Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504573 | 2emc RC | 10201 | 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 1H GLY 1 -9.013 -19.937 -12.877
2 HA2 GLY 1 1HA GLY 1 -9.358 -22.048 -10.877
3 HA3 GLY 1 2HA GLY 1 -7.981 -20.965 -11.014
4 H SER 2 H SER 2 -7.828 -19.474 -9.488
5 HA SER 2 HA SER 2 -10.191 -18.126 -8.490
6 HB2 SER 2 1HB SER 2 -9.963 -18.726 -6.211
7 HB3 SER 2 2HB SER 2 -9.836 -20.246 -7.095
8 HG SER 2 HG SER 2 -8.138 -20.308 -5.754
9 H SER 3 H SER 3 -9.759 -16.126 -7.593
10 HA SER 3 HA SER 3 -7.030 -15.157 -8.022
11 HB2 SER 3 1HB SER 3 -9.636 -13.664 -7.650
12 HB3 SER 3 2HB SER 3 -8.068 -12.894 -7.893
13 HG SER 3 HG SER 3 -7.977 -13.729 -9.934
14 H GLY 4 H GLY 4 -6.092 -15.988 -6.113
15 HA2 GLY 4 1HA GLY 4 -5.378 -14.666 -4.058
16 HA3 GLY 4 2HA GLY 4 -7.075 -14.771 -3.611
17 H SER 5 H SER 5 -4.286 -16.810 -4.446
18 HA SER 5 HA SER 5 -5.231 -19.253 -3.589
19 HB2 SER 5 1HB SER 5 -2.406 -18.210 -3.273
20 HB3 SER 5 2HB SER 5 -2.890 -19.906 -3.275
21 HG SER 5 HG SER 5 -3.087 -19.856 -5.383
22 H SER 6 H SER 6 -3.326 -16.947 -1.645
23 HA SER 6 HA SER 6 -3.387 -18.291 0.766
24 HB2 SER 6 1HB SER 6 -3.012 -16.107 1.833
25 HB3 SER 6 2HB SER 6 -2.036 -16.273 0.374
26 HG SER 6 HG SER 6 -4.012 -14.488 0.950
27 H GLY 7 H GLY 7 -4.680 -18.051 2.663
28 HA2 GLY 7 1HA GLY 7 -7.503 -17.918 2.053
29 HA3 GLY 7 2HA GLY 7 -6.786 -18.358 3.596
30 H THR 8 H THR 8 -5.439 -16.302 4.473
31 HA THR 8 HA THR 8 -7.482 -14.302 4.931
32 HB THR 8 HB THR 8 -5.819 -13.344 6.545
33 HG1 THR 8 HG1 THR 8 -4.059 -14.587 5.227
34 HG21 THR 8 3HG2 THR 8 -6.864 -16.130 6.695
35 HG22 THR 8 1HG2 THR 8 -7.298 -14.712 7.648
36 HG23 THR 8 2HG2 THR 8 -5.789 -15.565 7.973
37 H LYS 9 H LYS 9 -6.297 -11.975 5.298
38 HA LYS 9 HA LYS 9 -5.647 -10.084 4.209
39 HB2 LYS 9 1HB LYS 9 -3.607 -12.106 3.356
40 HB3 LYS 9 2HB LYS 9 -3.574 -10.493 2.656
41 HG2 LYS 9 1HG LYS 9 -3.080 -9.483 4.688
42 HG3 LYS 9 2HG LYS 9 -3.642 -10.871 5.624
43 HD2 LYS 9 1HD LYS 9 -1.254 -10.991 3.794
44 HD3 LYS 9 2HD LYS 9 -1.133 -10.546 5.498
45 HE2 LYS 9 1HE LYS 9 -2.478 -12.767 5.853
46 HE3 LYS 9 2HE LYS 9 -1.841 -13.168 4.259
47 HZ1 LYS 9 3HZ LYS 9 0.354 -13.034 5.038
48 HZ2 LYS 9 1HZ LYS 9 -0.478 -13.900 6.230
49 HZ3 LYS 9 2HZ LYS 9 -0.099 -12.270 6.478
50 H GLU 10 H GLU 10 -7.864 -11.120 3.087
51 HA GLU 10 HA GLU 10 -7.402 -11.044 0.184
52 HB2 GLU 10 1HB GLU 10 -9.461 -12.187 -0.108
53 HB3 GLU 10 2HB GLU 10 -8.623 -13.010 1.200
54 HG2 GLU 10 1HG GLU 10 -10.528 -10.849 1.907
55 HG3 GLU 10 2HG GLU 10 -11.180 -12.388 1.350
56 H HIS 11 H HIS 11 -7.387 -8.681 1.866
57 HA HIS 11 HA HIS 11 -9.897 -7.327 1.453
58 HB2 HIS 11 1HB HIS 11 -7.217 -6.250 2.356
59 HB3 HIS 11 2HB HIS 11 -8.742 -5.371 2.407
60 HD1 HIS 11 HD1 HIS 11 -8.227 -5.193 5.024
61 HD2 HIS 11 HD2 HIS 11 -9.081 -8.999 3.593
62 HE1 HIS 11 HE1 HIS 11 -8.775 -6.568 7.057
63 HA PRO 12 HA PRO 12 -9.129 -5.770 -2.588
64 HB2 PRO 12 1HB PRO 12 -10.720 -3.571 -2.525
65 HB3 PRO 12 2HB PRO 12 -11.358 -5.216 -2.638
66 HG2 PRO 12 1HG PRO 12 -11.106 -3.444 -0.239
67 HG3 PRO 12 2HG PRO 12 -12.456 -4.487 -0.722
68 HD2 PRO 12 1HD PRO 12 -10.661 -5.211 1.172
69 HD3 PRO 12 2HD PRO 12 -11.445 -6.388 0.099
70 H PHE 13 H PHE 13 -8.223 -4.136 0.248
71 HA PHE 13 HA PHE 13 -6.649 -2.204 -1.325
72 HB2 PHE 13 1HB PHE 13 -7.678 -1.785 1.488
73 HB3 PHE 13 2HB PHE 13 -6.827 -0.612 0.488
74 HD1 PHE 13 HD2 PHE 13 -7.957 0.138 -1.673
75 HD2 PHE 13 HD1 PHE 13 -9.996 -1.915 1.448
76 HE1 PHE 13 HE2 PHE 13 -10.108 0.956 -2.545
77 HE2 PHE 13 HE1 PHE 13 -12.150 -1.102 0.581
78 HZ PHE 13 HZ PHE 13 -12.208 0.337 -1.417
79 H LYS 14 H LYS 14 -4.527 -2.454 -1.174
80 HA LYS 14 HA LYS 14 -3.379 -3.553 1.290
81 HB2 LYS 14 1HB LYS 14 -3.477 -5.476 -0.108
82 HB3 LYS 14 2HB LYS 14 -2.917 -4.574 -1.509
83 HG2 LYS 14 1HG LYS 14 -1.127 -4.732 0.853
84 HG3 LYS 14 2HG LYS 14 -1.320 -6.172 -0.150
85 HD2 LYS 14 1HD LYS 14 -0.834 -4.620 -2.133
86 HD3 LYS 14 2HD LYS 14 -0.259 -3.470 -0.924
87 HE2 LYS 14 1HE LYS 14 1.419 -4.992 -0.171
88 HE3 LYS 14 2HE LYS 14 0.748 -6.300 -1.144
89 HZ1 LYS 14 3HZ LYS 14 2.475 -5.606 -2.449
90 HZ2 LYS 14 1HZ LYS 14 2.338 -3.983 -1.991
91 HZ3 LYS 14 2HZ LYS 14 1.230 -4.650 -3.080
92 H CYS 15 H CYS 15 -1.879 -2.212 2.022
93 HA CYS 15 HA CYS 15 -0.922 0.005 0.582
94 HB2 CYS 15 1HB CYS 15 -1.023 -0.065 3.040
95 HB3 CYS 15 2HB CYS 15 0.239 -1.292 3.057
96 H ASN 16 H ASN 16 0.878 0.360 -0.606
97 HA ASN 16 HA ASN 16 2.476 -1.990 -1.303
98 HB2 ASN 16 1HB ASN 16 1.299 -0.369 -2.995
99 HB3 ASN 16 2HB ASN 16 2.706 0.649 -2.706
100 HD21 ASN 16 1HD2 ASN 16 4.830 -0.663 -2.790
101 HD22 ASN 16 2HD2 ASN 16 4.990 -1.708 -4.156
102 H GLU 17 H GLU 17 2.644 0.828 0.567
103 HA GLU 17 HA GLU 17 5.448 1.332 0.327
104 HB2 GLU 17 1HB GLU 17 3.625 2.132 2.597
105 HB3 GLU 17 2HB GLU 17 5.158 2.870 2.155
106 HG2 GLU 17 1HG GLU 17 4.031 3.399 -0.085
107 HG3 GLU 17 2HG GLU 17 2.521 3.035 0.750
108 H CYS 18 H CYS 18 3.411 -0.466 2.584
109 HA CYS 18 HA CYS 18 5.859 -1.600 3.774
110 HB2 CYS 18 1HB CYS 18 4.588 -1.931 5.849
111 HB3 CYS 18 2HB CYS 18 4.629 -0.231 5.391
112 H GLY 19 H GLY 19 2.458 -2.268 2.979
113 HA2 GLY 19 1HA GLY 19 2.141 -4.308 1.579
114 HA3 GLY 19 2HA GLY 19 3.194 -5.120 2.728
115 H LYS 20 H LYS 20 0.968 -2.811 3.975
116 HA LYS 20 HA LYS 20 -0.374 -4.848 5.496
117 HB2 LYS 20 1HB LYS 20 -0.371 -1.874 5.420
118 HB3 LYS 20 2HB LYS 20 -1.791 -2.663 6.095
119 HG2 LYS 20 1HG LYS 20 -0.126 -3.972 7.545
120 HG3 LYS 20 2HG LYS 20 1.039 -2.735 7.068
121 HD2 LYS 20 1HD LYS 20 -0.193 -1.023 8.102
122 HD3 LYS 20 2HD LYS 20 -1.642 -2.023 8.223
123 HE2 LYS 20 1HE LYS 20 -0.485 -3.470 9.839
124 HE3 LYS 20 2HE LYS 20 0.937 -2.433 9.735
125 HZ1 LYS 20 3HZ LYS 20 -0.246 -0.645 10.702
126 HZ2 LYS 20 1HZ LYS 20 -0.558 -1.998 11.668
127 HZ3 LYS 20 2HZ LYS 20 -1.729 -1.449 10.578
128 H THR 21 H THR 21 -2.894 -4.464 5.716
129 HA THR 21 HA THR 21 -4.154 -4.035 3.123
130 HB THR 21 HB THR 21 -5.384 -6.183 3.235
131 HG1 THR 21 HG1 THR 21 -4.181 -7.782 4.670
132 HG21 THR 21 3HG2 THR 21 -3.760 -7.383 2.136
133 HG22 THR 21 1HG2 THR 21 -2.498 -6.937 3.284
134 HG23 THR 21 2HG2 THR 21 -3.050 -5.770 2.082
135 H PHE 22 H PHE 22 -6.206 -3.277 3.271
136 HA PHE 22 HA PHE 22 -7.536 -3.374 5.887
137 HB2 PHE 22 1HB PHE 22 -7.479 -0.880 4.189
138 HB3 PHE 22 2HB PHE 22 -8.072 -1.050 5.838
139 HD1 PHE 22 HD2 PHE 22 -4.959 -1.377 3.825
140 HD2 PHE 22 HD1 PHE 22 -6.701 -0.485 7.605
141 HE1 PHE 22 HE2 PHE 22 -2.750 -0.714 4.682
142 HE2 PHE 22 HE1 PHE 22 -4.495 0.182 8.468
143 HZ PHE 22 HZ PHE 22 -2.516 0.067 7.006
144 H SER 23 H SER 23 -9.710 -3.659 5.824
145 HA SER 23 HA SER 23 -10.911 -4.726 3.547
146 HB2 SER 23 1HB SER 23 -11.683 -5.090 5.895
147 HB3 SER 23 2HB SER 23 -12.339 -3.453 5.893
148 HG SER 23 HG SER 23 -13.979 -4.125 4.761
149 H HIS 24 H HIS 24 -11.258 -1.486 4.968
150 HA HIS 24 HA HIS 24 -12.582 -0.606 2.495
151 HB2 HIS 24 1HB HIS 24 -12.724 0.296 5.337
152 HB3 HIS 24 2HB HIS 24 -13.004 1.484 4.067
153 HD1 HIS 24 HD1 HIS 24 -14.982 -0.216 6.221
154 HD2 HIS 24 HD2 HIS 24 -14.907 -0.175 2.068
155 HE1 HIS 24 HE1 HIS 24 -17.272 -0.963 5.500
156 H SER 25 H SER 25 -11.952 1.383 1.523
157 HA SER 25 HA SER 25 -9.161 1.729 1.328
158 HB2 SER 25 1HB SER 25 -10.743 2.260 -0.503
159 HB3 SER 25 2HB SER 25 -11.349 3.624 0.436
160 HG SER 25 HG SER 25 -8.957 3.331 -0.946
161 H ALA 26 H ALA 26 -11.657 3.859 2.720
162 HA ALA 26 HA ALA 26 -10.321 5.991 3.596
163 HB1 ALA 26 3HB ALA 26 -12.696 5.428 4.126
164 HB2 ALA 26 1HB ALA 26 -12.105 4.432 5.456
165 HB3 ALA 26 2HB ALA 26 -11.808 6.171 5.456
166 H HIS 27 H HIS 27 -10.066 2.779 5.041
167 HA HIS 27 HA HIS 27 -8.425 3.540 7.220
168 HB2 HIS 27 1HB HIS 27 -8.712 0.855 5.856
169 HB3 HIS 27 2HB HIS 27 -7.927 1.123 7.409
170 HD1 HIS 27 HD1 HIS 27 -10.856 -0.274 6.324
171 HD2 HIS 27 HD2 HIS 27 -10.096 2.780 9.036
172 HE1 HIS 27 HE1 HIS 27 -12.894 -0.156 7.793
173 H LEU 28 H LEU 28 -7.653 2.070 4.071
174 HA LEU 28 HA LEU 28 -4.879 1.965 4.402
175 HB2 LEU 28 1HB LEU 28 -5.801 0.735 2.628
176 HB3 LEU 28 2HB LEU 28 -6.644 2.142 1.983
177 HG LEU 28 HG LEU 28 -4.470 3.088 1.291
178 HD11 LEU 28 1HD1 LEU 28 -3.441 1.130 3.022
179 HD12 LEU 28 2HD1 LEU 28 -2.544 2.282 2.033
180 HD13 LEU 28 3HD1 LEU 28 -2.925 0.682 1.396
181 HD21 LEU 28 3HD2 LEU 28 -5.969 1.385 -0.047
182 HD22 LEU 28 1HD2 LEU 28 -4.549 0.352 0.124
183 HD23 LEU 28 2HD2 LEU 28 -4.408 1.918 -0.674
184 H SER 29 H SER 29 -6.731 4.363 2.513
185 HA SER 29 HA SER 29 -4.755 6.115 1.865
186 HB2 SER 29 1HB SER 29 -6.432 7.848 1.725
187 HB3 SER 29 2HB SER 29 -7.171 6.323 1.234
188 HG SER 29 HG SER 29 -7.842 7.966 3.264
189 H LYS 30 H LYS 30 -6.503 5.986 4.945
190 HA LYS 30 HA LYS 30 -5.200 8.217 6.110
191 HB2 LYS 30 1HB LYS 30 -7.380 6.949 6.813
192 HB3 LYS 30 2HB LYS 30 -6.276 5.949 7.748
193 HG2 LYS 30 1HG LYS 30 -5.733 7.648 9.187
194 HG3 LYS 30 2HG LYS 30 -6.113 8.910 8.013
195 HD2 LYS 30 1HD LYS 30 -7.859 9.055 9.550
196 HD3 LYS 30 2HD LYS 30 -8.545 8.088 8.242
197 HE2 LYS 30 1HE LYS 30 -8.046 6.046 9.500
198 HE3 LYS 30 2HE LYS 30 -7.364 7.016 10.804
199 HZ1 LYS 30 3HZ LYS 30 -9.652 8.128 10.838
200 HZ2 LYS 30 1HZ LYS 30 -9.514 6.579 11.503
201 HZ3 LYS 30 2HZ LYS 30 -10.181 6.782 9.962
202 H HIS 31 H HIS 31 -4.585 4.732 6.213
203 HA HIS 31 HA HIS 31 -2.436 4.871 8.058
204 HB2 HIS 31 1HB HIS 31 -3.303 2.735 7.924
205 HB3 HIS 31 2HB HIS 31 -3.492 2.808 6.174
206 HD1 HIS 31 HD1 HIS 31 -0.990 2.029 8.842
207 HD2 HIS 31 HD2 HIS 31 -1.256 2.012 4.696
208 HE1 HIS 31 HE1 HIS 31 1.042 0.783 8.043
209 H GLN 32 H GLN 32 -2.694 5.757 4.804
210 HA GLN 32 HA GLN 32 0.023 5.225 4.042
211 HB2 GLN 32 1HB GLN 32 -2.202 6.829 2.795
212 HB3 GLN 32 2HB GLN 32 -0.587 6.769 2.100
213 HG2 GLN 32 1HG GLN 32 -0.925 4.194 2.222
214 HG3 GLN 32 2HG GLN 32 -2.635 4.614 2.319
215 HE21 GLN 32 1HE2 GLN 32 -0.447 3.590 0.244
216 HE22 GLN 32 2HE2 GLN 32 -0.979 4.351 -1.212
217 H LEU 33 H LEU 33 -1.773 7.962 5.316
218 HA LEU 33 HA LEU 33 0.063 10.002 4.877
219 HB2 LEU 33 1HB LEU 33 -1.769 9.612 7.239
220 HB3 LEU 33 2HB LEU 33 -0.973 11.123 6.805
221 HG LEU 33 HG LEU 33 -2.879 9.755 4.930
222 HD11 LEU 33 1HD1 LEU 33 -3.484 11.065 7.448
223 HD12 LEU 33 2HD1 LEU 33 -4.529 10.135 6.375
224 HD13 LEU 33 3HD1 LEU 33 -4.261 11.851 6.074
225 HD21 LEU 33 3HD2 LEU 33 -2.706 11.611 3.673
226 HD22 LEU 33 1HD2 LEU 33 -1.187 11.833 4.542
227 HD23 LEU 33 2HD2 LEU 33 -2.639 12.681 5.074
228 H ILE 34 H ILE 34 0.226 7.316 7.015
229 HA ILE 34 HA ILE 34 2.062 8.418 8.897
230 HB ILE 34 HB ILE 34 2.179 6.320 9.863
231 HG12 ILE 34 1HG1 ILE 34 1.748 5.247 7.082
232 HG13 ILE 34 2HG1 ILE 34 3.124 4.997 8.151
233 HG21 ILE 34 1HG2 ILE 34 -0.403 5.975 8.373
234 HG22 ILE 34 2HG2 ILE 34 -0.024 5.542 10.039
235 HG23 ILE 34 3HG2 ILE 34 -0.187 7.238 9.583
236 HD11 ILE 34 3HD1 ILE 34 1.716 3.003 7.923
237 HD12 ILE 34 1HD1 ILE 34 1.796 3.586 9.586
238 HD13 ILE 34 2HD1 ILE 34 0.361 3.900 8.609
239 H HIS 35 H HIS 35 2.367 6.841 5.799
240 HA HIS 35 HA HIS 35 5.179 6.330 6.028
241 HB2 HIS 35 1HB HIS 35 3.212 6.233 3.753
242 HB3 HIS 35 2HB HIS 35 4.938 6.016 3.478
243 HD1 HIS 35 HD1 HIS 35 5.981 4.035 5.175
244 HD2 HIS 35 HD2 HIS 35 1.949 3.891 4.182
245 HE1 HIS 35 HE1 HIS 35 5.262 1.666 5.622
246 H ALA 36 H ALA 36 3.205 8.992 5.025
247 HA ALA 36 HA ALA 36 5.396 10.350 3.685
248 HB1 ALA 36 3HB ALA 36 2.991 11.917 4.223
249 HB2 ALA 36 1HB ALA 36 3.826 11.603 2.702
250 HB3 ALA 36 2HB ALA 36 2.683 10.421 3.341
251 H GLY 37 H GLY 37 6.230 9.886 6.182
252 HA2 GLY 37 1HA GLY 37 6.803 10.824 8.223
253 HA3 GLY 37 2HA GLY 37 7.166 12.201 7.193
254 H GLU 38 H GLU 38 4.815 10.759 9.344
255 HA GLU 38 HA GLU 38 3.553 13.405 9.618
256 HB2 GLU 38 1HB GLU 38 2.293 10.745 9.172
257 HB3 GLU 38 2HB GLU 38 1.485 11.852 10.274
258 HG2 GLU 38 1HG GLU 38 2.280 12.585 7.470
259 HG3 GLU 38 2HG GLU 38 0.700 11.937 7.904
260 H ASN 39 H ASN 39 5.685 12.392 11.180
261 HA ASN 39 HA ASN 39 4.670 12.834 13.777
262 HB2 ASN 39 1HB ASN 39 5.368 10.538 14.685
263 HB3 ASN 39 2HB ASN 39 3.836 10.628 13.821
264 HD21 ASN 39 1HD2 ASN 39 3.939 8.410 13.388
265 HD22 ASN 39 2HD2 ASN 39 4.988 7.774 12.170
266 HA PRO 40 HA PRO 40 8.898 13.899 14.344
267 HB2 PRO 40 1HB PRO 40 9.022 13.880 17.056
268 HB3 PRO 40 2HB PRO 40 8.195 15.147 16.141
269 HG2 PRO 40 1HG PRO 40 7.047 12.751 17.522
270 HG3 PRO 40 2HG PRO 40 6.450 14.421 17.496
271 HD2 PRO 40 1HD PRO 40 5.399 12.475 15.935
272 HD3 PRO 40 2HD PRO 40 5.473 14.173 15.424
273 H SER 41 H SER 41 10.580 12.610 13.978
274 HA SER 41 HA SER 41 10.657 9.876 14.660
275 HB2 SER 41 1HB SER 41 12.949 9.912 13.817
276 HB3 SER 41 2HB SER 41 11.903 10.854 12.754
277 HG SER 41 HG SER 41 13.502 11.963 14.820
278 H GLY 42 H GLY 42 12.929 9.124 15.730
279 HA2 GLY 42 1HA GLY 42 13.930 10.566 17.922
280 HA3 GLY 42 2HA GLY 42 12.611 9.553 18.489
281 HA PRO 43 HA PRO 43 15.441 6.235 18.960
282 HB2 PRO 43 1HB PRO 43 13.761 4.120 18.683
283 HB3 PRO 43 2HB PRO 43 13.775 5.155 20.117
284 HG2 PRO 43 1HG PRO 43 11.927 5.206 17.762
285 HG3 PRO 43 2HG PRO 43 11.547 5.365 19.487
286 HD2 PRO 43 1HD PRO 43 11.710 7.499 17.828
287 HD3 PRO 43 2HD PRO 43 12.154 7.588 19.544
288 H SER 44 H SER 44 13.753 6.789 16.053
289 HA SER 44 HA SER 44 14.407 4.588 14.489
290 HB2 SER 44 1HB SER 44 12.892 6.328 13.700
291 HB3 SER 44 2HB SER 44 14.212 7.497 13.671
292 HG SER 44 HG SER 44 14.526 6.830 11.712
293 H SER 45 H SER 45 16.099 4.188 13.009
294 HA SER 45 HA SER 45 18.456 5.828 12.979
295 HB2 SER 45 1HB SER 45 18.413 3.244 14.526
296 HB3 SER 45 2HB SER 45 19.905 3.871 13.826
297 HG SER 45 HG SER 45 18.590 4.658 16.059
298 H GLY 46 H GLY 46 18.838 5.791 10.862
299 HA2 GLY 46 1HA GLY 46 18.296 3.395 9.303
300 HA3 GLY 46 2HA GLY 46 18.762 4.968 8.673
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 12.428 -21.674 14.502
2 HA2 GLY 1 1HA GLY 1 10.443 -22.648 13.847
3 HA3 GLY 1 2HA GLY 1 9.935 -22.625 15.529
4 H SER 2 H SER 2 9.610 -20.190 16.297
5 HA SER 2 HA SER 2 7.912 -18.626 16.248
6 HB2 SER 2 1HB SER 2 10.021 -17.637 15.157
7 HB3 SER 2 2HB SER 2 9.173 -17.844 13.624
8 HG SER 2 HG SER 2 7.471 -16.554 14.536
9 H SER 3 H SER 3 6.908 -21.016 15.277
10 HA SER 3 HA SER 3 5.760 -21.048 12.770
11 HB2 SER 3 1HB SER 3 5.572 -23.008 14.096
12 HB3 SER 3 2HB SER 3 4.774 -22.137 15.406
13 HG SER 3 HG SER 3 3.731 -23.157 13.056
14 H GLY 4 H GLY 4 4.664 -19.447 11.837
15 HA2 GLY 4 1HA GLY 4 2.184 -18.548 12.992
16 HA3 GLY 4 2HA GLY 4 3.418 -17.298 12.953
17 H SER 5 H SER 5 0.782 -18.177 11.410
18 HA SER 5 HA SER 5 1.846 -17.479 8.750
19 HB2 SER 5 1HB SER 5 0.873 -19.803 8.973
20 HB3 SER 5 2HB SER 5 -0.688 -19.043 9.277
21 HG SER 5 HG SER 5 0.894 -18.924 6.934
22 H SER 6 H SER 6 1.569 -15.279 8.888
23 HA SER 6 HA SER 6 -0.559 -13.892 9.984
24 HB2 SER 6 1HB SER 6 1.346 -13.245 7.748
25 HB3 SER 6 2HB SER 6 0.068 -12.116 8.198
26 HG SER 6 HG SER 6 1.631 -13.154 10.254
27 H GLY 7 H GLY 7 -2.650 -14.170 9.570
28 HA2 GLY 7 1HA GLY 7 -3.486 -14.830 6.831
29 HA3 GLY 7 2HA GLY 7 -4.447 -15.071 8.283
30 H THR 8 H THR 8 -6.246 -13.978 7.557
31 HA THR 8 HA THR 8 -7.549 -12.215 6.871
32 HB THR 8 HB THR 8 -7.327 -10.213 8.297
33 HG1 THR 8 HG1 THR 8 -5.581 -10.496 9.982
34 HG21 THR 8 3HG2 THR 8 -8.580 -11.685 9.489
35 HG22 THR 8 1HG2 THR 8 -7.171 -11.664 10.549
36 HG23 THR 8 2HG2 THR 8 -7.375 -12.968 9.378
37 H LYS 9 H LYS 9 -5.700 -12.583 4.947
38 HA LYS 9 HA LYS 9 -4.891 -9.837 4.243
39 HB2 LYS 9 1HB LYS 9 -3.459 -12.446 3.808
40 HB3 LYS 9 2HB LYS 9 -3.129 -11.048 2.792
41 HG2 LYS 9 1HG LYS 9 -2.834 -9.867 5.140
42 HG3 LYS 9 2HG LYS 9 -2.478 -11.521 5.646
43 HD2 LYS 9 1HD LYS 9 -1.148 -10.241 3.271
44 HD3 LYS 9 2HD LYS 9 -0.505 -10.091 4.908
45 HE2 LYS 9 1HE LYS 9 0.647 -11.930 4.173
46 HE3 LYS 9 2HE LYS 9 -0.758 -12.704 4.903
47 HZ1 LYS 9 3HZ LYS 9 -1.751 -12.580 2.575
48 HZ2 LYS 9 1HZ LYS 9 -0.537 -13.727 2.844
49 HZ3 LYS 9 2HZ LYS 9 -0.174 -12.285 2.039
50 H GLU 10 H GLU 10 -7.394 -10.549 3.604
51 HA GLU 10 HA GLU 10 -7.233 -11.076 0.711
52 HB2 GLU 10 1HB GLU 10 -9.078 -12.209 2.766
53 HB3 GLU 10 2HB GLU 10 -9.708 -11.910 1.152
54 HG2 GLU 10 1HG GLU 10 -7.838 -13.287 0.247
55 HG3 GLU 10 2HG GLU 10 -7.411 -13.696 1.907
56 H HIS 11 H HIS 11 -7.228 -8.556 2.240
57 HA HIS 11 HA HIS 11 -9.830 -7.377 1.789
58 HB2 HIS 11 1HB HIS 11 -7.246 -6.015 2.571
59 HB3 HIS 11 2HB HIS 11 -8.871 -5.350 2.708
60 HD1 HIS 11 HD1 HIS 11 -7.759 -5.154 5.279
61 HD2 HIS 11 HD2 HIS 11 -9.103 -8.859 3.965
62 HE1 HIS 11 HE1 HIS 11 -8.105 -6.520 7.361
63 HA PRO 12 HA PRO 12 -9.143 -5.972 -2.320
64 HB2 PRO 12 1HB PRO 12 -10.804 -3.825 -2.350
65 HB3 PRO 12 2HB PRO 12 -11.390 -5.493 -2.377
66 HG2 PRO 12 1HG PRO 12 -11.177 -3.597 -0.070
67 HG3 PRO 12 2HG PRO 12 -12.497 -4.705 -0.490
68 HD2 PRO 12 1HD PRO 12 -10.666 -5.277 1.421
69 HD3 PRO 12 2HD PRO 12 -11.419 -6.530 0.415
70 H PHE 13 H PHE 13 -8.209 -4.224 0.416
71 HA PHE 13 HA PHE 13 -6.724 -2.311 -1.261
72 HB2 PHE 13 1HB PHE 13 -7.781 -1.779 1.523
73 HB3 PHE 13 2HB PHE 13 -6.928 -0.638 0.489
74 HD1 PHE 13 HD2 PHE 13 -8.026 0.104 -1.652
75 HD2 PHE 13 HD1 PHE 13 -10.101 -2.043 1.380
76 HE1 PHE 13 HE2 PHE 13 -10.171 0.855 -2.594
77 HE2 PHE 13 HE1 PHE 13 -12.250 -1.297 0.443
78 HZ PHE 13 HZ PHE 13 -12.287 0.155 -1.546
79 H LYS 14 H LYS 14 -4.590 -2.441 -1.080
80 HA LYS 14 HA LYS 14 -3.419 -3.439 1.418
81 HB2 LYS 14 1HB LYS 14 -3.544 -5.323 -0.175
82 HB3 LYS 14 2HB LYS 14 -2.625 -4.384 -1.344
83 HG2 LYS 14 1HG LYS 14 -0.908 -4.255 0.669
84 HG3 LYS 14 2HG LYS 14 -1.726 -5.751 1.126
85 HD2 LYS 14 1HD LYS 14 -1.324 -6.507 -1.277
86 HD3 LYS 14 2HD LYS 14 -0.213 -5.140 -1.400
87 HE2 LYS 14 1HE LYS 14 1.240 -6.029 0.198
88 HE3 LYS 14 2HE LYS 14 0.018 -7.130 0.831
89 HZ1 LYS 14 3HZ LYS 14 1.796 -8.163 -0.582
90 HZ2 LYS 14 1HZ LYS 14 1.118 -7.363 -1.910
91 HZ3 LYS 14 2HZ LYS 14 0.208 -8.505 -1.057
92 H CYS 15 H CYS 15 -1.746 -2.259 2.105
93 HA CYS 15 HA CYS 15 -0.961 0.083 0.691
94 HB2 CYS 15 1HB CYS 15 -1.032 -0.020 3.153
95 HB3 CYS 15 2HB CYS 15 0.279 -1.195 3.137
96 H ASN 16 H ASN 16 0.740 0.457 -0.603
97 HA ASN 16 HA ASN 16 2.410 -1.820 -1.329
98 HB2 ASN 16 1HB ASN 16 1.307 -0.515 -3.116
99 HB3 ASN 16 2HB ASN 16 2.198 0.916 -2.606
100 HD21 ASN 16 1HD2 ASN 16 2.748 0.693 -4.977
101 HD22 ASN 16 2HD2 ASN 16 4.176 -0.204 -5.354
102 H GLU 17 H GLU 17 2.553 0.937 0.624
103 HA GLU 17 HA GLU 17 5.349 1.493 0.361
104 HB2 GLU 17 1HB GLU 17 3.541 2.216 2.670
105 HB3 GLU 17 2HB GLU 17 5.056 2.988 2.222
106 HG2 GLU 17 1HG GLU 17 3.889 3.546 0.009
107 HG3 GLU 17 2HG GLU 17 2.398 3.141 0.857
108 H CYS 18 H CYS 18 3.380 -0.563 2.398
109 HA CYS 18 HA CYS 18 5.846 -1.659 3.572
110 HB2 CYS 18 1HB CYS 18 4.621 -2.042 5.681
111 HB3 CYS 18 2HB CYS 18 4.727 -0.331 5.282
112 H GLY 19 H GLY 19 2.430 -2.247 2.810
113 HA2 GLY 19 1HA GLY 19 2.020 -4.249 1.406
114 HA3 GLY 19 2HA GLY 19 3.110 -5.106 2.485
115 H LYS 20 H LYS 20 0.956 -2.809 3.880
116 HA LYS 20 HA LYS 20 -0.319 -4.848 5.439
117 HB2 LYS 20 1HB LYS 20 -0.379 -1.875 5.328
118 HB3 LYS 20 2HB LYS 20 -1.756 -2.685 6.063
119 HG2 LYS 20 1HG LYS 20 0.009 -3.947 7.453
120 HG3 LYS 20 2HG LYS 20 1.103 -2.660 6.940
121 HD2 LYS 20 1HD LYS 20 -0.056 -1.034 8.100
122 HD3 LYS 20 2HD LYS 20 -1.561 -1.956 8.096
123 HE2 LYS 20 1HE LYS 20 0.875 -2.843 9.619
124 HE3 LYS 20 2HE LYS 20 -0.332 -1.763 10.314
125 HZ1 LYS 20 3HZ LYS 20 -1.715 -3.452 10.661
126 HZ2 LYS 20 1HZ LYS 20 -0.414 -4.484 10.339
127 HZ3 LYS 20 2HZ LYS 20 -1.498 -4.080 9.105
128 H THR 21 H THR 21 -2.873 -4.317 5.743
129 HA THR 21 HA THR 21 -4.186 -4.056 3.159
130 HB THR 21 HB THR 21 -5.412 -6.162 3.358
131 HG1 THR 21 HG1 THR 21 -4.812 -6.144 5.811
132 HG21 THR 21 3HG2 THR 21 -3.469 -6.296 1.995
133 HG22 THR 21 1HG2 THR 21 -3.465 -7.738 3.009
134 HG23 THR 21 2HG2 THR 21 -2.406 -6.382 3.399
135 H PHE 22 H PHE 22 -6.343 -3.475 3.295
136 HA PHE 22 HA PHE 22 -7.589 -3.342 5.931
137 HB2 PHE 22 1HB PHE 22 -7.588 -0.885 4.197
138 HB3 PHE 22 2HB PHE 22 -7.983 -1.025 5.907
139 HD1 PHE 22 HD2 PHE 22 -5.128 -1.459 3.556
140 HD2 PHE 22 HD1 PHE 22 -6.412 -0.418 7.478
141 HE1 PHE 22 HE2 PHE 22 -2.825 -0.814 4.135
142 HE2 PHE 22 HE1 PHE 22 -4.112 0.230 8.063
143 HZ PHE 22 HZ PHE 22 -2.315 0.031 6.391
144 H SER 23 H SER 23 -9.769 -3.572 5.889
145 HA SER 23 HA SER 23 -11.019 -4.684 3.670
146 HB2 SER 23 1HB SER 23 -11.832 -4.941 5.993
147 HB3 SER 23 2HB SER 23 -12.345 -3.253 5.988
148 HG SER 23 HG SER 23 -13.958 -4.966 5.448
149 H HIS 24 H HIS 24 -11.374 -1.384 4.966
150 HA HIS 24 HA HIS 24 -12.607 -0.578 2.426
151 HB2 HIS 24 1HB HIS 24 -12.764 0.440 5.225
152 HB3 HIS 24 2HB HIS 24 -12.971 1.596 3.912
153 HD1 HIS 24 HD1 HIS 24 -14.686 -1.130 5.720
154 HD2 HIS 24 HD2 HIS 24 -15.271 1.128 2.282
155 HE1 HIS 24 HE1 HIS 24 -17.084 -1.513 5.064
156 H SER 25 H SER 25 -11.933 1.386 1.402
157 HA SER 25 HA SER 25 -9.137 1.633 1.171
158 HB2 SER 25 1HB SER 25 -10.801 2.199 -0.618
159 HB3 SER 25 2HB SER 25 -11.211 3.654 0.290
160 HG SER 25 HG SER 25 -8.758 2.985 -0.947
161 H ALA 26 H ALA 26 -11.540 3.846 2.594
162 HA ALA 26 HA ALA 26 -10.089 5.945 3.410
163 HB1 ALA 26 3HB ALA 26 -11.899 4.571 5.375
164 HB2 ALA 26 1HB ALA 26 -11.608 6.298 5.167
165 HB3 ALA 26 2HB ALA 26 -12.515 5.403 3.947
166 H HIS 27 H HIS 27 -10.025 2.754 4.929
167 HA HIS 27 HA HIS 27 -8.366 3.449 7.105
168 HB2 HIS 27 1HB HIS 27 -8.812 0.792 5.734
169 HB3 HIS 27 2HB HIS 27 -7.926 0.989 7.243
170 HD1 HIS 27 HD1 HIS 27 -11.035 -0.138 6.242
171 HD2 HIS 27 HD2 HIS 27 -9.853 2.658 9.080
172 HE1 HIS 27 HE1 HIS 27 -12.965 0.052 7.843
173 H LEU 28 H LEU 28 -7.655 2.180 3.876
174 HA LEU 28 HA LEU 28 -4.873 1.881 4.261
175 HB2 LEU 28 1HB LEU 28 -5.760 0.711 2.455
176 HB3 LEU 28 2HB LEU 28 -6.642 2.115 1.858
177 HG LEU 28 HG LEU 28 -4.488 3.119 1.161
178 HD11 LEU 28 1HD1 LEU 28 -2.625 2.326 2.074
179 HD12 LEU 28 2HD1 LEU 28 -2.800 0.918 1.026
180 HD13 LEU 28 3HD1 LEU 28 -3.448 0.883 2.666
181 HD21 LEU 28 3HD2 LEU 28 -4.472 2.029 -0.847
182 HD22 LEU 28 1HD2 LEU 28 -6.007 1.448 -0.201
183 HD23 LEU 28 2HD2 LEU 28 -4.569 0.430 -0.108
184 H SER 29 H SER 29 -6.658 4.399 2.467
185 HA SER 29 HA SER 29 -4.568 6.082 1.881
186 HB2 SER 29 1HB SER 29 -6.189 7.855 1.653
187 HB3 SER 29 2HB SER 29 -6.944 6.352 1.122
188 HG SER 29 HG SER 29 -8.281 7.615 2.527
189 H LYS 30 H LYS 30 -6.423 5.883 4.881
190 HA LYS 30 HA LYS 30 -5.213 8.112 6.143
191 HB2 LYS 30 1HB LYS 30 -7.370 6.698 6.736
192 HB3 LYS 30 2HB LYS 30 -6.236 5.806 7.742
193 HG2 LYS 30 1HG LYS 30 -5.611 7.919 8.853
194 HG3 LYS 30 2HG LYS 30 -6.835 8.753 7.893
195 HD2 LYS 30 1HD LYS 30 -8.013 8.336 9.820
196 HD3 LYS 30 2HD LYS 30 -8.414 6.900 8.875
197 HE2 LYS 30 1HE LYS 30 -7.840 5.968 10.900
198 HE3 LYS 30 2HE LYS 30 -6.304 5.898 10.037
199 HZ1 LYS 30 3HZ LYS 30 -5.402 7.535 11.317
200 HZ2 LYS 30 1HZ LYS 30 -6.452 6.850 12.454
201 HZ3 LYS 30 2HZ LYS 30 -6.888 8.273 11.650
202 H HIS 31 H HIS 31 -4.520 4.639 6.197
203 HA HIS 31 HA HIS 31 -2.405 4.817 8.087
204 HB2 HIS 31 1HB HIS 31 -3.213 2.665 7.970
205 HB3 HIS 31 2HB HIS 31 -3.436 2.728 6.224
206 HD1 HIS 31 HD1 HIS 31 -0.897 1.954 8.849
207 HD2 HIS 31 HD2 HIS 31 -1.192 2.001 4.706
208 HE1 HIS 31 HE1 HIS 31 1.144 0.745 8.016
209 H GLN 32 H GLN 32 -2.635 5.689 4.830
210 HA GLN 32 HA GLN 32 0.110 5.196 4.121
211 HB2 GLN 32 1HB GLN 32 -2.151 6.680 2.797
212 HB3 GLN 32 2HB GLN 32 -0.520 6.701 2.140
213 HG2 GLN 32 1HG GLN 32 -0.709 4.118 2.275
214 HG3 GLN 32 2HG GLN 32 -2.442 4.430 2.354
215 HE21 GLN 32 1HE2 GLN 32 -1.625 2.994 0.292
216 HE22 GLN 32 2HE2 GLN 32 -1.629 3.914 -1.170
217 H LEU 33 H LEU 33 -1.773 7.875 5.364
218 HA LEU 33 HA LEU 33 0.015 9.967 4.893
219 HB2 LEU 33 1HB LEU 33 -1.855 9.596 7.228
220 HB3 LEU 33 2HB LEU 33 -1.105 11.116 6.744
221 HG LEU 33 HG LEU 33 -2.943 9.600 4.912
222 HD11 LEU 33 1HD1 LEU 33 -4.781 10.942 5.692
223 HD12 LEU 33 2HD1 LEU 33 -3.740 11.761 6.855
224 HD13 LEU 33 3HD1 LEU 33 -4.102 10.046 7.051
225 HD21 LEU 33 3HD2 LEU 33 -1.497 12.134 4.872
226 HD22 LEU 33 1HD2 LEU 33 -3.208 12.292 4.475
227 HD23 LEU 33 2HD2 LEU 33 -2.185 11.198 3.544
228 H ILE 34 H ILE 34 0.261 7.299 7.004
229 HA ILE 34 HA ILE 34 2.005 8.506 8.932
230 HB ILE 34 HB ILE 34 2.131 6.444 9.967
231 HG12 ILE 34 1HG1 ILE 34 1.757 5.257 7.221
232 HG13 ILE 34 2HG1 ILE 34 3.148 5.109 8.289
233 HG21 ILE 34 1HG2 ILE 34 -0.410 6.046 8.411
234 HG22 ILE 34 2HG2 ILE 34 -0.065 5.591 10.079
235 HG23 ILE 34 3HG2 ILE 34 -0.235 7.292 9.647
236 HD11 ILE 34 3HD1 ILE 34 0.536 3.692 8.366
237 HD12 ILE 34 1HD1 ILE 34 2.173 3.057 8.531
238 HD13 ILE 34 2HD1 ILE 34 1.428 3.936 9.867
239 H HIS 35 H HIS 35 2.397 6.777 5.915
240 HA HIS 35 HA HIS 35 5.191 6.291 6.188
241 HB2 HIS 35 1HB HIS 35 3.263 6.224 3.885
242 HB3 HIS 35 2HB HIS 35 4.993 6.044 3.610
243 HD1 HIS 35 HD1 HIS 35 6.071 4.047 5.263
244 HD2 HIS 35 HD2 HIS 35 2.041 3.852 4.270
245 HE1 HIS 35 HE1 HIS 35 5.394 1.658 5.662
246 H ALA 36 H ALA 36 3.258 8.913 4.889
247 HA ALA 36 HA ALA 36 5.593 10.285 3.835
248 HB1 ALA 36 3HB ALA 36 3.190 11.881 3.889
249 HB2 ALA 36 1HB ALA 36 4.143 11.326 2.512
250 HB3 ALA 36 2HB ALA 36 2.885 10.291 3.190
251 H GLY 37 H GLY 37 6.882 11.101 5.392
252 HA2 GLY 37 1HA GLY 37 5.609 12.604 7.587
253 HA3 GLY 37 2HA GLY 37 7.208 11.879 7.662
254 H GLU 38 H GLU 38 5.442 14.693 7.029
255 HA GLU 38 HA GLU 38 7.699 15.969 5.657
256 HB2 GLU 38 1HB GLU 38 4.828 16.812 6.045
257 HB3 GLU 38 2HB GLU 38 6.055 17.878 5.375
258 HG2 GLU 38 1HG GLU 38 6.446 15.913 3.708
259 HG3 GLU 38 2HG GLU 38 4.823 15.434 4.200
260 H ASN 39 H ASN 39 9.012 16.013 7.572
261 HA ASN 39 HA ASN 39 8.811 18.460 8.992
262 HB2 ASN 39 1HB ASN 39 8.711 17.327 11.294
263 HB3 ASN 39 2HB ASN 39 7.200 17.473 10.400
264 HD21 ASN 39 1HD2 ASN 39 6.888 15.724 12.168
265 HD22 ASN 39 2HD2 ASN 39 7.103 14.098 11.626
266 HA PRO 40 HA PRO 40 13.127 17.761 9.390
267 HB2 PRO 40 1HB PRO 40 13.701 19.254 11.582
268 HB3 PRO 40 2HB PRO 40 13.305 19.965 10.013
269 HG2 PRO 40 1HG PRO 40 11.554 19.565 12.408
270 HG3 PRO 40 2HG PRO 40 11.679 20.972 11.336
271 HD2 PRO 40 1HD PRO 40 9.684 19.153 11.125
272 HD3 PRO 40 2HD PRO 40 10.341 20.018 9.720
273 H SER 41 H SER 41 13.623 15.693 9.920
274 HA SER 41 HA SER 41 13.108 14.718 12.619
275 HB2 SER 41 1HB SER 41 12.536 13.125 10.962
276 HB3 SER 41 2HB SER 41 14.035 13.392 10.074
277 HG SER 41 HG SER 41 14.298 11.517 11.209
278 H GLY 42 H GLY 42 15.897 14.817 10.389
279 HA2 GLY 42 1HA GLY 42 17.727 15.972 12.091
280 HA3 GLY 42 2HA GLY 42 17.780 14.255 12.462
281 HA PRO 43 HA PRO 43 20.375 13.396 9.038
282 HB2 PRO 43 1HB PRO 43 19.211 11.301 7.763
283 HB3 PRO 43 2HB PRO 43 19.993 11.151 9.341
284 HG2 PRO 43 1HG PRO 43 17.085 11.423 8.686
285 HG3 PRO 43 2HG PRO 43 17.871 10.355 9.862
286 HD2 PRO 43 1HD PRO 43 16.649 12.662 10.580
287 HD3 PRO 43 2HD PRO 43 18.067 12.025 11.439
288 H SER 44 H SER 44 20.446 13.023 6.589
289 HA SER 44 HA SER 44 18.375 14.671 5.291
290 HB2 SER 44 1HB SER 44 21.342 14.575 4.696
291 HB3 SER 44 2HB SER 44 20.154 15.469 3.748
292 HG SER 44 HG SER 44 20.625 17.003 5.118
293 H SER 45 H SER 45 20.951 12.321 4.540
294 HA SER 45 HA SER 45 19.270 11.275 2.370
295 HB2 SER 45 1HB SER 45 22.218 10.816 2.886
296 HB3 SER 45 2HB SER 45 21.311 10.276 1.473
297 HG SER 45 HG SER 45 21.379 12.233 0.671
298 H GLY 46 H GLY 46 17.961 9.735 3.166
299 HA2 GLY 46 1HA GLY 46 17.267 7.816 4.223
300 HA3 GLY 46 2HA GLY 46 18.851 7.194 3.787
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 4.473 -17.420 23.416
2 HA2 GLY 1 1HA GLY 1 4.089 -18.126 20.719
3 HA3 GLY 1 2HA GLY 1 2.819 -17.676 21.846
4 H SER 2 H SER 2 4.468 -16.806 19.058
5 HA SER 2 HA SER 2 3.252 -14.127 19.139
6 HB2 SER 2 1HB SER 2 5.612 -13.760 19.416
7 HB3 SER 2 2HB SER 2 5.994 -14.871 18.101
8 HG SER 2 HG SER 2 5.443 -13.388 16.661
9 H SER 3 H SER 3 1.473 -14.882 17.965
10 HA SER 3 HA SER 3 1.735 -16.303 15.511
11 HB2 SER 3 1HB SER 3 -0.612 -14.712 16.576
12 HB3 SER 3 2HB SER 3 -0.670 -15.863 15.241
13 HG SER 3 HG SER 3 -0.872 -16.342 17.856
14 H GLY 4 H GLY 4 1.384 -15.561 13.388
15 HA2 GLY 4 1HA GLY 4 1.755 -12.648 13.045
16 HA3 GLY 4 2HA GLY 4 2.606 -13.831 12.062
17 H SER 5 H SER 5 1.100 -15.407 10.889
18 HA SER 5 HA SER 5 -0.752 -13.815 9.359
19 HB2 SER 5 1HB SER 5 0.810 -15.517 8.351
20 HB3 SER 5 2HB SER 5 -0.186 -16.774 9.084
21 HG SER 5 HG SER 5 -0.926 -16.462 7.016
22 H SER 6 H SER 6 -2.959 -14.381 8.962
23 HA SER 6 HA SER 6 -4.225 -15.627 11.304
24 HB2 SER 6 1HB SER 6 -5.447 -13.758 9.259
25 HB3 SER 6 2HB SER 6 -6.221 -14.346 10.730
26 HG SER 6 HG SER 6 -3.770 -12.976 10.878
27 H GLY 7 H GLY 7 -4.891 -15.261 7.812
28 HA2 GLY 7 1HA GLY 7 -4.998 -17.334 6.475
29 HA3 GLY 7 2HA GLY 7 -5.850 -18.057 7.832
30 H THR 8 H THR 8 -6.789 -17.978 5.151
31 HA THR 8 HA THR 8 -8.502 -17.177 3.815
32 HB THR 8 HB THR 8 -9.548 -18.866 5.261
33 HG1 THR 8 HG1 THR 8 -11.199 -18.265 4.082
34 HG21 THR 8 3HG2 THR 8 -9.397 -18.216 7.458
35 HG22 THR 8 1HG2 THR 8 -11.065 -17.759 7.115
36 HG23 THR 8 2HG2 THR 8 -9.795 -16.535 7.103
37 H LYS 9 H LYS 9 -7.095 -14.972 4.588
38 HA LYS 9 HA LYS 9 -9.240 -13.002 4.960
39 HB2 LYS 9 1HB LYS 9 -6.694 -13.255 6.510
40 HB3 LYS 9 2HB LYS 9 -7.345 -11.652 6.197
41 HG2 LYS 9 1HG LYS 9 -8.963 -13.848 7.456
42 HG3 LYS 9 2HG LYS 9 -7.989 -12.710 8.390
43 HD2 LYS 9 1HD LYS 9 -9.314 -10.939 6.941
44 HD3 LYS 9 2HD LYS 9 -10.487 -12.254 6.836
45 HE2 LYS 9 1HE LYS 9 -10.394 -12.410 9.336
46 HE3 LYS 9 2HE LYS 9 -9.415 -10.944 9.329
47 HZ1 LYS 9 3HZ LYS 9 -11.223 -9.705 9.092
48 HZ2 LYS 9 1HZ LYS 9 -12.158 -11.091 9.353
49 HZ3 LYS 9 2HZ LYS 9 -11.774 -10.615 7.777
50 H GLU 10 H GLU 10 -9.321 -11.816 3.177
51 HA GLU 10 HA GLU 10 -6.835 -10.777 2.044
52 HB2 GLU 10 1HB GLU 10 -7.603 -12.892 0.820
53 HB3 GLU 10 2HB GLU 10 -8.960 -11.932 0.248
54 HG2 GLU 10 1HG GLU 10 -7.559 -10.485 -0.969
55 HG3 GLU 10 2HG GLU 10 -6.111 -11.088 -0.164
56 H HIS 11 H HIS 11 -7.001 -8.658 1.784
57 HA HIS 11 HA HIS 11 -9.687 -7.480 1.535
58 HB2 HIS 11 1HB HIS 11 -7.215 -5.988 2.392
59 HB3 HIS 11 2HB HIS 11 -8.902 -5.545 2.642
60 HD1 HIS 11 HD1 HIS 11 -7.028 -5.601 5.033
61 HD2 HIS 11 HD2 HIS 11 -9.293 -8.867 3.825
62 HE1 HIS 11 HE1 HIS 11 -7.260 -7.050 7.075
63 HA PRO 12 HA PRO 12 -8.711 -6.092 -2.524
64 HB2 PRO 12 1HB PRO 12 -10.425 -3.993 -2.693
65 HB3 PRO 12 2HB PRO 12 -10.958 -5.677 -2.762
66 HG2 PRO 12 1HG PRO 12 -10.985 -3.774 -0.451
67 HG3 PRO 12 2HG PRO 12 -12.234 -4.920 -0.971
68 HD2 PRO 12 1HD PRO 12 -10.546 -5.438 1.082
69 HD3 PRO 12 2HD PRO 12 -11.181 -6.713 0.023
70 H PHE 13 H PHE 13 -8.242 -4.162 0.273
71 HA PHE 13 HA PHE 13 -6.677 -2.212 -1.286
72 HB2 PHE 13 1HB PHE 13 -7.927 -1.883 1.450
73 HB3 PHE 13 2HB PHE 13 -6.970 -0.666 0.613
74 HD1 PHE 13 HD2 PHE 13 -7.852 0.428 -1.408
75 HD2 PHE 13 HD1 PHE 13 -10.205 -2.272 0.893
76 HE1 PHE 13 HE2 PHE 13 -9.887 1.277 -2.499
77 HE2 PHE 13 HE1 PHE 13 -12.244 -1.427 -0.195
78 HZ PHE 13 HZ PHE 13 -12.086 0.350 -1.893
79 H LYS 14 H LYS 14 -4.563 -2.512 -1.174
80 HA LYS 14 HA LYS 14 -3.398 -3.444 1.362
81 HB2 LYS 14 1HB LYS 14 -3.507 -5.248 -0.407
82 HB3 LYS 14 2HB LYS 14 -2.396 -4.276 -1.362
83 HG2 LYS 14 1HG LYS 14 -0.982 -4.363 0.876
84 HG3 LYS 14 2HG LYS 14 -1.910 -5.848 1.102
85 HD2 LYS 14 1HD LYS 14 -0.066 -6.629 -0.040
86 HD3 LYS 14 2HD LYS 14 -1.194 -6.329 -1.364
87 HE2 LYS 14 1HE LYS 14 0.613 -4.123 -0.517
88 HE3 LYS 14 2HE LYS 14 1.302 -5.460 -1.437
89 HZ1 LYS 14 3HZ LYS 14 -0.766 -3.525 -2.259
90 HZ2 LYS 14 1HZ LYS 14 -0.654 -5.032 -3.020
91 HZ3 LYS 14 2HZ LYS 14 0.658 -3.966 -3.060
92 H CYS 15 H CYS 15 -1.754 -2.248 2.095
93 HA CYS 15 HA CYS 15 -0.998 0.134 0.717
94 HB2 CYS 15 1HB CYS 15 -1.159 -0.044 3.197
95 HB3 CYS 15 2HB CYS 15 0.254 -1.095 3.181
96 H ASN 16 H ASN 16 0.476 0.303 -0.826
97 HA ASN 16 HA ASN 16 2.296 -1.852 -1.392
98 HB2 ASN 16 1HB ASN 16 1.190 -0.532 -3.184
99 HB3 ASN 16 2HB ASN 16 2.110 0.882 -2.677
100 HD21 ASN 16 1HD2 ASN 16 2.670 -2.520 -3.523
101 HD22 ASN 16 2HD2 ASN 16 4.077 -2.225 -4.482
102 H GLU 17 H GLU 17 2.374 0.843 0.617
103 HA GLU 17 HA GLU 17 5.148 1.500 0.379
104 HB2 GLU 17 1HB GLU 17 3.365 2.060 2.746
105 HB3 GLU 17 2HB GLU 17 4.811 2.933 2.260
106 HG2 GLU 17 1HG GLU 17 3.404 3.336 0.065
107 HG3 GLU 17 2HG GLU 17 2.057 3.063 1.168
108 H CYS 18 H CYS 18 3.229 -0.525 2.548
109 HA CYS 18 HA CYS 18 5.743 -1.690 3.551
110 HB2 CYS 18 1HB CYS 18 4.590 -2.094 5.708
111 HB3 CYS 18 2HB CYS 18 4.739 -0.381 5.331
112 H GLY 19 H GLY 19 2.317 -2.228 2.842
113 HA2 GLY 19 1HA GLY 19 1.912 -4.255 1.445
114 HA3 GLY 19 2HA GLY 19 2.920 -5.112 2.602
115 H LYS 20 H LYS 20 1.023 -2.791 4.124
116 HA LYS 20 HA LYS 20 -0.464 -4.705 5.572
117 HB2 LYS 20 1HB LYS 20 -0.404 -1.736 5.394
118 HB3 LYS 20 2HB LYS 20 -1.835 -2.472 6.103
119 HG2 LYS 20 1HG LYS 20 -0.009 -3.805 7.485
120 HG3 LYS 20 2HG LYS 20 0.950 -2.370 7.113
121 HD2 LYS 20 1HD LYS 20 -0.623 -0.940 8.176
122 HD3 LYS 20 2HD LYS 20 -1.812 -2.238 8.307
123 HE2 LYS 20 1HE LYS 20 0.048 -3.419 9.700
124 HE3 LYS 20 2HE LYS 20 0.690 -1.787 9.879
125 HZ1 LYS 20 3HZ LYS 20 -2.030 -1.642 10.401
126 HZ2 LYS 20 1HZ LYS 20 -0.758 -1.480 11.506
127 HZ3 LYS 20 2HZ LYS 20 -1.463 -2.995 11.242
128 H THR 21 H THR 21 -2.932 -4.471 5.777
129 HA THR 21 HA THR 21 -4.218 -4.044 3.181
130 HB THR 21 HB THR 21 -5.423 -6.160 3.293
131 HG1 THR 21 HG1 THR 21 -5.139 -7.569 4.940
132 HG21 THR 21 3HG2 THR 21 -3.057 -7.587 3.436
133 HG22 THR 21 1HG2 THR 21 -2.536 -5.960 3.000
134 HG23 THR 21 2HG2 THR 21 -3.716 -6.806 1.998
135 H PHE 22 H PHE 22 -6.389 -3.497 3.285
136 HA PHE 22 HA PHE 22 -7.660 -3.390 5.915
137 HB2 PHE 22 1HB PHE 22 -7.697 -0.963 4.135
138 HB3 PHE 22 2HB PHE 22 -8.145 -1.083 5.833
139 HD1 PHE 22 HD2 PHE 22 -5.254 -1.260 3.520
140 HD2 PHE 22 HD1 PHE 22 -6.593 -0.628 7.510
141 HE1 PHE 22 HE2 PHE 22 -2.990 -0.543 4.162
142 HE2 PHE 22 HE1 PHE 22 -4.331 0.091 8.159
143 HZ PHE 22 HZ PHE 22 -2.525 0.133 6.484
144 H SER 23 H SER 23 -9.812 -3.750 5.866
145 HA SER 23 HA SER 23 -11.007 -4.844 3.585
146 HB2 SER 23 1HB SER 23 -13.136 -4.684 4.889
147 HB3 SER 23 2HB SER 23 -11.813 -5.423 5.791
148 HG SER 23 HG SER 23 -11.533 -2.996 6.416
149 H HIS 24 H HIS 24 -10.786 -1.572 4.700
150 HA HIS 24 HA HIS 24 -12.437 -0.717 2.415
151 HB2 HIS 24 1HB HIS 24 -12.504 0.158 5.259
152 HB3 HIS 24 2HB HIS 24 -12.736 1.394 4.027
153 HD1 HIS 24 HD1 HIS 24 -14.969 0.452 6.029
154 HD2 HIS 24 HD2 HIS 24 -14.534 -0.846 2.107
155 HE1 HIS 24 HE1 HIS 24 -17.246 -0.353 5.331
156 H SER 25 H SER 25 -11.897 1.444 1.590
157 HA SER 25 HA SER 25 -9.079 1.709 1.235
158 HB2 SER 25 1HB SER 25 -9.591 3.433 -0.322
159 HB3 SER 25 2HB SER 25 -10.888 2.249 -0.478
160 HG SER 25 HG SER 25 -11.635 4.439 -0.350
161 H ALA 26 H ALA 26 -11.527 3.896 2.633
162 HA ALA 26 HA ALA 26 -10.141 6.003 3.483
163 HB1 ALA 26 3HB ALA 26 -11.984 4.476 5.316
164 HB2 ALA 26 1HB ALA 26 -11.589 6.193 5.404
165 HB3 ALA 26 2HB ALA 26 -12.509 5.567 4.034
166 H HIS 27 H HIS 27 -9.984 2.815 5.010
167 HA HIS 27 HA HIS 27 -8.315 3.550 7.161
168 HB2 HIS 27 1HB HIS 27 -8.606 0.865 5.799
169 HB3 HIS 27 2HB HIS 27 -7.855 1.136 7.368
170 HD1 HIS 27 HD1 HIS 27 -10.765 -0.254 6.224
171 HD2 HIS 27 HD2 HIS 27 -10.054 2.812 8.936
172 HE1 HIS 27 HE1 HIS 27 -12.836 -0.119 7.644
173 H LEU 28 H LEU 28 -7.576 2.174 3.970
174 HA LEU 28 HA LEU 28 -4.799 1.982 4.306
175 HB2 LEU 28 1HB LEU 28 -5.805 0.827 2.503
176 HB3 LEU 28 2HB LEU 28 -6.528 2.304 1.868
177 HG LEU 28 HG LEU 28 -4.300 3.104 1.221
178 HD11 LEU 28 1HD1 LEU 28 -2.472 2.242 2.124
179 HD12 LEU 28 2HD1 LEU 28 -2.815 0.698 1.344
180 HD13 LEU 28 3HD1 LEU 28 -3.439 1.027 2.960
181 HD21 LEU 28 3HD2 LEU 28 -5.448 0.568 0.196
182 HD22 LEU 28 1HD2 LEU 28 -3.855 1.042 -0.392
183 HD23 LEU 28 2HD2 LEU 28 -5.231 2.124 -0.608
184 H SER 29 H SER 29 -6.600 4.466 2.480
185 HA SER 29 HA SER 29 -4.551 6.191 1.922
186 HB2 SER 29 1HB SER 29 -6.928 6.434 1.166
187 HB3 SER 29 2HB SER 29 -7.323 7.068 2.763
188 HG SER 29 HG SER 29 -5.196 8.252 1.412
189 H LYS 30 H LYS 30 -6.385 5.937 4.929
190 HA LYS 30 HA LYS 30 -5.184 8.180 6.193
191 HB2 LYS 30 1HB LYS 30 -7.356 6.777 6.770
192 HB3 LYS 30 2HB LYS 30 -6.234 5.886 7.790
193 HG2 LYS 30 1HG LYS 30 -5.626 7.966 8.929
194 HG3 LYS 30 2HG LYS 30 -6.771 8.848 7.916
195 HD2 LYS 30 1HD LYS 30 -7.906 8.446 9.941
196 HD3 LYS 30 2HD LYS 30 -8.546 7.258 8.803
197 HE2 LYS 30 1HE LYS 30 -7.028 5.569 9.726
198 HE3 LYS 30 2HE LYS 30 -6.400 6.759 10.865
199 HZ1 LYS 30 3HZ LYS 30 -9.285 6.174 10.788
200 HZ2 LYS 30 1HZ LYS 30 -8.349 6.767 12.067
201 HZ3 LYS 30 2HZ LYS 30 -8.237 5.139 11.620
202 H HIS 31 H HIS 31 -4.515 4.703 6.244
203 HA HIS 31 HA HIS 31 -2.398 4.885 8.143
204 HB2 HIS 31 1HB HIS 31 -3.257 2.746 8.073
205 HB3 HIS 31 2HB HIS 31 -3.461 2.770 6.323
206 HD1 HIS 31 HD1 HIS 31 -0.945 2.049 8.993
207 HD2 HIS 31 HD2 HIS 31 -1.232 1.939 4.849
208 HE1 HIS 31 HE1 HIS 31 1.080 0.778 8.212
209 H GLN 32 H GLN 32 -2.633 5.687 4.868
210 HA GLN 32 HA GLN 32 0.102 5.135 4.159
211 HB2 GLN 32 1HB GLN 32 -2.140 6.619 2.804
212 HB3 GLN 32 2HB GLN 32 -0.513 6.588 2.140
213 HG2 GLN 32 1HG GLN 32 -0.808 3.989 2.424
214 HG3 GLN 32 2HG GLN 32 -2.519 4.409 2.357
215 HE21 GLN 32 1HE2 GLN 32 -0.282 3.186 0.521
216 HE22 GLN 32 2HE2 GLN 32 -0.649 3.893 -1.013
217 H LEU 33 H LEU 33 -1.745 7.879 5.319
218 HA LEU 33 HA LEU 33 0.073 9.929 4.792
219 HB2 LEU 33 1HB LEU 33 -1.828 9.630 7.113
220 HB3 LEU 33 2HB LEU 33 -1.020 11.126 6.651
221 HG LEU 33 HG LEU 33 -2.821 9.700 4.725
222 HD11 LEU 33 1HD1 LEU 33 -3.927 11.904 6.362
223 HD12 LEU 33 2HD1 LEU 33 -3.807 10.316 7.121
224 HD13 LEU 33 3HD1 LEU 33 -4.732 10.514 5.632
225 HD21 LEU 33 3HD2 LEU 33 -3.126 12.022 3.902
226 HD22 LEU 33 1HD2 LEU 33 -1.460 11.453 3.804
227 HD23 LEU 33 2HD2 LEU 33 -1.939 12.560 5.091
228 H ILE 34 H ILE 34 0.311 7.306 6.945
229 HA ILE 34 HA ILE 34 2.075 8.552 8.841
230 HB ILE 34 HB ILE 34 2.160 6.529 9.950
231 HG12 ILE 34 1HG1 ILE 34 1.760 5.247 7.250
232 HG13 ILE 34 2HG1 ILE 34 3.151 5.115 8.321
233 HG21 ILE 34 1HG2 ILE 34 -0.380 6.024 8.445
234 HG22 ILE 34 2HG2 ILE 34 -0.040 5.797 10.159
235 HG23 ILE 34 3HG2 ILE 34 -0.210 7.425 9.503
236 HD11 ILE 34 3HD1 ILE 34 1.400 4.040 9.943
237 HD12 ILE 34 1HD1 ILE 34 0.523 3.738 8.444
238 HD13 ILE 34 2HD1 ILE 34 2.151 3.094 8.658
239 H HIS 35 H HIS 35 2.408 6.814 5.841
240 HA HIS 35 HA HIS 35 5.204 6.259 6.133
241 HB2 HIS 35 1HB HIS 35 3.254 6.107 3.851
242 HB3 HIS 35 2HB HIS 35 4.980 5.893 3.573
243 HD1 HIS 35 HD1 HIS 35 6.049 3.956 5.293
244 HD2 HIS 35 HD2 HIS 35 2.002 3.777 4.372
245 HE1 HIS 35 HE1 HIS 35 5.346 1.598 5.811
246 H ALA 36 H ALA 36 3.280 8.841 4.747
247 HA ALA 36 HA ALA 36 5.525 10.124 3.477
248 HB1 ALA 36 3HB ALA 36 3.308 11.898 3.838
249 HB2 ALA 36 1HB ALA 36 3.934 11.183 2.352
250 HB3 ALA 36 2HB ALA 36 2.725 10.321 3.306
251 H GLY 37 H GLY 37 3.484 10.804 6.317
252 HA2 GLY 37 1HA GLY 37 3.824 12.171 8.132
253 HA3 GLY 37 2HA GLY 37 5.505 11.678 7.987
254 H GLU 38 H GLU 38 3.126 14.067 6.960
255 HA GLU 38 HA GLU 38 5.321 15.857 6.170
256 HB2 GLU 38 1HB GLU 38 3.655 17.136 4.938
257 HB3 GLU 38 2HB GLU 38 3.614 15.448 4.449
258 HG2 GLU 38 1HG GLU 38 1.711 15.205 6.147
259 HG3 GLU 38 2HG GLU 38 1.644 16.966 6.114
260 H ASN 39 H ASN 39 5.961 17.084 7.820
261 HA ASN 39 HA ASN 39 4.094 18.859 9.090
262 HB2 ASN 39 1HB ASN 39 5.642 17.113 10.982
263 HB3 ASN 39 2HB ASN 39 4.228 18.112 11.304
264 HD21 ASN 39 1HD2 ASN 39 2.237 17.262 11.084
265 HD22 ASN 39 2HD2 ASN 39 1.922 15.631 10.610
266 HA PRO 40 HA PRO 40 7.699 21.380 9.126
267 HB2 PRO 40 1HB PRO 40 6.943 23.215 10.978
268 HB3 PRO 40 2HB PRO 40 6.270 23.165 9.345
269 HG2 PRO 40 1HG PRO 40 5.125 22.104 11.899
270 HG3 PRO 40 2HG PRO 40 4.316 22.992 10.595
271 HD2 PRO 40 1HD PRO 40 4.141 20.303 10.852
272 HD3 PRO 40 2HD PRO 40 4.110 21.115 9.274
273 H SER 41 H SER 41 6.725 19.488 11.751
274 HA SER 41 HA SER 41 9.167 20.166 13.253
275 HB2 SER 41 1HB SER 41 7.155 20.592 14.563
276 HB3 SER 41 2HB SER 41 6.579 18.954 14.256
277 HG SER 41 HG SER 41 9.108 19.224 15.389
278 H GLY 42 H GLY 42 10.497 18.507 13.989
279 HA2 GLY 42 1HA GLY 42 9.823 15.749 13.374
280 HA3 GLY 42 2HA GLY 42 11.143 16.426 12.432
281 HA PRO 43 HA PRO 43 13.026 14.535 16.184
282 HB2 PRO 43 1HB PRO 43 15.178 13.535 14.863
283 HB3 PRO 43 2HB PRO 43 13.635 12.680 14.972
284 HG2 PRO 43 1HG PRO 43 14.727 14.339 12.733
285 HG3 PRO 43 2HG PRO 43 13.879 12.783 12.662
286 HD2 PRO 43 1HD PRO 43 12.647 15.139 12.148
287 HD3 PRO 43 2HD PRO 43 11.804 13.761 12.885
288 H SER 44 H SER 44 15.421 14.749 16.881
289 HA SER 44 HA SER 44 16.082 17.338 17.349
290 HB2 SER 44 1HB SER 44 17.191 15.402 18.420
291 HB3 SER 44 2HB SER 44 18.080 15.100 16.927
292 HG SER 44 HG SER 44 18.211 17.478 18.474
293 H SER 45 H SER 45 17.422 18.901 16.445
294 HA SER 45 HA SER 45 17.561 18.840 13.561
295 HB2 SER 45 1HB SER 45 16.926 20.862 15.027
296 HB3 SER 45 2HB SER 45 18.658 21.032 15.314
297 HG SER 45 HG SER 45 17.180 21.475 13.001
298 H GLY 46 H GLY 46 19.952 19.517 16.129
299 HA2 GLY 46 1HA GLY 46 21.978 18.202 14.436
300 HA3 GLY 46 2HA GLY 46 22.303 19.767 15.166
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 4.946 -22.518 10.349
2 HA2 GLY 1 1HA GLY 1 5.096 -19.613 10.423
3 HA3 GLY 1 2HA GLY 1 5.779 -20.375 8.993
4 H SER 2 H SER 2 3.682 -18.587 8.805
5 HA SER 2 HA SER 2 1.340 -20.292 8.288
6 HB2 SER 2 1HB SER 2 -0.018 -18.318 8.418
7 HB3 SER 2 2HB SER 2 1.071 -18.292 9.805
8 HG SER 2 HG SER 2 2.356 -16.798 8.719
9 H SER 3 H SER 3 3.374 -17.767 6.863
10 HA SER 3 HA SER 3 2.093 -18.077 4.276
11 HB2 SER 3 1HB SER 3 2.852 -15.843 5.172
12 HB3 SER 3 2HB SER 3 4.513 -16.396 4.959
13 HG SER 3 HG SER 3 2.559 -16.217 2.907
14 H GLY 4 H GLY 4 3.037 -18.934 2.446
15 HA2 GLY 4 1HA GLY 4 5.753 -19.943 2.532
16 HA3 GLY 4 2HA GLY 4 4.510 -21.186 2.517
17 H SER 5 H SER 5 3.195 -21.434 0.674
18 HA SER 5 HA SER 5 4.499 -21.103 -1.777
19 HB2 SER 5 1HB SER 5 1.604 -21.684 -1.131
20 HB3 SER 5 2HB SER 5 2.250 -21.707 -2.772
21 HG SER 5 HG SER 5 3.904 -23.188 -1.570
22 H SER 6 H SER 6 1.523 -19.470 -0.671
23 HA SER 6 HA SER 6 2.319 -17.139 -2.286
24 HB2 SER 6 1HB SER 6 0.108 -16.823 -3.070
25 HB3 SER 6 2HB SER 6 0.412 -18.550 -3.257
26 HG SER 6 HG SER 6 -0.896 -18.979 -1.578
27 H GLY 7 H GLY 7 1.568 -15.088 -1.524
28 HA2 GLY 7 1HA GLY 7 1.846 -14.692 1.222
29 HA3 GLY 7 2HA GLY 7 1.163 -13.521 0.103
30 H THR 8 H THR 8 0.078 -13.300 2.424
31 HA THR 8 HA THR 8 -2.470 -14.774 2.265
32 HB THR 8 HB THR 8 -2.656 -14.553 4.731
33 HG1 THR 8 HG1 THR 8 -0.367 -14.178 5.661
34 HG21 THR 8 3HG2 THR 8 -1.952 -16.677 4.158
35 HG22 THR 8 1HG2 THR 8 -0.638 -16.151 5.210
36 HG23 THR 8 2HG2 THR 8 -0.439 -16.102 3.458
37 H LYS 9 H LYS 9 -3.359 -13.071 1.013
38 HA LYS 9 HA LYS 9 -4.276 -10.834 2.643
39 HB2 LYS 9 1HB LYS 9 -3.805 -9.229 0.788
40 HB3 LYS 9 2HB LYS 9 -2.362 -9.867 1.563
41 HG2 LYS 9 1HG LYS 9 -3.378 -11.258 -0.855
42 HG3 LYS 9 2HG LYS 9 -2.575 -9.699 -1.058
43 HD2 LYS 9 1HD LYS 9 -1.317 -11.844 0.609
44 HD3 LYS 9 2HD LYS 9 -1.169 -11.879 -1.150
45 HE2 LYS 9 1HE LYS 9 -0.441 -9.387 -0.839
46 HE3 LYS 9 2HE LYS 9 -0.094 -9.899 0.812
47 HZ1 LYS 9 3HZ LYS 9 1.673 -11.091 0.158
48 HZ2 LYS 9 1HZ LYS 9 1.633 -10.104 -1.216
49 HZ3 LYS 9 2HZ LYS 9 0.932 -11.642 -1.260
50 H GLU 10 H GLU 10 -6.329 -10.198 2.185
51 HA GLU 10 HA GLU 10 -7.604 -11.323 -0.215
52 HB2 GLU 10 1HB GLU 10 -8.303 -12.763 1.555
53 HB3 GLU 10 2HB GLU 10 -8.623 -11.403 2.622
54 HG2 GLU 10 1HG GLU 10 -10.727 -12.128 1.928
55 HG3 GLU 10 2HG GLU 10 -10.398 -10.703 0.945
56 H HIS 11 H HIS 11 -7.695 -8.894 2.344
57 HA HIS 11 HA HIS 11 -9.821 -7.343 1.652
58 HB2 HIS 11 1HB HIS 11 -7.079 -6.327 2.430
59 HB3 HIS 11 2HB HIS 11 -8.579 -5.410 2.535
60 HD1 HIS 11 HD1 HIS 11 -7.844 -5.249 5.130
61 HD2 HIS 11 HD2 HIS 11 -9.058 -8.983 3.773
62 HE1 HIS 11 HE1 HIS 11 -8.363 -6.580 7.200
63 HA PRO 12 HA PRO 12 -9.166 -5.876 -2.445
64 HB2 PRO 12 1HB PRO 12 -10.726 -3.655 -2.364
65 HB3 PRO 12 2HB PRO 12 -11.389 -5.293 -2.430
66 HG2 PRO 12 1HG PRO 12 -11.034 -3.486 -0.069
67 HG3 PRO 12 2HG PRO 12 -12.413 -4.518 -0.491
68 HD2 PRO 12 1HD PRO 12 -10.566 -5.237 1.354
69 HD3 PRO 12 2HD PRO 12 -11.400 -6.420 0.328
70 H PHE 13 H PHE 13 -8.222 -4.139 0.343
71 HA PHE 13 HA PHE 13 -6.608 -2.317 -1.317
72 HB2 PHE 13 1HB PHE 13 -7.714 -1.745 1.440
73 HB3 PHE 13 2HB PHE 13 -6.754 -0.646 0.457
74 HD1 PHE 13 HD2 PHE 13 -7.713 0.316 -1.610
75 HD2 PHE 13 HD1 PHE 13 -10.042 -2.003 1.094
76 HE1 PHE 13 HE2 PHE 13 -9.770 1.202 -2.628
77 HE2 PHE 13 HE1 PHE 13 -12.103 -1.122 0.079
78 HZ PHE 13 HZ PHE 13 -11.969 0.484 -1.783
79 H LYS 14 H LYS 14 -4.494 -2.608 -1.139
80 HA LYS 14 HA LYS 14 -3.395 -3.617 1.391
81 HB2 LYS 14 1HB LYS 14 -3.449 -5.574 0.055
82 HB3 LYS 14 2HB LYS 14 -2.900 -4.708 -1.374
83 HG2 LYS 14 1HG LYS 14 -1.104 -4.776 0.989
84 HG3 LYS 14 2HG LYS 14 -1.284 -6.247 0.029
85 HD2 LYS 14 1HD LYS 14 -0.865 -4.646 -1.987
86 HD3 LYS 14 2HD LYS 14 -0.164 -3.589 -0.760
87 HE2 LYS 14 1HE LYS 14 1.216 -5.613 -0.050
88 HE3 LYS 14 2HE LYS 14 0.697 -6.356 -1.562
89 HZ1 LYS 14 3HZ LYS 14 2.146 -5.145 -2.708
90 HZ2 LYS 14 1HZ LYS 14 2.850 -4.715 -1.231
91 HZ3 LYS 14 2HZ LYS 14 1.695 -3.705 -1.943
92 H CYS 15 H CYS 15 -1.996 -2.174 2.126
93 HA CYS 15 HA CYS 15 -0.999 -0.001 0.703
94 HB2 CYS 15 1HB CYS 15 -1.064 -0.076 3.151
95 HB3 CYS 15 2HB CYS 15 0.168 -1.334 3.156
96 H ASN 16 H ASN 16 0.689 0.317 -0.616
97 HA ASN 16 HA ASN 16 2.331 -1.998 -1.303
98 HB2 ASN 16 1HB ASN 16 1.811 0.645 -2.657
99 HB3 ASN 16 2HB ASN 16 3.084 -0.445 -3.198
100 HD21 ASN 16 1HD2 ASN 16 -0.311 0.132 -3.022
101 HD22 ASN 16 2HD2 ASN 16 -0.802 -1.176 -4.038
102 H GLU 17 H GLU 17 2.504 0.836 0.541
103 HA GLU 17 HA GLU 17 5.279 1.414 0.220
104 HB2 GLU 17 1HB GLU 17 3.480 2.113 2.546
105 HB3 GLU 17 2HB GLU 17 5.010 2.876 2.137
106 HG2 GLU 17 1HG GLU 17 3.773 3.347 -0.140
107 HG3 GLU 17 2HG GLU 17 2.342 3.174 0.874
108 H CYS 18 H CYS 18 3.416 -0.689 2.303
109 HA CYS 18 HA CYS 18 5.929 -1.791 3.347
110 HB2 CYS 18 1HB CYS 18 4.899 -2.065 5.568
111 HB3 CYS 18 2HB CYS 18 5.004 -0.370 5.104
112 H GLY 19 H GLY 19 2.445 -2.268 2.887
113 HA2 GLY 19 1HA GLY 19 1.989 -4.358 1.538
114 HA3 GLY 19 2HA GLY 19 2.947 -5.176 2.764
115 H LYS 20 H LYS 20 1.133 -2.675 4.094
116 HA LYS 20 HA LYS 20 -0.396 -4.344 5.730
117 HB2 LYS 20 1HB LYS 20 -0.633 -1.437 4.989
118 HB3 LYS 20 2HB LYS 20 -1.790 -2.199 6.072
119 HG2 LYS 20 1HG LYS 20 1.093 -2.534 6.680
120 HG3 LYS 20 2HG LYS 20 0.364 -0.952 6.962
121 HD2 LYS 20 1HD LYS 20 -0.054 -1.915 8.987
122 HD3 LYS 20 2HD LYS 20 -1.503 -2.436 8.124
123 HE2 LYS 20 1HE LYS 20 0.908 -4.166 7.975
124 HE3 LYS 20 2HE LYS 20 0.013 -4.130 9.493
125 HZ1 LYS 20 3HZ LYS 20 -1.648 -4.419 7.155
126 HZ2 LYS 20 1HZ LYS 20 -1.668 -5.281 8.612
127 HZ3 LYS 20 2HZ LYS 20 -0.577 -5.708 7.392
128 H THR 21 H THR 21 -2.860 -4.200 5.847
129 HA THR 21 HA THR 21 -4.144 -4.133 3.227
130 HB THR 21 HB THR 21 -5.254 -6.334 3.650
131 HG1 THR 21 HG1 THR 21 -4.974 -6.969 5.669
132 HG21 THR 21 3HG2 THR 21 -3.101 -7.696 3.206
133 HG22 THR 21 1HG2 THR 21 -2.291 -6.130 3.228
134 HG23 THR 21 2HG2 THR 21 -3.563 -6.449 2.048
135 H PHE 22 H PHE 22 -6.220 -3.454 3.301
136 HA PHE 22 HA PHE 22 -7.642 -3.473 5.855
137 HB2 PHE 22 1HB PHE 22 -7.502 -0.957 4.199
138 HB3 PHE 22 2HB PHE 22 -8.141 -1.150 5.828
139 HD1 PHE 22 HD2 PHE 22 -4.962 -1.540 3.923
140 HD2 PHE 22 HD1 PHE 22 -6.829 -0.533 7.613
141 HE1 PHE 22 HE2 PHE 22 -2.775 -0.896 4.849
142 HE2 PHE 22 HE1 PHE 22 -4.645 0.113 8.545
143 HZ PHE 22 HZ PHE 22 -2.615 -0.069 7.163
144 H SER 23 H SER 23 -9.825 -3.691 5.673
145 HA SER 23 HA SER 23 -10.901 -4.735 3.313
146 HB2 SER 23 1HB SER 23 -11.733 -4.924 5.773
147 HB3 SER 23 2HB SER 23 -12.637 -3.454 5.407
148 HG SER 23 HG SER 23 -13.223 -4.877 3.418
149 H HIS 24 H HIS 24 -11.347 -1.525 4.782
150 HA HIS 24 HA HIS 24 -12.539 -0.593 2.265
151 HB2 HIS 24 1HB HIS 24 -12.776 0.253 5.112
152 HB3 HIS 24 2HB HIS 24 -12.939 1.495 3.874
153 HD1 HIS 24 HD1 HIS 24 -15.261 0.450 5.770
154 HD2 HIS 24 HD2 HIS 24 -14.640 -0.649 1.812
155 HE1 HIS 24 HE1 HIS 24 -17.499 -0.333 4.931
156 H SER 25 H SER 25 -11.875 1.455 1.387
157 HA SER 25 HA SER 25 -9.060 1.736 1.264
158 HB2 SER 25 1HB SER 25 -9.463 3.538 -0.268
159 HB3 SER 25 2HB SER 25 -10.689 2.309 -0.576
160 HG SER 25 HG SER 25 -11.668 4.328 -0.483
161 H ALA 26 H ALA 26 -11.583 3.849 2.627
162 HA ALA 26 HA ALA 26 -10.251 5.972 3.555
163 HB1 ALA 26 3HB ALA 26 -12.132 4.395 5.304
164 HB2 ALA 26 1HB ALA 26 -11.780 6.120 5.403
165 HB3 ALA 26 2HB ALA 26 -12.638 5.473 4.004
166 H HIS 27 H HIS 27 -10.063 2.738 4.957
167 HA HIS 27 HA HIS 27 -8.496 3.453 7.205
168 HB2 HIS 27 1HB HIS 27 -8.694 0.787 5.788
169 HB3 HIS 27 2HB HIS 27 -8.038 1.047 7.402
170 HD1 HIS 27 HD1 HIS 27 -10.861 -0.361 6.068
171 HD2 HIS 27 HD2 HIS 27 -10.344 2.663 8.869
172 HE1 HIS 27 HE1 HIS 27 -13.010 -0.277 7.370
173 H LEU 28 H LEU 28 -7.643 2.148 4.013
174 HA LEU 28 HA LEU 28 -4.871 1.991 4.449
175 HB2 LEU 28 1HB LEU 28 -5.783 0.810 2.618
176 HB3 LEU 28 2HB LEU 28 -6.531 2.264 1.959
177 HG LEU 28 HG LEU 28 -4.288 3.130 1.401
178 HD11 LEU 28 1HD1 LEU 28 -2.348 2.087 1.907
179 HD12 LEU 28 2HD1 LEU 28 -3.053 0.475 1.786
180 HD13 LEU 28 3HD1 LEU 28 -3.313 1.443 3.236
181 HD21 LEU 28 3HD2 LEU 28 -3.804 1.435 -0.396
182 HD22 LEU 28 1HD2 LEU 28 -5.460 2.039 -0.348
183 HD23 LEU 28 2HD2 LEU 28 -5.085 0.443 0.302
184 H SER 29 H SER 29 -6.613 4.411 2.484
185 HA SER 29 HA SER 29 -4.640 6.181 1.963
186 HB2 SER 29 1HB SER 29 -7.021 6.429 1.261
187 HB3 SER 29 2HB SER 29 -7.404 7.004 2.883
188 HG SER 29 HG SER 29 -5.776 8.223 0.921
189 H LYS 30 H LYS 30 -6.381 5.879 5.019
190 HA LYS 30 HA LYS 30 -5.192 8.122 6.279
191 HB2 LYS 30 1HB LYS 30 -7.300 6.722 6.934
192 HB3 LYS 30 2HB LYS 30 -6.144 5.726 7.809
193 HG2 LYS 30 1HG LYS 30 -5.600 7.432 9.285
194 HG3 LYS 30 2HG LYS 30 -6.214 8.690 8.210
195 HD2 LYS 30 1HD LYS 30 -8.497 7.450 8.574
196 HD3 LYS 30 2HD LYS 30 -7.700 6.846 10.028
197 HE2 LYS 30 1HE LYS 30 -7.474 8.981 10.935
198 HE3 LYS 30 2HE LYS 30 -7.696 9.770 9.375
199 HZ1 LYS 30 3HZ LYS 30 -9.610 9.493 11.248
200 HZ2 LYS 30 1HZ LYS 30 -9.950 8.189 10.225
201 HZ3 LYS 30 2HZ LYS 30 -9.904 9.761 9.604
202 H HIS 31 H HIS 31 -4.469 4.643 6.404
203 HA HIS 31 HA HIS 31 -2.261 4.888 8.159
204 HB2 HIS 31 1HB HIS 31 -3.085 2.728 8.097
205 HB3 HIS 31 2HB HIS 31 -3.306 2.750 6.350
206 HD1 HIS 31 HD1 HIS 31 -0.729 2.127 8.990
207 HD2 HIS 31 HD2 HIS 31 -1.085 1.960 4.854
208 HE1 HIS 31 HE1 HIS 31 1.321 0.911 8.187
209 H GLN 32 H GLN 32 -2.644 5.701 4.901
210 HA GLN 32 HA GLN 32 0.068 5.226 4.073
211 HB2 GLN 32 1HB GLN 32 -2.237 6.723 2.836
212 HB3 GLN 32 2HB GLN 32 -0.643 6.666 2.096
213 HG2 GLN 32 1HG GLN 32 -0.993 4.063 2.424
214 HG3 GLN 32 2HG GLN 32 -2.689 4.542 2.370
215 HE21 GLN 32 1HE2 GLN 32 -0.304 3.391 0.537
216 HE22 GLN 32 2HE2 GLN 32 -0.743 4.036 -1.004
217 H LEU 33 H LEU 33 -1.773 7.905 5.377
218 HA LEU 33 HA LEU 33 0.009 9.991 4.807
219 HB2 LEU 33 1HB LEU 33 -1.850 9.659 7.157
220 HB3 LEU 33 2HB LEU 33 -1.068 11.166 6.687
221 HG LEU 33 HG LEU 33 -2.979 9.683 4.894
222 HD11 LEU 33 1HD1 LEU 33 -4.525 11.622 5.641
223 HD12 LEU 33 2HD1 LEU 33 -3.496 11.665 7.071
224 HD13 LEU 33 3HD1 LEU 33 -4.376 10.193 6.664
225 HD21 LEU 33 3HD2 LEU 33 -2.760 11.400 3.455
226 HD22 LEU 33 1HD2 LEU 33 -1.214 11.629 4.273
227 HD23 LEU 33 2HD2 LEU 33 -2.611 12.599 4.741
228 H ILE 34 H ILE 34 0.249 7.380 7.005
229 HA ILE 34 HA ILE 34 2.030 8.610 8.873
230 HB ILE 34 HB ILE 34 2.170 6.565 9.937
231 HG12 ILE 34 1HG1 ILE 34 1.828 5.357 7.201
232 HG13 ILE 34 2HG1 ILE 34 3.181 5.185 8.314
233 HG21 ILE 34 1HG2 ILE 34 -0.224 7.415 9.520
234 HG22 ILE 34 2HG2 ILE 34 -0.367 6.032 8.437
235 HG23 ILE 34 3HG2 ILE 34 -0.011 5.780 10.145
236 HD11 ILE 34 3HD1 ILE 34 1.805 3.836 9.794
237 HD12 ILE 34 1HD1 ILE 34 0.431 4.029 8.706
238 HD13 ILE 34 2HD1 ILE 34 1.862 3.146 8.173
239 H HIS 35 H HIS 35 2.398 6.772 5.905
240 HA HIS 35 HA HIS 35 5.190 6.314 6.141
241 HB2 HIS 35 1HB HIS 35 3.244 6.235 3.852
242 HB3 HIS 35 2HB HIS 35 4.971 6.034 3.572
243 HD1 HIS 35 HD1 HIS 35 6.004 4.073 5.353
244 HD2 HIS 35 HD2 HIS 35 2.030 3.854 4.162
245 HE1 HIS 35 HE1 HIS 35 5.312 1.689 5.756
246 H ALA 36 H ALA 36 3.260 8.968 4.955
247 HA ALA 36 HA ALA 36 5.628 10.322 3.897
248 HB1 ALA 36 3HB ALA 36 4.228 11.193 2.415
249 HB2 ALA 36 1HB ALA 36 2.908 10.286 3.155
250 HB3 ALA 36 2HB ALA 36 3.271 11.923 3.705
251 H GLY 37 H GLY 37 5.222 12.914 4.302
252 HA2 GLY 37 1HA GLY 37 5.550 14.593 5.831
253 HA3 GLY 37 2HA GLY 37 4.311 13.790 6.784
254 H GLU 38 H GLU 38 7.649 12.930 5.870
255 HA GLU 38 HA GLU 38 8.153 12.275 8.686
256 HB2 GLU 38 1HB GLU 38 9.746 11.529 6.226
257 HB3 GLU 38 2HB GLU 38 10.063 10.981 7.866
258 HG2 GLU 38 1HG GLU 38 7.780 9.940 7.851
259 HG3 GLU 38 2HG GLU 38 7.703 10.314 6.130
260 H ASN 39 H ASN 39 9.850 13.768 5.925
261 HA ASN 39 HA ASN 39 10.737 15.970 7.525
262 HB2 ASN 39 1HB ASN 39 12.563 13.682 6.977
263 HB3 ASN 39 2HB ASN 39 13.231 15.307 6.843
264 HD21 ASN 39 1HD2 ASN 39 14.084 13.442 8.723
265 HD22 ASN 39 2HD2 ASN 39 13.670 14.017 10.299
266 HA PRO 40 HA PRO 40 10.920 17.892 3.583
267 HB2 PRO 40 1HB PRO 40 12.742 19.852 4.041
268 HB3 PRO 40 2HB PRO 40 11.102 19.891 4.700
269 HG2 PRO 40 1HG PRO 40 13.657 19.067 6.025
270 HG3 PRO 40 2HG PRO 40 12.334 20.058 6.666
271 HD2 PRO 40 1HD PRO 40 12.622 17.438 7.283
272 HD3 PRO 40 2HD PRO 40 11.034 18.222 7.167
273 H SER 41 H SER 41 12.039 17.819 1.679
274 HA SER 41 HA SER 41 14.791 16.770 1.790
275 HB2 SER 41 1HB SER 41 12.455 15.935 0.112
276 HB3 SER 41 2HB SER 41 14.086 15.770 -0.539
277 HG SER 41 HG SER 41 13.273 13.902 0.626
278 H GLY 42 H GLY 42 16.199 17.385 0.064
279 HA2 GLY 42 1HA GLY 42 15.485 20.012 -1.049
280 HA3 GLY 42 2HA GLY 42 17.120 19.415 -0.806
281 HA PRO 43 HA PRO 43 15.280 18.488 -5.164
282 HB2 PRO 43 1HB PRO 43 15.908 20.761 -6.509
283 HB3 PRO 43 2HB PRO 43 14.349 20.515 -5.713
284 HG2 PRO 43 1HG PRO 43 16.749 22.025 -4.753
285 HG3 PRO 43 2HG PRO 43 15.036 22.474 -4.664
286 HD2 PRO 43 1HD PRO 43 16.384 21.447 -2.552
287 HD3 PRO 43 2HD PRO 43 14.654 21.147 -2.818
288 H SER 44 H SER 44 16.598 17.659 -6.735
289 HA SER 44 HA SER 44 19.319 17.301 -6.191
290 HB2 SER 44 1HB SER 44 19.435 16.381 -8.522
291 HB3 SER 44 2HB SER 44 18.134 15.696 -7.549
292 HG SER 44 HG SER 44 16.721 17.213 -8.587
293 H SER 45 H SER 45 21.141 17.900 -7.624
294 HA SER 45 HA SER 45 21.726 20.526 -7.678
295 HB2 SER 45 1HB SER 45 23.159 18.471 -8.393
296 HB3 SER 45 2HB SER 45 22.603 18.861 -10.020
297 HG SER 45 HG SER 45 23.925 20.659 -8.264
298 H GLY 46 H GLY 46 20.410 22.108 -8.353
299 HA2 GLY 46 1HA GLY 46 20.118 23.220 -10.679
300 HA3 GLY 46 2HA GLY 46 19.083 21.828 -10.961
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 16.414 -17.403 5.712
2 HA2 GLY 1 1HA GLY 1 17.896 -18.788 3.665
3 HA3 GLY 1 2HA GLY 1 16.675 -19.790 4.435
4 H SER 2 H SER 2 15.548 -19.968 2.458
5 HA SER 2 HA SER 2 13.865 -17.636 1.897
6 HB2 SER 2 1HB SER 2 15.762 -17.773 0.224
7 HB3 SER 2 2HB SER 2 15.072 -19.302 -0.318
8 HG SER 2 HG SER 2 14.192 -16.714 -0.724
9 H SER 3 H SER 3 11.832 -18.142 0.941
10 HA SER 3 HA SER 3 11.101 -20.978 0.879
11 HB2 SER 3 1HB SER 3 9.155 -20.645 2.264
12 HB3 SER 3 2HB SER 3 10.558 -20.041 3.144
13 HG SER 3 HG SER 3 8.365 -18.735 2.615
14 H GLY 4 H GLY 4 8.627 -21.070 0.187
15 HA2 GLY 4 1HA GLY 4 8.400 -19.287 -2.157
16 HA3 GLY 4 2HA GLY 4 7.818 -20.945 -2.113
17 H SER 5 H SER 5 6.402 -18.438 -2.739
18 HA SER 5 HA SER 5 4.547 -18.142 -0.511
19 HB2 SER 5 1HB SER 5 5.487 -16.245 -2.072
20 HB3 SER 5 2HB SER 5 4.186 -16.760 -3.145
21 HG SER 5 HG SER 5 2.967 -16.574 -0.939
22 H SER 6 H SER 6 2.281 -18.443 -0.733
23 HA SER 6 HA SER 6 1.616 -20.600 -2.597
24 HB2 SER 6 1HB SER 6 1.206 -20.699 -0.040
25 HB3 SER 6 2HB SER 6 -0.165 -19.640 -0.369
26 HG SER 6 HG SER 6 0.049 -21.857 -2.006
27 H GLY 7 H GLY 7 -0.054 -17.736 -1.263
28 HA2 GLY 7 1HA GLY 7 -0.797 -16.030 -2.894
29 HA3 GLY 7 2HA GLY 7 -1.278 -17.367 -3.928
30 H THR 8 H THR 8 -1.890 -15.993 -0.706
31 HA THR 8 HA THR 8 -4.578 -17.144 -0.743
32 HB THR 8 HB THR 8 -3.204 -17.381 1.313
33 HG1 THR 8 HG1 THR 8 -5.686 -16.921 1.152
34 HG21 THR 8 3HG2 THR 8 -3.439 -14.376 1.346
35 HG22 THR 8 1HG2 THR 8 -1.965 -15.343 1.350
36 HG23 THR 8 2HG2 THR 8 -3.017 -15.332 2.766
37 H LYS 9 H LYS 9 -6.446 -15.918 -0.614
38 HA LYS 9 HA LYS 9 -6.425 -13.421 -1.927
39 HB2 LYS 9 1HB LYS 9 -8.523 -14.991 -0.461
40 HB3 LYS 9 2HB LYS 9 -8.868 -13.365 -1.034
41 HG2 LYS 9 1HG LYS 9 -9.654 -14.870 -2.682
42 HG3 LYS 9 2HG LYS 9 -8.186 -14.127 -3.322
43 HD2 LYS 9 1HD LYS 9 -8.052 -16.445 -3.819
44 HD3 LYS 9 2HD LYS 9 -6.933 -16.146 -2.487
45 HE2 LYS 9 1HE LYS 9 -8.590 -16.971 -0.899
46 HE3 LYS 9 2HE LYS 9 -9.734 -17.235 -2.215
47 HZ1 LYS 9 3HZ LYS 9 -8.079 -18.798 -3.179
48 HZ2 LYS 9 1HZ LYS 9 -8.718 -19.303 -1.696
49 HZ3 LYS 9 2HZ LYS 9 -7.162 -18.643 -1.767
50 H GLU 10 H GLU 10 -6.728 -11.340 -1.183
51 HA GLU 10 HA GLU 10 -6.782 -10.919 1.717
52 HB2 GLU 10 1HB GLU 10 -4.704 -9.898 -0.201
53 HB3 GLU 10 2HB GLU 10 -5.062 -9.038 1.290
54 HG2 GLU 10 1HG GLU 10 -4.174 -10.676 2.616
55 HG3 GLU 10 2HG GLU 10 -4.462 -11.947 1.428
56 H HIS 11 H HIS 11 -7.200 -8.596 2.265
57 HA HIS 11 HA HIS 11 -9.554 -7.679 1.219
58 HB2 HIS 11 1HB HIS 11 -7.315 -6.246 2.622
59 HB3 HIS 11 2HB HIS 11 -8.752 -5.374 2.095
60 HD1 HIS 11 HD1 HIS 11 -11.073 -6.799 2.966
61 HD2 HIS 11 HD2 HIS 11 -7.569 -7.014 5.188
62 HE1 HIS 11 HE1 HIS 11 -11.782 -7.507 5.273
63 HA PRO 12 HA PRO 12 -8.804 -5.795 -2.671
64 HB2 PRO 12 1HB PRO 12 -10.535 -3.704 -2.612
65 HB3 PRO 12 2HB PRO 12 -11.061 -5.383 -2.782
66 HG2 PRO 12 1HG PRO 12 -10.999 -3.655 -0.338
67 HG3 PRO 12 2HG PRO 12 -12.264 -4.771 -0.888
68 HD2 PRO 12 1HD PRO 12 -10.487 -5.424 1.048
69 HD3 PRO 12 2HD PRO 12 -11.159 -6.623 -0.075
70 H PHE 13 H PHE 13 -8.133 -4.145 0.233
71 HA PHE 13 HA PHE 13 -6.616 -2.097 -1.246
72 HB2 PHE 13 1HB PHE 13 -7.823 -1.807 1.513
73 HB3 PHE 13 2HB PHE 13 -6.953 -0.566 0.617
74 HD1 PHE 13 HD2 PHE 13 -7.960 0.342 -1.491
75 HD2 PHE 13 HD1 PHE 13 -10.120 -2.157 1.194
76 HE1 PHE 13 HE2 PHE 13 -10.075 1.102 -2.491
77 HE2 PHE 13 HE1 PHE 13 -12.239 -1.401 0.197
78 HZ PHE 13 HZ PHE 13 -12.219 0.231 -1.646
79 H LYS 14 H LYS 14 -4.550 -2.698 -1.214
80 HA LYS 14 HA LYS 14 -3.393 -3.533 1.363
81 HB2 LYS 14 1HB LYS 14 -3.416 -5.521 0.088
82 HB3 LYS 14 2HB LYS 14 -2.940 -4.682 -1.383
83 HG2 LYS 14 1HG LYS 14 -1.062 -4.642 0.916
84 HG3 LYS 14 2HG LYS 14 -1.237 -6.141 0.001
85 HD2 LYS 14 1HD LYS 14 -0.901 -4.643 -2.076
86 HD3 LYS 14 2HD LYS 14 -0.266 -3.461 -0.930
87 HE2 LYS 14 1HE LYS 14 1.199 -5.444 -0.106
88 HE3 LYS 14 2HE LYS 14 0.809 -6.153 -1.672
89 HZ1 LYS 14 3HZ LYS 14 1.549 -3.710 -2.411
90 HZ2 LYS 14 1HZ LYS 14 2.626 -5.011 -2.299
91 HZ3 LYS 14 2HZ LYS 14 2.517 -3.893 -1.035
92 H CYS 15 H CYS 15 -1.865 -2.199 2.052
93 HA CYS 15 HA CYS 15 -0.946 0.003 0.561
94 HB2 CYS 15 1HB CYS 15 -1.027 -0.059 3.034
95 HB3 CYS 15 2HB CYS 15 0.289 -1.229 3.033
96 H ASN 16 H ASN 16 0.806 0.331 -0.691
97 HA ASN 16 HA ASN 16 2.416 -2.013 -1.364
98 HB2 ASN 16 1HB ASN 16 1.789 0.575 -2.730
99 HB3 ASN 16 2HB ASN 16 3.253 -0.294 -3.177
100 HD21 ASN 16 1HD2 ASN 16 -0.231 -0.410 -3.074
101 HD22 ASN 16 2HD2 ASN 16 -0.417 -1.690 -4.221
102 H GLU 17 H GLU 17 2.602 0.768 0.534
103 HA GLU 17 HA GLU 17 5.398 1.303 0.251
104 HB2 GLU 17 1HB GLU 17 3.576 2.058 2.540
105 HB3 GLU 17 2HB GLU 17 5.123 2.791 2.139
106 HG2 GLU 17 1HG GLU 17 4.060 3.419 -0.088
107 HG3 GLU 17 2HG GLU 17 2.523 2.997 0.664
108 H CYS 18 H CYS 18 3.413 -0.503 2.557
109 HA CYS 18 HA CYS 18 5.888 -1.673 3.650
110 HB2 CYS 18 1HB CYS 18 4.674 -2.004 5.769
111 HB3 CYS 18 2HB CYS 18 4.758 -0.302 5.326
112 H GLY 19 H GLY 19 2.468 -2.280 2.916
113 HA2 GLY 19 1HA GLY 19 2.080 -4.318 1.542
114 HA3 GLY 19 2HA GLY 19 3.143 -5.147 2.670
115 H LYS 20 H LYS 20 0.952 -2.789 3.916
116 HA LYS 20 HA LYS 20 -0.384 -4.804 5.484
117 HB2 LYS 20 1HB LYS 20 -0.322 -1.831 5.409
118 HB3 LYS 20 2HB LYS 20 -1.745 -2.589 6.109
119 HG2 LYS 20 1HG LYS 20 -0.042 -3.946 7.503
120 HG3 LYS 20 2HG LYS 20 1.092 -2.675 7.042
121 HD2 LYS 20 1HD LYS 20 -0.212 -1.003 8.097
122 HD3 LYS 20 2HD LYS 20 -1.587 -2.094 8.286
123 HE2 LYS 20 1HE LYS 20 -0.645 -2.023 10.415
124 HE3 LYS 20 2HE LYS 20 0.001 -3.511 9.725
125 HZ1 LYS 20 3HZ LYS 20 1.567 -1.078 9.350
126 HZ2 LYS 20 1HZ LYS 20 2.084 -2.667 9.615
127 HZ3 LYS 20 2HZ LYS 20 1.528 -1.731 10.910
128 H THR 21 H THR 21 -2.861 -4.524 5.736
129 HA THR 21 HA THR 21 -4.170 -4.031 3.166
130 HB THR 21 HB THR 21 -5.407 -6.143 3.265
131 HG1 THR 21 HG1 THR 21 -3.638 -7.126 5.221
132 HG21 THR 21 3HG2 THR 21 -3.107 -7.616 3.205
133 HG22 THR 21 1HG2 THR 21 -2.499 -5.984 2.927
134 HG23 THR 21 2HG2 THR 21 -3.729 -6.661 1.859
135 H PHE 22 H PHE 22 -6.295 -3.391 3.315
136 HA PHE 22 HA PHE 22 -7.552 -3.373 5.959
137 HB2 PHE 22 1HB PHE 22 -7.511 -0.898 4.236
138 HB3 PHE 22 2HB PHE 22 -8.048 -1.048 5.906
139 HD1 PHE 22 HD2 PHE 22 -5.020 -1.363 3.771
140 HD2 PHE 22 HD1 PHE 22 -6.599 -0.538 7.636
141 HE1 PHE 22 HE2 PHE 22 -2.778 -0.710 4.544
142 HE2 PHE 22 HE1 PHE 22 -4.359 0.117 8.416
143 HZ PHE 22 HZ PHE 22 -2.444 0.030 6.869
144 H SER 23 H SER 23 -9.759 -3.523 5.938
145 HA SER 23 HA SER 23 -11.010 -4.672 3.727
146 HB2 SER 23 1HB SER 23 -13.143 -4.231 4.977
147 HB3 SER 23 2HB SER 23 -11.898 -5.027 5.941
148 HG SER 23 HG SER 23 -12.432 -3.436 7.255
149 H HIS 24 H HIS 24 -11.428 -1.380 5.033
150 HA HIS 24 HA HIS 24 -12.666 -0.581 2.499
151 HB2 HIS 24 1HB HIS 24 -12.756 0.466 5.291
152 HB3 HIS 24 2HB HIS 24 -12.991 1.607 3.970
153 HD1 HIS 24 HD1 HIS 24 -15.086 0.283 6.182
154 HD2 HIS 24 HD2 HIS 24 -14.912 -0.255 2.066
155 HE1 HIS 24 HE1 HIS 24 -17.393 -0.451 5.502
156 H SER 25 H SER 25 -12.055 1.510 1.567
157 HA SER 25 HA SER 25 -9.239 1.701 1.243
158 HB2 SER 25 1HB SER 25 -9.698 3.454 -0.326
159 HB3 SER 25 2HB SER 25 -10.972 2.250 -0.512
160 HG SER 25 HG SER 25 -12.376 3.569 0.564
161 H ALA 26 H ALA 26 -11.644 3.820 2.779
162 HA ALA 26 HA ALA 26 -10.201 5.972 3.528
163 HB1 ALA 26 3HB ALA 26 -12.090 6.372 4.617
164 HB2 ALA 26 1HB ALA 26 -12.550 4.674 4.485
165 HB3 ALA 26 2HB ALA 26 -11.602 5.227 5.866
166 H HIS 27 H HIS 27 -10.084 2.793 5.078
167 HA HIS 27 HA HIS 27 -8.385 3.505 7.209
168 HB2 HIS 27 1HB HIS 27 -8.752 0.833 5.839
169 HB3 HIS 27 2HB HIS 27 -7.925 1.072 7.375
170 HD1 HIS 27 HD1 HIS 27 -11.024 -0.039 6.187
171 HD2 HIS 27 HD2 HIS 27 -9.903 2.565 9.223
172 HE1 HIS 27 HE1 HIS 27 -12.997 0.068 7.743
173 H LEU 28 H LEU 28 -7.684 2.135 4.007
174 HA LEU 28 HA LEU 28 -4.901 1.931 4.333
175 HB2 LEU 28 1HB LEU 28 -5.881 0.743 2.554
176 HB3 LEU 28 2HB LEU 28 -6.669 2.186 1.920
177 HG LEU 28 HG LEU 28 -4.476 3.055 1.221
178 HD11 LEU 28 1HD1 LEU 28 -3.354 0.363 1.949
179 HD12 LEU 28 2HD1 LEU 28 -3.209 1.778 2.991
180 HD13 LEU 28 3HD1 LEU 28 -2.488 1.791 1.382
181 HD21 LEU 28 3HD2 LEU 28 -4.181 1.602 -0.661
182 HD22 LEU 28 1HD2 LEU 28 -5.902 1.674 -0.283
183 HD23 LEU 28 2HD2 LEU 28 -4.954 0.263 0.188
184 H SER 29 H SER 29 -6.752 4.407 2.548
185 HA SER 29 HA SER 29 -4.718 6.123 1.903
186 HB2 SER 29 1HB SER 29 -6.366 7.872 1.731
187 HB3 SER 29 2HB SER 29 -7.131 6.359 1.244
188 HG SER 29 HG SER 29 -7.818 8.031 3.225
189 H LYS 30 H LYS 30 -6.473 5.928 4.967
190 HA LYS 30 HA LYS 30 -5.206 8.158 6.177
191 HB2 LYS 30 1HB LYS 30 -7.364 6.772 6.838
192 HB3 LYS 30 2HB LYS 30 -6.213 5.880 7.824
193 HG2 LYS 30 1HG LYS 30 -5.615 7.856 9.030
194 HG3 LYS 30 2HG LYS 30 -6.570 8.866 7.942
195 HD2 LYS 30 1HD LYS 30 -8.045 8.656 9.678
196 HD3 LYS 30 2HD LYS 30 -8.513 7.253 8.715
197 HE2 LYS 30 1HE LYS 30 -7.284 5.778 10.116
198 HE3 LYS 30 2HE LYS 30 -6.493 7.119 10.943
199 HZ1 LYS 30 3HZ LYS 30 -8.180 7.294 12.355
200 HZ2 LYS 30 1HZ LYS 30 -8.769 5.829 11.746
201 HZ3 LYS 30 2HZ LYS 30 -9.333 7.295 11.118
202 H HIS 31 H HIS 31 -4.558 4.677 6.240
203 HA HIS 31 HA HIS 31 -2.401 4.826 8.078
204 HB2 HIS 31 1HB HIS 31 -3.248 2.684 7.948
205 HB3 HIS 31 2HB HIS 31 -3.461 2.759 6.201
206 HD1 HIS 31 HD1 HIS 31 -0.919 1.992 8.834
207 HD2 HIS 31 HD2 HIS 31 -1.240 1.981 4.692
208 HE1 HIS 31 HE1 HIS 31 1.112 0.761 8.006
209 H GLN 32 H GLN 32 -2.683 5.728 4.833
210 HA GLN 32 HA GLN 32 0.042 5.219 4.065
211 HB2 GLN 32 1HB GLN 32 -2.208 6.775 2.802
212 HB3 GLN 32 2HB GLN 32 -0.594 6.724 2.106
213 HG2 GLN 32 1HG GLN 32 -0.961 4.121 2.339
214 HG3 GLN 32 2HG GLN 32 -2.656 4.600 2.282
215 HE21 GLN 32 1HE2 GLN 32 -0.118 3.636 0.457
216 HE22 GLN 32 2HE2 GLN 32 -0.593 4.279 -1.075
217 H LEU 33 H LEU 33 -1.797 7.922 5.339
218 HA LEU 33 HA LEU 33 0.014 9.990 4.872
219 HB2 LEU 33 1HB LEU 33 -1.883 9.587 7.178
220 HB3 LEU 33 2HB LEU 33 -1.050 11.098 6.820
221 HG LEU 33 HG LEU 33 -2.955 9.778 4.897
222 HD11 LEU 33 1HD1 LEU 33 -4.495 10.259 6.481
223 HD12 LEU 33 2HD1 LEU 33 -4.345 11.878 5.798
224 HD13 LEU 33 3HD1 LEU 33 -3.472 11.458 7.272
225 HD21 LEU 33 3HD2 LEU 33 -1.717 11.284 3.671
226 HD22 LEU 33 1HD2 LEU 33 -1.499 12.381 5.034
227 HD23 LEU 33 2HD2 LEU 33 -3.057 12.295 4.213
228 H ILE 34 H ILE 34 0.206 7.324 7.019
229 HA ILE 34 HA ILE 34 2.001 8.483 8.916
230 HB ILE 34 HB ILE 34 2.116 6.410 9.927
231 HG12 ILE 34 1HG1 ILE 34 1.734 5.263 7.166
232 HG13 ILE 34 2HG1 ILE 34 3.114 5.077 8.243
233 HG21 ILE 34 1HG2 ILE 34 -0.076 5.632 10.101
234 HG22 ILE 34 2HG2 ILE 34 -0.262 7.296 9.549
235 HG23 ILE 34 3HG2 ILE 34 -0.428 5.964 8.405
236 HD11 ILE 34 3HD1 ILE 34 1.480 3.857 9.794
237 HD12 ILE 34 1HD1 ILE 34 0.435 3.758 8.377
238 HD13 ILE 34 2HD1 ILE 34 2.039 3.026 8.343
239 H HIS 35 H HIS 35 2.347 6.882 5.840
240 HA HIS 35 HA HIS 35 5.159 6.378 6.106
241 HB2 HIS 35 1HB HIS 35 3.218 6.253 3.810
242 HB3 HIS 35 2HB HIS 35 4.948 6.037 3.558
243 HD1 HIS 35 HD1 HIS 35 5.988 4.062 5.237
244 HD2 HIS 35 HD2 HIS 35 1.943 3.927 4.298
245 HE1 HIS 35 HE1 HIS 35 5.266 1.700 5.712
246 H ALA 36 H ALA 36 3.161 8.960 4.856
247 HA ALA 36 HA ALA 36 5.325 10.325 3.542
248 HB1 ALA 36 3HB ALA 36 2.591 10.442 3.353
249 HB2 ALA 36 1HB ALA 36 2.987 11.942 4.192
250 HB3 ALA 36 2HB ALA 36 3.722 11.586 2.629
251 H GLY 37 H GLY 37 6.309 9.867 5.966
252 HA2 GLY 37 1HA GLY 37 7.259 10.863 7.803
253 HA3 GLY 37 2HA GLY 37 7.062 12.372 6.925
254 H GLU 38 H GLU 38 6.306 13.758 8.409
255 HA GLU 38 HA GLU 38 5.060 14.603 10.140
256 HB2 GLU 38 1HB GLU 38 2.689 14.645 9.682
257 HB3 GLU 38 2HB GLU 38 3.569 14.799 8.168
258 HG2 GLU 38 1HG GLU 38 2.979 12.686 7.453
259 HG3 GLU 38 2HG GLU 38 2.646 12.115 9.087
260 H ASN 39 H ASN 39 6.123 11.884 10.563
261 HA ASN 39 HA ASN 39 4.303 11.116 12.729
262 HB2 ASN 39 1HB ASN 39 4.657 8.726 12.220
263 HB3 ASN 39 2HB ASN 39 3.844 9.564 10.901
264 HD21 ASN 39 1HD2 ASN 39 5.273 7.108 10.737
265 HD22 ASN 39 2HD2 ASN 39 6.597 7.353 9.654
266 HA PRO 40 HA PRO 40 7.988 11.105 15.135
267 HB2 PRO 40 1HB PRO 40 7.163 9.527 17.185
268 HB3 PRO 40 2HB PRO 40 6.611 11.192 16.972
269 HG2 PRO 40 1HG PRO 40 5.244 8.633 16.232
270 HG3 PRO 40 2HG PRO 40 4.565 10.085 16.991
271 HD2 PRO 40 1HD PRO 40 4.277 9.551 14.352
272 HD3 PRO 40 2HD PRO 40 4.391 11.206 14.985
273 H SER 41 H SER 41 6.866 8.466 13.437
274 HA SER 41 HA SER 41 8.603 6.454 14.529
275 HB2 SER 41 1HB SER 41 6.971 6.563 11.985
276 HB3 SER 41 2HB SER 41 7.911 5.157 12.486
277 HG SER 41 HG SER 41 6.152 6.241 14.351
278 H GLY 42 H GLY 42 10.121 5.273 12.957
279 HA2 GLY 42 1HA GLY 42 11.531 7.158 11.197
280 HA3 GLY 42 2HA GLY 42 12.426 6.380 12.494
281 HA PRO 43 HA PRO 43 12.930 3.732 8.761
282 HB2 PRO 43 1HB PRO 43 15.541 3.168 9.248
283 HB3 PRO 43 2HB PRO 43 15.016 4.619 8.385
284 HG2 PRO 43 1HG PRO 43 15.811 4.305 11.254
285 HG3 PRO 43 2HG PRO 43 16.235 5.592 10.110
286 HD2 PRO 43 1HD PRO 43 14.292 5.882 11.973
287 HD3 PRO 43 2HD PRO 43 14.219 6.676 10.387
288 H SER 44 H SER 44 12.134 1.748 9.004
289 HA SER 44 HA SER 44 12.953 0.174 11.356
290 HB2 SER 44 1HB SER 44 10.577 0.578 11.395
291 HB3 SER 44 2HB SER 44 10.413 0.069 9.715
292 HG SER 44 HG SER 44 11.299 -1.609 11.826
293 H SER 45 H SER 45 11.816 -0.356 8.014
294 HA SER 45 HA SER 45 13.766 -2.558 7.811
295 HB2 SER 45 1HB SER 45 11.159 -2.974 7.681
296 HB3 SER 45 2HB SER 45 11.373 -2.426 6.019
297 HG SER 45 HG SER 45 12.867 -4.085 5.709
298 H GLY 46 H GLY 46 15.036 -2.708 5.988
299 HA2 GLY 46 1HA GLY 46 14.652 -0.821 3.805
300 HA3 GLY 46 2HA GLY 46 16.104 -0.589 4.768
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 4.247 -29.008 -7.417
2 HA2 GLY 1 1HA GLY 1 1.656 -30.380 -7.734
3 HA3 GLY 1 2HA GLY 1 2.251 -29.965 -6.133
4 H SER 2 H SER 2 0.351 -28.962 -8.684
5 HA SER 2 HA SER 2 0.713 -26.136 -8.470
6 HB2 SER 2 1HB SER 2 -1.537 -27.783 -9.645
7 HB3 SER 2 2HB SER 2 -1.420 -26.029 -9.777
8 HG SER 2 HG SER 2 -0.251 -27.885 -11.287
9 H SER 3 H SER 3 -1.381 -24.787 -8.011
10 HA SER 3 HA SER 3 -2.256 -25.551 -5.317
11 HB2 SER 3 1HB SER 3 -2.821 -23.162 -5.037
12 HB3 SER 3 2HB SER 3 -1.132 -23.382 -5.492
13 HG SER 3 HG SER 3 -3.082 -22.034 -6.778
14 H GLY 4 H GLY 4 -4.511 -24.465 -4.797
15 HA2 GLY 4 1HA GLY 4 -6.360 -24.977 -7.033
16 HA3 GLY 4 2HA GLY 4 -6.607 -25.782 -5.490
17 H SER 5 H SER 5 -8.096 -23.664 -7.149
18 HA SER 5 HA SER 5 -8.143 -21.358 -5.430
19 HB2 SER 5 1HB SER 5 -8.590 -21.221 -7.878
20 HB3 SER 5 2HB SER 5 -10.080 -22.130 -7.625
21 HG SER 5 HG SER 5 -9.661 -19.840 -6.082
22 H SER 6 H SER 6 -8.762 -21.983 -3.392
23 HA SER 6 HA SER 6 -11.476 -23.107 -3.145
24 HB2 SER 6 1HB SER 6 -9.369 -24.404 -2.259
25 HB3 SER 6 2HB SER 6 -9.482 -23.270 -0.914
26 HG SER 6 HG SER 6 -11.590 -23.999 -0.543
27 H GLY 7 H GLY 7 -11.136 -20.378 -3.522
28 HA2 GLY 7 1HA GLY 7 -12.026 -18.444 -2.635
29 HA3 GLY 7 2HA GLY 7 -12.465 -19.361 -1.202
30 H THR 8 H THR 8 -10.768 -16.784 -2.149
31 HA THR 8 HA THR 8 -8.751 -17.129 -0.026
32 HB THR 8 HB THR 8 -7.589 -17.014 -2.130
33 HG1 THR 8 HG1 THR 8 -6.500 -15.855 -0.597
34 HG21 THR 8 3HG2 THR 8 -9.577 -15.795 -3.251
35 HG22 THR 8 1HG2 THR 8 -7.942 -15.428 -3.801
36 HG23 THR 8 2HG2 THR 8 -8.774 -14.321 -2.709
37 H LYS 9 H LYS 9 -9.063 -15.848 1.661
38 HA LYS 9 HA LYS 9 -10.890 -13.605 1.478
39 HB2 LYS 9 1HB LYS 9 -9.559 -15.095 3.701
40 HB3 LYS 9 2HB LYS 9 -10.165 -13.474 4.013
41 HG2 LYS 9 1HG LYS 9 -12.393 -14.125 3.432
42 HG3 LYS 9 2HG LYS 9 -11.837 -15.709 2.887
43 HD2 LYS 9 1HD LYS 9 -11.193 -16.302 5.138
44 HD3 LYS 9 2HD LYS 9 -11.593 -14.683 5.714
45 HE2 LYS 9 1HE LYS 9 -13.387 -16.170 6.291
46 HE3 LYS 9 2HE LYS 9 -13.945 -15.079 5.024
47 HZ1 LYS 9 3HZ LYS 9 -14.687 -17.185 4.390
48 HZ2 LYS 9 1HZ LYS 9 -13.226 -17.938 4.792
49 HZ3 LYS 9 2HZ LYS 9 -13.313 -16.932 3.435
50 H GLU 10 H GLU 10 -9.651 -12.199 0.146
51 HA GLU 10 HA GLU 10 -7.388 -10.933 1.547
52 HB2 GLU 10 1HB GLU 10 -7.835 -11.476 -1.373
53 HB3 GLU 10 2HB GLU 10 -6.771 -10.175 -0.857
54 HG2 GLU 10 1HG GLU 10 -5.615 -11.977 0.570
55 HG3 GLU 10 2HG GLU 10 -6.462 -13.123 -0.467
56 H HIS 11 H HIS 11 -7.245 -8.679 1.513
57 HA HIS 11 HA HIS 11 -9.799 -7.335 1.247
58 HB2 HIS 11 1HB HIS 11 -7.111 -6.345 2.220
59 HB3 HIS 11 2HB HIS 11 -8.596 -5.399 2.244
60 HD1 HIS 11 HD1 HIS 11 -8.185 -5.293 4.876
61 HD2 HIS 11 HD2 HIS 11 -9.106 -9.041 3.339
62 HE1 HIS 11 HE1 HIS 11 -8.851 -6.689 6.860
63 HA PRO 12 HA PRO 12 -9.057 -5.603 -2.729
64 HB2 PRO 12 1HB PRO 12 -10.686 -3.437 -2.570
65 HB3 PRO 12 2HB PRO 12 -11.295 -5.086 -2.756
66 HG2 PRO 12 1HG PRO 12 -11.074 -3.416 -0.281
67 HG3 PRO 12 2HG PRO 12 -12.405 -4.460 -0.811
68 HD2 PRO 12 1HD PRO 12 -10.598 -5.235 1.051
69 HD3 PRO 12 2HD PRO 12 -11.362 -6.378 -0.073
70 H PHE 13 H PHE 13 -8.161 -4.095 0.173
71 HA PHE 13 HA PHE 13 -6.598 -2.089 -1.313
72 HB2 PHE 13 1HB PHE 13 -7.684 -1.727 1.484
73 HB3 PHE 13 2HB PHE 13 -6.853 -0.525 0.503
74 HD1 PHE 13 HD2 PHE 13 -7.980 0.242 -1.644
75 HD2 PHE 13 HD1 PHE 13 -9.999 -1.938 1.404
76 HE1 PHE 13 HE2 PHE 13 -10.142 1.015 -2.528
77 HE2 PHE 13 HE1 PHE 13 -12.165 -1.169 0.524
78 HZ PHE 13 HZ PHE 13 -12.238 0.311 -1.444
79 H LYS 14 H LYS 14 -4.501 -2.488 -1.195
80 HA LYS 14 HA LYS 14 -3.388 -3.531 1.315
81 HB2 LYS 14 1HB LYS 14 -3.487 -5.470 -0.054
82 HB3 LYS 14 2HB LYS 14 -2.916 -4.592 -1.467
83 HG2 LYS 14 1HG LYS 14 -1.133 -4.729 0.902
84 HG3 LYS 14 2HG LYS 14 -1.335 -6.182 -0.080
85 HD2 LYS 14 1HD LYS 14 -0.851 -4.622 -2.079
86 HD3 LYS 14 2HD LYS 14 -0.216 -3.512 -0.863
87 HE2 LYS 14 1HE LYS 14 1.298 -5.302 -0.078
88 HE3 LYS 14 2HE LYS 14 0.703 -6.341 -1.372
89 HZ1 LYS 14 3HZ LYS 14 2.206 -5.443 -2.703
90 HZ2 LYS 14 1HZ LYS 14 2.726 -4.394 -1.482
91 HZ3 LYS 14 2HZ LYS 14 1.478 -3.926 -2.524
92 H CYS 15 H CYS 15 -1.921 -2.156 2.050
93 HA CYS 15 HA CYS 15 -0.916 0.024 0.611
94 HB2 CYS 15 1HB CYS 15 -1.022 -0.058 3.073
95 HB3 CYS 15 2HB CYS 15 0.244 -1.282 3.082
96 H ASN 16 H ASN 16 0.886 0.361 -0.578
97 HA ASN 16 HA ASN 16 2.463 -2.003 -1.275
98 HB2 ASN 16 1HB ASN 16 1.969 0.640 -2.622
99 HB3 ASN 16 2HB ASN 16 3.319 -0.381 -3.109
100 HD21 ASN 16 1HD2 ASN 16 0.482 0.463 -4.137
101 HD22 ASN 16 2HD2 ASN 16 -0.119 -1.016 -4.797
102 H GLU 17 H GLU 17 2.655 0.797 0.611
103 HA GLU 17 HA GLU 17 5.460 1.294 0.367
104 HB2 GLU 17 1HB GLU 17 3.585 2.076 2.606
105 HB3 GLU 17 2HB GLU 17 5.172 2.763 2.288
106 HG2 GLU 17 1HG GLU 17 4.075 3.277 -0.063
107 HG3 GLU 17 2HG GLU 17 2.595 3.205 0.893
108 H CYS 18 H CYS 18 3.430 -0.491 2.650
109 HA CYS 18 HA CYS 18 5.881 -1.669 3.788
110 HB2 CYS 18 1HB CYS 18 4.627 -2.007 5.876
111 HB3 CYS 18 2HB CYS 18 4.694 -0.304 5.436
112 H GLY 19 H GLY 19 2.479 -2.285 2.977
113 HA2 GLY 19 1HA GLY 19 2.126 -4.315 1.583
114 HA3 GLY 19 2HA GLY 19 3.172 -5.148 2.723
115 H LYS 20 H LYS 20 0.969 -2.815 3.976
116 HA LYS 20 HA LYS 20 -0.386 -4.839 5.503
117 HB2 LYS 20 1HB LYS 20 -0.358 -1.866 5.423
118 HB3 LYS 20 2HB LYS 20 -1.785 -2.641 6.099
119 HG2 LYS 20 1HG LYS 20 -0.136 -3.962 7.553
120 HG3 LYS 20 2HG LYS 20 1.045 -2.741 7.072
121 HD2 LYS 20 1HD LYS 20 -0.254 -0.993 8.041
122 HD3 LYS 20 2HD LYS 20 -1.626 -2.073 8.297
123 HE2 LYS 20 1HE LYS 20 1.066 -2.415 9.609
124 HE3 LYS 20 2HE LYS 20 -0.295 -1.576 10.353
125 HZ1 LYS 20 3HZ LYS 20 -1.211 -3.499 10.932
126 HZ2 LYS 20 1HZ LYS 20 0.233 -4.259 10.486
127 HZ3 LYS 20 2HZ LYS 20 -1.042 -4.150 9.380
128 H THR 21 H THR 21 -2.880 -4.547 5.715
129 HA THR 21 HA THR 21 -4.151 -4.074 3.127
130 HB THR 21 HB THR 21 -5.346 -6.209 3.171
131 HG1 THR 21 HG1 THR 21 -5.405 -7.095 5.103
132 HG21 THR 21 3HG2 THR 21 -3.509 -6.419 1.792
133 HG22 THR 21 1HG2 THR 21 -3.213 -7.719 2.946
134 HG23 THR 21 2HG2 THR 21 -2.360 -6.184 3.108
135 H PHE 22 H PHE 22 -6.188 -3.290 3.283
136 HA PHE 22 HA PHE 22 -7.513 -3.381 5.904
137 HB2 PHE 22 1HB PHE 22 -7.468 -0.907 4.175
138 HB3 PHE 22 2HB PHE 22 -8.064 -1.059 5.825
139 HD1 PHE 22 HD2 PHE 22 -4.944 -1.412 3.826
140 HD2 PHE 22 HD1 PHE 22 -6.699 -0.458 7.584
141 HE1 PHE 22 HE2 PHE 22 -2.739 -0.731 4.679
142 HE2 PHE 22 HE1 PHE 22 -4.497 0.226 8.443
143 HZ PHE 22 HZ PHE 22 -2.513 0.088 6.991
144 H SER 23 H SER 23 -9.681 -3.691 5.856
145 HA SER 23 HA SER 23 -10.888 -4.766 3.580
146 HB2 SER 23 1HB SER 23 -13.020 -4.557 4.865
147 HB3 SER 23 2HB SER 23 -11.717 -5.300 5.792
148 HG SER 23 HG SER 23 -12.159 -3.805 7.198
149 H HIS 24 H HIS 24 -11.178 -1.530 5.004
150 HA HIS 24 HA HIS 24 -12.603 -0.652 2.585
151 HB2 HIS 24 1HB HIS 24 -12.639 0.252 5.431
152 HB3 HIS 24 2HB HIS 24 -12.960 1.441 4.172
153 HD1 HIS 24 HD1 HIS 24 -15.102 0.500 6.251
154 HD2 HIS 24 HD2 HIS 24 -14.703 -0.965 2.384
155 HE1 HIS 24 HE1 HIS 24 -17.359 -0.430 5.648
156 H SER 25 H SER 25 -12.021 1.375 1.625
157 HA SER 25 HA SER 25 -9.226 1.705 1.331
158 HB2 SER 25 1HB SER 25 -10.930 2.210 -0.436
159 HB3 SER 25 2HB SER 25 -11.395 3.639 0.487
160 HG SER 25 HG SER 25 -9.212 4.359 0.264
161 H ALA 26 H ALA 26 -11.697 3.832 2.769
162 HA ALA 26 HA ALA 26 -10.346 5.982 3.586
163 HB1 ALA 26 3HB ALA 26 -12.130 4.405 5.437
164 HB2 ALA 26 1HB ALA 26 -11.760 6.127 5.543
165 HB3 ALA 26 2HB ALA 26 -12.690 5.506 4.178
166 H HIS 27 H HIS 27 -10.090 2.801 5.114
167 HA HIS 27 HA HIS 27 -8.399 3.579 7.233
168 HB2 HIS 27 1HB HIS 27 -8.646 0.881 5.885
169 HB3 HIS 27 2HB HIS 27 -7.889 1.179 7.447
170 HD1 HIS 27 HD1 HIS 27 -10.844 -0.171 6.229
171 HD2 HIS 27 HD2 HIS 27 -10.045 2.693 9.130
172 HE1 HIS 27 HE1 HIS 27 -12.888 -0.108 7.692
173 H LEU 28 H LEU 28 -7.686 2.199 4.036
174 HA LEU 28 HA LEU 28 -4.891 2.109 4.342
175 HB2 LEU 28 1HB LEU 28 -5.859 0.837 2.605
176 HB3 LEU 28 2HB LEU 28 -6.681 2.244 1.933
177 HG LEU 28 HG LEU 28 -4.508 3.144 1.209
178 HD11 LEU 28 1HD1 LEU 28 -2.648 2.406 2.162
179 HD12 LEU 28 2HD1 LEU 28 -2.866 0.875 1.314
180 HD13 LEU 28 3HD1 LEU 28 -3.517 1.082 2.940
181 HD21 LEU 28 3HD2 LEU 28 -4.543 0.380 0.126
182 HD22 LEU 28 1HD2 LEU 28 -4.469 1.928 -0.716
183 HD23 LEU 28 2HD2 LEU 28 -6.001 1.356 -0.054
184 H SER 29 H SER 29 -6.892 4.479 2.576
185 HA SER 29 HA SER 29 -4.897 6.257 1.880
186 HB2 SER 29 1HB SER 29 -6.637 7.929 1.639
187 HB3 SER 29 2HB SER 29 -7.268 6.370 1.109
188 HG SER 29 HG SER 29 -7.637 6.981 3.785
189 H LYS 30 H LYS 30 -6.222 5.609 4.983
190 HA LYS 30 HA LYS 30 -5.239 8.092 6.140
191 HB2 LYS 30 1HB LYS 30 -7.407 6.751 6.782
192 HB3 LYS 30 2HB LYS 30 -6.294 5.814 7.770
193 HG2 LYS 30 1HG LYS 30 -5.599 7.864 8.918
194 HG3 LYS 30 2HG LYS 30 -6.740 8.789 7.938
195 HD2 LYS 30 1HD LYS 30 -8.480 7.074 8.862
196 HD3 LYS 30 2HD LYS 30 -7.271 6.818 10.123
197 HE2 LYS 30 1HE LYS 30 -7.410 9.034 10.862
198 HE3 LYS 30 2HE LYS 30 -8.195 9.574 9.379
199 HZ1 LYS 30 3HZ LYS 30 -9.487 7.665 11.234
200 HZ2 LYS 30 1HZ LYS 30 -10.205 8.583 10.008
201 HZ3 LYS 30 2HZ LYS 30 -9.648 9.339 11.414
202 H HIS 31 H HIS 31 -4.480 4.653 6.112
203 HA HIS 31 HA HIS 31 -2.382 4.853 8.050
204 HB2 HIS 31 1HB HIS 31 -3.228 2.704 7.968
205 HB3 HIS 31 2HB HIS 31 -3.399 2.725 6.215
206 HD1 HIS 31 HD1 HIS 31 -0.918 2.051 8.930
207 HD2 HIS 31 HD2 HIS 31 -1.134 1.922 4.783
208 HE1 HIS 31 HE1 HIS 31 1.140 0.810 8.188
209 H GLN 32 H GLN 32 -2.640 5.660 4.778
210 HA GLN 32 HA GLN 32 0.085 5.138 4.034
211 HB2 GLN 32 1HB GLN 32 -2.156 6.684 2.743
212 HB3 GLN 32 2HB GLN 32 -0.539 6.627 2.054
213 HG2 GLN 32 1HG GLN 32 -0.920 4.021 2.332
214 HG3 GLN 32 2HG GLN 32 -2.609 4.516 2.226
215 HE21 GLN 32 1HE2 GLN 32 -0.559 3.108 0.415
216 HE22 GLN 32 2HE2 GLN 32 -0.787 3.881 -1.113
217 H LEU 33 H LEU 33 -1.746 7.883 5.240
218 HA LEU 33 HA LEU 33 0.058 9.937 4.754
219 HB2 LEU 33 1HB LEU 33 -1.736 9.583 7.151
220 HB3 LEU 33 2HB LEU 33 -0.991 11.096 6.638
221 HG LEU 33 HG LEU 33 -2.893 9.599 4.860
222 HD11 LEU 33 1HD1 LEU 33 -3.475 11.186 7.276
223 HD12 LEU 33 2HD1 LEU 33 -4.423 9.928 6.484
224 HD13 LEU 33 3HD1 LEU 33 -4.427 11.570 5.842
225 HD21 LEU 33 3HD2 LEU 33 -2.311 11.233 3.471
226 HD22 LEU 33 1HD2 LEU 33 -1.382 12.051 4.728
227 HD23 LEU 33 2HD2 LEU 33 -3.110 12.364 4.564
228 H ILE 34 H ILE 34 0.199 7.348 7.046
229 HA ILE 34 HA ILE 34 2.037 8.495 8.869
230 HB ILE 34 HB ILE 34 2.185 6.423 9.872
231 HG12 ILE 34 1HG1 ILE 34 1.786 5.247 7.120
232 HG13 ILE 34 2HG1 ILE 34 3.222 5.155 8.133
233 HG21 ILE 34 1HG2 ILE 34 -0.223 7.265 9.433
234 HG22 ILE 34 2HG2 ILE 34 -0.334 5.872 8.358
235 HG23 ILE 34 3HG2 ILE 34 0.015 5.638 10.070
236 HD11 ILE 34 3HD1 ILE 34 1.735 3.872 9.776
237 HD12 ILE 34 1HD1 ILE 34 0.628 3.695 8.414
238 HD13 ILE 34 2HD1 ILE 34 2.266 3.050 8.309
239 H HIS 35 H HIS 35 2.403 6.795 5.827
240 HA HIS 35 HA HIS 35 5.227 6.404 6.069
241 HB2 HIS 35 1HB HIS 35 3.289 6.202 3.770
242 HB3 HIS 35 2HB HIS 35 5.022 5.981 3.545
243 HD1 HIS 35 HD1 HIS 35 6.032 4.064 5.328
244 HD2 HIS 35 HD2 HIS 35 2.020 3.876 4.263
245 HE1 HIS 35 HE1 HIS 35 5.308 1.712 5.845
246 H ALA 36 H ALA 36 3.146 8.887 4.733
247 HA ALA 36 HA ALA 36 5.300 10.294 3.435
248 HB1 ALA 36 3HB ALA 36 2.950 10.325 2.609
249 HB2 ALA 36 1HB ALA 36 2.517 11.290 4.020
250 HB3 ALA 36 2HB ALA 36 3.655 11.926 2.832
251 H GLY 37 H GLY 37 6.633 11.721 4.339
252 HA2 GLY 37 1HA GLY 37 5.822 12.944 6.905
253 HA3 GLY 37 2HA GLY 37 7.451 12.344 6.628
254 H GLU 38 H GLU 38 5.489 15.042 6.574
255 HA GLU 38 HA GLU 38 7.052 16.462 4.562
256 HB2 GLU 38 1HB GLU 38 4.676 17.313 6.223
257 HB3 GLU 38 2HB GLU 38 5.478 18.340 5.044
258 HG2 GLU 38 1HG GLU 38 3.773 17.552 3.771
259 HG3 GLU 38 2HG GLU 38 4.984 16.314 3.441
260 H ASN 39 H ASN 39 8.530 15.632 6.778
261 HA ASN 39 HA ASN 39 8.948 18.115 8.297
262 HB2 ASN 39 1HB ASN 39 10.208 16.687 9.898
263 HB3 ASN 39 2HB ASN 39 8.524 16.201 9.722
264 HD21 ASN 39 1HD2 ASN 39 11.104 14.796 10.467
265 HD22 ASN 39 2HD2 ASN 39 11.104 13.377 9.481
266 HA PRO 40 HA PRO 40 12.479 17.888 5.294
267 HB2 PRO 40 1HB PRO 40 12.420 20.529 4.669
268 HB3 PRO 40 2HB PRO 40 11.426 19.324 3.842
269 HG2 PRO 40 1HG PRO 40 10.676 21.209 6.043
270 HG3 PRO 40 2HG PRO 40 9.768 20.776 4.582
271 HD2 PRO 40 1HD PRO 40 9.226 19.699 7.007
272 HD3 PRO 40 2HD PRO 40 9.001 18.802 5.491
273 H SER 41 H SER 41 14.379 17.838 6.304
274 HA SER 41 HA SER 41 14.903 19.665 8.518
275 HB2 SER 41 1HB SER 41 16.719 18.215 9.105
276 HB3 SER 41 2HB SER 41 15.348 17.183 8.697
277 HG SER 41 HG SER 41 17.779 17.473 7.438
278 H GLY 42 H GLY 42 14.815 20.923 6.042
279 HA2 GLY 42 1HA GLY 42 16.012 22.344 4.693
280 HA3 GLY 42 2HA GLY 42 17.145 22.432 6.034
281 HA PRO 43 HA PRO 43 18.702 18.856 3.162
282 HB2 PRO 43 1HB PRO 43 17.497 18.649 0.738
283 HB3 PRO 43 2HB PRO 43 16.937 17.773 2.168
284 HG2 PRO 43 1HG PRO 43 15.889 20.307 0.967
285 HG3 PRO 43 2HG PRO 43 14.992 18.916 1.604
286 HD2 PRO 43 1HD PRO 43 15.341 21.197 3.021
287 HD3 PRO 43 2HD PRO 43 15.236 19.602 3.792
288 H SER 44 H SER 44 18.176 22.072 2.576
289 HA SER 44 HA SER 44 20.315 22.154 0.551
290 HB2 SER 44 1HB SER 44 18.299 22.847 -0.556
291 HB3 SER 44 2HB SER 44 17.868 23.917 0.778
292 HG SER 44 HG SER 44 19.520 24.359 -1.344
293 H SER 45 H SER 45 18.704 23.960 3.152
294 HA SER 45 HA SER 45 21.309 25.182 3.788
295 HB2 SER 45 1HB SER 45 19.545 26.754 2.814
296 HB3 SER 45 2HB SER 45 18.649 26.510 4.314
297 HG SER 45 HG SER 45 20.943 27.088 5.198
298 H GLY 46 H GLY 46 21.839 23.670 5.356
299 HA2 GLY 46 1HA GLY 46 21.700 23.882 7.892
300 HA3 GLY 46 2HA GLY 46 20.003 23.488 7.658
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 2.849 -28.055 19.704
2 HA2 GLY 1 1HA GLY 1 0.113 -28.053 19.964
3 HA3 GLY 1 2HA GLY 1 0.681 -26.964 21.220
4 H SER 2 H SER 2 -0.910 -26.454 18.777
5 HA SER 2 HA SER 2 0.743 -24.264 17.749
6 HB2 SER 2 1HB SER 2 -0.852 -26.134 15.979
7 HB3 SER 2 2HB SER 2 0.049 -24.716 15.443
8 HG SER 2 HG SER 2 1.371 -26.450 15.122
9 H SER 3 H SER 3 -0.312 -22.417 17.974
10 HA SER 3 HA SER 3 -3.253 -22.478 18.080
11 HB2 SER 3 1HB SER 3 -1.192 -20.882 19.521
12 HB3 SER 3 2HB SER 3 -2.721 -20.087 19.147
13 HG SER 3 HG SER 3 -3.683 -21.276 20.596
14 H GLY 4 H GLY 4 -4.042 -21.982 16.128
15 HA2 GLY 4 1HA GLY 4 -2.855 -20.658 14.049
16 HA3 GLY 4 2HA GLY 4 -4.591 -20.657 14.326
17 H SER 5 H SER 5 -5.476 -18.965 15.701
18 HA SER 5 HA SER 5 -5.810 -16.744 16.090
19 HB2 SER 5 1HB SER 5 -4.127 -17.385 17.874
20 HB3 SER 5 2HB SER 5 -2.880 -16.697 16.833
21 HG SER 5 HG SER 5 -5.113 -15.120 17.358
22 H SER 6 H SER 6 -5.347 -17.282 13.424
23 HA SER 6 HA SER 6 -3.543 -15.153 12.512
24 HB2 SER 6 1HB SER 6 -4.785 -17.509 11.089
25 HB3 SER 6 2HB SER 6 -3.945 -16.215 10.235
26 HG SER 6 HG SER 6 -2.188 -17.249 10.697
27 H GLY 7 H GLY 7 -4.317 -13.896 10.578
28 HA2 GLY 7 1HA GLY 7 -7.208 -13.330 10.813
29 HA3 GLY 7 2HA GLY 7 -6.011 -12.047 10.717
30 H THR 8 H THR 8 -8.338 -12.973 8.971
31 HA THR 8 HA THR 8 -7.308 -13.926 6.529
32 HB THR 8 HB THR 8 -9.403 -13.113 5.517
33 HG1 THR 8 HG1 THR 8 -10.546 -11.603 6.472
34 HG21 THR 8 3HG2 THR 8 -10.971 -14.270 7.242
35 HG22 THR 8 1HG2 THR 8 -9.474 -14.621 8.104
36 HG23 THR 8 2HG2 THR 8 -9.704 -15.213 6.459
37 H LYS 9 H LYS 9 -5.773 -12.926 5.401
38 HA LYS 9 HA LYS 9 -5.732 -9.998 5.297
39 HB2 LYS 9 1HB LYS 9 -3.470 -10.284 4.331
40 HB3 LYS 9 2HB LYS 9 -3.631 -11.032 5.914
41 HG2 LYS 9 1HG LYS 9 -3.472 -13.158 5.083
42 HG3 LYS 9 2HG LYS 9 -4.092 -12.700 3.494
43 HD2 LYS 9 1HD LYS 9 -1.840 -13.084 3.078
44 HD3 LYS 9 2HD LYS 9 -1.902 -11.334 3.298
45 HE2 LYS 9 1HE LYS 9 -1.416 -11.934 5.798
46 HE3 LYS 9 2HE LYS 9 -0.816 -13.443 5.112
47 HZ1 LYS 9 3HZ LYS 9 0.600 -11.139 5.363
48 HZ2 LYS 9 1HZ LYS 9 0.154 -11.127 3.731
49 HZ3 LYS 9 2HZ LYS 9 1.009 -12.442 4.364
50 H GLU 10 H GLU 10 -7.814 -11.063 3.887
51 HA GLU 10 HA GLU 10 -6.934 -10.895 1.081
52 HB2 GLU 10 1HB GLU 10 -9.341 -12.231 2.317
53 HB3 GLU 10 2HB GLU 10 -9.168 -11.977 0.586
54 HG2 GLU 10 1HG GLU 10 -7.097 -13.307 0.625
55 HG3 GLU 10 2HG GLU 10 -7.351 -13.610 2.343
56 H HIS 11 H HIS 11 -6.946 -8.500 1.833
57 HA HIS 11 HA HIS 11 -9.639 -7.364 1.505
58 HB2 HIS 11 1HB HIS 11 -7.175 -5.909 2.466
59 HB3 HIS 11 2HB HIS 11 -8.852 -5.383 2.588
60 HD1 HIS 11 HD1 HIS 11 -7.208 -5.461 5.120
61 HD2 HIS 11 HD2 HIS 11 -9.439 -8.695 3.768
62 HE1 HIS 11 HE1 HIS 11 -7.644 -6.874 7.154
63 HA PRO 12 HA PRO 12 -8.608 -5.930 -2.525
64 HB2 PRO 12 1HB PRO 12 -10.362 -3.866 -2.714
65 HB3 PRO 12 2HB PRO 12 -10.858 -5.560 -2.806
66 HG2 PRO 12 1HG PRO 12 -10.973 -3.676 -0.482
67 HG3 PRO 12 2HG PRO 12 -12.186 -4.844 -1.037
68 HD2 PRO 12 1HD PRO 12 -10.530 -5.343 1.047
69 HD3 PRO 12 2HD PRO 12 -11.116 -6.623 -0.035
70 H PHE 13 H PHE 13 -8.041 -4.162 0.298
71 HA PHE 13 HA PHE 13 -6.544 -2.124 -1.215
72 HB2 PHE 13 1HB PHE 13 -7.798 -1.797 1.519
73 HB3 PHE 13 2HB PHE 13 -6.920 -0.562 0.623
74 HD1 PHE 13 HD2 PHE 13 -7.887 0.297 -1.526
75 HD2 PHE 13 HD1 PHE 13 -10.086 -2.166 1.160
76 HE1 PHE 13 HE2 PHE 13 -9.986 1.023 -2.585
77 HE2 PHE 13 HE1 PHE 13 -12.189 -1.445 0.106
78 HZ PHE 13 HZ PHE 13 -12.141 0.153 -1.769
79 H LYS 14 H LYS 14 -4.466 -2.677 -1.146
80 HA LYS 14 HA LYS 14 -3.333 -3.490 1.450
81 HB2 LYS 14 1HB LYS 14 -3.414 -5.372 -0.158
82 HB3 LYS 14 2HB LYS 14 -2.446 -4.430 -1.285
83 HG2 LYS 14 1HG LYS 14 -0.813 -4.312 0.798
84 HG3 LYS 14 2HG LYS 14 -1.650 -5.809 1.214
85 HD2 LYS 14 1HD LYS 14 0.055 -6.646 -0.064
86 HD3 LYS 14 2HD LYS 14 -1.163 -6.382 -1.314
87 HE2 LYS 14 1HE LYS 14 0.692 -4.151 -0.667
88 HE3 LYS 14 2HE LYS 14 1.328 -5.519 -1.578
89 HZ1 LYS 14 3HZ LYS 14 -0.981 -3.813 -2.334
90 HZ2 LYS 14 1HZ LYS 14 -0.497 -5.197 -3.178
91 HZ3 LYS 14 2HZ LYS 14 0.533 -3.858 -3.088
92 H CYS 15 H CYS 15 -1.817 -2.172 2.206
93 HA CYS 15 HA CYS 15 -0.986 0.140 0.832
94 HB2 CYS 15 1HB CYS 15 -1.066 -0.114 3.318
95 HB3 CYS 15 2HB CYS 15 0.354 -1.151 3.217
96 H ASN 16 H ASN 16 0.488 0.382 -0.702
97 HA ASN 16 HA ASN 16 2.259 -1.793 -1.388
98 HB2 ASN 16 1HB ASN 16 2.159 0.954 -2.641
99 HB3 ASN 16 2HB ASN 16 2.793 -0.528 -3.351
100 HD21 ASN 16 1HD2 ASN 16 1.516 -1.518 -4.725
101 HD22 ASN 16 2HD2 ASN 16 -0.206 -1.386 -4.795
102 H GLU 17 H GLU 17 2.408 0.913 0.624
103 HA GLU 17 HA GLU 17 5.189 1.519 0.315
104 HB2 GLU 17 1HB GLU 17 3.496 2.154 2.726
105 HB3 GLU 17 2HB GLU 17 4.914 3.013 2.141
106 HG2 GLU 17 1HG GLU 17 3.441 3.401 0.021
107 HG3 GLU 17 2HG GLU 17 2.114 3.068 1.132
108 H CYS 18 H CYS 18 3.273 -0.472 2.508
109 HA CYS 18 HA CYS 18 5.785 -1.612 3.545
110 HB2 CYS 18 1HB CYS 18 4.576 -2.054 5.672
111 HB3 CYS 18 2HB CYS 18 4.729 -0.337 5.313
112 H GLY 19 H GLY 19 2.351 -2.232 2.885
113 HA2 GLY 19 1HA GLY 19 1.997 -4.245 1.434
114 HA3 GLY 19 2HA GLY 19 3.033 -5.091 2.575
115 H LYS 20 H LYS 20 1.062 -2.825 4.106
116 HA LYS 20 HA LYS 20 -0.359 -4.796 5.551
117 HB2 LYS 20 1HB LYS 20 -0.385 -1.824 5.398
118 HB3 LYS 20 2HB LYS 20 -1.788 -2.610 6.111
119 HG2 LYS 20 1HG LYS 20 0.056 -3.894 7.486
120 HG3 LYS 20 2HG LYS 20 1.011 -2.463 7.091
121 HD2 LYS 20 1HD LYS 20 -0.598 -1.023 8.129
122 HD3 LYS 20 2HD LYS 20 -1.728 -2.362 8.348
123 HE2 LYS 20 1HE LYS 20 0.996 -2.172 9.632
124 HE3 LYS 20 2HE LYS 20 -0.521 -1.742 10.422
125 HZ1 LYS 20 3HZ LYS 20 -1.269 -4.044 10.057
126 HZ2 LYS 20 1HZ LYS 20 0.103 -3.956 11.043
127 HZ3 LYS 20 2HZ LYS 20 0.253 -4.430 9.427
128 H THR 21 H THR 21 -2.907 -4.278 5.787
129 HA THR 21 HA THR 21 -4.183 -3.971 3.198
130 HB THR 21 HB THR 21 -5.434 -6.130 3.440
131 HG1 THR 21 HG1 THR 21 -5.080 -7.299 5.160
132 HG21 THR 21 3HG2 THR 21 -2.440 -6.390 3.143
133 HG22 THR 21 1HG2 THR 21 -3.559 -5.903 1.871
134 HG23 THR 21 2HG2 THR 21 -3.644 -7.531 2.545
135 H PHE 22 H PHE 22 -6.345 -3.423 3.328
136 HA PHE 22 HA PHE 22 -7.626 -3.425 5.953
137 HB2 PHE 22 1HB PHE 22 -7.570 -0.921 4.271
138 HB3 PHE 22 2HB PHE 22 -8.156 -1.102 5.921
139 HD1 PHE 22 HD2 PHE 22 -5.046 -1.442 3.902
140 HD2 PHE 22 HD1 PHE 22 -6.782 -0.520 7.678
141 HE1 PHE 22 HE2 PHE 22 -2.834 -0.782 4.754
142 HE2 PHE 22 HE1 PHE 22 -4.573 0.142 8.536
143 HZ PHE 22 HZ PHE 22 -2.595 0.010 7.074
144 H SER 23 H SER 23 -9.859 -3.483 5.896
145 HA SER 23 HA SER 23 -10.995 -4.322 3.367
146 HB2 SER 23 1HB SER 23 -11.442 -5.469 5.591
147 HB3 SER 23 2HB SER 23 -12.434 -4.073 6.012
148 HG SER 23 HG SER 23 -13.840 -4.579 4.406
149 H HIS 24 H HIS 24 -10.226 -1.516 3.727
150 HA HIS 24 HA HIS 24 -12.468 -0.298 2.525
151 HB2 HIS 24 1HB HIS 24 -12.140 0.046 5.462
152 HB3 HIS 24 2HB HIS 24 -12.567 1.475 4.525
153 HD1 HIS 24 HD1 HIS 24 -14.242 -0.690 6.540
154 HD2 HIS 24 HD2 HIS 24 -14.817 0.329 2.554
155 HE1 HIS 24 HE1 HIS 24 -16.641 -1.253 6.042
156 H SER 25 H SER 25 -11.687 1.234 1.236
157 HA SER 25 HA SER 25 -9.017 1.917 1.060
158 HB2 SER 25 1HB SER 25 -9.672 3.630 -0.494
159 HB3 SER 25 2HB SER 25 -10.780 2.274 -0.704
160 HG SER 25 HG SER 25 -12.216 3.810 -0.472
161 H ALA 26 H ALA 26 -11.599 3.500 2.856
162 HA ALA 26 HA ALA 26 -10.394 5.885 3.543
163 HB1 ALA 26 3HB ALA 26 -11.872 5.966 5.433
164 HB2 ALA 26 1HB ALA 26 -12.729 5.232 4.078
165 HB3 ALA 26 2HB ALA 26 -12.105 4.219 5.381
166 H HIS 27 H HIS 27 -10.012 2.707 5.054
167 HA HIS 27 HA HIS 27 -8.351 3.600 7.177
168 HB2 HIS 27 1HB HIS 27 -8.612 0.843 5.957
169 HB3 HIS 27 2HB HIS 27 -7.832 1.209 7.493
170 HD1 HIS 27 HD1 HIS 27 -10.614 -0.454 6.682
171 HD2 HIS 27 HD2 HIS 27 -10.154 3.070 8.833
172 HE1 HIS 27 HE1 HIS 27 -12.686 -0.252 8.093
173 H LEU 28 H LEU 28 -7.608 1.930 4.118
174 HA LEU 28 HA LEU 28 -4.849 1.839 4.366
175 HB2 LEU 28 1HB LEU 28 -5.871 0.627 2.616
176 HB3 LEU 28 2HB LEU 28 -6.631 2.075 1.959
177 HG LEU 28 HG LEU 28 -4.451 2.887 1.211
178 HD11 LEU 28 1HD1 LEU 28 -2.476 1.979 1.771
179 HD12 LEU 28 2HD1 LEU 28 -3.088 0.328 1.673
180 HD13 LEU 28 3HD1 LEU 28 -3.382 1.292 3.120
181 HD21 LEU 28 3HD2 LEU 28 -5.903 1.334 -0.170
182 HD22 LEU 28 1HD2 LEU 28 -4.787 0.046 0.286
183 HD23 LEU 28 2HD2 LEU 28 -4.203 1.436 -0.630
184 H SER 29 H SER 29 -6.724 4.288 2.568
185 HA SER 29 HA SER 29 -4.676 5.995 1.903
186 HB2 SER 29 1HB SER 29 -6.848 6.410 1.008
187 HB3 SER 29 2HB SER 29 -7.550 6.594 2.615
188 HG SER 29 HG SER 29 -6.292 8.491 2.856
189 H LYS 30 H LYS 30 -6.468 5.819 4.941
190 HA LYS 30 HA LYS 30 -5.238 8.097 6.122
191 HB2 LYS 30 1HB LYS 30 -7.427 6.773 6.762
192 HB3 LYS 30 2HB LYS 30 -6.323 5.854 7.775
193 HG2 LYS 30 1HG LYS 30 -5.873 7.646 9.147
194 HG3 LYS 30 2HG LYS 30 -6.312 8.833 7.917
195 HD2 LYS 30 1HD LYS 30 -8.683 8.064 8.142
196 HD3 LYS 30 2HD LYS 30 -8.171 7.070 9.508
197 HE2 LYS 30 1HE LYS 30 -7.674 8.924 10.827
198 HE3 LYS 30 2HE LYS 30 -7.573 10.004 9.437
199 HZ1 LYS 30 3HZ LYS 30 -9.938 9.895 9.172
200 HZ2 LYS 30 1HZ LYS 30 -9.601 10.315 10.776
201 HZ3 LYS 30 2HZ LYS 30 -10.081 8.738 10.397
202 H HIS 31 H HIS 31 -4.558 4.635 6.166
203 HA HIS 31 HA HIS 31 -2.452 4.825 8.091
204 HB2 HIS 31 1HB HIS 31 -3.339 2.691 8.034
205 HB3 HIS 31 2HB HIS 31 -3.505 2.692 6.281
206 HD1 HIS 31 HD1 HIS 31 -1.056 1.990 9.014
207 HD2 HIS 31 HD2 HIS 31 -1.240 1.846 4.865
208 HE1 HIS 31 HE1 HIS 31 0.983 0.706 8.294
209 H GLN 32 H GLN 32 -2.689 5.594 4.808
210 HA GLN 32 HA GLN 32 0.028 5.012 4.078
211 HB2 GLN 32 1HB GLN 32 -2.215 6.528 2.768
212 HB3 GLN 32 2HB GLN 32 -0.590 6.540 2.095
213 HG2 GLN 32 1HG GLN 32 -0.796 3.956 2.241
214 HG3 GLN 32 2HG GLN 32 -2.526 4.283 2.326
215 HE21 GLN 32 1HE2 GLN 32 -0.598 3.116 0.259
216 HE22 GLN 32 2HE2 GLN 32 -1.040 3.923 -1.204
217 H LEU 33 H LEU 33 -1.753 7.801 5.252
218 HA LEU 33 HA LEU 33 0.100 9.812 4.742
219 HB2 LEU 33 1HB LEU 33 -1.763 9.516 7.093
220 HB3 LEU 33 2HB LEU 33 -0.934 11.003 6.638
221 HG LEU 33 HG LEU 33 -2.806 9.637 4.735
222 HD11 LEU 33 1HD1 LEU 33 -4.319 11.623 5.768
223 HD12 LEU 33 2HD1 LEU 33 -3.469 11.073 7.212
224 HD13 LEU 33 3HD1 LEU 33 -4.425 9.934 6.265
225 HD21 LEU 33 3HD2 LEU 33 -1.904 11.292 3.507
226 HD22 LEU 33 1HD2 LEU 33 -1.370 12.196 4.924
227 HD23 LEU 33 2HD2 LEU 33 -3.046 12.310 4.386
228 H ILE 34 H ILE 34 0.186 7.237 7.038
229 HA ILE 34 HA ILE 34 2.024 8.383 8.874
230 HB ILE 34 HB ILE 34 2.116 6.324 9.915
231 HG12 ILE 34 1HG1 ILE 34 1.721 5.129 7.174
232 HG13 ILE 34 2HG1 ILE 34 3.118 4.975 8.234
233 HG21 ILE 34 1HG2 ILE 34 -0.419 5.853 8.391
234 HG22 ILE 34 2HG2 ILE 34 -0.079 5.577 10.099
235 HG23 ILE 34 3HG2 ILE 34 -0.259 7.222 9.491
236 HD11 ILE 34 3HD1 ILE 34 1.567 3.755 9.832
237 HD12 ILE 34 1HD1 ILE 34 0.433 3.670 8.484
238 HD13 ILE 34 2HD1 ILE 34 2.022 2.916 8.349
239 H HIS 35 H HIS 35 2.361 6.827 5.791
240 HA HIS 35 HA HIS 35 5.192 6.331 6.093
241 HB2 HIS 35 1HB HIS 35 3.254 6.034 3.805
242 HB3 HIS 35 2HB HIS 35 4.987 5.807 3.588
243 HD1 HIS 35 HD1 HIS 35 6.026 3.929 5.345
244 HD2 HIS 35 HD2 HIS 35 1.963 3.763 4.493
245 HE1 HIS 35 HE1 HIS 35 5.299 1.607 5.984
246 H ALA 36 H ALA 36 3.109 8.713 4.554
247 HA ALA 36 HA ALA 36 4.967 10.055 2.984
248 HB1 ALA 36 3HB ALA 36 3.325 11.551 2.637
249 HB2 ALA 36 1HB ALA 36 2.335 10.388 3.519
250 HB3 ALA 36 2HB ALA 36 3.023 11.777 4.360
251 H GLY 37 H GLY 37 6.868 10.862 3.578
252 HA2 GLY 37 1HA GLY 37 8.453 12.055 4.734
253 HA3 GLY 37 2HA GLY 37 7.123 12.901 5.510
254 H GLU 38 H GLU 38 6.043 11.721 7.320
255 HA GLU 38 HA GLU 38 7.601 11.258 9.442
256 HB2 GLU 38 1HB GLU 38 5.131 9.637 8.801
257 HB3 GLU 38 2HB GLU 38 5.836 9.841 10.398
258 HG2 GLU 38 1HG GLU 38 5.340 12.195 10.371
259 HG3 GLU 38 2HG GLU 38 4.757 12.085 8.711
260 H ASN 39 H ASN 39 9.395 10.086 9.604
261 HA ASN 39 HA ASN 39 9.352 7.265 9.505
262 HB2 ASN 39 1HB ASN 39 9.342 7.648 7.073
263 HB3 ASN 39 2HB ASN 39 10.807 8.614 7.220
264 HD21 ASN 39 1HD2 ASN 39 9.731 5.720 6.298
265 HD22 ASN 39 2HD2 ASN 39 11.121 4.746 6.623
266 HA PRO 40 HA PRO 40 12.801 8.064 12.128
267 HB2 PRO 40 1HB PRO 40 13.789 5.540 12.285
268 HB3 PRO 40 2HB PRO 40 12.316 6.048 13.119
269 HG2 PRO 40 1HG PRO 40 12.614 4.559 10.539
270 HG3 PRO 40 2HG PRO 40 11.484 4.269 11.874
271 HD2 PRO 40 1HD PRO 40 10.759 5.559 9.607
272 HD3 PRO 40 2HD PRO 40 10.050 5.938 11.189
273 H SER 41 H SER 41 15.148 7.914 12.183
274 HA SER 41 HA SER 41 16.482 8.827 10.037
275 HB2 SER 41 1HB SER 41 17.361 8.396 12.415
276 HB3 SER 41 2HB SER 41 17.814 6.797 11.825
277 HG SER 41 HG SER 41 19.100 9.116 11.509
278 H GLY 42 H GLY 42 16.547 5.361 10.908
279 HA2 GLY 42 1HA GLY 42 16.785 3.483 9.611
280 HA3 GLY 42 2HA GLY 42 16.006 4.404 8.332
281 HA PRO 43 HA PRO 43 20.518 3.458 7.314
282 HB2 PRO 43 1HB PRO 43 20.040 1.840 5.187
283 HB3 PRO 43 2HB PRO 43 20.185 1.235 6.842
284 HG2 PRO 43 1HG PRO 43 17.719 1.808 5.244
285 HG3 PRO 43 2HG PRO 43 18.073 0.427 6.298
286 HD2 PRO 43 1HD PRO 43 16.537 2.510 7.093
287 HD3 PRO 43 2HD PRO 43 17.567 1.601 8.216
288 H SER 44 H SER 44 17.659 4.231 5.421
289 HA SER 44 HA SER 44 19.091 5.296 3.187
290 HB2 SER 44 1HB SER 44 16.218 5.806 3.991
291 HB3 SER 44 2HB SER 44 16.926 6.056 2.395
292 HG SER 44 HG SER 44 17.424 3.706 2.535
293 H SER 45 H SER 45 18.654 7.623 2.488
294 HA SER 45 HA SER 45 19.845 9.361 4.363
295 HB2 SER 45 1HB SER 45 19.856 9.500 1.786
296 HB3 SER 45 2HB SER 45 18.299 10.311 1.958
297 HG SER 45 HG SER 45 20.400 11.228 3.539
298 H GLY 46 H GLY 46 16.583 9.559 2.915
299 HA2 GLY 46 1HA GLY 46 14.574 10.174 3.867
300 HA3 GLY 46 2HA GLY 46 15.352 10.104 5.441
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 6.373 -25.026 -12.652
2 HA2 GLY 1 1HA GLY 1 8.646 -23.162 -12.773
3 HA3 GLY 1 2HA GLY 1 7.026 -22.562 -13.094
4 H SER 2 H SER 2 7.656 -21.129 -11.257
5 HA SER 2 HA SER 2 6.667 -22.303 -8.772
6 HB2 SER 2 1HB SER 2 9.025 -22.481 -8.424
7 HB3 SER 2 2HB SER 2 9.306 -20.858 -9.055
8 HG SER 2 HG SER 2 8.244 -21.653 -6.580
9 H SER 3 H SER 3 5.269 -21.006 -7.758
10 HA SER 3 HA SER 3 4.202 -18.736 -8.886
11 HB2 SER 3 1HB SER 3 3.104 -20.023 -7.091
12 HB3 SER 3 2HB SER 3 4.284 -19.409 -5.933
13 HG SER 3 HG SER 3 2.151 -18.102 -7.176
14 H GLY 4 H GLY 4 6.477 -18.824 -6.134
15 HA2 GLY 4 1HA GLY 4 7.807 -17.168 -5.241
16 HA3 GLY 4 2HA GLY 4 8.212 -16.869 -6.925
17 H SER 5 H SER 5 5.350 -16.282 -4.877
18 HA SER 5 HA SER 5 5.503 -13.446 -5.651
19 HB2 SER 5 1HB SER 5 3.156 -13.332 -6.030
20 HB3 SER 5 2HB SER 5 3.713 -14.762 -6.898
21 HG SER 5 HG SER 5 1.950 -15.416 -5.775
22 H SER 6 H SER 6 3.869 -12.156 -4.209
23 HA SER 6 HA SER 6 3.737 -13.193 -1.488
24 HB2 SER 6 1HB SER 6 5.943 -12.094 -1.626
25 HB3 SER 6 2HB SER 6 5.161 -10.604 -2.154
26 HG SER 6 HG SER 6 5.222 -11.794 0.367
27 H GLY 7 H GLY 7 2.332 -11.976 -0.102
28 HA2 GLY 7 1HA GLY 7 0.809 -10.139 0.246
29 HA3 GLY 7 2HA GLY 7 0.627 -10.019 -1.498
30 H THR 8 H THR 8 -1.134 -10.639 1.031
31 HA THR 8 HA THR 8 -2.385 -13.116 0.132
32 HB THR 8 HB THR 8 -3.826 -12.862 2.137
33 HG1 THR 8 HG1 THR 8 -2.795 -11.146 3.633
34 HG21 THR 8 3HG2 THR 8 -0.844 -12.711 2.566
35 HG22 THR 8 1HG2 THR 8 -1.825 -14.164 2.379
36 HG23 THR 8 2HG2 THR 8 -1.998 -13.163 3.821
37 H LYS 9 H LYS 9 -4.703 -13.231 -0.201
38 HA LYS 9 HA LYS 9 -5.714 -10.804 -1.509
39 HB2 LYS 9 1HB LYS 9 -6.353 -13.728 -1.863
40 HB3 LYS 9 2HB LYS 9 -7.368 -12.461 -2.540
41 HG2 LYS 9 1HG LYS 9 -5.456 -11.621 -3.819
42 HG3 LYS 9 2HG LYS 9 -4.454 -12.913 -3.153
43 HD2 LYS 9 1HD LYS 9 -6.994 -13.469 -4.663
44 HD3 LYS 9 2HD LYS 9 -5.438 -13.286 -5.475
45 HE2 LYS 9 1HE LYS 9 -5.442 -15.547 -5.164
46 HE3 LYS 9 2HE LYS 9 -4.682 -15.045 -3.655
47 HZ1 LYS 9 3HZ LYS 9 -7.501 -15.047 -3.389
48 HZ2 LYS 9 1HZ LYS 9 -6.347 -15.920 -2.512
49 HZ3 LYS 9 2HZ LYS 9 -6.975 -16.554 -3.949
50 H GLU 10 H GLU 10 -5.854 -10.875 1.273
51 HA GLU 10 HA GLU 10 -8.453 -11.772 2.109
52 HB2 GLU 10 1HB GLU 10 -6.463 -9.972 3.501
53 HB3 GLU 10 2HB GLU 10 -7.899 -10.665 4.241
54 HG2 GLU 10 1HG GLU 10 -7.016 -12.894 3.960
55 HG3 GLU 10 2HG GLU 10 -5.611 -12.257 3.106
56 H HIS 11 H HIS 11 -6.987 -8.518 2.065
57 HA HIS 11 HA HIS 11 -9.680 -7.409 1.651
58 HB2 HIS 11 1HB HIS 11 -7.285 -5.805 2.508
59 HB3 HIS 11 2HB HIS 11 -8.992 -5.440 2.737
60 HD1 HIS 11 HD1 HIS 11 -7.178 -5.316 5.151
61 HD2 HIS 11 HD2 HIS 11 -9.182 -8.768 3.995
62 HE1 HIS 11 HE1 HIS 11 -7.341 -6.727 7.227
63 HA PRO 12 HA PRO 12 -8.605 -6.136 -2.419
64 HB2 PRO 12 1HB PRO 12 -10.325 -4.054 -2.703
65 HB3 PRO 12 2HB PRO 12 -10.847 -5.742 -2.730
66 HG2 PRO 12 1HG PRO 12 -10.945 -3.764 -0.485
67 HG3 PRO 12 2HG PRO 12 -12.174 -4.934 -1.000
68 HD2 PRO 12 1HD PRO 12 -10.539 -5.373 1.113
69 HD3 PRO 12 2HD PRO 12 -11.139 -6.687 0.081
70 H PHE 13 H PHE 13 -8.148 -4.168 0.330
71 HA PHE 13 HA PHE 13 -6.612 -2.215 -1.253
72 HB2 PHE 13 1HB PHE 13 -7.822 -1.876 1.499
73 HB3 PHE 13 2HB PHE 13 -6.904 -0.654 0.625
74 HD1 PHE 13 HD2 PHE 13 -7.836 0.255 -1.522
75 HD2 PHE 13 HD1 PHE 13 -10.118 -2.166 1.132
76 HE1 PHE 13 HE2 PHE 13 -9.908 1.056 -2.579
77 HE2 PHE 13 HE1 PHE 13 -12.194 -1.370 0.078
78 HZ PHE 13 HZ PHE 13 -12.091 0.244 -1.779
79 H LYS 14 H LYS 14 -4.494 -2.495 -1.157
80 HA LYS 14 HA LYS 14 -3.310 -3.471 1.357
81 HB2 LYS 14 1HB LYS 14 -3.185 -5.296 -0.183
82 HB3 LYS 14 2HB LYS 14 -2.615 -4.248 -1.475
83 HG2 LYS 14 1HG LYS 14 -0.647 -3.823 0.248
84 HG3 LYS 14 2HG LYS 14 -1.142 -5.420 0.813
85 HD2 LYS 14 1HD LYS 14 -0.837 -6.334 -1.412
86 HD3 LYS 14 2HD LYS 14 -0.444 -4.732 -2.043
87 HE2 LYS 14 1HE LYS 14 1.156 -5.793 0.231
88 HE3 LYS 14 2HE LYS 14 1.439 -6.464 -1.374
89 HZ1 LYS 14 3HZ LYS 14 1.801 -3.680 -0.456
90 HZ2 LYS 14 1HZ LYS 14 1.638 -4.045 -2.100
91 HZ3 LYS 14 2HZ LYS 14 2.920 -4.697 -1.212
92 H CYS 15 H CYS 15 -1.702 -2.269 2.162
93 HA CYS 15 HA CYS 15 -1.058 0.236 1.014
94 HB2 CYS 15 1HB CYS 15 -1.028 -0.262 3.460
95 HB3 CYS 15 2HB CYS 15 0.420 -1.231 3.207
96 H ASN 16 H ASN 16 0.250 0.606 -0.639
97 HA ASN 16 HA ASN 16 2.157 -1.384 -1.502
98 HB2 ASN 16 1HB ASN 16 1.066 1.160 -2.606
99 HB3 ASN 16 2HB ASN 16 2.637 0.622 -3.192
100 HD21 ASN 16 1HD2 ASN 16 0.904 0.744 -5.084
101 HD22 ASN 16 2HD2 ASN 16 0.246 -0.795 -5.511
102 H GLU 17 H GLU 17 2.432 0.342 1.031
103 HA GLU 17 HA GLU 17 5.132 1.374 0.462
104 HB2 GLU 17 1HB GLU 17 3.301 2.171 2.730
105 HB3 GLU 17 2HB GLU 17 4.856 2.889 2.336
106 HG2 GLU 17 1HG GLU 17 3.700 3.352 0.028
107 HG3 GLU 17 2HG GLU 17 2.227 3.196 0.984
108 H CYS 18 H CYS 18 3.188 -0.672 2.511
109 HA CYS 18 HA CYS 18 5.658 -1.711 3.728
110 HB2 CYS 18 1HB CYS 18 4.470 -2.045 5.843
111 HB3 CYS 18 2HB CYS 18 4.468 -0.344 5.387
112 H GLY 19 H GLY 19 2.415 -2.304 2.554
113 HA2 GLY 19 1HA GLY 19 1.990 -4.336 1.317
114 HA3 GLY 19 2HA GLY 19 3.077 -5.173 2.414
115 H LYS 20 H LYS 20 1.008 -2.954 3.946
116 HA LYS 20 HA LYS 20 -0.323 -5.029 5.384
117 HB2 LYS 20 1HB LYS 20 -0.315 -2.057 5.414
118 HB3 LYS 20 2HB LYS 20 -1.722 -2.860 6.099
119 HG2 LYS 20 1HG LYS 20 0.172 -4.261 7.332
120 HG3 LYS 20 2HG LYS 20 1.073 -2.767 7.065
121 HD2 LYS 20 1HD LYS 20 0.113 -2.252 9.066
122 HD3 LYS 20 2HD LYS 20 -1.176 -1.698 7.994
123 HE2 LYS 20 1HE LYS 20 -2.063 -4.127 8.234
124 HE3 LYS 20 2HE LYS 20 -1.030 -4.179 9.662
125 HZ1 LYS 20 3HZ LYS 20 -3.565 -3.267 9.621
126 HZ2 LYS 20 1HZ LYS 20 -2.684 -1.827 9.500
127 HZ3 LYS 20 2HZ LYS 20 -2.417 -2.874 10.801
128 H THR 21 H THR 21 -2.876 -4.391 5.727
129 HA THR 21 HA THR 21 -4.189 -4.025 3.161
130 HB THR 21 HB THR 21 -5.474 -6.108 3.303
131 HG1 THR 21 HG1 THR 21 -5.382 -7.301 5.046
132 HG21 THR 21 3HG2 THR 21 -3.573 -6.233 1.889
133 HG22 THR 21 1HG2 THR 21 -3.563 -7.709 2.854
134 HG23 THR 21 2HG2 THR 21 -2.474 -6.382 3.260
135 H PHE 22 H PHE 22 -6.340 -3.415 3.329
136 HA PHE 22 HA PHE 22 -7.538 -3.310 5.995
137 HB2 PHE 22 1HB PHE 22 -7.470 -0.866 4.226
138 HB3 PHE 22 2HB PHE 22 -8.015 -0.976 5.897
139 HD1 PHE 22 HD2 PHE 22 -4.972 -1.467 3.808
140 HD2 PHE 22 HD1 PHE 22 -6.579 -0.371 7.594
141 HE1 PHE 22 HE2 PHE 22 -2.721 -0.838 4.577
142 HE2 PHE 22 HE1 PHE 22 -4.331 0.261 8.369
143 HZ PHE 22 HZ PHE 22 -2.398 0.026 6.861
144 H SER 23 H SER 23 -9.713 -3.563 6.003
145 HA SER 23 HA SER 23 -11.031 -4.707 3.868
146 HB2 SER 23 1HB SER 23 -13.103 -4.329 5.107
147 HB3 SER 23 2HB SER 23 -11.817 -4.810 6.214
148 HG SER 23 HG SER 23 -12.918 -3.051 7.073
149 H HIS 24 H HIS 24 -11.382 -1.346 5.009
150 HA HIS 24 HA HIS 24 -12.544 -0.651 2.402
151 HB2 HIS 24 1HB HIS 24 -12.784 0.503 5.148
152 HB3 HIS 24 2HB HIS 24 -13.012 1.565 3.762
153 HD1 HIS 24 HD1 HIS 24 -14.425 -1.660 5.177
154 HD2 HIS 24 HD2 HIS 24 -15.509 1.484 2.688
155 HE1 HIS 24 HE1 HIS 24 -16.859 -2.022 4.659
156 H SER 25 H SER 25 -11.918 1.425 1.447
157 HA SER 25 HA SER 25 -9.105 1.647 1.223
158 HB2 SER 25 1HB SER 25 -9.527 3.424 -0.338
159 HB3 SER 25 2HB SER 25 -10.780 2.206 -0.577
160 HG SER 25 HG SER 25 -11.289 4.638 -0.299
161 H ALA 26 H ALA 26 -11.526 3.892 2.567
162 HA ALA 26 HA ALA 26 -10.099 5.984 3.409
163 HB1 ALA 26 3HB ALA 26 -12.529 5.427 3.922
164 HB2 ALA 26 1HB ALA 26 -11.921 4.611 5.363
165 HB3 ALA 26 2HB ALA 26 -11.643 6.339 5.144
166 H HIS 27 H HIS 27 -10.034 2.800 4.941
167 HA HIS 27 HA HIS 27 -8.406 3.512 7.135
168 HB2 HIS 27 1HB HIS 27 -8.820 0.850 5.762
169 HB3 HIS 27 2HB HIS 27 -7.946 1.054 7.278
170 HD1 HIS 27 HD1 HIS 27 -11.046 -0.083 6.248
171 HD2 HIS 27 HD2 HIS 27 -9.891 2.700 9.108
172 HE1 HIS 27 HE1 HIS 27 -12.987 0.093 7.837
173 H LEU 28 H LEU 28 -7.633 2.170 3.942
174 HA LEU 28 HA LEU 28 -4.856 1.931 4.363
175 HB2 LEU 28 1HB LEU 28 -5.816 0.728 2.571
176 HB3 LEU 28 2HB LEU 28 -6.536 2.182 1.885
177 HG LEU 28 HG LEU 28 -4.306 2.979 1.248
178 HD11 LEU 28 1HD1 LEU 28 -3.389 1.214 3.149
179 HD12 LEU 28 2HD1 LEU 28 -2.402 2.077 1.971
180 HD13 LEU 28 3HD1 LEU 28 -2.950 0.436 1.628
181 HD21 LEU 28 3HD2 LEU 28 -4.501 0.184 0.212
182 HD22 LEU 28 1HD2 LEU 28 -4.134 1.679 -0.649
183 HD23 LEU 28 2HD2 LEU 28 -5.786 1.342 -0.133
184 H SER 29 H SER 29 -6.587 4.357 2.397
185 HA SER 29 HA SER 29 -4.543 6.062 1.829
186 HB2 SER 29 1HB SER 29 -6.759 6.446 0.943
187 HB3 SER 29 2HB SER 29 -7.394 6.774 2.555
188 HG SER 29 HG SER 29 -6.461 8.709 2.552
189 H LYS 30 H LYS 30 -6.403 5.930 4.833
190 HA LYS 30 HA LYS 30 -5.179 8.179 6.047
191 HB2 LYS 30 1HB LYS 30 -7.353 6.798 6.662
192 HB3 LYS 30 2HB LYS 30 -6.231 5.923 7.696
193 HG2 LYS 30 1HG LYS 30 -5.685 7.902 8.907
194 HG3 LYS 30 2HG LYS 30 -6.573 8.911 7.763
195 HD2 LYS 30 1HD LYS 30 -8.594 7.404 8.445
196 HD3 LYS 30 2HD LYS 30 -7.610 7.063 9.870
197 HE2 LYS 30 1HE LYS 30 -8.769 8.882 10.622
198 HE3 LYS 30 2HE LYS 30 -7.373 9.689 9.909
199 HZ1 LYS 30 3HZ LYS 30 -9.267 9.345 7.895
200 HZ2 LYS 30 1HZ LYS 30 -8.753 10.794 8.601
201 HZ3 LYS 30 2HZ LYS 30 -10.086 9.970 9.237
202 H HIS 31 H HIS 31 -4.559 4.691 6.268
203 HA HIS 31 HA HIS 31 -2.422 4.924 8.124
204 HB2 HIS 31 1HB HIS 31 -3.328 2.793 8.102
205 HB3 HIS 31 2HB HIS 31 -3.466 2.755 6.347
206 HD1 HIS 31 HD1 HIS 31 -1.067 2.102 9.134
207 HD2 HIS 31 HD2 HIS 31 -1.177 1.882 4.986
208 HE1 HIS 31 HE1 HIS 31 0.982 0.802 8.475
209 H GLN 32 H GLN 32 -2.658 5.622 4.824
210 HA GLN 32 HA GLN 32 0.063 5.027 4.115
211 HB2 GLN 32 1HB GLN 32 -2.164 6.525 2.752
212 HB3 GLN 32 2HB GLN 32 -0.541 6.464 2.078
213 HG2 GLN 32 1HG GLN 32 -0.806 3.900 2.315
214 HG3 GLN 32 2HG GLN 32 -2.528 4.262 2.421
215 HE21 GLN 32 1HE2 GLN 32 0.102 3.772 0.373
216 HE22 GLN 32 2HE2 GLN 32 -0.650 4.226 -1.114
217 H LEU 33 H LEU 33 -1.717 7.807 5.278
218 HA LEU 33 HA LEU 33 0.148 9.814 4.698
219 HB2 LEU 33 1HB LEU 33 -1.784 9.607 7.003
220 HB3 LEU 33 2HB LEU 33 -0.932 11.074 6.524
221 HG LEU 33 HG LEU 33 -2.822 9.629 4.682
222 HD11 LEU 33 1HD1 LEU 33 -3.668 12.077 6.130
223 HD12 LEU 33 2HD1 LEU 33 -3.725 10.543 6.997
224 HD13 LEU 33 3HD1 LEU 33 -4.631 10.741 5.497
225 HD21 LEU 33 3HD2 LEU 33 -1.020 11.743 4.331
226 HD22 LEU 33 1HD2 LEU 33 -2.620 12.481 4.397
227 HD23 LEU 33 2HD2 LEU 33 -2.283 11.211 3.220
228 H ILE 34 H ILE 34 0.246 7.261 6.974
229 HA ILE 34 HA ILE 34 2.016 8.482 8.856
230 HB ILE 34 HB ILE 34 2.075 6.456 9.967
231 HG12 ILE 34 1HG1 ILE 34 1.740 5.195 7.252
232 HG13 ILE 34 2HG1 ILE 34 3.076 5.016 8.384
233 HG21 ILE 34 1HG2 ILE 34 -0.453 6.049 8.396
234 HG22 ILE 34 2HG2 ILE 34 -0.141 5.679 10.091
235 HG23 ILE 34 3HG2 ILE 34 -0.266 7.357 9.564
236 HD11 ILE 34 3HD1 ILE 34 0.291 3.954 8.799
237 HD12 ILE 34 1HD1 ILE 34 1.681 3.012 8.258
238 HD13 ILE 34 2HD1 ILE 34 1.672 3.724 9.872
239 H HIS 35 H HIS 35 2.401 6.787 5.847
240 HA HIS 35 HA HIS 35 5.198 6.226 6.207
241 HB2 HIS 35 1HB HIS 35 3.301 6.031 3.879
242 HB3 HIS 35 2HB HIS 35 5.032 5.786 3.666
243 HD1 HIS 35 HD1 HIS 35 5.978 3.916 5.582
244 HD2 HIS 35 HD2 HIS 35 2.033 3.695 4.300
245 HE1 HIS 35 HE1 HIS 35 5.232 1.572 6.105
246 H ALA 36 H ALA 36 3.272 8.765 4.750
247 HA ALA 36 HA ALA 36 5.621 10.069 3.630
248 HB1 ALA 36 3HB ALA 36 2.929 10.012 2.929
249 HB2 ALA 36 1HB ALA 36 3.204 11.646 3.532
250 HB3 ALA 36 2HB ALA 36 4.191 11.015 2.214
251 H GLY 37 H GLY 37 6.200 12.253 4.160
252 HA2 GLY 37 1HA GLY 37 5.125 13.797 6.204
253 HA3 GLY 37 2HA GLY 37 6.298 12.726 6.956
254 H GLU 38 H GLU 38 5.828 15.616 5.245
255 HA GLU 38 HA GLU 38 8.677 15.850 4.590
256 HB2 GLU 38 1HB GLU 38 6.347 17.616 3.820
257 HB3 GLU 38 2HB GLU 38 8.012 17.850 3.306
258 HG2 GLU 38 1HG GLU 38 7.963 16.077 1.857
259 HG3 GLU 38 2HG GLU 38 6.688 15.245 2.746
260 H ASN 39 H ASN 39 9.824 16.527 6.292
261 HA ASN 39 HA ASN 39 8.941 18.981 7.642
262 HB2 ASN 39 1HB ASN 39 9.880 18.018 9.785
263 HB3 ASN 39 2HB ASN 39 8.387 17.277 9.217
264 HD21 ASN 39 1HD2 ASN 39 8.821 15.405 10.396
265 HD22 ASN 39 2HD2 ASN 39 10.008 14.260 9.882
266 HA PRO 40 HA PRO 40 13.025 20.393 6.824
267 HB2 PRO 40 1HB PRO 40 13.256 22.271 8.770
268 HB3 PRO 40 2HB PRO 40 12.247 22.493 7.336
269 HG2 PRO 40 1HG PRO 40 11.453 21.667 10.102
270 HG3 PRO 40 2HG PRO 40 10.657 22.809 9.004
271 HD2 PRO 40 1HD PRO 40 9.791 20.266 9.338
272 HD3 PRO 40 2HD PRO 40 9.637 21.132 7.796
273 H SER 41 H SER 41 14.375 18.672 7.299
274 HA SER 41 HA SER 41 15.591 18.745 9.967
275 HB2 SER 41 1HB SER 41 15.520 16.399 10.251
276 HB3 SER 41 2HB SER 41 13.903 16.830 9.696
277 HG SER 41 HG SER 41 15.055 16.387 7.503
278 H GLY 42 H GLY 42 17.750 17.794 10.040
279 HA2 GLY 42 1HA GLY 42 19.909 17.776 9.249
280 HA3 GLY 42 2HA GLY 42 19.229 16.833 7.932
281 HA PRO 43 HA PRO 43 19.394 21.513 6.603
282 HB2 PRO 43 1HB PRO 43 21.223 22.992 7.959
283 HB3 PRO 43 2HB PRO 43 19.529 22.872 8.451
284 HG2 PRO 43 1HG PRO 43 21.917 21.413 9.513
285 HG3 PRO 43 2HG PRO 43 20.569 22.147 10.400
286 HD2 PRO 43 1HD PRO 43 20.716 19.488 9.912
287 HD3 PRO 43 2HD PRO 43 19.171 20.358 10.007
288 H SER 44 H SER 44 21.963 19.409 7.452
289 HA SER 44 HA SER 44 24.195 20.442 6.255
290 HB2 SER 44 1HB SER 44 23.977 18.215 7.445
291 HB3 SER 44 2HB SER 44 23.356 17.556 5.932
292 HG SER 44 HG SER 44 25.930 18.271 6.630
293 H SER 45 H SER 45 23.676 21.711 4.464
294 HA SER 45 HA SER 45 23.722 20.348 1.958
295 HB2 SER 45 1HB SER 45 21.160 21.571 2.919
296 HB3 SER 45 2HB SER 45 21.557 21.629 1.202
297 HG SER 45 HG SER 45 20.401 19.760 1.594
298 H GLY 46 H GLY 46 24.161 21.741 0.199
299 HA2 GLY 46 1HA GLY 46 24.836 23.692 -0.840
300 HA3 GLY 46 2HA GLY 46 24.214 24.591 0.536
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -4.445 -29.360 15.329
2 HA2 GLY 1 1HA GLY 1 -2.810 -28.132 16.691
3 HA3 GLY 1 2HA GLY 1 -2.037 -29.518 15.937
4 H SER 2 H SER 2 -1.634 -28.756 13.386
5 HA SER 2 HA SER 2 0.634 -27.107 13.567
6 HB2 SER 2 1HB SER 2 0.786 -27.306 11.175
7 HB3 SER 2 2HB SER 2 0.200 -28.848 11.799
8 HG SER 2 HG SER 2 -1.456 -26.789 10.762
9 H SER 3 H SER 3 0.954 -24.973 13.307
10 HA SER 3 HA SER 3 -1.282 -23.320 12.360
11 HB2 SER 3 1HB SER 3 -1.083 -23.395 14.914
12 HB3 SER 3 2HB SER 3 0.422 -22.499 14.710
13 HG SER 3 HG SER 3 -0.904 -20.853 14.773
14 H GLY 4 H GLY 4 -0.553 -22.383 10.566
15 HA2 GLY 4 1HA GLY 4 1.921 -20.847 10.692
16 HA3 GLY 4 2HA GLY 4 1.867 -22.131 9.493
17 H SER 5 H SER 5 -0.765 -19.994 10.505
18 HA SER 5 HA SER 5 -1.412 -19.399 7.780
19 HB2 SER 5 1HB SER 5 -2.498 -18.292 10.379
20 HB3 SER 5 2HB SER 5 -3.165 -17.933 8.787
21 HG SER 5 HG SER 5 -3.557 -20.183 8.545
22 H SER 6 H SER 6 -0.100 -18.106 6.656
23 HA SER 6 HA SER 6 0.584 -15.496 7.827
24 HB2 SER 6 1HB SER 6 2.520 -17.208 7.716
25 HB3 SER 6 2HB SER 6 2.471 -16.936 5.974
26 HG SER 6 HG SER 6 2.483 -14.563 6.882
27 H GLY 7 H GLY 7 -0.996 -14.398 6.707
28 HA2 GLY 7 1HA GLY 7 -1.524 -13.012 4.898
29 HA3 GLY 7 2HA GLY 7 -0.420 -13.940 3.894
30 H THR 8 H THR 8 -3.306 -14.779 5.811
31 HA THR 8 HA THR 8 -4.266 -16.398 3.584
32 HB THR 8 HB THR 8 -4.336 -17.424 5.791
33 HG1 THR 8 HG1 THR 8 -5.987 -18.175 4.565
34 HG21 THR 8 3HG2 THR 8 -6.191 -15.155 6.525
35 HG22 THR 8 1HG2 THR 8 -4.566 -15.416 7.156
36 HG23 THR 8 2HG2 THR 8 -5.852 -16.564 7.530
37 H LYS 9 H LYS 9 -5.309 -13.657 5.573
38 HA LYS 9 HA LYS 9 -7.789 -13.301 4.214
39 HB2 LYS 9 1HB LYS 9 -7.325 -12.506 6.534
40 HB3 LYS 9 2HB LYS 9 -6.247 -11.290 5.862
41 HG2 LYS 9 1HG LYS 9 -8.215 -10.124 6.206
42 HG3 LYS 9 2HG LYS 9 -8.295 -10.542 4.493
43 HD2 LYS 9 1HD LYS 9 -10.432 -11.030 5.347
44 HD3 LYS 9 2HD LYS 9 -9.620 -12.592 5.218
45 HE2 LYS 9 1HE LYS 9 -8.997 -12.347 7.641
46 HE3 LYS 9 2HE LYS 9 -10.059 -10.941 7.699
47 HZ1 LYS 9 3HZ LYS 9 -10.863 -13.413 8.249
48 HZ2 LYS 9 1HZ LYS 9 -11.225 -13.360 6.597
49 HZ3 LYS 9 2HZ LYS 9 -11.895 -12.216 7.647
50 H GLU 10 H GLU 10 -8.303 -12.062 2.488
51 HA GLU 10 HA GLU 10 -6.142 -10.479 1.261
52 HB2 GLU 10 1HB GLU 10 -7.165 -11.119 -0.958
53 HB3 GLU 10 2HB GLU 10 -6.348 -12.417 -0.098
54 HG2 GLU 10 1HG GLU 10 -8.229 -13.517 -0.707
55 HG3 GLU 10 2HG GLU 10 -8.785 -12.850 0.827
56 H HIS 11 H HIS 11 -6.712 -8.421 1.563
57 HA HIS 11 HA HIS 11 -9.529 -7.656 1.310
58 HB2 HIS 11 1HB HIS 11 -7.132 -6.200 2.435
59 HB3 HIS 11 2HB HIS 11 -8.719 -5.459 2.251
60 HD1 HIS 11 HD1 HIS 11 -8.180 -5.289 4.985
61 HD2 HIS 11 HD2 HIS 11 -9.311 -8.968 3.421
62 HE1 HIS 11 HE1 HIS 11 -8.984 -6.637 6.950
63 HA PRO 12 HA PRO 12 -9.022 -5.742 -2.607
64 HB2 PRO 12 1HB PRO 12 -10.751 -3.659 -2.400
65 HB3 PRO 12 2HB PRO 12 -11.283 -5.336 -2.566
66 HG2 PRO 12 1HG PRO 12 -11.069 -3.652 -0.101
67 HG3 PRO 12 2HG PRO 12 -12.363 -4.761 -0.588
68 HD2 PRO 12 1HD PRO 12 -10.464 -5.442 1.218
69 HD3 PRO 12 2HD PRO 12 -11.205 -6.624 0.119
70 H PHE 13 H PHE 13 -8.011 -4.266 0.238
71 HA PHE 13 HA PHE 13 -6.592 -2.194 -1.291
72 HB2 PHE 13 1HB PHE 13 -7.713 -1.788 1.487
73 HB3 PHE 13 2HB PHE 13 -6.903 -0.588 0.486
74 HD1 PHE 13 HD2 PHE 13 -8.025 0.266 -1.558
75 HD2 PHE 13 HD1 PHE 13 -10.017 -2.241 1.245
76 HE1 PHE 13 HE2 PHE 13 -10.195 0.954 -2.490
77 HE2 PHE 13 HE1 PHE 13 -12.191 -1.558 0.317
78 HZ PHE 13 HZ PHE 13 -12.282 0.043 -1.552
79 H LYS 14 H LYS 14 -4.472 -2.422 -1.116
80 HA LYS 14 HA LYS 14 -3.350 -3.443 1.402
81 HB2 LYS 14 1HB LYS 14 -3.471 -5.222 -0.396
82 HB3 LYS 14 2HB LYS 14 -2.328 -4.256 -1.320
83 HG2 LYS 14 1HG LYS 14 -0.952 -4.402 0.939
84 HG3 LYS 14 2HG LYS 14 -1.910 -5.873 1.128
85 HD2 LYS 14 1HD LYS 14 -0.079 -6.685 -0.002
86 HD3 LYS 14 2HD LYS 14 -1.159 -6.310 -1.346
87 HE2 LYS 14 1HE LYS 14 0.765 -4.249 -0.351
88 HE3 LYS 14 2HE LYS 14 1.329 -5.536 -1.415
89 HZ1 LYS 14 3HZ LYS 14 0.717 -4.063 -2.988
90 HZ2 LYS 14 1HZ LYS 14 -0.404 -3.274 -1.996
91 HZ3 LYS 14 2HZ LYS 14 -0.817 -4.734 -2.744
92 H CYS 15 H CYS 15 -1.765 -2.216 2.185
93 HA CYS 15 HA CYS 15 -0.954 0.160 0.869
94 HB2 CYS 15 1HB CYS 15 -1.073 -0.071 3.332
95 HB3 CYS 15 2HB CYS 15 0.287 -1.188 3.277
96 H ASN 16 H ASN 16 0.424 0.291 -0.765
97 HA ASN 16 HA ASN 16 2.249 -1.833 -1.390
98 HB2 ASN 16 1HB ASN 16 1.016 -0.325 -3.055
99 HB3 ASN 16 2HB ASN 16 2.222 0.898 -2.665
100 HD21 ASN 16 1HD2 ASN 16 1.894 -2.451 -3.745
101 HD22 ASN 16 2HD2 ASN 16 3.294 -2.446 -4.758
102 H GLU 17 H GLU 17 2.377 0.847 0.641
103 HA GLU 17 HA GLU 17 5.149 1.496 0.337
104 HB2 GLU 17 1HB GLU 17 3.389 2.067 2.722
105 HB3 GLU 17 2HB GLU 17 4.859 2.910 2.255
106 HG2 GLU 17 1HG GLU 17 3.615 3.532 0.117
107 HG3 GLU 17 2HG GLU 17 2.160 3.005 0.961
108 H CYS 18 H CYS 18 3.268 -0.534 2.531
109 HA CYS 18 HA CYS 18 5.797 -1.701 3.491
110 HB2 CYS 18 1HB CYS 18 4.705 -2.098 5.669
111 HB3 CYS 18 2HB CYS 18 4.797 -0.383 5.281
112 H GLY 19 H GLY 19 2.365 -2.234 2.819
113 HA2 GLY 19 1HA GLY 19 1.937 -4.257 1.427
114 HA3 GLY 19 2HA GLY 19 2.962 -5.118 2.566
115 H LYS 20 H LYS 20 1.063 -2.789 4.093
116 HA LYS 20 HA LYS 20 -0.391 -4.704 5.575
117 HB2 LYS 20 1HB LYS 20 -0.353 -1.737 5.377
118 HB3 LYS 20 2HB LYS 20 -1.771 -2.477 6.107
119 HG2 LYS 20 1HG LYS 20 0.079 -3.788 7.477
120 HG3 LYS 20 2HG LYS 20 1.023 -2.348 7.085
121 HD2 LYS 20 1HD LYS 20 -0.459 -0.931 8.219
122 HD3 LYS 20 2HD LYS 20 -1.741 -2.143 8.240
123 HE2 LYS 20 1HE LYS 20 -0.221 -3.529 9.714
124 HE3 LYS 20 2HE LYS 20 0.800 -2.098 9.852
125 HZ1 LYS 20 3HZ LYS 20 -1.978 -2.458 10.801
126 HZ2 LYS 20 1HZ LYS 20 -1.286 -0.924 10.625
127 HZ3 LYS 20 2HZ LYS 20 -0.607 -2.039 11.700
128 H THR 21 H THR 21 -2.854 -4.504 5.804
129 HA THR 21 HA THR 21 -4.170 -4.106 3.216
130 HB THR 21 HB THR 21 -5.334 -6.221 3.320
131 HG1 THR 21 HG1 THR 21 -4.362 -7.724 5.046
132 HG21 THR 21 3HG2 THR 21 -3.610 -7.032 2.166
133 HG22 THR 21 1HG2 THR 21 -2.899 -7.584 3.682
134 HG23 THR 21 2HG2 THR 21 -2.486 -5.993 3.041
135 H PHE 22 H PHE 22 -6.273 -3.429 3.339
136 HA PHE 22 HA PHE 22 -7.567 -3.363 5.964
137 HB2 PHE 22 1HB PHE 22 -7.477 -0.914 4.205
138 HB3 PHE 22 2HB PHE 22 -8.049 -1.034 5.866
139 HD1 PHE 22 HD2 PHE 22 -4.969 -1.471 3.822
140 HD2 PHE 22 HD1 PHE 22 -6.645 -0.441 7.597
141 HE1 PHE 22 HE2 PHE 22 -2.738 -0.825 4.633
142 HE2 PHE 22 HE1 PHE 22 -4.417 0.208 8.413
143 HZ PHE 22 HZ PHE 22 -2.459 0.015 6.931
144 H SER 23 H SER 23 -9.690 -3.789 5.884
145 HA SER 23 HA SER 23 -10.914 -4.817 3.624
146 HB2 SER 23 1HB SER 23 -11.620 -5.011 6.094
147 HB3 SER 23 2HB SER 23 -12.486 -3.497 5.831
148 HG SER 23 HG SER 23 -13.934 -5.069 5.365
149 H HIS 24 H HIS 24 -11.219 -1.559 5.007
150 HA HIS 24 HA HIS 24 -12.622 -0.702 2.573
151 HB2 HIS 24 1HB HIS 24 -12.599 0.242 5.395
152 HB3 HIS 24 2HB HIS 24 -12.834 1.453 4.139
153 HD1 HIS 24 HD1 HIS 24 -14.849 -0.161 6.344
154 HD2 HIS 24 HD2 HIS 24 -14.917 -0.015 2.192
155 HE1 HIS 24 HE1 HIS 24 -17.209 -0.734 5.690
156 H SER 25 H SER 25 -12.056 1.434 1.691
157 HA SER 25 HA SER 25 -9.238 1.623 1.268
158 HB2 SER 25 1HB SER 25 -10.935 2.132 -0.487
159 HB3 SER 25 2HB SER 25 -11.402 3.567 0.426
160 HG SER 25 HG SER 25 -8.701 3.234 -0.195
161 H ALA 26 H ALA 26 -11.619 3.872 2.679
162 HA ALA 26 HA ALA 26 -10.190 5.989 3.432
163 HB1 ALA 26 3HB ALA 26 -12.541 4.774 4.368
164 HB2 ALA 26 1HB ALA 26 -11.573 5.144 5.796
165 HB3 ALA 26 2HB ALA 26 -11.989 6.424 4.655
166 H HIS 27 H HIS 27 -10.020 2.841 5.044
167 HA HIS 27 HA HIS 27 -8.282 3.606 7.122
168 HB2 HIS 27 1HB HIS 27 -8.594 0.894 5.818
169 HB3 HIS 27 2HB HIS 27 -7.832 1.202 7.376
170 HD1 HIS 27 HD1 HIS 27 -10.828 -0.079 6.152
171 HD2 HIS 27 HD2 HIS 27 -9.943 2.759 9.055
172 HE1 HIS 27 HE1 HIS 27 -12.868 0.043 7.618
173 H LEU 28 H LEU 28 -7.601 2.046 3.994
174 HA LEU 28 HA LEU 28 -4.830 1.901 4.245
175 HB2 LEU 28 1HB LEU 28 -5.850 0.696 2.498
176 HB3 LEU 28 2HB LEU 28 -6.635 2.138 1.857
177 HG LEU 28 HG LEU 28 -4.462 2.978 1.097
178 HD11 LEU 28 1HD1 LEU 28 -3.423 0.373 2.197
179 HD12 LEU 28 2HD1 LEU 28 -2.999 1.999 2.729
180 HD13 LEU 28 3HD1 LEU 28 -2.517 1.443 1.127
181 HD21 LEU 28 3HD2 LEU 28 -5.992 1.240 -0.161
182 HD22 LEU 28 1HD2 LEU 28 -4.583 0.198 0.042
183 HD23 LEU 28 2HD2 LEU 28 -4.430 1.730 -0.819
184 H SER 29 H SER 29 -6.686 4.353 2.432
185 HA SER 29 HA SER 29 -4.649 6.053 1.756
186 HB2 SER 29 1HB SER 29 -6.291 7.794 1.537
187 HB3 SER 29 2HB SER 29 -7.072 6.273 1.104
188 HG SER 29 HG SER 29 -7.525 7.955 3.254
189 H LYS 30 H LYS 30 -6.385 5.890 4.829
190 HA LYS 30 HA LYS 30 -5.116 8.148 5.997
191 HB2 LYS 30 1HB LYS 30 -7.294 6.970 6.710
192 HB3 LYS 30 2HB LYS 30 -6.248 5.834 7.553
193 HG2 LYS 30 1HG LYS 30 -5.418 7.517 8.989
194 HG3 LYS 30 2HG LYS 30 -6.129 8.802 8.009
195 HD2 LYS 30 1HD LYS 30 -7.667 8.680 9.704
196 HD3 LYS 30 2HD LYS 30 -8.368 7.531 8.562
197 HE2 LYS 30 1HE LYS 30 -8.443 6.298 10.491
198 HE3 LYS 30 2HE LYS 30 -6.867 5.815 9.866
199 HZ1 LYS 30 3HZ LYS 30 -5.786 6.886 11.511
200 HZ2 LYS 30 1HZ LYS 30 -7.244 6.673 12.343
201 HZ3 LYS 30 2HZ LYS 30 -6.905 8.152 11.597
202 H HIS 31 H HIS 31 -4.526 4.654 6.207
203 HA HIS 31 HA HIS 31 -2.372 4.814 8.023
204 HB2 HIS 31 1HB HIS 31 -3.250 2.677 7.883
205 HB3 HIS 31 2HB HIS 31 -3.392 2.736 6.129
206 HD1 HIS 31 HD1 HIS 31 -0.952 1.999 8.869
207 HD2 HIS 31 HD2 HIS 31 -1.123 1.921 4.718
208 HE1 HIS 31 HE1 HIS 31 1.102 0.749 8.135
209 H GLN 32 H GLN 32 -2.609 5.698 4.770
210 HA GLN 32 HA GLN 32 0.126 5.178 4.045
211 HB2 GLN 32 1HB GLN 32 -2.133 6.677 2.739
212 HB3 GLN 32 2HB GLN 32 -0.504 6.707 2.076
213 HG2 GLN 32 1HG GLN 32 -0.747 4.091 2.269
214 HG3 GLN 32 2HG GLN 32 -2.464 4.483 2.200
215 HE21 GLN 32 1HE2 GLN 32 -0.475 3.191 0.310
216 HE22 GLN 32 2HE2 GLN 32 -0.729 4.014 -1.188
217 H LEU 33 H LEU 33 -1.721 7.873 5.306
218 HA LEU 33 HA LEU 33 0.123 9.931 4.837
219 HB2 LEU 33 1HB LEU 33 -1.787 9.654 7.152
220 HB3 LEU 33 2HB LEU 33 -1.033 11.146 6.595
221 HG LEU 33 HG LEU 33 -2.807 9.580 4.761
222 HD11 LEU 33 1HD1 LEU 33 -4.676 11.050 5.549
223 HD12 LEU 33 2HD1 LEU 33 -3.675 11.467 6.940
224 HD13 LEU 33 3HD1 LEU 33 -4.183 9.797 6.689
225 HD21 LEU 33 3HD2 LEU 33 -1.869 12.420 5.007
226 HD22 LEU 33 1HD2 LEU 33 -3.276 11.991 4.034
227 HD23 LEU 33 2HD2 LEU 33 -1.697 11.308 3.648
228 H ILE 34 H ILE 34 0.237 7.281 6.986
229 HA ILE 34 HA ILE 34 1.946 8.461 8.958
230 HB ILE 34 HB ILE 34 2.007 6.398 9.999
231 HG12 ILE 34 1HG1 ILE 34 1.748 5.236 7.234
232 HG13 ILE 34 2HG1 ILE 34 3.049 5.015 8.399
233 HG21 ILE 34 1HG2 ILE 34 -0.195 5.669 10.121
234 HG22 ILE 34 2HG2 ILE 34 -0.352 7.308 9.490
235 HG23 ILE 34 3HG2 ILE 34 -0.480 5.927 8.400
236 HD11 ILE 34 3HD1 ILE 34 1.408 3.781 9.837
237 HD12 ILE 34 1HD1 ILE 34 0.289 3.836 8.475
238 HD13 ILE 34 2HD1 ILE 34 1.831 2.994 8.317
239 H HIS 35 H HIS 35 2.406 6.762 5.941
240 HA HIS 35 HA HIS 35 5.189 6.232 6.314
241 HB2 HIS 35 1HB HIS 35 3.328 6.147 3.958
242 HB3 HIS 35 2HB HIS 35 5.064 5.957 3.733
243 HD1 HIS 35 HD1 HIS 35 6.063 3.996 5.517
244 HD2 HIS 35 HD2 HIS 35 2.110 3.764 4.257
245 HE1 HIS 35 HE1 HIS 35 5.372 1.609 5.905
246 H ALA 36 H ALA 36 3.316 8.884 5.030
247 HA ALA 36 HA ALA 36 5.678 10.217 3.974
248 HB1 ALA 36 3HB ALA 36 4.229 11.175 2.596
249 HB2 ALA 36 1HB ALA 36 2.919 10.299 3.390
250 HB3 ALA 36 2HB ALA 36 3.378 11.905 3.958
251 H GLY 37 H GLY 37 6.243 12.397 4.621
252 HA2 GLY 37 1HA GLY 37 5.855 12.765 7.512
253 HA3 GLY 37 2HA GLY 37 7.179 13.426 6.565
254 H GLU 38 H GLU 38 3.809 13.782 7.436
255 HA GLU 38 HA GLU 38 2.829 15.772 5.941
256 HB2 GLU 38 1HB GLU 38 2.763 15.537 8.946
257 HB3 GLU 38 2HB GLU 38 1.831 16.746 8.072
258 HG2 GLU 38 1HG GLU 38 0.635 15.008 6.884
259 HG3 GLU 38 2HG GLU 38 1.608 13.771 7.676
260 H ASN 39 H ASN 39 4.960 16.393 8.734
261 HA ASN 39 HA ASN 39 5.914 18.808 7.364
262 HB2 ASN 39 1HB ASN 39 4.159 19.235 9.219
263 HB3 ASN 39 2HB ASN 39 5.449 18.801 10.336
264 HD21 ASN 39 1HD2 ASN 39 6.785 20.344 10.964
265 HD22 ASN 39 2HD2 ASN 39 6.954 21.895 10.220
266 HA PRO 40 HA PRO 40 9.883 17.163 8.352
267 HB2 PRO 40 1HB PRO 40 11.350 19.422 8.008
268 HB3 PRO 40 2HB PRO 40 10.682 18.495 6.659
269 HG2 PRO 40 1HG PRO 40 9.636 20.986 7.947
270 HG3 PRO 40 2HG PRO 40 9.742 20.578 6.225
271 HD2 PRO 40 1HD PRO 40 7.437 20.373 7.632
272 HD3 PRO 40 2HD PRO 40 7.834 19.286 6.285
273 H SER 41 H SER 41 9.560 16.724 10.577
274 HA SER 41 HA SER 41 10.793 18.718 12.342
275 HB2 SER 41 1HB SER 41 8.182 17.278 12.800
276 HB3 SER 41 2HB SER 41 9.118 17.967 14.126
277 HG SER 41 HG SER 41 7.385 19.274 12.931
278 H GLY 42 H GLY 42 12.658 17.727 12.828
279 HA2 GLY 42 1HA GLY 42 12.875 15.680 14.642
280 HA3 GLY 42 2HA GLY 42 12.893 14.883 13.076
281 HA PRO 43 HA PRO 43 17.249 16.029 14.178
282 HB2 PRO 43 1HB PRO 43 18.300 13.612 13.525
283 HB3 PRO 43 2HB PRO 43 17.633 13.970 15.123
284 HG2 PRO 43 1HG PRO 43 16.369 12.533 12.821
285 HG3 PRO 43 2HG PRO 43 16.338 12.126 14.547
286 HD2 PRO 43 1HD PRO 43 14.270 13.354 13.303
287 HD3 PRO 43 2HD PRO 43 14.673 13.652 15.006
288 H SER 44 H SER 44 19.224 15.757 12.735
289 HA SER 44 HA SER 44 18.604 16.723 10.144
290 HB2 SER 44 1HB SER 44 20.949 16.914 9.814
291 HB3 SER 44 2HB SER 44 20.686 17.233 11.529
292 HG SER 44 HG SER 44 22.066 15.688 11.840
293 H SER 45 H SER 45 18.474 15.724 8.217
294 HA SER 45 HA SER 45 19.599 13.157 7.690
295 HB2 SER 45 1HB SER 45 16.676 13.372 8.338
296 HB3 SER 45 2HB SER 45 17.235 12.171 7.174
297 HG SER 45 HG SER 45 18.136 12.451 9.853
298 H GLY 46 H GLY 46 19.568 12.635 5.504
299 HA2 GLY 46 1HA GLY 46 19.552 14.658 3.650
300 HA3 GLY 46 2HA GLY 46 19.309 12.966 3.241
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 16.153 -23.759 -0.527
2 HA2 GLY 1 1HA GLY 1 13.689 -24.244 -1.876
3 HA3 GLY 1 2HA GLY 1 14.663 -25.439 -1.032
4 H SER 2 H SER 2 13.186 -22.497 0.271
5 HA SER 2 HA SER 2 11.399 -24.181 1.889
6 HB2 SER 2 1HB SER 2 11.921 -23.030 3.883
7 HB3 SER 2 2HB SER 2 13.486 -23.326 3.125
8 HG SER 2 HG SER 2 12.972 -21.097 2.150
9 H SER 3 H SER 3 9.448 -23.198 2.558
10 HA SER 3 HA SER 3 8.261 -21.507 0.653
11 HB2 SER 3 1HB SER 3 6.301 -21.597 1.997
12 HB3 SER 3 2HB SER 3 7.101 -23.153 2.219
13 HG SER 3 HG SER 3 7.255 -22.712 4.257
14 H GLY 4 H GLY 4 8.566 -19.407 0.359
15 HA2 GLY 4 1HA GLY 4 8.636 -17.623 2.663
16 HA3 GLY 4 2HA GLY 4 10.068 -17.629 1.644
17 H SER 5 H SER 5 6.631 -17.850 0.775
18 HA SER 5 HA SER 5 6.954 -15.343 -0.741
19 HB2 SER 5 1HB SER 5 5.288 -17.733 -1.565
20 HB3 SER 5 2HB SER 5 5.512 -16.244 -2.484
21 HG SER 5 HG SER 5 6.888 -17.944 -3.197
22 H SER 6 H SER 6 6.049 -14.131 0.950
23 HA SER 6 HA SER 6 3.575 -14.747 2.178
24 HB2 SER 6 1HB SER 6 3.704 -12.588 3.180
25 HB3 SER 6 2HB SER 6 5.366 -13.163 3.049
26 HG SER 6 HG SER 6 4.323 -10.939 2.057
27 H GLY 7 H GLY 7 1.588 -14.620 1.381
28 HA2 GLY 7 1HA GLY 7 0.909 -12.507 -0.512
29 HA3 GLY 7 2HA GLY 7 0.726 -14.158 -1.084
30 H THR 8 H THR 8 -0.737 -11.604 0.559
31 HA THR 8 HA THR 8 -2.956 -13.365 1.364
32 HB THR 8 HB THR 8 -1.830 -12.617 3.390
33 HG1 THR 8 HG1 THR 8 -4.317 -12.476 2.977
34 HG21 THR 8 3HG2 THR 8 -2.521 -9.771 2.778
35 HG22 THR 8 1HG2 THR 8 -1.012 -10.455 2.176
36 HG23 THR 8 2HG2 THR 8 -1.332 -10.416 3.910
37 H LYS 9 H LYS 9 -4.659 -12.950 0.131
38 HA LYS 9 HA LYS 9 -5.099 -10.186 -0.788
39 HB2 LYS 9 1HB LYS 9 -4.684 -11.987 -2.527
40 HB3 LYS 9 2HB LYS 9 -6.226 -12.685 -2.049
41 HG2 LYS 9 1HG LYS 9 -7.198 -10.360 -2.551
42 HG3 LYS 9 2HG LYS 9 -5.685 -10.078 -3.414
43 HD2 LYS 9 1HD LYS 9 -7.256 -12.559 -3.962
44 HD3 LYS 9 2HD LYS 9 -7.768 -11.029 -4.678
45 HE2 LYS 9 1HE LYS 9 -6.373 -11.884 -6.309
46 HE3 LYS 9 2HE LYS 9 -5.281 -10.838 -5.403
47 HZ1 LYS 9 3HZ LYS 9 -4.210 -12.620 -4.460
48 HZ2 LYS 9 1HZ LYS 9 -4.569 -13.241 -5.993
49 HZ3 LYS 9 2HZ LYS 9 -5.518 -13.674 -4.662
50 H GLU 10 H GLU 10 -5.927 -10.793 1.753
51 HA GLU 10 HA GLU 10 -8.625 -11.704 1.851
52 HB2 GLU 10 1HB GLU 10 -6.907 -11.667 3.753
53 HB3 GLU 10 2HB GLU 10 -7.301 -9.961 3.919
54 HG2 GLU 10 1HG GLU 10 -8.502 -11.738 5.388
55 HG3 GLU 10 2HG GLU 10 -9.404 -10.378 4.721
56 H HIS 11 H HIS 11 -7.233 -8.461 2.381
57 HA HIS 11 HA HIS 11 -9.851 -7.280 1.853
58 HB2 HIS 11 1HB HIS 11 -7.364 -5.768 2.623
59 HB3 HIS 11 2HB HIS 11 -9.046 -5.302 2.860
60 HD1 HIS 11 HD1 HIS 11 -6.987 -5.362 5.188
61 HD2 HIS 11 HD2 HIS 11 -9.621 -8.440 4.267
62 HE1 HIS 11 HE1 HIS 11 -7.258 -6.674 7.316
63 HA PRO 12 HA PRO 12 -8.870 -6.103 -2.269
64 HB2 PRO 12 1HB PRO 12 -10.518 -3.961 -2.528
65 HB3 PRO 12 2HB PRO 12 -11.105 -5.628 -2.510
66 HG2 PRO 12 1HG PRO 12 -11.051 -3.615 -0.295
67 HG3 PRO 12 2HG PRO 12 -12.340 -4.744 -0.749
68 HD2 PRO 12 1HD PRO 12 -10.651 -5.215 1.314
69 HD3 PRO 12 2HD PRO 12 -11.335 -6.520 0.323
70 H PHE 13 H PHE 13 -8.276 -4.088 0.430
71 HA PHE 13 HA PHE 13 -6.696 -2.241 -1.236
72 HB2 PHE 13 1HB PHE 13 -7.778 -1.756 1.547
73 HB3 PHE 13 2HB PHE 13 -6.920 -0.592 0.542
74 HD1 PHE 13 HD2 PHE 13 -7.997 0.133 -1.632
75 HD2 PHE 13 HD1 PHE 13 -10.093 -1.994 1.401
76 HE1 PHE 13 HE2 PHE 13 -10.136 0.881 -2.590
77 HE2 PHE 13 HE1 PHE 13 -12.235 -1.251 0.447
78 HZ PHE 13 HZ PHE 13 -12.259 0.190 -1.551
79 H LYS 14 H LYS 14 -4.585 -2.573 -1.159
80 HA LYS 14 HA LYS 14 -3.392 -3.523 1.360
81 HB2 LYS 14 1HB LYS 14 -3.452 -5.373 -0.235
82 HB3 LYS 14 2HB LYS 14 -2.648 -4.379 -1.443
83 HG2 LYS 14 1HG LYS 14 -0.824 -4.188 0.469
84 HG3 LYS 14 2HG LYS 14 -1.542 -5.727 0.953
85 HD2 LYS 14 1HD LYS 14 -1.265 -6.367 -1.538
86 HD3 LYS 14 2HD LYS 14 -0.133 -5.014 -1.595
87 HE2 LYS 14 1HE LYS 14 1.323 -6.019 -0.067
88 HE3 LYS 14 2HE LYS 14 0.092 -7.144 0.504
89 HZ1 LYS 14 3HZ LYS 14 0.238 -7.839 -2.055
90 HZ2 LYS 14 1HZ LYS 14 1.186 -8.550 -0.847
91 HZ3 LYS 14 2HZ LYS 14 1.830 -7.321 -1.815
92 H CYS 15 H CYS 15 -1.803 -2.283 2.114
93 HA CYS 15 HA CYS 15 -1.036 0.101 0.790
94 HB2 CYS 15 1HB CYS 15 -1.097 -0.121 3.248
95 HB3 CYS 15 2HB CYS 15 0.249 -1.253 3.171
96 H ASN 16 H ASN 16 0.581 0.512 -0.577
97 HA ASN 16 HA ASN 16 2.322 -1.684 -1.363
98 HB2 ASN 16 1HB ASN 16 1.513 0.924 -2.568
99 HB3 ASN 16 2HB ASN 16 3.053 0.225 -3.059
100 HD21 ASN 16 1HD2 ASN 16 0.329 0.624 -4.353
101 HD22 ASN 16 2HD2 ASN 16 -0.021 -0.916 -5.053
102 H GLU 17 H GLU 17 2.418 0.955 0.720
103 HA GLU 17 HA GLU 17 5.200 1.607 0.425
104 HB2 GLU 17 1HB GLU 17 3.488 2.230 2.823
105 HB3 GLU 17 2HB GLU 17 4.892 3.108 2.232
106 HG2 GLU 17 1HG GLU 17 3.547 3.654 0.177
107 HG3 GLU 17 2HG GLU 17 2.146 2.998 1.022
108 H CYS 18 H CYS 18 3.285 -0.523 2.441
109 HA CYS 18 HA CYS 18 5.783 -1.604 3.564
110 HB2 CYS 18 1HB CYS 18 4.605 -2.046 5.677
111 HB3 CYS 18 2HB CYS 18 4.628 -0.326 5.302
112 H GLY 19 H GLY 19 2.387 -2.232 2.765
113 HA2 GLY 19 1HA GLY 19 2.010 -4.212 1.330
114 HA3 GLY 19 2HA GLY 19 3.114 -5.073 2.392
115 H LYS 20 H LYS 20 0.968 -2.859 3.893
116 HA LYS 20 HA LYS 20 -0.315 -4.983 5.338
117 HB2 LYS 20 1HB LYS 20 -0.306 -2.011 5.441
118 HB3 LYS 20 2HB LYS 20 -1.703 -2.833 6.122
119 HG2 LYS 20 1HG LYS 20 0.207 -4.261 7.298
120 HG3 LYS 20 2HG LYS 20 1.103 -2.759 7.057
121 HD2 LYS 20 1HD LYS 20 0.165 -2.296 9.082
122 HD3 LYS 20 2HD LYS 20 -1.136 -1.718 8.039
123 HE2 LYS 20 1HE LYS 20 -2.146 -4.025 8.235
124 HE3 LYS 20 2HE LYS 20 -0.957 -4.346 9.497
125 HZ1 LYS 20 3HZ LYS 20 -2.270 -3.339 10.945
126 HZ2 LYS 20 1HZ LYS 20 -3.417 -3.045 9.736
127 HZ3 LYS 20 2HZ LYS 20 -2.210 -1.903 10.054
128 H THR 21 H THR 21 -2.865 -4.345 5.716
129 HA THR 21 HA THR 21 -4.180 -3.954 3.147
130 HB THR 21 HB THR 21 -5.588 -6.020 3.515
131 HG1 THR 21 HG1 THR 21 -5.100 -6.566 5.614
132 HG21 THR 21 3HG2 THR 21 -4.282 -7.105 2.041
133 HG22 THR 21 1HG2 THR 21 -2.900 -7.123 3.136
134 HG23 THR 21 2HG2 THR 21 -3.233 -5.693 2.159
135 H PHE 22 H PHE 22 -6.434 -3.520 3.321
136 HA PHE 22 HA PHE 22 -7.585 -3.274 5.977
137 HB2 PHE 22 1HB PHE 22 -7.563 -0.830 4.221
138 HB3 PHE 22 2HB PHE 22 -7.952 -0.948 5.934
139 HD1 PHE 22 HD2 PHE 22 -5.128 -1.398 3.554
140 HD2 PHE 22 HD1 PHE 22 -6.351 -0.415 7.511
141 HE1 PHE 22 HE2 PHE 22 -2.811 -0.791 4.116
142 HE2 PHE 22 HE1 PHE 22 -4.036 0.194 8.079
143 HZ PHE 22 HZ PHE 22 -2.262 0.005 6.381
144 H SER 23 H SER 23 -9.712 -3.672 5.954
145 HA SER 23 HA SER 23 -11.034 -4.702 3.772
146 HB2 SER 23 1HB SER 23 -13.143 -4.258 5.059
147 HB3 SER 23 2HB SER 23 -11.886 -5.063 5.998
148 HG SER 23 HG SER 23 -12.422 -3.472 7.324
149 H HIS 24 H HIS 24 -11.388 -1.408 5.089
150 HA HIS 24 HA HIS 24 -12.674 -0.596 2.581
151 HB2 HIS 24 1HB HIS 24 -12.740 0.412 5.381
152 HB3 HIS 24 2HB HIS 24 -12.941 1.591 4.089
153 HD1 HIS 24 HD1 HIS 24 -15.001 -0.034 6.271
154 HD2 HIS 24 HD2 HIS 24 -14.976 0.127 2.119
155 HE1 HIS 24 HE1 HIS 24 -17.342 -0.616 5.561
156 H SER 25 H SER 25 -12.012 1.341 1.511
157 HA SER 25 HA SER 25 -9.219 1.568 1.205
158 HB2 SER 25 1HB SER 25 -10.985 2.110 -0.530
159 HB3 SER 25 2HB SER 25 -11.257 3.623 0.334
160 HG SER 25 HG SER 25 -9.524 3.271 -1.518
161 H ALA 26 H ALA 26 -11.568 3.891 2.548
162 HA ALA 26 HA ALA 26 -10.098 5.976 3.308
163 HB1 ALA 26 3HB ALA 26 -11.745 6.491 4.759
164 HB2 ALA 26 1HB ALA 26 -12.539 5.095 4.029
165 HB3 ALA 26 2HB ALA 26 -11.679 4.921 5.559
166 H HIS 27 H HIS 27 -9.982 2.816 4.873
167 HA HIS 27 HA HIS 27 -8.293 3.558 7.014
168 HB2 HIS 27 1HB HIS 27 -8.737 0.875 5.692
169 HB3 HIS 27 2HB HIS 27 -7.836 1.106 7.188
170 HD1 HIS 27 HD1 HIS 27 -10.993 0.024 6.174
171 HD2 HIS 27 HD2 HIS 27 -9.711 2.698 9.084
172 HE1 HIS 27 HE1 HIS 27 -12.895 0.201 7.810
173 H LEU 28 H LEU 28 -7.598 2.075 3.858
174 HA LEU 28 HA LEU 28 -4.834 1.827 4.163
175 HB2 LEU 28 1HB LEU 28 -5.815 0.692 2.363
176 HB3 LEU 28 2HB LEU 28 -6.609 2.149 1.767
177 HG LEU 28 HG LEU 28 -4.468 3.023 1.003
178 HD11 LEU 28 1HD1 LEU 28 -2.925 0.594 1.269
179 HD12 LEU 28 2HD1 LEU 28 -3.380 1.250 2.841
180 HD13 LEU 28 3HD1 LEU 28 -2.500 2.254 1.689
181 HD21 LEU 28 3HD2 LEU 28 -5.931 1.126 -0.205
182 HD22 LEU 28 1HD2 LEU 28 -4.383 0.287 -0.102
183 HD23 LEU 28 2HD2 LEU 28 -4.489 1.844 -0.924
184 H SER 29 H SER 29 -6.624 4.403 2.460
185 HA SER 29 HA SER 29 -4.481 6.053 1.880
186 HB2 SER 29 1HB SER 29 -6.063 7.802 1.529
187 HB3 SER 29 2HB SER 29 -6.891 6.302 1.111
188 HG SER 29 HG SER 29 -7.525 8.120 2.988
189 H LYS 30 H LYS 30 -6.431 5.890 4.824
190 HA LYS 30 HA LYS 30 -5.236 8.105 6.118
191 HB2 LYS 30 1HB LYS 30 -7.426 6.788 6.668
192 HB3 LYS 30 2HB LYS 30 -6.361 5.770 7.627
193 HG2 LYS 30 1HG LYS 30 -5.962 7.397 9.172
194 HG3 LYS 30 2HG LYS 30 -6.201 8.709 8.016
195 HD2 LYS 30 1HD LYS 30 -8.666 7.932 7.996
196 HD3 LYS 30 2HD LYS 30 -8.251 7.094 9.493
197 HE2 LYS 30 1HE LYS 30 -7.559 9.982 9.160
198 HE3 LYS 30 2HE LYS 30 -9.209 9.519 9.571
199 HZ1 LYS 30 3HZ LYS 30 -7.446 8.106 11.228
200 HZ2 LYS 30 1HZ LYS 30 -8.588 9.276 11.665
201 HZ3 LYS 30 2HZ LYS 30 -7.009 9.739 11.275
202 H HIS 31 H HIS 31 -4.473 4.669 6.021
203 HA HIS 31 HA HIS 31 -2.418 4.841 8.016
204 HB2 HIS 31 1HB HIS 31 -3.283 2.701 7.919
205 HB3 HIS 31 2HB HIS 31 -3.425 2.723 6.164
206 HD1 HIS 31 HD1 HIS 31 -1.009 2.004 8.921
207 HD2 HIS 31 HD2 HIS 31 -1.132 1.920 4.769
208 HE1 HIS 31 HE1 HIS 31 1.052 0.750 8.212
209 H GLN 32 H GLN 32 -2.616 5.653 4.742
210 HA GLN 32 HA GLN 32 0.120 5.110 4.048
211 HB2 GLN 32 1HB GLN 32 -2.123 6.603 2.712
212 HB3 GLN 32 2HB GLN 32 -0.488 6.639 2.064
213 HG2 GLN 32 1HG GLN 32 -0.727 4.020 2.275
214 HG3 GLN 32 2HG GLN 32 -2.442 4.411 2.169
215 HE21 GLN 32 1HE2 GLN 32 -0.362 3.136 0.333
216 HE22 GLN 32 2HE2 GLN 32 -0.609 3.938 -1.177
217 H LEU 33 H LEU 33 -1.699 7.818 5.306
218 HA LEU 33 HA LEU 33 0.144 9.871 4.813
219 HB2 LEU 33 1HB LEU 33 -1.751 9.583 7.140
220 HB3 LEU 33 2HB LEU 33 -0.977 11.077 6.615
221 HG LEU 33 HG LEU 33 -2.829 9.543 4.814
222 HD11 LEU 33 1HD1 LEU 33 -4.408 9.937 6.377
223 HD12 LEU 33 2HD1 LEU 33 -4.377 11.556 5.680
224 HD13 LEU 33 3HD1 LEU 33 -3.477 11.216 7.157
225 HD21 LEU 33 3HD2 LEU 33 -2.493 11.220 3.393
226 HD22 LEU 33 1HD2 LEU 33 -1.183 11.753 4.446
227 HD23 LEU 33 2HD2 LEU 33 -2.801 12.428 4.641
228 H ILE 34 H ILE 34 0.168 7.287 7.101
229 HA ILE 34 HA ILE 34 1.915 8.425 9.019
230 HB ILE 34 HB ILE 34 2.002 6.353 10.024
231 HG12 ILE 34 1HG1 ILE 34 1.736 5.166 7.259
232 HG13 ILE 34 2HG1 ILE 34 3.140 5.108 8.319
233 HG21 ILE 34 1HG2 ILE 34 -0.379 7.189 9.461
234 HG22 ILE 34 2HG2 ILE 34 -0.428 5.808 8.365
235 HG23 ILE 34 3HG2 ILE 34 -0.175 5.555 10.092
236 HD11 ILE 34 3HD1 ILE 34 2.194 3.507 9.691
237 HD12 ILE 34 1HD1 ILE 34 0.553 3.874 9.159
238 HD13 ILE 34 2HD1 ILE 34 1.659 3.020 8.083
239 H HIS 35 H HIS 35 2.430 6.665 6.022
240 HA HIS 35 HA HIS 35 5.219 6.246 6.376
241 HB2 HIS 35 1HB HIS 35 3.386 6.168 3.992
242 HB3 HIS 35 2HB HIS 35 5.126 5.965 3.809
243 HD1 HIS 35 HD1 HIS 35 6.139 3.923 5.348
244 HD2 HIS 35 HD2 HIS 35 2.069 3.860 4.514
245 HE1 HIS 35 HE1 HIS 35 5.402 1.557 5.775
246 H ALA 36 H ALA 36 3.288 8.843 5.033
247 HA ALA 36 HA ALA 36 5.640 10.250 4.056
248 HB1 ALA 36 3HB ALA 36 4.214 11.180 2.634
249 HB2 ALA 36 1HB ALA 36 2.917 10.227 3.356
250 HB3 ALA 36 2HB ALA 36 3.266 11.845 3.965
251 H GLY 37 H GLY 37 5.579 9.789 6.857
252 HA2 GLY 37 1HA GLY 37 4.773 12.292 8.099
253 HA3 GLY 37 2HA GLY 37 5.462 10.895 8.914
254 H GLU 38 H GLU 38 7.438 11.291 6.389
255 HA GLU 38 HA GLU 38 9.397 12.714 8.000
256 HB2 GLU 38 1HB GLU 38 11.008 11.990 6.284
257 HB3 GLU 38 2HB GLU 38 10.095 10.640 6.942
258 HG2 GLU 38 1HG GLU 38 8.595 10.793 4.949
259 HG3 GLU 38 2HG GLU 38 9.715 11.977 4.278
260 H ASN 39 H ASN 39 7.397 14.409 7.208
261 HA ASN 39 HA ASN 39 8.814 16.139 5.300
262 HB2 ASN 39 1HB ASN 39 6.490 16.893 4.531
263 HB3 ASN 39 2HB ASN 39 7.041 15.316 3.974
264 HD21 ASN 39 1HD2 ASN 39 4.603 15.287 3.652
265 HD22 ASN 39 2HD2 ASN 39 3.675 14.615 4.946
266 HA PRO 40 HA PRO 40 7.695 18.244 9.340
267 HB2 PRO 40 1HB PRO 40 10.226 19.007 9.960
268 HB3 PRO 40 2HB PRO 40 9.546 17.449 10.445
269 HG2 PRO 40 1HG PRO 40 11.356 18.095 8.150
270 HG3 PRO 40 2HG PRO 40 11.423 16.728 9.276
271 HD2 PRO 40 1HD PRO 40 10.390 16.511 6.783
272 HD3 PRO 40 2HD PRO 40 9.783 15.560 8.154
273 H SER 41 H SER 41 8.076 20.539 9.885
274 HA SER 41 HA SER 41 8.826 22.159 7.546
275 HB2 SER 41 1HB SER 41 6.419 22.579 9.334
276 HB3 SER 41 2HB SER 41 6.953 23.699 8.081
277 HG SER 41 HG SER 41 5.410 22.425 7.157
278 H GLY 42 H GLY 42 10.553 21.591 9.646
279 HA2 GLY 42 1HA GLY 42 10.673 24.202 11.025
280 HA3 GLY 42 2HA GLY 42 11.143 22.701 11.808
281 HA PRO 43 HA PRO 43 15.282 23.237 10.483
282 HB2 PRO 43 1HB PRO 43 16.065 20.682 10.000
283 HB3 PRO 43 2HB PRO 43 15.793 21.312 11.629
284 HG2 PRO 43 1HG PRO 43 13.985 19.654 9.914
285 HG3 PRO 43 2HG PRO 43 14.334 19.502 11.646
286 HD2 PRO 43 1HD PRO 43 12.084 20.684 10.711
287 HD3 PRO 43 2HD PRO 43 12.875 21.194 12.216
288 H SER 44 H SER 44 12.904 22.188 8.363
289 HA SER 44 HA SER 44 14.481 21.519 6.094
290 HB2 SER 44 1HB SER 44 12.420 21.632 4.840
291 HB3 SER 44 2HB SER 44 12.078 20.880 6.398
292 HG SER 44 HG SER 44 11.664 23.322 6.914
293 H SER 45 H SER 45 13.812 22.934 3.987
294 HA SER 45 HA SER 45 15.407 25.216 4.088
295 HB2 SER 45 1HB SER 45 13.256 24.436 2.108
296 HB3 SER 45 2HB SER 45 14.382 25.772 1.865
297 HG SER 45 HG SER 45 15.264 23.141 2.407
298 H GLY 46 H GLY 46 11.855 24.959 4.062
299 HA2 GLY 46 1HA GLY 46 11.749 27.768 4.972
300 HA3 GLY 46 2HA GLY 46 10.484 26.986 4.035
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 4.052 -23.391 15.840
2 HA2 GLY 1 1HA GLY 1 3.969 -21.258 14.997
3 HA3 GLY 1 2HA GLY 1 5.631 -21.506 14.482
4 H SER 2 H SER 2 2.500 -20.961 13.457
5 HA SER 2 HA SER 2 3.283 -21.270 10.686
6 HB2 SER 2 1HB SER 2 2.363 -23.494 11.241
7 HB3 SER 2 2HB SER 2 0.860 -22.734 11.763
8 HG SER 2 HG SER 2 0.286 -22.884 9.756
9 H SER 3 H SER 3 2.417 -19.714 9.451
10 HA SER 3 HA SER 3 0.079 -18.254 10.486
11 HB2 SER 3 1HB SER 3 1.059 -16.148 9.965
12 HB3 SER 3 2HB SER 3 2.295 -17.050 10.841
13 HG SER 3 HG SER 3 3.435 -16.457 9.150
14 H GLY 4 H GLY 4 -1.530 -18.061 9.069
15 HA2 GLY 4 1HA GLY 4 -2.704 -18.096 7.097
16 HA3 GLY 4 2HA GLY 4 -1.235 -17.512 6.330
17 H SER 5 H SER 5 -3.442 -19.914 6.249
18 HA SER 5 HA SER 5 -1.799 -22.212 5.891
19 HB2 SER 5 1HB SER 5 -4.238 -22.271 6.486
20 HB3 SER 5 2HB SER 5 -4.601 -21.770 4.835
21 HG SER 5 HG SER 5 -4.052 -23.700 4.108
22 H SER 6 H SER 6 -3.535 -20.116 3.591
23 HA SER 6 HA SER 6 -1.639 -20.997 1.513
24 HB2 SER 6 1HB SER 6 -3.986 -21.854 1.198
25 HB3 SER 6 2HB SER 6 -4.511 -20.179 1.030
26 HG SER 6 HG SER 6 -3.789 -20.185 -0.938
27 H GLY 7 H GLY 7 -1.714 -19.362 -0.408
28 HA2 GLY 7 1HA GLY 7 -1.427 -16.676 0.780
29 HA3 GLY 7 2HA GLY 7 -0.507 -17.266 -0.596
30 H THR 8 H THR 8 -3.934 -16.876 0.318
31 HA THR 8 HA THR 8 -4.494 -16.026 -2.435
32 HB THR 8 HB THR 8 -6.881 -16.366 -1.851
33 HG1 THR 8 HG1 THR 8 -6.196 -16.160 0.561
34 HG21 THR 8 3HG2 THR 8 -6.209 -18.980 -1.116
35 HG22 THR 8 1HG2 THR 8 -4.841 -18.395 -2.062
36 HG23 THR 8 2HG2 THR 8 -6.466 -18.366 -2.748
37 H LYS 9 H LYS 9 -5.967 -14.223 -2.773
38 HA LYS 9 HA LYS 9 -5.173 -11.890 -1.480
39 HB2 LYS 9 1HB LYS 9 -7.438 -12.604 -3.293
40 HB3 LYS 9 2HB LYS 9 -7.456 -11.034 -2.500
41 HG2 LYS 9 1HG LYS 9 -6.391 -10.486 -4.433
42 HG3 LYS 9 2HG LYS 9 -4.997 -10.911 -3.437
43 HD2 LYS 9 1HD LYS 9 -4.624 -12.034 -5.455
44 HD3 LYS 9 2HD LYS 9 -5.282 -13.276 -4.387
45 HE2 LYS 9 1HE LYS 9 -7.567 -12.553 -5.401
46 HE3 LYS 9 2HE LYS 9 -6.577 -11.870 -6.689
47 HZ1 LYS 9 3HZ LYS 9 -5.532 -14.122 -6.877
48 HZ2 LYS 9 1HZ LYS 9 -7.156 -14.046 -7.344
49 HZ3 LYS 9 2HZ LYS 9 -6.738 -14.705 -5.844
50 H GLU 10 H GLU 10 -6.199 -10.515 0.006
51 HA GLU 10 HA GLU 10 -8.244 -11.824 1.677
52 HB2 GLU 10 1HB GLU 10 -5.834 -11.487 2.604
53 HB3 GLU 10 2HB GLU 10 -6.311 -9.803 2.764
54 HG2 GLU 10 1HG GLU 10 -8.343 -10.727 4.045
55 HG3 GLU 10 2HG GLU 10 -7.393 -12.206 4.174
56 H HIS 11 H HIS 11 -6.856 -8.551 1.427
57 HA HIS 11 HA HIS 11 -9.606 -7.507 1.247
58 HB2 HIS 11 1HB HIS 11 -7.135 -6.203 2.408
59 HB3 HIS 11 2HB HIS 11 -8.704 -5.419 2.249
60 HD1 HIS 11 HD1 HIS 11 -8.137 -5.277 4.976
61 HD2 HIS 11 HD2 HIS 11 -9.364 -8.923 3.407
62 HE1 HIS 11 HE1 HIS 11 -8.948 -6.616 6.943
63 HA PRO 12 HA PRO 12 -8.659 -5.858 -2.717
64 HB2 PRO 12 1HB PRO 12 -10.425 -3.797 -2.785
65 HB3 PRO 12 2HB PRO 12 -10.915 -5.488 -2.942
66 HG2 PRO 12 1HG PRO 12 -10.996 -3.707 -0.537
67 HG3 PRO 12 2HG PRO 12 -12.215 -4.856 -1.120
68 HD2 PRO 12 1HD PRO 12 -10.519 -5.436 0.910
69 HD3 PRO 12 2HD PRO 12 -11.119 -6.671 -0.215
70 H PHE 13 H PHE 13 -8.094 -4.178 0.174
71 HA PHE 13 HA PHE 13 -6.629 -2.071 -1.275
72 HB2 PHE 13 1HB PHE 13 -7.799 -1.896 1.509
73 HB3 PHE 13 2HB PHE 13 -6.970 -0.607 0.643
74 HD1 PHE 13 HD2 PHE 13 -8.019 0.219 -1.533
75 HD2 PHE 13 HD1 PHE 13 -10.097 -2.163 1.317
76 HE1 PHE 13 HE2 PHE 13 -10.164 0.961 -2.482
77 HE2 PHE 13 HE1 PHE 13 -12.246 -1.426 0.372
78 HZ PHE 13 HZ PHE 13 -12.281 0.139 -1.529
79 H LYS 14 H LYS 14 -4.529 -2.501 -1.257
80 HA LYS 14 HA LYS 14 -3.326 -3.497 1.241
81 HB2 LYS 14 1HB LYS 14 -2.995 -5.363 -0.037
82 HB3 LYS 14 2HB LYS 14 -3.037 -4.467 -1.550
83 HG2 LYS 14 1HG LYS 14 -0.807 -4.016 -1.510
84 HG3 LYS 14 2HG LYS 14 -0.723 -4.024 0.254
85 HD2 LYS 14 1HD LYS 14 -0.705 -6.379 0.344
86 HD3 LYS 14 2HD LYS 14 -1.228 -6.526 -1.336
87 HE2 LYS 14 1HE LYS 14 1.402 -5.314 -0.506
88 HE3 LYS 14 2HE LYS 14 1.202 -7.017 -0.914
89 HZ1 LYS 14 3HZ LYS 14 1.060 -6.565 -3.093
90 HZ2 LYS 14 1HZ LYS 14 1.841 -5.121 -2.681
91 HZ3 LYS 14 2HZ LYS 14 0.161 -5.150 -2.867
92 H CYS 15 H CYS 15 -1.622 -2.387 1.998
93 HA CYS 15 HA CYS 15 -0.875 0.059 0.669
94 HB2 CYS 15 1HB CYS 15 -1.184 -0.116 3.145
95 HB3 CYS 15 2HB CYS 15 0.254 -1.131 3.210
96 H ASN 16 H ASN 16 0.537 0.011 -0.950
97 HA ASN 16 HA ASN 16 2.431 -2.078 -1.326
98 HB2 ASN 16 1HB ASN 16 1.424 -0.772 -3.188
99 HB3 ASN 16 2HB ASN 16 2.334 0.639 -2.656
100 HD21 ASN 16 1HD2 ASN 16 3.032 -2.797 -3.228
101 HD22 ASN 16 2HD2 ASN 16 4.434 -2.523 -4.199
102 H GLU 17 H GLU 17 2.465 0.866 0.432
103 HA GLU 17 HA GLU 17 5.211 1.468 0.382
104 HB2 GLU 17 1HB GLU 17 3.401 1.951 2.741
105 HB3 GLU 17 2HB GLU 17 4.798 2.891 2.237
106 HG2 GLU 17 1HG GLU 17 3.405 3.300 0.080
107 HG3 GLU 17 2HG GLU 17 2.043 2.838 1.100
108 H CYS 18 H CYS 18 3.293 -0.501 2.630
109 HA CYS 18 HA CYS 18 5.812 -1.682 3.601
110 HB2 CYS 18 1HB CYS 18 4.699 -2.056 5.765
111 HB3 CYS 18 2HB CYS 18 4.758 -0.345 5.355
112 H GLY 19 H GLY 19 2.405 -2.240 2.846
113 HA2 GLY 19 1HA GLY 19 1.997 -4.273 1.480
114 HA3 GLY 19 2HA GLY 19 3.027 -5.122 2.623
115 H LYS 20 H LYS 20 1.032 -2.782 4.062
116 HA LYS 20 HA LYS 20 -0.389 -4.727 5.565
117 HB2 LYS 20 1HB LYS 20 -0.367 -1.758 5.378
118 HB3 LYS 20 2HB LYS 20 -1.786 -2.510 6.095
119 HG2 LYS 20 1HG LYS 20 0.037 -3.812 7.487
120 HG3 LYS 20 2HG LYS 20 1.009 -2.395 7.086
121 HD2 LYS 20 1HD LYS 20 -0.597 -0.930 8.101
122 HD3 LYS 20 2HD LYS 20 -1.732 -2.261 8.336
123 HE2 LYS 20 1HE LYS 20 -0.644 -1.767 10.427
124 HE3 LYS 20 2HE LYS 20 -0.096 -3.338 9.846
125 HZ1 LYS 20 3HZ LYS 20 1.377 -0.768 9.782
126 HZ2 LYS 20 1HZ LYS 20 1.872 -2.127 8.905
127 HZ3 LYS 20 2HZ LYS 20 1.804 -2.189 10.594
128 H THR 21 H THR 21 -2.874 -4.464 5.786
129 HA THR 21 HA THR 21 -4.174 -4.071 3.198
130 HB THR 21 HB THR 21 -5.356 -6.210 3.319
131 HG1 THR 21 HG1 THR 21 -3.589 -7.066 5.349
132 HG21 THR 21 3HG2 THR 21 -2.805 -5.835 2.465
133 HG22 THR 21 1HG2 THR 21 -3.719 -7.325 2.238
134 HG23 THR 21 2HG2 THR 21 -2.591 -7.179 3.586
135 H PHE 22 H PHE 22 -6.266 -3.385 3.334
136 HA PHE 22 HA PHE 22 -7.566 -3.397 5.961
137 HB2 PHE 22 1HB PHE 22 -7.498 -0.930 4.223
138 HB3 PHE 22 2HB PHE 22 -8.107 -1.072 5.869
139 HD1 PHE 22 HD2 PHE 22 -4.988 -1.372 3.870
140 HD2 PHE 22 HD1 PHE 22 -6.739 -0.550 7.662
141 HE1 PHE 22 HE2 PHE 22 -2.786 -0.700 4.738
142 HE2 PHE 22 HE1 PHE 22 -4.540 0.124 8.535
143 HZ PHE 22 HZ PHE 22 -2.559 0.048 7.074
144 H SER 23 H SER 23 -9.777 -3.550 5.916
145 HA SER 23 HA SER 23 -10.983 -4.708 3.672
146 HB2 SER 23 1HB SER 23 -11.773 -4.994 6.016
147 HB3 SER 23 2HB SER 23 -12.376 -3.337 5.984
148 HG SER 23 HG SER 23 -13.890 -5.138 5.449
149 H HIS 24 H HIS 24 -11.314 -1.423 4.996
150 HA HIS 24 HA HIS 24 -12.612 -0.603 2.491
151 HB2 HIS 24 1HB HIS 24 -12.725 0.399 5.301
152 HB3 HIS 24 2HB HIS 24 -12.984 1.550 3.993
153 HD1 HIS 24 HD1 HIS 24 -15.060 0.193 6.186
154 HD2 HIS 24 HD2 HIS 24 -14.859 -0.360 2.073
155 HE1 HIS 24 HE1 HIS 24 -17.350 -0.587 5.499
156 H SER 25 H SER 25 -12.015 1.493 1.584
157 HA SER 25 HA SER 25 -9.205 1.730 1.278
158 HB2 SER 25 1HB SER 25 -10.718 2.300 -0.547
159 HB3 SER 25 2HB SER 25 -11.432 3.592 0.417
160 HG SER 25 HG SER 25 -8.963 4.188 0.478
161 H ALA 26 H ALA 26 -11.611 3.924 2.729
162 HA ALA 26 HA ALA 26 -10.192 6.019 3.570
163 HB1 ALA 26 3HB ALA 26 -12.576 5.513 4.148
164 HB2 ALA 26 1HB ALA 26 -11.977 4.525 5.481
165 HB3 ALA 26 2HB ALA 26 -11.642 6.257 5.446
166 H HIS 27 H HIS 27 -10.062 2.824 5.090
167 HA HIS 27 HA HIS 27 -8.354 3.522 7.217
168 HB2 HIS 27 1HB HIS 27 -8.703 0.856 5.830
169 HB3 HIS 27 2HB HIS 27 -7.899 1.094 7.378
170 HD1 HIS 27 HD1 HIS 27 -10.856 -0.250 6.317
171 HD2 HIS 27 HD2 HIS 27 -10.030 2.786 9.030
172 HE1 HIS 27 HE1 HIS 27 -12.880 -0.107 7.802
173 H LEU 28 H LEU 28 -7.654 2.137 4.018
174 HA LEU 28 HA LEU 28 -4.874 1.947 4.326
175 HB2 LEU 28 1HB LEU 28 -5.854 0.774 2.539
176 HB3 LEU 28 2HB LEU 28 -6.654 2.219 1.924
177 HG LEU 28 HG LEU 28 -4.457 3.106 1.234
178 HD11 LEU 28 1HD1 LEU 28 -3.507 0.503 2.380
179 HD12 LEU 28 2HD1 LEU 28 -2.906 2.133 2.682
180 HD13 LEU 28 3HD1 LEU 28 -2.596 1.353 1.132
181 HD21 LEU 28 3HD2 LEU 28 -5.984 1.589 -0.185
182 HD22 LEU 28 1HD2 LEU 28 -4.748 0.359 0.078
183 HD23 LEU 28 2HD2 LEU 28 -4.329 1.870 -0.730
184 H SER 29 H SER 29 -6.716 4.433 2.544
185 HA SER 29 HA SER 29 -4.671 6.152 1.933
186 HB2 SER 29 1HB SER 29 -6.311 7.877 1.688
187 HB3 SER 29 2HB SER 29 -7.104 6.360 1.262
188 HG SER 29 HG SER 29 -7.836 6.353 3.525
189 H LYS 30 H LYS 30 -6.435 5.886 4.978
190 HA LYS 30 HA LYS 30 -5.214 8.138 6.214
191 HB2 LYS 30 1HB LYS 30 -7.382 6.780 6.839
192 HB3 LYS 30 2HB LYS 30 -6.259 5.830 7.804
193 HG2 LYS 30 1HG LYS 30 -5.574 7.838 9.003
194 HG3 LYS 30 2HG LYS 30 -6.679 8.805 8.023
195 HD2 LYS 30 1HD LYS 30 -8.539 7.332 8.876
196 HD3 LYS 30 2HD LYS 30 -7.373 6.650 10.013
197 HE2 LYS 30 1HE LYS 30 -7.080 8.729 11.101
198 HE3 LYS 30 2HE LYS 30 -7.904 9.604 9.812
199 HZ1 LYS 30 3HZ LYS 30 -9.214 7.621 11.592
200 HZ2 LYS 30 1HZ LYS 30 -9.971 8.607 10.444
201 HZ3 LYS 30 2HZ LYS 30 -9.272 9.296 11.822
202 H HIS 31 H HIS 31 -4.555 4.658 6.272
203 HA HIS 31 HA HIS 31 -2.412 4.827 8.133
204 HB2 HIS 31 1HB HIS 31 -3.260 2.685 8.041
205 HB3 HIS 31 2HB HIS 31 -3.484 2.733 6.295
206 HD1 HIS 31 HD1 HIS 31 -0.918 2.015 8.923
207 HD2 HIS 31 HD2 HIS 31 -1.285 1.905 4.786
208 HE1 HIS 31 HE1 HIS 31 1.099 0.757 8.102
209 H GLN 32 H GLN 32 -2.683 5.620 4.845
210 HA GLN 32 HA GLN 32 0.045 5.105 4.111
211 HB2 GLN 32 1HB GLN 32 -2.228 6.582 2.807
212 HB3 GLN 32 2HB GLN 32 -0.606 6.614 2.129
213 HG2 GLN 32 1HG GLN 32 -0.750 4.044 2.239
214 HG3 GLN 32 2HG GLN 32 -2.485 4.307 2.407
215 HE21 GLN 32 1HE2 GLN 32 -1.857 2.909 0.310
216 HE22 GLN 32 2HE2 GLN 32 -1.913 3.830 -1.150
217 H LEU 33 H LEU 33 -1.808 7.868 5.253
218 HA LEU 33 HA LEU 33 -0.011 9.920 4.757
219 HB2 LEU 33 1HB LEU 33 -1.802 9.588 7.159
220 HB3 LEU 33 2HB LEU 33 -1.070 11.098 6.621
221 HG LEU 33 HG LEU 33 -2.940 9.571 4.841
222 HD11 LEU 33 1HD1 LEU 33 -3.676 11.532 7.007
223 HD12 LEU 33 2HD1 LEU 33 -4.181 9.848 6.875
224 HD13 LEU 33 3HD1 LEU 33 -4.751 11.033 5.700
225 HD21 LEU 33 3HD2 LEU 33 -3.177 11.605 3.705
226 HD22 LEU 33 1HD2 LEU 33 -1.455 11.503 4.071
227 HD23 LEU 33 2HD2 LEU 33 -2.503 12.535 5.044
228 H ILE 34 H ILE 34 0.208 7.315 6.991
229 HA ILE 34 HA ILE 34 2.041 8.522 8.814
230 HB ILE 34 HB ILE 34 2.168 6.483 9.883
231 HG12 ILE 34 1HG1 ILE 34 1.757 5.240 7.166
232 HG13 ILE 34 2HG1 ILE 34 3.170 5.125 8.210
233 HG21 ILE 34 1HG2 ILE 34 -0.006 5.789 10.163
234 HG22 ILE 34 2HG2 ILE 34 -0.244 7.349 9.378
235 HG23 ILE 34 3HG2 ILE 34 -0.366 5.862 8.438
236 HD11 ILE 34 3HD1 ILE 34 0.940 4.108 9.633
237 HD12 ILE 34 1HD1 ILE 34 0.958 3.376 8.029
238 HD13 ILE 34 2HD1 ILE 34 2.376 3.254 9.070
239 H HIS 35 H HIS 35 2.341 6.805 5.790
240 HA HIS 35 HA HIS 35 5.165 6.348 6.023
241 HB2 HIS 35 1HB HIS 35 3.189 6.100 3.764
242 HB3 HIS 35 2HB HIS 35 4.916 5.870 3.507
243 HD1 HIS 35 HD1 HIS 35 5.961 3.995 5.315
244 HD2 HIS 35 HD2 HIS 35 1.928 3.788 4.341
245 HE1 HIS 35 HE1 HIS 35 5.246 1.658 5.906
246 H ALA 36 H ALA 36 3.098 8.783 4.550
247 HA ALA 36 HA ALA 36 4.942 10.119 2.965
248 HB1 ALA 36 3HB ALA 36 3.051 11.834 4.433
249 HB2 ALA 36 1HB ALA 36 3.336 11.676 2.699
250 HB3 ALA 36 2HB ALA 36 2.336 10.491 3.541
251 H GLY 37 H GLY 37 5.386 12.628 3.645
252 HA2 GLY 37 1HA GLY 37 7.648 12.769 5.081
253 HA3 GLY 37 2HA GLY 37 6.490 14.090 5.073
254 H GLU 38 H GLU 38 4.443 13.269 6.564
255 HA GLU 38 HA GLU 38 5.314 13.593 9.186
256 HB2 GLU 38 1HB GLU 38 2.734 12.450 8.112
257 HB3 GLU 38 2HB GLU 38 3.004 12.800 9.814
258 HG2 GLU 38 1HG GLU 38 3.223 14.851 7.627
259 HG3 GLU 38 2HG GLU 38 1.760 14.558 8.564
260 H ASN 39 H ASN 39 7.046 12.059 9.400
261 HA ASN 39 HA ASN 39 6.107 9.518 10.458
262 HB2 ASN 39 1HB ASN 39 7.517 8.137 9.140
263 HB3 ASN 39 2HB ASN 39 6.697 9.201 8.001
264 HD21 ASN 39 1HD2 ASN 39 7.924 10.130 6.540
265 HD22 ASN 39 2HD2 ASN 39 9.626 10.404 6.662
266 HA PRO 40 HA PRO 40 9.174 10.361 13.494
267 HB2 PRO 40 1HB PRO 40 9.575 7.851 14.448
268 HB3 PRO 40 2HB PRO 40 8.116 8.787 14.792
269 HG2 PRO 40 1HG PRO 40 8.548 6.631 12.761
270 HG3 PRO 40 2HG PRO 40 7.165 6.890 13.841
271 HD2 PRO 40 1HD PRO 40 7.134 7.618 11.233
272 HD3 PRO 40 2HD PRO 40 6.251 8.515 12.486
273 H SER 41 H SER 41 11.356 9.441 14.268
274 HA SER 41 HA SER 41 12.997 8.989 11.886
275 HB2 SER 41 1HB SER 41 14.834 9.858 13.118
276 HB3 SER 41 2HB SER 41 13.463 10.891 13.522
277 HG SER 41 HG SER 41 14.983 9.730 15.221
278 H GLY 42 H GLY 42 14.797 7.476 11.994
279 HA2 GLY 42 1HA GLY 42 15.074 5.541 14.024
280 HA3 GLY 42 2HA GLY 42 14.008 4.906 12.779
281 HA PRO 43 HA PRO 43 18.303 3.778 11.556
282 HB2 PRO 43 1HB PRO 43 17.632 1.301 10.672
283 HB3 PRO 43 2HB PRO 43 18.002 1.649 12.365
284 HG2 PRO 43 1HG PRO 43 15.339 1.376 11.025
285 HG3 PRO 43 2HG PRO 43 15.872 0.743 12.593
286 HD2 PRO 43 1HD PRO 43 14.365 2.980 12.362
287 HD3 PRO 43 2HD PRO 43 15.560 2.763 13.657
288 H SER 44 H SER 44 19.167 3.863 9.526
289 HA SER 44 HA SER 44 17.586 3.391 7.170
290 HB2 SER 44 1HB SER 44 17.644 5.622 6.264
291 HB3 SER 44 2HB SER 44 16.916 5.712 7.867
292 HG SER 44 HG SER 44 18.396 7.308 7.861
293 H SER 45 H SER 45 18.970 2.272 5.980
294 HA SER 45 HA SER 45 21.752 2.279 6.284
295 HB2 SER 45 1HB SER 45 19.986 1.343 4.020
296 HB3 SER 45 2HB SER 45 21.733 1.106 4.026
297 HG SER 45 HG SER 45 20.249 -0.608 4.940
298 H GLY 46 H GLY 46 22.868 4.134 6.056
299 HA2 GLY 46 1HA GLY 46 23.765 5.130 3.715
300 HA3 GLY 46 2HA GLY 46 22.257 6.006 3.934
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 10.292 -22.649 -12.872
2 HA2 GLY 1 1HA GLY 1 8.090 -21.966 -13.849
3 HA3 GLY 1 2HA GLY 1 7.751 -23.686 -13.969
4 H SER 2 H SER 2 6.431 -21.428 -12.487
5 HA SER 2 HA SER 2 6.461 -22.696 -9.826
6 HB2 SER 2 1HB SER 2 5.945 -19.765 -10.375
7 HB3 SER 2 2HB SER 2 6.064 -20.542 -8.797
8 HG SER 2 HG SER 2 7.995 -19.390 -9.787
9 H SER 3 H SER 3 4.788 -23.561 -11.866
10 HA SER 3 HA SER 3 2.233 -22.304 -11.769
11 HB2 SER 3 1HB SER 3 3.170 -24.996 -12.758
12 HB3 SER 3 2HB SER 3 1.476 -24.508 -12.820
13 HG SER 3 HG SER 3 3.665 -23.171 -14.040
14 H GLY 4 H GLY 4 0.272 -23.250 -10.898
15 HA2 GLY 4 1HA GLY 4 -0.920 -24.604 -9.388
16 HA3 GLY 4 2HA GLY 4 0.606 -25.206 -8.758
17 H SER 5 H SER 5 -0.590 -21.882 -9.143
18 HA SER 5 HA SER 5 0.173 -21.330 -6.389
19 HB2 SER 5 1HB SER 5 0.753 -19.782 -8.303
20 HB3 SER 5 2HB SER 5 -0.964 -19.394 -8.414
21 HG SER 5 HG SER 5 -0.569 -19.006 -5.970
22 H SER 6 H SER 6 -1.208 -20.827 -4.758
23 HA SER 6 HA SER 6 -3.985 -21.554 -5.136
24 HB2 SER 6 1HB SER 6 -2.875 -22.403 -3.160
25 HB3 SER 6 2HB SER 6 -2.420 -20.772 -2.666
26 HG SER 6 HG SER 6 -5.129 -21.305 -3.075
27 H GLY 7 H GLY 7 -5.699 -20.209 -5.164
28 HA2 GLY 7 1HA GLY 7 -5.512 -17.566 -5.883
29 HA3 GLY 7 2HA GLY 7 -6.926 -18.263 -5.106
30 H THR 8 H THR 8 -5.468 -15.607 -4.892
31 HA THR 8 HA THR 8 -5.140 -15.625 -1.961
32 HB THR 8 HB THR 8 -3.014 -15.087 -2.913
33 HG1 THR 8 HG1 THR 8 -4.242 -13.515 -1.304
34 HG21 THR 8 3HG2 THR 8 -4.285 -12.845 -4.472
35 HG22 THR 8 1HG2 THR 8 -3.982 -14.438 -5.163
36 HG23 THR 8 2HG2 THR 8 -2.635 -13.453 -4.592
37 H LYS 9 H LYS 9 -7.505 -15.318 -1.961
38 HA LYS 9 HA LYS 9 -8.503 -12.766 -2.904
39 HB2 LYS 9 1HB LYS 9 -9.785 -15.081 -1.457
40 HB3 LYS 9 2HB LYS 9 -10.644 -13.585 -1.797
41 HG2 LYS 9 1HG LYS 9 -11.250 -15.035 -3.524
42 HG3 LYS 9 2HG LYS 9 -10.033 -13.973 -4.235
43 HD2 LYS 9 1HD LYS 9 -8.332 -15.676 -3.938
44 HD3 LYS 9 2HD LYS 9 -9.494 -16.728 -3.127
45 HE2 LYS 9 1HE LYS 9 -10.849 -16.387 -5.359
46 HE3 LYS 9 2HE LYS 9 -9.253 -16.020 -6.011
47 HZ1 LYS 9 3HZ LYS 9 -9.069 -18.337 -4.444
48 HZ2 LYS 9 1HZ LYS 9 -8.832 -18.175 -6.112
49 HZ3 LYS 9 2HZ LYS 9 -10.371 -18.527 -5.507
50 H GLU 10 H GLU 10 -7.328 -11.278 -1.660
51 HA GLU 10 HA GLU 10 -8.023 -11.240 1.204
52 HB2 GLU 10 1HB GLU 10 -5.559 -10.231 -0.216
53 HB3 GLU 10 2HB GLU 10 -5.954 -9.799 1.442
54 HG2 GLU 10 1HG GLU 10 -5.861 -12.138 2.093
55 HG3 GLU 10 2HG GLU 10 -5.510 -12.598 0.428
56 H HIS 11 H HIS 11 -7.762 -8.868 2.071
57 HA HIS 11 HA HIS 11 -9.854 -7.344 1.281
58 HB2 HIS 11 1HB HIS 11 -7.219 -6.223 2.255
59 HB3 HIS 11 2HB HIS 11 -8.789 -5.431 2.358
60 HD1 HIS 11 HD1 HIS 11 -7.988 -5.429 4.990
61 HD2 HIS 11 HD2 HIS 11 -9.195 -9.052 3.353
62 HE1 HIS 11 HE1 HIS 11 -8.512 -6.912 6.952
63 HA PRO 12 HA PRO 12 -8.977 -5.681 -2.697
64 HB2 PRO 12 1HB PRO 12 -10.606 -3.511 -2.631
65 HB3 PRO 12 2HB PRO 12 -11.212 -5.162 -2.808
66 HG2 PRO 12 1HG PRO 12 -11.070 -3.448 -0.357
67 HG3 PRO 12 2HG PRO 12 -12.385 -4.500 -0.912
68 HD2 PRO 12 1HD PRO 12 -10.642 -5.244 1.022
69 HD3 PRO 12 2HD PRO 12 -11.371 -6.406 -0.106
70 H PHE 13 H PHE 13 -8.241 -4.066 0.214
71 HA PHE 13 HA PHE 13 -6.641 -2.075 -1.256
72 HB2 PHE 13 1HB PHE 13 -7.735 -1.764 1.545
73 HB3 PHE 13 2HB PHE 13 -6.907 -0.541 0.588
74 HD1 PHE 13 HD2 PHE 13 -8.030 0.259 -1.548
75 HD2 PHE 13 HD1 PHE 13 -10.048 -1.991 1.448
76 HE1 PHE 13 HE2 PHE 13 -10.192 1.034 -2.428
77 HE2 PHE 13 HE1 PHE 13 -12.215 -1.221 0.572
78 HZ PHE 13 HZ PHE 13 -12.289 0.295 -1.368
79 H LYS 14 H LYS 14 -4.542 -2.468 -1.153
80 HA LYS 14 HA LYS 14 -3.405 -3.497 1.350
81 HB2 LYS 14 1HB LYS 14 -3.487 -5.466 0.057
82 HB3 LYS 14 2HB LYS 14 -3.029 -4.620 -1.416
83 HG2 LYS 14 1HG LYS 14 -1.095 -4.645 0.836
84 HG3 LYS 14 2HG LYS 14 -1.325 -6.132 -0.087
85 HD2 LYS 14 1HD LYS 14 -1.041 -4.545 -2.148
86 HD3 LYS 14 2HD LYS 14 -0.250 -3.489 -0.975
87 HE2 LYS 14 1HE LYS 14 1.332 -5.235 -0.421
88 HE3 LYS 14 2HE LYS 14 0.501 -6.365 -1.488
89 HZ1 LYS 14 3HZ LYS 14 1.027 -4.781 -3.334
90 HZ2 LYS 14 1HZ LYS 14 2.369 -5.556 -2.655
91 HZ3 LYS 14 2HZ LYS 14 2.031 -3.947 -2.257
92 H CYS 15 H CYS 15 -1.897 -2.148 2.047
93 HA CYS 15 HA CYS 15 -0.908 0.016 0.557
94 HB2 CYS 15 1HB CYS 15 -1.005 -0.053 3.035
95 HB3 CYS 15 2HB CYS 15 0.299 -1.236 3.033
96 H ASN 16 H ASN 16 0.919 0.338 -0.613
97 HA ASN 16 HA ASN 16 2.461 -2.053 -1.300
98 HB2 ASN 16 1HB ASN 16 1.988 0.583 -2.665
99 HB3 ASN 16 2HB ASN 16 3.340 -0.442 -3.139
100 HD21 ASN 16 1HD2 ASN 16 2.714 -2.769 -3.555
101 HD22 ASN 16 2HD2 ASN 16 1.261 -3.024 -4.455
102 H GLU 17 H GLU 17 2.692 0.785 0.541
103 HA GLU 17 HA GLU 17 5.499 1.237 0.302
104 HB2 GLU 17 1HB GLU 17 3.622 2.053 2.528
105 HB3 GLU 17 2HB GLU 17 5.227 2.709 2.233
106 HG2 GLU 17 1HG GLU 17 4.167 3.237 -0.136
107 HG3 GLU 17 2HG GLU 17 2.679 3.207 0.809
108 H CYS 18 H CYS 18 3.460 -0.440 2.672
109 HA CYS 18 HA CYS 18 5.899 -1.664 3.785
110 HB2 CYS 18 1HB CYS 18 4.660 -1.957 5.884
111 HB3 CYS 18 2HB CYS 18 4.726 -0.260 5.417
112 H GLY 19 H GLY 19 2.499 -2.242 2.955
113 HA2 GLY 19 1HA GLY 19 2.116 -4.286 1.597
114 HA3 GLY 19 2HA GLY 19 3.150 -5.118 2.749
115 H LYS 20 H LYS 20 0.991 -2.745 3.990
116 HA LYS 20 HA LYS 20 -0.396 -4.732 5.533
117 HB2 LYS 20 1HB LYS 20 -0.331 -1.760 5.416
118 HB3 LYS 20 2HB LYS 20 -1.767 -2.508 6.102
119 HG2 LYS 20 1HG LYS 20 0.006 -3.866 7.490
120 HG3 LYS 20 2HG LYS 20 1.025 -2.474 7.116
121 HD2 LYS 20 1HD LYS 20 -0.378 -0.992 8.252
122 HD3 LYS 20 2HD LYS 20 -1.739 -2.116 8.225
123 HE2 LYS 20 1HE LYS 20 0.804 -2.680 9.728
124 HE3 LYS 20 2HE LYS 20 -0.551 -1.813 10.449
125 HZ1 LYS 20 3HZ LYS 20 -0.511 -4.604 9.454
126 HZ2 LYS 20 1HZ LYS 20 -1.944 -3.784 9.825
127 HZ3 LYS 20 2HZ LYS 20 -0.796 -4.069 11.033
128 H THR 21 H THR 21 -2.869 -4.484 5.731
129 HA THR 21 HA THR 21 -4.141 -4.001 3.141
130 HB THR 21 HB THR 21 -5.361 -6.126 3.221
131 HG1 THR 21 HG1 THR 21 -4.509 -7.734 4.744
132 HG21 THR 21 3HG2 THR 21 -3.614 -6.506 1.821
133 HG22 THR 21 1HG2 THR 21 -3.129 -7.616 3.102
134 HG23 THR 21 2HG2 THR 21 -2.411 -6.008 3.011
135 H PHE 22 H PHE 22 -6.294 -3.420 3.253
136 HA PHE 22 HA PHE 22 -7.588 -3.410 5.877
137 HB2 PHE 22 1HB PHE 22 -7.586 -0.925 4.174
138 HB3 PHE 22 2HB PHE 22 -8.079 -1.096 5.855
139 HD1 PHE 22 HD2 PHE 22 -5.134 -1.195 3.609
140 HD2 PHE 22 HD1 PHE 22 -6.563 -0.726 7.590
141 HE1 PHE 22 HE2 PHE 22 -2.884 -0.512 4.332
142 HE2 PHE 22 HE1 PHE 22 -4.316 -0.042 8.320
143 HZ PHE 22 HZ PHE 22 -2.472 0.065 6.691
144 H SER 23 H SER 23 -9.767 -3.675 5.810
145 HA SER 23 HA SER 23 -10.952 -4.742 3.509
146 HB2 SER 23 1HB SER 23 -13.106 -4.492 4.791
147 HB3 SER 23 2HB SER 23 -11.826 -5.327 5.671
148 HG SER 23 HG SER 23 -12.853 -2.737 6.047
149 H HIS 24 H HIS 24 -11.220 -1.518 4.960
150 HA HIS 24 HA HIS 24 -12.633 -0.608 2.544
151 HB2 HIS 24 1HB HIS 24 -12.710 0.233 5.401
152 HB3 HIS 24 2HB HIS 24 -12.967 1.472 4.176
153 HD1 HIS 24 HD1 HIS 24 -14.391 -1.910 5.162
154 HD2 HIS 24 HD2 HIS 24 -15.523 1.614 3.276
155 HE1 HIS 24 HE1 HIS 24 -16.857 -2.142 4.728
156 H SER 25 H SER 25 -12.029 1.411 1.597
157 HA SER 25 HA SER 25 -9.237 1.737 1.321
158 HB2 SER 25 1HB SER 25 -9.763 3.582 -0.151
159 HB3 SER 25 2HB SER 25 -10.930 2.291 -0.438
160 HG SER 25 HG SER 25 -11.309 4.825 0.566
161 H ALA 26 H ALA 26 -11.687 3.863 2.797
162 HA ALA 26 HA ALA 26 -10.322 5.982 3.658
163 HB1 ALA 26 3HB ALA 26 -11.874 4.626 5.796
164 HB2 ALA 26 1HB ALA 26 -11.915 6.305 5.256
165 HB3 ALA 26 2HB ALA 26 -12.711 5.051 4.304
166 H HIS 27 H HIS 27 -10.057 2.762 5.091
167 HA HIS 27 HA HIS 27 -8.357 3.490 7.228
168 HB2 HIS 27 1HB HIS 27 -8.655 0.825 5.826
169 HB3 HIS 27 2HB HIS 27 -7.850 1.075 7.372
170 HD1 HIS 27 HD1 HIS 27 -10.824 -0.262 6.249
171 HD2 HIS 27 HD2 HIS 27 -9.969 2.628 9.109
172 HE1 HIS 27 HE1 HIS 27 -12.834 -0.195 7.759
173 H LEU 28 H LEU 28 -7.636 2.033 4.058
174 HA LEU 28 HA LEU 28 -4.863 1.940 4.317
175 HB2 LEU 28 1HB LEU 28 -5.862 0.758 2.537
176 HB3 LEU 28 2HB LEU 28 -6.659 2.205 1.924
177 HG LEU 28 HG LEU 28 -4.446 3.090 1.253
178 HD11 LEU 28 1HD1 LEU 28 -3.479 0.372 2.124
179 HD12 LEU 28 2HD1 LEU 28 -3.037 1.926 2.831
180 HD13 LEU 28 3HD1 LEU 28 -2.539 1.532 1.186
181 HD21 LEU 28 3HD2 LEU 28 -6.004 1.157 0.017
182 HD22 LEU 28 1HD2 LEU 28 -4.353 0.558 -0.146
183 HD23 LEU 28 2HD2 LEU 28 -4.771 2.164 -0.745
184 H SER 29 H SER 29 -6.725 4.373 2.482
185 HA SER 29 HA SER 29 -4.747 6.136 1.869
186 HB2 SER 29 1HB SER 29 -7.089 6.415 1.160
187 HB3 SER 29 2HB SER 29 -7.532 6.876 2.804
188 HG SER 29 HG SER 29 -5.810 8.566 2.457
189 H LYS 30 H LYS 30 -6.495 5.935 4.942
190 HA LYS 30 HA LYS 30 -5.223 8.160 6.151
191 HB2 LYS 30 1HB LYS 30 -7.379 6.791 6.821
192 HB3 LYS 30 2HB LYS 30 -6.232 5.869 7.785
193 HG2 LYS 30 1HG LYS 30 -5.501 8.038 8.811
194 HG3 LYS 30 2HG LYS 30 -6.862 8.802 7.986
195 HD2 LYS 30 1HD LYS 30 -8.210 6.847 9.135
196 HD3 LYS 30 2HD LYS 30 -6.849 6.874 10.257
197 HE2 LYS 30 1HE LYS 30 -7.329 9.010 10.991
198 HE3 LYS 30 2HE LYS 30 -8.201 9.432 9.519
199 HZ1 LYS 30 3HZ LYS 30 -9.137 7.986 11.884
200 HZ2 LYS 30 1HZ LYS 30 -9.796 7.556 10.386
201 HZ3 LYS 30 2HZ LYS 30 -9.931 9.147 10.944
202 H HIS 31 H HIS 31 -4.561 4.682 6.192
203 HA HIS 31 HA HIS 31 -2.402 4.829 8.029
204 HB2 HIS 31 1HB HIS 31 -3.276 2.690 7.876
205 HB3 HIS 31 2HB HIS 31 -3.431 2.765 6.124
206 HD1 HIS 31 HD1 HIS 31 -0.977 2.000 8.839
207 HD2 HIS 31 HD2 HIS 31 -1.158 1.995 4.689
208 HE1 HIS 31 HE1 HIS 31 1.083 0.774 8.078
209 H GLN 32 H GLN 32 -2.695 5.746 4.789
210 HA GLN 32 HA GLN 32 0.031 5.249 4.014
211 HB2 GLN 32 1HB GLN 32 -2.237 6.786 2.762
212 HB3 GLN 32 2HB GLN 32 -0.622 6.773 2.067
213 HG2 GLN 32 1HG GLN 32 -0.954 4.155 2.291
214 HG3 GLN 32 2HG GLN 32 -2.652 4.621 2.202
215 HE21 GLN 32 1HE2 GLN 32 -1.102 3.100 0.299
216 HE22 GLN 32 2HE2 GLN 32 -1.151 3.974 -1.190
217 H LEU 33 H LEU 33 -1.786 7.886 5.407
218 HA LEU 33 HA LEU 33 -0.007 9.991 4.910
219 HB2 LEU 33 1HB LEU 33 -1.834 9.563 7.269
220 HB3 LEU 33 2HB LEU 33 -1.062 11.089 6.844
221 HG LEU 33 HG LEU 33 -2.941 9.696 4.959
222 HD11 LEU 33 1HD1 LEU 33 -3.653 11.677 7.117
223 HD12 LEU 33 2HD1 LEU 33 -4.153 9.988 7.041
224 HD13 LEU 33 3HD1 LEU 33 -4.727 11.133 5.828
225 HD21 LEU 33 3HD2 LEU 33 -1.287 11.760 4.524
226 HD22 LEU 33 1HD2 LEU 33 -2.687 12.633 5.146
227 HD23 LEU 33 2HD2 LEU 33 -2.854 11.594 3.731
228 H ILE 34 H ILE 34 0.273 7.278 6.965
229 HA ILE 34 HA ILE 34 2.081 8.434 8.865
230 HB ILE 34 HB ILE 34 2.189 6.369 9.873
231 HG12 ILE 34 1HG1 ILE 34 1.755 5.157 7.138
232 HG13 ILE 34 2HG1 ILE 34 3.232 5.124 8.095
233 HG21 ILE 34 1HG2 ILE 34 -0.196 7.206 9.497
234 HG22 ILE 34 2HG2 ILE 34 -0.333 5.905 8.314
235 HG23 ILE 34 3HG2 ILE 34 0.007 5.529 10.003
236 HD11 ILE 34 3HD1 ILE 34 2.560 3.107 8.739
237 HD12 ILE 34 1HD1 ILE 34 1.407 3.955 9.769
238 HD13 ILE 34 2HD1 ILE 34 0.911 3.379 8.177
239 H HIS 35 H HIS 35 2.368 6.904 5.756
240 HA HIS 35 HA HIS 35 5.186 6.383 5.968
241 HB2 HIS 35 1HB HIS 35 3.199 6.281 3.711
242 HB3 HIS 35 2HB HIS 35 4.923 6.078 3.417
243 HD1 HIS 35 HD1 HIS 35 5.978 4.119 5.174
244 HD2 HIS 35 HD2 HIS 35 1.979 3.908 4.067
245 HE1 HIS 35 HE1 HIS 35 5.286 1.739 5.600
246 H ALA 36 H ALA 36 3.164 8.983 4.803
247 HA ALA 36 HA ALA 36 5.264 10.364 3.422
248 HB1 ALA 36 3HB ALA 36 3.639 11.718 2.679
249 HB2 ALA 36 1HB ALA 36 2.546 10.517 3.367
250 HB3 ALA 36 2HB ALA 36 2.966 11.960 4.291
251 H GLY 37 H GLY 37 3.465 11.062 6.430
252 HA2 GLY 37 1HA GLY 37 4.240 11.965 8.416
253 HA3 GLY 37 2HA GLY 37 5.864 11.954 7.744
254 H GLU 38 H GLU 38 4.143 14.004 9.212
255 HA GLU 38 HA GLU 38 4.110 16.159 7.235
256 HB2 GLU 38 1HB GLU 38 3.112 16.059 10.087
257 HB3 GLU 38 2HB GLU 38 2.991 17.462 9.036
258 HG2 GLU 38 1HG GLU 38 1.330 16.555 7.775
259 HG3 GLU 38 2HG GLU 38 1.869 14.900 8.054
260 H ASN 39 H ASN 39 5.569 15.326 10.353
261 HA ASN 39 HA ASN 39 7.634 17.358 9.831
262 HB2 ASN 39 1HB ASN 39 6.106 18.139 11.610
263 HB3 ASN 39 2HB ASN 39 6.456 16.682 12.535
264 HD21 ASN 39 1HD2 ASN 39 8.340 16.526 13.660
265 HD22 ASN 39 2HD2 ASN 39 9.460 17.830 13.830
266 HA PRO 40 HA PRO 40 9.550 13.174 10.382
267 HB2 PRO 40 1HB PRO 40 11.288 13.448 8.314
268 HB3 PRO 40 2HB PRO 40 9.637 12.849 8.109
269 HG2 PRO 40 1HG PRO 40 10.730 15.594 7.627
270 HG3 PRO 40 2HG PRO 40 9.601 14.650 6.638
271 HD2 PRO 40 1HD PRO 40 8.782 16.622 8.304
272 HD3 PRO 40 2HD PRO 40 7.794 15.186 7.965
273 H SER 41 H SER 41 11.790 12.655 10.884
274 HA SER 41 HA SER 41 13.325 15.012 11.764
275 HB2 SER 41 1HB SER 41 12.806 12.386 13.132
276 HB3 SER 41 2HB SER 41 14.242 13.331 13.524
277 HG SER 41 HG SER 41 12.301 13.738 14.828
278 H GLY 42 H GLY 42 14.721 15.154 10.047
279 HA2 GLY 42 1HA GLY 42 16.782 13.098 9.941
280 HA3 GLY 42 2HA GLY 42 15.898 13.381 8.449
281 HA PRO 43 HA PRO 43 19.557 16.343 8.960
282 HB2 PRO 43 1HB PRO 43 21.098 15.339 6.963
283 HB3 PRO 43 2HB PRO 43 21.205 14.775 8.634
284 HG2 PRO 43 1HG PRO 43 19.765 13.554 6.311
285 HG3 PRO 43 2HG PRO 43 20.752 12.765 7.556
286 HD2 PRO 43 1HD PRO 43 18.045 12.773 7.631
287 HD3 PRO 43 2HD PRO 43 19.041 12.781 9.100
288 H SER 44 H SER 44 20.654 17.462 6.896
289 HA SER 44 HA SER 44 18.530 18.750 5.525
290 HB2 SER 44 1HB SER 44 20.202 20.111 4.520
291 HB3 SER 44 2HB SER 44 20.795 19.747 6.141
292 HG SER 44 HG SER 44 21.780 17.838 4.816
293 H SER 45 H SER 45 18.219 18.873 3.218
294 HA SER 45 HA SER 45 19.075 16.451 1.778
295 HB2 SER 45 1HB SER 45 16.824 16.473 0.660
296 HB3 SER 45 2HB SER 45 16.769 16.103 2.384
297 HG SER 45 HG SER 45 16.339 18.429 2.650
298 H GLY 46 H GLY 46 17.471 19.595 1.226
299 HA2 GLY 46 1HA GLY 46 18.630 21.298 -0.077
300 HA3 GLY 46 2HA GLY 46 19.312 20.000 -1.046
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 15.761 -18.524 -2.088
2 HA2 GLY 1 1HA GLY 1 14.499 -19.971 0.131
3 HA3 GLY 1 2HA GLY 1 14.703 -18.229 0.021
4 H SER 2 H SER 2 13.041 -20.899 -1.652
5 HA SER 2 HA SER 2 11.188 -19.565 -3.113
6 HB2 SER 2 1HB SER 2 11.067 -22.143 -1.602
7 HB3 SER 2 2HB SER 2 9.593 -21.529 -2.350
8 HG SER 2 HG SER 2 11.254 -21.273 -4.237
9 H SER 3 H SER 3 10.977 -20.257 0.356
10 HA SER 3 HA SER 3 8.517 -19.532 1.089
11 HB2 SER 3 1HB SER 3 9.464 -18.509 3.142
12 HB3 SER 3 2HB SER 3 10.250 -20.033 2.730
13 HG SER 3 HG SER 3 11.339 -17.599 3.002
14 H GLY 4 H GLY 4 7.249 -17.727 1.312
15 HA2 GLY 4 1HA GLY 4 7.288 -15.220 1.476
16 HA3 GLY 4 2HA GLY 4 8.299 -15.275 0.039
17 H SER 5 H SER 5 6.981 -17.186 -1.465
18 HA SER 5 HA SER 5 5.185 -15.827 -2.944
19 HB2 SER 5 1HB SER 5 6.046 -18.081 -3.511
20 HB3 SER 5 2HB SER 5 4.950 -18.781 -2.320
21 HG SER 5 HG SER 5 4.436 -18.223 -4.838
22 H SER 6 H SER 6 4.373 -17.806 -0.112
23 HA SER 6 HA SER 6 1.690 -17.801 -0.041
24 HB2 SER 6 1HB SER 6 1.778 -17.806 2.366
25 HB3 SER 6 2HB SER 6 3.217 -18.636 1.773
26 HG SER 6 HG SER 6 4.074 -16.280 1.943
27 H GLY 7 H GLY 7 0.119 -16.354 -0.238
28 HA2 GLY 7 1HA GLY 7 -0.073 -13.935 1.128
29 HA3 GLY 7 2HA GLY 7 0.630 -13.576 -0.442
30 H THR 8 H THR 8 -2.227 -14.121 1.286
31 HA THR 8 HA THR 8 -3.789 -14.563 -1.159
32 HB THR 8 HB THR 8 -5.696 -14.999 0.369
33 HG1 THR 8 HG1 THR 8 -5.357 -15.041 2.569
34 HG21 THR 8 3HG2 THR 8 -5.050 -17.122 0.185
35 HG22 THR 8 1HG2 THR 8 -4.001 -16.919 1.587
36 HG23 THR 8 2HG2 THR 8 -3.378 -16.609 -0.033
37 H LYS 9 H LYS 9 -5.449 -13.185 -1.776
38 HA LYS 9 HA LYS 9 -5.190 -10.455 -0.779
39 HB2 LYS 9 1HB LYS 9 -5.149 -11.063 -3.254
40 HB3 LYS 9 2HB LYS 9 -6.871 -11.387 -3.103
41 HG2 LYS 9 1HG LYS 9 -6.953 -9.235 -3.819
42 HG3 LYS 9 2HG LYS 9 -6.881 -8.954 -2.078
43 HD2 LYS 9 1HD LYS 9 -4.496 -8.567 -2.203
44 HD3 LYS 9 2HD LYS 9 -4.491 -8.970 -3.922
45 HE2 LYS 9 1HE LYS 9 -6.124 -6.717 -2.778
46 HE3 LYS 9 2HE LYS 9 -4.465 -6.503 -3.335
47 HZ1 LYS 9 3HZ LYS 9 -5.481 -6.053 -5.271
48 HZ2 LYS 9 1HZ LYS 9 -6.897 -6.887 -4.867
49 HZ3 LYS 9 2HZ LYS 9 -5.548 -7.735 -5.433
50 H GLU 10 H GLU 10 -6.269 -10.887 1.246
51 HA GLU 10 HA GLU 10 -9.014 -11.713 1.269
52 HB2 GLU 10 1HB GLU 10 -7.260 -10.486 3.401
53 HB3 GLU 10 2HB GLU 10 -8.909 -11.028 3.680
54 HG2 GLU 10 1HG GLU 10 -6.777 -12.851 2.617
55 HG3 GLU 10 2HG GLU 10 -7.051 -12.612 4.342
56 H HIS 11 H HIS 11 -7.336 -8.622 1.800
57 HA HIS 11 HA HIS 11 -9.912 -7.232 1.599
58 HB2 HIS 11 1HB HIS 11 -7.275 -5.978 2.349
59 HB3 HIS 11 2HB HIS 11 -8.899 -5.378 2.675
60 HD1 HIS 11 HD1 HIS 11 -7.220 -5.474 5.072
61 HD2 HIS 11 HD2 HIS 11 -9.279 -8.834 3.755
62 HE1 HIS 11 HE1 HIS 11 -7.435 -6.964 7.087
63 HA PRO 12 HA PRO 12 -9.048 -5.852 -2.489
64 HB2 PRO 12 1HB PRO 12 -10.602 -3.626 -2.534
65 HB3 PRO 12 2HB PRO 12 -11.266 -5.263 -2.598
66 HG2 PRO 12 1HG PRO 12 -11.023 -3.406 -0.262
67 HG3 PRO 12 2HG PRO 12 -12.383 -4.444 -0.730
68 HD2 PRO 12 1HD PRO 12 -10.633 -5.127 1.221
69 HD3 PRO 12 2HD PRO 12 -11.419 -6.331 0.179
70 H PHE 13 H PHE 13 -8.244 -4.052 0.306
71 HA PHE 13 HA PHE 13 -6.603 -2.213 -1.310
72 HB2 PHE 13 1HB PHE 13 -7.639 -1.733 1.490
73 HB3 PHE 13 2HB PHE 13 -6.759 -0.589 0.483
74 HD1 PHE 13 HD2 PHE 13 -7.853 0.164 -1.690
75 HD2 PHE 13 HD1 PHE 13 -9.960 -1.842 1.417
76 HE1 PHE 13 HE2 PHE 13 -9.981 1.004 -2.596
77 HE2 PHE 13 HE1 PHE 13 -12.092 -1.007 0.515
78 HZ PHE 13 HZ PHE 13 -12.104 0.419 -1.493
79 H LYS 14 H LYS 14 -4.493 -2.550 -1.189
80 HA LYS 14 HA LYS 14 -3.353 -3.604 1.304
81 HB2 LYS 14 1HB LYS 14 -3.454 -5.532 -0.081
82 HB3 LYS 14 2HB LYS 14 -2.894 -4.639 -1.489
83 HG2 LYS 14 1HG LYS 14 -1.099 -4.789 0.870
84 HG3 LYS 14 2HG LYS 14 -1.298 -6.234 -0.125
85 HD2 LYS 14 1HD LYS 14 -0.852 -4.606 -2.105
86 HD3 LYS 14 2HD LYS 14 -0.157 -3.566 -0.859
87 HE2 LYS 14 1HE LYS 14 1.359 -5.369 -0.202
88 HE3 LYS 14 2HE LYS 14 0.658 -6.413 -1.437
89 HZ1 LYS 14 3HZ LYS 14 2.600 -5.546 -2.378
90 HZ2 LYS 14 1HZ LYS 14 2.294 -3.979 -1.819
91 HZ3 LYS 14 2HZ LYS 14 1.357 -4.630 -3.067
92 H CYS 15 H CYS 15 -1.955 -2.158 2.039
93 HA CYS 15 HA CYS 15 -0.948 0.006 0.588
94 HB2 CYS 15 1HB CYS 15 -1.074 -0.050 3.048
95 HB3 CYS 15 2HB CYS 15 0.201 -1.265 3.082
96 H ASN 16 H ASN 16 0.860 0.352 -0.590
97 HA ASN 16 HA ASN 16 2.463 -2.001 -1.260
98 HB2 ASN 16 1HB ASN 16 2.192 0.695 -2.606
99 HB3 ASN 16 2HB ASN 16 3.271 -0.582 -3.160
100 HD21 ASN 16 1HD2 ASN 16 0.302 0.776 -3.559
101 HD22 ASN 16 2HD2 ASN 16 -0.515 -0.541 -4.322
102 H GLU 17 H GLU 17 2.627 0.868 0.561
103 HA GLU 17 HA GLU 17 5.432 1.344 0.370
104 HB2 GLU 17 1HB GLU 17 3.549 2.154 2.591
105 HB3 GLU 17 2HB GLU 17 5.120 2.859 2.237
106 HG2 GLU 17 1HG GLU 17 4.012 3.323 -0.103
107 HG3 GLU 17 2HG GLU 17 2.525 3.205 0.836
108 H CYS 18 H CYS 18 3.376 -0.534 2.522
109 HA CYS 18 HA CYS 18 5.808 -1.661 3.746
110 HB2 CYS 18 1HB CYS 18 4.539 -1.969 5.830
111 HB3 CYS 18 2HB CYS 18 4.625 -0.271 5.375
112 H GLY 19 H GLY 19 2.434 -2.244 2.836
113 HA2 GLY 19 1HA GLY 19 2.065 -4.287 1.488
114 HA3 GLY 19 2HA GLY 19 3.095 -5.119 2.644
115 H LYS 20 H LYS 20 1.004 -2.791 4.000
116 HA LYS 20 HA LYS 20 -0.408 -4.781 5.483
117 HB2 LYS 20 1HB LYS 20 -0.367 -1.809 5.375
118 HB3 LYS 20 2HB LYS 20 -1.798 -2.571 6.057
119 HG2 LYS 20 1HG LYS 20 -0.107 -3.900 7.496
120 HG3 LYS 20 2HG LYS 20 1.020 -2.618 7.046
121 HD2 LYS 20 1HD LYS 20 -0.343 -0.951 8.049
122 HD3 LYS 20 2HD LYS 20 -1.689 -2.076 8.245
123 HE2 LYS 20 1HE LYS 20 -0.263 -3.403 9.797
124 HE3 LYS 20 2HE LYS 20 0.963 -2.142 9.679
125 HZ1 LYS 20 3HZ LYS 20 -0.133 -0.879 11.121
126 HZ2 LYS 20 1HZ LYS 20 -1.097 -2.226 11.466
127 HZ3 LYS 20 2HZ LYS 20 -1.612 -1.088 10.326
128 H THR 21 H THR 21 -2.888 -4.533 5.683
129 HA THR 21 HA THR 21 -4.161 -4.056 3.093
130 HB THR 21 HB THR 21 -5.430 -6.218 3.315
131 HG1 THR 21 HG1 THR 21 -4.233 -7.824 4.618
132 HG21 THR 21 3HG2 THR 21 -2.764 -7.281 3.033
133 HG22 THR 21 1HG2 THR 21 -2.900 -5.717 2.230
134 HG23 THR 21 2HG2 THR 21 -4.002 -7.026 1.804
135 H PHE 22 H PHE 22 -6.229 -3.325 3.232
136 HA PHE 22 HA PHE 22 -7.557 -3.399 5.848
137 HB2 PHE 22 1HB PHE 22 -7.508 -0.907 4.149
138 HB3 PHE 22 2HB PHE 22 -8.079 -1.077 5.805
139 HD1 PHE 22 HD2 PHE 22 -4.999 -1.364 3.740
140 HD2 PHE 22 HD1 PHE 22 -6.678 -0.549 7.566
141 HE1 PHE 22 HE2 PHE 22 -2.780 -0.699 4.568
142 HE2 PHE 22 HE1 PHE 22 -4.461 0.119 8.400
143 HZ PHE 22 HZ PHE 22 -2.509 0.044 6.901
144 H SER 23 H SER 23 -9.709 -3.750 5.772
145 HA SER 23 HA SER 23 -10.903 -4.772 3.470
146 HB2 SER 23 1HB SER 23 -12.215 -3.649 5.956
147 HB3 SER 23 2HB SER 23 -13.036 -4.623 4.737
148 HG SER 23 HG SER 23 -12.287 -5.854 6.543
149 H HIS 24 H HIS 24 -11.119 -1.547 4.911
150 HA HIS 24 HA HIS 24 -12.570 -0.632 2.519
151 HB2 HIS 24 1HB HIS 24 -12.625 0.190 5.378
152 HB3 HIS 24 2HB HIS 24 -12.859 1.451 4.170
153 HD1 HIS 24 HD1 HIS 24 -14.485 -1.579 5.626
154 HD2 HIS 24 HD2 HIS 24 -15.273 1.315 2.752
155 HE1 HIS 24 HE1 HIS 24 -16.920 -1.843 5.057
156 H SER 25 H SER 25 -12.006 1.477 1.658
157 HA SER 25 HA SER 25 -9.194 1.766 1.337
158 HB2 SER 25 1HB SER 25 -9.742 3.638 -0.123
159 HB3 SER 25 2HB SER 25 -10.835 2.294 -0.450
160 HG SER 25 HG SER 25 -11.359 4.686 0.964
161 H ALA 26 H ALA 26 -11.656 3.907 2.774
162 HA ALA 26 HA ALA 26 -10.293 6.032 3.625
163 HB1 ALA 26 3HB ALA 26 -11.760 6.240 5.485
164 HB2 ALA 26 1HB ALA 26 -12.667 5.451 4.195
165 HB3 ALA 26 2HB ALA 26 -12.039 4.500 5.540
166 H HIS 27 H HIS 27 -10.025 2.817 5.060
167 HA HIS 27 HA HIS 27 -8.354 3.565 7.219
168 HB2 HIS 27 1HB HIS 27 -8.611 0.883 5.842
169 HB3 HIS 27 2HB HIS 27 -7.870 1.161 7.415
170 HD1 HIS 27 HD1 HIS 27 -10.778 -0.231 6.212
171 HD2 HIS 27 HD2 HIS 27 -10.076 2.744 9.026
172 HE1 HIS 27 HE1 HIS 27 -12.849 -0.151 7.637
173 H LEU 28 H LEU 28 -7.610 2.086 4.065
174 HA LEU 28 HA LEU 28 -4.836 1.998 4.355
175 HB2 LEU 28 1HB LEU 28 -5.814 0.780 2.589
176 HB3 LEU 28 2HB LEU 28 -6.611 2.213 1.942
177 HG LEU 28 HG LEU 28 -4.398 3.093 1.271
178 HD11 LEU 28 1HD1 LEU 28 -3.505 0.588 2.598
179 HD12 LEU 28 2HD1 LEU 28 -2.766 2.189 2.585
180 HD13 LEU 28 3HD1 LEU 28 -2.628 1.144 1.172
181 HD21 LEU 28 3HD2 LEU 28 -4.312 1.888 -0.696
182 HD22 LEU 28 1HD2 LEU 28 -5.942 1.532 -0.125
183 HD23 LEU 28 2HD2 LEU 28 -4.651 0.353 0.105
184 H SER 29 H SER 29 -6.724 4.408 2.518
185 HA SER 29 HA SER 29 -4.734 6.165 1.874
186 HB2 SER 29 1HB SER 29 -6.908 6.586 1.017
187 HB3 SER 29 2HB SER 29 -7.608 6.689 2.632
188 HG SER 29 HG SER 29 -5.571 8.481 2.014
189 H LYS 30 H LYS 30 -6.460 5.926 4.946
190 HA LYS 30 HA LYS 30 -5.221 8.203 6.127
191 HB2 LYS 30 1HB LYS 30 -7.401 6.862 6.782
192 HB3 LYS 30 2HB LYS 30 -6.278 5.955 7.786
193 HG2 LYS 30 1HG LYS 30 -5.652 7.932 8.982
194 HG3 LYS 30 2HG LYS 30 -6.590 8.947 7.884
195 HD2 LYS 30 1HD LYS 30 -8.549 7.345 8.664
196 HD3 LYS 30 2HD LYS 30 -7.505 7.152 10.075
197 HE2 LYS 30 1HE LYS 30 -8.833 8.944 10.686
198 HE3 LYS 30 2HE LYS 30 -7.403 9.744 10.036
199 HZ1 LYS 30 3HZ LYS 30 -10.082 9.485 8.841
200 HZ2 LYS 30 1HZ LYS 30 -8.733 9.717 7.846
201 HZ3 LYS 30 2HZ LYS 30 -9.123 10.867 9.023
202 H HIS 31 H HIS 31 -4.560 4.734 6.165
203 HA HIS 31 HA HIS 31 -2.442 4.883 8.062
204 HB2 HIS 31 1HB HIS 31 -3.298 2.744 7.941
205 HB3 HIS 31 2HB HIS 31 -3.489 2.805 6.191
206 HD1 HIS 31 HD1 HIS 31 -0.973 2.065 8.861
207 HD2 HIS 31 HD2 HIS 31 -1.263 1.986 4.717
208 HE1 HIS 31 HE1 HIS 31 1.059 0.813 8.069
209 H GLN 32 H GLN 32 -2.678 5.759 4.807
210 HA GLN 32 HA GLN 32 0.056 5.231 4.083
211 HB2 GLN 32 1HB GLN 32 -2.175 6.773 2.769
212 HB3 GLN 32 2HB GLN 32 -0.550 6.718 2.098
213 HG2 GLN 32 1HG GLN 32 -0.924 4.114 2.361
214 HG3 GLN 32 2HG GLN 32 -2.616 4.598 2.256
215 HE21 GLN 32 1HE2 GLN 32 -0.025 3.615 0.508
216 HE22 GLN 32 2HE2 GLN 32 -0.464 4.234 -1.043
217 H LEU 33 H LEU 33 -1.786 7.936 5.333
218 HA LEU 33 HA LEU 33 0.022 10.007 4.855
219 HB2 LEU 33 1HB LEU 33 -1.817 9.657 7.218
220 HB3 LEU 33 2HB LEU 33 -1.070 11.169 6.706
221 HG LEU 33 HG LEU 33 -2.986 9.628 4.969
222 HD11 LEU 33 1HD1 LEU 33 -3.553 11.066 7.373
223 HD12 LEU 33 2HD1 LEU 33 -4.665 10.253 6.272
224 HD13 LEU 33 3HD1 LEU 33 -4.222 11.937 5.993
225 HD21 LEU 33 3HD2 LEU 33 -2.819 11.330 3.511
226 HD22 LEU 33 1HD2 LEU 33 -1.281 11.629 4.320
227 HD23 LEU 33 2HD2 LEU 33 -2.713 12.548 4.783
228 H ILE 34 H ILE 34 0.277 7.322 6.935
229 HA ILE 34 HA ILE 34 2.067 8.519 8.840
230 HB ILE 34 HB ILE 34 2.111 6.496 9.927
231 HG12 ILE 34 1HG1 ILE 34 1.721 5.182 7.233
232 HG13 ILE 34 2HG1 ILE 34 3.178 5.173 8.219
233 HG21 ILE 34 1HG2 ILE 34 -0.306 7.353 9.153
234 HG22 ILE 34 2HG2 ILE 34 -0.343 5.725 8.476
235 HG23 ILE 34 3HG2 ILE 34 -0.069 5.956 10.203
236 HD11 ILE 34 3HD1 ILE 34 1.368 4.080 9.921
237 HD12 ILE 34 1HD1 ILE 34 0.795 3.490 8.362
238 HD13 ILE 34 2HD1 ILE 34 2.452 3.168 8.872
239 H HIS 35 H HIS 35 2.356 6.802 5.817
240 HA HIS 35 HA HIS 35 5.148 6.234 6.062
241 HB2 HIS 35 1HB HIS 35 3.188 6.162 3.781
242 HB3 HIS 35 2HB HIS 35 4.908 5.901 3.509
243 HD1 HIS 35 HD1 HIS 35 5.829 3.985 5.466
244 HD2 HIS 35 HD2 HIS 35 1.947 3.785 3.999
245 HE1 HIS 35 HE1 HIS 35 5.075 1.622 5.880
246 H ALA 36 H ALA 36 3.236 8.868 4.772
247 HA ALA 36 HA ALA 36 5.581 10.172 3.640
248 HB1 ALA 36 3HB ALA 36 2.989 10.137 2.847
249 HB2 ALA 36 1HB ALA 36 3.054 11.666 3.724
250 HB3 ALA 36 2HB ALA 36 4.159 11.372 2.380
251 H GLY 37 H GLY 37 6.355 10.088 6.045
252 HA2 GLY 37 1HA GLY 37 5.353 12.424 7.524
253 HA3 GLY 37 2HA GLY 37 6.329 11.127 8.199
254 H GLU 38 H GLU 38 6.368 14.276 7.148
255 HA GLU 38 HA GLU 38 9.202 14.481 7.484
256 HB2 GLU 38 1HB GLU 38 9.758 15.337 5.283
257 HB3 GLU 38 2HB GLU 38 9.092 13.717 5.139
258 HG2 GLU 38 1HG GLU 38 6.860 14.873 4.676
259 HG3 GLU 38 2HG GLU 38 7.818 16.333 4.433
260 H ASN 39 H ASN 39 9.919 16.642 7.690
261 HA ASN 39 HA ASN 39 7.772 18.657 7.754
262 HB2 ASN 39 1HB ASN 39 9.021 19.629 9.755
263 HB3 ASN 39 2HB ASN 39 8.133 18.134 10.036
264 HD21 ASN 39 1HD2 ASN 39 9.790 18.421 11.897
265 HD22 ASN 39 2HD2 ASN 39 11.269 17.551 11.691
266 HA PRO 40 HA PRO 40 10.462 21.108 5.277
267 HB2 PRO 40 1HB PRO 40 9.426 23.559 5.817
268 HB3 PRO 40 2HB PRO 40 8.609 22.376 4.788
269 HG2 PRO 40 1HG PRO 40 8.133 23.028 7.671
270 HG3 PRO 40 2HG PRO 40 6.953 22.743 6.379
271 HD2 PRO 40 1HD PRO 40 7.604 20.850 8.203
272 HD3 PRO 40 2HD PRO 40 7.151 20.451 6.533
273 H SER 41 H SER 41 12.469 20.895 6.273
274 HA SER 41 HA SER 41 13.289 23.184 7.864
275 HB2 SER 41 1HB SER 41 14.423 21.742 9.552
276 HB3 SER 41 2HB SER 41 12.666 21.609 9.602
277 HG SER 41 HG SER 41 13.993 19.591 9.625
278 H GLY 42 H GLY 42 15.042 23.953 6.902
279 HA2 GLY 42 1HA GLY 42 17.386 23.678 6.389
280 HA3 GLY 42 2HA GLY 42 17.030 22.038 5.868
281 HA PRO 43 HA PRO 43 17.225 24.964 2.196
282 HB2 PRO 43 1HB PRO 43 19.264 23.704 0.923
283 HB3 PRO 43 2HB PRO 43 19.520 24.993 2.105
284 HG2 PRO 43 1HG PRO 43 19.704 22.028 2.468
285 HG3 PRO 43 2HG PRO 43 20.781 23.298 3.075
286 HD2 PRO 43 1HD PRO 43 18.900 22.119 4.625
287 HD3 PRO 43 2HD PRO 43 19.387 23.813 4.837
288 H SER 44 H SER 44 16.399 21.859 2.944
289 HA SER 44 HA SER 44 16.285 20.439 0.583
290 HB2 SER 44 1HB SER 44 14.562 20.488 3.032
291 HB3 SER 44 2HB SER 44 14.055 19.525 1.645
292 HG SER 44 HG SER 44 16.174 18.535 1.751
293 H SER 45 H SER 45 14.359 19.964 -0.772
294 HA SER 45 HA SER 45 12.365 22.033 -1.032
295 HB2 SER 45 1HB SER 45 12.951 22.715 -3.287
296 HB3 SER 45 2HB SER 45 14.331 22.996 -2.225
297 HG SER 45 HG SER 45 14.897 21.973 -4.220
298 H GLY 46 H GLY 46 11.023 21.575 -3.118
299 HA2 GLY 46 1HA GLY 46 10.510 19.716 -4.711
300 HA3 GLY 46 2HA GLY 46 10.732 18.642 -3.338
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 16.838 -11.591 3.286
2 HA2 GLY 1 1HA GLY 1 16.740 -8.787 3.368
3 HA3 GLY 1 2HA GLY 1 17.100 -9.272 1.718
4 H SER 2 H SER 2 14.757 -7.893 2.598
5 HA SER 2 HA SER 2 12.770 -9.673 1.477
6 HB2 SER 2 1HB SER 2 12.634 -8.691 4.320
7 HB3 SER 2 2HB SER 2 11.170 -9.072 3.415
8 HG SER 2 HG SER 2 11.755 -10.925 4.452
9 H SER 3 H SER 3 11.032 -8.597 0.560
10 HA SER 3 HA SER 3 10.737 -5.737 0.942
11 HB2 SER 3 1HB SER 3 11.886 -6.951 -1.537
12 HB3 SER 3 2HB SER 3 10.809 -5.564 -1.700
13 HG SER 3 HG SER 3 12.217 -4.321 -0.602
14 H GLY 4 H GLY 4 8.620 -5.640 1.327
15 HA2 GLY 4 1HA GLY 4 6.354 -5.816 1.007
16 HA3 GLY 4 2HA GLY 4 6.711 -6.155 -0.680
17 H SER 5 H SER 5 4.985 -7.321 1.702
18 HA SER 5 HA SER 5 5.661 -10.140 1.178
19 HB2 SER 5 1HB SER 5 4.449 -10.652 3.276
20 HB3 SER 5 2HB SER 5 5.806 -9.558 3.546
21 HG SER 5 HG SER 5 4.143 -7.841 3.332
22 H SER 6 H SER 6 4.497 -10.219 -0.781
23 HA SER 6 HA SER 6 1.573 -9.989 -0.503
24 HB2 SER 6 1HB SER 6 1.577 -9.841 -3.017
25 HB3 SER 6 2HB SER 6 2.370 -8.491 -2.206
26 HG SER 6 HG SER 6 3.962 -10.666 -2.894
27 H GLY 7 H GLY 7 0.813 -11.951 0.021
28 HA2 GLY 7 1HA GLY 7 1.424 -14.160 -1.814
29 HA3 GLY 7 2HA GLY 7 1.640 -14.419 -0.090
30 H THR 8 H THR 8 -0.601 -12.942 0.814
31 HA THR 8 HA THR 8 -2.789 -14.646 -0.188
32 HB THR 8 HB THR 8 -3.803 -14.484 2.050
33 HG1 THR 8 HG1 THR 8 -2.167 -13.699 3.710
34 HG21 THR 8 3HG2 THR 8 -1.194 -15.734 1.522
35 HG22 THR 8 1HG2 THR 8 -2.691 -16.446 2.123
36 HG23 THR 8 2HG2 THR 8 -1.617 -15.588 3.228
37 H LYS 9 H LYS 9 -4.655 -13.709 -0.811
38 HA LYS 9 HA LYS 9 -4.813 -10.778 -0.605
39 HB2 LYS 9 1HB LYS 9 -4.741 -11.981 -2.888
40 HB3 LYS 9 2HB LYS 9 -6.397 -12.457 -2.534
41 HG2 LYS 9 1HG LYS 9 -6.855 -9.973 -2.181
42 HG3 LYS 9 2HG LYS 9 -5.295 -9.702 -2.961
43 HD2 LYS 9 1HD LYS 9 -6.061 -10.903 -4.939
44 HD3 LYS 9 2HD LYS 9 -7.609 -11.230 -4.157
45 HE2 LYS 9 1HE LYS 9 -6.615 -8.424 -4.506
46 HE3 LYS 9 2HE LYS 9 -7.443 -9.261 -5.818
47 HZ1 LYS 9 3HZ LYS 9 -9.131 -8.148 -4.711
48 HZ2 LYS 9 1HZ LYS 9 -8.499 -8.476 -3.177
49 HZ3 LYS 9 2HZ LYS 9 -9.235 -9.709 -4.069
50 H GLU 10 H GLU 10 -5.891 -10.487 1.302
51 HA GLU 10 HA GLU 10 -8.446 -11.885 1.665
52 HB2 GLU 10 1HB GLU 10 -6.517 -10.563 3.525
53 HB3 GLU 10 2HB GLU 10 -8.210 -10.657 3.989
54 HG2 GLU 10 1HG GLU 10 -6.916 -12.503 4.909
55 HG3 GLU 10 2HG GLU 10 -8.159 -13.071 3.795
56 H HIS 11 H HIS 11 -7.055 -8.617 1.938
57 HA HIS 11 HA HIS 11 -9.754 -7.510 1.571
58 HB2 HIS 11 1HB HIS 11 -7.261 -6.138 2.598
59 HB3 HIS 11 2HB HIS 11 -8.873 -5.433 2.515
60 HD1 HIS 11 HD1 HIS 11 -8.208 -5.153 5.189
61 HD2 HIS 11 HD2 HIS 11 -9.227 -8.943 3.825
62 HE1 HIS 11 HE1 HIS 11 -8.815 -6.467 7.245
63 HA PRO 12 HA PRO 12 -8.747 -6.117 -2.476
64 HB2 PRO 12 1HB PRO 12 -10.444 -4.006 -2.666
65 HB3 PRO 12 2HB PRO 12 -10.990 -5.686 -2.729
66 HG2 PRO 12 1HG PRO 12 -11.015 -3.772 -0.428
67 HG3 PRO 12 2HG PRO 12 -12.270 -4.910 -0.950
68 HD2 PRO 12 1HD PRO 12 -10.599 -5.431 1.115
69 HD3 PRO 12 2HD PRO 12 -11.237 -6.707 0.059
70 H PHE 13 H PHE 13 -8.123 -4.304 0.317
71 HA PHE 13 HA PHE 13 -6.596 -2.324 -1.243
72 HB2 PHE 13 1HB PHE 13 -7.775 -1.977 1.522
73 HB3 PHE 13 2HB PHE 13 -6.870 -0.763 0.623
74 HD1 PHE 13 HD2 PHE 13 -7.842 0.067 -1.569
75 HD2 PHE 13 HD1 PHE 13 -10.080 -2.182 1.268
76 HE1 PHE 13 HE2 PHE 13 -9.933 0.873 -2.585
77 HE2 PHE 13 HE1 PHE 13 -12.175 -1.380 0.256
78 HZ PHE 13 HZ PHE 13 -12.103 0.151 -1.672
79 H LYS 14 H LYS 14 -4.462 -2.371 -1.009
80 HA LYS 14 HA LYS 14 -3.310 -3.457 1.460
81 HB2 LYS 14 1HB LYS 14 -3.246 -5.315 -0.062
82 HB3 LYS 14 2HB LYS 14 -2.604 -4.305 -1.351
83 HG2 LYS 14 1HG LYS 14 -0.667 -3.932 0.421
84 HG3 LYS 14 2HG LYS 14 -1.234 -5.505 0.985
85 HD2 LYS 14 1HD LYS 14 -0.867 -6.477 -1.181
86 HD3 LYS 14 2HD LYS 14 -0.490 -4.898 -1.874
87 HE2 LYS 14 1HE LYS 14 1.115 -5.900 0.432
88 HE3 LYS 14 2HE LYS 14 1.422 -6.556 -1.176
89 HZ1 LYS 14 3HZ LYS 14 1.836 -4.334 -1.986
90 HZ2 LYS 14 1HZ LYS 14 2.845 -4.656 -0.666
91 HZ3 LYS 14 2HZ LYS 14 1.483 -3.672 -0.470
92 H CYS 15 H CYS 15 -1.812 -2.150 2.272
93 HA CYS 15 HA CYS 15 -1.084 0.276 1.083
94 HB2 CYS 15 1HB CYS 15 -1.004 -0.241 3.533
95 HB3 CYS 15 2HB CYS 15 0.443 -1.199 3.237
96 H ASN 16 H ASN 16 0.137 0.572 -0.651
97 HA ASN 16 HA ASN 16 2.019 -1.426 -1.530
98 HB2 ASN 16 1HB ASN 16 0.487 0.188 -2.945
99 HB3 ASN 16 2HB ASN 16 1.850 1.291 -2.774
100 HD21 ASN 16 1HD2 ASN 16 0.731 -0.092 -5.126
101 HD22 ASN 16 2HD2 ASN 16 2.055 -0.956 -5.823
102 H GLU 17 H GLU 17 2.335 0.442 0.948
103 HA GLU 17 HA GLU 17 5.029 1.432 0.300
104 HB2 GLU 17 1HB GLU 17 3.291 2.187 2.654
105 HB3 GLU 17 2HB GLU 17 4.815 2.931 2.190
106 HG2 GLU 17 1HG GLU 17 3.572 3.426 -0.044
107 HG3 GLU 17 2HG GLU 17 2.125 3.182 0.933
108 H CYS 18 H CYS 18 3.182 -0.628 2.433
109 HA CYS 18 HA CYS 18 5.710 -1.667 3.526
110 HB2 CYS 18 1HB CYS 18 4.609 -2.027 5.688
111 HB3 CYS 18 2HB CYS 18 4.593 -0.323 5.248
112 H GLY 19 H GLY 19 2.364 -2.285 2.626
113 HA2 GLY 19 1HA GLY 19 1.957 -4.326 1.332
114 HA3 GLY 19 2HA GLY 19 3.044 -5.154 2.437
115 H LYS 20 H LYS 20 1.020 -2.900 3.964
116 HA LYS 20 HA LYS 20 -0.308 -4.920 5.462
117 HB2 LYS 20 1HB LYS 20 -0.337 -1.949 5.366
118 HB3 LYS 20 2HB LYS 20 -1.733 -2.740 6.088
119 HG2 LYS 20 1HG LYS 20 0.179 -4.064 7.376
120 HG3 LYS 20 2HG LYS 20 1.062 -2.573 7.043
121 HD2 LYS 20 1HD LYS 20 0.099 -1.985 9.023
122 HD3 LYS 20 2HD LYS 20 -1.197 -1.492 7.931
123 HE2 LYS 20 1HE LYS 20 -2.242 -3.728 8.279
124 HE3 LYS 20 2HE LYS 20 -1.009 -4.063 9.494
125 HZ1 LYS 20 3HZ LYS 20 -1.882 -1.789 10.440
126 HZ2 LYS 20 1HZ LYS 20 -2.652 -3.249 10.811
127 HZ3 LYS 20 2HZ LYS 20 -3.290 -2.237 9.615
128 H THR 21 H THR 21 -2.869 -4.298 5.783
129 HA THR 21 HA THR 21 -4.196 -4.043 3.214
130 HB THR 21 HB THR 21 -5.428 -6.144 3.396
131 HG1 THR 21 HG1 THR 21 -4.530 -7.700 4.985
132 HG21 THR 21 3HG2 THR 21 -3.376 -6.149 2.081
133 HG22 THR 21 1HG2 THR 21 -3.595 -7.703 2.884
134 HG23 THR 21 2HG2 THR 21 -2.436 -6.537 3.521
135 H PHE 22 H PHE 22 -6.350 -3.454 3.374
136 HA PHE 22 HA PHE 22 -7.558 -3.323 6.030
137 HB2 PHE 22 1HB PHE 22 -7.469 -0.894 4.239
138 HB3 PHE 22 2HB PHE 22 -8.064 -0.988 5.893
139 HD1 PHE 22 HD2 PHE 22 -4.958 -1.484 3.902
140 HD2 PHE 22 HD1 PHE 22 -6.682 -0.368 7.630
141 HE1 PHE 22 HE2 PHE 22 -2.734 -0.840 4.734
142 HE2 PHE 22 HE1 PHE 22 -4.460 0.279 8.467
143 HZ PHE 22 HZ PHE 22 -2.483 0.042 7.019
144 H SER 23 H SER 23 -9.735 -3.577 6.028
145 HA SER 23 HA SER 23 -11.028 -4.739 3.879
146 HB2 SER 23 1HB SER 23 -13.104 -4.407 5.115
147 HB3 SER 23 2HB SER 23 -11.814 -4.856 6.230
148 HG SER 23 HG SER 23 -12.620 -3.142 7.222
149 H HIS 24 H HIS 24 -11.332 -1.375 5.013
150 HA HIS 24 HA HIS 24 -12.571 -0.680 2.443
151 HB2 HIS 24 1HB HIS 24 -12.655 0.542 5.177
152 HB3 HIS 24 2HB HIS 24 -12.972 1.550 3.768
153 HD1 HIS 24 HD1 HIS 24 -15.159 0.981 5.875
154 HD2 HIS 24 HD2 HIS 24 -14.653 -1.185 2.366
155 HE1 HIS 24 HE1 HIS 24 -17.398 -0.062 5.400
156 H SER 25 H SER 25 -11.967 1.458 1.522
157 HA SER 25 HA SER 25 -9.142 1.595 1.180
158 HB2 SER 25 1HB SER 25 -10.752 2.122 -0.632
159 HB3 SER 25 2HB SER 25 -11.262 3.554 0.263
160 HG SER 25 HG SER 25 -9.726 4.212 -1.187
161 H ALA 26 H ALA 26 -11.502 3.910 2.516
162 HA ALA 26 HA ALA 26 -10.019 5.994 3.283
163 HB1 ALA 26 3HB ALA 26 -12.464 4.937 4.092
164 HB2 ALA 26 1HB ALA 26 -11.554 5.176 5.585
165 HB3 ALA 26 2HB ALA 26 -11.812 6.529 4.483
166 H HIS 27 H HIS 27 -10.027 2.860 4.924
167 HA HIS 27 HA HIS 27 -8.362 3.577 7.076
168 HB2 HIS 27 1HB HIS 27 -8.751 0.886 5.751
169 HB3 HIS 27 2HB HIS 27 -7.958 1.139 7.303
170 HD1 HIS 27 HD1 HIS 27 -11.045 0.058 6.065
171 HD2 HIS 27 HD2 HIS 27 -9.955 2.720 9.062
172 HE1 HIS 27 HE1 HIS 27 -13.055 0.241 7.565
173 H LEU 28 H LEU 28 -7.610 2.131 3.920
174 HA LEU 28 HA LEU 28 -4.837 1.885 4.328
175 HB2 LEU 28 1HB LEU 28 -5.796 0.661 2.559
176 HB3 LEU 28 2HB LEU 28 -6.537 2.100 1.861
177 HG LEU 28 HG LEU 28 -4.345 2.899 1.152
178 HD11 LEU 28 1HD1 LEU 28 -3.309 1.391 3.132
179 HD12 LEU 28 2HD1 LEU 28 -2.374 2.008 1.770
180 HD13 LEU 28 3HD1 LEU 28 -2.988 0.355 1.741
181 HD21 LEU 28 3HD2 LEU 28 -4.113 1.488 -0.676
182 HD22 LEU 28 1HD2 LEU 28 -5.777 1.199 -0.165
183 HD23 LEU 28 2HD2 LEU 28 -4.511 0.046 0.259
184 H SER 29 H SER 29 -6.567 4.313 2.363
185 HA SER 29 HA SER 29 -4.489 5.980 1.757
186 HB2 SER 29 1HB SER 29 -6.085 7.701 1.368
187 HB3 SER 29 2HB SER 29 -6.928 6.186 1.047
188 HG SER 29 HG SER 29 -7.580 8.088 2.774
189 H LYS 30 H LYS 30 -6.377 5.924 4.747
190 HA LYS 30 HA LYS 30 -5.133 8.181 5.929
191 HB2 LYS 30 1HB LYS 30 -7.335 6.855 6.548
192 HB3 LYS 30 2HB LYS 30 -6.242 5.970 7.604
193 HG2 LYS 30 1HG LYS 30 -5.878 7.765 8.968
194 HG3 LYS 30 2HG LYS 30 -6.193 8.941 7.690
195 HD2 LYS 30 1HD LYS 30 -8.605 8.223 7.777
196 HD3 LYS 30 2HD LYS 30 -8.201 7.300 9.227
197 HE2 LYS 30 1HE LYS 30 -8.904 9.258 10.179
198 HE3 LYS 30 2HE LYS 30 -7.184 9.603 9.999
199 HZ1 LYS 30 3HZ LYS 30 -9.347 10.468 8.157
200 HZ2 LYS 30 1HZ LYS 30 -7.696 10.751 7.915
201 HZ3 LYS 30 2HZ LYS 30 -8.491 11.457 9.230
202 H HIS 31 H HIS 31 -4.547 4.694 6.179
203 HA HIS 31 HA HIS 31 -2.462 4.890 8.088
204 HB2 HIS 31 1HB HIS 31 -3.326 2.753 8.005
205 HB3 HIS 31 2HB HIS 31 -3.474 2.766 6.250
206 HD1 HIS 31 HD1 HIS 31 -1.041 2.065 9.002
207 HD2 HIS 31 HD2 HIS 31 -1.208 1.909 4.853
208 HE1 HIS 31 HE1 HIS 31 1.003 0.781 8.294
209 H GLN 32 H GLN 32 -2.593 5.669 4.802
210 HA GLN 32 HA GLN 32 0.154 5.099 4.172
211 HB2 GLN 32 1HB GLN 32 -2.074 6.542 2.767
212 HB3 GLN 32 2HB GLN 32 -0.426 6.632 2.161
213 HG2 GLN 32 1HG GLN 32 -0.591 4.002 2.383
214 HG3 GLN 32 2HG GLN 32 -2.311 4.346 2.212
215 HE21 GLN 32 1HE2 GLN 32 -2.023 3.073 0.236
216 HE22 GLN 32 2HE2 GLN 32 -1.500 3.880 -1.199
217 H LEU 33 H LEU 33 -1.677 7.827 5.361
218 HA LEU 33 HA LEU 33 0.159 9.878 4.864
219 HB2 LEU 33 1HB LEU 33 -1.799 9.557 7.133
220 HB3 LEU 33 2HB LEU 33 -0.950 11.051 6.743
221 HG LEU 33 HG LEU 33 -2.837 9.669 4.843
222 HD11 LEU 33 1HD1 LEU 33 -3.381 11.327 7.179
223 HD12 LEU 33 2HD1 LEU 33 -4.466 10.318 6.224
224 HD13 LEU 33 3HD1 LEU 33 -4.087 11.956 5.690
225 HD21 LEU 33 3HD2 LEU 33 -1.406 12.304 4.883
226 HD22 LEU 33 1HD2 LEU 33 -2.881 12.075 3.944
227 HD23 LEU 33 2HD2 LEU 33 -1.459 11.086 3.607
228 H ILE 34 H ILE 34 0.257 7.274 7.096
229 HA ILE 34 HA ILE 34 2.014 8.467 9.005
230 HB ILE 34 HB ILE 34 2.047 6.441 10.093
231 HG12 ILE 34 1HG1 ILE 34 1.725 5.129 7.389
232 HG13 ILE 34 2HG1 ILE 34 3.157 5.120 8.412
233 HG21 ILE 34 1HG2 ILE 34 -0.307 7.287 9.577
234 HG22 ILE 34 2HG2 ILE 34 -0.404 5.950 8.432
235 HG23 ILE 34 3HG2 ILE 34 -0.150 5.626 10.147
236 HD11 ILE 34 3HD1 ILE 34 2.461 3.190 9.230
237 HD12 ILE 34 1HD1 ILE 34 1.120 4.050 9.986
238 HD13 ILE 34 2HD1 ILE 34 0.918 3.330 8.388
239 H HIS 35 H HIS 35 2.426 6.766 5.991
240 HA HIS 35 HA HIS 35 5.227 6.249 6.352
241 HB2 HIS 35 1HB HIS 35 3.356 6.065 3.999
242 HB3 HIS 35 2HB HIS 35 5.089 5.803 3.822
243 HD1 HIS 35 HD1 HIS 35 6.003 3.894 5.673
244 HD2 HIS 35 HD2 HIS 35 2.029 3.768 4.471
245 HE1 HIS 35 HE1 HIS 35 5.216 1.564 6.198
246 H ALA 36 H ALA 36 3.281 8.774 4.895
247 HA ALA 36 HA ALA 36 5.603 10.104 3.766
248 HB1 ALA 36 3HB ALA 36 3.307 11.770 3.676
249 HB2 ALA 36 1HB ALA 36 4.104 10.919 2.352
250 HB3 ALA 36 2HB ALA 36 2.812 10.130 3.259
251 H GLY 37 H GLY 37 6.832 10.674 5.570
252 HA2 GLY 37 1HA GLY 37 5.738 12.068 7.807
253 HA3 GLY 37 2HA GLY 37 7.445 11.887 7.430
254 H GLU 38 H GLU 38 4.695 13.942 7.292
255 HA GLU 38 HA GLU 38 5.991 15.893 5.572
256 HB2 GLU 38 1HB GLU 38 3.312 15.808 6.952
257 HB3 GLU 38 2HB GLU 38 3.888 17.235 6.102
258 HG2 GLU 38 1HG GLU 38 3.726 16.243 4.037
259 HG3 GLU 38 2HG GLU 38 3.860 14.612 4.692
260 H ASN 39 H ASN 39 7.636 16.936 6.527
261 HA ASN 39 HA ASN 39 7.041 18.529 8.890
262 HB2 ASN 39 1HB ASN 39 9.616 16.987 8.872
263 HB3 ASN 39 2HB ASN 39 8.780 17.734 10.230
264 HD21 ASN 39 1HD2 ASN 39 6.717 16.753 10.866
265 HD22 ASN 39 2HD2 ASN 39 6.545 15.040 10.728
266 HA PRO 40 HA PRO 40 9.324 21.542 6.637
267 HB2 PRO 40 1HB PRO 40 9.945 23.228 8.673
268 HB3 PRO 40 2HB PRO 40 8.318 23.101 7.994
269 HG2 PRO 40 1HG PRO 40 9.438 21.856 10.475
270 HG3 PRO 40 2HG PRO 40 7.864 22.633 10.226
271 HD2 PRO 40 1HD PRO 40 8.176 19.943 10.232
272 HD3 PRO 40 2HD PRO 40 6.956 20.760 9.235
273 H SER 41 H SER 41 10.691 19.546 9.022
274 HA SER 41 HA SER 41 13.310 20.670 9.104
275 HB2 SER 41 1HB SER 41 12.583 19.258 10.923
276 HB3 SER 41 2HB SER 41 12.284 17.915 9.820
277 HG SER 41 HG SER 41 14.824 19.104 10.262
278 H GLY 42 H GLY 42 14.822 20.600 7.585
279 HA2 GLY 42 1HA GLY 42 15.841 20.091 5.579
280 HA3 GLY 42 2HA GLY 42 15.773 18.451 6.206
281 HA PRO 43 HA PRO 43 11.965 19.185 3.262
282 HB2 PRO 43 1HB PRO 43 12.337 21.161 1.438
283 HB3 PRO 43 2HB PRO 43 11.565 21.433 3.005
284 HG2 PRO 43 1HG PRO 43 14.387 21.972 2.164
285 HG3 PRO 43 2HG PRO 43 13.296 22.981 3.132
286 HD2 PRO 43 1HD PRO 43 15.235 21.452 4.243
287 HD3 PRO 43 2HD PRO 43 13.694 21.783 5.060
288 H SER 44 H SER 44 15.261 18.963 2.720
289 HA SER 44 HA SER 44 16.483 17.684 1.278
290 HB2 SER 44 1HB SER 44 14.305 16.261 1.330
291 HB3 SER 44 2HB SER 44 14.005 16.959 -0.262
292 HG SER 44 HG SER 44 16.026 15.203 0.569
293 H SER 45 H SER 45 16.175 20.411 0.835
294 HA SER 45 HA SER 45 15.425 21.135 -1.765
295 HB2 SER 45 1HB SER 45 15.895 22.706 0.152
296 HB3 SER 45 2HB SER 45 17.614 22.439 -0.135
297 HG SER 45 HG SER 45 17.257 24.132 -1.391
298 H GLY 46 H GLY 46 16.272 20.617 -3.664
299 HA2 GLY 46 1HA GLY 46 18.938 20.790 -4.393
300 HA3 GLY 46 2HA GLY 46 18.683 19.125 -3.893
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 8.447 -24.948 -4.582
2 HA2 GLY 1 1HA GLY 1 10.555 -24.602 -6.627
3 HA3 GLY 1 2HA GLY 1 9.469 -25.983 -6.586
4 H SER 2 H SER 2 7.737 -25.905 -7.853
5 HA SER 2 HA SER 2 7.250 -23.882 -9.673
6 HB2 SER 2 1HB SER 2 5.358 -25.968 -8.570
7 HB3 SER 2 2HB SER 2 4.988 -24.944 -9.957
8 HG SER 2 HG SER 2 7.240 -25.873 -10.616
9 H SER 3 H SER 3 5.758 -22.205 -9.819
10 HA SER 3 HA SER 3 5.173 -20.888 -7.339
11 HB2 SER 3 1HB SER 3 5.849 -19.760 -9.528
12 HB3 SER 3 2HB SER 3 4.196 -20.050 -10.070
13 HG SER 3 HG SER 3 3.949 -18.151 -9.137
14 H GLY 4 H GLY 4 3.164 -22.124 -10.016
15 HA2 GLY 4 1HA GLY 4 1.037 -23.003 -9.996
16 HA3 GLY 4 2HA GLY 4 1.163 -23.110 -8.246
17 H SER 5 H SER 5 -1.190 -22.399 -9.618
18 HA SER 5 HA SER 5 -1.439 -19.509 -9.272
19 HB2 SER 5 1HB SER 5 -2.380 -20.618 -11.306
20 HB3 SER 5 2HB SER 5 -3.510 -21.481 -10.263
21 HG SER 5 HG SER 5 -4.119 -19.334 -11.312
22 H SER 6 H SER 6 -1.268 -19.466 -6.985
23 HA SER 6 HA SER 6 -3.742 -20.307 -5.631
24 HB2 SER 6 1HB SER 6 -1.999 -21.859 -4.951
25 HB3 SER 6 2HB SER 6 -0.924 -20.521 -4.545
26 HG SER 6 HG SER 6 -3.422 -20.559 -3.319
27 H GLY 7 H GLY 7 -4.660 -18.282 -5.643
28 HA2 GLY 7 1HA GLY 7 -3.129 -16.124 -4.342
29 HA3 GLY 7 2HA GLY 7 -4.475 -15.877 -5.444
30 H THR 8 H THR 8 -4.017 -14.909 -2.684
31 HA THR 8 HA THR 8 -6.296 -16.182 -1.324
32 HB THR 8 HB THR 8 -4.310 -16.255 0.038
33 HG1 THR 8 HG1 THR 8 -5.088 -14.777 1.788
34 HG21 THR 8 3HG2 THR 8 -3.620 -13.723 0.769
35 HG22 THR 8 1HG2 THR 8 -3.976 -13.508 -0.944
36 HG23 THR 8 2HG2 THR 8 -2.765 -14.685 -0.436
37 H LYS 9 H LYS 9 -7.860 -14.849 -0.285
38 HA LYS 9 HA LYS 9 -8.140 -12.212 -1.559
39 HB2 LYS 9 1HB LYS 9 -10.589 -12.505 -0.899
40 HB3 LYS 9 2HB LYS 9 -9.983 -13.536 -2.189
41 HG2 LYS 9 1HG LYS 9 -9.882 -14.576 0.589
42 HG3 LYS 9 2HG LYS 9 -11.451 -14.486 -0.214
43 HD2 LYS 9 1HD LYS 9 -10.704 -15.888 -1.994
44 HD3 LYS 9 2HD LYS 9 -9.032 -15.807 -1.433
45 HE2 LYS 9 1HE LYS 9 -9.879 -16.881 0.718
46 HE3 LYS 9 2HE LYS 9 -11.364 -17.222 -0.169
47 HZ1 LYS 9 3HZ LYS 9 -10.008 -19.125 -0.351
48 HZ2 LYS 9 1HZ LYS 9 -8.636 -18.220 -0.753
49 HZ3 LYS 9 2HZ LYS 9 -9.913 -18.352 -1.853
50 H GLU 10 H GLU 10 -6.641 -11.450 0.161
51 HA GLU 10 HA GLU 10 -7.496 -11.421 2.880
52 HB2 GLU 10 1HB GLU 10 -5.477 -9.662 1.476
53 HB3 GLU 10 2HB GLU 10 -5.670 -9.811 3.217
54 HG2 GLU 10 1HG GLU 10 -5.247 -12.339 2.772
55 HG3 GLU 10 2HG GLU 10 -4.541 -11.759 1.264
56 H HIS 11 H HIS 11 -7.140 -8.728 0.564
57 HA HIS 11 HA HIS 11 -9.708 -7.651 1.172
58 HB2 HIS 11 1HB HIS 11 -7.278 -6.476 2.485
59 HB3 HIS 11 2HB HIS 11 -8.640 -5.445 2.057
60 HD1 HIS 11 HD1 HIS 11 -10.997 -7.157 2.878
61 HD2 HIS 11 HD2 HIS 11 -7.544 -6.800 5.160
62 HE1 HIS 11 HE1 HIS 11 -11.680 -7.742 5.227
63 HA PRO 12 HA PRO 12 -9.056 -5.719 -2.714
64 HB2 PRO 12 1HB PRO 12 -10.693 -3.563 -2.510
65 HB3 PRO 12 2HB PRO 12 -11.297 -5.213 -2.703
66 HG2 PRO 12 1HG PRO 12 -11.047 -3.565 -0.216
67 HG3 PRO 12 2HG PRO 12 -12.381 -4.611 -0.736
68 HD2 PRO 12 1HD PRO 12 -10.543 -5.394 1.092
69 HD3 PRO 12 2HD PRO 12 -11.318 -6.531 -0.031
70 H PHE 13 H PHE 13 -8.221 -4.152 0.207
71 HA PHE 13 HA PHE 13 -6.669 -2.142 -1.288
72 HB2 PHE 13 1HB PHE 13 -7.727 -1.856 1.530
73 HB3 PHE 13 2HB PHE 13 -6.884 -0.628 0.591
74 HD1 PHE 13 HD2 PHE 13 -7.999 0.253 -1.503
75 HD2 PHE 13 HD1 PHE 13 -10.045 -2.083 1.408
76 HE1 PHE 13 HE2 PHE 13 -10.153 1.071 -2.366
77 HE2 PHE 13 HE1 PHE 13 -12.203 -1.270 0.548
78 HZ PHE 13 HZ PHE 13 -12.258 0.310 -1.340
79 H LYS 14 H LYS 14 -4.558 -2.472 -1.205
80 HA LYS 14 HA LYS 14 -3.376 -3.561 1.251
81 HB2 LYS 14 1HB LYS 14 -3.472 -5.477 -0.148
82 HB3 LYS 14 2HB LYS 14 -2.955 -4.564 -1.560
83 HG2 LYS 14 1HG LYS 14 -1.107 -4.708 0.758
84 HG3 LYS 14 2HG LYS 14 -1.310 -6.149 -0.241
85 HD2 LYS 14 1HD LYS 14 -0.900 -4.568 -2.231
86 HD3 LYS 14 2HD LYS 14 -0.274 -3.443 -1.023
87 HE2 LYS 14 1HE LYS 14 1.292 -5.221 -0.268
88 HE3 LYS 14 2HE LYS 14 0.724 -6.231 -1.597
89 HZ1 LYS 14 3HZ LYS 14 2.825 -4.925 -1.997
90 HZ2 LYS 14 1HZ LYS 14 1.862 -3.534 -2.035
91 HZ3 LYS 14 2HZ LYS 14 1.619 -4.762 -3.173
92 H CYS 15 H CYS 15 -1.893 -2.201 1.980
93 HA CYS 15 HA CYS 15 -0.946 0.015 0.527
94 HB2 CYS 15 1HB CYS 15 -1.060 -0.027 2.982
95 HB3 CYS 15 2HB CYS 15 0.201 -1.255 3.022
96 H ASN 16 H ASN 16 0.960 0.425 -0.523
97 HA ASN 16 HA ASN 16 2.536 -1.940 -1.249
98 HB2 ASN 16 1HB ASN 16 1.442 -0.517 -3.037
99 HB3 ASN 16 2HB ASN 16 2.571 0.762 -2.599
100 HD21 ASN 16 1HD2 ASN 16 2.068 -1.324 -4.901
101 HD22 ASN 16 2HD2 ASN 16 3.679 -1.793 -5.315
102 H GLU 17 H GLU 17 2.678 0.925 0.583
103 HA GLU 17 HA GLU 17 5.482 1.410 0.413
104 HB2 GLU 17 1HB GLU 17 3.571 2.203 2.617
105 HB3 GLU 17 2HB GLU 17 5.151 2.906 2.298
106 HG2 GLU 17 1HG GLU 17 4.054 3.365 -0.068
107 HG3 GLU 17 2HG GLU 17 2.576 3.301 0.890
108 H CYS 18 H CYS 18 3.417 -0.444 2.589
109 HA CYS 18 HA CYS 18 5.847 -1.562 3.827
110 HB2 CYS 18 1HB CYS 18 4.584 -1.884 5.886
111 HB3 CYS 18 2HB CYS 18 4.542 -0.189 5.410
112 H GLY 19 H GLY 19 2.466 -2.235 2.959
113 HA2 GLY 19 1HA GLY 19 2.128 -4.247 1.557
114 HA3 GLY 19 2HA GLY 19 3.233 -5.073 2.647
115 H LYS 20 H LYS 20 0.890 -2.829 3.888
116 HA LYS 20 HA LYS 20 -0.325 -4.938 5.446
117 HB2 LYS 20 1HB LYS 20 -0.385 -1.966 5.443
118 HB3 LYS 20 2HB LYS 20 -1.780 -2.795 6.120
119 HG2 LYS 20 1HG LYS 20 0.132 -4.137 7.392
120 HG3 LYS 20 2HG LYS 20 0.999 -2.624 7.119
121 HD2 LYS 20 1HD LYS 20 0.002 -2.111 9.103
122 HD3 LYS 20 2HD LYS 20 -1.286 -1.601 8.009
123 HE2 LYS 20 1HE LYS 20 -2.598 -3.437 8.487
124 HE3 LYS 20 2HE LYS 20 -1.224 -4.420 8.991
125 HZ1 LYS 20 3HZ LYS 20 -1.856 -3.927 11.052
126 HZ2 LYS 20 1HZ LYS 20 -2.893 -2.689 10.547
127 HZ3 LYS 20 2HZ LYS 20 -1.248 -2.372 10.780
128 H THR 21 H THR 21 -2.897 -4.348 5.741
129 HA THR 21 HA THR 21 -4.177 -4.031 3.154
130 HB THR 21 HB THR 21 -5.436 -6.147 3.326
131 HG1 THR 21 HG1 THR 21 -4.577 -6.206 5.759
132 HG21 THR 21 3HG2 THR 21 -2.432 -6.310 3.191
133 HG22 THR 21 1HG2 THR 21 -3.581 -6.222 1.856
134 HG23 THR 21 2HG2 THR 21 -3.476 -7.686 2.834
135 H PHE 22 H PHE 22 -6.347 -3.476 3.284
136 HA PHE 22 HA PHE 22 -7.600 -3.401 5.921
137 HB2 PHE 22 1HB PHE 22 -7.594 -0.927 4.204
138 HB3 PHE 22 2HB PHE 22 -8.055 -1.083 5.895
139 HD1 PHE 22 HD2 PHE 22 -5.124 -1.379 3.628
140 HD2 PHE 22 HD1 PHE 22 -6.534 -0.570 7.561
141 HE1 PHE 22 HE2 PHE 22 -2.852 -0.718 4.302
142 HE2 PHE 22 HE1 PHE 22 -4.264 0.094 8.242
143 HZ PHE 22 HZ PHE 22 -2.420 0.019 6.612
144 H SER 23 H SER 23 -9.784 -3.636 5.878
145 HA SER 23 HA SER 23 -11.008 -4.716 3.608
146 HB2 SER 23 1HB SER 23 -11.932 -5.278 5.722
147 HB3 SER 23 2HB SER 23 -12.141 -3.584 6.166
148 HG SER 23 HG SER 23 -13.846 -3.427 4.811
149 H HIS 24 H HIS 24 -11.285 -1.470 5.025
150 HA HIS 24 HA HIS 24 -12.651 -0.579 2.578
151 HB2 HIS 24 1HB HIS 24 -12.751 0.294 5.424
152 HB3 HIS 24 2HB HIS 24 -12.977 1.525 4.185
153 HD1 HIS 24 HD1 HIS 24 -14.590 -1.514 5.653
154 HD2 HIS 24 HD2 HIS 24 -15.385 1.376 2.776
155 HE1 HIS 24 HE1 HIS 24 -17.019 -1.798 5.069
156 H SER 25 H SER 25 -12.051 1.483 1.666
157 HA SER 25 HA SER 25 -9.251 1.765 1.369
158 HB2 SER 25 1HB SER 25 -9.811 3.744 -0.005
159 HB3 SER 25 2HB SER 25 -10.795 2.346 -0.436
160 HG SER 25 HG SER 25 -11.742 4.635 0.054
161 H ALA 26 H ALA 26 -11.666 3.936 2.842
162 HA ALA 26 HA ALA 26 -10.264 6.024 3.713
163 HB1 ALA 26 3HB ALA 26 -12.602 5.659 4.305
164 HB2 ALA 26 1HB ALA 26 -12.122 4.430 5.476
165 HB3 ALA 26 2HB ALA 26 -11.655 6.113 5.721
166 H HIS 27 H HIS 27 -10.001 2.777 5.057
167 HA HIS 27 HA HIS 27 -8.313 3.473 7.230
168 HB2 HIS 27 1HB HIS 27 -8.663 0.821 5.818
169 HB3 HIS 27 2HB HIS 27 -7.849 1.049 7.363
170 HD1 HIS 27 HD1 HIS 27 -10.789 -0.329 6.334
171 HD2 HIS 27 HD2 HIS 27 -9.994 2.737 9.023
172 HE1 HIS 27 HE1 HIS 27 -12.807 -0.206 7.829
173 H LEU 28 H LEU 28 -7.641 2.089 4.022
174 HA LEU 28 HA LEU 28 -4.855 1.942 4.297
175 HB2 LEU 28 1HB LEU 28 -5.866 0.737 2.538
176 HB3 LEU 28 2HB LEU 28 -6.654 2.180 1.903
177 HG LEU 28 HG LEU 28 -4.481 3.037 1.165
178 HD11 LEU 28 1HD1 LEU 28 -2.552 1.421 1.174
179 HD12 LEU 28 2HD1 LEU 28 -3.460 0.465 2.345
180 HD13 LEU 28 3HD1 LEU 28 -2.974 2.114 2.741
181 HD21 LEU 28 3HD2 LEU 28 -5.990 1.293 -0.114
182 HD22 LEU 28 1HD2 LEU 28 -4.570 0.266 0.089
183 HD23 LEU 28 2HD2 LEU 28 -4.431 1.806 -0.760
184 H SER 29 H SER 29 -6.743 4.371 2.487
185 HA SER 29 HA SER 29 -4.761 6.116 1.813
186 HB2 SER 29 1HB SER 29 -7.094 6.417 1.123
187 HB3 SER 29 2HB SER 29 -7.539 6.851 2.774
188 HG SER 29 HG SER 29 -5.756 8.527 2.395
189 H LYS 30 H LYS 30 -6.496 5.998 4.905
190 HA LYS 30 HA LYS 30 -5.166 8.209 6.070
191 HB2 LYS 30 1HB LYS 30 -7.341 6.870 6.774
192 HB3 LYS 30 2HB LYS 30 -6.194 5.977 7.764
193 HG2 LYS 30 1HG LYS 30 -5.483 8.082 8.810
194 HG3 LYS 30 2HG LYS 30 -6.683 8.947 7.847
195 HD2 LYS 30 1HD LYS 30 -7.876 8.638 9.774
196 HD3 LYS 30 2HD LYS 30 -8.312 7.162 8.911
197 HE2 LYS 30 1HE LYS 30 -6.422 6.022 10.100
198 HE3 LYS 30 2HE LYS 30 -6.235 7.481 11.071
199 HZ1 LYS 30 3HZ LYS 30 -8.915 6.824 11.179
200 HZ2 LYS 30 1HZ LYS 30 -7.773 6.664 12.416
201 HZ3 LYS 30 2HZ LYS 30 -8.086 5.364 11.382
202 H HIS 31 H HIS 31 -4.560 4.725 6.135
203 HA HIS 31 HA HIS 31 -2.392 4.852 7.966
204 HB2 HIS 31 1HB HIS 31 -3.315 2.728 7.837
205 HB3 HIS 31 2HB HIS 31 -3.459 2.784 6.082
206 HD1 HIS 31 HD1 HIS 31 -1.042 1.996 8.822
207 HD2 HIS 31 HD2 HIS 31 -1.184 1.969 4.669
208 HE1 HIS 31 HE1 HIS 31 1.001 0.727 8.087
209 H GLN 32 H GLN 32 -2.687 5.739 4.718
210 HA GLN 32 HA GLN 32 0.025 5.186 3.934
211 HB2 GLN 32 1HB GLN 32 -2.204 6.776 2.672
212 HB3 GLN 32 2HB GLN 32 -0.599 6.668 1.962
213 HG2 GLN 32 1HG GLN 32 -1.024 4.085 2.220
214 HG3 GLN 32 2HG GLN 32 -2.712 4.596 2.206
215 HE21 GLN 32 1HE2 GLN 32 -1.923 2.992 0.234
216 HE22 GLN 32 2HE2 GLN 32 -1.778 3.853 -1.256
217 H LEU 33 H LEU 33 -1.745 7.881 5.282
218 HA LEU 33 HA LEU 33 0.112 9.925 4.765
219 HB2 LEU 33 1HB LEU 33 -1.788 9.637 7.088
220 HB3 LEU 33 2HB LEU 33 -0.976 11.124 6.604
221 HG LEU 33 HG LEU 33 -2.824 9.690 4.725
222 HD11 LEU 33 1HD1 LEU 33 -3.524 11.464 7.031
223 HD12 LEU 33 2HD1 LEU 33 -4.289 9.967 6.500
224 HD13 LEU 33 3HD1 LEU 33 -4.513 11.449 5.571
225 HD21 LEU 33 3HD2 LEU 33 -3.034 12.427 4.424
226 HD22 LEU 33 1HD2 LEU 33 -2.080 11.336 3.420
227 HD23 LEU 33 2HD2 LEU 33 -1.323 12.176 4.773
228 H ILE 34 H ILE 34 0.170 7.300 6.981
229 HA ILE 34 HA ILE 34 1.941 8.426 8.904
230 HB ILE 34 HB ILE 34 2.002 6.354 9.915
231 HG12 ILE 34 1HG1 ILE 34 1.705 5.197 7.145
232 HG13 ILE 34 2HG1 ILE 34 3.069 5.038 8.247
233 HG21 ILE 34 1HG2 ILE 34 -0.360 7.243 9.438
234 HG22 ILE 34 2HG2 ILE 34 -0.479 5.907 8.294
235 HG23 ILE 34 3HG2 ILE 34 -0.196 5.581 10.003
236 HD11 ILE 34 3HD1 ILE 34 1.768 3.627 9.707
237 HD12 ILE 34 1HD1 ILE 34 0.341 3.852 8.696
238 HD13 ILE 34 2HD1 ILE 34 1.741 2.984 8.065
239 H HIS 35 H HIS 35 2.364 6.814 5.839
240 HA HIS 35 HA HIS 35 5.165 6.300 6.183
241 HB2 HIS 35 1HB HIS 35 3.288 6.184 3.833
242 HB3 HIS 35 2HB HIS 35 5.023 5.957 3.630
243 HD1 HIS 35 HD1 HIS 35 5.955 4.020 5.491
244 HD2 HIS 35 HD2 HIS 35 2.033 3.823 4.134
245 HE1 HIS 35 HE1 HIS 35 5.218 1.653 5.908
246 H ALA 36 H ALA 36 3.215 8.880 4.842
247 HA ALA 36 HA ALA 36 5.374 10.233 3.547
248 HB1 ALA 36 3HB ALA 36 3.779 11.561 2.717
249 HB2 ALA 36 1HB ALA 36 2.644 10.423 3.444
250 HB3 ALA 36 2HB ALA 36 3.097 11.893 4.309
251 H GLY 37 H GLY 37 7.038 10.958 4.727
252 HA2 GLY 37 1HA GLY 37 6.403 12.641 7.067
253 HA3 GLY 37 2HA GLY 37 7.684 11.440 7.142
254 H GLU 38 H GLU 38 6.644 14.266 5.247
255 HA GLU 38 HA GLU 38 9.364 14.767 4.386
256 HB2 GLU 38 1HB GLU 38 6.738 16.157 3.884
257 HB3 GLU 38 2HB GLU 38 8.269 16.825 3.336
258 HG2 GLU 38 1HG GLU 38 8.668 14.952 1.920
259 HG3 GLU 38 2HG GLU 38 7.296 14.078 2.598
260 H ASN 39 H ASN 39 10.699 16.369 5.090
261 HA ASN 39 HA ASN 39 9.749 18.368 6.962
262 HB2 ASN 39 1HB ASN 39 11.980 16.518 7.815
263 HB3 ASN 39 2HB ASN 39 11.195 17.769 8.773
264 HD21 ASN 39 1HD2 ASN 39 11.370 14.541 8.259
265 HD22 ASN 39 2HD2 ASN 39 9.834 14.060 8.887
266 HA PRO 40 HA PRO 40 12.836 20.733 4.900
267 HB2 PRO 40 1HB PRO 40 13.127 22.736 6.709
268 HB3 PRO 40 2HB PRO 40 11.711 22.586 5.662
269 HG2 PRO 40 1HG PRO 40 12.046 21.774 8.524
270 HG3 PRO 40 2HG PRO 40 10.677 22.589 7.745
271 HD2 PRO 40 1HD PRO 40 10.675 19.937 8.290
272 HD3 PRO 40 2HD PRO 40 9.833 20.624 6.886
273 H SER 41 H SER 41 13.403 18.911 7.608
274 HA SER 41 HA SER 41 16.212 19.778 7.798
275 HB2 SER 41 1HB SER 41 14.743 19.823 9.892
276 HB3 SER 41 2HB SER 41 14.771 18.062 9.821
277 HG SER 41 HG SER 41 16.948 19.836 10.171
278 H GLY 42 H GLY 42 15.494 18.214 5.637
279 HA2 GLY 42 1HA GLY 42 16.783 15.650 6.336
280 HA3 GLY 42 2HA GLY 42 15.411 15.717 5.239
281 HA PRO 43 HA PRO 43 19.480 16.008 2.895
282 HB2 PRO 43 1HB PRO 43 19.153 13.741 1.438
283 HB3 PRO 43 2HB PRO 43 19.941 13.761 3.020
284 HG2 PRO 43 1HG PRO 43 17.130 13.012 2.312
285 HG3 PRO 43 2HG PRO 43 18.255 12.211 3.425
286 HD2 PRO 43 1HD PRO 43 16.280 13.855 4.281
287 HD3 PRO 43 2HD PRO 43 17.834 13.709 5.126
288 H SER 44 H SER 44 16.205 15.087 1.939
289 HA SER 44 HA SER 44 16.340 15.617 -0.784
290 HB2 SER 44 1HB SER 44 13.961 15.720 -0.762
291 HB3 SER 44 2HB SER 44 14.408 14.586 0.511
292 HG SER 44 HG SER 44 13.518 15.865 1.911
293 H SER 45 H SER 45 15.642 17.439 -2.025
294 HA SER 45 HA SER 45 16.673 19.914 -1.020
295 HB2 SER 45 1HB SER 45 15.579 18.945 -3.619
296 HB3 SER 45 2HB SER 45 15.593 20.685 -3.332
297 HG SER 45 HG SER 45 17.811 18.917 -3.245
298 H GLY 46 H GLY 46 15.279 20.332 0.765
299 HA2 GLY 46 1HA GLY 46 13.559 22.227 0.880
300 HA3 GLY 46 2HA GLY 46 12.524 21.085 0.035
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 8.683 -27.020 -8.533
2 HA2 GLY 1 1HA GLY 1 7.254 -24.934 -8.810
3 HA3 GLY 1 2HA GLY 1 5.980 -26.067 -9.235
4 H SER 2 H SER 2 6.338 -24.092 -6.985
5 HA SER 2 HA SER 2 5.518 -25.928 -4.860
6 HB2 SER 2 1HB SER 2 7.987 -25.291 -4.628
7 HB3 SER 2 2HB SER 2 7.419 -23.660 -4.272
8 HG SER 2 HG SER 2 6.295 -25.797 -2.862
9 H SER 3 H SER 3 4.114 -25.026 -3.325
10 HA SER 3 HA SER 3 2.162 -23.347 -4.135
11 HB2 SER 3 1HB SER 3 3.250 -23.613 -1.324
12 HB3 SER 3 2HB SER 3 1.704 -22.865 -1.725
13 HG SER 3 HG SER 3 2.191 -25.418 -2.727
14 H GLY 4 H GLY 4 5.017 -22.311 -2.266
15 HA2 GLY 4 1HA GLY 4 5.905 -20.214 -1.917
16 HA3 GLY 4 2HA GLY 4 5.608 -20.017 -3.638
17 H SER 5 H SER 5 5.386 -17.729 -2.897
18 HA SER 5 HA SER 5 2.677 -17.206 -1.866
19 HB2 SER 5 1HB SER 5 5.242 -15.643 -1.644
20 HB3 SER 5 2HB SER 5 3.675 -14.871 -1.398
21 HG SER 5 HG SER 5 4.855 -15.843 0.495
22 H SER 6 H SER 6 1.641 -17.340 -3.868
23 HA SER 6 HA SER 6 2.205 -15.084 -5.674
24 HB2 SER 6 1HB SER 6 1.568 -17.943 -6.408
25 HB3 SER 6 2HB SER 6 1.406 -16.608 -7.548
26 HG SER 6 HG SER 6 3.477 -17.791 -7.526
27 H GLY 7 H GLY 7 0.383 -14.959 -3.577
28 HA2 GLY 7 1HA GLY 7 -1.892 -13.947 -4.769
29 HA3 GLY 7 2HA GLY 7 -2.264 -15.626 -4.404
30 H THR 8 H THR 8 -2.339 -12.509 -3.240
31 HA THR 8 HA THR 8 -2.079 -13.208 -0.432
32 HB THR 8 HB THR 8 -2.642 -10.804 -0.035
33 HG1 THR 8 HG1 THR 8 -3.271 -9.584 -1.657
34 HG21 THR 8 3HG2 THR 8 -0.377 -10.975 -0.024
35 HG22 THR 8 1HG2 THR 8 -0.533 -10.018 -1.496
36 HG23 THR 8 2HG2 THR 8 -0.319 -11.766 -1.598
37 H LYS 9 H LYS 9 -4.612 -11.756 -2.484
38 HA LYS 9 HA LYS 9 -6.877 -11.630 -2.219
39 HB2 LYS 9 1HB LYS 9 -6.334 -14.468 -1.340
40 HB3 LYS 9 2HB LYS 9 -7.947 -13.835 -1.641
41 HG2 LYS 9 1HG LYS 9 -5.769 -13.808 -3.710
42 HG3 LYS 9 2HG LYS 9 -6.904 -15.145 -3.517
43 HD2 LYS 9 1HD LYS 9 -8.000 -12.389 -3.756
44 HD3 LYS 9 2HD LYS 9 -7.365 -13.164 -5.209
45 HE2 LYS 9 1HE LYS 9 -9.648 -13.707 -5.178
46 HE3 LYS 9 2HE LYS 9 -8.828 -15.153 -4.591
47 HZ1 LYS 9 3HZ LYS 9 -9.581 -14.829 -2.467
48 HZ2 LYS 9 1HZ LYS 9 -10.893 -14.224 -3.347
49 HZ3 LYS 9 2HZ LYS 9 -9.777 -13.159 -2.654
50 H GLU 10 H GLU 10 -5.598 -10.423 -0.111
51 HA GLU 10 HA GLU 10 -6.927 -11.358 2.320
52 HB2 GLU 10 1HB GLU 10 -4.841 -9.219 1.870
53 HB3 GLU 10 2HB GLU 10 -5.550 -9.590 3.435
54 HG2 GLU 10 1HG GLU 10 -4.317 -11.809 1.899
55 HG3 GLU 10 2HG GLU 10 -3.255 -10.627 2.663
56 H HIS 11 H HIS 11 -6.671 -8.456 0.296
57 HA HIS 11 HA HIS 11 -9.385 -7.743 0.732
58 HB2 HIS 11 1HB HIS 11 -7.280 -6.422 2.383
59 HB3 HIS 11 2HB HIS 11 -8.596 -5.429 1.765
60 HD1 HIS 11 HD1 HIS 11 -11.059 -6.914 2.224
61 HD2 HIS 11 HD2 HIS 11 -7.885 -7.180 4.892
62 HE1 HIS 11 HE1 HIS 11 -12.068 -7.684 4.395
63 HA PRO 12 HA PRO 12 -8.721 -5.455 -2.950
64 HB2 PRO 12 1HB PRO 12 -10.477 -3.402 -2.684
65 HB3 PRO 12 2HB PRO 12 -10.985 -5.065 -3.002
66 HG2 PRO 12 1HG PRO 12 -10.918 -3.567 -0.411
67 HG3 PRO 12 2HG PRO 12 -12.174 -4.644 -1.048
68 HD2 PRO 12 1HD PRO 12 -10.368 -5.447 0.803
69 HD3 PRO 12 2HD PRO 12 -11.038 -6.548 -0.418
70 H PHE 13 H PHE 13 -8.118 -4.008 0.097
71 HA PHE 13 HA PHE 13 -6.577 -1.864 -1.211
72 HB2 PHE 13 1HB PHE 13 -7.826 -1.733 1.539
73 HB3 PHE 13 2HB PHE 13 -6.998 -0.431 0.692
74 HD1 PHE 13 HD2 PHE 13 -8.031 0.457 -1.442
75 HD2 PHE 13 HD1 PHE 13 -10.117 -2.075 1.271
76 HE1 PHE 13 HE2 PHE 13 -10.171 1.188 -2.410
77 HE2 PHE 13 HE1 PHE 13 -12.261 -1.348 0.306
78 HZ PHE 13 HZ PHE 13 -12.290 0.287 -1.536
79 H LYS 14 H LYS 14 -4.542 -2.614 -1.207
80 HA LYS 14 HA LYS 14 -3.425 -3.484 1.377
81 HB2 LYS 14 1HB LYS 14 -3.506 -5.451 0.052
82 HB3 LYS 14 2HB LYS 14 -2.938 -4.601 -1.379
83 HG2 LYS 14 1HG LYS 14 -1.174 -4.724 1.015
84 HG3 LYS 14 2HG LYS 14 -1.340 -6.153 -0.007
85 HD2 LYS 14 1HD LYS 14 -0.860 -4.515 -1.955
86 HD3 LYS 14 2HD LYS 14 -0.234 -3.453 -0.691
87 HE2 LYS 14 1HE LYS 14 1.648 -4.625 -1.409
88 HE3 LYS 14 2HE LYS 14 1.150 -5.489 0.045
89 HZ1 LYS 14 3HZ LYS 14 1.718 -6.953 -1.847
90 HZ2 LYS 14 1HZ LYS 14 0.411 -6.312 -2.708
91 HZ3 LYS 14 2HZ LYS 14 0.140 -7.177 -1.281
92 H CYS 15 H CYS 15 -1.932 -2.131 2.099
93 HA CYS 15 HA CYS 15 -0.927 0.038 0.633
94 HB2 CYS 15 1HB CYS 15 -1.053 -0.068 3.117
95 HB3 CYS 15 2HB CYS 15 0.278 -1.221 3.106
96 H ASN 16 H ASN 16 0.754 0.270 -0.703
97 HA ASN 16 HA ASN 16 2.377 -2.079 -1.292
98 HB2 ASN 16 1HB ASN 16 2.330 0.579 -2.733
99 HB3 ASN 16 2HB ASN 16 3.019 -0.932 -3.318
100 HD21 ASN 16 1HD2 ASN 16 0.713 0.990 -4.076
101 HD22 ASN 16 2HD2 ASN 16 -0.579 -0.094 -4.448
102 H GLU 17 H GLU 17 2.572 0.704 0.576
103 HA GLU 17 HA GLU 17 5.373 1.237 0.262
104 HB2 GLU 17 1HB GLU 17 3.529 2.061 2.511
105 HB3 GLU 17 2HB GLU 17 5.100 2.757 2.139
106 HG2 GLU 17 1HG GLU 17 4.059 3.310 -0.154
107 HG3 GLU 17 2HG GLU 17 2.519 3.033 0.658
108 H CYS 18 H CYS 18 3.377 -0.562 2.552
109 HA CYS 18 HA CYS 18 5.845 -1.704 3.688
110 HB2 CYS 18 1HB CYS 18 4.674 -1.949 5.826
111 HB3 CYS 18 2HB CYS 18 4.712 -0.262 5.322
112 H GLY 19 H GLY 19 2.422 -2.281 2.957
113 HA2 GLY 19 1HA GLY 19 2.038 -4.364 1.633
114 HA3 GLY 19 2HA GLY 19 3.044 -5.168 2.828
115 H LYS 20 H LYS 20 0.998 -2.745 4.079
116 HA LYS 20 HA LYS 20 -0.469 -4.648 5.625
117 HB2 LYS 20 1HB LYS 20 -0.352 -1.683 5.415
118 HB3 LYS 20 2HB LYS 20 -1.805 -2.384 6.115
119 HG2 LYS 20 1HG LYS 20 -0.055 -3.728 7.553
120 HG3 LYS 20 2HG LYS 20 0.980 -2.358 7.146
121 HD2 LYS 20 1HD LYS 20 -0.601 -0.815 8.103
122 HD3 LYS 20 2HD LYS 20 -1.766 -2.113 8.371
123 HE2 LYS 20 1HE LYS 20 0.963 -2.259 9.589
124 HE3 LYS 20 2HE LYS 20 -0.291 -1.275 10.342
125 HZ1 LYS 20 3HZ LYS 20 -1.709 -3.267 10.398
126 HZ2 LYS 20 1HZ LYS 20 -0.294 -3.456 11.306
127 HZ3 LYS 20 2HZ LYS 20 -0.429 -4.189 9.787
128 H THR 21 H THR 21 -2.897 -4.521 5.775
129 HA THR 21 HA THR 21 -4.181 -4.006 3.192
130 HB THR 21 HB THR 21 -5.411 -6.159 3.335
131 HG1 THR 21 HG1 THR 21 -4.621 -7.740 4.779
132 HG21 THR 21 3HG2 THR 21 -2.843 -7.366 3.231
133 HG22 THR 21 1HG2 THR 21 -2.702 -5.739 2.566
134 HG23 THR 21 2HG2 THR 21 -3.875 -6.870 1.889
135 H PHE 22 H PHE 22 -6.338 -3.449 3.305
136 HA PHE 22 HA PHE 22 -7.634 -3.468 5.929
137 HB2 PHE 22 1HB PHE 22 -7.664 -0.981 4.229
138 HB3 PHE 22 2HB PHE 22 -8.165 -1.162 5.907
139 HD1 PHE 22 HD2 PHE 22 -5.183 -1.304 3.698
140 HD2 PHE 22 HD1 PHE 22 -6.686 -0.683 7.631
141 HE1 PHE 22 HE2 PHE 22 -2.948 -0.590 4.436
142 HE2 PHE 22 HE1 PHE 22 -4.453 0.033 8.375
143 HZ PHE 22 HZ PHE 22 -2.580 0.079 6.777
144 H SER 23 H SER 23 -9.826 -3.710 5.868
145 HA SER 23 HA SER 23 -10.992 -4.807 3.561
146 HB2 SER 23 1HB SER 23 -13.137 -4.633 4.840
147 HB3 SER 23 2HB SER 23 -11.833 -5.397 5.749
148 HG SER 23 HG SER 23 -13.010 -2.877 6.087
149 H HIS 24 H HIS 24 -10.999 -1.553 4.873
150 HA HIS 24 HA HIS 24 -12.568 -0.664 2.542
151 HB2 HIS 24 1HB HIS 24 -12.542 0.208 5.388
152 HB3 HIS 24 2HB HIS 24 -12.791 1.449 4.163
153 HD1 HIS 24 HD1 HIS 24 -14.628 -0.817 6.204
154 HD2 HIS 24 HD2 HIS 24 -15.029 0.599 2.319
155 HE1 HIS 24 HE1 HIS 24 -17.026 -1.243 5.577
156 H SER 25 H SER 25 -12.016 1.489 1.705
157 HA SER 25 HA SER 25 -9.197 1.713 1.295
158 HB2 SER 25 1HB SER 25 -9.710 3.376 -0.303
159 HB3 SER 25 2HB SER 25 -11.072 2.258 -0.377
160 HG SER 25 HG SER 25 -10.943 4.822 0.791
161 H ALA 26 H ALA 26 -11.625 3.787 2.862
162 HA ALA 26 HA ALA 26 -10.205 5.950 3.620
163 HB1 ALA 26 3HB ALA 26 -11.840 4.619 5.732
164 HB2 ALA 26 1HB ALA 26 -11.756 6.321 5.278
165 HB3 ALA 26 2HB ALA 26 -12.617 5.175 4.249
166 H HIS 27 H HIS 27 -10.058 2.770 5.171
167 HA HIS 27 HA HIS 27 -8.342 3.499 7.283
168 HB2 HIS 27 1HB HIS 27 -8.621 0.799 5.947
169 HB3 HIS 27 2HB HIS 27 -7.931 1.102 7.539
170 HD1 HIS 27 HD1 HIS 27 -10.770 -0.357 6.343
171 HD2 HIS 27 HD2 HIS 27 -10.215 2.818 8.964
172 HE1 HIS 27 HE1 HIS 27 -12.897 -0.205 7.674
173 H LEU 28 H LEU 28 -7.670 2.110 4.084
174 HA LEU 28 HA LEU 28 -4.880 1.920 4.390
175 HB2 LEU 28 1HB LEU 28 -5.867 0.697 2.639
176 HB3 LEU 28 2HB LEU 28 -6.674 2.123 1.991
177 HG LEU 28 HG LEU 28 -4.494 2.999 1.258
178 HD11 LEU 28 1HD1 LEU 28 -3.534 0.582 2.685
179 HD12 LEU 28 2HD1 LEU 28 -2.814 2.187 2.558
180 HD13 LEU 28 3HD1 LEU 28 -2.694 1.058 1.209
181 HD21 LEU 28 3HD2 LEU 28 -5.921 1.603 -0.221
182 HD22 LEU 28 1HD2 LEU 28 -4.981 0.193 0.270
183 HD23 LEU 28 2HD2 LEU 28 -4.201 1.512 -0.604
184 H SER 29 H SER 29 -6.771 4.360 2.597
185 HA SER 29 HA SER 29 -4.746 6.077 1.908
186 HB2 SER 29 1HB SER 29 -7.132 6.307 1.219
187 HB3 SER 29 2HB SER 29 -7.501 6.933 2.826
188 HG SER 29 HG SER 29 -5.451 8.131 1.337
189 H LYS 30 H LYS 30 -6.442 5.854 4.993
190 HA LYS 30 HA LYS 30 -5.213 8.138 6.161
191 HB2 LYS 30 1HB LYS 30 -7.357 6.772 6.856
192 HB3 LYS 30 2HB LYS 30 -6.205 5.854 7.819
193 HG2 LYS 30 1HG LYS 30 -5.460 8.197 8.668
194 HG3 LYS 30 2HG LYS 30 -7.046 8.704 8.080
195 HD2 LYS 30 1HD LYS 30 -7.932 6.688 9.435
196 HD3 LYS 30 2HD LYS 30 -6.370 6.754 10.254
197 HE2 LYS 30 1HE LYS 30 -6.823 8.767 11.248
198 HE3 LYS 30 2HE LYS 30 -7.921 9.276 9.966
199 HZ1 LYS 30 3HZ LYS 30 -9.557 7.696 10.801
200 HZ2 LYS 30 1HZ LYS 30 -9.121 8.808 12.000
201 HZ3 LYS 30 2HZ LYS 30 -8.504 7.233 12.042
202 H HIS 31 H HIS 31 -4.519 4.667 6.249
203 HA HIS 31 HA HIS 31 -2.349 4.872 8.074
204 HB2 HIS 31 1HB HIS 31 -3.200 2.723 7.994
205 HB3 HIS 31 2HB HIS 31 -3.399 2.753 6.244
206 HD1 HIS 31 HD1 HIS 31 -0.870 2.077 8.916
207 HD2 HIS 31 HD2 HIS 31 -1.163 1.949 4.774
208 HE1 HIS 31 HE1 HIS 31 1.175 0.839 8.136
209 H GLN 32 H GLN 32 -2.676 5.697 4.812
210 HA GLN 32 HA GLN 32 0.038 5.186 4.016
211 HB2 GLN 32 1HB GLN 32 -2.252 6.691 2.769
212 HB3 GLN 32 2HB GLN 32 -0.644 6.695 2.056
213 HG2 GLN 32 1HG GLN 32 -0.914 4.083 2.286
214 HG3 GLN 32 2HG GLN 32 -2.628 4.498 2.259
215 HE21 GLN 32 1HE2 GLN 32 -1.275 2.982 0.296
216 HE22 GLN 32 2HE2 GLN 32 -1.340 3.860 -1.190
217 H LEU 33 H LEU 33 -1.785 7.912 5.268
218 HA LEU 33 HA LEU 33 0.014 9.973 4.746
219 HB2 LEU 33 1HB LEU 33 -1.784 9.633 7.142
220 HB3 LEU 33 2HB LEU 33 -1.032 11.142 6.628
221 HG LEU 33 HG LEU 33 -2.933 9.648 4.846
222 HD11 LEU 33 1HD1 LEU 33 -3.619 11.702 6.943
223 HD12 LEU 33 2HD1 LEU 33 -4.124 10.013 6.920
224 HD13 LEU 33 3HD1 LEU 33 -4.712 11.126 5.684
225 HD21 LEU 33 3HD2 LEU 33 -1.310 11.852 4.460
226 HD22 LEU 33 1HD2 LEU 33 -2.896 12.550 4.787
227 HD23 LEU 33 2HD2 LEU 33 -2.698 11.389 3.474
228 H ILE 34 H ILE 34 0.209 7.363 6.983
229 HA ILE 34 HA ILE 34 2.044 8.541 8.813
230 HB ILE 34 HB ILE 34 2.185 6.480 9.844
231 HG12 ILE 34 1HG1 ILE 34 1.781 5.298 7.101
232 HG13 ILE 34 2HG1 ILE 34 3.179 5.142 8.160
233 HG21 ILE 34 1HG2 ILE 34 -0.210 7.343 9.464
234 HG22 ILE 34 2HG2 ILE 34 -0.368 5.979 8.359
235 HG23 ILE 34 3HG2 ILE 34 0.003 5.697 10.060
236 HD11 ILE 34 3HD1 ILE 34 0.463 3.948 8.663
237 HD12 ILE 34 1HD1 ILE 34 1.874 3.085 8.051
238 HD13 ILE 34 2HD1 ILE 34 1.891 3.759 9.681
239 H HIS 35 H HIS 35 2.361 6.873 5.763
240 HA HIS 35 HA HIS 35 5.188 6.432 5.998
241 HB2 HIS 35 1HB HIS 35 3.218 6.195 3.733
242 HB3 HIS 35 2HB HIS 35 4.948 5.986 3.474
243 HD1 HIS 35 HD1 HIS 35 5.970 4.142 5.395
244 HD2 HIS 35 HD2 HIS 35 2.022 3.819 4.142
245 HE1 HIS 35 HE1 HIS 35 5.289 1.779 5.920
246 H ALA 36 H ALA 36 3.109 8.903 4.637
247 HA ALA 36 HA ALA 36 5.256 10.278 3.296
248 HB1 ALA 36 3HB ALA 36 3.614 11.915 2.694
249 HB2 ALA 36 1HB ALA 36 2.900 10.315 2.496
250 HB3 ALA 36 2HB ALA 36 2.486 11.299 3.901
251 H GLY 37 H GLY 37 6.622 11.687 4.177
252 HA2 GLY 37 1HA GLY 37 5.815 13.047 6.669
253 HA3 GLY 37 2HA GLY 37 7.399 12.301 6.515
254 H GLU 38 H GLU 38 5.366 14.964 5.541
255 HA GLU 38 HA GLU 38 7.776 16.381 4.627
256 HB2 GLU 38 1HB GLU 38 6.118 17.594 3.034
257 HB3 GLU 38 2HB GLU 38 6.745 16.015 2.582
258 HG2 GLU 38 1HG GLU 38 4.556 15.670 2.133
259 HG3 GLU 38 2HG GLU 38 4.563 15.196 3.830
260 H ASN 39 H ASN 39 8.142 17.903 6.098
261 HA ASN 39 HA ASN 39 5.940 19.683 6.843
262 HB2 ASN 39 1HB ASN 39 6.097 18.097 8.684
263 HB3 ASN 39 2HB ASN 39 7.830 18.380 8.813
264 HD21 ASN 39 1HD2 ASN 39 4.659 19.752 9.300
265 HD22 ASN 39 2HD2 ASN 39 5.153 21.004 10.383
266 HA PRO 40 HA PRO 40 8.954 22.765 5.910
267 HB2 PRO 40 1HB PRO 40 7.723 24.882 7.083
268 HB3 PRO 40 2HB PRO 40 7.173 24.174 5.560
269 HG2 PRO 40 1HG PRO 40 6.126 23.753 8.332
270 HG3 PRO 40 2HG PRO 40 5.228 23.985 6.821
271 HD2 PRO 40 1HD PRO 40 5.604 21.545 7.931
272 HD3 PRO 40 2HD PRO 40 5.497 21.789 6.176
273 H SER 41 H SER 41 10.789 23.440 6.851
274 HA SER 41 HA SER 41 10.959 23.291 9.783
275 HB2 SER 41 1HB SER 41 12.471 21.876 8.218
276 HB3 SER 41 2HB SER 41 13.341 23.386 7.948
277 HG SER 41 HG SER 41 13.745 21.753 9.892
278 H GLY 42 H GLY 42 10.116 25.390 10.142
279 HA2 GLY 42 1HA GLY 42 10.130 27.720 10.118
280 HA3 GLY 42 2HA GLY 42 11.743 27.412 10.746
281 HA PRO 43 HA PRO 43 13.332 29.682 7.334
282 HB2 PRO 43 1HB PRO 43 15.880 28.745 7.347
283 HB3 PRO 43 2HB PRO 43 15.267 29.877 8.558
284 HG2 PRO 43 1HG PRO 43 15.607 26.908 8.740
285 HG3 PRO 43 2HG PRO 43 15.989 28.154 9.943
286 HD2 PRO 43 1HD PRO 43 13.739 26.653 10.066
287 HD3 PRO 43 2HD PRO 43 13.800 28.332 10.640
288 H SER 44 H SER 44 14.497 29.348 5.249
289 HA SER 44 HA SER 44 14.300 28.405 3.161
290 HB2 SER 44 1HB SER 44 15.579 26.292 2.973
291 HB3 SER 44 2HB SER 44 16.413 27.483 3.970
292 HG SER 44 HG SER 44 16.110 25.141 4.713
293 H SER 45 H SER 45 11.846 28.294 4.309
294 HA SER 45 HA SER 45 10.852 25.563 4.036
295 HB2 SER 45 1HB SER 45 8.712 26.501 4.860
296 HB3 SER 45 2HB SER 45 10.052 26.844 5.955
297 HG SER 45 HG SER 45 9.013 28.634 4.009
298 H GLY 46 H GLY 46 10.352 28.781 2.621
299 HA2 GLY 46 1HA GLY 46 9.108 27.444 0.296
300 HA3 GLY 46 2HA GLY 46 8.572 29.008 0.892
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 -13.272 -5.141 16.730
2 HA2 GLY 1 1HA GLY 1 -12.135 -7.281 18.424
3 HA3 GLY 1 2HA GLY 1 -13.650 -7.474 17.555
4 H SER 2 H SER 2 -11.314 -9.134 17.346
5 HA SER 2 HA SER 2 -10.728 -8.733 14.490
6 HB2 SER 2 1HB SER 2 -8.785 -9.685 16.608
7 HB3 SER 2 2HB SER 2 -8.454 -9.631 14.877
8 HG SER 2 HG SER 2 -8.157 -7.547 14.999
9 H SER 3 H SER 3 -10.678 -10.559 13.218
10 HA SER 3 HA SER 3 -11.350 -13.103 14.541
11 HB2 SER 3 1HB SER 3 -13.034 -13.586 12.967
12 HB3 SER 3 2HB SER 3 -13.292 -11.886 13.357
13 HG SER 3 HG SER 3 -12.094 -11.379 11.449
14 H GLY 4 H GLY 4 -11.167 -14.953 12.804
15 HA2 GLY 4 1HA GLY 4 -8.423 -14.861 11.884
16 HA3 GLY 4 2HA GLY 4 -9.486 -16.260 11.865
17 H SER 5 H SER 5 -7.799 -15.620 9.739
18 HA SER 5 HA SER 5 -9.368 -14.283 7.707
19 HB2 SER 5 1HB SER 5 -7.449 -14.806 6.226
20 HB3 SER 5 2HB SER 5 -6.946 -13.983 7.702
21 HG SER 5 HG SER 5 -6.513 -16.615 6.886
22 H SER 6 H SER 6 -8.052 -17.560 8.177
23 HA SER 6 HA SER 6 -8.606 -19.564 7.234
24 HB2 SER 6 1HB SER 6 -10.514 -19.201 8.775
25 HB3 SER 6 2HB SER 6 -11.402 -18.422 7.465
26 HG SER 6 HG SER 6 -10.961 -21.086 7.951
27 H GLY 7 H GLY 7 -7.797 -17.713 5.329
28 HA2 GLY 7 1HA GLY 7 -8.619 -18.890 2.946
29 HA3 GLY 7 2HA GLY 7 -9.602 -17.449 3.161
30 H THR 8 H THR 8 -6.742 -18.652 1.926
31 HA THR 8 HA THR 8 -4.743 -16.892 2.245
32 HB THR 8 HB THR 8 -4.114 -17.190 -0.121
33 HG1 THR 8 HG1 THR 8 -5.837 -17.270 -1.384
34 HG21 THR 8 3HG2 THR 8 -5.092 -19.889 0.445
35 HG22 THR 8 1HG2 THR 8 -4.285 -19.125 1.814
36 HG23 THR 8 2HG2 THR 8 -3.440 -19.296 0.275
37 H LYS 9 H LYS 9 -7.485 -16.344 0.040
38 HA LYS 9 HA LYS 9 -6.963 -14.017 -1.148
39 HB2 LYS 9 1HB LYS 9 -9.488 -14.879 0.240
40 HB3 LYS 9 2HB LYS 9 -9.406 -13.352 -0.629
41 HG2 LYS 9 1HG LYS 9 -8.545 -15.842 -2.014
42 HG3 LYS 9 2HG LYS 9 -10.268 -15.526 -1.801
43 HD2 LYS 9 1HD LYS 9 -8.515 -13.362 -2.872
44 HD3 LYS 9 2HD LYS 9 -9.001 -14.681 -3.940
45 HE2 LYS 9 1HE LYS 9 -10.936 -13.033 -2.323
46 HE3 LYS 9 2HE LYS 9 -10.492 -12.663 -3.988
47 HZ1 LYS 9 3HZ LYS 9 -11.262 -14.961 -4.551
48 HZ2 LYS 9 1HZ LYS 9 -12.486 -13.902 -4.057
49 HZ3 LYS 9 2HZ LYS 9 -11.899 -15.072 -2.987
50 H GLU 10 H GLU 10 -7.138 -11.781 -0.706
51 HA GLU 10 HA GLU 10 -7.076 -11.049 2.142
52 HB2 GLU 10 1HB GLU 10 -5.219 -9.563 1.790
53 HB3 GLU 10 2HB GLU 10 -4.769 -11.159 1.206
54 HG2 GLU 10 1HG GLU 10 -5.047 -10.495 -1.061
55 HG3 GLU 10 2HG GLU 10 -5.777 -8.964 -0.582
56 H HIS 11 H HIS 11 -7.091 -8.505 2.269
57 HA HIS 11 HA HIS 11 -9.575 -7.667 1.216
58 HB2 HIS 11 1HB HIS 11 -7.347 -6.209 2.627
59 HB3 HIS 11 2HB HIS 11 -8.803 -5.381 2.084
60 HD1 HIS 11 HD1 HIS 11 -11.069 -6.974 2.962
61 HD2 HIS 11 HD2 HIS 11 -7.601 -6.784 5.243
62 HE1 HIS 11 HE1 HIS 11 -11.762 -7.608 5.294
63 HA PRO 12 HA PRO 12 -8.580 -5.944 -2.694
64 HB2 PRO 12 1HB PRO 12 -10.259 -3.813 -2.792
65 HB3 PRO 12 2HB PRO 12 -10.818 -5.484 -2.934
66 HG2 PRO 12 1HG PRO 12 -10.836 -3.676 -0.548
67 HG3 PRO 12 2HG PRO 12 -12.099 -4.780 -1.125
68 HD2 PRO 12 1HD PRO 12 -10.438 -5.408 0.919
69 HD3 PRO 12 2HD PRO 12 -11.083 -6.629 -0.197
70 H PHE 13 H PHE 13 -8.232 -4.032 0.169
71 HA PHE 13 HA PHE 13 -6.569 -2.093 -1.292
72 HB2 PHE 13 1HB PHE 13 -7.811 -1.806 1.452
73 HB3 PHE 13 2HB PHE 13 -6.914 -0.567 0.580
74 HD1 PHE 13 HD2 PHE 13 -7.870 0.300 -1.594
75 HD2 PHE 13 HD1 PHE 13 -10.108 -2.070 1.143
76 HE1 PHE 13 HE2 PHE 13 -9.960 1.086 -2.628
77 HE2 PHE 13 HE1 PHE 13 -12.202 -1.288 0.113
78 HZ PHE 13 HZ PHE 13 -12.129 0.292 -1.774
79 H LYS 14 H LYS 14 -4.475 -2.526 -1.184
80 HA LYS 14 HA LYS 14 -3.363 -3.464 1.374
81 HB2 LYS 14 1HB LYS 14 -3.414 -5.364 -0.133
82 HB3 LYS 14 2HB LYS 14 -2.632 -4.425 -1.398
83 HG2 LYS 14 1HG LYS 14 -0.768 -4.163 0.467
84 HG3 LYS 14 2HG LYS 14 -1.481 -5.677 1.029
85 HD2 LYS 14 1HD LYS 14 -1.258 -6.422 -1.439
86 HD3 LYS 14 2HD LYS 14 -0.122 -5.077 -1.575
87 HE2 LYS 14 1HE LYS 14 1.425 -6.070 -0.216
88 HE3 LYS 14 2HE LYS 14 0.210 -6.964 0.697
89 HZ1 LYS 14 3HZ LYS 14 -0.062 -8.457 -1.171
90 HZ2 LYS 14 1HZ LYS 14 1.560 -8.421 -0.690
91 HZ3 LYS 14 2HZ LYS 14 1.070 -7.586 -2.077
92 H CYS 15 H CYS 15 -1.856 -2.150 2.147
93 HA CYS 15 HA CYS 15 -0.997 0.169 0.843
94 HB2 CYS 15 1HB CYS 15 -0.990 -0.204 3.317
95 HB3 CYS 15 2HB CYS 15 0.414 -1.246 3.113
96 H ASN 16 H ASN 16 0.489 0.517 -0.666
97 HA ASN 16 HA ASN 16 2.240 -1.669 -1.462
98 HB2 ASN 16 1HB ASN 16 1.440 0.943 -2.721
99 HB3 ASN 16 2HB ASN 16 2.815 0.029 -3.333
100 HD21 ASN 16 1HD2 ASN 16 -0.630 0.112 -2.940
101 HD22 ASN 16 2HD2 ASN 16 -0.990 -1.184 -4.025
102 H GLU 17 H GLU 17 2.538 0.292 0.937
103 HA GLU 17 HA GLU 17 5.278 1.182 0.337
104 HB2 GLU 17 1HB GLU 17 3.494 2.067 2.610
105 HB3 GLU 17 2HB GLU 17 5.050 2.754 2.164
106 HG2 GLU 17 1HG GLU 17 3.897 3.212 -0.117
107 HG3 GLU 17 2HG GLU 17 2.408 3.016 0.806
108 H CYS 18 H CYS 18 3.296 -0.617 2.623
109 HA CYS 18 HA CYS 18 5.768 -1.710 3.799
110 HB2 CYS 18 1HB CYS 18 4.581 -1.964 5.922
111 HB3 CYS 18 2HB CYS 18 4.577 -0.280 5.408
112 H GLY 19 H GLY 19 2.458 -2.325 2.772
113 HA2 GLY 19 1HA GLY 19 2.070 -4.404 1.543
114 HA3 GLY 19 2HA GLY 19 3.113 -5.205 2.709
115 H LYS 20 H LYS 20 0.976 -2.857 3.987
116 HA LYS 20 HA LYS 20 -0.423 -4.860 5.496
117 HB2 LYS 20 1HB LYS 20 -0.320 -1.888 5.446
118 HB3 LYS 20 2HB LYS 20 -1.760 -2.633 6.128
119 HG2 LYS 20 1HG LYS 20 -0.117 -4.016 7.543
120 HG3 LYS 20 2HG LYS 20 1.073 -2.798 7.077
121 HD2 LYS 20 1HD LYS 20 -0.303 -1.045 8.030
122 HD3 LYS 20 2HD LYS 20 -1.570 -2.213 8.412
123 HE2 LYS 20 1HE LYS 20 0.195 -3.414 9.806
124 HE3 LYS 20 2HE LYS 20 1.168 -1.955 9.626
125 HZ1 LYS 20 3HZ LYS 20 -0.077 -0.863 11.101
126 HZ2 LYS 20 1HZ LYS 20 -0.651 -2.382 11.575
127 HZ3 LYS 20 2HZ LYS 20 -1.535 -1.450 10.475
128 H THR 21 H THR 21 -2.894 -4.568 5.725
129 HA THR 21 HA THR 21 -4.178 -4.022 3.153
130 HB THR 21 HB THR 21 -5.436 -6.126 3.211
131 HG1 THR 21 HG1 THR 21 -4.634 -7.770 4.701
132 HG21 THR 21 3HG2 THR 21 -3.760 -6.639 1.803
133 HG22 THR 21 1HG2 THR 21 -3.139 -7.610 3.137
134 HG23 THR 21 2HG2 THR 21 -2.528 -5.976 2.878
135 H PHE 22 H PHE 22 -6.284 -3.340 3.298
136 HA PHE 22 HA PHE 22 -7.558 -3.353 5.938
137 HB2 PHE 22 1HB PHE 22 -7.461 -0.877 4.212
138 HB3 PHE 22 2HB PHE 22 -8.084 -1.018 5.852
139 HD1 PHE 22 HD2 PHE 22 -4.959 -1.330 3.867
140 HD2 PHE 22 HD1 PHE 22 -6.716 -0.545 7.663
141 HE1 PHE 22 HE2 PHE 22 -2.754 -0.693 4.752
142 HE2 PHE 22 HE1 PHE 22 -4.514 0.095 8.554
143 HZ PHE 22 HZ PHE 22 -2.529 0.021 7.098
144 H SER 23 H SER 23 -9.714 -3.682 5.897
145 HA SER 23 HA SER 23 -10.970 -4.757 3.681
146 HB2 SER 23 1HB SER 23 -11.899 -5.177 5.839
147 HB3 SER 23 2HB SER 23 -12.124 -3.457 6.152
148 HG SER 23 HG SER 23 -13.634 -3.486 4.363
149 H HIS 24 H HIS 24 -11.309 -1.459 4.978
150 HA HIS 24 HA HIS 24 -12.592 -0.657 2.461
151 HB2 HIS 24 1HB HIS 24 -12.717 0.342 5.262
152 HB3 HIS 24 2HB HIS 24 -12.908 1.523 3.969
153 HD1 HIS 24 HD1 HIS 24 -14.558 -1.501 5.465
154 HD2 HIS 24 HD2 HIS 24 -15.326 1.420 2.612
155 HE1 HIS 24 HE1 HIS 24 -16.990 -1.757 4.879
156 H SER 25 H SER 25 -12.014 1.510 1.614
157 HA SER 25 HA SER 25 -9.176 1.705 1.311
158 HB2 SER 25 1HB SER 25 -9.637 3.452 -0.282
159 HB3 SER 25 2HB SER 25 -10.838 2.181 -0.513
160 HG SER 25 HG SER 25 -11.199 4.772 0.153
161 H ALA 26 H ALA 26 -11.665 3.805 2.736
162 HA ALA 26 HA ALA 26 -10.292 5.998 3.487
163 HB1 ALA 26 3HB ALA 26 -12.677 5.504 4.019
164 HB2 ALA 26 1HB ALA 26 -12.120 4.529 5.379
165 HB3 ALA 26 2HB ALA 26 -11.785 6.260 5.339
166 H HIS 27 H HIS 27 -10.039 2.816 4.972
167 HA HIS 27 HA HIS 27 -8.432 3.620 7.171
168 HB2 HIS 27 1HB HIS 27 -8.653 0.900 5.864
169 HB3 HIS 27 2HB HIS 27 -7.976 1.227 7.456
170 HD1 HIS 27 HD1 HIS 27 -10.812 -0.240 6.219
171 HD2 HIS 27 HD2 HIS 27 -10.266 2.894 8.890
172 HE1 HIS 27 HE1 HIS 27 -12.944 -0.109 7.547
173 H LEU 28 H LEU 28 -7.634 2.090 4.057
174 HA LEU 28 HA LEU 28 -4.871 1.957 4.402
175 HB2 LEU 28 1HB LEU 28 -5.819 0.760 2.611
176 HB3 LEU 28 2HB LEU 28 -6.598 2.200 1.959
177 HG LEU 28 HG LEU 28 -4.393 3.071 1.297
178 HD11 LEU 28 1HD1 LEU 28 -2.486 1.431 1.309
179 HD12 LEU 28 2HD1 LEU 28 -3.432 0.456 2.434
180 HD13 LEU 28 3HD1 LEU 28 -2.934 2.087 2.884
181 HD21 LEU 28 3HD2 LEU 28 -4.186 1.764 -0.625
182 HD22 LEU 28 1HD2 LEU 28 -5.865 1.536 -0.137
183 HD23 LEU 28 2HD2 LEU 28 -4.668 0.288 0.211
184 H SER 29 H SER 29 -6.702 4.426 2.586
185 HA SER 29 HA SER 29 -4.661 6.143 1.966
186 HB2 SER 29 1HB SER 29 -6.305 7.876 1.739
187 HB3 SER 29 2HB SER 29 -7.083 6.359 1.289
188 HG SER 29 HG SER 29 -7.740 8.084 3.243
189 H LYS 30 H LYS 30 -6.424 5.904 5.015
190 HA LYS 30 HA LYS 30 -5.197 8.156 6.238
191 HB2 LYS 30 1HB LYS 30 -7.363 6.827 6.882
192 HB3 LYS 30 2HB LYS 30 -6.250 5.840 7.821
193 HG2 LYS 30 1HG LYS 30 -5.450 8.145 8.752
194 HG3 LYS 30 2HG LYS 30 -7.032 8.691 8.191
195 HD2 LYS 30 1HD LYS 30 -8.050 6.816 9.500
196 HD3 LYS 30 2HD LYS 30 -6.449 6.491 10.170
197 HE2 LYS 30 1HE LYS 30 -7.379 7.847 11.790
198 HE3 LYS 30 2HE LYS 30 -6.496 9.012 10.804
199 HZ1 LYS 30 3HZ LYS 30 -8.738 9.772 11.344
200 HZ2 LYS 30 1HZ LYS 30 -9.397 8.424 10.563
201 HZ3 LYS 30 2HZ LYS 30 -8.538 9.580 9.675
202 H HIS 31 H HIS 31 -4.528 4.679 6.298
203 HA HIS 31 HA HIS 31 -2.370 4.872 8.148
204 HB2 HIS 31 1HB HIS 31 -3.242 2.734 8.099
205 HB3 HIS 31 2HB HIS 31 -3.456 2.746 6.351
206 HD1 HIS 31 HD1 HIS 31 -0.923 2.047 9.009
207 HD2 HIS 31 HD2 HIS 31 -1.236 1.907 4.869
208 HE1 HIS 31 HE1 HIS 31 1.098 0.773 8.225
209 H GLN 32 H GLN 32 -2.676 5.644 4.868
210 HA GLN 32 HA GLN 32 0.033 5.086 4.090
211 HB2 GLN 32 1HB GLN 32 -2.242 6.585 2.816
212 HB3 GLN 32 2HB GLN 32 -0.631 6.596 2.113
213 HG2 GLN 32 1HG GLN 32 -0.840 4.006 2.294
214 HG3 GLN 32 2HG GLN 32 -2.568 4.348 2.377
215 HE21 GLN 32 1HE2 GLN 32 -1.651 2.870 0.326
216 HE22 GLN 32 2HE2 GLN 32 -1.698 3.772 -1.147
217 H LEU 33 H LEU 33 -1.760 7.870 5.268
218 HA LEU 33 HA LEU 33 0.057 9.898 4.728
219 HB2 LEU 33 1HB LEU 33 -1.761 9.568 7.109
220 HB3 LEU 33 2HB LEU 33 -0.940 11.065 6.670
221 HG LEU 33 HG LEU 33 -2.838 9.724 4.772
222 HD11 LEU 33 1HD1 LEU 33 -3.475 11.436 7.144
223 HD12 LEU 33 2HD1 LEU 33 -4.257 9.954 6.596
224 HD13 LEU 33 3HD1 LEU 33 -4.495 11.458 5.706
225 HD21 LEU 33 3HD2 LEU 33 -1.185 12.000 4.679
226 HD22 LEU 33 1HD2 LEU 33 -2.845 12.583 4.793
227 HD23 LEU 33 2HD2 LEU 33 -2.386 11.481 3.496
228 H ILE 34 H ILE 34 0.244 7.318 7.006
229 HA ILE 34 HA ILE 34 2.122 8.498 8.789
230 HB ILE 34 HB ILE 34 2.240 6.459 9.859
231 HG12 ILE 34 1HG1 ILE 34 1.781 5.215 7.149
232 HG13 ILE 34 2HG1 ILE 34 3.209 5.092 8.170
233 HG21 ILE 34 1HG2 ILE 34 0.057 5.741 10.132
234 HG22 ILE 34 2HG2 ILE 34 -0.157 7.345 9.434
235 HG23 ILE 34 3HG2 ILE 34 -0.323 5.912 8.418
236 HD11 ILE 34 3HD1 ILE 34 2.204 3.036 8.435
237 HD12 ILE 34 1HD1 ILE 34 1.620 3.929 9.838
238 HD13 ILE 34 2HD1 ILE 34 0.576 3.715 8.432
239 H HIS 35 H HIS 35 2.370 6.825 5.745
240 HA HIS 35 HA HIS 35 5.207 6.360 5.963
241 HB2 HIS 35 1HB HIS 35 3.195 6.016 3.749
242 HB3 HIS 35 2HB HIS 35 4.921 5.803 3.467
243 HD1 HIS 35 HD1 HIS 35 5.974 4.063 5.486
244 HD2 HIS 35 HD2 HIS 35 2.032 3.642 4.244
245 HE1 HIS 35 HE1 HIS 35 5.317 1.719 6.116
246 H ALA 36 H ALA 36 3.083 8.699 4.404
247 HA ALA 36 HA ALA 36 4.803 10.018 2.725
248 HB1 ALA 36 3HB ALA 36 3.270 11.707 2.662
249 HB2 ALA 36 1HB ALA 36 2.284 10.444 3.400
250 HB3 ALA 36 2HB ALA 36 3.016 11.694 4.407
251 H GLY 37 H GLY 37 4.262 10.802 6.168
252 HA2 GLY 37 1HA GLY 37 6.983 11.278 6.721
253 HA3 GLY 37 2HA GLY 37 6.207 12.811 6.351
254 H GLU 38 H GLU 38 3.834 12.761 7.509
255 HA GLU 38 HA GLU 38 4.418 13.080 10.256
256 HB2 GLU 38 1HB GLU 38 2.154 13.730 10.521
257 HB3 GLU 38 2HB GLU 38 2.636 14.292 8.927
258 HG2 GLU 38 1HG GLU 38 1.362 11.623 9.124
259 HG3 GLU 38 2HG GLU 38 0.346 13.046 9.349
260 H ASN 39 H ASN 39 3.223 12.012 12.035
261 HA ASN 39 HA ASN 39 2.447 9.247 11.494
262 HB2 ASN 39 1HB ASN 39 4.359 9.826 13.743
263 HB3 ASN 39 2HB ASN 39 3.963 8.277 13.006
264 HD21 ASN 39 1HD2 ASN 39 5.424 7.484 11.690
265 HD22 ASN 39 2HD2 ASN 39 6.612 8.388 10.820
266 HA PRO 40 HA PRO 40 -0.701 10.194 14.424
267 HB2 PRO 40 1HB PRO 40 -1.431 7.666 15.093
268 HB3 PRO 40 2HB PRO 40 -1.846 8.408 13.543
269 HG2 PRO 40 1HG PRO 40 0.365 6.499 14.198
270 HG3 PRO 40 2HG PRO 40 -0.723 6.512 12.798
271 HD2 PRO 40 1HD PRO 40 1.810 7.462 12.683
272 HD3 PRO 40 2HD PRO 40 0.490 8.144 11.712
273 H SER 41 H SER 41 1.572 7.618 15.373
274 HA SER 41 HA SER 41 2.148 8.928 17.861
275 HB2 SER 41 1HB SER 41 0.385 6.500 17.784
276 HB3 SER 41 2HB SER 41 1.470 6.756 19.150
277 HG SER 41 HG SER 41 0.186 8.258 19.855
278 H GLY 42 H GLY 42 4.217 8.554 18.313
279 HA2 GLY 42 1HA GLY 42 6.170 7.324 18.631
280 HA3 GLY 42 2HA GLY 42 5.388 5.937 17.887
281 HA PRO 43 HA PRO 43 8.210 8.476 14.913
282 HB2 PRO 43 1HB PRO 43 10.636 7.349 15.376
283 HB3 PRO 43 2HB PRO 43 10.077 8.802 16.212
284 HG2 PRO 43 1HG PRO 43 10.081 5.960 17.151
285 HG3 PRO 43 2HG PRO 43 10.524 7.431 18.036
286 HD2 PRO 43 1HD PRO 43 8.121 6.220 18.334
287 HD3 PRO 43 2HD PRO 43 8.328 7.977 18.478
288 H SER 44 H SER 44 9.563 7.477 13.132
289 HA SER 44 HA SER 44 8.659 4.718 12.622
290 HB2 SER 44 1HB SER 44 8.550 5.271 10.248
291 HB3 SER 44 2HB SER 44 7.554 6.396 11.171
292 HG SER 44 HG SER 44 9.796 6.864 9.665
293 H SER 45 H SER 45 10.114 3.248 11.870
294 HA SER 45 HA SER 45 12.843 4.176 11.303
295 HB2 SER 45 1HB SER 45 11.968 2.193 13.369
296 HB3 SER 45 2HB SER 45 13.520 1.964 12.563
297 HG SER 45 HG SER 45 14.200 3.323 14.017
298 H GLY 46 H GLY 46 13.224 3.600 9.268
299 HA2 GLY 46 1HA GLY 46 13.743 1.240 8.208
300 HA3 GLY 46 2HA GLY 46 11.987 1.181 8.187
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 -3.134 -22.468 23.071
2 HA2 GLY 1 1HA GLY 1 -2.063 -20.812 20.870
3 HA3 GLY 1 2HA GLY 1 -3.633 -21.597 20.774
4 H SER 2 H SER 2 -1.776 -19.161 22.538
5 HA SER 2 HA SER 2 -3.634 -18.084 24.206
6 HB2 SER 2 1HB SER 2 -1.411 -16.881 22.613
7 HB3 SER 2 2HB SER 2 -2.516 -15.799 23.461
8 HG SER 2 HG SER 2 -1.688 -16.401 25.306
9 H SER 3 H SER 3 -3.309 -17.424 20.738
10 HA SER 3 HA SER 3 -6.119 -16.788 20.565
11 HB2 SER 3 1HB SER 3 -4.969 -14.631 21.251
12 HB3 SER 3 2HB SER 3 -4.146 -14.672 19.692
13 HG SER 3 HG SER 3 -6.324 -14.791 18.767
14 H GLY 4 H GLY 4 -6.941 -17.164 18.555
15 HA2 GLY 4 1HA GLY 4 -5.050 -18.250 16.593
16 HA3 GLY 4 2HA GLY 4 -6.781 -18.548 16.631
17 H SER 5 H SER 5 -6.820 -18.046 14.372
18 HA SER 5 HA SER 5 -6.908 -15.147 13.892
19 HB2 SER 5 1HB SER 5 -4.868 -15.799 12.847
20 HB3 SER 5 2HB SER 5 -5.603 -17.246 12.156
21 HG SER 5 HG SER 5 -6.778 -15.959 10.764
22 H SER 6 H SER 6 -8.383 -14.472 12.266
23 HA SER 6 HA SER 6 -10.855 -15.719 12.296
24 HB2 SER 6 1HB SER 6 -10.452 -13.343 11.660
25 HB3 SER 6 2HB SER 6 -9.812 -13.898 10.113
26 HG SER 6 HG SER 6 -12.449 -14.025 11.094
27 H GLY 7 H GLY 7 -8.600 -15.609 9.526
28 HA2 GLY 7 1HA GLY 7 -8.328 -18.112 8.741
29 HA3 GLY 7 2HA GLY 7 -10.018 -17.867 8.326
30 H THR 8 H THR 8 -8.592 -18.551 6.266
31 HA THR 8 HA THR 8 -7.046 -16.747 4.877
32 HB THR 8 HB THR 8 -7.278 -18.937 3.981
33 HG1 THR 8 HG1 THR 8 -7.561 -16.825 2.511
34 HG21 THR 8 3HG2 THR 8 -9.284 -19.874 4.481
35 HG22 THR 8 1HG2 THR 8 -9.676 -19.349 2.844
36 HG23 THR 8 2HG2 THR 8 -10.172 -18.372 4.226
37 H LYS 9 H LYS 9 -7.686 -14.623 5.039
38 HA LYS 9 HA LYS 9 -10.023 -13.897 3.420
39 HB2 LYS 9 1HB LYS 9 -9.448 -13.090 6.245
40 HB3 LYS 9 2HB LYS 9 -10.273 -11.960 5.179
41 HG2 LYS 9 1HG LYS 9 -12.073 -13.500 4.835
42 HG3 LYS 9 2HG LYS 9 -11.214 -14.769 5.710
43 HD2 LYS 9 1HD LYS 9 -11.555 -13.755 7.769
44 HD3 LYS 9 2HD LYS 9 -11.828 -12.165 7.052
45 HE2 LYS 9 1HE LYS 9 -13.945 -13.068 6.071
46 HE3 LYS 9 2HE LYS 9 -13.685 -14.540 7.007
47 HZ1 LYS 9 3HZ LYS 9 -14.352 -11.835 7.956
48 HZ2 LYS 9 1HZ LYS 9 -13.533 -12.904 8.981
49 HZ3 LYS 9 2HZ LYS 9 -15.055 -13.317 8.370
50 H GLU 10 H GLU 10 -9.607 -12.343 1.977
51 HA GLU 10 HA GLU 10 -7.108 -10.814 2.291
52 HB2 GLU 10 1HB GLU 10 -6.908 -10.753 -0.108
53 HB3 GLU 10 2HB GLU 10 -7.129 -12.423 0.393
54 HG2 GLU 10 1HG GLU 10 -9.352 -12.469 -0.373
55 HG3 GLU 10 2HG GLU 10 -9.412 -10.716 -0.540
56 H HIS 11 H HIS 11 -7.087 -8.634 1.525
57 HA HIS 11 HA HIS 11 -9.757 -7.387 1.546
58 HB2 HIS 11 1HB HIS 11 -7.158 -6.069 2.342
59 HB3 HIS 11 2HB HIS 11 -8.789 -5.448 2.577
60 HD1 HIS 11 HD1 HIS 11 -7.119 -5.576 5.030
61 HD2 HIS 11 HD2 HIS 11 -9.369 -8.816 3.726
62 HE1 HIS 11 HE1 HIS 11 -7.475 -7.010 7.065
63 HA PRO 12 HA PRO 12 -9.011 -5.889 -2.522
64 HB2 PRO 12 1HB PRO 12 -10.666 -3.736 -2.511
65 HB3 PRO 12 2HB PRO 12 -11.255 -5.400 -2.594
66 HG2 PRO 12 1HG PRO 12 -11.067 -3.574 -0.230
67 HG3 PRO 12 2HG PRO 12 -12.384 -4.665 -0.699
68 HD2 PRO 12 1HD PRO 12 -10.579 -5.299 1.218
69 HD3 PRO 12 2HD PRO 12 -11.323 -6.520 0.166
70 H PHE 13 H PHE 13 -8.205 -4.142 0.289
71 HA PHE 13 HA PHE 13 -6.658 -2.215 -1.316
72 HB2 PHE 13 1HB PHE 13 -7.794 -1.769 1.452
73 HB3 PHE 13 2HB PHE 13 -6.884 -0.600 0.500
74 HD1 PHE 13 HD2 PHE 13 -7.882 0.255 -1.642
75 HD2 PHE 13 HD1 PHE 13 -10.109 -2.008 1.193
76 HE1 PHE 13 HE2 PHE 13 -9.977 1.072 -2.640
77 HE2 PHE 13 HE1 PHE 13 -12.208 -1.195 0.199
78 HZ PHE 13 HZ PHE 13 -12.144 0.348 -1.720
79 H LYS 14 H LYS 14 -4.561 -2.629 -1.230
80 HA LYS 14 HA LYS 14 -3.403 -3.547 1.314
81 HB2 LYS 14 1HB LYS 14 -3.463 -5.507 -0.038
82 HB3 LYS 14 2HB LYS 14 -2.892 -4.633 -1.453
83 HG2 LYS 14 1HG LYS 14 -1.138 -4.707 0.941
84 HG3 LYS 14 2HG LYS 14 -1.297 -6.174 -0.027
85 HD2 LYS 14 1HD LYS 14 -0.753 -4.753 -2.044
86 HD3 LYS 14 2HD LYS 14 -0.330 -3.463 -0.915
87 HE2 LYS 14 1HE LYS 14 1.724 -4.421 -1.199
88 HE3 LYS 14 2HE LYS 14 1.139 -5.369 0.168
89 HZ1 LYS 14 3HZ LYS 14 0.461 -7.104 -1.360
90 HZ2 LYS 14 1HZ LYS 14 2.108 -6.769 -1.552
91 HZ3 LYS 14 2HZ LYS 14 0.991 -6.191 -2.682
92 H CYS 15 H CYS 15 -1.882 -2.213 2.017
93 HA CYS 15 HA CYS 15 -0.968 0.004 0.537
94 HB2 CYS 15 1HB CYS 15 -1.065 -0.003 2.989
95 HB3 CYS 15 2HB CYS 15 0.191 -1.235 3.042
96 H ASN 16 H ASN 16 0.837 0.367 -0.645
97 HA ASN 16 HA ASN 16 2.451 -1.977 -1.322
98 HB2 ASN 16 1HB ASN 16 1.330 -0.560 -3.102
99 HB3 ASN 16 2HB ASN 16 2.474 0.714 -2.691
100 HD21 ASN 16 1HD2 ASN 16 2.477 -0.118 -5.208
101 HD22 ASN 16 2HD2 ASN 16 3.864 -1.090 -5.550
102 H GLU 17 H GLU 17 2.602 0.845 0.544
103 HA GLU 17 HA GLU 17 5.392 1.386 0.319
104 HB2 GLU 17 1HB GLU 17 3.495 2.101 2.561
105 HB3 GLU 17 2HB GLU 17 5.075 2.816 2.271
106 HG2 GLU 17 1HG GLU 17 4.001 3.360 -0.079
107 HG3 GLU 17 2HG GLU 17 2.507 3.238 0.849
108 H CYS 18 H CYS 18 3.407 -0.438 2.617
109 HA CYS 18 HA CYS 18 5.885 -1.605 3.706
110 HB2 CYS 18 1HB CYS 18 4.688 -1.946 5.819
111 HB3 CYS 18 2HB CYS 18 4.709 -0.243 5.373
112 H GLY 19 H GLY 19 2.469 -2.238 2.969
113 HA2 GLY 19 1HA GLY 19 2.105 -4.268 1.570
114 HA3 GLY 19 2HA GLY 19 3.170 -5.096 2.696
115 H LYS 20 H LYS 20 0.926 -2.762 3.914
116 HA LYS 20 HA LYS 20 -0.387 -4.796 5.480
117 HB2 LYS 20 1HB LYS 20 -0.369 -1.821 5.405
118 HB3 LYS 20 2HB LYS 20 -1.781 -2.604 6.102
119 HG2 LYS 20 1HG LYS 20 0.019 -3.948 7.453
120 HG3 LYS 20 2HG LYS 20 1.033 -2.555 7.066
121 HD2 LYS 20 1HD LYS 20 -0.342 -1.078 8.238
122 HD3 LYS 20 2HD LYS 20 -1.711 -2.194 8.223
123 HE2 LYS 20 1HE LYS 20 0.843 -2.836 9.667
124 HE3 LYS 20 2HE LYS 20 -0.438 -1.891 10.425
125 HZ1 LYS 20 3HZ LYS 20 -0.467 -4.714 9.593
126 HZ2 LYS 20 1HZ LYS 20 -1.920 -3.854 9.696
127 HZ3 LYS 20 2HZ LYS 20 -0.942 -4.029 11.065
128 H THR 21 H THR 21 -2.862 -4.579 5.709
129 HA THR 21 HA THR 21 -4.159 -4.095 3.128
130 HB THR 21 HB THR 21 -5.401 -6.229 3.283
131 HG1 THR 21 HG1 THR 21 -5.307 -7.065 5.244
132 HG21 THR 21 3HG2 THR 21 -3.821 -6.823 1.818
133 HG22 THR 21 1HG2 THR 21 -2.976 -7.584 3.165
134 HG23 THR 21 2HG2 THR 21 -2.578 -5.931 2.695
135 H PHE 22 H PHE 22 -6.208 -3.324 3.277
136 HA PHE 22 HA PHE 22 -7.524 -3.370 5.900
137 HB2 PHE 22 1HB PHE 22 -7.450 -0.890 4.184
138 HB3 PHE 22 2HB PHE 22 -8.022 -1.041 5.842
139 HD1 PHE 22 HD2 PHE 22 -4.954 -1.349 3.766
140 HD2 PHE 22 HD1 PHE 22 -6.607 -0.551 7.607
141 HE1 PHE 22 HE2 PHE 22 -2.726 -0.705 4.588
142 HE2 PHE 22 HE1 PHE 22 -4.381 0.095 8.434
143 HZ PHE 22 HZ PHE 22 -2.437 0.017 6.924
144 H SER 23 H SER 23 -9.718 -3.568 5.851
145 HA SER 23 HA SER 23 -10.934 -4.648 3.574
146 HB2 SER 23 1HB SER 23 -11.636 -4.877 6.035
147 HB3 SER 23 2HB SER 23 -12.471 -3.339 5.814
148 HG SER 23 HG SER 23 -13.505 -4.424 3.958
149 H HIS 24 H HIS 24 -11.338 -1.431 5.046
150 HA HIS 24 HA HIS 24 -12.688 -0.524 2.607
151 HB2 HIS 24 1HB HIS 24 -12.669 0.372 5.444
152 HB3 HIS 24 2HB HIS 24 -12.900 1.606 4.209
153 HD1 HIS 24 HD1 HIS 24 -15.027 0.381 6.358
154 HD2 HIS 24 HD2 HIS 24 -14.876 -0.252 2.255
155 HE1 HIS 24 HE1 HIS 24 -17.359 -0.285 5.694
156 H SER 25 H SER 25 -12.069 1.471 1.606
157 HA SER 25 HA SER 25 -9.268 1.714 1.255
158 HB2 SER 25 1HB SER 25 -9.840 3.639 -0.198
159 HB3 SER 25 2HB SER 25 -10.820 2.219 -0.561
160 HG SER 25 HG SER 25 -12.364 3.271 1.000
161 H ALA 26 H ALA 26 -11.674 3.778 2.855
162 HA ALA 26 HA ALA 26 -10.217 5.958 3.558
163 HB1 ALA 26 3HB ALA 26 -12.076 4.509 5.437
164 HB2 ALA 26 1HB ALA 26 -11.646 6.219 5.481
165 HB3 ALA 26 2HB ALA 26 -12.593 5.581 4.136
166 H HIS 27 H HIS 27 -10.046 2.761 5.029
167 HA HIS 27 HA HIS 27 -8.374 3.485 7.198
168 HB2 HIS 27 1HB HIS 27 -8.775 0.813 5.837
169 HB3 HIS 27 2HB HIS 27 -7.916 1.044 7.358
170 HD1 HIS 27 HD1 HIS 27 -10.987 -0.155 6.315
171 HD2 HIS 27 HD2 HIS 27 -9.905 2.675 9.157
172 HE1 HIS 27 HE1 HIS 27 -12.944 0.002 7.886
173 H LEU 28 H LEU 28 -7.709 2.224 3.956
174 HA LEU 28 HA LEU 28 -4.919 1.953 4.281
175 HB2 LEU 28 1HB LEU 28 -5.863 0.792 2.486
176 HB3 LEU 28 2HB LEU 28 -6.721 2.216 1.901
177 HG LEU 28 HG LEU 28 -4.539 3.182 1.211
178 HD11 LEU 28 1HD1 LEU 28 -2.629 1.581 1.026
179 HD12 LEU 28 2HD1 LEU 28 -3.522 0.484 2.079
180 HD13 LEU 28 3HD1 LEU 28 -3.024 2.067 2.675
181 HD21 LEU 28 3HD2 LEU 28 -4.677 2.197 -0.818
182 HD22 LEU 28 1HD2 LEU 28 -6.124 1.470 -0.119
183 HD23 LEU 28 2HD2 LEU 28 -4.611 0.564 -0.153
184 H SER 29 H SER 29 -6.712 4.442 2.454
185 HA SER 29 HA SER 29 -4.673 6.153 1.861
186 HB2 SER 29 1HB SER 29 -6.912 6.565 1.047
187 HB3 SER 29 2HB SER 29 -7.500 6.852 2.685
188 HG SER 29 HG SER 29 -5.376 8.423 1.829
189 H LYS 30 H LYS 30 -6.456 5.958 4.910
190 HA LYS 30 HA LYS 30 -5.182 8.169 6.145
191 HB2 LYS 30 1HB LYS 30 -7.354 6.805 6.784
192 HB3 LYS 30 2HB LYS 30 -6.220 5.878 7.758
193 HG2 LYS 30 1HG LYS 30 -5.784 7.631 9.171
194 HG3 LYS 30 2HG LYS 30 -6.216 8.849 7.969
195 HD2 LYS 30 1HD LYS 30 -8.310 6.984 9.005
196 HD3 LYS 30 2HD LYS 30 -7.809 8.365 9.984
197 HE2 LYS 30 1HE LYS 30 -8.605 9.904 8.454
198 HE3 LYS 30 2HE LYS 30 -8.525 8.765 7.111
199 HZ1 LYS 30 3HZ LYS 30 -10.429 8.446 9.357
200 HZ2 LYS 30 1HZ LYS 30 -10.451 7.669 7.854
201 HZ3 LYS 30 2HZ LYS 30 -10.810 9.318 7.959
202 H HIS 31 H HIS 31 -4.538 4.689 6.156
203 HA HIS 31 HA HIS 31 -2.393 4.815 8.017
204 HB2 HIS 31 1HB HIS 31 -3.285 2.684 7.863
205 HB3 HIS 31 2HB HIS 31 -3.434 2.759 6.109
206 HD1 HIS 31 HD1 HIS 31 -0.999 1.969 8.834
207 HD2 HIS 31 HD2 HIS 31 -1.161 1.970 4.683
208 HE1 HIS 31 HE1 HIS 31 1.052 0.724 8.081
209 H GLN 32 H GLN 32 -2.662 5.715 4.766
210 HA GLN 32 HA GLN 32 0.068 5.202 4.017
211 HB2 GLN 32 1HB GLN 32 -2.177 6.745 2.728
212 HB3 GLN 32 2HB GLN 32 -0.558 6.691 2.043
213 HG2 GLN 32 1HG GLN 32 -0.832 4.133 2.167
214 HG3 GLN 32 2HG GLN 32 -2.550 4.484 2.343
215 HE21 GLN 32 1HE2 GLN 32 -0.899 3.220 0.178
216 HE22 GLN 32 2HE2 GLN 32 -1.347 4.069 -1.258
217 H LEU 33 H LEU 33 -1.751 7.850 5.379
218 HA LEU 33 HA LEU 33 0.061 9.938 4.875
219 HB2 LEU 33 1HB LEU 33 -1.883 9.552 7.145
220 HB3 LEU 33 2HB LEU 33 -1.032 11.057 6.803
221 HG LEU 33 HG LEU 33 -2.871 9.764 4.806
222 HD11 LEU 33 1HD1 LEU 33 -3.547 11.108 7.284
223 HD12 LEU 33 2HD1 LEU 33 -4.578 10.232 6.153
224 HD13 LEU 33 3HD1 LEU 33 -4.207 11.933 5.872
225 HD21 LEU 33 3HD2 LEU 33 -2.429 12.682 4.992
226 HD22 LEU 33 1HD2 LEU 33 -2.622 11.648 3.576
227 HD23 LEU 33 2HD2 LEU 33 -1.075 11.706 4.421
228 H ILE 34 H ILE 34 0.225 7.272 7.012
229 HA ILE 34 HA ILE 34 1.980 8.433 8.947
230 HB ILE 34 HB ILE 34 2.065 6.366 9.966
231 HG12 ILE 34 1HG1 ILE 34 1.731 5.181 7.210
232 HG13 ILE 34 2HG1 ILE 34 3.132 5.070 8.269
233 HG21 ILE 34 1HG2 ILE 34 -0.134 5.477 9.983
234 HG22 ILE 34 2HG2 ILE 34 -0.285 7.198 9.634
235 HG23 ILE 34 3HG2 ILE 34 -0.438 6.018 8.333
236 HD11 ILE 34 3HD1 ILE 34 2.012 2.973 8.284
237 HD12 ILE 34 1HD1 ILE 34 1.740 3.742 9.847
238 HD13 ILE 34 2HD1 ILE 34 0.462 3.739 8.630
239 H HIS 35 H HIS 35 2.379 6.910 5.853
240 HA HIS 35 HA HIS 35 5.187 6.378 6.173
241 HB2 HIS 35 1HB HIS 35 3.298 6.286 3.829
242 HB3 HIS 35 2HB HIS 35 5.030 6.042 3.628
243 HD1 HIS 35 HD1 HIS 35 5.975 4.054 5.370
244 HD2 HIS 35 HD2 HIS 35 1.982 3.967 4.225
245 HE1 HIS 35 HE1 HIS 35 5.203 1.700 5.801
246 H ALA 36 H ALA 36 3.208 8.926 4.779
247 HA ALA 36 HA ALA 36 5.410 10.313 3.577
248 HB1 ALA 36 3HB ALA 36 3.742 11.280 2.483
249 HB2 ALA 36 1HB ALA 36 2.569 10.512 3.554
250 HB3 ALA 36 2HB ALA 36 3.245 12.087 3.970
251 H GLY 37 H GLY 37 3.328 10.984 6.400
252 HA2 GLY 37 1HA GLY 37 3.799 12.067 8.374
253 HA3 GLY 37 2HA GLY 37 5.504 11.930 7.969
254 H GLU 38 H GLU 38 2.986 13.558 6.098
255 HA GLU 38 HA GLU 38 4.599 15.921 5.889
256 HB2 GLU 38 1HB GLU 38 2.864 14.877 4.201
257 HB3 GLU 38 2HB GLU 38 1.719 15.871 5.090
258 HG2 GLU 38 1HG GLU 38 2.466 17.068 3.158
259 HG3 GLU 38 2HG GLU 38 3.105 17.850 4.602
260 H ASN 39 H ASN 39 1.296 15.391 7.137
261 HA ASN 39 HA ASN 39 1.671 17.736 8.873
262 HB2 ASN 39 1HB ASN 39 -0.922 16.407 8.058
263 HB3 ASN 39 2HB ASN 39 -0.751 17.914 8.953
264 HD21 ASN 39 1HD2 ASN 39 -2.264 18.030 6.800
265 HD22 ASN 39 2HD2 ASN 39 -1.464 18.830 5.495
266 HA PRO 40 HA PRO 40 1.833 14.132 11.757
267 HB2 PRO 40 1HB PRO 40 3.733 15.224 13.360
268 HB3 PRO 40 2HB PRO 40 4.120 14.307 11.899
269 HG2 PRO 40 1HG PRO 40 3.999 17.272 12.298
270 HG3 PRO 40 2HG PRO 40 5.201 16.309 11.419
271 HD2 PRO 40 1HD PRO 40 3.210 17.650 10.167
272 HD3 PRO 40 2HD PRO 40 3.868 16.121 9.549
273 H SER 41 H SER 41 -0.330 14.840 12.352
274 HA SER 41 HA SER 41 -0.790 17.052 14.059
275 HB2 SER 41 1HB SER 41 -2.464 14.551 13.715
276 HB3 SER 41 2HB SER 41 -3.007 16.077 14.412
277 HG SER 41 HG SER 41 -1.947 16.600 12.040
278 H GLY 42 H GLY 42 -0.414 17.291 16.161
279 HA2 GLY 42 1HA GLY 42 -0.896 15.986 18.343
280 HA3 GLY 42 2HA GLY 42 0.340 14.908 17.712
281 HA PRO 43 HA PRO 43 2.052 18.816 19.962
282 HB2 PRO 43 1HB PRO 43 2.069 17.993 22.549
283 HB3 PRO 43 2HB PRO 43 0.726 18.895 21.837
284 HG2 PRO 43 1HG PRO 43 0.992 15.951 22.308
285 HG3 PRO 43 2HG PRO 43 -0.406 17.007 22.586
286 HD2 PRO 43 1HD PRO 43 -0.192 15.415 20.405
287 HD3 PRO 43 2HD PRO 43 -1.023 16.984 20.365
288 H SER 44 H SER 44 2.599 15.519 19.640
289 HA SER 44 HA SER 44 4.795 14.859 21.102
290 HB2 SER 44 1HB SER 44 3.563 13.544 19.222
291 HB3 SER 44 2HB SER 44 4.780 14.250 18.158
292 HG SER 44 HG SER 44 6.286 13.041 19.052
293 H SER 45 H SER 45 6.624 15.897 21.490
294 HA SER 45 HA SER 45 7.611 17.911 19.664
295 HB2 SER 45 1HB SER 45 9.362 18.249 21.431
296 HB3 SER 45 2HB SER 45 7.708 18.423 22.019
297 HG SER 45 HG SER 45 9.558 16.362 22.477
298 H GLY 46 H GLY 46 7.679 15.491 18.398
299 HA2 GLY 46 1HA GLY 46 10.548 15.180 17.969
300 HA3 GLY 46 2HA GLY 46 9.667 13.737 18.449
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 20.001 -10.243 -7.835
2 HA2 GLY 1 1HA GLY 1 17.959 -10.557 -9.888
3 HA3 GLY 1 2HA GLY 1 18.508 -12.038 -9.118
4 H SER 2 H SER 2 16.199 -9.691 -9.031
5 HA SER 2 HA SER 2 15.624 -10.223 -6.190
6 HB2 SER 2 1HB SER 2 14.439 -7.996 -6.193
7 HB3 SER 2 2HB SER 2 16.191 -7.898 -6.372
8 HG SER 2 HG SER 2 15.968 -7.324 -8.443
9 H SER 3 H SER 3 13.565 -10.807 -5.647
10 HA SER 3 HA SER 3 11.427 -10.680 -7.596
11 HB2 SER 3 1HB SER 3 12.431 -12.742 -8.311
12 HB3 SER 3 2HB SER 3 12.567 -13.316 -6.649
13 HG SER 3 HG SER 3 10.532 -13.610 -8.337
14 H GLY 4 H GLY 4 9.628 -10.156 -6.549
15 HA2 GLY 4 1HA GLY 4 9.037 -11.343 -3.957
16 HA3 GLY 4 2HA GLY 4 9.246 -9.598 -3.972
17 H SER 5 H SER 5 7.678 -11.806 -6.279
18 HA SER 5 HA SER 5 5.250 -10.158 -6.039
19 HB2 SER 5 1HB SER 5 6.425 -11.710 -8.334
20 HB3 SER 5 2HB SER 5 4.715 -11.279 -8.315
21 HG SER 5 HG SER 5 6.911 -9.713 -8.775
22 H SER 6 H SER 6 3.417 -11.051 -5.329
23 HA SER 6 HA SER 6 2.845 -13.848 -5.605
24 HB2 SER 6 1HB SER 6 4.244 -14.136 -3.704
25 HB3 SER 6 2HB SER 6 3.573 -12.716 -2.903
26 HG SER 6 HG SER 6 2.675 -14.583 -2.020
27 H GLY 7 H GLY 7 0.682 -14.318 -5.289
28 HA2 GLY 7 1HA GLY 7 -1.024 -11.960 -4.818
29 HA3 GLY 7 2HA GLY 7 -1.473 -13.349 -5.797
30 H THR 8 H THR 8 -1.837 -11.875 -2.832
31 HA THR 8 HA THR 8 -2.492 -14.382 -1.452
32 HB THR 8 HB THR 8 -2.655 -12.980 0.595
33 HG1 THR 8 HG1 THR 8 -2.966 -10.924 0.119
34 HG21 THR 8 3HG2 THR 8 -0.253 -13.492 -0.966
35 HG22 THR 8 1HG2 THR 8 -0.554 -13.738 0.753
36 HG23 THR 8 2HG2 THR 8 -0.051 -12.154 0.164
37 H LYS 9 H LYS 9 -3.858 -11.161 -2.106
38 HA LYS 9 HA LYS 9 -6.008 -10.488 -2.463
39 HB2 LYS 9 1HB LYS 9 -6.034 -12.882 -3.599
40 HB3 LYS 9 2HB LYS 9 -7.077 -13.266 -2.236
41 HG2 LYS 9 1HG LYS 9 -7.669 -10.839 -3.853
42 HG3 LYS 9 2HG LYS 9 -8.070 -12.427 -4.510
43 HD2 LYS 9 1HD LYS 9 -9.308 -12.901 -2.389
44 HD3 LYS 9 2HD LYS 9 -9.033 -11.222 -1.918
45 HE2 LYS 9 1HE LYS 9 -10.325 -11.925 -4.533
46 HE3 LYS 9 2HE LYS 9 -11.264 -11.823 -3.045
47 HZ1 LYS 9 3HZ LYS 9 -10.326 -9.730 -4.703
48 HZ2 LYS 9 1HZ LYS 9 -9.718 -9.537 -3.136
49 HZ3 LYS 9 2HZ LYS 9 -11.387 -9.652 -3.387
50 H GLU 10 H GLU 10 -5.080 -10.246 0.044
51 HA GLU 10 HA GLU 10 -6.867 -11.468 1.950
52 HB2 GLU 10 1HB GLU 10 -4.566 -9.565 2.102
53 HB3 GLU 10 2HB GLU 10 -5.669 -9.677 3.466
54 HG2 GLU 10 1HG GLU 10 -5.236 -12.093 3.593
55 HG3 GLU 10 2HG GLU 10 -4.085 -11.937 2.267
56 H HIS 11 H HIS 11 -6.575 -8.415 0.272
57 HA HIS 11 HA HIS 11 -9.279 -7.724 0.818
58 HB2 HIS 11 1HB HIS 11 -7.113 -6.456 2.433
59 HB3 HIS 11 2HB HIS 11 -8.456 -5.448 1.901
60 HD1 HIS 11 HD1 HIS 11 -10.895 -6.952 2.406
61 HD2 HIS 11 HD2 HIS 11 -7.617 -7.307 4.935
62 HE1 HIS 11 HE1 HIS 11 -11.817 -7.801 4.587
63 HA PRO 12 HA PRO 12 -8.744 -5.314 -2.807
64 HB2 PRO 12 1HB PRO 12 -10.488 -3.272 -2.410
65 HB3 PRO 12 2HB PRO 12 -11.007 -4.923 -2.765
66 HG2 PRO 12 1HG PRO 12 -10.848 -3.513 -0.130
67 HG3 PRO 12 2HG PRO 12 -12.127 -4.569 -0.758
68 HD2 PRO 12 1HD PRO 12 -10.257 -5.433 1.000
69 HD3 PRO 12 2HD PRO 12 -10.970 -6.493 -0.233
70 H PHE 13 H PHE 13 -7.944 -4.037 0.245
71 HA PHE 13 HA PHE 13 -6.497 -1.813 -1.035
72 HB2 PHE 13 1HB PHE 13 -7.637 -1.835 1.767
73 HB3 PHE 13 2HB PHE 13 -6.789 -0.499 0.996
74 HD1 PHE 13 HD2 PHE 13 -7.844 0.594 -1.018
75 HD2 PHE 13 HD1 PHE 13 -9.942 -2.117 1.505
76 HE1 PHE 13 HE2 PHE 13 -9.982 1.453 -1.879
77 HE2 PHE 13 HE1 PHE 13 -12.084 -1.264 0.647
78 HZ PHE 13 HZ PHE 13 -12.106 0.524 -1.046
79 H LYS 14 H LYS 14 -4.479 -2.611 -1.196
80 HA LYS 14 HA LYS 14 -3.235 -3.652 1.265
81 HB2 LYS 14 1HB LYS 14 -3.298 -5.475 -0.234
82 HB3 LYS 14 2HB LYS 14 -2.859 -4.468 -1.607
83 HG2 LYS 14 1HG LYS 14 -0.893 -5.573 -1.215
84 HG3 LYS 14 2HG LYS 14 -0.649 -4.103 -0.268
85 HD2 LYS 14 1HD LYS 14 -0.826 -5.197 1.726
86 HD3 LYS 14 2HD LYS 14 -1.935 -6.412 1.086
87 HE2 LYS 14 1HE LYS 14 0.912 -6.335 0.171
88 HE3 LYS 14 2HE LYS 14 0.497 -7.086 1.711
89 HZ1 LYS 14 3HZ LYS 14 -0.295 -8.866 0.674
90 HZ2 LYS 14 1HZ LYS 14 0.388 -8.267 -0.754
91 HZ3 LYS 14 2HZ LYS 14 -1.232 -7.943 -0.390
92 H CYS 15 H CYS 15 -1.945 -2.148 2.093
93 HA CYS 15 HA CYS 15 -0.924 0.062 0.692
94 HB2 CYS 15 1HB CYS 15 -1.242 -0.137 3.192
95 HB3 CYS 15 2HB CYS 15 0.229 -1.104 3.229
96 H ASN 16 H ASN 16 0.488 -0.051 -0.923
97 HA ASN 16 HA ASN 16 2.324 -2.206 -1.251
98 HB2 ASN 16 1HB ASN 16 2.460 0.447 -2.680
99 HB3 ASN 16 2HB ASN 16 3.000 -1.128 -3.256
100 HD21 ASN 16 1HD2 ASN 16 0.311 0.988 -2.793
101 HD22 ASN 16 2HD2 ASN 16 -0.844 0.058 -3.680
102 H GLU 17 H GLU 17 2.433 0.802 0.398
103 HA GLU 17 HA GLU 17 5.188 1.344 0.316
104 HB2 GLU 17 1HB GLU 17 3.332 1.934 2.623
105 HB3 GLU 17 2HB GLU 17 4.816 2.780 2.207
106 HG2 GLU 17 1HG GLU 17 3.600 3.287 -0.026
107 HG3 GLU 17 2HG GLU 17 2.144 2.890 0.883
108 H CYS 18 H CYS 18 3.260 -0.440 2.717
109 HA CYS 18 HA CYS 18 5.765 -1.645 3.697
110 HB2 CYS 18 1HB CYS 18 4.644 -1.951 5.860
111 HB3 CYS 18 2HB CYS 18 4.678 -0.253 5.396
112 H GLY 19 H GLY 19 2.381 -2.217 2.875
113 HA2 GLY 19 1HA GLY 19 1.994 -4.291 1.572
114 HA3 GLY 19 2HA GLY 19 2.995 -5.107 2.764
115 H LYS 20 H LYS 20 1.020 -2.737 4.142
116 HA LYS 20 HA LYS 20 -0.460 -4.633 5.641
117 HB2 LYS 20 1HB LYS 20 -0.398 -1.670 5.401
118 HB3 LYS 20 2HB LYS 20 -1.843 -2.388 6.099
119 HG2 LYS 20 1HG LYS 20 -0.044 -3.693 7.542
120 HG3 LYS 20 2HG LYS 20 0.921 -2.266 7.158
121 HD2 LYS 20 1HD LYS 20 -0.718 -0.816 8.132
122 HD3 LYS 20 2HD LYS 20 -1.854 -2.152 8.332
123 HE2 LYS 20 1HE LYS 20 -0.699 -3.042 10.113
124 HE3 LYS 20 2HE LYS 20 0.833 -2.326 9.615
125 HZ1 LYS 20 3HZ LYS 20 0.456 -0.688 11.033
126 HZ2 LYS 20 1HZ LYS 20 -1.053 -1.331 11.447
127 HZ3 LYS 20 2HZ LYS 20 -0.923 -0.238 10.163
128 H THR 21 H THR 21 -2.865 -4.642 5.768
129 HA THR 21 HA THR 21 -4.142 -4.195 3.159
130 HB THR 21 HB THR 21 -5.321 -6.327 3.307
131 HG1 THR 21 HG1 THR 21 -5.384 -7.295 5.179
132 HG21 THR 21 3HG2 THR 21 -3.594 -6.979 2.044
133 HG22 THR 21 1HG2 THR 21 -2.929 -7.708 3.505
134 HG23 THR 21 2HG2 THR 21 -2.438 -6.082 3.028
135 H PHE 22 H PHE 22 -6.310 -3.651 3.217
136 HA PHE 22 HA PHE 22 -7.638 -3.526 5.818
137 HB2 PHE 22 1HB PHE 22 -7.670 -1.116 4.017
138 HB3 PHE 22 2HB PHE 22 -8.124 -1.225 5.715
139 HD1 PHE 22 HD2 PHE 22 -5.220 -1.405 3.416
140 HD2 PHE 22 HD1 PHE 22 -6.584 -0.736 7.392
141 HE1 PHE 22 HE2 PHE 22 -2.965 -0.664 4.061
142 HE2 PHE 22 HE1 PHE 22 -4.331 0.008 8.044
143 HZ PHE 22 HZ PHE 22 -2.517 0.043 6.378
144 H SER 23 H SER 23 -9.856 -3.665 5.732
145 HA SER 23 HA SER 23 -10.956 -4.748 3.317
146 HB2 SER 23 1HB SER 23 -13.025 -4.998 4.636
147 HB3 SER 23 2HB SER 23 -11.626 -5.625 5.507
148 HG SER 23 HG SER 23 -11.660 -3.259 6.340
149 H HIS 24 H HIS 24 -10.525 -1.630 4.451
150 HA HIS 24 HA HIS 24 -12.463 -0.609 2.505
151 HB2 HIS 24 1HB HIS 24 -12.367 -0.013 5.418
152 HB3 HIS 24 2HB HIS 24 -12.698 1.332 4.330
153 HD1 HIS 24 HD1 HIS 24 -14.332 -1.366 6.085
154 HD2 HIS 24 HD2 HIS 24 -15.026 0.767 2.588
155 HE1 HIS 24 HE1 HIS 24 -16.749 -1.768 5.520
156 H SER 25 H SER 25 -11.981 1.527 1.721
157 HA SER 25 HA SER 25 -9.207 1.932 1.287
158 HB2 SER 25 1HB SER 25 -9.842 3.751 -0.108
159 HB3 SER 25 2HB SER 25 -11.114 2.543 -0.289
160 HG SER 25 HG SER 25 -11.223 5.071 0.782
161 H ALA 26 H ALA 26 -11.631 3.930 2.976
162 HA ALA 26 HA ALA 26 -10.244 6.010 3.906
163 HB1 ALA 26 3HB ALA 26 -12.546 5.608 4.549
164 HB2 ALA 26 1HB ALA 26 -12.045 4.281 5.598
165 HB3 ALA 26 2HB ALA 26 -11.567 5.936 5.979
166 H HIS 27 H HIS 27 -9.925 2.715 5.136
167 HA HIS 27 HA HIS 27 -8.177 3.335 7.273
168 HB2 HIS 27 1HB HIS 27 -8.475 0.739 5.748
169 HB3 HIS 27 2HB HIS 27 -7.688 0.927 7.312
170 HD1 HIS 27 HD1 HIS 27 -10.544 -0.536 6.232
171 HD2 HIS 27 HD2 HIS 27 -9.934 2.537 8.961
172 HE1 HIS 27 HE1 HIS 27 -12.593 -0.515 7.691
173 H LEU 28 H LEU 28 -7.558 2.096 3.994
174 HA LEU 28 HA LEU 28 -4.764 2.002 4.195
175 HB2 LEU 28 1HB LEU 28 -5.864 0.855 2.418
176 HB3 LEU 28 2HB LEU 28 -6.589 2.349 1.827
177 HG LEU 28 HG LEU 28 -4.374 3.141 1.132
178 HD11 LEU 28 1HD1 LEU 28 -3.498 0.964 2.780
179 HD12 LEU 28 2HD1 LEU 28 -2.558 2.268 2.056
180 HD13 LEU 28 3HD1 LEU 28 -2.855 0.786 1.147
181 HD21 LEU 28 3HD2 LEU 28 -4.217 1.834 -0.806
182 HD22 LEU 28 1HD2 LEU 28 -5.906 1.698 -0.314
183 HD23 LEU 28 2HD2 LEU 28 -4.782 0.381 0.021
184 H SER 29 H SER 29 -6.707 4.439 2.453
185 HA SER 29 HA SER 29 -4.762 6.253 1.860
186 HB2 SER 29 1HB SER 29 -7.009 6.602 1.078
187 HB3 SER 29 2HB SER 29 -7.613 6.775 2.726
188 HG SER 29 HG SER 29 -5.588 8.509 1.925
189 H LYS 30 H LYS 30 -6.513 5.969 4.927
190 HA LYS 30 HA LYS 30 -5.267 8.194 6.170
191 HB2 LYS 30 1HB LYS 30 -7.432 6.960 6.838
192 HB3 LYS 30 2HB LYS 30 -6.370 5.822 7.655
193 HG2 LYS 30 1HG LYS 30 -5.459 7.650 9.006
194 HG3 LYS 30 2HG LYS 30 -6.549 8.779 8.197
195 HD2 LYS 30 1HD LYS 30 -7.735 8.296 10.112
196 HD3 LYS 30 2HD LYS 30 -8.396 7.106 8.988
197 HE2 LYS 30 1HE LYS 30 -6.022 6.393 10.650
198 HE3 LYS 30 2HE LYS 30 -7.622 6.398 11.391
199 HZ1 LYS 30 3HZ LYS 30 -7.762 4.330 10.605
200 HZ2 LYS 30 1HZ LYS 30 -6.469 4.532 9.532
201 HZ3 LYS 30 2HZ LYS 30 -8.022 5.036 9.090
202 H HIS 31 H HIS 31 -4.591 4.719 6.175
203 HA HIS 31 HA HIS 31 -2.424 4.887 8.016
204 HB2 HIS 31 1HB HIS 31 -3.318 2.751 7.924
205 HB3 HIS 31 2HB HIS 31 -3.490 2.786 6.172
206 HD1 HIS 31 HD1 HIS 31 -1.016 2.066 8.881
207 HD2 HIS 31 HD2 HIS 31 -1.237 1.963 4.734
208 HE1 HIS 31 HE1 HIS 31 1.027 0.805 8.130
209 H GLN 32 H GLN 32 -2.747 5.722 4.756
210 HA GLN 32 HA GLN 32 -0.044 5.179 3.950
211 HB2 GLN 32 1HB GLN 32 -2.312 6.730 2.720
212 HB3 GLN 32 2HB GLN 32 -0.708 6.708 2.000
213 HG2 GLN 32 1HG GLN 32 -1.044 4.092 2.243
214 HG3 GLN 32 2HG GLN 32 -2.742 4.563 2.176
215 HE21 GLN 32 1HE2 GLN 32 -0.068 3.753 0.383
216 HE22 GLN 32 2HE2 GLN 32 -0.584 4.339 -1.158
217 H LEU 33 H LEU 33 -1.811 7.909 5.258
218 HA LEU 33 HA LEU 33 0.032 9.944 4.734
219 HB2 LEU 33 1HB LEU 33 -1.820 9.627 7.091
220 HB3 LEU 33 2HB LEU 33 -1.004 11.120 6.632
221 HG LEU 33 HG LEU 33 -2.895 9.738 4.754
222 HD11 LEU 33 1HD1 LEU 33 -4.157 10.048 6.782
223 HD12 LEU 33 2HD1 LEU 33 -4.654 11.254 5.595
224 HD13 LEU 33 3HD1 LEU 33 -3.589 11.712 6.924
225 HD21 LEU 33 3HD2 LEU 33 -1.400 12.248 4.853
226 HD22 LEU 33 1HD2 LEU 33 -3.102 12.445 4.434
227 HD23 LEU 33 2HD2 LEU 33 -2.074 11.380 3.473
228 H ILE 34 H ILE 34 0.182 7.304 6.918
229 HA ILE 34 HA ILE 34 2.004 8.440 8.794
230 HB ILE 34 HB ILE 34 2.110 6.362 9.802
231 HG12 ILE 34 1HG1 ILE 34 1.718 5.242 7.036
232 HG13 ILE 34 2HG1 ILE 34 3.068 4.996 8.138
233 HG21 ILE 34 1HG2 ILE 34 -0.459 5.987 8.296
234 HG22 ILE 34 2HG2 ILE 34 -0.094 5.587 9.974
235 HG23 ILE 34 3HG2 ILE 34 -0.253 7.274 9.484
236 HD11 ILE 34 3HD1 ILE 34 1.609 3.676 9.600
237 HD12 ILE 34 1HD1 ILE 34 0.288 3.891 8.452
238 HD13 ILE 34 2HD1 ILE 34 1.731 2.995 7.978
239 H HIS 35 H HIS 35 2.324 6.838 5.717
240 HA HIS 35 HA HIS 35 5.133 6.306 5.973
241 HB2 HIS 35 1HB HIS 35 3.179 6.198 3.688
242 HB3 HIS 35 2HB HIS 35 4.905 5.976 3.422
243 HD1 HIS 35 HD1 HIS 35 5.909 4.033 5.238
244 HD2 HIS 35 HD2 HIS 35 1.939 3.834 4.030
245 HE1 HIS 35 HE1 HIS 35 5.191 1.663 5.675
246 H ALA 36 H ALA 36 3.154 8.899 4.704
247 HA ALA 36 HA ALA 36 5.381 10.252 3.457
248 HB1 ALA 36 3HB ALA 36 2.544 10.422 3.332
249 HB2 ALA 36 1HB ALA 36 3.185 12.010 3.754
250 HB3 ALA 36 2HB ALA 36 3.744 11.192 2.295
251 H GLY 37 H GLY 37 5.237 12.827 4.038
252 HA2 GLY 37 1HA GLY 37 5.779 14.451 5.572
253 HA3 GLY 37 2HA GLY 37 4.939 13.487 6.778
254 H GLU 38 H GLU 38 7.774 12.623 4.835
255 HA GLU 38 HA GLU 38 9.551 12.923 7.093
256 HB2 GLU 38 1HB GLU 38 10.254 10.550 7.093
257 HB3 GLU 38 2HB GLU 38 8.591 10.765 7.620
258 HG2 GLU 38 1HG GLU 38 7.816 10.115 5.382
259 HG3 GLU 38 2HG GLU 38 9.490 9.849 4.898
260 H ASN 39 H ASN 39 11.490 13.518 6.378
261 HA ASN 39 HA ASN 39 12.571 12.460 3.910
262 HB2 ASN 39 1HB ASN 39 13.043 14.829 3.073
263 HB3 ASN 39 2HB ASN 39 11.389 14.247 2.911
264 HD21 ASN 39 1HD2 ASN 39 10.486 16.272 2.881
265 HD22 ASN 39 2HD2 ASN 39 10.429 17.296 4.271
266 HA PRO 40 HA PRO 40 16.299 12.892 6.210
267 HB2 PRO 40 1HB PRO 40 18.086 12.762 4.170
268 HB3 PRO 40 2HB PRO 40 17.196 11.353 4.758
269 HG2 PRO 40 1HG PRO 40 16.645 13.082 2.378
270 HG3 PRO 40 2HG PRO 40 16.578 11.316 2.517
271 HD2 PRO 40 1HD PRO 40 14.361 12.869 2.598
272 HD3 PRO 40 2HD PRO 40 14.495 11.347 3.502
273 H SER 41 H SER 41 15.182 15.198 3.994
274 HA SER 41 HA SER 41 17.317 17.075 4.775
275 HB2 SER 41 1HB SER 41 17.411 16.768 2.398
276 HB3 SER 41 2HB SER 41 15.664 16.959 2.246
277 HG SER 41 HG SER 41 15.955 19.028 2.139
278 H GLY 42 H GLY 42 16.725 19.207 5.320
279 HA2 GLY 42 1HA GLY 42 14.352 19.439 6.827
280 HA3 GLY 42 2HA GLY 42 15.431 20.761 6.407
281 HA PRO 43 HA PRO 43 11.349 21.430 4.289
282 HB2 PRO 43 1HB PRO 43 11.097 24.020 5.062
283 HB3 PRO 43 2HB PRO 43 10.534 22.665 6.048
284 HG2 PRO 43 1HG PRO 43 13.063 24.251 6.276
285 HG3 PRO 43 2HG PRO 43 11.972 23.694 7.558
286 HD2 PRO 43 1HD PRO 43 14.290 22.426 6.965
287 HD3 PRO 43 2HD PRO 43 12.855 21.565 7.558
288 H SER 44 H SER 44 12.632 21.225 2.346
289 HA SER 44 HA SER 44 14.176 23.478 1.428
290 HB2 SER 44 1HB SER 44 14.910 21.280 0.762
291 HB3 SER 44 2HB SER 44 13.330 20.909 0.072
292 HG SER 44 HG SER 44 15.323 22.655 -0.884
293 H SER 45 H SER 45 13.592 25.031 0.001
294 HA SER 45 HA SER 45 10.970 25.841 -0.250
295 HB2 SER 45 1HB SER 45 13.399 26.417 -1.940
296 HB3 SER 45 2HB SER 45 11.837 27.162 -2.280
297 HG SER 45 HG SER 45 12.821 27.269 0.335
298 H GLY 46 H GLY 46 9.864 26.191 -2.477
299 HA2 GLY 46 1HA GLY 46 8.634 25.203 -4.145
300 HA3 GLY 46 2HA GLY 46 10.151 24.447 -4.611
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 8.691 -26.680 -9.669
2 HA2 GLY 1 1HA GLY 1 10.594 -25.013 -10.502
3 HA3 GLY 1 2HA GLY 1 9.603 -25.114 -11.949
4 H SER 2 H SER 2 10.189 -22.842 -10.142
5 HA SER 2 HA SER 2 7.756 -22.278 -8.726
6 HB2 SER 2 1HB SER 2 8.758 -20.101 -8.270
7 HB3 SER 2 2HB SER 2 9.948 -21.373 -8.002
8 HG SER 2 HG SER 2 10.668 -19.491 -9.248
9 H SER 3 H SER 3 6.110 -20.895 -9.291
10 HA SER 3 HA SER 3 5.928 -20.279 -12.151
11 HB2 SER 3 1HB SER 3 3.510 -20.094 -11.774
12 HB3 SER 3 2HB SER 3 4.115 -21.643 -11.187
13 HG SER 3 HG SER 3 3.047 -21.025 -9.461
14 H GLY 4 H GLY 4 5.375 -18.798 -8.968
15 HA2 GLY 4 1HA GLY 4 6.336 -16.262 -9.865
16 HA3 GLY 4 2HA GLY 4 4.584 -16.270 -9.726
17 H SER 5 H SER 5 5.744 -14.495 -8.189
18 HA SER 5 HA SER 5 6.090 -15.711 -5.537
19 HB2 SER 5 1HB SER 5 6.991 -13.444 -4.904
20 HB3 SER 5 2HB SER 5 7.939 -14.292 -6.125
21 HG SER 5 HG SER 5 6.131 -12.145 -6.488
22 H SER 6 H SER 6 3.915 -16.049 -5.045
23 HA SER 6 HA SER 6 2.096 -13.778 -5.073
24 HB2 SER 6 1HB SER 6 1.274 -15.988 -5.794
25 HB3 SER 6 2HB SER 6 1.633 -16.640 -4.196
26 HG SER 6 HG SER 6 0.165 -14.903 -3.430
27 H GLY 7 H GLY 7 1.225 -12.802 -3.273
28 HA2 GLY 7 1HA GLY 7 2.655 -13.350 -0.755
29 HA3 GLY 7 2HA GLY 7 1.936 -11.808 -1.196
30 H THR 8 H THR 8 1.207 -12.355 1.159
31 HA THR 8 HA THR 8 -1.271 -13.933 1.091
32 HB THR 8 HB THR 8 -1.184 -13.896 3.548
33 HG1 THR 8 HG1 THR 8 0.926 -12.138 3.027
34 HG21 THR 8 3HG2 THR 8 0.307 -15.613 3.698
35 HG22 THR 8 1HG2 THR 8 1.568 -14.741 2.828
36 HG23 THR 8 2HG2 THR 8 0.237 -15.485 1.941
37 H LYS 9 H LYS 9 -3.040 -12.784 0.697
38 HA LYS 9 HA LYS 9 -3.845 -10.630 2.337
39 HB2 LYS 9 1HB LYS 9 -3.761 -8.782 0.833
40 HB3 LYS 9 2HB LYS 9 -2.149 -9.482 0.874
41 HG2 LYS 9 1HG LYS 9 -4.184 -10.059 -1.266
42 HG3 LYS 9 2HG LYS 9 -2.927 -8.826 -1.392
43 HD2 LYS 9 1HD LYS 9 -1.319 -10.789 -0.819
44 HD3 LYS 9 2HD LYS 9 -2.664 -11.808 -1.337
45 HE2 LYS 9 1HE LYS 9 -2.605 -10.976 -3.518
46 HE3 LYS 9 2HE LYS 9 -1.683 -9.549 -3.048
47 HZ1 LYS 9 3HZ LYS 9 -0.753 -12.283 -3.544
48 HZ2 LYS 9 1HZ LYS 9 0.077 -11.354 -2.400
49 HZ3 LYS 9 2HZ LYS 9 -0.057 -10.809 -3.995
50 H GLU 10 H GLU 10 -6.019 -10.319 2.208
51 HA GLU 10 HA GLU 10 -7.439 -11.490 -0.083
52 HB2 GLU 10 1HB GLU 10 -9.086 -12.495 1.403
53 HB3 GLU 10 2HB GLU 10 -7.480 -13.111 1.765
54 HG2 GLU 10 1HG GLU 10 -8.453 -10.774 3.310
55 HG3 GLU 10 2HG GLU 10 -9.154 -12.353 3.659
56 H HIS 11 H HIS 11 -6.759 -8.725 1.121
57 HA HIS 11 HA HIS 11 -9.505 -7.683 1.280
58 HB2 HIS 11 1HB HIS 11 -6.922 -6.347 2.115
59 HB3 HIS 11 2HB HIS 11 -8.546 -5.708 2.350
60 HD1 HIS 11 HD1 HIS 11 -6.753 -6.089 4.773
61 HD2 HIS 11 HD2 HIS 11 -9.373 -8.999 3.386
62 HE1 HIS 11 HE1 HIS 11 -7.212 -7.577 6.748
63 HA PRO 12 HA PRO 12 -9.118 -5.741 -2.643
64 HB2 PRO 12 1HB PRO 12 -10.790 -3.631 -2.295
65 HB3 PRO 12 2HB PRO 12 -11.366 -5.291 -2.487
66 HG2 PRO 12 1HG PRO 12 -11.004 -3.689 0.016
67 HG3 PRO 12 2HG PRO 12 -12.343 -4.756 -0.446
68 HD2 PRO 12 1HD PRO 12 -10.380 -5.531 1.251
69 HD3 PRO 12 2HD PRO 12 -11.194 -6.663 0.152
70 H PHE 13 H PHE 13 -8.101 -4.251 0.245
71 HA PHE 13 HA PHE 13 -6.627 -2.226 -1.301
72 HB2 PHE 13 1HB PHE 13 -7.708 -1.823 1.493
73 HB3 PHE 13 2HB PHE 13 -6.882 -0.629 0.497
74 HD1 PHE 13 HD2 PHE 13 -8.004 0.185 -1.598
75 HD2 PHE 13 HD1 PHE 13 -10.024 -2.144 1.337
76 HE1 PHE 13 HE2 PHE 13 -10.169 0.927 -2.503
77 HE2 PHE 13 HE1 PHE 13 -12.191 -1.407 0.436
78 HZ PHE 13 HZ PHE 13 -12.266 0.132 -1.485
79 H LYS 14 H LYS 14 -4.497 -2.375 -1.098
80 HA LYS 14 HA LYS 14 -3.365 -3.475 1.375
81 HB2 LYS 14 1HB LYS 14 -3.439 -5.312 -0.239
82 HB3 LYS 14 2HB LYS 14 -2.592 -4.325 -1.423
83 HG2 LYS 14 1HG LYS 14 -0.802 -4.187 0.526
84 HG3 LYS 14 2HG LYS 14 -1.560 -5.715 0.982
85 HD2 LYS 14 1HD LYS 14 -1.242 -6.365 -1.489
86 HD3 LYS 14 2HD LYS 14 -0.114 -5.009 -1.551
87 HE2 LYS 14 1HE LYS 14 1.353 -6.004 -0.044
88 HE3 LYS 14 2HE LYS 14 0.119 -7.093 0.587
89 HZ1 LYS 14 3HZ LYS 14 1.909 -7.459 -1.611
90 HZ2 LYS 14 1HZ LYS 14 0.301 -7.743 -2.056
91 HZ3 LYS 14 2HZ LYS 14 0.988 -8.603 -0.771
92 H CYS 15 H CYS 15 -1.791 -2.240 2.162
93 HA CYS 15 HA CYS 15 -0.957 0.125 0.845
94 HB2 CYS 15 1HB CYS 15 -1.082 -0.133 3.316
95 HB3 CYS 15 2HB CYS 15 0.298 -1.224 3.245
96 H ASN 16 H ASN 16 0.492 0.322 -0.717
97 HA ASN 16 HA ASN 16 2.284 -1.842 -1.363
98 HB2 ASN 16 1HB ASN 16 1.042 -0.257 -3.001
99 HB3 ASN 16 2HB ASN 16 2.350 0.871 -2.658
100 HD21 ASN 16 1HD2 ASN 16 3.744 0.859 -4.256
101 HD22 ASN 16 2HD2 ASN 16 4.329 -0.536 -5.091
102 H GLU 17 H GLU 17 2.411 0.899 0.615
103 HA GLU 17 HA GLU 17 5.188 1.510 0.337
104 HB2 GLU 17 1HB GLU 17 3.486 2.120 2.748
105 HB3 GLU 17 2HB GLU 17 4.894 2.996 2.164
106 HG2 GLU 17 1HG GLU 17 3.547 3.556 0.110
107 HG3 GLU 17 2HG GLU 17 2.145 2.908 0.960
108 H CYS 18 H CYS 18 3.279 -0.488 2.535
109 HA CYS 18 HA CYS 18 5.795 -1.629 3.559
110 HB2 CYS 18 1HB CYS 18 4.650 -2.037 5.701
111 HB3 CYS 18 2HB CYS 18 4.703 -0.322 5.309
112 H GLY 19 H GLY 19 2.382 -2.230 2.826
113 HA2 GLY 19 1HA GLY 19 1.996 -4.242 1.416
114 HA3 GLY 19 2HA GLY 19 3.056 -5.093 2.530
115 H LYS 20 H LYS 20 1.037 -2.817 4.037
116 HA LYS 20 HA LYS 20 -0.331 -4.819 5.517
117 HB2 LYS 20 1HB LYS 20 -0.358 -1.847 5.397
118 HB3 LYS 20 2HB LYS 20 -1.756 -2.637 6.115
119 HG2 LYS 20 1HG LYS 20 0.013 -3.928 7.508
120 HG3 LYS 20 2HG LYS 20 1.080 -2.600 7.044
121 HD2 LYS 20 1HD LYS 20 -0.400 -0.990 8.043
122 HD3 LYS 20 2HD LYS 20 -1.611 -2.234 8.358
123 HE2 LYS 20 1HE LYS 20 0.338 -3.359 9.697
124 HE3 LYS 20 2HE LYS 20 0.993 -1.723 9.725
125 HZ1 LYS 20 3HZ LYS 20 -1.065 -2.824 11.305
126 HZ2 LYS 20 1HZ LYS 20 -1.691 -1.534 10.407
127 HZ3 LYS 20 2HZ LYS 20 -0.352 -1.294 11.412
128 H THR 21 H THR 21 -2.854 -4.432 5.791
129 HA THR 21 HA THR 21 -4.162 -4.092 3.205
130 HB THR 21 HB THR 21 -5.385 -6.217 3.393
131 HG1 THR 21 HG1 THR 21 -3.560 -7.152 5.311
132 HG21 THR 21 3HG2 THR 21 -3.526 -7.727 2.815
133 HG22 THR 21 1HG2 THR 21 -2.381 -6.534 3.426
134 HG23 THR 21 2HG2 THR 21 -3.376 -6.160 2.019
135 H PHE 22 H PHE 22 -6.273 -3.431 3.342
136 HA PHE 22 HA PHE 22 -7.540 -3.370 5.981
137 HB2 PHE 22 1HB PHE 22 -7.457 -0.934 4.199
138 HB3 PHE 22 2HB PHE 22 -8.073 -1.040 5.845
139 HD1 PHE 22 HD2 PHE 22 -4.961 -1.342 3.842
140 HD2 PHE 22 HD1 PHE 22 -6.694 -0.561 7.651
141 HE1 PHE 22 HE2 PHE 22 -2.756 -0.674 4.704
142 HE2 PHE 22 HE1 PHE 22 -4.491 0.110 8.519
143 HZ PHE 22 HZ PHE 22 -2.519 0.053 7.045
144 H SER 23 H SER 23 -9.736 -3.567 5.956
145 HA SER 23 HA SER 23 -10.974 -4.737 3.747
146 HB2 SER 23 1HB SER 23 -13.038 -4.578 4.995
147 HB3 SER 23 2HB SER 23 -11.733 -4.941 6.126
148 HG SER 23 HG SER 23 -12.115 -3.123 7.098
149 H HIS 24 H HIS 24 -11.260 -1.419 4.996
150 HA HIS 24 HA HIS 24 -12.571 -0.647 2.481
151 HB2 HIS 24 1HB HIS 24 -12.712 0.364 5.275
152 HB3 HIS 24 2HB HIS 24 -12.885 1.545 3.981
153 HD1 HIS 24 HD1 HIS 24 -14.656 -1.216 5.699
154 HD2 HIS 24 HD2 HIS 24 -15.199 1.199 2.362
155 HE1 HIS 24 HE1 HIS 24 -17.060 -1.524 5.030
156 H SER 25 H SER 25 -11.976 1.453 1.554
157 HA SER 25 HA SER 25 -9.160 1.665 1.237
158 HB2 SER 25 1HB SER 25 -10.913 2.208 -0.512
159 HB3 SER 25 2HB SER 25 -11.214 3.706 0.369
160 HG SER 25 HG SER 25 -8.563 3.177 -0.202
161 H ALA 26 H ALA 26 -11.573 3.866 2.661
162 HA ALA 26 HA ALA 26 -10.165 5.994 3.446
163 HB1 ALA 26 3HB ALA 26 -12.493 5.680 4.058
164 HB2 ALA 26 1HB ALA 26 -12.037 4.452 5.239
165 HB3 ALA 26 2HB ALA 26 -11.543 6.129 5.474
166 H HIS 27 H HIS 27 -10.008 2.834 5.039
167 HA HIS 27 HA HIS 27 -8.286 3.591 7.135
168 HB2 HIS 27 1HB HIS 27 -8.615 0.886 5.820
169 HB3 HIS 27 2HB HIS 27 -7.834 1.178 7.372
170 HD1 HIS 27 HD1 HIS 27 -10.752 -0.244 6.332
171 HD2 HIS 27 HD2 HIS 27 -10.014 2.917 8.924
172 HE1 HIS 27 HE1 HIS 27 -12.801 -0.070 7.780
173 H LEU 28 H LEU 28 -7.600 2.096 3.980
174 HA LEU 28 HA LEU 28 -4.821 1.932 4.266
175 HB2 LEU 28 1HB LEU 28 -5.840 0.716 2.518
176 HB3 LEU 28 2HB LEU 28 -6.603 2.161 1.858
177 HG LEU 28 HG LEU 28 -4.389 2.979 1.149
178 HD11 LEU 28 1HD1 LEU 28 -2.433 1.670 1.322
179 HD12 LEU 28 2HD1 LEU 28 -3.330 0.266 1.898
180 HD13 LEU 28 3HD1 LEU 28 -3.153 1.684 2.932
181 HD21 LEU 28 3HD2 LEU 28 -4.848 0.188 0.124
182 HD22 LEU 28 1HD2 LEU 28 -4.187 1.575 -0.742
183 HD23 LEU 28 2HD2 LEU 28 -5.892 1.548 -0.292
184 H SER 29 H SER 29 -6.705 4.386 2.485
185 HA SER 29 HA SER 29 -4.631 6.088 1.831
186 HB2 SER 29 1HB SER 29 -6.308 7.837 1.589
187 HB3 SER 29 2HB SER 29 -6.962 6.309 1.001
188 HG SER 29 HG SER 29 -7.402 7.310 3.618
189 H LYS 30 H LYS 30 -6.317 5.720 4.872
190 HA LYS 30 HA LYS 30 -5.215 8.088 6.064
191 HB2 LYS 30 1HB LYS 30 -7.391 6.816 6.689
192 HB3 LYS 30 2HB LYS 30 -6.326 5.767 7.615
193 HG2 LYS 30 1HG LYS 30 -5.581 7.624 8.954
194 HG3 LYS 30 2HG LYS 30 -6.511 8.752 7.964
195 HD2 LYS 30 1HD LYS 30 -8.570 7.881 8.738
196 HD3 LYS 30 2HD LYS 30 -7.787 6.471 9.456
197 HE2 LYS 30 1HE LYS 30 -8.137 7.762 11.320
198 HE3 LYS 30 2HE LYS 30 -6.515 8.281 10.862
199 HZ1 LYS 30 3HZ LYS 30 -8.951 9.784 10.944
200 HZ2 LYS 30 1HZ LYS 30 -8.151 9.942 9.461
201 HZ3 LYS 30 2HZ LYS 30 -7.349 10.328 10.899
202 H HIS 31 H HIS 31 -4.504 4.624 6.176
203 HA HIS 31 HA HIS 31 -2.408 4.857 8.092
204 HB2 HIS 31 1HB HIS 31 -3.255 2.709 8.030
205 HB3 HIS 31 2HB HIS 31 -3.406 2.705 6.275
206 HD1 HIS 31 HD1 HIS 31 -0.962 2.058 9.028
207 HD2 HIS 31 HD2 HIS 31 -1.122 1.886 4.880
208 HE1 HIS 31 HE1 HIS 31 1.103 0.806 8.326
209 H GLN 32 H GLN 32 -2.623 5.613 4.803
210 HA GLN 32 HA GLN 32 0.115 5.082 4.110
211 HB2 GLN 32 1HB GLN 32 -2.142 6.541 2.760
212 HB3 GLN 32 2HB GLN 32 -0.510 6.578 2.106
213 HG2 GLN 32 1HG GLN 32 -0.745 3.955 2.372
214 HG3 GLN 32 2HG GLN 32 -2.457 4.350 2.234
215 HE21 GLN 32 1HE2 GLN 32 0.214 3.502 0.537
216 HE22 GLN 32 2HE2 GLN 32 -0.227 4.096 -1.023
217 H LEU 33 H LEU 33 -1.740 7.834 5.251
218 HA LEU 33 HA LEU 33 0.093 9.876 4.749
219 HB2 LEU 33 1HB LEU 33 -1.850 9.576 7.033
220 HB3 LEU 33 2HB LEU 33 -1.016 11.070 6.610
221 HG LEU 33 HG LEU 33 -2.852 9.661 4.690
222 HD11 LEU 33 1HD1 LEU 33 -4.331 11.730 5.539
223 HD12 LEU 33 2HD1 LEU 33 -3.500 11.323 7.040
224 HD13 LEU 33 3HD1 LEU 33 -4.463 10.103 6.207
225 HD21 LEU 33 3HD2 LEU 33 -2.000 12.546 4.881
226 HD22 LEU 33 1HD2 LEU 33 -2.921 11.785 3.584
227 HD23 LEU 33 2HD2 LEU 33 -1.231 11.347 3.839
228 H ILE 34 H ILE 34 0.188 7.309 7.032
229 HA ILE 34 HA ILE 34 1.938 8.516 8.927
230 HB ILE 34 HB ILE 34 2.032 6.472 9.995
231 HG12 ILE 34 1HG1 ILE 34 1.755 5.249 7.255
232 HG13 ILE 34 2HG1 ILE 34 3.100 5.106 8.381
233 HG21 ILE 34 1HG2 ILE 34 -0.444 5.884 8.431
234 HG22 ILE 34 2HG2 ILE 34 -0.153 5.744 10.164
235 HG23 ILE 34 3HG2 ILE 34 -0.354 7.335 9.430
236 HD11 ILE 34 3HD1 ILE 34 1.927 3.041 8.356
237 HD12 ILE 34 1HD1 ILE 34 1.594 3.829 9.897
238 HD13 ILE 34 2HD1 ILE 34 0.382 3.849 8.616
239 H HIS 35 H HIS 35 2.393 6.761 5.936
240 HA HIS 35 HA HIS 35 5.196 6.312 6.292
241 HB2 HIS 35 1HB HIS 35 3.326 6.111 3.943
242 HB3 HIS 35 2HB HIS 35 5.064 5.903 3.746
243 HD1 HIS 35 HD1 HIS 35 6.066 3.987 5.524
244 HD2 HIS 35 HD2 HIS 35 2.060 3.782 4.441
245 HE1 HIS 35 HE1 HIS 35 5.350 1.632 6.037
246 H ALA 36 H ALA 36 3.245 8.914 5.098
247 HA ALA 36 HA ALA 36 5.522 10.249 3.860
248 HB1 ALA 36 3HB ALA 36 4.017 11.316 2.612
249 HB2 ALA 36 1HB ALA 36 2.811 10.233 3.307
250 HB3 ALA 36 2HB ALA 36 3.091 11.819 4.026
251 H GLY 37 H GLY 37 6.009 9.911 6.509
252 HA2 GLY 37 1HA GLY 37 5.443 12.554 7.699
253 HA3 GLY 37 2HA GLY 37 5.758 11.095 8.628
254 H GLU 38 H GLU 38 7.445 12.614 5.882
255 HA GLU 38 HA GLU 38 9.962 12.286 7.328
256 HB2 GLU 38 1HB GLU 38 11.016 12.854 5.160
257 HB3 GLU 38 2HB GLU 38 9.940 11.468 5.052
258 HG2 GLU 38 1HG GLU 38 8.239 12.783 4.010
259 HG3 GLU 38 2HG GLU 38 9.154 14.265 4.280
260 H ASN 39 H ASN 39 11.597 14.160 6.710
261 HA ASN 39 HA ASN 39 10.260 16.741 7.165
262 HB2 ASN 39 1HB ASN 39 12.679 15.643 8.607
263 HB3 ASN 39 2HB ASN 39 12.188 17.333 8.675
264 HD21 ASN 39 1HD2 ASN 39 10.589 14.171 8.937
265 HD22 ASN 39 2HD2 ASN 39 9.719 14.544 10.382
266 HA PRO 40 HA PRO 40 12.713 18.016 3.717
267 HB2 PRO 40 1HB PRO 40 12.334 20.692 3.978
268 HB3 PRO 40 2HB PRO 40 11.090 19.601 3.356
269 HG2 PRO 40 1HG PRO 40 11.407 20.742 6.106
270 HG3 PRO 40 2HG PRO 40 9.936 20.563 5.132
271 HD2 PRO 40 1HD PRO 40 10.585 18.843 7.120
272 HD3 PRO 40 2HD PRO 40 9.702 18.333 5.667
273 H SER 41 H SER 41 13.548 18.310 6.898
274 HA SER 41 HA SER 41 15.710 20.191 6.649
275 HB2 SER 41 1HB SER 41 14.333 19.489 8.778
276 HB3 SER 41 2HB SER 41 15.541 18.208 8.888
277 HG SER 41 HG SER 41 16.390 19.874 10.017
278 H GLY 42 H GLY 42 16.967 19.365 4.944
279 HA2 GLY 42 1HA GLY 42 19.020 18.360 4.416
280 HA3 GLY 42 2HA GLY 42 18.823 17.285 5.792
281 HA PRO 43 HA PRO 43 17.372 15.432 1.583
282 HB2 PRO 43 1HB PRO 43 19.692 14.408 0.613
283 HB3 PRO 43 2HB PRO 43 19.104 16.022 0.194
284 HG2 PRO 43 1HG PRO 43 21.167 15.221 2.210
285 HG3 PRO 43 2HG PRO 43 21.198 16.562 1.050
286 HD2 PRO 43 1HD PRO 43 20.580 16.910 3.663
287 HD3 PRO 43 2HD PRO 43 19.870 17.903 2.373
288 H SER 44 H SER 44 17.180 13.165 1.192
289 HA SER 44 HA SER 44 17.978 11.535 3.506
290 HB2 SER 44 1HB SER 44 16.097 10.061 2.908
291 HB3 SER 44 2HB SER 44 15.554 11.719 3.169
292 HG SER 44 HG SER 44 14.877 10.423 1.170
293 H SER 45 H SER 45 19.932 10.711 2.938
294 HA SER 45 HA SER 45 20.223 9.445 0.314
295 HB2 SER 45 1HB SER 45 22.579 9.491 0.677
296 HB3 SER 45 2HB SER 45 21.969 11.052 1.225
297 HG SER 45 HG SER 45 23.491 9.672 2.617
298 H GLY 46 H GLY 46 21.103 7.301 0.132
299 HA2 GLY 46 1HA GLY 46 21.798 5.414 1.837
300 HA3 GLY 46 2HA GLY 46 20.096 5.556 2.251