Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588771 | 2rv2 RC | 11482 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 4.654 -21.388 -13.607
2 H2 GLY 1 2H GLY 1 4.569 -22.629 -12.540
3 H3 GLY 1 3H GLY 1 5.246 -21.206 -12.091
4 HA2 GLY 1 1HA GLY 1 2.405 -21.621 -12.771
5 HA3 GLY 1 2HA GLY 1 3.049 -21.404 -11.134
6 H SER 2 H SER 2 1.639 -19.582 -10.894
7 HA SER 2 HA SER 2 2.772 -17.034 -11.885
8 HB2 SER 2 1HB SER 2 0.545 -16.187 -12.520
9 HB3 SER 2 2HB SER 2 1.063 -17.541 -13.534
10 HG SER 2 HG SER 2 -1.123 -17.753 -12.860
11 H SER 3 H SER 3 1.950 -15.146 -10.723
12 HA SER 3 HA SER 3 2.018 -15.539 -7.903
13 HB2 SER 3 1HB SER 3 1.246 -13.047 -9.463
14 HB3 SER 3 2HB SER 3 1.729 -13.114 -7.756
15 HG SER 3 HG SER 3 3.483 -12.552 -9.141
16 H GLY 4 H GLY 4 0.517 -15.349 -6.294
17 HA2 GLY 4 1HA GLY 4 -2.305 -15.821 -6.878
18 HA3 GLY 4 2HA GLY 4 -1.554 -15.687 -5.293
19 H SER 5 H SER 5 -3.970 -14.612 -5.562
20 HA SER 5 HA SER 5 -3.950 -11.800 -6.292
21 HB2 SER 5 1HB SER 5 -6.031 -13.392 -4.755
22 HB3 SER 5 2HB SER 5 -6.259 -11.806 -5.519
23 HG SER 5 HG SER 5 -7.012 -13.529 -6.846
24 H SER 6 H SER 6 -2.895 -13.355 -3.467
25 HA SER 6 HA SER 6 -2.372 -12.740 -1.359
26 HB2 SER 6 1HB SER 6 -1.854 -10.075 -2.702
27 HB3 SER 6 2HB SER 6 -1.172 -10.618 -1.157
28 HG SER 6 HG SER 6 0.250 -11.000 -2.928
29 H GLY 7 H GLY 7 -5.267 -12.360 -1.911
30 HA2 GLY 7 1HA GLY 7 -7.110 -11.857 -0.626
31 HA3 GLY 7 2HA GLY 7 -6.036 -11.225 0.621
32 H LYS 8 H LYS 8 -4.843 -9.144 -1.028
33 HA LYS 8 HA LYS 8 -7.117 -7.307 -1.578
34 HB2 LYS 8 1HB LYS 8 -4.706 -6.825 0.198
35 HB3 LYS 8 2HB LYS 8 -5.727 -5.511 -0.404
36 HG2 LYS 8 1HG LYS 8 -7.698 -6.480 0.713
37 HG3 LYS 8 2HG LYS 8 -6.723 -7.846 1.285
38 HD2 LYS 8 1HD LYS 8 -5.257 -6.264 2.527
39 HD3 LYS 8 2HD LYS 8 -6.322 -4.928 2.020
40 HE2 LYS 8 1HE LYS 8 -8.225 -6.017 3.162
41 HE3 LYS 8 2HE LYS 8 -7.177 -7.364 3.632
42 HZ1 LYS 8 3HZ LYS 8 -5.853 -5.811 4.949
43 HZ2 LYS 8 1HZ LYS 8 -7.411 -5.714 5.425
44 HZ3 LYS 8 2HZ LYS 8 -6.766 -4.541 4.487
45 HA PRO 9 HA PRO 9 -5.093 -6.440 -5.309
46 HB2 PRO 9 1HB PRO 9 -6.120 -4.004 -6.017
47 HB3 PRO 9 2HB PRO 9 -7.070 -5.521 -5.978
48 HG2 PRO 9 1HG PRO 9 -6.816 -3.452 -3.765
49 HG3 PRO 9 2HG PRO 9 -8.331 -4.102 -4.490
50 HD2 PRO 9 1HD PRO 9 -7.321 -5.129 -2.206
51 HD3 PRO 9 2HD PRO 9 -7.937 -6.234 -3.483
52 H PHE 10 H PHE 10 -4.834 -3.710 -2.959
53 HA PHE 10 HA PHE 10 -2.293 -2.822 -4.278
54 HB2 PHE 10 1HB PHE 10 -4.171 -1.183 -2.587
55 HB3 PHE 10 2HB PHE 10 -2.795 -0.628 -3.502
56 HD1 PHE 10 1HD PHE 10 -2.741 -1.015 -6.051
57 HD2 PHE 10 2HD PHE 10 -6.324 -1.200 -3.670
58 HE1 PHE 10 1HE PHE 10 -4.103 -0.790 -8.098
59 HE2 PHE 10 2HE PHE 10 -7.704 -1.002 -5.731
60 HZ PHE 10 HZ PHE 10 -6.594 -0.780 -7.953
61 H LYS 11 H LYS 11 -0.992 -4.117 -3.396
62 HA LYS 11 HA LYS 11 -0.469 -4.129 -0.467
63 HB2 LYS 11 1HB LYS 11 -0.767 -6.245 -1.846
64 HB3 LYS 11 2HB LYS 11 0.732 -5.855 -2.670
65 HG2 LYS 11 1HG LYS 11 0.390 -6.491 0.300
66 HG3 LYS 11 2HG LYS 11 1.015 -7.562 -0.953
67 HD2 LYS 11 1HD LYS 11 2.837 -5.772 -1.339
68 HD3 LYS 11 2HD LYS 11 2.301 -5.099 0.226
69 HE2 LYS 11 1HE LYS 11 2.759 -7.270 1.312
70 HE3 LYS 11 2HE LYS 11 3.309 -7.929 -0.239
71 HZ1 LYS 11 3HZ LYS 11 4.522 -5.620 1.183
72 HZ2 LYS 11 1HZ LYS 11 5.022 -6.168 -0.268
73 HZ3 LYS 11 2HZ LYS 11 5.195 -7.117 1.061
74 H CYS 12 H CYS 12 0.944 -2.818 0.279
75 HA CYS 12 HA CYS 12 2.521 -0.881 -0.947
76 HB2 CYS 12 1HB CYS 12 1.850 -0.896 1.368
77 HB3 CYS 12 2HB CYS 12 2.768 -2.375 1.678
78 H SER 13 H SER 13 4.600 -0.673 -1.657
79 HA SER 13 HA SER 13 5.979 -3.094 -2.549
80 HB2 SER 13 1HB SER 13 7.511 -1.499 -3.659
81 HB3 SER 13 2HB SER 13 5.808 -1.249 -4.073
82 HG SER 13 HG SER 13 6.911 0.719 -3.597
83 H LEU 14 H LEU 14 6.039 -1.449 0.354
84 HA LEU 14 HA LEU 14 8.945 -2.005 0.897
85 HB2 LEU 14 1HB LEU 14 7.109 0.055 2.165
86 HB3 LEU 14 2HB LEU 14 8.836 -0.105 2.426
87 HG LEU 14 HG LEU 14 7.551 0.627 -0.242
88 HD11 LEU 14 1HD1 LEU 14 8.416 2.895 0.217
89 HD12 LEU 14 2HD1 LEU 14 8.889 2.363 1.853
90 HD13 LEU 14 3HD1 LEU 14 7.180 2.358 1.359
91 HD21 LEU 14 3HD2 LEU 14 9.840 1.299 -0.894
92 HD22 LEU 14 1HD2 LEU 14 9.758 -0.428 -0.534
93 HD23 LEU 14 2HD2 LEU 14 10.463 0.689 0.660
94 H CYS 15 H CYS 15 5.696 -2.073 2.289
95 HA CYS 15 HA CYS 15 6.647 -3.972 4.396
96 HB2 CYS 15 1HB CYS 15 5.578 -2.835 6.107
97 HB3 CYS 15 2HB CYS 15 6.389 -1.596 5.183
98 H GLU 16 H GLU 16 4.494 -4.658 5.682
99 HA GLU 16 HA GLU 16 3.097 -6.377 3.738
100 HB2 GLU 16 1HB GLU 16 4.275 -7.101 5.947
101 HB3 GLU 16 2HB GLU 16 2.821 -6.511 6.753
102 HG2 GLU 16 1HG GLU 16 1.462 -8.156 5.471
103 HG3 GLU 16 2HG GLU 16 2.887 -8.625 4.546
104 H TYR 17 H TYR 17 2.453 -3.352 4.505
105 HA TYR 17 HA TYR 17 -0.362 -3.415 5.154
106 HB2 TYR 17 1HB TYR 17 1.069 -1.472 5.418
107 HB3 TYR 17 2HB TYR 17 1.391 -1.405 3.705
108 HD1 TYR 17 1HD TYR 17 -0.449 -0.713 2.108
109 HD2 TYR 17 2HD TYR 17 -0.980 -0.570 6.381
110 HE1 TYR 17 1HE TYR 17 -2.402 0.844 1.814
111 HE2 TYR 17 2HE TYR 17 -2.900 0.992 6.085
112 HH TYR 17 HH TYR 17 -4.213 2.132 4.598
113 H ALA 18 H ALA 18 -2.143 -3.627 3.939
114 HA ALA 18 HA ALA 18 -2.013 -3.157 1.096
115 HB1 ALA 18 1HB ALA 18 -2.972 -5.277 0.373
116 HB2 ALA 18 2HB ALA 18 -1.448 -5.579 1.249
117 HB3 ALA 18 3HB ALA 18 -2.993 -5.872 2.060
118 H THR 19 H THR 19 -3.979 -2.737 0.111
119 HA THR 19 HA THR 19 -6.444 -2.577 1.778
120 HB THR 19 HB THR 19 -5.289 -0.476 2.160
121 HG1 THR 19 1HG THR 19 -6.967 0.704 1.784
122 HG21 THR 19 3HG2 THR 19 -3.853 -0.362 0.194
123 HG22 THR 19 1HG2 THR 19 -4.823 1.085 0.422
124 HG23 THR 19 2HG2 THR 19 -5.274 -0.083 -0.842
125 H ARG 20 H ARG 20 -8.310 -1.871 0.531
126 HA ARG 20 HA ARG 20 -8.489 -3.259 -2.087
127 HB2 ARG 20 1HB ARG 20 -10.544 -2.330 -0.065
128 HB3 ARG 20 2HB ARG 20 -11.005 -2.923 -1.654
129 HG2 ARG 20 1HG ARG 20 -9.283 -4.596 0.217
130 HG3 ARG 20 2HG ARG 20 -11.043 -4.590 0.304
131 HD2 ARG 20 1HD ARG 20 -11.232 -5.386 -2.007
132 HD3 ARG 20 2HD ARG 20 -9.502 -5.270 -2.235
133 HE ARG 20 HE ARG 20 -9.185 -7.281 -1.116
134 HH11 ARG 20 2HH1 ARG 20 -12.516 -6.353 -0.518
135 HH12 ARG 20 1HH1 ARG 20 -12.896 -7.910 0.165
136 HH21 ARG 20 2HH2 ARG 20 -9.721 -9.190 -0.271
137 HH22 ARG 20 1HH2 ARG 20 -11.346 -9.480 0.307
138 H SER 21 H SER 21 -7.856 -0.107 -1.187
139 HA SER 21 HA SER 21 -8.790 0.832 -3.869
140 HB2 SER 21 1HB SER 21 -10.369 1.653 -2.149
141 HB3 SER 21 2HB SER 21 -9.020 2.469 -1.327
142 HG SER 21 HG SER 21 -10.079 3.886 -2.785
143 H LYS 22 H LYS 22 -7.390 1.957 -5.033
144 HA LYS 22 HA LYS 22 -4.630 2.005 -4.302
145 HB2 LYS 22 1HB LYS 22 -4.234 2.948 -6.463
146 HB3 LYS 22 2HB LYS 22 -5.482 1.717 -6.592
147 HG2 LYS 22 1HG LYS 22 -7.211 3.616 -6.523
148 HG3 LYS 22 2HG LYS 22 -5.855 4.733 -6.715
149 HD2 LYS 22 1HD LYS 22 -6.684 2.517 -8.640
150 HD3 LYS 22 2HD LYS 22 -6.939 4.254 -8.859
151 HE2 LYS 22 1HE LYS 22 -4.451 4.589 -8.848
152 HE3 LYS 22 2HE LYS 22 -4.240 2.835 -8.725
153 HZ1 LYS 22 3HZ LYS 22 -5.392 2.613 -10.863
154 HZ2 LYS 22 1HZ LYS 22 -4.088 3.580 -11.029
155 HZ3 LYS 22 2HZ LYS 22 -5.583 4.232 -10.979
156 H SER 23 H SER 23 -7.072 4.543 -4.049
157 HA SER 23 HA SER 23 -5.207 6.712 -3.564
158 HB2 SER 23 1HB SER 23 -7.201 7.921 -2.762
159 HB3 SER 23 2HB SER 23 -7.456 7.165 -4.346
160 HG SER 23 HG SER 23 -9.223 6.805 -2.921
161 H ASN 24 H ASN 24 -6.727 4.262 -1.520
162 HA ASN 24 HA ASN 24 -5.911 5.461 0.994
163 HB2 ASN 24 1HB ASN 24 -7.872 3.899 0.610
164 HB3 ASN 24 2HB ASN 24 -6.707 2.587 0.390
165 HD21 ASN 24 1HD2 ASN 24 -7.297 5.251 2.802
166 HD22 ASN 24 2HD2 ASN 24 -7.116 4.168 4.171
167 H LEU 25 H LEU 25 -4.560 2.749 -1.021
168 HA LEU 25 HA LEU 25 -2.194 2.481 0.492
169 HB2 LEU 25 1HB LEU 25 -2.772 0.870 -1.285
170 HB3 LEU 25 2HB LEU 25 -2.538 2.105 -2.516
171 HG LEU 25 HG LEU 25 -0.187 2.253 -2.014
172 HD11 LEU 25 1HD1 LEU 25 -0.146 1.840 0.422
173 HD12 LEU 25 2HD1 LEU 25 0.960 0.755 -0.404
174 HD13 LEU 25 3HD1 LEU 25 -0.620 0.147 0.127
175 HD21 LEU 25 3HD2 LEU 25 -0.835 0.480 -3.579
176 HD22 LEU 25 1HD2 LEU 25 -0.888 -0.670 -2.211
177 HD23 LEU 25 2HD2 LEU 25 0.640 0.083 -2.680
178 H LYS 26 H LYS 26 -2.781 4.681 -2.251
179 HA LYS 26 HA LYS 26 -0.265 5.960 -2.345
180 HB2 LYS 26 1HB LYS 26 -2.044 6.286 -3.972
181 HB3 LYS 26 2HB LYS 26 -3.027 7.159 -2.808
182 HG2 LYS 26 1HG LYS 26 -0.250 8.162 -3.483
183 HG3 LYS 26 2HG LYS 26 -1.535 8.382 -4.653
184 HD2 LYS 26 1HD LYS 26 -1.584 9.464 -1.802
185 HD3 LYS 26 2HD LYS 26 -1.173 10.383 -3.233
186 HE2 LYS 26 1HE LYS 26 -3.886 9.065 -2.740
187 HE3 LYS 26 2HE LYS 26 -3.497 10.743 -2.374
188 HZ1 LYS 26 3HZ LYS 26 -3.423 9.563 -5.102
189 HZ2 LYS 26 1HZ LYS 26 -3.034 11.108 -4.736
190 HZ3 LYS 26 2HZ LYS 26 -4.561 10.585 -4.531
191 H ALA 27 H ALA 27 -2.857 6.544 -0.003
192 HA ALA 27 HA ALA 27 -1.569 8.846 1.236
193 HB1 ALA 27 1HB ALA 27 -4.015 8.447 1.318
194 HB2 ALA 27 2HB ALA 27 -3.741 6.978 2.284
195 HB3 ALA 27 3HB ALA 27 -3.308 8.567 2.943
196 H HIS 28 H HIS 28 -1.573 5.331 1.841
197 HA HIS 28 HA HIS 28 0.077 5.373 4.210
198 HB2 HIS 28 1HB HIS 28 -1.305 3.515 3.816
199 HB3 HIS 28 2HB HIS 28 -0.692 3.263 2.192
200 HD1 HIS 28 1HD HIS 28 0.285 2.632 5.821
201 HD2 HIS 28 2HD HIS 28 1.665 2.040 1.890
202 HE1 HIS 28 1HE HIS 28 2.251 1.047 6.017
203 H MET 29 H MET 29 0.892 5.029 0.706
204 HA MET 29 HA MET 29 3.713 4.744 1.108
205 HB2 MET 29 1HB MET 29 2.216 5.851 -1.303
206 HB3 MET 29 2HB MET 29 3.901 5.324 -1.281
207 HG2 MET 29 1HG MET 29 1.427 3.618 -0.917
208 HG3 MET 29 2HG MET 29 2.568 3.551 -2.226
209 HE1 MET 29 3HE MET 29 5.626 1.759 -0.649
210 HE2 MET 29 1HE MET 29 4.924 2.497 -2.105
211 HE3 MET 29 2HE MET 29 5.420 3.527 -0.735
212 H ASN 30 H ASN 30 1.708 7.616 1.071
213 HA ASN 30 HA ASN 30 3.899 9.521 0.931
214 HB2 ASN 30 1HB ASN 30 0.970 9.670 1.627
215 HB3 ASN 30 2HB ASN 30 2.030 10.967 2.161
216 HD21 ASN 30 1HD2 ASN 30 0.967 9.216 -0.788
217 HD22 ASN 30 2HD2 ASN 30 1.366 10.563 -1.855
218 H ARG 31 H ARG 31 2.546 7.630 3.623
219 HA ARG 31 HA ARG 31 3.959 9.072 5.721
220 HB2 ARG 31 1HB ARG 31 3.014 6.180 5.727
221 HB3 ARG 31 2HB ARG 31 3.561 7.116 7.111
222 HG2 ARG 31 1HG ARG 31 1.676 8.735 6.764
223 HG3 ARG 31 2HG ARG 31 1.107 7.747 5.414
224 HD2 ARG 31 1HD ARG 31 -0.214 7.185 7.314
225 HD3 ARG 31 2HD ARG 31 0.847 5.808 6.964
226 HE ARG 31 HE ARG 31 2.106 7.521 8.890
227 HH11 ARG 31 2HH1 ARG 31 -0.600 5.299 8.780
228 HH12 ARG 31 1HH1 ARG 31 -0.478 4.927 10.479
229 HH21 ARG 31 2HH2 ARG 31 2.209 6.997 11.046
230 HH22 ARG 31 1HH2 ARG 31 1.067 5.872 11.722
231 H HIS 32 H HIS 32 4.762 6.146 3.809
232 HA HIS 32 HA HIS 32 7.402 5.791 4.867
233 HB2 HIS 32 1HB HIS 32 6.191 5.107 2.158
234 HB3 HIS 32 2HB HIS 32 7.827 4.682 2.619
235 HD1 HIS 32 1HD HIS 32 7.879 3.135 5.079
236 HD2 HIS 32 2HD HIS 32 4.619 3.104 2.435
237 HE1 HIS 32 1HE HIS 32 6.731 0.902 5.438
238 H SER 33 H SER 33 6.206 7.866 2.209
239 HA SER 33 HA SER 33 8.755 8.721 1.261
240 HB2 SER 33 1HB SER 33 6.537 8.876 0.076
241 HB3 SER 33 2HB SER 33 6.137 10.256 1.113
242 HG SER 33 HG SER 33 7.081 10.871 -0.916
243 H THR 34 H THR 34 6.555 10.254 3.668
244 HA THR 34 HA THR 34 8.370 12.512 4.034
245 HB THR 34 HB THR 34 5.878 12.646 4.100
246 HG1 THR 34 1HG THR 34 5.938 14.226 5.678
247 HG21 THR 34 3HG2 THR 34 4.682 12.209 6.142
248 HG22 THR 34 1HG2 THR 34 6.160 11.678 6.978
249 HG23 THR 34 2HG2 THR 34 5.482 10.708 5.657
250 H GLU 35 H GLU 35 7.991 9.430 5.701
251 HA GLU 35 HA GLU 35 9.389 10.231 8.103
252 HB2 GLU 35 1HB GLU 35 7.832 8.340 8.013
253 HB3 GLU 35 2HB GLU 35 8.925 7.466 6.926
254 HG2 GLU 35 1HG GLU 35 10.664 7.440 8.694
255 HG3 GLU 35 2HG GLU 35 9.624 8.401 9.747
256 H LYS 36 H LYS 36 11.462 10.628 8.375
257 HA LYS 36 HA LYS 36 13.611 9.115 7.166
258 HB2 LYS 36 1HB LYS 36 14.759 11.256 6.291
259 HB3 LYS 36 2HB LYS 36 13.551 10.460 5.312
260 HG2 LYS 36 1HG LYS 36 13.319 12.835 5.122
261 HG3 LYS 36 2HG LYS 36 11.880 12.144 5.845
262 HD2 LYS 36 1HD LYS 36 12.704 12.930 8.111
263 HD3 LYS 36 2HD LYS 36 14.113 13.624 7.300
264 HE2 LYS 36 1HE LYS 36 12.655 15.448 7.536
265 HE3 LYS 36 2HE LYS 36 12.448 14.950 5.856
266 HZ1 LYS 36 3HZ LYS 36 10.296 15.309 6.862
267 HZ2 LYS 36 1HZ LYS 36 10.624 14.326 8.121
268 HZ3 LYS 36 2HZ LYS 36 10.425 13.693 6.632
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 -0.026 -15.426 -6.583
2 H2 GLY 1 2H GLY 1 -0.621 -15.940 -8.020
3 H3 GLY 1 3H GLY 1 0.759 -16.596 -7.424
4 HA2 GLY 1 1HA GLY 1 -1.079 -18.125 -7.130
5 HA3 GLY 1 2HA GLY 1 -0.409 -17.586 -5.579
6 H SER 2 H SER 2 -3.132 -18.575 -6.263
7 HA SER 2 HA SER 2 -5.035 -16.523 -6.496
8 HB2 SER 2 1HB SER 2 -5.395 -19.207 -5.117
9 HB3 SER 2 2HB SER 2 -6.664 -18.212 -5.853
10 HG SER 2 HG SER 2 -5.718 -18.566 -7.882
11 H SER 3 H SER 3 -3.299 -17.413 -3.593
12 HA SER 3 HA SER 3 -5.116 -16.352 -1.628
13 HB2 SER 3 1HB SER 3 -3.036 -16.208 -0.237
14 HB3 SER 3 2HB SER 3 -3.326 -17.799 -0.958
15 HG SER 3 HG SER 3 -1.136 -17.111 -1.195
16 H GLY 4 H GLY 4 -2.823 -14.812 -3.847
17 HA2 GLY 4 1HA GLY 4 -2.761 -12.209 -2.566
18 HA3 GLY 4 2HA GLY 4 -2.272 -12.604 -4.219
19 H SER 5 H SER 5 -4.614 -13.545 -5.372
20 HA SER 5 HA SER 5 -6.128 -11.104 -5.780
21 HB2 SER 5 1HB SER 5 -7.435 -12.481 -7.376
22 HB3 SER 5 2HB SER 5 -5.686 -12.506 -7.659
23 HG SER 5 HG SER 5 -6.671 -14.599 -7.774
24 H SER 6 H SER 6 -6.706 -14.037 -3.877
25 HA SER 6 HA SER 6 -9.432 -13.325 -3.120
26 HB2 SER 6 1HB SER 6 -7.430 -15.137 -1.715
27 HB3 SER 6 2HB SER 6 -9.165 -15.029 -1.380
28 HG SER 6 HG SER 6 -7.860 -15.974 -3.710
29 H GLY 7 H GLY 7 -6.339 -12.156 -2.139
30 HA2 GLY 7 1HA GLY 7 -7.163 -11.114 0.496
31 HA3 GLY 7 2HA GLY 7 -5.580 -11.009 -0.263
32 H LYS 8 H LYS 8 -5.071 -8.933 -0.425
33 HA LYS 8 HA LYS 8 -7.118 -6.929 -1.247
34 HB2 LYS 8 1HB LYS 8 -4.699 -6.735 0.528
35 HB3 LYS 8 2HB LYS 8 -5.238 -5.322 -0.364
36 HG2 LYS 8 1HG LYS 8 -6.196 -5.185 1.796
37 HG3 LYS 8 2HG LYS 8 -7.476 -5.469 0.633
38 HD2 LYS 8 1HD LYS 8 -7.896 -6.690 2.673
39 HD3 LYS 8 2HD LYS 8 -7.616 -7.843 1.368
40 HE2 LYS 8 1HE LYS 8 -5.293 -8.196 2.154
41 HE3 LYS 8 2HE LYS 8 -5.499 -6.938 3.381
42 HZ1 LYS 8 3HZ LYS 8 -7.035 -9.487 3.306
43 HZ2 LYS 8 1HZ LYS 8 -7.195 -8.320 4.439
44 HZ3 LYS 8 2HZ LYS 8 -5.802 -9.157 4.324
45 HA PRO 9 HA PRO 9 -5.048 -6.585 -5.128
46 HB2 PRO 9 1HB PRO 9 -6.041 -4.221 -6.073
47 HB3 PRO 9 2HB PRO 9 -7.019 -5.713 -5.910
48 HG2 PRO 9 1HG PRO 9 -6.757 -3.457 -3.884
49 HG3 PRO 9 2HG PRO 9 -8.277 -4.139 -4.578
50 HD2 PRO 9 1HD PRO 9 -7.260 -4.936 -2.206
51 HD3 PRO 9 2HD PRO 9 -7.960 -6.152 -3.337
52 H PHE 10 H PHE 10 -4.860 -3.696 -2.979
53 HA PHE 10 HA PHE 10 -2.309 -2.857 -4.306
54 HB2 PHE 10 1HB PHE 10 -4.199 -1.195 -2.646
55 HB3 PHE 10 2HB PHE 10 -2.822 -0.645 -3.567
56 HD1 PHE 10 1HD PHE 10 -2.743 -1.179 -6.110
57 HD2 PHE 10 2HD PHE 10 -6.340 -1.187 -3.742
58 HE1 PHE 10 1HE PHE 10 -4.090 -1.087 -8.172
59 HE2 PHE 10 2HE PHE 10 -7.705 -1.137 -5.816
60 HZ PHE 10 HZ PHE 10 -6.584 -1.058 -8.044
61 H LYS 11 H LYS 11 -0.998 -4.121 -3.415
62 HA LYS 11 HA LYS 11 -0.447 -4.089 -0.493
63 HB2 LYS 11 1HB LYS 11 -0.747 -6.219 -1.854
64 HB3 LYS 11 2HB LYS 11 0.747 -5.831 -2.688
65 HG2 LYS 11 1HG LYS 11 0.419 -6.444 0.287
66 HG3 LYS 11 2HG LYS 11 1.044 -7.521 -0.960
67 HD2 LYS 11 1HD LYS 11 2.857 -5.729 -1.365
68 HD3 LYS 11 2HD LYS 11 2.324 -5.042 0.195
69 HE2 LYS 11 1HE LYS 11 2.795 -7.201 1.299
70 HE3 LYS 11 2HE LYS 11 3.341 -7.872 -0.248
71 HZ1 LYS 11 3HZ LYS 11 4.551 -5.546 1.148
72 HZ2 LYS 11 1HZ LYS 11 5.048 -6.105 -0.300
73 HZ3 LYS 11 2HZ LYS 11 5.230 -7.040 1.037
74 H CYS 12 H CYS 12 0.962 -2.761 0.227
75 HA CYS 12 HA CYS 12 2.527 -0.836 -1.035
76 HB2 CYS 12 1HB CYS 12 1.867 -0.801 1.276
77 HB3 CYS 12 2HB CYS 12 2.768 -2.282 1.616
78 H SER 13 H SER 13 4.606 -0.628 -1.743
79 HA SER 13 HA SER 13 5.985 -3.052 -2.621
80 HB2 SER 13 1HB SER 13 7.514 -1.463 -3.741
81 HB3 SER 13 2HB SER 13 5.811 -1.212 -4.152
82 HG SER 13 HG SER 13 6.916 0.757 -3.687
83 H LEU 14 H LEU 14 6.059 -1.374 0.272
84 HA LEU 14 HA LEU 14 8.960 -1.953 0.809
85 HB2 LEU 14 1HB LEU 14 7.155 0.130 2.083
86 HB3 LEU 14 2HB LEU 14 8.885 -0.050 2.321
87 HG LEU 14 HG LEU 14 7.573 0.695 -0.329
88 HD11 LEU 14 1HD1 LEU 14 8.463 2.954 0.113
89 HD12 LEU 14 2HD1 LEU 14 8.963 2.420 1.742
90 HD13 LEU 14 3HD1 LEU 14 7.242 2.433 1.281
91 HD21 LEU 14 3HD2 LEU 14 9.863 1.337 -1.014
92 HD22 LEU 14 1HD2 LEU 14 9.762 -0.388 -0.652
93 HD23 LEU 14 2HD2 LEU 14 10.499 0.719 0.530
94 H CYS 15 H CYS 15 5.718 -1.979 2.225
95 HA CYS 15 HA CYS 15 6.674 -3.860 4.346
96 HB2 CYS 15 1HB CYS 15 5.589 -2.714 6.043
97 HB3 CYS 15 2HB CYS 15 6.408 -1.486 5.112
98 H GLU 16 H GLU 16 4.533 -4.552 5.640
99 HA GLU 16 HA GLU 16 3.134 -6.286 3.712
100 HB2 GLU 16 1HB GLU 16 4.321 -6.994 5.922
101 HB3 GLU 16 2HB GLU 16 2.867 -6.406 6.728
102 HG2 GLU 16 1HG GLU 16 1.512 -8.063 5.458
103 HG3 GLU 16 2HG GLU 16 2.937 -8.531 4.532
104 H TYR 17 H TYR 17 2.480 -3.260 4.465
105 HA TYR 17 HA TYR 17 -0.334 -3.334 5.111
106 HB2 TYR 17 1HB TYR 17 1.077 -1.375 5.362
107 HB3 TYR 17 2HB TYR 17 1.410 -1.323 3.650
108 HD1 TYR 17 1HD TYR 17 -0.374 -0.632 2.037
109 HD2 TYR 17 2HD TYR 17 -1.053 -0.548 6.288
110 HE1 TYR 17 1HE TYR 17 -2.373 0.843 1.687
111 HE2 TYR 17 2HE TYR 17 -3.030 0.929 5.940
112 HH TYR 17 HH TYR 17 -4.330 2.035 4.421
113 H ALA 18 H ALA 18 -2.116 -3.536 3.893
114 HA ALA 18 HA ALA 18 -1.984 -3.069 1.056
115 HB1 ALA 18 1HB ALA 18 -1.415 -5.512 1.250
116 HB2 ALA 18 2HB ALA 18 -3.004 -5.782 1.983
117 HB3 ALA 18 3HB ALA 18 -2.886 -5.181 0.299
118 H THR 19 H THR 19 -3.998 -2.724 0.051
119 HA THR 19 HA THR 19 -6.438 -2.590 1.749
120 HB THR 19 HB THR 19 -5.298 -0.447 2.096
121 HG1 THR 19 1HG THR 19 -7.549 -0.439 1.947
122 HG21 THR 19 3HG2 THR 19 -5.390 -0.073 -0.906
123 HG22 THR 19 1HG2 THR 19 -3.933 -0.301 0.091
124 HG23 THR 19 2HG2 THR 19 -4.938 1.121 0.329
125 H ARG 20 H ARG 20 -8.382 -2.103 0.561
126 HA ARG 20 HA ARG 20 -8.541 -3.335 -2.112
127 HB2 ARG 20 1HB ARG 20 -10.670 -2.193 -0.285
128 HB3 ARG 20 2HB ARG 20 -10.985 -3.010 -1.805
129 HG2 ARG 20 1HG ARG 20 -9.715 -4.280 0.657
130 HG3 ARG 20 2HG ARG 20 -11.388 -4.448 0.160
131 HD2 ARG 20 1HD ARG 20 -8.979 -5.508 -1.371
132 HD3 ARG 20 2HD ARG 20 -10.081 -6.445 -0.377
133 HE ARG 20 HE ARG 20 -11.544 -5.027 -2.403
134 HH11 ARG 20 2HH1 ARG 20 -9.567 -7.966 -2.062
135 HH12 ARG 20 1HH1 ARG 20 -10.290 -8.657 -3.474
136 HH21 ARG 20 2HH2 ARG 20 -12.389 -6.045 -4.164
137 HH22 ARG 20 1HH2 ARG 20 -11.836 -7.631 -4.605
138 H SER 21 H SER 21 -7.981 -0.157 -1.043
139 HA SER 21 HA SER 21 -8.976 0.959 -3.653
140 HB2 SER 21 1HB SER 21 -8.942 2.279 -0.921
141 HB3 SER 21 2HB SER 21 -9.400 3.062 -2.447
142 HG SER 21 HG SER 21 -11.227 2.269 -1.289
143 H LYS 22 H LYS 22 -7.437 1.710 -4.949
144 HA LYS 22 HA LYS 22 -4.703 1.880 -4.235
145 HB2 LYS 22 1HB LYS 22 -4.318 2.696 -6.450
146 HB3 LYS 22 2HB LYS 22 -5.565 1.464 -6.500
147 HG2 LYS 22 1HG LYS 22 -7.302 3.337 -6.554
148 HG3 LYS 22 2HG LYS 22 -5.961 4.468 -6.771
149 HD2 LYS 22 1HD LYS 22 -6.690 2.153 -8.619
150 HD3 LYS 22 2HD LYS 22 -7.030 3.867 -8.904
151 HE2 LYS 22 1HE LYS 22 -4.568 4.334 -8.885
152 HE3 LYS 22 2HE LYS 22 -4.259 2.603 -8.687
153 HZ1 LYS 22 3HZ LYS 22 -5.650 3.827 -11.010
154 HZ2 LYS 22 1HZ LYS 22 -5.371 2.227 -10.825
155 HZ3 LYS 22 2HZ LYS 22 -4.122 3.259 -11.018
156 H SER 23 H SER 23 -7.131 4.418 -4.159
157 HA SER 23 HA SER 23 -5.391 6.671 -3.748
158 HB2 SER 23 1HB SER 23 -7.493 7.702 -2.829
159 HB3 SER 23 2HB SER 23 -7.662 7.003 -4.450
160 HG SER 23 HG SER 23 -9.394 6.407 -3.040
161 H ASN 24 H ASN 24 -6.699 4.205 -1.563
162 HA ASN 24 HA ASN 24 -5.844 5.573 0.873
163 HB2 ASN 24 1HB ASN 24 -7.823 4.009 0.672
164 HB3 ASN 24 2HB ASN 24 -6.688 2.679 0.456
165 HD21 ASN 24 1HD2 ASN 24 -7.220 1.585 2.311
166 HD22 ASN 24 2HD2 ASN 24 -6.995 2.247 3.931
167 H LEU 25 H LEU 25 -4.578 2.773 -1.081
168 HA LEU 25 HA LEU 25 -2.190 2.504 0.393
169 HB2 LEU 25 1HB LEU 25 -2.797 0.870 -1.353
170 HB3 LEU 25 2HB LEU 25 -2.572 2.086 -2.604
171 HG LEU 25 HG LEU 25 -0.222 2.248 -2.107
172 HD11 LEU 25 1HD1 LEU 25 0.942 0.753 -0.511
173 HD12 LEU 25 2HD1 LEU 25 -0.634 0.138 0.030
174 HD13 LEU 25 3HD1 LEU 25 -0.162 1.834 0.321
175 HD21 LEU 25 3HD2 LEU 25 0.620 0.096 -2.793
176 HD22 LEU 25 1HD2 LEU 25 -0.871 0.472 -3.677
177 HD23 LEU 25 2HD2 LEU 25 -0.890 -0.680 -2.310
178 H LYS 26 H LYS 26 -2.787 4.656 -2.387
179 HA LYS 26 HA LYS 26 -0.290 5.967 -2.527
180 HB2 LYS 26 1HB LYS 26 -2.081 6.250 -4.130
181 HB3 LYS 26 2HB LYS 26 -3.101 7.061 -2.960
182 HG2 LYS 26 1HG LYS 26 -0.389 8.199 -3.721
183 HG3 LYS 26 2HG LYS 26 -1.767 8.397 -4.792
184 HD2 LYS 26 1HD LYS 26 -1.597 9.481 -1.948
185 HD3 LYS 26 2HD LYS 26 -1.426 10.383 -3.449
186 HE2 LYS 26 1HE LYS 26 -3.765 9.718 -4.081
187 HE3 LYS 26 2HE LYS 26 -3.941 8.934 -2.504
188 HZ1 LYS 26 3HZ LYS 26 -3.548 11.105 -1.458
189 HZ2 LYS 26 1HZ LYS 26 -4.826 11.192 -2.471
190 HZ3 LYS 26 2HZ LYS 26 -3.394 11.826 -2.919
191 H ALA 27 H ALA 27 -2.865 6.535 -0.161
192 HA ALA 27 HA ALA 27 -1.564 8.848 1.056
193 HB1 ALA 27 1HB ALA 27 -4.022 8.462 1.127
194 HB2 ALA 27 2HB ALA 27 -3.754 7.013 2.124
195 HB3 ALA 27 3HB ALA 27 -3.311 8.615 2.748
196 H HIS 28 H HIS 28 -1.655 5.333 1.721
197 HA HIS 28 HA HIS 28 -0.038 5.368 4.099
198 HB2 HIS 28 1HB HIS 28 -1.374 3.483 3.672
199 HB3 HIS 28 2HB HIS 28 -0.736 3.259 2.055
200 HD1 HIS 28 1HD HIS 28 0.206 2.587 5.684
201 HD2 HIS 28 2HD HIS 28 1.695 2.149 1.774
202 HE1 HIS 28 1HE HIS 28 2.270 1.135 5.899
203 H MET 29 H MET 29 0.869 5.075 0.615
204 HA MET 29 HA MET 29 3.645 4.658 1.085
205 HB2 MET 29 1HB MET 29 2.286 5.949 -1.314
206 HB3 MET 29 2HB MET 29 3.955 5.378 -1.263
207 HG2 MET 29 1HG MET 29 1.431 3.718 -1.085
208 HG3 MET 29 2HG MET 29 2.628 3.688 -2.341
209 HE1 MET 29 3HE MET 29 5.405 3.515 -0.745
210 HE2 MET 29 1HE MET 29 5.573 1.742 -0.729
211 HE3 MET 29 2HE MET 29 4.952 2.558 -2.181
212 H ASN 30 H ASN 30 1.808 7.648 1.137
213 HA ASN 30 HA ASN 30 4.146 9.390 1.257
214 HB2 ASN 30 1HB ASN 30 1.166 9.749 1.700
215 HB3 ASN 30 2HB ASN 30 2.316 11.003 2.163
216 HD21 ASN 30 1HD2 ASN 30 1.094 9.173 -0.688
217 HD22 ASN 30 2HD2 ASN 30 1.677 10.385 -1.818
218 H ARG 31 H ARG 31 2.806 7.236 3.596
219 HA ARG 31 HA ARG 31 3.831 8.715 5.945
220 HB2 ARG 31 1HB ARG 31 2.981 5.801 5.776
221 HB3 ARG 31 2HB ARG 31 3.206 6.769 7.228
222 HG2 ARG 31 1HG ARG 31 1.311 8.233 6.596
223 HG3 ARG 31 2HG ARG 31 1.071 7.286 5.118
224 HD2 ARG 31 1HD ARG 31 0.713 5.246 6.530
225 HD3 ARG 31 2HD ARG 31 0.776 6.286 7.969
226 HE ARG 31 HE ARG 31 -1.124 7.391 6.168
227 HH11 ARG 31 2HH2 ARG 31 -0.869 4.567 8.226
228 HH12 ARG 31 1HH2 ARG 31 -2.597 4.382 8.339
229 HH21 ARG 31 2HH1 ARG 31 -3.319 7.110 6.375
230 HH22 ARG 31 1HH1 ARG 31 -3.941 5.791 7.321
231 H HIS 32 H HIS 32 5.018 6.308 3.685
232 HA HIS 32 HA HIS 32 7.434 5.691 5.196
233 HB2 HIS 32 1HB HIS 32 6.589 5.174 2.321
234 HB3 HIS 32 2HB HIS 32 8.147 4.694 2.968
235 HD1 HIS 32 1HD HIS 32 7.930 2.993 5.264
236 HD2 HIS 32 2HD HIS 32 4.843 3.246 2.430
237 HE1 HIS 32 1HE HIS 32 6.629 0.830 5.472
238 H SER 33 H SER 33 6.502 8.437 3.406
239 HA SER 33 HA SER 33 9.047 9.247 2.324
240 HB2 SER 33 1HB SER 33 6.512 10.838 2.856
241 HB3 SER 33 2HB SER 33 7.867 11.356 1.856
242 HG SER 33 HG SER 33 7.452 9.621 0.445
243 H THR 34 H THR 34 9.878 8.652 4.703
244 HA THR 34 HA THR 34 10.612 11.164 6.075
245 HB THR 34 HB THR 34 8.455 10.481 7.066
246 HG1 THR 34 1HG THR 34 9.149 10.624 9.171
247 HG21 THR 34 3HG2 THR 34 9.912 7.991 8.042
248 HG22 THR 34 1HG2 THR 34 8.636 8.028 6.805
249 HG23 THR 34 2HG2 THR 34 8.264 8.504 8.466
250 H GLU 35 H GLU 35 11.996 10.427 8.129
251 HA GLU 35 HA GLU 35 14.325 9.018 7.023
252 HB2 GLU 35 1HB GLU 35 13.844 10.343 9.721
253 HB3 GLU 35 2HB GLU 35 15.381 9.653 9.185
254 HG2 GLU 35 1HG GLU 35 15.413 11.232 7.257
255 HG3 GLU 35 2HG GLU 35 13.924 11.973 7.847
256 H LYS 36 H LYS 36 15.472 7.331 8.130
257 HA LYS 36 HA LYS 36 13.871 5.475 9.831
258 HB2 LYS 36 1HB LYS 36 15.550 4.650 7.417
259 HB3 LYS 36 2HB LYS 36 14.873 3.572 8.628
260 HG2 LYS 36 1HG LYS 36 13.270 3.338 7.040
261 HG3 LYS 36 2HG LYS 36 12.560 4.665 7.958
262 HD2 LYS 36 1HD LYS 36 13.599 6.259 6.257
263 HD3 LYS 36 2HD LYS 36 14.133 4.844 5.340
264 HE2 LYS 36 1HE LYS 36 11.805 4.116 5.040
265 HE3 LYS 36 2HE LYS 36 11.239 5.409 6.112
266 HZ1 LYS 36 3HZ LYS 36 12.534 5.825 3.472
267 HZ2 LYS 36 1HZ LYS 36 12.128 7.023 4.527
268 HZ3 LYS 36 2HZ LYS 36 10.956 6.118 3.851
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 8.100 -15.827 4.227
2 H2 GLY 1 2H GLY 1 7.392 -14.423 3.769
3 H3 GLY 1 3H GLY 1 8.958 -14.432 4.251
4 HA2 GLY 1 1HA GLY 1 8.860 -14.230 1.864
5 HA3 GLY 1 2HA GLY 1 9.602 -15.764 2.353
6 H SER 2 H SER 2 9.060 -16.854 0.538
7 HA SER 2 HA SER 2 8.041 -18.150 -0.915
8 HB2 SER 2 1HB SER 2 6.562 -19.772 -0.103
9 HB3 SER 2 2HB SER 2 7.628 -19.318 1.232
10 HG SER 2 HG SER 2 5.454 -19.445 1.911
11 H SER 3 H SER 3 5.904 -15.579 -0.013
12 HA SER 3 HA SER 3 4.068 -14.650 -0.923
13 HB2 SER 3 1HB SER 3 5.032 -15.790 -3.562
14 HB3 SER 3 2HB SER 3 3.836 -14.499 -3.344
15 HG SER 3 HG SER 3 5.953 -13.684 -3.748
16 H GLY 4 H GLY 4 3.810 -17.332 0.190
17 HA2 GLY 4 1HA GLY 4 2.025 -18.937 -1.370
18 HA3 GLY 4 2HA GLY 4 2.414 -19.135 0.336
19 H SER 5 H SER 5 1.163 -16.045 0.075
20 HA SER 5 HA SER 5 -1.696 -16.793 0.154
21 HB2 SER 5 1HB SER 5 -0.815 -17.038 2.488
22 HB3 SER 5 2HB SER 5 -0.380 -15.319 2.465
23 HG SER 5 HG SER 5 -2.466 -15.739 3.393
24 H SER 6 H SER 6 -3.116 -15.074 -0.144
25 HA SER 6 HA SER 6 -2.242 -12.329 -0.577
26 HB2 SER 6 1HB SER 6 -1.610 -13.530 -2.722
27 HB3 SER 6 2HB SER 6 -3.336 -13.864 -2.970
28 HG SER 6 HG SER 6 -2.580 -11.929 -4.024
29 H GLY 7 H GLY 7 -4.223 -11.064 -1.534
30 HA2 GLY 7 1HA GLY 7 -6.863 -11.998 -1.369
31 HA3 GLY 7 2HA GLY 7 -6.480 -11.408 0.255
32 H LYS 8 H LYS 8 -4.824 -9.177 -0.573
33 HA LYS 8 HA LYS 8 -7.009 -7.312 -1.343
34 HB2 LYS 8 1HB LYS 8 -4.466 -6.977 0.253
35 HB3 LYS 8 2HB LYS 8 -5.334 -5.592 -0.400
36 HG2 LYS 8 1HG LYS 8 -5.964 -5.879 1.871
37 HG3 LYS 8 2HG LYS 8 -7.363 -6.211 0.848
38 HD2 LYS 8 1HD LYS 8 -7.169 -8.606 1.277
39 HD3 LYS 8 2HD LYS 8 -5.576 -8.385 2.018
40 HE2 LYS 8 1HE LYS 8 -7.119 -8.745 3.786
41 HE3 LYS 8 2HE LYS 8 -6.631 -7.049 3.842
42 HZ1 LYS 8 3HZ LYS 8 -8.749 -6.480 2.768
43 HZ2 LYS 8 1HZ LYS 8 -9.036 -7.328 4.127
44 HZ3 LYS 8 2HZ LYS 8 -9.180 -8.059 2.679
45 HA PRO 9 HA PRO 9 -5.125 -6.554 -5.249
46 HB2 PRO 9 1HB PRO 9 -6.202 -4.152 -5.982
47 HB3 PRO 9 2HB PRO 9 -7.135 -5.677 -5.888
48 HG2 PRO 9 1HG PRO 9 -6.873 -3.534 -3.755
49 HG3 PRO 9 2HG PRO 9 -8.384 -4.252 -4.412
50 HD2 PRO 9 1HD PRO 9 -7.282 -5.150 -2.110
51 HD3 PRO 9 2HD PRO 9 -7.950 -6.315 -3.297
52 H PHE 10 H PHE 10 -4.822 -3.811 -2.911
53 HA PHE 10 HA PHE 10 -2.274 -2.981 -4.257
54 HB2 PHE 10 1HB PHE 10 -4.117 -1.289 -2.575
55 HB3 PHE 10 2HB PHE 10 -2.741 -0.775 -3.518
56 HD1 PHE 10 1HD PHE 10 -2.724 -1.253 -6.062
57 HD2 PHE 10 2HD PHE 10 -6.276 -1.225 -3.628
58 HE1 PHE 10 1HE PHE 10 -4.107 -1.041 -8.095
59 HE2 PHE 10 2HE PHE 10 -7.675 -1.012 -5.672
60 HZ PHE 10 HZ PHE 10 -6.595 -0.914 -7.915
61 H LYS 11 H LYS 11 -1.006 -4.306 -3.350
62 HA LYS 11 HA LYS 11 -0.345 -4.213 -0.459
63 HB2 LYS 11 1HB LYS 11 -0.274 -6.398 -1.489
64 HB3 LYS 11 2HB LYS 11 0.672 -5.799 -2.841
65 HG2 LYS 11 1HG LYS 11 2.080 -7.132 -1.427
66 HG3 LYS 11 2HG LYS 11 2.629 -5.477 -1.434
67 HD2 LYS 11 1HD LYS 11 2.852 -6.336 0.798
68 HD3 LYS 11 2HD LYS 11 1.586 -5.131 0.805
69 HE2 LYS 11 1HE LYS 11 0.807 -6.922 2.162
70 HE3 LYS 11 2HE LYS 11 -0.123 -7.002 0.664
71 HZ1 LYS 11 3HZ LYS 11 1.347 -8.800 -0.079
72 HZ2 LYS 11 1HZ LYS 11 0.692 -9.193 1.361
73 HZ3 LYS 11 2HZ LYS 11 2.243 -8.699 1.284
74 H CYS 12 H CYS 12 0.972 -2.826 0.299
75 HA CYS 12 HA CYS 12 2.439 -0.769 -0.915
76 HB2 CYS 12 1HB CYS 12 1.835 -0.833 1.411
77 HB3 CYS 12 2HB CYS 12 2.768 -2.310 1.677
78 H SER 13 H SER 13 4.504 -0.480 -1.599
79 HA SER 13 HA SER 13 5.901 -2.782 -2.717
80 HB2 SER 13 1HB SER 13 6.707 0.151 -2.642
81 HB3 SER 13 2HB SER 13 7.419 -1.112 -3.663
82 HG SER 13 HG SER 13 5.854 0.102 -4.806
83 H LEU 14 H LEU 14 5.993 -1.386 0.346
84 HA LEU 14 HA LEU 14 8.901 -2.005 0.811
85 HB2 LEU 14 1HB LEU 14 7.144 0.090 2.140
86 HB3 LEU 14 2HB LEU 14 8.872 -0.116 2.357
87 HG LEU 14 HG LEU 14 7.547 0.678 -0.277
88 HD11 LEU 14 1HD1 LEU 14 7.234 2.402 1.337
89 HD12 LEU 14 2HD1 LEU 14 8.463 2.922 0.179
90 HD13 LEU 14 3HD1 LEU 14 8.953 2.372 1.804
91 HD21 LEU 14 3HD2 LEU 14 9.825 1.304 -0.978
92 HD22 LEU 14 1HD2 LEU 14 9.721 -0.423 -0.620
93 HD23 LEU 14 2HD2 LEU 14 10.476 0.677 0.557
94 H CYS 15 H CYS 15 5.671 -1.998 2.256
95 HA CYS 15 HA CYS 15 6.612 -3.931 4.334
96 HB2 CYS 15 1HB CYS 15 5.572 -2.809 6.062
97 HB3 CYS 15 2HB CYS 15 6.380 -1.564 5.147
98 H GLU 16 H GLU 16 4.486 -4.627 5.623
99 HA GLU 16 HA GLU 16 3.105 -6.345 3.686
100 HB2 GLU 16 1HB GLU 16 4.228 -7.062 5.899
101 HB3 GLU 16 2HB GLU 16 2.814 -6.389 6.711
102 HG2 GLU 16 1HG GLU 16 1.365 -8.023 5.551
103 HG3 GLU 16 2HG GLU 16 2.727 -8.565 4.567
104 H TYR 17 H TYR 17 2.423 -3.299 4.556
105 HA TYR 17 HA TYR 17 -0.379 -3.368 5.170
106 HB2 TYR 17 1HB TYR 17 1.069 -1.437 5.433
107 HB3 TYR 17 2HB TYR 17 1.376 -1.357 3.720
108 HD1 TYR 17 1HD TYR 17 -0.438 -0.655 2.137
109 HD2 TYR 17 2HD TYR 17 -1.015 -0.536 6.401
110 HE1 TYR 17 1HE TYR 17 -2.418 0.855 1.821
111 HE2 TYR 17 2HE TYR 17 -2.971 0.976 6.090
112 HH TYR 17 HH TYR 17 -4.290 2.095 4.598
113 H ALA 18 H ALA 18 -2.174 -3.638 3.966
114 HA ALA 18 HA ALA 18 -2.050 -3.082 1.133
115 HB1 ALA 18 1HB ALA 18 -1.447 -5.502 1.272
116 HB2 ALA 18 2HB ALA 18 -3.020 -5.824 2.028
117 HB3 ALA 18 3HB ALA 18 -2.937 -5.198 0.353
118 H THR 19 H THR 19 -4.027 -2.750 0.103
119 HA THR 19 HA THR 19 -6.492 -2.600 1.759
120 HB THR 19 HB THR 19 -5.315 -0.477 2.144
121 HG1 THR 19 1HG THR 19 -7.564 -0.430 1.977
122 HG21 THR 19 3HG2 THR 19 -3.930 -0.332 0.162
123 HG22 THR 19 1HG2 THR 19 -4.906 1.106 0.413
124 HG23 THR 19 2HG2 THR 19 -5.370 -0.058 -0.850
125 H ARG 20 H ARG 20 -8.392 -1.983 0.526
126 HA ARG 20 HA ARG 20 -8.559 -3.246 -2.129
127 HB2 ARG 20 1HB ARG 20 -10.566 -2.116 -0.158
128 HB3 ARG 20 2HB ARG 20 -11.051 -2.573 -1.779
129 HG2 ARG 20 1HG ARG 20 -9.667 -4.497 0.136
130 HG3 ARG 20 2HG ARG 20 -11.416 -4.325 0.018
131 HD2 ARG 20 1HD ARG 20 -9.610 -5.134 -2.305
132 HD3 ARG 20 2HD ARG 20 -10.488 -6.263 -1.296
133 HE ARG 20 HE ARG 20 -11.562 -4.511 -3.400
134 HH11 ARG 20 2HH1 ARG 20 -12.505 -6.552 -0.703
135 HH12 ARG 20 1HH1 ARG 20 -14.135 -6.719 -1.294
136 HH21 ARG 20 2HH2 ARG 20 -13.650 -4.771 -4.082
137 HH22 ARG 20 1HH2 ARG 20 -14.757 -5.737 -3.153
138 H SER 21 H SER 21 -7.972 -0.060 -1.055
139 HA SER 21 HA SER 21 -8.895 1.051 -3.694
140 HB2 SER 21 1HB SER 21 -8.860 2.394 -0.976
141 HB3 SER 21 2HB SER 21 -9.285 3.171 -2.513
142 HG SER 21 HG SER 21 -11.140 2.428 -1.370
143 H LYS 22 H LYS 22 -7.350 1.777 -4.979
144 HA LYS 22 HA LYS 22 -4.598 1.920 -4.336
145 HB2 LYS 22 1HB LYS 22 -5.686 1.698 -6.611
146 HB3 LYS 22 2HB LYS 22 -6.042 3.424 -6.564
147 HG2 LYS 22 1HG LYS 22 -3.551 3.849 -6.298
148 HG3 LYS 22 2HG LYS 22 -3.282 2.114 -6.502
149 HD2 LYS 22 1HD LYS 22 -4.598 3.966 -8.543
150 HD3 LYS 22 2HD LYS 22 -2.906 3.452 -8.570
151 HE2 LYS 22 1HE LYS 22 -3.614 1.085 -8.777
152 HE3 LYS 22 2HE LYS 22 -5.312 1.584 -8.770
153 HZ1 LYS 22 3HZ LYS 22 -4.496 1.270 -11.035
154 HZ2 LYS 22 1HZ LYS 22 -3.314 2.373 -10.826
155 HZ3 LYS 22 2HZ LYS 22 -4.880 2.839 -10.817
156 H SER 23 H SER 23 -7.047 4.478 -4.254
157 HA SER 23 HA SER 23 -5.348 6.714 -3.694
158 HB2 SER 23 1HB SER 23 -7.492 7.725 -2.862
159 HB3 SER 23 2HB SER 23 -7.594 7.031 -4.491
160 HG SER 23 HG SER 23 -9.376 6.418 -3.155
161 H ASN 24 H ASN 24 -6.611 4.163 -1.594
162 HA ASN 24 HA ASN 24 -5.877 5.573 0.878
163 HB2 ASN 24 1HB ASN 24 -7.843 3.995 0.655
164 HB3 ASN 24 2HB ASN 24 -6.691 2.670 0.461
165 HD21 ASN 24 1HD2 ASN 24 -7.162 1.573 2.324
166 HD22 ASN 24 2HD2 ASN 24 -6.969 2.257 3.940
167 H LEU 25 H LEU 25 -4.570 2.759 -1.025
168 HA LEU 25 HA LEU 25 -2.216 2.490 0.491
169 HB2 LEU 25 1HB LEU 25 -2.788 0.855 -1.257
170 HB3 LEU 25 2HB LEU 25 -2.572 2.071 -2.510
171 HG LEU 25 HG LEU 25 -0.222 2.240 -2.028
172 HD11 LEU 25 1HD1 LEU 25 0.958 0.806 -0.411
173 HD12 LEU 25 2HD1 LEU 25 -0.598 0.147 0.134
174 HD13 LEU 25 3HD1 LEU 25 -0.177 1.857 0.416
175 HD21 LEU 25 3HD2 LEU 25 0.604 0.070 -2.690
176 HD22 LEU 25 1HD2 LEU 25 -0.880 0.465 -3.572
177 HD23 LEU 25 2HD2 LEU 25 -0.922 -0.686 -2.203
178 H LYS 26 H LYS 26 -2.739 4.636 -2.295
179 HA LYS 26 HA LYS 26 -0.276 5.974 -2.479
180 HB2 LYS 26 1HB LYS 26 -2.266 6.348 -3.929
181 HB3 LYS 26 2HB LYS 26 -3.090 7.129 -2.587
182 HG2 LYS 26 1HG LYS 26 -1.039 8.831 -2.661
183 HG3 LYS 26 2HG LYS 26 -0.786 8.130 -4.262
184 HD2 LYS 26 1HD LYS 26 -2.155 10.023 -4.615
185 HD3 LYS 26 2HD LYS 26 -3.275 8.645 -4.697
186 HE2 LYS 26 1HE LYS 26 -3.986 9.067 -2.365
187 HE3 LYS 26 2HE LYS 26 -2.801 10.371 -2.222
188 HZ1 LYS 26 3HZ LYS 26 -5.019 11.233 -2.716
189 HZ2 LYS 26 1HZ LYS 26 -5.101 10.384 -4.108
190 HZ3 LYS 26 2HZ LYS 26 -4.009 11.586 -3.946
191 H ALA 27 H ALA 27 -2.857 6.598 -0.151
192 HA ALA 27 HA ALA 27 -1.580 8.847 1.170
193 HB1 ALA 27 1HB ALA 27 -4.038 8.452 1.156
194 HB2 ALA 27 2HB ALA 27 -3.797 7.012 2.175
195 HB3 ALA 27 3HB ALA 27 -3.379 8.616 2.798
196 H HIS 28 H HIS 28 -1.611 5.330 1.779
197 HA HIS 28 HA HIS 28 -0.026 5.400 4.191
198 HB2 HIS 28 1HB HIS 28 -1.350 3.511 3.805
199 HB3 HIS 28 2HB HIS 28 -0.742 3.262 2.181
200 HD1 HIS 28 1HD HIS 28 0.235 2.640 5.808
201 HD2 HIS 28 2HD HIS 28 1.681 2.101 1.892
202 HE1 HIS 28 1HE HIS 28 2.249 1.122 6.026
203 H MET 29 H MET 29 0.891 5.011 0.710
204 HA MET 29 HA MET 29 3.678 4.679 1.160
205 HB2 MET 29 1HB MET 29 2.249 5.880 -1.248
206 HB3 MET 29 2HB MET 29 3.926 5.336 -1.216
207 HG2 MET 29 1HG MET 29 1.438 3.635 -0.916
208 HG3 MET 29 2HG MET 29 2.579 3.609 -2.229
209 HE1 MET 29 3HE MET 29 5.631 1.763 -0.745
210 HE2 MET 29 1HE MET 29 4.902 2.525 -2.178
211 HE3 MET 29 2HE MET 29 5.420 3.531 -0.797
212 H ASN 30 H ASN 30 1.781 7.636 1.096
213 HA ASN 30 HA ASN 30 4.011 9.474 1.037
214 HB2 ASN 30 1HB ASN 30 1.100 9.659 1.834
215 HB3 ASN 30 2HB ASN 30 2.209 10.941 2.302
216 HD21 ASN 30 1HD2 ASN 30 0.989 9.183 -0.609
217 HD22 ASN 30 2HD2 ASN 30 1.345 10.536 -1.677
218 H ARG 31 H ARG 31 2.669 7.514 3.669
219 HA ARG 31 HA ARG 31 4.046 8.921 5.824
220 HB2 ARG 31 1HB ARG 31 3.093 6.033 5.823
221 HB3 ARG 31 2HB ARG 31 3.410 7.059 7.217
222 HG2 ARG 31 1HG ARG 31 1.512 8.534 6.603
223 HG3 ARG 31 2HG ARG 31 1.178 7.514 5.192
224 HD2 ARG 31 1HD ARG 31 0.843 5.562 6.713
225 HD3 ARG 31 2HD ARG 31 1.024 6.660 8.098
226 HE ARG 31 HE ARG 31 -0.958 7.704 6.321
227 HH11 ARG 31 2HH1 ARG 31 -0.635 5.068 8.606
228 HH12 ARG 31 1HH1 ARG 31 -2.352 4.985 8.890
229 HH21 ARG 31 2HH2 ARG 31 -3.133 7.558 6.747
230 HH22 ARG 31 1HH2 ARG 31 -3.723 6.361 7.863
231 H HIS 32 H HIS 32 4.938 6.308 3.631
232 HA HIS 32 HA HIS 32 7.496 5.769 4.954
233 HB2 HIS 32 1HB HIS 32 6.415 5.087 2.191
234 HB3 HIS 32 2HB HIS 32 8.016 4.645 2.753
235 HD1 HIS 32 1HD HIS 32 7.956 3.052 5.140
236 HD2 HIS 32 2HD HIS 32 4.716 3.165 2.475
237 HE1 HIS 32 1HE HIS 32 6.705 0.874 5.490
238 H SER 33 H SER 33 6.323 7.964 2.425
239 HA SER 33 HA SER 33 8.903 8.805 1.471
240 HB2 SER 33 1HB SER 33 6.717 8.933 0.236
241 HB3 SER 33 2HB SER 33 6.264 10.296 1.280
242 HG SER 33 HG SER 33 7.235 10.952 -0.718
243 H THR 34 H THR 34 6.736 10.149 4.012
244 HA THR 34 HA THR 34 8.305 12.518 4.487
245 HB THR 34 HB THR 34 7.083 12.548 6.713
246 HG1 THR 34 1HG THR 34 6.646 10.276 6.772
247 HG21 THR 34 3HG2 THR 34 5.408 12.344 4.177
248 HG22 THR 34 1HG2 THR 34 6.260 13.788 4.764
249 HG23 THR 34 2HG2 THR 34 4.915 13.115 5.701
250 H GLU 35 H GLU 35 9.816 13.038 6.012
251 HA GLU 35 HA GLU 35 11.508 10.879 7.058
252 HB2 GLU 35 1HB GLU 35 11.683 13.910 7.249
253 HB3 GLU 35 2HB GLU 35 12.888 12.810 7.899
254 HG2 GLU 35 1HG GLU 35 12.125 13.105 4.964
255 HG3 GLU 35 2HG GLU 35 13.578 13.727 5.734
256 H LYS 36 H LYS 36 12.247 10.801 9.263
257 HA LYS 36 HA LYS 36 10.318 11.673 11.368
258 HB2 LYS 36 1HB LYS 36 11.483 8.880 11.024
259 HB3 LYS 36 2HB LYS 36 10.671 9.471 12.477
260 HG2 LYS 36 1HG LYS 36 8.590 9.866 11.160
261 HG3 LYS 36 2HG LYS 36 9.400 9.264 9.708
262 HD2 LYS 36 1HD LYS 36 8.020 7.510 10.591
263 HD3 LYS 36 2HD LYS 36 9.716 7.051 10.793
264 HE2 LYS 36 1HE LYS 36 9.617 7.753 13.180
265 HE3 LYS 36 2HE LYS 36 7.935 8.256 12.967
266 HZ1 LYS 36 3HZ LYS 36 7.378 5.936 12.467
267 HZ2 LYS 36 1HZ LYS 36 8.086 6.034 13.933
268 HZ3 LYS 36 2HZ LYS 36 8.936 5.473 12.659
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 -2.889 -27.915 -6.834
2 H2 GLY 1 2H GLY 1 -2.637 -26.720 -5.741
3 H3 GLY 1 3H GLY 1 -1.488 -27.064 -6.855
4 HA2 GLY 1 1HA GLY 1 -2.911 -26.338 -8.651
5 HA3 GLY 1 2HA GLY 1 -4.168 -25.982 -7.452
6 H SER 2 H SER 2 -2.930 -24.142 -9.353
7 HA SER 2 HA SER 2 -1.140 -22.382 -7.838
8 HB2 SER 2 1HB SER 2 -1.182 -21.044 -9.924
9 HB3 SER 2 2HB SER 2 -0.724 -22.735 -10.181
10 HG SER 2 HG SER 2 -2.269 -21.997 -11.728
11 H SER 3 H SER 3 -4.551 -22.647 -8.053
12 HA SER 3 HA SER 3 -5.224 -19.839 -7.779
13 HB2 SER 3 1HB SER 3 -7.509 -20.725 -7.345
14 HB3 SER 3 2HB SER 3 -6.780 -21.300 -8.852
15 HG SER 3 HG SER 3 -7.787 -22.994 -7.656
16 H GLY 4 H GLY 4 -6.383 -18.912 -5.979
17 HA2 GLY 4 1HA GLY 4 -6.492 -19.930 -3.335
18 HA3 GLY 4 2HA GLY 4 -4.978 -19.034 -3.511
19 H SER 5 H SER 5 -6.232 -17.837 -1.720
20 HA SER 5 HA SER 5 -8.375 -16.035 -2.450
21 HB2 SER 5 1HB SER 5 -8.002 -16.745 -0.137
22 HB3 SER 5 2HB SER 5 -6.430 -15.920 -0.119
23 HG SER 5 HG SER 5 -8.204 -14.680 0.781
24 H SER 6 H SER 6 -8.360 -13.910 -3.028
25 HA SER 6 HA SER 6 -5.983 -12.791 -4.291
26 HB2 SER 6 1HB SER 6 -8.692 -11.508 -3.780
27 HB3 SER 6 2HB SER 6 -7.456 -10.953 -4.920
28 HG SER 6 HG SER 6 -7.746 -12.888 -6.100
29 H GLY 7 H GLY 7 -7.196 -12.615 -1.056
30 HA2 GLY 7 1HA GLY 7 -6.643 -11.308 0.779
31 HA3 GLY 7 2HA GLY 7 -5.156 -10.887 -0.072
32 H LYS 8 H LYS 8 -4.897 -8.788 -0.389
33 HA LYS 8 HA LYS 8 -7.229 -7.068 -1.054
34 HB2 LYS 8 1HB LYS 8 -4.938 -6.382 0.806
35 HB3 LYS 8 2HB LYS 8 -5.915 -5.164 0.006
36 HG2 LYS 8 1HG LYS 8 -6.958 -5.280 2.028
37 HG3 LYS 8 2HG LYS 8 -7.966 -6.328 1.055
38 HD2 LYS 8 1HD LYS 8 -7.675 -7.286 3.251
39 HD3 LYS 8 2HD LYS 8 -6.883 -8.313 2.083
40 HE2 LYS 8 1HE LYS 8 -5.490 -8.190 4.012
41 HE3 LYS 8 2HE LYS 8 -4.667 -7.325 2.719
42 HZ1 LYS 8 3HZ LYS 8 -6.276 -6.006 4.853
43 HZ2 LYS 8 1HZ LYS 8 -5.347 -5.230 3.739
44 HZ3 LYS 8 2HZ LYS 8 -4.655 -6.149 4.892
45 HA PRO 9 HA PRO 9 -5.186 -6.547 -4.823
46 HB2 PRO 9 1HB PRO 9 -6.195 -4.193 -5.786
47 HB3 PRO 9 2HB PRO 9 -7.112 -5.725 -5.645
48 HG2 PRO 9 1HG PRO 9 -6.986 -3.456 -3.642
49 HG3 PRO 9 2HG PRO 9 -8.459 -4.223 -4.338
50 HD2 PRO 9 1HD PRO 9 -7.506 -4.977 -1.930
51 HD3 PRO 9 2HD PRO 9 -8.027 -6.236 -3.102
52 H PHE 10 H PHE 10 -4.880 -3.557 -2.805
53 HA PHE 10 HA PHE 10 -2.384 -2.843 -4.296
54 HB2 PHE 10 1HB PHE 10 -4.138 -1.115 -2.563
55 HB3 PHE 10 2HB PHE 10 -2.775 -0.601 -3.534
56 HD1 PHE 10 1HD PHE 10 -2.801 -0.905 -6.051
57 HD2 PHE 10 2HD PHE 10 -6.317 -1.315 -3.601
58 HE1 PHE 10 1HE PHE 10 -4.219 -0.768 -8.072
59 HE2 PHE 10 2HE PHE 10 -7.743 -1.253 -5.634
60 HZ PHE 10 HZ PHE 10 -6.697 -0.910 -7.876
61 H LYS 11 H LYS 11 -1.053 -4.132 -3.472
62 HA LYS 11 HA LYS 11 -0.359 -4.170 -0.598
63 HB2 LYS 11 1HB LYS 11 -0.581 -6.202 -2.197
64 HB3 LYS 11 2HB LYS 11 0.979 -5.723 -2.843
65 HG2 LYS 11 1HG LYS 11 0.370 -6.477 0.055
66 HG3 LYS 11 2HG LYS 11 1.055 -7.539 -1.160
67 HD2 LYS 11 1HD LYS 11 3.038 -5.986 -1.328
68 HD3 LYS 11 2HD LYS 11 2.370 -5.103 0.077
69 HE2 LYS 11 1HE LYS 11 2.353 -7.173 1.399
70 HE3 LYS 11 2HE LYS 11 2.998 -8.084 0.028
71 HZ1 LYS 11 3HZ LYS 11 4.672 -7.402 1.677
72 HZ2 LYS 11 1HZ LYS 11 4.408 -5.819 1.323
73 HZ3 LYS 11 2HZ LYS 11 5.029 -6.815 0.172
74 H CYS 12 H CYS 12 0.998 -2.821 0.165
75 HA CYS 12 HA CYS 12 2.530 -0.823 -1.040
76 HB2 CYS 12 1HB CYS 12 1.867 -0.859 1.270
77 HB3 CYS 12 2HB CYS 12 2.799 -2.329 1.571
78 H SER 13 H SER 13 4.605 -0.526 -1.644
79 HA SER 13 HA SER 13 6.065 -2.821 -2.704
80 HB2 SER 13 1HB SER 13 6.807 0.130 -2.661
81 HB3 SER 13 2HB SER 13 7.575 -1.136 -3.637
82 HG SER 13 HG SER 13 6.013 0.022 -4.844
83 H LEU 14 H LEU 14 6.075 -1.341 0.336
84 HA LEU 14 HA LEU 14 8.984 -1.913 0.861
85 HB2 LEU 14 1HB LEU 14 7.166 0.134 2.177
86 HB3 LEU 14 2HB LEU 14 8.897 -0.038 2.407
87 HG LEU 14 HG LEU 14 7.587 0.756 -0.232
88 HD11 LEU 14 1HD1 LEU 14 7.233 2.462 1.406
89 HD12 LEU 14 2HD1 LEU 14 8.458 3.012 0.256
90 HD13 LEU 14 3HD1 LEU 14 8.952 2.454 1.878
91 HD21 LEU 14 3HD2 LEU 14 9.780 -0.306 -0.567
92 HD22 LEU 14 1HD2 LEU 14 10.508 0.787 0.633
93 HD23 LEU 14 2HD2 LEU 14 9.867 1.426 -0.901
94 H CYS 15 H CYS 15 5.731 -1.973 2.249
95 HA CYS 15 HA CYS 15 6.672 -3.888 4.343
96 HB2 CYS 15 1HB CYS 15 5.502 -2.825 6.032
97 HB3 CYS 15 2HB CYS 15 6.341 -1.547 5.181
98 H GLU 16 H GLU 16 4.534 -4.669 5.549
99 HA GLU 16 HA GLU 16 3.200 -6.327 3.515
100 HB2 GLU 16 1HB GLU 16 4.337 -6.965 5.928
101 HB3 GLU 16 2HB GLU 16 2.671 -6.735 6.424
102 HG2 GLU 16 1HG GLU 16 2.799 -9.019 5.920
103 HG3 GLU 16 2HG GLU 16 2.089 -8.367 4.447
104 H TYR 17 H TYR 17 2.462 -3.380 4.370
105 HA TYR 17 HA TYR 17 -0.348 -3.518 5.010
106 HB2 TYR 17 1HB TYR 17 1.013 -1.529 5.291
107 HB3 TYR 17 2HB TYR 17 1.377 -1.459 3.588
108 HD1 TYR 17 1HD TYR 17 -0.351 -0.695 1.961
109 HD2 TYR 17 2HD TYR 17 -1.158 -0.773 6.192
110 HE1 TYR 17 1HE TYR 17 -2.303 0.831 1.617
111 HE2 TYR 17 2HE TYR 17 -3.107 0.741 5.841
112 HH TYR 17 HH TYR 17 -4.360 1.917 4.328
113 H ALA 18 H ALA 18 -2.125 -3.772 3.800
114 HA ALA 18 HA ALA 18 -2.014 -3.280 0.966
115 HB1 ALA 18 1HB ALA 18 -1.379 -5.670 1.075
116 HB2 ALA 18 2HB ALA 18 -2.896 -6.032 1.900
117 HB3 ALA 18 3HB ALA 18 -2.920 -5.415 0.217
118 H THR 19 H THR 19 -3.915 -2.670 0.067
119 HA THR 19 HA THR 19 -6.363 -2.545 1.783
120 HB THR 19 HB THR 19 -5.015 -0.515 2.147
121 HG1 THR 19 1HG THR 19 -7.085 -0.096 2.322
122 HG21 THR 19 3HG2 THR 19 -3.802 -0.411 0.022
123 HG22 THR 19 1HG2 THR 19 -4.614 1.077 0.456
124 HG23 THR 19 2HG2 THR 19 -5.309 0.033 -0.808
125 H ARG 20 H ARG 20 -8.250 -1.712 0.624
126 HA ARG 20 HA ARG 20 -8.563 -3.072 -1.992
127 HB2 ARG 20 1HB ARG 20 -10.443 -2.259 0.225
128 HB3 ARG 20 2HB ARG 20 -11.085 -2.640 -1.365
129 HG2 ARG 20 1HG ARG 20 -9.203 -4.559 0.036
130 HG3 ARG 20 2HG ARG 20 -10.938 -4.550 0.385
131 HD2 ARG 20 1HD ARG 20 -11.500 -4.997 -1.923
132 HD3 ARG 20 2HD ARG 20 -9.814 -4.876 -2.432
133 HE ARG 20 HE ARG 20 -9.722 -6.883 -0.551
134 HH11 ARG 20 2HH1 ARG 20 -11.821 -6.494 -3.333
135 HH12 ARG 20 1HH1 ARG 20 -11.894 -8.208 -3.626
136 HH21 ARG 20 2HH2 ARG 20 -9.695 -9.039 -1.118
137 HH22 ARG 20 1HH2 ARG 20 -10.797 -9.608 -2.346
138 H SER 21 H SER 21 -7.778 -0.005 -1.238
139 HA SER 21 HA SER 21 -8.833 0.912 -3.878
140 HB2 SER 21 1HB SER 21 -10.306 1.940 -2.258
141 HB3 SER 21 2HB SER 21 -8.924 2.534 -1.318
142 HG SER 21 HG SER 21 -9.921 4.061 -2.853
143 H LYS 22 H LYS 22 -7.389 1.874 -5.146
144 HA LYS 22 HA LYS 22 -4.607 1.972 -4.486
145 HB2 LYS 22 1HB LYS 22 -4.294 2.930 -6.664
146 HB3 LYS 22 2HB LYS 22 -5.507 1.674 -6.747
147 HG2 LYS 22 1HG LYS 22 -7.314 3.407 -6.773
148 HG3 LYS 22 2HG LYS 22 -6.075 4.667 -6.711
149 HD2 LYS 22 1HD LYS 22 -6.825 4.420 -8.981
150 HD3 LYS 22 2HD LYS 22 -5.148 3.870 -8.871
151 HE2 LYS 22 1HE LYS 22 -5.923 1.509 -8.825
152 HE3 LYS 22 2HE LYS 22 -7.607 2.054 -8.866
153 HZ1 LYS 22 3HZ LYS 22 -5.611 2.535 -11.016
154 HZ2 LYS 22 1HZ LYS 22 -7.166 3.034 -11.055
155 HZ3 LYS 22 2HZ LYS 22 -6.819 1.442 -11.081
156 H SER 23 H SER 23 -7.126 4.400 -4.151
157 HA SER 23 HA SER 23 -5.391 6.644 -3.611
158 HB2 SER 23 1HB SER 23 -8.281 6.160 -2.802
159 HB3 SER 23 2HB SER 23 -7.426 7.712 -2.747
160 HG SER 23 HG SER 23 -8.666 7.457 -4.677
161 H ASN 24 H ASN 24 -6.720 4.054 -1.561
162 HA ASN 24 HA ASN 24 -5.901 5.256 0.975
163 HB2 ASN 24 1HB ASN 24 -6.560 2.392 0.172
164 HB3 ASN 24 2HB ASN 24 -6.149 2.881 1.804
165 HD21 ASN 24 1HD2 ASN 24 -8.407 1.573 1.464
166 HD22 ASN 24 2HD2 ASN 24 -9.787 2.655 1.671
167 H LEU 25 H LEU 25 -4.473 2.657 -1.129
168 HA LEU 25 HA LEU 25 -2.086 2.488 0.310
169 HB2 LEU 25 1HB LEU 25 -2.680 0.855 -1.437
170 HB3 LEU 25 2HB LEU 25 -2.448 2.072 -2.688
171 HG LEU 25 HG LEU 25 -0.098 2.252 -2.148
172 HD11 LEU 25 1HD1 LEU 25 1.039 0.748 -0.550
173 HD12 LEU 25 2HD1 LEU 25 -0.539 0.118 -0.039
174 HD13 LEU 25 3HD1 LEU 25 -0.081 1.814 0.273
175 HD21 LEU 25 3HD2 LEU 25 -0.742 0.495 -3.743
176 HD22 LEU 25 1HD2 LEU 25 -0.768 -0.676 -2.395
177 HD23 LEU 25 2HD2 LEU 25 0.747 0.110 -2.857
178 H LYS 26 H LYS 26 -2.736 4.640 -2.455
179 HA LYS 26 HA LYS 26 -0.279 6.001 -2.614
180 HB2 LYS 26 1HB LYS 26 -2.117 6.272 -4.173
181 HB3 LYS 26 2HB LYS 26 -3.120 7.052 -2.967
182 HG2 LYS 26 1HG LYS 26 -0.444 8.246 -3.777
183 HG3 LYS 26 2HG LYS 26 -1.839 8.421 -4.826
184 HD2 LYS 26 1HD LYS 26 -1.671 9.483 -1.974
185 HD3 LYS 26 2HD LYS 26 -1.513 10.405 -3.465
186 HE2 LYS 26 1HE LYS 26 -3.839 9.710 -4.111
187 HE3 LYS 26 2HE LYS 26 -4.007 8.908 -2.541
188 HZ1 LYS 26 3HZ LYS 26 -3.652 11.077 -1.474
189 HZ2 LYS 26 1HZ LYS 26 -4.928 11.152 -2.489
190 HZ3 LYS 26 2HZ LYS 26 -3.503 11.813 -2.926
191 H ALA 27 H ALA 27 -2.827 6.493 -0.196
192 HA ALA 27 HA ALA 27 -1.545 8.821 1.024
193 HB1 ALA 27 1HB ALA 27 -3.289 8.550 2.727
194 HB2 ALA 27 2HB ALA 27 -4.000 8.419 1.104
195 HB3 ALA 27 3HB ALA 27 -3.720 6.957 2.078
196 H HIS 28 H HIS 28 -1.648 5.302 1.689
197 HA HIS 28 HA HIS 28 -0.067 5.307 4.079
198 HB2 HIS 28 1HB HIS 28 -1.406 3.437 3.576
199 HB3 HIS 28 2HB HIS 28 -0.708 3.239 1.977
200 HD1 HIS 28 1HD HIS 28 0.093 2.493 5.626
201 HD2 HIS 28 2HD HIS 28 1.712 2.113 1.760
202 HE1 HIS 28 1HE HIS 28 2.122 0.999 5.881
203 H MET 29 H MET 29 0.917 5.054 0.605
204 HA MET 29 HA MET 29 3.687 4.645 1.122
205 HB2 MET 29 1HB MET 29 2.345 5.942 -1.284
206 HB3 MET 29 2HB MET 29 4.018 5.385 -1.219
207 HG2 MET 29 1HG MET 29 1.511 3.693 -1.051
208 HG3 MET 29 2HG MET 29 2.689 3.696 -2.323
209 HE1 MET 29 3HE MET 29 5.019 2.599 -2.208
210 HE2 MET 29 1HE MET 29 5.482 3.540 -0.764
211 HE3 MET 29 2HE MET 29 5.673 1.768 -0.777
212 H ASN 30 H ASN 30 1.820 7.649 1.056
213 HA ASN 30 HA ASN 30 4.142 9.388 1.251
214 HB2 ASN 30 1HB ASN 30 1.159 9.745 1.643
215 HB3 ASN 30 2HB ASN 30 2.298 11.003 2.124
216 HD21 ASN 30 1HD2 ASN 30 1.067 9.203 -0.731
217 HD22 ASN 30 2HD2 ASN 30 1.679 10.403 -1.858
218 H ARG 31 H ARG 31 2.595 7.339 3.623
219 HA ARG 31 HA ARG 31 3.692 8.780 5.950
220 HB2 ARG 31 1HB ARG 31 2.739 5.902 5.804
221 HB3 ARG 31 2HB ARG 31 3.066 6.847 7.246
222 HG2 ARG 31 1HG ARG 31 1.239 8.454 6.612
223 HG3 ARG 31 2HG ARG 31 0.864 7.431 5.223
224 HD2 ARG 31 1HD ARG 31 -0.693 6.888 6.929
225 HD3 ARG 31 2HD ARG 31 0.430 5.523 6.771
226 HE ARG 31 HE ARG 31 1.389 7.295 8.803
227 HH11 ARG 31 2HH1 ARG 31 -1.283 5.067 8.385
228 HH12 ARG 31 1HH1 ARG 31 -1.407 4.754 10.093
229 HH21 ARG 31 2HH2 ARG 31 1.179 6.845 10.969
230 HH22 ARG 31 1HH2 ARG 31 -0.051 5.744 11.512
231 H HIS 32 H HIS 32 4.837 6.283 3.729
232 HA HIS 32 HA HIS 32 7.217 5.683 5.296
233 HB2 HIS 32 1HB HIS 32 6.472 5.150 2.399
234 HB3 HIS 32 2HB HIS 32 8.024 4.718 3.084
235 HD1 HIS 32 1HD HIS 32 7.851 2.972 5.316
236 HD2 HIS 32 2HD HIS 32 4.726 3.215 2.522
237 HE1 HIS 32 1HE HIS 32 6.589 0.784 5.506
238 H SER 33 H SER 33 6.355 8.202 3.000
239 HA SER 33 HA SER 33 8.972 9.019 2.242
240 HB2 SER 33 1HB SER 33 6.359 10.573 2.191
241 HB3 SER 33 2HB SER 33 7.830 10.998 1.311
242 HG SER 33 HG SER 33 6.492 9.855 -0.064
243 H THR 34 H THR 34 8.023 9.223 5.356
244 HA THR 34 HA THR 34 8.552 11.940 6.118
245 HB THR 34 HB THR 34 8.955 10.899 8.394
246 HG1 THR 34 1HG THR 34 8.371 8.687 8.533
247 HG21 THR 34 3HG2 THR 34 6.713 11.648 7.726
248 HG22 THR 34 1HG2 THR 34 6.618 10.175 8.707
249 HG23 THR 34 2HG2 THR 34 6.397 10.086 6.946
250 H GLU 35 H GLU 35 10.371 12.896 7.071
251 HA GLU 35 HA GLU 35 13.009 12.007 6.217
252 HB2 GLU 35 1HB GLU 35 12.140 14.179 8.165
253 HB3 GLU 35 2HB GLU 35 13.806 13.886 7.648
254 HG2 GLU 35 1HG GLU 35 13.142 14.290 5.282
255 HG3 GLU 35 2HG GLU 35 11.497 14.654 5.808
256 H LYS 36 H LYS 36 14.717 11.228 7.498
257 HA LYS 36 HA LYS 36 13.957 9.872 10.051
258 HB2 LYS 36 1HB LYS 36 15.485 8.438 7.865
259 HB3 LYS 36 2HB LYS 36 14.701 7.774 9.302
260 HG2 LYS 36 1HG LYS 36 12.473 8.550 8.251
261 HG3 LYS 36 2HG LYS 36 13.412 8.849 6.772
262 HD2 LYS 36 1HD LYS 36 14.162 6.385 6.962
263 HD3 LYS 36 2HD LYS 36 12.861 6.206 8.148
264 HE2 LYS 36 1HE LYS 36 12.654 7.000 5.213
265 HE3 LYS 36 2HE LYS 36 12.044 5.524 5.965
266 HZ1 LYS 36 3HZ LYS 36 11.008 8.278 6.404
267 HZ2 LYS 36 1HZ LYS 36 10.452 6.965 7.212
268 HZ3 LYS 36 2HZ LYS 36 10.256 7.097 5.589
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 6.114 -21.667 -6.304
2 H2 GLY 1 2H GLY 1 5.102 -21.100 -7.459
3 H3 GLY 1 3H GLY 1 4.539 -21.394 -5.949
4 HA2 GLY 1 1HA GLY 1 5.900 -19.641 -5.026
5 HA3 GLY 1 2HA GLY 1 6.524 -19.330 -6.655
6 H SER 2 H SER 2 4.991 -17.610 -4.751
7 HA SER 2 HA SER 2 2.747 -16.761 -6.532
8 HB2 SER 2 1HB SER 2 2.602 -17.045 -3.505
9 HB3 SER 2 2HB SER 2 1.346 -16.358 -4.550
10 HG SER 2 HG SER 2 0.954 -18.569 -4.034
11 H SER 3 H SER 3 2.095 -14.548 -6.278
12 HA SER 3 HA SER 3 4.258 -12.686 -5.678
13 HB2 SER 3 1HB SER 3 2.671 -10.978 -6.433
14 HB3 SER 3 2HB SER 3 2.800 -12.313 -7.587
15 HG SER 3 HG SER 3 0.620 -11.749 -7.240
16 H GLY 4 H GLY 4 3.948 -10.774 -4.297
17 HA2 GLY 4 1HA GLY 4 3.262 -11.530 -1.596
18 HA3 GLY 4 2HA GLY 4 3.851 -9.962 -2.148
19 H SER 5 H SER 5 1.223 -10.261 -4.024
20 HA SER 5 HA SER 5 -0.390 -8.517 -2.335
21 HB2 SER 5 1HB SER 5 -0.864 -9.458 -5.179
22 HB3 SER 5 2HB SER 5 -1.690 -8.124 -4.351
23 HG SER 5 HG SER 5 0.057 -7.413 -5.688
24 H SER 6 H SER 6 -0.409 -10.917 -1.075
25 HA SER 6 HA SER 6 -2.342 -12.810 -1.871
26 HB2 SER 6 1HB SER 6 -1.289 -12.230 0.922
27 HB3 SER 6 2HB SER 6 -2.113 -13.713 0.398
28 HG SER 6 HG SER 6 0.169 -13.935 0.340
29 H GLY 7 H GLY 7 -4.400 -12.225 -2.275
30 HA2 GLY 7 1HA GLY 7 -6.630 -12.064 -1.728
31 HA3 GLY 7 2HA GLY 7 -6.194 -11.856 -0.033
32 H LYS 8 H LYS 8 -4.547 -9.419 -1.580
33 HA LYS 8 HA LYS 8 -6.807 -7.473 -1.462
34 HB2 LYS 8 1HB LYS 8 -4.116 -7.172 -0.079
35 HB3 LYS 8 2HB LYS 8 -5.237 -5.853 -0.371
36 HG2 LYS 8 1HG LYS 8 -5.764 -6.333 1.786
37 HG3 LYS 8 2HG LYS 8 -6.994 -7.239 0.924
38 HD2 LYS 8 1HD LYS 8 -6.184 -8.550 2.776
39 HD3 LYS 8 2HD LYS 8 -5.641 -9.332 1.302
40 HE2 LYS 8 1HE LYS 8 -3.404 -8.133 1.607
41 HE3 LYS 8 2HE LYS 8 -3.998 -7.588 3.185
42 HZ1 LYS 8 3HZ LYS 8 -3.654 -10.403 2.309
43 HZ2 LYS 8 1HZ LYS 8 -4.261 -9.967 3.775
44 HZ3 LYS 8 2HZ LYS 8 -2.706 -9.625 3.395
45 HA PRO 9 HA PRO 9 -5.115 -6.367 -5.346
46 HB2 PRO 9 1HB PRO 9 -6.355 -3.999 -5.906
47 HB3 PRO 9 2HB PRO 9 -7.197 -5.579 -5.852
48 HG2 PRO 9 1HG PRO 9 -6.961 -3.536 -3.621
49 HG3 PRO 9 2HG PRO 9 -8.455 -4.298 -4.262
50 HD2 PRO 9 1HD PRO 9 -7.211 -5.248 -2.046
51 HD3 PRO 9 2HD PRO 9 -7.878 -6.385 -3.259
52 H PHE 10 H PHE 10 -4.840 -3.742 -2.868
53 HA PHE 10 HA PHE 10 -2.345 -2.776 -4.233
54 HB2 PHE 10 1HB PHE 10 -4.204 -1.157 -2.502
55 HB3 PHE 10 2HB PHE 10 -2.850 -0.598 -3.451
56 HD1 PHE 10 1HD PHE 10 -2.897 -0.754 -5.990
57 HD2 PHE 10 2HD PHE 10 -6.382 -1.324 -3.525
58 HE1 PHE 10 1HE PHE 10 -4.344 -0.484 -7.978
59 HE2 PHE 10 2HE PHE 10 -7.841 -1.067 -5.524
60 HZ PHE 10 HZ PHE 10 -6.817 -0.623 -7.754
61 H LYS 11 H LYS 11 -1.047 -4.095 -3.357
62 HA LYS 11 HA LYS 11 -0.439 -4.038 -0.440
63 HB2 LYS 11 1HB LYS 11 -0.541 -6.240 -1.335
64 HB3 LYS 11 2HB LYS 11 0.377 -5.795 -2.765
65 HG2 LYS 11 1HG LYS 11 1.681 -7.197 -1.328
66 HG3 LYS 11 2HG LYS 11 2.437 -5.626 -1.493
67 HD2 LYS 11 1HD LYS 11 1.839 -4.997 0.739
68 HD3 LYS 11 2HD LYS 11 0.800 -6.423 0.954
69 HE2 LYS 11 1HE LYS 11 3.717 -6.718 0.165
70 HE3 LYS 11 2HE LYS 11 3.313 -6.385 1.840
71 HZ1 LYS 11 3HZ LYS 11 2.160 -8.693 0.359
72 HZ2 LYS 11 1HZ LYS 11 2.024 -8.382 1.966
73 HZ3 LYS 11 2HZ LYS 11 3.472 -8.795 1.338
74 H CYS 12 H CYS 12 0.959 -2.751 0.288
75 HA CYS 12 HA CYS 12 2.537 -0.803 -0.965
76 HB2 CYS 12 1HB CYS 12 1.884 -0.789 1.355
77 HB3 CYS 12 2HB CYS 12 2.766 -2.285 1.671
78 H SER 13 H SER 13 4.618 -0.623 -1.591
79 HA SER 13 HA SER 13 5.971 -3.013 -2.598
80 HB2 SER 13 1HB SER 13 6.817 -0.092 -2.677
81 HB3 SER 13 2HB SER 13 7.532 -1.419 -3.610
82 HG SER 13 HG SER 13 5.998 -0.252 -4.844
83 H LEU 14 H LEU 14 6.047 -1.472 0.391
84 HA LEU 14 HA LEU 14 8.949 -2.079 0.915
85 HB2 LEU 14 1HB LEU 14 7.154 0.010 2.196
86 HB3 LEU 14 2HB LEU 14 8.878 -0.171 2.442
87 HG LEU 14 HG LEU 14 7.604 0.575 -0.231
88 HD11 LEU 14 1HD1 LEU 14 7.242 2.321 1.355
89 HD12 LEU 14 2HD1 LEU 14 8.494 2.834 0.220
90 HD13 LEU 14 3HD1 LEU 14 8.949 2.307 1.862
91 HD21 LEU 14 3HD2 LEU 14 9.799 -0.511 -0.507
92 HD22 LEU 14 1HD2 LEU 14 10.513 0.606 0.679
93 HD23 LEU 14 2HD2 LEU 14 9.903 1.214 -0.878
94 H CYS 15 H CYS 15 5.701 -2.084 2.298
95 HA CYS 15 HA CYS 15 6.603 -4.006 4.400
96 HB2 CYS 15 1HB CYS 15 5.472 -2.890 6.101
97 HB3 CYS 15 2HB CYS 15 6.406 -1.666 5.261
98 H GLU 16 H GLU 16 4.518 -4.726 5.662
99 HA GLU 16 HA GLU 16 3.000 -6.323 3.730
100 HB2 GLU 16 1HB GLU 16 4.126 -6.807 6.242
101 HB3 GLU 16 2HB GLU 16 2.436 -6.655 6.632
102 HG2 GLU 16 1HG GLU 16 3.712 -8.539 4.587
103 HG3 GLU 16 2HG GLU 16 3.194 -8.991 6.203
104 H TYR 17 H TYR 17 2.454 -3.295 4.497
105 HA TYR 17 HA TYR 17 -0.361 -3.299 5.181
106 HB2 TYR 17 1HB TYR 17 1.091 -1.363 5.428
107 HB3 TYR 17 2HB TYR 17 1.427 -1.323 3.720
108 HD1 TYR 17 1HD TYR 17 -0.357 -0.636 2.099
109 HD2 TYR 17 2HD TYR 17 -1.016 -0.463 6.351
110 HE1 TYR 17 1HE TYR 17 -2.339 0.841 1.728
111 HE2 TYR 17 2HE TYR 17 -2.982 1.026 5.981
112 HH TYR 17 HH TYR 17 -4.314 2.079 4.438
113 H ALA 18 H ALA 18 -2.123 -3.602 3.986
114 HA ALA 18 HA ALA 18 -2.020 -3.077 1.145
115 HB1 ALA 18 1HB ALA 18 -2.947 -5.195 0.409
116 HB2 ALA 18 2HB ALA 18 -1.424 -5.499 1.275
117 HB3 ALA 18 3HB ALA 18 -2.971 -5.800 2.091
118 H THR 19 H THR 19 -4.008 -2.720 0.168
119 HA THR 19 HA THR 19 -6.439 -2.517 1.875
120 HB THR 19 HB THR 19 -5.138 -0.443 2.206
121 HG1 THR 19 1HG THR 19 -7.238 -0.105 2.333
122 HG21 THR 19 3HG2 THR 19 -3.917 -0.410 0.063
123 HG22 THR 19 1HG2 THR 19 -4.698 1.093 0.488
124 HG23 THR 19 2HG2 THR 19 -5.421 0.051 -0.764
125 H ARG 20 H ARG 20 -8.301 -1.693 0.620
126 HA ARG 20 HA ARG 20 -8.518 -3.192 -1.919
127 HB2 ARG 20 1HB ARG 20 -10.437 -2.280 0.222
128 HB3 ARG 20 2HB ARG 20 -11.086 -2.585 -1.378
129 HG2 ARG 20 1HG ARG 20 -9.340 -4.590 0.082
130 HG3 ARG 20 2HG ARG 20 -11.096 -4.562 0.257
131 HD2 ARG 20 1HD ARG 20 -9.732 -4.860 -2.465
132 HD3 ARG 20 2HD ARG 20 -10.121 -6.217 -1.433
133 HE ARG 20 HE ARG 20 -12.418 -5.898 -1.749
134 HH11 ARG 20 2HH1 ARG 20 -10.802 -3.313 -3.571
135 HH12 ARG 20 1HH1 ARG 20 -12.154 -3.175 -4.643
136 HH21 ARG 20 2HH2 ARG 20 -14.085 -5.548 -3.119
137 HH22 ARG 20 1HH2 ARG 20 -13.961 -4.345 -4.367
138 H SER 21 H SER 21 -7.993 0.008 -1.162
139 HA SER 21 HA SER 21 -8.925 0.840 -3.887
140 HB2 SER 21 1HB SER 21 -10.496 1.756 -2.256
141 HB3 SER 21 2HB SER 21 -9.154 2.481 -1.344
142 HG SER 21 HG SER 21 -10.240 3.912 -2.879
143 H LYS 22 H LYS 22 -7.482 1.934 -5.095
144 HA LYS 22 HA LYS 22 -4.732 1.984 -4.365
145 HB2 LYS 22 1HB LYS 22 -5.805 1.907 -6.695
146 HB3 LYS 22 2HB LYS 22 -6.011 3.654 -6.566
147 HG2 LYS 22 1HG LYS 22 -3.592 3.966 -6.380
148 HG3 LYS 22 2HG LYS 22 -3.337 2.221 -6.215
149 HD2 LYS 22 1HD LYS 22 -2.718 3.079 -8.449
150 HD3 LYS 22 2HD LYS 22 -3.950 1.813 -8.504
151 HE2 LYS 22 1HE LYS 22 -5.717 3.465 -8.824
152 HE3 LYS 22 2HE LYS 22 -4.557 4.795 -8.647
153 HZ1 LYS 22 3HZ LYS 22 -5.018 4.318 -10.988
154 HZ2 LYS 22 1HZ LYS 22 -4.519 2.772 -10.832
155 HZ3 LYS 22 2HZ LYS 22 -3.451 3.999 -10.673
156 H SER 23 H SER 23 -7.200 4.500 -4.124
157 HA SER 23 HA SER 23 -5.486 6.700 -3.481
158 HB2 SER 23 1HB SER 23 -8.378 6.192 -2.690
159 HB3 SER 23 2HB SER 23 -7.532 7.751 -2.613
160 HG SER 23 HG SER 23 -8.759 7.509 -4.552
161 H ASN 24 H ASN 24 -6.693 4.042 -1.468
162 HA ASN 24 HA ASN 24 -5.940 5.291 1.079
163 HB2 ASN 24 1HB ASN 24 -6.560 2.417 0.295
164 HB3 ASN 24 2HB ASN 24 -6.205 2.938 1.933
165 HD21 ASN 24 1HD2 ASN 24 -8.452 1.585 1.444
166 HD22 ASN 24 2HD2 ASN 24 -9.848 2.655 1.623
167 H LEU 25 H LEU 25 -4.496 2.723 -1.036
168 HA LEU 25 HA LEU 25 -2.118 2.520 0.440
169 HB2 LEU 25 1HB LEU 25 -2.719 0.849 -1.255
170 HB3 LEU 25 2HB LEU 25 -2.536 2.040 -2.541
171 HG LEU 25 HG LEU 25 -0.177 2.242 -2.088
172 HD11 LEU 25 1HD1 LEU 25 -0.525 0.163 0.092
173 HD12 LEU 25 2HD1 LEU 25 -0.086 1.873 0.346
174 HD13 LEU 25 3HD1 LEU 25 1.029 0.803 -0.484
175 HD21 LEU 25 3HD2 LEU 25 -0.873 -0.683 -2.257
176 HD22 LEU 25 1HD2 LEU 25 0.653 0.072 -2.749
177 HD23 LEU 25 2HD2 LEU 25 -0.836 0.474 -3.622
178 H LYS 26 H LYS 26 -2.745 4.614 -2.360
179 HA LYS 26 HA LYS 26 -0.349 6.012 -2.663
180 HB2 LYS 26 1HB LYS 26 -2.407 6.349 -3.991
181 HB3 LYS 26 2HB LYS 26 -3.218 7.038 -2.590
182 HG2 LYS 26 1HG LYS 26 -1.415 8.926 -2.684
183 HG3 LYS 26 2HG LYS 26 -0.996 8.242 -4.260
184 HD2 LYS 26 1HD LYS 26 -2.577 9.924 -4.776
185 HD3 LYS 26 2HD LYS 26 -3.500 8.419 -4.819
186 HE2 LYS 26 1HE LYS 26 -4.890 9.948 -3.700
187 HE3 LYS 26 2HE LYS 26 -4.251 8.902 -2.432
188 HZ1 LYS 26 3HZ LYS 26 -3.241 11.624 -3.104
189 HZ2 LYS 26 1HZ LYS 26 -2.629 10.683 -1.916
190 HZ3 LYS 26 2HZ LYS 26 -4.155 11.254 -1.807
191 H ALA 27 H ALA 27 -2.818 6.587 -0.201
192 HA ALA 27 HA ALA 27 -1.492 8.847 1.062
193 HB1 ALA 27 1HB ALA 27 -3.699 7.033 2.122
194 HB2 ALA 27 2HB ALA 27 -3.243 8.626 2.751
195 HB3 ALA 27 3HB ALA 27 -3.944 8.485 1.127
196 H HIS 28 H HIS 28 -1.569 5.328 1.750
197 HA HIS 28 HA HIS 28 0.057 5.400 4.121
198 HB2 HIS 28 1HB HIS 28 -1.290 3.514 3.710
199 HB3 HIS 28 2HB HIS 28 -0.642 3.274 2.096
200 HD1 HIS 28 1HD HIS 28 0.294 2.659 5.744
201 HD2 HIS 28 2HD HIS 28 1.745 2.103 1.836
202 HE1 HIS 28 1HE HIS 28 2.314 1.150 5.975
203 H MET 29 H MET 29 0.952 5.039 0.632
204 HA MET 29 HA MET 29 3.751 4.705 1.091
205 HB2 MET 29 1HB MET 29 2.324 5.876 -1.333
206 HB3 MET 29 2HB MET 29 4.003 5.336 -1.287
207 HG2 MET 29 1HG MET 29 1.513 3.636 -0.986
208 HG3 MET 29 2HG MET 29 2.665 3.592 -2.287
209 HE1 MET 29 3HE MET 29 5.017 2.524 -2.167
210 HE2 MET 29 1HE MET 29 5.496 3.535 -0.774
211 HE3 MET 29 2HE MET 29 5.706 1.764 -0.712
212 H ASN 30 H ASN 30 1.817 7.627 1.072
213 HA ASN 30 HA ASN 30 4.086 9.450 1.057
214 HB2 ASN 30 1HB ASN 30 1.135 9.731 1.628
215 HB3 ASN 30 2HB ASN 30 2.259 11.006 2.094
216 HD21 ASN 30 1HD2 ASN 30 1.109 9.150 -0.779
217 HD22 ASN 30 2HD2 ASN 30 1.607 10.412 -1.899
218 H ARG 31 H ARG 31 2.660 7.456 3.584
219 HA ARG 31 HA ARG 31 3.901 8.893 5.819
220 HB2 ARG 31 1HB ARG 31 3.022 5.983 5.746
221 HB3 ARG 31 2HB ARG 31 3.329 6.977 7.163
222 HG2 ARG 31 1HG ARG 31 1.412 8.444 6.592
223 HG3 ARG 31 2HG ARG 31 1.083 7.452 5.160
224 HD2 ARG 31 1HD ARG 31 0.777 5.463 6.635
225 HD3 ARG 31 2HD ARG 31 0.975 6.522 8.049
226 HE ARG 31 HE ARG 31 -1.045 7.623 6.371
227 HH11 ARG 31 2HH1 ARG 31 -0.666 4.864 8.496
228 HH12 ARG 31 1HH1 ARG 31 -2.378 4.742 8.793
229 HH21 ARG 31 2HH2 ARG 31 -3.216 7.422 6.808
230 HH22 ARG 31 1HH2 ARG 31 -3.777 6.160 7.862
231 H HIS 32 H HIS 32 4.875 6.206 3.699
232 HA HIS 32 HA HIS 32 7.447 5.788 4.994
233 HB2 HIS 32 1HB HIS 32 6.411 5.129 2.209
234 HB3 HIS 32 2HB HIS 32 8.020 4.717 2.770
235 HD1 HIS 32 1HD HIS 32 7.992 3.082 5.127
236 HD2 HIS 32 2HD HIS 32 4.755 3.166 2.458
237 HE1 HIS 32 1HE HIS 32 6.787 0.871 5.440
238 H SER 33 H SER 33 6.238 8.075 2.614
239 HA SER 33 HA SER 33 8.872 9.020 1.761
240 HB2 SER 33 1HB SER 33 6.109 10.147 1.198
241 HB3 SER 33 2HB SER 33 7.605 10.596 0.382
242 HG SER 33 HG SER 33 6.323 8.045 0.345
243 H THR 34 H THR 34 7.269 9.617 4.608
244 HA THR 34 HA THR 34 8.450 12.342 4.936
245 HB THR 34 HB THR 34 6.481 12.913 6.378
246 HG1 THR 34 1HG THR 34 5.157 10.860 4.974
247 HG21 THR 34 3HG2 THR 34 5.821 12.396 3.449
248 HG22 THR 34 1HG2 THR 34 6.670 13.813 4.099
249 HG23 THR 34 2HG2 THR 34 4.982 13.514 4.546
250 H GLU 35 H GLU 35 8.596 13.000 7.259
251 HA GLU 35 HA GLU 35 9.280 10.728 9.080
252 HB2 GLU 35 1HB GLU 35 10.997 13.172 8.478
253 HB3 GLU 35 2HB GLU 35 11.291 12.012 9.778
254 HG2 GLU 35 1HG GLU 35 11.509 10.187 8.090
255 HG3 GLU 35 2HG GLU 35 11.320 11.376 6.797
256 H LYS 36 H LYS 36 9.455 11.251 11.286
257 HA LYS 36 HA LYS 36 7.139 12.764 12.151
258 HB2 LYS 36 1HB LYS 36 7.884 10.455 12.923
259 HB3 LYS 36 2HB LYS 36 9.171 11.255 13.842
260 HG2 LYS 36 1HG LYS 36 7.407 12.603 15.020
261 HG3 LYS 36 2HG LYS 36 6.169 11.707 14.133
262 HD2 LYS 36 1HD LYS 36 8.225 10.528 16.056
263 HD3 LYS 36 2HD LYS 36 6.549 10.866 16.470
264 HE2 LYS 36 1HE LYS 36 7.470 8.863 14.353
265 HE3 LYS 36 2HE LYS 36 7.026 8.457 16.009
266 HZ1 LYS 36 3HZ LYS 36 5.180 9.653 14.013
267 HZ2 LYS 36 1HZ LYS 36 4.785 9.304 15.561
268 HZ3 LYS 36 2HZ LYS 36 5.161 8.105 14.523
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 1.050 -25.302 2.831
2 H2 GLY 1 2H GLY 1 -0.302 -25.185 3.745
3 H3 GLY 1 3H GLY 1 1.134 -24.666 4.340
4 HA2 GLY 1 1HA GLY 1 -0.205 -22.778 3.701
5 HA3 GLY 1 2HA GLY 1 1.258 -22.909 2.706
6 H SER 2 H SER 2 -0.297 -21.452 1.423
7 HA SER 2 HA SER 2 -1.445 -23.073 -0.772
8 HB2 SER 2 1HB SER 2 -3.402 -22.812 0.593
9 HB3 SER 2 2HB SER 2 -3.090 -21.086 0.832
10 HG SER 2 HG SER 2 -4.691 -21.595 -0.809
11 H SER 3 H SER 3 -1.300 -19.643 0.330
12 HA SER 3 HA SER 3 -0.898 -17.710 -0.743
13 HB2 SER 3 1HB SER 3 1.220 -19.250 -2.273
14 HB3 SER 3 2HB SER 3 1.103 -17.491 -2.106
15 HG SER 3 HG SER 3 1.512 -19.392 -0.022
16 H GLY 4 H GLY 4 -2.934 -19.550 -2.004
17 HA2 GLY 4 1HA GLY 4 -2.930 -19.179 -4.837
18 HA3 GLY 4 2HA GLY 4 -4.301 -19.647 -3.834
19 H SER 5 H SER 5 -3.684 -16.862 -2.406
20 HA SER 5 HA SER 5 -4.551 -14.918 -4.435
21 HB2 SER 5 1HB SER 5 -6.688 -15.851 -3.638
22 HB3 SER 5 2HB SER 5 -6.232 -15.491 -1.961
23 HG SER 5 HG SER 5 -7.596 -13.889 -3.033
24 H SER 6 H SER 6 -4.151 -12.782 -3.857
25 HA SER 6 HA SER 6 -2.275 -12.241 -1.651
26 HB2 SER 6 1HB SER 6 -2.295 -9.948 -2.636
27 HB3 SER 6 2HB SER 6 -1.840 -11.215 -3.789
28 HG SER 6 HG SER 6 -3.392 -9.701 -4.632
29 H GLY 7 H GLY 7 -5.688 -12.204 -2.068
30 HA2 GLY 7 1HA GLY 7 -7.399 -11.682 -0.618
31 HA3 GLY 7 2HA GLY 7 -6.210 -11.171 0.580
32 H LYS 8 H LYS 8 -4.968 -9.080 -0.901
33 HA LYS 8 HA LYS 8 -7.147 -7.084 -1.339
34 HB2 LYS 8 1HB LYS 8 -4.598 -6.786 0.277
35 HB3 LYS 8 2HB LYS 8 -5.448 -5.408 -0.394
36 HG2 LYS 8 1HG LYS 8 -6.193 -5.461 1.776
37 HG3 LYS 8 2HG LYS 8 -7.524 -6.131 0.854
38 HD2 LYS 8 1HD LYS 8 -7.200 -7.262 2.996
39 HD3 LYS 8 2HD LYS 8 -6.972 -8.392 1.672
40 HE2 LYS 8 1HE LYS 8 -4.513 -8.207 1.900
41 HE3 LYS 8 2HE LYS 8 -4.715 -6.977 3.159
42 HZ1 LYS 8 3HZ LYS 8 -4.317 -9.173 4.117
43 HZ2 LYS 8 1HZ LYS 8 -5.631 -9.798 3.381
44 HZ3 LYS 8 2HZ LYS 8 -5.805 -8.659 4.541
45 HA PRO 9 HA PRO 9 -5.137 -6.454 -5.220
46 HB2 PRO 9 1HB PRO 9 -6.133 -4.032 -5.994
47 HB3 PRO 9 2HB PRO 9 -7.097 -5.542 -5.927
48 HG2 PRO 9 1HG PRO 9 -6.854 -3.408 -3.782
49 HG3 PRO 9 2HG PRO 9 -8.361 -4.081 -4.496
50 HD2 PRO 9 1HD PRO 9 -7.369 -5.025 -2.161
51 HD3 PRO 9 2HD PRO 9 -7.996 -6.173 -3.393
52 H PHE 10 H PHE 10 -4.842 -3.684 -2.911
53 HA PHE 10 HA PHE 10 -2.305 -2.846 -4.270
54 HB2 PHE 10 1HB PHE 10 -4.142 -1.190 -2.547
55 HB3 PHE 10 2HB PHE 10 -2.775 -0.647 -3.488
56 HD1 PHE 10 1HD PHE 10 -2.780 -1.117 -6.048
57 HD2 PHE 10 2HD PHE 10 -6.304 -1.114 -3.574
58 HE1 PHE 10 1HE PHE 10 -4.188 -0.910 -8.064
59 HE2 PHE 10 2HE PHE 10 -7.728 -0.908 -5.607
60 HZ PHE 10 HZ PHE 10 -6.673 -0.797 -7.857
61 H LYS 11 H LYS 11 -1.013 -4.164 -3.406
62 HA LYS 11 HA LYS 11 -0.343 -4.133 -0.513
63 HB2 LYS 11 1HB LYS 11 -0.393 -6.306 -1.504
64 HB3 LYS 11 2HB LYS 11 0.515 -5.772 -2.912
65 HG2 LYS 11 1HG LYS 11 1.878 -7.180 -1.539
66 HG3 LYS 11 2HG LYS 11 2.558 -5.564 -1.611
67 HD2 LYS 11 1HD LYS 11 1.841 -5.150 0.711
68 HD3 LYS 11 2HD LYS 11 0.907 -6.663 0.709
69 HE2 LYS 11 1HE LYS 11 2.951 -7.195 1.817
70 HE3 LYS 11 2HE LYS 11 3.060 -7.907 0.210
71 HZ1 LYS 11 3HZ LYS 11 4.327 -5.373 1.101
72 HZ2 LYS 11 1HZ LYS 11 4.346 -5.855 -0.443
73 HZ3 LYS 11 2HZ LYS 11 5.113 -6.757 0.701
74 H CYS 12 H CYS 12 1.012 -2.814 0.244
75 HA CYS 12 HA CYS 12 2.581 -0.823 -0.968
76 HB2 CYS 12 1HB CYS 12 1.894 -0.834 1.341
77 HB3 CYS 12 2HB CYS 12 2.783 -2.327 1.654
78 H SER 13 H SER 13 4.673 -0.613 -1.551
79 HA SER 13 HA SER 13 6.071 -2.985 -2.549
80 HB2 SER 13 1HB SER 13 6.868 -0.050 -2.624
81 HB3 SER 13 2HB SER 13 7.619 -1.368 -3.544
82 HG SER 13 HG SER 13 6.080 -0.230 -4.802
83 H LEU 14 H LEU 14 6.099 -1.419 0.436
84 HA LEU 14 HA LEU 14 9.003 -1.996 0.986
85 HB2 LEU 14 1HB LEU 14 7.173 0.077 2.249
86 HB3 LEU 14 2HB LEU 14 8.899 -0.089 2.509
87 HG LEU 14 HG LEU 14 7.638 0.642 -0.173
88 HD11 LEU 14 1HD1 LEU 14 8.959 2.387 1.926
89 HD12 LEU 14 2HD1 LEU 14 7.252 2.386 1.418
90 HD13 LEU 14 3HD1 LEU 14 8.502 2.910 0.282
91 HD21 LEU 14 3HD2 LEU 14 9.933 1.302 -0.804
92 HD22 LEU 14 1HD2 LEU 14 9.844 -0.423 -0.435
93 HD23 LEU 14 2HD2 LEU 14 10.540 0.700 0.756
94 H CYS 15 H CYS 15 5.744 -2.031 2.346
95 HA CYS 15 HA CYS 15 6.642 -3.954 4.448
96 HB2 CYS 15 1HB CYS 15 5.515 -2.840 6.146
97 HB3 CYS 15 2HB CYS 15 6.372 -1.597 5.280
98 H GLU 16 H GLU 16 4.506 -4.723 5.637
99 HA GLU 16 HA GLU 16 3.136 -6.307 3.565
100 HB2 GLU 16 1HB GLU 16 4.283 -7.173 5.747
101 HB3 GLU 16 2HB GLU 16 2.798 -6.669 6.556
102 HG2 GLU 16 1HG GLU 16 1.502 -8.228 5.107
103 HG3 GLU 16 2HG GLU 16 2.965 -8.610 4.200
104 H TYR 17 H TYR 17 2.452 -3.352 4.485
105 HA TYR 17 HA TYR 17 -0.365 -3.436 5.099
106 HB2 TYR 17 1HB TYR 17 1.046 -1.473 5.393
107 HB3 TYR 17 2HB TYR 17 1.408 -1.407 3.690
108 HD1 TYR 17 1HD TYR 17 -0.362 -0.714 2.051
109 HD2 TYR 17 2HD TYR 17 -1.062 -0.580 6.297
110 HE1 TYR 17 1HE TYR 17 -2.326 0.786 1.676
111 HE2 TYR 17 2HE TYR 17 -3.008 0.933 5.923
112 HH TYR 17 HH TYR 17 -4.314 2.012 4.381
113 H ALA 18 H ALA 18 -2.131 -3.699 3.886
114 HA ALA 18 HA ALA 18 -2.001 -3.122 1.069
115 HB1 ALA 18 1HB ALA 18 -2.906 -5.225 0.253
116 HB2 ALA 18 2HB ALA 18 -1.387 -5.537 1.127
117 HB3 ALA 18 3HB ALA 18 -2.937 -5.884 1.917
118 H THR 19 H THR 19 -3.981 -2.751 0.062
119 HA THR 19 HA THR 19 -6.432 -2.582 1.749
120 HB THR 19 HB THR 19 -5.145 -0.508 2.111
121 HG1 THR 19 1HG THR 19 -7.256 -0.185 2.213
122 HG21 THR 19 3HG2 THR 19 -3.906 -0.450 -0.028
123 HG22 THR 19 1HG2 THR 19 -4.692 1.048 0.410
124 HG23 THR 19 2HG2 THR 19 -5.408 0.023 -0.857
125 H ARG 20 H ARG 20 -8.309 -1.815 0.518
126 HA ARG 20 HA ARG 20 -8.495 -3.176 -2.109
127 HB2 ARG 20 1HB ARG 20 -10.457 -2.429 0.052
128 HB3 ARG 20 2HB ARG 20 -11.053 -2.735 -1.574
129 HG2 ARG 20 1HG ARG 20 -9.216 -4.720 -0.201
130 HG3 ARG 20 2HG ARG 20 -10.963 -4.725 0.092
131 HD2 ARG 20 1HD ARG 20 -11.448 -5.059 -2.253
132 HD3 ARG 20 2HD ARG 20 -9.746 -4.919 -2.699
133 HE ARG 20 HE ARG 20 -9.722 -7.014 -0.915
134 HH11 ARG 20 2HH1 ARG 20 -11.690 -6.481 -3.773
135 HH12 ARG 20 1HH1 ARG 20 -11.760 -8.182 -4.142
136 HH21 ARG 20 2HH2 ARG 20 -9.712 -9.129 -1.548
137 HH22 ARG 20 1HH2 ARG 20 -10.722 -9.647 -2.875
138 H SER 21 H SER 21 -8.009 -0.021 -1.167
139 HA SER 21 HA SER 21 -8.994 0.949 -3.833
140 HB2 SER 21 1HB SER 21 -9.079 2.495 -1.224
141 HB3 SER 21 2HB SER 21 -9.551 3.101 -2.814
142 HG SER 21 HG SER 21 -11.232 1.573 -2.862
143 H LYS 22 H LYS 22 -7.500 1.908 -5.066
144 HA LYS 22 HA LYS 22 -4.758 1.953 -4.367
145 HB2 LYS 22 1HB LYS 22 -5.782 1.837 -6.662
146 HB3 LYS 22 2HB LYS 22 -6.140 3.558 -6.560
147 HG2 LYS 22 1HG LYS 22 -3.667 3.990 -6.258
148 HG3 LYS 22 2HG LYS 22 -3.374 2.258 -6.462
149 HD2 LYS 22 1HD LYS 22 -4.662 4.099 -8.530
150 HD3 LYS 22 2HD LYS 22 -2.962 3.614 -8.514
151 HE2 LYS 22 1HE LYS 22 -3.623 1.234 -8.743
152 HE3 LYS 22 2HE LYS 22 -5.328 1.708 -8.786
153 HZ1 LYS 22 3HZ LYS 22 -4.439 1.412 -11.027
154 HZ2 LYS 22 1HZ LYS 22 -3.282 2.533 -10.779
155 HZ3 LYS 22 2HZ LYS 22 -4.854 2.975 -10.817
156 H SER 23 H SER 23 -7.166 4.503 -4.070
157 HA SER 23 HA SER 23 -5.481 6.721 -3.453
158 HB2 SER 23 1HB SER 23 -7.584 7.599 -2.372
159 HB3 SER 23 2HB SER 23 -7.767 7.068 -4.053
160 HG SER 23 HG SER 23 -9.455 6.283 -2.681
161 H ASN 24 H ASN 24 -6.747 4.102 -1.371
162 HA ASN 24 HA ASN 24 -5.841 5.280 1.135
163 HB2 ASN 24 1HB ASN 24 -6.530 2.421 0.343
164 HB3 ASN 24 2HB ASN 24 -6.116 2.912 1.974
165 HD21 ASN 24 1HD2 ASN 24 -8.430 1.608 1.433
166 HD22 ASN 24 2HD2 ASN 24 -9.787 2.705 1.703
167 H LEU 25 H LEU 25 -4.463 2.727 -1.046
168 HA LEU 25 HA LEU 25 -2.065 2.488 0.413
169 HB2 LEU 25 1HB LEU 25 -2.687 0.836 -1.299
170 HB3 LEU 25 2HB LEU 25 -2.488 2.037 -2.571
171 HG LEU 25 HG LEU 25 -0.132 2.221 -2.095
172 HD11 LEU 25 1HD1 LEU 25 -0.500 0.116 0.056
173 HD12 LEU 25 2HD1 LEU 25 -0.056 1.819 0.338
174 HD13 LEU 25 3HD1 LEU 25 1.057 0.758 -0.501
175 HD21 LEU 25 3HD2 LEU 25 -0.797 0.454 -3.651
176 HD22 LEU 25 1HD2 LEU 25 -0.817 -0.704 -2.291
177 HD23 LEU 25 2HD2 LEU 25 0.700 0.063 -2.782
178 H LYS 26 H LYS 26 -2.730 4.615 -2.367
179 HA LYS 26 HA LYS 26 -0.272 5.967 -2.563
180 HB2 LYS 26 1HB LYS 26 -2.127 6.234 -4.103
181 HB3 LYS 26 2HB LYS 26 -3.120 7.016 -2.891
182 HG2 LYS 26 1HG LYS 26 -0.457 8.207 -3.751
183 HG3 LYS 26 2HG LYS 26 -1.886 8.393 -4.757
184 HD2 LYS 26 1HD LYS 26 -1.596 9.459 -1.916
185 HD3 LYS 26 2HD LYS 26 -1.520 10.373 -3.417
186 HE2 LYS 26 1HE LYS 26 -3.876 9.665 -3.934
187 HE3 LYS 26 2HE LYS 26 -3.956 8.872 -2.352
188 HZ1 LYS 26 3HZ LYS 26 -3.485 11.775 -2.783
189 HZ2 LYS 26 1HZ LYS 26 -3.551 11.049 -1.320
190 HZ3 LYS 26 2HZ LYS 26 -4.879 11.114 -2.264
191 H ALA 27 H ALA 27 -2.804 6.495 -0.134
192 HA ALA 27 HA ALA 27 -1.506 8.821 1.066
193 HB1 ALA 27 1HB ALA 27 -3.244 8.566 2.781
194 HB2 ALA 27 2HB ALA 27 -3.957 8.433 1.160
195 HB3 ALA 27 3HB ALA 27 -3.685 6.974 2.137
196 H HIS 28 H HIS 28 -1.582 5.307 1.754
197 HA HIS 28 HA HIS 28 0.032 5.344 4.123
198 HB2 HIS 28 1HB HIS 28 -1.331 3.480 3.663
199 HB3 HIS 28 2HB HIS 28 -0.648 3.250 2.061
200 HD1 HIS 28 1HD HIS 28 0.208 2.602 5.724
201 HD2 HIS 28 2HD HIS 28 1.724 2.067 1.836
202 HE1 HIS 28 1HE HIS 28 2.204 1.063 5.976
203 H MET 29 H MET 29 0.954 5.004 0.642
204 HA MET 29 HA MET 29 3.759 4.718 1.112
205 HB2 MET 29 1HB MET 29 2.319 5.854 -1.321
206 HB3 MET 29 2HB MET 29 4.004 5.332 -1.267
207 HG2 MET 29 1HG MET 29 1.532 3.608 -0.971
208 HG3 MET 29 2HG MET 29 2.684 3.571 -2.266
209 HE1 MET 29 3HE MET 29 5.052 2.514 -2.122
210 HE2 MET 29 1HE MET 29 5.514 3.535 -0.731
211 HE3 MET 29 2HE MET 29 5.731 1.766 -0.656
212 H ASN 30 H ASN 30 1.766 7.601 1.055
213 HA ASN 30 HA ASN 30 3.998 9.479 1.053
214 HB2 ASN 30 1HB ASN 30 1.024 9.693 1.539
215 HB3 ASN 30 2HB ASN 30 2.084 10.987 2.075
216 HD21 ASN 30 1HD2 ASN 30 1.050 9.184 -0.851
217 HD22 ASN 30 2HD2 ASN 30 1.559 10.468 -1.942
218 H ARG 31 H ARG 31 2.611 7.457 3.577
219 HA ARG 31 HA ARG 31 3.848 8.959 5.787
220 HB2 ARG 31 1HB ARG 31 2.908 6.070 5.768
221 HB3 ARG 31 2HB ARG 31 3.323 7.048 7.166
222 HG2 ARG 31 1HG ARG 31 1.450 8.637 6.600
223 HG3 ARG 31 2HG ARG 31 0.991 7.562 5.275
224 HD2 ARG 31 1HD ARG 31 -0.445 7.070 7.100
225 HD3 ARG 31 2HD ARG 31 0.677 5.708 6.918
226 HE ARG 31 HE ARG 31 1.746 7.570 8.814
227 HH11 ARG 31 2HH1 ARG 31 -0.900 5.278 8.655
228 HH12 ARG 31 1HH1 ARG 31 -0.903 5.026 10.380
229 HH21 ARG 31 2HH2 ARG 31 1.690 7.197 11.003
230 HH22 ARG 31 1HH2 ARG 31 0.524 6.091 11.668
231 H HIS 32 H HIS 32 4.815 6.269 3.681
232 HA HIS 32 HA HIS 32 7.343 5.793 5.023
233 HB2 HIS 32 1HB HIS 32 6.313 5.121 2.239
234 HB3 HIS 32 2HB HIS 32 7.921 4.698 2.793
235 HD1 HIS 32 1HD HIS 32 7.873 3.119 5.206
236 HD2 HIS 32 2HD HIS 32 4.693 3.133 2.467
237 HE1 HIS 32 1HE HIS 32 6.690 0.898 5.519
238 H SER 33 H SER 33 6.268 8.197 2.738
239 HA SER 33 HA SER 33 8.830 8.877 1.616
240 HB2 SER 33 1HB SER 33 6.520 9.128 0.588
241 HB3 SER 33 2HB SER 33 6.326 10.584 1.571
242 HG SER 33 HG SER 33 8.255 10.035 -0.467
243 H THR 34 H THR 34 9.705 8.910 3.877
244 HA THR 34 HA THR 34 10.213 11.697 4.761
245 HB THR 34 HB THR 34 8.267 10.990 6.056
246 HG1 THR 34 1HG THR 34 9.125 11.429 8.067
247 HG21 THR 34 3HG2 THR 34 8.641 8.529 6.097
248 HG22 THR 34 1HG2 THR 34 8.337 9.207 7.699
249 HG23 THR 34 2HG2 THR 34 9.993 8.766 7.230
250 H GLU 35 H GLU 35 11.106 8.255 4.822
251 HA GLU 35 HA GLU 35 13.660 8.766 6.134
252 HB2 GLU 35 1HB GLU 35 12.146 6.723 6.376
253 HB3 GLU 35 2HB GLU 35 12.713 6.213 4.785
254 HG2 GLU 35 1HG GLU 35 15.015 6.037 5.646
255 HG3 GLU 35 2HG GLU 35 14.529 6.770 7.178
256 H LYS 36 H LYS 36 12.710 9.472 3.150
257 HA LYS 36 HA LYS 36 15.381 9.136 1.841
258 HB2 LYS 36 1HB LYS 36 12.635 8.830 0.550
259 HB3 LYS 36 2HB LYS 36 14.154 8.874 -0.326
260 HG2 LYS 36 1HG LYS 36 13.277 6.735 1.665
261 HG3 LYS 36 2HG LYS 36 13.307 6.586 -0.084
262 HD2 LYS 36 1HD LYS 36 15.744 6.879 1.724
263 HD3 LYS 36 2HD LYS 36 15.187 5.409 0.927
264 HE2 LYS 36 1HE LYS 36 15.541 6.483 -1.296
265 HE3 LYS 36 2HE LYS 36 16.139 7.938 -0.488
266 HZ1 LYS 36 3HZ LYS 36 17.967 6.502 -1.174
267 HZ2 LYS 36 1HZ LYS 36 17.395 5.251 -0.299
268 HZ3 LYS 36 2HZ LYS 36 17.943 6.595 0.452
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 5.728 -14.635 -11.239
2 H2 GLY 1 2H GLY 1 4.160 -14.468 -11.679
3 H3 GLY 1 3H GLY 1 5.346 -14.323 -12.803
4 HA2 GLY 1 1HA GLY 1 4.285 -16.459 -13.054
5 HA3 GLY 1 2HA GLY 1 5.969 -16.642 -12.527
6 H SER 2 H SER 2 3.159 -18.064 -12.068
7 HA SER 2 HA SER 2 1.925 -19.026 -10.431
8 HB2 SER 2 1HB SER 2 4.586 -19.309 -9.003
9 HB3 SER 2 2HB SER 2 3.112 -20.243 -8.684
10 HG SER 2 HG SER 2 4.566 -21.346 -10.089
11 H SER 3 H SER 3 1.876 -16.233 -10.340
12 HA SER 3 HA SER 3 2.391 -15.123 -7.783
13 HB2 SER 3 1HB SER 3 0.539 -14.027 -9.922
14 HB3 SER 3 2HB SER 3 1.425 -13.118 -8.687
15 HG SER 3 HG SER 3 2.490 -13.011 -10.682
16 H GLY 4 H GLY 4 -0.444 -16.811 -8.894
17 HA2 GLY 4 1HA GLY 4 -2.381 -17.429 -7.791
18 HA3 GLY 4 2HA GLY 4 -1.787 -16.647 -6.331
19 H SER 5 H SER 5 -4.300 -16.402 -6.510
20 HA SER 5 HA SER 5 -4.987 -13.716 -7.642
21 HB2 SER 5 1HB SER 5 -7.235 -14.625 -8.066
22 HB3 SER 5 2HB SER 5 -5.976 -15.502 -8.949
23 HG SER 5 HG SER 5 -7.474 -16.925 -7.928
24 H SER 6 H SER 6 -4.507 -15.171 -4.721
25 HA SER 6 HA SER 6 -6.861 -14.116 -3.300
26 HB2 SER 6 1HB SER 6 -5.781 -16.352 -2.831
27 HB3 SER 6 2HB SER 6 -4.419 -15.466 -2.117
28 HG SER 6 HG SER 6 -6.048 -16.088 -0.579
29 H GLY 7 H GLY 7 -6.427 -12.983 -1.178
30 HA2 GLY 7 1HA GLY 7 -5.577 -11.239 0.097
31 HA3 GLY 7 2HA GLY 7 -4.174 -11.154 -0.957
32 H LYS 8 H LYS 8 -4.632 -8.852 -0.313
33 HA LYS 8 HA LYS 8 -6.862 -7.444 -1.574
34 HB2 LYS 8 1HB LYS 8 -4.563 -6.703 0.229
35 HB3 LYS 8 2HB LYS 8 -5.385 -5.428 -0.655
36 HG2 LYS 8 1HG LYS 8 -6.343 -5.555 1.514
37 HG3 LYS 8 2HG LYS 8 -7.549 -6.095 0.344
38 HD2 LYS 8 1HD LYS 8 -7.176 -8.437 0.976
39 HD3 LYS 8 2HD LYS 8 -5.824 -7.964 2.036
40 HE2 LYS 8 1HE LYS 8 -7.389 -6.616 3.411
41 HE3 LYS 8 2HE LYS 8 -8.730 -7.086 2.358
42 HZ1 LYS 8 3HZ LYS 8 -7.113 -8.969 3.998
43 HZ2 LYS 8 1HZ LYS 8 -8.356 -9.403 3.026
44 HZ3 LYS 8 2HZ LYS 8 -8.630 -8.482 4.342
45 HA PRO 9 HA PRO 9 -5.034 -6.398 -5.410
46 HB2 PRO 9 1HB PRO 9 -6.188 -4.005 -6.056
47 HB3 PRO 9 2HB PRO 9 -7.079 -5.557 -6.003
48 HG2 PRO 9 1HG PRO 9 -6.833 -3.495 -3.784
49 HG3 PRO 9 2HG PRO 9 -8.344 -4.199 -4.465
50 HD2 PRO 9 1HD PRO 9 -7.232 -5.186 -2.217
51 HD3 PRO 9 2HD PRO 9 -7.854 -6.315 -3.462
52 H PHE 10 H PHE 10 -4.812 -3.719 -2.992
53 HA PHE 10 HA PHE 10 -2.270 -2.791 -4.286
54 HB2 PHE 10 1HB PHE 10 -4.163 -1.171 -2.594
55 HB3 PHE 10 2HB PHE 10 -2.782 -0.608 -3.497
56 HD1 PHE 10 1HD PHE 10 -2.735 -0.965 -6.055
57 HD2 PHE 10 2HD PHE 10 -6.312 -1.180 -3.669
58 HE1 PHE 10 1HE PHE 10 -4.103 -0.737 -8.098
59 HE2 PHE 10 2HE PHE 10 -7.696 -0.948 -5.723
60 HZ PHE 10 HZ PHE 10 -6.596 -0.724 -7.945
61 H LYS 11 H LYS 11 -0.986 -4.107 -3.385
62 HA LYS 11 HA LYS 11 -0.528 -4.126 -0.441
63 HB2 LYS 11 1HB LYS 11 -0.792 -6.245 -1.819
64 HB3 LYS 11 2HB LYS 11 0.719 -5.852 -2.620
65 HG2 LYS 11 1HG LYS 11 0.334 -6.466 0.349
66 HG3 LYS 11 2HG LYS 11 0.973 -7.550 -0.884
67 HD2 LYS 11 1HD LYS 11 2.802 -5.756 -1.264
68 HD3 LYS 11 2HD LYS 11 2.252 -5.087 0.295
69 HE2 LYS 11 1HE LYS 11 2.706 -7.244 1.390
70 HE3 LYS 11 2HE LYS 11 3.239 -7.927 -0.157
71 HZ1 LYS 11 3HZ LYS 11 5.137 -7.121 1.145
72 HZ2 LYS 11 1HZ LYS 11 4.492 -5.608 1.214
73 HZ3 LYS 11 2HZ LYS 11 4.987 -6.215 -0.214
74 H CYS 12 H CYS 12 0.872 -2.807 0.334
75 HA CYS 12 HA CYS 12 2.461 -0.873 -0.898
76 HB2 CYS 12 1HB CYS 12 1.729 -0.903 1.427
77 HB3 CYS 12 2HB CYS 12 2.734 -2.321 1.754
78 H SER 13 H SER 13 4.438 -0.772 -1.814
79 HA SER 13 HA SER 13 5.870 -3.229 -2.455
80 HB2 SER 13 1HB SER 13 7.354 -1.722 -3.742
81 HB3 SER 13 2HB SER 13 5.639 -1.529 -4.138
82 HG SER 13 HG SER 13 6.709 0.489 -3.867
83 H LEU 14 H LEU 14 5.895 -1.434 0.304
84 HA LEU 14 HA LEU 14 8.829 -1.727 0.858
85 HB2 LEU 14 1HB LEU 14 6.818 0.213 2.048
86 HB3 LEU 14 2HB LEU 14 8.551 0.241 2.268
87 HG LEU 14 HG LEU 14 7.192 0.655 -0.441
88 HD11 LEU 14 1HD1 LEU 14 7.642 3.023 -0.193
89 HD12 LEU 14 2HD1 LEU 14 8.266 2.745 1.457
90 HD13 LEU 14 3HD1 LEU 14 6.554 2.434 1.058
91 HD21 LEU 14 3HD2 LEU 14 9.381 1.570 -1.117
92 HD22 LEU 14 1HD2 LEU 14 9.522 -0.119 -0.613
93 HD23 LEU 14 2HD2 LEU 14 10.046 1.178 0.488
94 H CYS 15 H CYS 15 5.594 -2.040 2.238
95 HA CYS 15 HA CYS 15 6.649 -3.858 4.357
96 HB2 CYS 15 1HB CYS 15 5.617 -2.727 6.088
97 HB3 CYS 15 2HB CYS 15 6.337 -1.462 5.123
98 H GLU 16 H GLU 16 4.475 -4.529 5.698
99 HA GLU 16 HA GLU 16 3.084 -6.287 3.773
100 HB2 GLU 16 1HB GLU 16 4.313 -7.005 5.964
101 HB3 GLU 16 2HB GLU 16 2.858 -6.447 6.790
102 HG2 GLU 16 1HG GLU 16 1.513 -8.103 5.506
103 HG3 GLU 16 2HG GLU 16 2.939 -8.544 4.567
104 H TYR 17 H TYR 17 2.424 -3.285 4.558
105 HA TYR 17 HA TYR 17 -0.400 -3.379 5.207
106 HB2 TYR 17 1HB TYR 17 0.981 -1.399 5.457
107 HB3 TYR 17 2HB TYR 17 1.324 -1.359 3.747
108 HD1 TYR 17 1HD TYR 17 -0.453 -0.721 2.107
109 HD2 TYR 17 2HD TYR 17 -1.127 -0.494 6.353
110 HE1 TYR 17 1HE TYR 17 -2.405 0.792 1.715
111 HE2 TYR 17 2HE TYR 17 -3.069 1.016 5.959
112 HH TYR 17 HH TYR 17 -4.386 2.062 4.402
113 H ALA 18 H ALA 18 -2.194 -3.531 3.965
114 HA ALA 18 HA ALA 18 -2.019 -3.096 1.122
115 HB1 ALA 18 1HB ALA 18 -2.900 -5.186 0.360
116 HB2 ALA 18 2HB ALA 18 -1.491 -5.557 1.383
117 HB3 ALA 18 3HB ALA 18 -3.126 -5.776 2.035
118 H THR 19 H THR 19 -4.005 -2.739 0.083
119 HA THR 19 HA THR 19 -6.476 -2.534 1.730
120 HB THR 19 HB THR 19 -5.361 -0.408 2.071
121 HG1 THR 19 1HG THR 19 -7.075 0.732 1.637
122 HG21 THR 19 3HG2 THR 19 -5.305 -0.065 -0.941
123 HG22 THR 19 1HG2 THR 19 -3.891 -0.325 0.110
124 HG23 THR 19 2HG2 THR 19 -4.869 1.122 0.301
125 H ARG 20 H ARG 20 -8.355 -1.981 0.497
126 HA ARG 20 HA ARG 20 -8.506 -3.294 -2.152
127 HB2 ARG 20 1HB ARG 20 -10.548 -2.279 -0.158
128 HB3 ARG 20 2HB ARG 20 -11.019 -2.753 -1.782
129 HG2 ARG 20 1HG ARG 20 -9.496 -4.616 0.087
130 HG3 ARG 20 2HG ARG 20 -11.250 -4.536 0.045
131 HD2 ARG 20 1HD ARG 20 -9.542 -5.207 -2.386
132 HD3 ARG 20 2HD ARG 20 -10.268 -6.401 -1.306
133 HE ARG 20 HE ARG 20 -12.315 -4.627 -2.191
134 HH11 ARG 20 2HH1 ARG 20 -10.363 -7.224 -3.516
135 HH12 ARG 20 1HH1 ARG 20 -11.526 -7.572 -4.765
136 HH21 ARG 20 2HH2 ARG 20 -13.751 -5.139 -3.800
137 HH22 ARG 20 1HH2 ARG 20 -13.395 -6.432 -4.905
138 H SER 21 H SER 21 -7.987 -0.115 -1.070
139 HA SER 21 HA SER 21 -8.959 0.993 -3.692
140 HB2 SER 21 1HB SER 21 -9.007 2.311 -0.961
141 HB3 SER 21 2HB SER 21 -9.459 3.079 -2.498
142 HG SER 21 HG SER 21 -11.284 2.245 -1.366
143 H LYS 22 H LYS 22 -7.444 1.826 -4.946
144 HA LYS 22 HA LYS 22 -4.705 2.037 -4.311
145 HB2 LYS 22 1HB LYS 22 -5.790 1.880 -6.586
146 HB3 LYS 22 2HB LYS 22 -6.212 3.588 -6.465
147 HG2 LYS 22 1HG LYS 22 -3.745 4.107 -6.207
148 HG3 LYS 22 2HG LYS 22 -3.398 2.392 -6.462
149 HD2 LYS 22 1HD LYS 22 -4.808 4.243 -8.443
150 HD3 LYS 22 2HD LYS 22 -3.093 3.808 -8.490
151 HE2 LYS 22 1HE LYS 22 -3.693 1.418 -8.768
152 HE3 LYS 22 2HE LYS 22 -5.411 1.839 -8.742
153 HZ1 LYS 22 3HZ LYS 22 -5.044 3.175 -10.751
154 HZ2 LYS 22 1HZ LYS 22 -4.589 1.631 -11.017
155 HZ3 LYS 22 2HZ LYS 22 -3.459 2.781 -10.776
156 H SER 23 H SER 23 -7.219 4.501 -4.063
157 HA SER 23 HA SER 23 -5.703 6.829 -3.511
158 HB2 SER 23 1HB SER 23 -7.795 7.578 -2.381
159 HB3 SER 23 2HB SER 23 -8.101 6.844 -3.966
160 HG SER 23 HG SER 23 -9.549 6.022 -2.426
161 H ASN 24 H ASN 24 -6.550 4.112 -1.405
162 HA ASN 24 HA ASN 24 -5.685 5.501 1.053
163 HB2 ASN 24 1HB ASN 24 -6.911 2.791 0.431
164 HB3 ASN 24 2HB ASN 24 -6.206 3.157 2.004
165 HD21 ASN 24 1HD2 ASN 24 -8.473 4.881 -0.307
166 HD22 ASN 24 2HD2 ASN 24 -9.584 5.283 0.988
167 H LEU 25 H LEU 25 -4.467 2.803 -1.051
168 HA LEU 25 HA LEU 25 -2.078 2.501 0.443
169 HB2 LEU 25 1HB LEU 25 -2.666 0.841 -1.242
170 HB3 LEU 25 2HB LEU 25 -2.500 2.024 -2.538
171 HG LEU 25 HG LEU 25 -0.136 2.218 -2.080
172 HD11 LEU 25 1HD1 LEU 25 1.053 0.797 -0.448
173 HD12 LEU 25 2HD1 LEU 25 -0.505 0.145 0.105
174 HD13 LEU 25 3HD1 LEU 25 -0.081 1.853 0.371
175 HD21 LEU 25 3HD2 LEU 25 -0.834 -0.706 -2.232
176 HD22 LEU 25 1HD2 LEU 25 0.699 0.042 -2.715
177 HD23 LEU 25 2HD2 LEU 25 -0.781 0.438 -3.607
178 H LYS 26 H LYS 26 -2.726 4.624 -2.331
179 HA LYS 26 HA LYS 26 -0.271 5.972 -2.603
180 HB2 LYS 26 1HB LYS 26 -2.301 6.331 -3.999
181 HB3 LYS 26 2HB LYS 26 -3.109 7.088 -2.632
182 HG2 LYS 26 1HG LYS 26 -1.102 8.833 -2.741
183 HG3 LYS 26 2HG LYS 26 -0.849 8.139 -4.344
184 HD2 LYS 26 1HD LYS 26 -2.258 10.006 -4.681
185 HD3 LYS 26 2HD LYS 26 -3.350 8.604 -4.760
186 HE2 LYS 26 1HE LYS 26 -4.050 9.002 -2.420
187 HE3 LYS 26 2HE LYS 26 -2.896 10.334 -2.283
188 HZ1 LYS 26 3HZ LYS 26 -5.211 10.295 -4.150
189 HZ2 LYS 26 1HZ LYS 26 -4.146 11.522 -3.996
190 HZ3 LYS 26 2HZ LYS 26 -5.137 11.145 -2.758
191 H ALA 27 H ALA 27 -2.806 6.574 -0.220
192 HA ALA 27 HA ALA 27 -1.511 8.826 1.081
193 HB1 ALA 27 1HB ALA 27 -3.298 8.581 2.739
194 HB2 ALA 27 2HB ALA 27 -3.960 8.466 1.096
195 HB3 ALA 27 3HB ALA 27 -3.740 6.997 2.074
196 H HIS 28 H HIS 28 -1.580 5.307 1.742
197 HA HIS 28 HA HIS 28 -0.009 5.380 4.156
198 HB2 HIS 28 1HB HIS 28 -1.415 3.537 3.731
199 HB3 HIS 28 2HB HIS 28 -0.720 3.248 2.141
200 HD1 HIS 28 1HD HIS 28 0.129 2.738 5.845
201 HD2 HIS 28 2HD HIS 28 1.597 1.960 1.983
202 HE1 HIS 28 1HE HIS 28 2.105 1.178 6.158
203 H MET 29 H MET 29 0.874 5.022 0.695
204 HA MET 29 HA MET 29 3.672 4.564 1.052
205 HB2 MET 29 1HB MET 29 2.226 5.905 -1.260
206 HB3 MET 29 2HB MET 29 3.860 5.257 -1.315
207 HG2 MET 29 1HG MET 29 1.863 3.236 -0.433
208 HG3 MET 29 2HG MET 29 1.499 3.966 -1.957
209 HE1 MET 29 3HE MET 29 5.091 3.131 -0.577
210 HE2 MET 29 1HE MET 29 3.922 1.938 0.029
211 HE3 MET 29 2HE MET 29 5.180 1.437 -1.126
212 H ASN 30 H ASN 30 1.800 7.593 0.957
213 HA ASN 30 HA ASN 30 4.063 9.372 0.928
214 HB2 ASN 30 1HB ASN 30 1.138 9.635 1.639
215 HB3 ASN 30 2HB ASN 30 2.259 10.899 2.127
216 HD21 ASN 30 1HD2 ASN 30 1.066 9.143 -0.787
217 HD22 ASN 30 2HD2 ASN 30 1.501 10.463 -1.868
218 H ARG 31 H ARG 31 2.563 7.563 3.609
219 HA ARG 31 HA ARG 31 3.946 8.966 5.743
220 HB2 ARG 31 1HB ARG 31 2.990 6.075 5.762
221 HB3 ARG 31 2HB ARG 31 3.337 7.094 7.154
222 HG2 ARG 31 1HG ARG 31 1.448 8.591 6.567
223 HG3 ARG 31 2HG ARG 31 1.080 7.568 5.166
224 HD2 ARG 31 1HD ARG 31 0.753 5.625 6.696
225 HD3 ARG 31 2HD ARG 31 0.992 6.717 8.078
226 HE ARG 31 HE ARG 31 -1.033 7.799 6.382
227 HH11 ARG 31 2HH1 ARG 31 -0.667 5.126 8.619
228 HH12 ARG 31 1HH1 ARG 31 -2.375 5.053 8.954
229 HH21 ARG 31 2HH2 ARG 31 -3.200 7.662 6.871
230 HH22 ARG 31 1HH2 ARG 31 -3.764 6.456 7.988
231 H HIS 32 H HIS 32 4.863 6.261 3.655
232 HA HIS 32 HA HIS 32 7.409 5.775 5.010
233 HB2 HIS 32 1HB HIS 32 6.381 5.034 2.241
234 HB3 HIS 32 2HB HIS 32 7.958 4.594 2.858
235 HD1 HIS 32 1HD HIS 32 7.865 2.996 5.201
236 HD2 HIS 32 2HD HIS 32 4.597 3.177 2.565
237 HE1 HIS 32 1HE HIS 32 6.576 0.844 5.558
238 H SER 33 H SER 33 6.290 7.846 2.348
239 HA SER 33 HA SER 33 8.893 8.517 1.348
240 HB2 SER 33 1HB SER 33 6.739 8.511 0.069
241 HB3 SER 33 2HB SER 33 6.276 9.995 0.927
242 HG SER 33 HG SER 33 7.283 10.387 -1.125
243 H THR 34 H THR 34 6.728 10.266 3.650
244 HA THR 34 HA THR 34 8.306 12.677 3.624
245 HB THR 34 HB THR 34 7.026 13.281 5.687
246 HG1 THR 34 1HG THR 34 5.287 11.935 6.220
247 HG21 THR 34 3HG2 THR 34 4.862 13.513 4.554
248 HG22 THR 34 1HG2 THR 34 5.357 12.333 3.321
249 HG23 THR 34 2HG2 THR 34 6.198 13.889 3.455
250 H GLU 35 H GLU 35 9.635 13.595 5.156
251 HA GLU 35 HA GLU 35 11.307 11.682 6.680
252 HB2 GLU 35 1HB GLU 35 13.026 13.363 6.567
253 HB3 GLU 35 2HB GLU 35 12.363 13.050 4.965
254 HG2 GLU 35 1HG GLU 35 10.990 15.125 5.122
255 HG3 GLU 35 2HG GLU 35 11.649 15.441 6.727
256 H LYS 36 H LYS 36 8.684 13.206 7.555
257 HA LYS 36 HA LYS 36 9.427 14.814 9.850
258 HB2 LYS 36 1HB LYS 36 6.752 13.633 8.992
259 HB3 LYS 36 2HB LYS 36 6.982 14.783 10.313
260 HG2 LYS 36 1HG LYS 36 7.906 16.450 8.722
261 HG3 LYS 36 2HG LYS 36 7.636 15.322 7.379
262 HD2 LYS 36 1HD LYS 36 5.207 15.283 7.904
263 HD3 LYS 36 2HD LYS 36 5.459 16.460 9.198
264 HE2 LYS 36 1HE LYS 36 6.108 16.924 6.245
265 HE3 LYS 36 2HE LYS 36 4.605 17.416 7.027
266 HZ1 LYS 36 3HZ LYS 36 6.159 19.254 6.957
267 HZ2 LYS 36 1HZ LYS 36 7.302 18.419 7.766
268 HZ3 LYS 36 2HZ LYS 36 5.909 18.843 8.514
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -3.682 -16.039 -2.972
2 H2 GLY 1 2H GLY 1 -4.039 -17.587 -3.368
3 H3 GLY 1 3H GLY 1 -2.841 -16.796 -4.156
4 HA2 GLY 1 1HA GLY 1 -1.899 -18.354 -2.583
5 HA3 GLY 1 2HA GLY 1 -1.499 -16.676 -2.175
6 H SER 2 H SER 2 -2.018 -19.346 -0.622
7 HA SER 2 HA SER 2 -4.216 -18.606 1.191
8 HB2 SER 2 1HB SER 2 -3.807 -20.865 2.126
9 HB3 SER 2 2HB SER 2 -4.128 -20.865 0.386
10 HG SER 2 HG SER 2 -2.334 -22.201 0.950
11 H SER 3 H SER 3 -0.996 -17.771 1.159
12 HA SER 3 HA SER 3 -0.210 -18.288 3.850
13 HB2 SER 3 1HB SER 3 1.019 -16.338 1.877
14 HB3 SER 3 2HB SER 3 1.804 -17.074 3.288
15 HG SER 3 HG SER 3 2.338 -18.170 1.350
16 H GLY 4 H GLY 4 -2.698 -16.685 3.790
17 HA2 GLY 4 1HA GLY 4 -2.280 -14.908 5.939
18 HA3 GLY 4 2HA GLY 4 -2.252 -13.936 4.465
19 H SER 5 H SER 5 -4.127 -12.996 5.715
20 HA SER 5 HA SER 5 -6.661 -14.403 5.799
21 HB2 SER 5 1HB SER 5 -7.499 -12.190 6.606
22 HB3 SER 5 2HB SER 5 -6.147 -12.862 7.528
23 HG SER 5 HG SER 5 -5.742 -10.695 7.147
24 H SER 6 H SER 6 -6.158 -14.841 3.355
25 HA SER 6 HA SER 6 -6.674 -14.688 1.167
26 HB2 SER 6 1HB SER 6 -8.877 -12.764 1.975
27 HB3 SER 6 2HB SER 6 -8.692 -13.534 0.397
28 HG SER 6 HG SER 6 -9.065 -14.864 2.891
29 H GLY 7 H GLY 7 -6.788 -13.240 -0.805
30 HA2 GLY 7 1HA GLY 7 -4.506 -11.455 -0.736
31 HA3 GLY 7 2HA GLY 7 -5.487 -11.860 -2.139
32 H LYS 8 H LYS 8 -4.412 -9.341 -1.572
33 HA LYS 8 HA LYS 8 -6.854 -7.633 -1.529
34 HB2 LYS 8 1HB LYS 8 -4.227 -6.986 -0.124
35 HB3 LYS 8 2HB LYS 8 -5.532 -5.841 -0.410
36 HG2 LYS 8 1HG LYS 8 -6.050 -6.388 1.725
37 HG3 LYS 8 2HG LYS 8 -7.004 -7.624 0.901
38 HD2 LYS 8 1HD LYS 8 -5.058 -9.225 1.258
39 HD3 LYS 8 2HD LYS 8 -4.227 -7.952 2.155
40 HE2 LYS 8 1HE LYS 8 -5.996 -7.919 3.843
41 HE3 LYS 8 2HE LYS 8 -6.977 -9.043 2.886
42 HZ1 LYS 8 3HZ LYS 8 -4.330 -9.709 4.056
43 HZ2 LYS 8 1HZ LYS 8 -5.272 -10.713 3.153
44 HZ3 LYS 8 2HZ LYS 8 -5.770 -10.233 4.630
45 HA PRO 9 HA PRO 9 -5.138 -6.463 -5.371
46 HB2 PRO 9 1HB PRO 9 -6.376 -4.098 -5.958
47 HB3 PRO 9 2HB PRO 9 -7.231 -5.670 -5.874
48 HG2 PRO 9 1HG PRO 9 -6.959 -3.593 -3.677
49 HG3 PRO 9 2HG PRO 9 -8.468 -4.356 -4.287
50 HD2 PRO 9 1HD PRO 9 -7.199 -5.275 -2.070
51 HD3 PRO 9 2HD PRO 9 -7.899 -6.429 -3.248
52 H PHE 10 H PHE 10 -4.864 -3.833 -2.905
53 HA PHE 10 HA PHE 10 -2.345 -2.902 -4.243
54 HB2 PHE 10 1HB PHE 10 -4.195 -1.231 -2.555
55 HB3 PHE 10 2HB PHE 10 -2.837 -0.712 -3.514
56 HD1 PHE 10 1HD PHE 10 -2.853 -1.081 -6.047
57 HD2 PHE 10 2HD PHE 10 -6.381 -1.291 -3.586
58 HE1 PHE 10 1HE PHE 10 -4.259 -0.867 -8.063
59 HE2 PHE 10 2HE PHE 10 -7.808 -1.097 -5.614
60 HZ PHE 10 HZ PHE 10 -6.751 -0.893 -7.865
61 H LYS 11 H LYS 11 -1.084 -4.232 -3.336
62 HA LYS 11 HA LYS 11 -0.468 -4.156 -0.427
63 HB2 LYS 11 1HB LYS 11 -0.464 -6.354 -1.302
64 HB3 LYS 11 2HB LYS 11 0.355 -5.869 -2.776
65 HG2 LYS 11 1HG LYS 11 1.807 -7.205 -1.448
66 HG3 LYS 11 2HG LYS 11 2.467 -5.585 -1.602
67 HD2 LYS 11 1HD LYS 11 1.782 -5.078 0.707
68 HD3 LYS 11 2HD LYS 11 1.070 -6.693 0.876
69 HE2 LYS 11 1HE LYS 11 3.983 -6.127 0.129
70 HE3 LYS 11 2HE LYS 11 3.452 -6.372 1.778
71 HZ1 LYS 11 3HZ LYS 11 2.689 -8.614 1.146
72 HZ2 LYS 11 1HZ LYS 11 4.287 -8.435 0.859
73 HZ3 LYS 11 2HZ LYS 11 3.234 -8.397 -0.381
74 H CYS 12 H CYS 12 0.887 -2.807 0.313
75 HA CYS 12 HA CYS 12 2.442 -0.828 -0.954
76 HB2 CYS 12 1HB CYS 12 1.727 -0.880 1.388
77 HB3 CYS 12 2HB CYS 12 2.744 -2.292 1.691
78 H SER 13 H SER 13 4.489 -0.727 -1.752
79 HA SER 13 HA SER 13 5.859 -3.230 -2.449
80 HB2 SER 13 1HB SER 13 7.334 -1.757 -3.769
81 HB3 SER 13 2HB SER 13 5.618 -1.545 -4.153
82 HG SER 13 HG SER 13 6.721 0.461 -3.913
83 H LEU 14 H LEU 14 5.902 -1.360 0.269
84 HA LEU 14 HA LEU 14 8.840 -1.633 0.809
85 HB2 LEU 14 1HB LEU 14 6.804 0.264 2.025
86 HB3 LEU 14 2HB LEU 14 8.537 0.321 2.235
87 HG LEU 14 HG LEU 14 7.166 0.732 -0.467
88 HD11 LEU 14 1HD1 LEU 14 6.487 2.494 1.022
89 HD12 LEU 14 2HD1 LEU 14 7.603 3.114 -0.190
90 HD13 LEU 14 3HD1 LEU 14 8.184 2.817 1.472
91 HD21 LEU 14 3HD2 LEU 14 10.009 1.299 0.464
92 HD22 LEU 14 1HD2 LEU 14 9.336 1.691 -1.136
93 HD23 LEU 14 2HD2 LEU 14 9.508 0.002 -0.646
94 H CYS 15 H CYS 15 5.621 -2.012 2.187
95 HA CYS 15 HA CYS 15 6.685 -3.842 4.283
96 HB2 CYS 15 1HB CYS 15 5.607 -2.748 6.029
97 HB3 CYS 15 2HB CYS 15 6.377 -1.478 5.116
98 H GLU 16 H GLU 16 4.553 -4.596 5.588
99 HA GLU 16 HA GLU 16 3.123 -6.254 3.609
100 HB2 GLU 16 1HB GLU 16 4.369 -7.066 5.751
101 HB3 GLU 16 2HB GLU 16 2.936 -6.526 6.623
102 HG2 GLU 16 1HG GLU 16 1.553 -8.128 5.320
103 HG3 GLU 16 2HG GLU 16 2.949 -8.539 4.323
104 H TYR 17 H TYR 17 2.469 -3.282 4.510
105 HA TYR 17 HA TYR 17 -0.334 -3.376 5.212
106 HB2 TYR 17 1HB TYR 17 1.072 -1.403 5.442
107 HB3 TYR 17 2HB TYR 17 1.363 -1.349 3.722
108 HD1 TYR 17 1HD TYR 17 -0.412 -0.604 2.155
109 HD2 TYR 17 2HD TYR 17 -1.054 -0.608 6.413
110 HE1 TYR 17 1HE TYR 17 -2.371 0.938 1.857
111 HE2 TYR 17 2HE TYR 17 -3.009 0.907 6.115
112 HH TYR 17 HH TYR 17 -4.325 2.004 4.655
113 H ALA 18 H ALA 18 -2.155 -3.548 4.014
114 HA ALA 18 HA ALA 18 -2.040 -3.065 1.170
115 HB1 ALA 18 1HB ALA 18 -1.499 -5.503 1.328
116 HB2 ALA 18 2HB ALA 18 -3.065 -5.764 2.127
117 HB3 ALA 18 3HB ALA 18 -3.004 -5.163 0.444
118 H THR 19 H THR 19 -4.027 -2.711 0.171
119 HA THR 19 HA THR 19 -6.472 -2.464 1.852
120 HB THR 19 HB THR 19 -5.322 -0.318 2.107
121 HG1 THR 19 1HG THR 19 -7.386 0.140 1.999
122 HG21 THR 19 3HG2 THR 19 -4.847 1.128 0.283
123 HG22 THR 19 1HG2 THR 19 -5.347 -0.083 -0.911
124 HG23 THR 19 2HG2 THR 19 -3.909 -0.348 0.113
125 H ARG 20 H ARG 20 -8.363 -1.909 0.607
126 HA ARG 20 HA ARG 20 -8.514 -3.257 -2.026
127 HB2 ARG 20 1HB ARG 20 -10.554 -2.321 0.006
128 HB3 ARG 20 2HB ARG 20 -11.040 -2.812 -1.608
129 HG2 ARG 20 1HG ARG 20 -9.355 -4.629 0.164
130 HG3 ARG 20 2HG ARG 20 -11.107 -4.598 0.274
131 HD2 ARG 20 1HD ARG 20 -9.608 -5.173 -2.310
132 HD3 ARG 20 2HD ARG 20 -10.150 -6.422 -1.205
133 HE ARG 20 HE ARG 20 -11.779 -4.808 -3.043
134 HH11 ARG 20 2HH2 ARG 20 -11.982 -6.953 -0.273
135 HH12 ARG 20 1HH2 ARG 20 -13.658 -7.320 -0.577
136 HH21 ARG 20 2HH1 ARG 20 -13.908 -5.320 -3.361
137 HH22 ARG 20 1HH1 ARG 20 -14.712 -6.419 -2.278
138 H SER 21 H SER 21 -7.962 -0.094 -0.999
139 HA SER 21 HA SER 21 -8.997 1.010 -3.597
140 HB2 SER 21 1HB SER 21 -8.996 2.317 -0.857
141 HB3 SER 21 2HB SER 21 -9.431 3.118 -2.382
142 HG SER 21 HG SER 21 -11.274 2.312 -1.252
143 H LYS 22 H LYS 22 -7.445 1.733 -4.887
144 HA LYS 22 HA LYS 22 -4.724 1.913 -4.199
145 HB2 LYS 22 1HB LYS 22 -4.354 2.813 -6.390
146 HB3 LYS 22 2HB LYS 22 -5.582 1.559 -6.465
147 HG2 LYS 22 1HG LYS 22 -7.343 3.420 -6.460
148 HG3 LYS 22 2HG LYS 22 -6.011 4.561 -6.686
149 HD2 LYS 22 1HD LYS 22 -6.768 2.264 -8.544
150 HD3 LYS 22 2HD LYS 22 -7.094 3.982 -8.812
151 HE2 LYS 22 1HE LYS 22 -4.627 4.424 -8.818
152 HE3 LYS 22 2HE LYS 22 -4.336 2.688 -8.635
153 HZ1 LYS 22 3HZ LYS 22 -5.475 2.340 -10.764
154 HZ2 LYS 22 1HZ LYS 22 -4.216 3.360 -10.963
155 HZ3 LYS 22 2HZ LYS 22 -5.738 3.943 -10.934
156 H SER 23 H SER 23 -7.093 4.554 -4.234
157 HA SER 23 HA SER 23 -5.278 6.691 -3.713
158 HB2 SER 23 1HB SER 23 -8.200 6.416 -2.910
159 HB3 SER 23 2HB SER 23 -7.271 7.926 -2.990
160 HG SER 23 HG SER 23 -8.507 7.548 -4.903
161 H ASN 24 H ASN 24 -6.507 4.200 -1.560
162 HA ASN 24 HA ASN 24 -5.736 5.680 0.869
163 HB2 ASN 24 1HB ASN 24 -7.748 3.988 0.487
164 HB3 ASN 24 2HB ASN 24 -6.531 2.769 0.856
165 HD21 ASN 24 1HD2 ASN 24 -5.277 3.201 3.022
166 HD22 ASN 24 2HD2 ASN 24 -6.231 3.952 4.290
167 H LEU 25 H LEU 25 -4.513 2.866 -1.072
168 HA LEU 25 HA LEU 25 -2.151 2.542 0.470
169 HB2 LEU 25 1HB LEU 25 -2.724 0.868 -1.199
170 HB3 LEU 25 2HB LEU 25 -2.572 2.037 -2.508
171 HG LEU 25 HG LEU 25 -0.192 2.207 -2.090
172 HD11 LEU 25 1HD1 LEU 25 0.989 0.792 -0.450
173 HD12 LEU 25 2HD1 LEU 25 -0.567 0.151 0.117
174 HD13 LEU 25 3HD1 LEU 25 -0.134 1.858 0.377
175 HD21 LEU 25 3HD2 LEU 25 -0.967 -0.702 -2.201
176 HD22 LEU 25 1HD2 LEU 25 0.577 -0.001 -2.715
177 HD23 LEU 25 2HD2 LEU 25 -0.907 0.425 -3.587
178 H LYS 26 H LYS 26 -2.715 4.617 -2.346
179 HA LYS 26 HA LYS 26 -0.255 5.941 -2.633
180 HB2 LYS 26 1HB LYS 26 -2.273 6.294 -4.033
181 HB3 LYS 26 2HB LYS 26 -3.082 7.068 -2.678
182 HG2 LYS 26 1HG LYS 26 -1.146 8.845 -2.791
183 HG3 LYS 26 2HG LYS 26 -0.789 8.105 -4.358
184 HD2 LYS 26 1HD LYS 26 -2.237 9.905 -4.842
185 HD3 LYS 26 2HD LYS 26 -3.285 8.469 -4.900
186 HE2 LYS 26 1HE LYS 26 -4.083 8.958 -2.600
187 HE3 LYS 26 2HE LYS 26 -2.997 10.348 -2.511
188 HZ1 LYS 26 3HZ LYS 26 -5.238 10.078 -4.449
189 HZ2 LYS 26 1HZ LYS 26 -4.236 11.363 -4.340
190 HZ3 LYS 26 2HZ LYS 26 -5.253 11.020 -3.114
191 H ALA 27 H ALA 27 -2.775 6.619 -0.261
192 HA ALA 27 HA ALA 27 -1.442 8.863 1.011
193 HB1 ALA 27 1HB ALA 27 -3.206 8.663 2.691
194 HB2 ALA 27 2HB ALA 27 -3.898 8.523 1.062
195 HB3 ALA 27 3HB ALA 27 -3.674 7.071 2.066
196 H HIS 28 H HIS 28 -1.589 5.354 1.751
197 HA HIS 28 HA HIS 28 0.025 5.425 4.131
198 HB2 HIS 28 1HB HIS 28 -1.397 3.592 3.751
199 HB3 HIS 28 2HB HIS 28 -0.746 3.285 2.148
200 HD1 HIS 28 1HD HIS 28 0.154 2.749 5.830
201 HD2 HIS 28 2HD HIS 28 1.588 2.005 1.951
202 HE1 HIS 28 1HE HIS 28 2.125 1.179 6.113
203 H MET 29 H MET 29 0.864 5.078 0.666
204 HA MET 29 HA MET 29 3.654 4.560 1.007
205 HB2 MET 29 1HB MET 29 2.219 5.885 -1.318
206 HB3 MET 29 2HB MET 29 3.834 5.196 -1.369
207 HG2 MET 29 1HG MET 29 1.839 3.224 -0.408
208 HG3 MET 29 2HG MET 29 1.407 3.948 -1.914
209 HE1 MET 29 3HE MET 29 3.981 1.992 -0.034
210 HE2 MET 29 1HE MET 29 5.140 1.430 -1.263
211 HE3 MET 29 2HE MET 29 5.101 3.147 -0.786
212 H ASN 30 H ASN 30 1.850 7.591 1.103
213 HA ASN 30 HA ASN 30 4.224 9.300 1.022
214 HB2 ASN 30 1HB ASN 30 1.275 9.726 1.584
215 HB3 ASN 30 2HB ASN 30 2.451 10.960 2.017
216 HD21 ASN 30 1HD2 ASN 30 1.211 9.091 -0.808
217 HD22 ASN 30 2HD2 ASN 30 1.746 10.312 -1.957
218 H ARG 31 H ARG 31 2.556 7.529 3.608
219 HA ARG 31 HA ARG 31 3.800 8.955 5.820
220 HB2 ARG 31 1HB ARG 31 2.811 6.072 5.752
221 HB3 ARG 31 2HB ARG 31 3.173 7.029 7.184
222 HG2 ARG 31 1HG ARG 31 1.360 8.622 6.615
223 HG3 ARG 31 2HG ARG 31 0.969 7.658 5.181
224 HD2 ARG 31 1HD ARG 31 0.525 5.691 6.647
225 HD3 ARG 31 2HD ARG 31 0.817 6.720 8.067
226 HE ARG 31 HE ARG 31 -1.148 7.957 6.396
227 HH11 ARG 31 2HH1 ARG 31 -0.919 5.227 8.583
228 HH12 ARG 31 1HH1 ARG 31 -2.625 5.247 8.932
229 HH21 ARG 31 2HH2 ARG 31 -3.313 7.935 6.899
230 HH22 ARG 31 1HH2 ARG 31 -3.938 6.746 8.002
231 H HIS 32 H HIS 32 4.857 6.285 3.778
232 HA HIS 32 HA HIS 32 7.244 5.639 5.242
233 HB2 HIS 32 1HB HIS 32 6.356 5.198 2.372
234 HB3 HIS 32 2HB HIS 32 7.941 4.710 2.938
235 HD1 HIS 32 1HD HIS 32 7.892 2.962 5.155
236 HD2 HIS 32 2HD HIS 32 4.572 3.287 2.595
237 HE1 HIS 32 1HE HIS 32 6.606 0.796 5.421
238 H SER 33 H SER 33 6.575 8.557 3.598
239 HA SER 33 HA SER 33 9.268 9.126 2.665
240 HB2 SER 33 1HB SER 33 7.075 10.145 1.843
241 HB3 SER 33 2HB SER 33 7.099 11.148 3.303
242 HG SER 33 HG SER 33 9.194 11.895 2.606
243 H THR 34 H THR 34 8.076 8.857 5.808
244 HA THR 34 HA THR 34 10.425 10.271 6.911
245 HB THR 34 HB THR 34 8.507 11.849 7.025
246 HG1 THR 34 1HG THR 34 8.927 12.382 9.144
247 HG21 THR 34 3HG2 THR 34 6.744 11.526 8.683
248 HG22 THR 34 1HG2 THR 34 7.337 9.896 9.057
249 HG23 THR 34 2HG2 THR 34 6.651 10.253 7.457
250 H GLU 35 H GLU 35 10.607 9.738 9.324
251 HA GLU 35 HA GLU 35 11.380 8.116 10.719
252 HB2 GLU 35 1HB GLU 35 8.886 8.423 11.185
253 HB3 GLU 35 2HB GLU 35 8.650 6.836 10.451
254 HG2 GLU 35 1HG GLU 35 10.210 5.858 12.159
255 HG3 GLU 35 2HG GLU 35 10.475 7.468 12.823
256 H LYS 36 H LYS 36 12.399 7.668 8.329
257 HA LYS 36 HA LYS 36 12.556 4.716 7.962
258 HB2 LYS 36 1HB LYS 36 12.410 4.931 5.585
259 HB3 LYS 36 2HB LYS 36 11.044 5.776 6.290
260 HG2 LYS 36 1HG LYS 36 11.628 7.398 4.802
261 HG3 LYS 36 2HG LYS 36 12.704 7.898 6.086
262 HD2 LYS 36 1HD LYS 36 14.347 6.108 4.779
263 HD3 LYS 36 2HD LYS 36 13.271 6.554 3.458
264 HE2 LYS 36 1HE LYS 36 14.944 8.161 3.237
265 HE3 LYS 36 2HE LYS 36 13.745 9.022 4.210
266 HZ1 LYS 36 3HZ LYS 36 16.274 7.781 5.120
267 HZ2 LYS 36 1HZ LYS 36 15.109 8.109 6.195
268 HZ3 LYS 36 2HZ LYS 36 15.802 9.330 5.321
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -20.262 -20.175 6.563
2 H2 GLY 1 2H GLY 1 -20.516 -21.496 5.629
3 H3 GLY 1 3H GLY 1 -21.478 -20.178 5.465
4 HA2 GLY 1 1HA GLY 1 -19.915 -20.290 3.638
5 HA3 GLY 1 2HA GLY 1 -19.657 -18.852 4.641
6 H SER 2 H SER 2 -17.678 -19.948 2.952
7 HA SER 2 HA SER 2 -15.799 -21.562 4.513
8 HB2 SER 2 1HB SER 2 -14.420 -21.419 2.501
9 HB3 SER 2 2HB SER 2 -16.089 -21.854 2.089
10 HG SER 2 HG SER 2 -15.321 -20.221 0.700
11 H SER 3 H SER 3 -16.368 -18.190 4.241
12 HA SER 3 HA SER 3 -15.257 -16.287 4.648
13 HB2 SER 3 1HB SER 3 -13.508 -17.918 6.508
14 HB3 SER 3 2HB SER 3 -13.669 -16.153 6.489
15 HG SER 3 HG SER 3 -15.025 -17.143 8.063
16 H GLY 4 H GLY 4 -14.190 -18.149 2.461
17 HA2 GLY 4 1HA GLY 4 -11.412 -17.356 2.056
18 HA3 GLY 4 2HA GLY 4 -12.472 -18.146 0.892
19 H SER 5 H SER 5 -10.633 -16.016 0.342
20 HA SER 5 HA SER 5 -12.427 -14.203 -1.097
21 HB2 SER 5 1HB SER 5 -11.544 -12.143 -0.259
22 HB3 SER 5 2HB SER 5 -12.096 -13.071 1.136
23 HG SER 5 HG SER 5 -9.966 -13.593 1.611
24 H SER 6 H SER 6 -11.182 -12.705 -2.543
25 HA SER 6 HA SER 6 -8.893 -14.014 -3.818
26 HB2 SER 6 1HB SER 6 -10.235 -11.372 -4.474
27 HB3 SER 6 2HB SER 6 -9.095 -12.268 -5.497
28 HG SER 6 HG SER 6 -11.273 -12.665 -6.095
29 H GLY 7 H GLY 7 -8.858 -12.336 -1.037
30 HA2 GLY 7 1HA GLY 7 -7.179 -11.249 0.127
31 HA3 GLY 7 2HA GLY 7 -6.117 -11.413 -1.268
32 H LYS 8 H LYS 8 -5.323 -9.304 -1.020
33 HA LYS 8 HA LYS 8 -7.224 -7.084 -1.589
34 HB2 LYS 8 1HB LYS 8 -4.728 -7.120 0.112
35 HB3 LYS 8 2HB LYS 8 -5.499 -5.623 -0.435
36 HG2 LYS 8 1HG LYS 8 -7.599 -6.220 0.669
37 HG3 LYS 8 2HG LYS 8 -6.935 -7.786 1.171
38 HD2 LYS 8 1HD LYS 8 -5.209 -6.647 2.515
39 HD3 LYS 8 2HD LYS 8 -5.832 -5.074 1.964
40 HE2 LYS 8 1HE LYS 8 -8.000 -5.539 3.049
41 HE3 LYS 8 2HE LYS 8 -7.391 -7.105 3.607
42 HZ1 LYS 8 3HZ LYS 8 -6.178 -4.486 4.352
43 HZ2 LYS 8 1HZ LYS 8 -5.730 -5.945 4.928
44 HZ3 LYS 8 2HZ LYS 8 -7.193 -5.339 5.312
45 HA PRO 9 HA PRO 9 -5.084 -6.423 -5.344
46 HB2 PRO 9 1HB PRO 9 -5.999 -3.958 -6.084
47 HB3 PRO 9 2HB PRO 9 -7.034 -5.419 -6.026
48 HG2 PRO 9 1HG PRO 9 -6.667 -3.342 -3.827
49 HG3 PRO 9 2HG PRO 9 -8.214 -3.910 -4.556
50 HD2 PRO 9 1HD PRO 9 -7.198 -4.943 -2.261
51 HD3 PRO 9 2HD PRO 9 -7.976 -6.015 -3.482
52 H PHE 10 H PHE 10 -4.807 -3.675 -3.002
53 HA PHE 10 HA PHE 10 -2.231 -2.849 -4.278
54 HB2 PHE 10 1HB PHE 10 -4.110 -1.177 -2.617
55 HB3 PHE 10 2HB PHE 10 -2.715 -0.644 -3.517
56 HD1 PHE 10 1HD PHE 10 -2.641 -1.106 -6.076
57 HD2 PHE 10 2HD PHE 10 -6.243 -1.089 -3.716
58 HE1 PHE 10 1HE PHE 10 -3.982 -0.871 -8.137
59 HE2 PHE 10 2HE PHE 10 -7.602 -0.892 -5.792
60 HZ PHE 10 HZ PHE 10 -6.471 -0.765 -8.010
61 H LYS 11 H LYS 11 -0.962 -4.159 -3.368
62 HA LYS 11 HA LYS 11 -0.466 -4.159 -0.436
63 HB2 LYS 11 1HB LYS 11 -0.721 -6.276 -1.824
64 HB3 LYS 11 2HB LYS 11 0.781 -5.864 -2.632
65 HG2 LYS 11 1HG LYS 11 0.418 -6.506 0.333
66 HG3 LYS 11 2HG LYS 11 1.066 -7.571 -0.915
67 HD2 LYS 11 1HD LYS 11 2.872 -5.754 -1.283
68 HD3 LYS 11 2HD LYS 11 2.317 -5.096 0.280
69 HE2 LYS 11 1HE LYS 11 2.798 -7.255 1.366
70 HE3 LYS 11 2HE LYS 11 3.340 -7.923 -0.184
71 HZ1 LYS 11 3HZ LYS 11 5.064 -6.185 -0.233
72 HZ2 LYS 11 1HZ LYS 11 5.226 -7.097 1.122
73 HZ3 LYS 11 2HZ LYS 11 4.560 -5.593 1.199
74 H CYS 12 H CYS 12 0.925 -2.826 0.330
75 HA CYS 12 HA CYS 12 2.486 -0.876 -0.916
76 HB2 CYS 12 1HB CYS 12 1.763 -0.909 1.411
77 HB3 CYS 12 2HB CYS 12 2.778 -2.318 1.738
78 H SER 13 H SER 13 4.472 -0.745 -1.815
79 HA SER 13 HA SER 13 5.926 -3.185 -2.474
80 HB2 SER 13 1HB SER 13 7.398 -1.653 -3.744
81 HB3 SER 13 2HB SER 13 5.683 -1.474 -4.144
82 HG SER 13 HG SER 13 6.729 0.553 -3.852
83 H LEU 14 H LEU 14 5.930 -1.402 0.298
84 HA LEU 14 HA LEU 14 8.867 -1.682 0.855
85 HB2 LEU 14 1HB LEU 14 6.841 0.240 2.050
86 HB3 LEU 14 2HB LEU 14 8.573 0.276 2.276
87 HG LEU 14 HG LEU 14 7.221 0.696 -0.434
88 HD11 LEU 14 1HD1 LEU 14 6.566 2.461 1.078
89 HD12 LEU 14 2HD1 LEU 14 7.647 3.066 -0.172
90 HD13 LEU 14 3HD1 LEU 14 8.275 2.785 1.478
91 HD21 LEU 14 3HD2 LEU 14 9.405 1.631 -1.097
92 HD22 LEU 14 1HD2 LEU 14 9.556 -0.059 -0.602
93 HD23 LEU 14 2HD2 LEU 14 10.067 1.234 0.507
94 H CYS 15 H CYS 15 5.632 -2.026 2.224
95 HA CYS 15 HA CYS 15 6.693 -3.840 4.344
96 HB2 CYS 15 1HB CYS 15 5.643 -2.719 6.075
97 HB3 CYS 15 2HB CYS 15 6.371 -1.452 5.120
98 H GLU 16 H GLU 16 4.526 -4.531 5.681
99 HA GLU 16 HA GLU 16 3.131 -6.284 3.755
100 HB2 GLU 16 1HB GLU 16 4.376 -7.009 5.933
101 HB3 GLU 16 2HB GLU 16 2.925 -6.459 6.771
102 HG2 GLU 16 1HG GLU 16 1.578 -8.114 5.486
103 HG3 GLU 16 2HG GLU 16 3.000 -8.546 4.537
104 H TYR 17 H TYR 17 2.469 -3.291 4.533
105 HA TYR 17 HA TYR 17 -0.354 -3.390 5.195
106 HB2 TYR 17 1HB TYR 17 1.020 -1.406 5.442
107 HB3 TYR 17 2HB TYR 17 1.362 -1.365 3.730
108 HD1 TYR 17 1HD TYR 17 -0.414 -0.705 2.091
109 HD2 TYR 17 2HD TYR 17 -1.091 -0.520 6.341
110 HE1 TYR 17 1HE TYR 17 -2.351 0.822 1.713
111 HE2 TYR 17 2HE TYR 17 -3.019 1.012 5.959
112 HH TYR 17 HH TYR 17 -4.317 2.093 4.414
113 H ALA 18 H ALA 18 -2.139 -3.557 3.961
114 HA ALA 18 HA ALA 18 -1.983 -3.137 1.115
115 HB1 ALA 18 1HB ALA 18 -2.976 -5.835 2.116
116 HB2 ALA 18 2HB ALA 18 -2.977 -5.262 0.420
117 HB3 ALA 18 3HB ALA 18 -1.442 -5.556 1.283
118 H THR 19 H THR 19 -3.957 -2.722 0.117
119 HA THR 19 HA THR 19 -6.415 -2.524 1.791
120 HB THR 19 HB THR 19 -5.179 -0.430 2.108
121 HG1 THR 19 1HG THR 19 -7.301 -0.142 2.135
122 HG21 THR 19 3HG2 THR 19 -3.882 -0.425 -0.004
123 HG22 THR 19 1HG2 THR 19 -4.694 1.077 0.358
124 HG23 THR 19 2HG2 THR 19 -5.366 -0.003 -0.888
125 H ARG 20 H ARG 20 -8.316 -1.919 0.558
126 HA ARG 20 HA ARG 20 -8.482 -3.326 -2.040
127 HB2 ARG 20 1HB ARG 20 -10.575 -2.213 -0.155
128 HB3 ARG 20 2HB ARG 20 -10.961 -2.956 -1.694
129 HG2 ARG 20 1HG ARG 20 -9.539 -4.359 0.610
130 HG3 ARG 20 2HG ARG 20 -11.252 -4.481 0.244
131 HD2 ARG 20 1HD ARG 20 -8.980 -5.497 -1.511
132 HD3 ARG 20 2HD ARG 20 -10.067 -6.463 -0.524
133 HE ARG 20 HE ARG 20 -11.561 -4.841 -2.378
134 HH11 ARG 20 2HH1 ARG 20 -9.748 -7.897 -2.302
135 HH12 ARG 20 1HH1 ARG 20 -10.529 -8.432 -3.755
136 HH21 ARG 20 2HH2 ARG 20 -12.496 -5.669 -4.188
137 HH22 ARG 20 1HH2 ARG 20 -12.046 -7.245 -4.764
138 H SER 21 H SER 21 -7.969 -0.098 -1.155
139 HA SER 21 HA SER 21 -8.892 0.823 -3.862
140 HB2 SER 21 1HB SER 21 -9.126 2.362 -1.254
141 HB3 SER 21 2HB SER 21 -9.538 2.965 -2.869
142 HG SER 21 HG SER 21 -11.386 2.181 -1.747
143 H LYS 22 H LYS 22 -7.395 1.831 -5.059
144 HA LYS 22 HA LYS 22 -4.693 1.996 -4.230
145 HB2 LYS 22 1HB LYS 22 -4.236 2.974 -6.365
146 HB3 LYS 22 2HB LYS 22 -5.450 1.720 -6.554
147 HG2 LYS 22 1HG LYS 22 -7.222 3.581 -6.530
148 HG3 LYS 22 2HG LYS 22 -5.885 4.730 -6.651
149 HD2 LYS 22 1HD LYS 22 -6.584 2.527 -8.641
150 HD3 LYS 22 2HD LYS 22 -6.869 4.261 -8.843
151 HE2 LYS 22 1HE LYS 22 -4.392 4.651 -8.725
152 HE3 LYS 22 2HE LYS 22 -4.147 2.900 -8.621
153 HZ1 LYS 22 3HZ LYS 22 -5.427 4.305 -10.905
154 HZ2 LYS 22 1HZ LYS 22 -5.205 2.688 -10.807
155 HZ3 LYS 22 2HZ LYS 22 -3.918 3.686 -10.904
156 H SER 23 H SER 23 -7.177 4.440 -3.985
157 HA SER 23 HA SER 23 -5.556 6.738 -3.447
158 HB2 SER 23 1HB SER 23 -7.678 7.553 -2.344
159 HB3 SER 23 2HB SER 23 -7.858 7.006 -4.022
160 HG SER 23 HG SER 23 -9.504 6.172 -2.625
161 H ASN 24 H ASN 24 -6.734 4.109 -1.336
162 HA ASN 24 HA ASN 24 -5.814 5.314 1.151
163 HB2 ASN 24 1HB ASN 24 -6.498 2.452 0.381
164 HB3 ASN 24 2HB ASN 24 -6.086 2.954 2.011
165 HD21 ASN 24 1HD2 ASN 24 -8.428 1.648 1.363
166 HD22 ASN 24 2HD2 ASN 24 -9.771 2.751 1.679
167 H LEU 25 H LEU 25 -4.432 2.774 -1.045
168 HA LEU 25 HA LEU 25 -2.037 2.536 0.435
169 HB2 LEU 25 1HB LEU 25 -2.632 0.863 -1.235
170 HB3 LEU 25 2HB LEU 25 -2.462 2.034 -2.542
171 HG LEU 25 HG LEU 25 -0.100 2.234 -2.079
172 HD11 LEU 25 1HD1 LEU 25 -0.461 0.142 0.089
173 HD12 LEU 25 2HD1 LEU 25 -0.048 1.852 0.373
174 HD13 LEU 25 3HD1 LEU 25 1.094 0.811 -0.457
175 HD21 LEU 25 3HD2 LEU 25 -0.746 0.457 -3.610
176 HD22 LEU 25 1HD2 LEU 25 -0.803 -0.690 -2.238
177 HD23 LEU 25 2HD2 LEU 25 0.731 0.055 -2.717
178 H LYS 26 H LYS 26 -2.746 4.655 -2.325
179 HA LYS 26 HA LYS 26 -0.266 5.984 -2.569
180 HB2 LYS 26 1HB LYS 26 -2.121 6.256 -4.102
181 HB3 LYS 26 2HB LYS 26 -3.111 7.044 -2.890
182 HG2 LYS 26 1HG LYS 26 -0.449 8.229 -3.758
183 HG3 LYS 26 2HG LYS 26 -1.875 8.411 -4.765
184 HD2 LYS 26 1HD LYS 26 -1.596 9.487 -1.928
185 HD3 LYS 26 2HD LYS 26 -1.508 10.396 -3.431
186 HE2 LYS 26 1HE LYS 26 -3.862 9.694 -3.962
187 HE3 LYS 26 2HE LYS 26 -3.954 8.903 -2.379
188 HZ1 LYS 26 3HZ LYS 26 -4.874 11.148 -2.302
189 HZ2 LYS 26 1HZ LYS 26 -3.474 11.805 -2.814
190 HZ3 LYS 26 2HZ LYS 26 -3.551 11.083 -1.350
191 H ALA 27 H ALA 27 -2.778 6.530 -0.124
192 HA ALA 27 HA ALA 27 -1.462 8.855 1.061
193 HB1 ALA 27 1HB ALA 27 -3.191 8.617 2.784
194 HB2 ALA 27 2HB ALA 27 -3.914 8.488 1.166
195 HB3 ALA 27 3HB ALA 27 -3.650 7.027 2.145
196 H HIS 28 H HIS 28 -1.552 5.341 1.750
197 HA HIS 28 HA HIS 28 0.053 5.395 4.135
198 HB2 HIS 28 1HB HIS 28 -1.377 3.565 3.695
199 HB3 HIS 28 2HB HIS 28 -0.673 3.278 2.108
200 HD1 HIS 28 1HD HIS 28 0.141 2.732 5.814
201 HD2 HIS 28 2HD HIS 28 1.641 1.997 1.956
202 HE1 HIS 28 1HE HIS 28 2.102 1.155 6.128
203 H MET 29 H MET 29 0.896 5.070 0.668
204 HA MET 29 HA MET 29 3.707 4.638 0.993
205 HB2 MET 29 1HB MET 29 2.192 5.945 -1.290
206 HB3 MET 29 2HB MET 29 3.842 5.340 -1.380
207 HG2 MET 29 1HG MET 29 1.886 3.284 -0.458
208 HG3 MET 29 2HG MET 29 1.530 3.982 -1.999
209 HE1 MET 29 3HE MET 29 5.215 1.496 -1.083
210 HE2 MET 29 1HE MET 29 5.100 3.191 -0.534
211 HE3 MET 29 2HE MET 29 3.925 1.986 0.043
212 H ASN 30 H ASN 30 1.799 7.625 1.090
213 HA ASN 30 HA ASN 30 4.115 9.397 1.034
214 HB2 ASN 30 1HB ASN 30 1.162 9.736 1.597
215 HB3 ASN 30 2HB ASN 30 2.296 10.984 2.095
216 HD21 ASN 30 1HD2 ASN 30 1.114 9.209 -0.807
217 HD22 ASN 30 2HD2 ASN 30 1.650 10.473 -1.908
218 H ARG 31 H ARG 31 2.526 7.556 3.625
219 HA ARG 31 HA ARG 31 3.840 8.945 5.825
220 HB2 ARG 31 1HB ARG 31 2.883 6.054 5.735
221 HB3 ARG 31 2HB ARG 31 3.280 6.991 7.168
222 HG2 ARG 31 1HG ARG 31 1.425 8.566 6.693
223 HG3 ARG 31 2HG ARG 31 0.979 7.613 5.269
224 HD2 ARG 31 1HD ARG 31 0.595 5.631 6.692
225 HD3 ARG 31 2HD ARG 31 1.018 6.559 8.130
226 HE ARG 31 HE ARG 31 -1.475 6.681 6.571
227 HH11 ARG 31 2HH1 ARG 31 0.381 8.361 9.029
228 HH12 ARG 31 1HH1 ARG 31 -1.011 9.237 9.602
229 HH21 ARG 31 2HH2 ARG 31 -3.200 7.830 7.358
230 HH22 ARG 31 1HH2 ARG 31 -2.978 8.940 8.677
231 H HIS 32 H HIS 32 4.830 6.337 3.672
232 HA HIS 32 HA HIS 32 7.321 5.766 5.049
233 HB2 HIS 32 1HB HIS 32 6.271 5.135 2.266
234 HB3 HIS 32 2HB HIS 32 7.874 4.678 2.802
235 HD1 HIS 32 1HD HIS 32 7.881 3.052 5.131
236 HD2 HIS 32 2HD HIS 32 4.544 3.219 2.582
237 HE1 HIS 32 1HE HIS 32 6.644 0.868 5.478
238 H SER 33 H SER 33 6.420 8.525 3.262
239 HA SER 33 HA SER 33 8.901 8.881 1.794
240 HB2 SER 33 1HB SER 33 6.481 9.560 1.154
241 HB3 SER 33 2HB SER 33 6.790 11.008 2.128
242 HG SER 33 HG SER 33 7.337 11.294 -0.091
243 H THR 34 H THR 34 8.732 9.056 4.957
244 HA THR 34 HA THR 34 9.833 11.671 5.598
245 HB THR 34 HB THR 34 10.394 10.570 7.785
246 HG1 THR 34 1HG THR 34 9.528 8.518 8.133
247 HG21 THR 34 3HG2 THR 34 8.228 11.727 7.426
248 HG22 THR 34 1HG2 THR 34 8.076 10.357 8.536
249 HG23 THR 34 2HG2 THR 34 7.510 10.203 6.860
250 H GLU 35 H GLU 35 11.965 12.066 6.440
251 HA GLU 35 HA GLU 35 14.149 10.255 5.635
252 HB2 GLU 35 1HB GLU 35 15.302 11.932 4.325
253 HB3 GLU 35 2HB GLU 35 13.730 11.584 3.618
254 HG2 GLU 35 1HG GLU 35 12.817 13.678 4.634
255 HG3 GLU 35 2HG GLU 35 14.404 14.026 5.323
256 H LYS 36 H LYS 36 16.283 11.024 6.358
257 HA LYS 36 HA LYS 36 16.188 12.562 8.925
258 HB2 LYS 36 1HB LYS 36 17.857 10.122 8.211
259 HB3 LYS 36 2HB LYS 36 17.998 11.068 9.699
260 HG2 LYS 36 1HG LYS 36 15.614 10.538 10.247
261 HG3 LYS 36 2HG LYS 36 15.530 9.491 8.824
262 HD2 LYS 36 1HD LYS 36 17.432 9.128 11.177
263 HD3 LYS 36 2HD LYS 36 15.918 8.244 10.924
264 HE2 LYS 36 1HE LYS 36 16.808 7.331 8.786
265 HE3 LYS 36 2HE LYS 36 18.334 8.180 9.061
266 HZ1 LYS 36 3HZ LYS 36 18.465 5.876 9.803
267 HZ2 LYS 36 1HZ LYS 36 17.219 6.073 10.835
268 HZ3 LYS 36 2HZ LYS 36 18.627 6.863 11.090
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 -17.497 -26.829 5.536
2 H2 GLY 1 2H GLY 1 -16.592 -27.398 6.777
3 H3 GLY 1 3H GLY 1 -15.864 -26.740 5.464
4 HA2 GLY 1 1HA GLY 1 -17.573 -25.284 7.376
5 HA3 GLY 1 2HA GLY 1 -15.804 -25.199 7.319
6 H SER 2 H SER 2 -17.621 -22.976 7.063
7 HA SER 2 HA SER 2 -17.762 -22.211 4.241
8 HB2 SER 2 1HB SER 2 -18.816 -20.162 5.159
9 HB3 SER 2 2HB SER 2 -19.596 -21.662 5.685
10 HG SER 2 HG SER 2 -19.272 -20.184 7.425
11 H SER 3 H SER 3 -15.367 -21.812 6.695
12 HA SER 3 HA SER 3 -14.234 -19.312 5.950
13 HB2 SER 3 1HB SER 3 -12.858 -21.729 7.179
14 HB3 SER 3 2HB SER 3 -12.264 -20.058 7.194
15 HG SER 3 HG SER 3 -13.350 -20.606 9.143
16 H GLY 4 H GLY 4 -12.302 -18.798 4.824
17 HA2 GLY 4 1HA GLY 4 -10.812 -20.673 3.220
18 HA3 GLY 4 2HA GLY 4 -11.963 -19.775 2.229
19 H SER 5 H SER 5 -9.437 -19.482 1.543
20 HA SER 5 HA SER 5 -7.890 -17.495 2.884
21 HB2 SER 5 1HB SER 5 -7.777 -18.374 -0.025
22 HB3 SER 5 2HB SER 5 -6.511 -17.500 0.860
23 HG SER 5 HG SER 5 -6.127 -19.769 0.801
24 H SER 6 H SER 6 -7.355 -15.368 2.313
25 HA SER 6 HA SER 6 -9.008 -13.868 0.376
26 HB2 SER 6 1HB SER 6 -9.656 -12.192 2.035
27 HB3 SER 6 2HB SER 6 -10.307 -13.782 2.450
28 HG SER 6 HG SER 6 -9.401 -12.737 4.275
29 H GLY 7 H GLY 7 -8.274 -11.585 0.156
30 HA2 GLY 7 1HA GLY 7 -5.728 -10.678 1.120
31 HA3 GLY 7 2HA GLY 7 -5.562 -11.332 -0.514
32 H LYS 8 H LYS 8 -4.915 -8.785 -0.232
33 HA LYS 8 HA LYS 8 -7.234 -7.135 -1.152
34 HB2 LYS 8 1HB LYS 8 -4.927 -6.486 0.681
35 HB3 LYS 8 2HB LYS 8 -5.614 -5.223 -0.315
36 HG2 LYS 8 1HG LYS 8 -6.752 -4.984 1.687
37 HG3 LYS 8 2HG LYS 8 -7.892 -5.788 0.629
38 HD2 LYS 8 1HD LYS 8 -8.052 -6.739 2.840
39 HD3 LYS 8 2HD LYS 8 -7.405 -7.950 1.754
40 HE2 LYS 8 1HE LYS 8 -6.186 -8.117 3.790
41 HE3 LYS 8 2HE LYS 8 -5.082 -7.422 2.607
42 HZ1 LYS 8 3HZ LYS 8 -5.478 -5.228 3.616
43 HZ2 LYS 8 1HZ LYS 8 -5.029 -6.275 4.779
44 HZ3 LYS 8 2HZ LYS 8 -6.595 -5.854 4.642
45 HA PRO 9 HA PRO 9 -5.261 -6.538 -5.002
46 HB2 PRO 9 1HB PRO 9 -6.240 -4.141 -5.855
47 HB3 PRO 9 2HB PRO 9 -7.224 -5.629 -5.705
48 HG2 PRO 9 1HG PRO 9 -6.899 -3.417 -3.653
49 HG3 PRO 9 2HG PRO 9 -8.438 -4.087 -4.308
50 HD2 PRO 9 1HD PRO 9 -7.420 -4.947 -1.963
51 HD3 PRO 9 2HD PRO 9 -8.096 -6.133 -3.121
52 H PHE 10 H PHE 10 -4.888 -3.635 -2.856
53 HA PHE 10 HA PHE 10 -2.358 -2.946 -4.300
54 HB2 PHE 10 1HB PHE 10 -4.110 -1.183 -2.601
55 HB3 PHE 10 2HB PHE 10 -2.718 -0.701 -3.538
56 HD1 PHE 10 1HD PHE 10 -2.680 -1.134 -6.062
57 HD2 PHE 10 2HD PHE 10 -6.271 -1.190 -3.685
58 HE1 PHE 10 1HE PHE 10 -4.036 -0.964 -8.118
59 HE2 PHE 10 2HE PHE 10 -7.640 -1.056 -5.749
60 HZ PHE 10 HZ PHE 10 -6.521 -0.918 -7.983
61 H LYS 11 H LYS 11 -1.065 -4.257 -3.445
62 HA LYS 11 HA LYS 11 -0.419 -4.294 -0.559
63 HB2 LYS 11 1HB LYS 11 -0.627 -6.327 -2.150
64 HB3 LYS 11 2HB LYS 11 0.928 -5.845 -2.804
65 HG2 LYS 11 1HG LYS 11 0.336 -6.604 0.095
66 HG3 LYS 11 2HG LYS 11 1.028 -7.657 -1.131
67 HD2 LYS 11 1HD LYS 11 2.984 -6.059 -1.311
68 HD3 LYS 11 2HD LYS 11 2.316 -5.210 0.114
69 HE2 LYS 11 1HE LYS 11 2.384 -7.281 1.417
70 HE3 LYS 11 2HE LYS 11 3.003 -8.176 0.025
71 HZ1 LYS 11 3HZ LYS 11 4.416 -5.881 1.266
72 HZ2 LYS 11 1HZ LYS 11 5.018 -6.884 0.113
73 HZ3 LYS 11 2HZ LYS 11 4.711 -7.457 1.635
74 H CYS 12 H CYS 12 0.930 -2.924 0.219
75 HA CYS 12 HA CYS 12 2.451 -0.921 -0.997
76 HB2 CYS 12 1HB CYS 12 1.737 -1.039 1.340
77 HB3 CYS 12 2HB CYS 12 2.829 -2.400 1.629
78 H SER 13 H SER 13 4.475 -0.706 -1.808
79 HA SER 13 HA SER 13 5.970 -3.112 -2.556
80 HB2 SER 13 1HB SER 13 7.393 -1.533 -3.809
81 HB3 SER 13 2HB SER 13 5.673 -1.373 -4.197
82 HG SER 13 HG SER 13 6.692 0.664 -3.874
83 H LEU 14 H LEU 14 5.935 -1.299 0.217
84 HA LEU 14 HA LEU 14 8.875 -1.543 0.779
85 HB2 LEU 14 1HB LEU 14 6.800 0.290 2.025
86 HB3 LEU 14 2HB LEU 14 8.530 0.360 2.268
87 HG LEU 14 HG LEU 14 7.195 0.839 -0.439
88 HD11 LEU 14 1HD1 LEU 14 8.182 2.873 1.573
89 HD12 LEU 14 2HD1 LEU 14 6.491 2.545 1.107
90 HD13 LEU 14 3HD1 LEU 14 7.604 3.214 -0.083
91 HD21 LEU 14 3HD2 LEU 14 10.025 1.393 0.545
92 HD22 LEU 14 1HD2 LEU 14 9.367 1.838 -1.050
93 HD23 LEU 14 2HD2 LEU 14 9.542 0.132 -0.615
94 H CYS 15 H CYS 15 5.648 -2.001 2.124
95 HA CYS 15 HA CYS 15 6.740 -3.846 4.197
96 HB2 CYS 15 1HB CYS 15 5.601 -2.831 5.940
97 HB3 CYS 15 2HB CYS 15 6.340 -1.508 5.066
98 H GLU 16 H GLU 16 4.589 -4.653 5.473
99 HA GLU 16 HA GLU 16 3.270 -6.369 3.469
100 HB2 GLU 16 1HB GLU 16 4.445 -6.957 5.876
101 HB3 GLU 16 2HB GLU 16 2.782 -6.742 6.389
102 HG2 GLU 16 1HG GLU 16 2.929 -9.030 5.918
103 HG3 GLU 16 2HG GLU 16 2.199 -8.411 4.441
104 H TYR 17 H TYR 17 2.501 -3.424 4.393
105 HA TYR 17 HA TYR 17 -0.297 -3.589 5.065
106 HB2 TYR 17 1HB TYR 17 1.102 -1.608 5.313
107 HB3 TYR 17 2HB TYR 17 1.339 -1.494 3.589
108 HD1 TYR 17 2HD TYR 17 -0.947 -0.960 6.414
109 HD2 TYR 17 1HD TYR 17 -0.539 -0.620 2.138
110 HE1 TYR 17 2HE TYR 17 -2.853 0.641 6.351
111 HE2 TYR 17 1HE TYR 17 -2.443 1.034 2.070
112 HH TYR 17 HH TYR 17 -4.103 2.083 3.367
113 H ALA 18 H ALA 18 -2.132 -3.734 3.858
114 HA ALA 18 HA ALA 18 -2.020 -3.294 1.024
115 HB1 ALA 18 1HB ALA 18 -1.385 -5.703 1.177
116 HB2 ALA 18 2HB ALA 18 -2.943 -6.041 1.941
117 HB3 ALA 18 3HB ALA 18 -2.887 -5.422 0.259
118 H THR 19 H THR 19 -3.929 -2.726 0.093
119 HA THR 19 HA THR 19 -6.380 -2.543 1.802
120 HB THR 19 HB THR 19 -5.110 -0.491 2.143
121 HG1 THR 19 1HG THR 19 -6.705 0.807 1.755
122 HG21 THR 19 3HG2 THR 19 -3.722 -0.432 0.158
123 HG22 THR 19 1HG2 THR 19 -4.656 1.046 0.351
124 HG23 THR 19 2HG2 THR 19 -5.153 -0.150 -0.863
125 H ARG 20 H ARG 20 -8.277 -1.855 0.661
126 HA ARG 20 HA ARG 20 -8.628 -3.089 -2.003
127 HB2 ARG 20 1HB ARG 20 -10.524 -1.879 0.038
128 HB3 ARG 20 2HB ARG 20 -11.066 -2.402 -1.548
129 HG2 ARG 20 1HG ARG 20 -9.672 -4.244 0.436
130 HG3 ARG 20 2HG ARG 20 -11.414 -4.067 0.321
131 HD2 ARG 20 1HD ARG 20 -9.658 -4.996 -1.987
132 HD3 ARG 20 2HD ARG 20 -10.493 -6.076 -0.893
133 HE ARG 20 HE ARG 20 -11.649 -4.444 -3.054
134 HH11 ARG 20 2HH1 ARG 20 -12.480 -6.355 -0.229
135 HH12 ARG 20 1HH1 ARG 20 -14.125 -6.574 -0.760
136 HH21 ARG 20 2HH2 ARG 20 -13.754 -4.765 -3.657
137 HH22 ARG 20 1HH2 ARG 20 -14.818 -5.696 -2.646
138 H SER 21 H SER 21 -7.868 0.051 -0.904
139 HA SER 21 HA SER 21 -8.864 1.240 -3.478
140 HB2 SER 21 1HB SER 21 -10.100 2.225 -1.747
141 HB3 SER 21 2HB SER 21 -8.680 2.430 -0.718
142 HG SER 21 HG SER 21 -9.446 4.346 -1.922
143 H LYS 22 H LYS 22 -7.445 1.969 -4.856
144 HA LYS 22 HA LYS 22 -4.611 1.866 -4.443
145 HB2 LYS 22 1HB LYS 22 -5.992 1.685 -6.605
146 HB3 LYS 22 2HB LYS 22 -6.069 3.442 -6.609
147 HG2 LYS 22 1HG LYS 22 -3.590 3.551 -6.703
148 HG3 LYS 22 2HG LYS 22 -3.503 1.783 -6.567
149 HD2 LYS 22 1HD LYS 22 -4.916 1.652 -8.689
150 HD3 LYS 22 2HD LYS 22 -4.685 3.391 -8.882
151 HE2 LYS 22 1HE LYS 22 -2.468 1.293 -8.705
152 HE3 LYS 22 2HE LYS 22 -3.120 1.939 -10.212
153 HZ1 LYS 22 3HZ LYS 22 -1.715 3.554 -8.149
154 HZ2 LYS 22 1HZ LYS 22 -2.353 4.153 -9.533
155 HZ3 LYS 22 2HZ LYS 22 -1.101 3.111 -9.593
156 H SER 23 H SER 23 -6.927 4.544 -4.251
157 HA SER 23 HA SER 23 -5.017 6.646 -3.770
158 HB2 SER 23 1HB SER 23 -7.958 6.428 -3.031
159 HB3 SER 23 2HB SER 23 -6.981 7.909 -2.952
160 HG SER 23 HG SER 23 -8.163 7.721 -4.932
161 H ASN 24 H ASN 24 -6.612 4.291 -1.627
162 HA ASN 24 HA ASN 24 -5.716 5.559 0.831
163 HB2 ASN 24 1HB ASN 24 -7.707 4.073 0.666
164 HB3 ASN 24 2HB ASN 24 -6.629 2.710 0.292
165 HD21 ASN 24 1HD2 ASN 24 -7.199 5.209 2.851
166 HD22 ASN 24 2HD2 ASN 24 -6.692 4.124 4.136
167 H LEU 25 H LEU 25 -4.439 2.716 -1.078
168 HA LEU 25 HA LEU 25 -2.079 2.464 0.435
169 HB2 LEU 25 1HB LEU 25 -2.606 0.818 -1.274
170 HB3 LEU 25 2HB LEU 25 -2.451 2.010 -2.559
171 HG LEU 25 HG LEU 25 -0.078 2.205 -2.114
172 HD11 LEU 25 1HD1 LEU 25 1.106 0.796 -0.478
173 HD12 LEU 25 2HD1 LEU 25 -0.446 0.122 0.068
174 HD13 LEU 25 3HD1 LEU 25 -0.043 1.832 0.350
175 HD21 LEU 25 3HD2 LEU 25 0.727 0.007 -2.756
176 HD22 LEU 25 1HD2 LEU 25 -0.758 0.408 -3.633
177 HD23 LEU 25 2HD2 LEU 25 -0.807 -0.720 -2.252
178 H LYS 26 H LYS 26 -2.679 4.592 -2.311
179 HA LYS 26 HA LYS 26 -0.134 5.857 -2.498
180 HB2 LYS 26 1HB LYS 26 -1.888 6.122 -4.140
181 HB3 LYS 26 2HB LYS 26 -2.905 6.993 -3.011
182 HG2 LYS 26 1HG LYS 26 -0.160 8.056 -3.729
183 HG3 LYS 26 2HG LYS 26 -1.479 8.230 -4.866
184 HD2 LYS 26 1HD LYS 26 -1.411 9.390 -2.049
185 HD3 LYS 26 2HD LYS 26 -1.174 10.268 -3.542
186 HE2 LYS 26 1HE LYS 26 -3.761 8.859 -2.730
187 HE3 LYS 26 2HE LYS 26 -3.425 10.574 -2.526
188 HZ1 LYS 26 3HZ LYS 26 -4.679 10.198 -4.552
189 HZ2 LYS 26 1HZ LYS 26 -3.546 9.193 -5.157
190 HZ3 LYS 26 2HZ LYS 26 -3.209 10.779 -4.941
191 H ALA 27 H ALA 27 -2.738 6.533 -0.194
192 HA ALA 27 HA ALA 27 -1.406 8.835 1.000
193 HB1 ALA 27 1HB ALA 27 -3.625 7.036 2.073
194 HB2 ALA 27 2HB ALA 27 -3.163 8.626 2.707
195 HB3 ALA 27 3HB ALA 27 -3.863 8.492 1.080
196 H HIS 28 H HIS 28 -1.562 5.336 1.740
197 HA HIS 28 HA HIS 28 0.054 5.387 4.125
198 HB2 HIS 28 1HB HIS 28 -1.387 3.563 3.725
199 HB3 HIS 28 2HB HIS 28 -0.722 3.263 2.127
200 HD1 HIS 28 1HD HIS 28 0.082 2.609 5.794
201 HD2 HIS 28 2HD HIS 28 1.623 2.000 1.930
202 HE1 HIS 28 1HE HIS 28 2.010 0.985 6.069
203 H MET 29 H MET 29 0.894 5.070 0.667
204 HA MET 29 HA MET 29 3.710 4.655 1.007
205 HB2 MET 29 1HB MET 29 2.237 5.997 -1.282
206 HB3 MET 29 2HB MET 29 3.870 5.353 -1.345
207 HG2 MET 29 1HG MET 29 1.884 3.312 -0.478
208 HG3 MET 29 2HG MET 29 1.499 4.058 -1.987
209 HE1 MET 29 3HE MET 29 5.092 3.198 -0.606
210 HE2 MET 29 1HE MET 29 3.910 2.000 -0.031
211 HE3 MET 29 2HE MET 29 5.175 1.512 -1.183
212 H ASN 30 H ASN 30 1.748 7.632 0.997
213 HA ASN 30 HA ASN 30 4.065 9.407 1.178
214 HB2 ASN 30 1HB ASN 30 1.071 9.788 1.479
215 HB3 ASN 30 2HB ASN 30 2.206 11.040 1.968
216 HD21 ASN 30 1HD2 ASN 30 1.137 9.134 -0.884
217 HD22 ASN 30 2HD2 ASN 30 1.733 10.334 -2.023
218 H ARG 31 H ARG 31 2.295 7.502 3.580
219 HA ARG 31 HA ARG 31 3.417 8.923 5.884
220 HB2 ARG 31 1HB ARG 31 2.455 6.038 5.718
221 HB3 ARG 31 2HB ARG 31 2.885 6.913 7.176
222 HG2 ARG 31 1HG ARG 31 1.067 8.567 6.758
223 HG3 ARG 31 2HG ARG 31 0.607 7.676 5.307
224 HD2 ARG 31 1HD ARG 31 -0.893 7.028 7.039
225 HD3 ARG 31 2HD ARG 31 0.176 5.650 6.709
226 HE ARG 31 HE ARG 31 1.289 7.213 8.833
227 HH11 ARG 31 2HH1 ARG 31 -1.469 5.104 8.359
228 HH12 ARG 31 1HH1 ARG 31 -1.514 4.637 10.038
229 HH21 ARG 31 2HH2 ARG 31 1.176 6.573 10.958
230 HH22 ARG 31 1HH2 ARG 31 -0.057 5.458 11.464
231 H HIS 32 H HIS 32 4.499 6.122 3.925
232 HA HIS 32 HA HIS 32 6.926 5.670 5.355
233 HB2 HIS 32 1HB HIS 32 6.154 5.206 2.452
234 HB3 HIS 32 2HB HIS 32 7.748 4.821 3.071
235 HD1 HIS 32 1HD HIS 32 7.770 2.985 5.191
236 HD2 HIS 32 2HD HIS 32 4.444 3.231 2.633
237 HE1 HIS 32 1HE HIS 32 6.596 0.748 5.378
238 H SER 33 H SER 33 6.169 8.122 2.864
239 HA SER 33 HA SER 33 8.823 9.093 2.513
240 HB2 SER 33 1HB SER 33 6.192 10.562 2.138
241 HB3 SER 33 2HB SER 33 7.764 11.062 1.505
242 HG SER 33 HG SER 33 6.629 9.931 -0.084
243 H THR 34 H THR 34 7.008 9.365 5.391
244 HA THR 34 HA THR 34 7.890 12.034 6.156
245 HB THR 34 HB THR 34 7.124 11.509 8.393
246 HG1 THR 34 1HG THR 34 6.366 8.958 7.435
247 HG21 THR 34 3HG2 THR 34 4.747 11.108 7.928
248 HG22 THR 34 1HG2 THR 34 5.137 10.602 6.269
249 HG23 THR 34 2HG2 THR 34 5.451 12.268 6.788
250 H GLU 35 H GLU 35 9.536 9.001 6.115
251 HA GLU 35 HA GLU 35 11.874 10.290 7.418
252 HB2 GLU 35 1HB GLU 35 10.726 8.950 9.158
253 HB3 GLU 35 2HB GLU 35 10.883 7.504 8.152
254 HG2 GLU 35 1HG GLU 35 13.360 7.719 8.242
255 HG3 GLU 35 2HG GLU 35 13.204 9.203 9.182
256 H LYS 36 H LYS 36 13.244 10.408 5.787
257 HA LYS 36 HA LYS 36 13.875 8.057 4.068
258 HB2 LYS 36 1HB LYS 36 13.266 10.900 3.147
259 HB3 LYS 36 2HB LYS 36 14.000 9.677 2.129
260 HG2 LYS 36 1HG LYS 36 11.209 9.533 3.354
261 HG3 LYS 36 2HG LYS 36 11.584 9.966 1.696
262 HD2 LYS 36 1HD LYS 36 12.068 7.236 2.965
263 HD3 LYS 36 2HD LYS 36 10.765 7.666 1.857
264 HE2 LYS 36 1HE LYS 36 12.444 8.211 0.097
265 HE3 LYS 36 2HE LYS 36 13.745 7.740 1.200
266 HZ1 LYS 36 3HZ LYS 36 13.158 5.921 -0.288
267 HZ2 LYS 36 1HZ LYS 36 11.607 5.925 0.216
268 HZ3 LYS 36 2HZ LYS 36 12.804 5.492 1.246
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 4.998 -21.800 -9.315
2 H2 GLY 1 2H GLY 1 6.290 -21.955 -10.312
3 H3 GLY 1 3H GLY 1 5.551 -20.501 -10.139
4 HA2 GLY 1 1HA GLY 1 7.029 -21.934 -8.029
5 HA3 GLY 1 2HA GLY 1 7.622 -20.519 -8.918
6 H SER 2 H SER 2 7.846 -19.819 -6.611
7 HA SER 2 HA SER 2 7.344 -18.534 -4.839
8 HB2 SER 2 1HB SER 2 5.017 -17.494 -6.480
9 HB3 SER 2 2HB SER 2 5.716 -16.736 -5.044
10 HG SER 2 HG SER 2 6.557 -15.856 -6.995
11 H SER 3 H SER 3 5.675 -17.868 -3.148
12 HA SER 3 HA SER 3 3.551 -19.863 -2.663
13 HB2 SER 3 1HB SER 3 4.441 -20.361 -0.394
14 HB3 SER 3 2HB SER 3 5.456 -20.962 -1.705
15 HG SER 3 HG SER 3 5.909 -18.645 -0.097
16 H GLY 4 H GLY 4 2.069 -19.299 -1.019
17 HA2 GLY 4 1HA GLY 4 0.799 -17.891 0.309
18 HA3 GLY 4 2HA GLY 4 2.127 -16.740 0.371
19 H SER 5 H SER 5 -0.122 -15.550 0.299
20 HA SER 5 HA SER 5 -0.551 -14.473 -2.449
21 HB2 SER 5 1HB SER 5 -2.766 -15.363 -0.557
22 HB3 SER 5 2HB SER 5 -2.997 -14.474 -2.073
23 HG SER 5 HG SER 5 -3.298 -16.745 -2.322
24 H SER 6 H SER 6 -1.265 -12.324 -2.534
25 HA SER 6 HA SER 6 -0.666 -10.630 -0.240
26 HB2 SER 6 1HB SER 6 -1.285 -8.809 -1.847
27 HB3 SER 6 2HB SER 6 -0.014 -9.900 -2.428
28 HG SER 6 HG SER 6 -1.643 -9.480 -4.021
29 H GLY 7 H GLY 7 -3.611 -11.880 -1.692
30 HA2 GLY 7 1HA GLY 7 -5.758 -12.015 -0.844
31 HA3 GLY 7 2HA GLY 7 -5.234 -11.136 0.593
32 H LYS 8 H LYS 8 -4.455 -8.729 -0.331
33 HA LYS 8 HA LYS 8 -6.961 -7.478 -1.373
34 HB2 LYS 8 1HB LYS 8 -4.740 -6.541 0.446
35 HB3 LYS 8 2HB LYS 8 -5.756 -5.376 -0.387
36 HG2 LYS 8 1HG LYS 8 -6.612 -5.657 1.799
37 HG3 LYS 8 2HG LYS 8 -7.774 -6.371 0.676
38 HD2 LYS 8 1HD LYS 8 -7.096 -8.626 1.321
39 HD3 LYS 8 2HD LYS 8 -5.687 -7.999 2.188
40 HE2 LYS 8 1HE LYS 8 -7.287 -8.600 3.828
41 HE3 LYS 8 2HE LYS 8 -7.212 -6.837 3.786
42 HZ1 LYS 8 3HZ LYS 8 -9.316 -8.493 2.479
43 HZ2 LYS 8 1HZ LYS 8 -9.275 -6.855 2.477
44 HZ3 LYS 8 2HZ LYS 8 -9.506 -7.666 3.870
45 HA PRO 9 HA PRO 9 -5.142 -6.465 -5.183
46 HB2 PRO 9 1HB PRO 9 -6.301 -4.094 -5.909
47 HB3 PRO 9 2HB PRO 9 -7.176 -5.654 -5.818
48 HG2 PRO 9 1HG PRO 9 -6.957 -3.534 -3.656
49 HG3 PRO 9 2HG PRO 9 -8.463 -4.260 -4.328
50 HD2 PRO 9 1HD PRO 9 -7.383 -5.188 -2.050
51 HD3 PRO 9 2HD PRO 9 -7.954 -6.361 -3.278
52 H PHE 10 H PHE 10 -4.875 -3.698 -2.869
53 HA PHE 10 HA PHE 10 -2.359 -2.832 -4.257
54 HB2 PHE 10 1HB PHE 10 -4.184 -1.170 -2.530
55 HB3 PHE 10 2HB PHE 10 -2.811 -0.632 -3.461
56 HD1 PHE 10 1HD PHE 10 -2.798 -0.891 -5.994
57 HD2 PHE 10 2HD PHE 10 -6.352 -1.296 -3.598
58 HE1 PHE 10 1HE PHE 10 -4.184 -0.687 -8.026
59 HE2 PHE 10 2HE PHE 10 -7.755 -1.104 -5.643
60 HZ PHE 10 HZ PHE 10 -6.675 -0.791 -7.866
61 H LYS 11 H LYS 11 -1.065 -4.156 -3.387
62 HA LYS 11 HA LYS 11 -0.513 -4.188 -0.467
63 HB2 LYS 11 1HB LYS 11 -0.783 -6.285 -1.877
64 HB3 LYS 11 2HB LYS 11 0.708 -5.860 -2.701
65 HG2 LYS 11 1HG LYS 11 0.387 -6.539 0.261
66 HG3 LYS 11 2HG LYS 11 1.024 -7.586 -1.006
67 HD2 LYS 11 1HD LYS 11 2.815 -5.756 -1.377
68 HD3 LYS 11 2HD LYS 11 2.279 -5.120 0.202
69 HE2 LYS 11 1HE LYS 11 2.785 -7.289 1.255
70 HE3 LYS 11 2HE LYS 11 3.311 -7.935 -0.310
71 HZ1 LYS 11 3HZ LYS 11 5.210 -7.113 0.980
72 HZ2 LYS 11 1HZ LYS 11 4.535 -5.614 1.085
73 HZ3 LYS 11 2HZ LYS 11 5.024 -6.185 -0.361
74 H CYS 12 H CYS 12 0.875 -2.857 0.297
75 HA CYS 12 HA CYS 12 2.419 -0.884 -0.922
76 HB2 CYS 12 1HB CYS 12 1.719 -0.998 1.419
77 HB3 CYS 12 2HB CYS 12 2.787 -2.381 1.697
78 H SER 13 H SER 13 4.389 -0.732 -1.855
79 HA SER 13 HA SER 13 5.856 -3.153 -2.557
80 HB2 SER 13 1HB SER 13 7.301 -1.606 -3.831
81 HB3 SER 13 2HB SER 13 5.581 -1.425 -4.208
82 HG SER 13 HG SER 13 6.631 0.599 -3.910
83 H LEU 14 H LEU 14 5.874 -1.386 0.229
84 HA LEU 14 HA LEU 14 8.816 -1.653 0.756
85 HB2 LEU 14 1HB LEU 14 6.789 0.237 1.995
86 HB3 LEU 14 2HB LEU 14 8.522 0.283 2.206
87 HG LEU 14 HG LEU 14 7.138 0.737 -0.482
88 HD11 LEU 14 1HD1 LEU 14 7.580 3.106 -0.182
89 HD12 LEU 14 2HD1 LEU 14 8.208 2.789 1.459
90 HD13 LEU 14 3HD1 LEU 14 6.498 2.477 1.056
91 HD21 LEU 14 3HD2 LEU 14 9.996 1.265 0.430
92 HD22 LEU 14 1HD2 LEU 14 9.311 1.686 -1.159
93 HD23 LEU 14 2HD2 LEU 14 9.472 -0.012 -0.694
94 H CYS 15 H CYS 15 5.597 -2.034 2.157
95 HA CYS 15 HA CYS 15 6.697 -3.867 4.240
96 HB2 CYS 15 1HB CYS 15 5.649 -2.783 5.993
97 HB3 CYS 15 2HB CYS 15 6.354 -1.495 5.049
98 H GLU 16 H GLU 16 4.545 -4.599 5.583
99 HA GLU 16 HA GLU 16 3.174 -6.362 3.649
100 HB2 GLU 16 1HB GLU 16 4.420 -7.075 5.824
101 HB3 GLU 16 2HB GLU 16 2.971 -6.531 6.668
102 HG2 GLU 16 1HG GLU 16 1.625 -8.199 5.407
103 HG3 GLU 16 2HG GLU 16 3.038 -8.623 4.440
104 H TYR 17 H TYR 17 2.469 -3.369 4.501
105 HA TYR 17 HA TYR 17 -0.344 -3.507 5.169
106 HB2 TYR 17 1HB TYR 17 1.053 -1.527 5.428
107 HB3 TYR 17 2HB TYR 17 1.331 -1.441 3.708
108 HD1 TYR 17 1HD TYR 17 -0.484 -0.692 2.167
109 HD2 TYR 17 2HD TYR 17 -1.037 -0.738 6.437
110 HE1 TYR 17 1HE TYR 17 -2.395 0.918 1.924
111 HE2 TYR 17 2HE TYR 17 -2.950 0.850 6.197
112 HH TYR 17 HH TYR 17 -3.981 2.147 3.038
113 H ALA 18 H ALA 18 -2.147 -3.675 3.942
114 HA ALA 18 HA ALA 18 -2.002 -3.186 1.107
115 HB1 ALA 18 1HB ALA 18 -2.882 -5.286 0.324
116 HB2 ALA 18 2HB ALA 18 -1.433 -5.633 1.301
117 HB3 ALA 18 3HB ALA 18 -3.038 -5.901 2.001
118 H THR 19 H THR 19 -3.981 -2.771 0.107
119 HA THR 19 HA THR 19 -6.428 -2.597 1.796
120 HB THR 19 HB THR 19 -5.165 -0.498 2.152
121 HG1 THR 19 1HG THR 19 -7.422 -0.416 2.089
122 HG21 THR 19 3HG2 THR 19 -3.877 -0.374 0.109
123 HG22 THR 19 1HG2 THR 19 -4.823 1.082 0.398
124 HG23 THR 19 2HG2 THR 19 -5.359 -0.078 -0.834
125 H ARG 20 H ARG 20 -8.322 -1.881 0.588
126 HA ARG 20 HA ARG 20 -8.552 -3.198 -2.042
127 HB2 ARG 20 1HB ARG 20 -10.520 -2.146 0.002
128 HB3 ARG 20 2HB ARG 20 -11.051 -2.612 -1.605
129 HG2 ARG 20 1HG ARG 20 -9.464 -4.503 0.176
130 HG3 ARG 20 2HG ARG 20 -11.219 -4.390 0.252
131 HD2 ARG 20 1HD ARG 20 -9.695 -5.068 -2.297
132 HD3 ARG 20 2HD ARG 20 -10.352 -6.265 -1.175
133 HE ARG 20 HE ARG 20 -12.445 -4.476 -1.882
134 HH11 ARG 20 2HH1 ARG 20 -10.595 -7.034 -3.413
135 HH12 ARG 20 1HH1 ARG 20 -11.848 -7.356 -4.578
136 HH21 ARG 20 2HH2 ARG 20 -13.997 -4.952 -3.392
137 HH22 ARG 20 1HH2 ARG 20 -13.723 -6.218 -4.552
138 H SER 21 H SER 21 -7.855 -0.028 -1.111
139 HA SER 21 HA SER 21 -8.791 0.952 -3.786
140 HB2 SER 21 1HB SER 21 -10.260 1.806 -1.992
141 HB3 SER 21 2HB SER 21 -8.848 2.563 -1.221
142 HG SER 21 HG SER 21 -9.908 4.036 -2.621
143 H LYS 22 H LYS 22 -7.368 1.909 -5.021
144 HA LYS 22 HA LYS 22 -4.584 1.959 -4.468
145 HB2 LYS 22 1HB LYS 22 -5.732 1.841 -6.713
146 HB3 LYS 22 2HB LYS 22 -6.103 3.557 -6.579
147 HG2 LYS 22 1HG LYS 22 -3.614 4.006 -6.386
148 HG3 LYS 22 2HG LYS 22 -3.326 2.283 -6.662
149 HD2 LYS 22 1HD LYS 22 -4.739 4.187 -8.588
150 HD3 LYS 22 2HD LYS 22 -3.042 3.701 -8.692
151 HE2 LYS 22 1HE LYS 22 -3.719 1.333 -8.968
152 HE3 LYS 22 2HE LYS 22 -5.424 1.802 -8.879
153 HZ1 LYS 22 3HZ LYS 22 -5.089 3.143 -10.890
154 HZ2 LYS 22 1HZ LYS 22 -4.686 1.590 -11.183
155 HZ3 LYS 22 2HZ LYS 22 -3.516 2.706 -10.974
156 H SER 23 H SER 23 -7.001 4.572 -4.200
157 HA SER 23 HA SER 23 -5.091 6.674 -3.670
158 HB2 SER 23 1HB SER 23 -7.053 7.981 -2.987
159 HB3 SER 23 2HB SER 23 -7.304 7.166 -4.541
160 HG SER 23 HG SER 23 -9.116 6.941 -3.147
161 H ASN 24 H ASN 24 -6.570 4.228 -1.611
162 HA ASN 24 HA ASN 24 -5.781 5.569 0.871
163 HB2 ASN 24 1HB ASN 24 -7.777 4.033 0.644
164 HB3 ASN 24 2HB ASN 24 -6.648 2.687 0.446
165 HD21 ASN 24 1HD2 ASN 24 -6.877 1.573 2.333
166 HD22 ASN 24 2HD2 ASN 24 -6.657 2.289 3.932
167 H LEU 25 H LEU 25 -4.496 2.743 -1.045
168 HA LEU 25 HA LEU 25 -2.144 2.487 0.486
169 HB2 LEU 25 1HB LEU 25 -2.676 0.827 -1.208
170 HB3 LEU 25 2HB LEU 25 -2.512 2.011 -2.502
171 HG LEU 25 HG LEU 25 -0.147 2.209 -2.039
172 HD11 LEU 25 1HD1 LEU 25 -0.116 1.843 0.418
173 HD12 LEU 25 2HD1 LEU 25 1.034 0.798 -0.398
174 HD13 LEU 25 3HD1 LEU 25 -0.523 0.131 0.144
175 HD21 LEU 25 3HD2 LEU 25 -0.862 -0.714 -2.188
176 HD22 LEU 25 1HD2 LEU 25 0.672 0.023 -2.682
177 HD23 LEU 25 2HD2 LEU 25 -0.812 0.420 -3.566
178 H LYS 26 H LYS 26 -2.686 4.604 -2.299
179 HA LYS 26 HA LYS 26 -0.202 5.927 -2.507
180 HB2 LYS 26 1HB LYS 26 -2.201 6.291 -3.966
181 HB3 LYS 26 2HB LYS 26 -2.988 7.137 -2.641
182 HG2 LYS 26 1HG LYS 26 -0.849 8.743 -2.782
183 HG3 LYS 26 2HG LYS 26 -0.687 8.011 -4.379
184 HD2 LYS 26 1HD LYS 26 -1.978 9.958 -4.719
185 HD3 LYS 26 2HD LYS 26 -3.169 8.637 -4.729
186 HE2 LYS 26 1HE LYS 26 -3.765 9.133 -2.381
187 HE3 LYS 26 2HE LYS 26 -2.508 10.375 -2.306
188 HZ1 LYS 26 3HZ LYS 26 -4.874 10.484 -4.104
189 HZ2 LYS 26 1HZ LYS 26 -3.715 11.629 -4.001
190 HZ3 LYS 26 2HZ LYS 26 -4.695 11.348 -2.730
191 H ALA 27 H ALA 27 -2.791 6.586 -0.194
192 HA ALA 27 HA ALA 27 -1.494 8.830 1.111
193 HB1 ALA 27 1HB ALA 27 -3.945 8.474 1.123
194 HB2 ALA 27 2HB ALA 27 -3.728 7.015 2.117
195 HB3 ALA 27 3HB ALA 27 -3.283 8.603 2.765
196 H HIS 28 H HIS 28 -1.597 5.317 1.807
197 HA HIS 28 HA HIS 28 0.010 5.390 4.196
198 HB2 HIS 28 1HB HIS 28 -1.398 3.549 3.804
199 HB3 HIS 28 2HB HIS 28 -0.738 3.258 2.201
200 HD1 HIS 28 1HD HIS 28 0.125 2.659 5.875
201 HD2 HIS 28 2HD HIS 28 1.595 1.983 1.995
202 HE1 HIS 28 1HE HIS 28 2.068 1.051 6.142
203 H MET 29 H MET 29 0.856 5.062 0.727
204 HA MET 29 HA MET 29 3.667 4.631 1.074
205 HB2 MET 29 1HB MET 29 2.226 5.969 -1.240
206 HB3 MET 29 2HB MET 29 3.844 5.291 -1.285
207 HG2 MET 29 1HG MET 29 1.835 3.286 -0.414
208 HG3 MET 29 2HG MET 29 1.438 4.045 -1.916
209 HE1 MET 29 3HE MET 29 5.039 3.143 -0.596
210 HE2 MET 29 1HE MET 29 3.860 1.946 -0.010
211 HE3 MET 29 2HE MET 29 5.106 1.460 -1.186
212 H ASN 30 H ASN 30 1.738 7.622 0.999
213 HA ASN 30 HA ASN 30 4.002 9.424 1.053
214 HB2 ASN 30 1HB ASN 30 1.037 9.688 1.581
215 HB3 ASN 30 2HB ASN 30 2.130 10.970 2.082
216 HD21 ASN 30 1HD2 ASN 30 1.088 9.113 -0.818
217 HD22 ASN 30 2HD2 ASN 30 1.572 10.392 -1.928
218 H ARG 31 H ARG 31 2.513 7.494 3.611
219 HA ARG 31 HA ARG 31 3.781 8.949 5.817
220 HB2 ARG 31 1HB ARG 31 2.835 6.056 5.784
221 HB3 ARG 31 2HB ARG 31 3.221 7.033 7.193
222 HG2 ARG 31 1HG ARG 31 1.349 8.576 6.680
223 HG3 ARG 31 2HG ARG 31 0.933 7.594 5.265
224 HD2 ARG 31 1HD ARG 31 0.588 5.624 6.749
225 HD3 ARG 31 2HD ARG 31 0.905 6.664 8.156
226 HE ARG 31 HE ARG 31 -1.144 7.855 6.562
227 HH11 ARG 31 2HH2 ARG 31 -0.780 5.114 8.715
228 HH12 ARG 31 1HH2 ARG 31 -2.475 5.090 9.118
229 HH21 ARG 31 2HH1 ARG 31 -3.292 7.775 7.130
230 HH22 ARG 31 1HH1 ARG 31 -3.852 6.562 8.242
231 H HIS 32 H HIS 32 4.706 6.153 3.802
232 HA HIS 32 HA HIS 32 7.262 5.720 5.094
233 HB2 HIS 32 1HB HIS 32 6.243 5.077 2.297
234 HB3 HIS 32 2HB HIS 32 7.845 4.654 2.869
235 HD1 HIS 32 1HD HIS 32 7.850 2.967 5.139
236 HD2 HIS 32 2HD HIS 32 4.501 3.175 2.609
237 HE1 HIS 32 1HE HIS 32 6.611 0.780 5.462
238 H SER 33 H SER 33 6.161 7.945 2.577
239 HA SER 33 HA SER 33 8.804 8.810 1.781
240 HB2 SER 33 1HB SER 33 6.662 8.688 0.381
241 HB3 SER 33 2HB SER 33 6.197 10.213 1.151
242 HG SER 33 HG SER 33 8.187 11.093 0.355
243 H THR 34 H THR 34 7.630 9.402 4.701
244 HA THR 34 HA THR 34 8.963 12.030 4.913
245 HB THR 34 HB THR 34 6.523 12.466 4.624
246 HG1 THR 34 1HG THR 34 6.507 13.955 6.277
247 HG21 THR 34 3HG2 THR 34 5.605 10.548 5.914
248 HG22 THR 34 1HG2 THR 34 4.992 12.106 6.478
249 HG23 THR 34 2HG2 THR 34 6.243 11.258 7.412
250 H GLU 35 H GLU 35 9.286 12.646 7.249
251 HA GLU 35 HA GLU 35 9.819 10.317 9.026
252 HB2 GLU 35 1HB GLU 35 11.929 12.322 8.127
253 HB3 GLU 35 2HB GLU 35 12.116 11.172 9.454
254 HG2 GLU 35 1HG GLU 35 11.772 9.285 7.856
255 HG3 GLU 35 2HG GLU 35 11.696 10.445 6.524
256 H LYS 36 H LYS 36 10.124 10.828 11.211
257 HA LYS 36 HA LYS 36 9.791 13.575 12.191
258 HB2 LYS 36 1HB LYS 36 7.873 13.056 13.603
259 HB3 LYS 36 2HB LYS 36 7.479 12.906 11.893
260 HG2 LYS 36 1HG LYS 36 7.630 10.425 12.063
261 HG3 LYS 36 2HG LYS 36 8.103 10.569 13.760
262 HD2 LYS 36 1HD LYS 36 5.777 9.977 13.649
263 HD3 LYS 36 2HD LYS 36 5.919 11.621 14.287
264 HE2 LYS 36 1HE LYS 36 5.359 12.539 12.043
265 HE3 LYS 36 2HE LYS 36 5.259 10.898 11.393
266 HZ1 LYS 36 3HZ LYS 36 3.504 11.997 13.526
267 HZ2 LYS 36 1HZ LYS 36 3.405 10.481 12.923
268 HZ3 LYS 36 2HZ LYS 36 3.064 11.763 11.974
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 0.529 -22.628 9.008
2 H2 GLY 1 2H GLY 1 2.113 -22.311 8.733
3 H3 GLY 1 3H GLY 1 1.028 -22.185 7.512
4 HA2 GLY 1 1HA GLY 1 1.099 -20.475 9.910
5 HA3 GLY 1 2HA GLY 1 1.661 -19.997 8.299
6 H SER 2 H SER 2 -0.529 -18.931 10.073
7 HA SER 2 HA SER 2 -3.072 -19.551 8.853
8 HB2 SER 2 1HB SER 2 -2.255 -17.172 10.560
9 HB3 SER 2 2HB SER 2 -3.914 -17.683 10.193
10 HG SER 2 HG SER 2 -3.188 -18.470 12.232
11 H SER 3 H SER 3 -4.424 -18.216 7.614
12 HA SER 3 HA SER 3 -3.205 -15.975 6.061
13 HB2 SER 3 1HB SER 3 -4.775 -18.307 4.896
14 HB3 SER 3 2HB SER 3 -4.296 -16.847 4.016
15 HG SER 3 HG SER 3 -2.835 -18.599 3.695
16 H GLY 4 H GLY 4 -4.656 -14.419 5.290
17 HA2 GLY 4 1HA GLY 4 -7.084 -13.995 6.825
18 HA3 GLY 4 2HA GLY 4 -6.471 -12.987 5.520
19 H SER 5 H SER 5 -9.218 -13.695 5.996
20 HA SER 5 HA SER 5 -10.121 -15.815 4.316
21 HB2 SER 5 1HB SER 5 -11.655 -13.374 5.278
22 HB3 SER 5 2HB SER 5 -12.346 -14.904 4.706
23 HG SER 5 HG SER 5 -12.239 -14.813 6.999
24 H SER 6 H SER 6 -9.332 -12.504 3.508
25 HA SER 6 HA SER 6 -10.168 -12.925 0.676
26 HB2 SER 6 1HB SER 6 -10.795 -10.440 2.319
27 HB3 SER 6 2HB SER 6 -11.056 -10.628 0.576
28 HG SER 6 HG SER 6 -12.965 -11.028 1.796
29 H GLY 7 H GLY 7 -8.799 -12.119 -0.809
30 HA2 GLY 7 1HA GLY 7 -6.179 -11.096 -0.034
31 HA3 GLY 7 2HA GLY 7 -6.759 -11.407 -1.668
32 H LYS 8 H LYS 8 -5.206 -9.218 -1.156
33 HA LYS 8 HA LYS 8 -7.086 -6.926 -1.448
34 HB2 LYS 8 1HB LYS 8 -4.467 -6.960 0.081
35 HB3 LYS 8 2HB LYS 8 -5.278 -5.488 -0.452
36 HG2 LYS 8 1HG LYS 8 -6.050 -5.613 1.690
37 HG3 LYS 8 2HG LYS 8 -7.365 -6.397 0.820
38 HD2 LYS 8 1HD LYS 8 -6.313 -8.636 1.449
39 HD3 LYS 8 2HD LYS 8 -5.125 -7.745 2.408
40 HE2 LYS 8 1HE LYS 8 -6.890 -6.852 3.839
41 HE3 LYS 8 2HE LYS 8 -8.143 -7.508 2.775
42 HZ1 LYS 8 3HZ LYS 8 -7.799 -8.947 4.693
43 HZ2 LYS 8 1HZ LYS 8 -6.221 -9.158 4.325
44 HZ3 LYS 8 2HZ LYS 8 -7.382 -9.743 3.322
45 HA PRO 9 HA PRO 9 -5.055 -6.423 -5.333
46 HB2 PRO 9 1HB PRO 9 -6.018 -3.990 -6.127
47 HB3 PRO 9 2HB PRO 9 -7.024 -5.470 -6.033
48 HG2 PRO 9 1HG PRO 9 -6.687 -3.341 -3.884
49 HG3 PRO 9 2HG PRO 9 -8.229 -3.954 -4.589
50 HD2 PRO 9 1HD PRO 9 -7.181 -4.896 -2.285
51 HD3 PRO 9 2HD PRO 9 -7.943 -6.028 -3.460
52 H PHE 10 H PHE 10 -4.786 -3.681 -3.008
53 HA PHE 10 HA PHE 10 -2.230 -2.806 -4.299
54 HB2 PHE 10 1HB PHE 10 -4.121 -1.182 -2.603
55 HB3 PHE 10 2HB PHE 10 -2.740 -0.613 -3.506
56 HD1 PHE 10 1HD PHE 10 -2.684 -1.077 -6.077
57 HD2 PHE 10 2HD PHE 10 -6.258 -1.084 -3.676
58 HE1 PHE 10 1HE PHE 10 -4.050 -0.853 -8.122
59 HE2 PHE 10 2HE PHE 10 -7.642 -0.901 -5.734
60 HZ PHE 10 HZ PHE 10 -6.541 -0.760 -7.964
61 H LYS 11 H LYS 11 -0.926 -4.099 -3.421
62 HA LYS 11 HA LYS 11 -0.428 -4.148 -0.490
63 HB2 LYS 11 1HB LYS 11 -0.636 -6.223 -2.025
64 HB3 LYS 11 2HB LYS 11 0.949 -5.798 -2.646
65 HG2 LYS 11 1HG LYS 11 0.261 -6.443 0.260
66 HG3 LYS 11 2HG LYS 11 0.935 -7.565 -0.914
67 HD2 LYS 11 1HD LYS 11 2.964 -6.067 -1.097
68 HD3 LYS 11 2HD LYS 11 2.301 -5.128 0.273
69 HE2 LYS 11 1HE LYS 11 2.229 -7.153 1.657
70 HE3 LYS 11 2HE LYS 11 2.857 -8.124 0.322
71 HZ1 LYS 11 3HZ LYS 11 4.321 -5.849 1.544
72 HZ2 LYS 11 1HZ LYS 11 4.920 -6.902 0.434
73 HZ3 LYS 11 2HZ LYS 11 4.550 -7.424 1.958
74 H CYS 12 H CYS 12 0.962 -2.821 0.297
75 HA CYS 12 HA CYS 12 2.535 -0.868 -0.933
76 HB2 CYS 12 1HB CYS 12 1.857 -0.834 1.372
77 HB3 CYS 12 2HB CYS 12 2.759 -2.312 1.716
78 H SER 13 H SER 13 4.593 -0.646 -1.604
79 HA SER 13 HA SER 13 6.006 -3.005 -2.563
80 HB2 SER 13 1HB SER 13 6.815 -0.072 -2.629
81 HB3 SER 13 2HB SER 13 7.546 -1.388 -3.569
82 HG SER 13 HG SER 13 5.999 -0.232 -4.800
83 H LEU 14 H LEU 14 6.062 -1.442 0.424
84 HA LEU 14 HA LEU 14 8.965 -2.034 0.951
85 HB2 LEU 14 1HB LEU 14 7.181 0.083 2.199
86 HB3 LEU 14 2HB LEU 14 8.909 -0.101 2.431
87 HG LEU 14 HG LEU 14 7.597 0.607 -0.236
88 HD11 LEU 14 1HD1 LEU 14 8.999 2.363 1.799
89 HD12 LEU 14 2HD1 LEU 14 7.279 2.376 1.338
90 HD13 LEU 14 3HD1 LEU 14 8.504 2.865 0.160
91 HD21 LEU 14 3HD2 LEU 14 9.882 1.219 -0.938
92 HD22 LEU 14 1HD2 LEU 14 9.778 -0.498 -0.536
93 HD23 LEU 14 2HD2 LEU 14 10.523 0.634 0.618
94 H CYS 15 H CYS 15 5.718 -2.000 2.361
95 HA CYS 15 HA CYS 15 6.644 -3.876 4.496
96 HB2 CYS 15 1HB CYS 15 5.541 -2.731 6.172
97 HB3 CYS 15 2HB CYS 15 6.357 -1.495 5.253
98 H GLU 16 H GLU 16 4.482 -4.585 5.728
99 HA GLU 16 HA GLU 16 3.107 -6.228 3.699
100 HB2 GLU 16 1HB GLU 16 4.340 -7.061 5.887
101 HB3 GLU 16 2HB GLU 16 2.825 -6.641 6.669
102 HG2 GLU 16 1HG GLU 16 2.894 -9.005 6.121
103 HG3 GLU 16 2HG GLU 16 1.623 -8.230 5.189
104 H TYR 17 H TYR 17 2.442 -3.301 4.523
105 HA TYR 17 HA TYR 17 -0.381 -3.379 5.171
106 HB2 TYR 17 1HB TYR 17 1.006 -1.395 5.433
107 HB3 TYR 17 2HB TYR 17 1.381 -1.367 3.728
108 HD1 TYR 17 1HD TYR 17 -0.376 -0.691 2.068
109 HD2 TYR 17 2HD TYR 17 -1.118 -0.533 6.309
110 HE1 TYR 17 1HE TYR 17 -2.349 0.793 1.667
111 HE2 TYR 17 2HE TYR 17 -3.069 0.965 5.905
112 HH TYR 17 HH TYR 17 -4.368 2.023 4.346
113 H ALA 18 H ALA 18 -2.158 -3.555 3.936
114 HA ALA 18 HA ALA 18 -1.994 -3.113 1.096
115 HB1 ALA 18 1HB ALA 18 -2.907 -5.200 0.334
116 HB2 ALA 18 2HB ALA 18 -1.474 -5.567 1.329
117 HB3 ALA 18 3HB ALA 18 -3.091 -5.795 2.012
118 H THR 19 H THR 19 -3.984 -2.737 0.074
119 HA THR 19 HA THR 19 -6.443 -2.566 1.743
120 HB THR 19 HB THR 19 -5.213 -0.467 2.100
121 HG1 THR 19 1HG THR 19 -7.337 -0.192 2.140
122 HG21 THR 19 3HG2 THR 19 -5.411 0.024 -0.883
123 HG22 THR 19 1HG2 THR 19 -3.924 -0.423 -0.017
124 HG23 THR 19 2HG2 THR 19 -4.731 1.069 0.389
125 H ARG 20 H ARG 20 -8.338 -1.931 0.520
126 HA ARG 20 HA ARG 20 -8.505 -3.327 -2.082
127 HB2 ARG 20 1HB ARG 20 -10.618 -2.228 -0.211
128 HB3 ARG 20 2HB ARG 20 -10.973 -3.041 -1.723
129 HG2 ARG 20 1HG ARG 20 -9.531 -4.303 0.652
130 HG3 ARG 20 2HG ARG 20 -11.230 -4.507 0.259
131 HD2 ARG 20 1HD ARG 20 -8.894 -5.483 -1.437
132 HD3 ARG 20 2HD ARG 20 -9.922 -6.461 -0.403
133 HE ARG 20 HE ARG 20 -11.459 -4.983 -2.372
134 HH11 ARG 20 1HH1 ARG 20 -9.648 -8.004 -1.982
135 HH12 ARG 20 2HH1 ARG 20 -10.433 -8.703 -3.366
136 HH21 ARG 20 2HH2 ARG 20 -12.401 -5.996 -4.087
137 HH22 ARG 20 1HH2 ARG 20 -11.948 -7.622 -4.500
138 H SER 21 H SER 21 -8.019 -0.101 -1.200
139 HA SER 21 HA SER 21 -8.955 0.813 -3.903
140 HB2 SER 21 1HB SER 21 -9.203 2.347 -1.294
141 HB3 SER 21 2HB SER 21 -9.606 2.955 -2.907
142 HG SER 21 HG SER 21 -11.457 2.165 -1.797
143 H LYS 22 H LYS 22 -7.465 1.855 -5.094
144 HA LYS 22 HA LYS 22 -4.763 1.991 -4.262
145 HB2 LYS 22 1HB LYS 22 -4.302 3.029 -6.387
146 HB3 LYS 22 2HB LYS 22 -5.468 1.737 -6.578
147 HG2 LYS 22 1HG LYS 22 -7.316 3.405 -6.736
148 HG3 LYS 22 2HG LYS 22 -6.146 4.709 -6.510
149 HD2 LYS 22 1HD LYS 22 -6.675 4.531 -8.848
150 HD3 LYS 22 2HD LYS 22 -4.989 4.055 -8.599
151 HE2 LYS 22 1HE LYS 22 -5.641 1.662 -8.717
152 HE3 LYS 22 2HE LYS 22 -7.339 2.125 -8.901
153 HZ1 LYS 22 3HZ LYS 22 -6.741 3.218 -10.998
154 HZ2 LYS 22 1HZ LYS 22 -6.310 1.647 -11.049
155 HZ3 LYS 22 2HZ LYS 22 -5.173 2.793 -10.826
156 H SER 23 H SER 23 -7.227 4.452 -3.990
157 HA SER 23 HA SER 23 -5.585 6.728 -3.417
158 HB2 SER 23 1HB SER 23 -7.707 7.557 -2.328
159 HB3 SER 23 2HB SER 23 -7.878 7.026 -4.012
160 HG SER 23 HG SER 23 -9.548 6.201 -2.640
161 H ASN 24 H ASN 24 -6.794 4.080 -1.345
162 HA ASN 24 HA ASN 24 -5.898 5.261 1.162
163 HB2 ASN 24 1HB ASN 24 -6.566 2.406 0.352
164 HB3 ASN 24 2HB ASN 24 -6.161 2.887 1.990
165 HD21 ASN 24 1HD2 ASN 24 -8.485 1.578 1.350
166 HD22 ASN 24 2HD2 ASN 24 -9.840 2.670 1.658
167 H LEU 25 H LEU 25 -4.489 2.753 -1.051
168 HA LEU 25 HA LEU 25 -2.099 2.508 0.428
169 HB2 LEU 25 1HB LEU 25 -2.712 0.865 -1.305
170 HB3 LEU 25 2HB LEU 25 -2.490 2.075 -2.565
171 HG LEU 25 HG LEU 25 -0.141 2.252 -2.056
172 HD11 LEU 25 1HD1 LEU 25 -0.551 0.141 0.078
173 HD12 LEU 25 2HD1 LEU 25 -0.089 1.839 0.371
174 HD13 LEU 25 3HD1 LEU 25 1.023 0.764 -0.458
175 HD21 LEU 25 3HD2 LEU 25 -0.769 0.485 -3.628
176 HD22 LEU 25 1HD2 LEU 25 -0.807 -0.675 -2.266
177 HD23 LEU 25 2HD2 LEU 25 0.713 0.100 -2.730
178 H LYS 26 H LYS 26 -2.772 4.673 -2.334
179 HA LYS 26 HA LYS 26 -0.312 6.003 -2.533
180 HB2 LYS 26 1HB LYS 26 -2.090 6.218 -4.130
181 HB3 LYS 26 2HB LYS 26 -3.205 6.877 -2.938
182 HG2 LYS 26 1HG LYS 26 -0.660 8.389 -3.436
183 HG3 LYS 26 2HG LYS 26 -1.867 8.392 -4.721
184 HD2 LYS 26 1HD LYS 26 -3.513 9.459 -3.436
185 HD3 LYS 26 2HD LYS 26 -2.742 9.061 -1.888
186 HE2 LYS 26 1HE LYS 26 -0.851 10.467 -2.379
187 HE3 LYS 26 2HE LYS 26 -1.484 10.841 -3.992
188 HZ1 LYS 26 3HZ LYS 26 -3.379 11.951 -2.919
189 HZ2 LYS 26 1HZ LYS 26 -1.989 12.633 -2.413
190 HZ3 LYS 26 2HZ LYS 26 -2.798 11.613 -1.429
191 H ALA 27 H ALA 27 -2.854 6.491 -0.105
192 HA ALA 27 HA ALA 27 -1.583 8.842 1.076
193 HB1 ALA 27 1HB ALA 27 -3.325 8.577 2.793
194 HB2 ALA 27 2HB ALA 27 -4.030 8.444 1.167
195 HB3 ALA 27 3HB ALA 27 -3.755 6.984 2.143
196 H HIS 28 H HIS 28 -1.625 5.330 1.752
197 HA HIS 28 HA HIS 28 -0.035 5.376 4.142
198 HB2 HIS 28 1HB HIS 28 -1.372 3.497 3.685
199 HB3 HIS 28 2HB HIS 28 -0.693 3.273 2.082
200 HD1 HIS 28 1HD HIS 28 0.178 2.634 5.744
201 HD2 HIS 28 2HD HIS 28 1.699 2.113 1.857
202 HE1 HIS 28 1HE HIS 28 2.194 1.123 5.996
203 H MET 29 H MET 29 0.914 5.035 0.667
204 HA MET 29 HA MET 29 3.704 4.706 1.151
205 HB2 MET 29 1HB MET 29 2.299 5.891 -1.279
206 HB3 MET 29 2HB MET 29 3.979 5.351 -1.223
207 HG2 MET 29 1HG MET 29 1.491 3.648 -0.955
208 HG3 MET 29 2HG MET 29 2.643 3.618 -2.250
209 HE1 MET 29 3HE MET 29 5.472 3.540 -0.687
210 HE2 MET 29 1HE MET 29 5.676 1.768 -0.641
211 HE3 MET 29 2HE MET 29 5.019 2.548 -2.100
212 H ASN 30 H ASN 30 1.779 7.636 1.128
213 HA ASN 30 HA ASN 30 4.038 9.463 1.076
214 HB2 ASN 30 1HB ASN 30 1.093 9.726 1.664
215 HB3 ASN 30 2HB ASN 30 2.197 11.001 2.170
216 HD21 ASN 30 1HD2 ASN 30 1.031 9.240 -0.741
217 HD22 ASN 30 2HD2 ASN 30 1.579 10.504 -1.834
218 H ARG 31 H ARG 31 2.767 7.419 3.615
219 HA ARG 31 HA ARG 31 4.056 8.880 5.819
220 HB2 ARG 31 1HB ARG 31 3.167 5.978 5.746
221 HB3 ARG 31 2HB ARG 31 3.587 6.938 7.159
222 HG2 ARG 31 1HG ARG 31 1.671 8.473 6.714
223 HG3 ARG 31 2HG ARG 31 1.219 7.491 5.315
224 HD2 ARG 31 1HD ARG 31 -0.194 6.827 7.124
225 HD3 ARG 31 2HD ARG 31 0.935 5.518 6.785
226 HE ARG 31 HE ARG 31 1.907 5.781 8.878
227 HH11 ARG 31 2HH1 ARG 31 -0.198 8.546 8.398
228 HH12 ARG 31 1HH1 ARG 31 -0.044 9.058 10.056
229 HH21 ARG 31 2HH2 ARG 31 2.064 6.501 10.967
230 HH22 ARG 31 1HH2 ARG 31 1.204 7.928 11.463
231 H HIS 32 H HIS 32 4.964 6.280 3.592
232 HA HIS 32 HA HIS 32 7.570 5.809 4.822
233 HB2 HIS 32 1HB HIS 32 6.407 5.064 2.108
234 HB3 HIS 32 2HB HIS 32 8.009 4.607 2.655
235 HD1 HIS 32 1HD HIS 32 7.923 3.110 5.130
236 HD2 HIS 32 2HD HIS 32 4.725 3.142 2.411
237 HE1 HIS 32 1HE HIS 32 6.663 0.946 5.528
238 H SER 33 H SER 33 6.309 8.141 2.563
239 HA SER 33 HA SER 33 8.767 8.738 1.183
240 HB2 SER 33 1HB SER 33 6.121 10.217 1.251
241 HB3 SER 33 2HB SER 33 7.452 10.570 0.147
242 HG SER 33 HG SER 33 6.051 8.088 0.327
243 H THR 34 H THR 34 9.042 9.077 4.097
244 HA THR 34 HA THR 34 9.484 11.958 4.542
245 HB THR 34 HB THR 34 10.460 11.152 6.713
246 HG1 THR 34 1HG THR 34 10.118 8.987 7.230
247 HG21 THR 34 3HG2 THR 34 8.078 11.797 6.547
248 HG22 THR 34 1HG2 THR 34 8.320 10.479 7.705
249 HG23 THR 34 2HG2 THR 34 7.652 10.133 6.095
250 H GLU 35 H GLU 35 11.301 9.326 3.248
251 HA GLU 35 HA GLU 35 13.915 10.604 3.704
252 HB2 GLU 35 1HB GLU 35 14.855 8.665 2.654
253 HB3 GLU 35 2HB GLU 35 13.702 8.198 3.904
254 HG2 GLU 35 1HG GLU 35 12.005 7.682 2.175
255 HG3 GLU 35 2HG GLU 35 13.117 8.205 0.908
256 H LYS 36 H LYS 36 15.422 10.993 1.954
257 HA LYS 36 HA LYS 36 14.249 11.942 -0.620
258 HB2 LYS 36 1HB LYS 36 16.069 13.548 1.225
259 HB3 LYS 36 2HB LYS 36 15.663 13.981 -0.439
260 HG2 LYS 36 1HG LYS 36 13.250 14.105 0.180
261 HG3 LYS 36 2HG LYS 36 13.677 13.746 1.867
262 HD2 LYS 36 1HD LYS 36 15.095 15.781 1.946
263 HD3 LYS 36 2HD LYS 36 14.647 16.153 0.265
264 HE2 LYS 36 1HE LYS 36 12.256 16.268 0.931
265 HE3 LYS 36 2HE LYS 36 12.699 15.895 2.602
266 HZ1 LYS 36 3HZ LYS 36 12.429 18.285 2.271
267 HZ2 LYS 36 1HZ LYS 36 13.573 18.313 1.109
268 HZ3 LYS 36 2HZ LYS 36 13.983 17.968 2.654
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 -14.240 -24.843 -1.340
2 H2 GLY 1 2H GLY 1 -13.414 -25.171 0.036
3 H3 GLY 1 3H GLY 1 -13.671 -23.616 -0.416
4 HA2 GLY 1 1HA GLY 1 -15.770 -25.526 0.381
5 HA3 GLY 1 2HA GLY 1 -15.142 -24.218 1.399
6 H SER 2 H SER 2 -17.892 -24.646 0.501
7 HA SER 2 HA SER 2 -18.636 -23.115 -1.729
8 HB2 SER 2 1HB SER 2 -20.288 -23.677 0.760
9 HB3 SER 2 2HB SER 2 -20.901 -23.284 -0.858
10 HG SER 2 HG SER 2 -20.911 -25.548 -0.458
11 H SER 3 H SER 3 -17.710 -21.869 1.379
12 HA SER 3 HA SER 3 -19.046 -19.291 1.171
13 HB2 SER 3 1HB SER 3 -17.540 -18.728 3.087
14 HB3 SER 3 2HB SER 3 -18.547 -20.163 3.341
15 HG SER 3 HG SER 3 -16.349 -20.496 3.970
16 H GLY 4 H GLY 4 -16.326 -20.589 -0.459
17 HA2 GLY 4 1HA GLY 4 -14.942 -19.611 -2.034
18 HA3 GLY 4 2HA GLY 4 -15.744 -18.070 -1.760
19 H SER 5 H SER 5 -13.694 -17.062 -1.971
20 HA SER 5 HA SER 5 -12.082 -16.924 0.507
21 HB2 SER 5 1HB SER 5 -9.975 -17.111 -0.731
22 HB3 SER 5 2HB SER 5 -10.931 -18.592 -0.858
23 HG SER 5 HG SER 5 -10.065 -17.953 -2.886
24 H SER 6 H SER 6 -10.506 -15.097 0.438
25 HA SER 6 HA SER 6 -11.274 -12.804 -1.279
26 HB2 SER 6 1HB SER 6 -11.544 -11.344 0.673
27 HB3 SER 6 2HB SER 6 -12.737 -12.650 0.666
28 HG SER 6 HG SER 6 -11.800 -12.362 2.740
29 H GLY 7 H GLY 7 -9.837 -10.920 -0.987
30 HA2 GLY 7 1HA GLY 7 -7.278 -11.049 0.273
31 HA3 GLY 7 2HA GLY 7 -7.121 -11.523 -1.424
32 H LYS 8 H LYS 8 -5.700 -9.431 -0.966
33 HA LYS 8 HA LYS 8 -7.322 -6.999 -1.521
34 HB2 LYS 8 1HB LYS 8 -4.792 -7.334 0.088
35 HB3 LYS 8 2HB LYS 8 -5.396 -5.758 -0.450
36 HG2 LYS 8 1HG LYS 8 -7.512 -6.082 0.726
37 HG3 LYS 8 2HG LYS 8 -7.034 -7.717 1.228
38 HD2 LYS 8 1HD LYS 8 -5.155 -6.819 2.522
39 HD3 LYS 8 2HD LYS 8 -5.518 -5.189 1.917
40 HE2 LYS 8 1HE LYS 8 -7.744 -5.288 3.027
41 HE3 LYS 8 2HE LYS 8 -7.313 -6.869 3.700
42 HZ1 LYS 8 3HZ LYS 8 -5.501 -5.819 4.906
43 HZ2 LYS 8 1HZ LYS 8 -6.860 -4.984 5.244
44 HZ3 LYS 8 2HZ LYS 8 -5.757 -4.369 4.195
45 HA PRO 9 HA PRO 9 -5.115 -6.533 -5.317
46 HB2 PRO 9 1HB PRO 9 -5.951 -4.059 -6.093
47 HB3 PRO 9 2HB PRO 9 -7.032 -5.488 -6.031
48 HG2 PRO 9 1HG PRO 9 -6.637 -3.389 -3.857
49 HG3 PRO 9 2HG PRO 9 -8.187 -3.927 -4.599
50 HD2 PRO 9 1HD PRO 9 -7.223 -4.956 -2.274
51 HD3 PRO 9 2HD PRO 9 -8.033 -6.013 -3.488
52 H PHE 10 H PHE 10 -4.814 -3.744 -3.007
53 HA PHE 10 HA PHE 10 -2.218 -2.989 -4.282
54 HB2 PHE 10 1HB PHE 10 -4.074 -1.252 -2.663
55 HB3 PHE 10 2HB PHE 10 -2.681 -0.764 -3.588
56 HD1 PHE 10 1HD PHE 10 -2.633 -1.325 -6.133
57 HD2 PHE 10 2HD PHE 10 -6.211 -1.114 -3.745
58 HE1 PHE 10 1HE PHE 10 -3.979 -1.091 -8.187
59 HE2 PHE 10 2HE PHE 10 -7.579 -0.926 -5.814
60 HZ PHE 10 HZ PHE 10 -6.465 -0.892 -8.042
61 H LYS 11 H LYS 11 -0.962 -4.288 -3.330
62 HA LYS 11 HA LYS 11 -0.450 -4.187 -0.406
63 HB2 LYS 11 1HB LYS 11 -0.655 -6.341 -1.728
64 HB3 LYS 11 2HB LYS 11 0.820 -5.910 -2.573
65 HG2 LYS 11 1HG LYS 11 0.531 -6.470 0.418
66 HG3 LYS 11 2HG LYS 11 1.167 -7.565 -0.812
67 HD2 LYS 11 1HD LYS 11 2.924 -5.709 -1.284
68 HD3 LYS 11 2HD LYS 11 2.408 -5.046 0.290
69 HE2 LYS 11 1HE LYS 11 2.968 -7.190 1.376
70 HE3 LYS 11 2HE LYS 11 3.484 -7.852 -0.186
71 HZ1 LYS 11 3HZ LYS 11 5.383 -6.969 1.064
72 HZ2 LYS 11 1HZ LYS 11 4.674 -5.486 1.155
73 HZ3 LYS 11 2HZ LYS 11 5.159 -6.065 -0.289
74 H CYS 12 H CYS 12 0.927 -2.827 0.334
75 HA CYS 12 HA CYS 12 2.401 -0.842 -0.947
76 HB2 CYS 12 1HB CYS 12 1.732 -0.865 1.389
77 HB3 CYS 12 2HB CYS 12 2.784 -2.247 1.715
78 H SER 13 H SER 13 4.323 -0.641 -1.902
79 HA SER 13 HA SER 13 5.882 -2.952 -2.650
80 HB2 SER 13 1HB SER 13 6.544 0.002 -2.956
81 HB3 SER 13 2HB SER 13 7.299 -1.347 -3.827
82 HG SER 13 HG SER 13 5.657 -0.345 -5.073
83 H LEU 14 H LEU 14 5.880 -1.306 0.242
84 HA LEU 14 HA LEU 14 8.829 -1.578 0.748
85 HB2 LEU 14 1HB LEU 14 6.826 0.345 1.982
86 HB3 LEU 14 2HB LEU 14 8.562 0.375 2.181
87 HG LEU 14 HG LEU 14 7.159 0.826 -0.501
88 HD11 LEU 14 1HD1 LEU 14 7.666 3.197 -0.214
89 HD12 LEU 14 2HD1 LEU 14 8.242 2.868 1.443
90 HD13 LEU 14 3HD1 LEU 14 6.536 2.587 0.992
91 HD21 LEU 14 3HD2 LEU 14 9.328 1.741 -1.212
92 HD22 LEU 14 1HD2 LEU 14 9.481 0.047 -0.728
93 HD23 LEU 14 2HD2 LEU 14 10.029 1.332 0.372
94 H CYS 15 H CYS 15 5.612 -1.914 2.166
95 HA CYS 15 HA CYS 15 6.706 -3.735 4.267
96 HB2 CYS 15 1HB CYS 15 5.664 -2.617 6.007
97 HB3 CYS 15 2HB CYS 15 6.378 -1.348 5.039
98 H GLU 16 H GLU 16 4.561 -4.431 5.635
99 HA GLU 16 HA GLU 16 3.149 -6.192 3.730
100 HB2 GLU 16 1HB GLU 16 4.431 -6.909 5.891
101 HB3 GLU 16 2HB GLU 16 2.983 -6.378 6.747
102 HG2 GLU 16 1HG GLU 16 1.640 -8.042 5.465
103 HG3 GLU 16 2HG GLU 16 3.058 -8.455 4.504
104 H TYR 17 H TYR 17 2.479 -3.206 4.509
105 HA TYR 17 HA TYR 17 -0.337 -3.319 5.198
106 HB2 TYR 17 1HB TYR 17 1.017 -1.318 5.413
107 HB3 TYR 17 2HB TYR 17 1.348 -1.292 3.700
108 HD1 TYR 17 1HD TYR 17 -0.428 -0.658 2.068
109 HD2 TYR 17 2HD TYR 17 -1.127 -0.481 6.314
110 HE1 TYR 17 1HE TYR 17 -2.395 0.849 1.681
111 HE2 TYR 17 2HE TYR 17 -3.091 1.005 5.923
112 HH TYR 17 HH TYR 17 -4.402 2.061 4.376
113 H ALA 18 H ALA 18 -2.137 -3.475 3.971
114 HA ALA 18 HA ALA 18 -1.985 -3.094 1.120
115 HB1 ALA 18 1HB ALA 18 -2.958 -5.784 2.166
116 HB2 ALA 18 2HB ALA 18 -3.006 -5.234 0.464
117 HB3 ALA 18 3HB ALA 18 -1.447 -5.508 1.290
118 H THR 19 H THR 19 -3.954 -2.692 0.117
119 HA THR 19 HA THR 19 -6.417 -2.471 1.784
120 HB THR 19 HB THR 19 -5.304 -0.323 2.022
121 HG1 THR 19 1HG THR 19 -7.349 0.155 1.879
122 HG21 THR 19 3HG2 THR 19 -4.841 1.116 0.150
123 HG22 THR 19 1HG2 THR 19 -5.264 -0.154 -1.009
124 HG23 THR 19 2HG2 THR 19 -3.848 -0.332 0.054
125 H ARG 20 H ARG 20 -8.329 -2.023 0.561
126 HA ARG 20 HA ARG 20 -8.509 -3.364 -2.069
127 HB2 ARG 20 1HB ARG 20 -10.574 -2.207 -0.175
128 HB3 ARG 20 2HB ARG 20 -10.976 -2.896 -1.735
129 HG2 ARG 20 1HG ARG 20 -9.646 -4.410 0.556
130 HG3 ARG 20 2HG ARG 20 -11.355 -4.461 0.148
131 HD2 ARG 20 1HD ARG 20 -9.074 -5.509 -1.577
132 HD3 ARG 20 2HD ARG 20 -10.224 -6.462 -0.652
133 HE ARG 20 HE ARG 20 -11.598 -4.726 -2.502
134 HH11 ARG 20 2HH1 ARG 20 -9.925 -7.843 -2.433
135 HH12 ARG 20 1HH1 ARG 20 -10.676 -8.333 -3.924
136 HH21 ARG 20 2HH2 ARG 20 -12.515 -5.476 -4.362
137 HH22 ARG 20 1HH2 ARG 20 -12.112 -7.057 -4.958
138 H SER 21 H SER 21 -7.932 -0.162 -1.061
139 HA SER 21 HA SER 21 -8.894 0.894 -3.708
140 HB2 SER 21 1HB SER 21 -9.013 2.207 -0.979
141 HB3 SER 21 2HB SER 21 -9.397 3.008 -2.518
142 HG SER 21 HG SER 21 -11.269 2.169 -1.455
143 H LYS 22 H LYS 22 -7.355 1.726 -4.952
144 HA LYS 22 HA LYS 22 -4.646 1.934 -4.168
145 HB2 LYS 22 1HB LYS 22 -4.221 2.829 -6.351
146 HB3 LYS 22 2HB LYS 22 -5.418 1.552 -6.465
147 HG2 LYS 22 1HG LYS 22 -7.222 3.368 -6.519
148 HG3 LYS 22 2HG LYS 22 -5.916 4.549 -6.676
149 HD2 LYS 22 1HD LYS 22 -6.525 2.255 -8.593
150 HD3 LYS 22 2HD LYS 22 -6.903 3.965 -8.849
151 HE2 LYS 22 1HE LYS 22 -4.456 4.495 -8.757
152 HE3 LYS 22 2HE LYS 22 -4.107 2.768 -8.585
153 HZ1 LYS 22 3HZ LYS 22 -5.151 2.409 -10.761
154 HZ2 LYS 22 1HZ LYS 22 -3.926 3.476 -10.898
155 HZ3 LYS 22 2HZ LYS 22 -5.469 4.005 -10.921
156 H SER 23 H SER 23 -7.131 4.397 -4.006
157 HA SER 23 HA SER 23 -5.452 6.689 -3.566
158 HB2 SER 23 1HB SER 23 -7.569 7.625 -2.565
159 HB3 SER 23 2HB SER 23 -7.731 6.993 -4.213
160 HG SER 23 HG SER 23 -9.434 6.288 -2.816
161 H ASN 24 H ASN 24 -6.703 4.164 -1.366
162 HA ASN 24 HA ASN 24 -5.691 5.488 1.041
163 HB2 ASN 24 1HB ASN 24 -6.792 2.708 0.467
164 HB3 ASN 24 2HB ASN 24 -6.132 3.164 2.031
165 HD21 ASN 24 1HD2 ASN 24 -7.170 4.943 3.234
166 HD22 ASN 24 2HD2 ASN 24 -8.864 5.281 2.909
167 H LEU 25 H LEU 25 -4.451 2.851 -1.126
168 HA LEU 25 HA LEU 25 -2.069 2.539 0.386
169 HB2 LEU 25 1HB LEU 25 -2.633 0.868 -1.272
170 HB3 LEU 25 2HB LEU 25 -2.491 2.031 -2.588
171 HG LEU 25 HG LEU 25 -0.122 2.235 -2.165
172 HD11 LEU 25 1HD1 LEU 25 -0.058 1.903 0.306
173 HD12 LEU 25 2HD1 LEU 25 1.093 0.871 -0.519
174 HD13 LEU 25 3HD1 LEU 25 -0.443 0.184 0.052
175 HD21 LEU 25 3HD2 LEU 25 -0.789 0.432 -3.648
176 HD22 LEU 25 1HD2 LEU 25 -0.844 -0.689 -2.253
177 HD23 LEU 25 2HD2 LEU 25 0.694 0.033 -2.760
178 H LYS 26 H LYS 26 -2.667 4.627 -2.424
179 HA LYS 26 HA LYS 26 -0.219 5.974 -2.685
180 HB2 LYS 26 1HB LYS 26 -2.218 6.318 -4.102
181 HB3 LYS 26 2HB LYS 26 -3.068 7.056 -2.751
182 HG2 LYS 26 1HG LYS 26 -1.194 8.890 -2.814
183 HG3 LYS 26 2HG LYS 26 -0.760 8.168 -4.367
184 HD2 LYS 26 1HD LYS 26 -2.275 9.889 -4.949
185 HD3 LYS 26 2HD LYS 26 -3.246 8.415 -4.987
186 HE2 LYS 26 1HE LYS 26 -4.607 10.011 -3.922
187 HE3 LYS 26 2HE LYS 26 -4.029 8.966 -2.624
188 HZ1 LYS 26 3HZ LYS 26 -3.867 11.324 -2.038
189 HZ2 LYS 26 1HZ LYS 26 -2.914 11.640 -3.320
190 HZ3 LYS 26 2HZ LYS 26 -2.361 10.700 -2.102
191 H ALA 27 H ALA 27 -2.773 6.619 -0.336
192 HA ALA 27 HA ALA 27 -1.468 8.864 0.968
193 HB1 ALA 27 1HB ALA 27 -3.714 7.051 1.958
194 HB2 ALA 27 2HB ALA 27 -3.265 8.637 2.617
195 HB3 ALA 27 3HB ALA 27 -3.923 8.518 0.971
196 H HIS 28 H HIS 28 -1.591 5.350 1.656
197 HA HIS 28 HA HIS 28 -0.071 5.422 4.103
198 HB2 HIS 28 1HB HIS 28 -1.459 3.568 3.676
199 HB3 HIS 28 2HB HIS 28 -0.757 3.286 2.087
200 HD1 HIS 28 1HD HIS 28 0.081 2.755 5.789
201 HD2 HIS 28 2HD HIS 28 1.594 2.039 1.934
202 HE1 HIS 28 1HE HIS 28 2.104 1.257 6.105
203 H MET 29 H MET 29 0.882 5.070 0.661
204 HA MET 29 HA MET 29 3.644 4.531 1.079
205 HB2 MET 29 1HB MET 29 2.340 5.995 -1.240
206 HB3 MET 29 2HB MET 29 3.941 5.269 -1.246
207 HG2 MET 29 1HG MET 29 1.908 3.277 -0.461
208 HG3 MET 29 2HG MET 29 1.474 4.104 -1.909
209 HE1 MET 29 3HE MET 29 5.126 3.173 -0.799
210 HE2 MET 29 1HE MET 29 4.014 1.916 -0.215
211 HE3 MET 29 2HE MET 29 5.206 1.528 -1.482
212 H ASN 30 H ASN 30 1.883 7.618 0.995
213 HA ASN 30 HA ASN 30 4.224 9.309 1.169
214 HB2 ASN 30 1HB ASN 30 1.249 9.715 1.602
215 HB3 ASN 30 2HB ASN 30 2.407 10.958 2.064
216 HD21 ASN 30 1HD2 ASN 30 1.210 9.107 -0.784
217 HD22 ASN 30 2HD2 ASN 30 1.805 10.309 -1.920
218 H ARG 31 H ARG 31 2.722 7.309 3.597
219 HA ARG 31 HA ARG 31 3.820 8.793 5.891
220 HB2 ARG 31 1HB ARG 31 2.937 5.885 5.800
221 HB3 ARG 31 2HB ARG 31 3.179 6.889 7.223
222 HG2 ARG 31 1HG ARG 31 1.296 8.358 6.553
223 HG3 ARG 31 2HG ARG 31 1.031 7.353 5.117
224 HD2 ARG 31 1HD ARG 31 0.656 5.378 6.597
225 HD3 ARG 31 2HD ARG 31 0.789 6.453 8.006
226 HE ARG 31 HE ARG 31 -1.153 7.526 6.213
227 HH11 ARG 31 2HH1 ARG 31 -0.868 4.822 8.424
228 HH12 ARG 31 1HH1 ARG 31 -2.592 4.702 8.642
229 HH21 ARG 31 2HH2 ARG 31 -3.341 7.333 6.558
230 HH22 ARG 31 1HH2 ARG 31 -3.948 6.094 7.617
231 H HIS 32 H HIS 32 4.991 6.318 3.682
232 HA HIS 32 HA HIS 32 7.396 5.739 5.241
233 HB2 HIS 32 1HB HIS 32 6.633 5.152 2.353
234 HB3 HIS 32 2HB HIS 32 8.145 4.669 3.098
235 HD1 HIS 32 1HD HIS 32 7.858 2.963 5.314
236 HD2 HIS 32 2HD HIS 32 4.730 3.339 2.529
237 HE1 HIS 32 1HE HIS 32 6.466 0.863 5.559
238 H SER 33 H SER 33 6.464 8.173 2.868
239 HA SER 33 HA SER 33 9.049 8.983 2.023
240 HB2 SER 33 1HB SER 33 6.468 10.587 2.068
241 HB3 SER 33 2HB SER 33 7.907 10.949 1.107
242 HG SER 33 HG SER 33 6.482 9.826 -0.186
243 H THR 34 H THR 34 8.015 9.312 5.165
244 HA THR 34 HA THR 34 8.865 12.024 5.762
245 HB THR 34 HB THR 34 8.731 11.270 8.123
246 HG1 THR 34 1HG THR 34 7.949 9.156 8.479
247 HG21 THR 34 3HG2 THR 34 6.320 10.398 6.467
248 HG22 THR 34 1HG2 THR 34 6.690 12.067 6.954
249 HG23 THR 34 2HG2 THR 34 6.328 10.845 8.186
250 H GLU 35 H GLU 35 10.658 9.191 5.099
251 HA GLU 35 HA GLU 35 13.150 10.463 6.136
252 HB2 GLU 35 1HB GLU 35 12.423 8.628 7.645
253 HB3 GLU 35 2HB GLU 35 12.476 7.498 6.287
254 HG2 GLU 35 1HG GLU 35 14.900 7.870 6.041
255 HG3 GLU 35 2HG GLU 35 14.860 9.115 7.294
256 H LYS 36 H LYS 36 14.897 10.377 4.802
257 HA LYS 36 HA LYS 36 14.630 9.133 2.094
258 HB2 LYS 36 1HB LYS 36 15.707 11.884 2.820
259 HB3 LYS 36 2HB LYS 36 15.752 11.151 1.212
260 HG2 LYS 36 1HG LYS 36 13.262 11.037 1.194
261 HG3 LYS 36 2HG LYS 36 13.208 11.848 2.763
262 HD2 LYS 36 1HD LYS 36 14.404 13.021 0.224
263 HD3 LYS 36 2HD LYS 36 12.787 13.368 0.861
264 HE2 LYS 36 1HE LYS 36 13.804 14.263 2.952
265 HE3 LYS 36 2HE LYS 36 15.416 13.961 2.291
266 HZ1 LYS 36 3HZ LYS 36 14.903 15.526 0.495
267 HZ2 LYS 36 1HZ LYS 36 14.739 16.262 1.941
268 HZ3 LYS 36 2HZ LYS 36 13.413 15.808 1.107
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 -13.469 -15.197 0.476
2 H2 GLY 1 2H GLY 1 -13.827 -14.739 2.011
3 H3 GLY 1 3H GLY 1 -12.766 -13.869 1.121
4 HA2 GLY 1 1HA GLY 1 -14.458 -13.166 -0.412
5 HA3 GLY 1 2HA GLY 1 -15.626 -14.181 0.455
6 H SER 2 H SER 2 -16.981 -12.931 1.639
7 HA SER 2 HA SER 2 -16.391 -10.328 2.669
8 HB2 SER 2 1HB SER 2 -18.503 -12.308 3.604
9 HB3 SER 2 2HB SER 2 -18.498 -10.555 3.876
10 HG SER 2 HG SER 2 -19.816 -11.154 2.086
11 H SER 3 H SER 3 -15.712 -13.478 3.936
12 HA SER 3 HA SER 3 -14.240 -12.295 6.212
13 HB2 SER 3 1HB SER 3 -16.445 -13.246 7.023
14 HB3 SER 3 2HB SER 3 -15.883 -14.839 6.483
15 HG SER 3 HG SER 3 -15.435 -14.393 8.721
16 H GLY 4 H GLY 4 -12.752 -14.114 7.114
17 HA2 GLY 4 1HA GLY 4 -11.147 -15.800 6.755
18 HA3 GLY 4 2HA GLY 4 -11.638 -15.947 5.075
19 H SER 5 H SER 5 -9.164 -16.104 5.142
20 HA SER 5 HA SER 5 -7.655 -13.643 5.508
21 HB2 SER 5 1HB SER 5 -5.700 -15.158 5.221
22 HB3 SER 5 2HB SER 5 -6.828 -15.647 6.489
23 HG SER 5 HG SER 5 -6.184 -17.412 5.148
24 H SER 6 H SER 6 -9.437 -13.758 3.103
25 HA SER 6 HA SER 6 -8.058 -14.167 0.702
26 HB2 SER 6 1HB SER 6 -10.214 -12.097 1.268
27 HB3 SER 6 2HB SER 6 -9.763 -12.732 -0.325
28 HG SER 6 HG SER 6 -10.368 -14.830 0.437
29 H GLY 7 H GLY 7 -6.820 -13.001 -0.663
30 HA2 GLY 7 1HA GLY 7 -5.107 -10.944 0.383
31 HA3 GLY 7 2HA GLY 7 -5.106 -11.577 -1.258
32 H LYS 8 H LYS 8 -4.612 -8.918 -0.630
33 HA LYS 8 HA LYS 8 -7.051 -7.378 -1.428
34 HB2 LYS 8 1HB LYS 8 -4.664 -6.691 0.300
35 HB3 LYS 8 2HB LYS 8 -5.625 -5.427 -0.447
36 HG2 LYS 8 1HG LYS 8 -6.373 -5.684 1.789
37 HG3 LYS 8 2HG LYS 8 -7.656 -6.258 0.720
38 HD2 LYS 8 1HD LYS 8 -7.099 -8.573 1.212
39 HD3 LYS 8 2HD LYS 8 -5.649 -8.086 2.122
40 HE2 LYS 8 1HE LYS 8 -7.124 -6.967 3.785
41 HE3 LYS 8 2HE LYS 8 -8.543 -7.458 2.842
42 HZ1 LYS 8 3HZ LYS 8 -7.762 -9.807 3.165
43 HZ2 LYS 8 1HZ LYS 8 -8.205 -9.074 4.570
44 HZ3 LYS 8 2HZ LYS 8 -6.625 -9.271 4.203
45 HA PRO 9 HA PRO 9 -5.204 -6.374 -5.254
46 HB2 PRO 9 1HB PRO 9 -6.294 -3.950 -5.898
47 HB3 PRO 9 2HB PRO 9 -7.223 -5.480 -5.842
48 HG2 PRO 9 1HG PRO 9 -6.917 -3.431 -3.620
49 HG3 PRO 9 2HG PRO 9 -8.448 -4.082 -4.308
50 HD2 PRO 9 1HD PRO 9 -7.375 -5.111 -2.057
51 HD3 PRO 9 2HD PRO 9 -8.016 -6.222 -3.309
52 H PHE 10 H PHE 10 -4.854 -3.675 -2.854
53 HA PHE 10 HA PHE 10 -2.325 -2.838 -4.235
54 HB2 PHE 10 1HB PHE 10 -4.137 -1.143 -2.525
55 HB3 PHE 10 2HB PHE 10 -2.750 -0.631 -3.452
56 HD1 PHE 10 1HD PHE 10 -2.733 -0.861 -5.983
57 HD2 PHE 10 2HD PHE 10 -6.299 -1.249 -3.606
58 HE1 PHE 10 1HE PHE 10 -4.115 -0.560 -8.016
59 HE2 PHE 10 2HE PHE 10 -7.696 -0.981 -5.651
60 HZ PHE 10 HZ PHE 10 -6.599 -0.605 -7.857
61 H LYS 11 H LYS 11 -1.054 -4.174 -3.362
62 HA LYS 11 HA LYS 11 -0.497 -4.209 -0.443
63 HB2 LYS 11 1HB LYS 11 -0.759 -6.302 -1.861
64 HB3 LYS 11 2HB LYS 11 0.725 -5.862 -2.691
65 HG2 LYS 11 1HG LYS 11 0.424 -6.553 0.271
66 HG3 LYS 11 2HG LYS 11 1.054 -7.594 -1.006
67 HD2 LYS 11 1HD LYS 11 2.841 -5.755 -1.380
68 HD3 LYS 11 2HD LYS 11 2.317 -5.136 0.208
69 HE2 LYS 11 1HE LYS 11 2.830 -7.320 1.232
70 HE3 LYS 11 2HE LYS 11 3.360 -7.937 -0.343
71 HZ1 LYS 11 3HZ LYS 11 4.567 -5.636 1.097
72 HZ2 LYS 11 1HZ LYS 11 5.055 -6.164 -0.366
73 HZ3 LYS 11 2HZ LYS 11 5.255 -7.123 0.951
74 H CYS 12 H CYS 12 0.906 -2.900 0.329
75 HA CYS 12 HA CYS 12 2.423 -0.907 -0.880
76 HB2 CYS 12 1HB CYS 12 1.757 -1.022 1.458
77 HB3 CYS 12 2HB CYS 12 2.810 -2.416 1.727
78 H SER 13 H SER 13 4.356 -0.692 -1.799
79 HA SER 13 HA SER 13 5.889 -3.004 -2.635
80 HB2 SER 13 1HB SER 13 6.540 -0.040 -2.864
81 HB3 SER 13 2HB SER 13 7.323 -1.359 -3.755
82 HG SER 13 HG SER 13 5.684 -0.346 -4.996
83 H LEU 14 H LEU 14 5.892 -1.430 0.300
84 HA LEU 14 HA LEU 14 8.839 -1.736 0.798
85 HB2 LEU 14 1HB LEU 14 6.853 0.177 2.069
86 HB3 LEU 14 2HB LEU 14 8.588 0.188 2.278
87 HG LEU 14 HG LEU 14 7.209 0.700 -0.403
88 HD11 LEU 14 1HD1 LEU 14 7.649 3.056 -0.083
89 HD12 LEU 14 2HD1 LEU 14 8.305 2.730 1.548
90 HD13 LEU 14 3HD1 LEU 14 6.589 2.425 1.172
91 HD21 LEU 14 3HD2 LEU 14 10.069 1.182 0.508
92 HD22 LEU 14 1HD2 LEU 14 9.383 1.629 -1.074
93 HD23 LEU 14 2HD2 LEU 14 9.526 -0.076 -0.625
94 H CYS 15 H CYS 15 5.621 -2.080 2.201
95 HA CYS 15 HA CYS 15 6.702 -3.935 4.277
96 HB2 CYS 15 1HB CYS 15 5.644 -2.856 6.032
97 HB3 CYS 15 2HB CYS 15 6.374 -1.571 5.102
98 H GLU 16 H GLU 16 4.552 -4.671 5.610
99 HA GLU 16 HA GLU 16 3.167 -6.406 3.663
100 HB2 GLU 16 1HB GLU 16 4.419 -7.147 5.829
101 HB3 GLU 16 2HB GLU 16 2.968 -6.614 6.679
102 HG2 GLU 16 1HG GLU 16 1.624 -8.263 5.388
103 HG3 GLU 16 2HG GLU 16 3.040 -8.675 4.422
104 H TYR 17 H TYR 17 2.480 -3.424 4.526
105 HA TYR 17 HA TYR 17 -0.334 -3.548 5.196
106 HB2 TYR 17 1HB TYR 17 1.063 -1.570 5.460
107 HB3 TYR 17 2HB TYR 17 1.356 -1.490 3.744
108 HD1 TYR 17 2HD TYR 17 -1.101 -0.843 6.435
109 HD2 TYR 17 1HD TYR 17 -0.377 -0.663 2.195
110 HE1 TYR 17 2HE TYR 17 -3.012 0.742 6.166
111 HE2 TYR 17 1HE TYR 17 -2.271 0.942 1.926
112 HH TYR 17 HH TYR 17 -3.921 2.124 2.997
113 H ALA 18 H ALA 18 -2.134 -3.700 3.974
114 HA ALA 18 HA ALA 18 -1.991 -3.215 1.134
115 HB1 ALA 18 1HB ALA 18 -3.067 -5.912 2.031
116 HB2 ALA 18 2HB ALA 18 -2.896 -5.299 0.359
117 HB3 ALA 18 3HB ALA 18 -1.451 -5.670 1.337
118 H THR 19 H THR 19 -3.959 -2.747 0.157
119 HA THR 19 HA THR 19 -6.399 -2.525 1.854
120 HB THR 19 HB THR 19 -5.043 -0.487 2.224
121 HG1 THR 19 1HG THR 19 -7.125 -0.082 2.372
122 HG21 THR 19 3HG2 THR 19 -4.590 1.073 0.537
123 HG22 THR 19 1HG2 THR 19 -5.328 0.064 -0.733
124 HG23 THR 19 2HG2 THR 19 -3.830 -0.437 0.086
125 H ARG 20 H ARG 20 -8.238 -1.627 0.616
126 HA ARG 20 HA ARG 20 -8.507 -3.127 -1.910
127 HB2 ARG 20 1HB ARG 20 -10.373 -2.129 0.227
128 HB3 ARG 20 2HB ARG 20 -11.051 -2.344 -1.376
129 HG2 ARG 20 1HG ARG 20 -9.414 -4.491 -0.002
130 HG3 ARG 20 2HG ARG 20 -11.162 -4.368 0.205
131 HD2 ARG 20 1HD ARG 20 -9.863 -4.650 -2.551
132 HD3 ARG 20 2HD ARG 20 -10.311 -6.020 -1.560
133 HE ARG 20 HE ARG 20 -12.594 -5.548 -1.808
134 HH11 ARG 20 2HH1 ARG 20 -10.851 -3.035 -3.621
135 HH12 ARG 20 1HH1 ARG 20 -12.211 -2.804 -4.668
136 HH21 ARG 20 2HH2 ARG 20 -14.259 -5.074 -3.143
137 HH22 ARG 20 1HH2 ARG 20 -14.080 -3.861 -4.376
138 H SER 21 H SER 21 -7.864 0.064 -1.217
139 HA SER 21 HA SER 21 -8.738 0.866 -3.971
140 HB2 SER 21 1HB SER 21 -10.330 1.843 -2.422
141 HB3 SER 21 2HB SER 21 -9.012 2.537 -1.455
142 HG SER 21 HG SER 21 -10.012 3.983 -3.044
143 H LYS 22 H LYS 22 -7.305 1.966 -5.168
144 HA LYS 22 HA LYS 22 -4.548 2.074 -4.436
145 HB2 LYS 22 1HB LYS 22 -4.195 3.187 -6.546
146 HB3 LYS 22 2HB LYS 22 -5.336 1.874 -6.733
147 HG2 LYS 22 1HG LYS 22 -7.230 3.503 -6.757
148 HG3 LYS 22 2HG LYS 22 -6.071 4.825 -6.567
149 HD2 LYS 22 1HD LYS 22 -6.709 4.672 -8.879
150 HD3 LYS 22 2HD LYS 22 -5.005 4.221 -8.720
151 HE2 LYS 22 1HE LYS 22 -5.629 1.818 -8.847
152 HE3 LYS 22 2HE LYS 22 -7.340 2.261 -8.943
153 HZ1 LYS 22 3HZ LYS 22 -5.277 2.992 -10.955
154 HZ2 LYS 22 1HZ LYS 22 -6.858 3.397 -11.045
155 HZ3 LYS 22 2HZ LYS 22 -6.408 1.832 -11.145
156 H SER 23 H SER 23 -7.078 4.511 -4.118
157 HA SER 23 HA SER 23 -5.384 6.739 -3.490
158 HB2 SER 23 1HB SER 23 -8.257 6.182 -2.658
159 HB3 SER 23 2HB SER 23 -7.432 7.753 -2.586
160 HG SER 23 HG SER 23 -8.687 7.509 -4.504
161 H ASN 24 H ASN 24 -6.630 4.079 -1.494
162 HA ASN 24 HA ASN 24 -5.866 5.266 1.067
163 HB2 ASN 24 1HB ASN 24 -6.488 2.402 0.233
164 HB3 ASN 24 2HB ASN 24 -6.175 2.908 1.885
165 HD21 ASN 24 1HD2 ASN 24 -8.394 1.570 1.407
166 HD22 ASN 24 2HD2 ASN 24 -9.797 2.638 1.526
167 H LEU 25 H LEU 25 -4.411 2.680 -1.036
168 HA LEU 25 HA LEU 25 -2.046 2.497 0.469
169 HB2 LEU 25 1HB LEU 25 -2.611 0.821 -1.215
170 HB3 LEU 25 2HB LEU 25 -2.416 1.995 -2.515
171 HG LEU 25 HG LEU 25 -0.054 2.180 -2.012
172 HD11 LEU 25 1HD1 LEU 25 -0.473 0.077 0.138
173 HD12 LEU 25 2HD1 LEU 25 -0.060 1.785 0.441
174 HD13 LEU 25 3HD1 LEU 25 1.092 0.748 -0.373
175 HD21 LEU 25 3HD2 LEU 25 0.748 -0.008 -2.666
176 HD22 LEU 25 1HD2 LEU 25 -0.718 0.422 -3.563
177 HD23 LEU 25 2HD2 LEU 25 -0.803 -0.732 -2.203
178 H LYS 26 H LYS 26 -2.715 4.617 -2.275
179 HA LYS 26 HA LYS 26 -0.228 5.936 -2.511
180 HB2 LYS 26 1HB LYS 26 -2.068 6.229 -4.051
181 HB3 LYS 26 2HB LYS 26 -3.062 7.013 -2.838
182 HG2 LYS 26 1HG LYS 26 -0.393 8.192 -3.702
183 HG3 LYS 26 2HG LYS 26 -1.822 8.384 -4.704
184 HD2 LYS 26 1HD LYS 26 -1.536 9.443 -1.861
185 HD3 LYS 26 2HD LYS 26 -1.444 10.361 -3.358
186 HE2 LYS 26 1HE LYS 26 -3.801 9.670 -3.893
187 HE3 LYS 26 2HE LYS 26 -3.897 8.872 -2.317
188 HZ1 LYS 26 3HZ LYS 26 -4.809 11.118 -2.226
189 HZ2 LYS 26 1HZ LYS 26 -3.407 11.774 -2.731
190 HZ3 LYS 26 2HZ LYS 26 -3.488 11.043 -1.272
191 H ALA 27 H ALA 27 -2.742 6.493 -0.066
192 HA ALA 27 HA ALA 27 -1.415 8.819 1.107
193 HB1 ALA 27 1HB ALA 27 -3.868 8.453 1.232
194 HB2 ALA 27 2HB ALA 27 -3.597 6.993 2.212
195 HB3 ALA 27 3HB ALA 27 -3.134 8.585 2.844
196 H HIS 28 H HIS 28 -1.524 5.310 1.812
197 HA HIS 28 HA HIS 28 0.113 5.350 4.175
198 HB2 HIS 28 1HB HIS 28 -1.335 3.532 3.735
199 HB3 HIS 28 2HB HIS 28 -0.637 3.249 2.146
200 HD1 HIS 28 1HD HIS 28 0.082 2.561 5.820
201 HD2 HIS 28 2HD HIS 28 1.702 1.993 1.984
202 HE1 HIS 28 1HE HIS 28 2.017 0.951 6.126
203 H MET 29 H MET 29 0.918 5.065 0.700
204 HA MET 29 HA MET 29 3.752 4.687 1.012
205 HB2 MET 29 1HB MET 29 2.187 5.929 -1.276
206 HB3 MET 29 2HB MET 29 3.847 5.357 -1.370
207 HG2 MET 29 1HG MET 29 1.894 3.282 -0.438
208 HG3 MET 29 2HG MET 29 1.583 3.948 -2.000
209 HE1 MET 29 3HE MET 29 5.205 1.466 -0.896
210 HE2 MET 29 1HE MET 29 5.099 3.171 -0.382
211 HE3 MET 29 2HE MET 29 3.879 1.998 0.163
212 H ASN 30 H ASN 30 1.729 7.627 0.974
213 HA ASN 30 HA ASN 30 3.986 9.454 0.990
214 HB2 ASN 30 1HB ASN 30 1.026 9.753 1.489
215 HB3 ASN 30 2HB ASN 30 2.143 11.024 1.973
216 HD21 ASN 30 1HD2 ASN 30 1.061 9.161 -0.903
217 HD22 ASN 30 2HD2 ASN 30 1.558 10.424 -2.023
218 H ARG 31 H ARG 31 2.378 7.614 3.573
219 HA ARG 31 HA ARG 31 3.680 9.026 5.767
220 HB2 ARG 31 1HB ARG 31 2.728 6.139 5.702
221 HB3 ARG 31 2HB ARG 31 3.214 7.060 7.119
222 HG2 ARG 31 1HG ARG 31 1.350 8.669 6.741
223 HG3 ARG 31 2HG ARG 31 0.840 7.729 5.335
224 HD2 ARG 31 1HD ARG 31 -0.566 7.086 7.131
225 HD3 ARG 31 2HD ARG 31 0.516 5.733 6.820
226 HE ARG 31 HE ARG 31 0.586 7.633 9.136
227 HH11 ARG 31 2HH1 ARG 31 1.846 4.633 7.813
228 HH12 ARG 31 1HH1 ARG 31 2.545 4.164 9.339
229 HH21 ARG 31 2HH2 ARG 31 1.507 6.967 11.027
230 HH22 ARG 31 1HH2 ARG 31 2.359 5.453 11.100
231 H HIS 32 H HIS 32 4.598 6.135 3.853
232 HA HIS 32 HA HIS 32 7.162 5.751 5.083
233 HB2 HIS 32 1HB HIS 32 6.095 5.105 2.306
234 HB3 HIS 32 2HB HIS 32 7.729 4.720 2.808
235 HD1 HIS 32 1HD HIS 32 7.877 3.020 5.062
236 HD2 HIS 32 2HD HIS 32 4.428 3.155 2.670
237 HE1 HIS 32 1HE HIS 32 6.722 0.790 5.401
238 H SER 33 H SER 33 6.093 7.967 2.543
239 HA SER 33 HA SER 33 8.749 8.841 1.763
240 HB2 SER 33 1HB SER 33 6.013 10.001 1.149
241 HB3 SER 33 2HB SER 33 7.538 10.474 0.416
242 HG SER 33 HG SER 33 6.255 7.930 0.264
243 H THR 34 H THR 34 7.300 9.535 4.590
244 HA THR 34 HA THR 34 7.298 12.265 5.069
245 HB THR 34 HB THR 34 6.606 10.572 6.652
246 HG1 THR 34 1HG THR 34 7.477 11.519 8.486
247 HG21 THR 34 3HG2 THR 34 8.508 8.952 6.224
248 HG22 THR 34 1HG2 THR 34 8.121 9.213 7.934
249 HG23 THR 34 2HG2 THR 34 9.546 9.995 7.210
250 H GLU 35 H GLU 35 8.719 13.879 5.476
251 HA GLU 35 HA GLU 35 11.427 13.548 4.464
252 HB2 GLU 35 1HB GLU 35 11.541 15.883 4.376
253 HB3 GLU 35 2HB GLU 35 9.935 15.446 3.836
254 HG2 GLU 35 1HG GLU 35 10.701 16.580 6.566
255 HG3 GLU 35 2HG GLU 35 9.967 17.469 5.244
256 H LYS 36 H LYS 36 13.323 14.414 5.361
257 HA LYS 36 HA LYS 36 13.611 14.187 8.312
258 HB2 LYS 36 1HB LYS 36 13.891 11.965 7.144
259 HB3 LYS 36 2HB LYS 36 15.252 12.657 6.247
260 HG2 LYS 36 1HG LYS 36 16.410 13.114 8.404
261 HG3 LYS 36 2HG LYS 36 15.019 12.424 9.276
262 HD2 LYS 36 1HD LYS 36 15.396 10.247 8.146
263 HD3 LYS 36 2HD LYS 36 16.776 10.940 7.266
264 HE2 LYS 36 1HE LYS 36 17.912 11.412 9.429
265 HE3 LYS 36 2HE LYS 36 16.538 10.724 10.305
266 HZ1 LYS 36 3HZ LYS 36 18.325 9.102 10.047
267 HZ2 LYS 36 1HZ LYS 36 18.281 9.223 8.421
268 HZ3 LYS 36 2HZ LYS 36 17.011 8.586 9.230
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 7.190 -19.874 -8.263
2 H2 GLY 1 2H GLY 1 7.116 -21.119 -7.201
3 H3 GLY 1 3H GLY 1 8.420 -20.124 -7.208
4 HA2 GLY 1 1HA GLY 1 7.000 -19.611 -5.334
5 HA3 GLY 1 2HA GLY 1 7.103 -18.258 -6.475
6 H SER 2 H SER 2 4.972 -19.021 -4.523
7 HA SER 2 HA SER 2 2.685 -20.052 -5.898
8 HB2 SER 2 1HB SER 2 2.810 -18.320 -3.403
9 HB3 SER 2 2HB SER 2 1.429 -19.299 -3.939
10 HG SER 2 HG SER 2 2.711 -20.385 -2.364
11 H SER 3 H SER 3 0.815 -19.067 -6.669
12 HA SER 3 HA SER 3 1.160 -16.420 -7.885
13 HB2 SER 3 1HB SER 3 -0.898 -17.049 -9.116
14 HB3 SER 3 2HB SER 3 0.402 -18.242 -9.259
15 HG SER 3 HG SER 3 -1.642 -19.217 -8.817
16 H GLY 4 H GLY 4 -0.193 -17.421 -4.954
17 HA2 GLY 4 1HA GLY 4 -2.547 -15.773 -4.801
18 HA3 GLY 4 2HA GLY 4 -1.702 -16.524 -3.456
19 H SER 5 H SER 5 -2.799 -14.228 -2.922
20 HA SER 5 HA SER 5 -0.565 -12.353 -2.438
21 HB2 SER 5 1HB SER 5 -1.751 -11.635 -4.557
22 HB3 SER 5 2HB SER 5 -3.210 -11.382 -3.580
23 HG SER 5 HG SER 5 -1.944 -9.465 -3.827
24 H SER 6 H SER 6 -1.395 -10.547 -0.941
25 HA SER 6 HA SER 6 -2.225 -11.858 1.475
26 HB2 SER 6 1HB SER 6 -1.610 -8.922 1.014
27 HB3 SER 6 2HB SER 6 -1.636 -9.775 2.571
28 HG SER 6 HG SER 6 0.489 -9.624 1.795
29 H GLY 7 H GLY 7 -4.460 -11.769 -0.348
30 HA2 GLY 7 1HA GLY 7 -6.744 -11.618 -0.178
31 HA3 GLY 7 2HA GLY 7 -6.545 -10.977 1.453
32 H LYS 8 H LYS 8 -4.905 -8.945 -0.674
33 HA LYS 8 HA LYS 8 -7.229 -7.179 -1.223
34 HB2 LYS 8 1HB LYS 8 -4.744 -6.451 0.366
35 HB3 LYS 8 2HB LYS 8 -5.755 -5.247 -0.406
36 HG2 LYS 8 1HG LYS 8 -6.707 -5.137 1.618
37 HG3 LYS 8 2HG LYS 8 -7.698 -6.453 0.997
38 HD2 LYS 8 1HD LYS 8 -6.237 -8.088 2.168
39 HD3 LYS 8 2HD LYS 8 -5.174 -6.771 2.699
40 HE2 LYS 8 1HE LYS 8 -7.054 -5.760 3.952
41 HE3 LYS 8 2HE LYS 8 -8.125 -7.061 3.410
42 HZ1 LYS 8 3HZ LYS 8 -6.685 -8.642 4.592
43 HZ2 LYS 8 1HZ LYS 8 -7.247 -7.513 5.628
44 HZ3 LYS 8 2HZ LYS 8 -5.706 -7.435 5.100
45 HA PRO 9 HA PRO 9 -5.246 -6.547 -5.093
46 HB2 PRO 9 1HB PRO 9 -6.231 -4.135 -5.909
47 HB3 PRO 9 2HB PRO 9 -7.206 -5.632 -5.800
48 HG2 PRO 9 1HG PRO 9 -6.930 -3.448 -3.710
49 HG3 PRO 9 2HG PRO 9 -8.447 -4.137 -4.385
50 HD2 PRO 9 1HD PRO 9 -7.430 -5.021 -2.044
51 HD3 PRO 9 2HD PRO 9 -8.079 -6.196 -3.236
52 H PHE 10 H PHE 10 -4.915 -3.721 -2.859
53 HA PHE 10 HA PHE 10 -2.397 -2.920 -4.270
54 HB2 PHE 10 1HB PHE 10 -4.188 -1.236 -2.530
55 HB3 PHE 10 2HB PHE 10 -2.844 -0.709 -3.509
56 HD1 PHE 10 1HD PHE 10 -2.900 -1.275 -6.058
57 HD2 PHE 10 2HD PHE 10 -6.373 -1.118 -3.516
58 HE1 PHE 10 1HE PHE 10 -4.340 -1.118 -8.049
59 HE2 PHE 10 2HE PHE 10 -7.832 -0.950 -5.524
60 HZ PHE 10 HZ PHE 10 -6.822 -0.948 -7.799
61 H LYS 11 H LYS 11 -1.084 -4.225 -3.429
62 HA LYS 11 HA LYS 11 -0.337 -4.175 -0.559
63 HB2 LYS 11 1HB LYS 11 -0.387 -6.345 -1.549
64 HB3 LYS 11 2HB LYS 11 0.477 -5.803 -2.978
65 HG2 LYS 11 1HG LYS 11 1.891 -7.197 -1.648
66 HG3 LYS 11 2HG LYS 11 2.551 -5.573 -1.730
67 HD2 LYS 11 1HD LYS 11 1.869 -5.177 0.616
68 HD3 LYS 11 2HD LYS 11 0.979 -6.715 0.625
69 HE2 LYS 11 1HE LYS 11 3.061 -7.211 1.672
70 HE3 LYS 11 2HE LYS 11 3.157 -7.887 0.050
71 HZ1 LYS 11 3HZ LYS 11 4.378 -5.348 0.986
72 HZ2 LYS 11 1HZ LYS 11 4.353 -5.757 -0.577
73 HZ3 LYS 11 2HZ LYS 11 5.184 -6.691 0.495
74 H CYS 12 H CYS 12 1.020 -2.856 0.172
75 HA CYS 12 HA CYS 12 2.542 -0.838 -1.044
76 HB2 CYS 12 1HB CYS 12 1.887 -0.882 1.269
77 HB3 CYS 12 2HB CYS 12 2.799 -2.366 1.557
78 H SER 13 H SER 13 4.666 -0.558 -1.537
79 HA SER 13 HA SER 13 6.116 -2.883 -2.613
80 HB2 SER 13 1HB SER 13 6.802 0.079 -2.682
81 HB3 SER 13 2HB SER 13 7.601 -1.206 -3.605
82 HG SER 13 HG SER 13 6.020 -0.127 -4.860
83 H LEU 14 H LEU 14 6.097 -1.332 0.378
84 HA LEU 14 HA LEU 14 9.020 -1.808 0.922
85 HB2 LEU 14 1HB LEU 14 7.113 0.167 2.217
86 HB3 LEU 14 2HB LEU 14 8.842 0.060 2.485
87 HG LEU 14 HG LEU 14 7.576 0.792 -0.192
88 HD11 LEU 14 1HD1 LEU 14 8.759 2.564 1.970
89 HD12 LEU 14 2HD1 LEU 14 7.069 2.494 1.417
90 HD13 LEU 14 3HD1 LEU 14 8.320 3.097 0.326
91 HD21 LEU 14 3HD2 LEU 14 9.836 1.584 -0.770
92 HD22 LEU 14 1HD2 LEU 14 9.835 -0.150 -0.426
93 HD23 LEU 14 2HD2 LEU 14 10.448 0.995 0.793
94 H CYS 15 H CYS 15 5.767 -2.005 2.256
95 HA CYS 15 HA CYS 15 6.712 -3.924 4.342
96 HB2 CYS 15 1HB CYS 15 5.541 -2.861 6.054
97 HB3 CYS 15 2HB CYS 15 6.391 -1.590 5.216
98 H GLU 16 H GLU 16 4.581 -4.745 5.521
99 HA GLU 16 HA GLU 16 3.224 -6.320 3.434
100 HB2 GLU 16 1HB GLU 16 4.389 -7.199 5.600
101 HB3 GLU 16 2HB GLU 16 2.905 -6.716 6.422
102 HG2 GLU 16 1HG GLU 16 1.615 -8.274 4.967
103 HG3 GLU 16 2HG GLU 16 3.077 -8.634 4.047
104 H TYR 17 H TYR 17 2.512 -3.379 4.382
105 HA TYR 17 HA TYR 17 -0.290 -3.493 5.048
106 HB2 TYR 17 1HB TYR 17 1.116 -1.518 5.317
107 HB3 TYR 17 2HB TYR 17 1.432 -1.444 3.607
108 HD1 TYR 17 1HD TYR 17 -0.313 -0.646 2.038
109 HD2 TYR 17 2HD TYR 17 -1.032 -0.765 6.282
110 HE1 TYR 17 1HE TYR 17 -2.259 0.915 1.751
111 HE2 TYR 17 2HE TYR 17 -2.972 0.771 5.992
112 HH TYR 17 HH TYR 17 -4.254 1.954 4.523
113 H ALA 18 H ALA 18 -2.082 -3.726 3.859
114 HA ALA 18 HA ALA 18 -1.987 -3.156 1.044
115 HB1 ALA 18 1HB ALA 18 -1.373 -5.581 1.107
116 HB2 ALA 18 2HB ALA 18 -2.932 -5.921 1.885
117 HB3 ALA 18 3HB ALA 18 -2.879 -5.253 0.224
118 H THR 19 H THR 19 -3.968 -2.731 0.077
119 HA THR 19 HA THR 19 -6.385 -2.573 1.812
120 HB THR 19 HB THR 19 -5.118 -0.484 2.169
121 HG1 THR 19 1HG THR 19 -7.356 -0.390 2.168
122 HG21 THR 19 3HG2 THR 19 -4.808 1.120 0.427
123 HG22 THR 19 1HG2 THR 19 -5.352 -0.033 -0.811
124 HG23 THR 19 2HG2 THR 19 -3.861 -0.330 0.111
125 H ARG 20 H ARG 20 -8.309 -1.897 0.672
126 HA ARG 20 HA ARG 20 -8.554 -3.142 -2.001
127 HB2 ARG 20 1HB ARG 20 -10.505 -2.358 0.177
128 HB3 ARG 20 2HB ARG 20 -11.077 -2.781 -1.432
129 HG2 ARG 20 1HG ARG 20 -9.224 -4.649 0.088
130 HG3 ARG 20 2HG ARG 20 -10.971 -4.650 0.366
131 HD2 ARG 20 1HD ARG 20 -11.449 -5.194 -1.922
132 HD3 ARG 20 2HD ARG 20 -9.764 -4.997 -2.409
133 HE ARG 20 HE ARG 20 -9.697 -6.966 -0.431
134 HH11 ARG 20 2HH1 ARG 20 -11.435 -6.720 -3.468
135 HH12 ARG 20 1HH1 ARG 20 -11.375 -8.438 -3.738
136 HH21 ARG 20 2HH2 ARG 20 -9.515 -9.116 -0.924
137 HH22 ARG 20 1HH2 ARG 20 -10.373 -9.763 -2.301
138 H SER 21 H SER 21 -7.908 -0.032 -1.025
139 HA SER 21 HA SER 21 -8.978 0.988 -3.629
140 HB2 SER 21 1HB SER 21 -10.388 1.818 -1.768
141 HB3 SER 21 2HB SER 21 -8.949 2.579 -1.049
142 HG SER 21 HG SER 21 -10.080 4.049 -2.401
143 H LYS 22 H LYS 22 -7.561 1.920 -4.905
144 HA LYS 22 HA LYS 22 -4.769 1.905 -4.360
145 HB2 LYS 22 1HB LYS 22 -5.914 1.716 -6.591
146 HB3 LYS 22 2HB LYS 22 -6.252 3.444 -6.535
147 HG2 LYS 22 1HG LYS 22 -3.766 3.865 -6.380
148 HG3 LYS 22 2HG LYS 22 -3.493 2.125 -6.537
149 HD2 LYS 22 1HD LYS 22 -4.881 3.900 -8.599
150 HD3 LYS 22 2HD LYS 22 -3.184 3.406 -8.655
151 HE2 LYS 22 1HE LYS 22 -3.866 1.024 -8.762
152 HE3 LYS 22 2HE LYS 22 -5.569 1.506 -8.733
153 HZ1 LYS 22 3HZ LYS 22 -5.197 2.696 -10.830
154 HZ2 LYS 22 1HZ LYS 22 -4.800 1.124 -11.005
155 HZ3 LYS 22 2HZ LYS 22 -3.626 2.246 -10.860
156 H SER 23 H SER 23 -7.124 4.556 -4.083
157 HA SER 23 HA SER 23 -5.176 6.650 -3.667
158 HB2 SER 23 1HB SER 23 -7.098 7.977 -2.908
159 HB3 SER 23 2HB SER 23 -7.419 7.153 -4.445
160 HG SER 23 HG SER 23 -9.172 6.945 -2.978
161 H ASN 24 H ASN 24 -6.593 4.247 -1.512
162 HA ASN 24 HA ASN 24 -5.684 5.595 0.925
163 HB2 ASN 24 1HB ASN 24 -7.687 4.067 0.786
164 HB3 ASN 24 2HB ASN 24 -6.586 2.716 0.530
165 HD21 ASN 24 1HD2 ASN 24 -7.177 1.671 2.428
166 HD22 ASN 24 2HD2 ASN 24 -6.854 2.330 4.032
167 H LEU 25 H LEU 25 -4.502 2.755 -1.034
168 HA LEU 25 HA LEU 25 -2.081 2.494 0.370
169 HB2 LEU 25 1HB LEU 25 -2.744 0.841 -1.334
170 HB3 LEU 25 2HB LEU 25 -2.540 2.036 -2.609
171 HG LEU 25 HG LEU 25 -0.176 2.181 -2.171
172 HD11 LEU 25 1HD1 LEU 25 1.014 0.719 -0.575
173 HD12 LEU 25 2HD1 LEU 25 -0.544 0.114 0.020
174 HD13 LEU 25 3HD1 LEU 25 -0.067 1.815 0.258
175 HD21 LEU 25 3HD2 LEU 25 -0.891 0.392 -3.694
176 HD22 LEU 25 1HD2 LEU 25 -0.891 -0.739 -2.311
177 HD23 LEU 25 2HD2 LEU 25 0.619 0.007 -2.845
178 H LYS 26 H LYS 26 -2.702 4.595 -2.439
179 HA LYS 26 HA LYS 26 -0.236 5.907 -2.741
180 HB2 LYS 26 1HB LYS 26 -2.297 6.259 -4.115
181 HB3 LYS 26 2HB LYS 26 -3.025 7.118 -2.765
182 HG2 LYS 26 1HG LYS 26 -0.906 8.731 -3.017
183 HG3 LYS 26 2HG LYS 26 -0.799 7.976 -4.608
184 HD2 LYS 26 1HD LYS 26 -2.117 9.904 -4.935
185 HD3 LYS 26 2HD LYS 26 -3.299 8.575 -4.866
186 HE2 LYS 26 1HE LYS 26 -3.802 9.121 -2.510
187 HE3 LYS 26 2HE LYS 26 -2.550 10.370 -2.514
188 HZ1 LYS 26 3HZ LYS 26 -4.989 10.428 -4.214
189 HZ2 LYS 26 1HZ LYS 26 -3.832 11.580 -4.184
190 HZ3 LYS 26 2HZ LYS 26 -4.758 11.322 -2.868
191 H ALA 27 H ALA 27 -2.717 6.585 -0.327
192 HA ALA 27 HA ALA 27 -1.351 8.827 0.923
193 HB1 ALA 27 1HB ALA 27 -3.552 7.036 2.039
194 HB2 ALA 27 2HB ALA 27 -3.057 8.624 2.653
195 HB3 ALA 27 3HB ALA 27 -3.804 8.491 1.050
196 H HIS 28 H HIS 28 -1.578 5.321 1.745
197 HA HIS 28 HA HIS 28 0.122 5.343 4.024
198 HB2 HIS 28 1HB HIS 28 -1.302 3.510 3.586
199 HB3 HIS 28 2HB HIS 28 -0.634 3.250 1.988
200 HD1 HIS 28 1HD HIS 28 0.203 2.551 5.644
201 HD2 HIS 28 2HD HIS 28 1.732 2.062 1.754
202 HE1 HIS 28 1HE HIS 28 2.185 1.011 5.890
203 H MET 29 H MET 29 0.971 5.076 0.538
204 HA MET 29 HA MET 29 3.781 4.672 0.973
205 HB2 MET 29 1HB MET 29 2.342 5.844 -1.440
206 HB3 MET 29 2HB MET 29 4.017 5.291 -1.404
207 HG2 MET 29 1HG MET 29 1.515 3.612 -1.086
208 HG3 MET 29 2HG MET 29 2.665 3.546 -2.382
209 HE1 MET 29 3HE MET 29 5.000 2.503 -2.254
210 HE2 MET 29 1HE MET 29 5.486 3.487 -0.846
211 HE3 MET 29 2HE MET 29 5.684 1.716 -0.813
212 H ASN 30 H ASN 30 1.865 7.591 1.096
213 HA ASN 30 HA ASN 30 4.218 9.368 1.155
214 HB2 ASN 30 1HB ASN 30 1.234 9.770 1.530
215 HB3 ASN 30 2HB ASN 30 2.394 11.008 2.004
216 HD21 ASN 30 1HD2 ASN 30 1.258 9.104 -0.846
217 HD22 ASN 30 2HD2 ASN 30 1.847 10.303 -1.990
218 H ARG 31 H ARG 31 2.191 7.673 3.569
219 HA ARG 31 HA ARG 31 3.408 8.852 5.913
220 HB2 ARG 31 1HB ARG 31 2.296 6.037 5.640
221 HB3 ARG 31 2HB ARG 31 2.557 6.912 7.139
222 HG2 ARG 31 1HG ARG 31 0.835 8.552 6.612
223 HG3 ARG 31 2HG ARG 31 0.606 7.853 5.013
224 HD2 ARG 31 1HD ARG 31 0.016 5.655 6.221
225 HD3 ARG 31 2HD ARG 31 -0.142 6.642 7.679
226 HE ARG 31 HE ARG 31 -1.725 8.078 6.147
227 HH11 ARG 31 1HH1 ARG 31 -1.723 4.577 6.228
228 HH12 ARG 31 2HH1 ARG 31 -3.261 4.476 5.414
229 HH21 ARG 31 2HH2 ARG 31 -3.739 7.856 5.231
230 HH22 ARG 31 1HH2 ARG 31 -4.375 6.270 4.911
231 H HIS 32 H HIS 32 4.628 6.408 3.708
232 HA HIS 32 HA HIS 32 6.811 5.616 5.456
233 HB2 HIS 32 1HB HIS 32 6.191 5.238 2.519
234 HB3 HIS 32 2HB HIS 32 7.793 4.879 3.129
235 HD1 HIS 32 1HD HIS 32 7.851 3.021 5.246
236 HD2 HIS 32 2HD HIS 32 4.579 3.193 2.620
237 HE1 HIS 32 1HE HIS 32 6.747 0.742 5.377
238 H SER 33 H SER 33 6.237 8.425 3.494
239 HA SER 33 HA SER 33 9.113 9.065 3.150
240 HB2 SER 33 1HB SER 33 7.463 9.150 1.259
241 HB3 SER 33 2HB SER 33 6.666 10.507 2.080
242 HG SER 33 HG SER 33 8.234 11.177 0.514
243 H THR 34 H THR 34 6.257 10.245 4.938
244 HA THR 34 HA THR 34 7.373 12.774 5.705
245 HB THR 34 HB THR 34 5.581 12.739 7.477
246 HG1 THR 34 1HG THR 34 4.077 11.103 7.367
247 HG21 THR 34 3HG2 THR 34 3.723 12.944 5.887
248 HG22 THR 34 1HG2 THR 34 4.674 12.123 4.630
249 HG23 THR 34 2HG2 THR 34 5.183 13.711 5.243
250 H GLU 35 H GLU 35 8.156 13.536 7.671
251 HA GLU 35 HA GLU 35 9.815 11.676 9.218
252 HB2 GLU 35 1HB GLU 35 10.616 13.912 8.524
253 HB3 GLU 35 2HB GLU 35 9.378 14.668 9.537
254 HG2 GLU 35 1HG GLU 35 10.386 13.648 11.552
255 HG3 GLU 35 2HG GLU 35 11.559 12.789 10.551
256 H LYS 36 H LYS 36 9.442 10.938 11.242
257 HA LYS 36 HA LYS 36 6.879 11.577 12.648
258 HB2 LYS 36 1HB LYS 36 7.973 8.861 11.830
259 HB3 LYS 36 2HB LYS 36 6.616 9.091 12.933
260 HG2 LYS 36 1HG LYS 36 5.250 10.108 11.228
261 HG3 LYS 36 2HG LYS 36 6.583 10.181 10.079
262 HD2 LYS 36 1HD LYS 36 5.363 7.605 11.122
263 HD3 LYS 36 2HD LYS 36 5.005 8.380 9.566
264 HE2 LYS 36 1HE LYS 36 7.468 8.240 9.002
265 HE3 LYS 36 2HE LYS 36 7.702 7.277 10.470
266 HZ1 LYS 36 3HZ LYS 36 6.074 5.673 9.531
267 HZ2 LYS 36 1HZ LYS 36 7.395 5.834 8.578
268 HZ3 LYS 36 2HZ LYS 36 5.998 6.571 8.152
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 -8.162 -6.997 12.775
2 H2 GLY 1 2H GLY 1 -6.568 -6.880 12.421
3 H3 GLY 1 3H GLY 1 -7.263 -8.353 12.607
4 HA2 GLY 1 1HA GLY 1 -7.867 -6.431 10.452
5 HA3 GLY 1 2HA GLY 1 -6.899 -7.903 10.270
6 H SER 2 H SER 2 -8.638 -8.171 8.530
7 HA SER 2 HA SER 2 -11.322 -8.936 9.349
8 HB2 SER 2 1HB SER 2 -11.552 -9.564 6.961
9 HB3 SER 2 2HB SER 2 -10.946 -7.914 7.185
10 HG SER 2 HG SER 2 -9.844 -9.382 5.603
11 H SER 3 H SER 3 -8.358 -10.672 8.689
12 HA SER 3 HA SER 3 -7.618 -12.769 8.823
13 HB2 SER 3 1HB SER 3 -9.970 -13.275 10.658
14 HB3 SER 3 2HB SER 3 -8.544 -14.311 10.470
15 HG SER 3 HG SER 3 -8.346 -12.868 12.252
16 H GLY 4 H GLY 4 -11.043 -12.745 7.886
17 HA2 GLY 4 1HA GLY 4 -10.966 -15.381 6.639
18 HA3 GLY 4 2HA GLY 4 -12.257 -14.186 6.549
19 H SER 5 H SER 5 -9.999 -12.222 5.516
20 HA SER 5 HA SER 5 -10.631 -12.513 2.732
21 HB2 SER 5 1HB SER 5 -8.492 -10.790 4.032
22 HB3 SER 5 2HB SER 5 -9.145 -10.596 2.398
23 HG SER 5 HG SER 5 -11.184 -10.145 3.316
24 H SER 6 H SER 6 -9.552 -13.390 1.048
25 HA SER 6 HA SER 6 -7.253 -15.123 1.487
26 HB2 SER 6 1HB SER 6 -9.127 -15.583 -0.100
27 HB3 SER 6 2HB SER 6 -8.548 -14.254 -1.124
28 HG SER 6 HG SER 6 -7.755 -16.331 -1.772
29 H GLY 7 H GLY 7 -7.699 -11.860 0.188
30 HA2 GLY 7 1HA GLY 7 -5.058 -10.986 0.653
31 HA3 GLY 7 2HA GLY 7 -5.161 -11.457 -1.048
32 H LYS 8 H LYS 8 -4.547 -9.018 -0.888
33 HA LYS 8 HA LYS 8 -6.995 -7.360 -1.350
34 HB2 LYS 8 1HB LYS 8 -4.451 -6.671 0.135
35 HB3 LYS 8 2HB LYS 8 -5.410 -5.420 -0.631
36 HG2 LYS 8 1HG LYS 8 -6.117 -5.309 1.523
37 HG3 LYS 8 2HG LYS 8 -7.400 -6.246 0.774
38 HD2 LYS 8 1HD LYS 8 -6.645 -8.269 1.805
39 HD3 LYS 8 2HD LYS 8 -5.070 -7.590 2.235
40 HE2 LYS 8 1HE LYS 8 -7.698 -6.514 3.342
41 HE3 LYS 8 2HE LYS 8 -6.835 -7.856 4.097
42 HZ1 LYS 8 3HZ LYS 8 -5.638 -5.152 3.696
43 HZ2 LYS 8 1HZ LYS 8 -4.932 -6.424 4.444
44 HZ3 LYS 8 2HZ LYS 8 -6.243 -5.719 5.102
45 HA PRO 9 HA PRO 9 -5.164 -6.509 -5.288
46 HB2 PRO 9 1HB PRO 9 -6.263 -4.108 -5.980
47 HB3 PRO 9 2HB PRO 9 -7.197 -5.634 -5.885
48 HG2 PRO 9 1HG PRO 9 -6.882 -3.527 -3.720
49 HG3 PRO 9 2HG PRO 9 -8.415 -4.206 -4.373
50 HD2 PRO 9 1HD PRO 9 -7.304 -5.159 -2.106
51 HD3 PRO 9 2HD PRO 9 -7.988 -6.301 -3.307
52 H PHE 10 H PHE 10 -4.872 -3.776 -2.919
53 HA PHE 10 HA PHE 10 -2.339 -2.919 -4.274
54 HB2 PHE 10 1HB PHE 10 -4.169 -1.236 -2.574
55 HB3 PHE 10 2HB PHE 10 -2.797 -0.718 -3.513
56 HD1 PHE 10 1HD PHE 10 -2.778 -1.087 -6.048
57 HD2 PHE 10 2HD PHE 10 -6.341 -1.255 -3.636
58 HE1 PHE 10 1HE PHE 10 -4.153 -0.868 -8.082
59 HE2 PHE 10 2HE PHE 10 -7.738 -1.063 -5.684
60 HZ PHE 10 HZ PHE 10 -6.648 -0.877 -7.918
61 H LYS 11 H LYS 11 -1.060 -4.242 -3.388
62 HA LYS 11 HA LYS 11 -0.418 -4.207 -0.489
63 HB2 LYS 11 1HB LYS 11 -0.407 -6.370 -1.517
64 HB3 LYS 11 2HB LYS 11 0.521 -5.799 -2.894
65 HG2 LYS 11 1HG LYS 11 1.877 -7.199 -1.493
66 HG3 LYS 11 2HG LYS 11 2.528 -5.568 -1.544
67 HD2 LYS 11 1HD LYS 11 1.787 -5.175 0.755
68 HD3 LYS 11 2HD LYS 11 0.813 -6.662 0.732
69 HE2 LYS 11 1HE LYS 11 2.820 -7.197 1.915
70 HE3 LYS 11 2HE LYS 11 2.910 -7.989 0.346
71 HZ1 LYS 11 3HZ LYS 11 4.258 -5.437 1.070
72 HZ2 LYS 11 1HZ LYS 11 4.327 -6.109 -0.407
73 HZ3 LYS 11 2HZ LYS 11 5.009 -6.884 0.868
74 H CYS 12 H CYS 12 0.889 -2.835 0.290
75 HA CYS 12 HA CYS 12 2.463 -0.833 -0.922
76 HB2 CYS 12 1HB CYS 12 1.708 -0.930 1.416
77 HB3 CYS 12 2HB CYS 12 2.752 -2.325 1.712
78 H SER 13 H SER 13 4.478 -0.757 -1.776
79 HA SER 13 HA SER 13 5.874 -3.253 -2.418
80 HB2 SER 13 1HB SER 13 7.349 -1.773 -3.745
81 HB3 SER 13 2HB SER 13 5.633 -1.593 -4.143
82 HG SER 13 HG SER 13 6.702 0.434 -3.916
83 H LEU 14 H LEU 14 5.895 -1.349 0.276
84 HA LEU 14 HA LEU 14 8.831 -1.595 0.832
85 HB2 LEU 14 1HB LEU 14 6.784 0.300 2.026
86 HB3 LEU 14 2HB LEU 14 8.518 0.376 2.220
87 HG LEU 14 HG LEU 14 7.111 0.748 -0.475
88 HD11 LEU 14 1HD1 LEU 14 7.550 3.123 -0.243
89 HD12 LEU 14 2HD1 LEU 14 8.197 2.852 1.399
90 HD13 LEU 14 3HD1 LEU 14 6.482 2.528 1.025
91 HD21 LEU 14 3HD2 LEU 14 9.275 1.691 -1.192
92 HD22 LEU 14 1HD2 LEU 14 9.451 0.005 -0.690
93 HD23 LEU 14 2HD2 LEU 14 9.976 1.311 0.399
94 H CYS 15 H CYS 15 5.605 -1.963 2.222
95 HA CYS 15 HA CYS 15 6.687 -3.782 4.317
96 HB2 CYS 15 1HB CYS 15 5.609 -2.705 6.053
97 HB3 CYS 15 2HB CYS 15 6.314 -1.411 5.129
98 H GLU 16 H GLU 16 4.541 -4.570 5.593
99 HA GLU 16 HA GLU 16 3.236 -6.287 3.581
100 HB2 GLU 16 1HB GLU 16 4.419 -7.047 5.771
101 HB3 GLU 16 2HB GLU 16 2.942 -6.534 6.591
102 HG2 GLU 16 1HG GLU 16 1.643 -8.183 5.263
103 HG3 GLU 16 2HG GLU 16 3.079 -8.568 4.312
104 H TYR 17 H TYR 17 2.451 -3.327 4.524
105 HA TYR 17 HA TYR 17 -0.356 -3.505 5.153
106 HB2 TYR 17 1HB TYR 17 1.030 -1.519 5.439
107 HB3 TYR 17 2HB TYR 17 1.309 -1.408 3.722
108 HD1 TYR 17 1HD TYR 17 -0.472 -0.599 2.201
109 HD2 TYR 17 2HD TYR 17 -1.107 -0.824 6.454
110 HE1 TYR 17 1HE TYR 17 -2.397 0.994 1.985
111 HE2 TYR 17 2HE TYR 17 -3.043 0.735 6.238
112 HH TYR 17 HH TYR 17 -4.016 2.162 3.117
113 H ALA 18 H ALA 18 -2.170 -3.711 3.931
114 HA ALA 18 HA ALA 18 -2.039 -3.154 1.113
115 HB1 ALA 18 1HB ALA 18 -2.956 -5.947 1.886
116 HB2 ALA 18 2HB ALA 18 -2.781 -5.254 0.242
117 HB3 ALA 18 3HB ALA 18 -1.346 -5.581 1.234
118 H THR 19 H THR 19 -3.973 -2.749 0.115
119 HA THR 19 HA THR 19 -6.452 -2.637 1.774
120 HB THR 19 HB THR 19 -5.208 -0.539 2.158
121 HG1 THR 19 1HG THR 19 -7.463 -0.445 2.036
122 HG21 THR 19 3HG2 THR 19 -3.860 -0.392 0.173
123 HG22 THR 19 1HG2 THR 19 -4.844 1.050 0.399
124 HG23 THR 19 2HG2 THR 19 -5.306 -0.141 -0.833
125 H ARG 20 H ARG 20 -8.340 -1.930 0.563
126 HA ARG 20 HA ARG 20 -8.553 -3.133 -2.126
127 HB2 ARG 20 1HB ARG 20 -10.554 -2.067 -0.106
128 HB3 ARG 20 2HB ARG 20 -11.037 -2.568 -1.718
129 HG2 ARG 20 1HG ARG 20 -9.556 -4.421 0.196
130 HG3 ARG 20 2HG ARG 20 -11.310 -4.295 0.143
131 HD2 ARG 20 1HD ARG 20 -9.608 -5.042 -2.272
132 HD3 ARG 20 2HD ARG 20 -10.320 -6.219 -1.188
133 HE ARG 20 HE ARG 20 -11.679 -4.576 -3.215
134 HH11 ARG 20 2HH1 ARG 20 -12.251 -6.641 -0.433
135 HH12 ARG 20 1HH1 ARG 20 -13.907 -6.936 -0.890
136 HH21 ARG 20 2HH2 ARG 20 -13.792 -4.997 -3.725
137 HH22 ARG 20 1HH2 ARG 20 -14.747 -6.028 -2.702
138 H SER 21 H SER 21 -7.885 -0.003 -0.986
139 HA SER 21 HA SER 21 -8.873 1.200 -3.559
140 HB2 SER 21 1HB SER 21 -10.144 2.128 -1.784
141 HB3 SER 21 2HB SER 21 -8.700 2.409 -0.796
142 HG SER 21 HG SER 21 -9.555 4.277 -2.005
143 H LYS 22 H LYS 22 -7.403 1.928 -4.913
144 HA LYS 22 HA LYS 22 -4.596 1.969 -4.366
145 HB2 LYS 22 1HB LYS 22 -4.317 2.923 -6.550
146 HB3 LYS 22 2HB LYS 22 -5.521 1.648 -6.602
147 HG2 LYS 22 1HG LYS 22 -7.344 3.345 -6.682
148 HG3 LYS 22 2HG LYS 22 -6.141 4.632 -6.572
149 HD2 LYS 22 1HD LYS 22 -6.777 4.437 -8.875
150 HD3 LYS 22 2HD LYS 22 -5.115 3.899 -8.691
151 HE2 LYS 22 1HE LYS 22 -6.131 2.393 -10.207
152 HE3 LYS 22 2HE LYS 22 -5.937 1.505 -8.698
153 HZ1 LYS 22 3HZ LYS 22 -8.462 2.781 -9.636
154 HZ2 LYS 22 1HZ LYS 22 -8.316 1.929 -8.249
155 HZ3 LYS 22 2HZ LYS 22 -8.148 1.185 -9.691
156 H SER 23 H SER 23 -7.017 4.529 -4.079
157 HA SER 23 HA SER 23 -5.036 6.616 -3.581
158 HB2 SER 23 1HB SER 23 -8.041 6.506 -3.426
159 HB3 SER 23 2HB SER 23 -7.142 7.839 -2.678
160 HG SER 23 HG SER 23 -7.165 7.062 -5.406
161 H ASN 24 H ASN 24 -6.633 4.214 -1.552
162 HA ASN 24 HA ASN 24 -5.815 5.540 0.932
163 HB2 ASN 24 1HB ASN 24 -7.802 4.008 0.733
164 HB3 ASN 24 2HB ASN 24 -6.680 2.662 0.485
165 HD21 ASN 24 1HD2 ASN 24 -6.890 1.516 2.351
166 HD22 ASN 24 2HD2 ASN 24 -6.629 2.197 3.959
167 H LEU 25 H LEU 25 -4.527 2.730 -1.011
168 HA LEU 25 HA LEU 25 -2.158 2.494 0.490
169 HB2 LEU 25 1HB LEU 25 -2.706 0.836 -1.199
170 HB3 LEU 25 2HB LEU 25 -2.549 2.019 -2.495
171 HG LEU 25 HG LEU 25 -0.181 2.208 -2.048
172 HD11 LEU 25 1HD1 LEU 25 -0.562 0.153 0.157
173 HD12 LEU 25 2HD1 LEU 25 -0.133 1.862 0.409
174 HD13 LEU 25 3HD1 LEU 25 0.999 0.793 -0.400
175 HD21 LEU 25 3HD2 LEU 25 -0.864 0.426 -3.564
176 HD22 LEU 25 1HD2 LEU 25 -0.924 -0.708 -2.186
177 HD23 LEU 25 2HD2 LEU 25 0.617 0.012 -2.685
178 H LYS 26 H LYS 26 -2.705 4.585 -2.317
179 HA LYS 26 HA LYS 26 -0.249 5.941 -2.555
180 HB2 LYS 26 1HB LYS 26 -2.183 6.272 -4.019
181 HB3 LYS 26 2HB LYS 26 -3.105 6.944 -2.679
182 HG2 LYS 26 1HG LYS 26 -1.435 8.907 -2.657
183 HG3 LYS 26 2HG LYS 26 -0.813 8.228 -4.173
184 HD2 LYS 26 1HD LYS 26 -2.436 9.795 -4.871
185 HD3 LYS 26 2HD LYS 26 -3.279 8.236 -4.965
186 HE2 LYS 26 1HE LYS 26 -4.224 8.738 -2.637
187 HE3 LYS 26 2HE LYS 26 -3.510 10.346 -2.778
188 HZ1 LYS 26 3HZ LYS 26 -4.876 10.634 -4.832
189 HZ2 LYS 26 1HZ LYS 26 -5.790 10.431 -3.498
190 HZ3 LYS 26 2HZ LYS 26 -5.616 9.195 -4.545
191 H ALA 27 H ALA 27 -2.834 6.591 -0.238
192 HA ALA 27 HA ALA 27 -1.550 8.849 1.057
193 HB1 ALA 27 1HB ALA 27 -3.785 7.030 2.054
194 HB2 ALA 27 2HB ALA 27 -3.345 8.619 2.709
195 HB3 ALA 27 3HB ALA 27 -3.997 8.492 1.062
196 H HIS 28 H HIS 28 -1.635 5.341 1.765
197 HA HIS 28 HA HIS 28 -0.057 5.428 4.175
198 HB2 HIS 28 1HB HIS 28 -1.450 3.578 3.778
199 HB3 HIS 28 2HB HIS 28 -0.777 3.284 2.184
200 HD1 HIS 28 1HD HIS 28 0.045 2.683 5.862
201 HD2 HIS 28 2HD HIS 28 1.572 2.031 2.000
202 HE1 HIS 28 1HE HIS 28 1.995 1.089 6.150
203 H MET 29 H MET 29 0.826 5.080 0.715
204 HA MET 29 HA MET 29 3.618 4.602 1.083
205 HB2 MET 29 1HB MET 29 2.226 5.976 -1.240
206 HB3 MET 29 2HB MET 29 3.834 5.271 -1.271
207 HG2 MET 29 1HG MET 29 1.814 3.282 -0.411
208 HG3 MET 29 2HG MET 29 1.390 4.064 -1.893
209 HE1 MET 29 3HE MET 29 5.002 3.128 -0.652
210 HE2 MET 29 1HE MET 29 3.850 1.899 -0.083
211 HE3 MET 29 2HE MET 29 5.081 1.468 -1.295
212 H ASN 30 H ASN 30 1.771 7.639 1.013
213 HA ASN 30 HA ASN 30 4.077 9.384 1.043
214 HB2 ASN 30 1HB ASN 30 1.127 9.731 1.613
215 HB3 ASN 30 2HB ASN 30 2.273 10.991 2.060
216 HD21 ASN 30 1HD2 ASN 30 1.081 9.129 -0.788
217 HD22 ASN 30 2HD2 ASN 30 1.594 10.372 -1.923
218 H ARG 31 H ARG 31 2.610 7.459 3.600
219 HA ARG 31 HA ARG 31 3.874 8.921 5.809
220 HB2 ARG 31 1HB ARG 31 2.928 6.030 5.797
221 HB3 ARG 31 2HB ARG 31 3.247 7.048 7.195
222 HG2 ARG 31 1HG ARG 31 1.370 8.551 6.567
223 HG3 ARG 31 2HG ARG 31 1.021 7.516 5.170
224 HD2 ARG 31 1HD ARG 31 0.655 5.590 6.706
225 HD3 ARG 31 2HD ARG 31 0.895 6.683 8.087
226 HE ARG 31 HE ARG 31 -1.105 7.779 6.363
227 HH11 ARG 31 2HH1 ARG 31 -0.785 5.133 8.641
228 HH12 ARG 31 1HH1 ARG 31 -2.494 5.096 8.977
229 HH21 ARG 31 2HH2 ARG 31 -3.271 7.686 6.852
230 HH22 ARG 31 1HH2 ARG 31 -3.857 6.509 7.987
231 H HIS 32 H HIS 32 4.835 6.275 3.674
232 HA HIS 32 HA HIS 32 7.358 5.763 5.060
233 HB2 HIS 32 1HB HIS 32 6.353 5.052 2.274
234 HB3 HIS 32 2HB HIS 32 7.921 4.590 2.905
235 HD1 HIS 32 1HD HIS 32 7.780 3.005 5.260
236 HD2 HIS 32 2HD HIS 32 4.567 3.189 2.557
237 HE1 HIS 32 1HE HIS 32 6.472 0.861 5.599
238 H SER 33 H SER 33 6.254 8.143 2.763
239 HA SER 33 HA SER 33 8.823 8.633 1.505
240 HB2 SER 33 1HB SER 33 6.194 10.147 1.355
241 HB3 SER 33 2HB SER 33 7.603 10.458 0.341
242 HG SER 33 HG SER 33 6.156 7.993 0.481
243 H THR 34 H THR 34 7.706 9.722 4.528
244 HA THR 34 HA THR 34 8.896 12.391 4.448
245 HB THR 34 HB THR 34 8.502 12.388 6.895
246 HG1 THR 34 1HG THR 34 7.320 10.667 7.758
247 HG21 THR 34 3HG2 THR 34 6.735 13.150 5.317
248 HG22 THR 34 1HG2 THR 34 6.065 12.437 6.794
249 HG23 THR 34 2HG2 THR 34 6.067 11.503 5.282
250 H GLU 35 H GLU 35 10.686 13.109 5.719
251 HA GLU 35 HA GLU 35 12.648 11.135 6.663
252 HB2 GLU 35 1HB GLU 35 13.071 11.388 4.210
253 HB3 GLU 35 2HB GLU 35 13.265 13.125 4.433
254 HG2 GLU 35 1HG GLU 35 15.419 12.027 4.202
255 HG3 GLU 35 2HG GLU 35 15.284 12.754 5.790
256 H LYS 36 H LYS 36 14.306 12.051 7.974
257 HA LYS 36 HA LYS 36 13.915 14.859 8.935
258 HB2 LYS 36 1HB LYS 36 14.096 12.368 10.678
259 HB3 LYS 36 2HB LYS 36 14.224 14.016 11.278
260 HG2 LYS 36 1HG LYS 36 11.757 12.846 9.911
261 HG3 LYS 36 2HG LYS 36 12.005 12.995 11.649
262 HD2 LYS 36 1HD LYS 36 12.152 15.481 11.424
263 HD3 LYS 36 2HD LYS 36 11.891 15.326 9.685
264 HE2 LYS 36 1HE LYS 36 9.799 15.922 10.618
265 HE3 LYS 36 2HE LYS 36 9.687 14.233 10.119
266 HZ1 LYS 36 3HZ LYS 36 8.731 14.609 12.331
267 HZ2 LYS 36 1HZ LYS 36 10.151 15.165 12.908
268 HZ3 LYS 36 2HZ LYS 36 10.003 13.599 12.457
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 7.707 -11.489 5.903
2 H2 GLY 1 2H GLY 1 6.649 -11.110 7.100
3 H3 GLY 1 3H GLY 1 6.241 -10.846 5.534
4 HA2 GLY 1 1HA GLY 1 6.648 -13.477 6.800
5 HA3 GLY 1 2HA GLY 1 5.091 -12.781 6.311
6 H SER 2 H SER 2 4.731 -14.636 4.960
7 HA SER 2 HA SER 2 6.505 -15.465 2.879
8 HB2 SER 2 1HB SER 2 3.500 -15.872 3.109
9 HB3 SER 2 2HB SER 2 4.610 -16.782 2.066
10 HG SER 2 HG SER 2 4.174 -17.877 4.047
11 H SER 3 H SER 3 6.535 -15.117 0.671
12 HA SER 3 HA SER 3 5.413 -12.597 -0.320
13 HB2 SER 3 1HB SER 3 6.760 -13.111 -2.340
14 HB3 SER 3 2HB SER 3 7.697 -13.045 -0.838
15 HG SER 3 HG SER 3 8.258 -14.862 -2.137
16 H GLY 4 H GLY 4 4.180 -12.364 -2.219
17 HA2 GLY 4 1HA GLY 4 2.507 -12.828 -3.738
18 HA3 GLY 4 2HA GLY 4 2.935 -14.531 -3.648
19 H SER 5 H SER 5 0.531 -14.550 -3.987
20 HA SER 5 HA SER 5 -1.606 -14.922 -3.334
21 HB2 SER 5 1HB SER 5 -0.223 -16.116 -0.917
22 HB3 SER 5 2HB SER 5 -1.863 -16.490 -1.480
23 HG SER 5 HG SER 5 -0.313 -18.013 -2.238
24 H SER 6 H SER 6 -0.884 -12.250 -2.706
25 HA SER 6 HA SER 6 -1.588 -11.364 -0.142
26 HB2 SER 6 1HB SER 6 -1.975 -9.897 -2.779
27 HB3 SER 6 2HB SER 6 -1.860 -9.160 -1.168
28 HG SER 6 HG SER 6 0.142 -9.165 -2.379
29 H GLY 7 H GLY 7 -3.444 -10.840 0.913
30 HA2 GLY 7 1HA GLY 7 -5.983 -11.879 0.059
31 HA3 GLY 7 2HA GLY 7 -5.672 -10.859 1.473
32 H LYS 8 H LYS 8 -4.522 -8.784 -0.474
33 HA LYS 8 HA LYS 8 -7.081 -7.518 -1.338
34 HB2 LYS 8 1HB LYS 8 -5.013 -6.501 0.633
35 HB3 LYS 8 2HB LYS 8 -6.124 -5.403 -0.189
36 HG2 LYS 8 1HG LYS 8 -8.065 -6.555 0.700
37 HG3 LYS 8 2HG LYS 8 -7.072 -7.806 1.446
38 HD2 LYS 8 1HD LYS 8 -6.883 -4.882 2.202
39 HD3 LYS 8 2HD LYS 8 -7.947 -6.058 3.001
40 HE2 LYS 8 1HE LYS 8 -6.072 -7.429 3.687
41 HE3 LYS 8 2HE LYS 8 -4.932 -6.418 2.792
42 HZ1 LYS 8 3HZ LYS 8 -6.568 -5.438 5.071
43 HZ2 LYS 8 1HZ LYS 8 -5.412 -4.589 4.262
44 HZ3 LYS 8 2HZ LYS 8 -4.999 -5.878 5.181
45 HA PRO 9 HA PRO 9 -5.102 -6.583 -5.012
46 HB2 PRO 9 1HB PRO 9 -6.208 -4.233 -5.876
47 HB3 PRO 9 2HB PRO 9 -7.091 -5.787 -5.765
48 HG2 PRO 9 1HG PRO 9 -6.972 -3.577 -3.691
49 HG3 PRO 9 2HG PRO 9 -8.442 -4.349 -4.385
50 HD2 PRO 9 1HD PRO 9 -7.438 -5.159 -2.026
51 HD3 PRO 9 2HD PRO 9 -7.976 -6.386 -3.212
52 H PHE 10 H PHE 10 -4.881 -3.684 -2.849
53 HA PHE 10 HA PHE 10 -2.374 -2.885 -4.279
54 HB2 PHE 10 1HB PHE 10 -4.172 -1.192 -2.557
55 HB3 PHE 10 2HB PHE 10 -2.804 -0.671 -3.512
56 HD1 PHE 10 1HD PHE 10 -2.787 -1.049 -6.034
57 HD2 PHE 10 2HD PHE 10 -6.347 -1.325 -3.626
58 HE1 PHE 10 1HE PHE 10 -4.168 -0.933 -8.077
59 HE2 PHE 10 2HE PHE 10 -7.744 -1.235 -5.680
60 HZ PHE 10 HZ PHE 10 -6.658 -1.003 -7.913
61 H LYS 11 H LYS 11 -1.079 -4.205 -3.439
62 HA LYS 11 HA LYS 11 -0.361 -4.231 -0.568
63 HB2 LYS 11 1HB LYS 11 -0.367 -6.337 -1.813
64 HB3 LYS 11 2HB LYS 11 0.714 -5.670 -3.029
65 HG2 LYS 11 1HG LYS 11 1.877 -7.203 -1.528
66 HG3 LYS 11 2HG LYS 11 2.561 -5.585 -1.435
67 HD2 LYS 11 1HD LYS 11 1.589 -5.222 0.735
68 HD3 LYS 11 2HD LYS 11 0.480 -6.594 0.535
69 HE2 LYS 11 1HE LYS 11 2.174 -7.270 2.053
70 HE3 LYS 11 2HE LYS 11 2.398 -8.159 0.549
71 HZ1 LYS 11 3HZ LYS 11 4.446 -7.267 1.556
72 HZ2 LYS 11 1HZ LYS 11 3.956 -5.725 1.274
73 HZ3 LYS 11 2HZ LYS 11 4.249 -6.725 0.005
74 H CYS 12 H CYS 12 0.919 -2.821 0.234
75 HA CYS 12 HA CYS 12 2.489 -0.814 -0.993
76 HB2 CYS 12 1HB CYS 12 1.721 -0.878 1.341
77 HB3 CYS 12 2HB CYS 12 2.761 -2.271 1.660
78 H SER 13 H SER 13 4.506 -0.754 -1.836
79 HA SER 13 HA SER 13 5.901 -3.255 -2.458
80 HB2 SER 13 1HB SER 13 7.389 -1.783 -3.779
81 HB3 SER 13 2HB SER 13 5.676 -1.596 -4.189
82 HG SER 13 HG SER 13 6.759 0.424 -3.963
83 H LEU 14 H LEU 14 5.925 -1.304 0.212
84 HA LEU 14 HA LEU 14 8.857 -1.553 0.781
85 HB2 LEU 14 1HB LEU 14 6.794 0.322 1.979
86 HB3 LEU 14 2HB LEU 14 8.527 0.413 2.173
87 HG LEU 14 HG LEU 14 7.127 0.781 -0.526
88 HD11 LEU 14 1HD1 LEU 14 7.568 3.160 -0.286
89 HD12 LEU 14 2HD1 LEU 14 8.173 2.886 1.370
90 HD13 LEU 14 3HD1 LEU 14 6.468 2.556 0.949
91 HD21 LEU 14 3HD2 LEU 14 9.288 1.740 -1.232
92 HD22 LEU 14 1HD2 LEU 14 9.473 0.056 -0.730
93 HD23 LEU 14 2HD2 LEU 14 9.983 1.364 0.363
94 H CYS 15 H CYS 15 5.627 -1.944 2.153
95 HA CYS 15 HA CYS 15 6.707 -3.769 4.239
96 HB2 CYS 15 1HB CYS 15 5.578 -2.735 5.973
97 HB3 CYS 15 2HB CYS 15 6.343 -1.425 5.100
98 H GLU 16 H GLU 16 4.555 -4.527 5.524
99 HA GLU 16 HA GLU 16 3.212 -6.220 3.522
100 HB2 GLU 16 1HB GLU 16 4.403 -6.813 5.940
101 HB3 GLU 16 2HB GLU 16 2.730 -6.648 6.427
102 HG2 GLU 16 1HG GLU 16 2.957 -8.933 5.904
103 HG3 GLU 16 2HG GLU 16 2.224 -8.296 4.435
104 H TYR 17 H TYR 17 2.466 -3.291 4.443
105 HA TYR 17 HA TYR 17 -0.340 -3.454 5.115
106 HB2 TYR 17 1HB TYR 17 1.006 -1.452 5.384
107 HB3 TYR 17 2HB TYR 17 1.339 -1.375 3.673
108 HD1 TYR 17 1HD TYR 17 -0.452 -0.688 2.060
109 HD2 TYR 17 2HD TYR 17 -1.117 -0.633 6.315
110 HE1 TYR 17 1HE TYR 17 -2.411 0.842 1.733
111 HE2 TYR 17 2HE TYR 17 -3.066 0.886 5.984
112 HH TYR 17 HH TYR 17 -4.349 2.030 4.482
113 H ALA 18 H ALA 18 -2.147 -3.690 3.904
114 HA ALA 18 HA ALA 18 -2.017 -3.174 1.065
115 HB1 ALA 18 1HB ALA 18 -2.940 -5.913 2.012
116 HB2 ALA 18 2HB ALA 18 -2.963 -5.307 0.326
117 HB3 ALA 18 3HB ALA 18 -1.420 -5.571 1.177
118 H THR 19 H THR 19 -3.973 -2.727 0.073
119 HA THR 19 HA THR 19 -6.425 -2.564 1.760
120 HB THR 19 HB THR 19 -5.145 -0.471 2.092
121 HG1 THR 19 1HG THR 19 -7.386 -0.413 2.129
122 HG21 THR 19 3HG2 THR 19 -5.465 -0.015 -0.881
123 HG22 THR 19 1HG2 THR 19 -3.943 -0.348 -0.019
124 HG23 THR 19 2HG2 THR 19 -4.854 1.112 0.348
125 H ARG 20 H ARG 20 -8.317 -1.818 0.536
126 HA ARG 20 HA ARG 20 -8.561 -3.198 -2.068
127 HB2 ARG 20 1HB ARG 20 -10.529 -2.088 -0.048
128 HB3 ARG 20 2HB ARG 20 -11.054 -2.630 -1.633
129 HG2 ARG 20 1HG ARG 20 -9.463 -4.431 0.237
130 HG3 ARG 20 2HG ARG 20 -11.217 -4.319 0.298
131 HD2 ARG 20 1HD ARG 20 -9.694 -5.080 -2.225
132 HD3 ARG 20 2HD ARG 20 -10.289 -6.255 -1.071
133 HE ARG 20 HE ARG 20 -11.845 -4.670 -2.999
134 HH11 ARG 20 2HH1 ARG 20 -12.143 -6.703 -0.152
135 HH12 ARG 20 1HH1 ARG 20 -13.823 -7.038 -0.467
136 HH21 ARG 20 1HH2 ARG 20 -13.981 -5.141 -3.327
137 HH22 ARG 20 2HH2 ARG 20 -14.828 -6.175 -2.214
138 H SER 21 H SER 21 -7.940 -0.004 -1.130
139 HA SER 21 HA SER 21 -8.897 1.012 -3.793
140 HB2 SER 21 1HB SER 21 -8.911 2.482 -1.135
141 HB3 SER 21 2HB SER 21 -9.369 3.167 -2.703
142 HG SER 21 HG SER 21 -11.100 1.711 -2.804
143 H LYS 22 H LYS 22 -7.344 1.772 -5.063
144 HA LYS 22 HA LYS 22 -4.620 1.920 -4.318
145 HB2 LYS 22 1HB LYS 22 -4.211 2.745 -6.530
146 HB3 LYS 22 2HB LYS 22 -5.471 1.534 -6.589
147 HG2 LYS 22 1HG LYS 22 -7.204 3.323 -6.779
148 HG3 LYS 22 2HG LYS 22 -5.927 4.544 -6.715
149 HD2 LYS 22 1HD LYS 22 -6.588 4.238 -9.000
150 HD3 LYS 22 2HD LYS 22 -4.937 3.638 -8.796
151 HE2 LYS 22 1HE LYS 22 -5.788 1.308 -8.700
152 HE3 LYS 22 2HE LYS 22 -7.451 1.900 -8.832
153 HZ1 LYS 22 3HZ LYS 22 -5.352 2.243 -10.912
154 HZ2 LYS 22 1HZ LYS 22 -6.888 2.785 -11.034
155 HZ3 LYS 22 2HZ LYS 22 -6.590 1.184 -10.989
156 H SER 23 H SER 23 -7.037 4.459 -4.260
157 HA SER 23 HA SER 23 -5.311 6.706 -3.767
158 HB2 SER 23 1HB SER 23 -7.453 7.733 -2.935
159 HB3 SER 23 2HB SER 23 -7.552 7.038 -4.564
160 HG SER 23 HG SER 23 -9.340 6.437 -3.226
161 H ASN 24 H ASN 24 -6.585 4.169 -1.659
162 HA ASN 24 HA ASN 24 -5.837 5.583 0.804
163 HB2 ASN 24 1HB ASN 24 -7.824 4.023 0.571
164 HB3 ASN 24 2HB ASN 24 -6.684 2.685 0.422
165 HD21 ASN 24 2HD2 ASN 24 -7.180 1.635 2.315
166 HD22 ASN 24 1HD2 ASN 24 -7.023 2.367 3.912
167 H LEU 25 H LEU 25 -4.541 2.766 -1.106
168 HA LEU 25 HA LEU 25 -2.192 2.496 0.424
169 HB2 LEU 25 1HB LEU 25 -2.705 0.857 -1.285
170 HB3 LEU 25 2HB LEU 25 -2.548 2.051 -2.571
171 HG LEU 25 HG LEU 25 -0.188 2.257 -2.097
172 HD11 LEU 25 1HD1 LEU 25 0.994 0.829 -0.465
173 HD12 LEU 25 2HD1 LEU 25 -0.565 0.159 0.063
174 HD13 LEU 25 3HD1 LEU 25 -0.162 1.867 0.357
175 HD21 LEU 25 3HD2 LEU 25 -0.875 -0.671 -2.270
176 HD22 LEU 25 1HD2 LEU 25 0.649 0.087 -2.760
177 HD23 LEU 25 2HD2 LEU 25 -0.843 0.475 -3.639
178 H LYS 26 H LYS 26 -2.710 4.638 -2.370
179 HA LYS 26 HA LYS 26 -0.247 5.986 -2.528
180 HB2 LYS 26 1HB LYS 26 -2.216 6.381 -3.993
181 HB3 LYS 26 2HB LYS 26 -3.065 7.132 -2.650
182 HG2 LYS 26 1HG LYS 26 -1.055 8.861 -2.654
183 HG3 LYS 26 2HG LYS 26 -0.719 8.177 -4.246
184 HD2 LYS 26 1HD LYS 26 -2.102 10.052 -4.643
185 HD3 LYS 26 2HD LYS 26 -3.191 8.656 -4.792
186 HE2 LYS 26 1HE LYS 26 -4.022 9.039 -2.493
187 HE3 LYS 26 2HE LYS 26 -2.870 10.363 -2.282
188 HZ1 LYS 26 3HZ LYS 26 -4.015 11.574 -4.050
189 HZ2 LYS 26 1HZ LYS 26 -5.077 11.189 -2.874
190 HZ3 LYS 26 2HZ LYS 26 -5.075 10.353 -4.278
191 H ALA 27 H ALA 27 -2.859 6.599 -0.235
192 HA ALA 27 HA ALA 27 -1.596 8.826 1.132
193 HB1 ALA 27 1HB ALA 27 -3.433 8.600 2.710
194 HB2 ALA 27 2HB ALA 27 -4.057 8.445 1.052
195 HB3 ALA 27 3HB ALA 27 -3.845 6.998 2.070
196 H HIS 28 H HIS 28 -1.614 5.312 1.678
197 HA HIS 28 HA HIS 28 -0.122 5.381 4.167
198 HB2 HIS 28 1HB HIS 28 -1.489 3.517 3.758
199 HB3 HIS 28 2HB HIS 28 -0.823 3.250 2.154
200 HD1 HIS 28 1HD HIS 28 0.066 2.664 5.829
201 HD2 HIS 28 2HD HIS 28 1.549 2.030 1.945
202 HE1 HIS 28 1HE HIS 28 2.084 1.149 6.096
203 H MET 29 H MET 29 0.799 5.045 0.714
204 HA MET 29 HA MET 29 3.571 4.530 1.106
205 HB2 MET 29 1HB MET 29 2.237 5.961 -1.217
206 HB3 MET 29 2HB MET 29 3.838 5.238 -1.228
207 HG2 MET 29 1HG MET 29 1.856 3.223 -0.417
208 HG3 MET 29 2HG MET 29 1.345 4.062 -1.837
209 HE1 MET 29 3HE MET 29 3.943 1.877 -0.248
210 HE2 MET 29 1HE MET 29 5.118 1.522 -1.537
211 HE3 MET 29 2HE MET 29 5.035 3.154 -0.826
212 H ASN 30 H ASN 30 1.791 7.605 1.007
213 HA ASN 30 HA ASN 30 4.022 9.383 1.110
214 HB2 ASN 30 1HB ASN 30 1.152 9.587 2.131
215 HB3 ASN 30 2HB ASN 30 2.294 10.923 2.201
216 HD21 ASN 30 1HD2 ASN 30 0.004 11.378 0.865
217 HD22 ASN 30 2HD2 ASN 30 0.338 11.436 -0.861
218 H ARG 31 H ARG 31 2.667 7.348 3.673
219 HA ARG 31 HA ARG 31 3.888 8.794 5.899
220 HB2 ARG 31 1HB ARG 31 2.977 5.892 5.847
221 HB3 ARG 31 2HB ARG 31 3.209 6.920 7.260
222 HG2 ARG 31 1HG ARG 31 1.335 8.379 6.550
223 HG3 ARG 31 2HG ARG 31 1.105 7.378 5.108
224 HD2 ARG 31 1HD ARG 31 0.707 5.399 6.607
225 HD3 ARG 31 2HD ARG 31 0.713 6.521 7.986
226 HE ARG 31 HE ARG 31 -1.096 7.484 5.989
227 HH11 ARG 31 2HH1 ARG 31 -0.958 4.896 8.348
228 HH12 ARG 31 1HH1 ARG 31 -2.692 4.749 8.423
229 HH21 ARG 31 2HH2 ARG 31 -3.300 7.266 6.159
230 HH22 ARG 31 1HH2 ARG 31 -3.977 6.062 7.214
231 H HIS 32 H HIS 32 5.000 6.307 3.699
232 HA HIS 32 HA HIS 32 7.416 5.671 5.213
233 HB2 HIS 32 1HB HIS 32 6.553 5.118 2.347
234 HB3 HIS 32 2HB HIS 32 8.086 4.602 3.025
235 HD1 HIS 32 1HD HIS 32 7.837 2.922 5.286
236 HD2 HIS 32 2HD HIS 32 4.683 3.286 2.529
237 HE1 HIS 32 1HE HIS 32 6.451 0.818 5.546
238 H SER 33 H SER 33 6.514 8.419 3.393
239 HA SER 33 HA SER 33 9.152 8.970 2.254
240 HB2 SER 33 1HB SER 33 6.868 9.426 1.183
241 HB3 SER 33 2HB SER 33 6.764 10.828 2.258
242 HG SER 33 HG SER 33 8.767 11.543 1.343
243 H THR 34 H THR 34 8.318 9.189 5.375
244 HA THR 34 HA THR 34 9.062 11.911 6.069
245 HB THR 34 HB THR 34 9.136 10.999 8.400
246 HG1 THR 34 1HG THR 34 8.271 8.859 8.613
247 HG21 THR 34 3HG2 THR 34 7.029 11.884 7.440
248 HG22 THR 34 1HG2 THR 34 6.737 10.568 8.587
249 HG23 THR 34 2HG2 THR 34 6.619 10.264 6.840
250 H GLU 35 H GLU 35 10.883 12.524 7.374
251 HA GLU 35 HA GLU 35 13.410 11.419 6.369
252 HB2 GLU 35 1HB GLU 35 12.820 13.836 8.112
253 HB3 GLU 35 2HB GLU 35 14.411 13.386 7.472
254 HG2 GLU 35 1HG GLU 35 13.523 13.561 5.152
255 HG3 GLU 35 2HG GLU 35 11.972 14.107 5.794
256 H LYS 36 H LYS 36 12.443 9.421 7.719
257 HA LYS 36 HA LYS 36 13.885 9.263 10.344
258 HB2 LYS 36 1HB LYS 36 11.120 8.182 9.661
259 HB3 LYS 36 2HB LYS 36 12.032 7.798 11.127
260 HG2 LYS 36 1HG LYS 36 12.067 10.215 11.735
261 HG3 LYS 36 2HG LYS 36 11.070 10.578 10.311
262 HD2 LYS 36 1HD LYS 36 9.293 9.076 11.169
263 HD3 LYS 36 2HD LYS 36 10.249 8.748 12.615
264 HE2 LYS 36 1HE LYS 36 9.266 11.509 11.751
265 HE3 LYS 36 2HE LYS 36 8.431 10.467 12.905
266 HZ1 LYS 36 3HZ LYS 36 9.811 12.069 14.060
267 HZ2 LYS 36 1HZ LYS 36 11.160 11.574 13.293
268 HZ3 LYS 36 2HZ LYS 36 10.399 10.576 14.342
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 -8.405 -28.246 -4.833
2 H2 GLY 1 2H GLY 1 -9.062 -28.826 -3.448
3 H3 GLY 1 3H GLY 1 -7.625 -28.041 -3.408
4 HA2 GLY 1 1HA GLY 1 -10.224 -26.836 -4.114
5 HA3 GLY 1 2HA GLY 1 -9.363 -26.602 -2.582
6 H SER 2 H SER 2 -9.397 -24.313 -3.018
7 HA SER 2 HA SER 2 -8.216 -23.091 -5.308
8 HB2 SER 2 1HB SER 2 -8.568 -21.957 -2.508
9 HB3 SER 2 2HB SER 2 -8.296 -21.028 -3.996
10 HG SER 2 HG SER 2 -10.527 -21.143 -3.436
11 H SER 3 H SER 3 -6.252 -21.965 -5.589
12 HA SER 3 HA SER 3 -3.907 -23.229 -4.448
13 HB2 SER 3 1HB SER 3 -2.697 -21.672 -5.963
14 HB3 SER 3 2HB SER 3 -3.948 -22.627 -6.774
15 HG SER 3 HG SER 3 -4.018 -20.400 -7.372
16 H GLY 4 H GLY 4 -5.701 -20.393 -3.553
17 HA2 GLY 4 1HA GLY 4 -4.305 -19.948 -1.134
18 HA3 GLY 4 2HA GLY 4 -3.675 -18.809 -2.329
19 H SER 5 H SER 5 -4.638 -17.455 -0.463
20 HA SER 5 HA SER 5 -7.509 -16.932 -0.487
21 HB2 SER 5 1HB SER 5 -6.111 -16.541 1.501
22 HB3 SER 5 2HB SER 5 -5.201 -15.295 0.626
23 HG SER 5 HG SER 5 -6.959 -14.514 1.986
24 H SER 6 H SER 6 -8.540 -15.000 -1.210
25 HA SER 6 HA SER 6 -7.612 -13.863 -3.736
26 HB2 SER 6 1HB SER 6 -9.663 -12.477 -3.529
27 HB3 SER 6 2HB SER 6 -9.970 -14.218 -3.411
28 HG SER 6 HG SER 6 -11.091 -13.038 -1.791
29 H GLY 7 H GLY 7 -7.356 -12.983 -0.349
30 HA2 GLY 7 1HA GLY 7 -6.196 -11.307 0.736
31 HA3 GLY 7 2HA GLY 7 -5.206 -11.247 -0.717
32 H LYS 8 H LYS 8 -4.854 -9.119 -0.886
33 HA LYS 8 HA LYS 8 -7.158 -7.318 -1.409
34 HB2 LYS 8 1HB LYS 8 -4.725 -6.751 0.310
35 HB3 LYS 8 2HB LYS 8 -5.788 -5.475 -0.298
36 HG2 LYS 8 1HG LYS 8 -7.717 -6.477 0.873
37 HG3 LYS 8 2HG LYS 8 -6.694 -7.802 1.453
38 HD2 LYS 8 1HD LYS 8 -5.250 -6.142 2.630
39 HD3 LYS 8 2HD LYS 8 -6.376 -4.856 2.123
40 HE2 LYS 8 1HE LYS 8 -8.211 -5.998 3.330
41 HE3 LYS 8 2HE LYS 8 -7.098 -7.293 3.800
42 HZ1 LYS 8 3HZ LYS 8 -7.354 -5.623 5.570
43 HZ2 LYS 8 1HZ LYS 8 -6.788 -4.439 4.594
44 HZ3 LYS 8 2HZ LYS 8 -5.807 -5.658 5.053
45 HA PRO 9 HA PRO 9 -5.234 -6.494 -5.194
46 HB2 PRO 9 1HB PRO 9 -6.232 -4.043 -5.898
47 HB3 PRO 9 2HB PRO 9 -7.208 -5.543 -5.822
48 HG2 PRO 9 1HG PRO 9 -6.863 -3.456 -3.641
49 HG3 PRO 9 2HG PRO 9 -8.405 -4.095 -4.315
50 HD2 PRO 9 1HD PRO 9 -7.350 -5.107 -2.043
51 HD3 PRO 9 2HD PRO 9 -8.019 -6.218 -3.288
52 H PHE 10 H PHE 10 -4.843 -3.756 -2.867
53 HA PHE 10 HA PHE 10 -2.309 -2.950 -4.254
54 HB2 PHE 10 1HB PHE 10 -4.086 -1.251 -2.510
55 HB3 PHE 10 2HB PHE 10 -2.732 -0.748 -3.488
56 HD1 PHE 10 1HD PHE 10 -2.802 -1.145 -6.034
57 HD2 PHE 10 2HD PHE 10 -6.281 -1.204 -3.496
58 HE1 PHE 10 1HE PHE 10 -4.245 -0.888 -8.019
59 HE2 PHE 10 2HE PHE 10 -7.743 -0.984 -5.496
60 HZ PHE 10 HZ PHE 10 -6.728 -0.806 -7.765
61 H LYS 11 H LYS 11 -1.036 -4.303 -3.389
62 HA LYS 11 HA LYS 11 -0.377 -4.278 -0.498
63 HB2 LYS 11 1HB LYS 11 -0.352 -6.407 -1.874
64 HB3 LYS 11 2HB LYS 11 0.940 -5.719 -2.835
65 HG2 LYS 11 1HG LYS 11 1.966 -7.198 -1.283
66 HG3 LYS 11 2HG LYS 11 2.352 -5.577 -0.711
67 HD2 LYS 11 1HD LYS 11 0.734 -5.737 1.053
68 HD3 LYS 11 2HD LYS 11 -0.021 -7.179 0.322
69 HE2 LYS 11 1HE LYS 11 2.174 -8.383 0.694
70 HE3 LYS 11 2HE LYS 11 2.727 -6.971 1.605
71 HZ1 LYS 11 3HZ LYS 11 0.357 -8.650 2.269
72 HZ2 LYS 11 1HZ LYS 11 0.806 -7.308 3.110
73 HZ3 LYS 11 2HZ LYS 11 1.784 -8.628 3.075
74 H CYS 12 H CYS 12 0.974 -2.914 0.287
75 HA CYS 12 HA CYS 12 2.423 -0.855 -0.956
76 HB2 CYS 12 1HB CYS 12 1.781 -0.962 1.390
77 HB3 CYS 12 2HB CYS 12 2.841 -2.352 1.657
78 H SER 13 H SER 13 4.396 -0.604 -1.800
79 HA SER 13 HA SER 13 5.894 -2.934 -2.714
80 HB2 SER 13 1HB SER 13 6.542 0.030 -2.948
81 HB3 SER 13 2HB SER 13 7.319 -1.290 -3.841
82 HG SER 13 HG SER 13 5.671 -0.280 -5.075
83 H LEU 14 H LEU 14 5.909 -1.357 0.213
84 HA LEU 14 HA LEU 14 8.855 -1.669 0.715
85 HB2 LEU 14 1HB LEU 14 6.853 0.226 1.992
86 HB3 LEU 14 2HB LEU 14 8.584 0.229 2.235
87 HG LEU 14 HG LEU 14 7.251 0.783 -0.456
88 HD11 LEU 14 1HD1 LEU 14 7.715 3.151 -0.062
89 HD12 LEU 14 2HD1 LEU 14 8.247 2.771 1.599
90 HD13 LEU 14 3HD1 LEU 14 6.562 2.484 1.090
91 HD21 LEU 14 3HD2 LEU 14 9.429 1.739 -1.069
92 HD22 LEU 14 1HD2 LEU 14 9.572 0.027 -0.645
93 HD23 LEU 14 2HD2 LEU 14 10.087 1.271 0.520
94 H CYS 15 H CYS 15 5.631 -2.049 2.081
95 HA CYS 15 HA CYS 15 6.690 -3.920 4.152
96 HB2 CYS 15 1HB CYS 15 5.682 -2.820 5.925
97 HB3 CYS 15 2HB CYS 15 6.441 -1.552 4.988
98 H GLU 16 H GLU 16 4.578 -4.531 5.548
99 HA GLU 16 HA GLU 16 3.170 -6.445 3.832
100 HB2 GLU 16 1HB GLU 16 4.272 -6.719 6.256
101 HB3 GLU 16 2HB GLU 16 2.796 -5.959 6.820
102 HG2 GLU 16 1HG GLU 16 2.491 -8.259 7.136
103 HG3 GLU 16 2HG GLU 16 1.525 -7.905 5.716
104 H TYR 17 H TYR 17 2.480 -3.291 4.575
105 HA TYR 17 HA TYR 17 -0.313 -3.375 5.173
106 HB2 TYR 17 1HB TYR 17 1.127 -1.443 5.395
107 HB3 TYR 17 2HB TYR 17 1.408 -1.377 3.680
108 HD1 TYR 17 1HD TYR 17 -0.370 -0.668 2.097
109 HD2 TYR 17 2HD TYR 17 -0.976 -0.517 6.359
110 HE1 TYR 17 1HE TYR 17 -2.282 0.911 1.765
111 HE2 TYR 17 2HE TYR 17 -2.891 1.045 6.022
112 HH TYR 17 HH TYR 17 -4.191 2.171 4.511
113 H ALA 18 H ALA 18 -2.122 -3.604 3.977
114 HA ALA 18 HA ALA 18 -2.007 -3.138 1.134
115 HB1 ALA 18 1HB ALA 18 -2.993 -5.855 2.087
116 HB2 ALA 18 2HB ALA 18 -2.896 -5.267 0.396
117 HB3 ALA 18 3HB ALA 18 -1.418 -5.562 1.348
118 H THR 19 H THR 19 -3.962 -2.720 0.150
119 HA THR 19 HA THR 19 -6.399 -2.463 1.850
120 HB THR 19 HB THR 19 -5.083 -0.408 2.129
121 HG1 THR 19 1HG THR 19 -7.192 -0.066 2.229
122 HG21 THR 19 3HG2 THR 19 -5.365 0.038 -0.855
123 HG22 THR 19 1HG2 THR 19 -3.866 -0.456 -0.036
124 HG23 THR 19 2HG2 THR 19 -4.598 1.079 0.369
125 H ARG 20 H ARG 20 -8.290 -1.772 0.626
126 HA ARG 20 HA ARG 20 -8.507 -3.226 -1.946
127 HB2 ARG 20 1HB ARG 20 -10.518 -2.243 0.088
128 HB3 ARG 20 2HB ARG 20 -11.019 -2.854 -1.482
129 HG2 ARG 20 1HG ARG 20 -9.251 -4.516 0.353
130 HG3 ARG 20 2HG ARG 20 -11.007 -4.495 0.509
131 HD2 ARG 20 1HD ARG 20 -11.296 -5.321 -1.777
132 HD3 ARG 20 2HD ARG 20 -9.578 -5.206 -2.087
133 HE ARG 20 HE ARG 20 -9.214 -7.215 -0.987
134 HH11 ARG 20 2HH1 ARG 20 -12.496 -6.268 -0.192
135 HH12 ARG 20 1HH1 ARG 20 -12.842 -7.819 0.523
136 HH21 ARG 20 2HH2 ARG 20 -9.706 -9.122 -0.095
137 HH22 ARG 20 1HH2 ARG 20 -11.297 -9.396 0.574
138 H SER 21 H SER 21 -7.981 -0.018 -1.106
139 HA SER 21 HA SER 21 -8.969 0.890 -3.791
140 HB2 SER 21 1HB SER 21 -9.109 2.464 -1.196
141 HB3 SER 21 2HB SER 21 -9.537 3.060 -2.808
142 HG SER 21 HG SER 21 -11.381 2.338 -1.639
143 H LYS 22 H LYS 22 -7.462 1.847 -5.028
144 HA LYS 22 HA LYS 22 -4.745 1.953 -4.254
145 HB2 LYS 22 1HB LYS 22 -4.314 2.955 -6.404
146 HB3 LYS 22 2HB LYS 22 -5.507 1.681 -6.551
147 HG2 LYS 22 1HG LYS 22 -7.329 3.391 -6.678
148 HG3 LYS 22 2HG LYS 22 -6.118 4.669 -6.514
149 HD2 LYS 22 1HD LYS 22 -6.720 4.462 -8.830
150 HD3 LYS 22 2HD LYS 22 -5.044 3.935 -8.627
151 HE2 LYS 22 1HE LYS 22 -5.780 1.562 -8.673
152 HE3 LYS 22 2HE LYS 22 -7.467 2.079 -8.811
153 HZ1 LYS 22 3HZ LYS 22 -6.528 1.524 -10.982
154 HZ2 LYS 22 1HZ LYS 22 -5.346 2.637 -10.821
155 HZ3 LYS 22 2HZ LYS 22 -6.905 3.110 -10.948
156 H SER 23 H SER 23 -7.159 4.460 -3.964
157 HA SER 23 HA SER 23 -5.468 6.719 -3.480
158 HB2 SER 23 1HB SER 23 -7.549 7.601 -2.347
159 HB3 SER 23 2HB SER 23 -7.775 7.039 -4.014
160 HG SER 23 HG SER 23 -9.413 6.265 -2.575
161 H ASN 24 H ASN 24 -6.665 4.142 -1.316
162 HA ASN 24 HA ASN 24 -5.697 5.355 1.143
163 HB2 ASN 24 1HB ASN 24 -6.388 2.486 0.402
164 HB3 ASN 24 2HB ASN 24 -5.957 3.003 2.023
165 HD21 ASN 24 1HD2 ASN 24 -8.303 1.689 1.415
166 HD22 ASN 24 2HD2 ASN 24 -9.646 2.792 1.736
167 H LEU 25 H LEU 25 -4.361 2.785 -1.042
168 HA LEU 25 HA LEU 25 -1.946 2.559 0.403
169 HB2 LEU 25 1HB LEU 25 -2.584 0.849 -1.200
170 HB3 LEU 25 2HB LEU 25 -2.443 1.978 -2.546
171 HG LEU 25 HG LEU 25 -0.063 2.163 -2.148
172 HD11 LEU 25 1HD1 LEU 25 -0.366 0.094 0.059
173 HD12 LEU 25 2HD1 LEU 25 0.010 1.814 0.328
174 HD13 LEU 25 3HD1 LEU 25 1.156 0.803 -0.519
175 HD21 LEU 25 3HD2 LEU 25 0.705 -0.049 -2.772
176 HD22 LEU 25 1HD2 LEU 25 -0.790 0.367 -3.626
177 HD23 LEU 25 2HD2 LEU 25 -0.830 -0.750 -2.233
178 H LYS 26 H LYS 26 -2.673 4.609 -2.398
179 HA LYS 26 HA LYS 26 -0.176 5.888 -2.727
180 HB2 LYS 26 1HB LYS 26 -2.102 6.151 -4.212
181 HB3 LYS 26 2HB LYS 26 -2.982 7.061 -2.992
182 HG2 LYS 26 1HG LYS 26 -0.274 8.038 -3.944
183 HG3 LYS 26 2HG LYS 26 -1.654 8.221 -5.005
184 HD2 LYS 26 1HD LYS 26 -1.446 9.407 -2.203
185 HD3 LYS 26 2HD LYS 26 -1.169 10.269 -3.701
186 HE2 LYS 26 1HE LYS 26 -3.824 8.981 -2.910
187 HE3 LYS 26 2HE LYS 26 -3.405 10.671 -2.650
188 HZ1 LYS 26 3HZ LYS 26 -3.581 9.379 -5.322
189 HZ2 LYS 26 1HZ LYS 26 -3.160 10.936 -5.058
190 HZ3 LYS 26 2HZ LYS 26 -4.662 10.425 -4.693
191 H ALA 27 H ALA 27 -2.620 6.543 -0.243
192 HA ALA 27 HA ALA 27 -1.209 8.858 0.851
193 HB1 ALA 27 1HB ALA 27 -3.414 7.112 2.040
194 HB2 ALA 27 2HB ALA 27 -2.886 8.696 2.641
195 HB3 ALA 27 3HB ALA 27 -3.666 8.568 1.050
196 H HIS 28 H HIS 28 -1.427 5.365 1.664
197 HA HIS 28 HA HIS 28 0.213 5.428 4.014
198 HB2 HIS 28 1HB HIS 28 -1.268 3.627 3.625
199 HB3 HIS 28 2HB HIS 28 -0.582 3.288 2.039
200 HD1 HIS 28 1HD HIS 28 0.242 2.797 5.750
201 HD2 HIS 28 2HD HIS 28 1.713 1.969 1.900
202 HE1 HIS 28 1HE HIS 28 2.185 1.208 6.087
203 H MET 29 H MET 29 1.023 5.064 0.559
204 HA MET 29 HA MET 29 3.838 4.592 0.877
205 HB2 MET 29 1HB MET 29 2.325 5.857 -1.428
206 HB3 MET 29 2HB MET 29 3.960 5.211 -1.508
207 HG2 MET 29 1HG MET 29 1.988 3.215 -0.506
208 HG3 MET 29 2HG MET 29 1.582 3.895 -2.036
209 HE1 MET 29 3HE MET 29 4.131 1.991 -0.067
210 HE2 MET 29 1HE MET 29 5.323 1.435 -1.271
211 HE3 MET 29 2HE MET 29 5.254 3.156 -0.807
212 H ASN 30 H ASN 30 1.951 7.544 1.118
213 HA ASN 30 HA ASN 30 4.351 9.280 1.108
214 HB2 ASN 30 1HB ASN 30 1.370 9.781 1.384
215 HB3 ASN 30 2HB ASN 30 2.554 10.995 1.848
216 HD21 ASN 30 1HD2 ASN 30 1.355 9.098 -0.960
217 HD22 ASN 30 2HD2 ASN 30 2.025 10.229 -2.124
218 H ARG 31 H ARG 31 2.157 7.778 3.526
219 HA ARG 31 HA ARG 31 3.310 8.977 5.870
220 HB2 ARG 31 1HB ARG 31 2.176 6.166 5.546
221 HB3 ARG 31 2HB ARG 31 2.522 6.957 7.075
222 HG2 ARG 31 1HG ARG 31 0.860 8.711 6.628
223 HG3 ARG 31 2HG ARG 31 0.474 7.967 5.069
224 HD2 ARG 31 1HD ARG 31 -0.162 5.857 6.271
225 HD3 ARG 31 2HD ARG 31 0.123 6.695 7.810
226 HE ARG 31 HE ARG 31 -1.673 8.264 6.251
227 HH11 ARG 31 2HH1 ARG 31 -1.741 5.233 8.010
228 HH12 ARG 31 1HH1 ARG 31 -3.461 5.318 8.267
229 HH21 ARG 31 2HH2 ARG 31 -3.861 8.312 6.625
230 HH22 ARG 31 1HH2 ARG 31 -4.623 7.020 7.504
231 H HIS 32 H HIS 32 4.568 6.419 3.821
232 HA HIS 32 HA HIS 32 6.635 5.517 5.570
233 HB2 HIS 32 1HB HIS 32 6.112 5.385 2.606
234 HB3 HIS 32 2HB HIS 32 7.731 5.027 3.174
235 HD1 HIS 32 1HD HIS 32 7.883 3.039 5.138
236 HD2 HIS 32 2HD HIS 32 4.493 3.296 2.660
237 HE1 HIS 32 1HE HIS 32 6.790 0.754 5.235
238 H SER 33 H SER 33 6.391 8.585 3.939
239 HA SER 33 HA SER 33 9.289 9.138 4.052
240 HB2 SER 33 1HB SER 33 7.833 10.096 2.268
241 HB3 SER 33 2HB SER 33 6.989 11.043 3.512
242 HG SER 33 HG SER 33 8.728 12.200 2.505
243 H THR 34 H THR 34 10.306 9.882 5.807
244 HA THR 34 HA THR 34 8.831 11.164 8.059
245 HB THR 34 HB THR 34 10.033 9.705 9.658
246 HG1 THR 34 1HG THR 34 10.958 7.800 8.886
247 HG21 THR 34 3HG2 THR 34 7.698 9.150 8.970
248 HG22 THR 34 1HG2 THR 34 8.648 7.739 9.458
249 HG23 THR 34 2HG2 THR 34 8.349 8.050 7.735
250 H GLU 35 H GLU 35 10.240 12.087 9.706
251 HA GLU 35 HA GLU 35 12.975 12.858 8.800
252 HB2 GLU 35 1HB GLU 35 10.836 14.684 9.962
253 HB3 GLU 35 2HB GLU 35 12.529 15.127 9.813
254 HG2 GLU 35 1HG GLU 35 10.652 14.461 7.503
255 HG3 GLU 35 2HG GLU 35 11.132 16.071 8.016
256 H LYS 36 H LYS 36 14.449 13.336 10.462
257 HA LYS 36 HA LYS 36 13.783 12.766 13.265
258 HB2 LYS 36 1HB LYS 36 15.438 10.996 13.515
259 HB3 LYS 36 2HB LYS 36 14.164 10.524 12.395
260 HG2 LYS 36 1HG LYS 36 15.684 11.021 10.470
261 HG3 LYS 36 2HG LYS 36 16.967 11.457 11.619
262 HD2 LYS 36 1HD LYS 36 16.899 9.166 12.564
263 HD3 LYS 36 2HD LYS 36 15.610 8.732 11.418
264 HE2 LYS 36 1HE LYS 36 17.130 9.248 9.519
265 HE3 LYS 36 2HE LYS 36 18.412 9.676 10.660
266 HZ1 LYS 36 3HZ LYS 36 17.179 6.982 10.420
267 HZ2 LYS 36 1HZ LYS 36 18.365 7.377 11.474
268 HZ3 LYS 36 2HZ LYS 36 18.658 7.394 9.870
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 -1.349 -17.190 9.097
2 H2 GLY 1 2H GLY 1 -2.017 -18.656 8.797
3 H3 GLY 1 3H GLY 1 -2.523 -17.777 10.081
4 HA2 GLY 1 1HA GLY 1 -3.432 -16.075 8.645
5 HA3 GLY 1 2HA GLY 1 -2.878 -17.021 7.251
6 H SER 2 H SER 2 -5.491 -16.336 7.359
7 HA SER 2 HA SER 2 -6.925 -18.905 7.867
8 HB2 SER 2 1HB SER 2 -7.934 -16.155 8.697
9 HB3 SER 2 2HB SER 2 -8.830 -17.677 8.822
10 HG SER 2 HG SER 2 -7.248 -18.424 10.299
11 H SER 3 H SER 3 -8.647 -19.340 6.529
12 HA SER 3 HA SER 3 -8.444 -18.302 3.886
13 HB2 SER 3 1HB SER 3 -10.559 -20.154 5.036
14 HB3 SER 3 2HB SER 3 -10.123 -19.968 3.326
15 HG SER 3 HG SER 3 -9.096 -21.785 4.286
16 H GLY 4 H GLY 4 -10.234 -16.927 6.393
17 HA2 GLY 4 1HA GLY 4 -12.667 -16.191 5.049
18 HA3 GLY 4 2HA GLY 4 -12.015 -15.483 6.526
19 H SER 5 H SER 5 -9.484 -14.887 4.641
20 HA SER 5 HA SER 5 -10.255 -12.147 4.011
21 HB2 SER 5 1HB SER 5 -7.996 -12.695 4.784
22 HB3 SER 5 2HB SER 5 -7.731 -13.691 3.342
23 HG SER 5 HG SER 5 -6.858 -11.641 3.056
24 H SER 6 H SER 6 -10.886 -11.286 2.132
25 HA SER 6 HA SER 6 -11.232 -12.896 -0.304
26 HB2 SER 6 1HB SER 6 -11.769 -9.942 0.158
27 HB3 SER 6 2HB SER 6 -12.347 -10.927 -1.197
28 HG SER 6 HG SER 6 -13.580 -12.152 0.283
29 H GLY 7 H GLY 7 -8.474 -11.850 0.872
30 HA2 GLY 7 1HA GLY 7 -6.412 -11.288 -0.025
31 HA3 GLY 7 2HA GLY 7 -7.113 -11.258 -1.645
32 H LYS 8 H LYS 8 -5.396 -9.360 -1.381
33 HA LYS 8 HA LYS 8 -7.059 -6.927 -1.294
34 HB2 LYS 8 1HB LYS 8 -4.376 -7.111 0.122
35 HB3 LYS 8 2HB LYS 8 -5.171 -5.603 -0.328
36 HG2 LYS 8 1HG LYS 8 -5.950 -5.712 1.785
37 HG3 LYS 8 2HG LYS 8 -7.233 -6.610 0.998
38 HD2 LYS 8 1HD LYS 8 -5.779 -8.749 1.646
39 HD3 LYS 8 2HD LYS 8 -4.893 -7.620 2.661
40 HE2 LYS 8 1HE LYS 8 -6.484 -8.463 4.146
41 HE3 LYS 8 2HE LYS 8 -7.198 -6.934 3.626
42 HZ1 LYS 8 3HZ LYS 8 -7.954 -9.680 2.787
43 HZ2 LYS 8 1HZ LYS 8 -8.418 -8.384 1.900
44 HZ3 LYS 8 2HZ LYS 8 -8.904 -8.544 3.463
45 HA PRO 9 HA PRO 9 -5.070 -6.522 -5.218
46 HB2 PRO 9 1HB PRO 9 -6.055 -4.124 -6.067
47 HB3 PRO 9 2HB PRO 9 -7.057 -5.603 -5.912
48 HG2 PRO 9 1HG PRO 9 -6.692 -3.401 -3.843
49 HG3 PRO 9 2HG PRO 9 -8.242 -4.048 -4.496
50 HD2 PRO 9 1HD PRO 9 -7.128 -4.903 -2.179
51 HD3 PRO 9 2HD PRO 9 -7.941 -6.068 -3.284
52 H PHE 10 H PHE 10 -4.816 -3.714 -2.965
53 HA PHE 10 HA PHE 10 -2.249 -2.881 -4.262
54 HB2 PHE 10 1HB PHE 10 -4.138 -1.212 -2.608
55 HB3 PHE 10 2HB PHE 10 -2.739 -0.672 -3.501
56 HD1 PHE 10 1HD PHE 10 -2.646 -1.203 -6.056
57 HD2 PHE 10 2HD PHE 10 -6.262 -1.110 -3.721
58 HE1 PHE 10 1HE PHE 10 -3.971 -1.059 -8.129
59 HE2 PHE 10 2HE PHE 10 -7.607 -0.975 -5.806
60 HZ PHE 10 HZ PHE 10 -6.468 -0.950 -8.022
61 H LYS 11 H LYS 11 -0.980 -4.185 -3.350
62 HA LYS 11 HA LYS 11 -0.466 -4.170 -0.422
63 HB2 LYS 11 1HB LYS 11 -0.679 -6.289 -1.804
64 HB3 LYS 11 2HB LYS 11 0.799 -5.839 -2.635
65 HG2 LYS 11 1HG LYS 11 0.500 -6.487 0.335
66 HG3 LYS 11 2HG LYS 11 1.147 -7.541 -0.923
67 HD2 LYS 11 1HD LYS 11 2.905 -5.675 -1.327
68 HD3 LYS 11 2HD LYS 11 2.371 -5.047 0.255
69 HE2 LYS 11 1HE LYS 11 2.923 -7.208 1.304
70 HE3 LYS 11 2HE LYS 11 3.452 -7.842 -0.265
71 HZ1 LYS 11 3HZ LYS 11 5.131 -6.058 -0.321
72 HZ2 LYS 11 1HZ LYS 11 5.341 -6.983 1.018
73 HZ3 LYS 11 2HZ LYS 11 4.635 -5.500 1.129
74 H CYS 12 H CYS 12 0.906 -2.816 0.344
75 HA CYS 12 HA CYS 12 2.394 -0.817 -0.896
76 HB2 CYS 12 1HB CYS 12 1.713 -0.918 1.449
77 HB3 CYS 12 2HB CYS 12 2.811 -2.275 1.737
78 H SER 13 H SER 13 4.281 -0.655 -1.920
79 HA SER 13 HA SER 13 5.843 -2.965 -2.648
80 HB2 SER 13 1HB SER 13 6.521 -0.016 -2.968
81 HB3 SER 13 2HB SER 13 7.254 -1.373 -3.843
82 HG SER 13 HG SER 13 5.612 -0.361 -5.077
83 H LEU 14 H LEU 14 5.849 -1.327 0.240
84 HA LEU 14 HA LEU 14 8.798 -1.583 0.740
85 HB2 LEU 14 1HB LEU 14 6.791 0.330 1.980
86 HB3 LEU 14 2HB LEU 14 8.527 0.371 2.167
87 HG LEU 14 HG LEU 14 7.106 0.809 -0.510
88 HD11 LEU 14 1HD1 LEU 14 6.488 2.572 0.985
89 HD12 LEU 14 2HD1 LEU 14 7.606 3.181 -0.235
90 HD13 LEU 14 3HD1 LEU 14 8.198 2.859 1.417
91 HD21 LEU 14 3HD2 LEU 14 9.979 1.332 0.352
92 HD22 LEU 14 1HD2 LEU 14 9.271 1.730 -1.232
93 HD23 LEU 14 2HD2 LEU 14 9.436 0.039 -0.742
94 H CYS 15 H CYS 15 5.582 -1.927 2.173
95 HA CYS 15 HA CYS 15 6.696 -3.750 4.259
96 HB2 CYS 15 1HB CYS 15 5.658 -2.649 6.007
97 HB3 CYS 15 2HB CYS 15 6.353 -1.372 5.042
98 H GLU 16 H GLU 16 4.560 -4.477 5.626
99 HA GLU 16 HA GLU 16 3.186 -6.270 3.724
100 HB2 GLU 16 1HB GLU 16 4.441 -6.947 5.904
101 HB3 GLU 16 2HB GLU 16 2.995 -6.387 6.748
102 HG2 GLU 16 1HG GLU 16 1.643 -8.079 5.529
103 HG3 GLU 16 2HG GLU 16 3.047 -8.517 4.556
104 H TYR 17 H TYR 17 2.471 -3.268 4.546
105 HA TYR 17 HA TYR 17 -0.344 -3.418 5.199
106 HB2 TYR 17 1HB TYR 17 1.046 -1.428 5.455
107 HB3 TYR 17 2HB TYR 17 1.317 -1.343 3.734
108 HD1 TYR 17 1HD TYR 17 -0.497 -0.581 2.204
109 HD2 TYR 17 2HD TYR 17 -1.075 -0.711 6.471
110 HE1 TYR 17 1HE TYR 17 -2.441 0.990 1.976
111 HE2 TYR 17 2HE TYR 17 -3.025 0.833 6.243
112 HH TYR 17 HH TYR 17 -4.057 2.167 3.101
113 H ALA 18 H ALA 18 -2.143 -3.589 3.962
114 HA ALA 18 HA ALA 18 -1.984 -3.114 1.127
115 HB1 ALA 18 1HB ALA 18 -3.012 -5.833 2.023
116 HB2 ALA 18 2HB ALA 18 -2.862 -5.220 0.349
117 HB3 ALA 18 3HB ALA 18 -1.407 -5.557 1.324
118 H THR 19 H THR 19 -3.980 -2.767 0.102
119 HA THR 19 HA THR 19 -6.434 -2.590 1.775
120 HB THR 19 HB THR 19 -5.242 -0.459 2.112
121 HG1 THR 19 1HG THR 19 -7.504 -0.426 1.963
122 HG21 THR 19 3HG2 THR 19 -4.873 1.094 0.335
123 HG22 THR 19 1HG2 THR 19 -5.354 -0.096 -0.890
124 HG23 THR 19 2HG2 THR 19 -3.895 -0.350 0.100
125 H ARG 20 H ARG 20 -8.350 -2.053 0.559
126 HA ARG 20 HA ARG 20 -8.484 -3.324 -2.098
127 HB2 ARG 20 1HB ARG 20 -10.665 -2.174 -0.338
128 HB3 ARG 20 2HB ARG 20 -10.919 -3.086 -1.817
129 HG2 ARG 20 1HG ARG 20 -9.671 -4.156 0.750
130 HG3 ARG 20 2HG ARG 20 -11.312 -4.444 0.202
131 HD2 ARG 20 1HD ARG 20 -8.811 -5.414 -1.250
132 HD3 ARG 20 2HD ARG 20 -9.789 -6.366 -0.145
133 HE ARG 20 HE ARG 20 -11.290 -5.203 -2.381
134 HH11 ARG 20 2HH1 ARG 20 -9.541 -8.076 -1.318
135 HH12 ARG 20 1HH1 ARG 20 -10.274 -9.074 -2.532
136 HH21 ARG 20 2HH2 ARG 20 -12.187 -6.554 -3.904
137 HH22 ARG 20 1HH2 ARG 20 -11.727 -8.230 -3.955
138 H SER 21 H SER 21 -7.927 -0.146 -1.076
139 HA SER 21 HA SER 21 -8.943 0.947 -3.688
140 HB2 SER 21 1HB SER 21 -8.926 2.278 -0.962
141 HB3 SER 21 2HB SER 21 -9.385 3.054 -2.492
142 HG SER 21 HG SER 21 -11.208 2.252 -1.336
143 H LYS 22 H LYS 22 -7.447 1.780 -4.980
144 HA LYS 22 HA LYS 22 -4.694 1.890 -4.391
145 HB2 LYS 22 1HB LYS 22 -5.782 1.735 -6.648
146 HB3 LYS 22 2HB LYS 22 -6.179 3.452 -6.551
147 HG2 LYS 22 1HG LYS 22 -3.722 3.964 -6.337
148 HG3 LYS 22 2HG LYS 22 -3.370 2.240 -6.516
149 HD2 LYS 22 1HD LYS 22 -4.781 3.992 -8.582
150 HD3 LYS 22 2HD LYS 22 -3.063 3.567 -8.603
151 HE2 LYS 22 1HE LYS 22 -3.649 1.161 -8.768
152 HE3 LYS 22 2HE LYS 22 -5.369 1.575 -8.776
153 HZ1 LYS 22 3HZ LYS 22 -4.528 1.264 -11.032
154 HZ2 LYS 22 1HZ LYS 22 -3.403 2.429 -10.836
155 HZ3 LYS 22 2HZ LYS 22 -4.991 2.815 -10.843
156 H SER 23 H SER 23 -7.036 4.582 -4.360
157 HA SER 23 HA SER 23 -5.221 6.665 -3.712
158 HB2 SER 23 1HB SER 23 -8.170 6.400 -3.007
159 HB3 SER 23 2HB SER 23 -7.223 7.902 -2.981
160 HG SER 23 HG SER 23 -8.394 7.613 -4.958
161 H ASN 24 H ASN 24 -6.522 4.150 -1.626
162 HA ASN 24 HA ASN 24 -5.800 5.575 0.849
163 HB2 ASN 24 1HB ASN 24 -7.798 4.055 0.673
164 HB3 ASN 24 2HB ASN 24 -6.693 2.697 0.430
165 HD21 ASN 24 1HD2 ASN 24 -6.922 1.555 2.289
166 HD22 ASN 24 2HD2 ASN 24 -6.648 2.228 3.897
167 H LEU 25 H LEU 25 -4.505 2.762 -1.076
168 HA LEU 25 HA LEU 25 -2.157 2.502 0.478
169 HB2 LEU 25 1HB LEU 25 -2.664 0.824 -1.199
170 HB3 LEU 25 2HB LEU 25 -2.526 1.997 -2.506
171 HG LEU 25 HG LEU 25 -0.163 2.230 -2.055
172 HD11 LEU 25 1HD1 LEU 25 1.040 0.854 -0.402
173 HD12 LEU 25 2HD1 LEU 25 -0.505 0.160 0.142
174 HD13 LEU 25 3HD1 LEU 25 -0.128 1.879 0.410
175 HD21 LEU 25 3HD2 LEU 25 -0.798 0.428 -3.571
176 HD22 LEU 25 1HD2 LEU 25 -0.839 -0.703 -2.188
177 HD23 LEU 25 2HD2 LEU 25 0.687 0.052 -2.682
178 H LYS 26 H LYS 26 -2.709 4.583 -2.322
179 HA LYS 26 HA LYS 26 -0.254 5.946 -2.579
180 HB2 LYS 26 1HB LYS 26 -2.259 6.272 -4.002
181 HB3 LYS 26 2HB LYS 26 -3.092 7.037 -2.656
182 HG2 LYS 26 1HG LYS 26 -1.199 8.842 -2.734
183 HG3 LYS 26 2HG LYS 26 -0.771 8.102 -4.282
184 HD2 LYS 26 1HD LYS 26 -2.236 9.871 -4.831
185 HD3 LYS 26 2HD LYS 26 -3.249 8.412 -4.922
186 HE2 LYS 26 1HE LYS 26 -4.138 8.898 -2.648
187 HE3 LYS 26 2HE LYS 26 -3.096 10.322 -2.542
188 HZ1 LYS 26 3HZ LYS 26 -5.262 9.958 -4.550
189 HZ2 LYS 26 1HZ LYS 26 -4.300 11.272 -4.431
190 HZ3 LYS 26 2HZ LYS 26 -5.347 10.920 -3.233
191 H ALA 27 H ALA 27 -2.819 6.603 -0.255
192 HA ALA 27 HA ALA 27 -1.517 8.849 1.049
193 HB1 ALA 27 1HB ALA 27 -3.338 8.655 2.664
194 HB2 ALA 27 2HB ALA 27 -3.971 8.516 1.010
195 HB3 ALA 27 3HB ALA 27 -3.785 7.061 2.019
196 H HIS 28 H HIS 28 -1.584 5.341 1.691
197 HA HIS 28 HA HIS 28 -0.084 5.443 4.171
198 HB2 HIS 28 1HB HIS 28 -1.471 3.582 3.789
199 HB3 HIS 28 2HB HIS 28 -0.800 3.285 2.190
200 HD1 HIS 28 1HD HIS 28 0.040 2.701 5.870
201 HD2 HIS 28 2HD HIS 28 1.577 2.059 2.013
202 HE1 HIS 28 1HE HIS 28 2.047 1.177 6.169
203 H MET 29 H MET 29 0.839 5.039 0.725
204 HA MET 29 HA MET 29 3.598 4.486 1.124
205 HB2 MET 29 1HB MET 29 2.300 5.960 -1.193
206 HB3 MET 29 2HB MET 29 3.892 5.214 -1.201
207 HG2 MET 29 1HG MET 29 1.888 3.221 -0.404
208 HG3 MET 29 2HG MET 29 1.377 4.076 -1.816
209 HE1 MET 29 3HE MET 29 5.147 1.516 -1.601
210 HE2 MET 29 1HE MET 29 5.059 3.124 -0.839
211 HE3 MET 29 2HE MET 29 3.980 1.824 -0.290
212 H ASN 30 H ASN 30 1.873 7.594 0.977
213 HA ASN 30 HA ASN 30 4.178 9.298 1.096
214 HB2 ASN 30 1HB ASN 30 1.222 9.624 1.695
215 HB3 ASN 30 2HB ASN 30 2.360 10.880 2.170
216 HD21 ASN 30 1HD2 ASN 30 1.135 9.105 -0.718
217 HD22 ASN 30 2HD2 ASN 30 1.657 10.372 -1.821
218 H ARG 31 H ARG 31 2.700 7.364 3.642
219 HA ARG 31 HA ARG 31 3.940 8.805 5.872
220 HB2 ARG 31 1HB ARG 31 3.024 5.910 5.842
221 HB3 ARG 31 2HB ARG 31 3.246 6.953 7.240
222 HG2 ARG 31 1HG ARG 31 1.349 8.378 6.536
223 HG3 ARG 31 2HG ARG 31 1.123 7.369 5.098
224 HD2 ARG 31 1HD ARG 31 0.776 5.388 6.606
225 HD3 ARG 31 2HD ARG 31 0.770 6.511 7.985
226 HE ARG 31 HE ARG 31 -1.080 7.489 6.076
227 HH11 ARG 31 2HH1 ARG 31 -0.857 4.732 8.225
228 HH12 ARG 31 1HH1 ARG 31 -2.581 4.484 8.234
229 HH21 ARG 31 2HH2 ARG 31 -3.275 7.139 6.164
230 HH22 ARG 31 1HH2 ARG 31 -3.907 5.820 7.100
231 H HIS 32 H HIS 32 5.005 6.351 3.616
232 HA HIS 32 HA HIS 32 7.468 5.776 5.122
233 HB2 HIS 32 1HB HIS 32 6.610 5.052 2.294
234 HB3 HIS 32 2HB HIS 32 8.126 4.587 3.040
235 HD1 HIS 32 1HD HIS 32 7.846 2.955 5.319
236 HD2 HIS 32 2HD HIS 32 4.699 3.281 2.552
237 HE1 HIS 32 1HE HIS 32 6.438 0.871 5.630
238 H SER 33 H SER 33 6.385 7.968 2.532
239 HA SER 33 HA SER 33 8.963 8.909 1.721
240 HB2 SER 33 1HB SER 33 6.310 10.392 1.618
241 HB3 SER 33 2HB SER 33 7.750 10.737 0.660
242 HG SER 33 HG SER 33 7.517 8.707 -0.348
243 H THR 34 H THR 34 6.791 10.014 4.352
244 HA THR 34 HA THR 34 8.491 12.311 5.007
245 HB THR 34 HB THR 34 7.003 12.545 6.983
246 HG1 THR 34 1HG THR 34 5.133 11.281 7.019
247 HG21 THR 34 3HG2 THR 34 5.531 12.291 4.325
248 HG22 THR 34 1HG2 THR 34 6.491 13.690 4.848
249 HG23 THR 34 2HG2 THR 34 5.023 13.246 5.733
250 H GLU 35 H GLU 35 9.536 12.641 7.041
251 HA GLU 35 HA GLU 35 10.503 10.208 8.469
252 HB2 GLU 35 1HB GLU 35 12.261 12.398 7.282
253 HB3 GLU 35 2HB GLU 35 12.804 11.147 8.406
254 HG2 GLU 35 1HG GLU 35 12.129 9.393 6.757
255 HG3 GLU 35 2HG GLU 35 11.717 10.665 5.602
256 H LYS 36 H LYS 36 11.463 10.636 10.527
257 HA LYS 36 HA LYS 36 10.893 13.252 11.829
258 HB2 LYS 36 1HB LYS 36 10.021 10.523 12.875
259 HB3 LYS 36 2HB LYS 36 10.049 12.012 13.826
260 HG2 LYS 36 1HG LYS 36 8.441 13.060 12.231
261 HG3 LYS 36 2HG LYS 36 8.357 11.526 11.339
262 HD2 LYS 36 1HD LYS 36 7.498 10.382 13.373
263 HD3 LYS 36 2HD LYS 36 7.643 11.891 14.280
264 HE2 LYS 36 1HE LYS 36 5.345 11.653 13.701
265 HE3 LYS 36 2HE LYS 36 6.007 12.973 12.733
266 HZ1 LYS 36 3HZ LYS 36 6.149 11.425 10.849
267 HZ2 LYS 36 1HZ LYS 36 4.618 11.469 11.411
268 HZ3 LYS 36 2HZ LYS 36 5.571 10.193 11.760
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 -10.296 -16.971 11.544
2 H2 GLY 1 2H GLY 1 -10.198 -16.913 9.909
3 H3 GLY 1 3H GLY 1 -9.417 -15.796 10.815
4 HA2 GLY 1 1HA GLY 1 -7.947 -17.460 11.731
5 HA3 GLY 1 2HA GLY 1 -8.805 -18.682 10.776
6 H SER 2 H SER 2 -5.956 -17.950 10.708
7 HA SER 2 HA SER 2 -5.242 -16.222 8.631
8 HB2 SER 2 1HB SER 2 -3.734 -18.693 9.561
9 HB3 SER 2 2HB SER 2 -3.050 -17.270 8.751
10 HG SER 2 HG SER 2 -2.786 -17.179 11.035
11 H SER 3 H SER 3 -6.375 -19.521 8.285
12 HA SER 3 HA SER 3 -5.414 -19.875 5.554
13 HB2 SER 3 1HB SER 3 -7.448 -21.497 7.120
14 HB3 SER 3 2HB SER 3 -6.619 -21.985 5.629
15 HG SER 3 HG SER 3 -5.609 -22.854 7.498
16 H GLY 4 H GLY 4 -7.784 -17.837 6.598
17 HA2 GLY 4 1HA GLY 4 -10.052 -18.407 4.982
18 HA3 GLY 4 2HA GLY 4 -9.627 -16.839 5.659
19 H SER 5 H SER 5 -10.924 -17.089 3.242
20 HA SER 5 HA SER 5 -9.089 -17.051 0.989
21 HB2 SER 5 1HB SER 5 -11.177 -16.820 -0.328
22 HB3 SER 5 2HB SER 5 -11.199 -18.181 0.802
23 HG SER 5 HG SER 5 -13.152 -16.954 0.865
24 H SER 6 H SER 6 -9.703 -14.589 3.099
25 HA SER 6 HA SER 6 -10.285 -12.354 1.424
26 HB2 SER 6 1HB SER 6 -10.534 -12.317 3.853
27 HB3 SER 6 2HB SER 6 -8.777 -12.447 4.059
28 HG SER 6 HG SER 6 -9.913 -10.263 4.063
29 H GLY 7 H GLY 7 -9.041 -10.817 0.434
30 HA2 GLY 7 1HA GLY 7 -6.144 -10.756 0.491
31 HA3 GLY 7 2HA GLY 7 -6.767 -11.417 -1.027
32 H LYS 8 H LYS 8 -5.252 -9.014 -0.678
33 HA LYS 8 HA LYS 8 -7.218 -6.851 -1.279
34 HB2 LYS 8 1HB LYS 8 -4.783 -6.877 0.484
35 HB3 LYS 8 2HB LYS 8 -5.184 -5.408 -0.388
36 HG2 LYS 8 1HG LYS 8 -6.090 -5.265 1.808
37 HG3 LYS 8 2HG LYS 8 -7.376 -5.280 0.615
38 HD2 LYS 8 1HD LYS 8 -7.966 -6.490 2.645
39 HD3 LYS 8 2HD LYS 8 -8.001 -7.555 1.250
40 HE2 LYS 8 1HE LYS 8 -5.814 -8.510 1.883
41 HE3 LYS 8 2HE LYS 8 -5.658 -7.337 3.196
42 HZ1 LYS 8 3HZ LYS 8 -7.565 -8.344 4.281
43 HZ2 LYS 8 1HZ LYS 8 -6.460 -9.504 3.992
44 HZ3 LYS 8 2HZ LYS 8 -7.806 -9.407 3.069
45 HA PRO 9 HA PRO 9 -5.167 -6.472 -5.171
46 HB2 PRO 9 1HB PRO 9 -6.081 -4.046 -6.029
47 HB3 PRO 9 2HB PRO 9 -7.106 -5.512 -5.909
48 HG2 PRO 9 1HG PRO 9 -6.765 -3.328 -3.821
49 HG3 PRO 9 2HG PRO 9 -8.308 -3.952 -4.512
50 HD2 PRO 9 1HD PRO 9 -7.280 -4.835 -2.175
51 HD3 PRO 9 2HD PRO 9 -8.048 -5.992 -3.320
52 H PHE 10 H PHE 10 -4.829 -3.646 -2.938
53 HA PHE 10 HA PHE 10 -2.278 -2.878 -4.297
54 HB2 PHE 10 1HB PHE 10 -4.073 -1.196 -2.559
55 HB3 PHE 10 2HB PHE 10 -2.691 -0.670 -3.487
56 HD1 PHE 10 1HD PHE 10 -2.682 -1.086 -6.045
57 HD2 PHE 10 2HD PHE 10 -6.232 -1.112 -3.608
58 HE1 PHE 10 1HE PHE 10 -4.069 -0.869 -8.076
59 HE2 PHE 10 2HE PHE 10 -7.636 -0.949 -5.654
60 HZ PHE 10 HZ PHE 10 -6.557 -0.795 -7.894
61 H LYS 11 H LYS 11 -0.998 -4.220 -3.458
62 HA LYS 11 HA LYS 11 -0.325 -4.283 -0.577
63 HB2 LYS 11 1HB LYS 11 -0.314 -6.376 -1.845
64 HB3 LYS 11 2HB LYS 11 0.788 -5.698 -3.037
65 HG2 LYS 11 1HG LYS 11 1.920 -7.247 -1.525
66 HG3 LYS 11 2HG LYS 11 2.608 -5.631 -1.413
67 HD2 LYS 11 1HD LYS 11 1.615 -5.271 0.740
68 HD3 LYS 11 2HD LYS 11 0.486 -6.622 0.520
69 HE2 LYS 11 1HE LYS 11 2.152 -7.323 2.063
70 HE3 LYS 11 2HE LYS 11 2.378 -8.218 0.563
71 HZ1 LYS 11 3HZ LYS 11 4.431 -7.362 1.586
72 HZ2 LYS 11 1HZ LYS 11 3.971 -5.812 1.308
73 HZ3 LYS 11 2HZ LYS 11 4.257 -6.813 0.036
74 H CYS 12 H CYS 12 0.967 -2.905 0.263
75 HA CYS 12 HA CYS 12 2.525 -0.868 -0.909
76 HB2 CYS 12 1HB CYS 12 1.786 -0.960 1.414
77 HB3 CYS 12 2HB CYS 12 2.796 -2.381 1.707
78 H SER 13 H SER 13 4.488 -0.731 -1.755
79 HA SER 13 HA SER 13 5.982 -3.114 -2.512
80 HB2 SER 13 1HB SER 13 6.660 -0.171 -2.877
81 HB3 SER 13 2HB SER 13 7.445 -1.539 -3.690
82 HG SER 13 HG SER 13 5.829 -0.575 -5.002
83 H LEU 14 H LEU 14 5.965 -1.385 0.335
84 HA LEU 14 HA LEU 14 8.906 -1.668 0.884
85 HB2 LEU 14 1HB LEU 14 6.878 0.228 2.115
86 HB3 LEU 14 2HB LEU 14 8.609 0.262 2.345
87 HG LEU 14 HG LEU 14 7.282 0.732 -0.371
88 HD11 LEU 14 1HD1 LEU 14 8.299 2.791 1.600
89 HD12 LEU 14 2HD1 LEU 14 6.601 2.473 1.159
90 HD13 LEU 14 3HD1 LEU 14 7.706 3.103 -0.057
91 HD21 LEU 14 3HD2 LEU 14 10.112 1.260 0.613
92 HD22 LEU 14 1HD2 LEU 14 9.466 1.686 -0.989
93 HD23 LEU 14 2HD2 LEU 14 9.617 -0.014 -0.524
94 H CYS 15 H CYS 15 5.668 -2.033 2.225
95 HA CYS 15 HA CYS 15 6.709 -3.897 4.302
96 HB2 CYS 15 1HB CYS 15 5.603 -2.866 6.043
97 HB3 CYS 15 2HB CYS 15 6.354 -1.542 5.175
98 H GLU 16 H GLU 16 4.539 -4.643 5.568
99 HA GLU 16 HA GLU 16 3.191 -6.309 3.545
100 HB2 GLU 16 1HB GLU 16 4.380 -6.952 5.941
101 HB3 GLU 16 2HB GLU 16 2.718 -6.751 6.454
102 HG2 GLU 16 1HG GLU 16 2.873 -9.032 5.920
103 HG3 GLU 16 2HG GLU 16 2.148 -8.373 4.458
104 H TYR 17 H TYR 17 2.472 -3.383 4.491
105 HA TYR 17 HA TYR 17 -0.342 -3.516 5.142
106 HB2 TYR 17 1HB TYR 17 1.034 -1.525 5.421
107 HB3 TYR 17 2HB TYR 17 1.370 -1.458 3.712
108 HD1 TYR 17 1HD TYR 17 -0.391 -0.755 2.090
109 HD2 TYR 17 2HD TYR 17 -1.069 -0.638 6.342
110 HE1 TYR 17 1HE TYR 17 -2.296 0.825 1.741
111 HE2 TYR 17 2HE TYR 17 -2.967 0.940 5.988
112 HH TYR 17 HH TYR 17 -4.242 2.076 4.463
113 H ALA 18 H ALA 18 -2.145 -3.692 3.914
114 HA ALA 18 HA ALA 18 -1.987 -3.151 1.088
115 HB1 ALA 18 1HB ALA 18 -1.424 -5.587 1.219
116 HB2 ALA 18 2HB ALA 18 -3.012 -5.881 1.947
117 HB3 ALA 18 3HB ALA 18 -2.897 -5.244 0.279
118 H THR 19 H THR 19 -3.970 -2.762 0.069
119 HA THR 19 HA THR 19 -6.407 -2.532 1.772
120 HB THR 19 HB THR 19 -5.090 -0.479 2.102
121 HG1 THR 19 1HG THR 19 -7.202 -0.147 2.213
122 HG21 THR 19 3HG2 THR 19 -3.885 -0.483 -0.083
123 HG22 THR 19 1HG2 THR 19 -4.582 1.042 0.398
124 HG23 THR 19 2HG2 THR 19 -5.386 0.070 -0.861
125 H ARG 20 H ARG 20 -8.309 -1.856 0.587
126 HA ARG 20 HA ARG 20 -8.563 -3.264 -2.001
127 HB2 ARG 20 1HB ARG 20 -10.614 -2.077 -0.116
128 HB3 ARG 20 2HB ARG 20 -11.011 -2.899 -1.613
129 HG2 ARG 20 1HG ARG 20 -9.595 -4.171 0.768
130 HG3 ARG 20 2HG ARG 20 -11.299 -4.333 0.379
131 HD2 ARG 20 1HD ARG 20 -9.003 -5.389 -1.321
132 HD3 ARG 20 2HD ARG 20 -10.030 -6.332 -0.251
133 HE ARG 20 HE ARG 20 -11.599 -4.878 -2.196
134 HH11 ARG 20 2HH1 ARG 20 -9.740 -7.889 -1.872
135 HH12 ARG 20 1HH1 ARG 20 -10.553 -8.578 -3.241
136 HH21 ARG 20 2HH2 ARG 20 -12.567 -5.892 -3.897
137 HH22 ARG 20 1HH2 ARG 20 -12.103 -7.509 -4.330
138 H SER 21 H SER 21 -8.000 -0.032 -1.161
139 HA SER 21 HA SER 21 -8.943 0.864 -3.870
140 HB2 SER 21 1HB SER 21 -9.156 2.427 -1.274
141 HB3 SER 21 2HB SER 21 -9.568 3.022 -2.890
142 HG SER 21 HG SER 21 -11.417 2.261 -1.757
143 H LYS 22 H LYS 22 -7.430 1.859 -5.079
144 HA LYS 22 HA LYS 22 -4.735 1.951 -4.260
145 HB2 LYS 22 1HB LYS 22 -4.254 2.983 -6.384
146 HB3 LYS 22 2HB LYS 22 -5.448 1.715 -6.567
147 HG2 LYS 22 1HG LYS 22 -7.262 3.422 -6.721
148 HG3 LYS 22 2HG LYS 22 -6.059 4.702 -6.514
149 HD2 LYS 22 1HD LYS 22 -6.612 4.507 -8.848
150 HD3 LYS 22 2HD LYS 22 -4.933 4.003 -8.605
151 HE2 LYS 22 1HE LYS 22 -5.633 1.621 -8.696
152 HE3 LYS 22 2HE LYS 22 -7.323 2.117 -8.873
153 HZ1 LYS 22 3HZ LYS 22 -6.718 3.177 -10.983
154 HZ2 LYS 22 1HZ LYS 22 -6.319 1.598 -11.023
155 HZ3 LYS 22 2HZ LYS 22 -5.157 2.724 -10.819
156 H SER 23 H SER 23 -7.098 4.563 -4.095
157 HA SER 23 HA SER 23 -5.313 6.680 -3.437
158 HB2 SER 23 1HB SER 23 -8.214 6.269 -2.619
159 HB3 SER 23 2HB SER 23 -7.315 7.799 -2.529
160 HG SER 23 HG SER 23 -8.560 7.602 -4.470
161 H ASN 24 H ASN 24 -6.536 4.044 -1.410
162 HA ASN 24 HA ASN 24 -5.759 5.292 1.129
163 HB2 ASN 24 1HB ASN 24 -6.397 2.418 0.367
164 HB3 ASN 24 2HB ASN 24 -6.059 2.958 2.001
165 HD21 ASN 24 1HD2 ASN 24 -8.328 1.602 1.398
166 HD22 ASN 24 2HD2 ASN 24 -9.711 2.685 1.590
167 H LEU 25 H LEU 25 -4.353 2.748 -1.038
168 HA LEU 25 HA LEU 25 -1.965 2.510 0.451
169 HB2 LEU 25 1HB LEU 25 -2.554 0.820 -1.190
170 HB3 LEU 25 2HB LEU 25 -2.428 1.977 -2.515
171 HG LEU 25 HG LEU 25 -0.054 2.204 -2.100
172 HD11 LEU 25 1HD1 LEU 25 0.031 1.844 0.352
173 HD12 LEU 25 2HD1 LEU 25 1.178 0.818 -0.485
174 HD13 LEU 25 3HD1 LEU 25 -0.353 0.126 0.094
175 HD21 LEU 25 3HD2 LEU 25 0.769 0.023 -2.750
176 HD22 LEU 25 1HD2 LEU 25 -0.725 0.427 -3.613
177 HD23 LEU 25 2HD2 LEU 25 -0.759 -0.720 -2.242
178 H LYS 26 H LYS 26 -2.638 4.582 -2.353
179 HA LYS 26 HA LYS 26 -0.227 5.966 -2.685
180 HB2 LYS 26 1HB LYS 26 -2.286 6.303 -4.016
181 HB3 LYS 26 2HB LYS 26 -3.093 7.001 -2.617
182 HG2 LYS 26 1HG LYS 26 -1.274 8.877 -2.718
183 HG3 LYS 26 2HG LYS 26 -0.867 8.188 -4.296
184 HD2 LYS 26 1HD LYS 26 -2.416 9.911 -4.759
185 HD3 LYS 26 2HD LYS 26 -3.375 8.416 -4.849
186 HE2 LYS 26 1HE LYS 26 -4.193 8.822 -2.527
187 HE3 LYS 26 2HE LYS 26 -3.222 10.296 -2.447
188 HZ1 LYS 26 3HZ LYS 26 -4.546 11.196 -4.282
189 HZ2 LYS 26 1HZ LYS 26 -5.522 10.790 -3.042
190 HZ3 LYS 26 2HZ LYS 26 -5.448 9.836 -4.367
191 H ALA 27 H ALA 27 -2.690 6.569 -0.220
192 HA ALA 27 HA ALA 27 -1.332 8.818 1.029
193 HB1 ALA 27 1HB ALA 27 -3.785 8.486 1.127
194 HB2 ALA 27 2HB ALA 27 -3.548 7.021 2.107
195 HB3 ALA 27 3HB ALA 27 -3.066 8.602 2.745
196 H HIS 28 H HIS 28 -1.490 5.311 1.772
197 HA HIS 28 HA HIS 28 0.131 5.352 4.139
198 HB2 HIS 28 1HB HIS 28 -1.317 3.540 3.681
199 HB3 HIS 28 2HB HIS 28 -0.607 3.254 2.098
200 HD1 HIS 28 1HD HIS 28 0.145 2.644 5.794
201 HD2 HIS 28 2HD HIS 28 1.707 1.971 1.947
202 HE1 HIS 28 1HE HIS 28 2.070 1.028 6.112
203 H MET 29 H MET 29 0.976 5.046 0.671
204 HA MET 29 HA MET 29 3.807 4.673 1.011
205 HB2 MET 29 1HB MET 29 2.293 5.937 -1.296
206 HB3 MET 29 2HB MET 29 3.938 5.324 -1.362
207 HG2 MET 29 1HG MET 29 1.944 3.289 -0.467
208 HG3 MET 29 2HG MET 29 1.625 3.979 -2.018
209 HE1 MET 29 3HE MET 29 5.252 1.448 -0.990
210 HE2 MET 29 1HE MET 29 5.134 3.141 -0.436
211 HE3 MET 29 2HE MET 29 3.927 1.945 0.091
212 H ASN 30 H ASN 30 1.785 7.588 1.006
213 HA ASN 30 HA ASN 30 4.038 9.448 1.041
214 HB2 ASN 30 1HB ASN 30 1.053 9.710 1.435
215 HB3 ASN 30 2HB ASN 30 2.126 10.997 1.963
216 HD21 ASN 30 1HD2 ASN 30 1.174 9.110 -0.944
217 HD22 ASN 30 2HD2 ASN 30 1.702 10.371 -2.055
218 H ARG 31 H ARG 31 2.272 7.666 3.584
219 HA ARG 31 HA ARG 31 3.571 9.009 5.812
220 HB2 ARG 31 1HB ARG 31 2.575 6.135 5.679
221 HB3 ARG 31 2HB ARG 31 3.055 7.011 7.123
222 HG2 ARG 31 1HG ARG 31 1.227 8.667 6.761
223 HG3 ARG 31 2HG ARG 31 0.725 7.782 5.318
224 HD2 ARG 31 1HD ARG 31 -0.727 7.115 7.072
225 HD3 ARG 31 2HD ARG 31 0.349 5.747 6.729
226 HE ARG 31 HE ARG 31 1.489 7.318 8.828
227 HH11 ARG 31 1HH1 ARG 31 -1.283 5.215 8.412
228 HH12 ARG 31 2HH1 ARG 31 -1.308 4.766 10.096
229 HH21 ARG 31 2HH2 ARG 31 1.400 6.700 10.960
230 HH22 ARG 31 1HH2 ARG 31 0.170 5.594 11.494
231 H HIS 32 H HIS 32 4.506 6.145 3.858
232 HA HIS 32 HA HIS 32 7.025 5.726 5.159
233 HB2 HIS 32 1HB HIS 32 6.034 5.110 2.358
234 HB3 HIS 32 2HB HIS 32 7.670 4.747 2.879
235 HD1 HIS 32 1HD HIS 32 7.680 3.213 5.339
236 HD2 HIS 32 2HD HIS 32 4.500 3.048 2.588
237 HE1 HIS 32 1HE HIS 32 6.626 0.908 5.630
238 H SER 33 H SER 33 6.145 7.865 2.437
239 HA SER 33 HA SER 33 8.697 8.664 1.632
240 HB2 SER 33 1HB SER 33 6.503 9.095 0.485
241 HB3 SER 33 2HB SER 33 6.221 10.427 1.628
242 HG SER 33 HG SER 33 7.193 11.112 -0.359
243 H THR 34 H THR 34 6.861 9.910 4.413
244 HA THR 34 HA THR 34 8.946 11.901 5.030
245 HB THR 34 HB THR 34 6.684 12.546 5.396
246 HG1 THR 34 1HG THR 34 8.193 12.281 7.762
247 HG21 THR 34 3HG2 THR 34 5.514 10.576 6.060
248 HG22 THR 34 1HG2 THR 34 5.408 11.747 7.375
249 HG23 THR 34 2HG2 THR 34 6.523 10.370 7.509
250 H GLU 35 H GLU 35 9.983 9.426 4.746
251 HA GLU 35 HA GLU 35 11.447 7.963 5.571
252 HB2 GLU 35 1HB GLU 35 12.445 10.261 5.945
253 HB3 GLU 35 2HB GLU 35 12.059 10.065 7.651
254 HG2 GLU 35 1HG GLU 35 14.366 9.496 7.326
255 HG3 GLU 35 2HG GLU 35 13.521 8.000 7.685
256 H LYS 36 H LYS 36 9.302 6.893 6.203
257 HA LYS 36 HA LYS 36 9.572 5.840 9.004
258 HB2 LYS 36 1HB LYS 36 6.993 5.978 7.416
259 HB3 LYS 36 2HB LYS 36 7.191 5.381 9.054
260 HG2 LYS 36 1HG LYS 36 7.595 8.263 8.155
261 HG3 LYS 36 2HG LYS 36 6.175 7.627 8.977
262 HD2 LYS 36 1HD LYS 36 7.484 7.146 10.992
263 HD3 LYS 36 2HD LYS 36 8.977 7.664 10.185
264 HE2 LYS 36 1HE LYS 36 8.007 9.925 9.838
265 HE3 LYS 36 2HE LYS 36 6.548 9.427 10.705
266 HZ1 LYS 36 3HZ LYS 36 8.101 10.590 12.170
267 HZ2 LYS 36 1HZ LYS 36 9.285 9.509 11.865
268 HZ3 LYS 36 2HZ LYS 36 7.943 9.047 12.676