Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10069 | 1p7a RC | 5851 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1H GLY 1 7.748 3.460 2.430
2 2H GLY 1 2H GLY 1 7.430 4.724 3.510
3 3H GLY 1 3H GLY 1 7.698 3.159 4.098
4 1HA GLY 1 1HA GLY 1 9.563 5.157 3.787
5 2HA GLY 1 2HA GLY 1 9.875 3.470 4.181
6 H SER 2 H SER 2 11.612 2.953 2.987
7 HA SER 2 HA SER 2 11.305 2.844 0.123
8 1HB SER 2 1HB SER 2 13.430 4.573 1.402
9 2HB SER 2 2HB SER 2 13.525 4.005 -0.265
10 HG SER 2 HG SER 2 11.129 5.198 0.449
11 H THR 3 H THR 3 11.699 0.753 -0.111
12 HA THR 3 HA THR 3 14.041 -0.394 1.227
13 HB THR 3 HB THR 3 12.024 -2.218 0.094
14 HG1 THR 3 HG1 THR 3 10.469 -1.088 1.046
15 1HG2 THR 3 1HG2 THR 3 13.605 -2.096 2.656
16 2HG2 THR 3 2HG2 THR 3 13.850 -3.181 1.287
17 3HG2 THR 3 3HG2 THR 3 12.418 -3.350 2.304
18 H ARG 4 H ARG 4 12.223 -0.254 -1.656
19 HA ARG 4 HA ARG 4 14.586 -0.554 -3.293
20 1HB ARG 4 1HB ARG 4 12.395 -2.598 -3.240
21 2HB ARG 4 2HB ARG 4 13.154 -2.211 -4.778
22 1HG ARG 4 1HG ARG 4 15.365 -2.711 -3.645
23 2HG ARG 4 2HG ARG 4 14.411 -3.393 -2.325
24 1HD ARG 4 1HD ARG 4 14.056 -4.251 -5.186
25 2HD ARG 4 2HD ARG 4 15.231 -5.011 -4.115
26 HE ARG 4 HE ARG 4 12.335 -4.945 -3.522
27 1HH1 ARG 4 1HH1 ARG 4 15.372 -6.679 -3.810
28 2HH1 ARG 4 2HH1 ARG 4 14.754 -8.140 -3.088
29 1HH2 ARG 4 1HH2 ARG 4 11.522 -6.874 -2.582
30 2HH2 ARG 4 2HH2 ARG 4 12.562 -8.259 -2.414
31 H GLY 5 H GLY 5 13.330 1.705 -2.939
32 1HA GLY 5 1HA GLY 5 12.427 3.429 -4.240
33 2HA GLY 5 2HA GLY 5 11.966 2.242 -5.456
34 H SER 6 H SER 6 10.184 0.780 -4.877
35 HA SER 6 HA SER 6 8.405 1.685 -2.778
36 1HB SER 6 1HB SER 6 6.659 1.370 -4.907
37 2HB SER 6 2HB SER 6 7.151 2.897 -4.183
38 HG SER 6 HG SER 6 8.422 3.307 -5.840
39 H THR 7 H THR 7 9.991 -0.715 -4.023
40 HA THR 7 HA THR 7 7.862 -2.698 -3.585
41 HB THR 7 HB THR 7 9.172 -3.990 -5.490
42 HG1 THR 7 HG1 THR 7 10.710 -2.665 -6.197
43 1HG2 THR 7 1HG2 THR 7 7.482 -3.431 -6.978
44 2HG2 THR 7 2HG2 THR 7 7.440 -1.749 -6.452
45 3HG2 THR 7 3HG2 THR 7 6.762 -3.011 -5.424
46 H GLY 8 H GLY 8 8.972 -2.706 -1.467
47 1HA GLY 8 1HA GLY 8 11.535 -4.103 -1.506
48 2HA GLY 8 2HA GLY 8 10.776 -3.361 -0.106
49 H ILE 9 H ILE 9 9.343 -4.500 1.108
50 HA ILE 9 HA ILE 9 9.777 -7.350 1.074
51 HB ILE 9 HB ILE 9 7.901 -5.985 2.968
52 1HG1 ILE 9 1HG1 ILE 9 10.887 -5.985 3.376
53 2HG1 ILE 9 2HG1 ILE 9 10.044 -4.621 2.646
54 1HG2 ILE 9 1HG2 ILE 9 9.090 -8.539 2.781
55 2HG2 ILE 9 2HG2 ILE 9 9.795 -7.737 4.186
56 3HG2 ILE 9 3HG2 ILE 9 8.045 -7.915 4.057
57 1HD1 ILE 9 1HD1 ILE 9 9.945 -3.891 4.761
58 2HD1 ILE 9 2HD1 ILE 9 8.565 -4.984 4.871
59 3HD1 ILE 9 3HD1 ILE 9 10.151 -5.506 5.439
60 H LYS 10 H LYS 10 8.040 -8.914 1.365
61 HA LYS 10 HA LYS 10 6.182 -10.025 0.738
62 1HB LYS 10 1HB LYS 10 5.320 -7.474 1.807
63 2HB LYS 10 2HB LYS 10 4.145 -8.148 0.679
64 1HG LYS 10 1HG LYS 10 3.460 -9.606 2.189
65 2HG LYS 10 2HG LYS 10 5.100 -10.216 2.405
66 1HD LYS 10 1HD LYS 10 5.529 -8.325 3.967
67 2HD LYS 10 2HD LYS 10 3.823 -7.885 3.831
68 1HE LYS 10 1HE LYS 10 3.252 -10.186 4.619
69 2HE LYS 10 2HE LYS 10 4.971 -10.454 4.910
70 1HZ LYS 10 1HZ LYS 10 4.223 -8.044 6.140
71 2HZ LYS 10 2HZ LYS 10 4.762 -9.479 6.868
72 3HZ LYS 10 3HZ LYS 10 3.107 -9.240 6.599
73 HA PRO 11 HA PRO 11 5.689 -9.792 -3.609
74 1HB PRO 11 1HB PRO 11 3.338 -11.156 -3.912
75 2HB PRO 11 2HB PRO 11 4.893 -11.938 -3.602
76 1HG PRO 11 1HG PRO 11 2.697 -11.257 -1.687
77 2HG PRO 11 2HG PRO 11 3.667 -12.739 -1.794
78 1HD PRO 11 1HD PRO 11 4.182 -10.848 0.044
79 2HD PRO 11 2HD PRO 11 5.486 -11.773 -0.730
80 H PHE 12 H PHE 12 3.246 -8.620 -1.458
81 HA PHE 12 HA PHE 12 2.170 -6.913 -3.598
82 1HB PHE 12 1HB PHE 12 0.686 -8.016 -1.205
83 2HB PHE 12 2HB PHE 12 0.010 -6.945 -2.431
84 HD1 PHE 12 HD1 PHE 12 0.052 -10.205 -1.396
85 HD2 PHE 12 HD2 PHE 12 0.531 -7.899 -4.938
86 HE1 PHE 12 HE1 PHE 12 -0.582 -12.156 -2.748
87 HE2 PHE 12 HE2 PHE 12 -0.100 -9.849 -6.298
88 HZ PHE 12 HZ PHE 12 -0.657 -11.983 -5.203
89 H GLN 13 H GLN 13 3.815 -5.390 -2.986
90 HA GLN 13 HA GLN 13 3.413 -4.073 -0.411
91 1HB GLN 13 1HB GLN 13 5.589 -3.184 -0.703
92 2HB GLN 13 2HB GLN 13 5.669 -4.868 -1.209
93 1HG GLN 13 1HG GLN 13 5.085 -2.851 -3.278
94 2HG GLN 13 2HG GLN 13 6.719 -2.923 -2.630
95 1HE2 GLN 13 1HE2 GLN 13 7.489 -5.321 -2.422
96 2HE2 GLN 13 2HE2 GLN 13 7.262 -6.280 -3.846
97 H CYS 14 H CYS 14 3.384 -1.681 -0.422
98 HA CYS 14 HA CYS 14 1.614 -0.687 -2.452
99 1HB CYS 14 1HB CYS 14 1.303 0.119 -0.177
100 2HB CYS 14 2HB CYS 14 2.948 0.751 -0.144
101 HA PRO 15 HA PRO 15 5.015 0.719 -5.011
102 1HB PRO 15 1HB PRO 15 3.516 1.603 -7.063
103 2HB PRO 15 2HB PRO 15 3.786 -0.120 -6.776
104 1HG PRO 15 1HG PRO 15 1.409 1.565 -6.110
105 2HG PRO 15 2HG PRO 15 1.466 -0.084 -6.755
106 1HD PRO 15 1HD PRO 15 1.034 0.519 -4.112
107 2HD PRO 15 2HD PRO 15 1.726 -1.012 -4.679
108 H ASP 16 H ASP 16 2.892 2.438 -3.180
109 HA ASP 16 HA ASP 16 3.732 5.039 -4.262
110 1HB ASP 16 1HB ASP 16 1.266 4.035 -3.078
111 2HB ASP 16 2HB ASP 16 1.822 5.514 -2.309
112 H CYS 17 H CYS 17 3.779 2.954 -1.472
113 HA CYS 17 HA CYS 17 5.251 5.004 0.044
114 1HB CYS 17 1HB CYS 17 3.656 2.661 1.080
115 2HB CYS 17 2HB CYS 17 4.520 3.825 2.075
116 H ASP 18 H ASP 18 5.226 1.698 -1.000
117 HA ASP 18 HA ASP 18 6.857 0.080 -1.055
118 1HB ASP 18 1HB ASP 18 8.574 2.058 -0.911
119 2HB ASP 18 2HB ASP 18 8.665 1.615 0.790
120 H ARG 19 H ARG 19 4.704 -0.031 0.418
121 HA ARG 19 HA ARG 19 5.310 -0.640 3.193
122 1HB ARG 19 1HB ARG 19 2.751 -1.060 1.632
123 2HB ARG 19 2HB ARG 19 2.933 -1.216 3.373
124 1HG ARG 19 1HG ARG 19 3.832 1.367 2.535
125 2HG ARG 19 2HG ARG 19 2.214 1.057 1.903
126 1HD ARG 19 1HD ARG 19 2.883 0.501 4.770
127 2HD ARG 19 2HD ARG 19 2.459 2.128 4.241
128 HE ARG 19 HE ARG 19 0.381 0.762 3.282
129 1HH1 ARG 19 1HH1 ARG 19 1.981 0.576 6.403
130 2HH1 ARG 19 2HH1 ARG 19 0.540 0.095 7.257
131 1HH2 ARG 19 1HH2 ARG 19 -1.510 0.119 4.425
132 2HH2 ARG 19 2HH2 ARG 19 -1.442 -0.158 6.132
133 H SER 20 H SER 20 3.481 -2.928 3.342
134 HA SER 20 HA SER 20 4.344 -4.887 1.469
135 1HB SER 20 1HB SER 20 5.267 -6.334 3.513
136 2HB SER 20 2HB SER 20 6.316 -5.314 2.530
137 HG SER 20 HG SER 20 6.212 -3.729 4.108
138 H PHE 21 H PHE 21 2.698 -6.175 1.186
139 HA PHE 21 HA PHE 21 1.064 -6.967 3.495
140 1HB PHE 21 1HB PHE 21 -0.101 -6.309 0.783
141 2HB PHE 21 2HB PHE 21 -0.977 -6.661 2.268
142 HD1 PHE 21 HD1 PHE 21 -1.497 -4.955 3.810
143 HD2 PHE 21 HD2 PHE 21 1.169 -4.171 0.582
144 HE1 PHE 21 HE1 PHE 21 -1.598 -2.550 4.312
145 HE2 PHE 21 HE2 PHE 21 1.063 -1.765 1.079
146 HZ PHE 21 HZ PHE 21 -0.315 -0.956 2.946
147 H SER 22 H SER 22 0.539 -9.102 3.508
148 HA SER 22 HA SER 22 1.822 -10.789 1.556
149 1HB SER 22 1HB SER 22 0.086 -12.280 3.264
150 2HB SER 22 2HB SER 22 1.845 -12.171 3.328
151 HG SER 22 HG SER 22 0.355 -11.401 5.200
152 H ARG 23 H ARG 23 -1.215 -9.333 2.003
153 HA ARG 23 HA ARG 23 -2.453 -11.049 -0.061
154 1HB ARG 23 1HB ARG 23 -3.988 -9.415 1.953
155 2HB ARG 23 2HB ARG 23 -4.578 -10.712 0.925
156 1HG ARG 23 1HG ARG 23 -3.523 -12.364 2.237
157 2HG ARG 23 2HG ARG 23 -2.552 -11.165 3.097
158 1HD ARG 23 1HD ARG 23 -4.843 -12.254 4.048
159 2HD ARG 23 2HD ARG 23 -4.207 -10.685 4.538
160 HE ARG 23 HE ARG 23 -5.765 -9.650 3.036
161 1HH1 ARG 23 1HH1 ARG 23 -6.262 -13.070 3.555
162 2HH1 ARG 23 2HH1 ARG 23 -7.930 -13.029 3.052
163 1HH2 ARG 23 1HH2 ARG 23 -7.947 -9.582 2.371
164 2HH2 ARG 23 2HH2 ARG 23 -8.874 -11.058 2.352
165 H SER 24 H SER 24 -2.992 -10.183 -1.831
166 HA SER 24 HA SER 24 -2.380 -7.569 -2.587
167 1HB SER 24 1HB SER 24 -4.289 -8.420 -4.367
168 2HB SER 24 2HB SER 24 -2.574 -8.813 -4.455
169 HG SER 24 HG SER 24 -4.061 -10.643 -4.531
170 H ASP 25 H ASP 25 -5.239 -8.968 -1.200
171 HA ASP 25 HA ASP 25 -7.102 -6.931 -1.778
172 1HB ASP 25 1HB ASP 25 -8.129 -8.837 -1.012
173 2HB ASP 25 2HB ASP 25 -6.880 -9.170 0.174
174 H HIS 26 H HIS 26 -5.016 -7.506 1.003
175 HA HIS 26 HA HIS 26 -5.839 -5.253 2.499
176 1HB HIS 26 1HB HIS 26 -3.662 -7.233 2.663
177 2HB HIS 26 2HB HIS 26 -3.312 -5.677 3.408
178 HD1 HIS 26 HD1 HIS 26 -3.422 -6.493 5.815
179 HD2 HIS 26 HD2 HIS 26 -6.868 -7.314 3.637
180 HE1 HIS 26 HE1 HIS 26 -5.127 -7.255 7.503
181 HE2 HIS 26 HE2 HIS 26 -7.250 -7.594 6.182
182 H LEU 27 H LEU 27 -3.470 -5.702 -0.021
183 HA LEU 27 HA LEU 27 -2.028 -3.298 0.150
184 1HB LEU 27 1HB LEU 27 -1.624 -5.240 -1.436
185 2HB LEU 27 2HB LEU 27 -2.959 -4.636 -2.396
186 HG LEU 27 HG LEU 27 -1.725 -3.005 -3.335
187 1HD1 LEU 27 1HD1 LEU 27 -1.495 -1.878 -1.064
188 2HD1 LEU 27 2HD1 LEU 27 0.083 -2.664 -0.964
189 3HD1 LEU 27 3HD1 LEU 27 -0.256 -1.525 -2.269
190 1HD2 LEU 27 1HD2 LEU 27 -0.417 -5.132 -3.546
191 2HD2 LEU 27 2HD2 LEU 27 0.497 -3.641 -3.785
192 3HD2 LEU 27 3HD2 LEU 27 0.630 -4.523 -2.264
193 H ALA 28 H ALA 28 -4.841 -4.067 -1.879
194 HA ALA 28 HA ALA 28 -5.376 -1.504 -2.799
195 1HB ALA 28 1HB ALA 28 -6.532 -3.052 -3.995
196 2HB ALA 28 2HB ALA 28 -6.926 -4.020 -2.573
197 3HB ALA 28 3HB ALA 28 -7.817 -2.534 -2.904
198 H LEU 29 H LEU 29 -6.402 -3.086 0.181
199 HA LEU 29 HA LEU 29 -8.342 -1.226 0.985
200 1HB LEU 29 1HB LEU 29 -6.559 -3.048 2.571
201 2HB LEU 29 2HB LEU 29 -7.807 -2.056 3.301
202 HG LEU 29 HG LEU 29 -8.266 -4.219 1.247
203 1HD1 LEU 29 1HD1 LEU 29 -7.742 -5.305 3.251
204 2HD1 LEU 29 2HD1 LEU 29 -8.595 -4.108 4.227
205 3HD1 LEU 29 3HD1 LEU 29 -9.506 -5.241 3.228
206 1HD2 LEU 29 1HD2 LEU 29 -10.618 -3.825 1.598
207 2HD2 LEU 29 2HD2 LEU 29 -10.268 -2.575 2.792
208 3HD2 LEU 29 3HD2 LEU 29 -9.845 -2.320 1.100
209 H HIS 30 H HIS 30 -4.848 -1.325 1.572
210 HA HIS 30 HA HIS 30 -4.848 1.087 3.126
211 1HB HIS 30 1HB HIS 30 -2.957 -0.162 3.602
212 2HB HIS 30 2HB HIS 30 -2.741 -0.676 1.935
213 HD1 HIS 30 HD1 HIS 30 -2.337 2.517 3.997
214 HD2 HIS 30 HD2 HIS 30 -0.819 0.649 0.603
215 HE1 HIS 30 HE1 HIS 30 -0.452 3.982 3.151
216 H ARG 31 H ARG 31 -4.445 0.245 -0.249
217 HA ARG 31 HA ARG 31 -3.466 2.805 -1.022
218 1HB ARG 31 1HB ARG 31 -4.563 0.504 -2.635
219 2HB ARG 31 2HB ARG 31 -3.896 1.972 -3.345
220 1HG ARG 31 1HG ARG 31 -1.838 1.398 -1.830
221 2HG ARG 31 2HG ARG 31 -2.523 -0.227 -1.884
222 1HD ARG 31 1HD ARG 31 -1.010 -0.170 -3.666
223 2HD ARG 31 2HD ARG 31 -2.585 0.076 -4.420
224 HE ARG 31 HE ARG 31 -0.593 2.188 -3.919
225 1HH1 ARG 31 1HH1 ARG 31 -3.367 0.929 -5.639
226 2HH1 ARG 31 2HH1 ARG 31 -3.384 2.206 -6.820
227 1HH2 ARG 31 1HH2 ARG 31 -0.620 3.901 -5.453
228 2HH2 ARG 31 2HH2 ARG 31 -1.819 3.889 -6.720
229 H LYS 32 H LYS 32 -6.441 1.899 -0.002
230 HA LYS 32 HA LYS 32 -8.201 3.285 -1.731
231 1HB LYS 32 1HB LYS 32 -8.338 1.928 0.796
232 2HB LYS 32 2HB LYS 32 -9.160 3.477 0.922
233 1HG LYS 32 1HG LYS 32 -10.819 1.971 0.278
234 2HG LYS 32 2HG LYS 32 -10.383 2.815 -1.210
235 1HD LYS 32 1HD LYS 32 -8.647 0.630 -1.057
236 2HD LYS 32 2HD LYS 32 -10.231 0.008 -0.582
237 1HE LYS 32 1HE LYS 32 -11.190 0.519 -2.619
238 2HE LYS 32 2HE LYS 32 -9.993 1.760 -2.989
239 1HZ LYS 32 1HZ LYS 32 -9.241 -1.088 -2.809
240 2HZ LYS 32 2HZ LYS 32 -8.425 0.175 -3.597
241 3HZ LYS 32 3HZ LYS 32 -9.870 -0.438 -4.246
242 H ARG 33 H ARG 33 -5.971 4.241 0.715
243 HA ARG 33 HA ARG 33 -7.035 6.897 1.052
244 1HB ARG 33 1HB ARG 33 -4.419 5.660 1.924
245 2HB ARG 33 2HB ARG 33 -4.957 7.272 2.371
246 1HG ARG 33 1HG ARG 33 -7.075 5.878 3.198
247 2HG ARG 33 2HG ARG 33 -5.832 4.635 3.359
248 1HD ARG 33 1HD ARG 33 -5.857 5.713 5.435
249 2HD ARG 33 2HD ARG 33 -4.468 6.398 4.594
250 HE ARG 33 HE ARG 33 -5.923 8.338 4.083
251 1HH1 ARG 33 1HH1 ARG 33 -6.670 6.250 6.804
252 2HH1 ARG 33 2HH1 ARG 33 -7.595 7.467 7.647
253 1HH2 ARG 33 1HH2 ARG 33 -7.126 9.943 5.194
254 2HH2 ARG 33 2HH2 ARG 33 -7.841 9.566 6.736
255 H HIS 34 H HIS 34 -5.281 5.374 -1.329
256 HA HIS 34 HA HIS 34 -3.743 7.761 -2.057
257 1HB HIS 34 1HB HIS 34 -3.685 4.912 -3.063
258 2HB HIS 34 2HB HIS 34 -2.756 6.215 -3.798
259 HD1 HIS 34 HD1 HIS 34 -1.452 7.614 -1.532
260 HD2 HIS 34 HD2 HIS 34 -2.007 3.490 -1.540
261 HE1 HIS 34 HE1 HIS 34 0.249 6.653 0.082
262 H MET 35 H MET 35 -6.769 6.850 -2.460
263 HA MET 35 HA MET 35 -7.038 7.151 -5.316
264 1HB MET 35 1HB MET 35 -9.083 6.988 -3.100
265 2HB MET 35 2HB MET 35 -9.495 7.099 -4.806
266 1HG MET 35 1HG MET 35 -8.216 5.001 -5.183
267 2HG MET 35 2HG MET 35 -8.008 4.873 -3.438
268 1HE MET 35 1HE MET 35 -10.134 3.971 -6.432
269 2HE MET 35 2HE MET 35 -9.312 2.730 -5.486
270 3HE MET 35 3HE MET 35 -11.073 2.746 -5.576
271 H LEU 36 H LEU 36 -8.596 8.927 -2.654
272 HA LEU 36 HA LEU 36 -7.790 11.452 -3.878
273 1HB LEU 36 1HB LEU 36 -10.532 11.593 -2.916
274 2HB LEU 36 2HB LEU 36 -9.841 12.193 -4.410
275 HG LEU 36 HG LEU 36 -10.020 9.383 -4.661
276 1HD1 LEU 36 1HD1 LEU 36 -11.621 9.112 -3.001
277 2HD1 LEU 36 2HD1 LEU 36 -12.398 10.653 -3.360
278 3HD1 LEU 36 3HD1 LEU 36 -12.587 9.291 -4.466
279 1HD2 LEU 36 1HD2 LEU 36 -10.198 10.585 -6.604
280 2HD2 LEU 36 2HD2 LEU 36 -11.890 10.184 -6.302
281 3HD2 LEU 36 3HD2 LEU 36 -11.278 11.786 -5.893
282 H VAL 37 H VAL 37 -6.565 10.508 -1.796
283 HA VAL 37 HA VAL 37 -6.012 10.725 0.382
284 HB VAL 37 HB VAL 37 -7.498 13.300 0.626
285 1HG1 VAL 37 1HG1 VAL 37 -4.686 12.449 1.312
286 2HG1 VAL 37 2HG1 VAL 37 -5.416 14.007 1.701
287 3HG1 VAL 37 3HG1 VAL 37 -6.047 12.529 2.432
288 1HG2 VAL 37 1HG2 VAL 37 -5.018 13.040 -1.069
289 2HG2 VAL 37 2HG2 VAL 37 -6.647 13.232 -1.718
290 3HG2 VAL 37 3HG2 VAL 37 -5.934 14.508 -0.733
Start of MODEL 2
1 1H GLY 1 1H GLY 1 7.958 5.759 -1.660
2 2H GLY 1 2H GLY 1 7.630 5.555 -3.313
3 3H GLY 1 3H GLY 1 9.022 6.390 -2.820
4 1HA GLY 1 1HA GLY 1 8.822 3.725 -1.753
5 2HA GLY 1 2HA GLY 1 8.953 3.791 -3.506
6 H SER 2 H SER 2 10.927 2.698 -1.836
7 HA SER 2 HA SER 2 13.147 4.509 -2.453
8 1HB SER 2 1HB SER 2 13.776 3.315 0.037
9 2HB SER 2 2HB SER 2 13.496 5.023 -0.302
10 HG SER 2 HG SER 2 11.762 3.089 0.749
11 H THR 3 H THR 3 12.008 1.269 -1.648
12 HA THR 3 HA THR 3 14.552 0.012 -1.957
13 HB THR 3 HB THR 3 12.062 -1.562 -2.391
14 HG1 THR 3 HG1 THR 3 11.190 -0.602 -0.695
15 1HG2 THR 3 1HG2 THR 3 14.504 -2.408 -2.131
16 2HG2 THR 3 2HG2 THR 3 13.214 -3.244 -1.269
17 3HG2 THR 3 3HG2 THR 3 14.251 -2.104 -0.411
18 H ARG 4 H ARG 4 15.397 0.662 -3.916
19 HA ARG 4 HA ARG 4 15.848 0.640 -6.129
20 1HB ARG 4 1HB ARG 4 14.481 -1.956 -5.674
21 2HB ARG 4 2HB ARG 4 14.694 -1.444 -7.344
22 1HG ARG 4 1HG ARG 4 17.160 -1.006 -6.112
23 2HG ARG 4 2HG ARG 4 16.601 -2.572 -5.518
24 1HD ARG 4 1HD ARG 4 16.513 -1.869 -8.431
25 2HD ARG 4 2HD ARG 4 17.972 -2.516 -7.683
26 HE ARG 4 HE ARG 4 16.577 -4.473 -7.038
27 1HH1 ARG 4 1HH1 ARG 4 15.663 -2.461 -9.762
28 2HH1 ARG 4 2HH1 ARG 4 14.793 -3.734 -10.571
29 1HH2 ARG 4 1HH2 ARG 4 15.403 -6.135 -8.083
30 2HH2 ARG 4 2HH2 ARG 4 14.618 -5.813 -9.604
31 H GLY 5 H GLY 5 13.000 -0.955 -7.175
32 1HA GLY 5 1HA GLY 5 11.939 1.616 -8.149
33 2HA GLY 5 2HA GLY 5 11.580 0.041 -8.843
34 H SER 6 H SER 6 11.542 1.005 -5.456
35 HA SER 6 HA SER 6 9.996 0.961 -3.841
36 1HB SER 6 1HB SER 6 8.047 1.428 -6.093
37 2HB SER 6 2HB SER 6 7.772 1.733 -4.383
38 HG SER 6 HG SER 6 9.655 3.025 -6.069
39 H THR 7 H THR 7 10.794 -1.500 -5.022
40 HA THR 7 HA THR 7 8.502 -3.140 -4.241
41 HB THR 7 HB THR 7 9.692 -4.727 -6.124
42 HG1 THR 7 HG1 THR 7 9.655 -3.059 -7.981
43 1HG2 THR 7 1HG2 THR 7 7.550 -2.765 -6.864
44 2HG2 THR 7 2HG2 THR 7 7.251 -4.055 -5.700
45 3HG2 THR 7 3HG2 THR 7 7.717 -4.450 -7.355
46 H GLY 8 H GLY 8 9.343 -3.678 -2.286
47 1HA GLY 8 1HA GLY 8 11.947 -5.062 -2.335
48 2HA GLY 8 2HA GLY 8 11.407 -4.071 -0.990
49 H ILE 9 H ILE 9 9.834 -4.863 0.425
50 HA ILE 9 HA ILE 9 9.983 -7.741 0.714
51 HB ILE 9 HB ILE 9 8.335 -5.951 2.471
52 1HG1 ILE 9 1HG1 ILE 9 11.329 -6.317 2.679
53 2HG1 ILE 9 2HG1 ILE 9 10.539 -4.858 2.092
54 1HG2 ILE 9 1HG2 ILE 9 10.104 -8.214 3.326
55 2HG2 ILE 9 2HG2 ILE 9 8.679 -7.550 4.125
56 3HG2 ILE 9 3HG2 ILE 9 8.498 -8.521 2.664
57 1HD1 ILE 9 1HD1 ILE 9 9.416 -4.661 4.298
58 2HD1 ILE 9 2HD1 ILE 9 10.394 -6.015 4.861
59 3HD1 ILE 9 3HD1 ILE 9 11.172 -4.514 4.360
60 H LYS 10 H LYS 10 8.120 -9.091 1.136
61 HA LYS 10 HA LYS 10 6.152 -10.071 0.598
62 1HB LYS 10 1HB LYS 10 5.541 -7.365 1.558
63 2HB LYS 10 2HB LYS 10 4.225 -8.169 0.710
64 1HG LYS 10 1HG LYS 10 3.781 -9.418 2.482
65 2HG LYS 10 2HG LYS 10 5.443 -10.004 2.535
66 1HD LYS 10 1HD LYS 10 6.001 -7.790 3.683
67 2HD LYS 10 2HD LYS 10 4.260 -7.604 3.899
68 1HE LYS 10 1HE LYS 10 4.677 -10.160 4.769
69 2HE LYS 10 2HE LYS 10 6.155 -9.351 5.284
70 1HZ LYS 10 1HZ LYS 10 4.644 -9.116 7.047
71 2HZ LYS 10 2HZ LYS 10 3.364 -8.686 6.020
72 3HZ LYS 10 3HZ LYS 10 4.642 -7.606 6.275
73 HA PRO 11 HA PRO 11 5.390 -9.801 -3.685
74 1HB PRO 11 1HB PRO 11 3.073 -11.189 -3.904
75 2HB PRO 11 2HB PRO 11 4.621 -11.959 -3.540
76 1HG PRO 11 1HG PRO 11 2.419 -11.168 -1.674
77 2HG PRO 11 2HG PRO 11 3.367 -12.667 -1.710
78 1HD PRO 11 1HD PRO 11 3.893 -10.664 0.028
79 2HD PRO 11 2HD PRO 11 5.171 -11.697 -0.643
80 H PHE 12 H PHE 12 3.033 -8.562 -1.471
81 HA PHE 12 HA PHE 12 1.883 -6.908 -3.620
82 1HB PHE 12 1HB PHE 12 0.430 -7.951 -1.187
83 2HB PHE 12 2HB PHE 12 -0.266 -6.988 -2.485
84 HD1 PHE 12 HD1 PHE 12 -0.060 -10.174 -1.220
85 HD2 PHE 12 HD2 PHE 12 0.201 -8.085 -4.915
86 HE1 PHE 12 HE1 PHE 12 -0.654 -12.233 -2.420
87 HE2 PHE 12 HE2 PHE 12 -0.391 -10.144 -6.125
88 HZ PHE 12 HZ PHE 12 -0.816 -12.224 -4.876
89 H GLN 13 H GLN 13 3.471 -5.309 -3.031
90 HA GLN 13 HA GLN 13 2.968 -4.055 -0.422
91 1HB GLN 13 1HB GLN 13 5.185 -3.613 -0.250
92 2HB GLN 13 2HB GLN 13 5.296 -4.985 -1.344
93 1HG GLN 13 1HG GLN 13 5.718 -3.642 -3.185
94 2HG GLN 13 2HG GLN 13 5.100 -2.197 -2.394
95 1HE2 GLN 13 1HE2 GLN 13 6.663 -0.833 -2.044
96 2HE2 GLN 13 2HE2 GLN 13 8.251 -1.214 -1.456
97 H CYS 14 H CYS 14 3.224 -1.646 -0.403
98 HA CYS 14 HA CYS 14 1.717 -0.480 -2.551
99 1HB CYS 14 1HB CYS 14 1.306 0.353 -0.294
100 2HB CYS 14 2HB CYS 14 2.990 0.857 -0.155
101 HA PRO 15 HA PRO 15 5.428 0.601 -4.782
102 1HB PRO 15 1HB PRO 15 4.208 1.585 -6.969
103 2HB PRO 15 2HB PRO 15 4.277 -0.149 -6.633
104 1HG PRO 15 1HG PRO 15 2.029 1.776 -6.210
105 2HG PRO 15 2HG PRO 15 1.980 0.109 -6.811
106 1HD PRO 15 1HD PRO 15 1.388 0.842 -4.229
107 2HD PRO 15 2HD PRO 15 1.946 -0.770 -4.709
108 H ASP 16 H ASP 16 3.223 2.629 -3.276
109 HA ASP 16 HA ASP 16 4.554 5.058 -4.290
110 1HB ASP 16 1HB ASP 16 2.041 4.973 -4.328
111 2HB ASP 16 2HB ASP 16 2.073 4.896 -2.569
112 H CYS 17 H CYS 17 3.683 3.349 -1.342
113 HA CYS 17 HA CYS 17 5.244 5.225 0.235
114 1HB CYS 17 1HB CYS 17 3.538 2.911 1.135
115 2HB CYS 17 2HB CYS 17 4.269 4.127 2.180
116 H ASP 18 H ASP 18 5.302 1.928 -0.820
117 HA ASP 18 HA ASP 18 6.971 0.354 -0.822
118 1HB ASP 18 1HB ASP 18 8.513 2.564 -0.243
119 2HB ASP 18 2HB ASP 18 8.770 1.539 1.166
120 H ARG 19 H ARG 19 4.739 0.289 0.641
121 HA ARG 19 HA ARG 19 5.342 -0.638 3.330
122 1HB ARG 19 1HB ARG 19 2.747 -1.097 1.880
123 2HB ARG 19 2HB ARG 19 3.027 -0.957 3.609
124 1HG ARG 19 1HG ARG 19 3.828 1.475 2.406
125 2HG ARG 19 2HG ARG 19 2.239 1.047 1.767
126 1HD ARG 19 1HD ARG 19 2.867 0.972 4.703
127 2HD ARG 19 2HD ARG 19 2.308 2.438 3.899
128 HE ARG 19 HE ARG 19 0.339 0.942 3.195
129 1HH1 ARG 19 1HH1 ARG 19 2.130 0.546 6.184
130 2HH1 ARG 19 2HH1 ARG 19 0.742 0.041 7.107
131 1HH2 ARG 19 1HH2 ARG 19 -1.493 0.234 4.416
132 2HH2 ARG 19 2HH2 ARG 19 -1.303 -0.190 6.088
133 H SER 20 H SER 20 3.568 -2.931 3.274
134 HA SER 20 HA SER 20 4.250 -4.669 1.153
135 1HB SER 20 1HB SER 20 5.521 -6.186 3.064
136 2HB SER 20 2HB SER 20 6.325 -5.276 1.788
137 HG SER 20 HG SER 20 6.985 -3.823 3.199
138 H PHE 21 H PHE 21 2.685 -6.123 1.024
139 HA PHE 21 HA PHE 21 1.424 -7.091 3.493
140 1HB PHE 21 1HB PHE 21 -0.167 -6.454 1.007
141 2HB PHE 21 2HB PHE 21 -0.773 -6.810 2.619
142 HD1 PHE 21 HD1 PHE 21 0.954 -4.264 0.571
143 HD2 PHE 21 HD2 PHE 21 -1.081 -5.108 4.211
144 HE1 PHE 21 HE1 PHE 21 0.824 -1.859 1.049
145 HE2 PHE 21 HE2 PHE 21 -1.205 -2.700 4.701
146 HZ PHE 21 HZ PHE 21 -0.252 -1.073 3.118
147 H SER 22 H SER 22 0.466 -9.182 3.294
148 HA SER 22 HA SER 22 1.785 -10.799 1.252
149 1HB SER 22 1HB SER 22 0.247 -12.406 3.020
150 2HB SER 22 2HB SER 22 1.999 -12.220 2.970
151 HG SER 22 HG SER 22 0.782 -11.664 5.003
152 H ARG 23 H ARG 23 -1.238 -9.426 1.977
153 HA ARG 23 HA ARG 23 -2.606 -11.132 -0.010
154 1HB ARG 23 1HB ARG 23 -3.820 -9.518 2.250
155 2HB ARG 23 2HB ARG 23 -4.713 -10.482 1.083
156 1HG ARG 23 1HG ARG 23 -3.579 -12.498 1.924
157 2HG ARG 23 2HG ARG 23 -2.771 -11.509 3.140
158 1HD ARG 23 1HD ARG 23 -5.024 -12.821 3.648
159 2HD ARG 23 2HD ARG 23 -4.649 -11.271 4.395
160 HE ARG 23 HE ARG 23 -6.114 -10.234 2.723
161 1HH1 ARG 23 1HH1 ARG 23 -6.408 -13.694 3.231
162 2HH1 ARG 23 2HH1 ARG 23 -8.053 -13.758 2.657
163 1HH2 ARG 23 1HH2 ARG 23 -8.255 -10.309 1.999
164 2HH2 ARG 23 2HH2 ARG 23 -9.107 -11.828 1.944
165 H SER 24 H SER 24 -3.253 -10.285 -1.759
166 HA SER 24 HA SER 24 -2.573 -7.690 -2.543
167 1HB SER 24 1HB SER 24 -4.549 -8.569 -4.286
168 2HB SER 24 2HB SER 24 -2.818 -8.853 -4.437
169 HG SER 24 HG SER 24 -3.615 -10.853 -4.469
170 H ASP 25 H ASP 25 -5.422 -9.051 -1.117
171 HA ASP 25 HA ASP 25 -7.234 -6.925 -1.570
172 1HB ASP 25 1HB ASP 25 -8.524 -8.504 -0.663
173 2HB ASP 25 2HB ASP 25 -7.132 -9.400 -0.108
174 H HIS 26 H HIS 26 -4.966 -7.677 0.986
175 HA HIS 26 HA HIS 26 -5.542 -5.523 2.692
176 1HB HIS 26 1HB HIS 26 -3.436 -7.548 2.452
177 2HB HIS 26 2HB HIS 26 -2.872 -6.032 3.146
178 HD1 HIS 26 HD1 HIS 26 -2.619 -6.844 5.535
179 HD2 HIS 26 HD2 HIS 26 -6.414 -7.510 3.969
180 HE1 HIS 26 HE1 HIS 26 -4.038 -7.575 7.477
181 HE2 HIS 26 HE2 HIS 26 -6.372 -7.728 6.547
182 H LEU 27 H LEU 27 -3.421 -5.803 -0.098
183 HA LEU 27 HA LEU 27 -2.028 -3.367 0.102
184 1HB LEU 27 1HB LEU 27 -1.682 -5.219 -1.611
185 2HB LEU 27 2HB LEU 27 -3.075 -4.576 -2.457
186 HG LEU 27 HG LEU 27 -1.929 -2.853 -3.331
187 1HD1 LEU 27 1HD1 LEU 27 0.047 -2.634 -1.097
188 2HD1 LEU 27 2HD1 LEU 27 -0.481 -1.406 -2.249
189 3HD1 LEU 27 3HD1 LEU 27 -1.569 -1.939 -0.967
190 1HD2 LEU 27 1HD2 LEU 27 -0.616 -4.769 -3.977
191 2HD2 LEU 27 2HD2 LEU 27 0.414 -3.349 -3.779
192 3HD2 LEU 27 3HD2 LEU 27 0.383 -4.598 -2.532
193 H ALA 28 H ALA 28 -4.952 -4.107 -1.768
194 HA ALA 28 HA ALA 28 -5.539 -1.542 -2.596
195 1HB ALA 28 1HB ALA 28 -7.959 -3.049 -2.106
196 2HB ALA 28 2HB ALA 28 -7.225 -2.552 -3.631
197 3HB ALA 28 3HB ALA 28 -6.710 -4.048 -2.849
198 H LEU 29 H LEU 29 -6.445 -3.141 0.432
199 HA LEU 29 HA LEU 29 -8.315 -1.329 1.405
200 1HB LEU 29 1HB LEU 29 -6.267 -3.021 2.796
201 2HB LEU 29 2HB LEU 29 -7.378 -1.996 3.682
202 HG LEU 29 HG LEU 29 -8.341 -4.080 1.743
203 1HD1 LEU 29 1HD1 LEU 29 -8.668 -5.562 3.646
204 2HD1 LEU 29 2HD1 LEU 29 -6.959 -5.189 3.412
205 3HD1 LEU 29 3HD1 LEU 29 -7.868 -4.397 4.701
206 1HD2 LEU 29 1HD2 LEU 29 -10.195 -3.802 3.717
207 2HD2 LEU 29 2HD2 LEU 29 -9.558 -2.163 3.590
208 3HD2 LEU 29 3HD2 LEU 29 -10.232 -2.958 2.168
209 H HIS 30 H HIS 30 -4.784 -1.255 1.656
210 HA HIS 30 HA HIS 30 -4.728 1.230 3.085
211 1HB HIS 30 1HB HIS 30 -2.792 -0.011 3.461
212 2HB HIS 30 2HB HIS 30 -2.671 -0.523 1.783
213 HD1 HIS 30 HD1 HIS 30 -2.236 2.693 3.810
214 HD2 HIS 30 HD2 HIS 30 -0.872 0.853 0.330
215 HE1 HIS 30 HE1 HIS 30 -0.436 4.193 2.859
216 H ARG 31 H ARG 31 -4.425 0.238 -0.282
217 HA ARG 31 HA ARG 31 -3.555 2.783 -1.168
218 1HB ARG 31 1HB ARG 31 -4.603 0.390 -2.668
219 2HB ARG 31 2HB ARG 31 -4.009 1.846 -3.459
220 1HG ARG 31 1HG ARG 31 -1.887 1.440 -2.008
221 2HG ARG 31 2HG ARG 31 -2.509 -0.202 -1.886
222 1HD ARG 31 1HD ARG 31 -0.883 0.071 -3.719
223 2HD ARG 31 2HD ARG 31 -2.482 -0.441 -4.284
224 HE ARG 31 HE ARG 31 -1.347 2.268 -4.549
225 1HH1 ARG 31 1HH1 ARG 31 -3.609 -0.219 -5.556
226 2HH1 ARG 31 2HH1 ARG 31 -4.144 0.659 -6.962
227 1HH2 ARG 31 1HH2 ARG 31 -2.063 3.436 -6.381
228 2HH2 ARG 31 2HH2 ARG 31 -3.245 2.728 -7.442
229 H LYS 32 H LYS 32 -6.508 1.924 -0.058
230 HA LYS 32 HA LYS 32 -8.236 3.245 -1.890
231 1HB LYS 32 1HB LYS 32 -8.472 2.493 1.018
232 2HB LYS 32 2HB LYS 32 -9.719 3.441 0.223
233 1HG LYS 32 1HG LYS 32 -9.186 0.590 0.106
234 2HG LYS 32 2HG LYS 32 -10.649 1.488 -0.299
235 1HD LYS 32 1HD LYS 32 -9.550 2.114 -2.467
236 2HD LYS 32 2HD LYS 32 -8.252 0.990 -2.054
237 1HE LYS 32 1HE LYS 32 -9.650 -0.870 -2.216
238 2HE LYS 32 2HE LYS 32 -11.115 0.101 -2.077
239 1HZ LYS 32 1HZ LYS 32 -10.719 -0.702 -4.348
240 2HZ LYS 32 2HZ LYS 32 -9.258 0.162 -4.394
241 3HZ LYS 32 3HZ LYS 32 -10.730 0.992 -4.260
242 H ARG 33 H ARG 33 -6.077 4.243 0.614
243 HA ARG 33 HA ARG 33 -7.105 6.911 0.857
244 1HB ARG 33 1HB ARG 33 -5.206 5.311 2.228
245 2HB ARG 33 2HB ARG 33 -4.366 6.745 1.655
246 1HG ARG 33 1HG ARG 33 -5.757 8.186 2.867
247 2HG ARG 33 2HG ARG 33 -6.965 6.929 3.133
248 1HD ARG 33 1HD ARG 33 -4.730 5.829 4.260
249 2HD ARG 33 2HD ARG 33 -4.525 7.541 4.623
250 HE ARG 33 HE ARG 33 -7.163 6.630 5.218
251 1HH1 ARG 33 1HH1 ARG 33 -3.886 6.830 6.424
252 2HH1 ARG 33 2HH1 ARG 33 -4.345 6.630 8.087
253 1HH2 ARG 33 1HH2 ARG 33 -7.781 6.350 7.402
254 2HH2 ARG 33 2HH2 ARG 33 -6.558 6.318 8.641
255 H HIS 34 H HIS 34 -5.263 5.257 -1.413
256 HA HIS 34 HA HIS 34 -3.918 7.657 -2.403
257 1HB HIS 34 1HB HIS 34 -3.817 4.762 -3.275
258 2HB HIS 34 2HB HIS 34 -3.011 6.060 -4.149
259 HD1 HIS 34 HD1 HIS 34 -1.455 7.593 -2.244
260 HD2 HIS 34 HD2 HIS 34 -2.088 3.519 -1.669
261 HE1 HIS 34 HE1 HIS 34 0.372 6.792 -0.683
262 H MET 35 H MET 35 -6.862 6.193 -2.580
263 HA MET 35 HA MET 35 -7.414 6.990 -5.341
264 1HB MET 35 1HB MET 35 -9.032 5.505 -3.271
265 2HB MET 35 2HB MET 35 -9.722 6.055 -4.792
266 1HG MET 35 1HG MET 35 -7.303 4.634 -5.316
267 2HG MET 35 2HG MET 35 -8.335 3.665 -4.264
268 1HE MET 35 1HE MET 35 -7.593 5.079 -7.637
269 2HE MET 35 2HE MET 35 -9.027 4.811 -8.626
270 3HE MET 35 3HE MET 35 -9.001 6.123 -7.444
271 H LEU 36 H LEU 36 -6.848 8.758 -2.959
272 HA LEU 36 HA LEU 36 -9.286 10.394 -3.062
273 1HB LEU 36 1HB LEU 36 -7.066 10.543 -1.020
274 2HB LEU 36 2HB LEU 36 -8.581 11.423 -0.988
275 HG LEU 36 HG LEU 36 -8.463 8.418 -0.824
276 1HD1 LEU 36 1HD1 LEU 36 -8.041 10.481 1.276
277 2HD1 LEU 36 2HD1 LEU 36 -8.967 9.037 1.684
278 3HD1 LEU 36 3HD1 LEU 36 -7.311 8.887 1.093
279 1HD2 LEU 36 1HD2 LEU 36 -10.645 9.423 0.566
280 2HD2 LEU 36 2HD2 LEU 36 -10.552 10.419 -0.887
281 3HD2 LEU 36 3HD2 LEU 36 -10.665 8.664 -1.027
282 H VAL 37 H VAL 37 -7.936 10.528 -5.235
283 HA VAL 37 HA VAL 37 -5.877 12.577 -5.006
284 HB VAL 37 HB VAL 37 -5.588 12.006 -7.531
285 1HG1 VAL 37 1HG1 VAL 37 -4.274 11.261 -5.313
286 2HG1 VAL 37 2HG1 VAL 37 -4.776 9.678 -5.908
287 3HG1 VAL 37 3HG1 VAL 37 -3.814 10.741 -6.935
288 1HG2 VAL 37 1HG2 VAL 37 -6.768 9.381 -6.690
289 2HG2 VAL 37 2HG2 VAL 37 -7.763 10.628 -7.445
290 3HG2 VAL 37 3HG2 VAL 37 -6.381 9.956 -8.311
Start of MODEL 3
1 1H GLY 1 1H GLY 1 10.666 2.655 -1.752
2 2H GLY 1 2H GLY 1 10.748 4.067 -0.812
3 3H GLY 1 3H GLY 1 12.154 3.178 -1.128
4 1HA GLY 1 1HA GLY 1 10.584 4.852 -2.984
5 2HA GLY 1 2HA GLY 1 12.290 4.986 -2.570
6 H SER 2 H SER 2 9.907 2.949 -4.181
7 HA SER 2 HA SER 2 10.027 1.505 -5.924
8 1HB SER 2 1HB SER 2 12.474 3.136 -6.637
9 2HB SER 2 2HB SER 2 11.632 2.031 -7.723
10 HG SER 2 HG SER 2 10.331 4.210 -6.445
11 H THR 3 H THR 3 11.004 0.433 -3.609
12 HA THR 3 HA THR 3 13.583 -0.753 -3.951
13 HB THR 3 HB THR 3 11.421 -1.913 -2.213
14 HG1 THR 3 HG1 THR 3 11.319 -0.068 -1.200
15 1HG2 THR 3 1HG2 THR 3 13.809 -2.881 -2.544
16 2HG2 THR 3 2HG2 THR 3 13.165 -2.734 -0.909
17 3HG2 THR 3 3HG2 THR 3 14.311 -1.539 -1.517
18 H ARG 4 H ARG 4 14.092 -2.347 -5.279
19 HA ARG 4 HA ARG 4 13.940 -4.063 -6.758
20 1HB ARG 4 1HB ARG 4 11.625 -5.162 -5.187
21 2HB ARG 4 2HB ARG 4 12.882 -6.038 -6.048
22 1HG ARG 4 1HG ARG 4 13.829 -4.352 -3.839
23 2HG ARG 4 2HG ARG 4 12.799 -5.708 -3.373
24 1HD ARG 4 1HD ARG 4 15.221 -5.950 -5.147
25 2HD ARG 4 2HD ARG 4 15.238 -6.227 -3.406
26 HE ARG 4 HE ARG 4 13.829 -7.872 -5.403
27 1HH1 ARG 4 1HH1 ARG 4 15.108 -7.420 -2.169
28 2HH1 ARG 4 2HH1 ARG 4 14.878 -9.085 -1.708
29 1HH2 ARG 4 1HH2 ARG 4 13.559 -10.063 -4.822
30 2HH2 ARG 4 2HH2 ARG 4 14.027 -10.595 -3.229
31 H GLY 5 H GLY 5 12.820 -1.920 -7.778
32 1HA GLY 5 1HA GLY 5 11.401 -1.294 -9.490
33 2HA GLY 5 2HA GLY 5 10.683 -2.901 -9.446
34 H SER 6 H SER 6 8.845 -3.233 -8.329
35 HA SER 6 HA SER 6 7.897 -1.119 -6.541
36 1HB SER 6 1HB SER 6 6.030 -2.491 -8.472
37 2HB SER 6 2HB SER 6 5.745 -1.045 -7.512
38 HG SER 6 HG SER 6 7.303 0.036 -8.805
39 H THR 7 H THR 7 9.048 -3.944 -6.442
40 HA THR 7 HA THR 7 7.058 -5.009 -4.575
41 HB THR 7 HB THR 7 7.931 -7.339 -5.520
42 HG1 THR 7 HG1 THR 7 9.269 -6.590 -7.135
43 1HG2 THR 7 1HG2 THR 7 5.942 -7.425 -6.975
44 2HG2 THR 7 2HG2 THR 7 5.789 -5.673 -6.841
45 3HG2 THR 7 3HG2 THR 7 5.588 -6.687 -5.412
46 H GLY 8 H GLY 8 8.645 -3.930 -3.164
47 1HA GLY 8 1HA GLY 8 11.252 -5.060 -2.864
48 2HA GLY 8 2HA GLY 8 10.440 -3.991 -1.726
49 H ILE 9 H ILE 9 9.424 -4.838 0.029
50 HA ILE 9 HA ILE 9 9.911 -7.642 0.621
51 HB ILE 9 HB ILE 9 8.253 -5.860 2.359
52 1HG1 ILE 9 1HG1 ILE 9 11.190 -5.790 2.777
53 2HG1 ILE 9 2HG1 ILE 9 10.563 -4.833 1.439
54 1HG2 ILE 9 1HG2 ILE 9 8.450 -8.048 3.189
55 2HG2 ILE 9 2HG2 ILE 9 10.168 -8.134 2.796
56 3HG2 ILE 9 3HG2 ILE 9 9.616 -7.107 4.120
57 1HD1 ILE 9 1HD1 ILE 9 9.837 -3.259 2.820
58 2HD1 ILE 9 2HD1 ILE 9 9.002 -4.439 3.832
59 3HD1 ILE 9 3HD1 ILE 9 10.710 -4.094 4.104
60 H LYS 10 H LYS 10 8.137 -9.076 1.264
61 HA LYS 10 HA LYS 10 6.203 -10.170 0.877
62 1HB LYS 10 1HB LYS 10 5.490 -7.499 1.715
63 2HB LYS 10 2HB LYS 10 4.245 -8.200 0.687
64 1HG LYS 10 1HG LYS 10 3.527 -9.472 2.347
65 2HG LYS 10 2HG LYS 10 5.131 -10.163 2.565
66 1HD LYS 10 1HD LYS 10 4.357 -7.488 3.696
67 2HD LYS 10 2HD LYS 10 4.101 -8.998 4.573
68 1HE LYS 10 1HE LYS 10 6.786 -8.612 3.433
69 2HE LYS 10 2HE LYS 10 6.349 -7.517 4.743
70 1HZ LYS 10 1HZ LYS 10 5.947 -9.347 6.176
71 2HZ LYS 10 2HZ LYS 10 7.460 -9.607 5.457
72 3HZ LYS 10 3HZ LYS 10 6.107 -10.470 4.913
73 HA PRO 11 HA PRO 11 5.470 -10.506 -3.425
74 1HB PRO 11 1HB PRO 11 2.888 -11.473 -3.438
75 2HB PRO 11 2HB PRO 11 4.329 -12.457 -3.153
76 1HG PRO 11 1HG PRO 11 2.432 -11.258 -1.179
77 2HG PRO 11 2HG PRO 11 3.185 -12.864 -1.175
78 1HD PRO 11 1HD PRO 11 4.098 -10.894 0.392
79 2HD PRO 11 2HD PRO 11 5.208 -12.046 -0.379
80 H PHE 12 H PHE 12 3.263 -8.683 -1.449
81 HA PHE 12 HA PHE 12 2.572 -7.026 -3.769
82 1HB PHE 12 1HB PHE 12 0.705 -7.782 -1.510
83 2HB PHE 12 2HB PHE 12 0.308 -6.745 -2.881
84 HD1 PHE 12 HD1 PHE 12 0.754 -7.909 -5.242
85 HD2 PHE 12 HD2 PHE 12 0.021 -9.955 -1.585
86 HE1 PHE 12 HE1 PHE 12 0.010 -9.889 -6.502
87 HE2 PHE 12 HE2 PHE 12 -0.726 -11.934 -2.834
88 HZ PHE 12 HZ PHE 12 -0.732 -11.905 -5.297
89 H GLN 13 H GLN 13 4.051 -5.427 -3.208
90 HA GLN 13 HA GLN 13 3.744 -4.207 -0.562
91 1HB GLN 13 1HB GLN 13 5.906 -3.514 -0.694
92 2HB GLN 13 2HB GLN 13 6.027 -4.816 -1.870
93 1HG GLN 13 1HG GLN 13 6.041 -3.372 -3.664
94 2HG GLN 13 2HG GLN 13 5.276 -2.076 -2.757
95 1HE2 GLN 13 1HE2 GLN 13 6.984 -2.332 -0.473
96 2HE2 GLN 13 2HE2 GLN 13 8.504 -1.658 -0.936
97 H CYS 14 H CYS 14 3.726 -1.767 -0.548
98 HA CYS 14 HA CYS 14 1.842 -0.755 -2.487
99 1HB CYS 14 1HB CYS 14 1.650 0.048 -0.192
100 2HB CYS 14 2HB CYS 14 3.291 0.692 -0.275
101 HA PRO 15 HA PRO 15 5.199 0.783 -5.033
102 1HB PRO 15 1HB PRO 15 3.710 1.840 -6.995
103 2HB PRO 15 2HB PRO 15 3.880 0.089 -6.813
104 1HG PRO 15 1HG PRO 15 1.617 1.870 -5.999
105 2HG PRO 15 2HG PRO 15 1.565 0.258 -6.737
106 1HD PRO 15 1HD PRO 15 1.242 0.751 -4.044
107 2HD PRO 15 2HD PRO 15 1.779 -0.796 -4.724
108 H ASP 16 H ASP 16 2.955 2.470 -3.180
109 HA ASP 16 HA ASP 16 3.967 5.088 -4.048
110 1HB ASP 16 1HB ASP 16 1.400 4.088 -3.009
111 2HB ASP 16 2HB ASP 16 1.903 5.650 -2.391
112 H CYS 17 H CYS 17 3.401 3.047 -1.234
113 HA CYS 17 HA CYS 17 4.711 4.981 0.520
114 1HB CYS 17 1HB CYS 17 3.429 2.316 1.164
115 2HB CYS 17 2HB CYS 17 4.082 3.436 2.349
116 H ASP 18 H ASP 18 5.142 1.888 -0.928
117 HA ASP 18 HA ASP 18 6.917 0.448 -1.094
118 1HB ASP 18 1HB ASP 18 8.367 2.659 -0.435
119 2HB ASP 18 2HB ASP 18 8.616 1.669 1.000
120 H ARG 19 H ARG 19 4.671 0.309 0.432
121 HA ARG 19 HA ARG 19 5.243 -0.635 3.092
122 1HB ARG 19 1HB ARG 19 2.823 -0.394 1.361
123 2HB ARG 19 2HB ARG 19 2.764 -1.496 2.729
124 1HG ARG 19 1HG ARG 19 3.814 0.786 3.831
125 2HG ARG 19 2HG ARG 19 2.648 1.407 2.659
126 1HD ARG 19 1HD ARG 19 1.539 -0.829 4.072
127 2HD ARG 19 2HD ARG 19 2.140 0.368 5.217
128 HE ARG 19 HE ARG 19 -0.003 0.745 3.238
129 1HH1 ARG 19 1HH1 ARG 19 1.996 2.022 5.844
130 2HH1 ARG 19 2HH1 ARG 19 0.898 3.320 6.228
131 1HH2 ARG 19 1HH2 ARG 19 -1.459 2.489 3.806
132 2HH2 ARG 19 2HH2 ARG 19 -1.029 3.592 5.069
133 H SER 20 H SER 20 3.540 -2.930 3.150
134 HA SER 20 HA SER 20 4.365 -4.798 1.156
135 1HB SER 20 1HB SER 20 5.545 -6.254 3.029
136 2HB SER 20 2HB SER 20 6.449 -5.068 2.087
137 HG SER 20 HG SER 20 6.222 -3.600 3.802
138 H PHE 21 H PHE 21 2.756 -6.173 0.962
139 HA PHE 21 HA PHE 21 1.308 -7.056 3.362
140 1HB PHE 21 1HB PHE 21 -0.003 -6.257 0.752
141 2HB PHE 21 2HB PHE 21 -0.822 -6.827 2.203
142 HD1 PHE 21 HD1 PHE 21 -1.302 -5.374 3.998
143 HD2 PHE 21 HD2 PHE 21 1.100 -4.049 0.747
144 HE1 PHE 21 HE1 PHE 21 -1.488 -3.061 4.811
145 HE2 PHE 21 HE2 PHE 21 0.913 -1.736 1.551
146 HZ PHE 21 HZ PHE 21 -0.369 -1.239 3.587
147 H SER 22 H SER 22 0.677 -9.154 3.353
148 HA SER 22 HA SER 22 1.876 -10.876 1.392
149 1HB SER 22 1HB SER 22 0.076 -12.309 3.077
150 2HB SER 22 2HB SER 22 1.838 -12.273 3.155
151 HG SER 22 HG SER 22 1.235 -11.503 5.090
152 H ARG 23 H ARG 23 -1.188 -9.442 2.001
153 HA ARG 23 HA ARG 23 -2.391 -10.978 -0.202
154 1HB ARG 23 1HB ARG 23 -3.879 -9.537 1.994
155 2HB ARG 23 2HB ARG 23 -4.561 -10.591 0.767
156 1HG ARG 23 1HG ARG 23 -2.838 -12.296 1.912
157 2HG ARG 23 2HG ARG 23 -3.200 -11.248 3.292
158 1HD ARG 23 1HD ARG 23 -5.130 -12.828 1.613
159 2HD ARG 23 2HD ARG 23 -4.777 -13.031 3.328
160 HE ARG 23 HE ARG 23 -5.977 -10.525 2.369
161 1HH1 ARG 23 1HH1 ARG 23 -6.233 -13.463 4.266
162 2HH1 ARG 23 2HH1 ARG 23 -7.635 -12.919 5.137
163 1HH2 ARG 23 1HH2 ARG 23 -7.810 -9.830 3.452
164 2HH2 ARG 23 2HH2 ARG 23 -8.569 -10.851 4.646
165 H SER 24 H SER 24 -3.068 -9.902 -1.918
166 HA SER 24 HA SER 24 -2.415 -7.171 -2.321
167 1HB SER 24 1HB SER 24 -3.148 -9.347 -3.917
168 2HB SER 24 2HB SER 24 -4.449 -8.181 -4.133
169 HG SER 24 HG SER 24 -2.921 -6.638 -4.760
170 H ASP 25 H ASP 25 -5.198 -8.872 -1.176
171 HA ASP 25 HA ASP 25 -7.171 -6.933 -1.503
172 1HB ASP 25 1HB ASP 25 -8.341 -8.636 -0.668
173 2HB ASP 25 2HB ASP 25 -6.856 -9.474 -0.291
174 H HIS 26 H HIS 26 -4.824 -7.450 1.091
175 HA HIS 26 HA HIS 26 -5.768 -5.315 2.734
176 1HB HIS 26 1HB HIS 26 -3.512 -7.207 2.756
177 2HB HIS 26 2HB HIS 26 -3.152 -5.640 3.470
178 HD1 HIS 26 HD1 HIS 26 -3.147 -6.240 5.911
179 HD2 HIS 26 HD2 HIS 26 -6.561 -7.556 3.915
180 HE1 HIS 26 HE1 HIS 26 -4.687 -7.117 7.698
181 HE2 HIS 26 HE2 HIS 26 -6.708 -7.992 6.464
182 H LEU 27 H LEU 27 -3.432 -5.651 0.169
183 HA LEU 27 HA LEU 27 -2.118 -3.178 0.320
184 1HB LEU 27 1HB LEU 27 -1.615 -5.156 -1.207
185 2HB LEU 27 2HB LEU 27 -2.926 -4.591 -2.222
186 HG LEU 27 HG LEU 27 -1.693 -2.953 -3.136
187 1HD1 LEU 27 1HD1 LEU 27 -0.143 -1.518 -2.007
188 2HD1 LEU 27 2HD1 LEU 27 -1.605 -1.675 -1.032
189 3HD1 LEU 27 3HD1 LEU 27 -0.147 -2.564 -0.587
190 1HD2 LEU 27 1HD2 LEU 27 0.543 -4.560 -1.929
191 2HD2 LEU 27 2HD2 LEU 27 -0.315 -4.930 -3.426
192 3HD2 LEU 27 3HD2 LEU 27 0.669 -3.471 -3.313
193 H ALA 28 H ALA 28 -4.860 -4.112 -1.741
194 HA ALA 28 HA ALA 28 -5.462 -1.613 -2.756
195 1HB ALA 28 1HB ALA 28 -7.707 -3.491 -2.228
196 2HB ALA 28 2HB ALA 28 -7.311 -2.578 -3.684
197 3HB ALA 28 3HB ALA 28 -6.391 -4.025 -3.276
198 H LEU 29 H LEU 29 -6.596 -3.101 0.257
199 HA LEU 29 HA LEU 29 -8.592 -1.271 0.921
200 1HB LEU 29 1HB LEU 29 -6.736 -2.850 2.684
201 2HB LEU 29 2HB LEU 29 -8.087 -1.913 3.290
202 HG LEU 29 HG LEU 29 -8.427 -4.124 1.278
203 1HD1 LEU 29 1HD1 LEU 29 -9.339 -5.269 3.474
204 2HD1 LEU 29 2HD1 LEU 29 -7.646 -5.396 2.998
205 3HD1 LEU 29 3HD1 LEU 29 -8.130 -4.231 4.230
206 1HD2 LEU 29 1HD2 LEU 29 -10.460 -3.118 3.231
207 2HD2 LEU 29 2HD2 LEU 29 -10.179 -2.274 1.709
208 3HD2 LEU 29 3HD2 LEU 29 -10.700 -3.959 1.698
209 H HIS 30 H HIS 30 -5.148 -1.218 1.801
210 HA HIS 30 HA HIS 30 -5.323 1.325 3.090
211 1HB HIS 30 1HB HIS 30 -3.270 0.832 3.810
212 2HB HIS 30 2HB HIS 30 -3.412 -0.695 2.959
213 HD1 HIS 30 HD1 HIS 30 -1.789 -1.114 1.122
214 HD2 HIS 30 HD2 HIS 30 -1.912 2.878 2.262
215 HE1 HIS 30 HE1 HIS 30 0.118 0.032 -0.069
216 H ARG 31 H ARG 31 -4.773 0.263 -0.188
217 HA ARG 31 HA ARG 31 -3.684 2.754 -1.064
218 1HB ARG 31 1HB ARG 31 -4.719 0.362 -2.571
219 2HB ARG 31 2HB ARG 31 -4.133 1.816 -3.374
220 1HG ARG 31 1HG ARG 31 -2.050 1.400 -1.789
221 2HG ARG 31 2HG ARG 31 -2.633 -0.260 -1.880
222 1HD ARG 31 1HD ARG 31 -1.105 -0.107 -3.630
223 2HD ARG 31 2HD ARG 31 -2.677 0.097 -4.416
224 HE ARG 31 HE ARG 31 -0.770 2.270 -3.821
225 1HH1 ARG 31 1HH1 ARG 31 -3.325 0.873 -5.765
226 2HH1 ARG 31 2HH1 ARG 31 -3.370 2.208 -6.882
227 1HH2 ARG 31 1HH2 ARG 31 -0.825 4.038 -5.294
228 2HH2 ARG 31 2HH2 ARG 31 -1.962 3.997 -6.608
229 H LYS 32 H LYS 32 -6.681 2.087 -0.023
230 HA LYS 32 HA LYS 32 -8.266 3.579 -1.891
231 1HB LYS 32 1HB LYS 32 -8.632 2.348 0.738
232 2HB LYS 32 2HB LYS 32 -9.477 3.881 0.575
233 1HG LYS 32 1HG LYS 32 -11.108 2.605 -0.273
234 2HG LYS 32 2HG LYS 32 -10.150 2.698 -1.753
235 1HD LYS 32 1HD LYS 32 -8.959 0.619 -0.452
236 2HD LYS 32 2HD LYS 32 -10.646 0.429 0.036
237 1HE LYS 32 1HE LYS 32 -9.975 0.911 -2.834
238 2HE LYS 32 2HE LYS 32 -9.768 -0.702 -2.150
239 1HZ LYS 32 1HZ LYS 32 -11.984 -0.159 -3.229
240 2HZ LYS 32 2HZ LYS 32 -12.308 0.793 -1.865
241 3HZ LYS 32 3HZ LYS 32 -12.033 -0.874 -1.692
242 H ARG 33 H ARG 33 -6.068 4.255 0.667
243 HA ARG 33 HA ARG 33 -6.815 7.014 1.001
244 1HB ARG 33 1HB ARG 33 -4.178 5.808 1.809
245 2HB ARG 33 2HB ARG 33 -5.024 7.169 2.533
246 1HG ARG 33 1HG ARG 33 -6.131 4.377 2.598
247 2HG ARG 33 2HG ARG 33 -5.022 4.987 3.828
248 1HD ARG 33 1HD ARG 33 -6.832 5.747 4.881
249 2HD ARG 33 2HD ARG 33 -6.900 6.987 3.628
250 HE ARG 33 HE ARG 33 -8.674 5.887 2.637
251 1HH1 ARG 33 1HH1 ARG 33 -7.362 3.963 5.266
252 2HH1 ARG 33 2HH1 ARG 33 -8.708 2.855 5.291
253 1HH2 ARG 33 1HH2 ARG 33 -10.439 4.431 2.672
254 2HH2 ARG 33 2HH2 ARG 33 -10.467 3.141 3.844
255 H HIS 34 H HIS 34 -5.323 5.320 -1.422
256 HA HIS 34 HA HIS 34 -3.628 7.576 -2.219
257 1HB HIS 34 1HB HIS 34 -3.821 4.745 -3.271
258 2HB HIS 34 2HB HIS 34 -2.836 6.001 -4.020
259 HD1 HIS 34 HD1 HIS 34 -1.362 7.266 -1.786
260 HD2 HIS 34 HD2 HIS 34 -2.144 3.181 -1.854
261 HE1 HIS 34 HE1 HIS 34 0.269 6.199 -0.182
262 H MET 35 H MET 35 -6.703 6.512 -2.475
263 HA MET 35 HA MET 35 -7.179 7.593 -5.154
264 1HB MET 35 1HB MET 35 -9.102 6.473 -3.106
265 2HB MET 35 2HB MET 35 -9.554 7.046 -4.703
266 1HG MET 35 1HG MET 35 -8.133 5.300 -5.700
267 2HG MET 35 2HG MET 35 -7.774 4.704 -4.080
268 1HE MET 35 1HE MET 35 -9.779 3.444 -6.990
269 2HE MET 35 2HE MET 35 -11.416 4.002 -6.644
270 3HE MET 35 3HE MET 35 -10.121 5.172 -6.901
271 H LEU 36 H LEU 36 -7.867 8.143 -1.758
272 HA LEU 36 HA LEU 36 -8.260 10.995 -2.347
273 1HB LEU 36 1HB LEU 36 -9.488 9.941 0.121
274 2HB LEU 36 2HB LEU 36 -10.073 11.163 -0.990
275 HG LEU 36 HG LEU 36 -10.103 8.363 -1.968
276 1HD1 LEU 36 1HD1 LEU 36 -11.247 7.548 -0.246
277 2HD1 LEU 36 2HD1 LEU 36 -11.356 9.135 0.517
278 3HD1 LEU 36 3HD1 LEU 36 -12.552 8.650 -0.687
279 1HD2 LEU 36 1HD2 LEU 36 -10.883 10.393 -3.240
280 2HD2 LEU 36 2HD2 LEU 36 -12.051 9.078 -3.108
281 3HD2 LEU 36 3HD2 LEU 36 -12.211 10.507 -2.085
282 H VAL 37 H VAL 37 -5.981 11.179 -2.021
283 HA VAL 37 HA VAL 37 -4.758 10.246 0.370
284 HB VAL 37 HB VAL 37 -3.550 12.388 -1.363
285 1HG1 VAL 37 1HG1 VAL 37 -1.470 11.398 -0.726
286 2HG1 VAL 37 2HG1 VAL 37 -2.427 11.630 0.737
287 3HG1 VAL 37 3HG1 VAL 37 -2.288 10.024 0.018
288 1HG2 VAL 37 1HG2 VAL 37 -2.579 10.406 -2.677
289 2HG2 VAL 37 2HG2 VAL 37 -3.934 9.485 -2.023
290 3HG2 VAL 37 3HG2 VAL 37 -4.234 10.900 -3.032
Start of MODEL 4
1 1H GLY 1 1H GLY 1 6.303 6.869 -1.412
2 2H GLY 1 2H GLY 1 7.713 7.351 -2.217
3 3H GLY 1 3H GLY 1 7.260 8.117 -0.774
4 1HA GLY 1 1HA GLY 1 8.848 6.717 0.028
5 2HA GLY 1 2HA GLY 1 7.411 5.719 0.198
6 H SER 2 H SER 2 10.499 5.539 -0.644
7 HA SER 2 HA SER 2 10.061 3.196 -2.305
8 1HB SER 2 1HB SER 2 12.167 4.456 -3.639
9 2HB SER 2 2HB SER 2 10.521 4.251 -4.237
10 HG SER 2 HG SER 2 11.665 6.484 -2.911
11 H THR 3 H THR 3 11.036 1.788 -0.959
12 HA THR 3 HA THR 3 13.704 2.440 0.047
13 HB THR 3 HB THR 3 13.456 0.442 1.506
14 HG1 THR 3 HG1 THR 3 11.181 0.140 -0.040
15 1HG2 THR 3 1HG2 THR 3 12.445 2.924 1.903
16 2HG2 THR 3 2HG2 THR 3 12.436 1.646 3.117
17 3HG2 THR 3 3HG2 THR 3 11.001 1.937 2.132
18 H ARG 4 H ARG 4 11.937 0.446 -2.019
19 HA ARG 4 HA ARG 4 14.385 -0.549 -3.255
20 1HB ARG 4 1HB ARG 4 12.153 -2.324 -2.251
21 2HB ARG 4 2HB ARG 4 13.299 -2.843 -3.480
22 1HG ARG 4 1HG ARG 4 14.555 -1.746 -1.082
23 2HG ARG 4 2HG ARG 4 13.590 -3.195 -0.794
24 1HD ARG 4 1HD ARG 4 14.834 -4.176 -2.815
25 2HD ARG 4 2HD ARG 4 15.967 -2.844 -2.586
26 HE ARG 4 HE ARG 4 15.504 -5.088 -0.762
27 1HH1 ARG 4 1HH1 ARG 4 17.237 -2.159 -1.555
28 2HH1 ARG 4 2HH1 ARG 4 18.482 -2.413 -0.367
29 1HH2 ARG 4 1HH2 ARG 4 17.127 -5.441 0.813
30 2HH2 ARG 4 2HH2 ARG 4 18.442 -4.310 0.950
31 H GLY 5 H GLY 5 12.995 1.455 -4.294
32 1HA GLY 5 1HA GLY 5 11.989 2.115 -6.263
33 2HA GLY 5 2HA GLY 5 12.015 0.434 -6.778
34 H SER 6 H SER 6 10.537 1.379 -3.798
35 HA SER 6 HA SER 6 8.462 1.356 -2.987
36 1HB SER 6 1HB SER 6 7.594 1.777 -5.839
37 2HB SER 6 2HB SER 6 6.646 2.082 -4.389
38 HG SER 6 HG SER 6 8.022 3.742 -3.837
39 H THR 7 H THR 7 9.808 -1.031 -4.458
40 HA THR 7 HA THR 7 7.551 -2.817 -3.964
41 HB THR 7 HB THR 7 8.567 -4.250 -5.920
42 HG1 THR 7 HG1 THR 7 10.290 -2.980 -6.523
43 1HG2 THR 7 1HG2 THR 7 6.532 -2.184 -5.848
44 2HG2 THR 7 2HG2 THR 7 6.491 -3.775 -6.607
45 3HG2 THR 7 3HG2 THR 7 7.190 -2.404 -7.468
46 H GLY 8 H GLY 8 8.825 -2.818 -1.949
47 1HA GLY 8 1HA GLY 8 11.348 -4.258 -2.116
48 2HA GLY 8 2HA GLY 8 10.670 -3.496 -0.688
49 H ILE 9 H ILE 9 9.352 -4.618 0.641
50 HA ILE 9 HA ILE 9 9.782 -7.473 0.588
51 HB ILE 9 HB ILE 9 8.111 -6.047 2.637
52 1HG1 ILE 9 1HG1 ILE 9 11.124 -6.210 2.705
53 2HG1 ILE 9 2HG1 ILE 9 10.247 -4.774 2.187
54 1HG2 ILE 9 1HG2 ILE 9 8.701 -8.647 2.426
55 2HG2 ILE 9 2HG2 ILE 9 10.112 -8.107 3.338
56 3HG2 ILE 9 3HG2 ILE 9 8.493 -7.833 3.977
57 1HD1 ILE 9 1HD1 ILE 9 11.040 -5.389 4.757
58 2HD1 ILE 9 2HD1 ILE 9 9.893 -4.138 4.278
59 3HD1 ILE 9 3HD1 ILE 9 9.309 -5.736 4.745
60 H LYS 10 H LYS 10 8.069 -9.041 0.997
61 HA LYS 10 HA LYS 10 6.139 -10.116 0.528
62 1HB LYS 10 1HB LYS 10 5.392 -7.546 1.644
63 2HB LYS 10 2HB LYS 10 4.135 -8.202 0.598
64 1HG LYS 10 1HG LYS 10 3.521 -9.636 2.163
65 2HG LYS 10 2HG LYS 10 5.156 -10.292 2.253
66 1HD LYS 10 1HD LYS 10 4.931 -7.708 3.557
67 2HD LYS 10 2HD LYS 10 3.829 -8.904 4.244
68 1HE LYS 10 1HE LYS 10 5.839 -10.471 4.310
69 2HE LYS 10 2HE LYS 10 6.821 -9.037 4.013
70 1HZ LYS 10 1HZ LYS 10 6.127 -9.911 6.442
71 2HZ LYS 10 2HZ LYS 10 4.894 -8.780 6.162
72 3HZ LYS 10 3HZ LYS 10 6.520 -8.297 6.092
73 HA PRO 11 HA PRO 11 5.395 -9.911 -3.769
74 1HB PRO 11 1HB PRO 11 2.979 -11.189 -3.914
75 2HB PRO 11 2HB PRO 11 4.519 -12.024 -3.689
76 1HG PRO 11 1HG PRO 11 2.473 -11.240 -1.651
77 2HG PRO 11 2HG PRO 11 3.379 -12.758 -1.799
78 1HD PRO 11 1HD PRO 11 4.075 -10.875 -0.022
79 2HD PRO 11 2HD PRO 11 5.296 -11.846 -0.869
80 H PHE 12 H PHE 12 3.124 -8.607 -1.508
81 HA PHE 12 HA PHE 12 2.027 -6.872 -3.616
82 1HB PHE 12 1HB PHE 12 0.517 -7.927 -1.222
83 2HB PHE 12 2HB PHE 12 -0.139 -6.954 -2.537
84 HD1 PHE 12 HD1 PHE 12 -0.035 -10.145 -1.275
85 HD2 PHE 12 HD2 PHE 12 0.409 -8.068 -4.960
86 HE1 PHE 12 HE1 PHE 12 -0.622 -12.196 -2.493
87 HE2 PHE 12 HE2 PHE 12 -0.172 -10.120 -6.190
88 HZ PHE 12 HZ PHE 12 -0.686 -12.189 -4.956
89 H GLN 13 H GLN 13 3.628 -5.301 -2.974
90 HA GLN 13 HA GLN 13 3.144 -4.073 -0.360
91 1HB GLN 13 1HB GLN 13 5.348 -3.239 -0.476
92 2HB GLN 13 2HB GLN 13 5.427 -4.898 -1.062
93 1HG GLN 13 1HG GLN 13 5.065 -2.687 -3.001
94 2HG GLN 13 2HG GLN 13 6.655 -3.009 -2.321
95 1HE2 GLN 13 1HE2 GLN 13 7.350 -5.326 -2.446
96 2HE2 GLN 13 2HE2 GLN 13 6.990 -6.177 -3.910
97 H CYS 14 H CYS 14 3.218 -1.656 -0.325
98 HA CYS 14 HA CYS 14 1.511 -0.593 -2.360
99 1HB CYS 14 1HB CYS 14 1.218 0.239 -0.106
100 2HB CYS 14 2HB CYS 14 2.898 0.773 -0.043
101 HA PRO 15 HA PRO 15 4.943 0.732 -4.910
102 1HB PRO 15 1HB PRO 15 3.489 1.698 -6.957
103 2HB PRO 15 2HB PRO 15 3.666 -0.039 -6.675
104 1HG PRO 15 1HG PRO 15 1.383 1.767 -5.996
105 2HG PRO 15 2HG PRO 15 1.351 0.119 -6.649
106 1HD PRO 15 1HD PRO 15 0.961 0.735 -4.002
107 2HD PRO 15 2HD PRO 15 1.564 -0.831 -4.581
108 H ASP 16 H ASP 16 2.895 2.553 -3.072
109 HA ASP 16 HA ASP 16 3.854 5.109 -4.154
110 1HB ASP 16 1HB ASP 16 1.374 4.218 -2.845
111 2HB ASP 16 2HB ASP 16 1.981 5.771 -2.299
112 H CYS 17 H CYS 17 3.449 3.233 -1.204
113 HA CYS 17 HA CYS 17 5.176 5.110 0.237
114 1HB CYS 17 1HB CYS 17 3.539 2.839 1.367
115 2HB CYS 17 2HB CYS 17 4.359 4.102 2.280
116 H ASP 18 H ASP 18 4.947 1.829 -0.852
117 HA ASP 18 HA ASP 18 6.468 0.153 -1.063
118 1HB ASP 18 1HB ASP 18 8.228 2.083 -1.162
119 2HB ASP 18 2HB ASP 18 8.569 1.621 0.504
120 H ARG 19 H ARG 19 4.589 -0.047 0.666
121 HA ARG 19 HA ARG 19 5.617 -0.753 3.294
122 1HB ARG 19 1HB ARG 19 2.849 -1.480 2.501
123 2HB ARG 19 2HB ARG 19 3.444 -0.809 4.013
124 1HG ARG 19 1HG ARG 19 3.821 1.208 2.130
125 2HG ARG 19 2HG ARG 19 2.241 0.514 1.759
126 1HD ARG 19 1HD ARG 19 3.082 1.340 4.528
127 2HD ARG 19 2HD ARG 19 2.244 2.418 3.411
128 HE ARG 19 HE ARG 19 0.372 0.815 3.452
129 1HH1 ARG 19 1HH1 ARG 19 2.779 0.662 6.007
130 2HH1 ARG 19 2HH1 ARG 19 1.702 -0.061 7.167
131 1HH2 ARG 19 1HH2 ARG 19 -1.072 -0.101 5.031
132 2HH2 ARG 19 2HH2 ARG 19 -0.482 -0.452 6.622
133 H SER 20 H SER 20 3.610 -3.024 3.408
134 HA SER 20 HA SER 20 4.368 -4.904 1.414
135 1HB SER 20 1HB SER 20 5.384 -6.424 3.391
136 2HB SER 20 2HB SER 20 6.387 -5.416 2.350
137 HG SER 20 HG SER 20 6.545 -3.902 3.933
138 H PHE 21 H PHE 21 2.685 -6.200 1.182
139 HA PHE 21 HA PHE 21 1.183 -7.029 3.569
140 1HB PHE 21 1HB PHE 21 -0.200 -6.373 0.972
141 2HB PHE 21 2HB PHE 21 -0.917 -6.600 2.562
142 HD1 PHE 21 HD1 PHE 21 -1.240 -4.784 4.011
143 HD2 PHE 21 HD2 PHE 21 1.163 -4.312 0.530
144 HE1 PHE 21 HE1 PHE 21 -1.214 -2.349 4.360
145 HE2 PHE 21 HE2 PHE 21 1.188 -1.880 0.871
146 HZ PHE 21 HZ PHE 21 0.007 -0.898 2.789
147 H SER 22 H SER 22 0.574 -9.163 3.544
148 HA SER 22 HA SER 22 1.819 -10.842 1.595
149 1HB SER 22 1HB SER 22 -0.188 -12.133 3.295
150 2HB SER 22 2HB SER 22 1.546 -12.435 3.176
151 HG SER 22 HG SER 22 1.921 -11.118 4.798
152 H ARG 23 H ARG 23 -1.294 -9.427 2.054
153 HA ARG 23 HA ARG 23 -2.426 -10.992 -0.185
154 1HB ARG 23 1HB ARG 23 -3.900 -9.428 1.948
155 2HB ARG 23 2HB ARG 23 -4.629 -10.410 0.685
156 1HG ARG 23 1HG ARG 23 -3.667 -12.413 1.662
157 2HG ARG 23 2HG ARG 23 -2.887 -11.439 2.913
158 1HD ARG 23 1HD ARG 23 -5.050 -12.578 3.569
159 2HD ARG 23 2HD ARG 23 -4.952 -10.847 3.884
160 HE ARG 23 HE ARG 23 -6.624 -10.483 2.345
161 1HH1 ARG 23 1HH1 ARG 23 -5.413 -13.750 1.966
162 2HH1 ARG 23 2HH1 ARG 23 -6.772 -14.286 1.028
163 1HH2 ARG 23 1HH2 ARG 23 -8.422 -11.190 1.107
164 2HH2 ARG 23 2HH2 ARG 23 -8.466 -12.823 0.514
165 H SER 24 H SER 24 -3.111 -10.064 -1.906
166 HA SER 24 HA SER 24 -2.390 -7.414 -2.565
167 1HB SER 24 1HB SER 24 -4.276 -8.225 -4.403
168 2HB SER 24 2HB SER 24 -2.549 -8.554 -4.497
169 HG SER 24 HG SER 24 -4.492 -10.304 -4.311
170 H ASP 25 H ASP 25 -5.186 -8.918 -1.213
171 HA ASP 25 HA ASP 25 -7.064 -6.863 -1.599
172 1HB ASP 25 1HB ASP 25 -8.324 -8.509 -0.787
173 2HB ASP 25 2HB ASP 25 -6.900 -9.409 -0.323
174 H HIS 26 H HIS 26 -4.685 -7.547 0.917
175 HA HIS 26 HA HIS 26 -5.439 -5.421 2.656
176 1HB HIS 26 1HB HIS 26 -3.167 -7.313 2.436
177 2HB HIS 26 2HB HIS 26 -2.835 -5.801 3.272
178 HD1 HIS 26 HD1 HIS 26 -2.689 -6.683 5.629
179 HD2 HIS 26 HD2 HIS 26 -6.182 -7.829 3.686
180 HE1 HIS 26 HE1 HIS 26 -4.126 -7.757 7.390
181 HE2 HIS 26 HE2 HIS 26 -6.105 -8.667 6.132
182 H LEU 27 H LEU 27 -3.278 -5.738 -0.069
183 HA LEU 27 HA LEU 27 -1.888 -3.309 0.040
184 1HB LEU 27 1HB LEU 27 -1.600 -5.239 -1.606
185 2HB LEU 27 2HB LEU 27 -2.972 -4.582 -2.472
186 HG LEU 27 HG LEU 27 -1.762 -2.946 -3.424
187 1HD1 LEU 27 1HD1 LEU 27 0.172 -2.711 -1.146
188 2HD1 LEU 27 2HD1 LEU 27 -0.219 -1.527 -2.396
189 3HD1 LEU 27 3HD1 LEU 27 -1.397 -1.903 -1.137
190 1HD2 LEU 27 1HD2 LEU 27 0.309 -4.928 -2.573
191 2HD2 LEU 27 2HD2 LEU 27 -0.484 -4.750 -4.140
192 3HD2 LEU 27 3HD2 LEU 27 0.697 -3.551 -3.608
193 H ALA 28 H ALA 28 -4.761 -4.061 -1.901
194 HA ALA 28 HA ALA 28 -5.332 -1.480 -2.715
195 1HB ALA 28 1HB ALA 28 -6.889 -3.999 -2.526
196 2HB ALA 28 2HB ALA 28 -7.777 -2.502 -2.808
197 3HB ALA 28 3HB ALA 28 -6.511 -3.001 -3.930
198 H LEU 29 H LEU 29 -6.339 -3.147 0.237
199 HA LEU 29 HA LEU 29 -8.273 -1.334 1.110
200 1HB LEU 29 1HB LEU 29 -6.374 -3.042 2.703
201 2HB LEU 29 2HB LEU 29 -7.715 -2.155 3.400
202 HG LEU 29 HG LEU 29 -7.921 -4.399 1.393
203 1HD1 LEU 29 1HD1 LEU 29 -7.906 -4.280 4.299
204 2HD1 LEU 29 2HD1 LEU 29 -9.351 -5.054 3.649
205 3HD1 LEU 29 3HD1 LEU 29 -7.754 -5.666 3.218
206 1HD2 LEU 29 1HD2 LEU 29 -10.109 -2.850 2.768
207 2HD2 LEU 29 2HD2 LEU 29 -9.650 -2.676 1.073
208 3HD2 LEU 29 3HD2 LEU 29 -10.318 -4.202 1.655
209 H HIS 30 H HIS 30 -4.769 -1.365 1.709
210 HA HIS 30 HA HIS 30 -4.819 1.072 3.217
211 1HB HIS 30 1HB HIS 30 -2.909 -0.126 3.737
212 2HB HIS 30 2HB HIS 30 -2.673 -0.684 2.087
213 HD1 HIS 30 HD1 HIS 30 -2.151 2.423 4.214
214 HD2 HIS 30 HD2 HIS 30 -0.952 0.774 0.584
215 HE1 HIS 30 HE1 HIS 30 -0.380 3.971 3.265
216 H ARG 31 H ARG 31 -4.370 0.196 -0.145
217 HA ARG 31 HA ARG 31 -3.414 2.753 -0.941
218 1HB ARG 31 1HB ARG 31 -4.440 0.381 -2.488
219 2HB ARG 31 2HB ARG 31 -3.923 1.869 -3.276
220 1HG ARG 31 1HG ARG 31 -1.759 1.512 -1.847
221 2HG ARG 31 2HG ARG 31 -2.309 -0.161 -1.814
222 1HD ARG 31 1HD ARG 31 -0.970 -0.161 -3.680
223 2HD ARG 31 2HD ARG 31 -2.555 0.165 -4.388
224 HE ARG 31 HE ARG 31 -0.542 2.255 -3.835
225 1HH1 ARG 31 1HH1 ARG 31 -2.957 0.784 -5.887
226 2HH1 ARG 31 2HH1 ARG 31 -2.939 2.071 -7.058
227 1HH2 ARG 31 1HH2 ARG 31 -0.469 3.951 -5.410
228 2HH2 ARG 31 2HH2 ARG 31 -1.526 3.853 -6.797
229 H LYS 32 H LYS 32 -6.349 2.009 0.186
230 HA LYS 32 HA LYS 32 -8.180 3.167 -1.605
231 1HB LYS 32 1HB LYS 32 -8.171 2.235 1.116
232 2HB LYS 32 2HB LYS 32 -9.025 3.767 1.019
233 1HG LYS 32 1HG LYS 32 -10.493 1.796 0.767
234 2HG LYS 32 2HG LYS 32 -10.540 2.891 -0.618
235 1HD LYS 32 1HD LYS 32 -9.536 1.398 -2.005
236 2HD LYS 32 2HD LYS 32 -8.571 0.679 -0.713
237 1HE LYS 32 1HE LYS 32 -9.999 -1.034 -0.822
238 2HE LYS 32 2HE LYS 32 -11.143 0.025 -0.001
239 1HZ LYS 32 1HZ LYS 32 -11.038 0.386 -2.861
240 2HZ LYS 32 2HZ LYS 32 -12.380 0.238 -1.836
241 3HZ LYS 32 3HZ LYS 32 -11.573 -1.150 -2.385
242 H ARG 33 H ARG 33 -5.965 4.536 0.724
243 HA ARG 33 HA ARG 33 -7.036 7.202 0.560
244 1HB ARG 33 1HB ARG 33 -5.162 7.852 1.947
245 2HB ARG 33 2HB ARG 33 -5.870 6.373 2.580
246 1HG ARG 33 1HG ARG 33 -4.060 5.080 1.950
247 2HG ARG 33 2HG ARG 33 -3.528 6.237 0.729
248 1HD ARG 33 1HD ARG 33 -1.975 6.580 2.392
249 2HD ARG 33 2HD ARG 33 -3.178 7.811 2.773
250 HE ARG 33 HE ARG 33 -4.030 5.795 4.293
251 1HH1 ARG 33 1HH1 ARG 33 -0.759 6.926 3.759
252 2HH1 ARG 33 2HH1 ARG 33 -0.246 6.608 5.390
253 1HH2 ARG 33 1HH2 ARG 33 -3.363 5.376 6.444
254 2HH2 ARG 33 2HH2 ARG 33 -1.726 5.735 6.916
255 H HIS 34 H HIS 34 -5.308 5.348 -1.550
256 HA HIS 34 HA HIS 34 -3.798 7.609 -2.652
257 1HB HIS 34 1HB HIS 34 -3.650 4.646 -3.258
258 2HB HIS 34 2HB HIS 34 -2.692 5.881 -4.071
259 HD1 HIS 34 HD1 HIS 34 -1.421 7.491 -1.982
260 HD2 HIS 34 HD2 HIS 34 -2.132 3.428 -1.426
261 HE1 HIS 34 HE1 HIS 34 0.164 6.722 -0.165
262 H MET 35 H MET 35 -6.785 6.465 -2.853
263 HA MET 35 HA MET 35 -7.027 6.671 -5.767
264 1HB MET 35 1HB MET 35 -9.242 6.015 -3.832
265 2HB MET 35 2HB MET 35 -9.201 5.727 -5.564
266 1HG MET 35 1HG MET 35 -7.256 4.398 -3.718
267 2HG MET 35 2HG MET 35 -8.869 3.741 -3.987
268 1HE MET 35 1HE MET 35 -5.292 2.685 -6.202
269 2HE MET 35 2HE MET 35 -5.293 4.426 -5.912
270 3HE MET 35 3HE MET 35 -5.552 3.310 -4.572
271 H LEU 36 H LEU 36 -6.466 8.893 -3.906
272 HA LEU 36 HA LEU 36 -8.560 10.699 -4.849
273 1HB LEU 36 1HB LEU 36 -7.677 11.566 -2.265
274 2HB LEU 36 2HB LEU 36 -9.309 11.245 -2.817
275 HG LEU 36 HG LEU 36 -7.766 8.834 -2.142
276 1HD1 LEU 36 1HD1 LEU 36 -8.587 9.613 0.363
277 2HD1 LEU 36 2HD1 LEU 36 -6.923 9.600 -0.223
278 3HD1 LEU 36 3HD1 LEU 36 -7.873 11.083 -0.298
279 1HD2 LEU 36 1HD2 LEU 36 -10.321 9.495 -0.831
280 2HD2 LEU 36 2HD2 LEU 36 -10.364 9.395 -2.590
281 3HD2 LEU 36 3HD2 LEU 36 -9.807 8.015 -1.641
282 H VAL 37 H VAL 37 -6.702 10.995 -6.371
283 HA VAL 37 HA VAL 37 -4.358 12.302 -5.272
284 HB VAL 37 HB VAL 37 -5.034 11.878 -8.185
285 1HG1 VAL 37 1HG1 VAL 37 -2.932 13.243 -6.897
286 2HG1 VAL 37 2HG1 VAL 37 -2.249 11.755 -7.555
287 3HG1 VAL 37 3HG1 VAL 37 -3.100 12.880 -8.614
288 1HG2 VAL 37 1HG2 VAL 37 -4.227 9.966 -6.136
289 2HG2 VAL 37 2HG2 VAL 37 -4.872 9.690 -7.754
290 3HG2 VAL 37 3HG2 VAL 37 -3.148 9.990 -7.530
Start of MODEL 5
1 1H GLY 1 1H GLY 1 9.959 2.004 -5.535
2 2H GLY 1 2H GLY 1 9.751 3.564 -4.903
3 3H GLY 1 3H GLY 1 9.626 2.212 -3.883
4 1HA GLY 1 1HA GLY 1 11.946 1.696 -4.205
5 2HA GLY 1 2HA GLY 1 12.086 3.065 -5.299
6 H SER 2 H SER 2 10.433 2.772 -2.144
7 HA SER 2 HA SER 2 11.690 5.232 -1.274
8 1HB SER 2 1HB SER 2 10.182 3.586 0.678
9 2HB SER 2 2HB SER 2 10.100 5.317 0.361
10 HG SER 2 HG SER 2 8.300 3.717 -0.314
11 H THR 3 H THR 3 11.991 1.793 -0.702
12 HA THR 3 HA THR 3 13.546 0.534 0.381
13 HB THR 3 HB THR 3 15.528 2.755 0.318
14 HG1 THR 3 HG1 THR 3 14.103 1.744 -1.901
15 1HG2 THR 3 1HG2 THR 3 16.720 0.864 0.676
16 2HG2 THR 3 2HG2 THR 3 16.566 0.668 -1.069
17 3HG2 THR 3 3HG2 THR 3 15.457 -0.173 0.013
18 H ARG 4 H ARG 4 15.774 1.912 1.977
19 HA ARG 4 HA ARG 4 16.242 2.394 4.134
20 1HB ARG 4 1HB ARG 4 14.003 4.100 3.436
21 2HB ARG 4 2HB ARG 4 13.993 3.704 5.149
22 1HG ARG 4 1HG ARG 4 16.565 4.559 3.950
23 2HG ARG 4 2HG ARG 4 15.314 5.780 4.186
24 1HD ARG 4 1HD ARG 4 16.191 5.942 6.249
25 2HD ARG 4 2HD ARG 4 15.231 4.497 6.569
26 HE ARG 4 HE ARG 4 18.089 4.428 5.809
27 1HH1 ARG 4 1HH1 ARG 4 15.367 3.224 7.668
28 2HH1 ARG 4 2HH1 ARG 4 16.311 2.025 8.502
29 1HH2 ARG 4 1HH2 ARG 4 19.333 2.864 6.920
30 2HH2 ARG 4 2HH2 ARG 4 18.565 1.831 8.092
31 H GLY 5 H GLY 5 15.622 -0.099 3.957
32 1HA GLY 5 1HA GLY 5 15.212 -1.666 5.731
33 2HA GLY 5 2HA GLY 5 13.937 -0.608 6.321
34 H SER 6 H SER 6 12.357 -0.138 4.265
35 HA SER 6 HA SER 6 11.170 -2.731 3.780
36 1HB SER 6 1HB SER 6 9.728 -0.625 2.506
37 2HB SER 6 2HB SER 6 9.282 -1.542 3.945
38 HG SER 6 HG SER 6 9.824 0.979 3.866
39 H THR 7 H THR 7 13.003 -3.362 2.358
40 HA THR 7 HA THR 7 13.111 -2.118 -0.247
41 HB THR 7 HB THR 7 14.514 -4.512 -0.395
42 HG1 THR 7 HG1 THR 7 15.799 -4.097 1.699
43 1HG2 THR 7 1HG2 THR 7 16.346 -2.608 0.479
44 2HG2 THR 7 2HG2 THR 7 15.054 -1.671 -0.268
45 3HG2 THR 7 3HG2 THR 7 15.874 -2.930 -1.190
46 H GLY 8 H GLY 8 10.770 -2.552 -0.562
47 1HA GLY 8 1HA GLY 8 9.046 -3.683 -1.550
48 2HA GLY 8 2HA GLY 8 10.310 -4.361 -2.561
49 H ILE 9 H ILE 9 9.389 -4.796 0.846
50 HA ILE 9 HA ILE 9 9.833 -7.641 0.663
51 HB ILE 9 HB ILE 9 8.413 -6.316 2.947
52 1HG1 ILE 9 1HG1 ILE 9 11.397 -6.406 2.930
53 2HG1 ILE 9 2HG1 ILE 9 10.591 -5.089 2.083
54 1HG2 ILE 9 1HG2 ILE 9 8.570 -8.504 3.522
55 2HG2 ILE 9 2HG2 ILE 9 9.970 -8.784 2.486
56 3HG2 ILE 9 3HG2 ILE 9 10.177 -8.004 4.054
57 1HD1 ILE 9 1HD1 ILE 9 11.300 -4.749 4.527
58 2HD1 ILE 9 2HD1 ILE 9 9.693 -4.219 4.029
59 3HD1 ILE 9 3HD1 ILE 9 9.887 -5.732 4.914
60 H LYS 10 H LYS 10 8.137 -9.212 1.236
61 HA LYS 10 HA LYS 10 6.140 -10.223 0.959
62 1HB LYS 10 1HB LYS 10 5.448 -7.535 1.923
63 2HB LYS 10 2HB LYS 10 4.140 -8.378 1.098
64 1HG LYS 10 1HG LYS 10 3.786 -9.698 2.849
65 2HG LYS 10 2HG LYS 10 5.495 -10.128 2.949
66 1HD LYS 10 1HD LYS 10 5.567 -7.610 3.915
67 2HD LYS 10 2HD LYS 10 3.956 -8.104 4.437
68 1HE LYS 10 1HE LYS 10 4.937 -10.102 5.492
69 2HE LYS 10 2HE LYS 10 6.540 -9.546 5.014
70 1HZ LYS 10 1HZ LYS 10 4.694 -8.017 6.766
71 2HZ LYS 10 2HZ LYS 10 6.297 -7.619 6.394
72 3HZ LYS 10 3HZ LYS 10 5.963 -8.989 7.331
73 HA PRO 11 HA PRO 11 5.302 -10.230 -3.295
74 1HB PRO 11 1HB PRO 11 2.719 -11.208 -3.323
75 2HB PRO 11 2HB PRO 11 4.170 -12.194 -3.130
76 1HG PRO 11 1HG PRO 11 2.318 -11.122 -1.045
77 2HG PRO 11 2HG PRO 11 3.059 -12.729 -1.161
78 1HD PRO 11 1HD PRO 11 4.030 -10.893 0.511
79 2HD PRO 11 2HD PRO 11 5.122 -11.962 -0.398
80 H PHE 12 H PHE 12 3.161 -8.458 -1.206
81 HA PHE 12 HA PHE 12 2.378 -6.798 -3.499
82 1HB PHE 12 1HB PHE 12 0.614 -7.699 -1.214
83 2HB PHE 12 2HB PHE 12 0.162 -6.475 -2.398
84 HD1 PHE 12 HD1 PHE 12 0.097 -9.905 -1.610
85 HD2 PHE 12 HD2 PHE 12 0.271 -7.204 -4.891
86 HE1 PHE 12 HE1 PHE 12 -0.732 -11.673 -3.103
87 HE2 PHE 12 HE2 PHE 12 -0.559 -8.970 -6.393
88 HZ PHE 12 HZ PHE 12 -1.058 -11.209 -5.498
89 H GLN 13 H GLN 13 3.961 -5.293 -2.993
90 HA GLN 13 HA GLN 13 3.704 -3.903 -0.431
91 1HB GLN 13 1HB GLN 13 5.880 -3.040 -0.835
92 2HB GLN 13 2HB GLN 13 5.928 -4.740 -1.288
93 1HG GLN 13 1HG GLN 13 5.204 -3.380 -3.600
94 2HG GLN 13 2HG GLN 13 6.485 -2.419 -2.867
95 1HE2 GLN 13 1HE2 GLN 13 6.085 -5.930 -2.705
96 2HE2 GLN 13 2HE2 GLN 13 7.545 -6.309 -3.543
97 H CYS 14 H CYS 14 3.474 -1.570 -0.436
98 HA CYS 14 HA CYS 14 1.710 -0.624 -2.456
99 1HB CYS 14 1HB CYS 14 1.463 0.298 -0.225
100 2HB CYS 14 2HB CYS 14 3.121 0.901 -0.247
101 HA PRO 15 HA PRO 15 4.931 0.721 -5.204
102 1HB PRO 15 1HB PRO 15 3.364 1.731 -7.146
103 2HB PRO 15 2HB PRO 15 3.528 -0.009 -6.879
104 1HG PRO 15 1HG PRO 15 1.322 1.834 -6.068
105 2HG PRO 15 2HG PRO 15 1.229 0.176 -6.687
106 1HD PRO 15 1HD PRO 15 1.031 0.862 -4.026
107 2HD PRO 15 2HD PRO 15 1.532 -0.735 -4.613
108 H ASP 16 H ASP 16 3.044 2.614 -3.264
109 HA ASP 16 HA ASP 16 4.231 5.091 -4.340
110 1HB ASP 16 1HB ASP 16 1.706 4.975 -4.195
111 2HB ASP 16 2HB ASP 16 1.891 4.941 -2.443
112 H CYS 17 H CYS 17 3.577 3.255 -1.407
113 HA CYS 17 HA CYS 17 5.323 5.058 0.110
114 1HB CYS 17 1HB CYS 17 3.581 2.834 1.174
115 2HB CYS 17 2HB CYS 17 4.383 4.091 2.108
116 H ASP 18 H ASP 18 5.040 1.782 -0.983
117 HA ASP 18 HA ASP 18 6.532 0.064 -1.097
118 1HB ASP 18 1HB ASP 18 8.318 2.214 -0.354
119 2HB ASP 18 2HB ASP 18 8.749 0.727 0.487
120 H ARG 19 H ARG 19 4.514 0.072 0.570
121 HA ARG 19 HA ARG 19 5.306 -0.659 3.252
122 1HB ARG 19 1HB ARG 19 2.648 -1.172 1.919
123 2HB ARG 19 2HB ARG 19 2.984 -1.106 3.642
124 1HG ARG 19 1HG ARG 19 3.778 1.371 2.531
125 2HG ARG 19 2HG ARG 19 2.176 0.985 1.896
126 1HD ARG 19 1HD ARG 19 2.810 0.737 4.817
127 2HD ARG 19 2HD ARG 19 2.330 2.278 4.107
128 HE ARG 19 HE ARG 19 0.328 0.782 3.271
129 1HH1 ARG 19 1HH1 ARG 19 1.869 0.919 6.425
130 2HH1 ARG 19 2HH1 ARG 19 0.471 0.333 7.278
131 1HH2 ARG 19 1HH2 ARG 19 -1.531 0.048 4.425
132 2HH2 ARG 19 2HH2 ARG 19 -1.457 -0.158 6.150
133 H SER 20 H SER 20 3.512 -2.989 3.438
134 HA SER 20 HA SER 20 4.406 -4.872 1.485
135 1HB SER 20 1HB SER 20 5.432 -6.284 3.528
136 2HB SER 20 2HB SER 20 6.407 -5.252 2.482
137 HG SER 20 HG SER 20 5.776 -3.551 4.133
138 H PHE 21 H PHE 21 2.805 -6.177 1.191
139 HA PHE 21 HA PHE 21 1.292 -7.220 3.477
140 1HB PHE 21 1HB PHE 21 -0.059 -6.401 0.899
141 2HB PHE 21 2HB PHE 21 -0.817 -6.852 2.420
142 HD1 PHE 21 HD1 PHE 21 1.160 -4.217 0.739
143 HD2 PHE 21 HD2 PHE 21 -1.297 -5.240 4.063
144 HE1 PHE 21 HE1 PHE 21 0.995 -1.842 1.344
145 HE2 PHE 21 HE2 PHE 21 -1.451 -2.863 4.681
146 HZ PHE 21 HZ PHE 21 -0.302 -1.162 3.319
147 H SER 22 H SER 22 0.409 -9.306 3.122
148 HA SER 22 HA SER 22 1.759 -10.808 1.019
149 1HB SER 22 1HB SER 22 0.045 -12.330 2.817
150 2HB SER 22 2HB SER 22 1.774 -12.479 2.521
151 HG SER 22 HG SER 22 2.142 -11.451 4.305
152 H ARG 23 H ARG 23 -1.220 -9.373 1.713
153 HA ARG 23 HA ARG 23 -2.591 -10.939 -0.390
154 1HB ARG 23 1HB ARG 23 -3.799 -9.400 1.919
155 2HB ARG 23 2HB ARG 23 -4.706 -10.192 0.647
156 1HG ARG 23 1HG ARG 23 -3.091 -12.198 1.645
157 2HG ARG 23 2HG ARG 23 -3.588 -11.283 3.075
158 1HD ARG 23 1HD ARG 23 -5.394 -12.442 0.970
159 2HD ARG 23 2HD ARG 23 -5.185 -13.047 2.612
160 HE ARG 23 HE ARG 23 -6.169 -10.306 2.227
161 1HH1 ARG 23 1HH1 ARG 23 -6.775 -13.617 3.213
162 2HH1 ARG 23 2HH1 ARG 23 -8.271 -13.231 4.006
163 1HH2 ARG 23 1HH2 ARG 23 -8.126 -9.799 3.238
164 2HH2 ARG 23 2HH2 ARG 23 -9.076 -11.061 3.973
165 H SER 24 H SER 24 -3.346 -9.957 -2.065
166 HA SER 24 HA SER 24 -2.572 -7.308 -2.697
167 1HB SER 24 1HB SER 24 -4.517 -7.927 -4.483
168 2HB SER 24 2HB SER 24 -2.849 -8.464 -4.630
169 HG SER 24 HG SER 24 -5.060 -9.930 -4.318
170 H ASP 25 H ASP 25 -5.396 -8.813 -1.324
171 HA ASP 25 HA ASP 25 -7.235 -6.705 -1.537
172 1HB ASP 25 1HB ASP 25 -8.486 -8.339 -0.685
173 2HB ASP 25 2HB ASP 25 -7.058 -9.282 -0.341
174 H HIS 26 H HIS 26 -4.807 -7.503 0.912
175 HA HIS 26 HA HIS 26 -5.497 -5.425 2.711
176 1HB HIS 26 1HB HIS 26 -3.324 -7.395 2.447
177 2HB HIS 26 2HB HIS 26 -2.867 -5.899 3.256
178 HD1 HIS 26 HD1 HIS 26 -2.672 -6.952 5.586
179 HD2 HIS 26 HD2 HIS 26 -6.395 -7.504 3.813
180 HE1 HIS 26 HE1 HIS 26 -4.172 -7.818 7.412
181 HE2 HIS 26 HE2 HIS 26 -6.385 -8.264 6.286
182 H LEU 27 H LEU 27 -3.247 -5.678 0.026
183 HA LEU 27 HA LEU 27 -1.932 -3.205 0.234
184 1HB LEU 27 1HB LEU 27 -1.505 -5.097 -1.442
185 2HB LEU 27 2HB LEU 27 -2.857 -4.457 -2.355
186 HG LEU 27 HG LEU 27 -1.669 -2.738 -3.180
187 1HD1 LEU 27 1HD1 LEU 27 -1.434 -1.651 -0.988
188 2HD1 LEU 27 2HD1 LEU 27 0.032 -2.593 -0.703
189 3HD1 LEU 27 3HD1 LEU 27 -0.024 -1.422 -2.022
190 1HD2 LEU 27 1HD2 LEU 27 0.654 -4.423 -2.289
191 2HD2 LEU 27 2HD2 LEU 27 -0.349 -4.727 -3.707
192 3HD2 LEU 27 3HD2 LEU 27 0.630 -3.263 -3.619
193 H ALA 28 H ALA 28 -4.750 -4.075 -1.731
194 HA ALA 28 HA ALA 28 -5.437 -1.553 -2.608
195 1HB ALA 28 1HB ALA 28 -7.609 -3.506 -2.033
196 2HB ALA 28 2HB ALA 28 -7.340 -2.503 -3.459
197 3HB ALA 28 3HB ALA 28 -6.354 -3.942 -3.192
198 H LEU 29 H LEU 29 -6.345 -3.146 0.423
199 HA LEU 29 HA LEU 29 -8.301 -1.359 1.309
200 1HB LEU 29 1HB LEU 29 -6.272 -2.968 2.833
201 2HB LEU 29 2HB LEU 29 -7.522 -2.022 3.615
202 HG LEU 29 HG LEU 29 -8.175 -4.171 1.618
203 1HD1 LEU 29 1HD1 LEU 29 -6.983 -5.352 3.267
204 2HD1 LEU 29 2HD1 LEU 29 -7.688 -4.398 4.573
205 3HD1 LEU 29 3HD1 LEU 29 -8.688 -5.546 3.682
206 1HD2 LEU 29 1HD2 LEU 29 -9.744 -2.825 3.808
207 2HD2 LEU 29 2HD2 LEU 29 -9.935 -2.573 2.074
208 3HD2 LEU 29 3HD2 LEU 29 -10.331 -4.138 2.787
209 H HIS 30 H HIS 30 -4.795 -1.283 1.732
210 HA HIS 30 HA HIS 30 -4.765 1.199 3.152
211 1HB HIS 30 1HB HIS 30 -2.840 -0.037 3.561
212 2HB HIS 30 2HB HIS 30 -2.708 -0.583 1.893
213 HD1 HIS 30 HD1 HIS 30 -2.139 2.584 3.950
214 HD2 HIS 30 HD2 HIS 30 -0.918 0.795 0.390
215 HE1 HIS 30 HE1 HIS 30 -0.310 4.048 2.998
216 H ARG 31 H ARG 31 -4.475 0.220 -0.212
217 HA ARG 31 HA ARG 31 -3.543 2.751 -1.097
218 1HB ARG 31 1HB ARG 31 -4.573 0.326 -2.556
219 2HB ARG 31 2HB ARG 31 -4.089 1.798 -3.394
220 1HG ARG 31 1HG ARG 31 -1.890 1.492 -2.002
221 2HG ARG 31 2HG ARG 31 -2.426 -0.187 -1.924
222 1HD ARG 31 1HD ARG 31 -0.960 0.049 -3.800
223 2HD ARG 31 2HD ARG 31 -2.604 -0.177 -4.406
224 HE ARG 31 HE ARG 31 -1.105 2.356 -4.385
225 1HH1 ARG 31 1HH1 ARG 31 -3.720 0.367 -5.619
226 2HH1 ARG 31 2HH1 ARG 31 -4.195 1.534 -6.822
227 1HH2 ARG 31 1HH2 ARG 31 -1.703 3.862 -5.968
228 2HH2 ARG 31 2HH2 ARG 31 -3.042 3.523 -7.032
229 H LYS 32 H LYS 32 -6.513 1.876 -0.026
230 HA LYS 32 HA LYS 32 -8.242 3.197 -1.853
231 1HB LYS 32 1HB LYS 32 -8.461 1.908 0.707
232 2HB LYS 32 2HB LYS 32 -9.319 3.443 0.734
233 1HG LYS 32 1HG LYS 32 -10.908 1.869 0.056
234 2HG LYS 32 2HG LYS 32 -10.416 2.686 -1.430
235 1HD LYS 32 1HD LYS 32 -10.154 0.591 -2.212
236 2HD LYS 32 2HD LYS 32 -8.616 0.660 -1.337
237 1HE LYS 32 1HE LYS 32 -9.312 -0.762 0.262
238 2HE LYS 32 2HE LYS 32 -10.955 -0.127 0.265
239 1HZ LYS 32 1HZ LYS 32 -10.287 -1.529 -2.150
240 2HZ LYS 32 2HZ LYS 32 -11.636 -1.704 -1.134
241 3HZ LYS 32 3HZ LYS 32 -10.186 -2.511 -0.772
242 H ARG 33 H ARG 33 -6.128 4.198 0.700
243 HA ARG 33 HA ARG 33 -7.152 6.881 0.880
244 1HB ARG 33 1HB ARG 33 -4.619 5.605 1.909
245 2HB ARG 33 2HB ARG 33 -5.051 7.283 2.199
246 1HG ARG 33 1HG ARG 33 -6.544 6.760 3.782
247 2HG ARG 33 2HG ARG 33 -7.121 5.334 2.915
248 1HD ARG 33 1HD ARG 33 -6.099 4.386 4.755
249 2HD ARG 33 2HD ARG 33 -4.807 4.337 3.555
250 HE ARG 33 HE ARG 33 -3.810 6.250 4.641
251 1HH1 ARG 33 1HH1 ARG 33 -6.424 4.707 6.407
252 2HH1 ARG 33 2HH1 ARG 33 -5.879 5.286 7.952
253 1HH2 ARG 33 1HH2 ARG 33 -3.117 7.026 6.689
254 2HH2 ARG 33 2HH2 ARG 33 -4.021 6.587 8.111
255 H HIS 34 H HIS 34 -5.415 5.242 -1.409
256 HA HIS 34 HA HIS 34 -3.899 7.605 -2.252
257 1HB HIS 34 1HB HIS 34 -3.854 4.721 -3.151
258 2HB HIS 34 2HB HIS 34 -3.011 6.000 -4.021
259 HD1 HIS 34 HD1 HIS 34 -1.559 7.545 -1.981
260 HD2 HIS 34 HD2 HIS 34 -2.072 3.431 -1.617
261 HE1 HIS 34 HE1 HIS 34 0.253 6.729 -0.411
262 H MET 35 H MET 35 -6.857 6.171 -2.603
263 HA MET 35 HA MET 35 -7.324 7.096 -5.333
264 1HB MET 35 1HB MET 35 -8.978 5.584 -3.329
265 2HB MET 35 2HB MET 35 -9.728 6.333 -4.732
266 1HG MET 35 1HG MET 35 -7.928 5.046 -6.072
267 2HG MET 35 2HG MET 35 -7.786 4.070 -4.612
268 1HE MET 35 1HE MET 35 -9.419 1.777 -4.441
269 2HE MET 35 2HE MET 35 -9.811 1.405 -6.120
270 3HE MET 35 3HE MET 35 -8.220 2.045 -5.706
271 H LEU 36 H LEU 36 -8.644 7.628 -2.087
272 HA LEU 36 HA LEU 36 -9.052 10.445 -2.802
273 1HB LEU 36 1HB LEU 36 -10.838 8.790 -1.010
274 2HB LEU 36 2HB LEU 36 -11.004 10.510 -1.310
275 HG LEU 36 HG LEU 36 -11.172 8.498 -3.536
276 1HD1 LEU 36 1HD1 LEU 36 -13.159 9.151 -1.453
277 2HD1 LEU 36 2HD1 LEU 36 -13.746 9.143 -3.117
278 3HD1 LEU 36 3HD1 LEU 36 -12.982 7.704 -2.445
279 1HD2 LEU 36 1HD2 LEU 36 -10.797 10.895 -4.067
280 2HD2 LEU 36 2HD2 LEU 36 -12.317 10.265 -4.698
281 3HD2 LEU 36 3HD2 LEU 36 -12.315 11.276 -3.253
282 H VAL 37 H VAL 37 -7.119 11.049 -1.889
283 HA VAL 37 HA VAL 37 -6.319 10.105 0.678
284 HB VAL 37 HB VAL 37 -4.760 10.812 -1.197
285 1HG1 VAL 37 1HG1 VAL 37 -5.875 13.451 -0.457
286 2HG1 VAL 37 2HG1 VAL 37 -4.146 13.369 -0.794
287 3HG1 VAL 37 3HG1 VAL 37 -5.309 12.852 -2.016
288 1HG2 VAL 37 1HG2 VAL 37 -3.289 12.158 0.596
289 2HG2 VAL 37 2HG2 VAL 37 -4.499 11.452 1.668
290 3HG2 VAL 37 3HG2 VAL 37 -3.518 10.410 0.639
Start of MODEL 6
1 1H GLY 1 1H GLY 1 4.975 6.889 -0.452
2 2H GLY 1 2H GLY 1 3.557 7.624 0.120
3 3H GLY 1 3H GLY 1 3.963 6.059 0.627
4 1HA GLY 1 1HA GLY 1 5.839 8.260 1.143
5 2HA GLY 1 2HA GLY 1 4.422 8.082 2.171
6 H SER 2 H SER 2 5.314 7.367 4.018
7 HA SER 2 HA SER 2 6.399 6.051 5.507
8 1HB SER 2 1HB SER 2 5.430 3.941 3.572
9 2HB SER 2 2HB SER 2 5.999 3.619 5.210
10 HG SER 2 HG SER 2 4.197 5.560 5.366
11 H THR 3 H THR 3 7.307 3.418 3.583
12 HA THR 3 HA THR 3 9.301 2.535 2.993
13 HB THR 3 HB THR 3 10.526 5.234 2.568
14 HG1 THR 3 HG1 THR 3 8.159 4.323 1.470
15 1HG2 THR 3 1HG2 THR 3 10.524 2.643 1.015
16 2HG2 THR 3 2HG2 THR 3 11.838 3.270 2.009
17 3HG2 THR 3 3HG2 THR 3 11.373 4.112 0.529
18 H ARG 4 H ARG 4 8.760 3.660 5.764
19 HA ARG 4 HA ARG 4 11.505 3.942 6.753
20 1HB ARG 4 1HB ARG 4 8.916 4.175 8.302
21 2HB ARG 4 2HB ARG 4 10.523 4.605 8.873
22 1HG ARG 4 1HG ARG 4 9.233 5.946 6.515
23 2HG ARG 4 2HG ARG 4 9.016 6.510 8.173
24 1HD ARG 4 1HD ARG 4 11.599 6.487 8.266
25 2HD ARG 4 2HD ARG 4 11.503 6.444 6.506
26 HE ARG 4 HE ARG 4 9.928 8.525 7.041
27 1HH1 ARG 4 1HH1 ARG 4 13.078 7.668 8.325
28 2HH1 ARG 4 2HH1 ARG 4 13.568 9.316 8.571
29 1HH2 ARG 4 1HH2 ARG 4 10.570 10.707 7.389
30 2HH2 ARG 4 2HH2 ARG 4 12.142 11.037 8.070
31 H GLY 5 H GLY 5 12.287 1.870 6.598
32 1HA GLY 5 1HA GLY 5 12.717 -0.168 7.751
33 2HA GLY 5 2HA GLY 5 11.105 -0.082 8.452
34 H SER 6 H SER 6 9.676 0.480 6.106
35 HA SER 6 HA SER 6 9.262 -2.092 5.026
36 1HB SER 6 1HB SER 6 8.268 0.077 3.362
37 2HB SER 6 2HB SER 6 7.365 -1.120 4.293
38 HG SER 6 HG SER 6 7.122 0.266 5.866
39 H THR 7 H THR 7 10.907 -3.006 3.910
40 HA THR 7 HA THR 7 12.064 -1.464 1.688
41 HB THR 7 HB THR 7 13.912 -3.426 2.213
42 HG1 THR 7 HG1 THR 7 12.887 -2.463 4.707
43 1HG2 THR 7 1HG2 THR 7 14.401 -1.074 1.776
44 2HG2 THR 7 2HG2 THR 7 15.238 -1.616 3.232
45 3HG2 THR 7 3HG2 THR 7 13.776 -0.639 3.367
46 H GLY 8 H GLY 8 10.203 -2.356 0.500
47 1HA GLY 8 1HA GLY 8 9.240 -3.837 -0.953
48 2HA GLY 8 2HA GLY 8 10.896 -4.288 -1.303
49 H ILE 9 H ILE 9 9.175 -4.786 1.697
50 HA ILE 9 HA ILE 9 9.731 -7.631 1.657
51 HB ILE 9 HB ILE 9 7.904 -6.350 3.645
52 1HG1 ILE 9 1HG1 ILE 9 10.811 -6.231 4.230
53 2HG1 ILE 9 2HG1 ILE 9 10.175 -5.034 3.106
54 1HG2 ILE 9 1HG2 ILE 9 8.243 -8.233 4.785
55 2HG2 ILE 9 2HG2 ILE 9 9.132 -8.848 3.391
56 3HG2 ILE 9 3HG2 ILE 9 9.994 -8.032 4.696
57 1HD1 ILE 9 1HD1 ILE 9 10.163 -4.096 5.294
58 2HD1 ILE 9 2HD1 ILE 9 8.492 -4.416 4.832
59 3HD1 ILE 9 3HD1 ILE 9 9.321 -5.499 5.949
60 H LYS 10 H LYS 10 7.910 -9.204 1.990
61 HA LYS 10 HA LYS 10 5.962 -10.168 1.434
62 1HB LYS 10 1HB LYS 10 5.214 -7.428 2.194
63 2HB LYS 10 2HB LYS 10 4.013 -8.281 1.232
64 1HG LYS 10 1HG LYS 10 3.430 -9.590 2.936
65 2HG LYS 10 2HG LYS 10 5.107 -9.931 3.360
66 1HD LYS 10 1HD LYS 10 4.185 -7.211 3.992
67 2HD LYS 10 2HD LYS 10 3.390 -8.501 4.899
68 1HE LYS 10 1HE LYS 10 6.015 -9.249 5.016
69 2HE LYS 10 2HE LYS 10 6.133 -7.491 5.061
70 1HZ LYS 10 1HZ LYS 10 4.703 -9.275 6.945
71 2HZ LYS 10 2HZ LYS 10 4.409 -7.604 6.889
72 3HZ LYS 10 3HZ LYS 10 5.956 -8.180 7.282
73 HA PRO 11 HA PRO 11 5.717 -10.270 -2.886
74 1HB PRO 11 1HB PRO 11 3.070 -11.137 -3.140
75 2HB PRO 11 2HB PRO 11 4.492 -12.163 -2.996
76 1HG PRO 11 1HG PRO 11 2.412 -11.534 -1.057
77 2HG PRO 11 2HG PRO 11 3.600 -12.837 -1.045
78 1HD PRO 11 1HD PRO 11 3.614 -10.561 0.543
79 2HD PRO 11 2HD PRO 11 4.948 -11.691 0.339
80 H PHE 12 H PHE 12 3.110 -8.641 -1.224
81 HA PHE 12 HA PHE 12 2.588 -7.037 -3.640
82 1HB PHE 12 1HB PHE 12 0.687 -7.694 -1.385
83 2HB PHE 12 2HB PHE 12 0.301 -6.742 -2.816
84 HD1 PHE 12 HD1 PHE 12 0.679 -7.934 -5.098
85 HD2 PHE 12 HD2 PHE 12 0.230 -9.955 -1.384
86 HE1 PHE 12 HE1 PHE 12 0.031 -9.980 -6.296
87 HE2 PHE 12 HE2 PHE 12 -0.422 -12.007 -2.575
88 HZ PHE 12 HZ PHE 12 -0.516 -12.021 -5.037
89 H GLN 13 H GLN 13 4.057 -5.434 -3.148
90 HA GLN 13 HA GLN 13 3.846 -4.035 -0.612
91 1HB GLN 13 1HB GLN 13 5.544 -3.433 -3.026
92 2HB GLN 13 2HB GLN 13 5.664 -2.654 -1.455
93 1HG GLN 13 1HG GLN 13 7.186 -4.128 -0.966
94 2HG GLN 13 2HG GLN 13 5.881 -5.309 -0.868
95 1HE2 GLN 13 1HE2 GLN 13 8.596 -4.200 -2.695
96 2HE2 GLN 13 2HE2 GLN 13 8.579 -5.456 -3.883
97 H CYS 14 H CYS 14 3.758 -1.660 -0.648
98 HA CYS 14 HA CYS 14 1.632 -0.694 -2.406
99 1HB CYS 14 1HB CYS 14 1.699 0.147 -0.070
100 2HB CYS 14 2HB CYS 14 3.245 0.922 -0.425
101 HA PRO 15 HA PRO 15 4.716 0.477 -5.395
102 1HB PRO 15 1HB PRO 15 3.051 1.763 -7.111
103 2HB PRO 15 2HB PRO 15 3.170 0.005 -7.018
104 1HG PRO 15 1HG PRO 15 1.117 1.834 -5.856
105 2HG PRO 15 2HG PRO 15 0.905 0.244 -6.609
106 1HD PRO 15 1HD PRO 15 0.911 0.646 -3.911
107 2HD PRO 15 2HD PRO 15 1.414 -0.875 -4.675
108 H ASP 16 H ASP 16 2.848 2.552 -3.426
109 HA ASP 16 HA ASP 16 4.319 4.910 -4.406
110 1HB ASP 16 1HB ASP 16 1.792 4.987 -4.339
111 2HB ASP 16 2HB ASP 16 1.915 4.927 -2.584
112 H CYS 17 H CYS 17 3.655 2.948 -1.577
113 HA CYS 17 HA CYS 17 5.281 4.747 0.051
114 1HB CYS 17 1HB CYS 17 3.530 2.431 0.877
115 2HB CYS 17 2HB CYS 17 4.423 3.465 1.985
116 H ASP 18 H ASP 18 5.241 1.549 -1.236
117 HA ASP 18 HA ASP 18 6.776 -0.133 -1.299
118 1HB ASP 18 1HB ASP 18 8.524 1.906 -0.985
119 2HB ASP 18 2HB ASP 18 8.751 1.071 0.550
120 H ARG 19 H ARG 19 4.727 0.572 0.640
121 HA ARG 19 HA ARG 19 5.365 -0.664 3.143
122 1HB ARG 19 1HB ARG 19 2.942 0.330 1.769
123 2HB ARG 19 2HB ARG 19 2.681 -1.019 2.866
124 1HG ARG 19 1HG ARG 19 3.379 0.185 4.718
125 2HG ARG 19 2HG ARG 19 4.219 1.384 3.739
126 1HD ARG 19 1HD ARG 19 2.241 2.408 4.569
127 2HD ARG 19 2HD ARG 19 1.998 2.099 2.850
128 HE ARG 19 HE ARG 19 0.294 0.676 3.373
129 1HH1 ARG 19 1HH1 ARG 19 2.140 1.392 6.275
130 2HH1 ARG 19 2HH1 ARG 19 1.095 0.478 7.326
131 1HH2 ARG 19 1HH2 ARG 19 -1.092 -0.527 4.776
132 2HH2 ARG 19 2HH2 ARG 19 -0.734 -0.620 6.474
133 H SER 20 H SER 20 3.992 -2.773 3.684
134 HA SER 20 HA SER 20 4.322 -4.565 1.370
135 1HB SER 20 1HB SER 20 5.252 -6.101 3.423
136 2HB SER 20 2HB SER 20 6.262 -5.188 2.297
137 HG SER 20 HG SER 20 5.387 -3.587 4.288
138 H PHE 21 H PHE 21 2.748 -5.908 1.034
139 HA PHE 21 HA PHE 21 1.079 -6.766 3.304
140 1HB PHE 21 1HB PHE 21 -0.087 -6.206 0.578
141 2HB PHE 21 2HB PHE 21 -0.929 -6.402 2.113
142 HD1 PHE 21 HD1 PHE 21 -1.289 -4.566 3.558
143 HD2 PHE 21 HD2 PHE 21 1.233 -4.147 0.158
144 HE1 PHE 21 HE1 PHE 21 -1.251 -2.130 3.885
145 HE2 PHE 21 HE2 PHE 21 1.271 -1.714 0.480
146 HZ PHE 21 HZ PHE 21 0.035 -0.709 2.338
147 H SER 22 H SER 22 0.450 -8.874 3.279
148 HA SER 22 HA SER 22 1.876 -10.615 1.470
149 1HB SER 22 1HB SER 22 -0.009 -11.997 3.142
150 2HB SER 22 2HB SER 22 1.754 -12.000 3.233
151 HG SER 22 HG SER 22 0.927 -11.190 5.162
152 H ARG 23 H ARG 23 -1.228 -9.214 1.756
153 HA ARG 23 HA ARG 23 -2.252 -10.909 -0.435
154 1HB ARG 23 1HB ARG 23 -3.924 -9.545 1.681
155 2HB ARG 23 2HB ARG 23 -4.478 -10.672 0.449
156 1HG ARG 23 1HG ARG 23 -3.239 -12.471 1.503
157 2HG ARG 23 2HG ARG 23 -2.609 -11.350 2.712
158 1HD ARG 23 1HD ARG 23 -4.736 -12.877 3.163
159 2HD ARG 23 2HD ARG 23 -4.569 -11.265 3.856
160 HE ARG 23 HE ARG 23 -6.221 -10.486 2.419
161 1HH1 ARG 23 1HH1 ARG 23 -5.397 -13.805 1.648
162 2HH1 ARG 23 2HH1 ARG 23 -6.822 -14.067 0.686
163 1HH2 ARG 23 1HH2 ARG 23 -8.080 -10.826 1.172
164 2HH2 ARG 23 2HH2 ARG 23 -8.353 -12.367 0.412
165 H SER 24 H SER 24 -2.950 -9.989 -2.151
166 HA SER 24 HA SER 24 -2.393 -7.303 -2.737
167 1HB SER 24 1HB SER 24 -4.199 -8.156 -4.628
168 2HB SER 24 2HB SER 24 -2.457 -8.420 -4.689
169 HG SER 24 HG SER 24 -4.450 -10.215 -4.401
170 H ASP 25 H ASP 25 -5.138 -8.939 -1.445
171 HA ASP 25 HA ASP 25 -7.122 -6.967 -1.865
172 1HB ASP 25 1HB ASP 25 -8.248 -8.752 -1.106
173 2HB ASP 25 2HB ASP 25 -6.802 -9.465 -0.431
174 H HIS 26 H HIS 26 -4.914 -7.656 0.778
175 HA HIS 26 HA HIS 26 -5.659 -5.535 2.469
176 1HB HIS 26 1HB HIS 26 -3.554 -7.531 2.368
177 2HB HIS 26 2HB HIS 26 -2.958 -5.983 2.967
178 HD1 HIS 26 HD1 HIS 26 -2.863 -6.283 5.437
179 HD2 HIS 26 HD2 HIS 26 -6.404 -7.704 3.793
180 HE1 HIS 26 HE1 HIS 26 -4.319 -6.884 7.394
181 HE2 HIS 26 HE2 HIS 26 -6.541 -7.474 6.372
182 H LEU 27 H LEU 27 -3.438 -5.735 -0.228
183 HA LEU 27 HA LEU 27 -2.080 -3.294 0.024
184 1HB LEU 27 1HB LEU 27 -1.662 -5.136 -1.666
185 2HB LEU 27 2HB LEU 27 -3.049 -4.539 -2.551
186 HG LEU 27 HG LEU 27 -1.903 -2.836 -3.463
187 1HD1 LEU 27 1HD1 LEU 27 -0.506 -1.325 -2.395
188 2HD1 LEU 27 2HD1 LEU 27 -1.649 -1.809 -1.142
189 3HD1 LEU 27 3HD1 LEU 27 -0.022 -2.492 -1.163
190 1HD2 LEU 27 1HD2 LEU 27 -0.497 -4.572 -4.135
191 2HD2 LEU 27 2HD2 LEU 27 0.588 -3.293 -3.590
192 3HD2 LEU 27 3HD2 LEU 27 0.272 -4.685 -2.552
193 H ALA 28 H ALA 28 -4.953 -4.051 -1.929
194 HA ALA 28 HA ALA 28 -5.603 -1.478 -2.709
195 1HB ALA 28 1HB ALA 28 -6.649 -3.953 -3.152
196 2HB ALA 28 2HB ALA 28 -7.922 -3.200 -2.190
197 3HB ALA 28 3HB ALA 28 -7.378 -2.440 -3.688
198 H LEU 29 H LEU 29 -6.527 -3.203 0.239
199 HA LEU 29 HA LEU 29 -8.416 -1.427 1.234
200 1HB LEU 29 1HB LEU 29 -6.433 -3.168 2.673
201 2HB LEU 29 2HB LEU 29 -7.693 -2.264 3.491
202 HG LEU 29 HG LEU 29 -8.224 -4.357 1.384
203 1HD1 LEU 29 1HD1 LEU 29 -8.308 -4.571 4.387
204 2HD1 LEU 29 2HD1 LEU 29 -8.908 -5.786 3.261
205 3HD1 LEU 29 3HD1 LEU 29 -7.189 -5.398 3.305
206 1HD2 LEU 29 1HD2 LEU 29 -9.925 -2.622 3.114
207 2HD2 LEU 29 2HD2 LEU 29 -10.117 -3.050 1.413
208 3HD2 LEU 29 3HD2 LEU 29 -10.498 -4.231 2.669
209 H HIS 30 H HIS 30 -4.884 -1.401 1.683
210 HA HIS 30 HA HIS 30 -4.911 0.988 3.267
211 1HB HIS 30 1HB HIS 30 -2.962 -0.164 3.694
212 2HB HIS 30 2HB HIS 30 -2.801 -0.736 2.040
213 HD1 HIS 30 HD1 HIS 30 -2.283 2.469 4.045
214 HD2 HIS 30 HD2 HIS 30 -0.992 0.618 0.545
215 HE1 HIS 30 HE1 HIS 30 -0.463 3.944 3.077
216 H ARG 31 H ARG 31 -4.564 0.216 -0.132
217 HA ARG 31 HA ARG 31 -3.573 2.753 -0.890
218 1HB ARG 31 1HB ARG 31 -4.730 0.453 -2.434
219 2HB ARG 31 2HB ARG 31 -4.252 1.956 -3.221
220 1HG ARG 31 1HG ARG 31 -2.020 1.547 -1.900
221 2HG ARG 31 2HG ARG 31 -2.571 -0.126 -1.918
222 1HD ARG 31 1HD ARG 31 -1.232 0.097 -3.832
223 2HD ARG 31 2HD ARG 31 -2.893 0.189 -4.429
224 HE ARG 31 HE ARG 31 -1.003 2.423 -4.170
225 1HH1 ARG 31 1HH1 ARG 31 -4.042 1.148 -5.356
226 2HH1 ARG 31 2HH1 ARG 31 -4.360 2.509 -6.393
227 1HH2 ARG 31 1HH2 ARG 31 -1.400 4.212 -5.551
228 2HH2 ARG 31 2HH2 ARG 31 -2.853 4.257 -6.505
229 H LYS 32 H LYS 32 -6.592 1.975 0.190
230 HA LYS 32 HA LYS 32 -8.333 3.389 -1.506
231 1HB LYS 32 1HB LYS 32 -8.405 2.246 1.149
232 2HB LYS 32 2HB LYS 32 -9.239 3.794 1.113
233 1HG LYS 32 1HG LYS 32 -10.782 1.980 0.689
234 2HG LYS 32 2HG LYS 32 -10.620 3.000 -0.743
235 1HD LYS 32 1HD LYS 32 -9.277 1.415 -1.851
236 2HD LYS 32 2HD LYS 32 -8.984 0.508 -0.364
237 1HE LYS 32 1HE LYS 32 -11.772 0.832 -1.393
238 2HE LYS 32 2HE LYS 32 -10.705 -0.365 -2.125
239 1HZ LYS 32 1HZ LYS 32 -12.236 -0.929 -0.081
240 2HZ LYS 32 2HZ LYS 32 -10.907 -0.335 0.792
241 3HZ LYS 32 3HZ LYS 32 -10.709 -1.643 -0.275
242 H ARG 33 H ARG 33 -6.202 4.407 1.089
243 HA ARG 33 HA ARG 33 -7.138 7.110 1.110
244 1HB ARG 33 1HB ARG 33 -4.527 6.060 2.200
245 2HB ARG 33 2HB ARG 33 -5.327 7.559 2.641
246 1HG ARG 33 1HG ARG 33 -6.211 4.753 3.267
247 2HG ARG 33 2HG ARG 33 -5.679 5.999 4.398
248 1HD ARG 33 1HD ARG 33 -7.946 6.761 2.695
249 2HD ARG 33 2HD ARG 33 -8.275 5.438 3.814
250 HE ARG 33 HE ARG 33 -6.967 7.590 5.131
251 1HH1 ARG 33 1HH1 ARG 33 -10.080 6.507 3.948
252 2HH1 ARG 33 2HH1 ARG 33 -10.992 7.596 4.956
253 1HH2 ARG 33 1HH2 ARG 33 -8.156 8.982 6.499
254 2HH2 ARG 33 2HH2 ARG 33 -9.892 8.995 6.412
255 H HIS 34 H HIS 34 -5.367 5.420 -1.120
256 HA HIS 34 HA HIS 34 -3.722 7.707 -1.906
257 1HB HIS 34 1HB HIS 34 -3.890 4.861 -2.879
258 2HB HIS 34 2HB HIS 34 -3.009 6.097 -3.770
259 HD1 HIS 34 HD1 HIS 34 -1.291 7.488 -1.885
260 HD2 HIS 34 HD2 HIS 34 -2.168 3.450 -1.391
261 HE1 HIS 34 HE1 HIS 34 0.477 6.551 -0.338
262 H MET 35 H MET 35 -6.787 6.467 -2.367
263 HA MET 35 HA MET 35 -7.119 7.484 -5.073
264 1HB MET 35 1HB MET 35 -9.158 6.383 -3.133
265 2HB MET 35 2HB MET 35 -9.465 6.785 -4.815
266 1HG MET 35 1HG MET 35 -8.182 4.997 -5.597
267 2HG MET 35 2HG MET 35 -7.385 4.772 -4.042
268 1HE MET 35 1HE MET 35 -9.328 1.496 -4.681
269 2HE MET 35 2HE MET 35 -7.926 2.446 -5.177
270 3HE MET 35 3HE MET 35 -8.122 1.976 -3.487
271 H LEU 36 H LEU 36 -7.415 8.522 -1.830
272 HA LEU 36 HA LEU 36 -8.569 11.061 -2.750
273 1HB LEU 36 1HB LEU 36 -9.062 10.285 0.062
274 2HB LEU 36 2HB LEU 36 -10.080 11.177 -1.051
275 HG LEU 36 HG LEU 36 -9.869 8.432 -1.896
276 1HD1 LEU 36 1HD1 LEU 36 -10.451 7.210 -0.085
277 2HD1 LEU 36 2HD1 LEU 36 -9.554 8.473 0.760
278 3HD1 LEU 36 3HD1 LEU 36 -11.316 8.544 0.679
279 1HD2 LEU 36 1HD2 LEU 36 -11.627 10.252 -2.358
280 2HD2 LEU 36 2HD2 LEU 36 -12.179 8.599 -2.101
281 3HD2 LEU 36 3HD2 LEU 36 -12.310 9.782 -0.802
282 H VAL 37 H VAL 37 -6.121 11.251 -2.948
283 HA VAL 37 HA VAL 37 -4.720 11.619 -0.442
284 HB VAL 37 HB VAL 37 -2.833 12.371 -2.045
285 1HG1 VAL 37 1HG1 VAL 37 -2.683 9.805 -2.797
286 2HG1 VAL 37 2HG1 VAL 37 -2.334 10.357 -1.159
287 3HG1 VAL 37 3HG1 VAL 37 -3.915 9.673 -1.542
288 1HG2 VAL 37 1HG2 VAL 37 -4.723 12.437 -3.926
289 2HG2 VAL 37 2HG2 VAL 37 -3.033 12.093 -4.288
290 3HG2 VAL 37 3HG2 VAL 37 -4.189 10.770 -4.133
Start of MODEL 7
1 1H GLY 1 1H GLY 1 9.751 9.261 -5.059
2 2H GLY 1 2H GLY 1 11.063 8.261 -4.664
3 3H GLY 1 3H GLY 1 11.155 9.935 -4.386
4 1HA GLY 1 1HA GLY 1 10.623 9.367 -2.297
5 2HA GLY 1 2HA GLY 1 8.994 9.394 -2.961
6 H SER 2 H SER 2 8.262 7.866 -1.468
7 HA SER 2 HA SER 2 7.739 5.797 -0.697
8 1HB SER 2 1HB SER 2 9.019 4.590 -3.141
9 2HB SER 2 2HB SER 2 7.592 4.046 -2.256
10 HG SER 2 HG SER 2 6.477 5.857 -3.038
11 H THR 3 H THR 3 9.236 3.323 -1.265
12 HA THR 3 HA THR 3 10.864 2.070 -0.296
13 HB THR 3 HB THR 3 12.879 4.236 -0.305
14 HG1 THR 3 HG1 THR 3 11.442 3.437 -2.636
15 1HG2 THR 3 1HG2 THR 3 13.547 2.112 -2.028
16 2HG2 THR 3 2HG2 THR 3 12.740 1.390 -0.634
17 3HG2 THR 3 3HG2 THR 3 14.156 2.415 -0.400
18 H ARG 4 H ARG 4 9.190 3.668 1.481
19 HA ARG 4 HA ARG 4 11.022 4.434 3.619
20 1HB ARG 4 1HB ARG 4 8.397 5.277 2.781
21 2HB ARG 4 2HB ARG 4 8.373 4.807 4.475
22 1HG ARG 4 1HG ARG 4 10.194 6.350 4.946
23 2HG ARG 4 2HG ARG 4 10.260 6.803 3.243
24 1HD ARG 4 1HD ARG 4 8.204 7.447 5.306
25 2HD ARG 4 2HD ARG 4 8.990 8.506 4.136
26 HE ARG 4 HE ARG 4 7.592 7.408 2.418
27 1HH1 ARG 4 1HH1 ARG 4 6.581 7.369 5.770
28 2HH1 ARG 4 2HH1 ARG 4 4.911 7.080 5.387
29 1HH2 ARG 4 1HH2 ARG 4 5.404 7.018 1.919
30 2HH2 ARG 4 2HH2 ARG 4 4.245 6.841 3.210
31 H GLY 5 H GLY 5 11.501 3.118 5.216
32 1HA GLY 5 1HA GLY 5 11.200 1.571 6.907
33 2HA GLY 5 2HA GLY 5 9.514 1.438 6.432
34 H SER 6 H SER 6 8.928 -0.029 4.805
35 HA SER 6 HA SER 6 10.555 -2.395 4.753
36 1HB SER 6 1HB SER 6 8.501 -3.290 4.576
37 2HB SER 6 2HB SER 6 7.799 -1.705 4.272
38 HG SER 6 HG SER 6 8.104 -1.985 2.090
39 H THR 7 H THR 7 11.641 -3.262 3.026
40 HA THR 7 HA THR 7 12.057 -1.441 0.761
41 HB THR 7 HB THR 7 14.225 -3.133 0.765
42 HG1 THR 7 HG1 THR 7 13.554 -2.482 3.469
43 1HG2 THR 7 1HG2 THR 7 13.812 -0.422 2.012
44 2HG2 THR 7 2HG2 THR 7 14.462 -0.794 0.416
45 3HG2 THR 7 3HG2 THR 7 15.401 -1.169 1.860
46 H GLY 8 H GLY 8 10.154 -2.518 -0.183
47 1HA GLY 8 1HA GLY 8 9.235 -3.928 -1.715
48 2HA GLY 8 2HA GLY 8 10.870 -4.415 -2.129
49 H ILE 9 H ILE 9 9.354 -4.781 0.979
50 HA ILE 9 HA ILE 9 9.859 -7.635 0.952
51 HB ILE 9 HB ILE 9 8.332 -6.154 3.085
52 1HG1 ILE 9 1HG1 ILE 9 11.343 -6.406 2.874
53 2HG1 ILE 9 2HG1 ILE 9 10.433 -4.927 2.583
54 1HG2 ILE 9 1HG2 ILE 9 9.643 -8.781 2.826
55 2HG2 ILE 9 2HG2 ILE 9 9.886 -7.949 4.362
56 3HG2 ILE 9 3HG2 ILE 9 8.252 -8.294 3.795
57 1HD1 ILE 9 1HD1 ILE 9 10.390 -4.450 4.739
58 2HD1 ILE 9 2HD1 ILE 9 9.781 -6.052 5.151
59 3HD1 ILE 9 3HD1 ILE 9 11.516 -5.784 4.985
60 H LYS 10 H LYS 10 8.121 -9.197 1.446
61 HA LYS 10 HA LYS 10 6.146 -10.219 1.043
62 1HB LYS 10 1HB LYS 10 5.403 -7.544 1.944
63 2HB LYS 10 2HB LYS 10 4.172 -8.303 0.942
64 1HG LYS 10 1HG LYS 10 3.551 -9.650 2.584
65 2HG LYS 10 2HG LYS 10 5.213 -10.167 2.876
66 1HD LYS 10 1HD LYS 10 4.758 -7.467 3.821
67 2HD LYS 10 2HD LYS 10 3.627 -8.608 4.552
68 1HE LYS 10 1HE LYS 10 5.573 -10.051 5.139
69 2HE LYS 10 2HE LYS 10 6.638 -8.775 4.548
70 1HZ LYS 10 1HZ LYS 10 5.917 -8.968 7.074
71 2HZ LYS 10 2HZ LYS 10 4.630 -8.012 6.522
72 3HZ LYS 10 3HZ LYS 10 6.228 -7.474 6.333
73 HA PRO 11 HA PRO 11 5.607 -10.258 -3.277
74 1HB PRO 11 1HB PRO 11 3.109 -11.395 -3.480
75 2HB PRO 11 2HB PRO 11 4.591 -12.296 -3.147
76 1HG PRO 11 1HG PRO 11 2.514 -11.300 -1.241
77 2HG PRO 11 2HG PRO 11 3.346 -12.865 -1.269
78 1HD PRO 11 1HD PRO 11 4.064 -10.932 0.440
79 2HD PRO 11 2HD PRO 11 5.276 -11.986 -0.316
80 H PHE 12 H PHE 12 3.394 -8.512 -1.305
81 HA PHE 12 HA PHE 12 2.567 -6.946 -3.636
82 1HB PHE 12 1HB PHE 12 0.782 -7.767 -1.335
83 2HB PHE 12 2HB PHE 12 0.323 -6.677 -2.642
84 HD1 PHE 12 HD1 PHE 12 0.218 -9.978 -1.499
85 HD2 PHE 12 HD2 PHE 12 0.632 -7.684 -5.059
86 HE1 PHE 12 HE1 PHE 12 -0.548 -11.902 -2.822
87 HE2 PHE 12 HE2 PHE 12 -0.130 -9.607 -6.391
88 HZ PHE 12 HZ PHE 12 -0.722 -11.721 -5.273
89 H GLN 13 H GLN 13 3.967 -5.296 -3.220
90 HA GLN 13 HA GLN 13 3.869 -3.981 -0.603
91 1HB GLN 13 1HB GLN 13 5.985 -3.261 -0.984
92 2HB GLN 13 2HB GLN 13 6.010 -4.613 -2.109
93 1HG GLN 13 1HG GLN 13 5.054 -2.761 -3.747
94 2HG GLN 13 2HG GLN 13 5.900 -1.709 -2.621
95 1HE2 GLN 13 1HE2 GLN 13 8.184 -2.300 -2.182
96 2HE2 GLN 13 2HE2 GLN 13 9.122 -2.891 -3.518
97 H CYS 14 H CYS 14 3.610 -1.617 -0.531
98 HA CYS 14 HA CYS 14 1.633 -0.666 -2.385
99 1HB CYS 14 1HB CYS 14 1.506 0.185 -0.117
100 2HB CYS 14 2HB CYS 14 3.150 0.808 -0.216
101 HA PRO 15 HA PRO 15 4.732 0.847 -5.239
102 1HB PRO 15 1HB PRO 15 3.067 1.829 -7.099
103 2HB PRO 15 2HB PRO 15 3.265 0.090 -6.859
104 1HG PRO 15 1HG PRO 15 1.079 1.896 -5.908
105 2HG PRO 15 2HG PRO 15 0.966 0.264 -6.590
106 1HD PRO 15 1HD PRO 15 0.873 0.821 -3.903
107 2HD PRO 15 2HD PRO 15 1.394 -0.732 -4.579
108 H ASP 16 H ASP 16 2.897 2.586 -3.149
109 HA ASP 16 HA ASP 16 3.792 5.187 -4.222
110 1HB ASP 16 1HB ASP 16 1.276 4.662 -3.767
111 2HB ASP 16 2HB ASP 16 1.710 4.883 -2.077
112 H CYS 17 H CYS 17 3.507 3.219 -1.315
113 HA CYS 17 HA CYS 17 5.292 5.064 0.109
114 1HB CYS 17 1HB CYS 17 3.661 2.804 1.267
115 2HB CYS 17 2HB CYS 17 4.481 4.083 2.154
116 H ASP 18 H ASP 18 4.938 1.801 -0.968
117 HA ASP 18 HA ASP 18 6.385 0.048 -1.159
118 1HB ASP 18 1HB ASP 18 8.262 1.998 -0.998
119 2HB ASP 18 2HB ASP 18 8.572 1.131 0.505
120 H ARG 19 H ARG 19 4.416 0.116 0.529
121 HA ARG 19 HA ARG 19 5.264 -0.765 3.164
122 1HB ARG 19 1HB ARG 19 2.517 -1.135 1.994
123 2HB ARG 19 2HB ARG 19 2.977 -0.974 3.681
124 1HG ARG 19 1HG ARG 19 3.797 1.399 2.483
125 2HG ARG 19 2HG ARG 19 2.214 1.048 1.788
126 1HD ARG 19 1HD ARG 19 2.862 1.136 4.730
127 2HD ARG 19 2HD ARG 19 2.044 2.406 3.822
128 HE ARG 19 HE ARG 19 0.276 0.661 3.383
129 1HH1 ARG 19 1HH1 ARG 19 2.352 0.529 6.209
130 2HH1 ARG 19 2HH1 ARG 19 1.180 -0.308 7.188
131 1HH2 ARG 19 1HH2 ARG 19 -1.282 -0.432 4.721
132 2HH2 ARG 19 2HH2 ARG 19 -0.858 -0.852 6.352
133 H SER 20 H SER 20 3.682 -3.029 3.542
134 HA SER 20 HA SER 20 4.178 -4.806 1.318
135 1HB SER 20 1HB SER 20 5.336 -6.287 3.346
136 2HB SER 20 2HB SER 20 6.184 -5.492 2.019
137 HG SER 20 HG SER 20 6.716 -3.831 3.305
138 H PHE 21 H PHE 21 2.635 -6.204 1.144
139 HA PHE 21 HA PHE 21 1.188 -7.114 3.535
140 1HB PHE 21 1HB PHE 21 -0.215 -6.476 0.941
141 2HB PHE 21 2HB PHE 21 -0.938 -6.815 2.507
142 HD1 PHE 21 HD1 PHE 21 -1.328 -5.099 4.070
143 HD2 PHE 21 HD2 PHE 21 0.959 -4.310 0.569
144 HE1 PHE 21 HE1 PHE 21 -1.447 -2.690 4.538
145 HE2 PHE 21 HE2 PHE 21 0.842 -1.900 1.033
146 HZ PHE 21 HZ PHE 21 -0.356 -1.087 3.018
147 H SER 22 H SER 22 0.534 -9.248 3.460
148 HA SER 22 HA SER 22 1.797 -10.914 1.496
149 1HB SER 22 1HB SER 22 -0.195 -12.251 3.142
150 2HB SER 22 2HB SER 22 1.549 -12.502 3.064
151 HG SER 22 HG SER 22 0.091 -11.190 4.924
152 H ARG 23 H ARG 23 -1.345 -9.543 2.007
153 HA ARG 23 HA ARG 23 -2.439 -11.080 -0.254
154 1HB ARG 23 1HB ARG 23 -3.980 -9.462 1.774
155 2HB ARG 23 2HB ARG 23 -4.631 -10.592 0.596
156 1HG ARG 23 1HG ARG 23 -3.853 -12.448 1.771
157 2HG ARG 23 2HG ARG 23 -2.723 -11.483 2.723
158 1HD ARG 23 1HD ARG 23 -4.816 -12.279 3.915
159 2HD ARG 23 2HD ARG 23 -4.445 -10.560 4.031
160 HE ARG 23 HE ARG 23 -6.262 -10.086 2.609
161 1HH1 ARG 23 1HH1 ARG 23 -5.941 -13.526 3.215
162 2HH1 ARG 23 2HH1 ARG 23 -7.582 -13.884 2.761
163 1HH2 ARG 23 1HH2 ARG 23 -8.380 -10.539 1.998
164 2HH2 ARG 23 2HH2 ARG 23 -8.981 -12.176 2.058
165 H SER 24 H SER 24 -3.157 -10.078 -2.028
166 HA SER 24 HA SER 24 -2.372 -7.400 -2.614
167 1HB SER 24 1HB SER 24 -2.823 -9.456 -4.200
168 2HB SER 24 2HB SER 24 -4.481 -8.858 -4.180
169 HG SER 24 HG SER 24 -3.595 -7.800 -5.841
170 H ASP 25 H ASP 25 -5.201 -8.942 -1.361
171 HA ASP 25 HA ASP 25 -7.078 -6.889 -1.773
172 1HB ASP 25 1HB ASP 25 -8.275 -8.664 -1.122
173 2HB ASP 25 2HB ASP 25 -6.898 -9.394 -0.326
174 H HIS 26 H HIS 26 -4.787 -7.534 0.828
175 HA HIS 26 HA HIS 26 -5.700 -5.436 2.531
176 1HB HIS 26 1HB HIS 26 -3.423 -7.323 2.483
177 2HB HIS 26 2HB HIS 26 -3.139 -5.806 3.331
178 HD1 HIS 26 HD1 HIS 26 -3.206 -6.621 5.712
179 HD2 HIS 26 HD2 HIS 26 -6.522 -7.815 3.500
180 HE1 HIS 26 HE1 HIS 26 -4.773 -7.698 7.360
181 HE2 HIS 26 HE2 HIS 26 -6.655 -8.615 5.956
182 H LEU 27 H LEU 27 -3.372 -5.700 -0.056
183 HA LEU 27 HA LEU 27 -2.004 -3.266 0.195
184 1HB LEU 27 1HB LEU 27 -1.563 -5.145 -1.460
185 2HB LEU 27 2HB LEU 27 -2.907 -4.527 -2.396
186 HG LEU 27 HG LEU 27 -1.716 -2.836 -3.259
187 1HD1 LEU 27 1HD1 LEU 27 0.258 -2.477 -1.084
188 2HD1 LEU 27 2HD1 LEU 27 -0.515 -1.286 -2.133
189 3HD1 LEU 27 3HD1 LEU 27 -1.409 -1.981 -0.780
190 1HD2 LEU 27 1HD2 LEU 27 0.492 -4.628 -2.292
191 2HD2 LEU 27 2HD2 LEU 27 -0.369 -4.717 -3.829
192 3HD2 LEU 27 3HD2 LEU 27 0.693 -3.350 -3.491
193 H ALA 28 H ALA 28 -4.831 -4.059 -1.785
194 HA ALA 28 HA ALA 28 -5.459 -1.527 -2.697
195 1HB ALA 28 1HB ALA 28 -7.501 -2.413 -3.411
196 2HB ALA 28 2HB ALA 28 -6.420 -3.806 -3.379
197 3HB ALA 28 3HB ALA 28 -7.579 -3.559 -2.073
198 H LEU 29 H LEU 29 -6.451 -3.110 0.314
199 HA LEU 29 HA LEU 29 -8.363 -1.267 1.175
200 1HB LEU 29 1HB LEU 29 -6.442 -2.937 2.790
201 2HB LEU 29 2HB LEU 29 -7.782 -2.038 3.473
202 HG LEU 29 HG LEU 29 -8.063 -4.268 1.462
203 1HD1 LEU 29 1HD1 LEU 29 -7.388 -5.380 3.362
204 2HD1 LEU 29 2HD1 LEU 29 -8.135 -4.206 4.446
205 3HD1 LEU 29 3HD1 LEU 29 -9.141 -5.353 3.561
206 1HD2 LEU 29 1HD2 LEU 29 -10.452 -4.161 2.126
207 2HD2 LEU 29 2HD2 LEU 29 -10.095 -2.700 3.048
208 3HD2 LEU 29 3HD2 LEU 29 -9.890 -2.710 1.297
209 H HIS 30 H HIS 30 -4.864 -1.334 1.811
210 HA HIS 30 HA HIS 30 -4.830 1.121 3.258
211 1HB HIS 30 1HB HIS 30 -2.928 -0.123 3.703
212 2HB HIS 30 2HB HIS 30 -2.762 -0.662 2.036
213 HD1 HIS 30 HD1 HIS 30 -2.221 2.509 4.101
214 HD2 HIS 30 HD2 HIS 30 -0.904 0.689 0.593
215 HE1 HIS 30 HE1 HIS 30 -0.358 3.958 3.194
216 H ARG 31 H ARG 31 -4.483 0.239 -0.105
217 HA ARG 31 HA ARG 31 -3.485 2.751 -0.957
218 1HB ARG 31 1HB ARG 31 -4.616 0.373 -2.402
219 2HB ARG 31 2HB ARG 31 -4.136 1.837 -3.252
220 1HG ARG 31 1HG ARG 31 -1.920 1.469 -1.845
221 2HG ARG 31 2HG ARG 31 -2.467 -0.205 -1.908
222 1HD ARG 31 1HD ARG 31 -1.080 0.056 -3.784
223 2HD ARG 31 2HD ARG 31 -2.727 0.146 -4.417
224 HE ARG 31 HE ARG 31 -0.819 2.350 -4.163
225 1HH1 ARG 31 1HH1 ARG 31 -3.953 1.184 -5.188
226 2HH1 ARG 31 2HH1 ARG 31 -4.321 2.604 -6.123
227 1HH2 ARG 31 1HH2 ARG 31 -1.266 4.207 -5.457
228 2HH2 ARG 31 2HH2 ARG 31 -2.799 4.313 -6.281
229 H LYS 32 H LYS 32 -6.445 2.098 0.233
230 HA LYS 32 HA LYS 32 -8.198 3.392 -1.591
231 1HB LYS 32 1HB LYS 32 -8.341 2.290 1.070
232 2HB LYS 32 2HB LYS 32 -9.156 3.846 1.012
233 1HG LYS 32 1HG LYS 32 -10.825 2.312 0.517
234 2HG LYS 32 2HG LYS 32 -10.342 2.938 -1.062
235 1HD LYS 32 1HD LYS 32 -8.652 0.860 -0.862
236 2HD LYS 32 2HD LYS 32 -9.996 0.244 0.105
237 1HE LYS 32 1HE LYS 32 -10.791 1.508 -2.418
238 2HE LYS 32 2HE LYS 32 -9.803 0.059 -2.608
239 1HZ LYS 32 1HZ LYS 32 -12.236 -0.352 -2.532
240 2HZ LYS 32 2HZ LYS 32 -12.241 0.180 -0.919
241 3HZ LYS 32 3HZ LYS 32 -11.359 -1.203 -1.354
242 H ARG 33 H ARG 33 -5.951 4.480 0.820
243 HA ARG 33 HA ARG 33 -6.902 7.203 0.839
244 1HB ARG 33 1HB ARG 33 -4.328 6.011 1.891
245 2HB ARG 33 2HB ARG 33 -4.877 7.655 2.183
246 1HG ARG 33 1HG ARG 33 -7.022 6.184 3.012
247 2HG ARG 33 2HG ARG 33 -5.662 5.155 3.462
248 1HD ARG 33 1HD ARG 33 -5.306 6.433 5.236
249 2HD ARG 33 2HD ARG 33 -4.967 7.794 4.168
250 HE ARG 33 HE ARG 33 -7.127 8.597 4.511
251 1HH1 ARG 33 1HH1 ARG 33 -6.679 5.499 6.100
252 2HH1 ARG 33 2HH1 ARG 33 -8.090 5.668 7.102
253 1HH2 ARG 33 1HH2 ARG 33 -8.987 8.813 5.840
254 2HH2 ARG 33 2HH2 ARG 33 -9.416 7.529 6.931
255 H HIS 34 H HIS 34 -5.313 5.391 -1.399
256 HA HIS 34 HA HIS 34 -3.697 7.632 -2.383
257 1HB HIS 34 1HB HIS 34 -3.733 4.701 -3.110
258 2HB HIS 34 2HB HIS 34 -2.782 5.904 -3.975
259 HD1 HIS 34 HD1 HIS 34 -1.419 7.475 -1.863
260 HD2 HIS 34 HD2 HIS 34 -2.047 3.382 -1.500
261 HE1 HIS 34 HE1 HIS 34 0.248 6.644 -0.154
262 H MET 35 H MET 35 -6.732 6.504 -2.604
263 HA MET 35 HA MET 35 -7.161 6.936 -5.443
264 1HB MET 35 1HB MET 35 -9.049 6.459 -3.132
265 2HB MET 35 2HB MET 35 -9.590 6.729 -4.783
266 1HG MET 35 1HG MET 35 -8.463 4.734 -5.524
267 2HG MET 35 2HG MET 35 -7.769 4.493 -3.923
268 1HE MET 35 1HE MET 35 -10.666 2.049 -5.352
269 2HE MET 35 2HE MET 35 -11.342 3.557 -5.967
270 3HE MET 35 3HE MET 35 -9.634 3.191 -6.213
271 H LEU 36 H LEU 36 -7.353 8.596 -2.418
272 HA LEU 36 HA LEU 36 -7.900 11.096 -3.846
273 1HB LEU 36 1HB LEU 36 -8.744 10.836 -0.997
274 2HB LEU 36 2HB LEU 36 -9.368 11.889 -2.252
275 HG LEU 36 HG LEU 36 -10.020 9.305 -3.102
276 1HD1 LEU 36 1HD1 LEU 36 -10.930 9.568 -0.259
277 2HD1 LEU 36 2HD1 LEU 36 -10.970 8.155 -1.316
278 3HD1 LEU 36 3HD1 LEU 36 -9.435 8.726 -0.664
279 1HD2 LEU 36 1HD2 LEU 36 -11.441 11.674 -2.018
280 2HD2 LEU 36 2HD2 LEU 36 -11.586 10.884 -3.588
281 3HD2 LEU 36 3HD2 LEU 36 -12.344 10.168 -2.166
282 H VAL 37 H VAL 37 -5.767 11.636 -3.944
283 HA VAL 37 HA VAL 37 -3.986 11.248 -1.765
284 HB VAL 37 HB VAL 37 -3.607 12.945 -4.239
285 1HG1 VAL 37 1HG1 VAL 37 -2.053 13.080 -2.083
286 2HG1 VAL 37 2HG1 VAL 37 -1.338 11.655 -2.838
287 3HG1 VAL 37 3HG1 VAL 37 -1.407 13.179 -3.721
288 1HG2 VAL 37 1HG2 VAL 37 -3.007 10.041 -3.702
289 2HG2 VAL 37 2HG2 VAL 37 -4.098 10.709 -4.917
290 3HG2 VAL 37 3HG2 VAL 37 -2.356 10.941 -5.072
Start of MODEL 8
1 1H GLY 1 1H GLY 1 8.766 -1.244 -6.226
2 2H GLY 1 2H GLY 1 8.131 -0.575 -7.647
3 3H GLY 1 3H GLY 1 7.117 -0.854 -6.316
4 1HA GLY 1 1HA GLY 1 9.170 1.224 -6.692
5 2HA GLY 1 2HA GLY 1 7.489 1.410 -6.212
6 H SER 2 H SER 2 10.657 0.308 -5.149
7 HA SER 2 HA SER 2 9.767 0.392 -2.356
8 1HB SER 2 1HB SER 2 12.569 -0.340 -3.092
9 2HB SER 2 2HB SER 2 11.533 -0.992 -1.821
10 HG SER 2 HG SER 2 10.284 -1.709 -3.909
11 H THR 3 H THR 3 11.082 1.580 -0.788
12 HA THR 3 HA THR 3 12.559 3.829 -1.981
13 HB THR 3 HB THR 3 11.560 5.421 -0.523
14 HG1 THR 3 HG1 THR 3 10.609 3.129 0.835
15 1HG2 THR 3 1HG2 THR 3 9.707 3.641 -1.998
16 2HG2 THR 3 2HG2 THR 3 10.024 5.366 -2.199
17 3HG2 THR 3 3HG2 THR 3 8.983 4.807 -0.891
18 H ARG 4 H ARG 4 13.126 5.033 0.551
19 HA ARG 4 HA ARG 4 15.213 3.245 1.471
20 1HB ARG 4 1HB ARG 4 14.529 6.116 1.872
21 2HB ARG 4 2HB ARG 4 15.502 5.324 3.103
22 1HG ARG 4 1HG ARG 4 17.174 4.742 1.446
23 2HG ARG 4 2HG ARG 4 16.182 5.453 0.171
24 1HD ARG 4 1HD ARG 4 17.519 6.869 2.470
25 2HD ARG 4 2HD ARG 4 17.867 7.041 0.750
26 HE ARG 4 HE ARG 4 15.670 8.247 2.230
27 1HH1 ARG 4 1HH1 ARG 4 17.065 7.503 -0.907
28 2HH1 ARG 4 2HH1 ARG 4 16.119 8.695 -1.750
29 1HH2 ARG 4 1HH2 ARG 4 14.426 9.814 1.121
30 2HH2 ARG 4 2HH2 ARG 4 14.656 10.046 -0.589
31 H GLY 5 H GLY 5 13.036 1.943 2.035
32 1HA GLY 5 1HA GLY 5 12.910 2.037 4.943
33 2HA GLY 5 2HA GLY 5 11.387 2.264 4.091
34 H SER 6 H SER 6 10.582 0.556 2.786
35 HA SER 6 HA SER 6 11.608 -2.082 3.595
36 1HB SER 6 1HB SER 6 9.014 -2.179 2.329
37 2HB SER 6 2HB SER 6 9.480 -2.692 3.951
38 HG SER 6 HG SER 6 8.598 -0.142 3.078
39 H THR 7 H THR 7 12.920 -2.880 2.074
40 HA THR 7 HA THR 7 12.752 -1.951 -0.623
41 HB THR 7 HB THR 7 14.587 -4.024 -0.615
42 HG1 THR 7 HG1 THR 7 15.122 -4.367 1.395
43 1HG2 THR 7 1HG2 THR 7 15.003 -1.114 0.080
44 2HG2 THR 7 2HG2 THR 7 14.927 -1.794 -1.545
45 3HG2 THR 7 3HG2 THR 7 16.257 -2.225 -0.472
46 H GLY 8 H GLY 8 10.581 -2.775 -0.971
47 1HA GLY 8 1HA GLY 8 9.126 -4.184 -2.017
48 2HA GLY 8 2HA GLY 8 10.555 -4.846 -2.788
49 H ILE 9 H ILE 9 9.501 -4.959 0.583
50 HA ILE 9 HA ILE 9 9.914 -7.823 0.678
51 HB ILE 9 HB ILE 9 8.520 -6.233 2.811
52 1HG1 ILE 9 1HG1 ILE 9 11.522 -6.460 2.632
53 2HG1 ILE 9 2HG1 ILE 9 10.645 -5.069 2.004
54 1HG2 ILE 9 1HG2 ILE 9 10.501 -8.126 3.690
55 2HG2 ILE 9 2HG2 ILE 9 8.772 -8.071 4.037
56 3HG2 ILE 9 3HG2 ILE 9 9.355 -8.888 2.585
57 1HD1 ILE 9 1HD1 ILE 9 10.223 -5.928 4.827
58 2HD1 ILE 9 2HD1 ILE 9 11.656 -5.000 4.385
59 3HD1 ILE 9 3HD1 ILE 9 10.051 -4.330 4.099
60 H LYS 10 H LYS 10 8.145 -9.289 1.339
61 HA LYS 10 HA LYS 10 6.108 -10.244 1.091
62 1HB LYS 10 1HB LYS 10 5.558 -7.562 1.992
63 2HB LYS 10 2HB LYS 10 4.273 -8.135 0.932
64 1HG LYS 10 1HG LYS 10 3.441 -9.383 2.553
65 2HG LYS 10 2HG LYS 10 4.986 -10.217 2.746
66 1HD LYS 10 1HD LYS 10 4.899 -7.516 3.881
67 2HD LYS 10 2HD LYS 10 3.806 -8.673 4.645
68 1HE LYS 10 1HE LYS 10 5.717 -10.233 4.900
69 2HE LYS 10 2HE LYS 10 6.780 -8.981 4.258
70 1HZ LYS 10 1HZ LYS 10 6.406 -7.627 6.116
71 2HZ LYS 10 2HZ LYS 10 6.643 -9.185 6.751
72 3HZ LYS 10 3HZ LYS 10 5.075 -8.542 6.639
73 HA PRO 11 HA PRO 11 5.361 -10.549 -3.189
74 1HB PRO 11 1HB PRO 11 2.720 -11.366 -3.182
75 2HB PRO 11 2HB PRO 11 4.109 -12.426 -2.922
76 1HG PRO 11 1HG PRO 11 2.309 -11.134 -0.916
77 2HG PRO 11 2HG PRO 11 2.973 -12.778 -0.928
78 1HD PRO 11 1HD PRO 11 4.018 -10.883 0.637
79 2HD PRO 11 2HD PRO 11 5.061 -12.063 -0.182
80 H PHE 12 H PHE 12 3.169 -8.622 -1.265
81 HA PHE 12 HA PHE 12 2.560 -7.012 -3.641
82 1HB PHE 12 1HB PHE 12 0.672 -7.705 -1.382
83 2HB PHE 12 2HB PHE 12 0.294 -6.668 -2.755
84 HD1 PHE 12 HD1 PHE 12 0.761 -7.835 -5.111
85 HD2 PHE 12 HD2 PHE 12 -0.047 -9.872 -1.466
86 HE1 PHE 12 HE1 PHE 12 0.011 -9.802 -6.381
87 HE2 PHE 12 HE2 PHE 12 -0.795 -11.845 -2.727
88 HZ PHE 12 HZ PHE 12 -0.763 -11.814 -5.190
89 H GLN 13 H GLN 13 4.080 -5.439 -3.130
90 HA GLN 13 HA GLN 13 3.792 -4.087 -0.547
91 1HB GLN 13 1HB GLN 13 5.962 -3.455 -0.720
92 2HB GLN 13 2HB GLN 13 6.052 -4.783 -1.863
93 1HG GLN 13 1HG GLN 13 5.974 -3.341 -3.707
94 2HG GLN 13 2HG GLN 13 5.429 -1.986 -2.733
95 1HE2 GLN 13 1HE2 GLN 13 7.222 -2.119 -0.621
96 2HE2 GLN 13 2HE2 GLN 13 8.803 -1.757 -1.214
97 H CYS 14 H CYS 14 3.693 -1.690 -0.555
98 HA CYS 14 HA CYS 14 1.794 -0.732 -2.512
99 1HB CYS 14 1HB CYS 14 1.592 0.055 -0.180
100 2HB CYS 14 2HB CYS 14 3.167 0.841 -0.316
101 HA PRO 15 HA PRO 15 5.103 0.776 -5.158
102 1HB PRO 15 1HB PRO 15 3.530 1.788 -7.096
103 2HB PRO 15 2HB PRO 15 3.809 0.051 -6.923
104 1HG PRO 15 1HG PRO 15 1.463 1.695 -6.057
105 2HG PRO 15 2HG PRO 15 1.490 0.090 -6.810
106 1HD PRO 15 1HD PRO 15 1.151 0.508 -4.129
107 2HD PRO 15 2HD PRO 15 1.853 -0.970 -4.812
108 H ASP 16 H ASP 16 2.881 2.455 -3.305
109 HA ASP 16 HA ASP 16 3.750 5.091 -4.251
110 1HB ASP 16 1HB ASP 16 1.338 4.013 -2.941
111 2HB ASP 16 2HB ASP 16 1.860 5.583 -2.363
112 H CYS 17 H CYS 17 3.713 2.940 -1.490
113 HA CYS 17 HA CYS 17 5.166 4.944 0.086
114 1HB CYS 17 1HB CYS 17 3.567 2.555 1.005
115 2HB CYS 17 2HB CYS 17 4.393 3.696 2.063
116 H ASP 18 H ASP 18 5.221 1.680 -1.029
117 HA ASP 18 HA ASP 18 6.856 0.119 -1.187
118 1HB ASP 18 1HB ASP 18 9.054 0.513 -0.846
119 2HB ASP 18 2HB ASP 18 8.518 2.178 -0.819
120 H ARG 19 H ARG 19 4.766 0.696 0.837
121 HA ARG 19 HA ARG 19 5.384 -0.670 3.252
122 1HB ARG 19 1HB ARG 19 2.954 0.217 1.829
123 2HB ARG 19 2HB ARG 19 2.738 -1.180 2.875
124 1HG ARG 19 1HG ARG 19 3.073 0.012 4.769
125 2HG ARG 19 2HG ARG 19 4.198 1.125 3.996
126 1HD ARG 19 1HD ARG 19 2.319 2.432 4.423
127 2HD ARG 19 2HD ARG 19 2.167 2.003 2.721
128 HE ARG 19 HE ARG 19 0.313 0.735 3.214
129 1HH1 ARG 19 1HH1 ARG 19 1.871 1.829 6.153
130 2HH1 ARG 19 2HH1 ARG 19 0.624 1.235 7.208
131 1HH2 ARG 19 1HH2 ARG 19 -1.348 -0.063 4.614
132 2HH2 ARG 19 2HH2 ARG 19 -1.209 0.157 6.332
133 H SER 20 H SER 20 3.912 -2.858 3.623
134 HA SER 20 HA SER 20 4.275 -4.589 1.295
135 1HB SER 20 1HB SER 20 5.368 -6.112 3.364
136 2HB SER 20 2HB SER 20 6.233 -5.402 2.002
137 HG SER 20 HG SER 20 6.173 -3.419 3.473
138 H PHE 21 H PHE 21 2.755 -6.062 1.096
139 HA PHE 21 HA PHE 21 1.265 -6.943 3.467
140 1HB PHE 21 1HB PHE 21 -0.065 -6.195 0.853
141 2HB PHE 21 2HB PHE 21 -0.852 -6.636 2.365
142 HD1 PHE 21 HD1 PHE 21 1.025 -4.010 0.607
143 HD2 PHE 21 HD2 PHE 21 -1.159 -5.049 4.109
144 HE1 PHE 21 HE1 PHE 21 0.949 -1.644 1.254
145 HE2 PHE 21 HE2 PHE 21 -1.233 -2.679 4.767
146 HZ PHE 21 HZ PHE 21 -0.166 -0.979 3.341
147 H SER 22 H SER 22 0.437 -9.038 3.315
148 HA SER 22 HA SER 22 1.709 -10.686 1.287
149 1HB SER 22 1HB SER 22 0.017 -12.225 2.989
150 2HB SER 22 2HB SER 22 1.780 -12.158 2.980
151 HG SER 22 HG SER 22 0.088 -11.222 4.819
152 H ARG 23 H ARG 23 -1.226 -9.119 1.826
153 HA ARG 23 HA ARG 23 -2.620 -10.826 -0.132
154 1HB ARG 23 1HB ARG 23 -3.873 -8.955 1.885
155 2HB ARG 23 2HB ARG 23 -4.714 -10.067 0.815
156 1HG ARG 23 1HG ARG 23 -3.781 -11.960 1.998
157 2HG ARG 23 2HG ARG 23 -2.846 -10.875 3.034
158 1HD ARG 23 1HD ARG 23 -4.967 -11.762 4.048
159 2HD ARG 23 2HD ARG 23 -4.810 -10.006 4.044
160 HE ARG 23 HE ARG 23 -6.562 -9.854 2.535
161 1HH1 ARG 23 1HH1 ARG 23 -5.704 -13.216 3.088
162 2HH1 ARG 23 2HH1 ARG 23 -7.083 -13.833 2.223
163 1HH2 ARG 23 1HH2 ARG 23 -8.393 -10.688 1.442
164 2HH2 ARG 23 2HH2 ARG 23 -8.602 -12.404 1.301
165 H SER 24 H SER 24 -3.296 -9.956 -1.963
166 HA SER 24 HA SER 24 -2.539 -7.335 -2.782
167 1HB SER 24 1HB SER 24 -3.539 -9.687 -3.998
168 2HB SER 24 2HB SER 24 -4.706 -8.420 -4.348
169 HG SER 24 HG SER 24 -2.734 -7.151 -4.969
170 H ASP 25 H ASP 25 -5.302 -8.778 -1.283
171 HA ASP 25 HA ASP 25 -7.191 -6.717 -1.689
172 1HB ASP 25 1HB ASP 25 -8.385 -8.426 -0.873
173 2HB ASP 25 2HB ASP 25 -6.960 -9.200 -0.215
174 H HIS 26 H HIS 26 -5.021 -7.471 1.000
175 HA HIS 26 HA HIS 26 -5.711 -5.251 2.588
176 1HB HIS 26 1HB HIS 26 -3.668 -7.341 2.656
177 2HB HIS 26 2HB HIS 26 -3.097 -5.804 3.303
178 HD1 HIS 26 HD1 HIS 26 -3.183 -6.193 5.790
179 HD2 HIS 26 HD2 HIS 26 -6.685 -7.349 3.856
180 HE1 HIS 26 HE1 HIS 26 -4.812 -6.785 7.616
181 HE2 HIS 26 HE2 HIS 26 -6.961 -7.358 6.428
182 H LEU 27 H LEU 27 -3.401 -5.675 0.003
183 HA LEU 27 HA LEU 27 -1.961 -3.267 0.201
184 1HB LEU 27 1HB LEU 27 -1.563 -5.196 -1.413
185 2HB LEU 27 2HB LEU 27 -2.892 -4.561 -2.361
186 HG LEU 27 HG LEU 27 -1.639 -2.927 -3.269
187 1HD1 LEU 27 1HD1 LEU 27 -0.417 -1.369 -2.159
188 2HD1 LEU 27 2HD1 LEU 27 -1.365 -2.000 -0.811
189 3HD1 LEU 27 3HD1 LEU 27 0.296 -2.546 -1.054
190 1HD2 LEU 27 1HD2 LEU 27 0.643 -3.530 -3.632
191 2HD2 LEU 27 2HD2 LEU 27 0.660 -4.527 -2.177
192 3HD2 LEU 27 3HD2 LEU 27 -0.324 -5.004 -3.561
193 H ALA 28 H ALA 28 -4.770 -4.032 -1.839
194 HA ALA 28 HA ALA 28 -5.321 -1.454 -2.698
195 1HB ALA 28 1HB ALA 28 -6.283 -3.524 -3.658
196 2HB ALA 28 2HB ALA 28 -7.344 -3.646 -2.253
197 3HB ALA 28 3HB ALA 28 -7.488 -2.273 -3.350
198 H LEU 29 H LEU 29 -6.522 -3.163 0.180
199 HA LEU 29 HA LEU 29 -8.397 -1.325 1.067
200 1HB LEU 29 1HB LEU 29 -6.554 -3.127 2.602
201 2HB LEU 29 2HB LEU 29 -7.782 -2.147 3.378
202 HG LEU 29 HG LEU 29 -8.295 -4.315 1.340
203 1HD1 LEU 29 1HD1 LEU 29 -9.231 -5.559 3.187
204 2HD1 LEU 29 2HD1 LEU 29 -7.557 -5.132 3.544
205 3HD1 LEU 29 3HD1 LEU 29 -8.875 -4.235 4.298
206 1HD2 LEU 29 1HD2 LEU 29 -10.234 -2.630 2.927
207 2HD2 LEU 29 2HD2 LEU 29 -9.924 -2.490 1.197
208 3HD2 LEU 29 3HD2 LEU 29 -10.655 -3.958 1.846
209 H HIS 30 H HIS 30 -4.903 -1.346 1.584
210 HA HIS 30 HA HIS 30 -4.906 1.057 3.155
211 1HB HIS 30 1HB HIS 30 -2.976 -0.130 3.600
212 2HB HIS 30 2HB HIS 30 -2.811 -0.699 1.944
213 HD1 HIS 30 HD1 HIS 30 -2.367 2.556 3.896
214 HD2 HIS 30 HD2 HIS 30 -0.941 0.602 0.506
215 HE1 HIS 30 HE1 HIS 30 -0.558 4.028 2.926
216 H ARG 31 H ARG 31 -4.408 0.219 -0.227
217 HA ARG 31 HA ARG 31 -3.573 2.829 -0.975
218 1HB ARG 31 1HB ARG 31 -4.451 0.461 -2.619
219 2HB ARG 31 2HB ARG 31 -3.854 1.966 -3.311
220 1HG ARG 31 1HG ARG 31 -1.786 1.606 -1.865
221 2HG ARG 31 2HG ARG 31 -2.379 -0.037 -1.639
222 1HD ARG 31 1HD ARG 31 -0.977 -0.297 -3.440
223 2HD ARG 31 2HD ARG 31 -2.532 -0.045 -4.235
224 HE ARG 31 HE ARG 31 -0.712 2.222 -3.828
225 1HH1 ARG 31 1HH1 ARG 31 -2.307 -0.033 -5.974
226 2HH1 ARG 31 2HH1 ARG 31 -2.051 0.941 -7.394
227 1HH2 ARG 31 1HH2 ARG 31 -0.315 3.490 -5.698
228 2HH2 ARG 31 2HH2 ARG 31 -0.892 2.924 -7.244
229 H LYS 32 H LYS 32 -6.503 1.863 0.015
230 HA LYS 32 HA LYS 32 -8.224 3.206 -1.836
231 1HB LYS 32 1HB LYS 32 -8.487 1.803 0.687
232 2HB LYS 32 2HB LYS 32 -9.421 3.292 0.692
233 1HG LYS 32 1HG LYS 32 -10.771 1.425 -0.056
234 2HG LYS 32 2HG LYS 32 -10.552 2.599 -1.354
235 1HD LYS 32 1HD LYS 32 -9.793 0.966 -2.652
236 2HD LYS 32 2HD LYS 32 -8.420 0.771 -1.558
237 1HE LYS 32 1HE LYS 32 -9.174 -1.260 -1.072
238 2HE LYS 32 2HE LYS 32 -10.570 -0.504 -0.305
239 1HZ LYS 32 1HZ LYS 32 -11.112 -0.482 -3.002
240 2HZ LYS 32 2HZ LYS 32 -11.803 -1.496 -1.833
241 3HZ LYS 32 3HZ LYS 32 -10.445 -2.016 -2.708
242 H ARG 33 H ARG 33 -6.139 4.083 0.751
243 HA ARG 33 HA ARG 33 -7.198 6.712 1.181
244 1HB ARG 33 1HB ARG 33 -4.632 5.345 1.973
245 2HB ARG 33 2HB ARG 33 -4.966 7.023 2.368
246 1HG ARG 33 1HG ARG 33 -7.012 5.023 3.125
247 2HG ARG 33 2HG ARG 33 -5.497 5.019 4.029
248 1HD ARG 33 1HD ARG 33 -7.653 7.047 3.926
249 2HD ARG 33 2HD ARG 33 -6.654 6.528 5.283
250 HE ARG 33 HE ARG 33 -4.825 7.835 4.000
251 1HH1 ARG 33 1HH1 ARG 33 -8.213 8.703 4.209
252 2HH1 ARG 33 2HH1 ARG 33 -7.922 10.407 4.007
253 1HH2 ARG 33 1HH2 ARG 33 -4.442 10.063 3.711
254 2HH2 ARG 33 2HH2 ARG 33 -5.771 11.182 3.716
255 H HIS 34 H HIS 34 -5.259 5.232 -1.161
256 HA HIS 34 HA HIS 34 -3.850 7.660 -1.910
257 1HB HIS 34 1HB HIS 34 -3.867 4.858 -3.035
258 2HB HIS 34 2HB HIS 34 -3.023 6.191 -3.819
259 HD1 HIS 34 HD1 HIS 34 -1.488 7.542 -1.694
260 HD2 HIS 34 HD2 HIS 34 -2.046 3.415 -1.678
261 HE1 HIS 34 HE1 HIS 34 0.304 6.580 -0.195
262 H MET 35 H MET 35 -6.877 6.445 -2.323
263 HA MET 35 HA MET 35 -7.315 7.364 -5.040
264 1HB MET 35 1HB MET 35 -9.132 6.266 -2.903
265 2HB MET 35 2HB MET 35 -9.748 6.899 -4.423
266 1HG MET 35 1HG MET 35 -8.361 5.253 -5.627
267 2HG MET 35 2HG MET 35 -7.856 4.585 -4.076
268 1HE MET 35 1HE MET 35 -11.078 4.165 -6.755
269 2HE MET 35 2HE MET 35 -12.119 4.888 -5.527
270 3HE MET 35 3HE MET 35 -10.698 5.761 -6.104
271 H LEU 36 H LEU 36 -6.935 8.800 -2.095
272 HA LEU 36 HA LEU 36 -8.379 11.187 -3.001
273 1HB LEU 36 1HB LEU 36 -8.036 11.128 -0.125
274 2HB LEU 36 2HB LEU 36 -9.473 11.466 -1.066
275 HG LEU 36 HG LEU 36 -9.104 8.679 -1.212
276 1HD1 LEU 36 1HD1 LEU 36 -8.019 8.104 0.640
277 2HD1 LEU 36 2HD1 LEU 36 -8.020 9.766 1.236
278 3HD1 LEU 36 3HD1 LEU 36 -9.401 8.713 1.551
279 1HD2 LEU 36 1HD2 LEU 36 -11.156 8.770 0.329
280 2HD2 LEU 36 2HD2 LEU 36 -10.999 10.521 0.203
281 3HD2 LEU 36 3HD2 LEU 36 -11.265 9.554 -1.246
282 H VAL 37 H VAL 37 -5.942 10.870 -3.832
283 HA VAL 37 HA VAL 37 -4.154 12.194 -1.929
284 HB VAL 37 HB VAL 37 -3.698 10.345 -4.228
285 1HG1 VAL 37 1HG1 VAL 37 -2.390 12.306 -4.870
286 2HG1 VAL 37 2HG1 VAL 37 -1.613 12.310 -3.286
287 3HG1 VAL 37 3HG1 VAL 37 -1.348 10.964 -4.397
288 1HG2 VAL 37 1HG2 VAL 37 -3.570 9.287 -2.163
289 2HG2 VAL 37 2HG2 VAL 37 -1.883 9.591 -2.579
290 3HG2 VAL 37 3HG2 VAL 37 -2.706 10.633 -1.418
Start of MODEL 9
1 1H GLY 1 1H GLY 1 9.771 1.320 -10.923
2 2H GLY 1 2H GLY 1 10.832 1.174 -9.613
3 3H GLY 1 3H GLY 1 11.365 1.882 -11.060
4 1HA GLY 1 1HA GLY 1 10.952 3.799 -10.012
5 2HA GLY 1 2HA GLY 1 9.306 3.461 -10.530
6 H SER 2 H SER 2 8.573 1.435 -8.837
7 HA SER 2 HA SER 2 7.969 2.870 -6.466
8 1HB SER 2 1HB SER 2 7.557 -0.040 -6.392
9 2HB SER 2 2HB SER 2 6.395 1.271 -6.178
10 HG SER 2 HG SER 2 6.053 1.357 -8.322
11 H THR 3 H THR 3 8.230 1.791 -4.288
12 HA THR 3 HA THR 3 9.489 0.930 -2.588
13 HB THR 3 HB THR 3 11.659 0.182 -4.549
14 HG1 THR 3 HG1 THR 3 9.274 -1.163 -3.795
15 1HG2 THR 3 1HG2 THR 3 12.681 -0.850 -2.823
16 2HG2 THR 3 2HG2 THR 3 11.158 -1.405 -2.129
17 3HG2 THR 3 3HG2 THR 3 11.715 0.240 -1.832
18 H ARG 4 H ARG 4 9.791 2.839 -1.623
19 HA ARG 4 HA ARG 4 11.747 4.725 -2.620
20 1HB ARG 4 1HB ARG 4 10.596 5.196 0.048
21 2HB ARG 4 2HB ARG 4 10.702 6.272 -1.336
22 1HG ARG 4 1HG ARG 4 8.841 4.416 -2.140
23 2HG ARG 4 2HG ARG 4 8.495 4.615 -0.421
24 1HD ARG 4 1HD ARG 4 7.198 6.179 -1.762
25 2HD ARG 4 2HD ARG 4 8.346 7.033 -0.730
26 HE ARG 4 HE ARG 4 9.443 6.537 -3.314
27 1HH1 ARG 4 1HH1 ARG 4 7.145 8.594 -1.642
28 2HH1 ARG 4 2HH1 ARG 4 7.397 9.951 -2.704
29 1HH2 ARG 4 1HH2 ARG 4 9.773 8.303 -4.709
30 2HH2 ARG 4 2HH2 ARG 4 8.894 9.779 -4.454
31 H GLY 5 H GLY 5 11.207 3.057 0.496
32 1HA GLY 5 1HA GLY 5 13.615 1.863 0.810
33 2HA GLY 5 2HA GLY 5 13.954 3.522 1.282
34 H SER 6 H SER 6 10.926 1.853 1.811
35 HA SER 6 HA SER 6 11.334 2.050 4.703
36 1HB SER 6 1HB SER 6 8.774 1.160 3.404
37 2HB SER 6 2HB SER 6 9.007 2.009 4.933
38 HG SER 6 HG SER 6 9.180 3.022 2.285
39 H THR 7 H THR 7 9.136 -0.268 4.361
40 HA THR 7 HA THR 7 11.107 -2.401 3.997
41 HB THR 7 HB THR 7 9.266 -3.619 5.564
42 HG1 THR 7 HG1 THR 7 8.249 -2.220 6.809
43 1HG2 THR 7 1HG2 THR 7 10.914 -2.804 7.469
44 2HG2 THR 7 2HG2 THR 7 11.822 -2.191 6.084
45 3HG2 THR 7 3HG2 THR 7 11.448 -3.913 6.204
46 H GLY 8 H GLY 8 10.408 -2.229 1.753
47 1HA GLY 8 1HA GLY 8 7.719 -2.904 1.020
48 2HA GLY 8 2HA GLY 8 9.091 -2.748 -0.067
49 H ILE 9 H ILE 9 8.249 -4.842 2.633
50 HA ILE 9 HA ILE 9 9.369 -7.180 1.369
51 HB ILE 9 HB ILE 9 7.622 -7.324 3.785
52 1HG1 ILE 9 1HG1 ILE 9 10.477 -6.659 4.246
53 2HG1 ILE 9 2HG1 ILE 9 9.423 -5.336 3.755
54 1HG2 ILE 9 1HG2 ILE 9 9.406 -8.946 4.484
55 2HG2 ILE 9 2HG2 ILE 9 8.531 -9.393 3.017
56 3HG2 ILE 9 3HG2 ILE 9 10.149 -8.703 2.902
57 1HD1 ILE 9 1HD1 ILE 9 9.768 -5.791 6.255
58 2HD1 ILE 9 2HD1 ILE 9 8.132 -5.493 5.668
59 3HD1 ILE 9 3HD1 ILE 9 8.658 -7.140 6.010
60 H LYS 10 H LYS 10 7.946 -9.216 1.349
61 HA LYS 10 HA LYS 10 6.143 -10.390 0.648
62 1HB LYS 10 1HB LYS 10 4.866 -7.980 1.816
63 2HB LYS 10 2HB LYS 10 3.873 -8.977 0.760
64 1HG LYS 10 1HG LYS 10 3.593 -10.500 2.343
65 2HG LYS 10 2HG LYS 10 5.330 -10.605 2.633
66 1HD LYS 10 1HD LYS 10 3.942 -8.206 3.670
67 2HD LYS 10 2HD LYS 10 3.592 -9.740 4.474
68 1HE LYS 10 1HE LYS 10 6.434 -9.198 3.926
69 2HE LYS 10 2HE LYS 10 5.672 -8.133 5.106
70 1HZ LYS 10 1HZ LYS 10 5.920 -11.084 5.217
71 2HZ LYS 10 2HZ LYS 10 4.886 -10.209 6.241
72 3HZ LYS 10 3HZ LYS 10 6.560 -9.939 6.294
73 HA PRO 11 HA PRO 11 5.913 -9.620 -3.645
74 1HB PRO 11 1HB PRO 11 3.516 -10.844 -4.240
75 2HB PRO 11 2HB PRO 11 5.047 -11.699 -4.015
76 1HG PRO 11 1HG PRO 11 2.823 -11.250 -2.061
77 2HG PRO 11 2HG PRO 11 3.755 -12.726 -2.369
78 1HD PRO 11 1HD PRO 11 4.300 -11.201 -0.258
79 2HD PRO 11 2HD PRO 11 5.616 -11.940 -1.199
80 H PHE 12 H PHE 12 3.352 -8.577 -1.558
81 HA PHE 12 HA PHE 12 2.393 -6.740 -3.639
82 1HB PHE 12 1HB PHE 12 0.863 -7.841 -1.274
83 2HB PHE 12 2HB PHE 12 0.225 -6.744 -2.499
84 HD1 PHE 12 HD1 PHE 12 0.079 -9.973 -1.482
85 HD2 PHE 12 HD2 PHE 12 0.848 -7.736 -5.019
86 HE1 PHE 12 HE1 PHE 12 -0.603 -11.903 -2.846
87 HE2 PHE 12 HE2 PHE 12 0.165 -9.663 -6.391
88 HZ PHE 12 HZ PHE 12 -0.561 -11.749 -5.305
89 H GLN 13 H GLN 13 3.977 -5.207 -3.060
90 HA GLN 13 HA GLN 13 3.594 -3.919 -0.455
91 1HB GLN 13 1HB GLN 13 5.753 -3.192 -0.563
92 2HB GLN 13 2HB GLN 13 5.915 -4.576 -1.635
93 1HG GLN 13 1HG GLN 13 5.569 -3.086 -3.565
94 2HG GLN 13 2HG GLN 13 5.494 -1.716 -2.461
95 1HE2 GLN 13 1HE2 GLN 13 7.634 -4.530 -2.466
96 2HE2 GLN 13 2HE2 GLN 13 9.104 -3.624 -2.603
97 H CYS 14 H CYS 14 3.344 -1.552 -0.451
98 HA CYS 14 HA CYS 14 1.530 -0.647 -2.463
99 1HB CYS 14 1HB CYS 14 1.307 0.254 -0.215
100 2HB CYS 14 2HB CYS 14 2.949 0.901 -0.280
101 HA PRO 15 HA PRO 15 4.719 0.651 -5.289
102 1HB PRO 15 1HB PRO 15 3.113 1.859 -7.097
103 2HB PRO 15 2HB PRO 15 3.235 0.102 -6.957
104 1HG PRO 15 1HG PRO 15 1.133 1.950 -5.903
105 2HG PRO 15 2HG PRO 15 0.949 0.360 -6.666
106 1HD PRO 15 1HD PRO 15 0.851 0.754 -3.968
107 2HD PRO 15 2HD PRO 15 1.386 -0.766 -4.713
108 H ASP 16 H ASP 16 2.803 2.600 -3.313
109 HA ASP 16 HA ASP 16 4.068 5.073 -4.301
110 1HB ASP 16 1HB ASP 16 1.419 4.550 -3.632
111 2HB ASP 16 2HB ASP 16 2.040 5.418 -2.233
112 H CYS 17 H CYS 17 3.649 3.010 -1.517
113 HA CYS 17 HA CYS 17 5.276 4.844 0.089
114 1HB CYS 17 1HB CYS 17 3.463 2.605 0.984
115 2HB CYS 17 2HB CYS 17 4.331 3.709 2.042
116 H ASP 18 H ASP 18 5.105 1.567 -1.047
117 HA ASP 18 HA ASP 18 6.472 -0.205 -0.998
118 1HB ASP 18 1HB ASP 18 8.706 0.033 -1.174
119 2HB ASP 18 2HB ASP 18 8.264 1.707 -1.398
120 H ARG 19 H ARG 19 4.658 -0.108 0.660
121 HA ARG 19 HA ARG 19 5.581 -0.763 3.341
122 1HB ARG 19 1HB ARG 19 2.949 -0.320 2.029
123 2HB ARG 19 2HB ARG 19 2.981 -1.442 3.381
124 1HG ARG 19 1HG ARG 19 3.262 0.182 4.890
125 2HG ARG 19 2HG ARG 19 4.396 1.064 3.871
126 1HD ARG 19 1HD ARG 19 2.565 2.496 4.027
127 2HD ARG 19 2HD ARG 19 2.349 1.701 2.469
128 HE ARG 19 HE ARG 19 0.380 0.877 3.248
129 1HH1 ARG 19 1HH1 ARG 19 2.364 1.741 6.004
130 2HH1 ARG 19 2HH1 ARG 19 1.199 1.206 7.174
131 1HH2 ARG 19 1HH2 ARG 19 -1.163 0.166 4.811
132 2HH2 ARG 19 2HH2 ARG 19 -0.795 0.304 6.502
133 H SER 20 H SER 20 3.598 -2.953 3.683
134 HA SER 20 HA SER 20 4.399 -4.925 1.726
135 1HB SER 20 1HB SER 20 5.029 -6.302 4.030
136 2HB SER 20 2HB SER 20 6.181 -5.652 2.865
137 HG SER 20 HG SER 20 6.620 -3.996 4.167
138 H PHE 21 H PHE 21 2.776 -6.189 1.323
139 HA PHE 21 HA PHE 21 0.972 -6.992 3.483
140 1HB PHE 21 1HB PHE 21 -0.054 -6.157 0.765
141 2HB PHE 21 2HB PHE 21 -0.996 -6.521 2.206
142 HD1 PHE 21 HD1 PHE 21 1.281 -4.074 0.655
143 HD2 PHE 21 HD2 PHE 21 -1.420 -4.872 3.847
144 HE1 PHE 21 HE1 PHE 21 1.306 -1.695 1.265
145 HE2 PHE 21 HE2 PHE 21 -1.393 -2.492 4.469
146 HZ PHE 21 HZ PHE 21 -0.017 -0.907 3.184
147 H SER 22 H SER 22 0.507 -9.119 3.427
148 HA SER 22 HA SER 22 1.807 -10.769 1.477
149 1HB SER 22 1HB SER 22 0.180 -12.471 2.854
150 2HB SER 22 2HB SER 22 1.769 -11.956 3.420
151 HG SER 22 HG SER 22 0.781 -11.074 5.046
152 H ARG 23 H ARG 23 -1.297 -9.353 1.860
153 HA ARG 23 HA ARG 23 -2.350 -10.938 -0.396
154 1HB ARG 23 1HB ARG 23 -4.202 -9.383 1.329
155 2HB ARG 23 2HB ARG 23 -4.453 -10.911 0.502
156 1HG ARG 23 1HG ARG 23 -3.418 -12.136 2.193
157 2HG ARG 23 2HG ARG 23 -2.646 -10.700 2.881
158 1HD ARG 23 1HD ARG 23 -4.487 -11.362 4.287
159 2HD ARG 23 2HD ARG 23 -4.881 -9.842 3.487
160 HE ARG 23 HE ARG 23 -6.502 -10.927 2.224
161 1HH1 ARG 23 1HH1 ARG 23 -4.736 -13.162 4.250
162 2HH1 ARG 23 2HH1 ARG 23 -5.843 -14.477 4.009
163 1HH2 ARG 23 1HH2 ARG 23 -8.019 -12.642 1.945
164 2HH2 ARG 23 2HH2 ARG 23 -7.732 -14.172 2.732
165 H SER 24 H SER 24 -3.081 -9.918 -2.137
166 HA SER 24 HA SER 24 -2.434 -7.184 -2.605
167 1HB SER 24 1HB SER 24 -3.170 -9.422 -4.150
168 2HB SER 24 2HB SER 24 -4.419 -8.215 -4.429
169 HG SER 24 HG SER 24 -2.514 -8.121 -5.839
170 H ASP 25 H ASP 25 -5.177 -8.900 -1.381
171 HA ASP 25 HA ASP 25 -7.150 -6.917 -1.733
172 1HB ASP 25 1HB ASP 25 -8.334 -8.685 -1.066
173 2HB ASP 25 2HB ASP 25 -6.884 -9.505 -0.541
174 H HIS 26 H HIS 26 -4.806 -7.589 0.812
175 HA HIS 26 HA HIS 26 -5.772 -5.549 2.573
176 1HB HIS 26 1HB HIS 26 -3.577 -7.500 2.570
177 2HB HIS 26 2HB HIS 26 -3.189 -5.975 3.364
178 HD1 HIS 26 HD1 HIS 26 -3.332 -6.614 5.783
179 HD2 HIS 26 HD2 HIS 26 -6.643 -7.845 3.590
180 HE1 HIS 26 HE1 HIS 26 -4.994 -7.450 7.478
181 HE2 HIS 26 HE2 HIS 26 -7.068 -7.974 6.141
182 H LEU 27 H LEU 27 -3.429 -5.756 0.011
183 HA LEU 27 HA LEU 27 -2.057 -3.328 0.316
184 1HB LEU 27 1HB LEU 27 -1.654 -5.180 -1.384
185 2HB LEU 27 2HB LEU 27 -2.990 -4.512 -2.298
186 HG LEU 27 HG LEU 27 -1.762 -2.822 -3.120
187 1HD1 LEU 27 1HD1 LEU 27 -0.019 -2.672 -0.675
188 2HD1 LEU 27 2HD1 LEU 27 -0.218 -1.464 -1.946
189 3HD1 LEU 27 3HD1 LEU 27 -1.546 -1.804 -0.837
190 1HD2 LEU 27 1HD2 LEU 27 0.403 -4.678 -2.165
191 2HD2 LEU 27 2HD2 LEU 27 -0.433 -4.712 -3.718
192 3HD2 LEU 27 3HD2 LEU 27 0.649 -3.375 -3.328
193 H ALA 28 H ALA 28 -4.900 -4.068 -1.669
194 HA ALA 28 HA ALA 28 -5.523 -1.516 -2.493
195 1HB ALA 28 1HB ALA 28 -7.980 -2.613 -2.399
196 2HB ALA 28 2HB ALA 28 -6.788 -2.976 -3.647
197 3HB ALA 28 3HB ALA 28 -6.984 -4.063 -2.269
198 H LEU 29 H LEU 29 -6.455 -3.128 0.519
199 HA LEU 29 HA LEU 29 -8.358 -1.308 1.424
200 1HB LEU 29 1HB LEU 29 -6.431 -3.080 2.883
201 2HB LEU 29 2HB LEU 29 -7.567 -2.051 3.734
202 HG LEU 29 HG LEU 29 -8.533 -3.995 1.668
203 1HD1 LEU 29 1HD1 LEU 29 -7.413 -5.506 3.001
204 2HD1 LEU 29 2HD1 LEU 29 -7.652 -4.554 4.467
205 3HD1 LEU 29 3HD1 LEU 29 -9.002 -5.447 3.765
206 1HD2 LEU 29 1HD2 LEU 29 -9.713 -2.488 3.973
207 2HD2 LEU 29 2HD2 LEU 29 -10.243 -2.547 2.290
208 3HD2 LEU 29 3HD2 LEU 29 -10.492 -3.940 3.345
209 H HIS 30 H HIS 30 -4.843 -1.247 1.745
210 HA HIS 30 HA HIS 30 -4.821 1.219 3.232
211 1HB HIS 30 1HB HIS 30 -2.887 0.028 3.688
212 2HB HIS 30 2HB HIS 30 -2.734 -0.572 2.040
213 HD1 HIS 30 HD1 HIS 30 -2.179 2.633 4.024
214 HD2 HIS 30 HD2 HIS 30 -0.996 0.800 0.475
215 HE1 HIS 30 HE1 HIS 30 -0.435 4.144 2.980
216 H ARG 31 H ARG 31 -4.420 0.218 -0.121
217 HA ARG 31 HA ARG 31 -3.492 2.716 -1.040
218 1HB ARG 31 1HB ARG 31 -4.612 0.308 -2.445
219 2HB ARG 31 2HB ARG 31 -4.118 1.753 -3.319
220 1HG ARG 31 1HG ARG 31 -1.897 1.433 -1.964
221 2HG ARG 31 2HG ARG 31 -2.461 -0.234 -1.848
222 1HD ARG 31 1HD ARG 31 -1.072 -0.124 -3.758
223 2HD ARG 31 2HD ARG 31 -2.733 -0.194 -4.352
224 HE ARG 31 HE ARG 31 -1.034 2.214 -4.301
225 1HH1 ARG 31 1HH1 ARG 31 -3.813 0.460 -5.508
226 2HH1 ARG 31 2HH1 ARG 31 -4.115 1.585 -6.801
227 1HH2 ARG 31 1HH2 ARG 31 -1.439 3.698 -5.992
228 2HH2 ARG 31 2HH2 ARG 31 -2.775 3.420 -7.076
229 H LYS 32 H LYS 32 -6.474 1.993 0.097
230 HA LYS 32 HA LYS 32 -8.222 3.293 -1.704
231 1HB LYS 32 1HB LYS 32 -8.324 2.269 1.009
232 2HB LYS 32 2HB LYS 32 -9.193 3.791 0.871
233 1HG LYS 32 1HG LYS 32 -10.572 1.735 0.514
234 2HG LYS 32 2HG LYS 32 -10.636 2.914 -0.797
235 1HD LYS 32 1HD LYS 32 -9.738 1.483 -2.267
236 2HD LYS 32 2HD LYS 32 -8.506 0.946 -1.119
237 1HE LYS 32 1HE LYS 32 -9.614 -0.970 -0.932
238 2HE LYS 32 2HE LYS 32 -10.925 -0.078 -0.162
239 1HZ LYS 32 1HZ LYS 32 -11.564 0.407 -2.635
240 2HZ LYS 32 2HZ LYS 32 -12.028 -1.041 -1.884
241 3HZ LYS 32 3HZ LYS 32 -10.688 -1.018 -2.929
242 H ARG 33 H ARG 33 -5.989 4.409 0.723
243 HA ARG 33 HA ARG 33 -6.908 7.099 0.821
244 1HB ARG 33 1HB ARG 33 -4.748 5.528 1.971
245 2HB ARG 33 2HB ARG 33 -4.221 7.144 1.521
246 1HG ARG 33 1HG ARG 33 -6.421 6.381 3.417
247 2HG ARG 33 2HG ARG 33 -4.919 7.231 3.780
248 1HD ARG 33 1HD ARG 33 -6.081 9.117 3.561
249 2HD ARG 33 2HD ARG 33 -6.093 8.788 1.828
250 HE ARG 33 HE ARG 33 -8.214 7.421 3.138
251 1HH1 ARG 33 1HH1 ARG 33 -7.232 10.530 1.876
252 2HH1 ARG 33 2HH1 ARG 33 -8.847 11.165 1.816
253 1HH2 ARG 33 1HH2 ARG 33 -10.349 8.238 3.058
254 2HH2 ARG 33 2HH2 ARG 33 -10.635 9.847 2.453
255 H HIS 34 H HIS 34 -5.113 5.313 -1.425
256 HA HIS 34 HA HIS 34 -3.925 7.711 -2.626
257 1HB HIS 34 1HB HIS 34 -3.636 4.796 -3.403
258 2HB HIS 34 2HB HIS 34 -2.782 6.140 -4.150
259 HD1 HIS 34 HD1 HIS 34 -1.277 7.569 -2.210
260 HD2 HIS 34 HD2 HIS 34 -2.159 3.559 -1.558
261 HE1 HIS 34 HE1 HIS 34 0.359 6.747 -0.464
262 H MET 35 H MET 35 -6.781 6.126 -2.626
263 HA MET 35 HA MET 35 -7.312 6.656 -5.475
264 1HB MET 35 1HB MET 35 -8.676 4.837 -3.492
265 2HB MET 35 2HB MET 35 -9.367 5.223 -5.062
266 1HG MET 35 1HG MET 35 -6.873 4.440 -5.772
267 2HG MET 35 2HG MET 35 -7.161 3.430 -4.356
268 1HE MET 35 1HE MET 35 -8.547 4.219 -8.114
269 2HE MET 35 2HE MET 35 -6.997 3.452 -7.766
270 3HE MET 35 3HE MET 35 -8.308 2.507 -8.469
271 H LEU 36 H LEU 36 -8.065 7.542 -2.247
272 HA LEU 36 HA LEU 36 -10.147 9.382 -3.211
273 1HB LEU 36 1HB LEU 36 -9.600 8.591 -0.347
274 2HB LEU 36 2HB LEU 36 -10.954 9.532 -0.941
275 HG LEU 36 HG LEU 36 -10.511 6.663 -1.742
276 1HD1 LEU 36 1HD1 LEU 36 -10.709 6.653 0.647
277 2HD1 LEU 36 2HD1 LEU 36 -12.085 7.757 0.584
278 3HD1 LEU 36 3HD1 LEU 36 -12.239 6.115 -0.046
279 1HD2 LEU 36 1HD2 LEU 36 -12.006 8.199 -3.091
280 2HD2 LEU 36 2HD2 LEU 36 -12.747 6.718 -2.489
281 3HD2 LEU 36 3HD2 LEU 36 -13.062 8.253 -1.679
282 H VAL 37 H VAL 37 -7.764 10.110 -3.931
283 HA VAL 37 HA VAL 37 -6.411 11.613 -1.878
284 HB VAL 37 HB VAL 37 -5.092 12.393 -4.072
285 1HG1 VAL 37 1HG1 VAL 37 -4.098 9.807 -3.603
286 2HG1 VAL 37 2HG1 VAL 37 -3.548 11.328 -2.901
287 3HG1 VAL 37 3HG1 VAL 37 -4.781 10.372 -2.076
288 1HG2 VAL 37 1HG2 VAL 37 -5.945 9.629 -4.879
289 2HG2 VAL 37 2HG2 VAL 37 -6.776 11.069 -5.474
290 3HG2 VAL 37 3HG2 VAL 37 -5.062 10.834 -5.817
Start of MODEL 10
1 1H GLY 1 1H GLY 1 7.139 8.968 -2.511
2 2H GLY 1 2H GLY 1 5.762 7.998 -2.377
3 3H GLY 1 3H GLY 1 7.190 7.352 -3.016
4 1HA GLY 1 1HA GLY 1 7.695 8.427 -0.458
5 2HA GLY 1 2HA GLY 1 6.340 7.306 -0.384
6 H SER 2 H SER 2 9.326 7.297 0.386
7 HA SER 2 HA SER 2 10.110 4.853 -1.044
8 1HB SER 2 1HB SER 2 12.014 6.198 0.789
9 2HB SER 2 2HB SER 2 12.281 5.518 -0.818
10 HG SER 2 HG SER 2 10.707 7.521 -1.253
11 H THR 3 H THR 3 11.621 3.469 0.462
12 HA THR 3 HA THR 3 10.245 1.928 2.152
13 HB THR 3 HB THR 3 13.125 2.668 2.661
14 HG1 THR 3 HG1 THR 3 13.022 2.152 0.510
15 1HG2 THR 3 1HG2 THR 3 11.509 0.931 4.040
16 2HG2 THR 3 2HG2 THR 3 13.269 0.842 3.962
17 3HG2 THR 3 3HG2 THR 3 12.287 -0.129 2.865
18 H ARG 4 H ARG 4 9.601 1.821 4.220
19 HA ARG 4 HA ARG 4 10.380 3.909 6.112
20 1HB ARG 4 1HB ARG 4 7.869 4.022 6.751
21 2HB ARG 4 2HB ARG 4 8.428 4.940 5.360
22 1HG ARG 4 1HG ARG 4 7.714 2.846 4.007
23 2HG ARG 4 2HG ARG 4 6.761 2.463 5.443
24 1HD ARG 4 1HD ARG 4 5.420 3.695 3.833
25 2HD ARG 4 2HD ARG 4 5.670 4.656 5.291
26 HE ARG 4 HE ARG 4 7.628 5.208 3.283
27 1HH1 ARG 4 1HH1 ARG 4 4.341 5.903 4.261
28 2HH1 ARG 4 2HH1 ARG 4 4.295 7.449 3.467
29 1HH2 ARG 4 1HH2 ARG 4 7.586 7.241 2.257
30 2HH2 ARG 4 2HH2 ARG 4 6.144 8.207 2.309
31 H GLY 5 H GLY 5 11.259 1.325 6.105
32 1HA GLY 5 1HA GLY 5 11.443 0.249 8.358
33 2HA GLY 5 2HA GLY 5 9.698 0.074 8.278
34 H SER 6 H SER 6 9.916 -0.572 5.345
35 HA SER 6 HA SER 6 11.008 -3.296 5.596
36 1HB SER 6 1HB SER 6 8.528 -2.974 4.016
37 2HB SER 6 2HB SER 6 9.012 -4.270 5.110
38 HG SER 6 HG SER 6 8.422 -2.991 6.859
39 H THR 7 H THR 7 12.453 -3.675 4.054
40 HA THR 7 HA THR 7 12.662 -1.907 1.802
41 HB THR 7 HB THR 7 14.584 -3.737 1.346
42 HG1 THR 7 HG1 THR 7 15.267 -4.145 3.710
43 1HG2 THR 7 1HG2 THR 7 14.374 -1.203 2.699
44 2HG2 THR 7 2HG2 THR 7 15.697 -1.840 1.723
45 3HG2 THR 7 3HG2 THR 7 15.624 -2.197 3.449
46 H GLY 8 H GLY 8 10.562 -2.585 0.865
47 1HA GLY 8 1HA GLY 8 9.381 -3.605 -0.803
48 2HA GLY 8 2HA GLY 8 10.946 -4.048 -1.462
49 H ILE 9 H ILE 9 9.470 -5.041 1.546
50 HA ILE 9 HA ILE 9 9.943 -7.837 0.933
51 HB ILE 9 HB ILE 9 8.401 -6.855 3.317
52 1HG1 ILE 9 1HG1 ILE 9 11.418 -6.983 3.154
53 2HG1 ILE 9 2HG1 ILE 9 10.498 -5.488 3.030
54 1HG2 ILE 9 1HG2 ILE 9 8.515 -9.002 3.881
55 2HG2 ILE 9 2HG2 ILE 9 9.480 -9.353 2.448
56 3HG2 ILE 9 3HG2 ILE 9 10.273 -8.872 3.947
57 1HD1 ILE 9 1HD1 ILE 9 11.382 -6.871 5.354
58 2HD1 ILE 9 2HD1 ILE 9 10.572 -5.310 5.229
59 3HD1 ILE 9 3HD1 ILE 9 9.620 -6.789 5.365
60 H LYS 10 H LYS 10 8.150 -9.432 1.180
61 HA LYS 10 HA LYS 10 6.131 -10.313 0.671
62 1HB LYS 10 1HB LYS 10 5.379 -7.577 1.564
63 2HB LYS 10 2HB LYS 10 4.159 -8.532 0.729
64 1HG LYS 10 1HG LYS 10 3.847 -9.883 2.479
65 2HG LYS 10 2HG LYS 10 5.574 -10.003 2.818
66 1HD LYS 10 1HD LYS 10 4.382 -7.385 3.395
67 2HD LYS 10 2HD LYS 10 3.772 -8.708 4.387
68 1HE LYS 10 1HE LYS 10 6.628 -8.885 4.153
69 2HE LYS 10 2HE LYS 10 6.166 -7.276 4.704
70 1HZ LYS 10 1HZ LYS 10 4.614 -9.087 6.119
71 2HZ LYS 10 2HZ LYS 10 5.878 -8.127 6.711
72 3HZ LYS 10 3HZ LYS 10 6.192 -9.697 6.147
73 HA PRO 11 HA PRO 11 5.780 -9.746 -3.658
74 1HB PRO 11 1HB PRO 11 3.563 -11.206 -4.180
75 2HB PRO 11 2HB PRO 11 5.094 -11.947 -3.697
76 1HG PRO 11 1HG PRO 11 2.686 -11.313 -2.028
77 2HG PRO 11 2HG PRO 11 3.666 -12.793 -2.055
78 1HD PRO 11 1HD PRO 11 3.978 -10.894 -0.159
79 2HD PRO 11 2HD PRO 11 5.338 -11.860 -0.764
80 H PHE 12 H PHE 12 3.380 -8.554 -1.538
81 HA PHE 12 HA PHE 12 2.197 -6.970 -3.715
82 1HB PHE 12 1HB PHE 12 0.765 -7.934 -1.229
83 2HB PHE 12 2HB PHE 12 0.063 -6.992 -2.540
84 HD1 PHE 12 HD1 PHE 12 0.538 -8.172 -4.951
85 HD2 PHE 12 HD2 PHE 12 0.190 -10.137 -1.195
86 HE1 PHE 12 HE1 PHE 12 -0.103 -10.250 -6.101
87 HE2 PHE 12 HE2 PHE 12 -0.452 -12.217 -2.336
88 HZ PHE 12 HZ PHE 12 -0.596 -12.279 -4.793
89 H GLN 13 H GLN 13 3.598 -5.247 -3.340
90 HA GLN 13 HA GLN 13 3.351 -3.986 -0.695
91 1HB GLN 13 1HB GLN 13 5.583 -4.355 -2.522
92 2HB GLN 13 2HB GLN 13 5.391 -2.677 -2.024
93 1HG GLN 13 1HG GLN 13 5.122 -3.836 0.340
94 2HG GLN 13 2HG GLN 13 6.099 -5.053 -0.446
95 1HE2 GLN 13 1HE2 GLN 13 7.263 -2.663 -2.065
96 2HE2 GLN 13 2HE2 GLN 13 8.448 -2.008 -0.983
97 H CYS 14 H CYS 14 3.405 -1.637 -0.653
98 HA CYS 14 HA CYS 14 1.591 -0.504 -2.596
99 1HB CYS 14 1HB CYS 14 1.408 0.276 -0.284
100 2HB CYS 14 2HB CYS 14 3.074 0.856 -0.336
101 HA PRO 15 HA PRO 15 5.010 0.684 -5.228
102 1HB PRO 15 1HB PRO 15 3.514 1.897 -7.128
103 2HB PRO 15 2HB PRO 15 3.641 0.139 -6.996
104 1HG PRO 15 1HG PRO 15 1.458 1.961 -6.062
105 2HG PRO 15 2HG PRO 15 1.337 0.377 -6.851
106 1HD PRO 15 1HD PRO 15 1.055 0.742 -4.167
107 2HD PRO 15 2HD PRO 15 1.662 -0.762 -4.889
108 H ASP 16 H ASP 16 3.020 2.584 -3.309
109 HA ASP 16 HA ASP 16 4.287 5.072 -4.251
110 1HB ASP 16 1HB ASP 16 1.748 4.890 -4.219
111 2HB ASP 16 2HB ASP 16 1.868 4.895 -2.462
112 H CYS 17 H CYS 17 3.767 3.056 -1.415
113 HA CYS 17 HA CYS 17 5.316 4.992 0.153
114 1HB CYS 17 1HB CYS 17 3.528 2.783 1.161
115 2HB CYS 17 2HB CYS 17 4.337 3.995 2.144
116 H ASP 18 H ASP 18 5.191 1.660 -0.818
117 HA ASP 18 HA ASP 18 6.757 -0.038 -0.697
118 1HB ASP 18 1HB ASP 18 8.400 2.118 0.266
119 2HB ASP 18 2HB ASP 18 8.619 0.696 1.284
120 H ARG 19 H ARG 19 4.414 0.483 0.726
121 HA ARG 19 HA ARG 19 4.751 -0.670 3.380
122 1HB ARG 19 1HB ARG 19 2.285 -0.024 1.747
123 2HB ARG 19 2HB ARG 19 2.259 -0.664 3.384
124 1HG ARG 19 1HG ARG 19 3.880 1.563 3.573
125 2HG ARG 19 2HG ARG 19 2.601 2.047 2.454
126 1HD ARG 19 1HD ARG 19 2.418 1.210 5.303
127 2HD ARG 19 2HD ARG 19 1.654 2.568 4.483
128 HE ARG 19 HE ARG 19 0.363 0.606 3.317
129 1HH1 ARG 19 1HH1 ARG 19 1.332 0.891 6.678
130 2HH1 ARG 19 2HH1 ARG 19 0.016 -0.081 7.278
131 1HH2 ARG 19 1HH2 ARG 19 -1.426 -0.619 4.146
132 2HH2 ARG 19 2HH2 ARG 19 -1.568 -0.902 5.852
133 H SER 20 H SER 20 4.216 -2.844 3.817
134 HA SER 20 HA SER 20 4.046 -4.450 1.352
135 1HB SER 20 1HB SER 20 5.183 -5.838 3.636
136 2HB SER 20 2HB SER 20 5.812 -5.652 1.999
137 HG SER 20 HG SER 20 6.680 -3.672 2.557
138 H PHE 21 H PHE 21 2.710 -6.103 1.154
139 HA PHE 21 HA PHE 21 1.087 -6.932 3.461
140 1HB PHE 21 1HB PHE 21 -0.127 -6.447 0.741
141 2HB PHE 21 2HB PHE 21 -0.956 -6.683 2.276
142 HD1 PHE 21 HD1 PHE 21 0.921 -4.310 0.204
143 HD2 PHE 21 HD2 PHE 21 -1.237 -4.887 3.821
144 HE1 PHE 21 HE1 PHE 21 0.861 -1.877 0.551
145 HE2 PHE 21 HE2 PHE 21 -1.306 -2.460 4.173
146 HZ PHE 21 HZ PHE 21 -0.250 -0.951 2.544
147 H SER 22 H SER 22 0.512 -9.071 3.476
148 HA SER 22 HA SER 22 1.829 -10.790 1.544
149 1HB SER 22 1HB SER 22 0.183 -12.258 3.363
150 2HB SER 22 2HB SER 22 1.945 -12.159 3.314
151 HG SER 22 HG SER 22 1.935 -10.630 4.830
152 H ARG 23 H ARG 23 -1.256 -9.444 2.149
153 HA ARG 23 HA ARG 23 -2.506 -11.233 0.160
154 1HB ARG 23 1HB ARG 23 -3.984 -9.455 2.096
155 2HB ARG 23 2HB ARG 23 -4.631 -10.776 1.134
156 1HG ARG 23 1HG ARG 23 -2.803 -12.108 2.590
157 2HG ARG 23 2HG ARG 23 -3.228 -10.820 3.720
158 1HD ARG 23 1HD ARG 23 -5.097 -12.785 2.410
159 2HD ARG 23 2HD ARG 23 -4.646 -12.721 4.114
160 HE ARG 23 HE ARG 23 -6.508 -10.977 2.715
161 1HH1 ARG 23 1HH1 ARG 23 -4.662 -11.557 5.645
162 2HH1 ARG 23 2HH1 ARG 23 -5.748 -10.638 6.651
163 1HH2 ARG 23 1HH2 ARG 23 -7.934 -9.798 4.036
164 2HH2 ARG 23 2HH2 ARG 23 -7.602 -9.635 5.740
165 H SER 24 H SER 24 -3.140 -10.491 -1.639
166 HA SER 24 HA SER 24 -2.387 -7.986 -2.601
167 1HB SER 24 1HB SER 24 -4.420 -9.011 -4.241
168 2HB SER 24 2HB SER 24 -2.681 -9.259 -4.410
169 HG SER 24 HG SER 24 -4.413 -11.117 -3.975
170 H ASP 25 H ASP 25 -5.261 -9.084 -1.002
171 HA ASP 25 HA ASP 25 -6.955 -6.919 -1.791
172 1HB ASP 25 1HB ASP 25 -7.831 -9.080 -0.980
173 2HB ASP 25 2HB ASP 25 -7.150 -8.747 0.609
174 H HIS 26 H HIS 26 -4.796 -7.581 0.883
175 HA HIS 26 HA HIS 26 -5.489 -5.402 2.532
176 1HB HIS 26 1HB HIS 26 -3.357 -7.391 2.427
177 2HB HIS 26 2HB HIS 26 -2.792 -5.827 3.009
178 HD1 HIS 26 HD1 HIS 26 -2.728 -5.962 5.497
179 HD2 HIS 26 HD2 HIS 26 -6.120 -7.776 3.904
180 HE1 HIS 26 HE1 HIS 26 -4.124 -6.659 7.472
181 HE2 HIS 26 HE2 HIS 26 -6.242 -7.605 6.482
182 H LEU 27 H LEU 27 -3.430 -5.697 -0.260
183 HA LEU 27 HA LEU 27 -2.005 -3.285 -0.147
184 1HB LEU 27 1HB LEU 27 -1.828 -5.199 -1.845
185 2HB LEU 27 2HB LEU 27 -3.185 -4.452 -2.660
186 HG LEU 27 HG LEU 27 -1.924 -2.825 -3.563
187 1HD1 LEU 27 1HD1 LEU 27 -0.343 -1.500 -2.500
188 2HD1 LEU 27 2HD1 LEU 27 -1.466 -1.937 -1.212
189 3HD1 LEU 27 3HD1 LEU 27 0.085 -2.767 -1.348
190 1HD2 LEU 27 1HD2 LEU 27 0.293 -4.701 -2.777
191 2HD2 LEU 27 2HD2 LEU 27 -0.771 -4.883 -4.173
192 3HD2 LEU 27 3HD2 LEU 27 0.339 -3.514 -4.084
193 H ALA 28 H ALA 28 -4.972 -3.965 -1.967
194 HA ALA 28 HA ALA 28 -5.587 -1.379 -2.686
195 1HB ALA 28 1HB ALA 28 -7.498 -3.650 -2.176
196 2HB ALA 28 2HB ALA 28 -7.855 -2.190 -3.100
197 3HB ALA 28 3HB ALA 28 -6.638 -3.327 -3.681
198 H LEU 29 H LEU 29 -6.471 -3.128 0.255
199 HA LEU 29 HA LEU 29 -8.303 -1.349 1.342
200 1HB LEU 29 1HB LEU 29 -6.266 -3.112 2.677
201 2HB LEU 29 2HB LEU 29 -7.471 -2.201 3.563
202 HG LEU 29 HG LEU 29 -8.110 -4.286 1.481
203 1HD1 LEU 29 1HD1 LEU 29 -7.187 -4.629 4.114
204 2HD1 LEU 29 2HD1 LEU 29 -8.919 -4.966 4.135
205 3HD1 LEU 29 3HD1 LEU 29 -7.862 -5.847 3.031
206 1HD2 LEU 29 1HD2 LEU 29 -9.964 -2.914 1.546
207 2HD2 LEU 29 2HD2 LEU 29 -10.352 -4.100 2.792
208 3HD2 LEU 29 3HD2 LEU 29 -9.739 -2.512 3.248
209 H HIS 30 H HIS 30 -4.769 -1.334 1.609
210 HA HIS 30 HA HIS 30 -4.700 1.060 3.196
211 1HB HIS 30 1HB HIS 30 -2.761 -0.187 3.503
212 2HB HIS 30 2HB HIS 30 -2.658 -0.640 1.806
213 HD1 HIS 30 HD1 HIS 30 -2.184 2.508 3.931
214 HD2 HIS 30 HD2 HIS 30 -0.810 0.744 0.422
215 HE1 HIS 30 HE1 HIS 30 -0.407 4.055 2.995
216 H ARG 31 H ARG 31 -4.426 0.247 -0.206
217 HA ARG 31 HA ARG 31 -3.510 2.803 -0.995
218 1HB ARG 31 1HB ARG 31 -4.681 0.531 -2.598
219 2HB ARG 31 2HB ARG 31 -4.018 2.000 -3.308
220 1HG ARG 31 1HG ARG 31 -1.897 1.423 -1.960
221 2HG ARG 31 2HG ARG 31 -2.604 -0.186 -1.834
222 1HD ARG 31 1HD ARG 31 -1.028 0.006 -3.708
223 2HD ARG 31 2HD ARG 31 -2.666 -0.377 -4.251
224 HE ARG 31 HE ARG 31 -1.324 2.229 -4.487
225 1HH1 ARG 31 1HH1 ARG 31 -3.829 -0.024 -5.465
226 2HH1 ARG 31 2HH1 ARG 31 -4.385 0.976 -6.773
227 1HH2 ARG 31 1HH2 ARG 31 -2.056 3.539 -6.213
228 2HH2 ARG 31 2HH2 ARG 31 -3.387 2.995 -7.200
229 H LYS 32 H LYS 32 -6.346 2.159 0.305
230 HA LYS 32 HA LYS 32 -8.199 3.453 -1.438
231 1HB LYS 32 1HB LYS 32 -8.241 2.263 1.187
232 2HB LYS 32 2HB LYS 32 -9.047 3.825 1.214
233 1HG LYS 32 1HG LYS 32 -10.622 2.033 0.781
234 2HG LYS 32 2HG LYS 32 -10.498 3.113 -0.611
235 1HD LYS 32 1HD LYS 32 -9.987 1.382 -1.899
236 2HD LYS 32 2HD LYS 32 -8.545 1.084 -0.922
237 1HE LYS 32 1HE LYS 32 -9.479 -0.652 0.145
238 2HE LYS 32 2HE LYS 32 -11.040 0.156 0.296
239 1HZ LYS 32 1HZ LYS 32 -10.386 -0.623 -2.402
240 2HZ LYS 32 2HZ LYS 32 -11.817 -0.856 -1.519
241 3HZ LYS 32 3HZ LYS 32 -10.522 -1.934 -1.333
242 H ARG 33 H ARG 33 -5.790 4.439 0.819
243 HA ARG 33 HA ARG 33 -6.678 7.198 0.944
244 1HB ARG 33 1HB ARG 33 -4.735 5.544 2.312
245 2HB ARG 33 2HB ARG 33 -4.020 7.064 1.801
246 1HG ARG 33 1HG ARG 33 -6.338 6.607 3.644
247 2HG ARG 33 2HG ARG 33 -4.819 7.440 3.969
248 1HD ARG 33 1HD ARG 33 -6.863 8.408 1.989
249 2HD ARG 33 2HD ARG 33 -6.820 8.925 3.672
250 HE ARG 33 HE ARG 33 -5.145 9.836 1.542
251 1HH1 ARG 33 1HH1 ARG 33 -5.216 9.272 5.009
252 2HH1 ARG 33 2HH1 ARG 33 -3.989 10.453 5.351
253 1HH2 ARG 33 1HH2 ARG 33 -3.565 11.392 1.987
254 2HH2 ARG 33 2HH2 ARG 33 -3.071 11.686 3.635
255 H HIS 34 H HIS 34 -5.534 5.449 -1.476
256 HA HIS 34 HA HIS 34 -3.842 7.617 -2.534
257 1HB HIS 34 1HB HIS 34 -3.804 4.653 -3.134
258 2HB HIS 34 2HB HIS 34 -2.915 5.848 -4.071
259 HD1 HIS 34 HD1 HIS 34 -1.388 7.469 -2.215
260 HD2 HIS 34 HD2 HIS 34 -2.176 3.469 -1.390
261 HE1 HIS 34 HE1 HIS 34 0.369 6.715 -0.554
262 H MET 35 H MET 35 -6.748 7.438 -2.527
263 HA MET 35 HA MET 35 -7.324 6.982 -5.375
264 1HB MET 35 1HB MET 35 -9.136 7.109 -2.966
265 2HB MET 35 2HB MET 35 -9.728 7.028 -4.619
266 1HG MET 35 1HG MET 35 -8.409 4.895 -4.856
267 2HG MET 35 2HG MET 35 -8.157 4.962 -3.113
268 1HE MET 35 1HE MET 35 -10.126 3.118 -5.609
269 2HE MET 35 2HE MET 35 -9.248 2.457 -4.231
270 3HE MET 35 3HE MET 35 -10.996 2.243 -4.348
271 H LEU 36 H LEU 36 -7.647 9.317 -2.754
272 HA LEU 36 HA LEU 36 -7.753 11.458 -4.717
273 1HB LEU 36 1HB LEU 36 -9.585 11.941 -2.478
274 2HB LEU 36 2HB LEU 36 -9.773 12.321 -4.177
275 HG LEU 36 HG LEU 36 -10.091 9.581 -4.128
276 1HD1 LEU 36 1HD1 LEU 36 -10.234 10.177 -1.509
277 2HD1 LEU 36 2HD1 LEU 36 -11.917 10.429 -1.976
278 3HD1 LEU 36 3HD1 LEU 36 -11.147 8.870 -2.264
279 1HD2 LEU 36 1HD2 LEU 36 -12.420 11.424 -3.792
280 2HD2 LEU 36 2HD2 LEU 36 -11.392 11.543 -5.220
281 3HD2 LEU 36 3HD2 LEU 36 -12.235 10.036 -4.864
282 H VAL 37 H VAL 37 -5.609 10.786 -3.427
283 HA VAL 37 HA VAL 37 -3.905 11.629 -2.232
284 HB VAL 37 HB VAL 37 -5.547 13.877 -2.509
285 1HG1 VAL 37 1HG1 VAL 37 -4.668 13.540 0.348
286 2HG1 VAL 37 2HG1 VAL 37 -5.008 15.112 -0.377
287 3HG1 VAL 37 3HG1 VAL 37 -6.283 13.899 -0.262
288 1HG2 VAL 37 1HG2 VAL 37 -3.174 14.831 -1.521
289 2HG2 VAL 37 2HG2 VAL 37 -2.739 13.228 -2.117
290 3HG2 VAL 37 3HG2 VAL 37 -3.496 14.396 -3.199
Start of MODEL 11
1 1H GLY 1 1H GLY 1 14.977 4.267 -5.955
2 2H GLY 1 2H GLY 1 13.901 4.136 -4.655
3 3H GLY 1 3H GLY 1 13.629 5.291 -5.865
4 1HA GLY 1 1HA GLY 1 12.533 3.862 -7.130
5 2HA GLY 1 2HA GLY 1 13.847 2.700 -6.998
6 H SER 2 H SER 2 11.394 1.672 -7.100
7 HA SER 2 HA SER 2 10.213 1.381 -4.497
8 1HB SER 2 1HB SER 2 9.504 -0.557 -6.618
9 2HB SER 2 2HB SER 2 8.459 0.443 -5.604
10 HG SER 2 HG SER 2 9.231 0.859 -8.133
11 H THR 3 H THR 3 10.170 -0.466 -3.213
12 HA THR 3 HA THR 3 11.027 -2.286 -2.164
13 HB THR 3 HB THR 3 12.004 -3.391 -4.776
14 HG1 THR 3 HG1 THR 3 9.489 -2.491 -4.245
15 1HG2 THR 3 1HG2 THR 3 12.168 -4.605 -2.537
16 2HG2 THR 3 2HG2 THR 3 11.405 -5.485 -3.859
17 3HG2 THR 3 3HG2 THR 3 10.410 -4.740 -2.607
18 H ARG 4 H ARG 4 12.638 -0.182 -1.980
19 HA ARG 4 HA ARG 4 15.340 -1.013 -2.713
20 1HB ARG 4 1HB ARG 4 16.035 1.232 -2.043
21 2HB ARG 4 2HB ARG 4 14.708 1.311 -3.192
22 1HG ARG 4 1HG ARG 4 13.627 2.633 -1.791
23 2HG ARG 4 2HG ARG 4 13.534 1.297 -0.643
24 1HD ARG 4 1HD ARG 4 16.085 2.175 -0.254
25 2HD ARG 4 2HD ARG 4 15.249 3.679 -0.636
26 HE ARG 4 HE ARG 4 13.866 2.081 1.310
27 1HH1 ARG 4 1HH1 ARG 4 16.421 4.443 0.870
28 2HH1 ARG 4 2HH1 ARG 4 16.303 5.057 2.498
29 1HH2 ARG 4 1HH2 ARG 4 13.713 2.883 3.433
30 2HH2 ARG 4 2HH2 ARG 4 14.734 4.193 3.945
31 H GLY 5 H GLY 5 16.839 -1.686 -1.299
32 1HA GLY 5 1HA GLY 5 17.807 -2.386 0.660
33 2HA GLY 5 2HA GLY 5 16.940 -1.069 1.434
34 H SER 6 H SER 6 15.125 -1.478 2.598
35 HA SER 6 HA SER 6 14.165 -4.258 2.705
36 1HB SER 6 1HB SER 6 13.925 -3.247 5.311
37 2HB SER 6 2HB SER 6 15.063 -4.468 4.749
38 HG SER 6 HG SER 6 15.686 -2.177 5.752
39 H THR 7 H THR 7 13.379 -1.395 1.790
40 HA THR 7 HA THR 7 10.724 -1.284 3.033
41 HB THR 7 HB THR 7 10.860 0.812 1.220
42 HG1 THR 7 HG1 THR 7 13.210 0.233 1.179
43 1HG2 THR 7 1HG2 THR 7 9.883 1.033 3.391
44 2HG2 THR 7 2HG2 THR 7 11.196 2.205 3.286
45 3HG2 THR 7 3HG2 THR 7 11.425 0.702 4.179
46 H GLY 8 H GLY 8 9.627 -2.907 2.032
47 1HA GLY 8 1HA GLY 8 8.121 -2.894 -0.043
48 2HA GLY 8 2HA GLY 8 9.645 -2.971 -0.916
49 H ILE 9 H ILE 9 8.668 -4.559 2.060
50 HA ILE 9 HA ILE 9 9.552 -7.141 1.111
51 HB ILE 9 HB ILE 9 7.939 -6.748 3.606
52 1HG1 ILE 9 1HG1 ILE 9 10.899 -6.366 3.701
53 2HG1 ILE 9 2HG1 ILE 9 9.891 -5.001 3.230
54 1HG2 ILE 9 1HG2 ILE 9 10.405 -8.387 3.450
55 2HG2 ILE 9 2HG2 ILE 9 8.904 -8.684 4.324
56 3HG2 ILE 9 3HG2 ILE 9 8.984 -8.961 2.585
57 1HD1 ILE 9 1HD1 ILE 9 8.754 -5.022 5.311
58 2HD1 ILE 9 2HD1 ILE 9 9.486 -6.562 5.764
59 3HD1 ILE 9 3HD1 ILE 9 10.482 -5.111 5.650
60 H LYS 10 H LYS 10 8.053 -9.050 1.248
61 HA LYS 10 HA LYS 10 6.143 -10.184 0.752
62 1HB LYS 10 1HB LYS 10 5.100 -7.682 1.861
63 2HB LYS 10 2HB LYS 10 4.005 -8.481 0.741
64 1HG LYS 10 1HG LYS 10 3.462 -10.008 2.248
65 2HG LYS 10 2HG LYS 10 5.158 -10.384 2.563
66 1HD LYS 10 1HD LYS 10 4.316 -7.826 3.686
67 2HD LYS 10 2HD LYS 10 3.419 -9.202 4.332
68 1HE LYS 10 1HE LYS 10 5.707 -10.302 4.655
69 2HE LYS 10 2HE LYS 10 6.376 -8.690 4.405
70 1HZ LYS 10 1HZ LYS 10 4.247 -8.603 6.269
71 2HZ LYS 10 2HZ LYS 10 5.864 -8.139 6.471
72 3HZ LYS 10 3HZ LYS 10 5.400 -9.748 6.762
73 HA PRO 11 HA PRO 11 5.828 -9.704 -3.582
74 1HB PRO 11 1HB PRO 11 3.444 -10.988 -4.046
75 2HB PRO 11 2HB PRO 11 4.979 -11.815 -3.761
76 1HG PRO 11 1HG PRO 11 2.756 -11.235 -1.849
77 2HG PRO 11 2HG PRO 11 3.711 -12.718 -2.038
78 1HD PRO 11 1HD PRO 11 4.213 -10.983 -0.062
79 2HD PRO 11 2HD PRO 11 5.528 -11.838 -0.893
80 H PHE 12 H PHE 12 3.363 -8.511 -1.487
81 HA PHE 12 HA PHE 12 2.414 -6.730 -3.628
82 1HB PHE 12 1HB PHE 12 0.797 -7.700 -1.265
83 2HB PHE 12 2HB PHE 12 0.223 -6.719 -2.613
84 HD1 PHE 12 HD1 PHE 12 0.076 -9.858 -1.302
85 HD2 PHE 12 HD2 PHE 12 0.895 -7.917 -5.001
86 HE1 PHE 12 HE1 PHE 12 -0.542 -11.905 -2.506
87 HE2 PHE 12 HE2 PHE 12 0.275 -9.968 -6.215
88 HZ PHE 12 HZ PHE 12 -0.442 -11.962 -4.966
89 H GLN 13 H GLN 13 4.148 -5.308 -2.915
90 HA GLN 13 HA GLN 13 3.702 -3.982 -0.364
91 1HB GLN 13 1HB GLN 13 5.835 -3.016 -0.664
92 2HB GLN 13 2HB GLN 13 5.989 -4.672 -1.235
93 1HG GLN 13 1HG GLN 13 5.256 -2.681 -3.262
94 2HG GLN 13 2HG GLN 13 6.868 -2.543 -2.580
95 1HE2 GLN 13 1HE2 GLN 13 7.867 -4.898 -2.318
96 2HE2 GLN 13 2HE2 GLN 13 7.823 -5.829 -3.772
97 H CYS 14 H CYS 14 3.460 -1.616 -0.353
98 HA CYS 14 HA CYS 14 1.601 -0.729 -2.316
99 1HB CYS 14 1HB CYS 14 1.455 0.211 -0.072
100 2HB CYS 14 2HB CYS 14 3.081 0.881 -0.220
101 HA PRO 15 HA PRO 15 4.697 0.523 -5.269
102 1HB PRO 15 1HB PRO 15 3.011 1.652 -7.066
103 2HB PRO 15 2HB PRO 15 3.211 -0.094 -6.903
104 1HG PRO 15 1HG PRO 15 1.049 1.676 -5.845
105 2HG PRO 15 2HG PRO 15 0.925 0.060 -6.563
106 1HD PRO 15 1HD PRO 15 0.850 0.517 -3.879
107 2HD PRO 15 2HD PRO 15 1.454 -0.990 -4.592
108 H ASP 16 H ASP 16 2.850 2.482 -3.262
109 HA ASP 16 HA ASP 16 4.087 4.935 -4.343
110 1HB ASP 16 1HB ASP 16 1.536 4.772 -4.171
111 2HB ASP 16 2HB ASP 16 1.760 4.868 -2.427
112 H CYS 17 H CYS 17 3.612 2.992 -1.467
113 HA CYS 17 HA CYS 17 5.285 4.861 0.055
114 1HB CYS 17 1HB CYS 17 3.527 2.634 1.078
115 2HB CYS 17 2HB CYS 17 4.407 3.796 2.064
116 H ASP 18 H ASP 18 5.070 1.581 -1.042
117 HA ASP 18 HA ASP 18 6.582 -0.121 -1.157
118 1HB ASP 18 1HB ASP 18 8.333 2.097 -0.433
119 2HB ASP 18 2HB ASP 18 8.866 0.565 0.253
120 H ARG 19 H ARG 19 4.643 -0.156 0.599
121 HA ARG 19 HA ARG 19 5.628 -0.783 3.252
122 1HB ARG 19 1HB ARG 19 2.980 -0.476 1.960
123 2HB ARG 19 2HB ARG 19 3.065 -1.607 3.305
124 1HG ARG 19 1HG ARG 19 3.152 0.026 4.797
125 2HG ARG 19 2HG ARG 19 4.399 0.891 3.898
126 1HD ARG 19 1HD ARG 19 2.742 2.416 3.672
127 2HD ARG 19 2HD ARG 19 2.313 1.385 2.307
128 HE ARG 19 HE ARG 19 0.365 0.897 3.373
129 1HH1 ARG 19 1HH1 ARG 19 2.678 2.040 5.761
130 2HH1 ARG 19 2HH1 ARG 19 1.554 1.919 7.087
131 1HH2 ARG 19 1HH2 ARG 19 -1.105 0.740 5.166
132 2HH2 ARG 19 2HH2 ARG 19 -0.553 1.176 6.754
133 H SER 20 H SER 20 3.579 -2.978 3.529
134 HA SER 20 HA SER 20 4.466 -5.020 1.712
135 1HB SER 20 1HB SER 20 5.055 -6.385 3.987
136 2HB SER 20 2HB SER 20 6.257 -5.612 2.956
137 HG SER 20 HG SER 20 5.058 -3.984 4.865
138 H PHE 21 H PHE 21 2.803 -6.228 1.300
139 HA PHE 21 HA PHE 21 0.967 -6.989 3.447
140 1HB PHE 21 1HB PHE 21 -0.026 -6.171 0.711
141 2HB PHE 21 2HB PHE 21 -0.981 -6.507 2.150
142 HD1 PHE 21 HD1 PHE 21 1.375 -4.100 0.631
143 HD2 PHE 21 HD2 PHE 21 -1.464 -4.813 3.717
144 HE1 PHE 21 HE1 PHE 21 1.393 -1.706 1.193
145 HE2 PHE 21 HE2 PHE 21 -1.443 -2.422 4.295
146 HZ PHE 21 HZ PHE 21 -0.006 -0.870 3.031
147 H SER 22 H SER 22 0.396 -9.097 3.345
148 HA SER 22 HA SER 22 1.714 -10.728 1.344
149 1HB SER 22 1HB SER 22 0.003 -12.284 3.014
150 2HB SER 22 2HB SER 22 1.763 -12.173 3.062
151 HG SER 22 HG SER 22 1.636 -10.949 4.771
152 H ARG 23 H ARG 23 -1.358 -9.368 1.927
153 HA ARG 23 HA ARG 23 -2.614 -11.038 -0.152
154 1HB ARG 23 1HB ARG 23 -3.742 -9.441 2.132
155 2HB ARG 23 2HB ARG 23 -4.736 -9.859 0.751
156 1HG ARG 23 1HG ARG 23 -3.450 -12.220 1.624
157 2HG ARG 23 2HG ARG 23 -4.128 -11.406 3.041
158 1HD ARG 23 1HD ARG 23 -5.611 -12.032 0.501
159 2HD ARG 23 2HD ARG 23 -5.734 -12.953 1.998
160 HE ARG 23 HE ARG 23 -6.428 -10.103 2.007
161 1HH1 ARG 23 1HH1 ARG 23 -7.436 -13.447 2.245
162 2HH1 ARG 23 2HH1 ARG 23 -8.995 -13.057 2.914
163 1HH2 ARG 23 1HH2 ARG 23 -8.483 -9.581 2.826
164 2HH2 ARG 23 2HH2 ARG 23 -9.602 -10.860 3.210
165 H SER 24 H SER 24 -3.240 -10.115 -2.014
166 HA SER 24 HA SER 24 -2.457 -7.471 -2.702
167 1HB SER 24 1HB SER 24 -3.346 -9.724 -4.074
168 2HB SER 24 2HB SER 24 -4.630 -8.544 -4.320
169 HG SER 24 HG SER 24 -2.864 -7.057 -4.931
170 H ASP 25 H ASP 25 -5.286 -8.905 -1.316
171 HA ASP 25 HA ASP 25 -7.137 -6.797 -1.660
172 1HB ASP 25 1HB ASP 25 -8.163 -8.732 -0.948
173 2HB ASP 25 2HB ASP 25 -6.854 -9.159 0.139
174 H HIS 26 H HIS 26 -4.899 -7.614 0.931
175 HA HIS 26 HA HIS 26 -5.481 -5.498 2.673
176 1HB HIS 26 1HB HIS 26 -3.396 -7.525 2.411
177 2HB HIS 26 2HB HIS 26 -2.780 -6.008 3.059
178 HD1 HIS 26 HD1 HIS 26 -2.539 -6.528 5.495
179 HD2 HIS 26 HD2 HIS 26 -6.237 -7.680 3.975
180 HE1 HIS 26 HE1 HIS 26 -3.897 -7.242 7.484
181 HE2 HIS 26 HE2 HIS 26 -6.164 -7.846 6.560
182 H LEU 27 H LEU 27 -3.278 -5.735 -0.055
183 HA LEU 27 HA LEU 27 -1.936 -3.285 0.156
184 1HB LEU 27 1HB LEU 27 -1.581 -5.191 -1.517
185 2HB LEU 27 2HB LEU 27 -2.910 -4.501 -2.425
186 HG LEU 27 HG LEU 27 -1.655 -2.844 -3.270
187 1HD1 LEU 27 1HD1 LEU 27 0.077 -2.702 -0.812
188 2HD1 LEU 27 2HD1 LEU 27 -0.059 -1.515 -2.113
189 3HD1 LEU 27 3HD1 LEU 27 -1.420 -1.785 -1.021
190 1HD2 LEU 27 1HD2 LEU 27 0.839 -4.172 -2.378
191 2HD2 LEU 27 2HD2 LEU 27 -0.316 -5.125 -3.309
192 3HD2 LEU 27 3HD2 LEU 27 0.346 -3.636 -3.984
193 H ALA 28 H ALA 28 -4.774 -4.071 -1.819
194 HA ALA 28 HA ALA 28 -5.414 -1.524 -2.646
195 1HB ALA 28 1HB ALA 28 -6.661 -2.976 -3.821
196 2HB ALA 28 2HB ALA 28 -6.835 -4.094 -2.468
197 3HB ALA 28 3HB ALA 28 -7.865 -2.665 -2.569
198 H LEU 29 H LEU 29 -6.346 -3.143 0.358
199 HA LEU 29 HA LEU 29 -8.291 -1.339 1.242
200 1HB LEU 29 1HB LEU 29 -6.344 -3.039 2.780
201 2HB LEU 29 2HB LEU 29 -7.616 -2.104 3.539
202 HG LEU 29 HG LEU 29 -8.157 -4.223 1.468
203 1HD1 LEU 29 1HD1 LEU 29 -7.048 -5.266 3.349
204 2HD1 LEU 29 2HD1 LEU 29 -8.148 -4.465 4.474
205 3HD1 LEU 29 3HD1 LEU 29 -8.766 -5.680 3.351
206 1HD2 LEU 29 1HD2 LEU 29 -10.421 -4.133 2.383
207 2HD2 LEU 29 2HD2 LEU 29 -9.923 -2.864 3.504
208 3HD2 LEU 29 3HD2 LEU 29 -9.917 -2.560 1.767
209 H HIS 30 H HIS 30 -4.775 -1.313 1.710
210 HA HIS 30 HA HIS 30 -4.803 1.090 3.263
211 1HB HIS 30 1HB HIS 30 -2.857 -0.084 3.688
212 2HB HIS 30 2HB HIS 30 -2.691 -0.628 2.025
213 HD1 HIS 30 HD1 HIS 30 -2.339 2.655 3.953
214 HD2 HIS 30 HD2 HIS 30 -0.802 0.675 0.633
215 HE1 HIS 30 HE1 HIS 30 -0.514 4.137 3.014
216 H ARG 31 H ARG 31 -4.462 0.281 -0.119
217 HA ARG 31 HA ARG 31 -3.547 2.854 -0.911
218 1HB ARG 31 1HB ARG 31 -4.632 0.516 -2.467
219 2HB ARG 31 2HB ARG 31 -4.069 2.002 -3.225
220 1HG ARG 31 1HG ARG 31 -1.920 1.539 -1.798
221 2HG ARG 31 2HG ARG 31 -2.527 -0.115 -1.813
222 1HD ARG 31 1HD ARG 31 -1.171 -0.082 -3.675
223 2HD ARG 31 2HD ARG 31 -2.754 0.274 -4.371
224 HE ARG 31 HE ARG 31 -0.627 2.244 -3.859
225 1HH1 ARG 31 1HH1 ARG 31 -3.598 1.333 -5.459
226 2HH1 ARG 31 2HH1 ARG 31 -3.488 2.577 -6.667
227 1HH2 ARG 31 1HH2 ARG 31 -0.477 3.907 -5.448
228 2HH2 ARG 31 2HH2 ARG 31 -1.737 4.066 -6.636
229 H LYS 32 H LYS 32 -6.469 2.048 0.256
230 HA LYS 32 HA LYS 32 -8.343 3.091 -1.532
231 1HB LYS 32 1HB LYS 32 -8.293 2.247 1.206
232 2HB LYS 32 2HB LYS 32 -9.181 3.759 1.087
233 1HG LYS 32 1HG LYS 32 -10.660 1.840 0.887
234 2HG LYS 32 2HG LYS 32 -10.639 2.789 -0.601
235 1HD LYS 32 1HD LYS 32 -8.680 1.053 -1.166
236 2HD LYS 32 2HD LYS 32 -9.640 0.054 -0.072
237 1HE LYS 32 1HE LYS 32 -10.859 -0.447 -1.881
238 2HE LYS 32 2HE LYS 32 -11.560 1.156 -1.675
239 1HZ LYS 32 1HZ LYS 32 -9.081 0.906 -3.231
240 2HZ LYS 32 2HZ LYS 32 -10.357 2.011 -3.399
241 3HZ LYS 32 3HZ LYS 32 -10.538 0.419 -3.947
242 H ARG 33 H ARG 33 -6.326 4.678 0.889
243 HA ARG 33 HA ARG 33 -7.505 7.258 0.371
244 1HB ARG 33 1HB ARG 33 -6.080 6.124 2.483
245 2HB ARG 33 2HB ARG 33 -4.995 7.337 1.818
246 1HG ARG 33 1HG ARG 33 -6.796 9.009 2.015
247 2HG ARG 33 2HG ARG 33 -7.811 7.779 2.769
248 1HD ARG 33 1HD ARG 33 -6.965 8.582 4.688
249 2HD ARG 33 2HD ARG 33 -5.569 7.590 4.272
250 HE ARG 33 HE ARG 33 -5.782 10.480 3.688
251 1HH1 ARG 33 1HH1 ARG 33 -3.911 7.637 4.553
252 2HH1 ARG 33 2HH1 ARG 33 -2.410 8.510 4.682
253 1HH2 ARG 33 1HH2 ARG 33 -3.812 11.634 3.877
254 2HH2 ARG 33 2HH2 ARG 33 -2.357 10.781 4.298
255 H HIS 34 H HIS 34 -5.597 5.490 -1.513
256 HA HIS 34 HA HIS 34 -3.747 7.640 -2.209
257 1HB HIS 34 1HB HIS 34 -3.934 4.743 -2.973
258 2HB HIS 34 2HB HIS 34 -2.988 5.860 -3.950
259 HD1 HIS 34 HD1 HIS 34 -1.524 7.509 -1.890
260 HD2 HIS 34 HD2 HIS 34 -2.124 3.415 -1.497
261 HE1 HIS 34 HE1 HIS 34 0.233 6.680 -0.271
262 H MET 35 H MET 35 -6.832 6.901 -2.820
263 HA MET 35 HA MET 35 -6.982 7.459 -5.641
264 1HB MET 35 1HB MET 35 -8.846 6.857 -3.451
265 2HB MET 35 2HB MET 35 -9.462 8.048 -4.589
266 1HG MET 35 1HG MET 35 -8.462 6.152 -6.257
267 2HG MET 35 2HG MET 35 -9.035 5.180 -4.906
268 1HE MET 35 1HE MET 35 -11.361 7.648 -7.894
269 2HE MET 35 2HE MET 35 -10.975 8.608 -6.466
270 3HE MET 35 3HE MET 35 -9.683 7.846 -7.394
271 H LEU 36 H LEU 36 -7.839 9.187 -2.665
272 HA LEU 36 HA LEU 36 -6.954 11.679 -3.856
273 1HB LEU 36 1HB LEU 36 -9.124 12.193 -4.263
274 2HB LEU 36 2HB LEU 36 -9.723 10.963 -3.165
275 HG LEU 36 HG LEU 36 -8.915 12.585 -1.317
276 1HD1 LEU 36 1HD1 LEU 36 -7.759 14.205 -2.609
277 2HD1 LEU 36 2HD1 LEU 36 -9.123 14.397 -3.711
278 3HD1 LEU 36 3HD1 LEU 36 -9.245 14.973 -2.048
279 1HD2 LEU 36 1HD2 LEU 36 -11.227 11.956 -1.692
280 2HD2 LEU 36 2HD2 LEU 36 -11.105 13.677 -1.325
281 3HD2 LEU 36 3HD2 LEU 36 -11.357 13.145 -2.987
282 H VAL 37 H VAL 37 -5.330 12.083 -2.495
283 HA VAL 37 HA VAL 37 -5.570 11.352 0.299
284 HB VAL 37 HB VAL 37 -3.500 10.956 -1.172
285 1HG1 VAL 37 1HG1 VAL 37 -3.593 13.791 -1.294
286 2HG1 VAL 37 2HG1 VAL 37 -2.128 13.318 -0.431
287 3HG1 VAL 37 3HG1 VAL 37 -2.441 12.690 -2.050
288 1HG2 VAL 37 1HG2 VAL 37 -2.027 11.794 0.899
289 2HG2 VAL 37 2HG2 VAL 37 -3.635 11.887 1.621
290 3HG2 VAL 37 3HG2 VAL 37 -3.055 10.360 0.955
Start of MODEL 12
1 1H GLY 1 1H GLY 1 8.224 5.609 -3.763
2 2H GLY 1 2H GLY 1 9.223 4.345 -3.230
3 3H GLY 1 3H GLY 1 9.871 5.892 -3.475
4 1HA GLY 1 1HA GLY 1 9.054 6.728 -1.546
5 2HA GLY 1 2HA GLY 1 7.659 5.655 -1.584
6 H SER 2 H SER 2 9.199 6.078 0.731
7 HA SER 2 HA SER 2 10.006 3.333 1.228
8 1HB SER 2 1HB SER 2 11.955 5.092 2.467
9 2HB SER 2 2HB SER 2 12.219 3.670 1.459
10 HG SER 2 HG SER 2 11.404 6.062 0.226
11 H THR 3 H THR 3 8.818 2.787 2.928
12 HA THR 3 HA THR 3 7.734 4.705 4.725
13 HB THR 3 HB THR 3 7.132 2.554 6.059
14 HG1 THR 3 HG1 THR 3 7.853 1.389 3.537
15 1HG2 THR 3 1HG2 THR 3 5.926 3.910 3.970
16 2HG2 THR 3 2HG2 THR 3 5.158 2.726 5.028
17 3HG2 THR 3 3HG2 THR 3 5.839 2.218 3.482
18 H ARG 4 H ARG 4 10.750 3.760 4.484
19 HA ARG 4 HA ARG 4 12.603 3.682 5.785
20 1HB ARG 4 1HB ARG 4 10.783 5.537 7.248
21 2HB ARG 4 2HB ARG 4 12.245 5.002 8.065
22 1HG ARG 4 1HG ARG 4 13.492 6.415 6.901
23 2HG ARG 4 2HG ARG 4 12.846 5.813 5.374
24 1HD ARG 4 1HD ARG 4 11.051 7.556 6.937
25 2HD ARG 4 2HD ARG 4 12.488 8.332 6.276
26 HE ARG 4 HE ARG 4 10.519 6.870 4.625
27 1HH1 ARG 4 1HH1 ARG 4 12.779 9.515 5.091
28 2HH1 ARG 4 2HH1 ARG 4 12.395 10.274 3.572
29 1HH2 ARG 4 1HH2 ARG 4 10.024 7.865 2.625
30 2HH2 ARG 4 2HH2 ARG 4 10.832 9.338 2.175
31 H GLY 5 H GLY 5 11.135 1.435 5.839
32 1HA GLY 5 1HA GLY 5 11.986 0.152 8.225
33 2HA GLY 5 2HA GLY 5 10.249 0.431 8.263
34 H SER 6 H SER 6 8.924 -0.559 6.679
35 HA SER 6 HA SER 6 9.788 -3.159 5.855
36 1HB SER 6 1HB SER 6 7.503 -3.065 4.627
37 2HB SER 6 2HB SER 6 7.499 -3.020 6.391
38 HG SER 6 HG SER 6 7.518 -0.652 4.831
39 H THR 7 H THR 7 11.382 -3.137 4.339
40 HA THR 7 HA THR 7 11.384 -1.204 2.216
41 HB THR 7 HB THR 7 13.330 -3.102 1.619
42 HG1 THR 7 HG1 THR 7 13.473 -2.676 4.420
43 1HG2 THR 7 1HG2 THR 7 13.319 -0.490 1.898
44 2HG2 THR 7 2HG2 THR 7 14.814 -1.404 2.080
45 3HG2 THR 7 3HG2 THR 7 13.931 -0.869 3.508
46 H GLY 8 H GLY 8 9.260 -1.954 1.354
47 1HA GLY 8 1HA GLY 8 7.994 -3.043 -0.218
48 2HA GLY 8 2HA GLY 8 9.502 -3.139 -1.112
49 H ILE 9 H ILE 9 8.446 -4.715 1.865
50 HA ILE 9 HA ILE 9 9.400 -7.279 0.953
51 HB ILE 9 HB ILE 9 7.669 -6.980 3.364
52 1HG1 ILE 9 1HG1 ILE 9 10.589 -6.319 3.547
53 2HG1 ILE 9 2HG1 ILE 9 9.412 -5.060 3.192
54 1HG2 ILE 9 1HG2 ILE 9 8.431 -9.180 2.935
55 2HG2 ILE 9 2HG2 ILE 9 10.080 -8.628 2.644
56 3HG2 ILE 9 3HG2 ILE 9 9.407 -8.571 4.272
57 1HD1 ILE 9 1HD1 ILE 9 8.695 -6.732 5.474
58 2HD1 ILE 9 2HD1 ILE 9 10.195 -5.828 5.681
59 3HD1 ILE 9 3HD1 ILE 9 8.699 -4.976 5.303
60 H LYS 10 H LYS 10 7.884 -9.208 1.113
61 HA LYS 10 HA LYS 10 6.007 -10.353 0.557
62 1HB LYS 10 1HB LYS 10 4.883 -7.792 1.545
63 2HB LYS 10 2HB LYS 10 3.813 -8.814 0.592
64 1HG LYS 10 1HG LYS 10 3.469 -10.158 2.316
65 2HG LYS 10 2HG LYS 10 5.204 -10.399 2.538
66 1HD LYS 10 1HD LYS 10 4.413 -7.782 3.442
67 2HD LYS 10 2HD LYS 10 3.442 -9.028 4.226
68 1HE LYS 10 1HE LYS 10 6.384 -9.430 4.043
69 2HE LYS 10 2HE LYS 10 5.769 -8.262 5.212
70 1HZ LYS 10 1HZ LYS 10 4.980 -9.874 6.520
71 2HZ LYS 10 2HZ LYS 10 6.023 -10.900 5.662
72 3HZ LYS 10 3HZ LYS 10 4.388 -10.798 5.224
73 HA PRO 11 HA PRO 11 5.653 -9.862 -3.774
74 1HB PRO 11 1HB PRO 11 3.274 -11.152 -4.239
75 2HB PRO 11 2HB PRO 11 4.807 -11.980 -3.947
76 1HG PRO 11 1HG PRO 11 2.580 -11.384 -2.042
77 2HG PRO 11 2HG PRO 11 3.523 -12.875 -2.226
78 1HD PRO 11 1HD PRO 11 4.039 -11.148 -0.250
79 2HD PRO 11 2HD PRO 11 5.353 -12.005 -1.084
80 H PHE 12 H PHE 12 3.394 -8.497 -1.636
81 HA PHE 12 HA PHE 12 2.349 -6.781 -3.774
82 1HB PHE 12 1HB PHE 12 0.794 -7.799 -1.383
83 2HB PHE 12 2HB PHE 12 0.185 -6.702 -2.619
84 HD1 PHE 12 HD1 PHE 12 0.654 -7.712 -5.121
85 HD2 PHE 12 HD2 PHE 12 0.046 -9.948 -1.553
86 HE1 PHE 12 HE1 PHE 12 -0.084 -9.642 -6.459
87 HE2 PHE 12 HE2 PHE 12 -0.695 -11.879 -2.882
88 HZ PHE 12 HZ PHE 12 -0.756 -11.729 -5.339
89 H GLN 13 H GLN 13 3.851 -5.176 -3.284
90 HA GLN 13 HA GLN 13 3.657 -3.984 -0.619
91 1HB GLN 13 1HB GLN 13 5.843 -3.206 -0.893
92 2HB GLN 13 2HB GLN 13 5.869 -4.799 -1.637
93 1HG GLN 13 1HG GLN 13 5.218 -3.272 -3.751
94 2HG GLN 13 2HG GLN 13 6.224 -2.156 -2.836
95 1HE2 GLN 13 1HE2 GLN 13 6.427 -5.675 -3.208
96 2HE2 GLN 13 2HE2 GLN 13 8.032 -5.685 -3.853
97 H CYS 14 H CYS 14 3.476 -1.641 -0.481
98 HA CYS 14 HA CYS 14 1.676 -0.572 -2.411
99 1HB CYS 14 1HB CYS 14 1.496 0.239 -0.124
100 2HB CYS 14 2HB CYS 14 3.155 0.842 -0.177
101 HA PRO 15 HA PRO 15 4.823 0.873 -5.199
102 1HB PRO 15 1HB PRO 15 3.196 2.093 -6.973
103 2HB PRO 15 2HB PRO 15 3.320 0.333 -6.865
104 1HG PRO 15 1HG PRO 15 1.224 2.159 -5.766
105 2HG PRO 15 2HG PRO 15 1.036 0.580 -6.551
106 1HD PRO 15 1HD PRO 15 0.970 0.950 -3.839
107 2HD PRO 15 2HD PRO 15 1.462 -0.567 -4.616
108 H ASP 16 H ASP 16 2.907 2.726 -3.147
109 HA ASP 16 HA ASP 16 4.092 5.250 -4.106
110 1HB ASP 16 1HB ASP 16 1.587 5.102 -3.912
111 2HB ASP 16 2HB ASP 16 1.789 4.908 -2.174
112 H CYS 17 H CYS 17 3.584 3.249 -1.254
113 HA CYS 17 HA CYS 17 5.367 5.027 0.244
114 1HB CYS 17 1HB CYS 17 3.608 2.870 1.395
115 2HB CYS 17 2HB CYS 17 4.413 4.174 2.259
116 H ASP 18 H ASP 18 4.960 1.754 -0.801
117 HA ASP 18 HA ASP 18 6.418 0.043 -1.080
118 1HB ASP 18 1HB ASP 18 8.662 0.250 -0.949
119 2HB ASP 18 2HB ASP 18 8.279 1.955 -0.841
120 H ARG 19 H ARG 19 4.519 0.580 1.042
121 HA ARG 19 HA ARG 19 5.276 -0.853 3.401
122 1HB ARG 19 1HB ARG 19 2.470 -0.887 2.382
123 2HB ARG 19 2HB ARG 19 3.058 -0.729 4.030
124 1HG ARG 19 1HG ARG 19 3.993 1.555 2.917
125 2HG ARG 19 2HG ARG 19 2.484 1.323 2.030
126 1HD ARG 19 1HD ARG 19 2.818 1.405 5.022
127 2HD ARG 19 2HD ARG 19 2.092 2.654 4.012
128 HE ARG 19 HE ARG 19 0.485 0.666 3.420
129 1HH1 ARG 19 1HH1 ARG 19 1.806 1.603 6.530
130 2HH1 ARG 19 2HH1 ARG 19 0.490 0.934 7.453
131 1HH2 ARG 19 1HH2 ARG 19 -1.282 -0.207 4.653
132 2HH2 ARG 19 2HH2 ARG 19 -1.282 -0.059 6.384
133 H SER 20 H SER 20 4.033 -3.006 3.887
134 HA SER 20 HA SER 20 4.198 -4.701 1.481
135 1HB SER 20 1HB SER 20 4.974 -6.083 3.917
136 2HB SER 20 2HB SER 20 5.794 -6.007 2.358
137 HG SER 20 HG SER 20 6.130 -3.655 3.329
138 H PHE 21 H PHE 21 2.721 -6.255 1.232
139 HA PHE 21 HA PHE 21 0.923 -6.942 3.433
140 1HB PHE 21 1HB PHE 21 -0.088 -6.119 0.700
141 2HB PHE 21 2HB PHE 21 -1.059 -6.570 2.098
142 HD1 PHE 21 HD1 PHE 21 -1.452 -5.028 3.886
143 HD2 PHE 21 HD2 PHE 21 1.045 -3.969 0.611
144 HE1 PHE 21 HE1 PHE 21 -1.546 -2.673 4.583
145 HE2 PHE 21 HE2 PHE 21 0.953 -1.614 1.298
146 HZ PHE 21 HZ PHE 21 -0.341 -0.966 3.287
147 H SER 22 H SER 22 0.457 -9.062 3.460
148 HA SER 22 HA SER 22 1.704 -10.819 1.604
149 1HB SER 22 1HB SER 22 -0.302 -12.187 3.098
150 2HB SER 22 2HB SER 22 1.442 -12.188 3.367
151 HG SER 22 HG SER 22 1.194 -10.853 4.982
152 H ARG 23 H ARG 23 -1.529 -9.551 2.034
153 HA ARG 23 HA ARG 23 -2.473 -11.041 -0.322
154 1HB ARG 23 1HB ARG 23 -3.847 -9.831 2.055
155 2HB ARG 23 2HB ARG 23 -4.737 -10.056 0.556
156 1HG ARG 23 1HG ARG 23 -3.537 -12.498 0.934
157 2HG ARG 23 2HG ARG 23 -3.959 -11.992 2.574
158 1HD ARG 23 1HD ARG 23 -5.893 -11.882 0.279
159 2HD ARG 23 2HD ARG 23 -5.720 -13.303 1.306
160 HE ARG 23 HE ARG 23 -6.644 -10.643 2.203
161 1HH1 ARG 23 1HH1 ARG 23 -6.504 -14.127 2.560
162 2HH1 ARG 23 2HH1 ARG 23 -7.593 -14.167 3.915
163 1HH2 ARG 23 1HH2 ARG 23 -8.119 -10.696 3.958
164 2HH2 ARG 23 2HH2 ARG 23 -8.527 -12.218 4.698
165 H SER 24 H SER 24 -3.222 -9.994 -2.083
166 HA SER 24 HA SER 24 -2.451 -7.294 -2.577
167 1HB SER 24 1HB SER 24 -3.332 -9.482 -4.095
168 2HB SER 24 2HB SER 24 -4.582 -8.260 -4.298
169 HG SER 24 HG SER 24 -2.549 -8.315 -5.716
170 H ASP 25 H ASP 25 -5.228 -8.883 -1.292
171 HA ASP 25 HA ASP 25 -7.137 -6.829 -1.516
172 1HB ASP 25 1HB ASP 25 -8.347 -8.556 -0.787
173 2HB ASP 25 2HB ASP 25 -6.895 -9.443 -0.389
174 H HIS 26 H HIS 26 -4.693 -7.622 0.902
175 HA HIS 26 HA HIS 26 -5.461 -5.620 2.778
176 1HB HIS 26 1HB HIS 26 -3.211 -7.511 2.456
177 2HB HIS 26 2HB HIS 26 -2.835 -6.033 3.338
178 HD1 HIS 26 HD1 HIS 26 -2.627 -7.125 5.620
179 HD2 HIS 26 HD2 HIS 26 -6.286 -7.847 3.768
180 HE1 HIS 26 HE1 HIS 26 -4.094 -8.147 7.391
181 HE2 HIS 26 HE2 HIS 26 -6.266 -8.678 6.223
182 H LEU 27 H LEU 27 -3.271 -5.769 0.053
183 HA LEU 27 HA LEU 27 -1.930 -3.326 0.327
184 1HB LEU 27 1HB LEU 27 -1.538 -5.167 -1.392
185 2HB LEU 27 2HB LEU 27 -2.900 -4.512 -2.273
186 HG LEU 27 HG LEU 27 -1.704 -2.816 -3.127
187 1HD1 LEU 27 1HD1 LEU 27 -0.321 -1.350 -1.994
188 2HD1 LEU 27 2HD1 LEU 27 -1.428 -1.900 -0.734
189 3HD1 LEU 27 3HD1 LEU 27 0.198 -2.577 -0.835
190 1HD2 LEU 27 1HD2 LEU 27 -0.367 -4.728 -3.704
191 2HD2 LEU 27 2HD2 LEU 27 0.680 -3.336 -3.427
192 3HD2 LEU 27 3HD2 LEU 27 0.538 -4.592 -2.197
193 H ALA 28 H ALA 28 -4.794 -4.067 -1.620
194 HA ALA 28 HA ALA 28 -5.421 -1.506 -2.418
195 1HB ALA 28 1HB ALA 28 -6.404 -3.636 -3.276
196 2HB ALA 28 2HB ALA 28 -7.450 -3.658 -1.858
197 3HB ALA 28 3HB ALA 28 -7.570 -2.338 -3.022
198 H LEU 29 H LEU 29 -6.347 -3.157 0.582
199 HA LEU 29 HA LEU 29 -8.241 -1.366 1.549
200 1HB LEU 29 1HB LEU 29 -6.175 -2.966 3.046
201 2HB LEU 29 2HB LEU 29 -7.472 -2.080 3.821
202 HG LEU 29 HG LEU 29 -7.909 -4.314 1.842
203 1HD1 LEU 29 1HD1 LEU 29 -7.322 -4.330 4.710
204 2HD1 LEU 29 2HD1 LEU 29 -8.763 -5.238 4.254
205 3HD1 LEU 29 3HD1 LEU 29 -7.207 -5.624 3.518
206 1HD2 LEU 29 1HD2 LEU 29 -9.854 -3.142 3.813
207 2HD2 LEU 29 2HD2 LEU 29 -9.698 -2.545 2.160
208 3HD2 LEU 29 3HD2 LEU 29 -10.182 -4.215 2.451
209 H HIS 30 H HIS 30 -4.717 -1.276 1.851
210 HA HIS 30 HA HIS 30 -4.714 1.210 3.293
211 1HB HIS 30 1HB HIS 30 -2.804 -0.008 3.779
212 2HB HIS 30 2HB HIS 30 -2.631 -0.596 2.130
213 HD1 HIS 30 HD1 HIS 30 -2.170 2.664 4.064
214 HD2 HIS 30 HD2 HIS 30 -0.766 0.709 0.670
215 HE1 HIS 30 HE1 HIS 30 -0.315 4.096 3.131
216 H ARG 31 H ARG 31 -4.402 0.169 -0.030
217 HA ARG 31 HA ARG 31 -3.407 2.657 -0.971
218 1HB ARG 31 1HB ARG 31 -4.431 0.174 -2.311
219 2HB ARG 31 2HB ARG 31 -4.066 1.619 -3.248
220 1HG ARG 31 1HG ARG 31 -1.796 1.485 -1.925
221 2HG ARG 31 2HG ARG 31 -2.244 -0.215 -1.789
222 1HD ARG 31 1HD ARG 31 -0.933 -0.073 -3.733
223 2HD ARG 31 2HD ARG 31 -2.605 -0.164 -4.300
224 HE ARG 31 HE ARG 31 -0.928 2.254 -4.263
225 1HH1 ARG 31 1HH1 ARG 31 -3.754 0.516 -5.389
226 2HH1 ARG 31 2HH1 ARG 31 -4.124 1.679 -6.635
227 1HH2 ARG 31 1HH2 ARG 31 -1.408 3.783 -5.904
228 2HH2 ARG 31 2HH2 ARG 31 -2.813 3.546 -6.905
229 H LYS 32 H LYS 32 -6.360 1.933 0.182
230 HA LYS 32 HA LYS 32 -8.175 2.998 -1.671
231 1HB LYS 32 1HB LYS 32 -8.208 2.125 1.058
232 2HB LYS 32 2HB LYS 32 -9.055 3.662 0.939
233 1HG LYS 32 1HG LYS 32 -10.495 1.645 0.688
234 2HG LYS 32 2HG LYS 32 -10.583 2.786 -0.654
235 1HD LYS 32 1HD LYS 32 -9.622 1.346 -2.122
236 2HD LYS 32 2HD LYS 32 -8.566 0.636 -0.896
237 1HE LYS 32 1HE LYS 32 -10.286 -0.759 -0.085
238 2HE LYS 32 2HE LYS 32 -11.531 0.142 -0.949
239 1HZ LYS 32 1HZ LYS 32 -11.327 -1.371 -2.539
240 2HZ LYS 32 2HZ LYS 32 -9.939 -2.044 -1.837
241 3HZ LYS 32 3HZ LYS 32 -9.801 -0.721 -2.893
242 H ARG 33 H ARG 33 -6.007 4.492 0.614
243 HA ARG 33 HA ARG 33 -7.134 7.131 0.200
244 1HB ARG 33 1HB ARG 33 -5.530 7.910 1.789
245 2HB ARG 33 2HB ARG 33 -6.194 6.404 2.403
246 1HG ARG 33 1HG ARG 33 -4.233 5.225 1.981
247 2HG ARG 33 2HG ARG 33 -3.622 6.453 0.870
248 1HD ARG 33 1HD ARG 33 -4.074 7.705 3.367
249 2HD ARG 33 2HD ARG 33 -3.200 6.206 3.678
250 HE ARG 33 HE ARG 33 -2.264 8.304 1.821
251 1HH1 ARG 33 1HH1 ARG 33 -1.650 5.806 4.204
252 2HH1 ARG 33 2HH1 ARG 33 0.069 6.077 4.226
253 1HH2 ARG 33 1HH2 ARG 33 -0.006 8.636 1.829
254 2HH2 ARG 33 2HH2 ARG 33 1.001 7.686 2.885
255 H HIS 34 H HIS 34 -5.459 5.245 -1.762
256 HA HIS 34 HA HIS 34 -3.751 7.424 -2.783
257 1HB HIS 34 1HB HIS 34 -3.590 4.438 -3.229
258 2HB HIS 34 2HB HIS 34 -2.612 5.615 -4.097
259 HD1 HIS 34 HD1 HIS 34 -1.557 7.399 -1.886
260 HD2 HIS 34 HD2 HIS 34 -1.930 3.272 -1.516
261 HE1 HIS 34 HE1 HIS 34 0.100 6.678 -0.111
262 H MET 35 H MET 35 -6.724 6.395 -3.113
263 HA MET 35 HA MET 35 -6.927 5.889 -5.926
264 1HB MET 35 1HB MET 35 -8.939 6.403 -3.746
265 2HB MET 35 2HB MET 35 -9.420 6.253 -5.431
266 1HG MET 35 1HG MET 35 -7.709 4.074 -4.713
267 2HG MET 35 2HG MET 35 -9.038 4.207 -3.560
268 1HE MET 35 1HE MET 35 -8.958 2.456 -7.605
269 2HE MET 35 2HE MET 35 -7.676 2.937 -6.491
270 3HE MET 35 3HE MET 35 -8.733 1.583 -6.089
271 H LEU 36 H LEU 36 -8.049 8.562 -3.860
272 HA LEU 36 HA LEU 36 -7.323 10.480 -5.912
273 1HB LEU 36 1HB LEU 36 -9.992 11.068 -4.902
274 2HB LEU 36 2HB LEU 36 -9.377 11.149 -6.540
275 HG LEU 36 HG LEU 36 -9.704 8.402 -5.846
276 1HD1 LEU 36 1HD1 LEU 36 -11.373 8.556 -4.347
277 2HD1 LEU 36 2HD1 LEU 36 -11.781 10.209 -4.810
278 3HD1 LEU 36 3HD1 LEU 36 -12.362 8.852 -5.776
279 1HD2 LEU 36 1HD2 LEU 36 -9.745 9.244 -8.101
280 2HD2 LEU 36 2HD2 LEU 36 -11.296 8.489 -7.740
281 3HD2 LEU 36 3HD2 LEU 36 -11.150 10.247 -7.741
282 H VAL 37 H VAL 37 -6.006 10.192 -3.694
283 HA VAL 37 HA VAL 37 -5.237 11.136 -1.803
284 HB VAL 37 HB VAL 37 -6.907 13.553 -2.503
285 1HG1 VAL 37 1HG1 VAL 37 -5.948 13.619 -0.269
286 2HG1 VAL 37 2HG1 VAL 37 -4.356 13.229 -0.920
287 3HG1 VAL 37 3HG1 VAL 37 -5.117 14.769 -1.319
288 1HG2 VAL 37 1HG2 VAL 37 -4.476 12.432 -3.755
289 2HG2 VAL 37 2HG2 VAL 37 -5.726 13.473 -4.437
290 3HG2 VAL 37 3HG2 VAL 37 -4.454 14.165 -3.429
Start of MODEL 13
1 1H GLY 1 1H GLY 1 6.789 -3.860 7.553
2 2H GLY 1 2H GLY 1 6.276 -3.726 5.943
3 3H GLY 1 3H GLY 1 5.142 -3.671 7.196
4 1HA GLY 1 1HA GLY 1 5.303 -1.480 7.216
5 2HA GLY 1 2HA GLY 1 6.959 -1.680 7.774
6 H SER 2 H SER 2 6.866 0.486 6.477
7 HA SER 2 HA SER 2 7.064 0.123 3.614
8 1HB SER 2 1HB SER 2 7.895 2.707 4.759
9 2HB SER 2 2HB SER 2 6.730 2.360 3.482
10 HG SER 2 HG SER 2 5.636 3.184 5.267
11 H THR 3 H THR 3 8.834 -0.808 2.888
12 HA THR 3 HA THR 3 10.998 -1.352 2.506
13 HB THR 3 HB THR 3 11.882 1.361 3.410
14 HG1 THR 3 HG1 THR 3 10.391 0.822 1.027
15 1HG2 THR 3 1HG2 THR 3 13.612 0.974 2.028
16 2HG2 THR 3 2HG2 THR 3 12.549 0.441 0.726
17 3HG2 THR 3 3HG2 THR 3 13.057 -0.699 1.971
18 H ARG 4 H ARG 4 13.140 0.241 4.144
19 HA ARG 4 HA ARG 4 14.416 -0.056 5.999
20 1HB ARG 4 1HB ARG 4 11.796 -1.015 7.021
21 2HB ARG 4 2HB ARG 4 13.232 -1.532 7.895
22 1HG ARG 4 1HG ARG 4 13.490 0.462 8.838
23 2HG ARG 4 2HG ARG 4 13.269 1.306 7.305
24 1HD ARG 4 1HD ARG 4 11.345 2.030 8.174
25 2HD ARG 4 2HD ARG 4 10.744 0.402 7.860
26 HE ARG 4 HE ARG 4 11.787 0.068 10.268
27 1HH1 ARG 4 1HH1 ARG 4 9.764 2.649 9.042
28 2HH1 ARG 4 2HH1 ARG 4 9.070 3.016 10.595
29 1HH2 ARG 4 1HH2 ARG 4 10.884 0.543 12.301
30 2HH2 ARG 4 2HH2 ARG 4 9.723 1.832 12.454
31 H GLY 5 H GLY 5 15.638 -1.330 4.525
32 1HA GLY 5 1HA GLY 5 17.018 -3.326 4.741
33 2HA GLY 5 2HA GLY 5 15.563 -4.207 5.190
34 H SER 6 H SER 6 14.077 -4.789 3.598
35 HA SER 6 HA SER 6 15.188 -4.918 0.910
36 1HB SER 6 1HB SER 6 12.538 -6.095 1.673
37 2HB SER 6 2HB SER 6 13.729 -6.686 0.511
38 HG SER 6 HG SER 6 15.090 -6.930 2.534
39 H THR 7 H THR 7 14.202 -4.041 -0.886
40 HA THR 7 HA THR 7 12.498 -1.756 -0.354
41 HB THR 7 HB THR 7 12.751 -1.491 -2.918
42 HG1 THR 7 HG1 THR 7 13.606 -3.805 -2.953
43 1HG2 THR 7 1HG2 THR 7 15.469 -1.267 -1.974
44 2HG2 THR 7 2HG2 THR 7 14.332 -0.726 -0.737
45 3HG2 THR 7 3HG2 THR 7 14.305 0.005 -2.343
46 H GLY 8 H GLY 8 10.490 -2.520 0.126
47 1HA GLY 8 1HA GLY 8 8.321 -3.082 -0.511
48 2HA GLY 8 2HA GLY 8 8.943 -3.608 -2.070
49 H ILE 9 H ILE 9 8.811 -4.498 1.351
50 HA ILE 9 HA ILE 9 9.572 -7.223 0.895
51 HB ILE 9 HB ILE 9 8.015 -6.319 3.292
52 1HG1 ILE 9 1HG1 ILE 9 10.961 -5.958 3.365
53 2HG1 ILE 9 2HG1 ILE 9 10.036 -4.741 2.492
54 1HG2 ILE 9 1HG2 ILE 9 10.473 -8.007 3.334
55 2HG2 ILE 9 2HG2 ILE 9 9.080 -8.025 4.415
56 3HG2 ILE 9 3HG2 ILE 9 8.945 -8.703 2.792
57 1HD1 ILE 9 1HD1 ILE 9 10.551 -4.746 5.175
58 2HD1 ILE 9 2HD1 ILE 9 9.281 -3.821 4.373
59 3HD1 ILE 9 3HD1 ILE 9 8.910 -5.387 5.096
60 H LYS 10 H LYS 10 8.071 -9.057 1.346
61 HA LYS 10 HA LYS 10 6.170 -10.248 1.008
62 1HB LYS 10 1HB LYS 10 5.226 -7.728 2.114
63 2HB LYS 10 2HB LYS 10 4.030 -8.485 1.069
64 1HG LYS 10 1HG LYS 10 3.570 -10.052 2.574
65 2HG LYS 10 2HG LYS 10 5.273 -10.391 2.866
66 1HD LYS 10 1HD LYS 10 4.254 -7.849 3.959
67 2HD LYS 10 2HD LYS 10 3.617 -9.319 4.703
68 1HE LYS 10 1HE LYS 10 6.552 -8.945 4.250
69 2HE LYS 10 2HE LYS 10 5.761 -8.274 5.674
70 1HZ LYS 10 1HZ LYS 10 5.072 -11.020 5.239
71 2HZ LYS 10 2HZ LYS 10 5.694 -10.269 6.627
72 3HZ LYS 10 3HZ LYS 10 6.747 -10.806 5.409
73 HA PRO 11 HA PRO 11 5.510 -10.229 -3.281
74 1HB PRO 11 1HB PRO 11 2.934 -11.235 -3.435
75 2HB PRO 11 2HB PRO 11 4.397 -12.206 -3.239
76 1HG PRO 11 1HG PRO 11 2.460 -11.256 -1.171
77 2HG PRO 11 2HG PRO 11 3.257 -12.834 -1.318
78 1HD PRO 11 1HD PRO 11 4.113 -11.031 0.446
79 2HD PRO 11 2HD PRO 11 5.270 -12.026 -0.465
80 H PHE 12 H PHE 12 3.217 -8.527 -1.281
81 HA PHE 12 HA PHE 12 2.476 -6.878 -3.595
82 1HB PHE 12 1HB PHE 12 0.719 -7.797 -1.317
83 2HB PHE 12 2HB PHE 12 0.256 -6.548 -2.472
84 HD1 PHE 12 HD1 PHE 12 0.468 -7.267 -5.004
85 HD2 PHE 12 HD2 PHE 12 0.087 -9.964 -1.737
86 HE1 PHE 12 HE1 PHE 12 -0.361 -9.005 -6.539
87 HE2 PHE 12 HE2 PHE 12 -0.748 -11.702 -3.261
88 HZ PHE 12 HZ PHE 12 -0.974 -11.225 -5.664
89 H GLN 13 H GLN 13 4.001 -5.314 -3.106
90 HA GLN 13 HA GLN 13 3.775 -3.956 -0.531
91 1HB GLN 13 1HB GLN 13 5.900 -2.973 -1.053
92 2HB GLN 13 2HB GLN 13 5.993 -4.694 -1.395
93 1HG GLN 13 1HG GLN 13 5.149 -3.257 -3.722
94 2HG GLN 13 2HG GLN 13 6.650 -2.588 -3.089
95 1HE2 GLN 13 1HE2 GLN 13 5.788 -5.962 -2.685
96 2HE2 GLN 13 2HE2 GLN 13 6.984 -6.591 -3.765
97 H CYS 14 H CYS 14 3.555 -1.615 -0.502
98 HA CYS 14 HA CYS 14 1.689 -0.671 -2.443
99 1HB CYS 14 1HB CYS 14 1.503 0.198 -0.180
100 2HB CYS 14 2HB CYS 14 3.143 0.847 -0.259
101 HA PRO 15 HA PRO 15 4.739 0.821 -5.308
102 1HB PRO 15 1HB PRO 15 3.085 2.035 -7.027
103 2HB PRO 15 2HB PRO 15 3.186 0.276 -6.911
104 1HG PRO 15 1HG PRO 15 1.151 2.140 -5.755
105 2HG PRO 15 2HG PRO 15 0.911 0.567 -6.537
106 1HD PRO 15 1HD PRO 15 0.931 0.928 -3.826
107 2HD PRO 15 2HD PRO 15 1.382 -0.594 -4.620
108 H ASP 16 H ASP 16 2.861 2.741 -3.224
109 HA ASP 16 HA ASP 16 4.189 5.198 -4.197
110 1HB ASP 16 1HB ASP 16 1.611 5.046 -4.037
111 2HB ASP 16 2HB ASP 16 1.857 5.171 -2.298
112 H CYS 17 H CYS 17 3.605 3.173 -1.399
113 HA CYS 17 HA CYS 17 5.290 4.952 0.214
114 1HB CYS 17 1HB CYS 17 3.529 2.713 1.200
115 2HB CYS 17 2HB CYS 17 4.324 3.951 2.169
116 H ASP 18 H ASP 18 5.025 1.704 -0.998
117 HA ASP 18 HA ASP 18 6.566 0.038 -1.224
118 1HB ASP 18 1HB ASP 18 8.285 2.021 -1.105
119 2HB ASP 18 2HB ASP 18 8.579 1.416 0.521
120 H ARG 19 H ARG 19 4.570 0.076 0.648
121 HA ARG 19 HA ARG 19 5.520 -0.812 3.214
122 1HB ARG 19 1HB ARG 19 2.758 -1.327 2.167
123 2HB ARG 19 2HB ARG 19 3.272 -1.041 3.823
124 1HG ARG 19 1HG ARG 19 3.963 1.277 2.454
125 2HG ARG 19 2HG ARG 19 2.377 0.830 1.826
126 1HD ARG 19 1HD ARG 19 3.027 0.982 4.758
127 2HD ARG 19 2HD ARG 19 2.366 2.330 3.838
128 HE ARG 19 HE ARG 19 0.450 0.747 3.331
129 1HH1 ARG 19 1HH1 ARG 19 2.407 0.448 6.225
130 2HH1 ARG 19 2HH1 ARG 19 1.102 -0.165 7.203
131 1HH2 ARG 19 1HH2 ARG 19 -1.276 -0.056 4.638
132 2HH2 ARG 19 2HH2 ARG 19 -0.986 -0.456 6.302
133 H SER 20 H SER 20 3.721 -3.057 3.587
134 HA SER 20 HA SER 20 4.528 -4.989 1.580
135 1HB SER 20 1HB SER 20 5.207 -6.378 3.849
136 2HB SER 20 2HB SER 20 6.343 -5.660 2.707
137 HG SER 20 HG SER 20 6.272 -3.742 4.007
138 H PHE 21 H PHE 21 2.864 -6.194 1.162
139 HA PHE 21 HA PHE 21 1.123 -7.093 3.341
140 1HB PHE 21 1HB PHE 21 0.062 -6.246 0.638
141 2HB PHE 21 2HB PHE 21 -0.867 -6.674 2.070
142 HD1 PHE 21 HD1 PHE 21 1.398 -4.129 0.641
143 HD2 PHE 21 HD2 PHE 21 -1.429 -5.070 3.679
144 HE1 PHE 21 HE1 PHE 21 1.313 -1.762 1.288
145 HE2 PHE 21 HE2 PHE 21 -1.510 -2.703 4.338
146 HZ PHE 21 HZ PHE 21 -0.133 -1.048 3.140
147 H SER 22 H SER 22 0.390 -9.177 3.134
148 HA SER 22 HA SER 22 1.763 -10.802 1.160
149 1HB SER 22 1HB SER 22 0.029 -12.406 2.700
150 2HB SER 22 2HB SER 22 1.773 -12.214 2.913
151 HG SER 22 HG SER 22 -0.198 -11.403 4.523
152 H ARG 23 H ARG 23 -1.273 -9.365 1.702
153 HA ARG 23 HA ARG 23 -2.484 -10.859 -0.536
154 1HB ARG 23 1HB ARG 23 -3.907 -9.457 1.741
155 2HB ARG 23 2HB ARG 23 -4.664 -10.363 0.438
156 1HG ARG 23 1HG ARG 23 -3.581 -12.407 1.249
157 2HG ARG 23 2HG ARG 23 -2.875 -11.485 2.581
158 1HD ARG 23 1HD ARG 23 -5.014 -12.798 3.059
159 2HD ARG 23 2HD ARG 23 -4.953 -11.119 3.585
160 HE ARG 23 HE ARG 23 -6.578 -10.573 2.026
161 1HH1 ARG 23 1HH1 ARG 23 -5.529 -13.896 1.600
162 2HH1 ARG 23 2HH1 ARG 23 -6.856 -14.316 0.558
163 1HH2 ARG 23 1HH2 ARG 23 -8.346 -11.142 0.684
164 2HH2 ARG 23 2HH2 ARG 23 -8.451 -12.747 0.037
165 H SER 24 H SER 24 -3.169 -9.802 -2.193
166 HA SER 24 HA SER 24 -2.486 -7.095 -2.631
167 1HB SER 24 1HB SER 24 -4.364 -7.780 -4.528
168 2HB SER 24 2HB SER 24 -2.632 -8.077 -4.652
169 HG SER 24 HG SER 24 -4.413 -9.882 -4.767
170 H ASP 25 H ASP 25 -5.273 -8.778 -1.439
171 HA ASP 25 HA ASP 25 -7.214 -6.755 -1.636
172 1HB ASP 25 1HB ASP 25 -8.355 -8.557 -0.957
173 2HB ASP 25 2HB ASP 25 -6.892 -9.349 -0.416
174 H HIS 26 H HIS 26 -4.817 -7.552 0.832
175 HA HIS 26 HA HIS 26 -5.606 -5.514 2.660
176 1HB HIS 26 1HB HIS 26 -3.461 -7.508 2.468
177 2HB HIS 26 2HB HIS 26 -2.979 -6.012 3.264
178 HD1 HIS 26 HD1 HIS 26 -3.055 -6.490 5.694
179 HD2 HIS 26 HD2 HIS 26 -6.378 -7.995 3.685
180 HE1 HIS 26 HE1 HIS 26 -4.561 -7.423 7.479
181 HE2 HIS 26 HE2 HIS 26 -6.635 -8.166 6.258
182 H LEU 27 H LEU 27 -3.347 -5.720 -0.004
183 HA LEU 27 HA LEU 27 -1.985 -3.280 0.298
184 1HB LEU 27 1HB LEU 27 -1.567 -5.116 -1.422
185 2HB LEU 27 2HB LEU 27 -2.913 -4.451 -2.323
186 HG LEU 27 HG LEU 27 -1.716 -2.726 -3.119
187 1HD1 LEU 27 1HD1 LEU 27 -0.220 -1.349 -1.935
188 2HD1 LEU 27 2HD1 LEU 27 -1.486 -1.784 -0.786
189 3HD1 LEU 27 3HD1 LEU 27 0.083 -2.589 -0.716
190 1HD2 LEU 27 1HD2 LEU 27 -0.376 -4.629 -3.735
191 2HD2 LEU 27 2HD2 LEU 27 0.666 -3.241 -3.424
192 3HD2 LEU 27 3HD2 LEU 27 0.526 -4.524 -2.223
193 H ALA 28 H ALA 28 -4.833 -4.034 -1.684
194 HA ALA 28 HA ALA 28 -5.492 -1.462 -2.454
195 1HB ALA 28 1HB ALA 28 -6.463 -3.835 -3.089
196 2HB ALA 28 2HB ALA 28 -7.710 -3.366 -1.934
197 3HB ALA 28 3HB ALA 28 -7.389 -2.356 -3.344
198 H LEU 29 H LEU 29 -6.356 -3.172 0.515
199 HA LEU 29 HA LEU 29 -8.273 -1.391 1.502
200 1HB LEU 29 1HB LEU 29 -6.278 -3.100 2.973
201 2HB LEU 29 2HB LEU 29 -7.579 -2.223 3.753
202 HG LEU 29 HG LEU 29 -7.960 -4.387 1.687
203 1HD1 LEU 29 1HD1 LEU 29 -7.645 -4.445 4.606
204 2HD1 LEU 29 2HD1 LEU 29 -9.019 -5.352 3.973
205 3HD1 LEU 29 3HD1 LEU 29 -7.389 -5.711 3.406
206 1HD2 LEU 29 1HD2 LEU 29 -9.695 -2.471 2.049
207 2HD2 LEU 29 2HD2 LEU 29 -10.233 -4.147 1.947
208 3HD2 LEU 29 3HD2 LEU 29 -10.081 -3.364 3.520
209 H HIS 30 H HIS 30 -4.754 -1.362 1.770
210 HA HIS 30 HA HIS 30 -4.698 1.050 3.338
211 1HB HIS 30 1HB HIS 30 -2.765 -0.175 3.707
212 2HB HIS 30 2HB HIS 30 -2.658 -0.713 2.038
213 HD1 HIS 30 HD1 HIS 30 -2.000 2.405 4.120
214 HD2 HIS 30 HD2 HIS 30 -0.944 0.688 0.476
215 HE1 HIS 30 HE1 HIS 30 -0.219 3.894 3.109
216 H ARG 31 H ARG 31 -4.496 0.178 -0.042
217 HA ARG 31 HA ARG 31 -3.546 2.720 -0.878
218 1HB ARG 31 1HB ARG 31 -4.566 0.308 -2.353
219 2HB ARG 31 2HB ARG 31 -4.116 1.784 -3.198
220 1HG ARG 31 1HG ARG 31 -1.895 1.544 -1.867
221 2HG ARG 31 2HG ARG 31 -2.401 -0.136 -1.695
222 1HD ARG 31 1HD ARG 31 -1.007 -0.016 -3.610
223 2HD ARG 31 2HD ARG 31 -2.664 -0.212 -4.186
224 HE ARG 31 HE ARG 31 -1.162 2.333 -4.204
225 1HH1 ARG 31 1HH1 ARG 31 -3.644 0.220 -5.525
226 2HH1 ARG 31 2HH1 ARG 31 -3.971 1.268 -6.880
227 1HH2 ARG 31 1HH2 ARG 31 -1.588 3.681 -5.969
228 2HH2 ARG 31 2HH2 ARG 31 -2.774 3.219 -7.152
229 H LYS 32 H LYS 32 -6.502 2.013 0.271
230 HA LYS 32 HA LYS 32 -8.340 3.054 -1.552
231 1HB LYS 32 1HB LYS 32 -8.248 2.560 1.328
232 2HB LYS 32 2HB LYS 32 -9.281 3.914 0.891
233 1HG LYS 32 1HG LYS 32 -10.869 2.412 0.508
234 2HG LYS 32 2HG LYS 32 -9.957 1.959 -0.936
235 1HD LYS 32 1HD LYS 32 -8.743 0.278 0.330
236 2HD LYS 32 2HD LYS 32 -9.591 0.757 1.804
237 1HE LYS 32 1HE LYS 32 -11.246 0.008 -0.533
238 2HE LYS 32 2HE LYS 32 -10.382 -1.289 0.294
239 1HZ LYS 32 1HZ LYS 32 -12.516 0.464 1.305
240 2HZ LYS 32 2HZ LYS 32 -11.391 -0.181 2.399
241 3HZ LYS 32 3HZ LYS 32 -12.345 -1.220 1.449
242 H ARG 33 H ARG 33 -6.318 4.673 0.836
243 HA ARG 33 HA ARG 33 -7.361 7.268 0.358
244 1HB ARG 33 1HB ARG 33 -5.512 6.066 2.150
245 2HB ARG 33 2HB ARG 33 -4.696 7.417 1.374
246 1HG ARG 33 1HG ARG 33 -6.329 8.955 2.144
247 2HG ARG 33 2HG ARG 33 -7.392 7.651 2.680
248 1HD ARG 33 1HD ARG 33 -4.723 7.533 3.852
249 2HD ARG 33 2HD ARG 33 -5.599 9.009 4.253
250 HE ARG 33 HE ARG 33 -7.461 7.250 4.831
251 1HH1 ARG 33 1HH1 ARG 33 -4.017 7.067 5.501
252 2HH1 ARG 33 2HH1 ARG 33 -4.231 6.086 6.921
253 1HH2 ARG 33 1HH2 ARG 33 -7.726 5.944 6.673
254 2HH2 ARG 33 2HH2 ARG 33 -6.334 5.410 7.568
255 H HIS 34 H HIS 34 -5.267 5.305 -1.388
256 HA HIS 34 HA HIS 34 -3.784 7.466 -2.632
257 1HB HIS 34 1HB HIS 34 -3.856 4.483 -3.102
258 2HB HIS 34 2HB HIS 34 -2.903 5.586 -4.090
259 HD1 HIS 34 HD1 HIS 34 -1.457 7.312 -2.153
260 HD2 HIS 34 HD2 HIS 34 -2.165 3.283 -1.427
261 HE1 HIS 34 HE1 HIS 34 0.239 6.588 -0.424
262 H MET 35 H MET 35 -6.797 6.082 -2.932
263 HA MET 35 HA MET 35 -7.039 6.637 -5.798
264 1HB MET 35 1HB MET 35 -9.105 5.519 -3.893
265 2HB MET 35 2HB MET 35 -9.229 5.594 -5.644
266 1HG MET 35 1HG MET 35 -7.696 3.899 -5.957
267 2HG MET 35 2HG MET 35 -6.987 4.107 -4.358
268 1HE MET 35 1HE MET 35 -7.241 1.478 -5.246
269 2HE MET 35 2HE MET 35 -7.250 1.352 -3.487
270 3HE MET 35 3HE MET 35 -8.448 0.476 -4.439
271 H LEU 36 H LEU 36 -7.068 8.343 -3.071
272 HA LEU 36 HA LEU 36 -9.221 10.151 -3.936
273 1HB LEU 36 1HB LEU 36 -7.876 10.139 -1.236
274 2HB LEU 36 2HB LEU 36 -9.329 11.000 -1.701
275 HG LEU 36 HG LEU 36 -9.429 8.046 -1.914
276 1HD1 LEU 36 1HD1 LEU 36 -8.209 8.438 0.205
277 2HD1 LEU 36 2HD1 LEU 36 -9.554 9.438 0.755
278 3HD1 LEU 36 3HD1 LEU 36 -9.803 7.724 0.435
279 1HD2 LEU 36 1HD2 LEU 36 -11.521 8.734 -2.287
280 2HD2 LEU 36 2HD2 LEU 36 -11.614 8.958 -0.539
281 3HD2 LEU 36 3HD2 LEU 36 -11.220 10.324 -1.582
282 H VAL 37 H VAL 37 -7.551 10.683 -5.569
283 HA VAL 37 HA VAL 37 -5.143 11.937 -4.741
284 HB VAL 37 HB VAL 37 -5.085 12.711 -7.201
285 1HG1 VAL 37 1HG1 VAL 37 -5.159 9.788 -6.477
286 2HG1 VAL 37 2HG1 VAL 37 -4.475 10.438 -7.968
287 3HG1 VAL 37 3HG1 VAL 37 -3.764 10.866 -6.409
288 1HG2 VAL 37 1HG2 VAL 37 -7.251 10.651 -7.535
289 2HG2 VAL 37 2HG2 VAL 37 -7.599 12.378 -7.448
290 3HG2 VAL 37 3HG2 VAL 37 -6.580 11.747 -8.744
Start of MODEL 14
1 1H GLY 1 1H GLY 1 9.366 5.832 -2.871
2 2H GLY 1 2H GLY 1 8.102 6.064 -1.767
3 3H GLY 1 3H GLY 1 8.072 6.856 -3.269
4 1HA GLY 1 1HA GLY 1 6.627 4.767 -2.924
5 2HA GLY 1 2HA GLY 1 7.499 4.989 -4.435
6 H SER 2 H SER 2 7.667 2.804 -4.896
7 HA SER 2 HA SER 2 8.660 0.907 -3.013
8 1HB SER 2 1HB SER 2 9.004 -0.083 -5.641
9 2HB SER 2 2HB SER 2 7.689 -0.439 -4.519
10 HG SER 2 HG SER 2 7.486 0.802 -6.798
11 H THR 3 H THR 3 10.653 -0.151 -3.008
12 HA THR 3 HA THR 3 12.839 1.255 -4.402
13 HB THR 3 HB THR 3 13.440 -0.004 -1.797
14 HG1 THR 3 HG1 THR 3 11.401 0.994 -1.379
15 1HG2 THR 3 1HG2 THR 3 14.088 2.818 -2.328
16 2HG2 THR 3 2HG2 THR 3 14.774 1.660 -3.467
17 3HG2 THR 3 3HG2 THR 3 15.112 1.506 -1.741
18 H ARG 4 H ARG 4 14.877 -0.096 -4.492
19 HA ARG 4 HA ARG 4 14.167 -2.865 -5.146
20 1HB ARG 4 1HB ARG 4 16.301 -0.983 -6.023
21 2HB ARG 4 2HB ARG 4 16.675 -2.701 -6.027
22 1HG ARG 4 1HG ARG 4 15.639 -2.931 -7.963
23 2HG ARG 4 2HG ARG 4 14.136 -2.360 -7.234
24 1HD ARG 4 1HD ARG 4 16.030 -0.218 -7.808
25 2HD ARG 4 2HD ARG 4 15.527 -1.106 -9.245
26 HE ARG 4 HE ARG 4 13.889 0.613 -7.579
27 1HH1 ARG 4 1HH1 ARG 4 13.913 -1.937 -10.000
28 2HH1 ARG 4 2HH1 ARG 4 12.328 -1.542 -10.609
29 1HH2 ARG 4 1HH2 ARG 4 11.815 1.136 -8.388
30 2HH2 ARG 4 2HH2 ARG 4 11.152 0.217 -9.704
31 H GLY 5 H GLY 5 16.558 -4.149 -4.904
32 1HA GLY 5 1HA GLY 5 18.092 -5.048 -3.454
33 2HA GLY 5 2HA GLY 5 17.935 -3.595 -2.480
34 H SER 6 H SER 6 16.747 -3.634 -0.658
35 HA SER 6 HA SER 6 15.284 -6.106 -0.017
36 1HB SER 6 1HB SER 6 16.396 -5.196 2.385
37 2HB SER 6 2HB SER 6 16.913 -6.604 1.458
38 HG SER 6 HG SER 6 17.860 -3.971 0.944
39 H THR 7 H THR 7 15.076 -2.969 -0.501
40 HA THR 7 HA THR 7 13.200 -2.317 1.634
41 HB THR 7 HB THR 7 13.193 -0.219 -0.201
42 HG1 THR 7 HG1 THR 7 15.014 -1.090 -1.265
43 1HG2 THR 7 1HG2 THR 7 14.484 -0.745 2.437
44 2HG2 THR 7 2HG2 THR 7 13.206 0.398 2.015
45 3HG2 THR 7 3HG2 THR 7 14.880 0.741 1.572
46 H GLY 8 H GLY 8 11.308 -3.334 1.306
47 1HA GLY 8 1HA GLY 8 9.220 -3.094 -0.056
48 2HA GLY 8 2HA GLY 8 10.255 -3.425 -1.437
49 H ILE 9 H ILE 9 9.424 -4.844 1.721
50 HA ILE 9 HA ILE 9 9.943 -7.535 0.801
51 HB ILE 9 HB ILE 9 8.395 -6.934 3.286
52 1HG1 ILE 9 1HG1 ILE 9 11.395 -6.702 3.232
53 2HG1 ILE 9 2HG1 ILE 9 10.353 -5.296 3.047
54 1HG2 ILE 9 1HG2 ILE 9 10.327 -9.017 2.360
55 2HG2 ILE 9 2HG2 ILE 9 10.108 -8.737 4.088
56 3HG2 ILE 9 3HG2 ILE 9 8.732 -9.209 3.090
57 1HD1 ILE 9 1HD1 ILE 9 11.106 -5.542 5.339
58 2HD1 ILE 9 2HD1 ILE 9 9.357 -5.748 5.226
59 3HD1 ILE 9 3HD1 ILE 9 10.402 -7.156 5.411
60 H LYS 10 H LYS 10 8.092 -9.181 1.326
61 HA LYS 10 HA LYS 10 6.085 -10.066 1.000
62 1HB LYS 10 1HB LYS 10 5.465 -7.307 1.774
63 2HB LYS 10 2HB LYS 10 4.184 -8.117 0.881
64 1HG LYS 10 1HG LYS 10 3.597 -9.280 2.669
65 2HG LYS 10 2HG LYS 10 5.245 -9.870 2.887
66 1HD LYS 10 1HD LYS 10 5.750 -7.625 3.952
67 2HD LYS 10 2HD LYS 10 4.008 -7.353 3.976
68 1HE LYS 10 1HE LYS 10 5.262 -9.810 5.168
69 2HE LYS 10 2HE LYS 10 5.080 -8.315 6.085
70 1HZ LYS 10 1HZ LYS 10 2.650 -8.443 5.501
71 2HZ LYS 10 2HZ LYS 10 3.209 -9.633 6.571
72 3HZ LYS 10 3HZ LYS 10 2.936 -10.021 4.943
73 HA PRO 11 HA PRO 11 5.470 -10.313 -3.297
74 1HB PRO 11 1HB PRO 11 2.702 -11.134 -2.649
75 2HB PRO 11 2HB PRO 11 3.959 -12.003 -3.536
76 1HG PRO 11 1HG PRO 11 3.283 -12.707 -1.058
77 2HG PRO 11 2HG PRO 11 4.963 -12.786 -1.607
78 1HD PRO 11 1HD PRO 11 3.642 -10.751 0.146
79 2HD PRO 11 2HD PRO 11 5.256 -11.443 0.249
80 H PHE 12 H PHE 12 3.027 -8.713 -1.344
81 HA PHE 12 HA PHE 12 2.263 -7.108 -3.688
82 1HB PHE 12 1HB PHE 12 0.601 -7.910 -1.300
83 2HB PHE 12 2HB PHE 12 0.068 -6.802 -2.560
84 HD1 PHE 12 HD1 PHE 12 -0.067 -10.097 -1.485
85 HD2 PHE 12 HD2 PHE 12 0.389 -7.785 -5.026
86 HE1 PHE 12 HE1 PHE 12 -0.850 -12.005 -2.829
87 HE2 PHE 12 HE2 PHE 12 -0.401 -9.683 -6.374
88 HZ PHE 12 HZ PHE 12 -1.019 -11.800 -5.275
89 H GLN 13 H GLN 13 3.914 -5.647 -3.257
90 HA GLN 13 HA GLN 13 4.031 -4.162 -0.792
91 1HB GLN 13 1HB GLN 13 5.701 -4.760 -2.935
92 2HB GLN 13 2HB GLN 13 5.407 -3.036 -3.070
93 1HG GLN 13 1HG GLN 13 5.973 -3.186 -0.476
94 2HG GLN 13 2HG GLN 13 6.900 -4.560 -1.070
95 1HE2 GLN 13 1HE2 GLN 13 7.459 -1.700 -0.128
96 2HE2 GLN 13 2HE2 GLN 13 8.613 -1.119 -1.286
97 H CYS 14 H CYS 14 3.670 -1.885 -0.644
98 HA CYS 14 HA CYS 14 1.731 -0.810 -2.535
99 1HB CYS 14 1HB CYS 14 1.524 -0.141 -0.130
100 2HB CYS 14 2HB CYS 14 3.063 0.713 -0.290
101 HA PRO 15 HA PRO 15 5.213 0.588 -4.980
102 1HB PRO 15 1HB PRO 15 3.762 1.577 -7.029
103 2HB PRO 15 2HB PRO 15 4.019 -0.158 -6.810
104 1HG PRO 15 1HG PRO 15 1.633 1.505 -6.119
105 2HG PRO 15 2HG PRO 15 1.702 -0.114 -6.836
106 1HD PRO 15 1HD PRO 15 1.207 0.357 -4.187
107 2HD PRO 15 2HD PRO 15 1.942 -1.137 -4.803
108 H ASP 16 H ASP 16 2.906 2.273 -3.262
109 HA ASP 16 HA ASP 16 3.806 4.900 -4.199
110 1HB ASP 16 1HB ASP 16 1.340 3.805 -3.034
111 2HB ASP 16 2HB ASP 16 1.810 5.367 -2.392
112 H CYS 17 H CYS 17 4.118 2.687 -1.603
113 HA CYS 17 HA CYS 17 5.102 4.842 0.138
114 1HB CYS 17 1HB CYS 17 3.535 2.373 0.807
115 2HB CYS 17 2HB CYS 17 4.312 3.379 2.024
116 H ASP 18 H ASP 18 5.639 1.546 -0.883
117 HA ASP 18 HA ASP 18 7.486 0.136 -0.621
118 1HB ASP 18 1HB ASP 18 8.792 2.408 0.017
119 2HB ASP 18 2HB ASP 18 8.732 1.645 1.603
120 H ARG 19 H ARG 19 4.955 0.774 0.906
121 HA ARG 19 HA ARG 19 5.230 -0.669 3.390
122 1HB ARG 19 1HB ARG 19 3.094 0.657 1.901
123 2HB ARG 19 2HB ARG 19 2.586 -0.892 2.565
124 1HG ARG 19 1HG ARG 19 2.908 -0.208 4.752
125 2HG ARG 19 2HG ARG 19 4.004 1.089 4.283
126 1HD ARG 19 1HD ARG 19 2.037 2.196 4.863
127 2HD ARG 19 2HD ARG 19 1.986 2.118 3.100
128 HE ARG 19 HE ARG 19 0.209 0.656 3.218
129 1HH1 ARG 19 1HH1 ARG 19 1.527 1.246 6.428
130 2HH1 ARG 19 2HH1 ARG 19 0.222 0.441 7.253
131 1HH2 ARG 19 1HH2 ARG 19 -1.527 -0.373 4.331
132 2HH2 ARG 19 2HH2 ARG 19 -1.511 -0.480 6.064
133 H SER 20 H SER 20 3.948 -2.813 3.562
134 HA SER 20 HA SER 20 4.204 -4.353 1.084
135 1HB SER 20 1HB SER 20 5.399 -6.027 2.928
136 2HB SER 20 2HB SER 20 6.237 -5.076 1.700
137 HG SER 20 HG SER 20 7.018 -3.850 3.215
138 H PHE 21 H PHE 21 2.775 -5.949 0.853
139 HA PHE 21 HA PHE 21 1.330 -6.892 3.235
140 1HB PHE 21 1HB PHE 21 -0.015 -6.229 0.610
141 2HB PHE 21 2HB PHE 21 -0.793 -6.702 2.119
142 HD1 PHE 21 HD1 PHE 21 0.957 -4.003 0.356
143 HD2 PHE 21 HD2 PHE 21 -1.133 -5.136 3.884
144 HE1 PHE 21 HE1 PHE 21 0.820 -1.644 1.024
145 HE2 PHE 21 HE2 PHE 21 -1.279 -2.776 4.555
146 HZ PHE 21 HZ PHE 21 -0.289 -1.033 3.130
147 H SER 22 H SER 22 0.598 -9.004 3.147
148 HA SER 22 HA SER 22 1.963 -10.677 1.205
149 1HB SER 22 1HB SER 22 0.218 -12.043 3.098
150 2HB SER 22 2HB SER 22 1.961 -12.183 2.875
151 HG SER 22 HG SER 22 0.725 -11.066 4.884
152 H ARG 23 H ARG 23 -1.083 -9.273 1.780
153 HA ARG 23 HA ARG 23 -2.360 -10.962 -0.266
154 1HB ARG 23 1HB ARG 23 -3.443 -9.614 2.184
155 2HB ARG 23 2HB ARG 23 -4.500 -9.981 0.833
156 1HG ARG 23 1HG ARG 23 -3.060 -12.330 1.352
157 2HG ARG 23 2HG ARG 23 -3.569 -11.690 2.922
158 1HD ARG 23 1HD ARG 23 -5.369 -12.087 0.544
159 2HD ARG 23 2HD ARG 23 -5.232 -13.214 1.895
160 HE ARG 23 HE ARG 23 -6.097 -10.419 2.302
161 1HH1 ARG 23 1HH1 ARG 23 -6.655 -13.865 2.625
162 2HH1 ARG 23 2HH1 ARG 23 -8.050 -13.666 3.641
163 1HH2 ARG 23 1HH2 ARG 23 -7.894 -10.155 3.648
164 2HH2 ARG 23 2HH2 ARG 23 -8.749 -11.547 4.241
165 H SER 24 H SER 24 -3.256 -9.992 -1.994
166 HA SER 24 HA SER 24 -2.617 -7.283 -2.631
167 1HB SER 24 1HB SER 24 -3.428 -9.528 -4.053
168 2HB SER 24 2HB SER 24 -4.813 -8.444 -4.163
169 HG SER 24 HG SER 24 -3.400 -7.998 -5.849
170 H ASP 25 H ASP 25 -5.242 -8.915 -1.104
171 HA ASP 25 HA ASP 25 -7.266 -6.993 -1.387
172 1HB ASP 25 1HB ASP 25 -8.353 -8.675 -0.403
173 2HB ASP 25 2HB ASP 25 -6.844 -9.473 -0.042
174 H HIS 26 H HIS 26 -4.894 -7.509 1.176
175 HA HIS 26 HA HIS 26 -5.663 -5.292 2.745
176 1HB HIS 26 1HB HIS 26 -3.474 -7.237 2.735
177 2HB HIS 26 2HB HIS 26 -2.997 -5.651 3.332
178 HD1 HIS 26 HD1 HIS 26 -2.944 -5.932 5.808
179 HD2 HIS 26 HD2 HIS 26 -6.384 -7.543 4.105
180 HE1 HIS 26 HE1 HIS 26 -4.393 -6.638 7.737
181 HE2 HIS 26 HE2 HIS 26 -6.474 -7.600 6.693
182 H LEU 27 H LEU 27 -3.452 -5.682 0.069
183 HA LEU 27 HA LEU 27 -2.133 -3.206 0.117
184 1HB LEU 27 1HB LEU 27 -1.711 -5.191 -1.432
185 2HB LEU 27 2HB LEU 27 -3.076 -4.625 -2.374
186 HG LEU 27 HG LEU 27 -1.896 -2.980 -3.349
187 1HD1 LEU 27 1HD1 LEU 27 -0.984 -1.305 -2.226
188 2HD1 LEU 27 2HD1 LEU 27 -1.390 -2.191 -0.754
189 3HD1 LEU 27 3HD1 LEU 27 0.215 -2.360 -1.470
190 1HD2 LEU 27 1HD2 LEU 27 -0.529 -4.802 -3.901
191 2HD2 LEU 27 2HD2 LEU 27 0.563 -3.486 -3.478
192 3HD2 LEU 27 3HD2 LEU 27 0.264 -4.789 -2.326
193 H ALA 28 H ALA 28 -4.979 -4.141 -1.830
194 HA ALA 28 HA ALA 28 -5.591 -1.602 -2.771
195 1HB ALA 28 1HB ALA 28 -7.510 -2.524 -3.635
196 2HB ALA 28 2HB ALA 28 -6.537 -3.969 -3.363
197 3HB ALA 28 3HB ALA 28 -7.800 -3.528 -2.215
198 H LEU 29 H LEU 29 -6.611 -3.176 0.235
199 HA LEU 29 HA LEU 29 -8.535 -1.348 1.091
200 1HB LEU 29 1HB LEU 29 -6.604 -3.078 2.602
201 2HB LEU 29 2HB LEU 29 -7.763 -2.046 3.413
202 HG LEU 29 HG LEU 29 -8.490 -4.246 1.483
203 1HD1 LEU 29 1HD1 LEU 29 -9.389 -5.288 3.625
204 2HD1 LEU 29 2HD1 LEU 29 -7.641 -5.325 3.378
205 3HD1 LEU 29 3HD1 LEU 29 -8.352 -4.142 4.478
206 1HD2 LEU 29 1HD2 LEU 29 -10.760 -3.877 2.267
207 2HD2 LEU 29 2HD2 LEU 29 -10.203 -2.569 3.312
208 3HD2 LEU 29 3HD2 LEU 29 -10.102 -2.402 1.559
209 H HIS 30 H HIS 30 -5.040 -1.399 1.717
210 HA HIS 30 HA HIS 30 -5.016 1.052 3.149
211 1HB HIS 30 1HB HIS 30 -3.120 -0.182 3.607
212 2HB HIS 30 2HB HIS 30 -2.945 -0.738 1.948
213 HD1 HIS 30 HD1 HIS 30 -2.550 2.558 3.847
214 HD2 HIS 30 HD2 HIS 30 -0.950 0.455 0.636
215 HE1 HIS 30 HE1 HIS 30 -0.650 3.966 2.943
216 H ARG 31 H ARG 31 -4.630 0.206 -0.244
217 HA ARG 31 HA ARG 31 -3.639 2.746 -1.016
218 1HB ARG 31 1HB ARG 31 -4.770 0.442 -2.591
219 2HB ARG 31 2HB ARG 31 -4.179 1.913 -3.352
220 1HG ARG 31 1HG ARG 31 -2.045 1.399 -1.891
221 2HG ARG 31 2HG ARG 31 -2.678 -0.244 -1.965
222 1HD ARG 31 1HD ARG 31 -1.223 -0.102 -3.786
223 2HD ARG 31 2HD ARG 31 -2.830 0.123 -4.490
224 HE ARG 31 HE ARG 31 -0.868 2.269 -3.987
225 1HH1 ARG 31 1HH1 ARG 31 -3.580 0.951 -5.761
226 2HH1 ARG 31 2HH1 ARG 31 -3.685 2.298 -6.859
227 1HH2 ARG 31 1HH2 ARG 31 -1.011 4.065 -5.414
228 2HH2 ARG 31 2HH2 ARG 31 -2.253 4.074 -6.640
229 H LYS 32 H LYS 32 -6.628 1.975 0.050
230 HA LYS 32 HA LYS 32 -8.347 3.393 -1.700
231 1HB LYS 32 1HB LYS 32 -8.516 2.144 0.898
232 2HB LYS 32 2HB LYS 32 -9.330 3.703 0.911
233 1HG LYS 32 1HG LYS 32 -10.834 1.844 0.357
234 2HG LYS 32 2HG LYS 32 -10.726 3.042 -0.935
235 1HD LYS 32 1HD LYS 32 -9.851 1.566 -2.380
236 2HD LYS 32 2HD LYS 32 -8.753 0.900 -1.166
237 1HE LYS 32 1HE LYS 32 -10.036 -0.921 -1.232
238 2HE LYS 32 2HE LYS 32 -11.211 0.025 -0.319
239 1HZ LYS 32 1HZ LYS 32 -12.593 -0.294 -2.011
240 2HZ LYS 32 2HZ LYS 32 -11.375 -0.955 -2.988
241 3HZ LYS 32 3HZ LYS 32 -11.612 0.724 -2.946
242 H ARG 33 H ARG 33 -6.095 4.330 0.761
243 HA ARG 33 HA ARG 33 -7.057 7.041 0.976
244 1HB ARG 33 1HB ARG 33 -4.531 5.716 1.969
245 2HB ARG 33 2HB ARG 33 -4.985 7.378 2.323
246 1HG ARG 33 1HG ARG 33 -6.942 6.633 3.516
247 2HG ARG 33 2HG ARG 33 -6.606 4.956 3.080
248 1HD ARG 33 1HD ARG 33 -5.844 6.132 5.404
249 2HD ARG 33 2HD ARG 33 -5.056 4.727 4.690
250 HE ARG 33 HE ARG 33 -4.101 7.459 4.110
251 1HH1 ARG 33 1HH1 ARG 33 -3.552 4.220 5.336
252 2HH1 ARG 33 2HH1 ARG 33 -1.829 4.433 5.491
253 1HH2 ARG 33 1HH2 ARG 33 -1.832 7.726 4.276
254 2HH2 ARG 33 2HH2 ARG 33 -0.859 6.420 4.876
255 H HIS 34 H HIS 34 -5.356 5.373 -1.339
256 HA HIS 34 HA HIS 34 -3.694 7.657 -2.095
257 1HB HIS 34 1HB HIS 34 -3.829 4.814 -3.099
258 2HB HIS 34 2HB HIS 34 -2.846 6.058 -3.870
259 HD1 HIS 34 HD1 HIS 34 -1.622 7.431 -1.404
260 HD2 HIS 34 HD2 HIS 34 -2.002 3.301 -1.793
261 HE1 HIS 34 HE1 HIS 34 0.103 6.397 0.131
262 H MET 35 H MET 35 -6.763 6.722 -2.460
263 HA MET 35 HA MET 35 -7.130 7.580 -5.215
264 1HB MET 35 1HB MET 35 -9.099 6.888 -3.028
265 2HB MET 35 2HB MET 35 -9.563 7.384 -4.650
266 1HG MET 35 1HG MET 35 -7.793 5.327 -5.103
267 2HG MET 35 2HG MET 35 -8.673 4.801 -3.671
268 1HE MET 35 1HE MET 35 -10.134 2.687 -6.268
269 2HE MET 35 2HE MET 35 -9.256 3.708 -7.411
270 3HE MET 35 3HE MET 35 -8.497 3.226 -5.890
271 H LEU 36 H LEU 36 -6.770 8.834 -2.124
272 HA LEU 36 HA LEU 36 -7.525 11.510 -3.065
273 1HB LEU 36 1HB LEU 36 -7.679 10.491 -0.223
274 2HB LEU 36 2HB LEU 36 -7.988 12.140 -0.730
275 HG LEU 36 HG LEU 36 -9.608 9.879 -1.849
276 1HD1 LEU 36 1HD1 LEU 36 -9.950 11.248 0.803
277 2HD1 LEU 36 2HD1 LEU 36 -11.284 10.463 -0.043
278 3HD1 LEU 36 3HD1 LEU 36 -9.883 9.520 0.465
279 1HD2 LEU 36 1HD2 LEU 36 -10.154 12.810 -1.380
280 2HD2 LEU 36 2HD2 LEU 36 -9.787 12.049 -2.930
281 3HD2 LEU 36 3HD2 LEU 36 -11.287 11.653 -2.086
282 H VAL 37 H VAL 37 -5.194 10.695 -3.767
283 HA VAL 37 HA VAL 37 -3.143 10.929 -1.791
284 HB VAL 37 HB VAL 37 -2.864 9.468 -3.739
285 1HG1 VAL 37 1HG1 VAL 37 -2.146 11.007 -5.864
286 2HG1 VAL 37 2HG1 VAL 37 -3.721 10.241 -5.658
287 3HG1 VAL 37 3HG1 VAL 37 -3.493 11.928 -5.196
288 1HG2 VAL 37 1HG2 VAL 37 -0.598 10.209 -4.439
289 2HG2 VAL 37 2HG2 VAL 37 -0.886 11.739 -3.608
290 3HG2 VAL 37 3HG2 VAL 37 -0.842 10.231 -2.692
Start of MODEL 15
1 1H GLY 1 1H GLY 1 5.524 6.478 3.793
2 2H GLY 1 2H GLY 1 5.185 6.884 2.181
3 3H GLY 1 3H GLY 1 6.320 7.784 3.059
4 1HA GLY 1 1HA GLY 1 6.579 4.974 2.155
5 2HA GLY 1 2HA GLY 1 7.507 6.353 1.591
6 H SER 2 H SER 2 9.361 5.048 2.153
7 HA SER 2 HA SER 2 11.136 4.503 3.442
8 1HB SER 2 1HB SER 2 10.058 6.600 5.336
9 2HB SER 2 2HB SER 2 11.715 6.000 5.266
10 HG SER 2 HG SER 2 11.413 6.750 2.886
11 H THR 3 H THR 3 9.688 2.492 3.683
12 HA THR 3 HA THR 3 8.541 1.987 6.247
13 HB THR 3 HB THR 3 9.147 -0.448 4.916
14 HG1 THR 3 HG1 THR 3 8.192 0.133 2.835
15 1HG2 THR 3 1HG2 THR 3 7.012 -0.741 5.495
16 2HG2 THR 3 2HG2 THR 3 6.508 0.469 4.316
17 3HG2 THR 3 3HG2 THR 3 6.917 0.958 5.961
18 H ARG 4 H ARG 4 10.678 2.797 7.253
19 HA ARG 4 HA ARG 4 12.467 2.397 8.578
20 1HB ARG 4 1HB ARG 4 10.928 -0.099 8.620
21 2HB ARG 4 2HB ARG 4 12.619 -0.294 9.060
22 1HG ARG 4 1HG ARG 4 11.920 0.231 11.113
23 2HG ARG 4 2HG ARG 4 11.939 1.892 10.518
24 1HD ARG 4 1HD ARG 4 9.588 1.719 9.917
25 2HD ARG 4 2HD ARG 4 9.559 0.042 10.465
26 HE ARG 4 HE ARG 4 10.049 2.340 12.261
27 1HH1 ARG 4 1HH1 ARG 4 8.705 -0.828 11.601
28 2HH1 ARG 4 2HH1 ARG 4 7.900 -0.943 13.138
29 1HH2 ARG 4 1HH2 ARG 4 9.028 2.158 14.312
30 2HH2 ARG 4 2HH2 ARG 4 8.082 0.736 14.672
31 H GLY 5 H GLY 5 13.122 -0.831 7.650
32 1HA GLY 5 1HA GLY 5 15.352 0.154 5.977
33 2HA GLY 5 2HA GLY 5 15.479 -1.217 7.071
34 H SER 6 H SER 6 13.144 -2.561 6.496
35 HA SER 6 HA SER 6 13.810 -3.717 3.925
36 1HB SER 6 1HB SER 6 11.444 -4.574 5.552
37 2HB SER 6 2HB SER 6 12.552 -5.553 4.589
38 HG SER 6 HG SER 6 14.164 -4.774 6.282
39 H THR 7 H THR 7 13.277 -1.832 2.690
40 HA THR 7 HA THR 7 10.599 -0.833 2.681
41 HB THR 7 HB THR 7 11.885 0.209 0.446
42 HG1 THR 7 HG1 THR 7 13.971 0.791 1.692
43 1HG2 THR 7 1HG2 THR 7 10.750 1.156 2.737
44 2HG2 THR 7 2HG2 THR 7 11.576 2.159 1.540
45 3HG2 THR 7 3HG2 THR 7 12.442 1.599 2.973
46 H GLY 8 H GLY 8 9.617 -2.942 2.132
47 1HA GLY 8 1HA GLY 8 8.200 -3.274 0.073
48 2HA GLY 8 2HA GLY 8 9.729 -3.466 -0.770
49 H ILE 9 H ILE 9 8.331 -4.748 2.234
50 HA ILE 9 HA ILE 9 9.357 -7.409 1.711
51 HB ILE 9 HB ILE 9 7.314 -6.793 3.812
52 1HG1 ILE 9 1HG1 ILE 9 10.236 -6.341 4.332
53 2HG1 ILE 9 2HG1 ILE 9 9.217 -5.036 3.731
54 1HG2 ILE 9 1HG2 ILE 9 9.264 -8.893 3.249
55 2HG2 ILE 9 2HG2 ILE 9 9.273 -8.348 4.925
56 3HG2 ILE 9 3HG2 ILE 9 7.780 -8.948 4.204
57 1HD1 ILE 9 1HD1 ILE 9 7.695 -5.751 5.752
58 2HD1 ILE 9 2HD1 ILE 9 9.221 -6.378 6.376
59 3HD1 ILE 9 3HD1 ILE 9 9.069 -4.669 5.971
60 H LYS 10 H LYS 10 7.802 -9.290 1.735
61 HA LYS 10 HA LYS 10 6.016 -10.455 0.974
62 1HB LYS 10 1HB LYS 10 4.633 -7.862 1.644
63 2HB LYS 10 2HB LYS 10 3.768 -9.299 1.120
64 1HG LYS 10 1HG LYS 10 3.830 -10.162 3.161
65 2HG LYS 10 2HG LYS 10 5.578 -9.934 3.267
66 1HD LYS 10 1HD LYS 10 5.296 -7.674 4.022
67 2HD LYS 10 2HD LYS 10 3.558 -7.746 3.734
68 1HE LYS 10 1HE LYS 10 3.651 -9.740 5.417
69 2HE LYS 10 2HE LYS 10 5.177 -9.004 5.910
70 1HZ LYS 10 1HZ LYS 10 4.080 -7.021 6.520
71 2HZ LYS 10 2HZ LYS 10 3.136 -8.277 7.166
72 3HZ LYS 10 3HZ LYS 10 2.637 -7.484 5.757
73 HA PRO 11 HA PRO 11 5.846 -10.008 -3.352
74 1HB PRO 11 1HB PRO 11 3.454 -11.246 -3.915
75 2HB PRO 11 2HB PRO 11 4.967 -12.090 -3.571
76 1HG PRO 11 1HG PRO 11 2.682 -11.476 -1.740
77 2HG PRO 11 2HG PRO 11 3.622 -12.973 -1.890
78 1HD PRO 11 1HD PRO 11 4.077 -11.254 0.102
79 2HD PRO 11 2HD PRO 11 5.418 -12.101 -0.695
80 H PHE 12 H PHE 12 3.346 -8.600 -1.445
81 HA PHE 12 HA PHE 12 2.509 -6.960 -3.742
82 1HB PHE 12 1HB PHE 12 0.796 -7.831 -1.407
83 2HB PHE 12 2HB PHE 12 0.274 -6.812 -2.742
84 HD1 PHE 12 HD1 PHE 12 0.871 -7.985 -5.143
85 HD2 PHE 12 HD2 PHE 12 0.050 -9.977 -1.476
86 HE1 PHE 12 HE1 PHE 12 0.179 -9.987 -6.389
87 HE2 PHE 12 HE2 PHE 12 -0.646 -11.984 -2.717
88 HZ PHE 12 HZ PHE 12 -0.581 -11.990 -5.179
89 H GLN 13 H GLN 13 3.985 -5.315 -3.218
90 HA GLN 13 HA GLN 13 3.691 -4.042 -0.598
91 1HB GLN 13 1HB GLN 13 5.545 -3.369 -2.877
92 2HB GLN 13 2HB GLN 13 5.556 -2.632 -1.278
93 1HG GLN 13 1HG GLN 13 6.881 -4.184 -0.531
94 2HG GLN 13 2HG GLN 13 5.726 -5.429 -0.998
95 1HE2 GLN 13 1HE2 GLN 13 6.373 -6.822 -2.448
96 2HE2 GLN 13 2HE2 GLN 13 7.691 -6.626 -3.561
97 H CYS 14 H CYS 14 3.673 -1.666 -0.605
98 HA CYS 14 HA CYS 14 1.673 -0.603 -2.441
99 1HB CYS 14 1HB CYS 14 1.612 0.226 -0.118
100 2HB CYS 14 2HB CYS 14 3.239 0.882 -0.318
101 HA PRO 15 HA PRO 15 4.944 0.560 -5.206
102 1HB PRO 15 1HB PRO 15 3.429 1.842 -7.042
103 2HB PRO 15 2HB PRO 15 3.457 0.082 -6.895
104 1HG PRO 15 1HG PRO 15 1.432 2.037 -5.899
105 2HG PRO 15 2HG PRO 15 1.186 0.439 -6.627
106 1HD PRO 15 1HD PRO 15 1.083 0.929 -3.933
107 2HD PRO 15 2HD PRO 15 1.496 -0.644 -4.638
108 H ASP 16 H ASP 16 3.008 2.671 -3.353
109 HA ASP 16 HA ASP 16 4.516 5.021 -4.307
110 1HB ASP 16 1HB ASP 16 2.045 5.237 -4.290
111 2HB ASP 16 2HB ASP 16 2.050 4.945 -2.554
112 H CYS 17 H CYS 17 3.654 3.190 -1.434
113 HA CYS 17 HA CYS 17 5.336 4.916 0.189
114 1HB CYS 17 1HB CYS 17 3.568 2.623 1.034
115 2HB CYS 17 2HB CYS 17 4.381 3.753 2.113
116 H ASP 18 H ASP 18 5.263 1.683 -1.052
117 HA ASP 18 HA ASP 18 6.849 0.038 -1.140
118 1HB ASP 18 1HB ASP 18 8.475 2.230 -0.152
119 2HB ASP 18 2HB ASP 18 8.934 0.693 0.579
120 H ARG 19 H ARG 19 4.702 0.417 0.676
121 HA ARG 19 HA ARG 19 5.417 -0.698 3.223
122 1HB ARG 19 1HB ARG 19 2.958 0.142 1.844
123 2HB ARG 19 2HB ARG 19 2.750 -1.261 2.886
124 1HG ARG 19 1HG ARG 19 3.029 -0.071 4.771
125 2HG ARG 19 2HG ARG 19 4.255 0.976 4.057
126 1HD ARG 19 1HD ARG 19 2.495 2.434 4.371
127 2HD ARG 19 2HD ARG 19 2.272 1.940 2.693
128 HE ARG 19 HE ARG 19 0.318 0.894 3.282
129 1HH1 ARG 19 1HH1 ARG 19 2.102 1.775 6.168
130 2HH1 ARG 19 2HH1 ARG 19 0.833 1.306 7.255
131 1HH2 ARG 19 1HH2 ARG 19 -1.374 0.293 4.733
132 2HH2 ARG 19 2HH2 ARG 19 -1.146 0.481 6.445
133 H SER 20 H SER 20 3.666 -2.835 3.568
134 HA SER 20 HA SER 20 4.318 -4.703 1.423
135 1HB SER 20 1HB SER 20 5.198 -6.178 3.483
136 2HB SER 20 2HB SER 20 6.249 -5.146 2.508
137 HG SER 20 HG SER 20 5.185 -3.617 4.387
138 H PHE 21 H PHE 21 2.713 -6.001 1.047
139 HA PHE 21 HA PHE 21 1.004 -6.887 3.273
140 1HB PHE 21 1HB PHE 21 -0.136 -6.210 0.566
141 2HB PHE 21 2HB PHE 21 -0.988 -6.428 2.091
142 HD1 PHE 21 HD1 PHE 21 -1.333 -4.617 3.568
143 HD2 PHE 21 HD2 PHE 21 1.227 -4.146 0.203
144 HE1 PHE 21 HE1 PHE 21 -1.272 -2.187 3.955
145 HE2 PHE 21 HE2 PHE 21 1.287 -1.720 0.582
146 HZ PHE 21 HZ PHE 21 0.040 -0.741 2.460
147 H SER 22 H SER 22 0.581 -9.030 3.253
148 HA SER 22 HA SER 22 1.835 -10.671 1.263
149 1HB SER 22 1HB SER 22 -0.007 -11.871 3.266
150 2HB SER 22 2HB SER 22 1.609 -12.365 2.778
151 HG SER 22 HG SER 22 2.372 -11.331 4.419
152 H ARG 23 H ARG 23 -1.316 -9.443 1.903
153 HA ARG 23 HA ARG 23 -2.422 -11.034 -0.330
154 1HB ARG 23 1HB ARG 23 -3.926 -9.772 1.980
155 2HB ARG 23 2HB ARG 23 -4.645 -10.674 0.654
156 1HG ARG 23 1HG ARG 23 -3.038 -12.567 1.493
157 2HG ARG 23 2HG ARG 23 -3.094 -11.642 2.997
158 1HD ARG 23 1HD ARG 23 -5.120 -13.345 1.760
159 2HD ARG 23 2HD ARG 23 -4.922 -12.851 3.438
160 HE ARG 23 HE ARG 23 -5.996 -10.680 2.681
161 1HH1 ARG 23 1HH1 ARG 23 -6.693 -13.789 1.218
162 2HH1 ARG 23 2HH1 ARG 23 -8.281 -13.324 0.681
163 1HH2 ARG 23 1HH2 ARG 23 -8.078 -10.065 1.980
164 2HH2 ARG 23 2HH2 ARG 23 -9.076 -11.203 1.126
165 H SER 24 H SER 24 -3.133 -10.047 -1.999
166 HA SER 24 HA SER 24 -2.458 -7.384 -2.488
167 1HB SER 24 1HB SER 24 -4.356 -8.173 -4.389
168 2HB SER 24 2HB SER 24 -2.605 -8.304 -4.512
169 HG SER 24 HG SER 24 -3.578 -10.320 -4.835
170 H ASP 25 H ASP 25 -5.246 -8.829 -1.107
171 HA ASP 25 HA ASP 25 -7.144 -6.756 -1.533
172 1HB ASP 25 1HB ASP 25 -8.061 -8.773 -0.768
173 2HB ASP 25 2HB ASP 25 -6.844 -8.970 0.479
174 H HIS 26 H HIS 26 -4.861 -7.485 1.063
175 HA HIS 26 HA HIS 26 -5.408 -5.285 2.712
176 1HB HIS 26 1HB HIS 26 -3.380 -7.338 2.557
177 2HB HIS 26 2HB HIS 26 -2.667 -5.784 2.986
178 HD1 HIS 26 HD1 HIS 26 -2.562 -5.497 5.449
179 HD2 HIS 26 HD2 HIS 26 -5.911 -7.643 4.253
180 HE1 HIS 26 HE1 HIS 26 -3.794 -6.046 7.566
181 HE2 HIS 26 HE2 HIS 26 -5.935 -7.132 6.796
182 H LEU 27 H LEU 27 -3.356 -5.626 -0.117
183 HA LEU 27 HA LEU 27 -1.967 -3.190 -0.027
184 1HB LEU 27 1HB LEU 27 -1.687 -5.098 -1.692
185 2HB LEU 27 2HB LEU 27 -3.089 -4.457 -2.522
186 HG LEU 27 HG LEU 27 -1.934 -2.777 -3.475
187 1HD1 LEU 27 1HD1 LEU 27 -1.537 -1.731 -1.221
188 2HD1 LEU 27 2HD1 LEU 27 0.023 -2.558 -1.212
189 3HD1 LEU 27 3HD1 LEU 27 -0.344 -1.375 -2.469
190 1HD2 LEU 27 1HD2 LEU 27 -0.656 -4.730 -4.088
191 2HD2 LEU 27 2HD2 LEU 27 0.395 -3.320 -3.948
192 3HD2 LEU 27 3HD2 LEU 27 0.369 -4.534 -2.665
193 H ALA 28 H ALA 28 -4.923 -3.975 -1.827
194 HA ALA 28 HA ALA 28 -5.599 -1.399 -2.605
195 1HB ALA 28 1HB ALA 28 -8.018 -2.780 -2.226
196 2HB ALA 28 2HB ALA 28 -7.087 -2.610 -3.716
197 3HB ALA 28 3HB ALA 28 -6.815 -3.993 -2.656
198 H LEU 29 H LEU 29 -6.486 -3.165 0.353
199 HA LEU 29 HA LEU 29 -8.338 -1.427 1.452
200 1HB LEU 29 1HB LEU 29 -6.212 -3.071 2.809
201 2HB LEU 29 2HB LEU 29 -7.467 -2.210 3.675
202 HG LEU 29 HG LEU 29 -7.981 -4.381 1.646
203 1HD1 LEU 29 1HD1 LEU 29 -6.973 -5.471 3.450
204 2HD1 LEU 29 2HD1 LEU 29 -7.750 -4.421 4.636
205 3HD1 LEU 29 3HD1 LEU 29 -8.703 -5.620 3.760
206 1HD2 LEU 29 1HD2 LEU 29 -10.178 -4.166 3.252
207 2HD2 LEU 29 2HD2 LEU 29 -9.674 -2.484 3.086
208 3HD2 LEU 29 3HD2 LEU 29 -10.013 -3.447 1.648
209 H HIS 30 H HIS 30 -4.807 -1.292 1.682
210 HA HIS 30 HA HIS 30 -4.819 1.142 3.217
211 1HB HIS 30 1HB HIS 30 -2.856 -0.022 3.621
212 2HB HIS 30 2HB HIS 30 -2.726 -0.594 1.963
213 HD1 HIS 30 HD1 HIS 30 -2.303 2.688 3.878
214 HD2 HIS 30 HD2 HIS 30 -0.874 0.707 0.504
215 HE1 HIS 30 HE1 HIS 30 -0.493 4.153 2.895
216 H ARG 31 H ARG 31 -4.494 0.218 -0.145
217 HA ARG 31 HA ARG 31 -3.613 2.757 -1.033
218 1HB ARG 31 1HB ARG 31 -4.638 0.311 -2.436
219 2HB ARG 31 2HB ARG 31 -4.262 1.788 -3.316
220 1HG ARG 31 1HG ARG 31 -1.993 1.571 -1.971
221 2HG ARG 31 2HG ARG 31 -2.452 -0.132 -1.966
222 1HD ARG 31 1HD ARG 31 -1.106 0.196 -3.886
223 2HD ARG 31 2HD ARG 31 -2.780 0.074 -4.457
224 HE ARG 31 HE ARG 31 -1.126 2.497 -4.326
225 1HH1 ARG 31 1HH1 ARG 31 -4.049 0.889 -5.406
226 2HH1 ARG 31 2HH1 ARG 31 -4.597 2.242 -6.355
227 1HH2 ARG 31 1HH2 ARG 31 -1.853 4.285 -5.571
228 2HH2 ARG 31 2HH2 ARG 31 -3.348 4.167 -6.451
229 H LYS 32 H LYS 32 -6.632 1.862 0.026
230 HA LYS 32 HA LYS 32 -8.329 3.111 -1.855
231 1HB LYS 32 1HB LYS 32 -8.560 2.125 0.912
232 2HB LYS 32 2HB LYS 32 -9.652 3.444 0.512
233 1HG LYS 32 1HG LYS 32 -11.020 1.952 -0.383
234 2HG LYS 32 2HG LYS 32 -9.815 1.677 -1.643
235 1HD LYS 32 1HD LYS 32 -8.729 0.069 0.052
236 2HD LYS 32 2HD LYS 32 -10.286 0.137 0.884
237 1HE LYS 32 1HE LYS 32 -11.066 -0.309 -1.682
238 2HE LYS 32 2HE LYS 32 -9.537 -1.185 -1.629
239 1HZ LYS 32 1HZ LYS 32 -10.446 -2.782 -0.402
240 2HZ LYS 32 2HZ LYS 32 -11.959 -2.084 -0.729
241 3HZ LYS 32 3HZ LYS 32 -11.128 -1.674 0.692
242 H ARG 33 H ARG 33 -6.440 4.276 0.840
243 HA ARG 33 HA ARG 33 -7.504 6.941 0.739
244 1HB ARG 33 1HB ARG 33 -6.054 7.446 2.509
245 2HB ARG 33 2HB ARG 33 -6.481 5.762 2.773
246 1HG ARG 33 1HG ARG 33 -4.377 5.046 2.471
247 2HG ARG 33 2HG ARG 33 -4.062 6.190 1.164
248 1HD ARG 33 1HD ARG 33 -4.270 7.040 4.038
249 2HD ARG 33 2HD ARG 33 -2.749 6.510 3.317
250 HE ARG 33 HE ARG 33 -2.994 8.370 1.724
251 1HH1 ARG 33 1HH1 ARG 33 -4.765 8.480 4.748
252 2HH1 ARG 33 2HH1 ARG 33 -4.972 10.205 4.714
253 1HH2 ARG 33 1HH2 ARG 33 -3.269 10.641 1.666
254 2HH2 ARG 33 2HH2 ARG 33 -4.125 11.433 2.961
255 H HIS 34 H HIS 34 -5.519 5.270 -1.317
256 HA HIS 34 HA HIS 34 -3.808 7.543 -1.986
257 1HB HIS 34 1HB HIS 34 -3.948 4.688 -2.886
258 2HB HIS 34 2HB HIS 34 -3.147 5.879 -3.903
259 HD1 HIS 34 HD1 HIS 34 -1.327 7.420 -2.255
260 HD2 HIS 34 HD2 HIS 34 -2.178 3.447 -1.340
261 HE1 HIS 34 HE1 HIS 34 0.552 6.602 -0.771
262 H MET 35 H MET 35 -6.799 7.420 -2.248
263 HA MET 35 HA MET 35 -7.241 7.699 -5.105
264 1HB MET 35 1HB MET 35 -8.955 7.776 -2.659
265 2HB MET 35 2HB MET 35 -9.525 8.616 -4.094
266 1HG MET 35 1HG MET 35 -8.887 6.288 -5.214
267 2HG MET 35 2HG MET 35 -9.222 5.725 -3.579
268 1HE MET 35 1HE MET 35 -12.368 5.082 -6.087
269 2HE MET 35 2HE MET 35 -10.676 5.245 -6.561
270 3HE MET 35 3HE MET 35 -11.113 4.239 -5.180
271 H LEU 36 H LEU 36 -5.862 9.477 -2.750
272 HA LEU 36 HA LEU 36 -6.173 11.938 -4.260
273 1HB LEU 36 1HB LEU 36 -5.997 12.451 -1.391
274 2HB LEU 36 2HB LEU 36 -7.012 13.215 -2.597
275 HG LEU 36 HG LEU 36 -8.236 10.782 -2.293
276 1HD1 LEU 36 1HD1 LEU 36 -8.375 11.096 0.428
277 2HD1 LEU 36 2HD1 LEU 36 -7.467 9.841 -0.415
278 3HD1 LEU 36 3HD1 LEU 36 -6.657 11.319 0.099
279 1HD2 LEU 36 1HD2 LEU 36 -9.697 12.518 -2.324
280 2HD2 LEU 36 2HD2 LEU 36 -9.656 12.267 -0.578
281 3HD2 LEU 36 3HD2 LEU 36 -8.674 13.537 -1.311
282 H VAL 37 H VAL 37 -4.202 10.319 -4.593
283 HA VAL 37 HA VAL 37 -1.953 10.219 -4.711
284 HB VAL 37 HB VAL 37 -1.815 12.455 -2.678
285 1HG1 VAL 37 1HG1 VAL 37 0.421 12.663 -4.180
286 2HG1 VAL 37 2HG1 VAL 37 0.336 11.794 -2.648
287 3HG1 VAL 37 3HG1 VAL 37 0.196 10.913 -4.170
288 1HG2 VAL 37 1HG2 VAL 37 -3.054 13.050 -4.766
289 2HG2 VAL 37 2HG2 VAL 37 -1.581 13.986 -4.507
290 3HG2 VAL 37 3HG2 VAL 37 -1.594 12.668 -5.679
Start of MODEL 16
1 1H GLY 1 1H GLY 1 14.750 3.575 0.216
2 2H GLY 1 2H GLY 1 14.474 3.258 -1.428
3 3H GLY 1 3H GLY 1 13.533 2.485 -0.243
4 1HA GLY 1 1HA GLY 1 12.915 4.894 0.446
5 2HA GLY 1 2HA GLY 1 13.407 5.255 -1.205
6 H SER 2 H SER 2 10.975 5.883 -1.042
7 HA SER 2 HA SER 2 9.002 3.883 -1.057
8 1HB SER 2 1HB SER 2 8.583 6.300 -2.737
9 2HB SER 2 2HB SER 2 7.546 5.590 -1.499
10 HG SER 2 HG SER 2 8.954 6.441 0.082
11 H THR 3 H THR 3 8.536 2.376 -2.483
12 HA THR 3 HA THR 3 8.535 1.074 -4.329
13 HB THR 3 HB THR 3 9.169 3.209 -6.272
14 HG1 THR 3 HG1 THR 3 6.581 3.311 -5.139
15 1HG2 THR 3 1HG2 THR 3 6.650 1.996 -6.692
16 2HG2 THR 3 2HG2 THR 3 7.749 0.731 -6.142
17 3HG2 THR 3 3HG2 THR 3 8.157 1.700 -7.559
18 H ARG 4 H ARG 4 10.668 0.627 -3.123
19 HA ARG 4 HA ARG 4 13.092 1.582 -4.228
20 1HB ARG 4 1HB ARG 4 14.188 -0.073 -2.833
21 2HB ARG 4 2HB ARG 4 12.903 0.717 -1.933
22 1HG ARG 4 1HG ARG 4 11.762 -1.188 -1.650
23 2HG ARG 4 2HG ARG 4 12.084 -1.742 -3.294
24 1HD ARG 4 1HD ARG 4 13.118 -3.235 -1.698
25 2HD ARG 4 2HD ARG 4 14.360 -2.379 -2.609
26 HE ARG 4 HE ARG 4 13.560 -1.702 0.152
27 1HH1 ARG 4 1HH1 ARG 4 15.980 -2.007 -2.367
28 2HH1 ARG 4 2HH1 ARG 4 17.278 -1.409 -1.366
29 1HH2 ARG 4 1HH2 ARG 4 15.244 -0.902 1.459
30 2HH2 ARG 4 2HH2 ARG 4 16.863 -0.803 0.821
31 H GLY 5 H GLY 5 10.990 -0.967 -5.180
32 1HA GLY 5 1HA GLY 5 12.169 -1.397 -7.646
33 2HA GLY 5 2HA GLY 5 12.898 -2.569 -6.557
34 H SER 6 H SER 6 9.843 -1.408 -7.848
35 HA SER 6 HA SER 6 7.872 -2.336 -8.246
36 1HB SER 6 1HB SER 6 8.916 -5.093 -8.278
37 2HB SER 6 2HB SER 6 7.937 -4.227 -9.451
38 HG SER 6 HG SER 6 9.663 -3.762 -10.508
39 H THR 7 H THR 7 9.141 -5.034 -6.464
40 HA THR 7 HA THR 7 7.334 -4.429 -4.264
41 HB THR 7 HB THR 7 6.951 -7.050 -4.211
42 HG1 THR 7 HG1 THR 7 7.237 -6.497 -7.001
43 1HG2 THR 7 1HG2 THR 7 4.919 -6.604 -5.750
44 2HG2 THR 7 2HG2 THR 7 5.531 -4.948 -5.809
45 3HG2 THR 7 3HG2 THR 7 5.070 -5.666 -4.261
46 H GLY 8 H GLY 8 8.994 -3.905 -2.929
47 1HA GLY 8 1HA GLY 8 11.408 -5.349 -2.675
48 2HA GLY 8 2HA GLY 8 10.768 -4.208 -1.500
49 H ILE 9 H ILE 9 9.564 -4.975 0.258
50 HA ILE 9 HA ILE 9 9.938 -7.792 0.885
51 HB ILE 9 HB ILE 9 8.292 -5.884 2.516
52 1HG1 ILE 9 1HG1 ILE 9 11.294 -6.127 2.733
53 2HG1 ILE 9 2HG1 ILE 9 10.489 -4.801 1.899
54 1HG2 ILE 9 1HG2 ILE 9 10.056 -7.578 3.998
55 2HG2 ILE 9 2HG2 ILE 9 8.294 -7.538 3.989
56 3HG2 ILE 9 3HG2 ILE 9 9.156 -8.542 2.822
57 1HD1 ILE 9 1HD1 ILE 9 11.188 -4.237 4.191
58 2HD1 ILE 9 2HD1 ILE 9 9.446 -4.091 3.945
59 3HD1 ILE 9 3HD1 ILE 9 10.100 -5.486 4.804
60 H LYS 10 H LYS 10 8.109 -9.163 1.450
61 HA LYS 10 HA LYS 10 6.140 -10.188 1.031
62 1HB LYS 10 1HB LYS 10 5.513 -7.452 1.806
63 2HB LYS 10 2HB LYS 10 4.227 -8.203 0.865
64 1HG LYS 10 1HG LYS 10 3.610 -9.504 2.560
65 2HG LYS 10 2HG LYS 10 5.273 -9.988 2.899
66 1HD LYS 10 1HD LYS 10 5.337 -7.470 3.828
67 2HD LYS 10 2HD LYS 10 3.632 -7.839 4.090
68 1HE LYS 10 1HE LYS 10 5.026 -10.094 4.965
69 2HE LYS 10 2HE LYS 10 5.945 -8.714 5.564
70 1HZ LYS 10 1HZ LYS 10 3.024 -8.726 5.888
71 2HZ LYS 10 2HZ LYS 10 4.214 -7.996 6.854
72 3HZ LYS 10 3HZ LYS 10 3.970 -9.672 6.933
73 HA PRO 11 HA PRO 11 5.405 -10.472 -3.274
74 1HB PRO 11 1HB PRO 11 2.841 -11.462 -3.293
75 2HB PRO 11 2HB PRO 11 4.280 -12.435 -2.975
76 1HG PRO 11 1HG PRO 11 2.357 -11.209 -1.043
77 2HG PRO 11 2HG PRO 11 3.097 -12.820 -1.013
78 1HD PRO 11 1HD PRO 11 4.001 -10.836 0.545
79 2HD PRO 11 2HD PRO 11 5.115 -12.010 -0.195
80 H PHE 12 H PHE 12 3.220 -8.646 -1.284
81 HA PHE 12 HA PHE 12 2.478 -7.018 -3.610
82 1HB PHE 12 1HB PHE 12 0.629 -7.821 -1.356
83 2HB PHE 12 2HB PHE 12 0.217 -6.765 -2.706
84 HD1 PHE 12 HD1 PHE 12 0.523 -7.799 -5.083
85 HD2 PHE 12 HD2 PHE 12 0.147 -10.074 -1.508
86 HE1 PHE 12 HE1 PHE 12 -0.169 -9.753 -6.406
87 HE2 PHE 12 HE2 PHE 12 -0.550 -12.033 -2.825
88 HZ PHE 12 HZ PHE 12 -0.707 -11.873 -5.279
89 H GLN 13 H GLN 13 3.954 -5.418 -3.054
90 HA GLN 13 HA GLN 13 3.645 -4.165 -0.424
91 1HB GLN 13 1HB GLN 13 5.809 -3.499 -0.566
92 2HB GLN 13 2HB GLN 13 5.915 -4.818 -1.722
93 1HG GLN 13 1HG GLN 13 5.815 -3.349 -3.557
94 2HG GLN 13 2HG GLN 13 5.297 -2.007 -2.548
95 1HE2 GLN 13 1HE2 GLN 13 7.093 -2.352 -0.445
96 2HE2 GLN 13 2HE2 GLN 13 8.664 -1.920 -1.027
97 H CYS 14 H CYS 14 3.560 -1.745 -0.389
98 HA CYS 14 HA CYS 14 1.689 -0.773 -2.340
99 1HB CYS 14 1HB CYS 14 1.465 0.100 -0.076
100 2HB CYS 14 2HB CYS 14 3.117 0.719 -0.118
101 HA PRO 15 HA PRO 15 4.937 0.605 -5.061
102 1HB PRO 15 1HB PRO 15 3.369 1.592 -6.999
103 2HB PRO 15 2HB PRO 15 3.535 -0.149 -6.739
104 1HG PRO 15 1HG PRO 15 1.329 1.696 -5.911
105 2HG PRO 15 2HG PRO 15 1.230 0.049 -6.561
106 1HD PRO 15 1HD PRO 15 1.028 0.681 -3.889
107 2HD PRO 15 2HD PRO 15 1.538 -0.902 -4.506
108 H ASP 16 H ASP 16 2.816 2.461 -3.231
109 HA ASP 16 HA ASP 16 3.839 4.999 -4.308
110 1HB ASP 16 1HB ASP 16 1.315 4.515 -3.966
111 2HB ASP 16 2HB ASP 16 1.655 4.746 -2.254
112 H CYS 17 H CYS 17 3.592 3.053 -1.397
113 HA CYS 17 HA CYS 17 5.120 5.060 0.080
114 1HB CYS 17 1HB CYS 17 3.630 2.628 1.059
115 2HB CYS 17 2HB CYS 17 4.463 3.791 2.088
116 H ASP 18 H ASP 18 5.295 1.791 -1.043
117 HA ASP 18 HA ASP 18 7.040 0.288 -1.139
118 1HB ASP 18 1HB ASP 18 8.636 2.341 -0.874
119 2HB ASP 18 2HB ASP 18 8.697 1.857 0.817
120 H ARG 19 H ARG 19 4.797 0.353 0.486
121 HA ARG 19 HA ARG 19 5.495 -0.582 3.127
122 1HB ARG 19 1HB ARG 19 3.036 0.049 1.652
123 2HB ARG 19 2HB ARG 19 2.890 -1.342 2.719
124 1HG ARG 19 1HG ARG 19 2.996 -0.092 4.574
125 2HG ARG 19 2HG ARG 19 4.211 0.993 3.900
126 1HD ARG 19 1HD ARG 19 2.484 2.456 3.955
127 2HD ARG 19 2HD ARG 19 2.129 1.715 2.397
128 HE ARG 19 HE ARG 19 0.218 0.836 3.281
129 1HH1 ARG 19 1HH1 ARG 19 2.284 1.936 5.896
130 2HH1 ARG 19 2HH1 ARG 19 1.126 1.569 7.142
131 1HH2 ARG 19 1HH2 ARG 19 -1.290 0.291 4.949
132 2HH2 ARG 19 2HH2 ARG 19 -0.886 0.613 6.604
133 H SER 20 H SER 20 3.656 -2.817 3.275
134 HA SER 20 HA SER 20 4.293 -4.678 1.207
135 1HB SER 20 1HB SER 20 5.449 -6.148 3.190
136 2HB SER 20 2HB SER 20 6.342 -5.240 1.973
137 HG SER 20 HG SER 20 6.811 -3.699 3.411
138 H PHE 21 H PHE 21 2.690 -6.085 1.083
139 HA PHE 21 HA PHE 21 1.307 -6.924 3.537
140 1HB PHE 21 1HB PHE 21 -0.152 -6.295 0.964
141 2HB PHE 21 2HB PHE 21 -0.849 -6.633 2.545
142 HD1 PHE 21 HD1 PHE 21 1.026 -4.137 0.577
143 HD2 PHE 21 HD2 PHE 21 -1.160 -4.926 4.144
144 HE1 PHE 21 HE1 PHE 21 0.978 -1.730 1.076
145 HE2 PHE 21 HE2 PHE 21 -1.212 -2.519 4.644
146 HZ PHE 21 HZ PHE 21 -0.131 -0.926 3.113
147 H SER 22 H SER 22 0.449 -9.017 3.458
148 HA SER 22 HA SER 22 1.810 -10.776 1.652
149 1HB SER 22 1HB SER 22 -0.196 -12.133 3.184
150 2HB SER 22 2HB SER 22 1.558 -12.176 3.386
151 HG SER 22 HG SER 22 1.315 -11.003 5.104
152 H ARG 23 H ARG 23 -1.362 -9.398 1.931
153 HA ARG 23 HA ARG 23 -2.261 -10.953 -0.417
154 1HB ARG 23 1HB ARG 23 -3.898 -9.891 1.894
155 2HB ARG 23 2HB ARG 23 -4.570 -10.631 0.447
156 1HG ARG 23 1HG ARG 23 -3.136 -12.662 1.052
157 2HG ARG 23 2HG ARG 23 -2.965 -11.897 2.636
158 1HD ARG 23 1HD ARG 23 -5.300 -13.197 1.390
159 2HD ARG 23 2HD ARG 23 -4.814 -13.111 3.078
160 HE ARG 23 HE ARG 23 -5.937 -10.726 1.809
161 1HH1 ARG 23 1HH1 ARG 23 -6.222 -13.324 4.136
162 2HH1 ARG 23 2HH1 ARG 23 -7.588 -12.621 4.943
163 1HH2 ARG 23 1HH2 ARG 23 -7.731 -9.787 2.862
164 2HH2 ARG 23 2HH2 ARG 23 -8.455 -10.615 4.217
165 H SER 24 H SER 24 -2.981 -9.979 -2.079
166 HA SER 24 HA SER 24 -2.400 -7.279 -2.542
167 1HB SER 24 1HB SER 24 -4.231 -8.070 -4.477
168 2HB SER 24 2HB SER 24 -2.479 -8.234 -4.566
169 HG SER 24 HG SER 24 -3.633 -10.217 -4.915
170 H ASP 25 H ASP 25 -5.203 -8.902 -1.342
171 HA ASP 25 HA ASP 25 -7.121 -6.878 -1.783
172 1HB ASP 25 1HB ASP 25 -8.243 -8.721 -1.126
173 2HB ASP 25 2HB ASP 25 -6.902 -9.307 -0.162
174 H HIS 26 H HIS 26 -4.838 -7.515 0.824
175 HA HIS 26 HA HIS 26 -5.713 -5.398 2.510
176 1HB HIS 26 1HB HIS 26 -3.463 -7.309 2.456
177 2HB HIS 26 2HB HIS 26 -3.143 -5.786 3.284
178 HD1 HIS 26 HD1 HIS 26 -3.214 -6.554 5.678
179 HD2 HIS 26 HD2 HIS 26 -6.539 -7.785 3.495
180 HE1 HIS 26 HE1 HIS 26 -4.825 -7.502 7.365
181 HE2 HIS 26 HE2 HIS 26 -6.914 -8.022 6.050
182 H LEU 27 H LEU 27 -3.393 -5.670 -0.099
183 HA LEU 27 HA LEU 27 -2.073 -3.200 0.124
184 1HB LEU 27 1HB LEU 27 -1.615 -5.087 -1.531
185 2HB LEU 27 2HB LEU 27 -2.962 -4.472 -2.466
186 HG LEU 27 HG LEU 27 -1.777 -2.759 -3.308
187 1HD1 LEU 27 1HD1 LEU 27 -0.293 -1.333 -2.163
188 2HD1 LEU 27 2HD1 LEU 27 -1.586 -1.718 -1.027
189 3HD1 LEU 27 3HD1 LEU 27 -0.020 -2.519 -0.886
190 1HD2 LEU 27 1HD2 LEU 27 0.635 -4.250 -2.330
191 2HD2 LEU 27 2HD2 LEU 27 -0.409 -4.850 -3.619
192 3HD2 LEU 27 3HD2 LEU 27 0.445 -3.319 -3.818
193 H ALA 28 H ALA 28 -4.876 -4.056 -1.879
194 HA ALA 28 HA ALA 28 -5.544 -1.528 -2.772
195 1HB ALA 28 1HB ALA 28 -7.269 -3.945 -2.286
196 2HB ALA 28 2HB ALA 28 -7.856 -2.480 -3.073
197 3HB ALA 28 3HB ALA 28 -6.545 -3.408 -3.803
198 H LEU 29 H LEU 29 -6.470 -3.130 0.236
199 HA LEU 29 HA LEU 29 -8.432 -1.327 1.105
200 1HB LEU 29 1HB LEU 29 -6.482 -2.993 2.679
201 2HB LEU 29 2HB LEU 29 -7.805 -2.097 3.397
202 HG LEU 29 HG LEU 29 -8.126 -4.307 1.373
203 1HD1 LEU 29 1HD1 LEU 29 -8.591 -4.329 4.349
204 2HD1 LEU 29 2HD1 LEU 29 -8.921 -5.652 3.228
205 3HD1 LEU 29 3HD1 LEU 29 -7.259 -5.126 3.507
206 1HD2 LEU 29 1HD2 LEU 29 -10.490 -4.190 1.973
207 2HD2 LEU 29 2HD2 LEU 29 -10.156 -2.823 3.038
208 3HD2 LEU 29 3HD2 LEU 29 -9.924 -2.660 1.297
209 H HIS 30 H HIS 30 -4.922 -1.316 1.565
210 HA HIS 30 HA HIS 30 -4.924 1.112 3.086
211 1HB HIS 30 1HB HIS 30 -3.008 -0.122 3.524
212 2HB HIS 30 2HB HIS 30 -2.825 -0.634 1.853
213 HD1 HIS 30 HD1 HIS 30 -2.521 2.630 3.815
214 HD2 HIS 30 HD2 HIS 30 -0.862 0.635 0.560
215 HE1 HIS 30 HE1 HIS 30 -0.649 4.101 2.948
216 H ARG 31 H ARG 31 -4.558 0.238 -0.289
217 HA ARG 31 HA ARG 31 -3.580 2.763 -1.125
218 1HB ARG 31 1HB ARG 31 -4.770 0.446 -2.632
219 2HB ARG 31 2HB ARG 31 -4.233 1.924 -3.426
220 1HG ARG 31 1HG ARG 31 -1.997 1.515 -2.240
221 2HG ARG 31 2HG ARG 31 -2.601 -0.117 -1.957
222 1HD ARG 31 1HD ARG 31 -1.208 0.011 -3.973
223 2HD ARG 31 2HD ARG 31 -2.869 -0.459 -4.349
224 HE ARG 31 HE ARG 31 -1.706 2.211 -4.813
225 1HH1 ARG 31 1HH1 ARG 31 -4.017 -0.303 -5.590
226 2HH1 ARG 31 2HH1 ARG 31 -4.724 0.573 -6.913
227 1HH2 ARG 31 1HH2 ARG 31 -2.606 3.355 -6.587
228 2HH2 ARG 31 2HH2 ARG 31 -3.913 2.646 -7.492
229 H LYS 32 H LYS 32 -6.599 1.901 -0.059
230 HA LYS 32 HA LYS 32 -8.322 3.378 -1.744
231 1HB LYS 32 1HB LYS 32 -8.450 2.091 0.864
232 2HB LYS 32 2HB LYS 32 -9.365 3.591 0.823
233 1HG LYS 32 1HG LYS 32 -11.011 2.285 0.059
234 2HG LYS 32 2HG LYS 32 -10.176 2.455 -1.488
235 1HD LYS 32 1HD LYS 32 -8.819 0.382 -0.337
236 2HD LYS 32 2HD LYS 32 -10.464 0.120 0.258
237 1HE LYS 32 1HE LYS 32 -10.269 0.790 -2.594
238 2HE LYS 32 2HE LYS 32 -9.521 -0.740 -2.140
239 1HZ LYS 32 1HZ LYS 32 -11.493 -1.676 -1.716
240 2HZ LYS 32 2HZ LYS 32 -12.112 -0.450 -2.710
241 3HZ LYS 32 3HZ LYS 32 -12.153 -0.277 -1.024
242 H ARG 33 H ARG 33 -6.149 4.222 0.833
243 HA ARG 33 HA ARG 33 -7.097 6.900 1.181
244 1HB ARG 33 1HB ARG 33 -4.557 5.502 2.000
245 2HB ARG 33 2HB ARG 33 -4.886 7.186 2.380
246 1HG ARG 33 1HG ARG 33 -7.067 5.421 3.133
247 2HG ARG 33 2HG ARG 33 -5.542 5.017 3.925
248 1HD ARG 33 1HD ARG 33 -5.961 7.868 3.906
249 2HD ARG 33 2HD ARG 33 -7.340 7.038 4.626
250 HE ARG 33 HE ARG 33 -4.559 6.642 5.537
251 1HH1 ARG 33 1HH1 ARG 33 -7.975 7.052 6.178
252 2HH1 ARG 33 2HH1 ARG 33 -7.796 6.948 7.905
253 1HH2 ARG 33 1HH2 ARG 33 -4.315 6.480 7.792
254 2HH2 ARG 33 2HH2 ARG 33 -5.710 6.592 8.827
255 H HIS 34 H HIS 34 -5.208 5.342 -1.156
256 HA HIS 34 HA HIS 34 -3.668 7.695 -1.857
257 1HB HIS 34 1HB HIS 34 -3.808 4.898 -2.961
258 2HB HIS 34 2HB HIS 34 -2.919 6.178 -3.789
259 HD1 HIS 34 HD1 HIS 34 -1.560 7.587 -1.466
260 HD2 HIS 34 HD2 HIS 34 -1.899 3.449 -1.743
261 HE1 HIS 34 HE1 HIS 34 0.277 6.613 -0.016
262 H MET 35 H MET 35 -6.761 6.913 -2.240
263 HA MET 35 HA MET 35 -7.147 7.800 -4.970
264 1HB MET 35 1HB MET 35 -9.082 7.350 -2.693
265 2HB MET 35 2HB MET 35 -9.562 7.839 -4.312
266 1HG MET 35 1HG MET 35 -8.835 5.787 -5.244
267 2HG MET 35 2HG MET 35 -8.014 5.326 -3.755
268 1HE MET 35 1HE MET 35 -9.696 2.734 -3.223
269 2HE MET 35 2HE MET 35 -10.858 2.852 -4.545
270 3HE MET 35 3HE MET 35 -9.174 3.308 -4.805
271 H LEU 36 H LEU 36 -6.331 9.172 -2.079
272 HA LEU 36 HA LEU 36 -6.940 11.826 -3.101
273 1HB LEU 36 1HB LEU 36 -7.062 11.831 -0.216
274 2HB LEU 36 2HB LEU 36 -8.193 12.503 -1.371
275 HG LEU 36 HG LEU 36 -8.788 9.838 -1.506
276 1HD1 LEU 36 1HD1 LEU 36 -8.268 10.445 1.399
277 2HD1 LEU 36 2HD1 LEU 36 -8.890 8.948 0.707
278 3HD1 LEU 36 3HD1 LEU 36 -7.223 9.435 0.399
279 1HD2 LEU 36 1HD2 LEU 36 -9.907 12.126 0.066
280 2HD2 LEU 36 2HD2 LEU 36 -10.519 11.382 -1.412
281 3HD2 LEU 36 3HD2 LEU 36 -10.659 10.530 0.127
282 H VAL 37 H VAL 37 -4.656 10.652 -3.519
283 HA VAL 37 HA VAL 37 -2.420 10.766 -3.304
284 HB VAL 37 HB VAL 37 -2.830 13.108 -1.443
285 1HG1 VAL 37 1HG1 VAL 37 -0.531 11.842 -2.449
286 2HG1 VAL 37 2HG1 VAL 37 -0.687 13.364 -3.328
287 3HG1 VAL 37 3HG1 VAL 37 -0.628 13.364 -1.565
288 1HG2 VAL 37 1HG2 VAL 37 -2.356 13.868 -4.176
289 2HG2 VAL 37 2HG2 VAL 37 -3.813 12.879 -4.059
290 3HG2 VAL 37 3HG2 VAL 37 -3.661 14.346 -3.092
Start of MODEL 17
1 1H GLY 1 1H GLY 1 7.686 3.749 -4.370
2 2H GLY 1 2H GLY 1 9.073 2.774 -4.280
3 3H GLY 1 3H GLY 1 8.543 3.617 -2.909
4 1HA GLY 1 1HA GLY 1 7.600 1.685 -2.340
5 2HA GLY 1 2HA GLY 1 6.352 2.204 -3.464
6 H SER 2 H SER 2 7.375 -0.502 -2.677
7 HA SER 2 HA SER 2 7.806 -2.519 -3.610
8 1HB SER 2 1HB SER 2 7.039 -1.365 -6.285
9 2HB SER 2 2HB SER 2 6.801 -3.008 -5.685
10 HG SER 2 HG SER 2 5.587 -1.215 -4.073
11 H THR 3 H THR 3 10.070 -1.350 -3.159
12 HA THR 3 HA THR 3 11.643 -0.971 -5.532
13 HB THR 3 HB THR 3 12.994 -1.201 -2.915
14 HG1 THR 3 HG1 THR 3 11.337 1.055 -3.422
15 1HG2 THR 3 1HG2 THR 3 13.180 1.314 -4.357
16 2HG2 THR 3 2HG2 THR 3 13.574 -0.074 -5.372
17 3HG2 THR 3 3HG2 THR 3 14.452 0.196 -3.867
18 H ARG 4 H ARG 4 10.582 -3.606 -4.050
19 HA ARG 4 HA ARG 4 11.121 -5.810 -3.934
20 1HB ARG 4 1HB ARG 4 12.531 -4.962 -6.460
21 2HB ARG 4 2HB ARG 4 12.365 -6.643 -5.971
22 1HG ARG 4 1HG ARG 4 9.983 -4.843 -6.272
23 2HG ARG 4 2HG ARG 4 10.670 -5.730 -7.635
24 1HD ARG 4 1HD ARG 4 9.641 -7.592 -7.004
25 2HD ARG 4 2HD ARG 4 10.356 -7.488 -5.396
26 HE ARG 4 HE ARG 4 7.889 -6.019 -6.102
27 1HH1 ARG 4 1HH1 ARG 4 9.694 -8.167 -3.988
28 2HH1 ARG 4 2HH1 ARG 4 8.409 -8.302 -2.824
29 1HH2 ARG 4 1HH2 ARG 4 6.191 -6.201 -4.559
30 2HH2 ARG 4 2HH2 ARG 4 6.432 -7.185 -3.138
31 H GLY 5 H GLY 5 12.299 -5.890 -2.032
32 1HA GLY 5 1HA GLY 5 14.645 -7.189 -1.926
33 2HA GLY 5 2HA GLY 5 15.173 -5.517 -2.058
34 H SER 6 H SER 6 15.754 -4.764 -0.119
35 HA SER 6 HA SER 6 14.489 -5.673 2.307
36 1HB SER 6 1HB SER 6 16.066 -3.222 2.502
37 2HB SER 6 2HB SER 6 16.276 -4.756 3.350
38 HG SER 6 HG SER 6 18.025 -4.195 1.901
39 H THR 7 H THR 7 14.512 -2.998 0.211
40 HA THR 7 HA THR 7 12.071 -1.917 1.424
41 HB THR 7 HB THR 7 12.587 -0.311 -0.756
42 HG1 THR 7 HG1 THR 7 14.749 0.137 -0.814
43 1HG2 THR 7 1HG2 THR 7 13.164 -0.059 2.164
44 2HG2 THR 7 2HG2 THR 7 11.902 0.717 1.205
45 3HG2 THR 7 3HG2 THR 7 13.578 1.253 1.060
46 H GLY 8 H GLY 8 10.615 -3.406 0.750
47 1HA GLY 8 1HA GLY 8 9.155 -3.721 -1.322
48 2HA GLY 8 2HA GLY 8 10.668 -4.173 -2.096
49 H ILE 9 H ILE 9 9.304 -4.928 1.071
50 HA ILE 9 HA ILE 9 9.918 -7.742 0.802
51 HB ILE 9 HB ILE 9 8.143 -6.642 2.938
52 1HG1 ILE 9 1HG1 ILE 9 11.064 -6.479 3.428
53 2HG1 ILE 9 2HG1 ILE 9 10.361 -5.230 2.402
54 1HG2 ILE 9 1HG2 ILE 9 8.828 -9.083 2.691
55 2HG2 ILE 9 2HG2 ILE 9 10.431 -8.566 3.213
56 3HG2 ILE 9 3HG2 ILE 9 9.042 -8.346 4.277
57 1HD1 ILE 9 1HD1 ILE 9 8.680 -5.527 4.652
58 2HD1 ILE 9 2HD1 ILE 9 10.343 -5.428 5.229
59 3HD1 ILE 9 3HD1 ILE 9 9.687 -4.150 4.204
60 H LYS 10 H LYS 10 8.165 -9.378 1.121
61 HA LYS 10 HA LYS 10 6.188 -10.369 0.640
62 1HB LYS 10 1HB LYS 10 5.464 -7.700 1.630
63 2HB LYS 10 2HB LYS 10 4.211 -8.476 0.669
64 1HG LYS 10 1HG LYS 10 3.674 -9.835 2.334
65 2HG LYS 10 2HG LYS 10 5.354 -10.330 2.551
66 1HD LYS 10 1HD LYS 10 4.889 -7.641 3.521
67 2HD LYS 10 2HD LYS 10 3.831 -8.814 4.306
68 1HE LYS 10 1HE LYS 10 6.412 -9.962 4.161
69 2HE LYS 10 2HE LYS 10 6.604 -8.315 4.761
70 1HZ LYS 10 1HZ LYS 10 4.632 -10.216 5.891
71 2HZ LYS 10 2HZ LYS 10 5.162 -8.747 6.555
72 3HZ LYS 10 3HZ LYS 10 6.213 -10.073 6.487
73 HA PRO 11 HA PRO 11 5.601 -10.109 -3.679
74 1HB PRO 11 1HB PRO 11 3.182 -11.347 -3.943
75 2HB PRO 11 2HB PRO 11 4.694 -12.203 -3.624
76 1HG PRO 11 1HG PRO 11 2.554 -11.366 -1.708
77 2HG PRO 11 2HG PRO 11 3.429 -12.905 -1.799
78 1HD PRO 11 1HD PRO 11 4.075 -11.023 0.003
79 2HD PRO 11 2HD PRO 11 5.314 -12.037 -0.768
80 H PHE 12 H PHE 12 3.337 -8.617 -1.546
81 HA PHE 12 HA PHE 12 2.317 -6.983 -3.762
82 1HB PHE 12 1HB PHE 12 0.770 -7.956 -1.350
83 2HB PHE 12 2HB PHE 12 0.154 -6.850 -2.574
84 HD1 PHE 12 HD1 PHE 12 0.578 -7.843 -5.084
85 HD2 PHE 12 HD2 PHE 12 0.022 -10.106 -1.525
86 HE1 PHE 12 HE1 PHE 12 -0.196 -9.754 -6.426
87 HE2 PHE 12 HE2 PHE 12 -0.758 -12.019 -2.860
88 HZ PHE 12 HZ PHE 12 -0.865 -11.845 -5.314
89 H GLN 13 H GLN 13 3.724 -5.297 -3.353
90 HA GLN 13 HA GLN 13 3.580 -4.078 -0.688
91 1HB GLN 13 1HB GLN 13 5.673 -4.415 -2.644
92 2HB GLN 13 2HB GLN 13 5.494 -2.722 -2.194
93 1HG GLN 13 1HG GLN 13 5.364 -3.877 0.218
94 2HG GLN 13 2HG GLN 13 6.404 -5.008 -0.623
95 1HE2 GLN 13 1HE2 GLN 13 7.489 -3.835 1.422
96 2HE2 GLN 13 2HE2 GLN 13 8.571 -2.555 0.977
97 H CYS 14 H CYS 14 3.542 -1.720 -0.582
98 HA CYS 14 HA CYS 14 1.589 -0.595 -2.397
99 1HB CYS 14 1HB CYS 14 1.548 0.209 -0.089
100 2HB CYS 14 2HB CYS 14 3.210 0.781 -0.238
101 HA PRO 15 HA PRO 15 4.806 0.538 -5.251
102 1HB PRO 15 1HB PRO 15 3.221 1.776 -7.071
103 2HB PRO 15 2HB PRO 15 3.324 0.017 -6.930
104 1HG PRO 15 1HG PRO 15 1.247 1.890 -5.871
105 2HG PRO 15 2HG PRO 15 1.041 0.301 -6.631
106 1HD PRO 15 1HD PRO 15 0.940 0.683 -3.940
107 2HD PRO 15 2HD PRO 15 1.500 -0.827 -4.683
108 H ASP 16 H ASP 16 3.100 2.534 -3.214
109 HA ASP 16 HA ASP 16 4.512 4.911 -4.243
110 1HB ASP 16 1HB ASP 16 2.077 5.179 -4.267
111 2HB ASP 16 2HB ASP 16 2.011 4.795 -2.549
112 H CYS 17 H CYS 17 3.639 3.118 -1.327
113 HA CYS 17 HA CYS 17 5.254 4.922 0.291
114 1HB CYS 17 1HB CYS 17 3.545 2.571 1.103
115 2HB CYS 17 2HB CYS 17 4.392 3.630 2.220
116 H ASP 18 H ASP 18 5.331 1.642 -0.826
117 HA ASP 18 HA ASP 18 6.882 -0.010 -0.724
118 1HB ASP 18 1HB ASP 18 9.091 0.310 -0.297
119 2HB ASP 18 2HB ASP 18 8.633 1.978 -0.566
120 H ARG 19 H ARG 19 4.700 0.744 1.000
121 HA ARG 19 HA ARG 19 5.126 -0.668 3.490
122 1HB ARG 19 1HB ARG 19 2.919 0.701 2.159
123 2HB ARG 19 2HB ARG 19 2.428 -0.848 2.835
124 1HG ARG 19 1HG ARG 19 2.894 -0.198 5.000
125 2HG ARG 19 2HG ARG 19 3.987 1.082 4.475
126 1HD ARG 19 1HD ARG 19 2.030 2.165 5.216
127 2HD ARG 19 2HD ARG 19 1.997 2.210 3.453
128 HE ARG 19 HE ARG 19 0.256 0.647 3.445
129 1HH1 ARG 19 1HH1 ARG 19 1.303 1.506 6.686
130 2HH1 ARG 19 2HH1 ARG 19 -0.085 0.805 7.470
131 1HH2 ARG 19 1HH2 ARG 19 -1.603 -0.257 4.495
132 2HH2 ARG 19 2HH2 ARG 19 -1.739 -0.194 6.225
133 H SER 20 H SER 20 4.110 -2.842 3.804
134 HA SER 20 HA SER 20 4.109 -4.345 1.259
135 1HB SER 20 1HB SER 20 5.240 -5.830 3.510
136 2HB SER 20 2HB SER 20 5.811 -5.685 1.850
137 HG SER 20 HG SER 20 6.083 -3.356 3.227
138 H PHE 21 H PHE 21 2.793 -6.074 1.063
139 HA PHE 21 HA PHE 21 1.173 -6.891 3.370
140 1HB PHE 21 1HB PHE 21 -0.017 -6.137 0.690
141 2HB PHE 21 2HB PHE 21 -0.896 -6.653 2.126
142 HD1 PHE 21 HD1 PHE 21 0.912 -3.907 0.528
143 HD2 PHE 21 HD2 PHE 21 -1.223 -5.155 3.992
144 HE1 PHE 21 HE1 PHE 21 0.789 -1.573 1.292
145 HE2 PHE 21 HE2 PHE 21 -1.356 -2.821 4.752
146 HZ PHE 21 HZ PHE 21 -0.335 -1.033 3.409
147 H SER 22 H SER 22 0.480 -9.001 3.286
148 HA SER 22 HA SER 22 1.848 -10.700 1.391
149 1HB SER 22 1HB SER 22 -0.012 -11.961 3.283
150 2HB SER 22 2HB SER 22 1.705 -12.257 3.019
151 HG SER 22 HG SER 22 2.119 -11.089 4.697
152 H ARG 23 H ARG 23 -1.245 -9.319 1.836
153 HA ARG 23 HA ARG 23 -2.318 -10.957 -0.369
154 1HB ARG 23 1HB ARG 23 -3.908 -9.816 1.941
155 2HB ARG 23 2HB ARG 23 -4.554 -10.748 0.597
156 1HG ARG 23 1HG ARG 23 -2.966 -12.603 1.368
157 2HG ARG 23 2HG ARG 23 -2.828 -11.674 2.862
158 1HD ARG 23 1HD ARG 23 -4.849 -13.512 2.101
159 2HD ARG 23 2HD ARG 23 -4.710 -12.595 3.598
160 HE ARG 23 HE ARG 23 -6.022 -10.829 2.505
161 1HH1 ARG 23 1HH1 ARG 23 -6.081 -14.035 1.078
162 2HH1 ARG 23 2HH1 ARG 23 -7.647 -13.815 0.349
163 1HH2 ARG 23 1HH2 ARG 23 -8.084 -10.565 1.597
164 2HH2 ARG 23 2HH2 ARG 23 -8.794 -11.834 0.648
165 H SER 24 H SER 24 -3.020 -9.852 -2.077
166 HA SER 24 HA SER 24 -2.481 -7.107 -2.348
167 1HB SER 24 1HB SER 24 -3.078 -9.178 -4.073
168 2HB SER 24 2HB SER 24 -4.493 -8.136 -4.212
169 HG SER 24 HG SER 24 -2.659 -7.656 -5.652
170 H ASP 25 H ASP 25 -5.226 -8.814 -1.161
171 HA ASP 25 HA ASP 25 -7.215 -6.844 -1.459
172 1HB ASP 25 1HB ASP 25 -8.412 -8.498 -0.576
173 2HB ASP 25 2HB ASP 25 -6.950 -9.411 -0.320
174 H HIS 26 H HIS 26 -4.935 -7.542 1.124
175 HA HIS 26 HA HIS 26 -5.671 -5.399 2.827
176 1HB HIS 26 1HB HIS 26 -3.462 -7.348 2.679
177 2HB HIS 26 2HB HIS 26 -3.056 -5.821 3.457
178 HD1 HIS 26 HD1 HIS 26 -2.982 -6.556 5.864
179 HD2 HIS 26 HD2 HIS 26 -6.471 -7.729 3.925
180 HE1 HIS 26 HE1 HIS 26 -4.475 -7.500 7.658
181 HE2 HIS 26 HE2 HIS 26 -6.636 -8.053 6.484
182 H LEU 27 H LEU 27 -3.416 -5.722 0.162
183 HA LEU 27 HA LEU 27 -2.039 -3.288 0.331
184 1HB LEU 27 1HB LEU 27 -1.635 -5.192 -1.300
185 2HB LEU 27 2HB LEU 27 -2.998 -4.590 -2.219
186 HG LEU 27 HG LEU 27 -1.811 -2.909 -3.138
187 1HD1 LEU 27 1HD1 LEU 27 0.132 -2.580 -0.901
188 2HD1 LEU 27 2HD1 LEU 27 -0.455 -1.396 -2.070
189 3HD1 LEU 27 3HD1 LEU 27 -1.504 -1.936 -0.759
190 1HD2 LEU 27 1HD2 LEU 27 -0.304 -5.191 -2.888
191 2HD2 LEU 27 2HD2 LEU 27 -0.001 -3.843 -3.987
192 3HD2 LEU 27 3HD2 LEU 27 0.807 -3.901 -2.422
193 H ALA 28 H ALA 28 -4.878 -4.078 -1.643
194 HA ALA 28 HA ALA 28 -5.452 -1.519 -2.532
195 1HB ALA 28 1HB ALA 28 -6.418 -3.805 -3.249
196 2HB ALA 28 2HB ALA 28 -7.635 -3.504 -2.010
197 3HB ALA 28 3HB ALA 28 -7.448 -2.378 -3.354
198 H LEU 29 H LEU 29 -6.501 -3.123 0.447
199 HA LEU 29 HA LEU 29 -8.403 -1.280 1.320
200 1HB LEU 29 1HB LEU 29 -6.441 -2.932 2.894
201 2HB LEU 29 2HB LEU 29 -7.746 -2.014 3.620
202 HG LEU 29 HG LEU 29 -8.155 -4.219 1.608
203 1HD1 LEU 29 1HD1 LEU 29 -7.199 -5.181 3.583
204 2HD1 LEU 29 2HD1 LEU 29 -8.292 -4.258 4.616
205 3HD1 LEU 29 3HD1 LEU 29 -8.928 -5.529 3.571
206 1HD2 LEU 29 1HD2 LEU 29 -10.351 -3.618 3.366
207 2HD2 LEU 29 2HD2 LEU 29 -9.843 -2.176 2.487
208 3HD2 LEU 29 3HD2 LEU 29 -10.297 -3.632 1.603
209 H HIS 30 H HIS 30 -4.900 -1.276 1.647
210 HA HIS 30 HA HIS 30 -4.823 1.193 3.109
211 1HB HIS 30 1HB HIS 30 -2.941 -0.105 3.544
212 2HB HIS 30 2HB HIS 30 -2.776 -0.615 1.869
213 HD1 HIS 30 HD1 HIS 30 -2.367 2.588 3.902
214 HD2 HIS 30 HD2 HIS 30 -0.853 0.703 0.510
215 HE1 HIS 30 HE1 HIS 30 -0.508 4.065 3.026
216 H ARG 31 H ARG 31 -4.401 0.187 -0.251
217 HA ARG 31 HA ARG 31 -3.431 2.712 -1.080
218 1HB ARG 31 1HB ARG 31 -4.448 0.341 -2.639
219 2HB ARG 31 2HB ARG 31 -3.827 1.803 -3.399
220 1HG ARG 31 1HG ARG 31 -1.730 1.426 -2.003
221 2HG ARG 31 2HG ARG 31 -2.362 -0.191 -1.708
222 1HD ARG 31 1HD ARG 31 -0.801 -0.214 -3.562
223 2HD ARG 31 2HD ARG 31 -2.431 -0.594 -4.128
224 HE ARG 31 HE ARG 31 -1.215 2.081 -4.423
225 1HH1 ARG 31 1HH1 ARG 31 -3.047 -0.621 -5.696
226 2HH1 ARG 31 2HH1 ARG 31 -3.268 0.106 -7.263
227 1HH2 ARG 31 1HH2 ARG 31 -1.516 3.044 -6.455
228 2HH2 ARG 31 2HH2 ARG 31 -2.384 2.196 -7.699
229 H LYS 32 H LYS 32 -6.521 1.716 -0.317
230 HA LYS 32 HA LYS 32 -8.096 3.115 -2.192
231 1HB LYS 32 1HB LYS 32 -8.479 1.767 0.327
232 2HB LYS 32 2HB LYS 32 -9.382 3.276 0.303
233 1HG LYS 32 1HG LYS 32 -10.697 1.352 -0.482
234 2HG LYS 32 2HG LYS 32 -10.529 2.613 -1.706
235 1HD LYS 32 1HD LYS 32 -9.400 1.262 -3.099
236 2HD LYS 32 2HD LYS 32 -8.410 0.594 -1.794
237 1HE LYS 32 1HE LYS 32 -9.924 -1.078 -1.330
238 2HE LYS 32 2HE LYS 32 -11.285 -0.178 -1.998
239 1HZ LYS 32 1HZ LYS 32 -9.203 -0.893 -3.891
240 2HZ LYS 32 2HZ LYS 32 -10.890 -0.935 -4.059
241 3HZ LYS 32 3HZ LYS 32 -10.088 -2.197 -3.255
242 H ARG 33 H ARG 33 -6.261 4.064 0.593
243 HA ARG 33 HA ARG 33 -7.343 6.694 0.821
244 1HB ARG 33 1HB ARG 33 -4.959 5.275 1.940
245 2HB ARG 33 2HB ARG 33 -5.076 7.022 2.092
246 1HG ARG 33 1HG ARG 33 -7.132 6.829 3.317
247 2HG ARG 33 2HG ARG 33 -7.158 5.082 3.069
248 1HD ARG 33 1HD ARG 33 -6.343 5.437 5.262
249 2HD ARG 33 2HD ARG 33 -4.951 4.996 4.275
250 HE ARG 33 HE ARG 33 -4.761 7.620 4.151
251 1HH1 ARG 33 1HH1 ARG 33 -5.516 5.600 6.905
252 2HH1 ARG 33 2HH1 ARG 33 -4.834 6.704 8.065
253 1HH2 ARG 33 1HH2 ARG 33 -3.841 9.074 5.672
254 2HH2 ARG 33 2HH2 ARG 33 -3.892 8.671 7.371
255 H HIS 34 H HIS 34 -5.164 5.218 -1.325
256 HA HIS 34 HA HIS 34 -3.706 7.645 -1.942
257 1HB HIS 34 1HB HIS 34 -3.680 4.849 -3.047
258 2HB HIS 34 2HB HIS 34 -2.838 6.159 -3.867
259 HD1 HIS 34 HD1 HIS 34 -1.098 7.515 -2.104
260 HD2 HIS 34 HD2 HIS 34 -2.116 3.556 -1.300
261 HE1 HIS 34 HE1 HIS 34 0.630 6.639 -0.473
262 H MET 35 H MET 35 -6.697 6.400 -2.668
263 HA MET 35 HA MET 35 -6.858 7.744 -5.272
264 1HB MET 35 1HB MET 35 -9.058 6.184 -3.925
265 2HB MET 35 2HB MET 35 -8.921 6.612 -5.624
266 1HG MET 35 1HG MET 35 -7.561 4.884 -6.092
267 2HG MET 35 2HG MET 35 -6.742 4.962 -4.535
268 1HE MET 35 1HE MET 35 -9.656 3.099 -6.563
269 2HE MET 35 2HE MET 35 -10.839 3.003 -5.258
270 3HE MET 35 3HE MET 35 -10.313 4.576 -5.856
271 H LEU 36 H LEU 36 -7.288 8.312 -2.037
272 HA LEU 36 HA LEU 36 -8.880 10.700 -2.586
273 1HB LEU 36 1HB LEU 36 -9.413 9.126 -0.088
274 2HB LEU 36 2HB LEU 36 -10.404 10.358 -0.843
275 HG LEU 36 HG LEU 36 -10.076 8.035 -2.559
276 1HD1 LEU 36 1HD1 LEU 36 -11.313 7.633 0.154
277 2HD1 LEU 36 2HD1 LEU 36 -11.498 6.537 -1.216
278 3HD1 LEU 36 3HD1 LEU 36 -9.907 6.799 -0.504
279 1HD2 LEU 36 1HD2 LEU 36 -11.804 10.031 -2.451
280 2HD2 LEU 36 2HD2 LEU 36 -12.261 8.442 -3.065
281 3HD2 LEU 36 3HD2 LEU 36 -12.675 8.903 -1.414
282 H VAL 37 H VAL 37 -6.428 11.187 -2.491
283 HA VAL 37 HA VAL 37 -5.320 11.304 0.180
284 HB VAL 37 HB VAL 37 -3.377 12.426 -0.943
285 1HG1 VAL 37 1HG1 VAL 37 -2.536 10.386 -1.179
286 2HG1 VAL 37 2HG1 VAL 37 -4.170 9.752 -0.983
287 3HG1 VAL 37 3HG1 VAL 37 -3.538 10.076 -2.596
288 1HG2 VAL 37 1HG2 VAL 37 -4.880 11.800 -3.481
289 2HG2 VAL 37 2HG2 VAL 37 -4.632 13.416 -2.818
290 3HG2 VAL 37 3HG2 VAL 37 -3.250 12.462 -3.359
Start of MODEL 18
1 1H GLY 1 1H GLY 1 10.624 -7.772 -5.642
2 2H GLY 1 2H GLY 1 9.527 -6.543 -5.255
3 3H GLY 1 3H GLY 1 10.198 -7.497 -4.025
4 1HA GLY 1 1HA GLY 1 12.374 -6.593 -4.427
5 2HA GLY 1 2HA GLY 1 11.740 -5.675 -5.785
6 H SER 2 H SER 2 13.091 -4.570 -3.529
7 HA SER 2 HA SER 2 10.908 -2.906 -2.464
8 1HB SER 2 1HB SER 2 13.355 -3.758 -0.904
9 2HB SER 2 2HB SER 2 12.000 -2.797 -0.307
10 HG SER 2 HG SER 2 10.720 -4.762 -1.006
11 H THR 3 H THR 3 11.593 -0.749 -1.815
12 HA THR 3 HA THR 3 13.486 0.314 -3.736
13 HB THR 3 HB THR 3 12.734 2.526 -2.889
14 HG1 THR 3 HG1 THR 3 11.056 0.935 -1.188
15 1HG2 THR 3 1HG2 THR 3 10.637 2.482 -3.930
16 2HG2 THR 3 2HG2 THR 3 10.300 0.839 -3.387
17 3HG2 THR 3 3HG2 THR 3 11.492 1.120 -4.655
18 H ARG 4 H ARG 4 14.951 2.158 -2.903
19 HA ARG 4 HA ARG 4 16.614 1.055 -0.806
20 1HB ARG 4 1HB ARG 4 17.077 2.563 -3.112
21 2HB ARG 4 2HB ARG 4 17.422 3.663 -1.785
22 1HG ARG 4 1HG ARG 4 18.626 1.218 -1.118
23 2HG ARG 4 2HG ARG 4 19.001 1.523 -2.815
24 1HD ARG 4 1HD ARG 4 20.653 2.467 -1.175
25 2HD ARG 4 2HD ARG 4 19.972 3.635 -2.308
26 HE ARG 4 HE ARG 4 18.651 4.535 -0.542
27 1HH1 ARG 4 1HH1 ARG 4 21.020 2.158 0.484
28 2HH1 ARG 4 2HH1 ARG 4 20.928 2.606 2.165
29 1HH2 ARG 4 1HH2 ARG 4 18.535 5.125 1.672
30 2HH2 ARG 4 2HH2 ARG 4 19.534 4.300 2.833
31 H GLY 5 H GLY 5 14.964 1.389 0.859
32 1HA GLY 5 1HA GLY 5 15.457 3.347 2.671
33 2HA GLY 5 2HA GLY 5 14.284 4.094 1.593
34 H SER 6 H SER 6 12.241 2.981 1.288
35 HA SER 6 HA SER 6 11.197 1.962 3.771
36 1HB SER 6 1HB SER 6 9.486 1.774 1.392
37 2HB SER 6 2HB SER 6 9.190 2.591 2.929
38 HG SER 6 HG SER 6 10.422 4.337 2.207
39 H THR 7 H THR 7 10.404 -0.106 4.127
40 HA THR 7 HA THR 7 11.745 -2.119 2.536
41 HB THR 7 HB THR 7 10.626 -3.539 4.537
42 HG1 THR 7 HG1 THR 7 10.071 -2.316 6.185
43 1HG2 THR 7 1HG2 THR 7 12.917 -3.696 4.304
44 2HG2 THR 7 2HG2 THR 7 12.783 -2.821 5.831
45 3HG2 THR 7 3HG2 THR 7 13.142 -1.946 4.340
46 H GLY 8 H GLY 8 10.398 -2.058 0.693
47 1HA GLY 8 1HA GLY 8 7.615 -2.746 0.888
48 2HA GLY 8 2HA GLY 8 8.545 -2.544 -0.592
49 H ILE 9 H ILE 9 8.511 -4.710 2.201
50 HA ILE 9 HA ILE 9 9.381 -6.969 0.657
51 HB ILE 9 HB ILE 9 8.162 -7.191 3.389
52 1HG1 ILE 9 1HG1 ILE 9 11.059 -6.476 3.042
53 2HG1 ILE 9 2HG1 ILE 9 9.842 -5.209 3.143
54 1HG2 ILE 9 1HG2 ILE 9 9.118 -9.210 3.408
55 2HG2 ILE 9 2HG2 ILE 9 9.440 -8.969 1.690
56 3HG2 ILE 9 3HG2 ILE 9 10.669 -8.553 2.884
57 1HD1 ILE 9 1HD1 ILE 9 10.421 -7.305 5.219
58 2HD1 ILE 9 2HD1 ILE 9 10.824 -5.589 5.305
59 3HD1 ILE 9 3HD1 ILE 9 9.137 -6.101 5.321
60 H LYS 10 H LYS 10 8.037 -9.072 0.826
61 HA LYS 10 HA LYS 10 6.156 -10.280 0.400
62 1HB LYS 10 1HB LYS 10 5.005 -7.900 1.735
63 2HB LYS 10 2HB LYS 10 3.901 -8.840 0.738
64 1HG LYS 10 1HG LYS 10 3.701 -10.372 2.322
65 2HG LYS 10 2HG LYS 10 5.450 -10.611 2.365
66 1HD LYS 10 1HD LYS 10 5.578 -8.567 3.834
67 2HD LYS 10 2HD LYS 10 3.817 -8.624 3.936
68 1HE LYS 10 1HE LYS 10 3.816 -10.545 5.197
69 2HE LYS 10 2HE LYS 10 5.360 -11.098 4.548
70 1HZ LYS 10 1HZ LYS 10 5.077 -8.794 6.404
71 2HZ LYS 10 2HZ LYS 10 6.520 -9.532 5.900
72 3HZ LYS 10 3HZ LYS 10 5.444 -10.374 6.904
73 HA PRO 11 HA PRO 11 5.559 -9.476 -3.844
74 1HB PRO 11 1HB PRO 11 3.162 -10.771 -4.282
75 2HB PRO 11 2HB PRO 11 4.733 -11.573 -4.181
76 1HG PRO 11 1HG PRO 11 2.637 -11.234 -2.075
77 2HG PRO 11 2HG PRO 11 3.610 -12.666 -2.463
78 1HD PRO 11 1HD PRO 11 4.217 -11.125 -0.372
79 2HD PRO 11 2HD PRO 11 5.497 -11.819 -1.389
80 H PHE 12 H PHE 12 3.205 -8.448 -1.554
81 HA PHE 12 HA PHE 12 2.048 -6.619 -3.551
82 1HB PHE 12 1HB PHE 12 0.709 -7.737 -1.081
83 2HB PHE 12 2HB PHE 12 -0.025 -6.651 -2.258
84 HD1 PHE 12 HD1 PHE 12 0.188 -7.571 -4.781
85 HD2 PHE 12 HD2 PHE 12 0.171 -9.949 -1.253
86 HE1 PHE 12 HE1 PHE 12 -0.556 -9.513 -6.097
87 HE2 PHE 12 HE2 PHE 12 -0.578 -11.892 -2.560
88 HZ PHE 12 HZ PHE 12 -0.938 -11.676 -4.987
89 H GLN 13 H GLN 13 3.861 -5.217 -2.959
90 HA GLN 13 HA GLN 13 3.540 -3.879 -0.385
91 1HB GLN 13 1HB GLN 13 5.722 -3.029 -0.713
92 2HB GLN 13 2HB GLN 13 5.782 -4.701 -1.257
93 1HG GLN 13 1HG GLN 13 5.129 -2.734 -3.324
94 2HG GLN 13 2HG GLN 13 6.751 -2.629 -2.651
95 1HE2 GLN 13 1HE2 GLN 13 7.502 -5.133 -2.223
96 2HE2 GLN 13 2HE2 GLN 13 7.447 -6.087 -3.668
97 H CYS 14 H CYS 14 3.423 -1.509 -0.396
98 HA CYS 14 HA CYS 14 1.619 -0.551 -2.380
99 1HB CYS 14 1HB CYS 14 1.449 0.362 -0.129
100 2HB CYS 14 2HB CYS 14 3.103 0.970 -0.220
101 HA PRO 15 HA PRO 15 4.795 0.660 -5.244
102 1HB PRO 15 1HB PRO 15 3.200 1.856 -7.070
103 2HB PRO 15 2HB PRO 15 3.301 0.099 -6.904
104 1HG PRO 15 1HG PRO 15 1.226 1.988 -5.871
105 2HG PRO 15 2HG PRO 15 1.019 0.388 -6.605
106 1HD PRO 15 1HD PRO 15 0.933 0.834 -3.916
107 2HD PRO 15 2HD PRO 15 1.449 -0.705 -4.633
108 H ASP 16 H ASP 16 3.014 2.664 -3.242
109 HA ASP 16 HA ASP 16 4.365 5.068 -4.284
110 1HB ASP 16 1HB ASP 16 1.840 5.079 -4.227
111 2HB ASP 16 2HB ASP 16 1.953 5.021 -2.471
112 H CYS 17 H CYS 17 3.625 3.204 -1.394
113 HA CYS 17 HA CYS 17 5.395 4.950 0.165
114 1HB CYS 17 1HB CYS 17 3.559 2.781 1.187
115 2HB CYS 17 2HB CYS 17 4.419 3.975 2.152
116 H ASP 18 H ASP 18 5.033 1.703 -0.988
117 HA ASP 18 HA ASP 18 6.419 -0.087 -1.083
118 1HB ASP 18 1HB ASP 18 8.267 1.908 -1.060
119 2HB ASP 18 2HB ASP 18 8.681 1.058 0.427
120 H ARG 19 H ARG 19 4.549 -0.113 0.675
121 HA ARG 19 HA ARG 19 5.557 -0.754 3.324
122 1HB ARG 19 1HB ARG 19 2.896 -0.382 2.068
123 2HB ARG 19 2HB ARG 19 2.975 -1.552 3.381
124 1HG ARG 19 1HG ARG 19 3.149 0.034 4.925
125 2HG ARG 19 2HG ARG 19 4.347 0.930 3.991
126 1HD ARG 19 1HD ARG 19 2.593 2.417 4.025
127 2HD ARG 19 2HD ARG 19 2.307 1.570 2.506
128 HE ARG 19 HE ARG 19 0.341 0.823 3.361
129 1HH1 ARG 19 1HH1 ARG 19 2.338 1.902 6.031
130 2HH1 ARG 19 2HH1 ARG 19 1.169 1.462 7.244
131 1HH2 ARG 19 1HH2 ARG 19 -1.211 0.268 4.990
132 2HH2 ARG 19 2HH2 ARG 19 -0.828 0.556 6.658
133 H SER 20 H SER 20 3.653 -2.972 3.735
134 HA SER 20 HA SER 20 4.413 -4.949 1.771
135 1HB SER 20 1HB SER 20 5.058 -6.241 4.180
136 2HB SER 20 2HB SER 20 6.153 -5.812 2.867
137 HG SER 20 HG SER 20 6.553 -3.846 3.878
138 H PHE 21 H PHE 21 2.804 -6.217 1.420
139 HA PHE 21 HA PHE 21 1.072 -7.084 3.608
140 1HB PHE 21 1HB PHE 21 -0.126 -6.312 0.946
141 2HB PHE 21 2HB PHE 21 -0.946 -6.600 2.475
142 HD1 PHE 21 HD1 PHE 21 1.264 -4.229 0.687
143 HD2 PHE 21 HD2 PHE 21 -1.373 -4.843 3.972
144 HE1 PHE 21 HE1 PHE 21 1.266 -1.816 1.134
145 HE2 PHE 21 HE2 PHE 21 -1.361 -2.426 4.433
146 HZ PHE 21 HZ PHE 21 -0.036 -0.916 3.014
147 H SER 22 H SER 22 0.556 -9.219 3.456
148 HA SER 22 HA SER 22 1.785 -10.719 1.288
149 1HB SER 22 1HB SER 22 0.411 -12.514 2.913
150 2HB SER 22 2HB SER 22 2.119 -12.088 3.051
151 HG SER 22 HG SER 22 0.215 -11.674 4.821
152 H ARG 23 H ARG 23 -1.169 -9.312 1.998
153 HA ARG 23 HA ARG 23 -2.661 -11.115 0.201
154 1HB ARG 23 1HB ARG 23 -3.856 -9.131 2.129
155 2HB ARG 23 2HB ARG 23 -4.669 -10.435 1.282
156 1HG ARG 23 1HG ARG 23 -2.648 -11.659 2.766
157 2HG ARG 23 2HG ARG 23 -3.365 -10.449 3.838
158 1HD ARG 23 1HD ARG 23 -4.845 -12.569 2.300
159 2HD ARG 23 2HD ARG 23 -4.504 -12.597 4.029
160 HE ARG 23 HE ARG 23 -6.426 -10.879 2.640
161 1HH1 ARG 23 1HH1 ARG 23 -4.867 -11.767 5.652
162 2HH1 ARG 23 2HH1 ARG 23 -6.172 -11.177 6.645
163 1HH2 ARG 23 1HH2 ARG 23 -8.108 -10.061 3.938
164 2HH2 ARG 23 2HH2 ARG 23 -8.022 -10.222 5.671
165 H SER 24 H SER 24 -3.390 -10.460 -1.592
166 HA SER 24 HA SER 24 -2.582 -8.062 -2.773
167 1HB SER 24 1HB SER 24 -4.710 -9.088 -4.258
168 2HB SER 24 2HB SER 24 -3.000 -9.466 -4.463
169 HG SER 24 HG SER 24 -4.636 -11.253 -4.032
170 H ASP 25 H ASP 25 -5.418 -8.936 -0.973
171 HA ASP 25 HA ASP 25 -6.954 -6.645 -1.825
172 1HB ASP 25 1HB ASP 25 -7.972 -8.829 -1.093
173 2HB ASP 25 2HB ASP 25 -7.475 -8.434 0.547
174 H HIS 26 H HIS 26 -4.861 -7.542 0.801
175 HA HIS 26 HA HIS 26 -5.457 -5.441 2.588
176 1HB HIS 26 1HB HIS 26 -3.398 -7.497 2.318
177 2HB HIS 26 2HB HIS 26 -2.772 -5.997 2.997
178 HD1 HIS 26 HD1 HIS 26 -2.585 -6.511 5.435
179 HD2 HIS 26 HD2 HIS 26 -6.242 -7.686 3.839
180 HE1 HIS 26 HE1 HIS 26 -3.980 -7.238 7.397
181 HE2 HIS 26 HE2 HIS 26 -6.250 -7.754 6.429
182 H LEU 27 H LEU 27 -3.290 -5.693 -0.165
183 HA LEU 27 HA LEU 27 -1.892 -3.269 0.079
184 1HB LEU 27 1HB LEU 27 -1.597 -5.139 -1.658
185 2HB LEU 27 2HB LEU 27 -2.920 -4.385 -2.524
186 HG LEU 27 HG LEU 27 -1.643 -2.703 -3.295
187 1HD1 LEU 27 1HD1 LEU 27 -1.342 -1.782 -1.001
188 2HD1 LEU 27 2HD1 LEU 27 0.135 -2.743 -0.871
189 3HD1 LEU 27 3HD1 LEU 27 0.005 -1.481 -2.101
190 1HD2 LEU 27 1HD2 LEU 27 -0.429 -4.821 -3.816
191 2HD2 LEU 27 2HD2 LEU 27 0.564 -3.362 -3.851
192 3HD2 LEU 27 3HD2 LEU 27 0.651 -4.455 -2.468
193 H ALA 28 H ALA 28 -4.759 -3.979 -1.869
194 HA ALA 28 HA ALA 28 -5.396 -1.414 -2.641
195 1HB ALA 28 1HB ALA 28 -7.634 -3.292 -2.106
196 2HB ALA 28 2HB ALA 28 -7.310 -2.288 -3.519
197 3HB ALA 28 3HB ALA 28 -6.395 -3.776 -3.263
198 H LEU 29 H LEU 29 -6.301 -3.096 0.337
199 HA LEU 29 HA LEU 29 -8.227 -1.351 1.320
200 1HB LEU 29 1HB LEU 29 -6.170 -3.022 2.725
201 2HB LEU 29 2HB LEU 29 -7.356 -2.071 3.594
202 HG LEU 29 HG LEU 29 -7.995 -4.277 1.644
203 1HD1 LEU 29 1HD1 LEU 29 -7.051 -5.255 3.581
204 2HD1 LEU 29 2HD1 LEU 29 -7.947 -4.172 4.646
205 3HD1 LEU 29 3HD1 LEU 29 -8.801 -5.414 3.731
206 1HD2 LEU 29 1HD2 LEU 29 -10.218 -3.882 1.995
207 2HD2 LEU 29 2HD2 LEU 29 -9.952 -3.111 3.558
208 3HD2 LEU 29 3HD2 LEU 29 -9.591 -2.235 2.071
209 H HIS 30 H HIS 30 -4.712 -1.247 1.805
210 HA HIS 30 HA HIS 30 -4.758 1.241 3.213
211 1HB HIS 30 1HB HIS 30 -2.820 0.054 3.686
212 2HB HIS 30 2HB HIS 30 -2.643 -0.519 2.032
213 HD1 HIS 30 HD1 HIS 30 -2.183 2.715 4.021
214 HD2 HIS 30 HD2 HIS 30 -0.814 0.832 0.567
215 HE1 HIS 30 HE1 HIS 30 -0.365 4.193 3.063
216 H ARG 31 H ARG 31 -4.398 0.249 -0.121
217 HA ARG 31 HA ARG 31 -3.464 2.773 -1.031
218 1HB ARG 31 1HB ARG 31 -4.468 0.313 -2.440
219 2HB ARG 31 2HB ARG 31 -4.038 1.775 -3.320
220 1HG ARG 31 1HG ARG 31 -1.813 1.566 -1.939
221 2HG ARG 31 2HG ARG 31 -2.299 -0.126 -1.834
222 1HD ARG 31 1HD ARG 31 -0.912 0.028 -3.730
223 2HD ARG 31 2HD ARG 31 -2.561 -0.064 -4.353
224 HE ARG 31 HE ARG 31 -0.903 2.366 -4.234
225 1HH1 ARG 31 1HH1 ARG 31 -3.639 0.594 -5.519
226 2HH1 ARG 31 2HH1 ARG 31 -3.957 1.756 -6.777
227 1HH2 ARG 31 1HH2 ARG 31 -1.313 3.889 -5.879
228 2HH2 ARG 31 2HH2 ARG 31 -2.625 3.620 -6.995
229 H LYS 32 H LYS 32 -6.471 1.853 0.000
230 HA LYS 32 HA LYS 32 -8.193 3.108 -1.855
231 1HB LYS 32 1HB LYS 32 -8.376 2.007 0.828
232 2HB LYS 32 2HB LYS 32 -9.353 3.457 0.651
233 1HG LYS 32 1HG LYS 32 -10.920 2.086 -0.138
234 2HG LYS 32 2HG LYS 32 -9.964 2.064 -1.621
235 1HD LYS 32 1HD LYS 32 -8.691 0.181 -0.110
236 2HD LYS 32 2HD LYS 32 -10.376 -0.031 0.389
237 1HE LYS 32 1HE LYS 32 -10.383 0.276 -2.414
238 2HE LYS 32 2HE LYS 32 -9.078 -0.848 -2.033
239 1HZ LYS 32 1HZ LYS 32 -11.572 -1.319 -0.629
240 2HZ LYS 32 2HZ LYS 32 -10.516 -2.420 -1.366
241 3HZ LYS 32 3HZ LYS 32 -11.636 -1.556 -2.307
242 H ARG 33 H ARG 33 -6.109 4.290 0.639
243 HA ARG 33 HA ARG 33 -7.246 6.936 0.714
244 1HB ARG 33 1HB ARG 33 -4.595 5.936 1.766
245 2HB ARG 33 2HB ARG 33 -5.333 7.486 2.144
246 1HG ARG 33 1HG ARG 33 -6.764 6.594 3.641
247 2HG ARG 33 2HG ARG 33 -6.983 5.113 2.707
248 1HD ARG 33 1HD ARG 33 -5.832 4.780 4.892
249 2HD ARG 33 2HD ARG 33 -4.912 4.223 3.495
250 HE ARG 33 HE ARG 33 -3.405 5.993 3.791
251 1HH1 ARG 33 1HH1 ARG 33 -5.910 5.942 6.243
252 2HH1 ARG 33 2HH1 ARG 33 -5.102 7.090 7.274
253 1HH2 ARG 33 1HH2 ARG 33 -2.337 7.495 5.148
254 2HH2 ARG 33 2HH2 ARG 33 -3.085 8.001 6.633
255 H HIS 34 H HIS 34 -5.269 5.259 -1.400
256 HA HIS 34 HA HIS 34 -3.904 7.669 -2.367
257 1HB HIS 34 1HB HIS 34 -3.650 4.760 -3.166
258 2HB HIS 34 2HB HIS 34 -2.793 6.077 -3.960
259 HD1 HIS 34 HD1 HIS 34 -1.469 7.634 -1.858
260 HD2 HIS 34 HD2 HIS 34 -2.023 3.528 -1.497
261 HE1 HIS 34 HE1 HIS 34 0.267 6.813 -0.203
262 H MET 35 H MET 35 -6.781 6.106 -2.709
263 HA MET 35 HA MET 35 -7.074 6.620 -5.570
264 1HB MET 35 1HB MET 35 -8.980 5.377 -3.583
265 2HB MET 35 2HB MET 35 -9.267 5.514 -5.313
266 1HG MET 35 1HG MET 35 -7.527 3.993 -5.814
267 2HG MET 35 2HG MET 35 -6.910 4.050 -4.167
268 1HE MET 35 1HE MET 35 -6.948 1.548 -3.362
269 2HE MET 35 2HE MET 35 -8.050 0.405 -4.131
270 3HE MET 35 3HE MET 35 -6.963 1.381 -5.118
271 H LEU 36 H LEU 36 -6.831 8.655 -3.366
272 HA LEU 36 HA LEU 36 -8.956 10.371 -4.335
273 1HB LEU 36 1HB LEU 36 -8.588 10.924 -1.550
274 2HB LEU 36 2HB LEU 36 -10.071 10.559 -2.407
275 HG LEU 36 HG LEU 36 -8.530 8.156 -1.886
276 1HD1 LEU 36 1HD1 LEU 36 -9.617 9.106 0.657
277 2HD1 LEU 36 2HD1 LEU 36 -8.118 8.242 0.316
278 3HD1 LEU 36 3HD1 LEU 36 -8.194 9.993 0.113
279 1HD2 LEU 36 1HD2 LEU 36 -11.070 8.457 -0.522
280 2HD2 LEU 36 2HD2 LEU 36 -11.166 8.903 -2.225
281 3HD2 LEU 36 3HD2 LEU 36 -10.581 7.305 -1.765
282 H VAL 37 H VAL 37 -6.490 10.454 -5.215
283 HA VAL 37 HA VAL 37 -4.684 11.747 -5.585
284 HB VAL 37 HB VAL 37 -6.036 13.786 -3.811
285 1HG1 VAL 37 1HG1 VAL 37 -4.405 15.245 -4.324
286 2HG1 VAL 37 2HG1 VAL 37 -3.461 13.817 -4.750
287 3HG1 VAL 37 3HG1 VAL 37 -4.327 14.707 -6.002
288 1HG2 VAL 37 1HG2 VAL 37 -6.511 12.914 -6.582
289 2HG2 VAL 37 2HG2 VAL 37 -7.589 13.720 -5.440
290 3HG2 VAL 37 3HG2 VAL 37 -6.401 14.660 -6.346
Start of MODEL 19
1 1H GLY 1 1H GLY 1 3.292 10.601 0.750
2 2H GLY 1 2H GLY 1 3.942 9.538 1.900
3 3H GLY 1 3H GLY 1 3.499 8.959 0.370
4 1HA GLY 1 1HA GLY 1 5.208 10.818 -0.385
5 2HA GLY 1 2HA GLY 1 5.871 10.431 1.196
6 H SER 2 H SER 2 6.640 9.885 -1.738
7 HA SER 2 HA SER 2 6.489 7.139 -2.211
8 1HB SER 2 1HB SER 2 8.898 8.189 -3.342
9 2HB SER 2 2HB SER 2 7.375 7.817 -4.149
10 HG SER 2 HG SER 2 8.267 10.258 -3.054
11 H THR 3 H THR 3 7.594 5.437 -1.525
12 HA THR 3 HA THR 3 8.957 4.129 -0.270
13 HB THR 3 HB THR 3 11.264 5.968 -0.426
14 HG1 THR 3 HG1 THR 3 9.721 5.209 -2.666
15 1HG2 THR 3 1HG2 THR 3 10.673 3.117 -0.507
16 2HG2 THR 3 2HG2 THR 3 12.159 3.951 -0.052
17 3HG2 THR 3 3HG2 THR 3 11.826 3.606 -1.749
18 H ARG 4 H ARG 4 7.399 5.904 1.269
19 HA ARG 4 HA ARG 4 9.029 7.116 3.296
20 1HB ARG 4 1HB ARG 4 6.864 7.328 4.546
21 2HB ARG 4 2HB ARG 4 6.866 8.069 2.953
22 1HG ARG 4 1HG ARG 4 5.078 6.895 2.400
23 2HG ARG 4 2HG ARG 4 5.969 5.396 2.669
24 1HD ARG 4 1HD ARG 4 5.100 6.681 5.137
25 2HD ARG 4 2HD ARG 4 3.763 6.238 4.076
26 HE ARG 4 HE ARG 4 5.107 3.978 4.055
27 1HH1 ARG 4 1HH1 ARG 4 4.388 6.080 6.755
28 2HH1 ARG 4 2HH1 ARG 4 4.396 4.793 7.925
29 1HH2 ARG 4 1HH2 ARG 4 5.168 2.277 5.607
30 2HH2 ARG 4 2HH2 ARG 4 4.868 2.647 7.277
31 H GLY 5 H GLY 5 7.695 3.970 2.740
32 1HA GLY 5 1HA GLY 5 8.199 3.167 5.514
33 2HA GLY 5 2HA GLY 5 7.381 2.205 4.290
34 H SER 6 H SER 6 9.487 2.756 2.306
35 HA SER 6 HA SER 6 11.264 1.658 1.441
36 1HB SER 6 1HB SER 6 12.524 1.853 4.149
37 2HB SER 6 2HB SER 6 13.271 2.045 2.567
38 HG SER 6 HG SER 6 12.540 4.072 2.440
39 H THR 7 H THR 7 9.227 -0.031 2.493
40 HA THR 7 HA THR 7 10.816 -2.355 3.364
41 HB THR 7 HB THR 7 8.465 -3.014 4.400
42 HG1 THR 7 HG1 THR 7 7.662 -0.867 3.536
43 1HG2 THR 7 1HG2 THR 7 10.799 -2.393 5.475
44 2HG2 THR 7 2HG2 THR 7 9.350 -2.543 6.467
45 3HG2 THR 7 3HG2 THR 7 9.923 -0.948 5.978
46 H GLY 8 H GLY 8 10.875 -2.675 0.958
47 1HA GLY 8 1HA GLY 8 8.436 -3.418 -0.363
48 2HA GLY 8 2HA GLY 8 10.060 -3.567 -1.015
49 H ILE 9 H ILE 9 8.651 -4.891 1.899
50 HA ILE 9 HA ILE 9 9.550 -7.585 1.290
51 HB ILE 9 HB ILE 9 7.697 -6.881 3.544
52 1HG1 ILE 9 1HG1 ILE 9 10.656 -6.669 3.944
53 2HG1 ILE 9 2HG1 ILE 9 9.787 -5.294 3.269
54 1HG2 ILE 9 1HG2 ILE 9 9.003 -9.201 2.750
55 2HG2 ILE 9 2HG2 ILE 9 9.922 -8.623 4.141
56 3HG2 ILE 9 3HG2 ILE 9 8.188 -8.917 4.289
57 1HD1 ILE 9 1HD1 ILE 9 9.158 -4.682 5.293
58 2HD1 ILE 9 2HD1 ILE 9 8.359 -6.237 5.536
59 3HD1 ILE 9 3HD1 ILE 9 10.057 -6.039 5.972
60 H LYS 10 H LYS 10 7.915 -9.395 1.416
61 HA LYS 10 HA LYS 10 6.008 -10.451 0.801
62 1HB LYS 10 1HB LYS 10 4.962 -7.783 1.653
63 2HB LYS 10 2HB LYS 10 3.867 -8.922 0.883
64 1HG LYS 10 1HG LYS 10 3.858 -10.330 2.655
65 2HG LYS 10 2HG LYS 10 5.525 -9.961 3.102
66 1HD LYS 10 1HD LYS 10 4.043 -7.590 3.461
67 2HD LYS 10 2HD LYS 10 3.084 -8.896 4.160
68 1HE LYS 10 1HE LYS 10 5.878 -9.149 4.854
69 2HE LYS 10 2HE LYS 10 5.237 -7.579 5.338
70 1HZ LYS 10 1HZ LYS 10 3.932 -10.163 5.991
71 2HZ LYS 10 2HZ LYS 10 3.539 -8.632 6.606
72 3HZ LYS 10 3HZ LYS 10 5.006 -9.365 7.033
73 HA PRO 11 HA PRO 11 5.731 -10.034 -3.520
74 1HB PRO 11 1HB PRO 11 3.274 -11.171 -4.009
75 2HB PRO 11 2HB PRO 11 4.751 -12.084 -3.686
76 1HG PRO 11 1HG PRO 11 2.538 -11.339 -1.819
77 2HG PRO 11 2HG PRO 11 3.407 -12.878 -1.961
78 1HD PRO 11 1HD PRO 11 3.976 -11.138 -0.009
79 2HD PRO 11 2HD PRO 11 5.258 -12.076 -0.803
80 H PHE 12 H PHE 12 3.292 -8.566 -1.549
81 HA PHE 12 HA PHE 12 2.488 -6.853 -3.797
82 1HB PHE 12 1HB PHE 12 0.746 -7.721 -1.482
83 2HB PHE 12 2HB PHE 12 0.252 -6.722 -2.848
84 HD1 PHE 12 HD1 PHE 12 0.869 -7.922 -5.214
85 HD2 PHE 12 HD2 PHE 12 0.002 -9.883 -1.539
86 HE1 PHE 12 HE1 PHE 12 0.193 -9.934 -6.453
87 HE2 PHE 12 HE2 PHE 12 -0.675 -11.901 -2.772
88 HZ PHE 12 HZ PHE 12 -0.572 -11.931 -5.234
89 H GLN 13 H GLN 13 3.912 -5.198 -3.263
90 HA GLN 13 HA GLN 13 3.687 -4.023 -0.582
91 1HB GLN 13 1HB GLN 13 5.440 -3.207 -2.889
92 2HB GLN 13 2HB GLN 13 5.496 -2.560 -1.255
93 1HG GLN 13 1HG GLN 13 6.949 -4.085 -0.709
94 2HG GLN 13 2HG GLN 13 5.757 -5.335 -1.067
95 1HE2 GLN 13 1HE2 GLN 13 6.309 -6.731 -2.541
96 2HE2 GLN 13 2HE2 GLN 13 7.446 -6.485 -3.830
97 H CYS 14 H CYS 14 3.689 -1.621 -0.564
98 HA CYS 14 HA CYS 14 1.621 -0.554 -2.315
99 1HB CYS 14 1HB CYS 14 1.602 0.240 0.008
100 2HB CYS 14 2HB CYS 14 3.238 0.866 -0.182
101 HA PRO 15 HA PRO 15 4.848 0.752 -5.131
102 1HB PRO 15 1HB PRO 15 3.239 1.760 -7.032
103 2HB PRO 15 2HB PRO 15 3.408 0.018 -6.788
104 1HG PRO 15 1HG PRO 15 1.229 1.857 -5.878
105 2HG PRO 15 2HG PRO 15 1.105 0.228 -6.568
106 1HD PRO 15 1HD PRO 15 0.954 0.767 -3.884
107 2HD PRO 15 2HD PRO 15 1.497 -0.783 -4.552
108 H ASP 16 H ASP 16 3.028 2.544 -3.077
109 HA ASP 16 HA ASP 16 3.976 5.114 -4.175
110 1HB ASP 16 1HB ASP 16 1.424 4.536 -3.639
111 2HB ASP 16 2HB ASP 16 1.916 5.038 -2.025
112 H CYS 17 H CYS 17 3.629 3.191 -1.256
113 HA CYS 17 HA CYS 17 5.307 5.096 0.195
114 1HB CYS 17 1HB CYS 17 3.683 2.792 1.270
115 2HB CYS 17 2HB CYS 17 4.507 4.020 2.222
116 H ASP 18 H ASP 18 5.214 1.816 -0.901
117 HA ASP 18 HA ASP 18 6.801 0.134 -0.940
118 1HB ASP 18 1HB ASP 18 8.465 2.344 -0.077
119 2HB ASP 18 2HB ASP 18 8.844 0.889 0.837
120 H ARG 19 H ARG 19 4.610 0.312 0.589
121 HA ARG 19 HA ARG 19 5.222 -0.618 3.273
122 1HB ARG 19 1HB ARG 19 2.602 -0.640 1.745
123 2HB ARG 19 2HB ARG 19 2.803 -0.997 3.453
124 1HG ARG 19 1HG ARG 19 3.922 1.554 2.986
125 2HG ARG 19 2HG ARG 19 2.345 1.503 2.194
126 1HD ARG 19 1HD ARG 19 2.843 0.686 5.048
127 2HD ARG 19 2HD ARG 19 2.287 2.285 4.560
128 HE ARG 19 HE ARG 19 0.391 0.808 3.449
129 1HH1 ARG 19 1HH1 ARG 19 1.887 0.517 6.617
130 2HH1 ARG 19 2HH1 ARG 19 0.496 -0.222 7.355
131 1HH2 ARG 19 1HH2 ARG 19 -1.467 -0.134 4.455
132 2HH2 ARG 19 2HH2 ARG 19 -1.417 -0.570 6.136
133 H SER 20 H SER 20 3.713 -2.867 3.596
134 HA SER 20 HA SER 20 4.278 -4.606 1.336
135 1HB SER 20 1HB SER 20 5.204 -6.058 3.569
136 2HB SER 20 2HB SER 20 6.122 -5.505 2.171
137 HG SER 20 HG SER 20 6.688 -3.667 3.244
138 H PHE 21 H PHE 21 2.767 -6.041 1.024
139 HA PHE 21 HA PHE 21 1.081 -6.868 3.286
140 1HB PHE 21 1HB PHE 21 0.004 -6.190 0.545
141 2HB PHE 21 2HB PHE 21 -0.924 -6.594 1.985
142 HD1 PHE 21 HD1 PHE 21 1.120 -4.017 0.353
143 HD2 PHE 21 HD2 PHE 21 -1.381 -4.961 3.662
144 HE1 PHE 21 HE1 PHE 21 0.978 -1.628 0.926
145 HE2 PHE 21 HE2 PHE 21 -1.523 -2.577 4.242
146 HZ PHE 21 HZ PHE 21 -0.340 -0.909 2.877
147 H SER 22 H SER 22 0.448 -8.964 3.269
148 HA SER 22 HA SER 22 1.764 -10.732 1.386
149 1HB SER 22 1HB SER 22 0.234 -12.345 2.973
150 2HB SER 22 2HB SER 22 1.865 -11.811 3.391
151 HG SER 22 HG SER 22 1.024 -10.776 5.008
152 H ARG 23 H ARG 23 -1.326 -9.348 1.994
153 HA ARG 23 HA ARG 23 -2.564 -11.049 -0.072
154 1HB ARG 23 1HB ARG 23 -3.876 -9.426 2.115
155 2HB ARG 23 2HB ARG 23 -4.721 -10.402 0.921
156 1HG ARG 23 1HG ARG 23 -3.506 -12.396 1.819
157 2HG ARG 23 2HG ARG 23 -2.903 -11.360 3.118
158 1HD ARG 23 1HD ARG 23 -5.005 -12.764 3.566
159 2HD ARG 23 2HD ARG 23 -5.024 -11.066 4.034
160 HE ARG 23 HE ARG 23 -6.716 -10.716 2.548
161 1HH1 ARG 23 1HH1 ARG 23 -5.135 -13.737 1.726
162 2HH1 ARG 23 2HH1 ARG 23 -6.269 -14.131 0.470
163 1HH2 ARG 23 1HH2 ARG 23 -8.251 -11.274 0.963
164 2HH2 ARG 23 2HH2 ARG 23 -8.060 -12.749 0.058
165 H SER 24 H SER 24 -3.247 -10.141 -1.897
166 HA SER 24 HA SER 24 -2.571 -7.492 -2.596
167 1HB SER 24 1HB SER 24 -3.358 -9.768 -3.957
168 2HB SER 24 2HB SER 24 -4.729 -8.685 -4.185
169 HG SER 24 HG SER 24 -3.407 -7.196 -5.136
170 H ASP 25 H ASP 25 -5.371 -8.937 -1.144
171 HA ASP 25 HA ASP 25 -7.208 -6.813 -1.613
172 1HB ASP 25 1HB ASP 25 -7.925 -9.075 -0.948
173 2HB ASP 25 2HB ASP 25 -7.143 -8.865 0.613
174 H HIS 26 H HIS 26 -4.928 -7.586 0.945
175 HA HIS 26 HA HIS 26 -5.602 -5.450 2.684
176 1HB HIS 26 1HB HIS 26 -3.495 -7.479 2.510
177 2HB HIS 26 2HB HIS 26 -2.940 -5.951 3.187
178 HD1 HIS 26 HD1 HIS 26 -2.788 -6.529 5.629
179 HD2 HIS 26 HD2 HIS 26 -6.425 -7.620 3.929
180 HE1 HIS 26 HE1 HIS 26 -4.242 -7.264 7.550
181 HE2 HIS 26 HE2 HIS 26 -6.388 -8.064 6.478
182 H LEU 27 H LEU 27 -3.433 -5.766 -0.053
183 HA LEU 27 HA LEU 27 -2.011 -3.363 0.124
184 1HB LEU 27 1HB LEU 27 -1.691 -5.213 -1.578
185 2HB LEU 27 2HB LEU 27 -3.093 -4.588 -2.420
186 HG LEU 27 HG LEU 27 -1.949 -2.881 -3.349
187 1HD1 LEU 27 1HD1 LEU 27 -1.535 -1.943 -0.985
188 2HD1 LEU 27 2HD1 LEU 27 0.081 -2.622 -1.174
189 3HD1 LEU 27 3HD1 LEU 27 -0.505 -1.410 -2.312
190 1HD2 LEU 27 1HD2 LEU 27 -0.273 -5.149 -3.011
191 2HD2 LEU 27 2HD2 LEU 27 -0.341 -3.998 -4.348
192 3HD2 LEU 27 3HD2 LEU 27 0.717 -3.688 -2.973
193 H ALA 28 H ALA 28 -4.914 -4.018 -1.808
194 HA ALA 28 HA ALA 28 -5.455 -1.413 -2.552
195 1HB ALA 28 1HB ALA 28 -6.843 -2.623 -3.790
196 2HB ALA 28 2HB ALA 28 -6.835 -3.952 -2.632
197 3HB ALA 28 3HB ALA 28 -7.943 -2.599 -2.413
198 H LEU 29 H LEU 29 -6.404 -3.111 0.395
199 HA LEU 29 HA LEU 29 -8.306 -1.319 1.366
200 1HB LEU 29 1HB LEU 29 -6.325 -3.075 2.780
201 2HB LEU 29 2HB LEU 29 -7.490 -2.093 3.644
202 HG LEU 29 HG LEU 29 -8.326 -4.106 1.572
203 1HD1 LEU 29 1HD1 LEU 29 -8.925 -5.444 3.711
204 2HD1 LEU 29 2HD1 LEU 29 -7.282 -5.513 3.066
205 3HD1 LEU 29 3HD1 LEU 29 -7.645 -4.483 4.454
206 1HD2 LEU 29 1HD2 LEU 29 -10.428 -4.001 2.976
207 2HD2 LEU 29 2HD2 LEU 29 -9.720 -2.587 3.758
208 3HD2 LEU 29 3HD2 LEU 29 -10.049 -2.562 2.026
209 H HIS 30 H HIS 30 -4.785 -1.286 1.719
210 HA HIS 30 HA HIS 30 -4.772 1.195 3.187
211 1HB HIS 30 1HB HIS 30 -2.896 -0.074 3.711
212 2HB HIS 30 2HB HIS 30 -2.673 -0.625 2.058
213 HD1 HIS 30 HD1 HIS 30 -2.184 2.535 4.129
214 HD2 HIS 30 HD2 HIS 30 -0.805 0.721 0.653
215 HE1 HIS 30 HE1 HIS 30 -0.295 3.985 3.267
216 H ARG 31 H ARG 31 -4.343 0.163 -0.148
217 HA ARG 31 HA ARG 31 -3.356 2.664 -1.049
218 1HB ARG 31 1HB ARG 31 -4.409 0.227 -2.448
219 2HB ARG 31 2HB ARG 31 -4.008 1.690 -3.342
220 1HG ARG 31 1HG ARG 31 -1.740 1.512 -2.095
221 2HG ARG 31 2HG ARG 31 -2.217 -0.164 -1.843
222 1HD ARG 31 1HD ARG 31 -0.869 -0.040 -3.823
223 2HD ARG 31 2HD ARG 31 -2.531 -0.388 -4.297
224 HE ARG 31 HE ARG 31 -1.208 2.232 -4.554
225 1HH1 ARG 31 1HH1 ARG 31 -3.586 -0.120 -5.589
226 2HH1 ARG 31 2HH1 ARG 31 -4.158 0.852 -6.918
227 1HH2 ARG 31 1HH2 ARG 31 -1.933 3.508 -6.292
228 2HH2 ARG 31 2HH2 ARG 31 -3.218 2.929 -7.317
229 H LYS 32 H LYS 32 -6.378 1.829 -0.017
230 HA LYS 32 HA LYS 32 -8.049 3.146 -1.877
231 1HB LYS 32 1HB LYS 32 -8.317 1.909 0.721
232 2HB LYS 32 2HB LYS 32 -9.228 3.411 0.654
233 1HG LYS 32 1HG LYS 32 -10.438 1.275 0.000
234 2HG LYS 32 2HG LYS 32 -10.577 2.651 -1.095
235 1HD LYS 32 1HD LYS 32 -9.389 1.637 -2.739
236 2HD LYS 32 2HD LYS 32 -8.337 0.785 -1.600
237 1HE LYS 32 1HE LYS 32 -9.572 -0.944 -2.513
238 2HE LYS 32 2HE LYS 32 -10.481 -0.575 -1.049
239 1HZ LYS 32 1HZ LYS 32 -12.252 -0.020 -2.241
240 2HZ LYS 32 2HZ LYS 32 -11.472 -0.666 -3.599
241 3HZ LYS 32 3HZ LYS 32 -11.355 0.992 -3.268
242 H ARG 33 H ARG 33 -5.985 4.216 0.675
243 HA ARG 33 HA ARG 33 -7.044 6.888 0.794
244 1HB ARG 33 1HB ARG 33 -5.247 5.336 2.323
245 2HB ARG 33 2HB ARG 33 -4.333 6.716 1.731
246 1HG ARG 33 1HG ARG 33 -5.805 8.250 2.761
247 2HG ARG 33 2HG ARG 33 -6.989 6.988 3.100
248 1HD ARG 33 1HD ARG 33 -5.847 7.485 5.139
249 2HD ARG 33 2HD ARG 33 -5.307 5.902 4.580
250 HE ARG 33 HE ARG 33 -3.703 8.311 4.036
251 1HH1 ARG 33 1HH1 ARG 33 -4.051 5.119 5.419
252 2HH1 ARG 33 2HH1 ARG 33 -2.372 4.969 5.849
253 1HH2 ARG 33 1HH2 ARG 33 -1.474 8.131 4.600
254 2HH2 ARG 33 2HH2 ARG 33 -0.913 6.686 5.396
255 H HIS 34 H HIS 34 -5.248 5.204 -1.440
256 HA HIS 34 HA HIS 34 -3.831 7.605 -2.361
257 1HB HIS 34 1HB HIS 34 -3.526 4.708 -3.191
258 2HB HIS 34 2HB HIS 34 -2.617 6.050 -3.876
259 HD1 HIS 34 HD1 HIS 34 -1.617 7.541 -1.455
260 HD2 HIS 34 HD2 HIS 34 -1.843 3.390 -1.594
261 HE1 HIS 34 HE1 HIS 34 0.062 6.669 0.228
262 H MET 35 H MET 35 -6.747 6.251 -2.670
263 HA MET 35 HA MET 35 -7.014 6.534 -5.555
264 1HB MET 35 1HB MET 35 -9.251 6.033 -3.599
265 2HB MET 35 2HB MET 35 -9.226 5.693 -5.323
266 1HG MET 35 1HG MET 35 -7.239 4.324 -3.598
267 2HG MET 35 2HG MET 35 -8.920 3.802 -3.519
268 1HE MET 35 1HE MET 35 -6.343 2.376 -4.138
269 2HE MET 35 2HE MET 35 -7.423 1.145 -4.794
270 3HE MET 35 3HE MET 35 -6.118 1.789 -5.787
271 H LEU 36 H LEU 36 -7.453 8.349 -2.684
272 HA LEU 36 HA LEU 36 -8.570 10.546 -4.273
273 1HB LEU 36 1HB LEU 36 -9.234 10.152 -1.362
274 2HB LEU 36 2HB LEU 36 -9.981 11.254 -2.503
275 HG LEU 36 HG LEU 36 -10.247 8.419 -3.232
276 1HD1 LEU 36 1HD1 LEU 36 -11.069 7.604 -1.347
277 2HD1 LEU 36 2HD1 LEU 36 -10.648 9.106 -0.527
278 3HD1 LEU 36 3HD1 LEU 36 -12.242 8.916 -1.259
279 1HD2 LEU 36 1HD2 LEU 36 -12.300 9.091 -4.026
280 2HD2 LEU 36 2HD2 LEU 36 -12.475 10.361 -2.816
281 3HD2 LEU 36 3HD2 LEU 36 -11.367 10.579 -4.169
282 H VAL 37 H VAL 37 -6.508 11.370 -4.547
283 HA VAL 37 HA VAL 37 -4.943 11.902 -2.149
284 HB VAL 37 HB VAL 37 -4.163 12.278 -5.048
285 1HG1 VAL 37 1HG1 VAL 37 -2.041 11.943 -3.088
286 2HG1 VAL 37 2HG1 VAL 37 -2.224 13.148 -4.362
287 3HG1 VAL 37 3HG1 VAL 37 -3.013 13.386 -2.802
288 1HG2 VAL 37 1HG2 VAL 37 -3.393 10.155 -5.117
289 2HG2 VAL 37 2HG2 VAL 37 -2.914 10.162 -3.419
290 3HG2 VAL 37 3HG2 VAL 37 -4.602 9.892 -3.858
Start of MODEL 20
1 1H GLY 1 1H GLY 1 8.126 2.691 -2.851
2 2H GLY 1 2H GLY 1 8.629 2.398 -4.443
3 3H GLY 1 3H GLY 1 9.394 1.606 -3.153
4 1HA GLY 1 1HA GLY 1 7.893 -0.011 -3.084
5 2HA GLY 1 2HA GLY 1 6.572 1.149 -3.159
6 H SER 2 H SER 2 7.360 -1.485 -4.599
7 HA SER 2 HA SER 2 7.217 -2.414 -6.669
8 1HB SER 2 1HB SER 2 5.354 -0.063 -6.923
9 2HB SER 2 2HB SER 2 5.620 -1.164 -8.275
10 HG SER 2 HG SER 2 4.836 -2.853 -7.047
11 H THR 3 H THR 3 9.523 -1.182 -6.312
12 HA THR 3 HA THR 3 10.090 0.824 -8.249
13 HB THR 3 HB THR 3 12.480 -0.347 -7.258
14 HG1 THR 3 HG1 THR 3 11.943 -0.299 -4.980
15 1HG2 THR 3 1HG2 THR 3 12.773 1.748 -6.196
16 2HG2 THR 3 2HG2 THR 3 11.035 2.032 -6.118
17 3HG2 THR 3 3HG2 THR 3 11.869 2.085 -7.672
18 H ARG 4 H ARG 4 9.061 -1.524 -9.477
19 HA ARG 4 HA ARG 4 9.391 -2.936 -11.227
20 1HB ARG 4 1HB ARG 4 11.372 -0.739 -11.700
21 2HB ARG 4 2HB ARG 4 11.294 -2.102 -12.806
22 1HG ARG 4 1HG ARG 4 9.871 -0.671 -13.847
23 2HG ARG 4 2HG ARG 4 8.727 -1.520 -12.807
24 1HD ARG 4 1HD ARG 4 8.656 1.063 -12.911
25 2HD ARG 4 2HD ARG 4 8.531 0.264 -11.346
26 HE ARG 4 HE ARG 4 11.229 0.964 -12.052
27 1HH1 ARG 4 1HH1 ARG 4 8.255 2.135 -10.624
28 2HH1 ARG 4 2HH1 ARG 4 9.047 3.364 -9.672
29 1HH2 ARG 4 1HH2 ARG 4 12.265 2.584 -10.842
30 2HH2 ARG 4 2HH2 ARG 4 11.332 3.633 -9.812
31 H GLY 5 H GLY 5 10.108 -4.496 -9.493
32 1HA GLY 5 1HA GLY 5 11.427 -6.443 -9.413
33 2HA GLY 5 2HA GLY 5 12.676 -5.620 -10.335
34 H SER 6 H SER 6 11.408 -3.804 -7.796
35 HA SER 6 HA SER 6 13.526 -4.640 -5.952
36 1HB SER 6 1HB SER 6 12.838 -1.747 -6.511
37 2HB SER 6 2HB SER 6 14.148 -2.362 -5.507
38 HG SER 6 HG SER 6 14.732 -1.656 -7.692
39 H THR 7 H THR 7 10.812 -5.335 -5.943
40 HA THR 7 HA THR 7 9.446 -3.737 -3.946
41 HB THR 7 HB THR 7 8.129 -6.173 -4.140
42 HG1 THR 7 HG1 THR 7 8.711 -7.047 -5.979
43 1HG2 THR 7 1HG2 THR 7 6.521 -4.974 -5.521
44 2HG2 THR 7 2HG2 THR 7 7.726 -3.739 -5.886
45 3HG2 THR 7 3HG2 THR 7 7.120 -3.920 -4.240
46 H GLY 8 H GLY 8 10.587 -3.739 -2.140
47 1HA GLY 8 1HA GLY 8 12.262 -5.701 -1.229
48 2HA GLY 8 2HA GLY 8 11.537 -4.479 -0.199
49 H ILE 9 H ILE 9 9.757 -5.002 1.064
50 HA ILE 9 HA ILE 9 9.722 -7.798 1.794
51 HB ILE 9 HB ILE 9 7.943 -5.673 2.966
52 1HG1 ILE 9 1HG1 ILE 9 10.725 -6.255 3.964
53 2HG1 ILE 9 2HG1 ILE 9 10.419 -4.991 2.776
54 1HG2 ILE 9 1HG2 ILE 9 9.212 -8.140 4.149
55 2HG2 ILE 9 2HG2 ILE 9 8.181 -6.998 5.011
56 3HG2 ILE 9 3HG2 ILE 9 7.520 -7.956 3.685
57 1HD1 ILE 9 1HD1 ILE 9 10.465 -4.553 5.404
58 2HD1 ILE 9 2HD1 ILE 9 9.470 -3.615 4.289
59 3HD1 ILE 9 3HD1 ILE 9 8.754 -4.938 5.211
60 H LYS 10 H LYS 10 7.802 -9.058 2.053
61 HA LYS 10 HA LYS 10 5.908 -10.064 1.364
62 1HB LYS 10 1HB LYS 10 5.254 -7.264 1.961
63 2HB LYS 10 2HB LYS 10 4.007 -8.178 1.123
64 1HG LYS 10 1HG LYS 10 3.445 -9.238 2.991
65 2HG LYS 10 2HG LYS 10 5.113 -9.744 3.261
66 1HD LYS 10 1HD LYS 10 5.610 -7.641 4.351
67 2HD LYS 10 2HD LYS 10 3.986 -7.048 4.003
68 1HE LYS 10 1HE LYS 10 3.041 -8.267 5.660
69 2HE LYS 10 2HE LYS 10 4.169 -9.608 5.462
70 1HZ LYS 10 1HZ LYS 10 5.073 -7.034 6.596
71 2HZ LYS 10 2HZ LYS 10 5.755 -8.579 6.771
72 3HZ LYS 10 3HZ LYS 10 4.313 -8.196 7.574
73 HA PRO 11 HA PRO 11 5.466 -10.321 -2.965
74 1HB PRO 11 1HB PRO 11 3.012 -11.496 -3.150
75 2HB PRO 11 2HB PRO 11 4.472 -12.355 -2.652
76 1HG PRO 11 1HG PRO 11 2.300 -11.176 -0.963
77 2HG PRO 11 2HG PRO 11 3.112 -12.746 -0.803
78 1HD PRO 11 1HD PRO 11 3.768 -10.651 0.742
79 2HD PRO 11 2HD PRO 11 4.983 -11.820 0.189
80 H PHE 12 H PHE 12 3.173 -8.483 -1.132
81 HA PHE 12 HA PHE 12 2.398 -7.085 -3.597
82 1HB PHE 12 1HB PHE 12 0.585 -7.714 -1.258
83 2HB PHE 12 2HB PHE 12 0.144 -6.745 -2.663
84 HD1 PHE 12 HD1 PHE 12 0.151 -9.978 -1.256
85 HD2 PHE 12 HD2 PHE 12 0.387 -7.920 -4.971
86 HE1 PHE 12 HE1 PHE 12 -0.548 -12.022 -2.428
87 HE2 PHE 12 HE2 PHE 12 -0.314 -9.961 -6.153
88 HZ PHE 12 HZ PHE 12 -0.774 -12.019 -4.882
89 H GLN 13 H GLN 13 3.917 -5.509 -3.226
90 HA GLN 13 HA GLN 13 3.936 -3.985 -0.772
91 1HB GLN 13 1HB GLN 13 5.731 -4.617 -2.812
92 2HB GLN 13 2HB GLN 13 5.454 -2.892 -2.974
93 1HG GLN 13 1HG GLN 13 5.934 -2.869 -0.420
94 2HG GLN 13 2HG GLN 13 6.695 -4.423 -0.754
95 1HE2 GLN 13 1HE2 GLN 13 8.518 -2.982 0.109
96 2HE2 GLN 13 2HE2 GLN 13 9.470 -2.176 -1.095
97 H CYS 14 H CYS 14 3.567 -1.703 -0.692
98 HA CYS 14 HA CYS 14 1.541 -0.675 -2.465
99 1HB CYS 14 1HB CYS 14 1.516 0.169 -0.192
100 2HB CYS 14 2HB CYS 14 3.181 0.731 -0.345
101 HA PRO 15 HA PRO 15 4.548 0.658 -5.462
102 1HB PRO 15 1HB PRO 15 2.881 2.029 -7.088
103 2HB PRO 15 2HB PRO 15 2.904 0.263 -7.022
104 1HG PRO 15 1HG PRO 15 1.013 2.185 -5.731
105 2HG PRO 15 2HG PRO 15 0.668 0.645 -6.537
106 1HD PRO 15 1HD PRO 15 0.812 0.927 -3.827
107 2HD PRO 15 2HD PRO 15 1.179 -0.588 -4.673
108 H ASP 16 H ASP 16 2.930 2.636 -3.250
109 HA ASP 16 HA ASP 16 4.363 5.019 -4.250
110 1HB ASP 16 1HB ASP 16 1.793 5.033 -4.070
111 2HB ASP 16 2HB ASP 16 2.052 5.130 -2.333
112 H CYS 17 H CYS 17 3.737 3.019 -1.439
113 HA CYS 17 HA CYS 17 5.358 4.820 0.199
114 1HB CYS 17 1HB CYS 17 3.623 2.494 1.018
115 2HB CYS 17 2HB CYS 17 4.482 3.564 2.122
116 H ASP 18 H ASP 18 5.353 1.581 -1.027
117 HA ASP 18 HA ASP 18 6.927 -0.085 -1.086
118 1HB ASP 18 1HB ASP 18 9.130 0.251 -0.718
119 2HB ASP 18 2HB ASP 18 8.682 1.943 -0.647
120 H ARG 19 H ARG 19 4.860 0.818 0.880
121 HA ARG 19 HA ARG 19 5.228 -0.691 3.282
122 1HB ARG 19 1HB ARG 19 3.073 0.755 1.947
123 2HB ARG 19 2HB ARG 19 2.520 -0.749 2.675
124 1HG ARG 19 1HG ARG 19 3.229 -0.081 4.820
125 2HG ARG 19 2HG ARG 19 4.137 1.282 4.169
126 1HD ARG 19 1HD ARG 19 2.123 2.132 5.109
127 2HD ARG 19 2HD ARG 19 1.995 2.230 3.353
128 HE ARG 19 HE ARG 19 0.297 0.686 3.390
129 1HH1 ARG 19 1HH1 ARG 19 1.917 0.682 6.506
130 2HH1 ARG 19 2HH1 ARG 19 0.638 -0.159 7.324
131 1HH2 ARG 19 1HH2 ARG 19 -1.416 -0.407 4.503
132 2HH2 ARG 19 2HH2 ARG 19 -1.250 -0.774 6.195
133 H SER 20 H SER 20 4.112 -2.784 3.665
134 HA SER 20 HA SER 20 4.105 -4.355 1.168
135 1HB SER 20 1HB SER 20 5.329 -6.045 2.947
136 2HB SER 20 2HB SER 20 6.158 -5.046 1.751
137 HG SER 20 HG SER 20 6.428 -3.451 3.338
138 H PHE 21 H PHE 21 2.699 -5.952 0.974
139 HA PHE 21 HA PHE 21 1.210 -6.824 3.368
140 1HB PHE 21 1HB PHE 21 -0.178 -6.314 0.740
141 2HB PHE 21 2HB PHE 21 -0.892 -6.512 2.339
142 HD1 PHE 21 HD1 PHE 21 -1.027 -4.684 3.873
143 HD2 PHE 21 HD2 PHE 21 0.914 -4.224 0.114
144 HE1 PHE 21 HE1 PHE 21 -0.975 -2.251 4.197
145 HE2 PHE 21 HE2 PHE 21 0.960 -1.788 0.431
146 HZ PHE 21 HZ PHE 21 0.025 -0.805 2.475
147 H SER 22 H SER 22 0.413 -8.929 3.300
148 HA SER 22 HA SER 22 1.787 -10.676 1.429
149 1HB SER 22 1HB SER 22 0.021 -12.093 3.188
150 2HB SER 22 2HB SER 22 1.786 -12.058 3.206
151 HG SER 22 HG SER 22 1.658 -10.914 4.948
152 H ARG 23 H ARG 23 -1.147 -9.097 1.692
153 HA ARG 23 HA ARG 23 -2.437 -10.896 -0.255
154 1HB ARG 23 1HB ARG 23 -3.693 -9.286 1.977
155 2HB ARG 23 2HB ARG 23 -4.599 -10.111 0.715
156 1HG ARG 23 1HG ARG 23 -3.094 -12.139 1.636
157 2HG ARG 23 2HG ARG 23 -3.278 -11.177 3.108
158 1HD ARG 23 1HD ARG 23 -5.533 -12.058 1.328
159 2HD ARG 23 2HD ARG 23 -5.039 -12.896 2.798
160 HE ARG 23 HE ARG 23 -6.402 -10.321 2.597
161 1HH1 ARG 23 1HH1 ARG 23 -4.719 -12.610 4.655
162 2HH1 ARG 23 2HH1 ARG 23 -5.508 -12.079 6.112
163 1HH2 ARG 23 1HH2 ARG 23 -7.457 -9.631 4.504
164 2HH2 ARG 23 2HH2 ARG 23 -7.077 -10.400 6.024
165 H SER 24 H SER 24 -3.213 -10.072 -1.988
166 HA SER 24 HA SER 24 -2.530 -7.473 -2.843
167 1HB SER 24 1HB SER 24 -4.574 -8.454 -4.473
168 2HB SER 24 2HB SER 24 -2.841 -8.666 -4.713
169 HG SER 24 HG SER 24 -3.611 -10.695 -4.670
170 H ASP 25 H ASP 25 -5.291 -8.924 -1.321
171 HA ASP 25 HA ASP 25 -7.173 -6.868 -1.688
172 1HB ASP 25 1HB ASP 25 -8.425 -8.440 -0.719
173 2HB ASP 25 2HB ASP 25 -6.992 -9.388 -0.417
174 H HIS 26 H HIS 26 -4.716 -7.480 0.775
175 HA HIS 26 HA HIS 26 -5.467 -5.319 2.461
176 1HB HIS 26 1HB HIS 26 -3.335 -7.320 2.381
177 2HB HIS 26 2HB HIS 26 -2.813 -5.768 3.030
178 HD1 HIS 26 HD1 HIS 26 -2.751 -6.216 5.499
179 HD2 HIS 26 HD2 HIS 26 -6.287 -7.490 3.717
180 HE1 HIS 26 HE1 HIS 26 -4.255 -6.907 7.391
181 HE2 HIS 26 HE2 HIS 26 -6.465 -7.414 6.299
182 H LEU 27 H LEU 27 -3.381 -5.664 -0.298
183 HA LEU 27 HA LEU 27 -1.953 -3.244 -0.182
184 1HB LEU 27 1HB LEU 27 -1.687 -5.139 -1.877
185 2HB LEU 27 2HB LEU 27 -3.092 -4.483 -2.691
186 HG LEU 27 HG LEU 27 -1.938 -2.806 -3.634
187 1HD1 LEU 27 1HD1 LEU 27 -1.509 -1.836 -1.319
188 2HD1 LEU 27 2HD1 LEU 27 0.083 -2.590 -1.437
189 3HD1 LEU 27 3HD1 LEU 27 -0.410 -1.377 -2.620
190 1HD2 LEU 27 1HD2 LEU 27 0.360 -3.361 -4.160
191 2HD2 LEU 27 2HD2 LEU 27 0.389 -4.546 -2.852
192 3HD2 LEU 27 3HD2 LEU 27 -0.674 -4.789 -4.241
193 H ALA 28 H ALA 28 -4.928 -4.007 -1.963
194 HA ALA 28 HA ALA 28 -5.602 -1.426 -2.705
195 1HB ALA 28 1HB ALA 28 -6.959 -4.014 -2.584
196 2HB ALA 28 2HB ALA 28 -8.047 -2.633 -2.438
197 3HB ALA 28 3HB ALA 28 -6.983 -2.774 -3.839
198 H LEU 29 H LEU 29 -6.473 -3.188 0.257
199 HA LEU 29 HA LEU 29 -8.302 -1.407 1.338
200 1HB LEU 29 1HB LEU 29 -6.294 -3.215 2.632
201 2HB LEU 29 2HB LEU 29 -7.407 -2.240 3.570
202 HG LEU 29 HG LEU 29 -8.209 -4.331 1.554
203 1HD1 LEU 29 1HD1 LEU 29 -7.271 -4.644 4.166
204 2HD1 LEU 29 2HD1 LEU 29 -9.023 -4.822 4.259
205 3HD1 LEU 29 3HD1 LEU 29 -8.090 -5.844 3.165
206 1HD2 LEU 29 1HD2 LEU 29 -10.442 -3.991 2.768
207 2HD2 LEU 29 2HD2 LEU 29 -9.756 -2.458 3.305
208 3HD2 LEU 29 3HD2 LEU 29 -9.946 -2.781 1.582
209 H HIS 30 H HIS 30 -4.781 -1.394 1.579
210 HA HIS 30 HA HIS 30 -4.702 0.999 3.167
211 1HB HIS 30 1HB HIS 30 -2.786 -0.271 3.502
212 2HB HIS 30 2HB HIS 30 -2.666 -0.734 1.810
213 HD1 HIS 30 HD1 HIS 30 -2.196 2.414 3.921
214 HD2 HIS 30 HD2 HIS 30 -0.801 0.628 0.431
215 HE1 HIS 30 HE1 HIS 30 -0.369 3.920 3.023
216 H ARG 31 H ARG 31 -4.433 0.164 -0.230
217 HA ARG 31 HA ARG 31 -3.495 2.711 -1.030
218 1HB ARG 31 1HB ARG 31 -4.586 0.353 -2.547
219 2HB ARG 31 2HB ARG 31 -4.131 1.851 -3.353
220 1HG ARG 31 1HG ARG 31 -1.894 1.528 -2.066
221 2HG ARG 31 2HG ARG 31 -2.412 -0.152 -1.967
222 1HD ARG 31 1HD ARG 31 -1.062 0.037 -3.906
223 2HD ARG 31 2HD ARG 31 -2.736 -0.080 -4.464
224 HE ARG 31 HE ARG 31 -1.178 2.425 -4.335
225 1HH1 ARG 31 1HH1 ARG 31 -3.671 0.432 -5.795
226 2HH1 ARG 31 2HH1 ARG 31 -3.992 1.563 -7.076
227 1HH2 ARG 31 1HH2 ARG 31 -1.669 3.945 -5.967
228 2HH2 ARG 31 2HH2 ARG 31 -2.878 3.570 -7.162
229 H LYS 32 H LYS 32 -6.475 1.810 0.038
230 HA LYS 32 HA LYS 32 -8.193 3.257 -1.699
231 1HB LYS 32 1HB LYS 32 -8.408 1.840 0.809
232 2HB LYS 32 2HB LYS 32 -9.296 3.357 0.876
233 1HG LYS 32 1HG LYS 32 -10.635 1.390 0.138
234 2HG LYS 32 2HG LYS 32 -10.639 2.744 -0.993
235 1HD LYS 32 1HD LYS 32 -9.709 1.512 -2.610
236 2HD LYS 32 2HD LYS 32 -8.464 0.891 -1.518
237 1HE LYS 32 1HE LYS 32 -9.708 -0.981 -2.281
238 2HE LYS 32 2HE LYS 32 -10.199 -0.689 -0.614
239 1HZ LYS 32 1HZ LYS 32 -12.267 -0.022 -1.235
240 2HZ LYS 32 2HZ LYS 32 -11.945 -1.101 -2.508
241 3HZ LYS 32 3HZ LYS 32 -11.765 0.568 -2.746
242 H ARG 33 H ARG 33 -6.049 4.109 0.879
243 HA ARG 33 HA ARG 33 -7.048 6.763 1.245
244 1HB ARG 33 1HB ARG 33 -5.073 5.084 2.457
245 2HB ARG 33 2HB ARG 33 -4.328 6.616 2.022
246 1HG ARG 33 1HG ARG 33 -6.872 6.408 3.593
247 2HG ARG 33 2HG ARG 33 -5.266 6.525 4.320
248 1HD ARG 33 1HD ARG 33 -4.919 8.627 3.026
249 2HD ARG 33 2HD ARG 33 -6.606 8.528 2.519
250 HE ARG 33 HE ARG 33 -6.229 8.401 5.361
251 1HH1 ARG 33 1HH1 ARG 33 -6.537 10.579 2.638
252 2HH1 ARG 33 2HH1 ARG 33 -7.255 11.849 3.576
253 1HH2 ARG 33 1HH2 ARG 33 -7.139 10.092 6.607
254 2HH2 ARG 33 2HH2 ARG 33 -7.599 11.582 5.823
255 H HIS 34 H HIS 34 -5.121 5.195 -1.061
256 HA HIS 34 HA HIS 34 -3.829 7.648 -1.969
257 1HB HIS 34 1HB HIS 34 -3.735 4.806 -2.998
258 2HB HIS 34 2HB HIS 34 -2.923 6.153 -3.788
259 HD1 HIS 34 HD1 HIS 34 -1.230 7.505 -1.938
260 HD2 HIS 34 HD2 HIS 34 -2.100 3.480 -1.358
261 HE1 HIS 34 HE1 HIS 34 0.547 6.606 -0.383
262 H MET 35 H MET 35 -6.785 6.195 -2.224
263 HA MET 35 HA MET 35 -7.318 6.984 -4.975
264 1HB MET 35 1HB MET 35 -9.170 5.852 -2.874
265 2HB MET 35 2HB MET 35 -9.576 6.105 -4.566
266 1HG MET 35 1HG MET 35 -7.462 4.233 -3.525
267 2HG MET 35 2HG MET 35 -9.071 3.768 -4.074
268 1HE MET 35 1HE MET 35 -7.228 2.196 -4.930
269 2HE MET 35 2HE MET 35 -7.792 2.065 -6.596
270 3HE MET 35 3HE MET 35 -6.127 2.539 -6.266
271 H LEU 36 H LEU 36 -7.226 8.407 -1.973
272 HA LEU 36 HA LEU 36 -8.943 10.598 -2.905
273 1HB LEU 36 1HB LEU 36 -8.612 10.678 -0.053
274 2HB LEU 36 2HB LEU 36 -10.093 10.642 -0.990
275 HG LEU 36 HG LEU 36 -8.867 8.014 -0.834
276 1HD1 LEU 36 1HD1 LEU 36 -8.059 8.938 1.320
277 2HD1 LEU 36 2HD1 LEU 36 -9.735 9.258 1.768
278 3HD1 LEU 36 3HD1 LEU 36 -9.194 7.600 1.507
279 1HD2 LEU 36 1HD2 LEU 36 -11.542 9.165 -0.058
280 2HD2 LEU 36 2HD2 LEU 36 -11.134 8.326 -1.555
281 3HD2 LEU 36 3HD2 LEU 36 -11.148 7.446 -0.025
282 H VAL 37 H VAL 37 -6.528 10.599 -3.778
283 HA VAL 37 HA VAL 37 -4.916 12.187 -1.915
284 HB VAL 37 HB VAL 37 -4.086 9.881 -2.789
285 1HG1 VAL 37 1HG1 VAL 37 -3.833 9.641 -4.977
286 2HG1 VAL 37 2HG1 VAL 37 -4.287 11.323 -5.250
287 3HG1 VAL 37 3HG1 VAL 37 -2.600 10.903 -4.951
288 1HG2 VAL 37 1HG2 VAL 37 -2.308 12.309 -2.939
289 2HG2 VAL 37 2HG2 VAL 37 -2.749 11.439 -1.470
290 3HG2 VAL 37 3HG2 VAL 37 -1.776 10.644 -2.709