Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
592123 | 2myq RC | 25458 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 H1 ACE 1 0.000 0.000 0.000
2 H2 ACE 1 H2 ACE 1 0.890 0.000 -1.542
3 H3 ACE 1 H3 ACE 1 1.780 0.000 0.000
4 H SER 2 H SER 2 2.517 1.841 0.648
5 HA SER 2 HA SER 2 1.497 4.303 -0.559
6 HB2 SER 2 HB2 SER 2 1.711 3.781 2.409
7 HB3 SER 2 HB3 SER 2 1.622 5.405 1.728
8 HG SER 2 HG SER 2 -0.347 3.522 2.047
9 H LYS 3 H LYS 3 2.978 6.062 -0.505
10 HA LYS 3 HA LYS 3 5.655 5.346 -0.932
11 HB2 LYS 3 HB2 LYS 3 4.111 7.588 -1.378
12 HB3 LYS 3 HB3 LYS 3 5.259 8.142 -0.166
13 HG2 LYS 3 HG2 LYS 3 6.924 6.869 -1.863
14 HG3 LYS 3 HG3 LYS 3 5.678 7.422 -2.985
15 HD2 LYS 3 HD2 LYS 3 6.499 9.446 -1.039
16 HD3 LYS 3 HD3 LYS 3 7.802 8.913 -2.104
17 HE2 LYS 3 HE2 LYS 3 5.397 9.305 -3.618
18 HE3 LYS 3 HE3 LYS 3 5.749 10.749 -2.669
19 HZ1 LYS 3 HZ1 LYS 3 7.379 11.270 -4.053
20 HZ2 LYS 3 HZ2 LYS 3 6.927 9.979 -5.048
21 HZ3 LYS 3 HZ3 LYS 3 8.115 9.759 -3.863
22 H LEU 4 H LEU 4 4.206 7.141 1.786
23 HA LEU 4 HA LEU 4 4.969 7.582 3.889
24 HB2 LEU 4 HB2 LEU 4 4.500 5.119 3.936
25 HB3 LEU 4 HB3 LEU 4 6.220 4.853 3.659
26 HG LEU 4 HG LEU 4 6.074 6.543 5.887
27 HD11 LEU 4 HD11 LEU 4 4.322 4.197 6.460
28 HD12 LEU 4 HD12 LEU 4 3.614 5.684 5.830
29 HD13 LEU 4 HD13 LEU 4 4.507 5.708 7.350
30 HD21 LEU 4 HD21 LEU 4 6.898 3.796 5.234
31 HD22 LEU 4 HD22 LEU 4 6.572 4.102 6.940
32 HD23 LEU 4 HD23 LEU 4 7.768 5.075 6.082
33 H LEU 5 H LEU 5 6.627 8.591 1.847
34 HA LEU 5 HA LEU 5 9.373 8.032 2.539
35 HB2 LEU 5 HB2 LEU 5 8.725 8.569 0.239
36 HB3 LEU 5 HB3 LEU 5 8.188 10.163 0.765
37 HG LEU 5 HG LEU 5 10.961 9.652 1.465
38 HD11 LEU 5 HD11 LEU 5 11.465 8.488 -0.404
39 HD12 LEU 5 HD12 LEU 5 11.465 10.096 -1.128
40 HD13 LEU 5 HD13 LEU 5 10.045 9.061 -1.279
41 HD21 LEU 5 HD21 LEU 5 11.239 11.827 0.332
42 HD22 LEU 5 HD22 LEU 5 9.960 11.850 1.546
43 HD23 LEU 5 HD23 LEU 5 9.549 11.759 -0.168
44 H LEU 6 H LEU 6 6.956 10.442 3.284
45 HA LEU 6 HA LEU 6 8.624 12.444 4.324
46 HB2 LEU 6 HB2 LEU 6 5.769 11.715 4.543
47 HB3 LEU 6 HB3 LEU 6 6.413 12.750 5.817
48 HG LEU 6 HG LEU 6 5.318 14.013 4.006
49 HD11 LEU 6 HD11 LEU 6 8.025 14.394 4.977
50 HD12 LEU 6 HD12 LEU 6 6.706 15.553 4.815
51 HD13 LEU 6 HD13 LEU 6 7.742 15.199 3.433
52 HD21 LEU 6 HD21 LEU 6 6.108 12.327 2.237
53 HD22 LEU 6 HD22 LEU 6 7.610 13.253 2.227
54 HD23 LEU 6 HD23 LEU 6 6.086 14.037 1.805
55 H ASN 7 H ASN 7 7.157 9.604 5.832
56 HA ASN 7 HA ASN 7 7.806 10.129 8.488
57 HB2 ASN 7 HB2 ASN 7 6.463 8.157 7.316
58 HB3 ASN 7 HB3 ASN 7 8.005 7.324 7.490
59 HD21 ASN 7 HD21 ASN 7 7.883 6.016 9.159
60 HD22 ASN 7 HD22 ASN 7 7.227 6.403 10.710
61 H GLY 8 H GLY 8 9.803 9.090 5.843
62 HA2 GLY 8 HA2 GLY 8 12.007 8.371 7.620
63 HA3 GLY 8 HA3 GLY 8 11.982 8.198 5.872
64 H PHE 9 H PHE 9 11.164 10.855 5.258
65 HA PHE 9 HA PHE 9 13.686 12.136 5.238
66 HB2 PHE 9 HB2 PHE 9 11.411 12.387 3.767
67 HB3 PHE 9 HB3 PHE 9 11.316 13.830 4.771
68 HD1 PHE 9 HD2 PHE 9 13.649 15.133 4.944
69 HD2 PHE 9 HD1 PHE 9 12.461 12.588 1.746
70 HE1 PHE 9 HE2 PHE 9 15.233 16.277 3.449
71 HE2 PHE 9 HE1 PHE 9 14.045 13.727 0.246
72 HZ PHE 9 HZ PHE 9 15.432 15.575 1.097
73 H ASP 10 H ASP 10 10.982 12.254 7.400
74 HA ASP 10 HA ASP 10 11.275 14.715 8.618
75 HB2 ASP 10 HB2 ASP 10 9.699 12.552 9.061
76 HB3 ASP 10 HB3 ASP 10 10.769 12.458 10.457
77 H ASP 11 H ASP 11 12.833 11.658 9.585
78 HA ASP 11 HA ASP 11 14.382 12.672 11.662
79 HB2 ASP 11 HB2 ASP 11 13.994 10.211 10.746
80 HB3 ASP 11 HB3 ASP 11 15.525 10.526 9.933
81 H VAL 12 H VAL 12 14.794 12.923 8.232
82 HA VAL 12 HA VAL 12 17.569 13.705 8.369
83 HB VAL 12 HB VAL 12 15.650 13.955 6.050
84 HG11 VAL 12 HG11 VAL 12 17.544 15.364 5.712
85 HG12 VAL 12 HG12 VAL 12 18.654 14.097 6.238
86 HG13 VAL 12 HG13 VAL 12 17.771 13.924 4.720
87 HG21 VAL 12 HG21 VAL 12 15.687 11.670 6.486
88 HG22 VAL 12 HG22 VAL 12 16.964 11.871 5.286
89 HG23 VAL 12 HG23 VAL 12 17.377 11.694 6.991
90 H HIS 13 H HIS 13 14.450 15.306 7.885
91 HA HIS 13 HA HIS 13 15.348 17.876 7.323
92 HB2 HIS 13 HB2 HIS 13 12.865 16.632 8.040
93 HB3 HIS 13 HB3 HIS 13 13.042 18.131 8.947
94 HD1 HIS 13 HD1 HIS 13 12.574 20.260 7.719
95 HD2 HIS 13 HD2 HIS 13 13.000 17.013 5.162
96 HE1 HIS 13 HE1 HIS 13 11.934 21.111 5.441
97 H PHE 14 H PHE 14 15.331 16.122 10.307
98 HA PHE 14 HA PHE 14 15.764 18.493 11.924
99 HB2 PHE 14 HB2 PHE 14 14.437 16.489 12.712
100 HB3 PHE 14 HB3 PHE 14 15.959 15.608 12.795
101 HD1 PHE 14 HD1 PHE 14 15.150 19.112 13.748
102 HD2 PHE 14 HD2 PHE 14 16.370 15.244 15.038
103 HE1 PHE 14 HE1 PHE 14 15.529 19.991 16.015
104 HE2 PHE 14 HE2 PHE 14 16.750 16.116 17.307
105 HZ PHE 14 HZ PHE 14 16.328 18.492 17.798
106 H LEU 15 H LEU 15 17.589 15.697 10.769
107 HA LEU 15 HA LEU 15 19.952 16.020 12.157
108 HB2 LEU 15 HB2 LEU 15 19.158 14.819 9.595
109 HB3 LEU 15 HB3 LEU 15 20.863 15.247 9.718
110 HG LEU 15 HG LEU 15 19.368 13.410 11.589
111 HD11 LEU 15 HD11 LEU 15 19.617 12.114 9.718
112 HD12 LEU 15 HD12 LEU 15 21.158 11.816 10.523
113 HD13 LEU 15 HD13 LEU 15 21.069 12.963 9.186
114 HD21 LEU 15 HD21 LEU 15 22.109 13.055 11.868
115 HD22 LEU 15 HD22 LEU 15 21.021 13.842 13.013
116 HD23 LEU 15 HD23 LEU 15 21.890 14.804 11.816
117 H GLY 16 H GLY 16 18.806 17.742 9.303
118 HA2 GLY 16 HA2 GLY 16 21.112 19.037 8.498
119 HA3 GLY 16 HA3 GLY 16 19.499 19.724 8.370
120 H SER 17 H SER 17 18.654 20.552 10.590
121 HA SER 17 HA SER 17 20.132 22.762 11.329
122 HB2 SER 17 HB2 SER 17 17.766 21.368 12.361
123 HB3 SER 17 HB3 SER 17 18.653 22.263 13.595
124 HG SER 17 HG SER 17 16.949 23.372 12.220
125 H ASN 18 H ASN 18 20.283 19.496 12.556
126 HA ASN 18 HA ASN 18 21.776 20.067 14.902
127 HB2 ASN 18 HB2 ASN 18 20.563 17.818 13.807
128 HB3 ASN 18 HB3 ASN 18 22.280 17.430 13.771
129 HD21 ASN 18 HD21 ASN 18 19.512 17.984 15.740
130 HD22 ASN 18 HD22 ASN 18 20.230 17.545 17.250
131 H VAL 19 H VAL 19 22.742 18.800 11.715
132 HA VAL 19 HA VAL 19 25.476 18.630 12.157
133 HB VAL 19 HB VAL 19 24.187 19.431 9.546
134 HG11 VAL 19 HG11 VAL 19 26.114 18.372 8.522
135 HG12 VAL 19 HG12 VAL 19 26.638 19.638 9.634
136 HG13 VAL 19 HG13 VAL 19 26.750 17.943 10.109
137 HG21 VAL 19 HG21 VAL 19 24.744 16.668 9.602
138 HG22 VAL 19 HG22 VAL 19 23.864 17.042 11.084
139 HG23 VAL 19 HG23 VAL 19 23.169 17.457 9.518
140 H MET 20 H MET 20 23.482 21.418 11.602
141 HA MET 20 HA MET 20 25.702 23.165 10.994
142 HB2 MET 20 HB2 MET 20 23.510 23.588 9.994
143 HB3 MET 20 HB3 MET 20 22.803 23.782 11.592
144 HG2 MET 20 HG2 MET 20 24.497 25.677 11.899
145 HG3 MET 20 HG3 MET 20 24.707 25.587 10.152
146 HE1 MET 20 HE1 MET 20 23.450 27.345 12.749
147 HE2 MET 20 HE2 MET 20 22.001 28.204 12.225
148 HE3 MET 20 HE3 MET 20 21.859 26.629 13.007
149 H GLU 21 H GLU 21 23.652 22.413 13.759
150 HA GLU 21 HA GLU 21 24.619 24.493 15.432
151 HB2 GLU 21 HB2 GLU 21 22.514 23.499 15.971
152 HB3 GLU 21 HB3 GLU 21 23.218 21.889 16.024
153 HG2 GLU 21 HG2 GLU 21 23.793 22.105 18.156
154 HG3 GLU 21 HG3 GLU 21 24.504 23.695 17.886
155 H GLU 22 H GLU 22 25.720 21.270 14.687
156 HA GLU 22 HA GLU 22 27.576 21.131 16.881
157 HB2 GLU 22 HB2 GLU 22 28.371 19.076 15.793
158 HB3 GLU 22 HB3 GLU 22 26.621 19.085 15.969
159 HG2 GLU 22 HG2 GLU 22 26.358 19.675 13.637
160 HG3 GLU 22 HG3 GLU 22 28.107 19.768 13.442
161 H GLN 23 H GLN 23 27.683 22.022 13.487
162 HA GLN 23 HA GLN 23 30.561 22.281 13.472
163 HB2 GLN 23 HB2 GLN 23 28.575 21.981 11.515
164 HB3 GLN 23 HB3 GLN 23 29.241 23.588 11.259
165 HG2 GLN 23 HG2 GLN 23 31.529 22.452 11.353
166 HG3 GLN 23 HG3 GLN 23 30.640 20.943 11.157
167 HE21 GLN 23 HE21 GLN 23 29.007 21.023 9.310
168 HE22 GLN 23 HE22 GLN 23 29.569 21.720 7.833
169 H ASP 24 H ASP 24 27.823 24.269 14.120
170 HA ASP 24 HA ASP 24 29.165 26.776 13.682
171 HB2 ASP 24 HB2 ASP 24 26.703 26.521 13.457
172 HB3 ASP 24 HB3 ASP 24 26.602 26.220 15.189
173 H LEU 25 H LEU 25 28.778 24.546 16.305
174 HA LEU 25 HA LEU 25 29.610 26.448 18.324
175 HB2 LEU 25 HB2 LEU 25 28.367 23.874 18.273
176 HB3 LEU 25 HB3 LEU 25 29.797 23.805 19.300
177 HG LEU 25 HG LEU 25 28.901 25.705 20.609
178 HD11 LEU 25 HD11 LEU 25 26.310 25.952 20.210
179 HD12 LEU 25 HD12 LEU 25 26.753 25.510 18.562
180 HD13 LEU 25 HD13 LEU 25 27.473 26.932 19.316
181 HD21 LEU 25 HD21 LEU 25 27.668 24.349 21.954
182 HD22 LEU 25 HD22 LEU 25 28.363 23.119 20.898
183 HD23 LEU 25 HD23 LEU 25 26.719 23.696 20.617
184 H ARG 26 H ARG 26 31.044 24.067 16.256
185 HA ARG 26 HA ARG 26 33.538 24.047 17.764
186 HB2 ARG 26 HB2 ARG 26 34.258 22.314 16.281
187 HB3 ARG 26 HB3 ARG 26 32.598 21.959 16.740
188 HG2 ARG 26 HG2 ARG 26 32.236 21.675 14.563
189 HG3 ARG 26 HG3 ARG 26 32.276 23.436 14.457
190 HD2 ARG 26 HD2 ARG 26 33.751 22.550 12.792
191 HD3 ARG 26 HD3 ARG 26 34.729 23.290 14.059
192 HE ARG 26 HE ARG 26 34.638 20.715 14.829
193 HH11 ARG 26 HH12 ARG 26 35.391 22.232 11.787
194 HH12 ARG 26 HH11 ARG 26 36.490 20.989 11.290
195 HH21 ARG 26 HH22 ARG 26 36.083 19.071 14.186
196 HH22 ARG 26 HH21 ARG 26 36.882 19.191 12.655
197 H ASP 27 H ASP 27 32.129 25.482 14.937
198 HA ASP 27 HA ASP 27 34.487 26.208 13.576
199 HB2 ASP 27 HB2 ASP 27 32.334 26.287 12.462
200 HB3 ASP 27 HB3 ASP 27 31.757 27.508 13.594
201 H ILE 28 H ILE 28 32.685 27.730 16.180
202 HA ILE 28 HA ILE 28 33.845 30.258 16.162
203 HB ILE 28 HB ILE 28 32.975 28.659 18.572
204 HG12 ILE 28 HG12 ILE 28 31.389 30.776 17.131
205 HG13 ILE 28 HG13 ILE 28 31.305 29.082 16.659
206 HG21 ILE 28 HG21 ILE 28 33.386 31.627 18.230
207 HG22 ILE 28 HG22 ILE 28 32.702 30.846 19.655
208 HG23 ILE 28 HG23 ILE 28 34.378 30.539 19.200
209 HD11 ILE 28 HD11 ILE 28 30.637 28.562 19.014
210 HD12 ILE 28 HD12 ILE 28 30.508 30.300 19.285
211 HD13 ILE 28 HD13 ILE 28 29.474 29.514 18.092
212 H GLY 29 H GLY 29 35.150 27.202 17.162
213 HA2 GLY 29 HA2 GLY 29 37.367 28.429 18.597
214 HA3 GLY 29 HA3 GLY 29 37.080 26.707 18.394
215 H ILE 30 H ILE 30 36.682 27.206 15.434
216 HA ILE 30 HA ILE 30 39.518 27.051 14.752
217 HB ILE 30 HB ILE 30 37.181 26.529 12.922
218 HG12 ILE 30 HG12 ILE 30 38.691 24.558 14.652
219 HG13 ILE 30 HG13 ILE 30 37.029 25.078 14.907
220 HG21 ILE 30 HG21 ILE 30 38.742 26.215 11.380
221 HG22 ILE 30 HG22 ILE 30 39.995 26.612 12.555
222 HG23 ILE 30 HG23 ILE 30 39.462 24.942 12.365
223 HD11 ILE 30 HD11 ILE 30 36.527 24.148 12.616
224 HD12 ILE 30 HD12 ILE 30 38.127 23.407 12.672
225 HD13 ILE 30 HD13 ILE 30 36.911 22.973 13.873
226 H SER 31 H SER 31 37.074 29.330 14.788
227 HA SER 31 HA SER 31 38.310 30.863 12.597
228 HB2 SER 31 HB2 SER 31 35.562 30.362 13.266
229 HB3 SER 31 HB3 SER 31 35.882 32.093 13.377
230 HG SER 31 HG SER 31 36.242 30.379 11.156
231 H ASP 32 H ASP 32 38.385 30.573 15.844
232 HA ASP 32 HA ASP 32 38.032 33.071 16.949
233 HB2 ASP 32 HB2 ASP 32 39.380 30.640 17.674
234 HB3 ASP 32 HB3 ASP 32 40.376 32.020 18.130
235 HA PRO 33 HA PRO 33 41.085 35.765 15.319
236 HB2 PRO 33 HB2 PRO 33 41.692 37.281 17.488
237 HB3 PRO 33 HB3 PRO 33 40.160 37.419 16.618
238 HG2 PRO 33 HG2 PRO 33 40.772 35.951 19.154
239 HG3 PRO 33 HG3 PRO 33 39.371 36.963 18.758
240 HD2 PRO 33 HD2 PRO 33 39.283 34.258 18.677
241 HD3 PRO 33 HD3 PRO 33 38.327 35.278 17.582
242 H GLN 34 H GLN 34 41.987 34.500 18.529
243 HA GLN 34 HA GLN 34 44.718 34.915 18.398
244 HB2 GLN 34 HB2 GLN 34 43.121 32.742 19.744
245 HB3 GLN 34 HB3 GLN 34 44.860 32.902 19.948
246 HG2 GLN 34 HG2 GLN 34 43.720 35.441 20.423
247 HG3 GLN 34 HG3 GLN 34 42.767 34.254 21.312
248 HE21 GLN 34 HE21 GLN 34 45.077 36.353 21.784
249 HE22 GLN 34 HE22 GLN 34 46.072 35.530 22.932
250 H HIS 35 H HIS 35 42.770 32.530 16.798
251 HA HIS 35 HA HIS 35 44.595 30.545 16.208
252 HB2 HIS 35 HB2 HIS 35 42.023 31.088 15.460
253 HB3 HIS 35 HB3 HIS 35 42.883 31.309 13.939
254 HD1 HIS 35 HD1 HIS 35 40.927 29.006 14.172
255 HD2 HIS 35 HD2 HIS 35 44.963 28.669 15.098
256 HE1 HIS 35 HE1 HIS 35 41.464 26.559 13.957
257 H ARG 36 H ARG 36 44.222 33.716 14.736
258 HA ARG 36 HA ARG 36 45.931 33.299 12.528
259 HB2 ARG 36 HB2 ARG 36 45.022 35.770 13.990
260 HB3 ARG 36 HB3 ARG 36 46.133 35.858 12.630
261 HG2 ARG 36 HG2 ARG 36 44.031 34.247 11.754
262 HG3 ARG 36 HG3 ARG 36 43.275 35.570 12.644
263 HD2 ARG 36 HD2 ARG 36 45.176 36.879 11.186
264 HD3 ARG 36 HD3 ARG 36 44.701 35.586 10.086
265 HE ARG 36 HE ARG 36 43.188 37.891 10.741
266 HH11 ARG 36 HH12 ARG 36 42.871 34.494 10.046
267 HH12 ARG 36 HH11 ARG 36 41.259 34.637 9.429
268 HH21 ARG 36 HH22 ARG 36 41.065 38.092 9.931
269 HH22 ARG 36 HH21 ARG 36 40.233 36.685 9.363
270 H ARG 37 H ARG 37 46.513 34.415 15.826
271 HA ARG 37 HA ARG 37 49.252 35.078 15.407
272 HB2 ARG 37 HB2 ARG 37 47.422 34.857 17.726
273 HB3 ARG 37 HB3 ARG 37 49.137 34.670 18.068
274 HG2 ARG 37 HG2 ARG 37 49.617 36.837 17.579
275 HG3 ARG 37 HG3 ARG 37 48.316 36.973 16.394
276 HD2 ARG 37 HD2 ARG 37 46.729 36.795 18.394
277 HD3 ARG 37 HD3 ARG 37 48.150 37.112 19.388
278 HE ARG 37 HE ARG 37 47.781 39.030 17.285
279 HH11 ARG 37 HH12 ARG 37 46.889 38.152 20.534
280 HH12 ARG 37 HH11 ARG 37 46.483 39.771 20.999
281 HH21 ARG 37 HH22 ARG 37 47.249 41.165 17.886
282 HH22 ARG 37 HH21 ARG 37 46.687 41.484 19.492
283 H LYS 38 H LYS 38 47.534 32.172 16.306
284 HA LYS 38 HA LYS 38 49.938 30.750 17.055
285 HB2 LYS 38 HB2 LYS 38 47.091 29.809 16.669
286 HB3 LYS 38 HB3 LYS 38 48.404 28.797 17.256
287 HG2 LYS 38 HG2 LYS 38 48.677 30.323 19.176
288 HG3 LYS 38 HG3 LYS 38 47.287 31.249 18.602
289 HD2 LYS 38 HD2 LYS 38 46.402 28.613 18.646
290 HD3 LYS 38 HD3 LYS 38 47.371 28.779 20.113
291 HE2 LYS 38 HE2 LYS 38 46.069 30.708 20.787
292 HE3 LYS 38 HE3 LYS 38 45.149 30.644 19.285
293 HZ1 LYS 38 HZ1 LYS 38 43.784 29.601 20.818
294 HZ2 LYS 38 HZ2 LYS 38 45.060 28.793 21.580
295 HZ3 LYS 38 HZ3 LYS 38 44.539 28.296 20.050
296 H LEU 39 H LEU 39 48.099 31.313 14.202
297 HA LEU 39 HA LEU 39 49.212 29.027 12.793
298 HB2 LEU 39 HB2 LEU 39 46.849 29.981 12.503
299 HB3 LEU 39 HB3 LEU 39 47.623 31.256 11.564
300 HG LEU 39 HG LEU 39 48.456 28.673 10.609
301 HD11 LEU 39 HD11 LEU 39 46.225 28.053 11.607
302 HD12 LEU 39 HD12 LEU 39 46.407 27.746 9.881
303 HD13 LEU 39 HD13 LEU 39 45.491 29.147 10.434
304 HD21 LEU 39 HD21 LEU 39 46.675 30.518 9.096
305 HD22 LEU 39 HD22 LEU 39 48.104 29.634 8.561
306 HD23 LEU 39 HD23 LEU 39 48.282 31.079 9.558
307 H LEU 40 H LEU 40 49.868 32.373 13.272
308 HA LEU 40 HA LEU 40 51.397 32.810 10.907
309 HB2 LEU 40 HB2 LEU 40 50.519 34.326 13.136
310 HB3 LEU 40 HB3 LEU 40 52.269 34.504 13.022
311 HG LEU 40 HG LEU 40 51.130 36.307 11.855
312 HD11 LEU 40 HD11 LEU 40 52.310 36.188 9.781
313 HD12 LEU 40 HD12 LEU 40 52.380 34.428 9.860
314 HD13 LEU 40 HD13 LEU 40 53.293 35.398 11.015
315 HD21 LEU 40 HD21 LEU 40 49.345 34.292 11.082
316 HD22 LEU 40 HD22 LEU 40 50.127 34.838 9.598
317 HD23 LEU 40 HD23 LEU 40 49.299 35.998 10.638
318 H GLN 41 H GLN 41 52.279 32.141 14.289
319 HA GLN 41 HA GLN 41 55.070 32.030 13.794
320 HB2 GLN 41 HB2 GLN 41 53.262 31.473 16.052
321 HB3 GLN 41 HB3 GLN 41 54.752 30.539 16.052
322 HG2 GLN 41 HG2 GLN 41 55.561 32.310 17.156
323 HG3 GLN 41 HG3 GLN 41 55.732 32.990 15.539
324 HE21 GLN 41 HE21 GLN 41 55.412 34.412 18.008
325 HE22 GLN 41 HE22 GLN 41 53.957 35.333 17.877
326 H ALA 42 H ALA 42 52.493 29.758 13.435
327 HA ALA 42 HA ALA 42 54.248 27.452 13.339
328 HB1 ALA 42 HB1 ALA 42 52.219 26.838 14.231
329 HB2 ALA 42 HB2 ALA 42 51.301 27.873 13.136
330 HB3 ALA 42 HB3 ALA 42 52.008 26.370 12.544
331 H ALA 43 H ALA 43 52.704 29.666 11.134
332 HA ALA 43 HA ALA 43 53.275 28.030 8.808
333 HB1 ALA 43 HB1 ALA 43 52.166 30.828 9.011
334 HB2 ALA 43 HB2 ALA 43 52.275 29.868 7.535
335 HB3 ALA 43 HB3 ALA 43 51.227 29.344 8.852
336 H ARG 44 H ARG 44 54.755 30.576 10.608
337 HA ARG 44 HA ARG 44 56.419 31.622 8.562
338 HB2 ARG 44 HB2 ARG 44 56.391 31.749 11.550
339 HB3 ARG 44 HB3 ARG 44 57.829 32.282 10.689
340 HG2 ARG 44 HG2 ARG 44 55.684 33.493 9.372
341 HG3 ARG 44 HG3 ARG 44 55.334 33.641 11.095
342 HD2 ARG 44 HD2 ARG 44 57.621 34.550 11.425
343 HD3 ARG 44 HD3 ARG 44 57.848 34.511 9.677
344 HE ARG 44 HE ARG 44 55.516 35.956 10.245
345 HH11 ARG 44 HH12 ARG 44 58.967 36.205 10.633
346 HH12 ARG 44 HH11 ARG 44 58.979 37.936 10.583
347 HH21 ARG 44 HH22 ARG 44 55.519 38.236 10.178
348 HH22 ARG 44 HH21 ARG 44 57.017 39.091 10.325
349 HN1 NH2 45 HN1 NH2 45 56.725 28.955 10.851
350 HN2 NH2 45 HN2 NH2 45 58.233 28.348 10.253
Start of MODEL 2
1 H1 ACE 1 H1 ACE 1 7.637 6.798 -6.106
2 H2 ACE 1 H2 ACE 1 5.949 6.284 -5.868
3 H3 ACE 1 H3 ACE 1 6.421 7.969 -5.542
4 H SER 2 H SER 2 6.303 4.743 -4.396
5 HA SER 2 HA SER 2 6.590 3.812 -2.340
6 HB2 SER 2 HB2 SER 2 8.721 3.902 -1.603
7 HB3 SER 2 HB3 SER 2 9.007 4.967 -2.979
8 HG SER 2 HG SER 2 9.603 5.700 -0.736
9 H LYS 3 H LYS 3 6.642 4.347 0.083
10 HA LYS 3 HA LYS 3 5.084 6.803 0.561
11 HB2 LYS 3 HB2 LYS 3 4.402 4.054 1.059
12 HB3 LYS 3 HB3 LYS 3 4.476 4.928 2.583
13 HG2 LYS 3 HG2 LYS 3 3.060 6.408 0.526
14 HG3 LYS 3 HG3 LYS 3 2.335 4.833 0.856
15 HD2 LYS 3 HD2 LYS 3 1.660 5.438 2.920
16 HD3 LYS 3 HD3 LYS 3 3.130 6.360 3.240
17 HE2 LYS 3 HE2 LYS 3 1.039 7.352 1.330
18 HE3 LYS 3 HE3 LYS 3 0.908 7.638 3.065
19 HZ1 LYS 3 HZ1 LYS 3 2.519 9.170 3.012
20 HZ2 LYS 3 HZ2 LYS 3 2.205 9.245 1.352
21 HZ3 LYS 3 HZ3 LYS 3 3.481 8.296 1.929
22 H LEU 4 H LEU 4 8.017 5.666 0.972
23 HA LEU 4 HA LEU 4 8.302 6.388 3.798
24 HB2 LEU 4 HB2 LEU 4 10.008 4.903 1.843
25 HB3 LEU 4 HB3 LEU 4 10.734 5.621 3.280
26 HG LEU 4 HG LEU 4 10.283 3.271 3.645
27 HD11 LEU 4 HD11 LEU 4 8.172 4.678 5.223
28 HD12 LEU 4 HD12 LEU 4 9.869 5.113 5.425
29 HD13 LEU 4 HD13 LEU 4 9.338 3.461 5.742
30 HD21 LEU 4 HD21 LEU 4 7.354 3.851 3.279
31 HD22 LEU 4 HD22 LEU 4 8.144 2.286 3.477
32 HD23 LEU 4 HD23 LEU 4 8.369 3.206 1.988
33 H LEU 5 H LEU 5 7.818 8.313 1.586
34 HA LEU 5 HA LEU 5 10.334 9.808 1.544
35 HB2 LEU 5 HB2 LEU 5 8.408 9.372 -0.376
36 HB3 LEU 5 HB3 LEU 5 8.055 11.007 0.180
37 HG LEU 5 HG LEU 5 10.877 10.689 -0.325
38 HD11 LEU 5 HD11 LEU 5 10.281 8.997 -1.915
39 HD12 LEU 5 HD12 LEU 5 10.680 10.474 -2.791
40 HD13 LEU 5 HD13 LEU 5 8.994 10.005 -2.576
41 HD21 LEU 5 HD21 LEU 5 8.869 12.392 -1.780
42 HD22 LEU 5 HD22 LEU 5 10.589 12.699 -1.535
43 HD23 LEU 5 HD23 LEU 5 9.474 12.786 -0.170
44 H LEU 6 H LEU 6 8.584 9.531 3.929
45 HA LEU 6 HA LEU 6 8.454 12.366 4.572
46 HB2 LEU 6 HB2 LEU 6 6.122 10.626 4.240
47 HB3 LEU 6 HB3 LEU 6 6.161 11.494 5.773
48 HG LEU 6 HG LEU 6 6.693 13.188 3.447
49 HD11 LEU 6 HD11 LEU 6 4.971 11.391 2.700
50 HD12 LEU 6 HD12 LEU 6 4.649 13.095 2.385
51 HD13 LEU 6 HD13 LEU 6 3.861 12.285 3.739
52 HD21 LEU 6 HD21 LEU 6 6.350 14.225 5.536
53 HD22 LEU 6 HD22 LEU 6 4.906 13.266 5.864
54 HD23 LEU 6 HD23 LEU 6 4.874 14.511 4.615
55 H ASN 7 H ASN 7 7.658 9.134 5.855
56 HA ASN 7 HA ASN 7 8.276 9.808 8.540
57 HB2 ASN 7 HB2 ASN 7 7.148 7.610 7.190
58 HB3 ASN 7 HB3 ASN 7 8.565 6.984 8.027
59 HD21 ASN 7 HD21 ASN 7 5.405 7.248 8.337
60 HD22 ASN 7 HD22 ASN 7 5.250 7.437 10.047
61 H GLY 8 H GLY 8 10.161 8.682 5.844
62 HA2 GLY 8 HA2 GLY 8 12.442 8.026 7.546
63 HA3 GLY 8 HA3 GLY 8 12.344 7.802 5.805
64 H PHE 9 H PHE 9 11.311 10.607 5.519
65 HA PHE 9 HA PHE 9 13.909 11.855 5.301
66 HB2 PHE 9 HB2 PHE 9 11.737 11.975 3.721
67 HB3 PHE 9 HB3 PHE 9 11.448 13.406 4.706
68 HD1 PHE 9 HD2 PHE 9 14.418 11.830 3.076
69 HD2 PHE 9 HD1 PHE 9 12.111 15.351 3.709
70 HE1 PHE 9 HE2 PHE 9 15.986 13.106 1.673
71 HE2 PHE 9 HE1 PHE 9 13.675 16.632 2.306
72 HZ PHE 9 HZ PHE 9 15.616 15.510 1.287
73 H ASP 10 H ASP 10 11.150 12.000 7.392
74 HA ASP 10 HA ASP 10 11.355 14.516 8.508
75 HB2 ASP 10 HB2 ASP 10 9.627 12.701 8.990
76 HB3 ASP 10 HB3 ASP 10 10.789 12.043 10.139
77 H ASP 11 H ASP 11 13.058 11.556 9.498
78 HA ASP 11 HA ASP 11 14.504 12.681 11.618
79 HB2 ASP 11 HB2 ASP 11 14.406 10.179 10.245
80 HB3 ASP 11 HB3 ASP 11 16.094 10.662 10.394
81 H VAL 12 H VAL 12 14.965 12.840 8.188
82 HA VAL 12 HA VAL 12 17.710 13.716 8.342
83 HB VAL 12 HB VAL 12 15.809 13.810 5.996
84 HG11 VAL 12 HG11 VAL 12 18.095 13.729 4.776
85 HG12 VAL 12 HG12 VAL 12 17.523 15.264 5.433
86 HG13 VAL 12 HG13 VAL 12 18.739 14.328 6.304
87 HG21 VAL 12 HG21 VAL 12 16.996 11.763 5.260
88 HG22 VAL 12 HG22 VAL 12 17.823 11.720 6.817
89 HG23 VAL 12 HG23 VAL 12 16.071 11.532 6.744
90 H HIS 13 H HIS 13 14.551 15.202 7.751
91 HA HIS 13 HA HIS 13 15.376 17.781 7.130
92 HB2 HIS 13 HB2 HIS 13 12.924 16.480 7.814
93 HB3 HIS 13 HB3 HIS 13 13.032 17.982 8.727
94 HD1 HIS 13 HD1 HIS 13 12.018 19.881 7.534
95 HD2 HIS 13 HD2 HIS 13 13.604 17.088 4.898
96 HE1 HIS 13 HE1 HIS 13 11.522 20.769 5.234
97 H PHE 14 H PHE 14 15.354 16.120 10.169
98 HA PHE 14 HA PHE 14 15.682 18.547 11.722
99 HB2 PHE 14 HB2 PHE 14 14.427 16.498 12.537
100 HB3 PHE 14 HB3 PHE 14 15.991 15.703 12.687
101 HD1 PHE 14 HD1 PHE 14 14.017 18.609 13.865
102 HD2 PHE 14 HD2 PHE 14 17.318 16.019 14.583
103 HE1 PHE 14 HE1 PHE 14 14.289 19.582 16.108
104 HE2 PHE 14 HE2 PHE 14 17.594 16.987 16.828
105 HZ PHE 14 HZ PHE 14 16.078 18.771 17.594
106 H LEU 15 H LEU 15 17.641 15.998 10.370
107 HA LEU 15 HA LEU 15 19.972 16.256 11.852
108 HB2 LEU 15 HB2 LEU 15 19.177 15.082 9.365
109 HB3 LEU 15 HB3 LEU 15 20.740 15.872 9.167
110 HG LEU 15 HG LEU 15 20.116 13.790 11.260
111 HD11 LEU 15 HD11 LEU 15 20.687 13.518 8.470
112 HD12 LEU 15 HD12 LEU 15 20.389 12.267 9.675
113 HD13 LEU 15 HD13 LEU 15 22.026 12.870 9.417
114 HD21 LEU 15 HD21 LEU 15 22.024 15.652 11.428
115 HD22 LEU 15 HD22 LEU 15 22.875 14.471 10.432
116 HD23 LEU 15 HD23 LEU 15 22.244 14.002 12.012
117 H GLY 16 H GLY 16 18.768 18.214 9.182
118 HA2 GLY 16 HA2 GLY 16 21.017 19.683 8.535
119 HA3 GLY 16 HA3 GLY 16 19.377 20.310 8.467
120 H SER 17 H SER 17 18.491 20.849 10.766
121 HA SER 17 HA SER 17 19.861 23.039 11.739
122 HB2 SER 17 HB2 SER 17 17.540 21.475 12.550
123 HB3 SER 17 HB3 SER 17 18.404 22.145 13.933
124 HG SER 17 HG SER 17 17.990 24.148 13.249
125 H ASN 18 H ASN 18 20.203 19.674 12.583
126 HA ASN 18 HA ASN 18 21.673 20.071 14.988
127 HB2 ASN 18 HB2 ASN 18 20.584 17.881 13.615
128 HB3 ASN 18 HB3 ASN 18 22.319 17.585 13.655
129 HD21 ASN 18 HD21 ASN 18 19.597 16.889 15.201
130 HD22 ASN 18 HD22 ASN 18 20.177 16.716 16.819
131 H VAL 19 H VAL 19 22.662 19.191 11.680
132 HA VAL 19 HA VAL 19 25.411 19.110 12.106
133 HB VAL 19 HB VAL 19 24.071 20.058 9.572
134 HG11 VAL 19 HG11 VAL 19 26.764 18.868 10.183
135 HG12 VAL 19 HG12 VAL 19 26.085 18.905 8.555
136 HG13 VAL 19 HG13 VAL 19 26.400 20.413 9.415
137 HG21 VAL 19 HG21 VAL 19 23.916 17.515 10.907
138 HG22 VAL 19 HG22 VAL 19 23.110 18.057 9.435
139 HG23 VAL 19 HG23 VAL 19 24.721 17.346 9.348
140 H MET 20 H MET 20 23.267 21.820 11.824
141 HA MET 20 HA MET 20 25.394 23.727 11.356
142 HB2 MET 20 HB2 MET 20 23.189 24.113 10.370
143 HB3 MET 20 HB3 MET 20 22.463 24.140 11.972
144 HG2 MET 20 HG2 MET 20 24.052 26.090 12.447
145 HG3 MET 20 HG3 MET 20 24.276 26.153 10.701
146 HE1 MET 20 HE1 MET 20 21.913 28.550 12.972
147 HE2 MET 20 HE2 MET 20 20.986 27.120 13.426
148 HE3 MET 20 HE3 MET 20 22.741 27.126 13.603
149 H GLU 21 H GLU 21 23.348 22.671 14.027
150 HA GLU 21 HA GLU 21 24.237 24.649 15.868
151 HB2 GLU 21 HB2 GLU 21 22.143 23.585 16.295
152 HB3 GLU 21 HB3 GLU 21 22.870 21.985 16.235
153 HG2 GLU 21 HG2 GLU 21 23.473 22.054 18.378
154 HG3 GLU 21 HG3 GLU 21 24.057 23.712 18.257
155 H GLU 22 H GLU 22 25.461 21.568 14.838
156 HA GLU 22 HA GLU 22 27.261 21.265 17.072
157 HB2 GLU 22 HB2 GLU 22 28.033 19.280 15.976
158 HB3 GLU 22 HB3 GLU 22 26.282 19.331 15.823
159 HG2 GLU 22 HG2 GLU 22 26.467 20.102 13.542
160 HG3 GLU 22 HG3 GLU 22 28.223 20.174 13.683
161 H GLN 23 H GLN 23 27.392 22.487 13.791
162 HA GLN 23 HA GLN 23 30.271 22.807 13.860
163 HB2 GLN 23 HB2 GLN 23 28.372 22.563 11.830
164 HB3 GLN 23 HB3 GLN 23 28.925 24.228 11.719
165 HG2 GLN 23 HG2 GLN 23 31.286 23.262 11.777
166 HG3 GLN 23 HG3 GLN 23 30.521 21.707 11.457
167 HE21 GLN 23 HE21 GLN 23 28.884 21.829 9.593
168 HE22 GLN 23 HE22 GLN 23 29.429 22.655 8.177
169 H ASP 24 H ASP 24 27.442 24.667 14.539
170 HA ASP 24 HA ASP 24 28.697 27.238 14.328
171 HB2 ASP 24 HB2 ASP 24 26.248 26.903 14.060
172 HB3 ASP 24 HB3 ASP 24 26.147 26.478 15.767
173 H LEU 25 H LEU 25 28.242 24.854 16.835
174 HA LEU 25 HA LEU 25 28.965 26.595 18.997
175 HB2 LEU 25 HB2 LEU 25 28.106 23.850 18.655
176 HB3 LEU 25 HB3 LEU 25 29.412 23.984 19.831
177 HG LEU 25 HG LEU 25 27.298 24.044 20.975
178 HD11 LEU 25 HD11 LEU 25 28.212 26.896 20.957
179 HD12 LEU 25 HD12 LEU 25 29.238 25.613 21.598
180 HD13 LEU 25 HD13 LEU 25 27.653 25.913 22.310
181 HD21 LEU 25 HD21 LEU 25 25.644 24.729 19.559
182 HD22 LEU 25 HD22 LEU 25 26.621 26.019 18.859
183 HD23 LEU 25 HD23 LEU 25 25.900 26.226 20.456
184 H ARG 26 H ARG 26 30.665 24.690 16.688
185 HA ARG 26 HA ARG 26 33.137 24.779 18.251
186 HB2 ARG 26 HB2 ARG 26 34.025 23.184 16.760
187 HB3 ARG 26 HB3 ARG 26 32.357 22.689 17.016
188 HG2 ARG 26 HG2 ARG 26 31.722 23.702 14.891
189 HG3 ARG 26 HG3 ARG 26 33.390 24.217 14.636
190 HD2 ARG 26 HD2 ARG 26 32.291 21.419 14.712
191 HD3 ARG 26 HD3 ARG 26 33.110 22.234 13.380
192 HE ARG 26 HE ARG 26 34.985 22.211 15.325
193 HH11 ARG 26 HH12 ARG 26 32.977 19.739 13.919
194 HH12 ARG 26 HH11 ARG 26 34.131 18.472 14.174
195 HH21 ARG 26 HH22 ARG 26 36.513 20.552 15.666
196 HH22 ARG 26 HH21 ARG 26 36.142 18.936 15.169
197 H ASP 27 H ASP 27 31.639 26.113 15.387
198 HA ASP 27 HA ASP 27 33.813 27.181 14.057
199 HB2 ASP 27 HB2 ASP 27 31.523 27.249 13.174
200 HB3 ASP 27 HB3 ASP 27 31.078 28.428 14.405
201 H ILE 28 H ILE 28 32.121 28.409 16.891
202 HA ILE 28 HA ILE 28 33.201 30.960 17.043
203 HB ILE 28 HB ILE 28 32.600 29.134 19.373
204 HG12 ILE 28 HG12 ILE 28 30.816 31.087 17.903
205 HG13 ILE 28 HG13 ILE 28 30.690 29.333 17.841
206 HG21 ILE 28 HG21 ILE 28 32.732 32.142 19.205
207 HG22 ILE 28 HG22 ILE 28 32.259 31.207 20.624
208 HG23 ILE 28 HG23 ILE 28 33.905 31.094 20.002
209 HD11 ILE 28 HD11 ILE 28 29.036 29.968 19.337
210 HD12 ILE 28 HD12 ILE 28 30.369 29.470 20.379
211 HD13 ILE 28 HD13 ILE 28 30.059 31.184 20.101
212 H GLY 29 H GLY 29 34.681 27.883 17.656
213 HA2 GLY 29 HA2 GLY 29 37.007 29.166 18.907
214 HA3 GLY 29 HA3 GLY 29 36.682 27.440 18.870
215 H ILE 30 H ILE 30 35.961 27.960 15.891
216 HA ILE 30 HA ILE 30 38.677 27.474 14.939
217 HB ILE 30 HB ILE 30 36.078 27.253 13.418
218 HG12 ILE 30 HG12 ILE 30 37.718 25.037 14.661
219 HG13 ILE 30 HG13 ILE 30 36.268 25.715 15.395
220 HG21 ILE 30 HG21 ILE 30 37.872 27.511 11.891
221 HG22 ILE 30 HG22 ILE 30 38.896 26.402 12.801
222 HG23 ILE 30 HG23 ILE 30 37.490 25.790 11.931
223 HD11 ILE 30 HD11 ILE 30 35.144 25.088 13.152
224 HD12 ILE 30 HD12 ILE 30 36.538 24.027 12.952
225 HD13 ILE 30 HD13 ILE 30 35.472 23.830 14.343
226 H SER 31 H SER 31 36.388 29.983 15.066
227 HA SER 31 HA SER 31 37.706 31.420 12.862
228 HB2 SER 31 HB2 SER 31 34.957 31.192 13.664
229 HB3 SER 31 HB3 SER 31 35.455 32.881 13.765
230 HG SER 31 HG SER 31 34.771 32.505 11.685
231 H ASP 32 H ASP 32 37.927 31.092 16.093
232 HA ASP 32 HA ASP 32 37.872 33.597 17.236
233 HB2 ASP 32 HB2 ASP 32 39.021 31.042 17.865
234 HB3 ASP 32 HB3 ASP 32 40.175 32.312 18.264
235 HA PRO 33 HA PRO 33 41.060 36.018 15.441
236 HB2 PRO 33 HB2 PRO 33 41.910 37.462 17.577
237 HB3 PRO 33 HB3 PRO 33 40.353 37.740 16.788
238 HG2 PRO 33 HG2 PRO 33 40.964 36.210 19.288
239 HG3 PRO 33 HG3 PRO 33 39.640 37.344 18.966
240 HD2 PRO 33 HD2 PRO 33 39.308 34.658 18.887
241 HD3 PRO 33 HD3 PRO 33 38.390 35.764 17.845
242 H GLN 34 H GLN 34 42.013 34.665 18.601
243 HA GLN 34 HA GLN 34 44.758 34.837 18.334
244 HB2 GLN 34 HB2 GLN 34 43.040 32.804 19.747
245 HB3 GLN 34 HB3 GLN 34 44.795 32.794 19.857
246 HG2 GLN 34 HG2 GLN 34 44.479 35.281 20.572
247 HG3 GLN 34 HG3 GLN 34 42.839 34.757 20.949
248 HE21 GLN 34 HE21 GLN 34 43.754 35.513 23.100
249 HE22 GLN 34 HE22 GLN 34 44.482 34.297 24.089
250 H HIS 35 H HIS 35 42.533 32.644 16.819
251 HA HIS 35 HA HIS 35 44.144 30.516 16.127
252 HB2 HIS 35 HB2 HIS 35 41.598 31.292 15.507
253 HB3 HIS 35 HB3 HIS 35 42.402 31.454 13.948
254 HD1 HIS 35 HD1 HIS 35 40.264 29.330 14.252
255 HD2 HIS 35 HD2 HIS 35 44.292 28.628 14.988
256 HE1 HIS 35 HE1 HIS 35 40.572 26.848 13.993
257 H ARG 36 H ARG 36 43.900 33.687 14.593
258 HA ARG 36 HA ARG 36 45.524 33.125 12.359
259 HB2 ARG 36 HB2 ARG 36 44.298 35.458 13.576
260 HB3 ARG 36 HB3 ARG 36 45.895 35.827 12.939
261 HG2 ARG 36 HG2 ARG 36 43.911 34.350 11.264
262 HG3 ARG 36 HG3 ARG 36 43.824 36.105 11.422
263 HD2 ARG 36 HD2 ARG 36 46.479 34.957 10.809
264 HD3 ARG 36 HD3 ARG 36 45.266 34.866 9.532
265 HE ARG 36 HE ARG 36 46.611 37.217 10.477
266 HH11 ARG 36 HH12 ARG 36 43.734 36.003 8.940
267 HH12 ARG 36 HH11 ARG 36 43.370 37.498 8.144
268 HH21 ARG 36 HH22 ARG 36 46.143 39.192 9.435
269 HH22 ARG 36 HH21 ARG 36 44.742 39.311 8.426
270 H ARG 37 H ARG 37 46.263 34.210 15.624
271 HA ARG 37 HA ARG 37 49.019 34.749 15.108
272 HB2 ARG 37 HB2 ARG 37 47.770 34.143 17.788
273 HB3 ARG 37 HB3 ARG 37 49.236 35.062 17.469
274 HG2 ARG 37 HG2 ARG 37 47.182 36.344 16.048
275 HG3 ARG 37 HG3 ARG 37 46.531 35.970 17.646
276 HD2 ARG 37 HD2 ARG 37 48.074 37.285 18.731
277 HD3 ARG 37 HD3 ARG 37 49.262 37.144 17.436
278 HE ARG 37 HE ARG 37 46.931 38.578 16.619
279 HH11 ARG 37 HH12 ARG 37 49.951 38.855 18.329
280 HH12 ARG 37 HH11 ARG 37 50.107 40.556 18.042
281 HH21 ARG 37 HH22 ARG 37 47.125 40.818 16.235
282 HH22 ARG 37 HH21 ARG 37 48.499 41.672 16.852
283 H LYS 38 H LYS 38 47.181 31.954 16.127
284 HA LYS 38 HA LYS 38 49.529 30.419 16.821
285 HB2 LYS 38 HB2 LYS 38 46.765 30.234 17.345
286 HB3 LYS 38 HB3 LYS 38 47.181 28.802 16.412
287 HG2 LYS 38 HG2 LYS 38 47.572 28.034 18.519
288 HG3 LYS 38 HG3 LYS 38 49.172 28.669 18.126
289 HD2 LYS 38 HD2 LYS 38 48.997 29.823 20.036
290 HD3 LYS 38 HD3 LYS 38 47.883 30.868 19.150
291 HE2 LYS 38 HE2 LYS 38 46.717 30.295 21.094
292 HE3 LYS 38 HE3 LYS 38 46.063 29.218 19.861
293 HZ1 LYS 38 HZ1 LYS 38 48.265 27.960 21.035
294 HZ2 LYS 38 HZ2 LYS 38 46.638 27.505 21.114
295 HZ3 LYS 38 HZ3 LYS 38 47.285 28.538 22.287
296 H LEU 39 H LEU 39 47.632 31.028 14.013
297 HA LEU 39 HA LEU 39 48.591 28.668 12.612
298 HB2 LEU 39 HB2 LEU 39 46.266 29.794 12.395
299 HB3 LEU 39 HB3 LEU 39 47.101 30.929 11.336
300 HG LEU 39 HG LEU 39 47.830 28.858 10.010
301 HD11 LEU 39 HD11 LEU 39 46.181 27.654 12.071
302 HD12 LEU 39 HD12 LEU 39 47.297 26.903 10.932
303 HD13 LEU 39 HD13 LEU 39 45.636 27.241 10.446
304 HD21 LEU 39 HD21 LEU 39 45.728 28.842 8.753
305 HD22 LEU 39 HD22 LEU 39 46.210 30.481 9.194
306 HD23 LEU 39 HD23 LEU 39 44.925 29.668 10.089
307 H LEU 40 H LEU 40 49.420 31.985 13.014
308 HA LEU 40 HA LEU 40 50.896 32.301 10.593
309 HB2 LEU 40 HB2 LEU 40 50.003 34.199 11.860
310 HB3 LEU 40 HB3 LEU 40 51.087 33.813 13.195
311 HG LEU 40 HG LEU 40 52.786 34.118 11.029
312 HD11 LEU 40 HD11 LEU 40 52.201 36.117 9.911
313 HD12 LEU 40 HD12 LEU 40 50.822 36.395 10.975
314 HD13 LEU 40 HD13 LEU 40 50.789 35.065 9.817
315 HD21 LEU 40 HD21 LEU 40 52.042 36.289 12.974
316 HD22 LEU 40 HD22 LEU 40 53.606 35.996 12.214
317 HD23 LEU 40 HD23 LEU 40 52.991 34.873 13.428
318 H GLN 41 H GLN 41 51.821 31.638 13.961
319 HA GLN 41 HA GLN 41 54.597 31.414 13.411
320 HB2 GLN 41 HB2 GLN 41 52.954 31.412 15.696
321 HB3 GLN 41 HB3 GLN 41 53.810 29.875 15.716
322 HG2 GLN 41 HG2 GLN 41 55.931 30.990 15.632
323 HG3 GLN 41 HG3 GLN 41 55.145 32.554 15.420
324 HE21 GLN 41 HE21 GLN 41 55.503 29.851 17.653
325 HE22 GLN 41 HE22 GLN 41 55.265 30.773 19.094
326 H ALA 42 H ALA 42 51.922 29.243 13.145
327 HA ALA 42 HA ALA 42 53.584 26.869 13.040
328 HB1 ALA 42 HB1 ALA 42 50.627 27.308 12.684
329 HB2 ALA 42 HB2 ALA 42 51.405 25.736 12.499
330 HB3 ALA 42 HB3 ALA 42 51.458 26.569 14.053
331 H ALA 43 H ALA 43 52.063 29.108 10.845
332 HA ALA 43 HA ALA 43 52.493 27.419 8.529
333 HB1 ALA 43 HB1 ALA 43 51.491 29.210 7.255
334 HB2 ALA 43 HB2 ALA 43 50.514 28.885 8.687
335 HB3 ALA 43 HB3 ALA 43 51.579 30.290 8.648
336 H ARG 44 H ARG 44 54.147 29.912 10.248
337 HA ARG 44 HA ARG 44 55.797 30.851 8.140
338 HB2 ARG 44 HB2 ARG 44 55.866 31.016 11.124
339 HB3 ARG 44 HB3 ARG 44 57.301 31.468 10.214
340 HG2 ARG 44 HG2 ARG 44 55.154 32.757 8.956
341 HG3 ARG 44 HG3 ARG 44 54.908 32.963 10.691
342 HD2 ARG 44 HD2 ARG 44 56.235 34.785 10.108
343 HD3 ARG 44 HD3 ARG 44 57.390 33.622 10.756
344 HE ARG 44 HE ARG 44 58.390 33.573 8.710
345 HH11 ARG 44 HH12 ARG 44 55.128 34.724 8.319
346 HH12 ARG 44 HH11 ARG 44 55.311 35.061 6.629
347 HH21 ARG 44 HH22 ARG 44 58.644 34.013 6.487
348 HH22 ARG 44 HH21 ARG 44 57.311 34.656 5.588
349 HN1 NH2 45 HN1 NH2 45 56.044 28.202 10.456
350 HN2 NH2 45 HN2 NH2 45 57.501 27.514 9.822
Start of MODEL 3
1 H1 ACE 1 H1 ACE 1 8.284 9.021 -4.858
2 H2 ACE 1 H2 ACE 1 8.921 9.675 -3.330
3 H3 ACE 1 H3 ACE 1 8.895 7.916 -3.604
4 H SER 2 H SER 2 7.604 7.251 -2.044
5 HA SER 2 HA SER 2 4.807 8.131 -2.167
6 HB2 SER 2 HB2 SER 2 5.727 5.700 -0.665
7 HB3 SER 2 HB3 SER 2 4.168 6.012 -1.426
8 HG SER 2 HG SER 2 6.625 5.548 -2.773
9 H LYS 3 H LYS 3 3.722 7.616 0.137
10 HA LYS 3 HA LYS 3 4.522 9.671 1.846
11 HB2 LYS 3 HB2 LYS 3 3.019 8.502 3.530
12 HB3 LYS 3 HB3 LYS 3 2.278 8.940 1.997
13 HG2 LYS 3 HG2 LYS 3 3.403 6.279 1.908
14 HG3 LYS 3 HG3 LYS 3 2.234 6.455 3.218
15 HD2 LYS 3 HD2 LYS 3 0.488 6.771 1.798
16 HD3 LYS 3 HD3 LYS 3 1.478 7.596 0.592
17 HE2 LYS 3 HE2 LYS 3 1.837 5.706 -0.541
18 HE3 LYS 3 HE3 LYS 3 2.232 4.811 0.925
19 HZ1 LYS 3 HZ1 LYS 3 -0.577 5.459 0.487
20 HZ2 LYS 3 HZ2 LYS 3 0.122 4.070 1.152
21 HZ3 LYS 3 HZ3 LYS 3 0.099 4.285 -0.526
22 H LEU 4 H LEU 4 5.449 6.306 1.729
23 HA LEU 4 HA LEU 4 6.536 6.004 4.282
24 HB2 LEU 4 HB2 LEU 4 6.624 4.614 1.755
25 HB3 LEU 4 HB3 LEU 4 8.193 4.565 2.556
26 HG LEU 4 HG LEU 4 6.224 3.917 4.490
27 HD11 LEU 4 HD11 LEU 4 4.873 2.327 3.587
28 HD12 LEU 4 HD12 LEU 4 6.010 1.928 2.300
29 HD13 LEU 4 HD13 LEU 4 5.027 3.387 2.186
30 HD21 LEU 4 HD21 LEU 4 7.553 2.042 4.828
31 HD22 LEU 4 HD22 LEU 4 8.685 3.214 4.151
32 HD23 LEU 4 HD23 LEU 4 8.016 1.940 3.129
33 H LEU 5 H LEU 5 7.809 7.555 1.418
34 HA LEU 5 HA LEU 5 10.494 7.775 2.350
35 HB2 LEU 5 HB2 LEU 5 9.096 8.316 -0.021
36 HB3 LEU 5 HB3 LEU 5 9.774 9.856 0.503
37 HG LEU 5 HG LEU 5 11.789 7.833 0.679
38 HD11 LEU 5 HD11 LEU 5 10.191 6.841 -1.095
39 HD12 LEU 5 HD12 LEU 5 11.913 6.945 -1.455
40 HD13 LEU 5 HD13 LEU 5 10.799 8.135 -2.128
41 HD21 LEU 5 HD21 LEU 5 11.595 10.090 -1.298
42 HD22 LEU 5 HD22 LEU 5 13.043 9.369 -0.598
43 HD23 LEU 5 HD23 LEU 5 11.972 10.347 0.405
44 H LEU 6 H LEU 6 7.604 9.718 2.660
45 HA LEU 6 HA LEU 6 8.769 12.130 3.490
46 HB2 LEU 6 HB2 LEU 6 6.232 11.252 3.035
47 HB3 LEU 6 HB3 LEU 6 6.239 11.407 4.791
48 HG LEU 6 HG LEU 6 7.074 13.785 4.418
49 HD11 LEU 6 HD11 LEU 6 7.670 14.246 2.317
50 HD12 LEU 6 HD12 LEU 6 5.942 14.385 1.996
51 HD13 LEU 6 HD13 LEU 6 6.780 12.869 1.666
52 HD21 LEU 6 HD21 LEU 6 4.578 12.748 4.696
53 HD22 LEU 6 HD22 LEU 6 4.399 13.692 3.217
54 HD23 LEU 6 HD23 LEU 6 4.955 14.471 4.699
55 H ASN 7 H ASN 7 7.749 9.281 5.330
56 HA ASN 7 HA ASN 7 8.261 10.338 7.892
57 HB2 ASN 7 HB2 ASN 7 7.445 7.828 6.773
58 HB3 ASN 7 HB3 ASN 7 8.721 7.540 7.953
59 HD21 ASN 7 HD21 ASN 7 7.713 6.823 9.699
60 HD22 ASN 7 HD22 ASN 7 6.389 7.605 10.487
61 H GLY 8 H GLY 8 10.331 9.003 5.449
62 HA2 GLY 8 HA2 GLY 8 12.547 8.534 7.246
63 HA3 GLY 8 HA3 GLY 8 12.572 8.391 5.495
64 H PHE 9 H PHE 9 11.650 10.980 4.852
65 HA PHE 9 HA PHE 9 14.063 12.413 4.881
66 HB2 PHE 9 HB2 PHE 9 11.852 12.594 3.392
67 HB3 PHE 9 HB3 PHE 9 11.512 13.903 4.520
68 HD1 PHE 9 HD1 PHE 9 14.553 12.684 2.728
69 HD2 PHE 9 HD2 PHE 9 11.998 15.960 3.651
70 HE1 PHE 9 HE1 PHE 9 16.005 14.181 1.422
71 HE2 PHE 9 HE2 PHE 9 13.445 17.462 2.346
72 HZ PHE 9 HZ PHE 9 15.452 16.572 1.228
73 H ASP 10 H ASP 10 11.393 12.332 7.093
74 HA ASP 10 HA ASP 10 11.603 14.757 8.395
75 HB2 ASP 10 HB2 ASP 10 9.974 12.774 8.785
76 HB3 ASP 10 HB3 ASP 10 11.182 12.213 9.938
77 H ASP 11 H ASP 11 13.382 11.758 9.103
78 HA ASP 11 HA ASP 11 14.903 12.749 11.234
79 HB2 ASP 11 HB2 ASP 11 14.718 10.355 10.716
80 HB3 ASP 11 HB3 ASP 11 15.639 10.601 9.234
81 H VAL 12 H VAL 12 15.219 13.171 7.810
82 HA VAL 12 HA VAL 12 17.955 14.081 7.916
83 HB VAL 12 HB VAL 12 15.956 14.337 5.666
84 HG11 VAL 12 HG11 VAL 12 18.960 14.595 5.718
85 HG12 VAL 12 HG12 VAL 12 17.971 14.572 4.257
86 HG13 VAL 12 HG13 VAL 12 17.795 15.885 5.421
87 HG21 VAL 12 HG21 VAL 12 17.437 12.062 6.689
88 HG22 VAL 12 HG22 VAL 12 16.134 12.119 5.502
89 HG23 VAL 12 HG23 VAL 12 17.802 12.389 4.995
90 H HIS 13 H HIS 13 14.754 15.558 7.578
91 HA HIS 13 HA HIS 13 15.519 18.190 7.128
92 HB2 HIS 13 HB2 HIS 13 13.115 16.801 7.804
93 HB3 HIS 13 HB3 HIS 13 13.242 18.224 8.832
94 HD1 HIS 13 HD1 HIS 13 12.160 20.201 7.842
95 HD2 HIS 13 HD2 HIS 13 13.658 17.653 4.923
96 HE1 HIS 13 HE1 HIS 13 11.555 21.266 5.646
97 H PHE 14 H PHE 14 15.649 16.296 10.024
98 HA PHE 14 HA PHE 14 16.035 18.611 11.736
99 HB2 PHE 14 HB2 PHE 14 14.768 16.636 12.543
100 HB3 PHE 14 HB3 PHE 14 16.231 15.667 12.404
101 HD1 PHE 14 HD1 PHE 14 15.273 18.953 13.899
102 HD2 PHE 14 HD2 PHE 14 17.290 15.236 14.382
103 HE1 PHE 14 HE1 PHE 14 15.914 19.601 16.185
104 HE2 PHE 14 HE2 PHE 14 17.933 15.878 16.668
105 HZ PHE 14 HZ PHE 14 17.244 18.063 17.573
106 H LEU 15 H LEU 15 17.918 16.158 10.130
107 HA LEU 15 HA LEU 15 20.302 16.300 11.553
108 HB2 LEU 15 HB2 LEU 15 19.475 15.473 8.864
109 HB3 LEU 15 HB3 LEU 15 21.162 15.965 8.990
110 HG LEU 15 HG LEU 15 19.857 13.815 10.658
111 HD11 LEU 15 HD11 LEU 15 20.032 13.222 8.270
112 HD12 LEU 15 HD12 LEU 15 21.071 12.236 9.298
113 HD13 LEU 15 HD13 LEU 15 21.764 13.544 8.339
114 HD21 LEU 15 HD21 LEU 15 22.641 14.921 10.496
115 HD22 LEU 15 HD22 LEU 15 22.333 13.278 11.058
116 HD23 LEU 15 HD23 LEU 15 21.635 14.651 11.919
117 H GLY 16 H GLY 16 19.074 18.371 8.967
118 HA2 GLY 16 HA2 GLY 16 21.326 19.870 8.395
119 HA3 GLY 16 HA3 GLY 16 19.684 20.492 8.329
120 H SER 17 H SER 17 18.766 20.965 10.622
121 HA SER 17 HA SER 17 20.124 23.117 11.689
122 HB2 SER 17 HB2 SER 17 18.041 21.312 12.923
123 HB3 SER 17 HB3 SER 17 18.633 22.768 13.721
124 HG SER 17 HG SER 17 16.881 22.504 11.640
125 H ASN 18 H ASN 18 20.419 19.723 12.454
126 HA ASN 18 HA ASN 18 21.845 20.032 14.890
127 HB2 ASN 18 HB2 ASN 18 20.821 17.889 13.368
128 HB3 ASN 18 HB3 ASN 18 22.551 17.597 13.524
129 HD21 ASN 18 HD21 ASN 18 19.802 16.715 14.814
130 HD22 ASN 18 HD22 ASN 18 20.237 16.546 16.477
131 H VAL 19 H VAL 19 22.919 19.264 11.581
132 HA VAL 19 HA VAL 19 25.651 19.160 12.052
133 HB VAL 19 HB VAL 19 24.363 20.256 9.551
134 HG11 VAL 19 HG11 VAL 19 26.448 18.986 8.608
135 HG12 VAL 19 HG12 VAL 19 26.617 20.617 9.260
136 HG13 VAL 19 HG13 VAL 19 27.076 19.223 10.238
137 HG21 VAL 19 HG21 VAL 19 25.028 17.562 9.186
138 HG22 VAL 19 HG22 VAL 19 24.188 17.640 10.735
139 HG23 VAL 19 HG23 VAL 19 23.413 18.264 9.279
140 H MET 20 H MET 20 23.533 21.904 11.846
141 HA MET 20 HA MET 20 25.674 23.819 11.530
142 HB2 MET 20 HB2 MET 20 23.476 24.276 10.558
143 HB3 MET 20 HB3 MET 20 22.742 24.213 12.154
144 HG2 MET 20 HG2 MET 20 24.340 26.121 12.753
145 HG3 MET 20 HG3 MET 20 24.573 26.287 11.014
146 HE1 MET 20 HE1 MET 20 21.826 28.757 13.108
147 HE2 MET 20 HE2 MET 20 23.178 27.817 13.739
148 HE3 MET 20 HE3 MET 20 23.434 28.944 12.406
149 H GLU 21 H GLU 21 23.620 22.606 14.125
150 HA GLU 21 HA GLU 21 24.470 24.471 16.088
151 HB2 GLU 21 HB2 GLU 21 22.408 23.322 16.447
152 HB3 GLU 21 HB3 GLU 21 23.181 21.752 16.284
153 HG2 GLU 21 HG2 GLU 21 23.713 21.685 18.436
154 HG3 GLU 21 HG3 GLU 21 24.371 23.319 18.404
155 H GLU 22 H GLU 22 25.716 21.417 14.943
156 HA GLU 22 HA GLU 22 27.549 21.059 17.126
157 HB2 GLU 22 HB2 GLU 22 28.455 19.215 15.779
158 HB3 GLU 22 HB3 GLU 22 26.704 19.124 15.908
159 HG2 GLU 22 HG2 GLU 22 26.458 20.025 13.678
160 HG3 GLU 22 HG3 GLU 22 28.204 20.228 13.544
161 H GLN 23 H GLN 23 27.665 22.434 13.899
162 HA GLN 23 HA GLN 23 30.528 22.809 13.970
163 HB2 GLN 23 HB2 GLN 23 28.566 22.748 11.964
164 HB3 GLN 23 HB3 GLN 23 29.182 24.395 11.967
165 HG2 GLN 23 HG2 GLN 23 31.504 23.333 11.913
166 HG3 GLN 23 HG3 GLN 23 30.669 21.842 11.482
167 HE21 GLN 23 HE21 GLN 23 29.084 22.102 9.636
168 HE22 GLN 23 HE22 GLN 23 29.617 23.048 8.292
169 H ASP 24 H ASP 24 27.683 24.609 14.786
170 HA ASP 24 HA ASP 24 28.969 27.179 14.809
171 HB2 ASP 24 HB2 ASP 24 26.505 26.831 14.447
172 HB3 ASP 24 HB3 ASP 24 26.376 26.390 16.147
173 H LEU 25 H LEU 25 28.447 24.592 17.077
174 HA LEU 25 HA LEU 25 29.132 26.164 19.393
175 HB2 LEU 25 HB2 LEU 25 28.688 23.228 18.932
176 HB3 LEU 25 HB3 LEU 25 29.219 23.867 20.486
177 HG LEU 25 HG LEU 25 26.698 24.848 19.188
178 HD11 LEU 25 HD11 LEU 25 26.751 22.595 21.166
179 HD12 LEU 25 HD12 LEU 25 26.781 22.300 19.428
180 HD13 LEU 25 HD13 LEU 25 25.419 23.153 20.153
181 HD21 LEU 25 HD21 LEU 25 27.806 24.789 21.985
182 HD22 LEU 25 HD22 LEU 25 26.118 25.158 21.630
183 HD23 LEU 25 HD23 LEU 25 27.399 26.194 21.000
184 H ARG 26 H ARG 26 30.820 24.391 16.989
185 HA ARG 26 HA ARG 26 33.238 24.226 18.633
186 HB2 ARG 26 HB2 ARG 26 34.107 22.714 17.034
187 HB3 ARG 26 HB3 ARG 26 32.421 22.262 17.246
188 HG2 ARG 26 HG2 ARG 26 31.894 23.592 15.195
189 HG3 ARG 26 HG3 ARG 26 33.632 23.786 14.955
190 HD2 ARG 26 HD2 ARG 26 32.015 21.251 14.918
191 HD3 ARG 26 HD3 ARG 26 32.978 21.950 13.616
192 HE ARG 26 HE ARG 26 34.750 21.459 15.657
193 HH11 ARG 26 HH12 ARG 26 32.528 19.577 13.750
194 HH12 ARG 26 HH11 ARG 26 33.470 18.126 13.846
195 HH21 ARG 26 HH22 ARG 26 35.999 19.555 15.792
196 HH22 ARG 26 HH21 ARG 26 35.444 18.114 15.009
197 H ASP 27 H ASP 27 31.901 25.826 15.825
198 HA ASP 27 HA ASP 27 34.224 26.899 14.716
199 HB2 ASP 27 HB2 ASP 27 31.338 27.569 14.651
200 HB3 ASP 27 HB3 ASP 27 32.446 28.859 14.193
201 H ILE 28 H ILE 28 32.404 27.839 17.535
202 HA ILE 28 HA ILE 28 33.262 30.449 17.905
203 HB ILE 28 HB ILE 28 32.785 28.361 20.035
204 HG12 ILE 28 HG12 ILE 28 30.847 30.493 19.185
205 HG13 ILE 28 HG13 ILE 28 30.941 28.972 18.303
206 HG21 ILE 28 HG21 ILE 28 32.239 30.415 21.421
207 HG22 ILE 28 HG22 ILE 28 33.943 30.130 21.071
208 HG23 ILE 28 HG23 ILE 28 33.050 31.351 20.165
209 HD11 ILE 28 HD11 ILE 28 29.572 28.076 19.783
210 HD12 ILE 28 HD12 ILE 28 30.790 28.320 21.034
211 HD13 ILE 28 HD13 ILE 28 29.577 29.563 20.730
212 H GLY 29 H GLY 29 35.005 27.470 18.270
213 HA2 GLY 29 HA2 GLY 29 37.284 28.961 19.415
214 HA3 GLY 29 HA3 GLY 29 37.010 27.241 19.651
215 H ILE 30 H ILE 30 36.247 28.110 16.510
216 HA ILE 30 HA ILE 30 38.915 27.275 15.572
217 HB ILE 30 HB ILE 30 36.258 26.770 14.227
218 HG12 ILE 30 HG12 ILE 30 38.115 24.734 15.458
219 HG13 ILE 30 HG13 ILE 30 36.777 25.454 16.347
220 HG21 ILE 30 HG21 ILE 30 38.098 25.102 13.082
221 HG22 ILE 30 HG22 ILE 30 37.539 26.628 12.399
222 HG23 ILE 30 HG23 ILE 30 39.032 26.576 13.336
223 HD11 ILE 30 HD11 ILE 30 35.535 24.615 14.082
224 HD12 ILE 30 HD12 ILE 30 36.774 23.377 14.296
225 HD13 ILE 30 HD13 ILE 30 35.621 23.705 15.590
226 H SER 31 H SER 31 36.482 29.667 15.456
227 HA SER 31 HA SER 31 37.708 30.911 13.088
228 HB2 SER 31 HB2 SER 31 34.981 30.630 13.947
229 HB3 SER 31 HB3 SER 31 35.386 32.343 13.847
230 HG SER 31 HG SER 31 35.091 32.083 11.787
231 H ASP 32 H ASP 32 37.977 30.970 16.329
232 HA ASP 32 HA ASP 32 37.790 33.583 17.180
233 HB2 ASP 32 HB2 ASP 32 39.083 31.185 18.081
234 HB3 ASP 32 HB3 ASP 32 40.170 32.552 18.313
235 HA PRO 33 HA PRO 33 40.821 35.952 15.072
236 HB2 PRO 33 HB2 PRO 33 41.605 37.679 17.015
237 HB3 PRO 33 HB3 PRO 33 40.029 37.777 16.221
238 HG2 PRO 33 HG2 PRO 33 40.744 36.583 18.872
239 HG3 PRO 33 HG3 PRO 33 39.355 37.597 18.440
240 HD2 PRO 33 HD2 PRO 33 39.175 34.906 18.676
241 HD3 PRO 33 HD3 PRO 33 38.188 35.832 17.527
242 H GLN 34 H GLN 34 41.874 35.032 18.354
243 HA GLN 34 HA GLN 34 44.602 35.323 18.029
244 HB2 GLN 34 HB2 GLN 34 43.023 33.361 19.688
245 HB3 GLN 34 HB3 GLN 34 44.775 33.490 19.783
246 HG2 GLN 34 HG2 GLN 34 44.185 36.047 20.156
247 HG3 GLN 34 HG3 GLN 34 42.676 35.347 20.739
248 HE21 GLN 34 HE21 GLN 34 42.659 34.189 22.628
249 HE22 GLN 34 HE22 GLN 34 44.006 34.122 23.707
250 H HIS 35 H HIS 35 42.494 32.848 16.811
251 HA HIS 35 HA HIS 35 44.217 30.746 16.346
252 HB2 HIS 35 HB2 HIS 35 41.627 31.302 15.676
253 HB3 HIS 35 HB3 HIS 35 42.407 31.329 14.098
254 HD1 HIS 35 HD1 HIS 35 40.396 29.138 14.675
255 HD2 HIS 35 HD2 HIS 35 44.464 28.750 15.428
256 HE1 HIS 35 HE1 HIS 35 40.843 26.663 14.697
257 H ARG 36 H ARG 36 43.675 33.615 14.329
258 HA ARG 36 HA ARG 36 45.376 32.893 12.218
259 HB2 ARG 36 HB2 ARG 36 44.006 35.310 13.131
260 HB3 ARG 36 HB3 ARG 36 45.530 35.647 12.321
261 HG2 ARG 36 HG2 ARG 36 44.816 34.573 10.334
262 HG3 ARG 36 HG3 ARG 36 43.401 33.889 11.137
263 HD2 ARG 36 HD2 ARG 36 43.410 36.739 11.441
264 HD3 ARG 36 HD3 ARG 36 43.592 36.322 9.738
265 HE ARG 36 HE ARG 36 41.263 35.934 11.382
266 HH11 ARG 36 HH12 ARG 36 42.964 34.914 8.521
267 HH12 ARG 36 HH11 ARG 36 41.545 34.302 7.738
268 HH21 ARG 36 HH22 ARG 36 39.387 35.132 10.361
269 HH22 ARG 36 HH21 ARG 36 39.511 34.427 8.785
270 H ARG 37 H ARG 37 46.019 34.286 15.351
271 HA ARG 37 HA ARG 37 48.715 35.068 14.731
272 HB2 ARG 37 HB2 ARG 37 47.553 34.672 17.485
273 HB3 ARG 37 HB3 ARG 37 48.892 35.711 17.015
274 HG2 ARG 37 HG2 ARG 37 46.028 36.111 16.176
275 HG3 ARG 37 HG3 ARG 37 46.824 36.953 17.507
276 HD2 ARG 37 HD2 ARG 37 48.467 37.181 15.199
277 HD3 ARG 37 HD3 ARG 37 46.818 37.606 14.743
278 HE ARG 37 HE ARG 37 47.228 38.981 17.050
279 HH11 ARG 37 HH12 ARG 37 48.928 38.756 14.020
280 HH12 ARG 37 HH11 ARG 37 49.543 40.374 14.096
281 HH21 ARG 37 HH22 ARG 37 48.032 41.113 17.161
282 HH22 ARG 37 HH21 ARG 37 49.033 41.713 15.883
283 H LYS 38 H LYS 38 47.126 32.274 16.120
284 HA LYS 38 HA LYS 38 49.597 31.040 16.960
285 HB2 LYS 38 HB2 LYS 38 46.743 30.525 17.267
286 HB3 LYS 38 HB3 LYS 38 47.658 29.059 16.941
287 HG2 LYS 38 HG2 LYS 38 47.883 29.053 19.179
288 HG3 LYS 38 HG3 LYS 38 49.223 30.146 18.824
289 HD2 LYS 38 HD2 LYS 38 48.207 31.866 19.827
290 HD3 LYS 38 HD3 LYS 38 46.677 31.536 19.012
291 HE2 LYS 38 HE2 LYS 38 46.318 31.317 21.363
292 HE3 LYS 38 HE3 LYS 38 46.285 29.701 20.660
293 HZ1 LYS 38 HZ1 LYS 38 48.782 29.714 21.295
294 HZ2 LYS 38 HZ2 LYS 38 47.620 29.403 22.484
295 HZ3 LYS 38 HZ3 LYS 38 48.329 30.935 22.375
296 H LEU 39 H LEU 39 47.652 31.136 14.121
297 HA LEU 39 HA LEU 39 48.819 28.716 13.007
298 HB2 LEU 39 HB2 LEU 39 46.397 29.872 12.680
299 HB3 LEU 39 HB3 LEU 39 47.250 30.507 11.274
300 HG LEU 39 HG LEU 39 45.995 28.520 10.685
301 HD11 LEU 39 HD11 LEU 39 47.663 27.423 9.487
302 HD12 LEU 39 HD12 LEU 39 48.869 27.676 10.747
303 HD13 LEU 39 HD13 LEU 39 48.333 29.032 9.757
304 HD21 LEU 39 HD21 LEU 39 47.144 27.526 13.171
305 HD22 LEU 39 HD22 LEU 39 47.294 26.386 11.833
306 HD23 LEU 39 HD23 LEU 39 45.706 27.000 12.296
307 H LEU 40 H LEU 40 49.339 32.116 12.994
308 HA LEU 40 HA LEU 40 50.767 32.267 10.526
309 HB2 LEU 40 HB2 LEU 40 49.761 34.248 11.419
310 HB3 LEU 40 HB3 LEU 40 50.663 34.084 12.924
311 HG LEU 40 HG LEU 40 52.611 34.259 10.935
312 HD11 LEU 40 HD11 LEU 40 50.840 35.017 9.389
313 HD12 LEU 40 HD12 LEU 40 52.063 36.250 9.694
314 HD13 LEU 40 HD13 LEU 40 50.491 36.354 10.486
315 HD21 LEU 40 HD21 LEU 40 52.532 36.752 11.976
316 HD22 LEU 40 HD22 LEU 40 53.236 35.359 12.797
317 HD23 LEU 40 HD23 LEU 40 51.590 35.868 13.177
318 H GLN 41 H GLN 41 51.755 32.109 13.937
319 HA GLN 41 HA GLN 41 54.540 32.086 13.378
320 HB2 GLN 41 HB2 GLN 41 52.935 32.265 15.661
321 HB3 GLN 41 HB3 GLN 41 53.856 30.782 15.871
322 HG2 GLN 41 HG2 GLN 41 55.216 33.324 15.083
323 HG3 GLN 41 HG3 GLN 41 54.816 32.995 16.768
324 HE21 GLN 41 HE21 GLN 41 57.001 32.457 14.245
325 HE22 GLN 41 HE22 GLN 41 58.011 31.301 15.037
326 H ALA 42 H ALA 42 52.083 29.659 13.420
327 HA ALA 42 HA ALA 42 53.965 27.457 13.588
328 HB1 ALA 42 HB1 ALA 42 52.057 26.767 14.609
329 HB2 ALA 42 HB2 ALA 42 51.014 27.731 13.563
330 HB3 ALA 42 HB3 ALA 42 51.696 26.216 12.973
331 H ALA 43 H ALA 43 52.234 29.255 11.160
332 HA ALA 43 HA ALA 43 52.800 27.332 9.065
333 HB1 ALA 43 HB1 ALA 43 51.719 29.007 7.587
334 HB2 ALA 43 HB2 ALA 43 50.706 28.504 8.940
335 HB3 ALA 43 HB3 ALA 43 51.527 30.064 8.986
336 H ARG 44 H ARG 44 54.231 30.159 10.431
337 HA ARG 44 HA ARG 44 55.773 30.972 8.194
338 HB2 ARG 44 HB2 ARG 44 55.847 31.513 11.133
339 HB3 ARG 44 HB3 ARG 44 57.229 31.975 10.148
340 HG2 ARG 44 HG2 ARG 44 54.958 32.898 8.784
341 HG3 ARG 44 HG3 ARG 44 54.718 33.302 10.485
342 HD2 ARG 44 HD2 ARG 44 55.893 35.139 9.784
343 HD3 ARG 44 HD3 ARG 44 57.214 34.099 10.315
344 HE ARG 44 HE ARG 44 56.657 33.671 7.574
345 HH11 ARG 44 HH12 ARG 44 58.120 35.962 9.750
346 HH12 ARG 44 HH11 ARG 44 59.216 36.587 8.562
347 HH21 ARG 44 HH22 ARG 44 58.094 34.486 6.002
348 HH22 ARG 44 HH21 ARG 44 59.199 35.748 6.430
349 HN1 NH2 45 HN1 NH2 45 56.278 28.666 10.814
350 HN2 NH2 45 HN2 NH2 45 57.788 28.038 10.242
Start of MODEL 4
1 H1 ACE 1 H1 ACE 1 7.257 8.889 -4.335
2 H2 ACE 1 H2 ACE 1 6.558 9.381 -2.774
3 H3 ACE 1 H3 ACE 1 8.308 9.546 -3.057
4 H SER 2 H SER 2 6.818 8.114 -0.993
5 HA SER 2 HA SER 2 7.136 5.308 -1.537
6 HB2 SER 2 HB2 SER 2 9.358 6.807 -0.467
7 HB3 SER 2 HB3 SER 2 8.805 5.615 0.710
8 HG SER 2 HG SER 2 9.052 4.776 -1.933
9 H LYS 3 H LYS 3 6.869 4.029 0.581
10 HA LYS 3 HA LYS 3 4.426 4.640 1.730
11 HB2 LYS 3 HB2 LYS 3 5.162 3.009 3.555
12 HB3 LYS 3 HB3 LYS 3 5.151 2.408 1.902
13 HG2 LYS 3 HG2 LYS 3 7.475 2.426 1.750
14 HG3 LYS 3 HG3 LYS 3 7.649 3.513 3.130
15 HD2 LYS 3 HD2 LYS 3 8.226 1.513 4.096
16 HD3 LYS 3 HD3 LYS 3 6.491 1.536 4.420
17 HE2 LYS 3 HE2 LYS 3 6.704 -0.573 3.566
18 HE3 LYS 3 HE3 LYS 3 6.390 0.323 2.081
19 HZ1 LYS 3 HZ1 LYS 3 8.219 -1.056 1.636
20 HZ2 LYS 3 HZ2 LYS 3 8.989 -0.670 3.091
21 HZ3 LYS 3 HZ3 LYS 3 8.880 0.485 1.860
22 H LEU 4 H LEU 4 7.668 5.502 2.781
23 HA LEU 4 HA LEU 4 6.505 7.006 5.028
24 HB2 LEU 4 HB2 LEU 4 9.200 5.773 4.591
25 HB3 LEU 4 HB3 LEU 4 8.980 7.070 5.763
26 HG LEU 4 HG LEU 4 7.107 5.492 6.699
27 HD11 LEU 4 HD11 LEU 4 7.908 3.098 6.475
28 HD12 LEU 4 HD12 LEU 4 8.838 3.646 5.081
29 HD13 LEU 4 HD13 LEU 4 7.081 3.787 5.078
30 HD21 LEU 4 HD21 LEU 4 10.055 4.988 7.093
31 HD22 LEU 4 HD22 LEU 4 8.772 4.467 8.186
32 HD23 LEU 4 HD23 LEU 4 9.075 6.187 7.938
33 H LEU 5 H LEU 5 6.251 8.130 2.535
34 HA LEU 5 HA LEU 5 8.310 9.782 1.656
35 HB2 LEU 5 HB2 LEU 5 6.704 10.940 0.413
36 HB3 LEU 5 HB3 LEU 5 6.074 9.300 0.556
37 HG LEU 5 HG LEU 5 5.172 11.594 2.290
38 HD11 LEU 5 HD11 LEU 5 3.222 10.684 0.391
39 HD12 LEU 5 HD12 LEU 5 4.673 11.243 -0.441
40 HD13 LEU 5 HD13 LEU 5 3.831 12.314 0.679
41 HD21 LEU 5 HD21 LEU 5 4.536 9.727 3.442
42 HD22 LEU 5 HD22 LEU 5 4.431 8.729 1.991
43 HD23 LEU 5 HD23 LEU 5 3.157 9.894 2.355
44 H LEU 6 H LEU 6 6.200 10.084 4.392
45 HA LEU 6 HA LEU 6 7.305 12.758 4.947
46 HB2 LEU 6 HB2 LEU 6 4.726 12.233 4.726
47 HB3 LEU 6 HB3 LEU 6 4.927 11.712 6.397
48 HG LEU 6 HG LEU 6 5.830 14.436 5.537
49 HD11 LEU 6 HD11 LEU 6 3.414 13.957 4.851
50 HD12 LEU 6 HD12 LEU 6 3.715 15.374 5.856
51 HD13 LEU 6 HD13 LEU 6 3.069 13.901 6.580
52 HD21 LEU 6 HD21 LEU 6 5.191 14.902 7.926
53 HD22 LEU 6 HD22 LEU 6 6.554 13.805 7.705
54 HD23 LEU 6 HD23 LEU 6 4.964 13.165 8.124
55 H ASN 7 H ASN 7 6.226 9.777 6.576
56 HA ASN 7 HA ASN 7 7.297 10.280 9.084
57 HB2 ASN 7 HB2 ASN 7 5.785 8.353 8.350
58 HB3 ASN 7 HB3 ASN 7 7.256 7.538 7.828
59 HD21 ASN 7 HD21 ASN 7 5.406 8.664 10.535
60 HD22 ASN 7 HD22 ASN 7 6.289 7.815 11.753
61 H GLY 8 H GLY 8 8.876 9.333 6.137
62 HA2 GLY 8 HA2 GLY 8 11.347 8.615 7.499
63 HA3 GLY 8 HA3 GLY 8 11.058 8.567 5.766
64 H PHE 9 H PHE 9 10.331 11.061 5.114
65 HA PHE 9 HA PHE 9 12.727 12.460 4.975
66 HB2 PHE 9 HB2 PHE 9 10.327 12.713 3.761
67 HB3 PHE 9 HB3 PHE 9 10.251 14.081 4.866
68 HD1 PHE 9 HD1 PHE 9 12.142 15.769 4.807
69 HD2 PHE 9 HD2 PHE 9 11.542 12.841 1.777
70 HE1 PHE 9 HE1 PHE 9 13.513 17.099 3.256
71 HE2 PHE 9 HE2 PHE 9 12.912 14.166 0.221
72 HZ PHE 9 HZ PHE 9 13.901 16.297 0.960
73 H ASP 10 H ASP 10 10.304 12.429 7.449
74 HA ASP 10 HA ASP 10 10.692 14.847 8.724
75 HB2 ASP 10 HB2 ASP 10 9.068 12.915 9.285
76 HB3 ASP 10 HB3 ASP 10 10.380 12.292 10.281
77 H ASP 11 H ASP 11 12.436 11.801 9.338
78 HA ASP 11 HA ASP 11 14.201 12.769 11.263
79 HB2 ASP 11 HB2 ASP 11 14.042 10.411 10.942
80 HB3 ASP 11 HB3 ASP 11 14.485 10.545 9.242
81 H VAL 12 H VAL 12 14.216 13.115 7.803
82 HA VAL 12 HA VAL 12 16.955 13.981 7.634
83 HB VAL 12 HB VAL 12 14.741 14.290 5.601
84 HG11 VAL 12 HG11 VAL 12 16.387 15.739 4.883
85 HG12 VAL 12 HG12 VAL 12 17.693 14.750 5.538
86 HG13 VAL 12 HG13 VAL 12 16.850 14.242 4.074
87 HG21 VAL 12 HG21 VAL 12 16.392 12.299 4.704
88 HG22 VAL 12 HG22 VAL 12 16.335 11.987 6.439
89 HG23 VAL 12 HG23 VAL 12 14.840 12.053 5.505
90 H HIS 13 H HIS 13 13.777 15.541 7.641
91 HA HIS 13 HA HIS 13 14.568 18.154 7.105
92 HB2 HIS 13 HB2 HIS 13 12.204 16.830 8.025
93 HB3 HIS 13 HB3 HIS 13 12.470 18.262 9.015
94 HD1 HIS 13 HD1 HIS 13 11.234 20.189 8.115
95 HD2 HIS 13 HD2 HIS 13 12.600 17.698 5.084
96 HE1 HIS 13 HE1 HIS 13 10.474 21.261 5.971
97 H PHE 14 H PHE 14 14.938 16.248 9.968
98 HA PHE 14 HA PHE 14 15.514 18.531 11.660
99 HB2 PHE 14 HB2 PHE 14 14.362 16.433 12.478
100 HB3 PHE 14 HB3 PHE 14 15.909 15.609 12.313
101 HD1 PHE 14 HD2 PHE 14 14.703 18.834 13.763
102 HD2 PHE 14 HD1 PHE 14 17.030 15.308 14.280
103 HE1 PHE 14 HE2 PHE 14 15.341 19.589 16.016
104 HE2 PHE 14 HE1 PHE 14 17.671 16.057 16.534
105 HZ PHE 14 HZ PHE 14 16.827 18.201 17.405
106 H LEU 15 H LEU 15 17.250 15.983 9.974
107 HA LEU 15 HA LEU 15 19.763 16.209 11.098
108 HB2 LEU 15 HB2 LEU 15 18.630 15.183 8.647
109 HB3 LEU 15 HB3 LEU 15 20.224 15.882 8.368
110 HG LEU 15 HG LEU 15 19.587 13.700 10.354
111 HD11 LEU 15 HD11 LEU 15 20.098 12.173 8.801
112 HD12 LEU 15 HD12 LEU 15 21.404 13.149 8.130
113 HD13 LEU 15 HD13 LEU 15 19.736 13.452 7.642
114 HD21 LEU 15 HD21 LEU 15 22.019 13.522 10.578
115 HD22 LEU 15 HD22 LEU 15 21.434 15.106 11.087
116 HD23 LEU 15 HD23 LEU 15 22.218 14.917 9.517
117 H GLY 16 H GLY 16 18.245 18.222 8.626
118 HA2 GLY 16 HA2 GLY 16 20.407 19.714 7.767
119 HA3 GLY 16 HA3 GLY 16 18.767 20.333 7.885
120 H SER 17 H SER 17 18.124 20.854 10.257
121 HA SER 17 HA SER 17 19.598 23.022 11.120
122 HB2 SER 17 HB2 SER 17 17.226 22.429 11.770
123 HB3 SER 17 HB3 SER 17 17.907 21.302 12.944
124 HG SER 17 HG SER 17 17.387 23.511 13.694
125 H ASN 18 H ASN 18 19.971 19.641 11.918
126 HA ASN 18 HA ASN 18 21.669 19.988 14.165
127 HB2 ASN 18 HB2 ASN 18 20.452 17.831 12.866
128 HB3 ASN 18 HB3 ASN 18 22.181 17.535 12.704
129 HD21 ASN 18 HD21 ASN 18 19.776 16.559 14.438
130 HD22 ASN 18 HD22 ASN 18 20.481 16.436 16.010
131 H VAL 19 H VAL 19 22.364 19.164 10.768
132 HA VAL 19 HA VAL 19 25.129 19.065 10.923
133 HB VAL 19 HB VAL 19 23.563 20.141 8.576
134 HG11 VAL 19 HG11 VAL 19 26.357 19.317 9.011
135 HG12 VAL 19 HG12 VAL 19 25.602 18.714 7.534
136 HG13 VAL 19 HG13 VAL 19 25.674 20.449 7.844
137 HG21 VAL 19 HG21 VAL 19 22.598 18.147 8.415
138 HG22 VAL 19 HG22 VAL 19 24.194 17.436 8.174
139 HG23 VAL 19 HG23 VAL 19 23.512 17.543 9.797
140 H MET 20 H MET 20 23.006 21.815 10.924
141 HA MET 20 HA MET 20 25.100 23.719 10.352
142 HB2 MET 20 HB2 MET 20 22.804 24.171 9.634
143 HB3 MET 20 HB3 MET 20 22.261 24.130 11.306
144 HG2 MET 20 HG2 MET 20 23.934 26.038 11.683
145 HG3 MET 20 HG3 MET 20 23.941 26.185 9.927
146 HE1 MET 20 HE1 MET 20 21.937 26.382 8.527
147 HE2 MET 20 HE2 MET 20 20.549 27.388 8.944
148 HE3 MET 20 HE3 MET 20 22.160 28.100 8.858
149 H GLU 21 H GLU 21 23.363 22.526 13.175
150 HA GLU 21 HA GLU 21 24.427 24.410 15.012
151 HB2 GLU 21 HB2 GLU 21 22.423 23.257 15.612
152 HB3 GLU 21 HB3 GLU 21 23.182 21.688 15.381
153 HG2 GLU 21 HG2 GLU 21 23.956 21.650 17.458
154 HG3 GLU 21 HG3 GLU 21 24.593 23.289 17.334
155 H GLU 22 H GLU 22 25.550 21.360 13.743
156 HA GLU 22 HA GLU 22 27.624 21.027 15.708
157 HB2 GLU 22 HB2 GLU 22 28.374 19.171 14.274
158 HB3 GLU 22 HB3 GLU 22 26.657 19.071 14.634
159 HG2 GLU 22 HG2 GLU 22 26.112 19.941 12.444
160 HG3 GLU 22 HG3 GLU 22 27.824 20.149 12.078
161 H GLN 23 H GLN 23 27.356 22.351 12.467
162 HA GLN 23 HA GLN 23 30.207 22.740 12.205
163 HB2 GLN 23 HB2 GLN 23 28.037 22.615 10.432
164 HB3 GLN 23 HB3 GLN 23 28.626 24.269 10.331
165 HG2 GLN 23 HG2 GLN 23 30.944 23.228 10.045
166 HG3 GLN 23 HG3 GLN 23 30.082 21.723 9.732
167 HE21 GLN 23 HE21 GLN 23 28.285 21.959 8.074
168 HE22 GLN 23 HE22 GLN 23 28.666 22.878 6.662
169 H ASP 24 H ASP 24 27.491 24.502 13.385
170 HA ASP 24 HA ASP 24 28.710 27.101 13.164
171 HB2 ASP 24 HB2 ASP 24 26.244 26.769 13.135
172 HB3 ASP 24 HB3 ASP 24 26.323 26.249 14.816
173 H LEU 25 H LEU 25 28.647 24.527 15.482
174 HA LEU 25 HA LEU 25 29.611 26.176 17.657
175 HB2 LEU 25 HB2 LEU 25 28.573 23.485 17.326
176 HB3 LEU 25 HB3 LEU 25 29.990 23.529 18.374
177 HG LEU 25 HG LEU 25 27.898 23.647 19.642
178 HD11 LEU 25 HD11 LEU 25 28.548 25.365 21.103
179 HD12 LEU 25 HD12 LEU 25 29.264 26.317 19.803
180 HD13 LEU 25 HD13 LEU 25 30.041 24.826 20.335
181 HD21 LEU 25 HD21 LEU 25 26.229 25.118 19.254
182 HD22 LEU 25 HD22 LEU 25 26.904 25.116 17.625
183 HD23 LEU 25 HD23 LEU 25 27.328 26.403 18.754
184 H ARG 26 H ARG 26 30.905 24.083 15.200
185 HA ARG 26 HA ARG 26 33.527 23.969 16.443
186 HB2 ARG 26 HB2 ARG 26 34.155 22.536 14.622
187 HB3 ARG 26 HB3 ARG 26 32.569 22.031 15.190
188 HG2 ARG 26 HG2 ARG 26 32.004 22.057 13.033
189 HG3 ARG 26 HG3 ARG 26 31.919 23.809 13.229
190 HD2 ARG 26 HD2 ARG 26 33.406 23.886 11.559
191 HD3 ARG 26 HD3 ARG 26 34.586 23.403 12.777
192 HE ARG 26 HE ARG 26 33.637 21.037 11.922
193 HH11 ARG 26 HH12 ARG 26 34.835 23.836 10.234
194 HH12 ARG 26 HH11 ARG 26 35.447 22.926 8.892
195 HH21 ARG 26 HH22 ARG 26 34.437 19.829 10.161
196 HH22 ARG 26 HH21 ARG 26 35.219 20.647 8.851
197 H ASP 27 H ASP 27 31.857 25.727 13.941
198 HA ASP 27 HA ASP 27 34.026 26.752 12.513
199 HB2 ASP 27 HB2 ASP 27 31.916 27.110 11.550
200 HB3 ASP 27 HB3 ASP 27 31.249 27.775 13.039
201 H ILE 28 H ILE 28 32.403 27.997 15.409
202 HA ILE 28 HA ILE 28 33.775 30.402 15.669
203 HB ILE 28 HB ILE 28 32.839 28.630 17.927
204 HG12 ILE 28 HG12 ILE 28 31.040 29.055 16.317
205 HG13 ILE 28 HG13 ILE 28 30.751 29.923 17.821
206 HG21 ILE 28 HG21 ILE 28 32.588 30.829 19.106
207 HG22 ILE 28 HG22 ILE 28 34.251 30.344 18.779
208 HG23 ILE 28 HG23 ILE 28 33.476 31.568 17.773
209 HD11 ILE 28 HD11 ILE 28 30.215 31.276 15.866
210 HD12 ILE 28 HD12 ILE 28 31.536 31.980 16.799
211 HD13 ILE 28 HD13 ILE 28 31.877 31.117 15.300
212 H GLY 29 H GLY 29 34.823 27.152 16.279
213 HA2 GLY 29 HA2 GLY 29 37.110 27.960 17.866
214 HA3 GLY 29 HA3 GLY 29 36.726 26.328 17.340
215 H ILE 30 H ILE 30 36.403 27.361 14.527
216 HA ILE 30 HA ILE 30 39.241 27.209 13.845
217 HB ILE 30 HB ILE 30 36.884 27.068 11.968
218 HG12 ILE 30 HG12 ILE 30 38.424 24.788 13.227
219 HG13 ILE 30 HG13 ILE 30 36.801 25.284 13.695
220 HG21 ILE 30 HG21 ILE 30 38.869 27.584 10.779
221 HG22 ILE 30 HG22 ILE 30 39.803 26.399 11.690
222 HG23 ILE 30 HG23 ILE 30 38.576 25.861 10.544
223 HD11 ILE 30 HD11 ILE 30 36.529 23.430 12.288
224 HD12 ILE 30 HD12 ILE 30 36.132 24.833 11.296
225 HD13 ILE 30 HD13 ILE 30 37.698 24.041 11.118
226 H SER 31 H SER 31 36.789 29.509 14.146
227 HA SER 31 HA SER 31 38.156 31.358 12.308
228 HB2 SER 31 HB2 SER 31 35.376 30.824 12.797
229 HB3 SER 31 HB3 SER 31 35.727 32.504 13.203
230 HG SER 31 HG SER 31 35.742 31.230 10.753
231 H ASP 32 H ASP 32 38.121 30.534 15.459
232 HA ASP 32 HA ASP 32 37.772 32.817 16.958
233 HB2 ASP 32 HB2 ASP 32 39.061 30.274 17.300
234 HB3 ASP 32 HB3 ASP 32 40.069 31.537 18.001
235 HA PRO 33 HA PRO 33 40.904 35.692 15.878
236 HB2 PRO 33 HB2 PRO 33 41.458 36.822 18.284
237 HB3 PRO 33 HB3 PRO 33 39.956 37.125 17.403
238 HG2 PRO 33 HG2 PRO 33 40.470 35.252 19.681
239 HG3 PRO 33 HG3 PRO 33 39.094 36.338 19.414
240 HD2 PRO 33 HD2 PRO 33 38.978 33.685 18.888
241 HD3 PRO 33 HD3 PRO 33 38.069 34.885 17.948
242 H GLN 34 H GLN 34 41.689 33.905 18.864
243 HA GLN 34 HA GLN 34 44.426 34.291 18.888
244 HB2 GLN 34 HB2 GLN 34 42.768 31.943 19.797
245 HB3 GLN 34 HB3 GLN 34 44.499 32.051 20.086
246 HG2 GLN 34 HG2 GLN 34 43.496 34.481 20.971
247 HG3 GLN 34 HG3 GLN 34 42.308 33.290 21.497
248 HE21 GLN 34 HE21 GLN 34 43.478 31.207 22.348
249 HE22 GLN 34 HE22 GLN 34 44.704 31.513 23.526
250 H HIS 35 H HIS 35 42.509 32.235 16.851
251 HA HIS 35 HA HIS 35 44.332 30.350 15.995
252 HB2 HIS 35 HB2 HIS 35 41.793 31.051 15.266
253 HB3 HIS 35 HB3 HIS 35 42.706 31.510 13.832
254 HD1 HIS 35 HD1 HIS 35 40.721 29.232 13.611
255 HD2 HIS 35 HD2 HIS 35 44.718 28.680 14.601
256 HE1 HIS 35 HE1 HIS 35 41.240 26.847 13.006
257 H ARG 36 H ARG 36 44.088 33.737 15.131
258 HA ARG 36 HA ARG 36 45.822 33.693 12.905
259 HB2 ARG 36 HB2 ARG 36 44.351 35.633 14.348
260 HB3 ARG 36 HB3 ARG 36 46.021 36.183 14.314
261 HG2 ARG 36 HG2 ARG 36 44.939 35.208 11.754
262 HG3 ARG 36 HG3 ARG 36 44.235 36.701 12.380
263 HD2 ARG 36 HD2 ARG 36 46.109 37.885 12.010
264 HD3 ARG 36 HD3 ARG 36 47.160 36.571 12.536
265 HE ARG 36 HE ARG 36 46.140 35.796 10.096
266 HH11 ARG 36 HH12 ARG 36 48.049 38.435 11.326
267 HH12 ARG 36 HH11 ARG 36 48.908 38.677 9.842
268 HH21 ARG 36 HH22 ARG 36 47.265 36.105 8.136
269 HH22 ARG 36 HH21 ARG 36 48.461 37.351 8.027
270 H ARG 37 H ARG 37 46.387 34.179 16.361
271 HA ARG 37 HA ARG 37 49.153 34.782 16.107
272 HB2 ARG 37 HB2 ARG 37 47.446 33.889 18.425
273 HB3 ARG 37 HB3 ARG 37 49.172 34.181 18.590
274 HG2 ARG 37 HG2 ARG 37 48.761 36.499 17.718
275 HG3 ARG 37 HG3 ARG 37 47.034 36.162 17.858
276 HD2 ARG 37 HD2 ARG 37 47.133 36.000 20.184
277 HD3 ARG 37 HD3 ARG 37 48.880 35.763 20.184
278 HE ARG 37 HE ARG 37 48.142 38.314 19.143
279 HH11 ARG 37 HH12 ARG 37 48.622 36.514 22.084
280 HH12 ARG 37 HH11 ARG 37 48.984 37.916 23.037
281 HH21 ARG 37 HH22 ARG 37 48.616 40.167 20.387
282 HH22 ARG 37 HH21 ARG 37 48.979 39.993 22.071
283 H LYS 38 H LYS 38 47.316 31.825 16.437
284 HA LYS 38 HA LYS 38 49.649 30.194 16.926
285 HB2 LYS 38 HB2 LYS 38 46.738 29.807 16.855
286 HB3 LYS 38 HB3 LYS 38 47.656 28.446 16.225
287 HG2 LYS 38 HG2 LYS 38 48.485 27.893 18.247
288 HG3 LYS 38 HG3 LYS 38 48.600 29.571 18.781
289 HD2 LYS 38 HD2 LYS 38 45.876 28.481 18.394
290 HD3 LYS 38 HD3 LYS 38 46.799 27.844 19.757
291 HE2 LYS 38 HE2 LYS 38 47.106 30.681 19.666
292 HE3 LYS 38 HE3 LYS 38 45.389 30.288 19.580
293 HZ1 LYS 38 HZ1 LYS 38 47.207 29.138 21.619
294 HZ2 LYS 38 HZ2 LYS 38 45.517 29.093 21.598
295 HZ3 LYS 38 HZ3 LYS 38 46.320 30.557 21.872
296 H LEU 39 H LEU 39 47.891 31.356 14.202
297 HA LEU 39 HA LEU 39 48.970 29.345 12.401
298 HB2 LEU 39 HB2 LEU 39 46.640 30.405 12.260
299 HB3 LEU 39 HB3 LEU 39 47.466 31.815 11.598
300 HG LEU 39 HG LEU 39 48.359 30.309 9.789
301 HD11 LEU 39 HD11 LEU 39 48.182 28.138 10.531
302 HD12 LEU 39 HD12 LEU 39 46.771 28.265 9.482
303 HD13 LEU 39 HD13 LEU 39 46.583 28.392 11.231
304 HD21 LEU 39 HD21 LEU 39 45.729 30.000 9.012
305 HD22 LEU 39 HD22 LEU 39 46.731 31.429 8.758
306 HD23 LEU 39 HD23 LEU 39 45.668 31.335 10.163
307 H LEU 40 H LEU 40 49.712 32.513 13.524
308 HA LEU 40 HA LEU 40 51.347 33.279 11.296
309 HB2 LEU 40 HB2 LEU 40 50.362 35.012 12.598
310 HB3 LEU 40 HB3 LEU 40 51.038 34.357 14.088
311 HG LEU 40 HG LEU 40 53.003 35.171 12.044
312 HD11 LEU 40 HD11 LEU 40 51.757 37.359 13.642
313 HD12 LEU 40 HD12 LEU 40 51.041 36.891 12.101
314 HD13 LEU 40 HD13 LEU 40 52.713 37.447 12.163
315 HD21 LEU 40 HD21 LEU 40 54.254 35.840 13.930
316 HD22 LEU 40 HD22 LEU 40 53.462 34.333 14.389
317 HD23 LEU 40 HD23 LEU 40 52.825 35.875 14.963
318 H GLN 41 H GLN 41 51.908 31.873 14.486
319 HA GLN 41 HA GLN 41 54.757 31.926 14.272
320 HB2 GLN 41 HB2 GLN 41 52.971 31.528 16.325
321 HB3 GLN 41 HB3 GLN 41 53.620 29.913 16.073
322 HG2 GLN 41 HG2 GLN 41 55.708 30.490 16.761
323 HG3 GLN 41 HG3 GLN 41 55.543 32.162 16.229
324 HE21 GLN 41 HE21 GLN 41 56.438 32.764 18.267
325 HE22 GLN 41 HE22 GLN 41 55.445 32.806 19.679
326 H ALA 42 H ALA 42 52.261 29.771 13.236
327 HA ALA 42 HA ALA 42 54.074 27.542 12.823
328 HB1 ALA 42 HB1 ALA 42 52.137 26.334 12.040
329 HB2 ALA 42 HB2 ALA 42 51.743 27.165 13.545
330 HB3 ALA 42 HB3 ALA 42 51.185 27.819 12.005
331 H ALA 43 H ALA 43 52.498 30.057 10.954
332 HA ALA 43 HA ALA 43 53.296 28.952 8.412
333 HB1 ALA 43 HB1 ALA 43 51.262 30.175 8.425
334 HB2 ALA 43 HB2 ALA 43 52.027 31.568 9.191
335 HB3 ALA 43 HB3 ALA 43 52.434 31.142 7.529
336 H ARG 44 H ARG 44 54.636 31.082 10.771
337 HA ARG 44 HA ARG 44 56.462 32.413 9.004
338 HB2 ARG 44 HB2 ARG 44 55.896 33.623 10.948
339 HB3 ARG 44 HB3 ARG 44 56.196 32.242 11.995
340 HG2 ARG 44 HG2 ARG 44 58.418 32.627 12.097
341 HG3 ARG 44 HG3 ARG 44 58.501 33.229 10.440
342 HD2 ARG 44 HD2 ARG 44 58.839 35.191 11.536
343 HD3 ARG 44 HD3 ARG 44 57.076 35.204 11.503
344 HE ARG 44 HE ARG 44 57.946 33.892 13.830
345 HH11 ARG 44 HH12 ARG 44 57.841 37.072 12.416
346 HH12 ARG 44 HH11 ARG 44 57.782 37.891 13.942
347 HH21 ARG 44 HH22 ARG 44 57.869 34.958 15.845
348 HH22 ARG 44 HH21 ARG 44 57.799 36.688 15.892
349 HN1 NH2 45 HN1 NH2 45 56.436 29.452 10.833
350 HN2 NH2 45 HN2 NH2 45 58.061 28.962 10.488
Start of MODEL 5
1 H1 ACE 1 H1 ACE 1 8.165 10.516 -4.543
2 H2 ACE 1 H2 ACE 1 7.437 9.679 -5.934
3 H3 ACE 1 H3 ACE 1 6.454 10.788 -4.949
4 H SER 2 H SER 2 8.574 9.139 -3.025
5 HA SER 2 HA SER 2 6.699 6.932 -2.528
6 HB2 SER 2 HB2 SER 2 9.276 6.905 -1.103
7 HB3 SER 2 HB3 SER 2 8.469 5.619 -2.000
8 HG SER 2 HG SER 2 9.938 6.020 -3.448
9 H LYS 3 H LYS 3 7.083 6.230 -0.019
10 HA LYS 3 HA LYS 3 5.877 8.389 1.469
11 HB2 LYS 3 HB2 LYS 3 5.847 5.558 1.585
12 HB3 LYS 3 HB3 LYS 3 6.492 6.127 3.119
13 HG2 LYS 3 HG2 LYS 3 4.416 7.769 2.949
14 HG3 LYS 3 HG3 LYS 3 3.788 6.453 1.954
15 HD2 LYS 3 HD2 LYS 3 4.807 5.090 4.080
16 HD3 LYS 3 HD3 LYS 3 4.253 6.579 4.850
17 HE2 LYS 3 HE2 LYS 3 2.550 4.909 3.010
18 HE3 LYS 3 HE3 LYS 3 2.562 4.727 4.763
19 HZ1 LYS 3 HZ1 LYS 3 0.867 6.191 4.568
20 HZ2 LYS 3 HZ2 LYS 3 1.440 6.862 3.125
21 HZ3 LYS 3 HZ3 LYS 3 2.129 7.318 4.601
22 H LEU 4 H LEU 4 8.941 6.675 1.410
23 HA LEU 4 HA LEU 4 9.969 7.749 3.826
24 HB2 LEU 4 HB2 LEU 4 12.114 6.931 3.072
25 HB3 LEU 4 HB3 LEU 4 10.861 5.727 2.778
26 HG LEU 4 HG LEU 4 11.164 7.304 0.425
27 HD11 LEU 4 HD11 LEU 4 13.401 7.827 1.359
28 HD12 LEU 4 HD12 LEU 4 13.461 6.912 -0.147
29 HD13 LEU 4 HD13 LEU 4 13.751 6.098 1.390
30 HD21 LEU 4 HD21 LEU 4 10.380 5.184 0.072
31 HD22 LEU 4 HD22 LEU 4 11.466 4.463 1.260
32 HD23 LEU 4 HD23 LEU 4 12.084 4.952 -0.319
33 H LEU 5 H LEU 5 9.773 8.925 0.564
34 HA LEU 5 HA LEU 5 11.798 10.842 0.572
35 HB2 LEU 5 HB2 LEU 5 9.990 10.032 -1.234
36 HB3 LEU 5 HB3 LEU 5 9.245 11.551 -0.743
37 HG LEU 5 HG LEU 5 12.116 11.624 -1.489
38 HD11 LEU 5 HD11 LEU 5 10.865 10.150 -3.168
39 HD12 LEU 5 HD12 LEU 5 11.777 11.522 -3.794
40 HD13 LEU 5 HD13 LEU 5 10.024 11.627 -3.637
41 HD21 LEU 5 HD21 LEU 5 11.375 13.764 -2.494
42 HD22 LEU 5 HD22 LEU 5 11.031 13.648 -0.768
43 HD23 LEU 5 HD23 LEU 5 9.735 13.418 -1.943
44 H LEU 6 H LEU 6 8.715 10.807 2.151
45 HA LEU 6 HA LEU 6 9.165 13.575 3.057
46 HB2 LEU 6 HB2 LEU 6 6.742 12.148 2.184
47 HB3 LEU 6 HB3 LEU 6 6.556 13.146 3.625
48 HG LEU 6 HG LEU 6 5.900 14.322 1.570
49 HD11 LEU 6 HD11 LEU 6 6.515 16.191 2.590
50 HD12 LEU 6 HD12 LEU 6 8.196 15.946 2.118
51 HD13 LEU 6 HD13 LEU 6 7.589 15.239 3.615
52 HD21 LEU 6 HD21 LEU 6 7.628 14.994 -0.039
53 HD22 LEU 6 HD22 LEU 6 7.407 13.245 0.001
54 HD23 LEU 6 HD23 LEU 6 8.797 13.977 0.803
55 H ASN 7 H ASN 7 7.323 10.711 4.128
56 HA ASN 7 HA ASN 7 7.405 11.301 6.851
57 HB2 ASN 7 HB2 ASN 7 7.275 8.561 5.571
58 HB3 ASN 7 HB3 ASN 7 6.788 8.962 7.216
59 HD21 ASN 7 HD21 ASN 7 4.935 10.254 7.532
60 HD22 ASN 7 HD22 ASN 7 3.712 10.367 6.316
61 H GLY 8 H GLY 8 9.780 9.836 4.774
62 HA2 GLY 8 HA2 GLY 8 11.390 8.882 7.000
63 HA3 GLY 8 HA3 GLY 8 11.780 8.740 5.292
64 H PHE 9 H PHE 9 11.323 11.594 4.785
65 HA PHE 9 HA PHE 9 13.956 12.513 5.302
66 HB2 PHE 9 HB2 PHE 9 12.038 13.169 3.488
67 HB3 PHE 9 HB3 PHE 9 11.929 14.536 4.592
68 HD1 PHE 9 HD2 PHE 9 14.333 15.494 5.294
69 HD2 PHE 9 HD1 PHE 9 13.453 13.382 1.705
70 HE1 PHE 9 HE2 PHE 9 16.289 16.523 4.213
71 HE2 PHE 9 HE1 PHE 9 15.408 14.406 0.618
72 HZ PHE 9 HZ PHE 9 16.828 15.980 1.872
73 H ASP 10 H ASP 10 10.935 12.833 6.965
74 HA ASP 10 HA ASP 10 11.288 15.142 8.440
75 HB2 ASP 10 HB2 ASP 10 9.282 13.546 8.396
76 HB3 ASP 10 HB3 ASP 10 10.135 12.626 9.632
77 H ASP 11 H ASP 11 12.283 11.845 9.356
78 HA ASP 11 HA ASP 11 13.527 12.492 11.762
79 HB2 ASP 11 HB2 ASP 11 13.461 10.212 9.951
80 HB3 ASP 11 HB3 ASP 11 15.027 10.387 10.738
81 H VAL 12 H VAL 12 14.586 12.937 8.494
82 HA VAL 12 HA VAL 12 17.361 13.336 9.186
83 HB VAL 12 HB VAL 12 15.964 14.013 6.596
84 HG11 VAL 12 HG11 VAL 12 18.738 13.229 6.428
85 HG12 VAL 12 HG12 VAL 12 17.942 14.686 5.830
86 HG13 VAL 12 HG13 VAL 12 18.530 14.619 7.492
87 HG21 VAL 12 HG21 VAL 12 15.608 11.696 6.956
88 HG22 VAL 12 HG22 VAL 12 16.959 11.825 5.830
89 HG23 VAL 12 HG23 VAL 12 17.259 11.460 7.530
90 H HIS 13 H HIS 13 14.574 15.347 8.366
91 HA HIS 13 HA HIS 13 15.833 17.817 8.166
92 HB2 HIS 13 HB2 HIS 13 13.144 16.847 8.398
93 HB3 HIS 13 HB3 HIS 13 13.345 18.245 9.449
94 HD1 HIS 13 HD1 HIS 13 13.309 20.494 8.357
95 HD2 HIS 13 HD2 HIS 13 13.779 17.408 5.616
96 HE1 HIS 13 HE1 HIS 13 13.135 21.574 6.092
97 H PHE 14 H PHE 14 15.159 15.878 10.950
98 HA PHE 14 HA PHE 14 15.485 18.023 12.847
99 HB2 PHE 14 HB2 PHE 14 14.067 15.964 13.234
100 HB3 PHE 14 HB3 PHE 14 15.566 15.055 13.402
101 HD1 PHE 14 HD1 PHE 14 13.569 17.806 14.850
102 HD2 PHE 14 HD2 PHE 14 16.779 15.068 15.415
103 HE1 PHE 14 HE1 PHE 14 13.665 18.415 17.232
104 HE2 PHE 14 HE2 PHE 14 16.879 15.673 17.798
105 HZ PHE 14 HZ PHE 14 15.320 17.347 18.709
106 H LEU 15 H LEU 15 17.419 15.274 11.721
107 HA LEU 15 HA LEU 15 19.611 15.598 13.416
108 HB2 LEU 15 HB2 LEU 15 18.950 14.071 11.103
109 HB3 LEU 15 HB3 LEU 15 20.557 14.759 10.880
110 HG LEU 15 HG LEU 15 20.679 12.516 11.816
111 HD11 LEU 15 HD11 LEU 15 22.322 14.307 12.445
112 HD12 LEU 15 HD12 LEU 15 22.193 12.969 13.585
113 HD13 LEU 15 HD13 LEU 15 21.416 14.511 13.945
114 HD21 LEU 15 HD21 LEU 15 19.332 11.767 13.421
115 HD22 LEU 15 HD22 LEU 15 18.428 13.272 13.256
116 HD23 LEU 15 HD23 LEU 15 19.703 13.137 14.467
117 H GLY 16 H GLY 16 18.756 17.235 10.430
118 HA2 GLY 16 HA2 GLY 16 21.167 18.428 9.763
119 HA3 GLY 16 HA3 GLY 16 19.590 19.146 9.467
120 H SER 17 H SER 17 18.601 19.890 11.767
121 HA SER 17 HA SER 17 20.013 22.184 12.477
122 HB2 SER 17 HB2 SER 17 18.405 22.425 14.300
123 HB3 SER 17 HB3 SER 17 17.582 21.877 12.840
124 HG SER 17 HG SER 17 17.811 20.659 15.256
125 H ASN 18 H ASN 18 20.122 18.948 13.789
126 HA ASN 18 HA ASN 18 21.517 19.611 16.182
127 HB2 ASN 18 HB2 ASN 18 20.250 17.370 15.262
128 HB3 ASN 18 HB3 ASN 18 21.942 16.910 15.091
129 HD21 ASN 18 HD21 ASN 18 19.371 16.890 17.126
130 HD22 ASN 18 HD22 ASN 18 20.195 16.729 18.636
131 H VAL 19 H VAL 19 22.568 18.213 13.080
132 HA VAL 19 HA VAL 19 25.296 18.053 13.665
133 HB VAL 19 HB VAL 19 24.123 18.602 10.938
134 HG11 VAL 19 HG11 VAL 19 26.757 17.693 11.955
135 HG12 VAL 19 HG12 VAL 19 26.157 16.960 10.466
136 HG13 VAL 19 HG13 VAL 19 26.366 18.709 10.568
137 HG21 VAL 19 HG21 VAL 19 23.053 16.660 11.083
138 HG22 VAL 19 HG22 VAL 19 24.615 15.857 11.244
139 HG23 VAL 19 HG23 VAL 19 23.729 16.356 12.684
140 H MET 20 H MET 20 23.311 20.768 12.882
141 HA MET 20 HA MET 20 25.559 22.465 12.178
142 HB2 MET 20 HB2 MET 20 23.463 22.798 10.995
143 HB3 MET 20 HB3 MET 20 22.617 23.071 12.513
144 HG2 MET 20 HG2 MET 20 24.127 25.052 12.866
145 HG3 MET 20 HG3 MET 20 24.670 24.828 11.205
146 HE1 MET 20 HE1 MET 20 23.952 25.692 9.472
147 HE2 MET 20 HE2 MET 20 22.314 25.305 8.946
148 HE3 MET 20 HE3 MET 20 22.738 26.967 9.356
149 H GLU 21 H GLU 21 23.374 21.931 14.882
150 HA GLU 21 HA GLU 21 24.255 24.180 16.399
151 HB2 GLU 21 HB2 GLU 21 22.090 23.293 16.881
152 HB3 GLU 21 HB3 GLU 21 22.740 21.680 17.141
153 HG2 GLU 21 HG2 GLU 21 23.234 22.099 19.271
154 HG3 GLU 21 HG3 GLU 21 23.914 23.681 18.898
155 H GLU 22 H GLU 22 25.370 20.921 15.978
156 HA GLU 22 HA GLU 22 27.047 20.940 18.327
157 HB2 GLU 22 HB2 GLU 22 27.849 18.772 17.515
158 HB3 GLU 22 HB3 GLU 22 26.092 18.836 17.529
159 HG2 GLU 22 HG2 GLU 22 26.491 17.842 15.508
160 HG3 GLU 22 HG3 GLU 22 26.370 19.537 15.039
161 H GLN 23 H GLN 23 27.384 21.557 14.896
162 HA GLN 23 HA GLN 23 30.271 21.748 15.055
163 HB2 GLN 23 HB2 GLN 23 28.449 21.239 13.005
164 HB3 GLN 23 HB3 GLN 23 29.092 22.834 12.636
165 HG2 GLN 23 HG2 GLN 23 31.395 21.788 12.980
166 HG3 GLN 23 HG3 GLN 23 30.562 20.237 12.888
167 HE21 GLN 23 HE21 GLN 23 29.013 20.116 10.949
168 HE22 GLN 23 HE22 GLN 23 29.662 20.661 9.444
169 H ASP 24 H ASP 24 27.539 23.816 15.342
170 HA ASP 24 HA ASP 24 28.928 26.256 14.721
171 HB2 ASP 24 HB2 ASP 24 26.488 26.031 14.402
172 HB3 ASP 24 HB3 ASP 24 26.289 25.839 16.142
173 H LEU 25 H LEU 25 28.350 24.326 17.552
174 HA LEU 25 HA LEU 25 29.121 26.401 19.404
175 HB2 LEU 25 HB2 LEU 25 27.862 23.854 19.547
176 HB3 LEU 25 HB3 LEU 25 29.275 23.833 20.601
177 HG LEU 25 HG LEU 25 28.423 25.696 21.865
178 HD11 LEU 25 HD11 LEU 25 27.227 27.195 20.718
179 HD12 LEU 25 HD12 LEU 25 25.847 26.160 21.082
180 HD13 LEU 25 HD13 LEU 25 26.684 26.001 19.538
181 HD21 LEU 25 HD21 LEU 25 26.060 23.889 21.501
182 HD22 LEU 25 HD22 LEU 25 26.690 24.613 22.981
183 HD23 LEU 25 HD23 LEU 25 27.565 23.293 22.203
184 H ARG 26 H ARG 26 30.663 23.883 17.609
185 HA ARG 26 HA ARG 26 33.094 24.042 19.220
186 HB2 ARG 26 HB2 ARG 26 33.866 22.138 18.036
187 HB3 ARG 26 HB3 ARG 26 32.165 21.844 18.374
188 HG2 ARG 26 HG2 ARG 26 32.044 21.293 16.215
189 HG3 ARG 26 HG3 ARG 26 32.037 23.035 15.931
190 HD2 ARG 26 HD2 ARG 26 33.704 22.229 14.506
191 HD3 ARG 26 HD3 ARG 26 34.589 22.852 15.898
192 HE ARG 26 HE ARG 26 34.272 20.258 16.529
193 HH11 ARG 26 HH12 ARG 26 35.418 21.853 13.655
194 HH12 ARG 26 HH11 ARG 26 36.488 20.566 13.210
195 HH21 ARG 26 HH22 ARG 26 35.678 18.556 15.954
196 HH22 ARG 26 HH21 ARG 26 36.635 18.691 14.517
197 H ASP 27 H ASP 27 31.767 25.155 16.223
198 HA ASP 27 HA ASP 27 34.197 25.752 14.891
199 HB2 ASP 27 HB2 ASP 27 31.332 26.466 14.543
200 HB3 ASP 27 HB3 ASP 27 32.518 27.512 13.767
201 H ILE 28 H ILE 28 32.323 27.397 17.315
202 HA ILE 28 HA ILE 28 33.224 30.011 17.017
203 HB ILE 28 HB ILE 28 32.594 28.558 19.589
204 HG12 ILE 28 HG12 ILE 28 30.707 30.479 18.336
205 HG13 ILE 28 HG13 ILE 28 30.890 28.918 17.543
206 HG21 ILE 28 HG21 ILE 28 33.457 30.410 20.516
207 HG22 ILE 28 HG22 ILE 28 33.392 31.316 19.005
208 HG23 ILE 28 HG23 ILE 28 31.947 31.165 20.005
209 HD11 ILE 28 HD11 ILE 28 30.432 27.884 19.812
210 HD12 ILE 28 HD12 ILE 28 29.921 29.495 20.318
211 HD13 ILE 28 HD13 ILE 28 29.079 28.676 19.003
212 H GLY 29 H GLY 29 34.865 27.203 18.225
213 HA2 GLY 29 HA2 GLY 29 37.056 28.842 19.287
214 HA3 GLY 29 HA3 GLY 29 36.845 27.117 19.542
215 H ILE 30 H ILE 30 36.228 27.705 16.354
216 HA ILE 30 HA ILE 30 39.035 27.204 15.601
217 HB ILE 30 HB ILE 30 36.644 26.135 14.108
218 HG12 ILE 30 HG12 ILE 30 38.379 24.712 16.139
219 HG13 ILE 30 HG13 ILE 30 36.695 25.168 16.370
220 HG21 ILE 30 HG21 ILE 30 39.416 26.304 13.534
221 HG22 ILE 30 HG22 ILE 30 39.013 24.606 13.781
222 HG23 ILE 30 HG23 ILE 30 38.139 25.553 12.577
223 HD11 ILE 30 HD11 ILE 30 36.699 22.877 15.848
224 HD12 ILE 30 HD12 ILE 30 36.166 23.704 14.384
225 HD13 ILE 30 HD13 ILE 30 37.820 23.104 14.506
226 H SER 31 H SER 31 36.462 29.300 15.350
227 HA SER 31 HA SER 31 37.425 30.366 12.777
228 HB2 SER 31 HB2 SER 31 34.769 29.852 13.742
229 HB3 SER 31 HB3 SER 31 34.956 31.580 13.447
230 HG SER 31 HG SER 31 34.391 30.765 11.510
231 H ASP 32 H ASP 32 37.719 30.815 15.991
232 HA ASP 32 HA ASP 32 37.230 33.468 16.551
233 HB2 ASP 32 HB2 ASP 32 38.822 31.355 17.676
234 HB3 ASP 32 HB3 ASP 32 39.719 32.869 17.746
235 HA PRO 33 HA PRO 33 39.946 35.931 14.144
236 HB2 PRO 33 HB2 PRO 33 40.570 37.921 15.882
237 HB3 PRO 33 HB3 PRO 33 38.978 37.766 15.130
238 HG2 PRO 33 HG2 PRO 33 39.871 36.932 17.863
239 HG3 PRO 33 HG3 PRO 33 38.370 37.741 17.375
240 HD2 PRO 33 HD2 PRO 33 38.495 35.084 17.882
241 HD3 PRO 33 HD3 PRO 33 37.390 35.775 16.676
242 H GLN 34 H GLN 34 41.151 35.437 17.463
243 HA GLN 34 HA GLN 34 43.830 35.992 17.018
244 HB2 GLN 34 HB2 GLN 34 42.504 34.083 18.939
245 HB3 GLN 34 HB3 GLN 34 44.234 34.399 18.958
246 HG2 GLN 34 HG2 GLN 34 43.863 36.715 19.460
247 HG3 GLN 34 HG3 GLN 34 42.121 36.517 19.274
248 HE21 GLN 34 HE21 GLN 34 42.929 37.612 21.543
249 HE22 GLN 34 HE22 GLN 34 42.807 36.506 22.864
250 H HIS 35 H HIS 35 41.963 33.231 16.094
251 HA HIS 35 HA HIS 35 43.905 31.271 15.821
252 HB2 HIS 35 HB2 HIS 35 41.245 31.455 15.218
253 HB3 HIS 35 HB3 HIS 35 41.963 31.378 13.612
254 HD1 HIS 35 HD1 HIS 35 40.238 29.065 14.532
255 HD2 HIS 35 HD2 HIS 35 44.346 29.220 15.131
256 HE1 HIS 35 HE1 HIS 35 40.966 26.675 14.819
257 H ARG 36 H ARG 36 43.302 34.098 13.884
258 HA ARG 36 HA ARG 36 44.665 33.357 11.544
259 HB2 ARG 36 HB2 ARG 36 43.398 35.673 12.554
260 HB3 ARG 36 HB3 ARG 36 45.026 36.153 12.093
261 HG2 ARG 36 HG2 ARG 36 43.319 34.556 10.226
262 HG3 ARG 36 HG3 ARG 36 43.137 36.307 10.353
263 HD2 ARG 36 HD2 ARG 36 44.800 36.488 8.886
264 HD3 ARG 36 HD3 ARG 36 45.878 35.903 10.153
265 HE ARG 36 HE ARG 36 44.931 33.618 9.099
266 HH11 ARG 36 HH12 ARG 36 46.319 36.469 7.663
267 HH12 ARG 36 HH11 ARG 36 47.000 35.619 6.316
268 HH21 ARG 36 HH22 ARG 36 45.823 32.486 7.330
269 HH22 ARG 36 HH21 ARG 36 46.716 33.353 6.127
270 H ARG 37 H ARG 37 45.824 35.307 14.300
271 HA ARG 37 HA ARG 37 48.499 35.438 13.419
272 HB2 ARG 37 HB2 ARG 37 49.016 36.242 15.653
273 HB3 ARG 37 HB3 ARG 37 47.532 36.987 15.074
274 HG2 ARG 37 HG2 ARG 37 46.272 36.033 16.672
275 HG3 ARG 37 HG3 ARG 37 47.177 34.519 16.631
276 HD2 ARG 37 HD2 ARG 37 49.022 35.655 17.845
277 HD3 ARG 37 HD3 ARG 37 48.003 37.087 17.977
278 HE ARG 37 HE ARG 37 46.795 34.689 19.013
279 HH11 ARG 37 HH12 ARG 37 48.844 37.413 19.720
280 HH12 ARG 37 HH11 ARG 37 48.547 37.360 21.426
281 HH21 ARG 37 HH22 ARG 37 46.396 34.608 21.257
282 HH22 ARG 37 HH21 ARG 37 47.155 35.763 22.300
283 H LYS 38 H LYS 38 46.702 32.945 14.932
284 HA LYS 38 HA LYS 38 49.033 31.571 15.981
285 HB2 LYS 38 HB2 LYS 38 46.320 31.555 16.604
286 HB3 LYS 38 HB3 LYS 38 46.594 29.992 15.847
287 HG2 LYS 38 HG2 LYS 38 46.944 29.605 18.114
288 HG3 LYS 38 HG3 LYS 38 48.571 29.763 17.448
289 HD2 LYS 38 HD2 LYS 38 48.690 31.081 19.346
290 HD3 LYS 38 HD3 LYS 38 48.309 32.267 18.095
291 HE2 LYS 38 HE2 LYS 38 46.804 32.838 19.742
292 HE3 LYS 38 HE3 LYS 38 45.839 31.743 18.752
293 HZ1 LYS 38 HZ1 LYS 38 45.514 31.116 20.988
294 HZ2 LYS 38 HZ2 LYS 38 47.170 31.149 21.332
295 HZ3 LYS 38 HZ3 LYS 38 46.540 29.945 20.326
296 H LEU 39 H LEU 39 47.051 31.563 13.138
297 HA LEU 39 HA LEU 39 48.173 29.030 12.214
298 HB2 LEU 39 HB2 LEU 39 45.701 30.073 11.932
299 HB3 LEU 39 HB3 LEU 39 46.443 30.616 10.429
300 HG LEU 39 HG LEU 39 47.097 28.134 10.123
301 HD11 LEU 39 HD11 LEU 39 46.604 27.223 12.236
302 HD12 LEU 39 HD12 LEU 39 45.336 26.638 11.160
303 HD13 LEU 39 HD13 LEU 39 45.005 27.966 12.273
304 HD21 LEU 39 HD21 LEU 39 44.152 28.571 9.939
305 HD22 LEU 39 HD22 LEU 39 45.258 27.843 8.774
306 HD23 LEU 39 HD23 LEU 39 45.240 29.593 8.999
307 H LEU 40 H LEU 40 48.677 32.396 11.923
308 HA LEU 40 HA LEU 40 49.964 32.309 9.348
309 HB2 LEU 40 HB2 LEU 40 49.308 34.345 11.362
310 HB3 LEU 40 HB3 LEU 40 50.795 34.643 10.463
311 HG LEU 40 HG LEU 40 48.108 34.177 9.176
312 HD11 LEU 40 HD11 LEU 40 48.673 36.343 10.671
313 HD12 LEU 40 HD12 LEU 40 47.645 36.380 9.239
314 HD13 LEU 40 HD13 LEU 40 49.340 36.851 9.120
315 HD21 LEU 40 HD21 LEU 40 49.108 34.626 7.161
316 HD22 LEU 40 HD22 LEU 40 50.410 33.772 7.989
317 HD23 LEU 40 HD23 LEU 40 50.431 35.534 7.893
318 H GLN 41 H GLN 41 50.979 32.408 12.730
319 HA GLN 41 HA GLN 41 53.774 32.544 12.102
320 HB2 GLN 41 HB2 GLN 41 52.151 32.254 14.586
321 HB3 GLN 41 HB3 GLN 41 53.845 31.786 14.642
322 HG2 GLN 41 HG2 GLN 41 52.751 34.487 13.895
323 HG3 GLN 41 HG3 GLN 41 53.593 34.061 15.384
324 HE21 GLN 41 HE21 GLN 41 54.023 35.755 12.754
325 HE22 GLN 41 HE22 GLN 41 55.701 35.494 12.437
326 H ALA 42 H ALA 42 51.438 30.036 12.447
327 HA ALA 42 HA ALA 42 53.428 27.955 12.842
328 HB1 ALA 42 HB1 ALA 42 50.498 27.551 12.301
329 HB2 ALA 42 HB2 ALA 42 51.626 26.453 13.095
330 HB3 ALA 42 HB3 ALA 42 51.128 27.940 13.902
331 H ALA 43 H ALA 43 51.353 29.212 10.293
332 HA ALA 43 HA ALA 43 51.959 27.135 8.420
333 HB1 ALA 43 HB1 ALA 43 50.755 28.455 6.818
334 HB2 ALA 43 HB2 ALA 43 49.883 28.499 8.352
335 HB3 ALA 43 HB3 ALA 43 50.857 29.882 7.850
336 H ARG 44 H ARG 44 53.302 30.278 9.196
337 HA ARG 44 HA ARG 44 54.896 30.579 6.878
338 HB2 ARG 44 HB2 ARG 44 55.941 32.380 8.000
339 HB3 ARG 44 HB3 ARG 44 54.275 32.373 8.565
340 HG2 ARG 44 HG2 ARG 44 55.258 32.586 10.576
341 HG3 ARG 44 HG3 ARG 44 55.398 30.831 10.452
342 HD2 ARG 44 HD2 ARG 44 57.551 31.424 11.012
343 HD3 ARG 44 HD3 ARG 44 57.646 31.377 9.252
344 HE ARG 44 HE ARG 44 56.987 33.973 10.270
345 HH11 ARG 44 HH12 ARG 44 59.594 31.771 9.580
346 HH12 ARG 44 HH11 ARG 44 60.778 33.023 9.400
347 HH21 ARG 44 HH22 ARG 44 58.537 35.631 10.036
348 HH22 ARG 44 HH21 ARG 44 60.176 35.218 9.661
349 HN1 NH2 45 HN1 NH2 45 55.266 28.752 9.819
350 HN2 NH2 45 HN2 NH2 45 56.858 28.146 9.504
Start of MODEL 6
1 H1 ACE 1 H1 ACE 1 7.698 2.316 1.685
2 H2 ACE 1 H2 ACE 1 9.247 2.158 0.822
3 H3 ACE 1 H3 ACE 1 9.158 3.108 2.325
4 H SER 2 H SER 2 6.575 3.222 0.066
5 HA SER 2 HA SER 2 7.539 5.781 -1.008
6 HB2 SER 2 HB2 SER 2 6.022 3.561 -2.126
7 HB3 SER 2 HB3 SER 2 5.222 5.110 -2.396
8 HG SER 2 HG SER 2 7.496 5.766 -3.058
9 H LYS 3 H LYS 3 5.041 4.302 0.894
10 HA LYS 3 HA LYS 3 3.329 6.631 0.866
11 HB2 LYS 3 HB2 LYS 3 3.148 3.876 1.768
12 HB3 LYS 3 HB3 LYS 3 2.526 4.994 2.975
13 HG2 LYS 3 HG2 LYS 3 0.683 4.395 1.656
14 HG3 LYS 3 HG3 LYS 3 1.140 6.013 1.117
15 HD2 LYS 3 HD2 LYS 3 1.308 5.239 -0.960
16 HD3 LYS 3 HD3 LYS 3 2.622 4.183 -0.437
17 HE2 LYS 3 HE2 LYS 3 -0.141 3.290 0.148
18 HE3 LYS 3 HE3 LYS 3 0.366 3.265 -1.540
19 HZ1 LYS 3 HZ1 LYS 3 0.790 1.246 0.091
20 HZ2 LYS 3 HZ2 LYS 3 2.202 2.118 0.416
21 HZ3 LYS 3 HZ3 LYS 3 1.858 1.624 -1.165
22 H LEU 4 H LEU 4 5.825 5.270 2.884
23 HA LEU 4 HA LEU 4 5.311 7.227 4.992
24 HB2 LEU 4 HB2 LEU 4 7.095 4.824 4.782
25 HB3 LEU 4 HB3 LEU 4 7.271 5.995 6.087
26 HG LEU 4 HG LEU 4 4.538 5.019 5.793
27 HD11 LEU 4 HD11 LEU 4 5.009 2.792 6.730
28 HD12 LEU 4 HD12 LEU 4 6.730 3.060 6.460
29 HD13 LEU 4 HD13 LEU 4 5.625 2.978 5.088
30 HD21 LEU 4 HD21 LEU 4 6.537 5.544 7.928
31 HD22 LEU 4 HD22 LEU 4 5.199 4.453 8.290
32 HD23 LEU 4 HD23 LEU 4 4.874 6.107 7.770
33 H LEU 5 H LEU 5 6.189 8.213 2.477
34 HA LEU 5 HA LEU 5 8.935 8.660 2.279
35 HB2 LEU 5 HB2 LEU 5 8.395 10.496 0.826
36 HB3 LEU 5 HB3 LEU 5 7.301 9.151 0.507
37 HG LEU 5 HG LEU 5 5.813 10.583 2.248
38 HD11 LEU 5 HD11 LEU 5 6.049 12.882 1.983
39 HD12 LEU 5 HD12 LEU 5 7.098 12.711 0.576
40 HD13 LEU 5 HD13 LEU 5 7.708 12.318 2.183
41 HD21 LEU 5 HD21 LEU 5 4.476 11.141 0.416
42 HD22 LEU 5 HD22 LEU 5 5.348 9.701 -0.112
43 HD23 LEU 5 HD23 LEU 5 5.861 11.296 -0.666
44 H LEU 6 H LEU 6 6.532 10.133 4.317
45 HA LEU 6 HA LEU 6 8.074 12.423 5.041
46 HB2 LEU 6 HB2 LEU 6 5.800 11.122 6.532
47 HB3 LEU 6 HB3 LEU 6 6.417 12.755 6.779
48 HG LEU 6 HG LEU 6 5.692 12.621 4.075
49 HD11 LEU 6 HD11 LEU 6 3.461 11.827 4.032
50 HD12 LEU 6 HD12 LEU 6 3.442 11.576 5.777
51 HD13 LEU 6 HD13 LEU 6 4.439 10.546 4.750
52 HD21 LEU 6 HD21 LEU 6 3.795 14.114 4.948
53 HD22 LEU 6 HD22 LEU 6 5.457 14.635 5.228
54 HD23 LEU 6 HD23 LEU 6 4.534 13.889 6.534
55 H ASN 7 H ASN 7 7.647 9.188 6.362
56 HA ASN 7 HA ASN 7 8.991 9.623 8.809
57 HB2 ASN 7 HB2 ASN 7 7.561 7.688 8.519
58 HB3 ASN 7 HB3 ASN 7 8.574 7.090 7.209
59 HD21 ASN 7 HD21 ASN 7 10.590 6.201 7.684
60 HD22 ASN 7 HD22 ASN 7 11.000 5.674 9.278
61 H GLY 8 H GLY 8 10.100 9.016 5.570
62 HA2 GLY 8 HA2 GLY 8 12.783 8.303 6.389
63 HA3 GLY 8 HA3 GLY 8 12.218 8.533 4.740
64 H PHE 9 H PHE 9 11.210 11.115 4.902
65 HA PHE 9 HA PHE 9 13.636 12.621 4.737
66 HB2 PHE 9 HB2 PHE 9 11.275 12.839 3.477
67 HB3 PHE 9 HB3 PHE 9 11.022 14.031 4.748
68 HD1 PHE 9 HD2 PHE 9 13.449 13.054 2.105
69 HD2 PHE 9 HD1 PHE 9 11.820 16.186 4.484
70 HE1 PHE 9 HE2 PHE 9 14.731 14.704 0.805
71 HE2 PHE 9 HE1 PHE 9 13.099 17.840 3.187
72 HZ PHE 9 HZ PHE 9 14.557 17.100 1.346
73 H ASP 10 H ASP 10 11.169 12.159 7.130
74 HA ASP 10 HA ASP 10 11.376 14.439 8.672
75 HB2 ASP 10 HB2 ASP 10 9.717 12.851 9.260
76 HB3 ASP 10 HB3 ASP 10 10.906 11.564 9.443
77 H ASP 11 H ASP 11 13.304 11.460 8.986
78 HA ASP 11 HA ASP 11 14.962 12.314 11.057
79 HB2 ASP 11 HB2 ASP 11 14.760 10.051 9.418
80 HB3 ASP 11 HB3 ASP 11 16.399 10.649 9.174
81 H VAL 12 H VAL 12 15.004 13.075 7.671
82 HA VAL 12 HA VAL 12 17.690 14.116 7.668
83 HB VAL 12 HB VAL 12 15.502 14.514 5.623
84 HG11 VAL 12 HG11 VAL 12 17.007 16.088 4.978
85 HG12 VAL 12 HG12 VAL 12 18.361 15.277 5.768
86 HG13 VAL 12 HG13 VAL 12 17.760 14.686 4.218
87 HG21 VAL 12 HG21 VAL 12 17.060 12.193 6.301
88 HG22 VAL 12 HG22 VAL 12 15.764 12.364 5.117
89 HG23 VAL 12 HG23 VAL 12 17.429 12.726 4.661
90 H HIS 13 H HIS 13 14.415 15.462 7.747
91 HA HIS 13 HA HIS 13 15.035 18.162 7.529
92 HB2 HIS 13 HB2 HIS 13 12.753 16.594 8.236
93 HB3 HIS 13 HB3 HIS 13 12.909 17.905 9.400
94 HD1 HIS 13 HD1 HIS 13 11.609 19.880 8.720
95 HD2 HIS 13 HD2 HIS 13 13.082 17.811 5.432
96 HE1 HIS 13 HE1 HIS 13 10.797 21.150 6.707
97 H PHE 14 H PHE 14 15.483 15.980 10.180
98 HA PHE 14 HA PHE 14 15.936 18.127 12.089
99 HB2 PHE 14 HB2 PHE 14 14.774 16.018 12.756
100 HB3 PHE 14 HB3 PHE 14 16.277 15.147 12.469
101 HD1 PHE 14 HD2 PHE 14 15.057 18.125 14.359
102 HD2 PHE 14 HD1 PHE 14 17.618 14.726 14.278
103 HE1 PHE 14 HE2 PHE 14 15.773 18.614 16.661
104 HE2 PHE 14 HE1 PHE 14 18.338 15.209 16.580
105 HZ PHE 14 HZ PHE 14 17.416 17.156 17.775
106 H LEU 15 H LEU 15 17.742 15.824 10.173
107 HA LEU 15 HA LEU 15 20.238 16.115 11.460
108 HB2 LEU 15 HB2 LEU 15 19.184 14.776 9.167
109 HB3 LEU 15 HB3 LEU 15 20.670 15.609 8.715
110 HG LEU 15 HG LEU 15 21.037 13.259 9.362
111 HD11 LEU 15 HD11 LEU 15 23.059 13.996 9.883
112 HD12 LEU 15 HD12 LEU 15 22.512 14.284 11.534
113 HD13 LEU 15 HD13 LEU 15 22.401 15.570 10.332
114 HD21 LEU 15 HD21 LEU 15 20.869 12.683 11.774
115 HD22 LEU 15 HD22 LEU 15 19.308 12.955 10.998
116 HD23 LEU 15 HD23 LEU 15 20.007 14.200 12.035
117 H GLY 16 H GLY 16 18.841 17.718 8.609
118 HA2 GLY 16 HA2 GLY 16 20.995 19.289 7.865
119 HA3 GLY 16 HA3 GLY 16 19.313 19.752 7.651
120 H SER 17 H SER 17 18.452 20.084 10.221
121 HA SER 17 HA SER 17 19.515 22.639 10.853
122 HB2 SER 17 HB2 SER 17 17.676 20.893 12.508
123 HB3 SER 17 HB3 SER 17 17.933 22.625 12.718
124 HG SER 17 HG SER 17 17.163 22.799 10.476
125 H ASN 18 H ASN 18 20.527 19.520 11.629
126 HA ASN 18 HA ASN 18 21.765 20.279 14.156
127 HB2 ASN 18 HB2 ASN 18 20.745 17.891 13.207
128 HB3 ASN 18 HB3 ASN 18 22.485 17.660 13.071
129 HD21 ASN 18 HD21 ASN 18 19.859 17.447 15.087
130 HD22 ASN 18 HD22 ASN 18 20.685 17.347 16.601
131 H VAL 19 H VAL 19 22.745 19.136 10.936
132 HA VAL 19 HA VAL 19 25.498 19.154 11.295
133 HB VAL 19 HB VAL 19 24.074 19.932 8.748
134 HG11 VAL 19 HG11 VAL 19 26.776 18.686 9.246
135 HG12 VAL 19 HG12 VAL 19 26.055 18.968 7.660
136 HG13 VAL 19 HG13 VAL 19 26.470 20.333 8.697
137 HG21 VAL 19 HG21 VAL 19 23.137 17.910 8.821
138 HG22 VAL 19 HG22 VAL 19 24.756 17.254 8.577
139 HG23 VAL 19 HG23 VAL 19 24.112 17.425 10.209
140 H MET 20 H MET 20 23.284 21.801 10.799
141 HA MET 20 HA MET 20 25.331 23.727 10.188
142 HB2 MET 20 HB2 MET 20 23.609 25.304 10.020
143 HB3 MET 20 HB3 MET 20 22.857 23.806 9.489
144 HG2 MET 20 HG2 MET 20 21.971 23.539 11.818
145 HG3 MET 20 HG3 MET 20 22.553 25.169 12.148
146 HE1 MET 20 HE1 MET 20 20.503 27.536 10.994
147 HE2 MET 20 HE2 MET 20 22.173 27.026 10.749
148 HE3 MET 20 HE3 MET 20 21.070 27.125 9.376
149 H GLU 21 H GLU 21 23.597 22.651 13.040
150 HA GLU 21 HA GLU 21 24.439 24.775 14.737
151 HB2 GLU 21 HB2 GLU 21 22.495 23.551 15.377
152 HB3 GLU 21 HB3 GLU 21 23.353 22.018 15.295
153 HG2 GLU 21 HG2 GLU 21 23.990 22.179 17.407
154 HG3 GLU 21 HG3 GLU 21 24.643 23.796 17.149
155 H GLU 22 H GLU 22 25.753 21.634 13.888
156 HA GLU 22 HA GLU 22 27.799 21.688 15.902
157 HB2 GLU 22 HB2 GLU 22 28.686 19.707 14.730
158 HB3 GLU 22 HB3 GLU 22 26.972 19.555 15.091
159 HG2 GLU 22 HG2 GLU 22 26.446 20.184 12.776
160 HG3 GLU 22 HG3 GLU 22 28.171 20.272 12.425
161 H GLN 23 H GLN 23 27.464 22.791 12.629
162 HA GLN 23 HA GLN 23 30.299 23.132 12.207
163 HB2 GLN 23 HB2 GLN 23 27.950 23.135 10.586
164 HB3 GLN 23 HB3 GLN 23 28.788 24.663 10.345
165 HG2 GLN 23 HG2 GLN 23 30.830 23.475 9.777
166 HG3 GLN 23 HG3 GLN 23 30.022 21.933 10.059
167 HE21 GLN 23 HE21 GLN 23 29.051 20.988 8.402
168 HE22 GLN 23 HE22 GLN 23 28.701 21.731 6.882
169 H ASP 24 H ASP 24 27.604 25.046 13.306
170 HA ASP 24 HA ASP 24 28.949 27.571 13.051
171 HB2 ASP 24 HB2 ASP 24 26.406 27.132 13.082
172 HB3 ASP 24 HB3 ASP 24 26.580 27.053 14.833
173 H LEU 25 H LEU 25 28.750 25.072 15.436
174 HA LEU 25 HA LEU 25 29.691 26.726 17.607
175 HB2 LEU 25 HB2 LEU 25 28.641 24.056 17.273
176 HB3 LEU 25 HB3 LEU 25 30.080 24.050 18.291
177 HG LEU 25 HG LEU 25 28.130 24.190 19.683
178 HD11 LEU 25 HD11 LEU 25 30.178 25.547 20.231
179 HD12 LEU 25 HD12 LEU 25 28.680 26.088 20.987
180 HD13 LEU 25 HD13 LEU 25 29.323 26.950 19.589
181 HD21 LEU 25 HD21 LEU 25 26.396 25.714 19.445
182 HD22 LEU 25 HD22 LEU 25 26.760 25.267 17.777
183 HD23 LEU 25 HD23 LEU 25 27.351 26.796 18.431
184 H ARG 26 H ARG 26 31.062 24.726 15.136
185 HA ARG 26 HA ARG 26 33.659 24.608 16.445
186 HB2 ARG 26 HB2 ARG 26 34.323 23.130 14.722
187 HB3 ARG 26 HB3 ARG 26 32.665 22.691 15.109
188 HG2 ARG 26 HG2 ARG 26 31.869 23.909 13.160
189 HG3 ARG 26 HG3 ARG 26 33.522 24.399 12.782
190 HD2 ARG 26 HD2 ARG 26 33.139 22.569 11.384
191 HD3 ARG 26 HD3 ARG 26 34.050 21.893 12.734
192 HE ARG 26 HE ARG 26 31.244 21.693 13.161
193 HH11 ARG 26 HH12 ARG 26 33.908 20.260 11.437
194 HH12 ARG 26 HH11 ARG 26 33.171 18.695 11.337
195 HH21 ARG 26 HH22 ARG 26 30.264 19.637 13.035
196 HH22 ARG 26 HH21 ARG 26 31.098 18.342 12.246
197 H ASP 27 H ASP 27 32.032 26.304 13.856
198 HA ASP 27 HA ASP 27 34.169 27.365 12.457
199 HB2 ASP 27 HB2 ASP 27 31.968 27.717 11.617
200 HB3 ASP 27 HB3 ASP 27 31.460 28.529 13.095
201 H ILE 28 H ILE 28 32.565 28.693 15.340
202 HA ILE 28 HA ILE 28 34.050 31.022 15.610
203 HB ILE 28 HB ILE 28 33.015 29.313 17.875
204 HG12 ILE 28 HG12 ILE 28 31.232 29.761 16.280
205 HG13 ILE 28 HG13 ILE 28 30.989 30.730 17.729
206 HG21 ILE 28 HG21 ILE 28 34.008 32.118 17.671
207 HG22 ILE 28 HG22 ILE 28 32.755 31.724 18.846
208 HG23 ILE 28 HG23 ILE 28 34.314 30.903 18.912
209 HD11 ILE 28 HD11 ILE 28 31.932 31.621 15.028
210 HD12 ILE 28 HD12 ILE 28 30.517 32.153 15.935
211 HD13 ILE 28 HD13 ILE 28 32.132 32.613 16.471
212 H GLY 29 H GLY 29 34.942 27.732 16.254
213 HA2 GLY 29 HA2 GLY 29 37.244 28.446 17.865
214 HA3 GLY 29 HA3 GLY 29 36.792 26.830 17.345
215 H ILE 30 H ILE 30 36.555 27.791 14.521
216 HA ILE 30 HA ILE 30 39.388 27.523 13.876
217 HB ILE 30 HB ILE 30 37.050 27.489 11.969
218 HG12 ILE 30 HG12 ILE 30 38.454 25.141 13.262
219 HG13 ILE 30 HG13 ILE 30 36.854 25.725 13.707
220 HG21 ILE 30 HG21 ILE 30 39.070 27.891 10.800
221 HG22 ILE 30 HG22 ILE 30 39.936 26.674 11.736
222 HG23 ILE 30 HG23 ILE 30 38.699 26.182 10.579
223 HD11 ILE 30 HD11 ILE 30 36.202 24.105 12.293
224 HD12 ILE 30 HD12 ILE 30 36.486 25.354 11.080
225 HD13 ILE 30 HD13 ILE 30 37.717 24.130 11.391
226 H SER 31 H SER 31 37.061 29.949 14.144
227 HA SER 31 HA SER 31 38.538 31.713 12.307
228 HB2 SER 31 HB2 SER 31 35.729 31.325 12.767
229 HB3 SER 31 HB3 SER 31 36.161 32.988 13.168
230 HG SER 31 HG SER 31 36.480 31.620 10.717
231 H ASP 32 H ASP 32 38.429 30.911 15.461
232 HA ASP 32 HA ASP 32 38.179 33.216 16.946
233 HB2 ASP 32 HB2 ASP 32 39.540 30.644 17.267
234 HB3 ASP 32 HB3 ASP 32 40.308 31.953 18.160
235 HA PRO 33 HA PRO 33 41.460 35.927 15.883
236 HB2 PRO 33 HB2 PRO 33 42.044 37.042 18.288
237 HB3 PRO 33 HB3 PRO 33 40.568 37.414 17.390
238 HG2 PRO 33 HG2 PRO 33 40.965 35.531 19.683
239 HG3 PRO 33 HG3 PRO 33 39.647 36.682 19.396
240 HD2 PRO 33 HD2 PRO 33 39.406 34.034 18.883
241 HD3 PRO 33 HD3 PRO 33 38.567 35.273 17.927
242 H GLN 34 H GLN 34 42.125 34.124 18.888
243 HA GLN 34 HA GLN 34 44.878 34.374 18.937
244 HB2 GLN 34 HB2 GLN 34 43.099 32.114 19.844
245 HB3 GLN 34 HB3 GLN 34 44.830 32.145 20.154
246 HG2 GLN 34 HG2 GLN 34 43.840 34.635 20.985
247 HG3 GLN 34 HG3 GLN 34 42.708 33.422 21.581
248 HE21 GLN 34 HE21 GLN 34 43.240 33.529 23.705
249 HE22 GLN 34 HE22 GLN 34 44.782 33.071 24.336
250 H HIS 35 H HIS 35 42.881 32.403 16.893
251 HA HIS 35 HA HIS 35 44.616 30.423 16.069
252 HB2 HIS 35 HB2 HIS 35 42.123 31.263 15.303
253 HB3 HIS 35 HB3 HIS 35 43.082 31.633 13.873
254 HD1 HIS 35 HD1 HIS 35 40.951 29.464 13.713
255 HD2 HIS 35 HD2 HIS 35 44.920 28.716 14.689
256 HE1 HIS 35 HE1 HIS 35 41.335 27.042 13.156
257 H ARG 36 H ARG 36 44.387 33.765 14.925
258 HA ARG 36 HA ARG 36 46.277 33.548 12.849
259 HB2 ARG 36 HB2 ARG 36 44.749 35.629 14.111
260 HB3 ARG 36 HB3 ARG 36 46.408 36.170 13.892
261 HG2 ARG 36 HG2 ARG 36 46.138 35.320 11.477
262 HG3 ARG 36 HG3 ARG 36 44.408 35.348 11.826
263 HD2 ARG 36 HD2 ARG 36 45.267 37.788 12.757
264 HD3 ARG 36 HD3 ARG 36 46.258 37.545 11.319
265 HE ARG 36 HE ARG 36 43.583 36.945 10.707
266 HH11 ARG 36 HH12 ARG 36 45.618 39.664 11.474
267 HH12 ARG 36 HH11 ARG 36 44.660 40.799 10.582
268 HH21 ARG 36 HH22 ARG 36 42.314 38.430 9.529
269 HH22 ARG 36 HH21 ARG 36 42.780 40.096 9.476
270 H ARG 37 H ARG 37 46.597 34.187 16.289
271 HA ARG 37 HA ARG 37 49.363 34.905 16.167
272 HB2 ARG 37 HB2 ARG 37 47.355 34.428 18.295
273 HB3 ARG 37 HB3 ARG 37 49.039 34.197 18.743
274 HG2 ARG 37 HG2 ARG 37 49.580 36.444 18.184
275 HG3 ARG 37 HG3 ARG 37 48.002 36.698 17.436
276 HD2 ARG 37 HD2 ARG 37 46.994 36.225 19.704
277 HD3 ARG 37 HD3 ARG 37 48.631 36.313 20.354
278 HE ARG 37 HE ARG 37 48.566 38.594 20.130
279 HH11 ARG 37 HH12 ARG 37 45.938 37.182 18.335
280 HH12 ARG 37 HH11 ARG 37 45.176 38.702 18.003
281 HH21 ARG 37 HH22 ARG 37 47.573 40.601 19.699
282 HH22 ARG 37 HH21 ARG 37 46.108 40.646 18.778
283 H LYS 38 H LYS 38 47.567 31.935 16.613
284 HA LYS 38 HA LYS 38 49.899 30.407 17.369
285 HB2 LYS 38 HB2 LYS 38 47.076 30.042 17.460
286 HB3 LYS 38 HB3 LYS 38 47.758 28.722 16.520
287 HG2 LYS 38 HG2 LYS 38 49.302 28.230 18.370
288 HG3 LYS 38 HG3 LYS 38 48.549 29.517 19.315
289 HD2 LYS 38 HD2 LYS 38 46.765 27.445 18.163
290 HD3 LYS 38 HD3 LYS 38 47.798 26.968 19.512
291 HE2 LYS 38 HE2 LYS 38 46.042 29.411 19.578
292 HE3 LYS 38 HE3 LYS 38 45.490 27.823 20.108
293 HZ1 LYS 38 HZ1 LYS 38 47.952 28.336 21.326
294 HZ2 LYS 38 HZ2 LYS 38 46.434 28.194 22.059
295 HZ3 LYS 38 HZ3 LYS 38 46.985 29.708 21.542
296 H LEU 39 H LEU 39 48.293 31.312 14.461
297 HA LEU 39 HA LEU 39 49.523 29.194 12.893
298 HB2 LEU 39 HB2 LEU 39 47.178 30.239 12.552
299 HB3 LEU 39 HB3 LEU 39 48.055 31.543 11.755
300 HG LEU 39 HG LEU 39 49.070 29.514 10.378
301 HD11 LEU 39 HD11 LEU 39 46.301 28.478 10.782
302 HD12 LEU 39 HD12 LEU 39 47.591 27.981 11.877
303 HD13 LEU 39 HD13 LEU 39 47.728 27.658 10.148
304 HD21 LEU 39 HD21 LEU 39 47.938 31.384 9.376
305 HD22 LEU 39 HD22 LEU 39 46.373 30.789 9.933
306 HD23 LEU 39 HD23 LEU 39 47.274 29.893 8.709
307 H LEU 40 H LEU 40 50.125 32.457 13.806
308 HA LEU 40 HA LEU 40 51.837 33.145 11.627
309 HB2 LEU 40 HB2 LEU 40 50.713 34.833 12.989
310 HB3 LEU 40 HB3 LEU 40 51.636 34.315 14.398
311 HG LEU 40 HG LEU 40 53.694 35.104 13.359
312 HD11 LEU 40 HD11 LEU 40 53.678 35.041 11.114
313 HD12 LEU 40 HD12 LEU 40 53.047 36.681 11.260
314 HD13 LEU 40 HD13 LEU 40 51.941 35.330 11.012
315 HD21 LEU 40 HD21 LEU 40 52.786 36.760 14.690
316 HD22 LEU 40 HD22 LEU 40 51.379 36.974 13.649
317 HD23 LEU 40 HD23 LEU 40 52.954 37.585 13.141
318 H GLN 41 H GLN 41 52.411 32.076 14.968
319 HA GLN 41 HA GLN 41 55.242 32.046 14.728
320 HB2 GLN 41 HB2 GLN 41 55.258 30.984 16.870
321 HB3 GLN 41 HB3 GLN 41 53.971 32.182 16.885
322 HG2 GLN 41 HG2 GLN 41 52.757 30.522 17.757
323 HG3 GLN 41 HG3 GLN 41 52.605 29.996 16.081
324 HE21 GLN 41 HE21 GLN 41 52.524 27.843 16.331
325 HE22 GLN 41 HE22 GLN 41 53.774 26.889 17.046
326 H ALA 42 H ALA 42 52.740 29.822 13.875
327 HA ALA 42 HA ALA 42 54.541 27.556 13.663
328 HB1 ALA 42 HB1 ALA 42 51.633 27.979 13.515
329 HB2 ALA 42 HB2 ALA 42 52.272 26.709 12.470
330 HB3 ALA 42 HB3 ALA 42 52.556 26.645 14.209
331 H ALA 43 H ALA 43 53.141 30.002 11.620
332 HA ALA 43 HA ALA 43 53.890 28.649 9.167
333 HB1 ALA 43 HB1 ALA 43 52.697 31.370 9.678
334 HB2 ALA 43 HB2 ALA 43 53.032 30.712 8.076
335 HB3 ALA 43 HB3 ALA 43 51.856 29.920 9.126
336 H ARG 44 H ARG 44 55.227 30.956 11.358
337 HA ARG 44 HA ARG 44 57.034 32.227 9.578
338 HB2 ARG 44 HB2 ARG 44 56.788 32.000 12.549
339 HB3 ARG 44 HB3 ARG 44 58.283 32.623 11.864
340 HG2 ARG 44 HG2 ARG 44 56.204 33.979 10.558
341 HG3 ARG 44 HG3 ARG 44 55.783 33.951 12.271
342 HD2 ARG 44 HD2 ARG 44 58.461 34.816 11.190
343 HD3 ARG 44 HD3 ARG 44 57.145 35.923 11.581
344 HE ARG 44 HE ARG 44 57.555 34.427 13.852
345 HH11 ARG 44 HH12 ARG 44 59.453 36.558 11.858
346 HH12 ARG 44 HH11 ARG 44 60.459 37.095 13.163
347 HH21 ARG 44 HH22 ARG 44 58.872 35.126 15.578
348 HH22 ARG 44 HH21 ARG 44 60.128 36.280 15.278
349 HN1 NH2 45 HN1 NH2 45 57.179 29.307 11.552
350 HN2 NH2 45 HN2 NH2 45 58.728 28.765 10.998
Start of MODEL 7
1 H1 ACE 1 H1 ACE 1 3.761 3.676 -0.978
2 H2 ACE 1 H2 ACE 1 2.476 4.776 -0.424
3 H3 ACE 1 H3 ACE 1 2.931 4.733 -2.145
4 H SER 2 H SER 2 2.933 6.806 0.066
5 HA SER 2 HA SER 2 5.705 7.717 -0.353
6 HB2 SER 2 HB2 SER 2 3.345 8.959 -1.149
7 HB3 SER 2 HB3 SER 2 3.815 9.831 0.311
8 HG SER 2 HG SER 2 4.742 10.310 -2.000
9 H LYS 3 H LYS 3 3.120 7.244 1.921
10 HA LYS 3 HA LYS 3 3.969 8.754 4.083
11 HB2 LYS 3 HB2 LYS 3 2.089 6.683 3.615
12 HB3 LYS 3 HB3 LYS 3 3.022 6.222 5.032
13 HG2 LYS 3 HG2 LYS 3 2.542 8.577 5.896
14 HG3 LYS 3 HG3 LYS 3 1.323 8.657 4.622
15 HD2 LYS 3 HD2 LYS 3 1.413 6.379 6.577
16 HD3 LYS 3 HD3 LYS 3 0.575 7.886 6.951
17 HE2 LYS 3 HE2 LYS 3 -1.175 6.827 5.999
18 HE3 LYS 3 HE3 LYS 3 -0.428 7.389 4.505
19 HZ1 LYS 3 HZ1 LYS 3 0.380 4.798 5.630
20 HZ2 LYS 3 HZ2 LYS 3 0.376 5.313 4.019
21 HZ3 LYS 3 HZ3 LYS 3 -1.079 4.907 4.780
22 H LEU 4 H LEU 4 5.023 5.543 3.046
23 HA LEU 4 HA LEU 4 6.628 4.913 5.250
24 HB2 LEU 4 HB2 LEU 4 7.815 3.395 3.691
25 HB3 LEU 4 HB3 LEU 4 6.061 3.227 3.661
26 HG LEU 4 HG LEU 4 7.018 5.071 1.631
27 HD11 LEU 4 HD11 LEU 4 8.264 3.635 0.276
28 HD12 LEU 4 HD12 LEU 4 7.842 2.215 1.233
29 HD13 LEU 4 HD13 LEU 4 8.954 3.419 1.885
30 HD21 LEU 4 HD21 LEU 4 5.233 2.688 1.842
31 HD22 LEU 4 HD22 LEU 4 5.746 3.255 0.252
32 HD23 LEU 4 HD23 LEU 4 4.858 4.334 1.329
33 H LEU 5 H LEU 5 7.221 6.937 2.462
34 HA LEU 5 HA LEU 5 10.048 7.181 2.959
35 HB2 LEU 5 HB2 LEU 5 8.529 7.536 0.764
36 HB3 LEU 5 HB3 LEU 5 8.670 9.206 1.310
37 HG LEU 5 HG LEU 5 11.272 8.158 1.375
38 HD11 LEU 5 HD11 LEU 5 11.070 6.394 -0.036
39 HD12 LEU 5 HD12 LEU 5 11.251 7.669 -1.240
40 HD13 LEU 5 HD13 LEU 5 9.647 7.054 -0.842
41 HD21 LEU 5 HD21 LEU 5 11.730 9.866 -0.195
42 HD22 LEU 5 HD22 LEU 5 10.415 10.468 0.815
43 HD23 LEU 5 HD23 LEU 5 10.075 9.854 -0.804
44 H LEU 6 H LEU 6 7.147 9.073 3.603
45 HA LEU 6 HA LEU 6 8.332 11.449 4.451
46 HB2 LEU 6 HB2 LEU 6 5.737 10.129 4.763
47 HB3 LEU 6 HB3 LEU 6 6.144 11.237 6.072
48 HG LEU 6 HG LEU 6 6.508 13.011 4.339
49 HD11 LEU 6 HD11 LEU 6 6.255 10.808 2.590
50 HD12 LEU 6 HD12 LEU 6 6.519 12.503 2.183
51 HD13 LEU 6 HD13 LEU 6 4.877 11.871 2.302
52 HD21 LEU 6 HD21 LEU 6 4.192 13.527 4.121
53 HD22 LEU 6 HD22 LEU 6 4.412 12.723 5.676
54 HD23 LEU 6 HD23 LEU 6 3.735 11.834 4.310
55 H ASN 7 H ASN 7 7.639 8.476 6.233
56 HA ASN 7 HA ASN 7 8.392 9.454 8.780
57 HB2 ASN 7 HB2 ASN 7 7.967 6.743 7.590
58 HB3 ASN 7 HB3 ASN 7 8.762 6.868 9.156
59 HD21 ASN 7 HD21 ASN 7 7.203 6.075 10.443
60 HD22 ASN 7 HD22 ASN 7 5.636 6.779 10.628
61 H GLY 8 H GLY 8 10.187 8.226 6.071
62 HA2 GLY 8 HA2 GLY 8 12.603 7.777 7.608
63 HA3 GLY 8 HA3 GLY 8 12.426 7.617 5.867
64 H PHE 9 H PHE 9 11.329 10.234 5.427
65 HA PHE 9 HA PHE 9 13.749 11.695 5.178
66 HB2 PHE 9 HB2 PHE 9 11.373 11.779 3.889
67 HB3 PHE 9 HB3 PHE 9 11.195 13.173 4.950
68 HD1 PHE 9 HD1 PHE 9 13.268 14.795 4.986
69 HD2 PHE 9 HD2 PHE 9 12.366 12.073 1.841
70 HE1 PHE 9 HE1 PHE 9 14.613 16.149 3.432
71 HE2 PHE 9 HE2 PHE 9 13.710 13.422 0.283
72 HZ PHE 9 HZ PHE 9 14.836 15.463 1.078
73 H ASP 10 H ASP 10 11.251 11.581 7.574
74 HA ASP 10 HA ASP 10 11.458 14.048 8.798
75 HB2 ASP 10 HB2 ASP 10 10.080 11.795 9.345
76 HB3 ASP 10 HB3 ASP 10 11.301 11.708 10.612
77 H ASP 11 H ASP 11 13.435 11.152 9.375
78 HA ASP 11 HA ASP 11 15.056 12.252 11.389
79 HB2 ASP 11 HB2 ASP 11 14.980 9.858 11.027
80 HB3 ASP 11 HB3 ASP 11 15.631 10.047 9.401
81 H VAL 12 H VAL 12 15.180 12.467 7.909
82 HA VAL 12 HA VAL 12 17.849 13.514 7.791
83 HB VAL 12 HB VAL 12 15.684 13.689 5.692
84 HG11 VAL 12 HG11 VAL 12 17.434 15.204 5.171
85 HG12 VAL 12 HG12 VAL 12 18.674 14.024 5.598
86 HG13 VAL 12 HG13 VAL 12 17.681 13.780 4.161
87 HG21 VAL 12 HG21 VAL 12 17.342 11.711 4.861
88 HG22 VAL 12 HG22 VAL 12 17.357 11.452 6.605
89 HG23 VAL 12 HG23 VAL 12 15.828 11.443 5.726
90 H HIS 13 H HIS 13 14.588 14.893 7.661
91 HA HIS 13 HA HIS 13 15.244 17.533 7.097
92 HB2 HIS 13 HB2 HIS 13 12.934 16.097 7.962
93 HB3 HIS 13 HB3 HIS 13 13.092 17.540 8.960
94 HD1 HIS 13 HD1 HIS 13 11.781 19.400 8.026
95 HD2 HIS 13 HD2 HIS 13 13.362 16.991 5.034
96 HE1 HIS 13 HE1 HIS 13 11.023 20.432 5.862
97 H PHE 14 H PHE 14 15.638 15.713 10.015
98 HA PHE 14 HA PHE 14 16.043 18.063 11.664
99 HB2 PHE 14 HB2 PHE 14 14.969 16.039 12.597
100 HB3 PHE 14 HB3 PHE 14 16.456 15.138 12.321
101 HD1 PHE 14 HD2 PHE 14 15.900 18.553 13.696
102 HD2 PHE 14 HD1 PHE 14 17.303 14.596 14.395
103 HE1 PHE 14 HE2 PHE 14 16.722 19.239 15.911
104 HE2 PHE 14 HE1 PHE 14 18.126 15.276 16.612
105 HZ PHE 14 HZ PHE 14 17.837 17.600 17.372
106 H LEU 15 H LEU 15 17.954 15.605 10.048
107 HA LEU 15 HA LEU 15 20.424 16.027 11.256
108 HB2 LEU 15 HB2 LEU 15 19.415 14.733 8.896
109 HB3 LEU 15 HB3 LEU 15 20.931 15.558 8.536
110 HG LEU 15 HG LEU 15 21.174 13.156 9.160
111 HD11 LEU 15 HD11 LEU 15 23.187 13.513 10.174
112 HD12 LEU 15 HD12 LEU 15 22.543 14.725 11.281
113 HD13 LEU 15 HD13 LEU 15 22.848 15.144 9.596
114 HD21 LEU 15 HD21 LEU 15 20.886 12.472 11.445
115 HD22 LEU 15 HD22 LEU 15 19.366 13.150 10.862
116 HD23 LEU 15 HD23 LEU 15 20.410 14.103 11.919
117 H GLY 16 H GLY 16 19.016 17.626 8.406
118 HA2 GLY 16 HA2 GLY 16 21.142 19.263 7.716
119 HA3 GLY 16 HA3 GLY 16 19.452 19.675 7.467
120 H SER 17 H SER 17 18.561 19.909 10.069
121 HA SER 17 HA SER 17 19.503 22.512 10.726
122 HB2 SER 17 HB2 SER 17 17.646 22.646 12.023
123 HB3 SER 17 HB3 SER 17 17.182 21.162 11.190
124 HG SER 17 HG SER 17 17.038 20.563 13.246
125 H ASN 18 H ASN 18 20.611 19.419 11.499
126 HA ASN 18 HA ASN 18 21.799 20.211 14.038
127 HB2 ASN 18 HB2 ASN 18 20.884 17.785 13.038
128 HB3 ASN 18 HB3 ASN 18 22.637 17.625 12.990
129 HD21 ASN 18 HD21 ASN 18 19.949 17.231 14.857
130 HD22 ASN 18 HD22 ASN 18 20.691 17.195 16.417
131 H VAL 19 H VAL 19 22.845 19.117 10.823
132 HA VAL 19 HA VAL 19 25.594 19.221 11.212
133 HB VAL 19 HB VAL 19 24.165 19.950 8.654
134 HG11 VAL 19 HG11 VAL 19 26.407 20.441 8.313
135 HG12 VAL 19 HG12 VAL 19 26.957 19.105 9.326
136 HG13 VAL 19 HG13 VAL 19 26.278 18.782 7.730
137 HG21 VAL 19 HG21 VAL 19 23.390 17.872 8.559
138 HG22 VAL 19 HG22 VAL 19 25.042 17.261 8.633
139 HG23 VAL 19 HG23 VAL 19 24.125 17.505 10.120
140 H MET 20 H MET 20 23.298 21.793 10.701
141 HA MET 20 HA MET 20 25.287 23.787 10.112
142 HB2 MET 20 HB2 MET 20 23.517 25.306 9.926
143 HB3 MET 20 HB3 MET 20 22.819 23.784 9.388
144 HG2 MET 20 HG2 MET 20 21.919 23.489 11.708
145 HG3 MET 20 HG3 MET 20 22.446 25.136 12.044
146 HE1 MET 20 HE1 MET 20 19.779 27.168 11.412
147 HE2 MET 20 HE2 MET 20 19.208 25.807 12.377
148 HE3 MET 20 HE3 MET 20 20.869 26.376 12.550
149 H GLU 21 H GLU 21 23.561 22.649 12.944
150 HA GLU 21 HA GLU 21 24.314 24.797 14.653
151 HB2 GLU 21 HB2 GLU 21 22.405 23.509 15.271
152 HB3 GLU 21 HB3 GLU 21 23.313 22.005 15.195
153 HG2 GLU 21 HG2 GLU 21 23.921 22.183 17.314
154 HG3 GLU 21 HG3 GLU 21 24.524 23.821 17.065
155 H GLU 22 H GLU 22 25.741 21.705 13.810
156 HA GLU 22 HA GLU 22 27.762 21.821 15.848
157 HB2 GLU 22 HB2 GLU 22 28.713 19.863 14.716
158 HB3 GLU 22 HB3 GLU 22 26.989 19.668 14.995
159 HG2 GLU 22 HG2 GLU 22 26.572 20.327 12.652
160 HG3 GLU 22 HG3 GLU 22 28.314 20.396 12.394
161 H GLN 23 H GLN 23 27.426 22.917 12.572
162 HA GLN 23 HA GLN 23 30.253 23.355 12.183
163 HB2 GLN 23 HB2 GLN 23 27.927 23.276 10.533
164 HB3 GLN 23 HB3 GLN 23 28.711 24.833 10.303
165 HG2 GLN 23 HG2 GLN 23 30.800 23.723 9.756
166 HG3 GLN 23 HG3 GLN 23 30.051 22.151 10.034
167 HE21 GLN 23 HE21 GLN 23 28.112 21.690 8.684
168 HE22 GLN 23 HE22 GLN 23 28.144 22.212 7.037
169 H ASP 24 H ASP 24 27.484 25.171 13.257
170 HA ASP 24 HA ASP 24 28.735 27.744 13.011
171 HB2 ASP 24 HB2 ASP 24 26.210 27.210 13.031
172 HB3 ASP 24 HB3 ASP 24 26.380 27.137 14.783
173 H LEU 25 H LEU 25 28.619 25.239 15.395
174 HA LEU 25 HA LEU 25 29.501 26.931 17.564
175 HB2 LEU 25 HB2 LEU 25 28.433 24.298 17.272
176 HB3 LEU 25 HB3 LEU 25 29.945 24.208 18.173
177 HG LEU 25 HG LEU 25 29.052 25.824 19.799
178 HD11 LEU 25 HD11 LEU 25 26.276 25.574 19.013
179 HD12 LEU 25 HD12 LEU 25 27.233 26.428 17.803
180 HD13 LEU 25 HD13 LEU 25 27.198 27.007 19.469
181 HD21 LEU 25 HD21 LEU 25 28.819 23.488 20.298
182 HD22 LEU 25 HD22 LEU 25 27.372 23.371 19.296
183 HD23 LEU 25 HD23 LEU 25 27.340 24.316 20.785
184 H ARG 26 H ARG 26 30.931 24.946 15.113
185 HA ARG 26 HA ARG 26 33.527 24.916 16.432
186 HB2 ARG 26 HB2 ARG 26 34.236 23.431 14.730
187 HB3 ARG 26 HB3 ARG 26 32.594 22.947 15.132
188 HG2 ARG 26 HG2 ARG 26 31.777 24.188 13.166
189 HG3 ARG 26 HG3 ARG 26 33.447 24.577 12.749
190 HD2 ARG 26 HD2 ARG 26 32.730 22.687 11.444
191 HD3 ARG 26 HD3 ARG 26 33.933 22.154 12.618
192 HE ARG 26 HE ARG 26 31.317 21.828 13.652
193 HH11 ARG 26 HH12 ARG 26 33.561 20.455 11.372
194 HH12 ARG 26 HH11 ARG 26 32.895 18.859 11.480
195 HH21 ARG 26 HH22 ARG 26 30.432 19.732 13.803
196 HH22 ARG 26 HH21 ARG 26 31.115 18.449 12.863
197 H ASP 27 H ASP 27 31.860 26.518 13.809
198 HA ASP 27 HA ASP 27 33.960 27.612 12.386
199 HB2 ASP 27 HB2 ASP 27 31.576 27.817 11.751
200 HB3 ASP 27 HB3 ASP 27 31.343 28.974 13.059
201 H ILE 28 H ILE 28 32.348 28.955 15.258
202 HA ILE 28 HA ILE 28 33.795 31.312 15.484
203 HB ILE 28 HB ILE 28 32.798 29.623 17.780
204 HG12 ILE 28 HG12 ILE 28 31.002 30.018 16.185
205 HG13 ILE 28 HG13 ILE 28 30.749 31.005 17.620
206 HG21 ILE 28 HG21 ILE 28 32.493 32.264 18.454
207 HG22 ILE 28 HG22 ILE 28 33.802 31.212 18.988
208 HG23 ILE 28 HG23 ILE 28 34.029 32.259 17.588
209 HD11 ILE 28 HD11 ILE 28 32.174 32.682 16.001
210 HD12 ILE 28 HD12 ILE 28 31.170 31.795 14.853
211 HD13 ILE 28 HD13 ILE 28 30.420 32.672 16.186
212 H GLY 29 H GLY 29 34.744 28.048 16.176
213 HA2 GLY 29 HA2 GLY 29 37.057 28.848 17.742
214 HA3 GLY 29 HA3 GLY 29 36.607 27.206 17.306
215 H ILE 30 H ILE 30 36.316 28.076 14.442
216 HA ILE 30 HA ILE 30 39.123 27.721 13.750
217 HB ILE 30 HB ILE 30 36.696 27.711 11.952
218 HG12 ILE 30 HG12 ILE 30 38.040 25.169 12.328
219 HG13 ILE 30 HG13 ILE 30 37.473 25.819 13.862
220 HG21 ILE 30 HG21 ILE 30 39.575 27.534 11.467
221 HG22 ILE 30 HG22 ILE 30 38.636 26.248 10.712
222 HG23 ILE 30 HG23 ILE 30 38.260 27.935 10.363
223 HD11 ILE 30 HD11 ILE 30 35.503 24.938 13.368
224 HD12 ILE 30 HD12 ILE 30 35.342 26.190 12.136
225 HD13 ILE 30 HD13 ILE 30 35.990 24.607 11.706
226 H SER 31 H SER 31 36.785 30.204 13.887
227 HA SER 31 HA SER 31 38.373 31.909 12.091
228 HB2 SER 31 HB2 SER 31 35.545 31.588 12.475
229 HB3 SER 31 HB3 SER 31 36.000 33.249 12.856
230 HG SER 31 HG SER 31 35.855 33.421 10.747
231 H ASP 32 H ASP 32 38.172 31.169 15.251
232 HA ASP 32 HA ASP 32 37.919 33.502 16.690
233 HB2 ASP 32 HB2 ASP 32 39.234 30.917 17.088
234 HB3 ASP 32 HB3 ASP 32 40.000 32.231 17.977
235 HA PRO 33 HA PRO 33 41.262 36.149 15.656
236 HB2 PRO 33 HB2 PRO 33 41.792 37.309 18.052
237 HB3 PRO 33 HB3 PRO 33 40.347 37.680 17.104
238 HG2 PRO 33 HG2 PRO 33 40.655 35.843 19.448
239 HG3 PRO 33 HG3 PRO 33 39.361 37.004 19.099
240 HD2 PRO 33 HD2 PRO 33 39.100 34.349 18.637
241 HD3 PRO 33 HD3 PRO 33 38.305 35.576 17.630
242 H GLN 34 H GLN 34 41.820 34.409 18.720
243 HA GLN 34 HA GLN 34 44.571 34.625 18.844
244 HB2 GLN 34 HB2 GLN 34 42.734 32.409 19.742
245 HB3 GLN 34 HB3 GLN 34 44.457 32.413 20.096
246 HG2 GLN 34 HG2 GLN 34 44.231 34.484 21.327
247 HG3 GLN 34 HG3 GLN 34 42.518 34.562 20.918
248 HE21 GLN 34 HE21 GLN 34 41.104 33.615 22.231
249 HE22 GLN 34 HE22 GLN 34 41.506 32.567 23.543
250 H HIS 35 H HIS 35 42.613 32.635 16.780
251 HA HIS 35 HA HIS 35 44.347 30.620 16.045
252 HB2 HIS 35 HB2 HIS 35 41.890 31.476 15.187
253 HB3 HIS 35 HB3 HIS 35 42.898 31.808 13.781
254 HD1 HIS 35 HD1 HIS 35 40.745 29.663 13.593
255 HD2 HIS 35 HD2 HIS 35 44.672 28.884 14.706
256 HE1 HIS 35 HE1 HIS 35 41.115 27.227 13.092
257 H ARG 36 H ARG 36 44.167 33.926 14.778
258 HA ARG 36 HA ARG 36 46.120 33.655 12.783
259 HB2 ARG 36 HB2 ARG 36 44.607 35.788 13.991
260 HB3 ARG 36 HB3 ARG 36 46.278 36.290 13.768
261 HG2 ARG 36 HG2 ARG 36 46.174 35.872 11.427
262 HG3 ARG 36 HG3 ARG 36 44.600 35.089 11.581
263 HD2 ARG 36 HD2 ARG 36 44.110 37.232 10.780
264 HD3 ARG 36 HD3 ARG 36 43.779 37.322 12.510
265 HE ARG 36 HE ARG 36 45.463 38.854 12.712
266 HH11 ARG 36 HH12 ARG 36 45.803 37.193 9.672
267 HH12 ARG 36 HH11 ARG 36 47.077 38.220 9.104
268 HH21 ARG 36 HH22 ARG 36 47.139 40.214 11.976
269 HH22 ARG 36 HH21 ARG 36 47.837 39.938 10.416
270 H ARG 37 H ARG 37 46.364 34.228 16.224
271 HA ARG 37 HA ARG 37 49.141 34.947 16.169
272 HB2 ARG 37 HB2 ARG 37 47.036 34.669 18.178
273 HB3 ARG 37 HB3 ARG 37 48.606 34.119 18.748
274 HG2 ARG 37 HG2 ARG 37 49.349 36.436 17.652
275 HG3 ARG 37 HG3 ARG 37 47.679 36.837 18.060
276 HD2 ARG 37 HD2 ARG 37 49.133 35.439 20.182
277 HD3 ARG 37 HD3 ARG 37 49.809 37.013 19.763
278 HE ARG 37 HE ARG 37 47.179 37.544 20.018
279 HH11 ARG 37 HH12 ARG 37 49.471 35.904 22.061
280 HH12 ARG 37 HH11 ARG 37 48.675 36.351 23.534
281 HH21 ARG 37 HH22 ARG 37 46.123 38.140 21.950
282 HH22 ARG 37 HH21 ARG 37 46.771 37.622 23.469
283 H LYS 38 H LYS 38 47.295 32.001 16.597
284 HA LYS 38 HA LYS 38 49.585 30.444 17.407
285 HB2 LYS 38 HB2 LYS 38 46.905 30.130 17.754
286 HB3 LYS 38 HB3 LYS 38 47.193 29.035 16.407
287 HG2 LYS 38 HG2 LYS 38 48.845 27.829 17.693
288 HG3 LYS 38 HG3 LYS 38 48.675 28.970 19.028
289 HD2 LYS 38 HD2 LYS 38 46.315 27.438 17.989
290 HD3 LYS 38 HD3 LYS 38 47.422 26.720 19.161
291 HE2 LYS 38 HE2 LYS 38 46.478 29.436 19.797
292 HE3 LYS 38 HE3 LYS 38 45.242 28.180 19.820
293 HZ1 LYS 38 HZ1 LYS 38 47.739 28.287 21.414
294 HZ2 LYS 38 HZ2 LYS 38 46.782 26.897 21.295
295 HZ3 LYS 38 HZ3 LYS 38 46.146 28.306 21.983
296 H LEU 39 H LEU 39 48.066 31.358 14.453
297 HA LEU 39 HA LEU 39 49.326 29.229 12.924
298 HB2 LEU 39 HB2 LEU 39 46.999 30.545 12.583
299 HB3 LEU 39 HB3 LEU 39 48.047 31.493 11.530
300 HG LEU 39 HG LEU 39 46.835 29.761 10.299
301 HD11 LEU 39 HD11 LEU 39 48.604 29.137 8.969
302 HD12 LEU 39 HD12 LEU 39 49.676 28.850 10.339
303 HD13 LEU 39 HD13 LEU 39 49.294 30.500 9.849
304 HD21 LEU 39 HD21 LEU 39 48.292 27.458 11.158
305 HD22 LEU 39 HD22 LEU 39 46.548 27.716 11.107
306 HD23 LEU 39 HD23 LEU 39 47.466 28.175 12.542
307 H LEU 40 H LEU 40 49.920 32.489 13.846
308 HA LEU 40 HA LEU 40 51.664 33.198 11.711
309 HB2 LEU 40 HB2 LEU 40 50.657 34.393 14.118
310 HB3 LEU 40 HB3 LEU 40 52.398 34.645 14.005
311 HG LEU 40 HG LEU 40 51.085 36.516 13.078
312 HD11 LEU 40 HD11 LEU 40 53.369 35.910 12.259
313 HD12 LEU 40 HD12 LEU 40 52.380 36.798 11.100
314 HD13 LEU 40 HD13 LEU 40 52.598 35.057 10.922
315 HD21 LEU 40 HD21 LEU 40 49.324 36.169 11.777
316 HD22 LEU 40 HD22 LEU 40 49.590 34.429 11.899
317 HD23 LEU 40 HD23 LEU 40 50.335 35.346 10.588
318 H GLN 41 H GLN 41 52.266 32.169 15.068
319 HA GLN 41 HA GLN 41 55.082 32.044 14.775
320 HB2 GLN 41 HB2 GLN 41 53.276 30.690 16.786
321 HB3 GLN 41 HB3 GLN 41 55.027 30.793 16.910
322 HG2 GLN 41 HG2 GLN 41 53.181 33.167 16.828
323 HG3 GLN 41 HG3 GLN 41 53.823 32.443 18.301
324 HE21 GLN 41 HE21 GLN 41 54.168 35.037 16.558
325 HE22 GLN 41 HE22 GLN 41 55.872 35.306 16.648
326 H ALA 42 H ALA 42 52.515 29.877 13.984
327 HA ALA 42 HA ALA 42 54.218 27.542 13.821
328 HB1 ALA 42 HB1 ALA 42 52.117 26.857 14.395
329 HB2 ALA 42 HB2 ALA 42 51.325 28.093 13.415
330 HB3 ALA 42 HB3 ALA 42 52.024 26.670 12.643
331 H ALA 43 H ALA 43 52.798 29.910 11.646
332 HA ALA 43 HA ALA 43 53.685 28.522 9.272
333 HB1 ALA 43 HB1 ALA 43 51.603 29.864 9.317
334 HB2 ALA 43 HB2 ALA 43 52.582 31.317 9.518
335 HB3 ALA 43 HB3 ALA 43 52.723 30.356 8.046
336 H ARG 44 H ARG 44 54.924 30.902 11.438
337 HA ARG 44 HA ARG 44 56.828 32.037 9.617
338 HB2 ARG 44 HB2 ARG 44 56.179 33.452 11.390
339 HB3 ARG 44 HB3 ARG 44 56.431 32.196 12.595
340 HG2 ARG 44 HG2 ARG 44 58.648 32.595 12.750
341 HG3 ARG 44 HG3 ARG 44 58.803 33.013 11.042
342 HD2 ARG 44 HD2 ARG 44 57.162 34.948 12.381
343 HD3 ARG 44 HD3 ARG 44 58.687 34.755 13.245
344 HE ARG 44 HE ARG 44 58.299 35.977 10.690
345 HH11 ARG 44 HH12 ARG 44 60.564 34.213 12.660
346 HH12 ARG 44 HH11 ARG 44 61.960 34.840 11.846
347 HH21 ARG 44 HH22 ARG 44 60.129 36.808 9.610
348 HH22 ARG 44 HH21 ARG 44 61.711 36.316 10.112
349 HN1 NH2 45 HN1 NH2 45 56.716 29.294 11.756
350 HN2 NH2 45 HN2 NH2 45 58.354 28.775 11.539
Start of MODEL 8
1 H1 ACE 1 H1 ACE 1 5.470 11.226 -2.903
2 H2 ACE 1 H2 ACE 1 6.413 11.081 -1.400
3 H3 ACE 1 H3 ACE 1 6.704 9.953 -2.746
4 H SER 2 H SER 2 6.284 8.862 -0.400
5 HA SER 2 HA SER 2 3.485 7.941 -0.483
6 HB2 SER 2 HB2 SER 2 5.619 6.117 0.520
7 HB3 SER 2 HB3 SER 2 4.126 5.738 -0.339
8 HG SER 2 HG SER 2 5.531 5.475 -1.918
9 H LYS 3 H LYS 3 3.272 6.450 1.703
10 HA LYS 3 HA LYS 3 3.407 8.403 3.828
11 HB2 LYS 3 HB2 LYS 3 1.565 6.544 3.226
12 HB3 LYS 3 HB3 LYS 3 2.518 5.624 4.383
13 HG2 LYS 3 HG2 LYS 3 2.254 7.671 5.914
14 HG3 LYS 3 HG3 LYS 3 0.957 8.141 4.812
15 HD2 LYS 3 HD2 LYS 3 0.142 5.686 5.195
16 HD3 LYS 3 HD3 LYS 3 1.131 5.794 6.653
17 HE2 LYS 3 HE2 LYS 3 -0.840 7.948 6.003
18 HE3 LYS 3 HE3 LYS 3 -1.383 6.446 6.750
19 HZ1 LYS 3 HZ1 LYS 3 -0.939 8.005 8.468
20 HZ2 LYS 3 HZ2 LYS 3 0.585 8.379 7.839
21 HZ3 LYS 3 HZ3 LYS 3 0.300 6.854 8.513
22 H LEU 4 H LEU 4 5.038 5.455 2.908
23 HA LEU 4 HA LEU 4 6.354 5.088 5.432
24 HB2 LEU 4 HB2 LEU 4 7.580 3.333 4.340
25 HB3 LEU 4 HB3 LEU 4 5.877 3.225 3.898
26 HG LEU 4 HG LEU 4 6.861 4.684 1.828
27 HD11 LEU 4 HD11 LEU 4 9.167 4.249 2.896
28 HD12 LEU 4 HD12 LEU 4 8.970 3.987 1.163
29 HD13 LEU 4 HD13 LEU 4 8.976 2.612 2.267
30 HD21 LEU 4 HD21 LEU 4 5.552 2.378 2.110
31 HD22 LEU 4 HD22 LEU 4 7.114 1.742 1.594
32 HD23 LEU 4 HD23 LEU 4 6.250 2.894 0.575
33 H LEU 5 H LEU 5 7.107 6.643 2.379
34 HA LEU 5 HA LEU 5 9.869 7.057 2.892
35 HB2 LEU 5 HB2 LEU 5 8.415 7.243 0.693
36 HB3 LEU 5 HB3 LEU 5 8.325 8.935 1.177
37 HG LEU 5 HG LEU 5 11.010 8.438 1.338
38 HD11 LEU 5 HD11 LEU 5 11.739 7.146 -0.462
39 HD12 LEU 5 HD12 LEU 5 10.141 7.113 -1.207
40 HD13 LEU 5 HD13 LEU 5 10.448 6.184 0.259
41 HD21 LEU 5 HD21 LEU 5 9.173 9.746 -0.557
42 HD22 LEU 5 HD22 LEU 5 10.796 9.416 -1.165
43 HD23 LEU 5 HD23 LEU 5 10.580 10.387 0.292
44 H LEU 6 H LEU 6 6.969 8.724 3.816
45 HA LEU 6 HA LEU 6 8.155 11.220 4.470
46 HB2 LEU 6 HB2 LEU 6 5.689 10.680 4.101
47 HB3 LEU 6 HB3 LEU 6 5.694 10.075 5.756
48 HG LEU 6 HG LEU 6 6.775 12.768 5.553
49 HD11 LEU 6 HD11 LEU 6 5.049 12.667 3.668
50 HD12 LEU 6 HD12 LEU 6 4.878 13.946 4.871
51 HD13 LEU 6 HD13 LEU 6 3.848 12.517 4.952
52 HD21 LEU 6 HD21 LEU 6 5.794 11.268 7.517
53 HD22 LEU 6 HD22 LEU 6 4.307 12.094 7.052
54 HD23 LEU 6 HD23 LEU 6 5.718 13.030 7.548
55 H ASN 7 H ASN 7 7.329 8.351 6.389
56 HA ASN 7 HA ASN 7 8.022 9.283 8.905
57 HB2 ASN 7 HB2 ASN 7 7.209 6.865 7.853
58 HB3 ASN 7 HB3 ASN 7 8.828 6.506 8.445
59 HD21 ASN 7 HD21 ASN 7 5.640 7.627 9.326
60 HD22 ASN 7 HD22 ASN 7 5.787 7.313 11.019
61 H GLY 8 H GLY 8 10.054 8.313 6.252
62 HA2 GLY 8 HA2 GLY 8 12.441 8.328 7.947
63 HA3 GLY 8 HA3 GLY 8 12.370 7.833 6.262
64 H PHE 9 H PHE 9 10.954 10.163 5.336
65 HA PHE 9 HA PHE 9 13.188 11.878 4.906
66 HB2 PHE 9 HB2 PHE 9 11.410 11.481 3.214
67 HB3 PHE 9 HB3 PHE 9 10.279 12.364 4.235
68 HD1 PHE 9 HD1 PHE 9 13.435 12.702 2.326
69 HD2 PHE 9 HD2 PHE 9 10.131 14.693 4.126
70 HE1 PHE 9 HE1 PHE 9 14.129 14.809 1.261
71 HE2 PHE 9 HE2 PHE 9 10.819 16.803 3.063
72 HZ PHE 9 HZ PHE 9 12.820 16.863 1.628
73 H ASP 10 H ASP 10 10.798 11.710 7.315
74 HA ASP 10 HA ASP 10 10.801 14.513 7.989
75 HB2 ASP 10 HB2 ASP 10 8.947 12.702 8.413
76 HB3 ASP 10 HB3 ASP 10 9.875 12.378 9.875
77 H ASP 11 H ASP 11 12.657 11.718 8.794
78 HA ASP 11 HA ASP 11 13.813 12.957 11.162
79 HB2 ASP 11 HB2 ASP 11 13.617 10.259 10.095
80 HB3 ASP 11 HB3 ASP 11 15.259 10.642 10.605
81 H VAL 12 H VAL 12 14.612 12.267 7.828
82 HA VAL 12 HA VAL 12 17.398 12.881 8.070
83 HB VAL 12 HB VAL 12 16.369 11.446 6.259
84 HG11 VAL 12 HG11 VAL 12 15.110 12.305 4.573
85 HG12 VAL 12 HG12 VAL 12 14.650 13.438 5.846
86 HG13 VAL 12 HG13 VAL 12 15.875 13.892 4.660
87 HG21 VAL 12 HG21 VAL 12 18.574 13.200 6.204
88 HG22 VAL 12 HG22 VAL 12 18.347 11.713 5.282
89 HG23 VAL 12 HG23 VAL 12 17.836 13.258 4.603
90 H HIS 13 H HIS 13 14.497 14.706 7.518
91 HA HIS 13 HA HIS 13 15.678 17.003 6.355
92 HB2 HIS 13 HB2 HIS 13 13.107 16.176 6.837
93 HB3 HIS 13 HB3 HIS 13 13.298 17.474 8.012
94 HD1 HIS 13 HD1 HIS 13 12.929 19.774 7.155
95 HD2 HIS 13 HD2 HIS 13 13.724 17.079 4.095
96 HE1 HIS 13 HE1 HIS 13 12.620 21.069 5.021
97 H PHE 14 H PHE 14 15.475 15.825 9.596
98 HA PHE 14 HA PHE 14 16.000 18.362 10.849
99 HB2 PHE 14 HB2 PHE 14 14.762 16.757 12.128
100 HB3 PHE 14 HB3 PHE 14 15.999 15.527 11.888
101 HD1 PHE 14 HD2 PHE 14 15.874 19.040 13.153
102 HD2 PHE 14 HD1 PHE 14 17.240 15.053 13.746
103 HE1 PHE 14 HE2 PHE 14 16.957 19.727 15.253
104 HE2 PHE 14 HE1 PHE 14 18.324 15.733 15.847
105 HZ PHE 14 HZ PHE 14 18.184 18.073 16.603
106 H LEU 15 H LEU 15 17.863 15.571 9.818
107 HA LEU 15 HA LEU 15 20.264 16.050 11.123
108 HB2 LEU 15 HB2 LEU 15 19.373 14.245 9.288
109 HB3 LEU 15 HB3 LEU 15 20.529 15.173 8.335
110 HG LEU 15 HG LEU 15 21.530 13.155 9.299
111 HD11 LEU 15 HD11 LEU 15 22.692 15.501 9.054
112 HD12 LEU 15 HD12 LEU 15 23.526 14.144 9.810
113 HD13 LEU 15 HD13 LEU 15 22.781 15.390 10.812
114 HD21 LEU 15 HD21 LEU 15 21.748 12.803 11.623
115 HD22 LEU 15 HD22 LEU 15 20.050 13.197 11.351
116 HD23 LEU 15 HD23 LEU 15 21.147 14.417 12.002
117 H GLY 16 H GLY 16 19.162 17.283 7.972
118 HA2 GLY 16 HA2 GLY 16 21.420 18.679 7.202
119 HA3 GLY 16 HA3 GLY 16 19.778 19.161 6.801
120 H SER 17 H SER 17 18.749 19.858 9.234
121 HA SER 17 HA SER 17 19.946 22.423 9.627
122 HB2 SER 17 HB2 SER 17 17.422 21.425 9.969
123 HB3 SER 17 HB3 SER 17 17.984 21.536 11.636
124 HG SER 17 HG SER 17 17.019 23.475 10.261
125 H ASN 18 H ASN 18 20.559 19.376 10.911
126 HA ASN 18 HA ASN 18 21.482 20.340 13.495
127 HB2 ASN 18 HB2 ASN 18 20.442 18.218 13.620
128 HB3 ASN 18 HB3 ASN 18 21.329 17.611 12.225
129 HD21 ASN 18 HD21 ASN 18 23.529 17.080 12.463
130 HD22 ASN 18 HD22 ASN 18 24.201 16.729 14.016
131 H VAL 19 H VAL 19 22.826 18.967 10.519
132 HA VAL 19 HA VAL 19 25.499 18.808 11.276
133 HB VAL 19 HB VAL 19 24.519 19.557 8.520
134 HG11 VAL 19 HG11 VAL 19 26.546 18.389 7.775
135 HG12 VAL 19 HG12 VAL 19 26.924 19.764 8.815
136 HG13 VAL 19 HG13 VAL 19 27.002 18.123 9.457
137 HG21 VAL 19 HG21 VAL 19 24.091 17.153 10.064
138 HG22 VAL 19 HG22 VAL 19 23.433 17.612 8.494
139 HG23 VAL 19 HG23 VAL 19 25.004 16.817 8.594
140 H MET 20 H MET 20 23.578 21.564 10.320
141 HA MET 20 HA MET 20 25.821 23.319 9.948
142 HB2 MET 20 HB2 MET 20 24.273 24.967 9.412
143 HB3 MET 20 HB3 MET 20 23.440 23.496 8.929
144 HG2 MET 20 HG2 MET 20 22.388 23.572 11.271
145 HG3 MET 20 HG3 MET 20 22.944 25.243 11.305
146 HE1 MET 20 HE1 MET 20 21.325 27.254 10.212
147 HE2 MET 20 HE2 MET 20 22.651 26.725 9.176
148 HE3 MET 20 HE3 MET 20 21.040 26.961 8.496
149 H GLU 21 H GLU 21 23.654 22.480 12.567
150 HA GLU 21 HA GLU 21 24.385 24.640 14.277
151 HB2 GLU 21 HB2 GLU 21 22.295 23.584 14.696
152 HB3 GLU 21 HB3 GLU 21 23.035 21.991 14.771
153 HG2 GLU 21 HG2 GLU 21 23.482 22.190 16.937
154 HG3 GLU 21 HG3 GLU 21 24.151 23.808 16.733
155 H GLU 22 H GLU 22 25.650 21.441 13.672
156 HA GLU 22 HA GLU 22 27.380 21.455 15.980
157 HB2 GLU 22 HB2 GLU 22 28.280 19.363 15.031
158 HB3 GLU 22 HB3 GLU 22 26.527 19.334 15.162
159 HG2 GLU 22 HG2 GLU 22 26.343 19.845 12.777
160 HG3 GLU 22 HG3 GLU 22 28.101 19.854 12.650
161 H GLN 23 H GLN 23 27.561 22.380 12.637
162 HA GLN 23 HA GLN 23 30.458 22.621 12.698
163 HB2 GLN 23 HB2 GLN 23 28.484 22.327 10.665
164 HB3 GLN 23 HB3 GLN 23 29.346 23.832 10.373
165 HG2 GLN 23 HG2 GLN 23 31.309 22.787 9.919
166 HG3 GLN 23 HG3 GLN 23 30.963 21.430 10.990
167 HE21 GLN 23 HE21 GLN 23 29.072 22.788 8.329
168 HE22 GLN 23 HE22 GLN 23 29.038 21.344 7.382
169 H ASP 24 H ASP 24 27.698 24.537 13.311
170 HA ASP 24 HA ASP 24 28.982 27.072 12.787
171 HB2 ASP 24 HB2 ASP 24 26.541 26.776 12.487
172 HB3 ASP 24 HB3 ASP 24 26.381 26.484 14.216
173 H LEU 25 H LEU 25 28.470 24.942 15.493
174 HA LEU 25 HA LEU 25 29.216 26.904 17.471
175 HB2 LEU 25 HB2 LEU 25 28.803 25.270 19.066
176 HB3 LEU 25 HB3 LEU 25 27.654 24.898 17.783
177 HG LEU 25 HG LEU 25 29.625 23.266 17.038
178 HD11 LEU 25 HD11 LEU 25 29.895 22.843 19.943
179 HD12 LEU 25 HD12 LEU 25 30.772 24.218 19.272
180 HD13 LEU 25 HD13 LEU 25 31.060 22.596 18.642
181 HD21 LEU 25 HD21 LEU 25 27.152 22.907 17.866
182 HD22 LEU 25 HD22 LEU 25 27.962 22.319 19.319
183 HD23 LEU 25 HD23 LEU 25 28.284 21.558 17.760
184 H ARG 26 H ARG 26 30.805 24.560 15.491
185 HA ARG 26 HA ARG 26 33.234 24.606 17.097
186 HB2 ARG 26 HB2 ARG 26 34.087 22.954 15.555
187 HB3 ARG 26 HB3 ARG 26 32.461 22.496 16.044
188 HG2 ARG 26 HG2 ARG 26 32.286 22.119 13.817
189 HG3 ARG 26 HG3 ARG 26 31.826 23.823 13.842
190 HD2 ARG 26 HD2 ARG 26 33.584 24.385 12.601
191 HD3 ARG 26 HD3 ARG 26 34.688 23.538 13.684
192 HE ARG 26 HE ARG 26 33.610 22.571 11.192
193 HH11 ARG 26 HH12 ARG 26 35.054 21.706 14.240
194 HH12 ARG 26 HH11 ARG 26 35.649 20.181 13.674
195 HH21 ARG 26 HH22 ARG 26 34.388 20.564 10.436
196 HH22 ARG 26 HH21 ARG 26 35.270 19.532 11.510
197 H ASP 27 H ASP 27 31.963 25.898 14.101
198 HA ASP 27 HA ASP 27 34.313 26.754 12.882
199 HB2 ASP 27 HB2 ASP 27 31.467 27.350 12.661
200 HB3 ASP 27 HB3 ASP 27 32.475 28.749 12.301
201 H ILE 28 H ILE 28 32.351 28.314 15.372
202 HA ILE 28 HA ILE 28 33.567 30.804 15.448
203 HB ILE 28 HB ILE 28 32.514 29.219 17.794
204 HG12 ILE 28 HG12 ILE 28 30.876 29.531 15.965
205 HG13 ILE 28 HG13 ILE 28 30.424 30.412 17.420
206 HG21 ILE 28 HG21 ILE 28 33.706 30.943 18.776
207 HG22 ILE 28 HG22 ILE 28 33.347 32.072 17.471
208 HG23 ILE 28 HG23 ILE 28 32.091 31.635 18.629
209 HD11 ILE 28 HD11 ILE 28 30.273 32.267 16.236
210 HD12 ILE 28 HD12 ILE 28 31.980 32.141 15.810
211 HD13 ILE 28 HD13 ILE 28 30.758 31.389 14.786
212 H GLY 29 H GLY 29 34.750 27.727 16.535
213 HA2 GLY 29 HA2 GLY 29 36.896 28.921 18.100
214 HA3 GLY 29 HA3 GLY 29 36.588 27.203 17.892
215 H ILE 30 H ILE 30 36.383 27.714 14.905
216 HA ILE 30 HA ILE 30 39.244 27.446 14.398
217 HB ILE 30 HB ILE 30 36.994 27.074 12.424
218 HG12 ILE 30 HG12 ILE 30 38.340 24.990 14.157
219 HG13 ILE 30 HG13 ILE 30 36.698 25.586 14.376
220 HG21 ILE 30 HG21 ILE 30 39.217 25.405 11.922
221 HG22 ILE 30 HG22 ILE 30 38.629 26.761 10.960
222 HG23 ILE 30 HG23 ILE 30 39.835 27.030 12.218
223 HD11 ILE 30 HD11 ILE 30 36.671 23.448 13.268
224 HD12 ILE 30 HD12 ILE 30 36.112 24.702 12.160
225 HD13 ILE 30 HD13 ILE 30 37.746 24.054 12.008
226 H SER 31 H SER 31 36.874 29.826 14.270
227 HA SER 31 HA SER 31 38.352 31.344 12.225
228 HB2 SER 31 HB2 SER 31 35.542 30.955 12.673
229 HB3 SER 31 HB3 SER 31 35.927 32.668 12.843
230 HG SER 31 HG SER 31 36.547 32.754 10.785
231 H ASP 32 H ASP 32 38.171 30.999 15.461
232 HA ASP 32 HA ASP 32 37.840 33.491 16.586
233 HB2 ASP 32 HB2 ASP 32 39.023 30.992 17.362
234 HB3 ASP 32 HB3 ASP 32 40.044 32.317 17.914
235 HA PRO 33 HA PRO 33 41.116 36.076 15.234
236 HB2 PRO 33 HB2 PRO 33 41.613 37.537 17.468
237 HB3 PRO 33 HB3 PRO 33 40.160 37.750 16.484
238 HG2 PRO 33 HG2 PRO 33 40.513 36.225 19.036
239 HG3 PRO 33 HG3 PRO 33 39.190 37.300 18.549
240 HD2 PRO 33 HD2 PRO 33 38.999 34.602 18.419
241 HD3 PRO 33 HD3 PRO 33 38.172 35.675 17.270
242 H GLN 34 H GLN 34 41.713 34.733 18.484
243 HA GLN 34 HA GLN 34 44.460 35.036 18.573
244 HB2 GLN 34 HB2 GLN 34 42.673 32.915 19.753
245 HB3 GLN 34 HB3 GLN 34 44.397 32.990 20.090
246 HG2 GLN 34 HG2 GLN 34 43.878 35.449 20.763
247 HG3 GLN 34 HG3 GLN 34 42.224 34.857 20.910
248 HE21 GLN 34 HE21 GLN 34 41.737 33.321 22.487
249 HE22 GLN 34 HE22 GLN 34 42.784 33.024 23.828
250 H HIS 35 H HIS 35 42.552 32.762 16.777
251 HA HIS 35 HA HIS 35 44.334 30.711 16.298
252 HB2 HIS 35 HB2 HIS 35 41.855 31.374 15.358
253 HB3 HIS 35 HB3 HIS 35 42.843 31.583 13.915
254 HD1 HIS 35 HD1 HIS 35 40.783 29.361 13.944
255 HD2 HIS 35 HD2 HIS 35 44.714 28.839 15.185
256 HE1 HIS 35 HE1 HIS 35 41.236 26.897 13.725
257 H ARG 36 H ARG 36 43.997 33.756 14.489
258 HA ARG 36 HA ARG 36 45.994 33.290 12.598
259 HB2 ARG 36 HB2 ARG 36 45.918 35.613 12.123
260 HB3 ARG 36 HB3 ARG 36 44.291 35.163 12.616
261 HG2 ARG 36 HG2 ARG 36 44.405 36.927 13.970
262 HG3 ARG 36 HG3 ARG 36 45.430 35.913 14.987
263 HD2 ARG 36 HD2 ARG 36 46.857 37.653 14.768
264 HD3 ARG 36 HD3 ARG 36 47.275 36.820 13.271
265 HE ARG 36 HE ARG 36 46.429 38.596 12.122
266 HH11 ARG 36 HH12 ARG 36 45.063 38.599 15.324
267 HH12 ARG 36 HH11 ARG 36 44.228 40.102 15.107
268 HH21 ARG 36 HH22 ARG 36 45.335 40.575 11.825
269 HH22 ARG 36 HH21 ARG 36 44.383 41.225 13.116
270 H ARG 37 H ARG 37 46.214 34.113 15.945
271 HA ARG 37 HA ARG 37 48.953 35.027 15.789
272 HB2 ARG 37 HB2 ARG 37 46.862 34.865 17.849
273 HB3 ARG 37 HB3 ARG 37 48.488 34.557 18.445
274 HG2 ARG 37 HG2 ARG 37 48.723 36.806 16.812
275 HG3 ARG 37 HG3 ARG 37 47.236 37.045 17.733
276 HD2 ARG 37 HD2 ARG 37 48.404 36.744 19.807
277 HD3 ARG 37 HD3 ARG 37 49.879 36.280 18.961
278 HE ARG 37 HE ARG 37 49.256 38.804 18.054
279 HH11 ARG 37 HH12 ARG 37 49.967 37.320 21.122
280 HH12 ARG 37 HH11 ARG 37 50.668 38.753 21.800
281 HH21 ARG 37 HH22 ARG 37 50.175 40.696 18.936
282 HH22 ARG 37 HH21 ARG 37 50.785 40.673 20.556
283 H LYS 38 H LYS 38 47.224 32.084 16.555
284 HA LYS 38 HA LYS 38 49.583 30.737 17.549
285 HB2 LYS 38 HB2 LYS 38 46.707 30.170 17.374
286 HB3 LYS 38 HB3 LYS 38 47.729 28.765 17.106
287 HG2 LYS 38 HG2 LYS 38 48.612 28.834 19.239
288 HG3 LYS 38 HG3 LYS 38 48.217 30.540 19.457
289 HD2 LYS 38 HD2 LYS 38 46.075 28.459 19.148
290 HD3 LYS 38 HD3 LYS 38 46.805 28.805 20.717
291 HE2 LYS 38 HE2 LYS 38 46.231 31.249 20.245
292 HE3 LYS 38 HE3 LYS 38 45.208 30.634 18.947
293 HZ1 LYS 38 HZ1 LYS 38 44.648 30.784 21.698
294 HZ2 LYS 38 HZ2 LYS 38 44.632 29.157 21.236
295 HZ3 LYS 38 HZ3 LYS 38 43.637 30.271 20.443
296 H LEU 39 H LEU 39 48.011 31.219 14.530
297 HA LEU 39 HA LEU 39 49.304 28.938 13.270
298 HB2 LEU 39 HB2 LEU 39 46.937 29.992 12.786
299 HB3 LEU 39 HB3 LEU 39 47.872 31.043 11.725
300 HG LEU 39 HG LEU 39 48.718 28.488 11.056
301 HD11 LEU 39 HD11 LEU 39 45.828 28.501 11.819
302 HD12 LEU 39 HD12 LEU 39 47.056 27.267 12.101
303 HD13 LEU 39 HD13 LEU 39 46.394 27.499 10.482
304 HD21 LEU 39 HD21 LEU 39 48.233 30.484 9.613
305 HD22 LEU 39 HD22 LEU 39 46.527 30.043 9.695
306 HD23 LEU 39 HD23 LEU 39 47.690 28.938 8.961
307 H LEU 40 H LEU 40 49.820 32.308 13.748
308 HA LEU 40 HA LEU 40 51.546 32.746 11.519
309 HB2 LEU 40 HB2 LEU 40 50.517 34.651 12.443
310 HB3 LEU 40 HB3 LEU 40 51.031 34.232 14.076
311 HG LEU 40 HG LEU 40 53.380 34.716 13.385
312 HD11 LEU 40 HD11 LEU 40 52.000 35.225 10.820
313 HD12 LEU 40 HD12 LEU 40 53.627 34.625 11.137
314 HD13 LEU 40 HD13 LEU 40 53.281 36.348 11.276
315 HD21 LEU 40 HD21 LEU 40 52.934 36.646 14.381
316 HD22 LEU 40 HD22 LEU 40 51.237 36.530 13.915
317 HD23 LEU 40 HD23 LEU 40 52.399 37.300 12.833
318 H GLN 41 H GLN 41 52.109 32.149 14.979
319 HA GLN 41 HA GLN 41 54.941 32.141 14.764
320 HB2 GLN 41 HB2 GLN 41 53.215 32.264 16.846
321 HB3 GLN 41 HB3 GLN 41 53.702 30.577 16.945
322 HG2 GLN 41 HG2 GLN 41 56.032 31.232 17.090
323 HG3 GLN 41 HG3 GLN 41 55.581 32.928 16.922
324 HE21 GLN 41 HE21 GLN 41 55.394 34.031 18.729
325 HE22 GLN 41 HE22 GLN 41 55.099 33.374 20.299
326 H ALA 42 H ALA 42 52.491 29.773 14.198
327 HA ALA 42 HA ALA 42 54.324 27.530 14.320
328 HB1 ALA 42 HB1 ALA 42 51.402 27.860 13.878
329 HB2 ALA 42 HB2 ALA 42 52.182 26.393 13.285
330 HB3 ALA 42 HB3 ALA 42 52.265 26.806 14.998
331 H ALA 43 H ALA 43 52.910 29.638 11.925
332 HA ALA 43 HA ALA 43 53.761 27.993 9.699
333 HB1 ALA 43 HB1 ALA 43 51.695 29.237 9.493
334 HB2 ALA 43 HB2 ALA 43 52.552 30.754 9.766
335 HB3 ALA 43 HB3 ALA 43 52.866 29.815 8.307
336 H ARG 44 H ARG 44 55.001 30.600 11.590
337 HA ARG 44 HA ARG 44 56.833 31.655 9.698
338 HB2 ARG 44 HB2 ARG 44 56.512 31.826 12.667
339 HB3 ARG 44 HB3 ARG 44 58.013 32.383 11.939
340 HG2 ARG 44 HG2 ARG 44 55.948 33.507 10.411
341 HG3 ARG 44 HG3 ARG 44 55.477 33.698 12.101
342 HD2 ARG 44 HD2 ARG 44 57.423 34.905 12.619
343 HD3 ARG 44 HD3 ARG 44 58.231 34.400 11.136
344 HE ARG 44 HE ARG 44 56.446 36.616 11.460
345 HH11 ARG 44 HH12 ARG 44 57.675 34.270 9.200
346 HH12 ARG 44 HH11 ARG 44 57.359 35.252 7.808
347 HH21 ARG 44 HH22 ARG 44 56.026 37.918 9.635
348 HH22 ARG 44 HH21 ARG 44 56.422 37.328 8.057
349 HN1 NH2 45 HN1 NH2 45 56.973 29.032 12.052
350 HN2 NH2 45 HN2 NH2 45 58.546 28.452 11.615
Start of MODEL 9
1 H1 ACE 1 H1 ACE 1 0.106 0.809 1.815
2 H2 ACE 1 H2 ACE 1 1.841 0.539 1.520
3 H3 ACE 1 H3 ACE 1 1.233 0.681 3.187
4 H SER 2 H SER 2 0.129 2.630 0.530
5 HA SER 2 HA SER 2 0.212 4.864 0.111
6 HB2 SER 2 HB2 SER 2 -0.350 6.134 1.890
7 HB3 SER 2 HB3 SER 2 -0.281 4.631 2.810
8 HG SER 2 HG SER 2 1.040 6.032 3.863
9 H LYS 3 H LYS 3 1.695 6.849 0.255
10 HA LYS 3 HA LYS 3 4.161 6.266 -0.837
11 HB2 LYS 3 HB2 LYS 3 2.721 8.564 -0.320
12 HB3 LYS 3 HB3 LYS 3 4.159 8.772 0.672
13 HG2 LYS 3 HG2 LYS 3 5.455 8.147 -1.465
14 HG3 LYS 3 HG3 LYS 3 3.942 8.511 -2.299
15 HD2 LYS 3 HD2 LYS 3 5.196 10.440 -0.366
16 HD3 LYS 3 HD3 LYS 3 5.649 10.401 -2.071
17 HE2 LYS 3 HE2 LYS 3 2.974 10.460 -2.309
18 HE3 LYS 3 HE3 LYS 3 3.155 11.324 -0.783
19 HZ1 LYS 3 HZ1 LYS 3 4.873 12.097 -3.025
20 HZ2 LYS 3 HZ2 LYS 3 4.236 13.046 -1.778
21 HZ3 LYS 3 HZ3 LYS 3 3.249 12.572 -3.068
22 H LEU 4 H LEU 4 3.397 7.069 2.536
23 HA LEU 4 HA LEU 4 4.615 6.907 4.457
24 HB2 LEU 4 HB2 LEU 4 4.250 4.517 3.782
25 HB3 LEU 4 HB3 LEU 4 5.869 4.537 3.086
26 HG LEU 4 HG LEU 4 6.311 5.389 5.660
27 HD11 LEU 4 HD11 LEU 4 5.097 4.048 7.164
28 HD12 LEU 4 HD12 LEU 4 4.380 3.096 5.865
29 HD13 LEU 4 HD13 LEU 4 3.890 4.773 6.102
30 HD21 LEU 4 HD21 LEU 4 6.768 3.016 4.041
31 HD22 LEU 4 HD22 LEU 4 6.693 2.662 5.767
32 HD23 LEU 4 HD23 LEU 4 7.847 3.851 5.159
33 H LEU 5 H LEU 5 5.727 8.640 2.496
34 HA LEU 5 HA LEU 5 8.618 8.240 2.832
35 HB2 LEU 5 HB2 LEU 5 6.934 9.618 0.819
36 HB3 LEU 5 HB3 LEU 5 8.510 10.324 1.174
37 HG LEU 5 HG LEU 5 8.088 7.479 0.267
38 HD11 LEU 5 HD11 LEU 5 7.671 9.685 -1.274
39 HD12 LEU 5 HD12 LEU 5 8.192 8.113 -1.877
40 HD13 LEU 5 HD13 LEU 5 9.384 9.371 -1.551
41 HD21 LEU 5 HD21 LEU 5 10.542 7.690 -0.242
42 HD22 LEU 5 HD22 LEU 5 10.124 7.661 1.471
43 HD23 LEU 5 HD23 LEU 5 10.529 9.189 0.687
44 H LEU 6 H LEU 6 5.962 10.375 3.574
45 HA LEU 6 HA LEU 6 7.455 12.612 4.428
46 HB2 LEU 6 HB2 LEU 6 5.014 12.583 3.921
47 HB3 LEU 6 HB3 LEU 6 4.759 11.716 5.434
48 HG LEU 6 HG LEU 6 6.199 14.287 5.638
49 HD11 LEU 6 HD11 LEU 6 3.328 14.082 4.778
50 HD12 LEU 6 HD12 LEU 6 4.622 15.045 4.065
51 HD13 LEU 6 HD13 LEU 6 3.964 15.482 5.642
52 HD21 LEU 6 HD21 LEU 6 5.745 13.172 7.658
53 HD22 LEU 6 HD22 LEU 6 4.086 12.810 7.182
54 HD23 LEU 6 HD23 LEU 6 4.551 14.468 7.565
55 H ASN 7 H ASN 7 6.521 9.632 6.005
56 HA ASN 7 HA ASN 7 7.216 10.485 8.646
57 HB2 ASN 7 HB2 ASN 7 6.491 7.876 7.371
58 HB3 ASN 7 HB3 ASN 7 7.228 7.871 8.971
59 HD21 ASN 7 HD21 ASN 7 4.580 9.294 7.115
60 HD22 ASN 7 HD22 ASN 7 3.476 9.402 8.439
61 H GLY 8 H GLY 8 8.916 9.072 5.961
62 HA2 GLY 8 HA2 GLY 8 11.196 8.251 7.534
63 HA3 GLY 8 HA3 GLY 8 11.069 8.221 5.782
64 H PHE 9 H PHE 9 10.312 11.013 5.550
65 HA PHE 9 HA PHE 9 12.923 12.139 5.437
66 HB2 PHE 9 HB2 PHE 9 10.628 12.629 4.099
67 HB3 PHE 9 HB3 PHE 9 10.588 13.952 5.259
68 HD1 PHE 9 HD2 PHE 9 12.860 15.276 5.481
69 HD2 PHE 9 HD1 PHE 9 11.710 12.955 2.104
70 HE1 PHE 9 HE2 PHE 9 14.420 16.557 4.075
71 HE2 PHE 9 HE1 PHE 9 13.270 14.232 0.692
72 HZ PHE 9 HZ PHE 9 14.626 16.036 1.676
73 H ASP 10 H ASP 10 10.358 12.198 7.764
74 HA ASP 10 HA ASP 10 10.848 14.525 9.167
75 HB2 ASP 10 HB2 ASP 10 9.021 12.803 9.575
76 HB3 ASP 10 HB3 ASP 10 10.213 11.891 10.497
77 H ASP 11 H ASP 11 12.263 11.322 9.849
78 HA ASP 11 HA ASP 11 13.996 12.091 11.872
79 HB2 ASP 11 HB2 ASP 11 13.500 9.756 10.406
80 HB3 ASP 11 HB3 ASP 11 15.216 10.085 10.177
81 H VAL 12 H VAL 12 14.248 12.545 8.438
82 HA VAL 12 HA VAL 12 17.056 13.181 8.462
83 HB VAL 12 HB VAL 12 15.001 13.709 6.311
84 HG11 VAL 12 HG11 VAL 12 16.709 15.014 5.589
85 HG12 VAL 12 HG12 VAL 12 17.925 14.123 6.507
86 HG13 VAL 12 HG13 VAL 12 17.310 13.469 4.988
87 HG21 VAL 12 HG21 VAL 12 16.212 11.269 7.223
88 HG22 VAL 12 HG22 VAL 12 14.997 11.512 5.968
89 HG23 VAL 12 HG23 VAL 12 16.711 11.616 5.567
90 H HIS 13 H HIS 13 14.018 14.990 8.340
91 HA HIS 13 HA HIS 13 15.025 17.545 7.919
92 HB2 HIS 13 HB2 HIS 13 12.533 16.385 8.708
93 HB3 HIS 13 HB3 HIS 13 12.867 17.762 9.753
94 HD1 HIS 13 HD1 HIS 13 11.841 19.817 8.870
95 HD2 HIS 13 HD2 HIS 13 13.089 17.294 5.814
96 HE1 HIS 13 HE1 HIS 13 11.246 21.003 6.734
97 H PHE 14 H PHE 14 15.123 15.551 10.748
98 HA PHE 14 HA PHE 14 15.749 17.713 12.553
99 HB2 PHE 14 HB2 PHE 14 14.551 15.750 13.383
100 HB3 PHE 14 HB3 PHE 14 15.900 14.715 12.927
101 HD1 PHE 14 HD1 PHE 14 15.772 17.993 14.696
102 HD2 PHE 14 HD2 PHE 14 16.844 13.876 14.849
103 HE1 PHE 14 HE1 PHE 14 16.781 18.342 16.913
104 HE2 PHE 14 HE2 PHE 14 17.854 14.218 17.066
105 HZ PHE 14 HZ PHE 14 17.823 16.453 18.101
106 H LEU 15 H LEU 15 17.508 15.074 10.975
107 HA LEU 15 HA LEU 15 20.000 15.437 12.144
108 HB2 LEU 15 HB2 LEU 15 18.911 13.980 9.974
109 HB3 LEU 15 HB3 LEU 15 20.353 14.807 9.387
110 HG LEU 15 HG LEU 15 20.783 12.498 10.165
111 HD11 LEU 15 HD11 LEU 15 22.375 14.591 10.374
112 HD12 LEU 15 HD12 LEU 15 22.836 13.014 11.014
113 HD13 LEU 15 HD13 LEU 15 22.203 14.253 12.097
114 HD21 LEU 15 HD21 LEU 15 20.121 11.722 12.148
115 HD22 LEU 15 HD22 LEU 15 19.099 13.157 12.244
116 HD23 LEU 15 HD23 LEU 15 20.695 13.158 12.996
117 H GLY 16 H GLY 16 18.417 17.245 9.602
118 HA2 GLY 16 HA2 GLY 16 20.641 18.601 8.555
119 HA3 GLY 16 HA3 GLY 16 18.985 19.190 8.525
120 H SER 17 H SER 17 18.391 19.601 11.128
121 HA SER 17 HA SER 17 19.688 22.047 11.675
122 HB2 SER 17 HB2 SER 17 17.630 20.373 13.018
123 HB3 SER 17 HB3 SER 17 18.470 21.559 14.017
124 HG SER 17 HG SER 17 16.714 21.939 11.890
125 H ASN 18 H ASN 18 20.559 18.844 12.361
126 HA ASN 18 HA ASN 18 22.179 19.533 14.682
127 HB2 ASN 18 HB2 ASN 18 20.878 17.208 13.880
128 HB3 ASN 18 HB3 ASN 18 22.582 16.858 13.607
129 HD21 ASN 18 HD21 ASN 18 20.160 16.701 15.805
130 HD22 ASN 18 HD22 ASN 18 21.089 16.640 17.261
131 H VAL 19 H VAL 19 22.626 18.308 11.378
132 HA VAL 19 HA VAL 19 25.398 18.101 11.373
133 HB VAL 19 HB VAL 19 23.632 18.912 9.059
134 HG11 VAL 19 HG11 VAL 19 26.419 17.763 9.135
135 HG12 VAL 19 HG12 VAL 19 25.439 17.928 7.677
136 HG13 VAL 19 HG13 VAL 19 25.947 19.364 8.567
137 HG21 VAL 19 HG21 VAL 19 23.712 16.510 10.537
138 HG22 VAL 19 HG22 VAL 19 22.844 16.835 9.037
139 HG23 VAL 19 HG23 VAL 19 24.484 16.187 8.985
140 H MET 20 H MET 20 23.350 20.912 11.128
141 HA MET 20 HA MET 20 25.440 22.665 10.217
142 HB2 MET 20 HB2 MET 20 23.839 24.362 10.225
143 HB3 MET 20 HB3 MET 20 22.894 22.922 9.869
144 HG2 MET 20 HG2 MET 20 22.364 22.800 12.325
145 HG3 MET 20 HG3 MET 20 23.095 24.396 12.477
146 HE1 MET 20 HE1 MET 20 20.793 26.841 11.087
147 HE2 MET 20 HE2 MET 20 20.952 26.362 12.776
148 HE3 MET 20 HE3 MET 20 22.373 26.395 11.731
149 H GLU 21 H GLU 21 24.035 21.739 13.291
150 HA GLU 21 HA GLU 21 25.265 23.806 14.821
151 HB2 GLU 21 HB2 GLU 21 23.327 22.770 15.740
152 HB3 GLU 21 HB3 GLU 21 24.019 21.164 15.566
153 HG2 GLU 21 HG2 GLU 21 24.976 21.269 17.560
154 HG3 GLU 21 HG3 GLU 21 25.692 22.841 17.208
155 H GLU 22 H GLU 22 26.193 20.576 13.834
156 HA GLU 22 HA GLU 22 28.476 20.448 15.577
157 HB2 GLU 22 HB2 GLU 22 29.022 18.390 14.365
158 HB3 GLU 22 HB3 GLU 22 27.338 18.403 14.871
159 HG2 GLU 22 HG2 GLU 22 26.675 19.067 12.606
160 HG3 GLU 22 HG3 GLU 22 28.364 19.008 12.106
161 H GLN 23 H GLN 23 27.816 21.568 12.357
162 HA GLN 23 HA GLN 23 30.644 21.767 11.692
163 HB2 GLN 23 HB2 GLN 23 28.339 21.397 10.180
164 HB3 GLN 23 HB3 GLN 23 28.811 23.056 9.837
165 HG2 GLN 23 HG2 GLN 23 31.162 22.052 9.451
166 HG3 GLN 23 HG3 GLN 23 30.298 20.523 9.305
167 HE21 GLN 23 HE21 GLN 23 28.330 20.678 7.817
168 HE22 GLN 23 HE22 GLN 23 28.583 21.498 6.318
169 H ASP 24 H ASP 24 28.168 23.669 13.064
170 HA ASP 24 HA ASP 24 29.326 26.217 12.328
171 HB2 ASP 24 HB2 ASP 24 26.890 25.992 12.604
172 HB3 ASP 24 HB3 ASP 24 27.122 25.565 14.297
173 H LEU 25 H LEU 25 29.448 23.978 14.990
174 HA LEU 25 HA LEU 25 30.755 25.871 16.756
175 HB2 LEU 25 HB2 LEU 25 30.866 23.989 18.324
176 HB3 LEU 25 HB3 LEU 25 29.232 24.275 17.728
177 HG LEU 25 HG LEU 25 29.823 22.376 16.034
178 HD11 LEU 25 HD11 LEU 25 31.783 21.379 16.298
179 HD12 LEU 25 HD12 LEU 25 31.318 20.911 17.933
180 HD13 LEU 25 HD13 LEU 25 32.160 22.436 17.659
181 HD21 LEU 25 HD21 LEU 25 28.111 22.341 17.851
182 HD22 LEU 25 HD22 LEU 25 29.346 21.694 18.931
183 HD23 LEU 25 HD23 LEU 25 28.843 20.773 17.512
184 H ARG 26 H ARG 26 31.621 23.465 14.446
185 HA ARG 26 HA ARG 26 34.370 23.320 15.428
186 HB2 ARG 26 HB2 ARG 26 34.682 21.488 13.960
187 HB3 ARG 26 HB3 ARG 26 33.088 21.269 14.669
188 HG2 ARG 26 HG2 ARG 26 32.281 21.058 12.620
189 HG3 ARG 26 HG3 ARG 26 32.668 22.757 12.344
190 HD2 ARG 26 HD2 ARG 26 33.971 21.987 10.692
191 HD3 ARG 26 HD3 ARG 26 35.094 21.568 11.985
192 HE ARG 26 HE ARG 26 33.320 19.441 11.678
193 HH11 ARG 26 HH12 ARG 26 35.814 21.058 9.866
194 HH12 ARG 26 HH11 ARG 26 36.265 19.643 8.973
195 HH21 ARG 26 HH22 ARG 26 33.904 17.571 10.510
196 HH22 ARG 26 HH21 ARG 26 35.177 17.660 9.340
197 H ASP 27 H ASP 27 33.151 25.743 14.187
198 HA ASP 27 HA ASP 27 35.165 26.106 12.075
199 HB2 ASP 27 HB2 ASP 27 32.678 25.864 11.312
200 HB3 ASP 27 HB3 ASP 27 32.519 27.510 11.920
201 H ILE 28 H ILE 28 32.959 27.760 14.318
202 HA ILE 28 HA ILE 28 34.091 30.297 14.215
203 HB ILE 28 HB ILE 28 32.853 28.962 16.625
204 HG12 ILE 28 HG12 ILE 28 31.515 30.776 14.617
205 HG13 ILE 28 HG13 ILE 28 31.482 29.021 14.485
206 HG21 ILE 28 HG21 ILE 28 33.984 30.906 17.358
207 HG22 ILE 28 HG22 ILE 28 33.427 31.840 15.971
208 HG23 ILE 28 HG23 ILE 28 32.283 31.348 17.219
209 HD11 ILE 28 HD11 ILE 28 30.478 30.534 16.879
210 HD12 ILE 28 HD12 ILE 28 29.462 30.034 15.526
211 HD13 ILE 28 HD13 ILE 28 30.268 28.820 16.520
212 H GLY 29 H GLY 29 35.230 27.404 15.756
213 HA2 GLY 29 HA2 GLY 29 37.150 28.825 17.413
214 HA3 GLY 29 HA3 GLY 29 36.938 27.083 17.320
215 H ILE 30 H ILE 30 37.044 27.360 14.291
216 HA ILE 30 HA ILE 30 39.959 27.221 14.124
217 HB ILE 30 HB ILE 30 37.958 26.481 11.991
218 HG12 ILE 30 HG12 ILE 30 39.290 24.676 14.022
219 HG13 ILE 30 HG13 ILE 30 37.603 25.178 14.075
220 HG21 ILE 30 HG21 ILE 30 40.108 26.797 11.047
221 HG22 ILE 30 HG22 ILE 30 40.892 25.939 12.372
222 HG23 ILE 30 HG23 ILE 30 39.891 25.056 11.220
223 HD11 ILE 30 HD11 ILE 30 38.960 23.329 12.160
224 HD12 ILE 30 HD12 ILE 30 37.515 23.066 13.138
225 HD13 ILE 30 HD13 ILE 30 37.448 24.129 11.733
226 H SER 31 H SER 31 37.455 29.379 13.468
227 HA SER 31 HA SER 31 39.065 30.799 11.453
228 HB2 SER 31 HB2 SER 31 36.254 30.234 11.624
229 HB3 SER 31 HB3 SER 31 36.500 31.980 11.644
230 HG SER 31 HG SER 31 36.534 30.433 9.554
231 H ASP 32 H ASP 32 38.530 30.768 14.665
232 HA ASP 32 HA ASP 32 37.891 33.321 15.473
233 HB2 ASP 32 HB2 ASP 32 39.365 31.061 16.610
234 HB3 ASP 32 HB3 ASP 32 39.893 32.621 17.236
235 HA PRO 33 HA PRO 33 41.096 36.033 14.202
236 HB2 PRO 33 HB2 PRO 33 41.224 37.747 16.304
237 HB3 PRO 33 HB3 PRO 33 39.880 37.734 15.155
238 HG2 PRO 33 HG2 PRO 33 40.054 36.507 17.880
239 HG3 PRO 33 HG3 PRO 33 38.717 37.409 17.142
240 HD2 PRO 33 HD2 PRO 33 38.746 34.705 17.286
241 HD3 PRO 33 HD3 PRO 33 37.978 35.582 15.947
242 H GLN 34 H GLN 34 41.419 35.083 17.625
243 HA GLN 34 HA GLN 34 44.107 35.629 17.969
244 HB2 GLN 34 HB2 GLN 34 42.368 33.483 19.177
245 HB3 GLN 34 HB3 GLN 34 44.028 33.757 19.689
246 HG2 GLN 34 HG2 GLN 34 42.690 36.253 19.708
247 HG3 GLN 34 HG3 GLN 34 41.667 35.077 20.531
248 HE21 GLN 34 HE21 GLN 34 43.453 33.445 21.729
249 HE22 GLN 34 HE22 GLN 34 44.385 34.318 22.892
250 H HIS 35 H HIS 35 42.592 33.026 16.246
251 HA HIS 35 HA HIS 35 44.568 31.101 16.183
252 HB2 HIS 35 HB2 HIS 35 42.168 31.463 14.910
253 HB3 HIS 35 HB3 HIS 35 43.307 31.580 13.571
254 HD1 HIS 35 HD1 HIS 35 41.385 29.221 13.686
255 HD2 HIS 35 HD2 HIS 35 45.200 29.156 15.330
256 HE1 HIS 35 HE1 HIS 35 42.020 26.791 13.814
257 H ARG 36 H ARG 36 44.347 34.105 14.359
258 HA ARG 36 HA ARG 36 46.481 33.605 12.582
259 HB2 ARG 36 HB2 ARG 36 45.242 36.164 13.589
260 HB3 ARG 36 HB3 ARG 36 46.527 36.137 12.389
261 HG2 ARG 36 HG2 ARG 36 45.115 34.831 10.892
262 HG3 ARG 36 HG3 ARG 36 43.828 34.834 12.099
263 HD2 ARG 36 HD2 ARG 36 44.794 37.508 11.548
264 HD3 ARG 36 HD3 ARG 36 44.231 36.703 10.083
265 HE ARG 36 HE ARG 36 42.398 36.432 12.261
266 HH11 ARG 36 HH12 ARG 36 43.464 38.552 9.714
267 HH12 ARG 36 HH11 ARG 36 41.954 39.393 9.604
268 HH21 ARG 36 HH22 ARG 36 40.404 37.531 12.125
269 HH22 ARG 36 HH21 ARG 36 40.214 38.812 10.976
270 H ARG 37 H ARG 37 46.337 35.015 15.808
271 HA ARG 37 HA ARG 37 49.067 35.841 15.861
272 HB2 ARG 37 HB2 ARG 37 47.064 35.388 18.078
273 HB3 ARG 37 HB3 ARG 37 48.669 36.062 18.326
274 HG2 ARG 37 HG2 ARG 37 47.687 37.664 16.348
275 HG3 ARG 37 HG3 ARG 37 46.241 37.315 17.298
276 HD2 ARG 37 HD2 ARG 37 47.460 38.013 19.334
277 HD3 ARG 37 HD3 ARG 37 48.841 38.445 18.327
278 HE ARG 37 HE ARG 37 46.467 39.976 18.729
279 HH11 ARG 37 HH12 ARG 37 48.969 39.232 16.425
280 HH12 ARG 37 HH11 ARG 37 48.819 40.737 15.581
281 HH21 ARG 37 HH22 ARG 37 46.261 41.961 17.626
282 HH22 ARG 37 HH21 ARG 37 47.280 42.289 16.265
283 H LYS 38 H LYS 38 47.352 32.912 16.691
284 HA LYS 38 HA LYS 38 49.628 31.731 18.029
285 HB2 LYS 38 HB2 LYS 38 46.822 30.922 17.454
286 HB3 LYS 38 HB3 LYS 38 47.998 29.641 17.714
287 HG2 LYS 38 HG2 LYS 38 47.113 29.997 19.824
288 HG3 LYS 38 HG3 LYS 38 48.614 30.926 19.854
289 HD2 LYS 38 HD2 LYS 38 47.258 32.943 19.213
290 HD3 LYS 38 HD3 LYS 38 45.810 31.966 19.473
291 HE2 LYS 38 HE2 LYS 38 45.901 32.452 21.637
292 HE3 LYS 38 HE3 LYS 38 47.456 31.629 21.741
293 HZ1 LYS 38 HZ1 LYS 38 48.473 33.560 22.022
294 HZ2 LYS 38 HZ2 LYS 38 46.965 34.322 22.101
295 HZ3 LYS 38 HZ3 LYS 38 47.779 34.209 20.622
296 H LEU 39 H LEU 39 48.365 31.915 14.834
297 HA LEU 39 HA LEU 39 49.841 29.592 13.900
298 HB2 LEU 39 HB2 LEU 39 47.541 30.357 13.066
299 HB3 LEU 39 HB3 LEU 39 48.422 31.596 12.176
300 HG LEU 39 HG LEU 39 49.745 29.578 11.200
301 HD11 LEU 39 HD11 LEU 39 49.114 27.595 11.985
302 HD12 LEU 39 HD12 LEU 39 47.627 27.804 11.061
303 HD13 LEU 39 HD13 LEU 39 47.682 28.273 12.760
304 HD21 LEU 39 HD21 LEU 39 48.371 31.010 9.847
305 HD22 LEU 39 HD22 LEU 39 46.901 30.240 10.445
306 HD23 LEU 39 HD23 LEU 39 48.022 29.333 9.428
307 H LEU 40 H LEU 40 50.231 33.004 14.161
308 HA LEU 40 HA LEU 40 52.183 33.320 12.105
309 HB2 LEU 40 HB2 LEU 40 50.826 35.174 13.000
310 HB3 LEU 40 HB3 LEU 40 51.671 35.025 14.539
311 HG LEU 40 HG LEU 40 53.783 35.626 13.374
312 HD11 LEU 40 HD11 LEU 40 51.910 35.822 11.049
313 HD12 LEU 40 HD12 LEU 40 53.501 35.067 11.144
314 HD13 LEU 40 HD13 LEU 40 53.359 36.825 11.126
315 HD21 LEU 40 HD21 LEU 40 53.333 37.681 14.075
316 HD22 LEU 40 HD22 LEU 40 51.616 37.278 14.115
317 HD23 LEU 40 HD23 LEU 40 52.326 37.971 12.656
318 H GLN 41 H GLN 41 52.377 33.001 15.642
319 HA GLN 41 HA GLN 41 55.213 33.061 15.738
320 HB2 GLN 41 HB2 GLN 41 53.130 32.101 17.698
321 HB3 GLN 41 HB3 GLN 41 54.853 32.082 18.051
322 HG2 GLN 41 HG2 GLN 41 53.940 34.660 17.074
323 HG3 GLN 41 HG3 GLN 41 53.109 34.149 18.542
324 HE21 GLN 41 HE21 GLN 41 55.701 35.793 17.400
325 HE22 GLN 41 HE22 GLN 41 56.742 35.696 18.775
326 H ALA 42 H ALA 42 52.894 30.582 15.090
327 HA ALA 42 HA ALA 42 54.767 28.417 15.561
328 HB1 ALA 42 HB1 ALA 42 52.948 26.952 14.883
329 HB2 ALA 42 HB2 ALA 42 52.394 28.114 16.089
330 HB3 ALA 42 HB3 ALA 42 51.990 28.347 14.388
331 H ALA 43 H ALA 43 53.542 30.305 12.900
332 HA ALA 43 HA ALA 43 54.607 28.528 10.880
333 HB1 ALA 43 HB1 ALA 43 53.218 31.187 10.790
334 HB2 ALA 43 HB2 ALA 43 53.945 30.468 9.352
335 HB3 ALA 43 HB3 ALA 43 52.653 29.622 10.204
336 H ARG 44 H ARG 44 55.694 31.216 12.730
337 HA ARG 44 HA ARG 44 57.664 32.214 10.959
338 HB2 ARG 44 HB2 ARG 44 56.652 33.052 13.332
339 HB3 ARG 44 HB3 ARG 44 58.201 32.406 13.857
340 HG2 ARG 44 HG2 ARG 44 59.348 33.855 12.257
341 HG3 ARG 44 HG3 ARG 44 57.792 34.506 11.738
342 HD2 ARG 44 HD2 ARG 44 58.122 36.076 13.296
343 HD3 ARG 44 HD3 ARG 44 57.692 34.822 14.458
344 HE ARG 44 HE ARG 44 60.469 34.774 13.803
345 HH11 ARG 44 HH12 ARG 44 58.070 36.386 15.743
346 HH12 ARG 44 HH11 ARG 44 59.200 36.886 16.958
347 HH21 ARG 44 HH22 ARG 44 61.966 35.426 15.395
348 HH22 ARG 44 HH21 ARG 44 61.416 36.340 16.759
349 HN1 NH2 45 HN1 NH2 45 57.654 29.667 13.408
350 HN2 NH2 45 HN2 NH2 45 59.242 29.062 13.073
Start of MODEL 10
1 H1 ACE 1 H1 ACE 1 4.661 8.301 -4.151
2 H2 ACE 1 H2 ACE 1 3.225 9.341 -4.303
3 H3 ACE 1 H3 ACE 1 4.505 9.756 -3.137
4 H SER 2 H SER 2 4.600 8.765 -1.212
5 HA SER 2 HA SER 2 2.176 7.425 -0.355
6 HB2 SER 2 HB2 SER 2 4.204 5.795 -1.146
7 HB3 SER 2 HB3 SER 2 4.601 6.006 0.559
8 HG SER 2 HG SER 2 2.962 4.797 1.065
9 H LYS 3 H LYS 3 2.481 6.837 2.107
10 HA LYS 3 HA LYS 3 3.360 9.302 3.380
11 HB2 LYS 3 HB2 LYS 3 1.330 7.327 3.880
12 HB3 LYS 3 HB3 LYS 3 2.335 7.514 5.311
13 HG2 LYS 3 HG2 LYS 3 1.745 10.101 4.305
14 HG3 LYS 3 HG3 LYS 3 0.241 9.180 4.391
15 HD2 LYS 3 HD2 LYS 3 2.172 9.201 6.685
16 HD3 LYS 3 HD3 LYS 3 1.003 10.506 6.470
17 HE2 LYS 3 HE2 LYS 3 -0.816 8.854 6.482
18 HE3 LYS 3 HE3 LYS 3 0.364 7.568 6.732
19 HZ1 LYS 3 HZ1 LYS 3 0.619 9.675 8.650
20 HZ2 LYS 3 HZ2 LYS 3 0.459 8.010 8.895
21 HZ3 LYS 3 HZ3 LYS 3 -0.918 8.970 8.685
22 H LEU 4 H LEU 4 4.983 6.731 2.472
23 HA LEU 4 HA LEU 4 6.349 6.143 4.975
24 HB2 LEU 4 HB2 LEU 4 6.409 5.009 2.213
25 HB3 LEU 4 HB3 LEU 4 7.754 4.703 3.310
26 HG LEU 4 HG LEU 4 6.075 3.747 4.927
27 HD11 LEU 4 HD11 LEU 4 3.929 4.125 4.491
28 HD12 LEU 4 HD12 LEU 4 4.068 2.939 3.194
29 HD13 LEU 4 HD13 LEU 4 4.282 4.654 2.845
30 HD21 LEU 4 HD21 LEU 4 7.381 2.170 3.826
31 HD22 LEU 4 HD22 LEU 4 6.670 2.532 2.253
32 HD23 LEU 4 HD23 LEU 4 5.735 1.653 3.463
33 H LEU 5 H LEU 5 6.932 7.746 1.895
34 HA LEU 5 HA LEU 5 9.680 8.186 2.143
35 HB2 LEU 5 HB2 LEU 5 7.460 9.479 0.654
36 HB3 LEU 5 HB3 LEU 5 8.988 10.348 0.770
37 HG LEU 5 HG LEU 5 8.739 9.045 -1.320
38 HD11 LEU 5 HD11 LEU 5 10.944 7.554 -0.396
39 HD12 LEU 5 HD12 LEU 5 10.944 9.078 0.491
40 HD13 LEU 5 HD13 LEU 5 10.953 9.084 -1.273
41 HD21 LEU 5 HD21 LEU 5 7.455 7.177 -0.253
42 HD22 LEU 5 HD22 LEU 5 8.975 6.611 0.439
43 HD23 LEU 5 HD23 LEU 5 8.769 6.663 -1.312
44 H LEU 6 H LEU 6 6.929 10.010 3.384
45 HA LEU 6 HA LEU 6 8.266 12.292 4.265
46 HB2 LEU 6 HB2 LEU 6 5.701 11.027 4.698
47 HB3 LEU 6 HB3 LEU 6 6.296 11.797 6.168
48 HG LEU 6 HG LEU 6 6.311 13.365 3.634
49 HD11 LEU 6 HD11 LEU 6 3.987 14.087 4.106
50 HD12 LEU 6 HD12 LEU 6 3.857 12.778 5.281
51 HD13 LEU 6 HD13 LEU 6 4.109 12.409 3.575
52 HD21 LEU 6 HD21 LEU 6 7.130 14.726 5.234
53 HD22 LEU 6 HD22 LEU 6 6.363 13.829 6.544
54 HD23 LEU 6 HD23 LEU 6 5.423 14.982 5.595
55 H ASN 7 H ASN 7 7.550 9.289 6.037
56 HA ASN 7 HA ASN 7 8.844 10.043 8.424
57 HB2 ASN 7 HB2 ASN 7 7.543 7.694 7.365
58 HB3 ASN 7 HB3 ASN 7 9.014 7.242 8.221
59 HD21 ASN 7 HD21 ASN 7 5.876 7.420 8.647
60 HD22 ASN 7 HD22 ASN 7 5.781 7.881 10.309
61 H GLY 8 H GLY 8 10.020 8.760 5.418
62 HA2 GLY 8 HA2 GLY 8 12.567 7.917 6.473
63 HA3 GLY 8 HA3 GLY 8 12.115 8.002 4.777
64 H PHE 9 H PHE 9 11.264 10.823 5.043
65 HA PHE 9 HA PHE 9 13.894 11.992 4.669
66 HB2 PHE 9 HB2 PHE 9 11.539 12.354 3.360
67 HB3 PHE 9 HB3 PHE 9 11.517 13.729 4.460
68 HD1 PHE 9 HD2 PHE 9 13.878 14.997 4.577
69 HD2 PHE 9 HD1 PHE 9 12.458 12.691 1.294
70 HE1 PHE 9 HE2 PHE 9 15.379 16.229 3.067
71 HE2 PHE 9 HE1 PHE 9 13.958 13.918 -0.221
72 HZ PHE 9 HZ PHE 9 15.421 15.691 0.664
73 H ASP 10 H ASP 10 11.336 11.991 7.003
74 HA ASP 10 HA ASP 10 11.727 14.368 8.351
75 HB2 ASP 10 HB2 ASP 10 10.121 12.263 8.757
76 HB3 ASP 10 HB3 ASP 10 11.313 11.939 10.013
77 H ASP 11 H ASP 11 13.366 11.263 8.941
78 HA ASP 11 HA ASP 11 15.040 12.121 11.002
79 HB2 ASP 11 HB2 ASP 11 14.623 9.737 10.175
80 HB3 ASP 11 HB3 ASP 11 15.840 10.067 8.945
81 H VAL 12 H VAL 12 15.216 12.640 7.582
82 HA VAL 12 HA VAL 12 17.994 13.433 7.600
83 HB VAL 12 HB VAL 12 15.949 13.852 5.418
84 HG11 VAL 12 HG11 VAL 12 18.070 15.192 5.340
85 HG12 VAL 12 HG12 VAL 12 18.947 13.667 5.205
86 HG13 VAL 12 HG13 VAL 12 17.800 14.140 3.951
87 HG21 VAL 12 HG21 VAL 12 17.809 11.531 5.915
88 HG22 VAL 12 HG22 VAL 12 16.045 11.500 5.927
89 HG23 VAL 12 HG23 VAL 12 16.911 11.793 4.419
90 H HIS 13 H HIS 13 14.840 15.033 7.385
91 HA HIS 13 HA HIS 13 15.696 17.643 6.966
92 HB2 HIS 13 HB2 HIS 13 13.255 16.330 7.705
93 HB3 HIS 13 HB3 HIS 13 13.465 17.763 8.706
94 HD1 HIS 13 HD1 HIS 13 12.999 19.988 7.637
95 HD2 HIS 13 HD2 HIS 13 13.186 16.892 4.873
96 HE1 HIS 13 HE1 HIS 13 12.233 20.984 5.459
97 H PHE 14 H PHE 14 15.827 15.684 9.816
98 HA PHE 14 HA PHE 14 16.317 17.939 11.576
99 HB2 PHE 14 HB2 PHE 14 15.049 15.842 12.257
100 HB3 PHE 14 HB3 PHE 14 16.601 15.011 12.251
101 HD1 PHE 14 HD2 PHE 14 15.613 18.396 13.456
102 HD2 PHE 14 HD1 PHE 14 17.170 14.557 14.432
103 HE1 PHE 14 HE2 PHE 14 16.021 19.152 15.761
104 HE2 PHE 14 HE1 PHE 14 17.580 15.307 16.740
105 HZ PHE 14 HZ PHE 14 17.007 17.607 17.406
106 H LEU 15 H LEU 15 18.109 15.247 10.150
107 HA LEU 15 HA LEU 15 20.546 15.636 11.464
108 HB2 LEU 15 HB2 LEU 15 19.584 14.195 9.125
109 HB3 LEU 15 HB3 LEU 15 21.245 14.755 8.945
110 HG LEU 15 HG LEU 15 21.199 12.479 9.772
111 HD11 LEU 15 HD11 LEU 15 22.682 12.727 11.605
112 HD12 LEU 15 HD12 LEU 15 21.994 14.292 12.038
113 HD13 LEU 15 HD13 LEU 15 22.933 14.122 10.555
114 HD21 LEU 15 HD21 LEU 15 20.344 12.294 12.246
115 HD22 LEU 15 HD22 LEU 15 19.231 12.112 10.890
116 HD23 LEU 15 HD23 LEU 15 19.314 13.642 11.764
117 H GLY 16 H GLY 16 19.163 17.203 8.639
118 HA2 GLY 16 HA2 GLY 16 21.487 18.501 7.718
119 HA3 GLY 16 HA3 GLY 16 19.837 19.025 7.417
120 H SER 17 H SER 17 19.114 19.415 10.161
121 HA SER 17 HA SER 17 20.261 22.035 10.524
122 HB2 SER 17 HB2 SER 17 18.594 22.335 12.244
123 HB3 SER 17 HB3 SER 17 17.827 21.541 10.869
124 HG SER 17 HG SER 17 17.944 20.704 13.377
125 H ASN 18 H ASN 18 20.435 18.899 12.087
126 HA ASN 18 HA ASN 18 21.834 19.804 14.402
127 HB2 ASN 18 HB2 ASN 18 20.691 17.374 13.501
128 HB3 ASN 18 HB3 ASN 18 22.389 17.046 13.836
129 HD21 ASN 18 HD21 ASN 18 20.084 16.078 15.251
130 HD22 ASN 18 HD22 ASN 18 20.227 16.635 16.881
131 H VAL 19 H VAL 19 22.798 18.446 11.290
132 HA VAL 19 HA VAL 19 25.544 18.145 11.875
133 HB VAL 19 HB VAL 19 24.154 17.240 9.864
134 HG11 VAL 19 HG11 VAL 19 24.018 18.500 7.940
135 HG12 VAL 19 HG12 VAL 19 23.742 19.726 9.178
136 HG13 VAL 19 HG13 VAL 19 25.329 19.576 8.423
137 HG21 VAL 19 HG21 VAL 19 26.128 16.393 9.293
138 HG22 VAL 19 HG22 VAL 19 26.672 17.954 8.678
139 HG23 VAL 19 HG23 VAL 19 26.892 17.552 10.381
140 H MET 20 H MET 20 23.611 20.891 11.040
141 HA MET 20 HA MET 20 25.873 22.527 10.269
142 HB2 MET 20 HB2 MET 20 23.699 22.868 9.191
143 HB3 MET 20 HB3 MET 20 22.978 23.259 10.747
144 HG2 MET 20 HG2 MET 20 24.862 25.092 10.783
145 HG3 MET 20 HG3 MET 20 24.794 24.868 9.036
146 HE1 MET 20 HE1 MET 20 21.913 25.516 12.070
147 HE2 MET 20 HE2 MET 20 23.530 26.219 12.110
148 HE3 MET 20 HE3 MET 20 22.140 27.226 11.701
149 H GLU 21 H GLU 21 23.817 22.037 13.074
150 HA GLU 21 HA GLU 21 24.725 24.292 14.541
151 HB2 GLU 21 HB2 GLU 21 22.650 23.326 15.189
152 HB3 GLU 21 HB3 GLU 21 23.366 21.729 15.356
153 HG2 GLU 21 HG2 GLU 21 23.921 22.103 17.468
154 HG3 GLU 21 HG3 GLU 21 24.667 23.650 17.073
155 H GLU 22 H GLU 22 25.863 21.001 14.181
156 HA GLU 22 HA GLU 22 27.738 21.160 16.353
157 HB2 GLU 22 HB2 GLU 22 28.485 18.985 15.644
158 HB3 GLU 22 HB3 GLU 22 26.729 19.021 15.580
159 HG2 GLU 22 HG2 GLU 22 26.824 19.371 13.163
160 HG3 GLU 22 HG3 GLU 22 28.585 19.324 13.230
161 H GLN 23 H GLN 23 27.811 21.652 12.881
162 HA GLN 23 HA GLN 23 30.685 21.920 12.797
163 HB2 GLN 23 HB2 GLN 23 28.607 21.514 10.903
164 HB3 GLN 23 HB3 GLN 23 29.436 23.001 10.464
165 HG2 GLN 23 HG2 GLN 23 31.519 21.887 10.275
166 HG3 GLN 23 HG3 GLN 23 30.873 20.421 11.009
167 HE21 GLN 23 HE21 GLN 23 29.524 22.505 8.493
168 HE22 GLN 23 HE22 GLN 23 29.439 21.281 7.277
169 H ASP 24 H ASP 24 27.962 23.961 13.307
170 HA ASP 24 HA ASP 24 29.292 26.411 12.587
171 HB2 ASP 24 HB2 ASP 24 26.833 26.150 12.417
172 HB3 ASP 24 HB3 ASP 24 26.747 26.000 14.170
173 H LEU 25 H LEU 25 28.955 24.453 15.423
174 HA LEU 25 HA LEU 25 29.797 26.545 17.236
175 HB2 LEU 25 HB2 LEU 25 28.582 23.971 17.451
176 HB3 LEU 25 HB3 LEU 25 30.037 23.999 18.444
177 HG LEU 25 HG LEU 25 29.152 26.025 19.583
178 HD11 LEU 25 HD11 LEU 25 27.341 26.020 17.438
179 HD12 LEU 25 HD12 LEU 25 27.386 27.122 18.815
180 HD13 LEU 25 HD13 LEU 25 26.398 25.663 18.886
181 HD21 LEU 25 HD21 LEU 25 27.642 23.433 19.638
182 HD22 LEU 25 HD22 LEU 25 27.240 24.758 20.731
183 HD23 LEU 25 HD23 LEU 25 28.850 24.038 20.772
184 H ARG 26 H ARG 26 31.208 23.849 15.514
185 HA ARG 26 HA ARG 26 33.715 23.994 16.943
186 HB2 ARG 26 HB2 ARG 26 34.455 22.232 15.471
187 HB3 ARG 26 HB3 ARG 26 32.833 21.857 16.036
188 HG2 ARG 26 HG2 ARG 26 32.293 21.515 13.913
189 HG3 ARG 26 HG3 ARG 26 32.418 23.260 13.686
190 HD2 ARG 26 HD2 ARG 26 35.040 22.370 13.566
191 HD3 ARG 26 HD3 ARG 26 34.127 21.129 12.709
192 HE ARG 26 HE ARG 26 33.408 23.770 11.891
193 HH11 ARG 26 HH12 ARG 26 35.753 21.231 11.476
194 HH12 ARG 26 HH11 ARG 26 36.209 21.734 9.882
195 HH21 ARG 26 HH22 ARG 26 34.000 24.443 9.793
196 HH22 ARG 26 HH21 ARG 26 35.212 23.562 8.926
197 H ASP 27 H ASP 27 32.320 25.307 14.047
198 HA ASP 27 HA ASP 27 34.691 25.991 12.684
199 HB2 ASP 27 HB2 ASP 27 32.661 26.040 11.448
200 HB3 ASP 27 HB3 ASP 27 31.897 27.126 12.606
201 H ILE 28 H ILE 28 32.718 27.750 15.039
202 HA ILE 28 HA ILE 28 33.991 30.215 14.948
203 HB ILE 28 HB ILE 28 32.848 28.857 17.392
204 HG12 ILE 28 HG12 ILE 28 31.479 30.842 15.578
205 HG13 ILE 28 HG13 ILE 28 31.347 29.103 15.342
206 HG21 ILE 28 HG21 ILE 28 32.416 31.524 17.704
207 HG22 ILE 28 HG22 ILE 28 33.756 30.631 18.422
208 HG23 ILE 28 HG23 ILE 28 33.992 31.512 16.913
209 HD11 ILE 28 HD11 ILE 28 30.448 30.677 17.740
210 HD12 ILE 28 HD12 ILE 28 29.431 29.877 16.541
211 HD13 ILE 28 HD13 ILE 28 30.429 28.917 17.633
212 H GLY 29 H GLY 29 35.066 27.206 16.301
213 HA2 GLY 29 HA2 GLY 29 37.153 28.425 17.900
214 HA3 GLY 29 HA3 GLY 29 36.875 26.704 17.680
215 H ILE 30 H ILE 30 36.817 27.101 14.707
216 HA ILE 30 HA ILE 30 39.710 26.966 14.338
217 HB ILE 30 HB ILE 30 37.560 26.359 12.310
218 HG12 ILE 30 HG12 ILE 30 39.018 24.438 14.138
219 HG13 ILE 30 HG13 ILE 30 37.344 24.944 14.340
220 HG21 ILE 30 HG21 ILE 30 39.414 24.975 11.319
221 HG22 ILE 30 HG22 ILE 30 39.644 26.721 11.240
222 HG23 ILE 30 HG23 ILE 30 40.508 25.772 12.450
223 HD11 ILE 30 HD11 ILE 30 38.518 23.298 12.122
224 HD12 ILE 30 HD12 ILE 30 37.306 22.822 13.312
225 HD13 ILE 30 HD13 ILE 30 36.899 23.994 12.058
226 H SER 31 H SER 31 37.184 29.170 13.939
227 HA SER 31 HA SER 31 38.687 30.684 11.910
228 HB2 SER 31 HB2 SER 31 35.886 30.136 12.229
229 HB3 SER 31 HB3 SER 31 36.153 31.876 12.326
230 HG SER 31 HG SER 31 37.372 31.647 10.342
231 H ASP 32 H ASP 32 38.351 30.489 15.145
232 HA ASP 32 HA ASP 32 37.798 33.004 16.121
233 HB2 ASP 32 HB2 ASP 32 39.104 30.635 17.082
234 HB3 ASP 32 HB3 ASP 32 40.006 32.052 17.612
235 HA PRO 33 HA PRO 33 40.956 35.744 14.795
236 HB2 PRO 33 HB2 PRO 33 41.234 37.345 16.970
237 HB3 PRO 33 HB3 PRO 33 39.824 37.406 15.907
238 HG2 PRO 33 HG2 PRO 33 40.146 36.038 18.550
239 HG3 PRO 33 HG3 PRO 33 38.779 36.991 17.942
240 HD2 PRO 33 HD2 PRO 33 38.780 34.283 17.946
241 HD3 PRO 33 HD3 PRO 33 37.944 35.236 16.703
242 H GLN 34 H GLN 34 41.472 34.612 18.138
243 HA GLN 34 HA GLN 34 44.183 35.112 18.347
244 HB2 GLN 34 HB2 GLN 34 42.493 32.920 19.542
245 HB3 GLN 34 HB3 GLN 34 44.184 33.152 19.967
246 HG2 GLN 34 HG2 GLN 34 43.769 35.210 20.986
247 HG3 GLN 34 HG3 GLN 34 42.194 35.376 20.211
248 HE21 GLN 34 HE21 GLN 34 41.786 35.862 22.591
249 HE22 GLN 34 HE22 GLN 34 41.276 34.526 23.561
250 H HIS 35 H HIS 35 42.534 32.617 16.585
251 HA HIS 35 HA HIS 35 44.477 30.681 16.300
252 HB2 HIS 35 HB2 HIS 35 42.011 31.117 15.205
253 HB3 HIS 35 HB3 HIS 35 43.056 31.326 13.804
254 HD1 HIS 35 HD1 HIS 35 41.157 28.966 13.848
255 HD2 HIS 35 HD2 HIS 35 45.043 28.790 15.308
256 HE1 HIS 35 HE1 HIS 35 41.791 26.533 13.781
257 H ARG 36 H ARG 36 44.208 33.796 14.694
258 HA ARG 36 HA ARG 36 46.203 33.378 12.742
259 HB2 ARG 36 HB2 ARG 36 44.984 35.829 13.980
260 HB3 ARG 36 HB3 ARG 36 46.323 35.966 12.848
261 HG2 ARG 36 HG2 ARG 36 44.789 34.435 11.359
262 HG3 ARG 36 HG3 ARG 36 43.517 35.113 12.376
263 HD2 ARG 36 HD2 ARG 36 45.165 37.264 11.638
264 HD3 ARG 36 HD3 ARG 36 44.923 36.308 10.177
265 HE ARG 36 HE ARG 36 42.466 36.711 11.525
266 HH11 ARG 36 HH12 ARG 36 44.814 38.347 9.543
267 HH12 ARG 36 HH11 ARG 36 43.669 39.464 8.880
268 HH21 ARG 36 HH22 ARG 36 40.948 38.176 10.658
269 HH22 ARG 36 HH21 ARG 36 41.470 39.367 9.515
270 H ARG 37 H ARG 37 46.315 34.596 16.052
271 HA ARG 37 HA ARG 37 49.064 35.341 15.973
272 HB2 ARG 37 HB2 ARG 37 47.219 34.773 18.299
273 HB3 ARG 37 HB3 ARG 37 48.845 35.424 18.460
274 HG2 ARG 37 HG2 ARG 37 48.056 37.308 16.932
275 HG3 ARG 37 HG3 ARG 37 46.425 36.717 17.256
276 HD2 ARG 37 HD2 ARG 37 46.447 37.432 19.408
277 HD3 ARG 37 HD3 ARG 37 48.172 37.125 19.604
278 HE ARG 37 HE ARG 37 48.585 39.292 19.004
279 HH11 ARG 37 HH12 ARG 37 45.345 38.450 18.049
280 HH12 ARG 37 HH11 ARG 37 44.925 40.064 17.578
281 HH21 ARG 37 HH22 ARG 37 48.045 41.420 18.387
282 HH22 ARG 37 HH21 ARG 37 46.462 41.752 17.770
283 H LYS 38 H LYS 38 47.330 32.403 16.731
284 HA LYS 38 HA LYS 38 49.656 31.083 17.829
285 HB2 LYS 38 HB2 LYS 38 46.888 30.090 17.135
286 HB3 LYS 38 HB3 LYS 38 48.144 29.070 17.825
287 HG2 LYS 38 HG2 LYS 38 48.242 30.682 19.753
288 HG3 LYS 38 HG3 LYS 38 46.792 31.438 19.089
289 HD2 LYS 38 HD2 LYS 38 45.956 28.911 19.093
290 HD3 LYS 38 HD3 LYS 38 47.136 28.797 20.400
291 HE2 LYS 38 HE2 LYS 38 46.000 30.858 21.379
292 HE3 LYS 38 HE3 LYS 38 44.705 30.557 20.221
293 HZ1 LYS 38 HZ1 LYS 38 44.221 29.559 22.364
294 HZ2 LYS 38 HZ2 LYS 38 45.647 28.651 22.295
295 HZ3 LYS 38 HZ3 LYS 38 44.405 28.360 21.184
296 H LEU 39 H LEU 39 48.191 31.508 14.744
297 HA LEU 39 HA LEU 39 49.548 29.226 13.562
298 HB2 LEU 39 HB2 LEU 39 47.215 30.093 12.938
299 HB3 LEU 39 HB3 LEU 39 48.068 31.367 12.068
300 HG LEU 39 HG LEU 39 49.272 29.370 10.894
301 HD11 LEU 39 HD11 LEU 39 47.249 27.611 10.674
302 HD12 LEU 39 HD12 LEU 39 47.075 28.074 12.366
303 HD13 LEU 39 HD13 LEU 39 48.603 27.413 11.786
304 HD21 LEU 39 HD21 LEU 39 46.422 29.657 10.083
305 HD22 LEU 39 HD22 LEU 39 47.885 29.688 9.099
306 HD23 LEU 39 HD23 LEU 39 47.454 31.087 10.083
307 H LEU 40 H LEU 40 50.034 32.603 14.021
308 HA LEU 40 HA LEU 40 51.857 33.015 11.864
309 HB2 LEU 40 HB2 LEU 40 50.641 34.573 13.913
310 HB3 LEU 40 HB3 LEU 40 52.383 34.835 13.974
311 HG LEU 40 HG LEU 40 51.283 36.524 12.610
312 HD11 LEU 40 HD11 LEU 40 53.045 36.596 11.255
313 HD12 LEU 40 HD12 LEU 40 52.564 35.115 10.426
314 HD13 LEU 40 HD13 LEU 40 53.503 35.027 11.917
315 HD21 LEU 40 HD21 LEU 40 50.328 35.764 10.389
316 HD22 LEU 40 HD22 LEU 40 49.342 35.446 11.816
317 HD23 LEU 40 HD23 LEU 40 50.273 34.141 11.079
318 H GLN 41 H GLN 41 52.257 32.447 15.350
319 HA GLN 41 HA GLN 41 55.096 32.463 15.275
320 HB2 GLN 41 HB2 GLN 41 53.113 31.415 17.291
321 HB3 GLN 41 HB3 GLN 41 54.852 31.326 17.536
322 HG2 GLN 41 HG2 GLN 41 55.062 33.676 17.596
323 HG3 GLN 41 HG3 GLN 41 53.424 33.909 16.990
324 HE21 GLN 41 HE21 GLN 41 54.333 35.158 19.275
325 HE22 GLN 41 HE22 GLN 41 53.494 34.522 20.644
326 H ALA 42 H ALA 42 52.694 30.069 14.609
327 HA ALA 42 HA ALA 42 54.553 27.850 14.815
328 HB1 ALA 42 HB1 ALA 42 52.127 27.674 15.436
329 HB2 ALA 42 HB2 ALA 42 51.750 27.793 13.716
330 HB3 ALA 42 HB3 ALA 42 52.706 26.438 14.318
331 H ALA 43 H ALA 43 53.215 29.943 12.376
332 HA ALA 43 HA ALA 43 54.121 28.285 10.179
333 HB1 ALA 43 HB1 ALA 43 52.046 29.579 9.982
334 HB2 ALA 43 HB2 ALA 43 52.970 31.073 10.142
335 HB3 ALA 43 HB3 ALA 43 53.221 30.026 8.745
336 H ARG 44 H ARG 44 55.307 30.900 12.095
337 HA ARG 44 HA ARG 44 57.191 31.948 10.251
338 HB2 ARG 44 HB2 ARG 44 56.786 32.130 13.208
339 HB3 ARG 44 HB3 ARG 44 58.308 32.683 12.522
340 HG2 ARG 44 HG2 ARG 44 56.300 33.808 10.928
341 HG3 ARG 44 HG3 ARG 44 55.762 33.994 12.598
342 HD2 ARG 44 HD2 ARG 44 57.025 35.891 12.347
343 HD3 ARG 44 HD3 ARG 44 58.236 34.775 12.978
344 HE ARG 44 HE ARG 44 58.245 34.637 10.176
345 HH11 ARG 44 HH12 ARG 44 59.071 36.832 12.748
346 HH12 ARG 44 HH11 ARG 44 60.313 37.632 11.843
347 HH21 ARG 44 HH22 ARG 44 59.878 35.681 8.974
348 HH22 ARG 44 HH21 ARG 44 60.770 36.977 9.696
349 HN1 NH2 45 HN1 NH2 45 57.266 29.333 12.617
350 HN2 NH2 45 HN2 NH2 45 58.850 28.752 12.226
Start of MODEL 11
1 H1 ACE 1 H1 ACE 1 10.581 2.119 -0.560
2 H2 ACE 1 H2 ACE 1 8.815 2.137 -0.345
3 H3 ACE 1 H3 ACE 1 9.523 1.477 -1.839
4 H SER 2 H SER 2 7.596 3.653 -1.333
5 HA SER 2 HA SER 2 9.051 5.789 -2.749
6 HB2 SER 2 HB2 SER 2 6.244 4.748 -3.037
7 HB3 SER 2 HB3 SER 2 6.660 6.378 -3.567
8 HG SER 2 HG SER 2 6.955 4.211 -4.942
9 H LYS 3 H LYS 3 5.893 5.663 -1.123
10 HA LYS 3 HA LYS 3 5.944 8.258 -0.148
11 HB2 LYS 3 HB2 LYS 3 4.395 5.815 0.408
12 HB3 LYS 3 HB3 LYS 3 4.432 6.976 1.728
13 HG2 LYS 3 HG2 LYS 3 3.901 8.203 -0.860
14 HG3 LYS 3 HG3 LYS 3 2.694 7.004 -0.388
15 HD2 LYS 3 HD2 LYS 3 2.119 8.171 1.550
16 HD3 LYS 3 HD3 LYS 3 3.613 9.112 1.537
17 HE2 LYS 3 HE2 LYS 3 2.406 10.739 0.600
18 HE3 LYS 3 HE3 LYS 3 2.441 9.763 -0.867
19 HZ1 LYS 3 HZ1 LYS 3 0.274 10.137 1.066
20 HZ2 LYS 3 HZ2 LYS 3 0.387 8.641 0.284
21 HZ3 LYS 3 HZ3 LYS 3 0.211 10.058 -0.623
22 H LEU 4 H LEU 4 7.272 5.315 1.226
23 HA LEU 4 HA LEU 4 7.761 6.174 3.829
24 HB2 LEU 4 HB2 LEU 4 8.621 4.025 2.104
25 HB3 LEU 4 HB3 LEU 4 9.943 4.582 3.128
26 HG LEU 4 HG LEU 4 8.676 2.661 4.061
27 HD11 LEU 4 HD11 LEU 4 8.024 4.308 6.200
28 HD12 LEU 4 HD12 LEU 4 9.325 5.155 5.364
29 HD13 LEU 4 HD13 LEU 4 9.565 3.498 5.916
30 HD21 LEU 4 HD21 LEU 4 6.456 3.892 3.171
31 HD22 LEU 4 HD22 LEU 4 6.435 4.404 4.859
32 HD23 LEU 4 HD23 LEU 4 6.455 2.686 4.458
33 H LEU 5 H LEU 5 9.355 6.978 0.859
34 HA LEU 5 HA LEU 5 11.850 7.803 1.748
35 HB2 LEU 5 HB2 LEU 5 10.825 7.700 -0.634
36 HB3 LEU 5 HB3 LEU 5 10.343 9.365 -0.313
37 HG LEU 5 HG LEU 5 13.055 9.278 0.318
38 HD11 LEU 5 HD11 LEU 5 13.740 7.395 -0.740
39 HD12 LEU 5 HD12 LEU 5 13.747 8.482 -2.128
40 HD13 LEU 5 HD13 LEU 5 12.382 7.397 -1.865
41 HD21 LEU 5 HD21 LEU 5 11.302 10.453 -1.730
42 HD22 LEU 5 HD22 LEU 5 13.012 10.368 -2.155
43 HD23 LEU 5 HD23 LEU 5 12.507 11.213 -0.691
44 H LEU 6 H LEU 6 8.740 9.279 2.167
45 HA LEU 6 HA LEU 6 9.739 11.874 2.876
46 HB2 LEU 6 HB2 LEU 6 7.180 10.619 2.476
47 HB3 LEU 6 HB3 LEU 6 7.182 11.552 3.972
48 HG LEU 6 HG LEU 6 8.284 12.966 1.644
49 HD11 LEU 6 HD11 LEU 6 6.443 13.098 0.328
50 HD12 LEU 6 HD12 LEU 6 5.327 12.814 1.663
51 HD13 LEU 6 HD13 LEU 6 6.203 11.463 0.944
52 HD21 LEU 6 HD21 LEU 6 6.392 14.551 2.655
53 HD22 LEU 6 HD22 LEU 6 7.995 14.401 3.376
54 HD23 LEU 6 HD23 LEU 6 6.637 13.496 4.047
55 H ASN 7 H ASN 7 8.557 9.045 4.650
56 HA ASN 7 HA ASN 7 8.597 10.093 7.224
57 HB2 ASN 7 HB2 ASN 7 9.137 7.284 6.246
58 HB3 ASN 7 HB3 ASN 7 8.966 7.702 7.949
59 HD21 ASN 7 HD21 ASN 7 6.940 8.584 8.653
60 HD22 ASN 7 HD22 ASN 7 5.485 8.171 7.818
61 H GLY 8 H GLY 8 11.216 9.079 5.170
62 HA2 GLY 8 HA2 GLY 8 13.142 9.113 7.356
63 HA3 GLY 8 HA3 GLY 8 13.479 8.727 5.675
64 H PHE 9 H PHE 9 12.283 11.061 4.542
65 HA PHE 9 HA PHE 9 14.481 12.842 4.734
66 HB2 PHE 9 HB2 PHE 9 13.090 12.533 2.688
67 HB3 PHE 9 HB3 PHE 9 11.768 13.363 3.504
68 HD1 PHE 9 HD1 PHE 9 15.366 13.872 2.663
69 HD2 PHE 9 HD2 PHE 9 11.512 15.615 3.142
70 HE1 PHE 9 HE1 PHE 9 16.250 16.032 1.885
71 HE2 PHE 9 HE2 PHE 9 12.390 17.778 2.364
72 HZ PHE 9 HZ PHE 9 14.762 17.988 1.734
73 H ASP 10 H ASP 10 11.652 12.481 6.576
74 HA ASP 10 HA ASP 10 11.426 15.230 7.407
75 HB2 ASP 10 HB2 ASP 10 9.897 12.803 7.715
76 HB3 ASP 10 HB3 ASP 10 10.106 13.594 9.275
77 H ASP 11 H ASP 11 13.171 12.424 8.414
78 HA ASP 11 HA ASP 11 13.787 13.529 11.034
79 HB2 ASP 11 HB2 ASP 11 13.985 10.910 9.745
80 HB3 ASP 11 HB3 ASP 11 15.409 11.318 10.698
81 H VAL 12 H VAL 12 15.285 13.067 7.901
82 HA VAL 12 HA VAL 12 17.930 13.749 8.737
83 HB VAL 12 HB VAL 12 17.352 12.427 6.665
84 HG11 VAL 12 HG11 VAL 12 16.841 15.133 5.446
85 HG12 VAL 12 HG12 VAL 12 16.704 13.554 4.670
86 HG13 VAL 12 HG13 VAL 12 15.560 14.022 5.929
87 HG21 VAL 12 HG21 VAL 12 19.584 13.444 7.142
88 HG22 VAL 12 HG22 VAL 12 19.235 13.233 5.426
89 HG23 VAL 12 HG23 VAL 12 19.102 14.830 6.163
90 H HIS 13 H HIS 13 15.137 15.536 7.680
91 HA HIS 13 HA HIS 13 16.432 17.941 6.957
92 HB2 HIS 13 HB2 HIS 13 13.848 17.015 6.862
93 HB3 HIS 13 HB3 HIS 13 13.755 18.238 8.126
94 HD1 HIS 13 HD1 HIS 13 13.455 20.572 7.344
95 HD2 HIS 13 HD2 HIS 13 14.985 18.117 4.362
96 HE1 HIS 13 HE1 HIS 13 13.533 21.997 5.273
97 H PHE 14 H PHE 14 15.619 16.531 10.006
98 HA PHE 14 HA PHE 14 15.843 19.002 11.485
99 HB2 PHE 14 HB2 PHE 14 14.329 17.355 12.358
100 HB3 PHE 14 HB3 PHE 14 15.582 16.119 12.349
101 HD1 PHE 14 HD1 PHE 14 15.610 19.627 13.600
102 HD2 PHE 14 HD2 PHE 14 15.938 15.488 14.536
103 HE1 PHE 14 HE1 PHE 14 16.186 20.201 15.922
104 HE2 PHE 14 HE2 PHE 14 16.513 16.055 16.860
105 HZ PHE 14 HZ PHE 14 16.637 18.414 17.556
106 H LEU 15 H LEU 15 17.837 16.180 10.809
107 HA LEU 15 HA LEU 15 19.898 16.590 12.622
108 HB2 LEU 15 HB2 LEU 15 19.913 14.575 11.434
109 HB3 LEU 15 HB3 LEU 15 19.813 15.392 9.875
110 HG LEU 15 HG LEU 15 22.128 16.121 10.093
111 HD11 LEU 15 HD11 LEU 15 23.525 15.459 11.916
112 HD12 LEU 15 HD12 LEU 15 22.223 14.514 12.639
113 HD13 LEU 15 HD13 LEU 15 22.108 16.273 12.580
114 HD21 LEU 15 HD21 LEU 15 23.188 13.992 9.786
115 HD22 LEU 15 HD22 LEU 15 21.571 13.918 9.086
116 HD23 LEU 15 HD23 LEU 15 21.890 13.168 10.651
117 H GLY 16 H GLY 16 19.287 18.117 9.511
118 HA2 GLY 16 HA2 GLY 16 21.734 19.350 9.060
119 HA3 GLY 16 HA3 GLY 16 20.183 20.001 8.553
120 H SER 17 H SER 17 18.909 20.994 10.484
121 HA SER 17 HA SER 17 20.212 23.280 11.315
122 HB2 SER 17 HB2 SER 17 17.656 22.044 11.783
123 HB3 SER 17 HB3 SER 17 18.262 22.736 13.287
124 HG SER 17 HG SER 17 17.170 24.002 11.238
125 H ASN 18 H ASN 18 20.034 20.144 12.872
126 HA ASN 18 HA ASN 18 21.059 20.933 15.390
127 HB2 ASN 18 HB2 ASN 18 20.029 18.604 14.330
128 HB3 ASN 18 HB3 ASN 18 21.727 18.202 14.569
129 HD21 ASN 18 HD21 ASN 18 18.857 17.926 15.956
130 HD22 ASN 18 HD22 ASN 18 19.291 17.989 17.627
131 H VAL 19 H VAL 19 22.630 19.384 12.591
132 HA VAL 19 HA VAL 19 25.210 19.227 13.548
133 HB VAL 19 HB VAL 19 24.385 19.891 10.718
134 HG11 VAL 19 HG11 VAL 19 26.981 19.196 11.977
135 HG12 VAL 19 HG12 VAL 19 26.622 18.502 10.394
136 HG13 VAL 19 HG13 VAL 19 26.632 20.253 10.609
137 HG21 VAL 19 HG21 VAL 19 23.958 17.564 12.284
138 HG22 VAL 19 HG22 VAL 19 23.593 17.821 10.578
139 HG23 VAL 19 HG23 VAL 19 25.165 17.181 11.058
140 H MET 20 H MET 20 23.466 22.023 12.391
141 HA MET 20 HA MET 20 25.772 23.711 12.170
142 HB2 MET 20 HB2 MET 20 23.746 24.141 10.858
143 HB3 MET 20 HB3 MET 20 22.836 24.417 12.337
144 HG2 MET 20 HG2 MET 20 24.606 26.256 12.782
145 HG3 MET 20 HG3 MET 20 24.920 26.123 11.053
146 HE1 MET 20 HE1 MET 20 23.506 27.766 13.636
147 HE2 MET 20 HE2 MET 20 22.425 28.941 12.886
148 HE3 MET 20 HE3 MET 20 21.767 27.471 13.607
149 H GLU 21 H GLU 21 23.388 23.000 14.647
150 HA GLU 21 HA GLU 21 24.107 25.132 16.390
151 HB2 GLU 21 HB2 GLU 21 21.964 24.210 16.731
152 HB3 GLU 21 HB3 GLU 21 22.584 22.565 16.760
153 HG2 GLU 21 HG2 GLU 21 23.033 22.643 18.944
154 HG3 GLU 21 HG3 GLU 21 23.689 24.277 18.850
155 H GLU 22 H GLU 22 25.276 21.879 15.888
156 HA GLU 22 HA GLU 22 26.842 21.825 18.305
157 HB2 GLU 22 HB2 GLU 22 27.086 20.006 15.908
158 HB3 GLU 22 HB3 GLU 22 27.635 19.688 17.548
159 HG2 GLU 22 HG2 GLU 22 24.745 20.103 16.847
160 HG3 GLU 22 HG3 GLU 22 25.523 18.521 16.832
161 H GLN 23 H GLN 23 27.327 22.677 14.956
162 HA GLN 23 HA GLN 23 30.208 22.858 15.253
163 HB2 GLN 23 HB2 GLN 23 28.389 22.618 13.074
164 HB3 GLN 23 HB3 GLN 23 29.310 24.099 12.849
165 HG2 GLN 23 HG2 GLN 23 31.286 22.999 12.577
166 HG3 GLN 23 HG3 GLN 23 30.791 21.633 13.575
167 HE21 GLN 23 HE21 GLN 23 29.199 23.122 10.792
168 HE22 GLN 23 HE22 GLN 23 29.204 21.703 9.806
169 H ASP 24 H ASP 24 27.443 24.893 15.516
170 HA ASP 24 HA ASP 24 28.840 27.373 15.123
171 HB2 ASP 24 HB2 ASP 24 26.423 27.157 14.671
172 HB3 ASP 24 HB3 ASP 24 26.138 26.852 16.382
173 H LEU 25 H LEU 25 28.051 25.307 17.825
174 HA LEU 25 HA LEU 25 28.723 27.251 19.831
175 HB2 LEU 25 HB2 LEU 25 28.198 25.627 21.397
176 HB3 LEU 25 HB3 LEU 25 27.142 25.240 20.040
177 HG LEU 25 HG LEU 25 29.160 23.609 19.444
178 HD11 LEU 25 HD11 LEU 25 29.437 24.204 22.358
179 HD12 LEU 25 HD12 LEU 25 30.686 23.980 21.133
180 HD13 LEU 25 HD13 LEU 25 29.793 22.588 21.745
181 HD21 LEU 25 HD21 LEU 25 26.662 23.212 20.062
182 HD22 LEU 25 HD22 LEU 25 27.318 22.733 21.628
183 HD23 LEU 25 HD23 LEU 25 27.814 21.880 20.165
184 H ARG 26 H ARG 26 30.470 25.109 17.836
185 HA ARG 26 HA ARG 26 32.809 25.194 19.611
186 HB2 ARG 26 HB2 ARG 26 33.661 23.322 18.488
187 HB3 ARG 26 HB3 ARG 26 31.936 22.999 18.605
188 HG2 ARG 26 HG2 ARG 26 31.639 23.751 16.297
189 HG3 ARG 26 HG3 ARG 26 33.373 24.061 16.182
190 HD2 ARG 26 HD2 ARG 26 33.783 21.667 16.679
191 HD3 ARG 26 HD3 ARG 26 32.041 21.397 16.650
192 HE ARG 26 HE ARG 26 32.743 22.612 14.246
193 HH11 ARG 26 HH12 ARG 26 33.335 19.628 15.938
194 HH12 ARG 26 HH11 ARG 26 33.542 18.697 14.491
195 HH21 ARG 26 HH22 ARG 26 33.013 21.398 12.334
196 HH22 ARG 26 HH21 ARG 26 33.359 19.705 12.442
197 H ASP 27 H ASP 27 31.614 26.169 16.474
198 HA ASP 27 HA ASP 27 33.934 26.873 15.161
199 HB2 ASP 27 HB2 ASP 27 31.788 27.006 14.058
200 HB3 ASP 27 HB3 ASP 27 31.253 28.272 15.160
201 H ILE 28 H ILE 28 32.239 28.589 17.717
202 HA ILE 28 HA ILE 28 33.441 31.071 17.595
203 HB ILE 28 HB ILE 28 32.736 29.531 20.096
204 HG12 ILE 28 HG12 ILE 28 31.066 31.621 18.708
205 HG13 ILE 28 HG13 ILE 28 30.933 29.912 18.307
206 HG21 ILE 28 HG21 ILE 28 33.702 32.273 19.616
207 HG22 ILE 28 HG22 ILE 28 32.337 32.120 20.721
208 HG23 ILE 28 HG23 ILE 28 33.837 31.254 21.049
209 HD11 ILE 28 HD11 ILE 28 29.288 30.905 19.997
210 HD12 ILE 28 HD12 ILE 28 30.063 29.370 20.391
211 HD13 ILE 28 HD13 ILE 28 30.641 30.864 21.127
212 H GLY 29 H GLY 29 34.795 28.031 18.589
213 HA2 GLY 29 HA2 GLY 29 37.182 29.367 19.658
214 HA3 GLY 29 HA3 GLY 29 36.781 27.667 19.855
215 H ILE 30 H ILE 30 36.064 27.837 16.826
216 HA ILE 30 HA ILE 30 38.790 27.217 15.939
217 HB ILE 30 HB ILE 30 36.262 26.605 14.425
218 HG12 ILE 30 HG12 ILE 30 37.664 24.875 16.474
219 HG13 ILE 30 HG13 ILE 30 36.072 25.602 16.655
220 HG21 ILE 30 HG21 ILE 30 37.644 25.750 12.915
221 HG22 ILE 30 HG22 ILE 30 39.014 26.307 13.876
222 HG23 ILE 30 HG23 ILE 30 38.355 24.691 14.133
223 HD11 ILE 30 HD11 ILE 30 36.923 23.284 15.005
224 HD12 ILE 30 HD12 ILE 30 35.512 23.478 16.044
225 HD13 ILE 30 HD13 ILE 30 35.558 24.262 14.466
226 H SER 31 H SER 31 36.870 29.819 15.976
227 HA SER 31 HA SER 31 37.862 30.778 13.373
228 HB2 SER 31 HB2 SER 31 35.158 30.654 14.328
229 HB3 SER 31 HB3 SER 31 35.622 32.343 14.121
230 HG SER 31 HG SER 31 35.472 32.055 12.056
231 H ASP 32 H ASP 32 38.264 31.015 16.585
232 HA ASP 32 HA ASP 32 38.195 33.671 17.300
233 HB2 ASP 32 HB2 ASP 32 39.461 31.287 18.268
234 HB3 ASP 32 HB3 ASP 32 40.602 32.625 18.368
235 HA PRO 33 HA PRO 33 41.176 35.837 14.919
236 HB2 PRO 33 HB2 PRO 33 42.084 37.653 16.720
237 HB3 PRO 33 HB3 PRO 33 40.476 37.744 15.991
238 HG2 PRO 33 HG2 PRO 33 41.282 36.689 18.674
239 HG3 PRO 33 HG3 PRO 33 39.898 37.711 18.243
240 HD2 PRO 33 HD2 PRO 33 39.670 35.043 18.647
241 HD3 PRO 33 HD3 PRO 33 38.654 35.924 17.488
242 H GLN 34 H GLN 34 42.156 34.380 17.935
243 HA GLN 34 HA GLN 34 44.972 34.776 17.508
244 HB2 GLN 34 HB2 GLN 34 43.534 32.939 19.431
245 HB3 GLN 34 HB3 GLN 34 45.251 33.320 19.468
246 HG2 GLN 34 HG2 GLN 34 44.585 35.732 19.769
247 HG3 GLN 34 HG3 GLN 34 42.939 35.153 20.022
248 HE21 GLN 34 HE21 GLN 34 42.507 33.831 21.838
249 HE22 GLN 34 HE22 GLN 34 43.530 33.871 23.229
250 H HIS 35 H HIS 35 42.779 32.863 16.002
251 HA HIS 35 HA HIS 35 44.334 30.440 15.818
252 HB2 HIS 35 HB2 HIS 35 41.671 31.068 15.407
253 HB3 HIS 35 HB3 HIS 35 42.279 30.809 13.775
254 HD1 HIS 35 HD1 HIS 35 40.257 28.848 14.895
255 HD2 HIS 35 HD2 HIS 35 44.364 28.354 15.277
256 HE1 HIS 35 HE1 HIS 35 40.607 26.385 15.261
257 H ARG 36 H ARG 36 43.541 33.158 13.678
258 HA ARG 36 HA ARG 36 44.993 32.220 11.445
259 HB2 ARG 36 HB2 ARG 36 44.906 34.635 10.716
260 HB3 ARG 36 HB3 ARG 36 43.350 33.899 11.078
261 HG2 ARG 36 HG2 ARG 36 43.134 35.077 13.091
262 HG3 ARG 36 HG3 ARG 36 44.842 35.521 13.110
263 HD2 ARG 36 HD2 ARG 36 44.271 37.444 12.153
264 HD3 ARG 36 HD3 ARG 36 43.856 36.528 10.705
265 HE ARG 36 HE ARG 36 42.032 37.696 12.609
266 HH11 ARG 36 HH12 ARG 36 42.460 35.327 10.094
267 HH12 ARG 36 HH11 ARG 36 40.774 35.243 9.706
268 HH21 ARG 36 HH22 ARG 36 39.809 37.595 12.106
269 HH22 ARG 36 HH21 ARG 36 39.267 36.535 10.850
270 H ARG 37 H ARG 37 45.892 34.114 14.257
271 HA ARG 37 HA ARG 37 48.490 34.805 13.234
272 HB2 ARG 37 HB2 ARG 37 48.856 35.893 15.307
273 HB3 ARG 37 HB3 ARG 37 47.161 36.157 14.918
274 HG2 ARG 37 HG2 ARG 37 46.771 35.489 17.008
275 HG3 ARG 37 HG3 ARG 37 47.056 33.860 16.391
276 HD2 ARG 37 HD2 ARG 37 48.653 33.733 17.951
277 HD3 ARG 37 HD3 ARG 37 49.596 34.766 16.879
278 HE ARG 37 HE ARG 37 48.128 36.510 18.370
279 HH11 ARG 37 HH12 ARG 37 50.330 33.915 19.099
280 HH12 ARG 37 HH11 ARG 37 50.884 34.626 20.579
281 HH21 ARG 37 HH22 ARG 37 48.848 37.456 20.316
282 HH22 ARG 37 HH21 ARG 37 50.039 36.640 21.271
283 H LYS 38 H LYS 38 47.099 32.177 14.988
284 HA LYS 38 HA LYS 38 49.678 31.187 15.904
285 HB2 LYS 38 HB2 LYS 38 46.827 30.368 16.317
286 HB3 LYS 38 HB3 LYS 38 48.112 29.210 16.632
287 HG2 LYS 38 HG2 LYS 38 49.132 30.847 18.192
288 HG3 LYS 38 HG3 LYS 38 47.732 31.893 17.944
289 HD2 LYS 38 HD2 LYS 38 46.463 29.624 18.573
290 HD3 LYS 38 HD3 LYS 38 47.971 29.352 19.449
291 HE2 LYS 38 HE2 LYS 38 47.570 31.803 20.281
292 HE3 LYS 38 HE3 LYS 38 45.898 31.464 19.838
293 HZ1 LYS 38 HZ1 LYS 38 45.694 29.874 21.452
294 HZ2 LYS 38 HZ2 LYS 38 46.753 30.945 22.221
295 HZ3 LYS 38 HZ3 LYS 38 47.351 29.533 21.506
296 H LEU 39 H LEU 39 47.522 30.799 13.257
297 HA LEU 39 HA LEU 39 48.664 28.239 12.463
298 HB2 LEU 39 HB2 LEU 39 46.183 29.076 12.226
299 HB3 LEU 39 HB3 LEU 39 46.798 29.802 10.742
300 HG LEU 39 HG LEU 39 47.640 27.409 10.209
301 HD11 LEU 39 HD11 LEU 39 45.390 26.224 11.544
302 HD12 LEU 39 HD12 LEU 39 46.493 26.942 12.717
303 HD13 LEU 39 HD13 LEU 39 47.087 25.745 11.566
304 HD21 LEU 39 HD21 LEU 39 45.706 27.008 8.966
305 HD22 LEU 39 HD22 LEU 39 45.721 28.759 9.174
306 HD23 LEU 39 HD23 LEU 39 44.661 27.761 10.171
307 H LEU 40 H LEU 40 49.051 31.600 11.844
308 HA LEU 40 HA LEU 40 50.189 31.436 9.252
309 HB2 LEU 40 HB2 LEU 40 49.562 33.456 11.125
310 HB3 LEU 40 HB3 LEU 40 51.269 33.632 10.726
311 HG LEU 40 HG LEU 40 49.989 35.062 9.294
312 HD11 LEU 40 HD11 LEU 40 51.928 33.709 8.372
313 HD12 LEU 40 HD12 LEU 40 50.812 34.399 7.195
314 HD13 LEU 40 HD13 LEU 40 50.713 32.686 7.605
315 HD21 LEU 40 HD21 LEU 40 48.410 32.583 8.626
316 HD22 LEU 40 HD22 LEU 40 48.312 34.094 7.722
317 HD23 LEU 40 HD23 LEU 40 47.825 34.047 9.417
318 H GLN 41 H GLN 41 51.729 31.928 12.435
319 HA GLN 41 HA GLN 41 54.364 31.589 11.462
320 HB2 GLN 41 HB2 GLN 41 53.070 31.801 14.120
321 HB3 GLN 41 HB3 GLN 41 54.645 31.019 14.080
322 HG2 GLN 41 HG2 GLN 41 55.722 32.933 13.348
323 HG3 GLN 41 HG3 GLN 41 54.234 33.659 12.743
324 HE21 GLN 41 HE21 GLN 41 55.725 35.260 14.189
325 HE22 GLN 41 HE22 GLN 41 55.091 35.482 15.780
326 H ALA 42 H ALA 42 51.893 29.371 12.378
327 HA ALA 42 HA ALA 42 53.679 27.149 12.833
328 HB1 ALA 42 HB1 ALA 42 51.549 27.308 14.031
329 HB2 ALA 42 HB2 ALA 42 50.682 27.179 12.500
330 HB3 ALA 42 HB3 ALA 42 51.653 25.826 13.080
331 H ALA 43 H ALA 43 51.829 28.474 10.187
332 HA ALA 43 HA ALA 43 52.275 26.136 8.515
333 HB1 ALA 43 HB1 ALA 43 50.894 28.756 7.952
334 HB2 ALA 43 HB2 ALA 43 51.010 27.414 6.813
335 HB3 ALA 43 HB3 ALA 43 50.129 27.212 8.327
336 H ARG 44 H ARG 44 53.682 29.225 9.131
337 HA ARG 44 HA ARG 44 55.019 29.579 6.654
338 HB2 ARG 44 HB2 ARG 44 55.287 30.740 9.397
339 HB3 ARG 44 HB3 ARG 44 56.571 31.015 8.227
340 HG2 ARG 44 HG2 ARG 44 54.210 31.577 6.856
341 HG3 ARG 44 HG3 ARG 44 54.001 32.283 8.460
342 HD2 ARG 44 HD2 ARG 44 56.411 33.190 8.074
343 HD3 ARG 44 HD3 ARG 44 56.056 32.884 6.374
344 HE ARG 44 HE ARG 44 54.684 34.710 6.377
345 HH11 ARG 44 HH12 ARG 44 55.264 33.730 9.667
346 HH12 ARG 44 HH11 ARG 44 54.468 35.106 10.355
347 HH21 ARG 44 HH22 ARG 44 53.633 36.527 7.272
348 HH22 ARG 44 HH21 ARG 44 53.539 36.696 8.992
349 HN1 NH2 45 HN1 NH2 45 55.813 27.902 9.654
350 HN2 NH2 45 HN2 NH2 45 57.302 27.205 9.108
Start of MODEL 12
1 H1 ACE 1 H1 ACE 1 8.357 7.713 -5.071
2 H2 ACE 1 H2 ACE 1 10.012 7.502 -4.451
3 H3 ACE 1 H3 ACE 1 9.544 6.769 -6.004
4 H SER 2 H SER 2 8.621 6.832 -2.592
5 HA SER 2 HA SER 2 7.498 4.167 -2.766
6 HB2 SER 2 HB2 SER 2 10.197 4.676 -1.741
7 HB3 SER 2 HB3 SER 2 9.167 3.806 -0.604
8 HG SER 2 HG SER 2 10.442 2.782 -2.616
9 H LYS 3 H LYS 3 7.022 3.438 -0.337
10 HA LYS 3 HA LYS 3 5.498 5.651 0.808
11 HB2 LYS 3 HB2 LYS 3 5.110 2.812 0.554
12 HB3 LYS 3 HB3 LYS 3 5.006 3.273 2.248
13 HG2 LYS 3 HG2 LYS 3 3.525 4.964 0.334
14 HG3 LYS 3 HG3 LYS 3 2.921 3.324 0.577
15 HD2 LYS 3 HD2 LYS 3 1.856 4.153 2.361
16 HD3 LYS 3 HD3 LYS 3 3.439 4.177 3.141
17 HE2 LYS 3 HE2 LYS 3 3.571 6.503 1.828
18 HE3 LYS 3 HE3 LYS 3 1.823 6.399 2.035
19 HZ1 LYS 3 HZ1 LYS 3 2.015 6.935 4.163
20 HZ2 LYS 3 HZ2 LYS 3 3.650 7.273 3.891
21 HZ3 LYS 3 HZ3 LYS 3 3.183 5.743 4.443
22 H LEU 4 H LEU 4 8.518 4.737 1.148
23 HA LEU 4 HA LEU 4 8.535 4.987 4.084
24 HB2 LEU 4 HB2 LEU 4 9.541 2.926 2.795
25 HB3 LEU 4 HB3 LEU 4 10.905 4.017 2.560
26 HG LEU 4 HG LEU 4 10.922 4.284 5.094
27 HD11 LEU 4 HD11 LEU 4 9.718 2.893 6.450
28 HD12 LEU 4 HD12 LEU 4 9.542 1.652 5.210
29 HD13 LEU 4 HD13 LEU 4 8.565 3.118 5.134
30 HD21 LEU 4 HD21 LEU 4 12.680 3.071 4.138
31 HD22 LEU 4 HD22 LEU 4 11.625 1.738 3.667
32 HD23 LEU 4 HD23 LEU 4 12.019 1.992 5.368
33 H LEU 5 H LEU 5 8.405 7.132 2.046
34 HA LEU 5 HA LEU 5 11.016 8.415 2.324
35 HB2 LEU 5 HB2 LEU 5 8.811 8.569 0.451
36 HB3 LEU 5 HB3 LEU 5 9.315 10.166 1.000
37 HG LEU 5 HG LEU 5 10.385 9.411 -1.121
38 HD11 LEU 5 HD11 LEU 5 12.623 9.631 0.790
39 HD12 LEU 5 HD12 LEU 5 11.405 10.905 0.855
40 HD13 LEU 5 HD13 LEU 5 12.260 10.578 -0.652
41 HD21 LEU 5 HD21 LEU 5 11.745 7.420 0.693
42 HD22 LEU 5 HD22 LEU 5 12.169 7.742 -0.989
43 HD23 LEU 5 HD23 LEU 5 10.599 7.041 -0.593
44 H LEU 6 H LEU 6 7.716 8.663 3.436
45 HA LEU 6 HA LEU 6 7.888 11.270 4.533
46 HB2 LEU 6 HB2 LEU 6 6.021 9.004 4.644
47 HB3 LEU 6 HB3 LEU 6 6.007 10.048 6.064
48 HG LEU 6 HG LEU 6 5.858 11.464 3.493
49 HD11 LEU 6 HD11 LEU 6 3.752 9.503 4.343
50 HD12 LEU 6 HD12 LEU 6 4.486 9.717 2.754
51 HD13 LEU 6 HD13 LEU 6 3.367 10.929 3.379
52 HD21 LEU 6 HD21 LEU 6 3.957 11.648 5.798
53 HD22 LEU 6 HD22 LEU 6 4.482 12.906 4.678
54 HD23 LEU 6 HD23 LEU 6 5.585 12.316 5.922
55 H ASN 7 H ASN 7 8.032 8.063 6.090
56 HA ASN 7 HA ASN 7 8.622 8.945 8.665
57 HB2 ASN 7 HB2 ASN 7 9.709 6.388 7.491
58 HB3 ASN 7 HB3 ASN 7 9.241 6.706 9.159
59 HD21 ASN 7 HD21 ASN 7 7.005 6.922 9.648
60 HD22 ASN 7 HD22 ASN 7 5.814 6.168 8.648
61 H GLY 8 H GLY 8 10.659 8.621 5.861
62 HA2 GLY 8 HA2 GLY 8 13.107 8.914 7.408
63 HA3 GLY 8 HA3 GLY 8 12.989 8.736 5.664
64 H PHE 9 H PHE 9 10.875 10.922 5.705
65 HA PHE 9 HA PHE 9 12.732 13.096 5.324
66 HB2 PHE 9 HB2 PHE 9 10.834 12.701 3.773
67 HB3 PHE 9 HB3 PHE 9 9.717 13.083 5.079
68 HD1 PHE 9 HD2 PHE 9 12.722 14.587 3.450
69 HD2 PHE 9 HD1 PHE 9 8.842 15.196 5.091
70 HE1 PHE 9 HE2 PHE 9 12.847 16.970 2.851
71 HE2 PHE 9 HE1 PHE 9 8.960 17.580 4.493
72 HZ PHE 9 HZ PHE 9 10.965 18.470 3.373
73 H ASP 10 H ASP 10 10.785 11.941 7.858
74 HA ASP 10 HA ASP 10 10.381 14.482 9.157
75 HB2 ASP 10 HB2 ASP 10 8.964 12.277 9.335
76 HB3 ASP 10 HB3 ASP 10 10.134 11.861 10.584
77 H ASP 11 H ASP 11 12.804 12.025 9.106
78 HA ASP 11 HA ASP 11 14.047 12.960 11.567
79 HB2 ASP 11 HB2 ASP 11 14.147 10.548 9.977
80 HB3 ASP 11 HB3 ASP 11 15.772 11.151 10.289
81 H VAL 12 H VAL 12 14.468 13.157 8.102
82 HA VAL 12 HA VAL 12 17.104 14.270 8.199
83 HB VAL 12 HB VAL 12 16.100 13.059 6.218
84 HG11 VAL 12 HG11 VAL 12 14.952 15.628 5.287
85 HG12 VAL 12 HG12 VAL 12 14.480 13.970 4.909
86 HG13 VAL 12 HG13 VAL 12 14.012 14.693 6.449
87 HG21 VAL 12 HG21 VAL 12 16.996 15.094 4.655
88 HG22 VAL 12 HG22 VAL 12 17.696 15.523 6.216
89 HG23 VAL 12 HG23 VAL 12 18.037 13.948 5.500
90 H HIS 13 H HIS 13 13.867 15.531 8.339
91 HA HIS 13 HA HIS 13 14.420 18.207 7.627
92 HB2 HIS 13 HB2 HIS 13 12.151 16.784 8.204
93 HB3 HIS 13 HB3 HIS 13 12.295 17.819 9.621
94 HD1 HIS 13 HD1 HIS 13 11.353 20.099 9.383
95 HD2 HIS 13 HD2 HIS 13 12.181 18.366 5.699
96 HE1 HIS 13 HE1 HIS 13 10.486 21.721 7.667
97 H PHE 14 H PHE 14 14.929 16.395 10.531
98 HA PHE 14 HA PHE 14 15.304 18.759 12.171
99 HB2 PHE 14 HB2 PHE 14 14.350 16.445 12.912
100 HB3 PHE 14 HB3 PHE 14 16.044 15.981 13.029
101 HD1 PHE 14 HD1 PHE 14 14.154 19.070 13.933
102 HD2 PHE 14 HD2 PHE 14 16.718 15.924 15.217
103 HE1 PHE 14 HE1 PHE 14 14.272 20.084 16.172
104 HE2 PHE 14 HE2 PHE 14 16.839 16.932 17.458
105 HZ PHE 14 HZ PHE 14 15.615 19.014 17.938
106 H LEU 15 H LEU 15 17.260 16.208 10.705
107 HA LEU 15 HA LEU 15 19.727 16.850 11.835
108 HB2 LEU 15 HB2 LEU 15 18.770 15.355 9.505
109 HB3 LEU 15 HB3 LEU 15 20.397 16.009 9.325
110 HG LEU 15 HG LEU 15 20.305 13.657 10.148
111 HD11 LEU 15 HD11 LEU 15 22.245 13.980 11.214
112 HD12 LEU 15 HD12 LEU 15 21.522 15.053 12.412
113 HD13 LEU 15 HD13 LEU 15 21.994 15.684 10.834
114 HD21 LEU 15 HD21 LEU 15 18.291 13.898 11.540
115 HD22 LEU 15 HD22 LEU 15 19.198 14.926 12.651
116 HD23 LEU 15 HD23 LEU 15 19.653 13.234 12.443
117 H GLY 16 H GLY 16 17.964 18.329 9.202
118 HA2 GLY 16 HA2 GLY 16 20.127 19.834 8.133
119 HA3 GLY 16 HA3 GLY 16 18.418 20.153 7.876
120 H SER 17 H SER 17 17.731 20.490 10.636
121 HA SER 17 HA SER 17 18.613 23.226 10.948
122 HB2 SER 17 HB2 SER 17 16.363 23.113 11.439
123 HB3 SER 17 HB3 SER 17 16.492 21.511 12.164
124 HG SER 17 HG SER 17 16.184 22.925 13.828
125 H ASN 18 H ASN 18 19.467 20.157 12.177
126 HA ASN 18 HA ASN 18 20.672 21.228 14.602
127 HB2 ASN 18 HB2 ASN 18 19.704 18.674 13.775
128 HB3 ASN 18 HB3 ASN 18 21.411 18.510 14.174
129 HD21 ASN 18 HD21 ASN 18 18.851 17.653 15.501
130 HD22 ASN 18 HD22 ASN 18 19.010 18.205 17.131
131 H VAL 19 H VAL 19 21.611 19.916 11.476
132 HA VAL 19 HA VAL 19 24.370 19.681 11.933
133 HB VAL 19 HB VAL 19 23.067 18.796 9.943
134 HG11 VAL 19 HG11 VAL 19 22.250 21.291 9.539
135 HG12 VAL 19 HG12 VAL 19 23.682 21.318 8.509
136 HG13 VAL 19 HG13 VAL 19 22.410 20.130 8.222
137 HG21 VAL 19 HG21 VAL 19 25.356 18.439 9.838
138 HG22 VAL 19 HG22 VAL 19 25.038 19.326 8.348
139 HG23 VAL 19 HG23 VAL 19 25.723 20.161 9.742
140 H MET 20 H MET 20 22.362 22.438 11.241
141 HA MET 20 HA MET 20 24.495 24.183 10.472
142 HB2 MET 20 HB2 MET 20 22.883 25.864 10.317
143 HB3 MET 20 HB3 MET 20 21.980 24.403 9.942
144 HG2 MET 20 HG2 MET 20 21.419 24.398 12.468
145 HG3 MET 20 HG3 MET 20 21.906 26.090 12.403
146 HE1 MET 20 HE1 MET 20 18.523 26.768 12.831
147 HE2 MET 20 HE2 MET 20 18.155 25.049 12.690
148 HE3 MET 20 HE3 MET 20 19.599 25.574 13.557
149 H GLU 21 H GLU 21 22.873 23.374 13.476
150 HA GLU 21 HA GLU 21 23.941 25.498 15.021
151 HB2 GLU 21 HB2 GLU 21 22.006 24.373 15.847
152 HB3 GLU 21 HB3 GLU 21 22.802 22.808 15.768
153 HG2 GLU 21 HG2 GLU 21 22.664 23.517 18.053
154 HG3 GLU 21 HG3 GLU 21 24.350 23.535 17.540
155 H GLU 22 H GLU 22 24.965 22.151 14.471
156 HA GLU 22 HA GLU 22 27.186 22.255 16.238
157 HB2 GLU 22 HB2 GLU 22 27.909 20.182 15.083
158 HB3 GLU 22 HB3 GLU 22 26.237 20.122 15.625
159 HG2 GLU 22 HG2 GLU 22 25.494 20.647 13.348
160 HG3 GLU 22 HG3 GLU 22 27.174 20.658 12.815
161 H GLN 23 H GLN 23 26.682 23.206 12.939
162 HA GLN 23 HA GLN 23 29.470 23.342 12.261
163 HB2 GLN 23 HB2 GLN 23 26.982 23.552 10.882
164 HB3 GLN 23 HB3 GLN 23 27.921 25.000 10.544
165 HG2 GLN 23 HG2 GLN 23 29.792 23.618 9.806
166 HG3 GLN 23 HG3 GLN 23 28.854 22.165 10.149
167 HE21 GLN 23 HE21 GLN 23 26.560 22.332 9.086
168 HE22 GLN 23 HE22 GLN 23 26.582 22.752 7.410
169 H ASP 24 H ASP 24 27.002 25.588 13.376
170 HA ASP 24 HA ASP 24 28.665 27.909 13.083
171 HB2 ASP 24 HB2 ASP 24 26.025 27.660 13.204
172 HB3 ASP 24 HB3 ASP 24 26.318 27.896 14.925
173 H LEU 25 H LEU 25 28.312 25.446 15.426
174 HA LEU 25 HA LEU 25 29.362 27.039 17.613
175 HB2 LEU 25 HB2 LEU 25 27.887 24.640 17.371
176 HB3 LEU 25 HB3 LEU 25 29.411 24.236 18.159
177 HG LEU 25 HG LEU 25 28.958 25.805 19.936
178 HD11 LEU 25 HD11 LEU 25 27.719 27.596 19.510
179 HD12 LEU 25 HD12 LEU 25 26.297 26.557 19.577
180 HD13 LEU 25 HD13 LEU 25 27.082 26.876 18.031
181 HD21 LEU 25 HD21 LEU 25 26.364 24.362 19.606
182 HD22 LEU 25 HD22 LEU 25 27.359 24.569 21.047
183 HD23 LEU 25 HD23 LEU 25 27.861 23.447 19.782
184 H ARG 26 H ARG 26 30.518 24.916 15.148
185 HA ARG 26 HA ARG 26 33.070 24.477 16.473
186 HB2 ARG 26 HB2 ARG 26 33.591 22.997 14.686
187 HB3 ARG 26 HB3 ARG 26 31.907 22.705 15.101
188 HG2 ARG 26 HG2 ARG 26 31.141 23.871 13.184
189 HG3 ARG 26 HG3 ARG 26 32.753 24.503 12.847
190 HD2 ARG 26 HD2 ARG 26 32.985 22.772 11.458
191 HD3 ARG 26 HD3 ARG 26 33.143 21.778 12.906
192 HE ARG 26 HE ARG 26 30.863 21.933 11.133
193 HH11 ARG 26 HH12 ARG 26 32.066 20.968 14.254
194 HH12 ARG 26 HH11 ARG 26 30.798 19.821 14.534
195 HH21 ARG 26 HH22 ARG 26 29.188 20.425 11.489
196 HH22 ARG 26 HH21 ARG 26 29.162 19.512 12.960
197 H ASP 27 H ASP 27 31.664 26.473 13.992
198 HA ASP 27 HA ASP 27 34.043 27.315 12.729
199 HB2 ASP 27 HB2 ASP 27 31.674 27.614 11.876
200 HB3 ASP 27 HB3 ASP 27 31.523 28.954 13.009
201 H ILE 28 H ILE 28 32.301 28.475 15.557
202 HA ILE 28 HA ILE 28 33.555 30.916 15.954
203 HB ILE 28 HB ILE 28 32.665 28.955 18.072
204 HG12 ILE 28 HG12 ILE 28 31.132 31.353 17.099
205 HG13 ILE 28 HG13 ILE 28 31.002 29.803 16.274
206 HG21 ILE 28 HG21 ILE 28 32.318 31.427 19.135
207 HG22 ILE 28 HG22 ILE 28 33.722 30.401 19.426
208 HG23 ILE 28 HG23 ILE 28 33.791 31.662 18.195
209 HD11 ILE 28 HD11 ILE 28 29.563 30.684 18.498
210 HD12 ILE 28 HD12 ILE 28 29.557 29.074 17.777
211 HD13 ILE 28 HD13 ILE 28 30.666 29.445 19.096
212 H GLY 29 H GLY 29 34.776 27.698 16.396
213 HA2 GLY 29 HA2 GLY 29 37.082 28.645 17.922
214 HA3 GLY 29 HA3 GLY 29 36.696 26.970 17.554
215 H ILE 30 H ILE 30 36.224 27.889 14.675
216 HA ILE 30 HA ILE 30 38.998 27.539 13.851
217 HB ILE 30 HB ILE 30 36.506 27.566 12.145
218 HG12 ILE 30 HG12 ILE 30 38.073 25.175 13.129
219 HG13 ILE 30 HG13 ILE 30 36.592 25.749 13.887
220 HG21 ILE 30 HG21 ILE 30 37.951 27.657 10.457
221 HG22 ILE 30 HG22 ILE 30 39.328 27.473 11.542
222 HG23 ILE 30 HG23 ILE 30 38.492 26.046 10.931
223 HD11 ILE 30 HD11 ILE 30 36.046 23.928 12.458
224 HD12 ILE 30 HD12 ILE 30 35.435 25.405 11.710
225 HD13 ILE 30 HD13 ILE 30 36.914 24.657 11.106
226 H SER 31 H SER 31 36.702 30.027 14.175
227 HA SER 31 HA SER 31 38.178 31.754 12.306
228 HB2 SER 31 HB2 SER 31 35.378 31.440 12.863
229 HB3 SER 31 HB3 SER 31 35.866 33.091 13.245
230 HG SER 31 HG SER 31 35.723 33.383 11.171
231 H ASP 32 H ASP 32 38.161 30.960 15.463
232 HA ASP 32 HA ASP 32 38.021 33.275 16.948
233 HB2 ASP 32 HB2 ASP 32 39.116 30.644 17.286
234 HB3 ASP 32 HB3 ASP 32 40.240 31.828 17.946
235 HA PRO 33 HA PRO 33 41.335 35.893 15.761
236 HB2 PRO 33 HB2 PRO 33 42.022 37.007 18.139
237 HB3 PRO 33 HB3 PRO 33 40.529 37.412 17.284
238 HG2 PRO 33 HG2 PRO 33 40.949 35.534 19.577
239 HG3 PRO 33 HG3 PRO 33 39.653 36.717 19.323
240 HD2 PRO 33 HD2 PRO 33 39.328 34.074 18.836
241 HD3 PRO 33 HD3 PRO 33 38.492 35.327 17.897
242 H GLN 34 H GLN 34 42.046 34.091 18.756
243 HA GLN 34 HA GLN 34 44.804 34.270 18.722
244 HB2 GLN 34 HB2 GLN 34 42.996 32.058 19.690
245 HB3 GLN 34 HB3 GLN 34 44.735 32.045 19.948
246 HG2 GLN 34 HG2 GLN 34 43.443 34.533 20.763
247 HG3 GLN 34 HG3 GLN 34 42.885 33.111 21.644
248 HE21 GLN 34 HE21 GLN 34 43.843 33.895 23.541
249 HE22 GLN 34 HE22 GLN 34 45.550 33.812 23.794
250 H HIS 35 H HIS 35 42.700 32.350 16.741
251 HA HIS 35 HA HIS 35 44.357 30.320 15.875
252 HB2 HIS 35 HB2 HIS 35 41.866 31.205 15.184
253 HB3 HIS 35 HB3 HIS 35 42.785 31.582 13.729
254 HD1 HIS 35 HD1 HIS 35 40.631 29.460 13.561
255 HD2 HIS 35 HD2 HIS 35 44.590 28.614 14.491
256 HE1 HIS 35 HE1 HIS 35 40.957 27.038 12.970
257 H ARG 36 H ARG 36 44.256 33.688 14.834
258 HA ARG 36 HA ARG 36 45.981 33.480 12.634
259 HB2 ARG 36 HB2 ARG 36 46.159 35.842 12.714
260 HB3 ARG 36 HB3 ARG 36 44.538 35.459 13.278
261 HG2 ARG 36 HG2 ARG 36 45.089 36.947 14.881
262 HG3 ARG 36 HG3 ARG 36 45.795 35.514 15.631
263 HD2 ARG 36 HD2 ARG 36 47.714 36.644 15.696
264 HD3 ARG 36 HD3 ARG 36 47.787 36.430 13.947
265 HE ARG 36 HE ARG 36 46.249 38.660 14.311
266 HH11 ARG 36 HH12 ARG 36 49.449 37.678 15.268
267 HH12 ARG 36 HH11 ARG 36 50.085 39.290 15.265
268 HH21 ARG 36 HH22 ARG 36 47.075 40.786 14.305
269 HH22 ARG 36 HH21 ARG 36 48.734 41.057 14.719
270 H ARG 37 H ARG 37 46.603 33.713 16.068
271 HA ARG 37 HA ARG 37 49.406 34.251 15.787
272 HB2 ARG 37 HB2 ARG 37 47.501 33.849 17.991
273 HB3 ARG 37 HB3 ARG 37 49.125 33.262 18.321
274 HG2 ARG 37 HG2 ARG 37 49.404 35.809 17.151
275 HG3 ARG 37 HG3 ARG 37 48.134 35.933 18.370
276 HD2 ARG 37 HD2 ARG 37 49.553 35.503 20.091
277 HD3 ARG 37 HD3 ARG 37 50.571 34.436 19.125
278 HE ARG 37 HE ARG 37 51.902 36.225 18.638
279 HH11 ARG 37 HH12 ARG 37 48.822 37.392 19.766
280 HH12 ARG 37 HH11 ARG 37 49.317 39.052 19.801
281 HH21 ARG 37 HH22 ARG 37 52.566 38.407 18.679
282 HH22 ARG 37 HH21 ARG 37 51.446 39.629 19.181
283 H LYS 38 H LYS 38 47.399 31.403 16.149
284 HA LYS 38 HA LYS 38 49.636 29.631 16.576
285 HB2 LYS 38 HB2 LYS 38 46.772 28.945 15.891
286 HB3 LYS 38 HB3 LYS 38 47.987 27.849 16.535
287 HG2 LYS 38 HG2 LYS 38 47.635 30.178 18.219
288 HG3 LYS 38 HG3 LYS 38 46.127 29.292 17.982
289 HD2 LYS 38 HD2 LYS 38 46.897 27.426 19.051
290 HD3 LYS 38 HD3 LYS 38 48.574 27.721 18.588
291 HE2 LYS 38 HE2 LYS 38 48.225 29.822 20.183
292 HE3 LYS 38 HE3 LYS 38 47.021 28.752 20.898
293 HZ1 LYS 38 HZ1 LYS 38 48.850 28.142 22.075
294 HZ2 LYS 38 HZ2 LYS 38 49.933 28.486 20.823
295 HZ3 LYS 38 HZ3 LYS 38 49.013 27.067 20.779
296 H LEU 39 H LEU 39 47.907 30.917 13.886
297 HA LEU 39 HA LEU 39 48.857 28.866 12.055
298 HB2 LEU 39 HB2 LEU 39 46.581 30.153 12.012
299 HB3 LEU 39 HB3 LEU 39 47.521 31.390 11.181
300 HG LEU 39 HG LEU 39 48.189 29.335 9.648
301 HD11 LEU 39 HD11 LEU 39 45.908 28.382 11.221
302 HD12 LEU 39 HD12 LEU 39 47.113 27.481 10.303
303 HD13 LEU 39 HD13 LEU 39 45.729 28.196 9.477
304 HD21 LEU 39 HD21 LEU 39 46.515 30.040 8.096
305 HD22 LEU 39 HD22 LEU 39 47.035 31.455 9.010
306 HD23 LEU 39 HD23 LEU 39 45.501 30.673 9.393
307 H LEU 40 H LEU 40 49.771 31.980 13.194
308 HA LEU 40 HA LEU 40 51.346 32.775 10.959
309 HB2 LEU 40 HB2 LEU 40 50.669 33.799 13.556
310 HB3 LEU 40 HB3 LEU 40 52.402 33.959 13.275
311 HG LEU 40 HG LEU 40 50.585 34.890 11.122
312 HD11 LEU 40 HD11 LEU 40 50.781 37.146 12.592
313 HD12 LEU 40 HD12 LEU 40 50.561 35.947 13.865
314 HD13 LEU 40 HD13 LEU 40 49.366 36.094 12.577
315 HD21 LEU 40 HD21 LEU 40 52.820 35.200 10.609
316 HD22 LEU 40 HD22 LEU 40 53.250 35.618 12.268
317 HD23 LEU 40 HD23 LEU 40 52.363 36.770 11.269
318 H GLN 41 H GLN 41 52.190 31.396 14.134
319 HA GLN 41 HA GLN 41 54.950 31.126 13.548
320 HB2 GLN 41 HB2 GLN 41 53.159 29.914 15.642
321 HB3 GLN 41 HB3 GLN 41 54.865 29.503 15.531
322 HG2 GLN 41 HG2 GLN 41 54.824 32.274 15.483
323 HG3 GLN 41 HG3 GLN 41 53.593 31.834 16.665
324 HE21 GLN 41 HE21 GLN 41 56.801 32.462 16.232
325 HE22 GLN 41 HE22 GLN 41 57.433 31.703 17.649
326 H ALA 42 H ALA 42 52.172 29.207 12.832
327 HA ALA 42 HA ALA 42 53.683 26.798 12.292
328 HB1 ALA 42 HB1 ALA 42 51.336 26.796 13.177
329 HB2 ALA 42 HB2 ALA 42 50.809 27.352 11.588
330 HB3 ALA 42 HB3 ALA 42 51.599 25.784 11.756
331 H ALA 43 H ALA 43 52.170 29.411 10.475
332 HA ALA 43 HA ALA 43 52.740 28.213 7.917
333 HB1 ALA 43 HB1 ALA 43 51.973 31.079 8.388
334 HB2 ALA 43 HB2 ALA 43 51.695 30.088 6.956
335 HB3 ALA 43 HB3 ALA 43 50.797 29.766 8.439
336 H ARG 44 H ARG 44 54.364 30.291 10.139
337 HA ARG 44 HA ARG 44 56.158 31.464 8.231
338 HB2 ARG 44 HB2 ARG 44 55.798 32.744 10.180
339 HB3 ARG 44 HB3 ARG 44 56.073 31.366 11.237
340 HG2 ARG 44 HG2 ARG 44 58.317 31.603 11.191
341 HG3 ARG 44 HG3 ARG 44 58.334 32.166 9.519
342 HD2 ARG 44 HD2 ARG 44 56.997 34.158 10.931
343 HD3 ARG 44 HD3 ARG 44 58.331 33.682 11.981
344 HE ARG 44 HE ARG 44 58.509 35.125 9.522
345 HH11 ARG 44 HH12 ARG 44 60.182 32.891 11.603
346 HH12 ARG 44 HH11 ARG 44 61.758 33.351 11.048
347 HH21 ARG 44 HH22 ARG 44 60.578 35.740 8.784
348 HH22 ARG 44 HH21 ARG 44 61.982 34.973 9.445
349 HN1 NH2 45 HN1 NH2 45 56.053 28.545 10.125
350 HN2 NH2 45 HN2 NH2 45 57.617 27.941 9.690
Start of MODEL 13
1 H1 ACE 1 H1 ACE 1 5.212 11.758 -1.356
2 H2 ACE 1 H2 ACE 1 5.262 10.252 -2.304
3 H3 ACE 1 H3 ACE 1 4.208 11.592 -2.816
4 H SER 2 H SER 2 4.860 9.689 0.100
5 HA SER 2 HA SER 2 1.968 9.620 0.623
6 HB2 SER 2 HB2 SER 2 3.868 7.267 0.639
7 HB3 SER 2 HB3 SER 2 2.258 7.224 1.358
8 HG SER 2 HG SER 2 1.491 6.905 -0.560
9 H LYS 3 H LYS 3 1.501 8.839 2.885
10 HA LYS 3 HA LYS 3 2.767 10.476 4.756
11 HB2 LYS 3 HB2 LYS 3 1.589 9.000 6.457
12 HB3 LYS 3 HB3 LYS 3 0.567 9.762 5.246
13 HG2 LYS 3 HG2 LYS 3 1.510 7.142 4.420
14 HG3 LYS 3 HG3 LYS 3 0.583 7.097 5.921
15 HD2 LYS 3 HD2 LYS 3 -0.392 8.577 3.494
16 HD3 LYS 3 HD3 LYS 3 -0.708 6.856 3.726
17 HE2 LYS 3 HE2 LYS 3 -1.419 8.979 5.743
18 HE3 LYS 3 HE3 LYS 3 -2.533 8.391 4.508
19 HZ1 LYS 3 HZ1 LYS 3 -1.763 7.184 6.987
20 HZ2 LYS 3 HZ2 LYS 3 -1.593 6.121 5.682
21 HZ3 LYS 3 HZ3 LYS 3 -3.089 6.848 5.990
22 H LEU 4 H LEU 4 3.447 7.200 3.757
23 HA LEU 4 HA LEU 4 5.116 6.482 5.928
24 HB2 LEU 4 HB2 LEU 4 5.722 4.600 4.667
25 HB3 LEU 4 HB3 LEU 4 4.050 4.945 4.229
26 HG LEU 4 HG LEU 4 5.297 6.267 2.258
27 HD11 LEU 4 HD11 LEU 4 7.029 4.017 1.958
28 HD12 LEU 4 HD12 LEU 4 7.386 4.830 3.481
29 HD13 LEU 4 HD13 LEU 4 7.427 5.735 1.968
30 HD21 LEU 4 HD21 LEU 4 4.682 4.493 0.841
31 HD22 LEU 4 HD22 LEU 4 3.562 4.411 2.201
32 HD23 LEU 4 HD23 LEU 4 4.920 3.289 2.108
33 H LEU 5 H LEU 5 5.668 8.195 2.926
34 HA LEU 5 HA LEU 5 8.490 8.074 2.928
35 HB2 LEU 5 HB2 LEU 5 7.329 8.666 0.926
36 HB3 LEU 5 HB3 LEU 5 6.560 10.041 1.716
37 HG LEU 5 HG LEU 5 9.417 10.316 1.836
38 HD11 LEU 5 HD11 LEU 5 10.040 10.346 -0.418
39 HD12 LEU 5 HD12 LEU 5 8.371 10.221 -0.975
40 HD13 LEU 5 HD13 LEU 5 9.157 8.831 -0.226
41 HD21 LEU 5 HD21 LEU 5 8.849 12.413 0.586
42 HD22 LEU 5 HD22 LEU 5 7.960 12.183 2.092
43 HD23 LEU 5 HD23 LEU 5 7.175 11.859 0.546
44 H LEU 6 H LEU 6 6.187 10.340 4.344
45 HA LEU 6 HA LEU 6 8.051 12.286 5.164
46 HB2 LEU 6 HB2 LEU 6 5.244 11.636 5.705
47 HB3 LEU 6 HB3 LEU 6 6.068 12.463 7.025
48 HG LEU 6 HG LEU 6 4.825 13.978 5.504
49 HD11 LEU 6 HD11 LEU 6 6.574 14.937 6.785
50 HD12 LEU 6 HD12 LEU 6 6.747 15.557 5.144
51 HD13 LEU 6 HD13 LEU 6 7.812 14.274 5.718
52 HD21 LEU 6 HD21 LEU 6 5.793 12.441 3.491
53 HD22 LEU 6 HD22 LEU 6 6.892 13.818 3.423
54 HD23 LEU 6 HD23 LEU 6 5.152 14.071 3.283
55 H ASN 7 H ASN 7 7.037 9.252 6.556
56 HA ASN 7 HA ASN 7 8.134 9.723 9.151
57 HB2 ASN 7 HB2 ASN 7 7.506 7.077 7.822
58 HB3 ASN 7 HB3 ASN 7 7.722 7.359 9.547
59 HD21 ASN 7 HD21 ASN 7 5.455 6.172 8.490
60 HD22 ASN 7 HD22 ASN 7 4.107 7.225 8.731
61 H GLY 8 H GLY 8 9.383 8.587 6.117
62 HA2 GLY 8 HA2 GLY 8 11.785 7.465 7.295
63 HA3 GLY 8 HA3 GLY 8 11.417 7.580 5.581
64 H PHE 9 H PHE 9 10.864 10.375 5.522
65 HA PHE 9 HA PHE 9 13.529 11.356 5.258
66 HB2 PHE 9 HB2 PHE 9 11.044 12.040 4.214
67 HB3 PHE 9 HB3 PHE 9 11.472 13.415 5.227
68 HD1 PHE 9 HD1 PHE 9 12.918 11.204 2.602
69 HD2 PHE 9 HD2 PHE 9 12.800 15.081 4.354
70 HE1 PHE 9 HE1 PHE 9 14.391 12.050 0.822
71 HE2 PHE 9 HE2 PHE 9 14.272 15.933 2.577
72 HZ PHE 9 HZ PHE 9 15.069 14.418 0.807
73 H ASP 10 H ASP 10 11.178 11.404 7.768
74 HA ASP 10 HA ASP 10 11.865 13.711 9.169
75 HB2 ASP 10 HB2 ASP 10 9.918 12.430 9.795
76 HB3 ASP 10 HB3 ASP 10 10.911 11.030 10.190
77 H ASP 11 H ASP 11 13.356 10.517 9.167
78 HA ASP 11 HA ASP 11 15.218 11.168 11.259
79 HB2 ASP 11 HB2 ASP 11 14.412 8.812 9.825
80 HB3 ASP 11 HB3 ASP 11 16.168 8.947 9.791
81 H VAL 12 H VAL 12 14.990 12.121 8.116
82 HA VAL 12 HA VAL 12 17.908 12.267 7.748
83 HB VAL 12 HB VAL 12 15.706 12.578 5.702
84 HG11 VAL 12 HG11 VAL 12 17.687 12.466 4.103
85 HG12 VAL 12 HG12 VAL 12 17.453 13.977 4.985
86 HG13 VAL 12 HG13 VAL 12 18.693 12.834 5.504
87 HG21 VAL 12 HG21 VAL 12 17.326 10.305 6.627
88 HG22 VAL 12 HG22 VAL 12 15.753 10.329 5.831
89 HG23 VAL 12 HG23 VAL 12 17.226 10.494 4.876
90 H HIS 13 H HIS 13 15.008 14.122 8.150
91 HA HIS 13 HA HIS 13 16.164 16.620 7.310
92 HB2 HIS 13 HB2 HIS 13 13.556 15.652 7.934
93 HB3 HIS 13 HB3 HIS 13 13.880 17.044 8.962
94 HD1 HIS 13 HD1 HIS 13 13.108 19.143 7.936
95 HD2 HIS 13 HD2 HIS 13 14.352 16.405 5.069
96 HE1 HIS 13 HE1 HIS 13 12.751 20.280 5.722
97 H PHE 14 H PHE 14 16.300 14.728 10.110
98 HA PHE 14 HA PHE 14 16.770 16.979 11.897
99 HB2 PHE 14 HB2 PHE 14 16.389 15.544 13.622
100 HB3 PHE 14 HB3 PHE 14 15.598 14.600 12.364
101 HD1 PHE 14 HD2 PHE 14 18.544 14.886 14.509
102 HD2 PHE 14 HD1 PHE 14 16.596 12.579 11.509
103 HE1 PHE 14 HE2 PHE 14 20.065 13.009 14.970
104 HE2 PHE 14 HE1 PHE 14 18.113 10.697 11.966
105 HZ PHE 14 HZ PHE 14 19.852 10.911 13.697
106 H LEU 15 H LEU 15 18.522 14.613 10.074
107 HA LEU 15 HA LEU 15 20.986 14.846 11.505
108 HB2 LEU 15 HB2 LEU 15 20.778 12.858 10.329
109 HB3 LEU 15 HB3 LEU 15 20.155 13.661 8.889
110 HG LEU 15 HG LEU 15 22.366 14.474 8.341
111 HD11 LEU 15 HD11 LEU 15 24.313 13.936 9.648
112 HD12 LEU 15 HD12 LEU 15 23.335 13.031 10.803
113 HD13 LEU 15 HD13 LEU 15 23.147 14.779 10.667
114 HD21 LEU 15 HD21 LEU 15 22.426 12.523 7.261
115 HD22 LEU 15 HD22 LEU 15 21.717 11.652 8.622
116 HD23 LEU 15 HD23 LEU 15 23.455 11.954 8.576
117 H GLY 16 H GLY 16 19.904 16.048 8.322
118 HA2 GLY 16 HA2 GLY 16 22.140 17.512 7.627
119 HA3 GLY 16 HA3 GLY 16 20.501 17.932 7.152
120 H SER 17 H SER 17 19.428 18.525 9.670
121 HA SER 17 HA SER 17 20.310 21.202 9.979
122 HB2 SER 17 HB2 SER 17 18.454 19.516 11.672
123 HB3 SER 17 HB3 SER 17 18.704 21.246 11.899
124 HG SER 17 HG SER 17 17.648 19.949 9.607
125 H ASN 18 H ASN 18 20.912 18.227 11.743
126 HA ASN 18 HA ASN 18 22.151 19.416 13.999
127 HB2 ASN 18 HB2 ASN 18 21.323 16.888 13.372
128 HB3 ASN 18 HB3 ASN 18 23.072 16.721 13.250
129 HD21 ASN 18 HD21 ASN 18 20.788 15.996 15.237
130 HD22 ASN 18 HD22 ASN 18 21.496 16.364 16.769
131 H VAL 19 H VAL 19 23.502 17.846 11.101
132 HA VAL 19 HA VAL 19 26.191 18.148 11.635
133 HB VAL 19 HB VAL 19 24.930 18.471 8.910
134 HG11 VAL 19 HG11 VAL 19 27.676 17.577 9.777
135 HG12 VAL 19 HG12 VAL 19 27.067 17.510 8.122
136 HG13 VAL 19 HG13 VAL 19 27.269 19.067 8.926
137 HG21 VAL 19 HG21 VAL 19 25.094 16.176 10.698
138 HG22 VAL 19 HG22 VAL 19 24.124 16.411 9.244
139 HG23 VAL 19 HG23 VAL 19 25.797 15.870 9.110
140 H MET 20 H MET 20 23.873 20.544 10.615
141 HA MET 20 HA MET 20 25.792 22.512 9.834
142 HB2 MET 20 HB2 MET 20 23.507 22.548 8.961
143 HB3 MET 20 HB3 MET 20 22.878 22.803 10.583
144 HG2 MET 20 HG2 MET 20 24.325 24.919 10.595
145 HG3 MET 20 HG3 MET 20 24.419 24.691 8.850
146 HE1 MET 20 HE1 MET 20 22.391 27.650 9.179
147 HE2 MET 20 HE2 MET 20 23.760 26.781 8.483
148 HE3 MET 20 HE3 MET 20 22.197 26.765 7.665
149 H GLU 21 H GLU 21 23.948 21.844 12.775
150 HA GLU 21 HA GLU 21 24.686 24.148 14.205
151 HB2 GLU 21 HB2 GLU 21 22.853 22.799 14.976
152 HB3 GLU 21 HB3 GLU 21 23.894 21.392 15.149
153 HG2 GLU 21 HG2 GLU 21 23.463 22.274 17.316
154 HG3 GLU 21 HG3 GLU 21 25.146 22.605 16.914
155 H GLU 22 H GLU 22 26.200 20.965 13.932
156 HA GLU 22 HA GLU 22 28.238 21.455 15.849
157 HB2 GLU 22 HB2 GLU 22 28.416 19.517 13.547
158 HB3 GLU 22 HB3 GLU 22 29.223 19.419 15.106
159 HG2 GLU 22 HG2 GLU 22 26.352 18.910 14.441
160 HG3 GLU 22 HG3 GLU 22 27.512 17.853 15.243
161 H GLN 23 H GLN 23 27.982 21.938 12.378
162 HA GLN 23 HA GLN 23 30.744 22.600 12.016
163 HB2 GLN 23 HB2 GLN 23 28.504 22.108 10.350
164 HB3 GLN 23 HB3 GLN 23 29.102 23.713 9.952
165 HG2 GLN 23 HG2 GLN 23 31.408 22.615 9.816
166 HG3 GLN 23 HG3 GLN 23 30.529 21.087 9.783
167 HE21 GLN 23 HE21 GLN 23 28.779 20.964 8.117
168 HE22 GLN 23 HE22 GLN 23 29.113 21.653 6.569
169 H ASP 24 H ASP 24 27.814 24.365 12.726
170 HA ASP 24 HA ASP 24 28.969 26.953 12.231
171 HB2 ASP 24 HB2 ASP 24 26.437 26.160 12.235
172 HB3 ASP 24 HB3 ASP 24 26.540 26.619 13.933
173 H LEU 25 H LEU 25 28.761 24.760 14.897
174 HA LEU 25 HA LEU 25 29.393 26.764 16.887
175 HB2 LEU 25 HB2 LEU 25 28.580 23.968 16.854
176 HB3 LEU 25 HB3 LEU 25 29.837 24.300 18.044
177 HG LEU 25 HG LEU 25 27.507 24.404 18.929
178 HD11 LEU 25 HD11 LEU 25 28.194 25.866 20.474
179 HD12 LEU 25 HD12 LEU 25 28.415 27.157 19.294
180 HD13 LEU 25 HD13 LEU 25 29.678 25.948 19.525
181 HD21 LEU 25 HD21 LEU 25 25.945 25.875 18.190
182 HD22 LEU 25 HD22 LEU 25 26.829 25.657 16.679
183 HD23 LEU 25 HD23 LEU 25 27.142 27.069 17.689
184 H ARG 26 H ARG 26 31.079 24.591 14.808
185 HA ARG 26 HA ARG 26 33.551 24.793 16.344
186 HB2 ARG 26 HB2 ARG 26 34.435 23.125 14.927
187 HB3 ARG 26 HB3 ARG 26 32.768 22.649 15.220
188 HG2 ARG 26 HG2 ARG 26 32.131 23.593 13.046
189 HG3 ARG 26 HG3 ARG 26 33.818 24.018 12.753
190 HD2 ARG 26 HD2 ARG 26 33.422 21.975 11.616
191 HD3 ARG 26 HD3 ARG 26 34.370 21.582 13.050
192 HE ARG 26 HE ARG 26 31.641 21.320 13.656
193 HH11 ARG 26 HH12 ARG 26 34.122 19.794 11.749
194 HH12 ARG 26 HH11 ARG 26 33.399 18.221 11.830
195 HH21 ARG 26 HH22 ARG 26 30.680 19.255 13.770
196 HH22 ARG 26 HH21 ARG 26 31.441 17.916 12.979
197 H ASP 27 H ASP 27 32.076 25.993 13.409
198 HA ASP 27 HA ASP 27 34.260 26.974 12.034
199 HB2 ASP 27 HB2 ASP 27 32.157 27.115 10.966
200 HB3 ASP 27 HB3 ASP 27 31.445 28.012 12.305
201 H ILE 28 H ILE 28 32.355 28.652 14.531
202 HA ILE 28 HA ILE 28 33.759 31.044 14.578
203 HB ILE 28 HB ILE 28 32.503 29.645 16.943
204 HG12 ILE 28 HG12 ILE 28 31.309 31.685 15.053
205 HG13 ILE 28 HG13 ILE 28 30.981 29.956 14.994
206 HG21 ILE 28 HG21 ILE 28 33.852 31.388 17.779
207 HG22 ILE 28 HG22 ILE 28 33.376 32.483 16.482
208 HG23 ILE 28 HG23 ILE 28 32.213 32.038 17.731
209 HD11 ILE 28 HD11 ILE 28 29.218 30.498 16.256
210 HD12 ILE 28 HD12 ILE 28 30.388 30.505 17.575
211 HD13 ILE 28 HD13 ILE 28 29.936 32.018 16.790
212 H GLY 29 H GLY 29 34.646 27.924 15.812
213 HA2 GLY 29 HA2 GLY 29 36.758 28.954 17.508
214 HA3 GLY 29 HA3 GLY 29 36.399 27.262 17.195
215 H ILE 30 H ILE 30 36.431 27.776 14.252
216 HA ILE 30 HA ILE 30 39.318 27.517 13.932
217 HB ILE 30 HB ILE 30 37.167 27.126 11.850
218 HG12 ILE 30 HG12 ILE 30 38.557 25.036 13.540
219 HG13 ILE 30 HG13 ILE 30 36.913 25.605 13.809
220 HG21 ILE 30 HG21 ILE 30 38.973 25.737 10.779
221 HG22 ILE 30 HG22 ILE 30 39.265 27.475 10.802
222 HG23 ILE 30 HG23 ILE 30 40.091 26.427 11.955
223 HD11 ILE 30 HD11 ILE 30 36.368 23.827 12.565
224 HD12 ILE 30 HD12 ILE 30 36.778 24.881 11.211
225 HD13 ILE 30 HD13 ILE 30 37.964 23.727 11.821
226 H SER 31 H SER 31 36.902 29.862 13.562
227 HA SER 31 HA SER 31 38.547 31.401 11.668
228 HB2 SER 31 HB2 SER 31 35.713 30.981 11.877
229 HB3 SER 31 HB3 SER 31 36.063 32.698 12.071
230 HG SER 31 HG SER 31 36.989 32.744 10.088
231 H ASP 32 H ASP 32 38.109 31.061 14.876
232 HA ASP 32 HA ASP 32 37.645 33.544 15.969
233 HB2 ASP 32 HB2 ASP 32 39.023 31.101 16.807
234 HB3 ASP 32 HB3 ASP 32 39.660 32.554 17.572
235 HA PRO 33 HA PRO 33 40.956 36.200 14.862
236 HB2 PRO 33 HB2 PRO 33 41.243 37.679 17.121
237 HB3 PRO 33 HB3 PRO 33 39.867 37.855 16.026
238 HG2 PRO 33 HG2 PRO 33 40.053 36.346 18.604
239 HG3 PRO 33 HG3 PRO 33 38.748 37.389 18.010
240 HD2 PRO 33 HD2 PRO 33 38.629 34.687 17.877
241 HD3 PRO 33 HD3 PRO 33 37.872 35.736 16.662
242 H GLN 34 H GLN 34 41.328 34.888 18.158
243 HA GLN 34 HA GLN 34 44.050 35.253 18.463
244 HB2 GLN 34 HB2 GLN 34 42.231 33.084 19.501
245 HB3 GLN 34 HB3 GLN 34 43.919 33.214 19.979
246 HG2 GLN 34 HG2 GLN 34 43.466 35.493 20.817
247 HG3 GLN 34 HG3 GLN 34 41.762 35.264 20.425
248 HE21 GLN 34 HE21 GLN 34 41.226 35.576 22.610
249 HE22 GLN 34 HE22 GLN 34 41.476 34.334 23.784
250 H HIS 35 H HIS 35 42.346 32.926 16.533
251 HA HIS 35 HA HIS 35 44.210 30.920 16.201
252 HB2 HIS 35 HB2 HIS 35 41.799 31.539 15.055
253 HB3 HIS 35 HB3 HIS 35 42.905 31.738 13.698
254 HD1 HIS 35 HD1 HIS 35 40.859 29.484 13.631
255 HD2 HIS 35 HD2 HIS 35 44.709 29.046 15.131
256 HE1 HIS 35 HE1 HIS 35 41.362 27.024 13.483
257 H ARG 36 H ARG 36 44.031 34.051 14.560
258 HA ARG 36 HA ARG 36 46.148 33.614 12.755
259 HB2 ARG 36 HB2 ARG 36 44.645 35.961 13.762
260 HB3 ARG 36 HB3 ARG 36 46.230 36.289 13.075
261 HG2 ARG 36 HG2 ARG 36 44.816 34.507 11.351
262 HG3 ARG 36 HG3 ARG 36 43.795 35.898 11.725
263 HD2 ARG 36 HD2 ARG 36 45.123 37.337 10.604
264 HD3 ARG 36 HD3 ARG 36 46.603 36.520 11.103
265 HE ARG 36 HE ARG 36 45.225 34.904 9.261
266 HH11 ARG 36 HH12 ARG 36 47.027 37.878 9.412
267 HH12 ARG 36 HH11 ARG 36 47.575 37.782 7.772
268 HH21 ARG 36 HH22 ARG 36 45.940 34.765 7.099
269 HH22 ARG 36 HH21 ARG 36 46.956 36.011 6.457
270 H ARG 37 H ARG 37 46.059 34.755 16.076
271 HA ARG 37 HA ARG 37 48.802 35.563 16.149
272 HB2 ARG 37 HB2 ARG 37 46.652 35.169 18.200
273 HB3 ARG 37 HB3 ARG 37 48.320 35.381 18.714
274 HG2 ARG 37 HG2 ARG 37 48.009 37.434 16.943
275 HG3 ARG 37 HG3 ARG 37 46.410 37.329 17.682
276 HD2 ARG 37 HD2 ARG 37 48.083 37.090 19.840
277 HD3 ARG 37 HD3 ARG 37 48.949 38.229 18.811
278 HE ARG 37 HE ARG 37 47.361 39.801 19.288
279 HH11 ARG 37 HH12 ARG 37 46.114 36.653 20.099
280 HH12 ARG 37 HH11 ARG 37 44.678 37.271 20.846
281 HH21 ARG 37 HH22 ARG 37 45.475 40.626 20.269
282 HH22 ARG 37 HH21 ARG 37 44.315 39.531 20.942
283 H LYS 38 H LYS 38 47.043 32.617 16.829
284 HA LYS 38 HA LYS 38 49.311 31.313 18.054
285 HB2 LYS 38 HB2 LYS 38 46.573 30.907 18.115
286 HB3 LYS 38 HB3 LYS 38 47.158 29.569 17.135
287 HG2 LYS 38 HG2 LYS 38 47.656 28.501 19.007
288 HG3 LYS 38 HG3 LYS 38 48.902 29.713 19.313
289 HD2 LYS 38 HD2 LYS 38 46.023 30.095 20.105
290 HD3 LYS 38 HD3 LYS 38 47.215 29.342 21.168
291 HE2 LYS 38 HE2 LYS 38 47.697 32.031 19.926
292 HE3 LYS 38 HE3 LYS 38 46.775 31.862 21.420
293 HZ1 LYS 38 HZ1 LYS 38 49.240 32.293 21.644
294 HZ2 LYS 38 HZ2 LYS 38 49.482 30.709 21.105
295 HZ3 LYS 38 HZ3 LYS 38 48.624 30.994 22.536
296 H LEU 39 H LEU 39 48.022 31.720 14.888
297 HA LEU 39 HA LEU 39 49.469 29.447 13.794
298 HB2 LEU 39 HB2 LEU 39 47.153 30.354 13.053
299 HB3 LEU 39 HB3 LEU 39 48.096 31.544 12.158
300 HG LEU 39 HG LEU 39 49.261 29.223 11.347
301 HD11 LEU 39 HD11 LEU 39 47.269 27.782 10.713
302 HD12 LEU 39 HD12 LEU 39 46.373 28.660 11.953
303 HD13 LEU 39 HD13 LEU 39 47.795 27.715 12.396
304 HD21 LEU 39 HD21 LEU 39 48.773 30.673 9.662
305 HD22 LEU 39 HD22 LEU 39 47.151 31.011 10.268
306 HD23 LEU 39 HD23 LEU 39 47.476 29.506 9.407
307 H LEU 40 H LEU 40 49.890 32.830 14.271
308 HA LEU 40 HA LEU 40 51.820 33.262 12.212
309 HB2 LEU 40 HB2 LEU 40 50.499 35.076 13.206
310 HB3 LEU 40 HB3 LEU 40 51.311 34.813 14.748
311 HG LEU 40 HG LEU 40 53.459 35.443 13.634
312 HD11 LEU 40 HD11 LEU 40 52.937 36.904 11.507
313 HD12 LEU 40 HD12 LEU 40 51.598 35.769 11.338
314 HD13 LEU 40 HD13 LEU 40 53.257 35.175 11.375
315 HD21 LEU 40 HD21 LEU 40 52.210 37.035 14.992
316 HD22 LEU 40 HD22 LEU 40 51.256 37.504 13.584
317 HD23 LEU 40 HD23 LEU 40 52.987 37.842 13.630
318 H GLN 41 H GLN 41 52.043 32.713 15.718
319 HA GLN 41 HA GLN 41 54.883 32.754 15.787
320 HB2 GLN 41 HB2 GLN 41 52.833 32.703 17.668
321 HB3 GLN 41 HB3 GLN 41 53.661 31.168 17.895
322 HG2 GLN 41 HG2 GLN 41 54.947 33.888 17.948
323 HG3 GLN 41 HG3 GLN 41 54.559 32.895 19.352
324 HE21 GLN 41 HE21 GLN 41 55.651 30.839 19.550
325 HE22 GLN 41 HE22 GLN 41 57.243 30.656 18.905
326 H ALA 42 H ALA 42 52.539 30.337 15.013
327 HA ALA 42 HA ALA 42 54.382 28.126 15.350
328 HB1 ALA 42 HB1 ALA 42 51.918 27.948 15.782
329 HB2 ALA 42 HB2 ALA 42 51.672 28.069 14.039
330 HB3 ALA 42 HB3 ALA 42 52.579 26.713 14.710
331 H ALA 43 H ALA 43 53.186 30.177 12.790
332 HA ALA 43 HA ALA 43 54.288 28.522 10.686
333 HB1 ALA 43 HB1 ALA 43 53.567 30.401 9.209
334 HB2 ALA 43 HB2 ALA 43 52.271 29.698 10.177
335 HB3 ALA 43 HB3 ALA 43 52.987 31.239 10.648
336 H ARG 44 H ARG 44 55.302 31.159 12.668
337 HA ARG 44 HA ARG 44 57.310 32.215 10.965
338 HB2 ARG 44 HB2 ARG 44 56.682 32.410 13.882
339 HB3 ARG 44 HB3 ARG 44 58.246 32.974 13.308
340 HG2 ARG 44 HG2 ARG 44 56.350 34.069 11.561
341 HG3 ARG 44 HG3 ARG 44 55.690 34.262 13.186
342 HD2 ARG 44 HD2 ARG 44 57.361 35.663 13.848
343 HD3 ARG 44 HD3 ARG 44 58.553 34.918 12.784
344 HE ARG 44 HE ARG 44 56.561 36.292 11.297
345 HH11 ARG 44 HH12 ARG 44 59.413 36.787 13.231
346 HH12 ARG 44 HH11 ARG 44 59.841 38.275 12.453
347 HH21 ARG 44 HH22 ARG 44 57.114 38.250 10.265
348 HH22 ARG 44 HH21 ARG 44 58.532 39.107 10.767
349 HN1 NH2 45 HN1 NH2 45 57.230 29.616 13.348
350 HN2 NH2 45 HN2 NH2 45 58.844 29.047 13.081
Start of MODEL 14
1 H1 ACE 1 H1 ACE 1 11.332 4.852 -4.880
2 H2 ACE 1 H2 ACE 1 12.044 5.912 -3.639
3 H3 ACE 1 H3 ACE 1 12.735 4.298 -3.935
4 H SER 2 H SER 2 9.924 6.043 -2.781
5 HA SER 2 HA SER 2 8.682 3.703 -1.660
6 HB2 SER 2 HB2 SER 2 10.638 5.095 -0.108
7 HB3 SER 2 HB3 SER 2 9.053 5.375 0.613
8 HG SER 2 HG SER 2 8.805 2.999 0.388
9 H LYS 3 H LYS 3 6.847 4.455 -0.103
10 HA LYS 3 HA LYS 3 5.508 6.711 -1.424
11 HB2 LYS 3 HB2 LYS 3 4.632 4.105 -0.455
12 HB3 LYS 3 HB3 LYS 3 3.610 5.413 0.127
13 HG2 LYS 3 HG2 LYS 3 4.296 4.915 -2.762
14 HG3 LYS 3 HG3 LYS 3 2.799 4.418 -1.970
15 HD2 LYS 3 HD2 LYS 3 2.957 7.082 -1.334
16 HD3 LYS 3 HD3 LYS 3 3.616 7.040 -2.971
17 HE2 LYS 3 HE2 LYS 3 1.647 6.166 -3.867
18 HE3 LYS 3 HE3 LYS 3 1.064 5.621 -2.295
19 HZ1 LYS 3 HZ1 LYS 3 1.096 8.355 -3.403
20 HZ2 LYS 3 HZ2 LYS 3 1.022 8.104 -1.732
21 HZ3 LYS 3 HZ3 LYS 3 -0.199 7.496 -2.734
22 H LEU 4 H LEU 4 6.421 5.415 1.710
23 HA LEU 4 HA LEU 4 5.271 7.739 3.063
24 HB2 LEU 4 HB2 LEU 4 5.217 5.185 3.800
25 HB3 LEU 4 HB3 LEU 4 6.749 5.635 4.546
26 HG LEU 4 HG LEU 4 5.423 7.536 5.653
27 HD11 LEU 4 HD11 LEU 4 3.358 6.300 4.118
28 HD12 LEU 4 HD12 LEU 4 3.277 7.734 5.141
29 HD13 LEU 4 HD13 LEU 4 2.984 6.139 5.835
30 HD21 LEU 4 HD21 LEU 4 4.545 4.841 6.597
31 HD22 LEU 4 HD22 LEU 4 5.102 6.231 7.529
32 HD23 LEU 4 HD23 LEU 4 6.257 5.264 6.611
33 H LEU 5 H LEU 5 7.539 8.091 1.333
34 HA LEU 5 HA LEU 5 9.985 8.199 2.686
35 HB2 LEU 5 HB2 LEU 5 9.366 8.566 0.177
36 HB3 LEU 5 HB3 LEU 5 9.243 10.258 0.653
37 HG LEU 5 HG LEU 5 11.738 8.925 1.453
38 HD11 LEU 5 HD11 LEU 5 11.640 9.694 -1.405
39 HD12 LEU 5 HD12 LEU 5 10.959 8.129 -0.962
40 HD13 LEU 5 HD13 LEU 5 12.641 8.497 -0.583
41 HD21 LEU 5 HD21 LEU 5 11.482 11.269 1.814
42 HD22 LEU 5 HD22 LEU 5 10.994 11.532 0.140
43 HD23 LEU 5 HD23 LEU 5 12.652 11.054 0.512
44 H LEU 6 H LEU 6 7.207 10.265 2.825
45 HA LEU 6 HA LEU 6 8.413 12.603 3.824
46 HB2 LEU 6 HB2 LEU 6 6.194 13.213 4.595
47 HB3 LEU 6 HB3 LEU 6 6.137 12.553 2.962
48 HG LEU 6 HG LEU 6 5.647 10.361 4.587
49 HD11 LEU 6 HD11 LEU 6 5.234 12.504 6.231
50 HD12 LEU 6 HD12 LEU 6 4.476 10.921 6.405
51 HD13 LEU 6 HD13 LEU 6 3.623 12.220 5.572
52 HD21 LEU 6 HD21 LEU 6 4.063 12.151 2.826
53 HD22 LEU 6 HD22 LEU 6 3.190 10.987 3.822
54 HD23 LEU 6 HD23 LEU 6 4.409 10.428 2.675
55 H ASN 7 H ASN 7 7.554 9.587 5.325
56 HA ASN 7 HA ASN 7 7.790 10.601 8.019
57 HB2 ASN 7 HB2 ASN 7 6.290 8.669 7.279
58 HB3 ASN 7 HB3 ASN 7 7.758 7.699 7.197
59 HD21 ASN 7 HD21 ASN 7 6.725 6.378 8.807
60 HD22 ASN 7 HD22 ASN 7 6.806 6.837 10.471
61 H GLY 8 H GLY 8 9.830 9.071 5.650
62 HA2 GLY 8 HA2 GLY 8 11.903 8.431 7.580
63 HA3 GLY 8 HA3 GLY 8 11.975 8.171 5.844
64 H PHE 9 H PHE 9 11.178 10.962 5.285
65 HA PHE 9 HA PHE 9 13.811 12.085 5.280
66 HB2 PHE 9 HB2 PHE 9 11.801 12.345 3.571
67 HB3 PHE 9 HB3 PHE 9 11.413 13.726 4.593
68 HD1 PHE 9 HD1 PHE 9 14.496 12.242 3.093
69 HD2 PHE 9 HD2 PHE 9 12.166 15.732 3.801
70 HE1 PHE 9 HE1 PHE 9 16.161 13.594 1.887
71 HE2 PHE 9 HE2 PHE 9 13.826 17.090 2.596
72 HZ PHE 9 HZ PHE 9 15.827 16.021 1.636
73 H ASP 10 H ASP 10 10.993 12.387 7.269
74 HA ASP 10 HA ASP 10 11.305 14.880 8.413
75 HB2 ASP 10 HB2 ASP 10 9.775 12.585 8.933
76 HB3 ASP 10 HB3 ASP 10 10.614 12.939 10.440
77 H ASP 11 H ASP 11 12.773 11.816 9.473
78 HA ASP 11 HA ASP 11 14.217 12.855 11.634
79 HB2 ASP 11 HB2 ASP 11 13.843 10.360 10.568
80 HB3 ASP 11 HB3 ASP 11 15.536 10.663 10.184
81 H VAL 12 H VAL 12 14.807 12.973 8.224
82 HA VAL 12 HA VAL 12 17.596 13.677 8.480
83 HB VAL 12 HB VAL 12 15.800 13.864 6.058
84 HG11 VAL 12 HG11 VAL 12 18.164 13.592 4.968
85 HG12 VAL 12 HG12 VAL 12 17.605 15.179 5.501
86 HG13 VAL 12 HG13 VAL 12 18.724 14.254 6.503
87 HG21 VAL 12 HG21 VAL 12 17.594 11.653 7.043
88 HG22 VAL 12 HG22 VAL 12 15.854 11.586 6.760
89 HG23 VAL 12 HG23 VAL 12 16.963 11.740 5.398
90 H HIS 13 H HIS 13 14.542 15.337 7.865
91 HA HIS 13 HA HIS 13 15.506 17.855 7.191
92 HB2 HIS 13 HB2 HIS 13 12.992 16.706 7.931
93 HB3 HIS 13 HB3 HIS 13 13.199 18.222 8.804
94 HD1 HIS 13 HD1 HIS 13 12.221 20.117 7.577
95 HD2 HIS 13 HD2 HIS 13 13.726 17.233 4.992
96 HE1 HIS 13 HE1 HIS 13 11.761 20.984 5.262
97 H PHE 14 H PHE 14 15.438 16.239 10.250
98 HA PHE 14 HA PHE 14 15.887 18.655 11.781
99 HB2 PHE 14 HB2 PHE 14 14.585 16.798 12.744
100 HB3 PHE 14 HB3 PHE 14 15.998 15.753 12.632
101 HD1 PHE 14 HD2 PHE 14 15.433 19.229 13.873
102 HD2 PHE 14 HD1 PHE 14 16.867 15.308 14.702
103 HE1 PHE 14 HE2 PHE 14 16.150 19.967 16.108
104 HE2 PHE 14 HE1 PHE 14 17.585 16.040 16.938
105 HZ PHE 14 HZ PHE 14 17.228 18.372 17.643
106 H LEU 15 H LEU 15 17.745 15.906 10.601
107 HA LEU 15 HA LEU 15 20.114 16.235 11.975
108 HB2 LEU 15 HB2 LEU 15 19.232 14.887 9.611
109 HB3 LEU 15 HB3 LEU 15 20.808 15.619 9.311
110 HG LEU 15 HG LEU 15 20.991 13.287 10.041
111 HD11 LEU 15 HD11 LEU 15 22.712 15.042 10.595
112 HD12 LEU 15 HD12 LEU 15 22.722 13.607 11.619
113 HD13 LEU 15 HD13 LEU 15 22.006 15.106 12.210
114 HD21 LEU 15 HD21 LEU 15 18.953 13.982 11.815
115 HD22 LEU 15 HD22 LEU 15 20.369 13.695 12.826
116 HD23 LEU 15 HD23 LEU 15 19.806 12.441 11.720
117 H GLY 16 H GLY 16 18.986 17.930 9.080
118 HA2 GLY 16 HA2 GLY 16 21.273 19.308 8.372
119 HA3 GLY 16 HA3 GLY 16 19.643 19.932 8.166
120 H SER 17 H SER 17 18.664 20.772 10.308
121 HA SER 17 HA SER 17 20.047 23.022 11.109
122 HB2 SER 17 HB2 SER 17 17.641 21.605 11.982
123 HB3 SER 17 HB3 SER 17 18.435 22.483 13.288
124 HG SER 17 HG SER 17 17.708 23.584 10.774
125 H ASN 18 H ASN 18 20.143 19.780 12.427
126 HA ASN 18 HA ASN 18 21.471 20.391 14.846
127 HB2 ASN 18 HB2 ASN 18 20.447 18.095 13.628
128 HB3 ASN 18 HB3 ASN 18 22.173 17.782 13.784
129 HD21 ASN 18 HD21 ASN 18 19.668 16.797 15.179
130 HD22 ASN 18 HD22 ASN 18 20.045 16.943 16.859
131 H VAL 19 H VAL 19 22.721 19.158 11.744
132 HA VAL 19 HA VAL 19 25.407 19.045 12.346
133 HB VAL 19 HB VAL 19 24.272 19.969 9.704
134 HG11 VAL 19 HG11 VAL 19 26.893 18.704 10.479
135 HG12 VAL 19 HG12 VAL 19 26.323 18.836 8.814
136 HG13 VAL 19 HG13 VAL 19 26.634 20.292 9.759
137 HG21 VAL 19 HG21 VAL 19 23.324 17.971 9.511
138 HG22 VAL 19 HG22 VAL 19 24.921 17.232 9.624
139 HG23 VAL 19 HG23 VAL 19 23.958 17.478 11.081
140 H MET 20 H MET 20 23.427 21.846 11.691
141 HA MET 20 HA MET 20 25.639 23.648 11.358
142 HB2 MET 20 HB2 MET 20 23.472 24.090 10.296
143 HB3 MET 20 HB3 MET 20 22.714 24.209 11.879
144 HG2 MET 20 HG2 MET 20 24.466 26.079 12.287
145 HG3 MET 20 HG3 MET 20 24.579 26.102 10.529
146 HE1 MET 20 HE1 MET 20 21.871 28.091 9.321
147 HE2 MET 20 HE2 MET 20 23.289 27.076 9.063
148 HE3 MET 20 HE3 MET 20 21.682 26.351 9.105
149 H GLU 21 H GLU 21 23.514 22.675 13.987
150 HA GLU 21 HA GLU 21 24.399 24.673 15.818
151 HB2 GLU 21 HB2 GLU 21 22.266 23.710 16.226
152 HB3 GLU 21 HB3 GLU 21 22.911 22.076 16.163
153 HG2 GLU 21 HG2 GLU 21 23.544 22.105 18.308
154 HG3 GLU 21 HG3 GLU 21 24.107 23.773 18.227
155 H GLU 22 H GLU 22 25.581 21.571 14.839
156 HA GLU 22 HA GLU 22 27.293 21.233 17.143
157 HB2 GLU 22 HB2 GLU 22 27.518 19.703 14.563
158 HB3 GLU 22 HB3 GLU 22 27.953 19.183 16.185
159 HG2 GLU 22 HG2 GLU 22 25.243 19.734 16.350
160 HG3 GLU 22 HG3 GLU 22 25.440 18.956 14.781
161 H GLN 23 H GLN 23 27.553 22.410 13.855
162 HA GLN 23 HA GLN 23 30.439 22.644 14.006
163 HB2 GLN 23 HB2 GLN 23 28.611 22.399 11.921
164 HB3 GLN 23 HB3 GLN 23 29.182 24.058 11.800
165 HG2 GLN 23 HG2 GLN 23 31.530 23.091 11.932
166 HG3 GLN 23 HG3 GLN 23 30.775 21.524 11.647
167 HE21 GLN 23 HE21 GLN 23 29.145 21.624 9.750
168 HE22 GLN 23 HE22 GLN 23 29.737 22.385 8.317
169 H ASP 24 H ASP 24 27.656 24.577 14.616
170 HA ASP 24 HA ASP 24 28.967 27.118 14.370
171 HB2 ASP 24 HB2 ASP 24 26.526 26.867 14.072
172 HB3 ASP 24 HB3 ASP 24 26.378 26.411 15.767
173 H LEU 25 H LEU 25 28.424 24.792 16.916
174 HA LEU 25 HA LEU 25 29.186 26.560 19.046
175 HB2 LEU 25 HB2 LEU 25 28.104 23.929 18.783
176 HB3 LEU 25 HB3 LEU 25 29.514 23.868 19.838
177 HG LEU 25 HG LEU 25 28.503 25.527 21.309
178 HD11 LEU 25 HD11 LEU 25 27.238 26.737 19.567
179 HD12 LEU 25 HD12 LEU 25 26.255 26.330 20.974
180 HD13 LEU 25 HD13 LEU 25 26.103 25.389 19.490
181 HD21 LEU 25 HD21 LEU 25 26.430 24.136 21.938
182 HD22 LEU 25 HD22 LEU 25 28.012 23.359 21.997
183 HD23 LEU 25 HD23 LEU 25 26.935 23.065 20.631
184 H ARG 26 H ARG 26 30.819 24.461 16.838
185 HA ARG 26 HA ARG 26 33.278 24.505 18.415
186 HB2 ARG 26 HB2 ARG 26 34.118 22.849 16.948
187 HB3 ARG 26 HB3 ARG 26 32.438 22.417 17.240
188 HG2 ARG 26 HG2 ARG 26 31.860 23.540 15.083
189 HG3 ARG 26 HG3 ARG 26 33.590 23.720 14.787
190 HD2 ARG 26 HD2 ARG 26 32.622 21.738 13.675
191 HD3 ARG 26 HD3 ARG 26 33.892 21.329 14.828
192 HE ARG 26 HE ARG 26 31.284 21.221 15.992
193 HH11 ARG 26 HH12 ARG 26 33.576 19.471 14.041
194 HH12 ARG 26 HH11 ARG 26 32.946 17.914 14.466
195 HH21 ARG 26 HH22 ARG 26 30.446 19.176 16.559
196 HH22 ARG 26 HH21 ARG 26 31.165 17.747 15.897
197 H ASP 27 H ASP 27 31.876 25.836 15.500
198 HA ASP 27 HA ASP 27 34.130 26.777 14.193
199 HB2 ASP 27 HB2 ASP 27 31.270 27.446 14.230
200 HB3 ASP 27 HB3 ASP 27 32.312 28.783 13.753
201 H ILE 28 H ILE 28 32.418 28.117 16.956
202 HA ILE 28 HA ILE 28 33.535 30.653 17.063
203 HB ILE 28 HB ILE 28 32.861 28.876 19.411
204 HG12 ILE 28 HG12 ILE 28 30.990 29.169 17.819
205 HG13 ILE 28 HG13 ILE 28 30.673 29.947 19.366
206 HG21 ILE 28 HG21 ILE 28 33.765 31.656 19.178
207 HG22 ILE 28 HG22 ILE 28 32.342 31.425 20.193
208 HG23 ILE 28 HG23 ILE 28 33.831 30.550 20.551
209 HD11 ILE 28 HD11 ILE 28 30.606 31.072 16.774
210 HD12 ILE 28 HD12 ILE 28 30.276 31.849 18.322
211 HD13 ILE 28 HD13 ILE 28 31.913 31.846 17.669
212 H GLY 29 H GLY 29 34.962 27.569 17.768
213 HA2 GLY 29 HA2 GLY 29 37.270 28.812 19.071
214 HA3 GLY 29 HA3 GLY 29 36.956 27.088 18.944
215 H ILE 30 H ILE 30 36.310 27.646 15.989
216 HA ILE 30 HA ILE 30 39.078 27.349 15.090
217 HB ILE 30 HB ILE 30 36.600 26.946 13.424
218 HG12 ILE 30 HG12 ILE 30 38.077 24.908 15.105
219 HG13 ILE 30 HG13 ILE 30 36.455 25.518 15.416
220 HG21 ILE 30 HG21 ILE 30 38.043 26.507 11.799
221 HG22 ILE 30 HG22 ILE 30 39.382 26.865 12.888
222 HG23 ILE 30 HG23 ILE 30 38.758 25.220 12.769
223 HD11 ILE 30 HD11 ILE 30 36.075 23.475 14.408
224 HD12 ILE 30 HD12 ILE 30 35.913 24.610 13.067
225 HD13 ILE 30 HD13 ILE 30 37.398 23.679 13.261
226 H SER 31 H SER 31 36.857 29.776 15.406
227 HA SER 31 HA SER 31 37.939 31.247 13.092
228 HB2 SER 31 HB2 SER 31 35.234 30.880 13.988
229 HB3 SER 31 HB3 SER 31 35.651 32.591 14.079
230 HG SER 31 HG SER 31 35.036 31.183 11.930
231 H ASP 32 H ASP 32 38.278 30.924 16.317
232 HA ASP 32 HA ASP 32 38.142 33.422 17.467
233 HB2 ASP 32 HB2 ASP 32 39.625 30.949 17.976
234 HB3 ASP 32 HB3 ASP 32 40.457 32.390 18.554
235 HA PRO 33 HA PRO 33 41.165 35.997 15.605
236 HB2 PRO 33 HB2 PRO 33 42.059 37.430 17.731
237 HB3 PRO 33 HB3 PRO 33 40.459 37.665 17.019
238 HG2 PRO 33 HG2 PRO 33 41.238 36.110 19.455
239 HG3 PRO 33 HG3 PRO 33 39.860 37.200 19.217
240 HD2 PRO 33 HD2 PRO 33 39.624 34.505 19.097
241 HD3 PRO 33 HD3 PRO 33 38.620 35.596 18.121
242 H GLN 34 H GLN 34 42.304 34.601 18.682
243 HA GLN 34 HA GLN 34 45.032 34.884 18.278
244 HB2 GLN 34 HB2 GLN 34 43.470 32.775 19.765
245 HB3 GLN 34 HB3 GLN 34 45.227 32.858 19.798
246 HG2 GLN 34 HG2 GLN 34 44.792 35.333 20.525
247 HG3 GLN 34 HG3 GLN 34 43.218 34.695 20.997
248 HE21 GLN 34 HE21 GLN 34 43.050 33.803 22.931
249 HE22 GLN 34 HE22 GLN 34 44.367 33.305 23.932
250 H HIS 35 H HIS 35 42.800 32.666 16.835
251 HA HIS 35 HA HIS 35 44.462 30.587 16.055
252 HB2 HIS 35 HB2 HIS 35 41.841 31.260 15.605
253 HB3 HIS 35 HB3 HIS 35 42.538 31.418 13.996
254 HD1 HIS 35 HD1 HIS 35 40.501 29.217 14.528
255 HD2 HIS 35 HD2 HIS 35 44.603 28.692 14.920
256 HE1 HIS 35 HE1 HIS 35 40.888 26.745 14.286
257 H ARG 36 H ARG 36 44.254 33.838 14.854
258 HA ARG 36 HA ARG 36 45.619 33.357 12.388
259 HB2 ARG 36 HB2 ARG 36 44.377 35.294 12.270
260 HB3 ARG 36 HB3 ARG 36 44.754 35.763 13.922
261 HG2 ARG 36 HG2 ARG 36 46.689 36.803 13.337
262 HG3 ARG 36 HG3 ARG 36 46.977 35.735 11.962
263 HD2 ARG 36 HD2 ARG 36 46.438 37.759 10.957
264 HD3 ARG 36 HD3 ARG 36 44.913 36.874 10.924
265 HE ARG 36 HE ARG 36 45.079 38.436 13.271
266 HH11 ARG 36 HH12 ARG 36 44.607 38.722 9.834
267 HH12 ARG 36 HH11 ARG 36 43.671 40.175 9.951
268 HH21 ARG 36 HH22 ARG 36 43.848 40.350 13.439
269 HH22 ARG 36 HH21 ARG 36 43.241 41.101 12.002
270 H ARG 37 H ARG 37 46.575 34.159 15.654
271 HA ARG 37 HA ARG 37 49.280 34.834 14.967
272 HB2 ARG 37 HB2 ARG 37 47.883 34.290 17.583
273 HB3 ARG 37 HB3 ARG 37 49.607 34.625 17.488
274 HG2 ARG 37 HG2 ARG 37 49.007 36.775 16.320
275 HG3 ARG 37 HG3 ARG 37 47.331 36.443 16.759
276 HD2 ARG 37 HD2 ARG 37 49.183 36.176 18.995
277 HD3 ARG 37 HD3 ARG 37 49.169 37.795 18.296
278 HE ARG 37 HE ARG 37 47.067 36.536 19.797
279 HH11 ARG 37 HH12 ARG 37 47.831 38.972 17.431
280 HH12 ARG 37 HH11 ARG 37 46.421 39.923 17.763
281 HH21 ARG 37 HH22 ARG 37 45.207 37.778 20.244
282 HH22 ARG 37 HH21 ARG 37 44.930 39.243 19.364
283 H LYS 38 H LYS 38 47.545 31.946 15.841
284 HA LYS 38 HA LYS 38 49.969 30.418 16.300
285 HB2 LYS 38 HB2 LYS 38 47.068 29.984 16.646
286 HB3 LYS 38 HB3 LYS 38 47.997 28.556 16.210
287 HG2 LYS 38 HG2 LYS 38 48.482 28.327 18.359
288 HG3 LYS 38 HG3 LYS 38 49.483 29.774 18.219
289 HD2 LYS 38 HD2 LYS 38 48.021 30.188 20.021
290 HD3 LYS 38 HD3 LYS 38 47.364 31.103 18.662
291 HE2 LYS 38 HE2 LYS 38 45.423 30.074 18.993
292 HE3 LYS 38 HE3 LYS 38 46.194 28.568 18.498
293 HZ1 LYS 38 HZ1 LYS 38 45.760 27.841 20.535
294 HZ2 LYS 38 HZ2 LYS 38 45.311 29.376 21.083
295 HZ3 LYS 38 HZ3 LYS 38 46.937 28.911 21.111
296 H LEU 39 H LEU 39 47.829 31.157 13.710
297 HA LEU 39 HA LEU 39 48.619 28.878 12.102
298 HB2 LEU 39 HB2 LEU 39 46.331 29.973 12.069
299 HB3 LEU 39 HB3 LEU 39 47.089 31.302 11.194
300 HG LEU 39 HG LEU 39 47.830 29.133 9.698
301 HD11 LEU 39 HD11 LEU 39 45.243 28.555 11.053
302 HD12 LEU 39 HD12 LEU 39 46.542 27.460 10.583
303 HD13 LEU 39 HD13 LEU 39 45.443 28.099 9.361
304 HD21 LEU 39 HD21 LEU 39 46.408 30.017 8.050
305 HD22 LEU 39 HD22 LEU 39 46.849 31.393 9.062
306 HD23 LEU 39 HD23 LEU 39 45.267 30.634 9.245
307 H LEU 40 H LEU 40 49.565 32.168 12.585
308 HA LEU 40 HA LEU 40 50.906 32.548 10.105
309 HB2 LEU 40 HB2 LEU 40 50.123 34.302 11.809
310 HB3 LEU 40 HB3 LEU 40 51.619 33.938 12.667
311 HG LEU 40 HG LEU 40 52.515 34.443 10.129
312 HD11 LEU 40 HD11 LEU 40 50.170 36.245 10.696
313 HD12 LEU 40 HD12 LEU 40 50.400 35.189 9.303
314 HD13 LEU 40 HD13 LEU 40 51.433 36.602 9.518
315 HD21 LEU 40 HD21 LEU 40 53.162 36.669 11.085
316 HD22 LEU 40 HD22 LEU 40 53.591 35.278 12.081
317 HD23 LEU 40 HD23 LEU 40 52.193 36.268 12.503
318 H GLN 41 H GLN 41 52.025 31.671 13.364
319 HA GLN 41 HA GLN 41 54.750 31.397 12.638
320 HB2 GLN 41 HB2 GLN 41 53.160 30.328 14.969
321 HB3 GLN 41 HB3 GLN 41 54.896 30.095 14.804
322 HG2 GLN 41 HG2 GLN 41 54.328 32.854 14.443
323 HG3 GLN 41 HG3 GLN 41 53.506 32.298 15.900
324 HE21 GLN 41 HE21 GLN 41 56.553 32.861 14.363
325 HE22 GLN 41 HE22 GLN 41 57.539 32.639 15.764
326 H ALA 42 H ALA 42 51.999 29.312 12.392
327 HA ALA 42 HA ALA 42 53.593 26.921 11.988
328 HB1 ALA 42 HB1 ALA 42 51.517 25.751 11.804
329 HB2 ALA 42 HB2 ALA 42 51.387 26.879 13.154
330 HB3 ALA 42 HB3 ALA 42 50.623 27.259 11.610
331 H ALA 43 H ALA 43 51.946 29.339 10.089
332 HA ALA 43 HA ALA 43 52.135 27.830 7.629
333 HB1 ALA 43 HB1 ALA 43 50.246 29.337 8.008
334 HB2 ALA 43 HB2 ALA 43 51.354 30.708 8.081
335 HB3 ALA 43 HB3 ALA 43 51.168 29.804 6.578
336 H ARG 44 H ARG 44 54.046 30.103 9.386
337 HA ARG 44 HA ARG 44 55.574 31.126 7.226
338 HB2 ARG 44 HB2 ARG 44 55.884 31.053 10.199
339 HB3 ARG 44 HB3 ARG 44 57.265 31.509 9.210
340 HG2 ARG 44 HG2 ARG 44 55.112 32.996 8.224
341 HG3 ARG 44 HG3 ARG 44 54.983 33.063 9.983
342 HD2 ARG 44 HD2 ARG 44 57.394 33.779 8.319
343 HD3 ARG 44 HD3 ARG 44 56.342 34.899 9.184
344 HE ARG 44 HE ARG 44 57.287 33.160 11.090
345 HH11 ARG 44 HH12 ARG 44 58.682 35.374 8.793
346 HH12 ARG 44 HH11 ARG 44 60.071 35.717 9.770
347 HH21 ARG 44 HH22 ARG 44 59.111 33.603 12.385
348 HH22 ARG 44 HH21 ARG 44 60.315 34.708 11.813
349 HN1 NH2 45 HN1 NH2 45 55.862 28.295 9.311
350 HN2 NH2 45 HN2 NH2 45 57.227 27.592 8.510
Start of MODEL 15
1 H1 ACE 1 H1 ACE 1 2.824 0.068 4.413
2 H2 ACE 1 H2 ACE 1 2.969 -0.361 2.692
3 H3 ACE 1 H3 ACE 1 4.431 -0.047 3.656
4 H SER 2 H SER 2 2.072 1.230 1.638
5 HA SER 2 HA SER 2 1.735 3.293 0.739
6 HB2 SER 2 HB2 SER 2 1.052 3.579 3.278
7 HB3 SER 2 HB3 SER 2 2.474 4.622 3.314
8 HG SER 2 HG SER 2 1.185 6.072 2.518
9 H LYS 3 H LYS 3 2.811 5.603 0.593
10 HA LYS 3 HA LYS 3 5.293 5.321 -0.581
11 HB2 LYS 3 HB2 LYS 3 3.494 7.378 -0.258
12 HB3 LYS 3 HB3 LYS 3 4.890 7.953 0.644
13 HG2 LYS 3 HG2 LYS 3 6.246 8.003 -1.232
14 HG3 LYS 3 HG3 LYS 3 5.220 6.878 -2.126
15 HD2 LYS 3 HD2 LYS 3 3.454 8.836 -1.811
16 HD3 LYS 3 HD3 LYS 3 4.925 9.805 -1.703
17 HE2 LYS 3 HE2 LYS 3 5.641 8.610 -3.852
18 HE3 LYS 3 HE3 LYS 3 3.958 8.103 -3.981
19 HZ1 LYS 3 HZ1 LYS 3 3.241 10.287 -4.230
20 HZ2 LYS 3 HZ2 LYS 3 4.648 10.229 -5.167
21 HZ3 LYS 3 HZ3 LYS 3 4.682 10.946 -3.636
22 H LEU 4 H LEU 4 4.530 6.307 2.736
23 HA LEU 4 HA LEU 4 5.831 6.578 4.589
24 HB2 LEU 4 HB2 LEU 4 5.941 4.110 4.141
25 HB3 LEU 4 HB3 LEU 4 7.492 4.391 3.354
26 HG LEU 4 HG LEU 4 7.756 5.562 5.866
27 HD11 LEU 4 HD11 LEU 4 6.529 2.835 6.195
28 HD12 LEU 4 HD12 LEU 4 5.652 4.339 6.470
29 HD13 LEU 4 HD13 LEU 4 7.058 3.946 7.459
30 HD21 LEU 4 HD21 LEU 4 9.476 4.361 4.616
31 HD22 LEU 4 HD22 LEU 4 8.633 2.839 4.907
32 HD23 LEU 4 HD23 LEU 4 9.328 3.736 6.258
33 H LEU 5 H LEU 5 6.486 8.294 2.408
34 HA LEU 5 HA LEU 5 9.407 8.506 2.565
35 HB2 LEU 5 HB2 LEU 5 7.437 9.075 0.542
36 HB3 LEU 5 HB3 LEU 5 8.417 10.502 0.873
37 HG LEU 5 HG LEU 5 9.687 7.849 0.277
38 HD11 LEU 5 HD11 LEU 5 8.045 9.326 -1.504
39 HD12 LEU 5 HD12 LEU 5 9.029 7.901 -1.836
40 HD13 LEU 5 HD13 LEU 5 9.722 9.513 -2.017
41 HD21 LEU 5 HD21 LEU 5 10.562 10.725 0.061
42 HD22 LEU 5 HD22 LEU 5 11.496 9.356 -0.543
43 HD23 LEU 5 HD23 LEU 5 11.162 9.504 1.183
44 H LEU 6 H LEU 6 6.433 10.269 3.230
45 HA LEU 6 HA LEU 6 7.557 12.735 3.939
46 HB2 LEU 6 HB2 LEU 6 5.026 11.686 3.793
47 HB3 LEU 6 HB3 LEU 6 5.232 11.946 5.524
48 HG LEU 6 HG LEU 6 5.785 14.324 5.041
49 HD11 LEU 6 HD11 LEU 6 6.353 13.645 2.568
50 HD12 LEU 6 HD12 LEU 6 5.713 15.243 2.947
51 HD13 LEU 6 HD13 LEU 6 4.643 13.993 2.312
52 HD21 LEU 6 HD21 LEU 6 3.538 15.013 4.791
53 HD22 LEU 6 HD22 LEU 6 3.484 13.458 5.623
54 HD23 LEU 6 HD23 LEU 6 3.110 13.552 3.901
55 H ASN 7 H ASN 7 6.797 9.888 5.919
56 HA ASN 7 HA ASN 7 7.547 10.967 8.396
57 HB2 ASN 7 HB2 ASN 7 7.666 8.084 7.482
58 HB3 ASN 7 HB3 ASN 7 7.712 8.630 9.155
59 HD21 ASN 7 HD21 ASN 7 5.851 9.163 10.175
60 HD22 ASN 7 HD22 ASN 7 4.283 9.004 9.466
61 H GLY 8 H GLY 8 9.427 9.668 5.772
62 HA2 GLY 8 HA2 GLY 8 11.841 9.450 7.374
63 HA3 GLY 8 HA3 GLY 8 11.693 9.112 5.656
64 H PHE 9 H PHE 9 10.415 11.685 5.083
65 HA PHE 9 HA PHE 9 12.816 13.217 4.731
66 HB2 PHE 9 HB2 PHE 9 11.008 13.092 3.018
67 HB3 PHE 9 HB3 PHE 9 9.964 14.002 4.104
68 HD1 PHE 9 HD1 PHE 9 13.093 14.170 2.144
69 HD2 PHE 9 HD2 PHE 9 10.084 16.344 4.228
70 HE1 PHE 9 HE1 PHE 9 13.983 16.273 1.229
71 HE2 PHE 9 HE2 PHE 9 10.970 18.450 3.315
72 HZ PHE 9 HZ PHE 9 12.921 18.417 1.813
73 H ASP 10 H ASP 10 10.411 13.032 7.120
74 HA ASP 10 HA ASP 10 10.608 15.762 8.020
75 HB2 ASP 10 HB2 ASP 10 9.029 13.399 8.694
76 HB3 ASP 10 HB3 ASP 10 9.530 14.311 10.115
77 H ASP 11 H ASP 11 12.253 12.779 8.607
78 HA ASP 11 HA ASP 11 13.494 13.738 11.056
79 HB2 ASP 11 HB2 ASP 11 13.080 11.169 9.802
80 HB3 ASP 11 HB3 ASP 11 14.777 11.381 10.225
81 H VAL 12 H VAL 12 14.270 13.258 7.674
82 HA VAL 12 HA VAL 12 17.081 13.679 7.953
83 HB VAL 12 HB VAL 12 15.971 12.490 6.023
84 HG11 VAL 12 HG11 VAL 12 15.465 15.275 4.993
85 HG12 VAL 12 HG12 VAL 12 15.034 13.745 4.226
86 HG13 VAL 12 HG13 VAL 12 14.217 14.254 5.704
87 HG21 VAL 12 HG21 VAL 12 17.485 13.918 4.324
88 HG22 VAL 12 HG22 VAL 12 18.112 14.517 5.860
89 HG23 VAL 12 HG23 VAL 12 18.152 12.790 5.504
90 H HIS 13 H HIS 13 14.308 15.739 7.534
91 HA HIS 13 HA HIS 13 15.662 18.049 6.615
92 HB2 HIS 13 HB2 HIS 13 13.029 17.352 6.998
93 HB3 HIS 13 HB3 HIS 13 13.290 18.543 8.269
94 HD1 HIS 13 HD1 HIS 13 13.114 20.925 7.584
95 HD2 HIS 13 HD2 HIS 13 13.725 18.406 4.337
96 HE1 HIS 13 HE1 HIS 13 12.921 22.391 5.550
97 H PHE 14 H PHE 14 15.327 16.589 9.724
98 HA PHE 14 HA PHE 14 16.106 18.991 11.157
99 HB2 PHE 14 HB2 PHE 14 14.479 17.438 12.165
100 HB3 PHE 14 HB3 PHE 14 15.695 16.165 12.158
101 HD1 PHE 14 HD1 PHE 14 15.818 19.757 13.154
102 HD2 PHE 14 HD2 PHE 14 16.301 15.692 14.321
103 HE1 PHE 14 HE1 PHE 14 16.589 20.489 15.372
104 HE2 PHE 14 HE2 PHE 14 17.072 16.418 16.541
105 HZ PHE 14 HZ PHE 14 17.217 18.819 17.070
106 H LEU 15 H LEU 15 17.513 15.971 10.068
107 HA LEU 15 HA LEU 15 19.860 15.923 11.542
108 HB2 LEU 15 HB2 LEU 15 18.818 14.641 9.224
109 HB3 LEU 15 HB3 LEU 15 20.479 15.128 8.892
110 HG LEU 15 HG LEU 15 20.273 12.807 9.726
111 HD11 LEU 15 HD11 LEU 15 21.964 13.092 11.598
112 HD12 LEU 15 HD12 LEU 15 21.792 14.829 11.347
113 HD13 LEU 15 HD13 LEU 15 22.378 13.803 10.038
114 HD21 LEU 15 HD21 LEU 15 18.344 13.261 11.236
115 HD22 LEU 15 HD22 LEU 15 19.455 14.079 12.334
116 HD23 LEU 15 HD23 LEU 15 19.655 12.359 11.996
117 H GLY 16 H GLY 16 19.177 17.604 8.490
118 HA2 GLY 16 HA2 GLY 16 21.696 18.591 7.914
119 HA3 GLY 16 HA3 GLY 16 20.197 19.419 7.518
120 H SER 17 H SER 17 19.166 20.499 9.550
121 HA SER 17 HA SER 17 20.761 22.616 10.319
122 HB2 SER 17 HB2 SER 17 18.747 21.898 12.330
123 HB3 SER 17 HB3 SER 17 18.902 23.364 11.363
124 HG SER 17 HG SER 17 17.374 21.133 10.934
125 H ASN 18 H ASN 18 20.451 19.456 11.758
126 HA ASN 18 HA ASN 18 21.696 20.085 14.239
127 HB2 ASN 18 HB2 ASN 18 20.336 17.914 13.250
128 HB3 ASN 18 HB3 ASN 18 21.993 17.320 13.298
129 HD21 ASN 18 HD21 ASN 18 19.196 17.869 15.056
130 HD22 ASN 18 HD22 ASN 18 19.832 17.610 16.641
131 H VAL 19 H VAL 19 22.883 18.469 11.294
132 HA VAL 19 HA VAL 19 25.517 18.080 12.099
133 HB VAL 19 HB VAL 19 24.635 18.719 9.284
134 HG11 VAL 19 HG11 VAL 19 27.073 17.520 10.505
135 HG12 VAL 19 HG12 VAL 19 26.544 16.951 8.921
136 HG13 VAL 19 HG13 VAL 19 26.925 18.656 9.165
137 HG21 VAL 19 HG21 VAL 19 23.889 16.539 10.985
138 HG22 VAL 19 HG22 VAL 19 23.403 16.870 9.322
139 HG23 VAL 19 HG23 VAL 19 24.867 15.940 9.645
140 H MET 20 H MET 20 23.892 20.966 11.076
141 HA MET 20 HA MET 20 26.342 22.430 10.590
142 HB2 MET 20 HB2 MET 20 24.349 22.937 9.265
143 HB3 MET 20 HB3 MET 20 23.469 23.364 10.726
144 HG2 MET 20 HG2 MET 20 25.297 25.122 11.080
145 HG3 MET 20 HG3 MET 20 25.714 24.827 9.394
146 HE1 MET 20 HE1 MET 20 23.664 26.237 11.962
147 HE2 MET 20 HE2 MET 20 23.849 27.759 11.090
148 HE3 MET 20 HE3 MET 20 22.257 27.010 11.230
149 H GLU 21 H GLU 21 23.875 22.190 13.099
150 HA GLU 21 HA GLU 21 24.869 24.330 14.687
151 HB2 GLU 21 HB2 GLU 21 22.597 23.664 14.999
152 HB3 GLU 21 HB3 GLU 21 23.061 21.997 15.308
153 HG2 GLU 21 HG2 GLU 21 23.420 22.380 17.470
154 HG3 GLU 21 HG3 GLU 21 24.291 23.879 17.153
155 H GLU 22 H GLU 22 25.673 20.965 14.370
156 HA GLU 22 HA GLU 22 27.154 20.836 16.840
157 HB2 GLU 22 HB2 GLU 22 27.715 18.594 16.200
158 HB3 GLU 22 HB3 GLU 22 26.019 18.859 15.819
159 HG2 GLU 22 HG2 GLU 22 26.555 19.166 13.482
160 HG3 GLU 22 HG3 GLU 22 28.275 19.012 13.833
161 H GLN 23 H GLN 23 27.835 21.394 13.449
162 HA GLN 23 HA GLN 23 30.702 21.311 13.844
163 HB2 GLN 23 HB2 GLN 23 29.009 20.990 11.648
164 HB3 GLN 23 HB3 GLN 23 29.843 22.509 11.347
165 HG2 GLN 23 HG2 GLN 23 31.989 21.231 11.866
166 HG3 GLN 23 HG3 GLN 23 31.011 19.773 11.703
167 HE21 GLN 23 HE21 GLN 23 29.626 19.787 9.648
168 HE22 GLN 23 HE22 GLN 23 30.441 20.260 8.200
169 H ASP 24 H ASP 24 28.161 23.657 13.815
170 HA ASP 24 HA ASP 24 29.854 25.934 13.385
171 HB2 ASP 24 HB2 ASP 24 27.419 25.894 12.823
172 HB3 ASP 24 HB3 ASP 24 27.063 25.858 14.548
173 H LEU 25 H LEU 25 28.891 24.032 16.100
174 HA LEU 25 HA LEU 25 29.529 26.032 18.074
175 HB2 LEU 25 HB2 LEU 25 28.200 23.531 18.023
176 HB3 LEU 25 HB3 LEU 25 29.529 23.404 19.173
177 HG LEU 25 HG LEU 25 28.654 25.246 20.459
178 HD11 LEU 25 HD11 LEU 25 27.770 26.703 18.830
179 HD12 LEU 25 HD12 LEU 25 26.398 26.187 19.811
180 HD13 LEU 25 HD13 LEU 25 26.662 25.474 18.220
181 HD21 LEU 25 HD21 LEU 25 26.169 23.710 19.981
182 HD22 LEU 25 HD22 LEU 25 27.013 24.067 21.488
183 HD23 LEU 25 HD23 LEU 25 27.609 22.793 20.423
184 H ARG 26 H ARG 26 31.206 23.561 16.344
185 HA ARG 26 HA ARG 26 33.459 23.580 18.195
186 HB2 ARG 26 HB2 ARG 26 34.346 21.766 16.933
187 HB3 ARG 26 HB3 ARG 26 32.623 21.462 17.115
188 HG2 ARG 26 HG2 ARG 26 32.192 22.129 14.867
189 HG3 ARG 26 HG3 ARG 26 33.846 22.710 14.668
190 HD2 ARG 26 HD2 ARG 26 34.251 20.698 13.777
191 HD3 ARG 26 HD3 ARG 26 34.234 20.118 15.442
192 HE ARG 26 HE ARG 26 32.194 19.709 13.428
193 HH11 ARG 26 HH12 ARG 26 33.033 19.591 16.805
194 HH12 ARG 26 HH11 ARG 26 31.769 18.479 17.215
195 HH21 ARG 26 HH22 ARG 26 30.526 18.245 13.955
196 HH22 ARG 26 HH21 ARG 26 30.344 17.713 15.592
197 H ASP 27 H ASP 27 32.520 24.812 15.070
198 HA ASP 27 HA ASP 27 35.044 25.482 14.053
199 HB2 ASP 27 HB2 ASP 27 32.787 25.524 12.853
200 HB3 ASP 27 HB3 ASP 27 32.547 27.107 13.587
201 H ILE 28 H ILE 28 32.939 27.122 16.329
202 HA ILE 28 HA ILE 28 34.075 29.653 16.354
203 HB ILE 28 HB ILE 28 32.974 28.121 18.713
204 HG12 ILE 28 HG12 ILE 28 31.519 30.194 17.091
205 HG13 ILE 28 HG13 ILE 28 31.527 28.503 16.599
206 HG21 ILE 28 HG21 ILE 28 32.478 30.488 19.526
207 HG22 ILE 28 HG22 ILE 28 34.151 29.938 19.612
208 HG23 ILE 28 HG23 ILE 28 33.645 31.019 18.315
209 HD11 ILE 28 HD11 ILE 28 29.990 29.829 18.654
210 HD12 ILE 28 HD12 ILE 28 29.750 28.254 17.898
211 HD13 ILE 28 HD13 ILE 28 30.842 28.415 19.273
212 H GLY 29 H GLY 29 35.306 26.654 17.592
213 HA2 GLY 29 HA2 GLY 29 37.381 27.999 19.149
214 HA3 GLY 29 HA3 GLY 29 37.084 26.268 19.090
215 H ILE 30 H ILE 30 36.953 26.565 16.049
216 HA ILE 30 HA ILE 30 39.836 26.271 15.651
217 HB ILE 30 HB ILE 30 37.674 25.655 13.645
218 HG12 ILE 30 HG12 ILE 30 38.894 23.810 15.711
219 HG13 ILE 30 HG13 ILE 30 37.233 24.394 15.707
220 HG21 ILE 30 HG21 ILE 30 39.365 25.111 12.317
221 HG22 ILE 30 HG22 ILE 30 40.501 25.629 13.562
222 HG23 ILE 30 HG23 ILE 30 39.951 23.954 13.511
223 HD11 ILE 30 HD11 ILE 30 38.533 22.356 13.979
224 HD12 ILE 30 HD12 ILE 30 36.972 22.317 14.798
225 HD13 ILE 30 HD13 ILE 30 37.178 23.285 13.339
226 H SER 31 H SER 31 37.542 28.642 15.359
227 HA SER 31 HA SER 31 39.000 29.951 13.157
228 HB2 SER 31 HB2 SER 31 36.184 29.550 13.562
229 HB3 SER 31 HB3 SER 31 36.534 31.278 13.571
230 HG SER 31 HG SER 31 36.683 31.124 11.492
231 H ASP 32 H ASP 32 38.775 29.911 16.395
232 HA ASP 32 HA ASP 32 38.329 32.458 17.312
233 HB2 ASP 32 HB2 ASP 32 39.730 30.115 18.254
234 HB3 ASP 32 HB3 ASP 32 40.592 31.576 18.726
235 HA PRO 33 HA PRO 33 41.442 35.141 15.782
236 HB2 PRO 33 HB2 PRO 33 41.994 36.687 17.944
237 HB3 PRO 33 HB3 PRO 33 40.483 36.811 17.035
238 HG2 PRO 33 HG2 PRO 33 41.034 35.379 19.605
239 HG3 PRO 33 HG3 PRO 33 39.643 36.384 19.161
240 HD2 PRO 33 HD2 PRO 33 39.559 33.678 19.115
241 HD3 PRO 33 HD3 PRO 33 38.629 34.681 17.984
242 H GLN 34 H GLN 34 42.251 33.855 19.005
243 HA GLN 34 HA GLN 34 44.992 34.291 18.942
244 HB2 GLN 34 HB2 GLN 34 45.066 32.249 20.499
245 HB3 GLN 34 HB3 GLN 34 44.113 33.636 21.010
246 HG2 GLN 34 HG2 GLN 34 42.142 32.537 20.807
247 HG3 GLN 34 HG3 GLN 34 42.712 31.531 19.476
248 HE21 GLN 34 HE21 GLN 34 44.377 29.890 20.089
249 HE22 GLN 34 HE22 GLN 34 44.163 29.068 21.594
250 H HIS 35 H HIS 35 43.088 32.016 17.204
251 HA HIS 35 HA HIS 35 45.044 30.042 16.705
252 HB2 HIS 35 HB2 HIS 35 42.362 30.431 16.048
253 HB3 HIS 35 HB3 HIS 35 43.193 30.414 14.495
254 HD1 HIS 35 HD1 HIS 35 41.396 28.131 14.834
255 HD2 HIS 35 HD2 HIS 35 45.263 28.060 16.352
256 HE1 HIS 35 HE1 HIS 35 41.969 25.697 15.100
257 H ARG 36 H ARG 36 43.807 32.474 14.403
258 HA ARG 36 HA ARG 36 45.867 32.176 12.543
259 HB2 ARG 36 HB2 ARG 36 43.630 33.967 12.966
260 HB3 ARG 36 HB3 ARG 36 45.025 34.835 12.338
261 HG2 ARG 36 HG2 ARG 36 44.556 32.336 10.938
262 HG3 ARG 36 HG3 ARG 36 43.173 33.431 10.863
263 HD2 ARG 36 HD2 ARG 36 45.972 34.351 10.276
264 HD3 ARG 36 HD3 ARG 36 44.944 33.638 9.034
265 HE ARG 36 HE ARG 36 43.712 35.814 10.454
266 HH11 ARG 36 HH12 ARG 36 45.763 34.926 7.784
267 HH12 ARG 36 HH11 ARG 36 45.431 36.366 6.881
268 HH21 ARG 36 HH22 ARG 36 43.267 37.714 9.274
269 HH22 ARG 36 HH21 ARG 36 44.012 37.952 7.730
270 H ARG 37 H ARG 37 45.834 33.758 15.580
271 HA ARG 37 HA ARG 37 48.060 35.511 14.989
272 HB2 ARG 37 HB2 ARG 37 46.194 35.099 17.224
273 HB3 ARG 37 HB3 ARG 37 47.830 35.520 17.713
274 HG2 ARG 37 HG2 ARG 37 47.689 37.476 16.148
275 HG3 ARG 37 HG3 ARG 37 45.978 37.096 15.948
276 HD2 ARG 37 HD2 ARG 37 46.045 37.127 18.596
277 HD3 ARG 37 HD3 ARG 37 47.428 38.182 18.304
278 HE ARG 37 HE ARG 37 44.688 38.851 17.993
279 HH11 ARG 37 HH12 ARG 37 47.841 39.402 16.625
280 HH12 ARG 37 HH11 ARG 37 47.435 40.960 15.985
281 HH21 ARG 37 HH22 ARG 37 44.140 40.901 17.155
282 HH22 ARG 37 HH21 ARG 37 45.330 41.812 16.288
283 H LYS 38 H LYS 38 47.494 32.420 16.541
284 HA LYS 38 HA LYS 38 50.246 32.229 17.455
285 HB2 LYS 38 HB2 LYS 38 48.301 31.359 18.793
286 HB3 LYS 38 HB3 LYS 38 48.085 30.120 17.564
287 HG2 LYS 38 HG2 LYS 38 49.821 28.903 18.301
288 HG3 LYS 38 HG3 LYS 38 50.803 30.325 18.659
289 HD2 LYS 38 HD2 LYS 38 48.434 29.852 20.376
290 HD3 LYS 38 HD3 LYS 38 49.795 28.745 20.564
291 HE2 LYS 38 HE2 LYS 38 50.168 31.724 20.571
292 HE3 LYS 38 HE3 LYS 38 49.738 30.843 22.036
293 HZ1 LYS 38 HZ1 LYS 38 51.925 30.578 22.272
294 HZ2 LYS 38 HZ2 LYS 38 52.261 31.001 20.669
295 HZ3 LYS 38 HZ3 LYS 38 51.813 29.414 21.049
296 H LEU 39 H LEU 39 48.397 31.408 14.707
297 HA LEU 39 HA LEU 39 50.264 29.334 13.847
298 HB2 LEU 39 HB2 LEU 39 47.646 29.378 13.580
299 HB3 LEU 39 HB3 LEU 39 48.029 30.323 12.142
300 HG LEU 39 HG LEU 39 49.600 28.303 11.593
301 HD11 LEU 39 HD11 LEU 39 49.532 26.645 13.067
302 HD12 LEU 39 HD12 LEU 39 47.876 26.339 12.544
303 HD13 LEU 39 HD13 LEU 39 48.183 27.383 13.932
304 HD21 LEU 39 HD21 LEU 39 47.742 27.227 10.397
305 HD22 LEU 39 HD22 LEU 39 47.710 28.983 10.233
306 HD23 LEU 39 HD23 LEU 39 46.596 28.180 11.341
307 H LEU 40 H LEU 40 49.621 32.677 13.412
308 HA LEU 40 HA LEU 40 50.886 32.939 10.851
309 HB2 LEU 40 HB2 LEU 40 49.230 34.547 11.482
310 HB3 LEU 40 HB3 LEU 40 50.108 34.945 12.957
311 HG LEU 40 HG LEU 40 51.632 35.411 10.498
312 HD11 LEU 40 HD11 LEU 40 49.134 37.004 11.052
313 HD12 LEU 40 HD12 LEU 40 49.454 36.007 9.634
314 HD13 LEU 40 HD13 LEU 40 50.406 37.463 9.920
315 HD21 LEU 40 HD21 LEU 40 52.519 36.183 12.549
316 HD22 LEU 40 HD22 LEU 40 50.995 36.943 13.009
317 HD23 LEU 40 HD23 LEU 40 51.954 37.616 11.690
318 H GLN 41 H GLN 41 51.845 33.510 14.212
319 HA GLN 41 HA GLN 41 54.452 34.461 13.547
320 HB2 GLN 41 HB2 GLN 41 52.950 33.841 16.009
321 HB3 GLN 41 HB3 GLN 41 54.694 33.652 16.129
322 HG2 GLN 41 HG2 GLN 41 53.575 36.146 14.946
323 HG3 GLN 41 HG3 GLN 41 53.558 35.928 16.695
324 HE21 GLN 41 HE21 GLN 41 55.044 37.461 17.201
325 HE22 GLN 41 HE22 GLN 41 56.708 37.375 16.745
326 H ALA 42 H ALA 42 53.032 31.345 13.976
327 HA ALA 42 HA ALA 42 55.589 30.010 14.327
328 HB1 ALA 42 HB1 ALA 42 53.388 29.315 15.432
329 HB2 ALA 42 HB2 ALA 42 52.964 28.637 13.860
330 HB3 ALA 42 HB3 ALA 42 54.385 28.046 14.720
331 H ALA 43 H ALA 43 53.306 30.725 11.802
332 HA ALA 43 HA ALA 43 54.447 28.837 9.934
333 HB1 ALA 43 HB1 ALA 43 52.077 29.317 9.808
334 HB2 ALA 43 HB2 ALA 43 52.413 31.027 9.533
335 HB3 ALA 43 HB3 ALA 43 52.876 29.831 8.322
336 H ARG 44 H ARG 44 54.947 32.119 10.867
337 HA ARG 44 HA ARG 44 56.119 33.084 8.479
338 HB2 ARG 44 HB2 ARG 44 55.361 34.235 10.813
339 HB3 ARG 44 HB3 ARG 44 57.104 34.184 11.039
340 HG2 ARG 44 HG2 ARG 44 57.412 35.397 8.938
341 HG3 ARG 44 HG3 ARG 44 55.662 35.452 8.720
342 HD2 ARG 44 HD2 ARG 44 55.656 36.563 11.061
343 HD3 ARG 44 HD3 ARG 44 57.364 36.859 10.741
344 HE ARG 44 HE ARG 44 55.738 37.715 8.571
345 HH11 ARG 44 HH12 ARG 44 56.784 38.590 11.775
346 HH12 ARG 44 HH11 ARG 44 56.581 40.291 11.517
347 HH21 ARG 44 HH22 ARG 44 55.467 39.953 8.221
348 HH22 ARG 44 HH21 ARG 44 55.831 41.065 9.496
349 HN1 NH2 45 HN1 NH2 45 57.391 31.375 11.298
350 HN2 NH2 45 HN2 NH2 45 58.996 31.150 10.687
Start of MODEL 16
1 H1 ACE 1 H1 ACE 1 5.745 -1.547 0.248
2 H2 ACE 1 H2 ACE 1 5.367 -1.112 1.932
3 H3 ACE 1 H3 ACE 1 4.138 -1.912 0.921
4 H SER 2 H SER 2 5.807 1.020 1.662
5 HA SER 2 HA SER 2 4.071 2.509 -0.188
6 HB2 SER 2 HB2 SER 2 3.759 2.449 2.592
7 HB3 SER 2 HB3 SER 2 4.568 3.981 2.262
8 HG SER 2 HG SER 2 2.005 3.292 1.830
9 H LYS 3 H LYS 3 4.842 5.030 0.212
10 HA LYS 3 HA LYS 3 7.524 5.045 -0.855
11 HB2 LYS 3 HB2 LYS 3 5.245 6.868 -0.776
12 HB3 LYS 3 HB3 LYS 3 6.778 7.688 -0.509
13 HG2 LYS 3 HG2 LYS 3 6.971 5.829 -2.703
14 HG3 LYS 3 HG3 LYS 3 5.651 6.975 -2.948
15 HD2 LYS 3 HD2 LYS 3 7.365 8.772 -2.276
16 HD3 LYS 3 HD3 LYS 3 8.578 7.523 -2.569
17 HE2 LYS 3 HE2 LYS 3 6.534 8.512 -4.556
18 HE3 LYS 3 HE3 LYS 3 8.246 8.931 -4.541
19 HZ1 LYS 3 HZ1 LYS 3 6.968 6.627 -5.615
20 HZ2 LYS 3 HZ2 LYS 3 8.179 6.188 -4.519
21 HZ3 LYS 3 HZ3 LYS 3 8.552 7.176 -5.840
22 H LEU 4 H LEU 4 5.953 5.777 2.161
23 HA LEU 4 HA LEU 4 6.711 6.659 4.136
24 HB2 LEU 4 HB2 LEU 4 8.493 5.452 5.072
25 HB3 LEU 4 HB3 LEU 4 7.715 4.351 3.937
26 HG LEU 4 HG LEU 4 9.993 5.864 2.850
27 HD11 LEU 4 HD11 LEU 4 10.675 3.573 4.630
28 HD12 LEU 4 HD12 LEU 4 10.515 5.188 5.319
29 HD13 LEU 4 HD13 LEU 4 11.694 4.887 4.043
30 HD21 LEU 4 HD21 LEU 4 10.083 2.984 2.698
31 HD22 LEU 4 HD22 LEU 4 9.963 4.176 1.404
32 HD23 LEU 4 HD23 LEU 4 8.504 3.599 2.211
33 H LEU 5 H LEU 5 7.187 8.365 1.874
34 HA LEU 5 HA LEU 5 9.819 9.451 2.002
35 HB2 LEU 5 HB2 LEU 5 8.016 9.614 0.136
36 HB3 LEU 5 HB3 LEU 5 7.440 11.000 1.060
37 HG LEU 5 HG LEU 5 10.162 11.463 0.766
38 HD11 LEU 5 HD11 LEU 5 10.803 11.022 -1.407
39 HD12 LEU 5 HD12 LEU 5 9.146 10.787 -1.962
40 HD13 LEU 5 HD13 LEU 5 9.930 9.552 -0.976
41 HD21 LEU 5 HD21 LEU 5 8.093 12.973 0.605
42 HD22 LEU 5 HD22 LEU 5 8.083 12.545 -1.106
43 HD23 LEU 5 HD23 LEU 5 9.483 13.361 -0.409
44 H LEU 6 H LEU 6 6.859 9.994 3.742
45 HA LEU 6 HA LEU 6 7.693 12.508 4.873
46 HB2 LEU 6 HB2 LEU 6 5.413 10.644 5.498
47 HB3 LEU 6 HB3 LEU 6 5.686 12.167 6.343
48 HG LEU 6 HG LEU 6 5.617 12.621 3.508
49 HD11 LEU 6 HD11 LEU 6 4.219 10.478 3.723
50 HD12 LEU 6 HD12 LEU 6 3.506 11.858 2.887
51 HD13 LEU 6 HD13 LEU 6 3.041 11.498 4.550
52 HD21 LEU 6 HD21 LEU 6 5.099 14.059 5.663
53 HD22 LEU 6 HD22 LEU 6 3.458 13.489 5.357
54 HD23 LEU 6 HD23 LEU 6 4.321 14.398 4.116
55 H ASN 7 H ASN 7 7.541 9.137 5.918
56 HA ASN 7 HA ASN 7 8.244 9.530 8.604
57 HB2 ASN 7 HB2 ASN 7 7.582 7.361 7.070
58 HB3 ASN 7 HB3 ASN 7 9.293 7.075 7.370
59 HD21 ASN 7 HD21 ASN 7 7.385 5.373 8.338
60 HD22 ASN 7 HD22 ASN 7 7.313 5.498 10.059
61 H GLY 8 H GLY 8 10.148 9.500 5.693
62 HA2 GLY 8 HA2 GLY 8 12.660 9.318 7.159
63 HA3 GLY 8 HA3 GLY 8 12.475 9.419 5.414
64 H PHE 9 H PHE 9 10.730 11.735 5.491
65 HA PHE 9 HA PHE 9 12.735 13.758 5.506
66 HB2 PHE 9 HB2 PHE 9 10.784 13.738 3.955
67 HB3 PHE 9 HB3 PHE 9 9.735 14.095 5.323
68 HD1 PHE 9 HD2 PHE 9 12.787 15.413 3.636
69 HD2 PHE 9 HD1 PHE 9 9.201 16.286 5.755
70 HE1 PHE 9 HE2 PHE 9 13.181 17.818 3.304
71 HE2 PHE 9 HE1 PHE 9 9.588 18.694 5.425
72 HZ PHE 9 HZ PHE 9 11.581 19.463 4.199
73 H ASP 10 H ASP 10 10.702 12.470 7.901
74 HA ASP 10 HA ASP 10 10.537 14.844 9.525
75 HB2 ASP 10 HB2 ASP 10 9.061 12.567 9.425
76 HB3 ASP 10 HB3 ASP 10 10.103 12.215 10.801
77 H ASP 11 H ASP 11 12.726 12.198 9.127
78 HA ASP 11 HA ASP 11 14.070 12.697 11.657
79 HB2 ASP 11 HB2 ASP 11 14.059 10.563 9.650
80 HB3 ASP 11 HB3 ASP 11 15.669 10.944 10.254
81 H VAL 12 H VAL 12 14.504 13.297 8.234
82 HA VAL 12 HA VAL 12 17.215 14.175 8.428
83 HB VAL 12 HB VAL 12 16.099 13.348 6.321
84 HG11 VAL 12 HG11 VAL 12 14.755 14.827 5.022
85 HG12 VAL 12 HG12 VAL 12 14.045 14.753 6.636
86 HG13 VAL 12 HG13 VAL 12 15.009 16.151 6.158
87 HG21 VAL 12 HG21 VAL 12 17.430 14.704 4.894
88 HG22 VAL 12 HG22 VAL 12 17.374 16.060 6.020
89 HG23 VAL 12 HG23 VAL 12 18.278 14.605 6.438
90 H HIS 13 H HIS 13 14.100 15.683 8.802
91 HA HIS 13 HA HIS 13 14.918 18.374 8.486
92 HB2 HIS 13 HB2 HIS 13 12.510 17.094 8.836
93 HB3 HIS 13 HB3 HIS 13 12.715 17.930 10.372
94 HD1 HIS 13 HD1 HIS 13 12.053 20.324 10.408
95 HD2 HIS 13 HD2 HIS 13 12.688 18.937 6.544
96 HE1 HIS 13 HE1 HIS 13 11.368 22.212 8.895
97 H PHE 14 H PHE 14 15.216 16.103 11.069
98 HA PHE 14 HA PHE 14 15.742 18.143 13.067
99 HB2 PHE 14 HB2 PHE 14 14.561 16.207 13.848
100 HB3 PHE 14 HB3 PHE 14 15.772 15.125 13.168
101 HD1 PHE 14 HD2 PHE 14 16.044 18.172 15.300
102 HD2 PHE 14 HD1 PHE 14 16.818 14.008 14.879
103 HE1 PHE 14 HE2 PHE 14 17.252 18.183 17.443
104 HE2 PHE 14 HE1 PHE 14 18.026 14.012 17.023
105 HZ PHE 14 HZ PHE 14 18.245 16.102 18.307
106 H LEU 15 H LEU 15 17.490 16.005 10.954
107 HA LEU 15 HA LEU 15 19.994 16.080 12.261
108 HB2 LEU 15 HB2 LEU 15 18.906 15.064 9.809
109 HB3 LEU 15 HB3 LEU 15 20.442 15.867 9.492
110 HG LEU 15 HG LEU 15 20.776 13.491 9.834
111 HD11 LEU 15 HD11 LEU 15 22.552 14.962 10.553
112 HD12 LEU 15 HD12 LEU 15 22.426 13.596 11.660
113 HD13 LEU 15 HD13 LEU 15 21.783 15.170 12.126
114 HD21 LEU 15 HD21 LEU 15 19.761 13.829 12.644
115 HD22 LEU 15 HD22 LEU 15 20.170 12.336 11.798
116 HD23 LEU 15 HD23 LEU 15 18.740 13.254 11.325
117 H GLY 16 H GLY 16 18.459 18.186 9.891
118 HA2 GLY 16 HA2 GLY 16 20.661 19.724 9.137
119 HA3 GLY 16 HA3 GLY 16 18.999 20.294 9.162
120 H SER 17 H SER 17 18.236 20.593 11.607
121 HA SER 17 HA SER 17 19.497 22.857 12.570
122 HB2 SER 17 HB2 SER 17 17.931 20.923 14.287
123 HB3 SER 17 HB3 SER 17 18.114 22.661 14.523
124 HG SER 17 HG SER 17 16.216 21.446 13.204
125 H ASN 18 H ASN 18 20.205 19.504 13.175
126 HA ASN 18 HA ASN 18 21.882 19.980 15.455
127 HB2 ASN 18 HB2 ASN 18 20.680 17.747 14.337
128 HB3 ASN 18 HB3 ASN 18 22.392 17.496 14.008
129 HD21 ASN 18 HD21 ASN 18 20.009 16.910 16.160
130 HD22 ASN 18 HD22 ASN 18 20.949 16.688 17.592
131 H VAL 19 H VAL 19 22.429 19.298 12.017
132 HA VAL 19 HA VAL 19 25.237 19.239 12.112
133 HB VAL 19 HB VAL 19 23.450 20.041 9.811
134 HG11 VAL 19 HG11 VAL 19 25.407 19.333 8.423
135 HG12 VAL 19 HG12 VAL 19 25.670 20.803 9.364
136 HG13 VAL 19 HG13 VAL 19 26.362 19.273 9.904
137 HG21 VAL 19 HG21 VAL 19 22.912 17.896 9.616
138 HG22 VAL 19 HG22 VAL 19 24.617 17.451 9.545
139 HG23 VAL 19 HG23 VAL 19 23.798 17.553 11.103
140 H MET 20 H MET 20 22.990 21.858 12.195
141 HA MET 20 HA MET 20 24.914 23.862 11.398
142 HB2 MET 20 HB2 MET 20 22.531 24.149 10.876
143 HB3 MET 20 HB3 MET 20 22.152 24.155 12.593
144 HG2 MET 20 HG2 MET 20 23.800 26.153 12.689
145 HG3 MET 20 HG3 MET 20 23.518 26.237 10.952
146 HE1 MET 20 HE1 MET 20 19.910 25.616 10.988
147 HE2 MET 20 HE2 MET 20 20.117 27.250 10.357
148 HE3 MET 20 HE3 MET 20 21.302 26.001 9.974
149 H GLU 21 H GLU 21 23.447 22.694 14.389
150 HA GLU 21 HA GLU 21 24.565 24.669 16.083
151 HB2 GLU 21 HB2 GLU 21 22.664 23.383 16.825
152 HB3 GLU 21 HB3 GLU 21 23.562 21.880 16.662
153 HG2 GLU 21 HG2 GLU 21 23.447 22.423 18.972
154 HG3 GLU 21 HG3 GLU 21 25.107 22.680 18.436
155 H GLU 22 H GLU 22 25.747 21.641 14.811
156 HA GLU 22 HA GLU 22 27.989 21.479 16.603
157 HB2 GLU 22 HB2 GLU 22 28.724 19.626 15.156
158 HB3 GLU 22 HB3 GLU 22 27.050 19.443 15.660
159 HG2 GLU 22 HG2 GLU 22 26.281 20.220 13.503
160 HG3 GLU 22 HG3 GLU 22 27.943 20.510 12.991
161 H GLN 23 H GLN 23 27.387 22.699 13.367
162 HA GLN 23 HA GLN 23 30.188 23.245 12.883
163 HB2 GLN 23 HB2 GLN 23 27.933 22.884 11.266
164 HB3 GLN 23 HB3 GLN 23 28.365 24.577 11.070
165 HG2 GLN 23 HG2 GLN 23 30.758 23.679 10.697
166 HG3 GLN 23 HG3 GLN 23 29.954 22.136 10.409
167 HE21 GLN 23 HE21 GLN 23 28.094 22.273 8.832
168 HE22 GLN 23 HE22 GLN 23 28.348 23.234 7.419
169 H ASP 24 H ASP 24 27.556 24.809 14.364
170 HA ASP 24 HA ASP 24 28.593 27.491 13.926
171 HB2 ASP 24 HB2 ASP 24 26.133 27.015 13.960
172 HB3 ASP 24 HB3 ASP 24 26.281 26.623 15.671
173 H LEU 25 H LEU 25 28.825 24.959 16.229
174 HA LEU 25 HA LEU 25 29.758 26.741 18.343
175 HB2 LEU 25 HB2 LEU 25 29.467 25.010 19.815
176 HB3 LEU 25 HB3 LEU 25 28.231 24.648 18.612
177 HG LEU 25 HG LEU 25 30.192 23.160 17.608
178 HD11 LEU 25 HD11 LEU 25 31.940 22.850 18.930
179 HD12 LEU 25 HD12 LEU 25 30.886 22.306 20.234
180 HD13 LEU 25 HD13 LEU 25 31.275 24.018 20.072
181 HD21 LEU 25 HD21 LEU 25 27.832 22.646 18.705
182 HD22 LEU 25 HD22 LEU 25 28.853 21.978 19.979
183 HD23 LEU 25 HD23 LEU 25 28.988 21.368 18.329
184 H ARG 26 H ARG 26 30.969 24.623 15.902
185 HA ARG 26 HA ARG 26 33.621 24.496 17.105
186 HB2 ARG 26 HB2 ARG 26 34.143 22.850 15.540
187 HB3 ARG 26 HB3 ARG 26 32.438 22.564 15.859
188 HG2 ARG 26 HG2 ARG 26 31.856 23.784 13.818
189 HG3 ARG 26 HG3 ARG 26 33.571 24.043 13.494
190 HD2 ARG 26 HD2 ARG 26 33.930 21.657 13.311
191 HD3 ARG 26 HD3 ARG 26 32.251 21.344 13.748
192 HE ARG 26 HE ARG 26 31.617 21.876 11.602
193 HH11 ARG 26 HH12 ARG 26 34.935 22.800 12.113
194 HH12 ARG 26 HH11 ARG 26 35.235 23.135 10.440
195 HH21 ARG 26 HH22 ARG 26 32.001 22.314 9.397
196 HH22 ARG 26 HH21 ARG 26 33.565 22.859 8.896
197 H ASP 27 H ASP 27 31.900 26.099 14.524
198 HA ASP 27 HA ASP 27 34.126 27.068 13.087
199 HB2 ASP 27 HB2 ASP 27 31.891 27.071 12.119
200 HB3 ASP 27 HB3 ASP 27 31.335 28.203 13.348
201 H ILE 28 H ILE 28 32.423 28.244 15.917
202 HA ILE 28 HA ILE 28 33.521 30.841 15.980
203 HB ILE 28 HB ILE 28 32.554 29.142 18.282
204 HG12 ILE 28 HG12 ILE 28 31.069 31.338 16.841
205 HG13 ILE 28 HG13 ILE 28 30.937 29.645 16.376
206 HG21 ILE 28 HG21 ILE 28 32.111 31.671 19.066
207 HG22 ILE 28 HG22 ILE 28 33.579 30.776 19.457
208 HG23 ILE 28 HG23 ILE 28 33.570 31.906 18.103
209 HD11 ILE 28 HD11 ILE 28 30.379 30.545 19.176
210 HD12 ILE 28 HD12 ILE 28 29.149 30.610 17.914
211 HD13 ILE 28 HD13 ILE 28 29.870 29.065 18.364
212 H GLY 29 H GLY 29 34.787 27.740 16.868
213 HA2 GLY 29 HA2 GLY 29 37.061 29.007 18.242
214 HA3 GLY 29 HA3 GLY 29 36.621 27.310 18.355
215 H ILE 30 H ILE 30 36.304 28.199 15.188
216 HA ILE 30 HA ILE 30 39.050 27.322 14.569
217 HB ILE 30 HB ILE 30 36.523 26.780 13.005
218 HG12 ILE 30 HG12 ILE 30 38.348 24.710 14.190
219 HG13 ILE 30 HG13 ILE 30 37.106 25.468 15.181
220 HG21 ILE 30 HG21 ILE 30 39.416 26.281 12.399
221 HG22 ILE 30 HG22 ILE 30 38.145 25.285 11.691
222 HG23 ILE 30 HG23 ILE 30 38.180 27.021 11.381
223 HD11 ILE 30 HD11 ILE 30 35.874 23.738 14.462
224 HD12 ILE 30 HD12 ILE 30 35.641 24.758 13.041
225 HD13 ILE 30 HD13 ILE 30 36.865 23.490 13.025
226 H SER 31 H SER 31 36.600 29.678 14.064
227 HA SER 31 HA SER 31 38.152 30.909 11.888
228 HB2 SER 31 HB2 SER 31 35.336 30.564 12.308
229 HB3 SER 31 HB3 SER 31 35.701 32.288 12.253
230 HG SER 31 HG SER 31 36.419 32.093 10.225
231 H ASP 32 H ASP 32 37.946 31.031 15.122
232 HA ASP 32 HA ASP 32 37.548 33.642 15.896
233 HB2 ASP 32 HB2 ASP 32 39.004 31.334 16.954
234 HB3 ASP 32 HB3 ASP 32 39.685 32.877 17.462
235 HA PRO 33 HA PRO 33 40.746 36.113 14.189
236 HB2 PRO 33 HB2 PRO 33 41.195 37.882 16.199
237 HB3 PRO 33 HB3 PRO 33 39.738 37.914 15.199
238 HG2 PRO 33 HG2 PRO 33 40.133 36.767 17.936
239 HG3 PRO 33 HG3 PRO 33 38.778 37.724 17.309
240 HD2 PRO 33 HD2 PRO 33 38.669 35.029 17.553
241 HD3 PRO 33 HD3 PRO 33 37.813 35.908 16.269
242 H GLN 34 H GLN 34 41.379 35.252 17.592
243 HA GLN 34 HA GLN 34 44.116 35.646 17.628
244 HB2 GLN 34 HB2 GLN 34 42.385 33.669 19.103
245 HB3 GLN 34 HB3 GLN 34 44.108 33.823 19.414
246 HG2 GLN 34 HG2 GLN 34 43.891 35.930 20.332
247 HG3 GLN 34 HG3 GLN 34 42.348 36.230 19.532
248 HE21 GLN 34 HE21 GLN 34 43.093 36.471 22.348
249 HE22 GLN 34 HE22 GLN 34 42.001 35.453 23.217
250 H HIS 35 H HIS 35 42.278 33.103 16.156
251 HA HIS 35 HA HIS 35 44.134 31.058 15.969
252 HB2 HIS 35 HB2 HIS 35 41.621 31.500 14.970
253 HB3 HIS 35 HB3 HIS 35 42.596 31.503 13.504
254 HD1 HIS 35 HD1 HIS 35 40.588 29.259 13.947
255 HD2 HIS 35 HD2 HIS 35 44.562 29.050 15.139
256 HE1 HIS 35 HE1 HIS 35 41.113 26.805 14.110
257 H ARG 36 H ARG 36 44.018 34.104 14.296
258 HA ARG 36 HA ARG 36 45.685 33.512 12.119
259 HB2 ARG 36 HB2 ARG 36 44.822 35.976 13.531
260 HB3 ARG 36 HB3 ARG 36 46.259 36.103 12.525
261 HG2 ARG 36 HG2 ARG 36 43.671 34.964 11.513
262 HG3 ARG 36 HG3 ARG 36 44.059 36.684 11.433
263 HD2 ARG 36 HD2 ARG 36 46.221 35.021 10.443
264 HD3 ARG 36 HD3 ARG 36 44.718 34.750 9.562
265 HE ARG 36 HE ARG 36 45.153 37.514 9.826
266 HH11 ARG 36 HH12 ARG 36 46.433 34.736 8.164
267 HH12 ARG 36 HH11 ARG 36 47.016 35.650 6.813
268 HH21 ARG 36 HH22 ARG 36 45.915 38.729 8.052
269 HH22 ARG 36 HH21 ARG 36 46.722 37.922 6.751
270 H ARG 37 H ARG 37 46.523 35.060 15.224
271 HA ARG 37 HA ARG 37 49.304 35.062 14.777
272 HB2 ARG 37 HB2 ARG 37 49.514 35.573 17.142
273 HB3 ARG 37 HB3 ARG 37 48.185 36.491 16.448
274 HG2 ARG 37 HG2 ARG 37 46.577 35.256 17.556
275 HG3 ARG 37 HG3 ARG 37 47.655 33.880 17.795
276 HD2 ARG 37 HD2 ARG 37 48.980 35.816 19.153
277 HD3 ARG 37 HD3 ARG 37 47.308 36.320 19.399
278 HE ARG 37 HE ARG 37 47.042 34.555 20.819
279 HH11 ARG 37 HH12 ARG 37 49.811 33.952 18.798
280 HH12 ARG 37 HH11 ARG 37 50.272 32.508 19.636
281 HH21 ARG 37 HH22 ARG 37 47.638 32.656 21.931
282 HH22 ARG 37 HH21 ARG 37 49.035 31.771 21.418
283 H LYS 38 H LYS 38 47.131 32.582 15.738
284 HA LYS 38 HA LYS 38 49.173 30.913 16.936
285 HB2 LYS 38 HB2 LYS 38 46.241 30.816 16.615
286 HB3 LYS 38 HB3 LYS 38 47.049 29.254 16.581
287 HG2 LYS 38 HG2 LYS 38 48.120 29.813 18.742
288 HG3 LYS 38 HG3 LYS 38 47.175 31.303 18.783
289 HD2 LYS 38 HD2 LYS 38 45.137 29.740 18.481
290 HD3 LYS 38 HD3 LYS 38 46.240 28.464 19.002
291 HE2 LYS 38 HE2 LYS 38 46.556 30.649 20.775
292 HE3 LYS 38 HE3 LYS 38 44.826 30.367 20.584
293 HZ1 LYS 38 HZ1 LYS 38 44.975 28.277 21.473
294 HZ2 LYS 38 HZ2 LYS 38 46.173 29.070 22.366
295 HZ3 LYS 38 HZ3 LYS 38 46.605 28.079 21.064
296 H LEU 39 H LEU 39 47.672 31.367 13.843
297 HA LEU 39 HA LEU 39 48.775 28.872 12.803
298 HB2 LEU 39 HB2 LEU 39 46.455 30.149 12.267
299 HB3 LEU 39 HB3 LEU 39 47.470 30.776 10.970
300 HG LEU 39 HG LEU 39 46.152 28.838 10.258
301 HD11 LEU 39 HD11 LEU 39 47.907 27.657 9.175
302 HD12 LEU 39 HD12 LEU 39 49.068 28.111 10.422
303 HD13 LEU 39 HD13 LEU 39 48.425 29.336 9.328
304 HD21 LEU 39 HD21 LEU 39 46.206 27.786 12.579
305 HD22 LEU 39 HD22 LEU 39 47.793 27.160 12.133
306 HD23 LEU 39 HD23 LEU 39 46.368 26.700 11.199
307 H LEU 40 H LEU 40 49.524 32.203 12.994
308 HA LEU 40 HA LEU 40 51.268 32.217 10.683
309 HB2 LEU 40 HB2 LEU 40 49.947 34.204 11.500
310 HB3 LEU 40 HB3 LEU 40 51.068 34.289 12.857
311 HG LEU 40 HG LEU 40 52.786 34.319 10.748
312 HD11 LEU 40 HD11 LEU 40 51.737 36.147 9.273
313 HD12 LEU 40 HD12 LEU 40 50.194 35.538 9.871
314 HD13 LEU 40 HD13 LEU 40 51.280 34.468 8.984
315 HD21 LEU 40 HD21 LEU 40 53.228 36.512 11.368
316 HD22 LEU 40 HD22 LEU 40 52.477 35.837 12.814
317 HD23 LEU 40 HD23 LEU 40 51.536 36.859 11.727
318 H GLN 41 H GLN 41 51.497 31.727 14.118
319 HA GLN 41 HA GLN 41 54.381 31.971 14.158
320 HB2 GLN 41 HB2 GLN 41 52.271 31.382 16.198
321 HB3 GLN 41 HB3 GLN 41 53.948 30.988 16.551
322 HG2 GLN 41 HG2 GLN 41 53.637 33.674 15.499
323 HG3 GLN 41 HG3 GLN 41 52.712 33.408 16.977
324 HE21 GLN 41 HE21 GLN 41 54.000 34.726 18.222
325 HE22 GLN 41 HE22 GLN 41 55.615 34.306 18.670
326 H ALA 42 H ALA 42 52.022 29.509 13.689
327 HA ALA 42 HA ALA 42 53.927 27.360 14.211
328 HB1 ALA 42 HB1 ALA 42 50.990 27.402 13.583
329 HB2 ALA 42 HB2 ALA 42 51.932 25.910 13.580
330 HB3 ALA 42 HB3 ALA 42 51.794 26.863 15.058
331 H ALA 43 H ALA 43 52.455 29.074 11.568
332 HA ALA 43 HA ALA 43 53.214 27.138 9.569
333 HB1 ALA 43 HB1 ALA 43 52.257 29.974 9.204
334 HB2 ALA 43 HB2 ALA 43 52.340 28.722 7.965
335 HB3 ALA 43 HB3 ALA 43 51.214 28.556 9.312
336 H ARG 44 H ARG 44 54.651 29.866 11.111
337 HA ARG 44 HA ARG 44 56.496 30.596 9.093
338 HB2 ARG 44 HB2 ARG 44 55.781 31.662 11.483
339 HB3 ARG 44 HB3 ARG 44 57.330 30.946 11.905
340 HG2 ARG 44 HG2 ARG 44 58.408 32.202 10.114
341 HG3 ARG 44 HG3 ARG 44 56.853 32.911 9.673
342 HD2 ARG 44 HD2 ARG 44 56.725 34.142 11.665
343 HD3 ARG 44 HD3 ARG 44 57.973 33.170 12.445
344 HE ARG 44 HE ARG 44 59.116 34.422 10.229
345 HH11 ARG 44 HH12 ARG 44 57.738 35.268 13.312
346 HH12 ARG 44 HH11 ARG 44 58.704 36.694 13.499
347 HH21 ARG 44 HH22 ARG 44 60.393 36.297 10.464
348 HH22 ARG 44 HH21 ARG 44 60.214 37.279 11.878
349 HN1 NH2 45 HN1 NH2 45 56.563 28.223 11.709
350 HN2 NH2 45 HN2 NH2 45 58.070 27.488 11.274
Start of MODEL 17
1 H1 ACE 1 H1 ACE 1 8.864 4.247 -1.467
2 H2 ACE 1 H2 ACE 1 10.440 3.514 -1.851
3 H3 ACE 1 H3 ACE 1 9.006 2.481 -1.639
4 H SER 2 H SER 2 11.678 3.888 -0.190
5 HA SER 2 HA SER 2 10.887 2.804 2.402
6 HB2 SER 2 HB2 SER 2 13.369 3.050 0.953
7 HB3 SER 2 HB3 SER 2 13.525 3.785 2.549
8 HG SER 2 HG SER 2 13.399 1.175 1.877
9 H LYS 3 H LYS 3 11.583 5.829 0.833
10 HA LYS 3 HA LYS 3 11.900 7.374 3.212
11 HB2 LYS 3 HB2 LYS 3 12.133 7.802 0.423
12 HB3 LYS 3 HB3 LYS 3 10.954 8.963 1.018
13 HG2 LYS 3 HG2 LYS 3 12.487 10.128 2.193
14 HG3 LYS 3 HG3 LYS 3 13.425 8.691 2.606
15 HD2 LYS 3 HD2 LYS 3 13.405 9.459 -0.246
16 HD3 LYS 3 HD3 LYS 3 14.252 10.555 0.849
17 HE2 LYS 3 HE2 LYS 3 15.448 8.510 1.745
18 HE3 LYS 3 HE3 LYS 3 14.772 7.628 0.377
19 HZ1 LYS 3 HZ1 LYS 3 16.393 8.401 -0.892
20 HZ2 LYS 3 HZ2 LYS 3 17.066 9.210 0.432
21 HZ3 LYS 3 HZ3 LYS 3 15.947 9.999 -0.561
22 H LEU 4 H LEU 4 9.187 6.441 1.205
23 HA LEU 4 HA LEU 4 6.938 6.697 1.432
24 HB2 LEU 4 HB2 LEU 4 7.534 5.647 3.634
25 HB3 LEU 4 HB3 LEU 4 7.543 7.268 4.326
26 HG LEU 4 HG LEU 4 5.062 7.060 3.090
27 HD11 LEU 4 HD11 LEU 4 4.212 4.997 3.306
28 HD12 LEU 4 HD12 LEU 4 5.080 4.684 4.809
29 HD13 LEU 4 HD13 LEU 4 5.900 4.486 3.260
30 HD21 LEU 4 HD21 LEU 4 5.818 8.064 5.317
31 HD22 LEU 4 HD22 LEU 4 5.558 6.454 5.989
32 HD23 LEU 4 HD23 LEU 4 4.215 7.332 5.255
33 H LEU 5 H LEU 5 8.783 9.095 1.100
34 HA LEU 5 HA LEU 5 8.676 11.378 1.058
35 HB2 LEU 5 HB2 LEU 5 6.689 10.384 -0.383
36 HB3 LEU 5 HB3 LEU 5 5.716 11.208 0.833
37 HG LEU 5 HG LEU 5 7.235 13.258 0.198
38 HD11 LEU 5 HD11 LEU 5 7.622 11.332 -2.042
39 HD12 LEU 5 HD12 LEU 5 8.765 12.459 -1.313
40 HD13 LEU 5 HD13 LEU 5 7.507 13.056 -2.395
41 HD21 LEU 5 HD21 LEU 5 4.718 12.207 -0.787
42 HD22 LEU 5 HD22 LEU 5 5.498 13.274 -1.955
43 HD23 LEU 5 HD23 LEU 5 5.153 13.852 -0.324
44 H LEU 6 H LEU 6 8.487 10.214 3.696
45 HA LEU 6 HA LEU 6 7.881 12.485 5.200
46 HB2 LEU 6 HB2 LEU 6 5.567 11.232 4.444
47 HB3 LEU 6 HB3 LEU 6 5.869 10.533 6.033
48 HG LEU 6 HG LEU 6 4.397 12.395 6.298
49 HD11 LEU 6 HD11 LEU 6 5.455 13.377 8.049
50 HD12 LEU 6 HD12 LEU 6 6.932 13.680 7.135
51 HD13 LEU 6 HD13 LEU 6 6.596 12.064 7.756
52 HD21 LEU 6 HD21 LEU 6 6.463 14.108 4.925
53 HD22 LEU 6 HD22 LEU 6 4.884 14.615 5.526
54 HD23 LEU 6 HD23 LEU 6 4.993 13.507 4.157
55 H ASN 7 H ASN 7 8.125 8.985 5.098
56 HA ASN 7 HA ASN 7 8.789 8.663 7.854
57 HB2 ASN 7 HB2 ASN 7 7.864 6.884 6.267
58 HB3 ASN 7 HB3 ASN 7 9.504 6.744 5.640
59 HD21 ASN 7 HD21 ASN 7 10.534 5.086 6.457
60 HD22 ASN 7 HD22 ASN 7 10.401 4.493 8.074
61 H GLY 8 H GLY 8 10.607 9.234 4.915
62 HA2 GLY 8 HA2 GLY 8 13.135 8.935 6.377
63 HA3 GLY 8 HA3 GLY 8 12.964 9.047 4.632
64 H PHE 9 H PHE 9 11.236 11.329 4.616
65 HA PHE 9 HA PHE 9 13.209 13.379 4.749
66 HB2 PHE 9 HB2 PHE 9 10.920 13.064 3.326
67 HB3 PHE 9 HB3 PHE 9 10.372 14.188 4.566
68 HD1 PHE 9 HD2 PHE 9 13.281 13.727 2.272
69 HD2 PHE 9 HD1 PHE 9 10.547 16.424 4.107
70 HE1 PHE 9 HE2 PHE 9 14.283 15.591 1.018
71 HE2 PHE 9 HE1 PHE 9 11.544 18.292 2.855
72 HZ PHE 9 HZ PHE 9 13.416 17.877 1.309
73 H ASP 10 H ASP 10 11.265 11.993 7.087
74 HA ASP 10 HA ASP 10 10.723 14.329 8.661
75 HB2 ASP 10 HB2 ASP 10 9.220 12.545 9.003
76 HB3 ASP 10 HB3 ASP 10 10.521 11.370 9.172
77 H ASP 11 H ASP 11 13.214 11.848 8.586
78 HA ASP 11 HA ASP 11 14.482 12.729 11.006
79 HB2 ASP 11 HB2 ASP 11 14.833 10.582 9.069
80 HB3 ASP 11 HB3 ASP 11 16.371 11.272 9.581
81 H VAL 12 H VAL 12 15.107 13.112 7.539
82 HA VAL 12 HA VAL 12 17.526 14.527 7.767
83 HB VAL 12 HB VAL 12 16.582 13.497 5.662
84 HG11 VAL 12 HG11 VAL 12 14.331 14.547 5.907
85 HG12 VAL 12 HG12 VAL 12 15.060 16.092 5.463
86 HG13 VAL 12 HG13 VAL 12 15.056 14.754 4.313
87 HG21 VAL 12 HG21 VAL 12 17.906 16.128 5.907
88 HG22 VAL 12 HG22 VAL 12 18.461 14.645 5.129
89 HG23 VAL 12 HG23 VAL 12 17.306 15.693 4.306
90 H HIS 13 H HIS 13 14.232 15.495 8.197
91 HA HIS 13 HA HIS 13 14.618 18.294 7.817
92 HB2 HIS 13 HB2 HIS 13 12.433 16.591 8.242
93 HB3 HIS 13 HB3 HIS 13 12.451 17.671 9.633
94 HD1 HIS 13 HD1 HIS 13 10.920 19.556 9.234
95 HD2 HIS 13 HD2 HIS 13 12.891 18.421 5.757
96 HE1 HIS 13 HE1 HIS 13 10.120 21.146 7.458
97 H PHE 14 H PHE 14 15.234 16.108 10.404
98 HA PHE 14 HA PHE 14 15.452 18.269 12.360
99 HB2 PHE 14 HB2 PHE 14 14.345 16.055 12.912
100 HB3 PHE 14 HB3 PHE 14 15.946 15.328 12.824
101 HD1 PHE 14 HD1 PHE 14 14.752 18.540 14.289
102 HD2 PHE 14 HD2 PHE 14 16.598 14.763 14.955
103 HE1 PHE 14 HE1 PHE 14 15.154 19.155 16.637
104 HE2 PHE 14 HE2 PHE 14 17.002 15.371 17.305
105 HZ PHE 14 HZ PHE 14 16.279 17.569 18.149
106 H LEU 15 H LEU 15 17.400 16.168 10.406
107 HA LEU 15 HA LEU 15 19.836 16.433 11.826
108 HB2 LEU 15 HB2 LEU 15 19.064 15.590 9.074
109 HB3 LEU 15 HB3 LEU 15 20.761 15.916 9.422
110 HG LEU 15 HG LEU 15 19.038 13.870 10.821
111 HD11 LEU 15 HD11 LEU 15 19.964 12.244 9.507
112 HD12 LEU 15 HD12 LEU 15 21.401 13.199 9.142
113 HD13 LEU 15 HD13 LEU 15 19.871 13.568 8.346
114 HD21 LEU 15 HD21 LEU 15 21.302 13.127 11.685
115 HD22 LEU 15 HD22 LEU 15 20.646 14.611 12.377
116 HD23 LEU 15 HD23 LEU 15 21.911 14.693 11.150
117 H GLY 16 H GLY 16 18.256 18.357 9.352
118 HA2 GLY 16 HA2 GLY 16 20.453 19.975 8.638
119 HA3 GLY 16 HA3 GLY 16 18.760 20.407 8.451
120 H SER 17 H SER 17 18.013 20.322 11.175
121 HA SER 17 HA SER 17 18.963 22.905 11.990
122 HB2 SER 17 HB2 SER 17 16.632 21.487 12.391
123 HB3 SER 17 HB3 SER 17 17.408 21.409 13.973
124 HG SER 17 HG SER 17 17.072 23.817 12.516
125 H ASN 18 H ASN 18 19.477 19.581 12.991
126 HA ASN 18 HA ASN 18 20.867 20.211 15.399
127 HB2 ASN 18 HB2 ASN 18 19.909 17.876 14.136
128 HB3 ASN 18 HB3 ASN 18 21.647 17.657 14.324
129 HD21 ASN 18 HD21 ASN 18 19.476 16.275 15.651
130 HD22 ASN 18 HD22 ASN 18 19.694 16.535 17.345
131 H VAL 19 H VAL 19 21.934 19.185 12.163
132 HA VAL 19 HA VAL 19 24.668 19.137 12.597
133 HB VAL 19 HB VAL 19 23.270 18.554 10.467
134 HG11 VAL 19 HG11 VAL 19 23.091 20.159 8.798
135 HG12 VAL 19 HG12 VAL 19 22.666 21.057 10.256
136 HG13 VAL 19 HG13 VAL 19 24.276 21.222 9.554
137 HG21 VAL 19 HG21 VAL 19 26.003 19.781 10.137
138 HG22 VAL 19 HG22 VAL 19 25.713 18.191 10.843
139 HG23 VAL 19 HG23 VAL 19 25.277 18.503 9.162
140 H MET 20 H MET 20 22.529 21.856 12.258
141 HA MET 20 HA MET 20 24.566 23.790 11.715
142 HB2 MET 20 HB2 MET 20 22.251 24.188 11.052
143 HB3 MET 20 HB3 MET 20 21.741 24.134 12.734
144 HG2 MET 20 HG2 MET 20 23.353 26.090 13.086
145 HG3 MET 20 HG3 MET 20 23.348 26.231 11.329
146 HE1 MET 20 HE1 MET 20 19.838 25.577 13.711
147 HE2 MET 20 HE2 MET 20 21.413 25.885 14.443
148 HE3 MET 20 HE3 MET 20 20.202 27.167 14.383
149 H GLU 21 H GLU 21 22.916 22.624 14.606
150 HA GLU 21 HA GLU 21 24.026 24.551 16.375
151 HB2 GLU 21 HB2 GLU 21 22.033 23.435 17.058
152 HB3 GLU 21 HB3 GLU 21 22.761 21.851 16.826
153 HG2 GLU 21 HG2 GLU 21 22.604 22.343 19.173
154 HG3 GLU 21 HG3 GLU 21 24.298 22.303 18.686
155 H GLU 22 H GLU 22 25.117 21.491 15.122
156 HA GLU 22 HA GLU 22 27.224 21.168 17.056
157 HB2 GLU 22 HB2 GLU 22 27.202 19.762 14.414
158 HB3 GLU 22 HB3 GLU 22 27.727 19.171 15.984
159 HG2 GLU 22 HG2 GLU 22 25.070 19.624 16.407
160 HG3 GLU 22 HG3 GLU 22 25.096 19.087 14.729
161 H GLN 23 H GLN 23 26.868 22.558 13.870
162 HA GLN 23 HA GLN 23 29.731 22.916 13.546
163 HB2 GLN 23 HB2 GLN 23 27.533 22.750 11.794
164 HB3 GLN 23 HB3 GLN 23 28.154 24.388 11.638
165 HG2 GLN 23 HG2 GLN 23 30.315 23.593 11.036
166 HG3 GLN 23 HG3 GLN 23 29.874 21.932 11.429
167 HE21 GLN 23 HE21 GLN 23 28.096 24.398 9.626
168 HE22 GLN 23 HE22 GLN 23 27.998 23.502 8.152
169 H ASP 24 H ASP 24 27.063 24.622 14.828
170 HA ASP 24 HA ASP 24 28.267 27.243 14.523
171 HB2 ASP 24 HB2 ASP 24 25.791 26.892 14.426
172 HB3 ASP 24 HB3 ASP 24 25.831 26.458 16.133
173 H LEU 25 H LEU 25 28.075 24.715 16.891
174 HA LEU 25 HA LEU 25 29.005 26.394 19.059
175 HB2 LEU 25 HB2 LEU 25 28.620 24.614 20.452
176 HB3 LEU 25 HB3 LEU 25 27.446 24.317 19.172
177 HG LEU 25 HG LEU 25 29.435 22.835 18.217
178 HD11 LEU 25 HD11 LEU 25 30.011 21.827 20.790
179 HD12 LEU 25 HD12 LEU 25 30.351 23.557 20.817
180 HD13 LEU 25 HD13 LEU 25 31.125 22.525 19.614
181 HD21 LEU 25 HD21 LEU 25 27.014 22.320 19.175
182 HD22 LEU 25 HD22 LEU 25 27.961 21.586 20.470
183 HD23 LEU 25 HD23 LEU 25 28.168 21.039 18.805
184 H ARG 26 H ARG 26 30.354 24.409 16.597
185 HA ARG 26 HA ARG 26 32.921 24.175 17.964
186 HB2 ARG 26 HB2 ARG 26 33.563 22.672 16.253
187 HB3 ARG 26 HB3 ARG 26 31.886 22.288 16.615
188 HG2 ARG 26 HG2 ARG 26 31.208 23.653 14.656
189 HG3 ARG 26 HG3 ARG 26 32.917 23.862 14.267
190 HD2 ARG 26 HD2 ARG 26 33.105 21.359 14.204
191 HD3 ARG 26 HD3 ARG 26 31.348 21.292 14.343
192 HE ARG 26 HE ARG 26 31.771 22.930 12.217
193 HH11 ARG 26 HH12 ARG 26 32.820 19.719 13.057
194 HH12 ARG 26 HH11 ARG 26 32.915 19.179 11.413
195 HH21 ARG 26 HH22 ARG 26 31.893 22.232 10.049
196 HH22 ARG 26 HH21 ARG 26 32.388 20.610 9.703
197 H ASP 27 H ASP 27 31.397 25.902 15.329
198 HA ASP 27 HA ASP 27 33.698 26.923 14.086
199 HB2 ASP 27 HB2 ASP 27 31.449 27.023 13.079
200 HB3 ASP 27 HB3 ASP 27 30.960 28.193 14.302
201 H ILE 28 H ILE 28 31.925 27.945 16.925
202 HA ILE 28 HA ILE 28 32.883 30.528 17.247
203 HB ILE 28 HB ILE 28 32.312 28.499 19.410
204 HG12 ILE 28 HG12 ILE 28 30.452 30.704 18.628
205 HG13 ILE 28 HG13 ILE 28 30.524 29.264 17.618
206 HG21 ILE 28 HG21 ILE 28 31.899 30.541 20.804
207 HG22 ILE 28 HG22 ILE 28 33.585 30.268 20.366
208 HG23 ILE 28 HG23 ILE 28 32.640 31.489 19.515
209 HD11 ILE 28 HD11 ILE 28 30.140 27.960 19.782
210 HD12 ILE 28 HD12 ILE 28 29.661 29.513 20.470
211 HD13 ILE 28 HD13 ILE 28 28.781 28.849 19.094
212 H GLY 29 H GLY 29 34.507 27.491 17.667
213 HA2 GLY 29 HA2 GLY 29 36.839 28.908 18.798
214 HA3 GLY 29 HA3 GLY 29 36.498 27.204 19.056
215 H ILE 30 H ILE 30 35.780 28.061 15.901
216 HA ILE 30 HA ILE 30 38.416 27.109 14.985
217 HB ILE 30 HB ILE 30 35.727 26.673 13.679
218 HG12 ILE 30 HG12 ILE 30 37.546 24.515 14.699
219 HG13 ILE 30 HG13 ILE 30 36.457 25.342 15.807
220 HG21 ILE 30 HG21 ILE 30 37.239 25.053 12.295
221 HG22 ILE 30 HG22 ILE 30 37.154 26.764 11.877
222 HG23 ILE 30 HG23 ILE 30 38.528 26.148 12.796
223 HD11 ILE 30 HD11 ILE 30 34.764 24.705 13.793
224 HD12 ILE 30 HD12 ILE 30 35.893 23.350 13.741
225 HD13 ILE 30 HD13 ILE 30 35.030 23.723 15.233
226 H SER 31 H SER 31 36.040 29.570 14.790
227 HA SER 31 HA SER 31 37.354 30.748 12.436
228 HB2 SER 31 HB2 SER 31 34.602 30.549 13.236
229 HB3 SER 31 HB3 SER 31 35.052 32.249 13.118
230 HG SER 31 HG SER 31 35.924 31.693 11.003
231 H ASP 32 H ASP 32 37.557 30.849 15.679
232 HA ASP 32 HA ASP 32 37.414 33.479 16.487
233 HB2 ASP 32 HB2 ASP 32 38.624 31.064 17.453
234 HB3 ASP 32 HB3 ASP 32 39.741 32.405 17.689
235 HA PRO 33 HA PRO 33 40.550 35.739 14.412
236 HB2 PRO 33 HB2 PRO 33 41.330 37.478 16.345
237 HB3 PRO 33 HB3 PRO 33 39.775 37.601 15.513
238 HG2 PRO 33 HG2 PRO 33 40.399 36.435 18.198
239 HG3 PRO 33 HG3 PRO 33 39.046 37.475 17.717
240 HD2 PRO 33 HD2 PRO 33 38.795 34.793 17.993
241 HD3 PRO 33 HD3 PRO 33 37.858 35.723 16.805
242 H GLN 34 H GLN 34 41.502 34.848 17.732
243 HA GLN 34 HA GLN 34 44.244 35.067 17.468
244 HB2 GLN 34 HB2 GLN 34 42.576 33.177 19.122
245 HB3 GLN 34 HB3 GLN 34 44.328 33.257 19.253
246 HG2 GLN 34 HG2 GLN 34 43.950 35.777 19.659
247 HG3 GLN 34 HG3 GLN 34 42.286 35.305 19.999
248 HE21 GLN 34 HE21 GLN 34 45.437 35.552 21.202
249 HE22 GLN 34 HE22 GLN 34 45.179 34.778 22.725
250 H HIS 35 H HIS 35 42.105 32.631 16.231
251 HA HIS 35 HA HIS 35 43.786 30.478 15.844
252 HB2 HIS 35 HB2 HIS 35 41.227 31.085 15.105
253 HB3 HIS 35 HB3 HIS 35 42.044 31.068 13.545
254 HD1 HIS 35 HD1 HIS 35 39.968 28.935 14.109
255 HD2 HIS 35 HD2 HIS 35 44.006 28.463 14.963
256 HE1 HIS 35 HE1 HIS 35 40.354 26.451 14.180
257 H ARG 36 H ARG 36 43.491 33.426 13.929
258 HA ARG 36 HA ARG 36 45.094 32.658 11.760
259 HB2 ARG 36 HB2 ARG 36 45.181 34.954 11.178
260 HB3 ARG 36 HB3 ARG 36 43.613 34.706 11.935
261 HG2 ARG 36 HG2 ARG 36 44.198 36.590 13.027
262 HG3 ARG 36 HG3 ARG 36 45.003 35.435 14.091
263 HD2 ARG 36 HD2 ARG 36 46.735 36.870 13.722
264 HD3 ARG 36 HD3 ARG 36 46.977 35.771 12.365
265 HE ARG 36 HE ARG 36 45.271 37.916 11.637
266 HH11 ARG 36 HH12 ARG 36 48.607 37.129 12.247
267 HH12 ARG 36 HH11 ARG 36 49.225 38.369 11.206
268 HH21 ARG 36 HH22 ARG 36 46.072 39.551 10.264
269 HH22 ARG 36 HH21 ARG 36 47.782 39.747 10.079
270 H ARG 37 H ARG 37 45.903 33.841 14.951
271 HA ARG 37 HA ARG 37 48.662 34.343 14.347
272 HB2 ARG 37 HB2 ARG 37 47.246 34.039 17.002
273 HB3 ARG 37 HB3 ARG 37 48.904 34.591 16.799
274 HG2 ARG 37 HG2 ARG 37 47.991 36.473 15.402
275 HG3 ARG 37 HG3 ARG 37 46.382 35.973 15.929
276 HD2 ARG 37 HD2 ARG 37 47.765 36.094 18.289
277 HD3 ARG 37 HD3 ARG 37 48.472 37.423 17.371
278 HE ARG 37 HE ARG 37 45.823 37.292 18.463
279 HH11 ARG 37 HH12 ARG 37 47.813 38.697 15.976
280 HH12 ARG 37 HH11 ARG 37 46.797 40.085 15.765
281 HH21 ARG 37 HH22 ARG 37 44.478 39.114 18.195
282 HH22 ARG 37 HH21 ARG 37 44.901 40.322 17.029
283 H LYS 38 H LYS 38 46.793 31.661 15.607
284 HA LYS 38 HA LYS 38 49.119 30.126 16.352
285 HB2 LYS 38 HB2 LYS 38 46.262 29.948 16.731
286 HB3 LYS 38 HB3 LYS 38 46.901 28.410 16.166
287 HG2 LYS 38 HG2 LYS 38 47.456 27.976 18.265
288 HG3 LYS 38 HG3 LYS 38 48.689 29.231 18.128
289 HD2 LYS 38 HD2 LYS 38 45.932 30.133 18.711
290 HD3 LYS 38 HD3 LYS 38 46.769 29.261 19.998
291 HE2 LYS 38 HE2 LYS 38 48.701 30.852 19.639
292 HE3 LYS 38 HE3 LYS 38 47.621 31.796 18.615
293 HZ1 LYS 38 HZ1 LYS 38 47.670 32.643 20.877
294 HZ2 LYS 38 HZ2 LYS 38 47.155 31.147 21.476
295 HZ3 LYS 38 HZ3 LYS 38 46.128 32.064 20.492
296 H LEU 39 H LEU 39 47.189 30.582 13.535
297 HA LEU 39 HA LEU 39 48.111 28.127 12.276
298 HB2 LEU 39 HB2 LEU 39 45.812 29.530 12.035
299 HB3 LEU 39 HB3 LEU 39 46.719 30.160 10.661
300 HG LEU 39 HG LEU 39 45.256 28.329 9.997
301 HD11 LEU 39 HD11 LEU 39 47.560 28.720 8.982
302 HD12 LEU 39 HD12 LEU 39 46.804 27.155 8.690
303 HD13 LEU 39 HD13 LEU 39 48.076 27.306 9.901
304 HD21 LEU 39 HD21 LEU 39 46.138 27.177 12.427
305 HD22 LEU 39 HD22 LEU 39 46.644 26.110 11.116
306 HD23 LEU 39 HD23 LEU 39 44.945 26.554 11.288
307 H LEU 40 H LEU 40 48.965 31.453 12.456
308 HA LEU 40 HA LEU 40 50.442 31.535 9.992
309 HB2 LEU 40 HB2 LEU 40 49.536 33.581 10.820
310 HB3 LEU 40 HB3 LEU 40 50.330 33.365 12.379
311 HG LEU 40 HG LEU 40 52.072 33.572 9.987
312 HD11 LEU 40 HD11 LEU 40 50.082 35.372 10.087
313 HD12 LEU 40 HD12 LEU 40 51.704 35.743 9.504
314 HD13 LEU 40 HD13 LEU 40 51.248 36.149 11.158
315 HD21 LEU 40 HD21 LEU 40 53.608 33.895 11.556
316 HD22 LEU 40 HD22 LEU 40 52.365 33.598 12.772
317 HD23 LEU 40 HD23 LEU 40 52.700 35.245 12.236
318 H GLN 41 H GLN 41 51.177 30.998 13.394
319 HA GLN 41 HA GLN 41 54.016 30.963 13.016
320 HB2 GLN 41 HB2 GLN 41 52.173 30.815 15.228
321 HB3 GLN 41 HB3 GLN 41 53.392 29.556 15.370
322 HG2 GLN 41 HG2 GLN 41 55.155 31.221 15.202
323 HG3 GLN 41 HG3 GLN 41 53.948 32.492 15.015
324 HE21 GLN 41 HE21 GLN 41 55.995 32.210 17.044
325 HE22 GLN 41 HE22 GLN 41 55.174 32.156 18.563
326 H ALA 42 H ALA 42 51.458 28.656 12.748
327 HA ALA 42 HA ALA 42 53.223 26.360 12.879
328 HB1 ALA 42 HB1 ALA 42 51.244 25.636 13.685
329 HB2 ALA 42 HB2 ALA 42 50.310 26.798 12.742
330 HB3 ALA 42 HB3 ALA 42 50.912 25.325 11.981
331 H ALA 43 H ALA 43 51.244 27.996 10.418
332 HA ALA 43 HA ALA 43 52.010 26.325 8.272
333 HB1 ALA 43 HB1 ALA 43 51.150 29.191 7.990
334 HB2 ALA 43 HB2 ALA 43 50.912 27.857 6.860
335 HB3 ALA 43 HB3 ALA 43 50.019 27.895 8.381
336 H ARG 44 H ARG 44 53.572 28.961 9.855
337 HA ARG 44 HA ARG 44 55.325 29.645 7.690
338 HB2 ARG 44 HB2 ARG 44 54.929 31.379 9.240
339 HB3 ARG 44 HB3 ARG 44 55.250 30.334 10.617
340 HG2 ARG 44 HG2 ARG 44 57.485 30.620 10.488
341 HG3 ARG 44 HG3 ARG 44 57.481 30.723 8.727
342 HD2 ARG 44 HD2 ARG 44 56.133 32.942 10.097
343 HD3 ARG 44 HD3 ARG 44 57.865 32.827 10.406
344 HE ARG 44 HE ARG 44 57.188 32.633 7.624
345 HH11 ARG 44 HH12 ARG 44 57.843 34.815 10.256
346 HH12 ARG 44 HH11 ARG 44 58.346 36.114 9.226
347 HH21 ARG 44 HH22 ARG 44 57.847 34.336 6.257
348 HH22 ARG 44 HH21 ARG 44 58.347 35.841 6.952
349 HN1 NH2 45 HN1 NH2 45 55.316 27.324 10.284
350 HN2 NH2 45 HN2 NH2 45 56.897 26.672 10.005
Start of MODEL 18
1 H1 ACE 1 H1 ACE 1 -2.532 4.516 4.161
2 H2 ACE 1 H2 ACE 1 -2.714 4.655 5.927
3 H3 ACE 1 H3 ACE 1 -1.482 5.621 5.080
4 H SER 2 H SER 2 0.405 4.721 4.480
5 HA SER 2 HA SER 2 1.429 2.637 6.033
6 HB2 SER 2 HB2 SER 2 -0.110 1.590 4.005
7 HB3 SER 2 HB3 SER 2 1.510 1.552 3.309
8 HG SER 2 HG SER 2 2.202 0.332 5.052
9 H LYS 3 H LYS 3 1.613 4.459 3.041
10 HA LYS 3 HA LYS 3 4.260 4.105 2.340
11 HB2 LYS 3 HB2 LYS 3 2.183 6.063 1.815
12 HB3 LYS 3 HB3 LYS 3 3.771 6.815 1.880
13 HG2 LYS 3 HG2 LYS 3 4.167 6.131 -0.183
14 HG3 LYS 3 HG3 LYS 3 4.024 4.454 0.349
15 HD2 LYS 3 HD2 LYS 3 1.477 4.850 0.134
16 HD3 LYS 3 HD3 LYS 3 1.938 6.244 -0.847
17 HE2 LYS 3 HE2 LYS 3 3.455 3.979 -1.688
18 HE3 LYS 3 HE3 LYS 3 1.752 3.528 -1.623
19 HZ1 LYS 3 HZ1 LYS 3 1.805 4.414 -3.687
20 HZ2 LYS 3 HZ2 LYS 3 3.100 5.449 -3.353
21 HZ3 LYS 3 HZ3 LYS 3 1.540 5.854 -2.839
22 H LEU 4 H LEU 4 2.947 6.652 4.464
23 HA LEU 4 HA LEU 4 3.949 8.015 5.993
24 HB2 LEU 4 HB2 LEU 4 4.035 5.753 7.073
25 HB3 LEU 4 HB3 LEU 4 5.697 5.616 6.503
26 HG LEU 4 HG LEU 4 5.758 7.989 7.858
27 HD11 LEU 4 HD11 LEU 4 3.415 7.510 8.627
28 HD12 LEU 4 HD12 LEU 4 4.594 7.772 9.912
29 HD13 LEU 4 HD13 LEU 4 4.068 6.135 9.519
30 HD21 LEU 4 HD21 LEU 4 7.510 6.543 8.216
31 HD22 LEU 4 HD22 LEU 4 6.453 5.169 8.544
32 HD23 LEU 4 HD23 LEU 4 6.658 6.435 9.756
33 H LEU 5 H LEU 5 4.972 8.299 3.386
34 HA LEU 5 HA LEU 5 7.800 8.288 3.309
35 HB2 LEU 5 HB2 LEU 5 7.613 9.472 1.280
36 HB3 LEU 5 HB3 LEU 5 6.236 8.375 1.344
37 HG LEU 5 HG LEU 5 5.179 10.666 2.393
38 HD11 LEU 5 HD11 LEU 5 7.128 11.451 0.232
39 HD12 LEU 5 HD12 LEU 5 7.154 11.975 1.915
40 HD13 LEU 5 HD13 LEU 5 5.835 12.474 0.857
41 HD21 LEU 5 HD21 LEU 5 5.217 10.102 -0.557
42 HD22 LEU 5 HD22 LEU 5 3.909 10.767 0.421
43 HD23 LEU 5 HD23 LEU 5 4.357 9.069 0.585
44 H LEU 6 H LEU 6 5.455 10.550 4.526
45 HA LEU 6 HA LEU 6 7.033 12.870 4.597
46 HB2 LEU 6 HB2 LEU 6 4.591 11.905 5.953
47 HB3 LEU 6 HB3 LEU 6 5.461 13.216 6.747
48 HG LEU 6 HG LEU 6 3.587 13.955 5.282
49 HD11 LEU 6 HD11 LEU 6 5.706 15.287 5.841
50 HD12 LEU 6 HD12 LEU 6 4.705 15.843 4.500
51 HD13 LEU 6 HD13 LEU 6 6.191 14.948 4.179
52 HD21 LEU 6 HD21 LEU 6 3.950 13.917 2.850
53 HD22 LEU 6 HD22 LEU 6 3.782 12.296 3.526
54 HD23 LEU 6 HD23 LEU 6 5.378 12.911 3.091
55 H ASN 7 H ASN 7 6.432 10.444 7.138
56 HA ASN 7 HA ASN 7 8.067 11.519 9.106
57 HB2 ASN 7 HB2 ASN 7 6.450 9.428 9.088
58 HB3 ASN 7 HB3 ASN 7 7.944 8.550 8.776
59 HD21 ASN 7 HD21 ASN 7 5.942 9.178 11.135
60 HD22 ASN 7 HD22 ASN 7 7.020 9.334 12.476
61 H GLY 8 H GLY 8 8.900 9.745 6.230
62 HA2 GLY 8 HA2 GLY 8 11.581 9.120 7.056
63 HA3 GLY 8 HA3 GLY 8 10.922 8.953 5.435
64 H PHE 9 H PHE 9 10.127 11.553 4.918
65 HA PHE 9 HA PHE 9 12.621 12.738 4.216
66 HB2 PHE 9 HB2 PHE 9 10.283 12.852 3.026
67 HB3 PHE 9 HB3 PHE 9 10.036 14.244 4.075
68 HD1 PHE 9 HD1 PHE 9 12.854 12.929 2.005
69 HD2 PHE 9 HD2 PHE 9 10.383 16.242 3.022
70 HE1 PHE 9 HE1 PHE 9 14.097 14.338 0.417
71 HE2 PHE 9 HE2 PHE 9 11.621 17.657 1.435
72 HZ PHE 9 HZ PHE 9 13.480 16.705 0.129
73 H ASP 10 H ASP 10 10.794 12.813 7.025
74 HA ASP 10 HA ASP 10 11.489 15.513 7.811
75 HB2 ASP 10 HB2 ASP 10 9.709 13.417 8.774
76 HB3 ASP 10 HB3 ASP 10 10.604 14.181 10.084
77 H ASP 11 H ASP 11 12.796 12.338 8.093
78 HA ASP 11 HA ASP 11 14.589 13.102 10.265
79 HB2 ASP 11 HB2 ASP 11 13.671 10.571 9.076
80 HB3 ASP 11 HB3 ASP 11 15.376 10.592 9.520
81 H VAL 12 H VAL 12 14.509 13.364 6.961
82 HA VAL 12 HA VAL 12 17.426 13.110 6.681
83 HB VAL 12 HB VAL 12 15.897 11.878 5.074
84 HG11 VAL 12 HG11 VAL 12 14.895 13.138 3.267
85 HG12 VAL 12 HG12 VAL 12 14.256 13.702 4.812
86 HG13 VAL 12 HG13 VAL 12 15.477 14.650 3.962
87 HG21 VAL 12 HG21 VAL 12 17.415 12.084 3.327
88 HG22 VAL 12 HG22 VAL 12 17.660 13.807 3.610
89 HG23 VAL 12 HG23 VAL 12 18.347 12.624 4.723
90 H HIS 13 H HIS 13 14.822 15.361 6.746
91 HA HIS 13 HA HIS 13 16.262 17.484 5.423
92 HB2 HIS 13 HB2 HIS 13 13.581 16.985 5.999
93 HB3 HIS 13 HB3 HIS 13 14.002 18.346 7.035
94 HD1 HIS 13 HD1 HIS 13 14.397 20.598 5.918
95 HD2 HIS 13 HD2 HIS 13 13.755 17.510 3.214
96 HE1 HIS 13 HE1 HIS 13 14.081 21.714 3.686
97 H PHE 14 H PHE 14 16.067 16.203 8.581
98 HA PHE 14 HA PHE 14 16.887 18.659 9.892
99 HB2 PHE 14 HB2 PHE 14 16.338 17.642 11.853
100 HB3 PHE 14 HB3 PHE 14 15.423 16.582 10.785
101 HD1 PHE 14 HD1 PHE 14 18.391 16.898 12.893
102 HD2 PHE 14 HD2 PHE 14 16.155 14.326 10.344
103 HE1 PHE 14 HE1 PHE 14 19.663 14.967 13.733
104 HE2 PHE 14 HE2 PHE 14 17.423 12.390 11.180
105 HZ PHE 14 HZ PHE 14 19.179 12.709 12.877
106 H LEU 15 H LEU 15 18.325 15.878 8.474
107 HA LEU 15 HA LEU 15 20.718 15.680 9.891
108 HB2 LEU 15 HB2 LEU 15 19.712 14.242 7.960
109 HB3 LEU 15 HB3 LEU 15 20.649 15.318 6.926
110 HG LEU 15 HG LEU 15 21.819 13.213 7.375
111 HD11 LEU 15 HD11 LEU 15 23.444 15.145 8.902
112 HD12 LEU 15 HD12 LEU 15 22.879 15.676 7.318
113 HD13 LEU 15 HD13 LEU 15 23.843 14.207 7.462
114 HD21 LEU 15 HD21 LEU 15 22.433 12.487 9.497
115 HD22 LEU 15 HD22 LEU 15 20.777 13.048 9.726
116 HD23 LEU 15 HD23 LEU 15 22.130 14.061 10.232
117 H GLY 16 H GLY 16 19.947 17.638 7.020
118 HA2 GLY 16 HA2 GLY 16 22.450 18.779 6.610
119 HA3 GLY 16 HA3 GLY 16 20.923 19.541 6.189
120 H SER 17 H SER 17 19.728 20.287 8.359
121 HA SER 17 HA SER 17 21.082 22.515 9.284
122 HB2 SER 17 HB2 SER 17 18.668 22.322 9.482
123 HB3 SER 17 HB3 SER 17 18.836 20.980 10.614
124 HG SER 17 HG SER 17 19.175 23.706 11.018
125 H ASN 18 H ASN 18 21.030 19.249 10.558
126 HA ASN 18 HA ASN 18 22.243 19.819 13.052
127 HB2 ASN 18 HB2 ASN 18 21.076 17.618 11.981
128 HB3 ASN 18 HB3 ASN 18 22.775 17.175 11.840
129 HD21 ASN 18 HD21 ASN 18 20.168 16.912 13.755
130 HD22 ASN 18 HD22 ASN 18 20.934 16.714 15.291
131 H VAL 19 H VAL 19 23.554 18.749 9.932
132 HA VAL 19 HA VAL 19 26.233 18.503 10.735
133 HB VAL 19 HB VAL 19 25.288 19.305 7.983
134 HG11 VAL 19 HG11 VAL 19 27.308 18.165 7.229
135 HG12 VAL 19 HG12 VAL 19 27.701 19.470 8.350
136 HG13 VAL 19 HG13 VAL 19 27.732 17.794 8.899
137 HG21 VAL 19 HG21 VAL 19 25.753 16.549 8.049
138 HG22 VAL 19 HG22 VAL 19 24.777 16.897 9.476
139 HG23 VAL 19 HG23 VAL 19 24.200 17.367 7.877
140 H MET 20 H MET 20 24.294 21.277 10.043
141 HA MET 20 HA MET 20 26.577 23.035 9.687
142 HB2 MET 20 HB2 MET 20 24.554 23.447 8.380
143 HB3 MET 20 HB3 MET 20 23.618 23.633 9.857
144 HG2 MET 20 HG2 MET 20 25.216 25.544 10.416
145 HG3 MET 20 HG3 MET 20 25.709 25.453 8.726
146 HE1 MET 20 HE1 MET 20 23.132 28.091 10.455
147 HE2 MET 20 HE2 MET 20 22.058 26.735 10.802
148 HE3 MET 20 HE3 MET 20 23.753 26.665 11.287
149 H GLU 21 H GLU 21 24.183 22.248 12.141
150 HA GLU 21 HA GLU 21 24.913 24.348 13.927
151 HB2 GLU 21 HB2 GLU 21 22.727 23.417 14.150
152 HB3 GLU 21 HB3 GLU 21 23.367 21.787 14.303
153 HG2 GLU 21 HG2 GLU 21 23.695 21.996 16.496
154 HG3 GLU 21 HG3 GLU 21 24.375 23.615 16.334
155 H GLU 22 H GLU 22 26.097 21.148 13.297
156 HA GLU 22 HA GLU 22 27.578 20.956 15.769
157 HB2 GLU 22 HB2 GLU 22 28.462 18.873 14.833
158 HB3 GLU 22 HB3 GLU 22 26.709 18.932 14.709
159 HG2 GLU 22 HG2 GLU 22 27.285 18.123 12.648
160 HG3 GLU 22 HG3 GLU 22 27.177 19.852 12.324
161 H GLN 23 H GLN 23 28.178 21.893 12.450
162 HA GLN 23 HA GLN 23 31.043 22.077 12.860
163 HB2 GLN 23 HB2 GLN 23 29.401 21.738 10.629
164 HB3 GLN 23 HB3 GLN 23 30.058 23.359 10.451
165 HG2 GLN 23 HG2 GLN 23 32.334 22.288 10.902
166 HG3 GLN 23 HG3 GLN 23 31.523 20.752 10.603
167 HE21 GLN 23 HE21 GLN 23 30.144 20.805 8.536
168 HE22 GLN 23 HE22 GLN 23 30.915 21.479 7.145
169 H ASP 24 H ASP 24 28.284 24.077 13.172
170 HA ASP 24 HA ASP 24 29.684 26.578 12.854
171 HB2 ASP 24 HB2 ASP 24 27.287 26.382 12.306
172 HB3 ASP 24 HB3 ASP 24 26.938 26.017 13.994
173 H LEU 25 H LEU 25 28.900 24.398 15.442
174 HA LEU 25 HA LEU 25 29.494 26.308 17.527
175 HB2 LEU 25 HB2 LEU 25 28.880 24.663 19.042
176 HB3 LEU 25 HB3 LEU 25 27.847 24.349 17.648
177 HG LEU 25 HG LEU 25 29.830 22.666 17.064
178 HD11 LEU 25 HD11 LEU 25 31.304 22.449 18.708
179 HD12 LEU 25 HD12 LEU 25 30.018 21.737 19.682
180 HD13 LEU 25 HD13 LEU 25 30.347 23.467 19.784
181 HD21 LEU 25 HD21 LEU 25 28.400 20.967 17.684
182 HD22 LEU 25 HD22 LEU 25 27.299 22.341 17.580
183 HD23 LEU 25 HD23 LEU 25 27.881 21.793 19.153
184 H ARG 26 H ARG 26 31.180 23.913 15.680
185 HA ARG 26 HA ARG 26 33.454 23.888 17.500
186 HB2 ARG 26 HB2 ARG 26 34.377 22.182 16.078
187 HB3 ARG 26 HB3 ARG 26 32.685 21.802 16.372
188 HG2 ARG 26 HG2 ARG 26 32.558 21.511 14.167
189 HG3 ARG 26 HG3 ARG 26 32.550 23.274 14.075
190 HD2 ARG 26 HD2 ARG 26 34.203 22.297 12.556
191 HD3 ARG 26 HD3 ARG 26 34.966 23.288 13.799
192 HE ARG 26 HE ARG 26 35.982 21.407 14.643
193 HH11 ARG 26 HH12 ARG 26 33.523 20.487 12.356
194 HH12 ARG 26 HH11 ARG 26 34.004 18.823 12.310
195 HH21 ARG 26 HH22 ARG 26 36.624 19.219 14.591
196 HH22 ARG 26 HH21 ARG 26 35.767 18.103 13.583
197 H ASP 27 H ASP 27 32.470 25.265 14.451
198 HA ASP 27 HA ASP 27 34.955 26.010 13.417
199 HB2 ASP 27 HB2 ASP 27 33.084 26.220 11.985
200 HB3 ASP 27 HB3 ASP 27 32.205 27.211 13.146
201 H ILE 28 H ILE 28 32.857 27.622 15.754
202 HA ILE 28 HA ILE 28 34.133 30.078 15.932
203 HB ILE 28 HB ILE 28 32.859 28.518 18.183
204 HG12 ILE 28 HG12 ILE 28 31.375 28.883 16.235
205 HG13 ILE 28 HG13 ILE 28 30.838 29.771 17.657
206 HG21 ILE 28 HG21 ILE 28 32.439 30.960 18.976
207 HG22 ILE 28 HG22 ILE 28 34.000 30.198 19.278
208 HG23 ILE 28 HG23 ILE 28 33.818 31.336 17.943
209 HD11 ILE 28 HD11 ILE 28 30.657 31.070 15.582
210 HD12 ILE 28 HD12 ILE 28 31.736 31.819 16.759
211 HD13 ILE 28 HD13 ILE 28 32.404 30.953 15.376
212 H GLY 29 H GLY 29 35.143 26.965 17.086
213 HA2 GLY 29 HA2 GLY 29 37.192 28.087 18.824
214 HA3 GLY 29 HA3 GLY 29 36.859 26.381 18.571
215 H ILE 30 H ILE 30 36.902 26.898 15.589
216 HA ILE 30 HA ILE 30 39.795 26.612 15.308
217 HB ILE 30 HB ILE 30 37.717 26.208 13.162
218 HG12 ILE 30 HG12 ILE 30 38.874 24.152 15.058
219 HG13 ILE 30 HG13 ILE 30 37.226 24.767 15.107
220 HG21 ILE 30 HG21 ILE 30 39.983 24.514 12.933
221 HG22 ILE 30 HG22 ILE 30 39.458 25.802 11.851
222 HG23 ILE 30 HG23 ILE 30 40.551 26.164 13.187
223 HD11 ILE 30 HD11 ILE 30 36.730 23.769 12.990
224 HD12 ILE 30 HD12 ILE 30 38.415 23.292 12.773
225 HD13 ILE 30 HD13 ILE 30 37.445 22.547 14.042
226 H SER 31 H SER 31 37.484 29.008 15.027
227 HA SER 31 HA SER 31 39.105 30.494 13.065
228 HB2 SER 31 HB2 SER 31 36.268 30.089 13.262
229 HB3 SER 31 HB3 SER 31 36.625 31.807 13.438
230 HG SER 31 HG SER 31 36.405 30.665 11.212
231 H ASP 32 H ASP 32 38.681 30.184 16.267
232 HA ASP 32 HA ASP 32 38.195 32.652 17.366
233 HB2 ASP 32 HB2 ASP 32 39.507 30.219 18.196
234 HB3 ASP 32 HB3 ASP 32 40.361 31.621 18.836
235 HA PRO 33 HA PRO 33 41.417 35.411 16.255
236 HB2 PRO 33 HB2 PRO 33 41.829 36.779 18.564
237 HB3 PRO 33 HB3 PRO 33 40.384 36.990 17.567
238 HG2 PRO 33 HG2 PRO 33 40.751 35.357 20.049
239 HG3 PRO 33 HG3 PRO 33 39.399 36.408 19.592
240 HD2 PRO 33 HD2 PRO 33 39.303 33.715 19.330
241 HD3 PRO 33 HD3 PRO 33 38.458 34.813 18.220
242 H GLN 34 H GLN 34 41.999 33.880 19.420
243 HA GLN 34 HA GLN 34 44.737 34.289 19.583
244 HB2 GLN 34 HB2 GLN 34 44.694 32.117 20.960
245 HB3 GLN 34 HB3 GLN 34 43.717 33.467 21.521
246 HG2 GLN 34 HG2 GLN 34 41.726 32.461 20.860
247 HG3 GLN 34 HG3 GLN 34 42.546 31.332 19.783
248 HE21 GLN 34 HE21 GLN 34 42.606 29.338 20.499
249 HE22 GLN 34 HE22 GLN 34 42.637 28.843 22.154
250 H HIS 35 H HIS 35 42.954 32.167 17.541
251 HA HIS 35 HA HIS 35 44.932 30.230 17.012
252 HB2 HIS 35 HB2 HIS 35 42.310 30.708 16.192
253 HB3 HIS 35 HB3 HIS 35 43.256 30.813 14.710
254 HD1 HIS 35 HD1 HIS 35 41.422 28.533 14.720
255 HD2 HIS 35 HD2 HIS 35 45.167 28.283 16.503
256 HE1 HIS 35 HE1 HIS 35 41.959 26.078 14.816
257 H ARG 36 H ARG 36 43.888 32.867 14.845
258 HA ARG 36 HA ARG 36 46.074 32.704 13.118
259 HB2 ARG 36 HB2 ARG 36 44.126 34.898 13.761
260 HB3 ARG 36 HB3 ARG 36 45.445 35.172 12.631
261 HG2 ARG 36 HG2 ARG 36 44.560 33.045 11.455
262 HG3 ARG 36 HG3 ARG 36 43.088 33.356 12.377
263 HD2 ARG 36 HD2 ARG 36 42.986 35.617 11.424
264 HD3 ARG 36 HD3 ARG 36 44.440 35.278 10.486
265 HE ARG 36 HE ARG 36 42.435 33.342 9.971
266 HH11 ARG 36 HH12 ARG 36 43.326 36.637 9.285
267 HH12 ARG 36 HH11 ARG 36 42.492 36.684 7.767
268 HH21 ARG 36 HH22 ARG 36 41.332 33.392 7.975
269 HH22 ARG 36 HH21 ARG 36 41.357 34.838 7.024
270 H ARG 37 H ARG 37 45.838 34.017 16.276
271 HA ARG 37 HA ARG 37 48.122 35.772 16.008
272 HB2 ARG 37 HB2 ARG 37 46.529 34.907 18.427
273 HB3 ARG 37 HB3 ARG 37 47.832 36.087 18.463
274 HG2 ARG 37 HG2 ARG 37 45.986 36.856 16.443
275 HG3 ARG 37 HG3 ARG 37 45.091 36.506 17.924
276 HD2 ARG 37 HD2 ARG 37 46.074 38.207 19.084
277 HD3 ARG 37 HD3 ARG 37 47.572 38.117 18.158
278 HE ARG 37 HE ARG 37 45.737 39.027 16.366
279 HH11 ARG 37 HH12 ARG 37 46.790 40.059 19.520
280 HH12 ARG 37 HH11 ARG 37 46.476 41.736 19.219
281 HH21 ARG 37 HH22 ARG 37 45.320 41.232 15.958
282 HH22 ARG 37 HH21 ARG 37 45.639 42.402 17.193
283 H LYS 38 H LYS 38 47.419 32.560 17.227
284 HA LYS 38 HA LYS 38 50.102 32.237 18.295
285 HB2 LYS 38 HB2 LYS 38 48.034 31.280 19.393
286 HB3 LYS 38 HB3 LYS 38 47.943 30.141 18.057
287 HG2 LYS 38 HG2 LYS 38 49.651 28.892 18.826
288 HG3 LYS 38 HG3 LYS 38 50.540 30.290 19.437
289 HD2 LYS 38 HD2 LYS 38 49.913 29.109 21.361
290 HD3 LYS 38 HD3 LYS 38 48.733 30.416 21.246
291 HE2 LYS 38 HE2 LYS 38 47.118 28.892 21.310
292 HE3 LYS 38 HE3 LYS 38 47.681 28.287 19.753
293 HZ1 LYS 38 HZ1 LYS 38 48.958 26.647 20.770
294 HZ2 LYS 38 HZ2 LYS 38 47.528 26.646 21.671
295 HZ3 LYS 38 HZ3 LYS 38 48.914 27.396 22.286
296 H LEU 39 H LEU 39 48.432 31.705 15.367
297 HA LEU 39 HA LEU 39 50.324 29.685 14.440
298 HB2 LEU 39 HB2 LEU 39 47.743 29.787 13.999
299 HB3 LEU 39 HB3 LEU 39 48.214 30.894 12.710
300 HG LEU 39 HG LEU 39 49.821 28.539 12.538
301 HD11 LEU 39 HD11 LEU 39 46.869 28.082 12.858
302 HD12 LEU 39 HD12 LEU 39 48.202 27.259 13.667
303 HD13 LEU 39 HD13 LEU 39 47.908 26.984 11.950
304 HD21 LEU 39 HD21 LEU 39 47.627 29.644 10.787
305 HD22 LEU 39 HD22 LEU 39 48.807 28.424 10.308
306 HD23 LEU 39 HD23 LEU 39 49.339 30.060 10.702
307 H LEU 40 H LEU 40 49.764 33.069 14.280
308 HA LEU 40 HA LEU 40 51.246 33.524 11.859
309 HB2 LEU 40 HB2 LEU 40 49.517 35.074 12.483
310 HB3 LEU 40 HB3 LEU 40 50.298 35.382 14.033
311 HG LEU 40 HG LEU 40 52.170 36.030 12.017
312 HD11 LEU 40 HD11 LEU 40 49.691 37.622 11.548
313 HD12 LEU 40 HD12 LEU 40 49.937 36.112 10.672
314 HD13 LEU 40 HD13 LEU 40 51.111 37.419 10.521
315 HD21 LEU 40 HD21 LEU 40 51.585 38.389 12.935
316 HD22 LEU 40 HD22 LEU 40 52.309 37.192 14.009
317 HD23 LEU 40 HD23 LEU 40 50.573 37.499 14.073
318 H GLN 41 H GLN 41 51.896 33.670 15.321
319 HA GLN 41 HA GLN 41 54.537 34.734 15.011
320 HB2 GLN 41 HB2 GLN 41 52.904 34.771 17.079
321 HB3 GLN 41 HB3 GLN 41 53.691 33.246 17.462
322 HG2 GLN 41 HG2 GLN 41 55.862 34.363 17.455
323 HG3 GLN 41 HG3 GLN 41 55.072 35.892 17.073
324 HE21 GLN 41 HE21 GLN 41 56.712 35.348 19.336
325 HE22 GLN 41 HE22 GLN 41 55.735 35.559 20.745
326 H ALA 42 H ALA 42 53.121 31.585 14.965
327 HA ALA 42 HA ALA 42 55.667 30.236 15.375
328 HB1 ALA 42 HB1 ALA 42 52.922 29.128 14.797
329 HB2 ALA 42 HB2 ALA 42 54.357 28.169 15.162
330 HB3 ALA 42 HB3 ALA 42 53.689 29.255 16.381
331 H ALA 43 H ALA 43 53.546 31.182 12.785
332 HA ALA 43 HA ALA 43 54.810 29.489 10.818
333 HB1 ALA 43 HB1 ALA 43 53.397 30.821 9.214
334 HB2 ALA 43 HB2 ALA 43 52.511 29.939 10.459
335 HB3 ALA 43 HB3 ALA 43 52.756 31.679 10.616
336 H ARG 44 H ARG 44 55.286 32.644 12.121
337 HA ARG 44 HA ARG 44 56.631 33.831 9.931
338 HB2 ARG 44 HB2 ARG 44 55.733 34.740 12.326
339 HB3 ARG 44 HB3 ARG 44 57.460 34.643 12.646
340 HG2 ARG 44 HG2 ARG 44 57.911 36.076 10.733
341 HG3 ARG 44 HG3 ARG 44 56.186 36.150 10.372
342 HD2 ARG 44 HD2 ARG 44 56.304 38.050 11.588
343 HD3 ARG 44 HD3 ARG 44 56.145 36.930 12.940
344 HE ARG 44 HE ARG 44 58.288 37.433 13.556
345 HH11 ARG 44 HH12 ARG 44 57.783 38.463 10.269
346 HH12 ARG 44 HH11 ARG 44 59.308 39.277 10.152
347 HH21 ARG 44 HH22 ARG 44 60.298 38.502 13.415
348 HH22 ARG 44 HH21 ARG 44 60.738 39.298 11.942
349 HN1 NH2 45 HN1 NH2 45 57.685 31.814 12.634
350 HN2 NH2 45 HN2 NH2 45 59.325 31.621 12.111
Start of MODEL 19
1 H1 ACE 1 H1 ACE 1 6.637 12.817 -2.872
2 H2 ACE 1 H2 ACE 1 5.346 13.064 -4.072
3 H3 ACE 1 H3 ACE 1 5.235 13.839 -2.473
4 H SER 2 H SER 2 6.453 11.284 -1.391
5 HA SER 2 HA SER 2 3.958 9.715 -1.366
6 HB2 SER 2 HB2 SER 2 6.624 8.458 -0.804
7 HB3 SER 2 HB3 SER 2 5.139 7.706 -1.386
8 HG SER 2 HG SER 2 5.863 8.001 -3.323
9 H LYS 3 H LYS 3 3.752 8.340 0.635
10 HA LYS 3 HA LYS 3 4.232 10.026 2.949
11 HB2 LYS 3 HB2 LYS 3 2.024 9.135 2.782
12 HB3 LYS 3 HB3 LYS 3 2.631 7.504 2.529
13 HG2 LYS 3 HG2 LYS 3 2.670 7.105 4.707
14 HG3 LYS 3 HG3 LYS 3 3.597 8.574 5.021
15 HD2 LYS 3 HD2 LYS 3 1.650 9.880 5.238
16 HD3 LYS 3 HD3 LYS 3 0.635 8.635 4.506
17 HE2 LYS 3 HE2 LYS 3 0.953 7.203 6.435
18 HE3 LYS 3 HE3 LYS 3 2.059 8.373 7.153
19 HZ1 LYS 3 HZ1 LYS 3 0.288 9.927 7.402
20 HZ2 LYS 3 HZ2 LYS 3 -0.231 8.456 8.055
21 HZ3 LYS 3 HZ3 LYS 3 -0.786 8.949 6.535
22 H LEU 4 H LEU 4 5.108 6.811 1.778
23 HA LEU 4 HA LEU 4 6.420 5.883 4.067
24 HB2 LEU 4 HB2 LEU 4 5.808 4.750 1.765
25 HB3 LEU 4 HB3 LEU 4 7.468 5.190 1.368
26 HG LEU 4 HG LEU 4 8.169 3.914 3.434
27 HD11 LEU 4 HD11 LEU 4 6.550 2.179 4.187
28 HD12 LEU 4 HD12 LEU 4 5.296 3.022 3.280
29 HD13 LEU 4 HD13 LEU 4 6.099 3.826 4.629
30 HD21 LEU 4 HD21 LEU 4 7.708 1.663 2.288
31 HD22 LEU 4 HD22 LEU 4 8.627 2.875 1.397
32 HD23 LEU 4 HD23 LEU 4 6.920 2.620 1.034
33 H LEU 5 H LEU 5 7.393 8.163 1.644
34 HA LEU 5 HA LEU 5 10.196 8.058 2.257
35 HB2 LEU 5 HB2 LEU 5 8.445 9.518 0.425
36 HB3 LEU 5 HB3 LEU 5 9.794 10.475 1.035
37 HG LEU 5 HG LEU 5 10.821 7.964 0.198
38 HD11 LEU 5 HD11 LEU 5 8.576 8.103 -1.133
39 HD12 LEU 5 HD12 LEU 5 10.066 7.624 -1.944
40 HD13 LEU 5 HD13 LEU 5 9.462 9.272 -2.111
41 HD21 LEU 5 HD21 LEU 5 11.021 10.748 -0.944
42 HD22 LEU 5 HD22 LEU 5 12.055 9.393 -1.398
43 HD23 LEU 5 HD23 LEU 5 12.090 10.014 0.253
44 H LEU 6 H LEU 6 7.439 9.972 3.272
45 HA LEU 6 HA LEU 6 8.839 12.042 4.569
46 HB2 LEU 6 HB2 LEU 6 6.302 11.734 3.982
47 HB3 LEU 6 HB3 LEU 6 6.223 11.052 5.606
48 HG LEU 6 HG LEU 6 7.594 13.563 5.702
49 HD11 LEU 6 HD11 LEU 6 5.108 13.475 4.058
50 HD12 LEU 6 HD12 LEU 6 6.560 14.453 3.853
51 HD13 LEU 6 HD13 LEU 6 5.400 14.853 5.119
52 HD21 LEU 6 HD21 LEU 6 4.832 13.003 6.723
53 HD22 LEU 6 HD22 LEU 6 6.101 13.999 7.436
54 HD23 LEU 6 HD23 LEU 6 6.248 12.241 7.449
55 H ASN 7 H ASN 7 7.686 8.896 5.699
56 HA ASN 7 HA ASN 7 8.327 9.244 8.419
57 HB2 ASN 7 HB2 ASN 7 6.912 7.399 7.245
58 HB3 ASN 7 HB3 ASN 7 8.454 6.566 7.066
59 HD21 ASN 7 HD21 ASN 7 8.420 4.977 8.495
60 HD22 ASN 7 HD22 ASN 7 8.057 5.143 10.176
61 H GLY 8 H GLY 8 10.256 8.471 5.639
62 HA2 GLY 8 HA2 GLY 8 12.521 7.648 7.298
63 HA3 GLY 8 HA3 GLY 8 12.440 7.575 5.544
64 H PHE 9 H PHE 9 11.335 10.431 5.662
65 HA PHE 9 HA PHE 9 13.916 11.704 5.419
66 HB2 PHE 9 HB2 PHE 9 11.670 12.034 4.016
67 HB3 PHE 9 HB3 PHE 9 11.395 13.278 5.232
68 HD1 PHE 9 HD1 PHE 9 14.232 12.085 3.115
69 HD2 PHE 9 HD2 PHE 9 12.027 15.392 4.638
70 HE1 PHE 9 HE1 PHE 9 15.682 13.626 1.859
71 HE2 PHE 9 HE2 PHE 9 13.473 16.938 3.383
72 HZ PHE 9 HZ PHE 9 15.302 16.055 1.991
73 H ASP 10 H ASP 10 11.340 11.545 7.727
74 HA ASP 10 HA ASP 10 11.642 13.887 9.156
75 HB2 ASP 10 HB2 ASP 10 9.964 11.991 9.522
76 HB3 ASP 10 HB3 ASP 10 11.216 11.218 10.490
77 H ASP 11 H ASP 11 13.378 10.819 9.658
78 HA ASP 11 HA ASP 11 15.011 11.678 11.758
79 HB2 ASP 11 HB2 ASP 11 14.849 9.389 9.998
80 HB3 ASP 11 HB3 ASP 11 16.529 9.839 10.278
81 H VAL 12 H VAL 12 15.230 12.207 8.329
82 HA VAL 12 HA VAL 12 17.974 13.076 8.373
83 HB VAL 12 HB VAL 12 15.894 13.480 6.220
84 HG11 VAL 12 HG11 VAL 12 18.893 13.748 6.236
85 HG12 VAL 12 HG12 VAL 12 17.931 13.654 4.760
86 HG13 VAL 12 HG13 VAL 12 17.697 14.995 5.882
87 HG21 VAL 12 HG21 VAL 12 17.440 11.141 7.046
88 HG22 VAL 12 HG22 VAL 12 16.000 11.249 6.034
89 HG23 VAL 12 HG23 VAL 12 17.593 11.530 5.333
90 H HIS 13 H HIS 13 14.795 14.620 8.297
91 HA HIS 13 HA HIS 13 15.575 17.258 7.903
92 HB2 HIS 13 HB2 HIS 13 13.198 15.877 8.690
93 HB3 HIS 13 HB3 HIS 13 13.422 17.259 9.759
94 HD1 HIS 13 HD1 HIS 13 12.247 19.252 8.922
95 HD2 HIS 13 HD2 HIS 13 13.620 16.866 5.810
96 HE1 HIS 13 HE1 HIS 13 11.527 20.417 6.813
97 H PHE 14 H PHE 14 15.876 15.238 10.698
98 HA PHE 14 HA PHE 14 16.382 17.453 12.498
99 HB2 PHE 14 HB2 PHE 14 15.240 15.279 13.166
100 HB3 PHE 14 HB3 PHE 14 16.826 14.523 13.063
101 HD1 PHE 14 HD2 PHE 14 15.688 17.798 14.435
102 HD2 PHE 14 HD1 PHE 14 17.572 14.055 15.183
103 HE1 PHE 14 HE2 PHE 14 16.170 18.505 16.742
104 HE2 PHE 14 HE1 PHE 14 18.056 14.756 17.491
105 HZ PHE 14 HZ PHE 14 17.356 16.984 18.273
106 H LEU 15 H LEU 15 18.206 14.905 10.869
107 HA LEU 15 HA LEU 15 20.692 15.359 12.080
108 HB2 LEU 15 HB2 LEU 15 19.651 13.860 9.852
109 HB3 LEU 15 HB3 LEU 15 21.198 14.594 9.434
110 HG LEU 15 HG LEU 15 21.413 12.285 10.275
111 HD11 LEU 15 HD11 LEU 15 22.628 14.152 12.281
112 HD12 LEU 15 HD12 LEU 15 23.144 14.145 10.595
113 HD13 LEU 15 HD13 LEU 15 23.308 12.687 11.573
114 HD21 LEU 15 HD21 LEU 15 20.564 13.374 12.949
115 HD22 LEU 15 HD22 LEU 15 20.913 11.700 12.514
116 HD23 LEU 15 HD23 LEU 15 19.474 12.496 11.875
117 H GLY 16 H GLY 16 19.094 16.929 9.371
118 HA2 GLY 16 HA2 GLY 16 21.325 18.360 8.393
119 HA3 GLY 16 HA3 GLY 16 19.639 18.790 8.141
120 H SER 17 H SER 17 18.899 19.161 10.840
121 HA SER 17 HA SER 17 19.908 21.819 11.231
122 HB2 SER 17 HB2 SER 17 17.857 20.111 12.610
123 HB3 SER 17 HB3 SER 17 18.400 21.617 13.349
124 HG SER 17 HG SER 17 16.696 21.236 11.281
125 H ASN 18 H ASN 18 20.445 18.679 12.655
126 HA ASN 18 HA ASN 18 21.834 19.665 14.964
127 HB2 ASN 18 HB2 ASN 18 20.802 17.177 14.105
128 HB3 ASN 18 HB3 ASN 18 22.533 16.947 14.338
129 HD21 ASN 18 HD21 ASN 18 20.251 15.923 15.859
130 HD22 ASN 18 HD22 ASN 18 20.503 16.439 17.489
131 H VAL 19 H VAL 19 22.761 18.348 11.818
132 HA VAL 19 HA VAL 19 25.548 18.276 12.307
133 HB VAL 19 HB VAL 19 24.142 17.196 10.382
134 HG11 VAL 19 HG11 VAL 19 25.132 19.541 8.821
135 HG12 VAL 19 HG12 VAL 19 23.874 18.370 8.417
136 HG13 VAL 19 HG13 VAL 19 23.561 19.624 9.618
137 HG21 VAL 19 HG21 VAL 19 26.943 18.062 10.533
138 HG22 VAL 19 HG22 VAL 19 26.263 16.462 10.235
139 HG23 VAL 19 HG23 VAL 19 26.388 17.626 8.916
140 H MET 20 H MET 20 23.364 20.824 11.497
141 HA MET 20 HA MET 20 25.467 22.608 10.587
142 HB2 MET 20 HB2 MET 20 23.434 22.910 9.430
143 HB3 MET 20 HB3 MET 20 22.488 22.882 10.913
144 HG2 MET 20 HG2 MET 20 22.731 25.069 11.244
145 HG3 MET 20 HG3 MET 20 24.449 25.030 10.850
146 HE1 MET 20 HE1 MET 20 21.462 27.024 9.709
147 HE2 MET 20 HE2 MET 20 23.066 27.428 10.322
148 HE3 MET 20 HE3 MET 20 22.637 27.810 8.654
149 H GLU 21 H GLU 21 23.478 22.070 13.432
150 HA GLU 21 HA GLU 21 24.253 24.457 14.784
151 HB2 GLU 21 HB2 GLU 21 22.205 23.419 15.442
152 HB3 GLU 21 HB3 GLU 21 23.004 21.881 15.736
153 HG2 GLU 21 HG2 GLU 21 23.548 22.443 17.815
154 HG3 GLU 21 HG3 GLU 21 24.127 24.033 17.325
155 H GLU 22 H GLU 22 25.591 21.258 14.490
156 HA GLU 22 HA GLU 22 27.413 21.571 16.706
157 HB2 GLU 22 HB2 GLU 22 28.312 19.410 16.011
158 HB3 GLU 22 HB3 GLU 22 26.557 19.353 16.106
159 HG2 GLU 22 HG2 GLU 22 26.888 18.265 14.138
160 HG3 GLU 22 HG3 GLU 22 26.719 19.918 13.550
161 H GLN 23 H GLN 23 27.458 22.009 13.240
162 HA GLN 23 HA GLN 23 30.332 22.393 13.169
163 HB2 GLN 23 HB2 GLN 23 28.483 21.558 11.304
164 HB3 GLN 23 HB3 GLN 23 28.821 23.208 10.799
165 HG2 GLN 23 HG2 GLN 23 31.326 22.265 11.254
166 HG3 GLN 23 HG3 GLN 23 30.502 20.816 10.680
167 HE21 GLN 23 HE21 GLN 23 29.029 21.318 8.718
168 HE22 GLN 23 HE22 GLN 23 29.775 22.241 7.462
169 H ASP 24 H ASP 24 27.501 24.277 13.587
170 HA ASP 24 HA ASP 24 28.651 26.764 12.698
171 HB2 ASP 24 HB2 ASP 24 26.222 26.365 12.573
172 HB3 ASP 24 HB3 ASP 24 26.156 26.246 14.329
173 H LEU 25 H LEU 25 28.356 25.009 15.697
174 HA LEU 25 HA LEU 25 29.137 27.242 17.344
175 HB2 LEU 25 HB2 LEU 25 28.888 25.822 19.167
176 HB3 LEU 25 HB3 LEU 25 27.669 25.266 18.023
177 HG LEU 25 HG LEU 25 29.631 23.588 17.361
178 HD11 LEU 25 HD11 LEU 25 30.320 23.032 19.979
179 HD12 LEU 25 HD12 LEU 25 30.490 24.783 19.859
180 HD13 LEU 25 HD13 LEU 25 31.367 23.734 18.745
181 HD21 LEU 25 HD21 LEU 25 27.237 23.262 18.347
182 HD22 LEU 25 HD22 LEU 25 28.108 22.954 19.849
183 HD23 LEU 25 HD23 LEU 25 28.415 21.952 18.430
184 H ARG 26 H ARG 26 30.707 24.690 15.618
185 HA ARG 26 HA ARG 26 33.222 25.080 17.045
186 HB2 ARG 26 HB2 ARG 26 34.043 23.186 15.832
187 HB3 ARG 26 HB3 ARG 26 32.429 22.791 16.409
188 HG2 ARG 26 HG2 ARG 26 32.226 22.037 14.288
189 HG3 ARG 26 HG3 ARG 26 31.768 23.718 14.009
190 HD2 ARG 26 HD2 ARG 26 33.612 24.143 12.801
191 HD3 ARG 26 HD3 ARG 26 34.651 23.222 13.888
192 HE ARG 26 HE ARG 26 32.964 21.565 12.265
193 HH11 ARG 26 HH12 ARG 26 35.964 23.329 12.373
194 HH12 ARG 26 HH11 ARG 26 36.731 22.354 11.164
195 HH21 ARG 26 HH22 ARG 26 33.964 20.275 10.672
196 HH22 ARG 26 HH21 ARG 26 35.592 20.618 10.196
197 H ASP 27 H ASP 27 31.728 25.734 13.942
198 HA ASP 27 HA ASP 27 33.921 26.411 12.404
199 HB2 ASP 27 HB2 ASP 27 31.899 26.400 11.249
200 HB3 ASP 27 HB3 ASP 27 31.086 27.386 12.461
201 H ILE 28 H ILE 28 32.204 28.362 14.796
202 HA ILE 28 HA ILE 28 33.421 30.821 14.331
203 HB ILE 28 HB ILE 28 32.585 29.713 17.014
204 HG12 ILE 28 HG12 ILE 28 30.996 31.281 14.970
205 HG13 ILE 28 HG13 ILE 28 30.780 29.575 15.346
206 HG21 ILE 28 HG21 ILE 28 33.960 31.708 17.202
207 HG22 ILE 28 HG22 ILE 28 32.920 32.552 16.055
208 HG23 ILE 28 HG23 ILE 28 32.287 32.070 17.629
209 HD11 ILE 28 HD11 ILE 28 30.273 30.306 17.712
210 HD12 ILE 28 HD12 ILE 28 30.182 31.949 17.076
211 HD13 ILE 28 HD13 ILE 28 29.074 30.711 16.484
212 H GLY 29 H GLY 29 34.669 27.950 15.824
213 HA2 GLY 29 HA2 GLY 29 36.928 29.351 17.015
214 HA3 GLY 29 HA3 GLY 29 36.599 27.627 17.113
215 H ILE 30 H ILE 30 36.180 28.222 13.975
216 HA ILE 30 HA ILE 30 38.939 27.463 13.343
217 HB ILE 30 HB ILE 30 36.827 27.426 11.253
218 HG12 ILE 30 HG12 ILE 30 35.656 26.519 13.211
219 HG13 ILE 30 HG13 ILE 30 35.978 25.256 12.028
220 HG21 ILE 30 HG21 ILE 30 38.011 25.420 10.557
221 HG22 ILE 30 HG22 ILE 30 39.137 26.758 10.777
222 HG23 ILE 30 HG23 ILE 30 39.019 25.495 12.002
223 HD11 ILE 30 HD11 ILE 30 37.754 24.378 13.343
224 HD12 ILE 30 HD12 ILE 30 37.690 25.753 14.447
225 HD13 ILE 30 HD13 ILE 30 36.357 24.598 14.397
226 H SER 31 H SER 31 36.504 29.890 12.665
227 HA SER 31 HA SER 31 38.342 31.269 10.842
228 HB2 SER 31 HB2 SER 31 35.485 30.981 10.953
229 HB3 SER 31 HB3 SER 31 35.904 32.692 11.041
230 HG SER 31 HG SER 31 36.311 32.594 8.994
231 H ASP 32 H ASP 32 37.820 31.160 14.034
232 HA ASP 32 HA ASP 32 37.383 33.711 14.966
233 HB2 ASP 32 HB2 ASP 32 38.421 31.278 16.017
234 HB3 ASP 32 HB3 ASP 32 39.496 32.581 16.518
235 HA PRO 33 HA PRO 33 40.745 36.228 13.689
236 HB2 PRO 33 HB2 PRO 33 40.921 37.943 15.786
237 HB3 PRO 33 HB3 PRO 33 39.604 37.997 14.608
238 HG2 PRO 33 HG2 PRO 33 39.651 36.778 17.342
239 HG3 PRO 33 HG3 PRO 33 38.382 37.747 16.571
240 HD2 PRO 33 HD2 PRO 33 38.260 35.047 16.727
241 HD3 PRO 33 HD3 PRO 33 37.570 35.957 15.368
242 H GLN 34 H GLN 34 40.930 35.215 17.101
243 HA GLN 34 HA GLN 34 43.622 35.645 17.547
244 HB2 GLN 34 HB2 GLN 34 41.767 33.529 18.630
245 HB3 GLN 34 HB3 GLN 34 43.419 33.723 19.202
246 HG2 GLN 34 HG2 GLN 34 42.638 36.221 19.530
247 HG3 GLN 34 HG3 GLN 34 41.049 35.461 19.608
248 HE21 GLN 34 HE21 GLN 34 41.503 36.607 21.807
249 HE22 GLN 34 HE22 GLN 34 42.097 35.565 23.051
250 H HIS 35 H HIS 35 42.086 33.199 15.644
251 HA HIS 35 HA HIS 35 43.977 31.182 15.597
252 HB2 HIS 35 HB2 HIS 35 41.651 31.689 14.247
253 HB3 HIS 35 HB3 HIS 35 42.844 31.825 12.959
254 HD1 HIS 35 HD1 HIS 35 40.854 29.541 12.853
255 HD2 HIS 35 HD2 HIS 35 44.560 29.250 14.709
256 HE1 HIS 35 HE1 HIS 35 41.392 27.085 12.899
257 H ARG 36 H ARG 36 44.100 34.352 14.184
258 HA ARG 36 HA ARG 36 46.094 33.941 12.254
259 HB2 ARG 36 HB2 ARG 36 44.853 36.225 13.595
260 HB3 ARG 36 HB3 ARG 36 46.535 36.508 13.168
261 HG2 ARG 36 HG2 ARG 36 45.309 35.302 10.933
262 HG3 ARG 36 HG3 ARG 36 44.226 36.573 11.505
263 HD2 ARG 36 HD2 ARG 36 45.666 38.226 10.960
264 HD3 ARG 36 HD3 ARG 36 47.085 37.277 11.402
265 HE ARG 36 HE ARG 36 45.989 36.178 9.079
266 HH11 ARG 36 HH12 ARG 36 47.568 39.096 10.133
267 HH12 ARG 36 HH11 ARG 36 48.265 39.434 8.583
268 HH21 ARG 36 HH22 ARG 36 46.901 36.612 7.033
269 HH22 ARG 36 HH21 ARG 36 47.884 38.021 6.821
270 H ARG 37 H ARG 37 46.431 35.231 15.566
271 HA ARG 37 HA ARG 37 49.248 35.233 15.560
272 HB2 ARG 37 HB2 ARG 37 49.120 35.748 17.858
273 HB3 ARG 37 HB3 ARG 37 47.681 36.466 17.147
274 HG2 ARG 37 HG2 ARG 37 46.484 35.413 18.681
275 HG3 ARG 37 HG3 ARG 37 46.919 33.890 17.902
276 HD2 ARG 37 HD2 ARG 37 47.648 33.486 20.035
277 HD3 ARG 37 HD3 ARG 37 49.111 34.163 19.320
278 HE ARG 37 HE ARG 37 47.583 36.237 20.443
279 HH11 ARG 37 HH12 ARG 37 49.515 33.501 21.392
280 HH12 ARG 37 HH11 ARG 37 49.984 34.193 22.910
281 HH21 ARG 37 HH22 ARG 37 48.193 37.159 22.439
282 HH22 ARG 37 HH21 ARG 37 49.231 36.273 23.504
283 H LYS 38 H LYS 38 46.981 32.700 15.881
284 HA LYS 38 HA LYS 38 48.808 30.923 17.278
285 HB2 LYS 38 HB2 LYS 38 46.017 30.557 16.188
286 HB3 LYS 38 HB3 LYS 38 46.940 29.248 16.914
287 HG2 LYS 38 HG2 LYS 38 47.164 30.905 18.919
288 HG3 LYS 38 HG3 LYS 38 45.745 31.661 18.190
289 HD2 LYS 38 HD2 LYS 38 45.404 28.811 18.276
290 HD3 LYS 38 HD3 LYS 38 45.823 29.417 19.880
291 HE2 LYS 38 HE2 LYS 38 43.605 29.796 20.022
292 HE3 LYS 38 HE3 LYS 38 44.009 31.263 19.131
293 HZ1 LYS 38 HZ1 LYS 38 42.587 30.566 17.598
294 HZ2 LYS 38 HZ2 LYS 38 42.426 29.044 18.317
295 HZ3 LYS 38 HZ3 LYS 38 43.676 29.329 17.214
296 H LEU 39 H LEU 39 47.804 31.654 14.045
297 HA LEU 39 HA LEU 39 49.043 29.231 12.983
298 HB2 LEU 39 HB2 LEU 39 46.822 30.555 12.216
299 HB3 LEU 39 HB3 LEU 39 48.010 31.288 11.140
300 HG LEU 39 HG LEU 39 48.516 28.603 10.854
301 HD11 LEU 39 HD11 LEU 39 46.630 27.839 12.050
302 HD12 LEU 39 HD12 LEU 39 46.220 27.684 10.342
303 HD13 LEU 39 HD13 LEU 39 45.570 29.024 11.286
304 HD21 LEU 39 HD21 LEU 39 46.513 29.993 9.121
305 HD22 LEU 39 HD22 LEU 39 47.836 28.919 8.664
306 HD23 LEU 39 HD23 LEU 39 48.179 30.566 9.194
307 H LEU 40 H LEU 40 49.756 32.519 13.562
308 HA LEU 40 HA LEU 40 51.738 32.816 11.505
309 HB2 LEU 40 HB2 LEU 40 50.568 34.448 13.612
310 HB3 LEU 40 HB3 LEU 40 52.303 34.704 13.437
311 HG LEU 40 HG LEU 40 51.092 36.340 12.140
312 HD11 LEU 40 HD11 LEU 40 52.531 36.255 10.428
313 HD12 LEU 40 HD12 LEU 40 51.975 34.664 9.910
314 HD13 LEU 40 HD13 LEU 40 53.146 34.804 11.221
315 HD21 LEU 40 HD21 LEU 40 49.050 35.656 11.484
316 HD22 LEU 40 HD22 LEU 40 49.552 33.975 11.305
317 HD23 LEU 40 HD23 LEU 40 49.907 35.142 10.031
318 H GLN 41 H GLN 41 51.790 32.224 15.003
319 HA GLN 41 HA GLN 41 54.642 32.069 15.140
320 HB2 GLN 41 HB2 GLN 41 52.845 32.554 17.010
321 HB3 GLN 41 HB3 GLN 41 52.885 30.806 17.200
322 HG2 GLN 41 HG2 GLN 41 54.956 30.807 18.096
323 HG3 GLN 41 HG3 GLN 41 55.495 32.177 17.126
324 HE21 GLN 41 HE21 GLN 41 53.528 31.269 19.901
325 HE22 GLN 41 HE22 GLN 41 53.693 32.770 20.740
326 H ALA 42 H ALA 42 52.116 29.868 14.351
327 HA ALA 42 HA ALA 42 53.732 27.504 14.832
328 HB1 ALA 42 HB1 ALA 42 51.298 27.490 15.258
329 HB2 ALA 42 HB2 ALA 42 51.020 27.717 13.531
330 HB3 ALA 42 HB3 ALA 42 51.803 26.247 14.113
331 H ALA 43 H ALA 43 52.867 29.608 12.206
332 HA ALA 43 HA ALA 43 53.821 27.763 10.176
333 HB1 ALA 43 HB1 ALA 43 53.122 29.387 8.576
334 HB2 ALA 43 HB2 ALA 43 51.864 29.277 9.808
335 HB3 ALA 43 HB3 ALA 43 52.989 30.635 9.816
336 H ARG 44 H ARG 44 55.019 30.369 12.090
337 HA ARG 44 HA ARG 44 57.141 31.197 10.401
338 HB2 ARG 44 HB2 ARG 44 56.477 31.534 13.296
339 HB3 ARG 44 HB3 ARG 44 58.096 31.940 12.743
340 HG2 ARG 44 HG2 ARG 44 56.240 33.117 10.951
341 HG3 ARG 44 HG3 ARG 44 55.735 33.494 12.600
342 HD2 ARG 44 HD2 ARG 44 58.604 33.790 11.833
343 HD3 ARG 44 HD3 ARG 44 57.446 35.028 11.350
344 HE ARG 44 HE ARG 44 58.482 34.572 13.975
345 HH11 ARG 44 HH12 ARG 44 55.726 35.734 12.193
346 HH12 ARG 44 HH11 ARG 44 55.172 36.766 13.470
347 HH21 ARG 44 HH22 ARG 44 57.763 35.927 15.662
348 HH22 ARG 44 HH21 ARG 44 56.332 36.876 15.442
349 HN1 NH2 45 HN1 NH2 45 56.800 28.691 12.860
350 HN2 NH2 45 HN2 NH2 45 58.363 27.977 12.638
Start of MODEL 20
1 H1 ACE 1 H1 ACE 1 10.542 1.931 0.444
2 H2 ACE 1 H2 ACE 1 11.550 3.166 -0.350
3 H3 ACE 1 H3 ACE 1 10.748 3.531 1.197
4 H SER 2 H SER 2 10.416 5.220 -0.839
5 HA SER 2 HA SER 2 8.888 6.259 -2.177
6 HB2 SER 2 HB2 SER 2 8.828 3.912 -3.269
7 HB3 SER 2 HB3 SER 2 7.312 3.704 -2.394
8 HG SER 2 HG SER 2 6.918 4.535 -4.459
9 H LYS 3 H LYS 3 6.895 3.810 -0.524
10 HA LYS 3 HA LYS 3 4.869 5.673 0.157
11 HB2 LYS 3 HB2 LYS 3 5.249 2.857 0.295
12 HB3 LYS 3 HB3 LYS 3 4.780 3.410 1.897
13 HG2 LYS 3 HG2 LYS 3 3.244 4.307 -0.501
14 HG3 LYS 3 HG3 LYS 3 2.961 2.709 0.194
15 HD2 LYS 3 HD2 LYS 3 2.547 3.786 2.387
16 HD3 LYS 3 HD3 LYS 3 2.723 5.362 1.612
17 HE2 LYS 3 HE2 LYS 3 0.894 4.232 -0.012
18 HE3 LYS 3 HE3 LYS 3 0.499 3.425 1.505
19 HZ1 LYS 3 HZ1 LYS 3 -0.714 5.550 1.077
20 HZ2 LYS 3 HZ2 LYS 3 0.756 6.368 1.255
21 HZ3 LYS 3 HZ3 LYS 3 0.113 5.494 2.553
22 H LEU 4 H LEU 4 7.792 4.643 1.711
23 HA LEU 4 HA LEU 4 7.019 5.943 4.219
24 HB2 LEU 4 HB2 LEU 4 9.279 4.121 3.451
25 HB3 LEU 4 HB3 LEU 4 9.279 5.015 4.970
26 HG LEU 4 HG LEU 4 6.904 3.824 5.203
27 HD11 LEU 4 HD11 LEU 4 6.834 1.656 4.276
28 HD12 LEU 4 HD12 LEU 4 8.501 1.761 3.710
29 HD13 LEU 4 HD13 LEU 4 7.248 2.738 2.946
30 HD21 LEU 4 HD21 LEU 4 9.582 2.571 5.799
31 HD22 LEU 4 HD22 LEU 4 8.048 2.074 6.514
32 HD23 LEU 4 HD23 LEU 4 8.687 3.688 6.830
33 H LEU 5 H LEU 5 7.398 7.618 1.996
34 HA LEU 5 HA LEU 5 10.039 8.748 2.076
35 HB2 LEU 5 HB2 LEU 5 7.708 8.973 0.442
36 HB3 LEU 5 HB3 LEU 5 8.206 10.584 0.951
37 HG LEU 5 HG LEU 5 9.132 9.925 -1.239
38 HD11 LEU 5 HD11 LEU 5 10.329 11.326 0.692
39 HD12 LEU 5 HD12 LEU 5 11.074 11.029 -0.878
40 HD13 LEU 5 HD13 LEU 5 11.515 10.033 0.508
41 HD21 LEU 5 HD21 LEU 5 10.258 8.022 -1.611
42 HD22 LEU 5 HD22 LEU 5 9.479 7.463 -0.130
43 HD23 LEU 5 HD23 LEU 5 11.119 8.112 -0.074
44 H LEU 6 H LEU 6 6.946 9.397 3.576
45 HA LEU 6 HA LEU 6 7.643 11.976 4.586
46 HB2 LEU 6 HB2 LEU 6 5.444 10.020 5.132
47 HB3 LEU 6 HB3 LEU 6 5.654 11.438 6.157
48 HG LEU 6 HG LEU 6 5.369 11.723 3.186
49 HD11 LEU 6 HD11 LEU 6 2.921 12.141 3.686
50 HD12 LEU 6 HD12 LEU 6 3.192 11.305 5.214
51 HD13 LEU 6 HD13 LEU 6 3.449 10.458 3.689
52 HD21 LEU 6 HD21 LEU 6 5.756 13.480 5.354
53 HD22 LEU 6 HD22 LEU 6 4.102 13.719 4.792
54 HD23 LEU 6 HD23 LEU 6 5.450 13.887 3.666
55 H ASN 7 H ASN 7 7.540 8.713 5.979
56 HA ASN 7 HA ASN 7 8.227 9.350 8.597
57 HB2 ASN 7 HB2 ASN 7 8.495 6.918 6.892
58 HB3 ASN 7 HB3 ASN 7 9.371 6.954 8.419
59 HD21 ASN 7 HD21 ASN 7 7.135 5.285 7.571
60 HD22 ASN 7 HD22 ASN 7 5.880 5.546 8.729
61 H GLY 8 H GLY 8 10.182 9.238 5.728
62 HA2 GLY 8 HA2 GLY 8 12.672 9.314 7.241
63 HA3 GLY 8 HA3 GLY 8 12.517 9.270 5.491
64 H PHE 9 H PHE 9 10.638 11.471 5.353
65 HA PHE 9 HA PHE 9 12.508 13.609 5.231
66 HB2 PHE 9 HB2 PHE 9 10.569 13.354 3.685
67 HB3 PHE 9 HB3 PHE 9 9.494 13.748 5.023
68 HD1 PHE 9 HD1 PHE 9 12.589 15.155 3.477
69 HD2 PHE 9 HD2 PHE 9 8.705 15.893 5.054
70 HE1 PHE 9 HE1 PHE 9 12.839 17.549 2.964
71 HE2 PHE 9 HE2 PHE 9 8.949 18.287 4.543
72 HZ PHE 9 HZ PHE 9 11.017 19.118 3.496
73 H ASP 10 H ASP 10 10.545 12.384 7.716
74 HA ASP 10 HA ASP 10 10.230 14.860 9.157
75 HB2 ASP 10 HB2 ASP 10 9.090 12.284 9.284
76 HB3 ASP 10 HB3 ASP 10 9.914 12.531 10.822
77 H ASP 11 H ASP 11 12.576 12.329 8.959
78 HA ASP 11 HA ASP 11 13.876 13.097 11.445
79 HB2 ASP 11 HB2 ASP 11 14.010 10.825 9.598
80 HB3 ASP 11 HB3 ASP 11 15.586 11.345 10.189
81 H VAL 12 H VAL 12 14.288 13.463 7.986
82 HA VAL 12 HA VAL 12 16.940 14.516 8.114
83 HB VAL 12 HB VAL 12 15.887 13.466 6.075
84 HG11 VAL 12 HG11 VAL 12 14.462 14.758 4.668
85 HG12 VAL 12 HG12 VAL 12 13.750 14.764 6.282
86 HG13 VAL 12 HG13 VAL 12 14.630 16.178 5.701
87 HG21 VAL 12 HG21 VAL 12 16.815 15.456 4.572
88 HG22 VAL 12 HG22 VAL 12 17.428 15.999 6.134
89 HG23 VAL 12 HG23 VAL 12 17.879 14.411 5.513
90 H HIS 13 H HIS 13 13.739 15.856 8.373
91 HA HIS 13 HA HIS 13 14.393 18.561 7.854
92 HB2 HIS 13 HB2 HIS 13 12.066 17.167 8.300
93 HB3 HIS 13 HB3 HIS 13 12.214 18.127 9.769
94 HD1 HIS 13 HD1 HIS 13 11.405 20.471 9.625
95 HD2 HIS 13 HD2 HIS 13 12.144 18.840 5.875
96 HE1 HIS 13 HE1 HIS 13 10.613 22.195 7.974
97 H PHE 14 H PHE 14 14.817 16.514 10.601
98 HA PHE 14 HA PHE 14 15.271 18.760 12.402
99 HB2 PHE 14 HB2 PHE 14 14.042 16.703 13.151
100 HB3 PHE 14 HB3 PHE 14 15.547 15.806 12.980
101 HD1 PHE 14 HD1 PHE 14 13.767 18.355 14.915
102 HD2 PHE 14 HD2 PHE 14 17.335 16.061 14.563
103 HE1 PHE 14 HE1 PHE 14 14.401 18.997 17.204
104 HE2 PHE 14 HE2 PHE 14 17.974 16.698 16.851
105 HZ PHE 14 HZ PHE 14 16.507 18.167 18.175
106 H LEU 15 H LEU 15 17.038 16.298 10.655
107 HA LEU 15 HA LEU 15 19.508 16.461 11.937
108 HB2 LEU 15 HB2 LEU 15 18.559 15.636 9.260
109 HB3 LEU 15 HB3 LEU 15 20.279 15.988 9.415
110 HG LEU 15 HG LEU 15 18.754 13.948 11.033
111 HD11 LEU 15 HD11 LEU 15 19.636 13.782 8.404
112 HD12 LEU 15 HD12 LEU 15 19.198 12.442 9.463
113 HD13 LEU 15 HD13 LEU 15 20.880 12.961 9.347
114 HD21 LEU 15 HD21 LEU 15 21.526 15.011 11.139
115 HD22 LEU 15 HD22 LEU 15 21.287 13.285 11.413
116 HD23 LEU 15 HD23 LEU 15 20.472 14.463 12.442
117 H GLY 16 H GLY 16 18.043 18.538 9.514
118 HA2 GLY 16 HA2 GLY 16 20.239 19.983 8.643
119 HA3 GLY 16 HA3 GLY 16 18.616 20.641 8.790
120 H SER 17 H SER 17 18.025 21.078 11.217
121 HA SER 17 HA SER 17 19.542 23.220 12.089
122 HB2 SER 17 HB2 SER 17 17.393 21.550 13.257
123 HB3 SER 17 HB3 SER 17 18.361 22.471 14.407
124 HG SER 17 HG SER 17 17.210 23.638 12.100
125 H ASN 18 H ASN 18 19.905 19.819 12.774
126 HA ASN 18 HA ASN 18 21.659 20.102 14.997
127 HB2 ASN 18 HB2 ASN 18 20.325 17.999 13.803
128 HB3 ASN 18 HB3 ASN 18 22.010 17.664 13.418
129 HD21 ASN 18 HD21 ASN 18 19.705 16.928 15.519
130 HD22 ASN 18 HD22 ASN 18 20.640 16.650 16.946
131 H VAL 19 H VAL 19 22.230 19.326 11.567
132 HA VAL 19 HA VAL 19 25.006 19.177 11.657
133 HB VAL 19 HB VAL 19 23.397 20.254 9.340
134 HG11 VAL 19 HG11 VAL 19 25.624 20.571 8.786
135 HG12 VAL 19 HG12 VAL 19 26.149 19.120 9.641
136 HG13 VAL 19 HG13 VAL 19 25.288 18.979 8.108
137 HG21 VAL 19 HG21 VAL 19 23.341 17.663 10.585
138 HG22 VAL 19 HG22 VAL 19 22.381 18.278 9.240
139 HG23 VAL 19 HG23 VAL 19 23.954 17.541 8.936
140 H MET 20 H MET 20 22.911 21.939 11.730
141 HA MET 20 HA MET 20 25.013 23.821 11.085
142 HB2 MET 20 HB2 MET 20 22.713 24.289 10.392
143 HB3 MET 20 HB3 MET 20 22.190 24.269 12.071
144 HG2 MET 20 HG2 MET 20 23.885 26.164 12.410
145 HG3 MET 20 HG3 MET 20 23.874 26.294 10.653
146 HE1 MET 20 HE1 MET 20 22.535 27.107 13.865
147 HE2 MET 20 HE2 MET 20 21.042 28.011 13.611
148 HE3 MET 20 HE3 MET 20 21.000 26.251 13.718
149 H GLU 21 H GLU 21 23.282 22.693 13.943
150 HA GLU 21 HA GLU 21 24.438 24.576 15.736
151 HB2 GLU 21 HB2 GLU 21 22.381 23.544 16.373
152 HB3 GLU 21 HB3 GLU 21 23.052 21.932 16.166
153 HG2 GLU 21 HG2 GLU 21 23.905 21.898 18.221
154 HG3 GLU 21 HG3 GLU 21 24.522 23.544 18.092
155 H GLU 22 H GLU 22 25.440 21.509 14.453
156 HA GLU 22 HA GLU 22 27.486 21.073 16.437
157 HB2 GLU 22 HB2 GLU 22 28.064 19.118 15.183
158 HB3 GLU 22 HB3 GLU 22 26.310 19.219 15.235
159 HG2 GLU 22 HG2 GLU 22 26.247 20.068 12.981
160 HG3 GLU 22 HG3 GLU 22 28.008 20.117 12.919
161 H GLN 23 H GLN 23 27.255 22.449 13.227
162 HA GLN 23 HA GLN 23 30.128 22.687 12.948
163 HB2 GLN 23 HB2 GLN 23 27.983 22.603 11.165
164 HB3 GLN 23 HB3 GLN 23 28.574 24.257 11.067
165 HG2 GLN 23 HG2 GLN 23 30.880 23.271 10.743
166 HG3 GLN 23 HG3 GLN 23 30.076 21.717 10.525
167 HE21 GLN 23 HE21 GLN 23 28.128 21.928 8.944
168 HE22 GLN 23 HE22 GLN 23 28.488 22.733 7.459
169 H ASP 24 H ASP 24 27.431 24.632 13.959
170 HA ASP 24 HA ASP 24 28.752 27.156 13.752
171 HB2 ASP 24 HB2 ASP 24 26.268 26.866 13.786
172 HB3 ASP 24 HB3 ASP 24 26.385 26.423 15.487
173 H LEU 25 H LEU 25 28.590 24.646 16.153
174 HA LEU 25 HA LEU 25 29.586 26.257 18.310
175 HB2 LEU 25 HB2 LEU 25 28.546 23.623 17.965
176 HB3 LEU 25 HB3 LEU 25 30.097 23.516 18.794
177 HG LEU 25 HG LEU 25 29.300 24.923 20.577
178 HD11 LEU 25 HD11 LEU 25 27.796 26.485 20.085
179 HD12 LEU 25 HD12 LEU 25 26.576 25.217 20.183
180 HD13 LEU 25 HD13 LEU 25 27.285 25.639 18.625
181 HD21 LEU 25 HD21 LEU 25 27.106 23.500 21.095
182 HD22 LEU 25 HD22 LEU 25 28.730 22.824 21.219
183 HD23 LEU 25 HD23 LEU 25 27.758 22.526 19.777
184 H ARG 26 H ARG 26 30.970 24.535 15.681
185 HA ARG 26 HA ARG 26 33.623 24.551 16.928
186 HB2 ARG 26 HB2 ARG 26 34.309 22.989 15.309
187 HB3 ARG 26 HB3 ARG 26 32.679 22.492 15.742
188 HG2 ARG 26 HG2 ARG 26 31.787 23.446 13.734
189 HG3 ARG 26 HG3 ARG 26 33.348 24.163 13.330
190 HD2 ARG 26 HD2 ARG 26 34.322 21.952 13.078
191 HD3 ARG 26 HD3 ARG 26 32.799 21.206 13.559
192 HE ARG 26 HE ARG 26 31.974 21.589 11.449
193 HH11 ARG 26 HH12 ARG 26 34.930 23.373 11.890
194 HH12 ARG 26 HH11 ARG 26 35.063 23.819 10.221
195 HH21 ARG 26 HH22 ARG 26 32.137 22.169 9.249
196 HH22 ARG 26 HH21 ARG 26 33.473 23.135 8.720
197 H ASP 27 H ASP 27 31.736 26.018 14.399
198 HA ASP 27 HA ASP 27 33.670 27.096 12.753
199 HB2 ASP 27 HB2 ASP 27 31.485 27.444 12.029
200 HB3 ASP 27 HB3 ASP 27 30.954 28.043 13.598
201 H ILE 28 H ILE 28 32.490 28.312 15.856
202 HA ILE 28 HA ILE 28 33.789 30.774 15.890
203 HB ILE 28 HB ILE 28 33.324 28.984 18.277
204 HG12 ILE 28 HG12 ILE 28 31.252 29.257 17.028
205 HG13 ILE 28 HG13 ILE 28 31.182 30.208 18.508
206 HG21 ILE 28 HG21 ILE 28 34.043 31.851 17.928
207 HG22 ILE 28 HG22 ILE 28 33.003 31.396 19.277
208 HG23 ILE 28 HG23 ILE 28 34.608 30.682 19.121
209 HD11 ILE 28 HD11 ILE 28 30.253 31.510 16.757
210 HD12 ILE 28 HD12 ILE 28 31.827 32.202 17.150
211 HD13 ILE 28 HD13 ILE 28 31.638 31.202 15.710
212 H GLY 29 H GLY 29 35.054 27.574 16.269
213 HA2 GLY 29 HA2 GLY 29 37.562 28.530 17.411
214 HA3 GLY 29 HA3 GLY 29 37.129 26.855 17.103
215 H ILE 30 H ILE 30 36.275 28.337 14.359
216 HA ILE 30 HA ILE 30 38.843 27.704 13.090
217 HB ILE 30 HB ILE 30 36.447 28.264 11.433
218 HG12 ILE 30 HG12 ILE 30 35.509 26.927 13.272
219 HG13 ILE 30 HG13 ILE 30 35.550 26.008 11.771
220 HG21 ILE 30 HG21 ILE 30 37.432 26.119 10.345
221 HG22 ILE 30 HG22 ILE 30 38.279 27.655 10.166
222 HG23 ILE 30 HG23 ILE 30 38.837 26.473 11.350
223 HD11 ILE 30 HD11 ILE 30 36.228 24.758 13.830
224 HD12 ILE 30 HD12 ILE 30 37.397 24.727 12.509
225 HD13 ILE 30 HD13 ILE 30 37.660 25.784 13.895
226 H SER 31 H SER 31 36.499 30.266 13.521
227 HA SER 31 HA SER 31 38.086 32.052 11.818
228 HB2 SER 31 HB2 SER 31 35.277 31.799 12.370
229 HB3 SER 31 HB3 SER 31 35.818 33.413 12.828
230 HG SER 31 HG SER 31 35.237 32.648 10.442
231 H ASP 32 H ASP 32 38.100 31.094 14.914
232 HA ASP 32 HA ASP 32 38.008 33.314 16.539
233 HB2 ASP 32 HB2 ASP 32 39.018 30.659 16.722
234 HB3 ASP 32 HB3 ASP 32 40.255 31.748 17.346
235 HA PRO 33 HA PRO 33 41.297 35.981 15.379
236 HB2 PRO 33 HB2 PRO 33 41.934 37.073 17.782
237 HB3 PRO 33 HB3 PRO 33 40.452 37.476 16.906
238 HG2 PRO 33 HG2 PRO 33 40.848 35.575 19.184
239 HG3 PRO 33 HG3 PRO 33 39.547 36.750 18.921
240 HD2 PRO 33 HD2 PRO 33 39.252 34.110 18.398
241 HD3 PRO 33 HD3 PRO 33 38.422 35.368 17.460
242 H GLN 34 H GLN 34 41.955 34.101 18.335
243 HA GLN 34 HA GLN 34 44.707 34.317 18.398
244 HB2 GLN 34 HB2 GLN 34 42.891 32.053 19.213
245 HB3 GLN 34 HB3 GLN 34 44.625 32.022 19.506
246 HG2 GLN 34 HG2 GLN 34 44.495 33.925 20.932
247 HG3 GLN 34 HG3 GLN 34 42.810 34.204 20.496
248 HE21 GLN 34 HE21 GLN 34 41.233 32.669 21.202
249 HE22 GLN 34 HE22 GLN 34 41.510 31.731 22.626
250 H HIS 35 H HIS 35 42.704 32.474 16.252
251 HA HIS 35 HA HIS 35 44.392 30.493 15.353
252 HB2 HIS 35 HB2 HIS 35 41.946 31.442 14.584
253 HB3 HIS 35 HB3 HIS 35 42.942 31.881 13.200
254 HD1 HIS 35 HD1 HIS 35 40.780 29.795 12.815
255 HD2 HIS 35 HD2 HIS 35 44.680 28.858 13.898
256 HE1 HIS 35 HE1 HIS 35 41.115 27.402 12.117
257 H ARG 36 H ARG 36 44.217 33.860 14.225
258 HA ARG 36 HA ARG 36 46.207 33.663 12.257
259 HB2 ARG 36 HB2 ARG 36 45.152 35.979 13.865
260 HB3 ARG 36 HB3 ARG 36 46.417 36.188 12.662
261 HG2 ARG 36 HG2 ARG 36 43.785 34.907 12.004
262 HG3 ARG 36 HG3 ARG 36 44.033 36.653 11.933
263 HD2 ARG 36 HD2 ARG 36 45.953 34.849 10.535
264 HD3 ARG 36 HD3 ARG 36 44.378 35.156 9.805
265 HE ARG 36 HE ARG 36 45.291 37.637 10.385
266 HH11 ARG 36 HH12 ARG 36 46.634 34.927 8.662
267 HH12 ARG 36 HH11 ARG 36 47.578 35.909 7.591
268 HH21 ARG 36 HH22 ARG 36 46.529 38.941 8.981
269 HH22 ARG 36 HH21 ARG 36 47.518 38.192 7.774
270 H ARG 37 H ARG 37 46.387 34.084 15.715
271 HA ARG 37 HA ARG 37 49.156 34.855 15.732
272 HB2 ARG 37 HB2 ARG 37 47.021 34.482 17.697
273 HB3 ARG 37 HB3 ARG 37 48.593 33.946 18.273
274 HG2 ARG 37 HG2 ARG 37 49.214 36.352 17.167
275 HG3 ARG 37 HG3 ARG 37 47.587 36.647 17.783
276 HD2 ARG 37 HD2 ARG 37 48.326 35.733 19.979
277 HD3 ARG 37 HD3 ARG 37 49.964 35.634 19.334
278 HE ARG 37 HE ARG 37 48.579 38.002 20.202
279 HH11 ARG 37 HH12 ARG 37 51.146 36.738 18.219
280 HH12 ARG 37 HH11 ARG 37 52.045 38.219 18.210
281 HH21 ARG 37 HH22 ARG 37 49.753 39.958 20.198
282 HH22 ARG 37 HH21 ARG 37 51.252 40.050 19.337
283 H LYS 38 H LYS 38 47.335 31.879 16.026
284 HA LYS 38 HA LYS 38 49.633 30.321 16.822
285 HB2 LYS 38 HB2 LYS 38 46.761 29.726 16.220
286 HB3 LYS 38 HB3 LYS 38 47.926 28.409 16.243
287 HG2 LYS 38 HG2 LYS 38 48.581 29.187 18.550
288 HG3 LYS 38 HG3 LYS 38 47.172 30.248 18.496
289 HD2 LYS 38 HD2 LYS 38 46.837 27.349 17.871
290 HD3 LYS 38 HD3 LYS 38 47.007 27.851 19.554
291 HE2 LYS 38 HE2 LYS 38 45.010 28.963 19.566
292 HE3 LYS 38 HE3 LYS 38 45.079 29.330 17.843
293 HZ1 LYS 38 HZ1 LYS 38 43.356 27.720 18.310
294 HZ2 LYS 38 HZ2 LYS 38 44.474 26.677 19.033
295 HZ3 LYS 38 HZ3 LYS 38 44.572 27.005 17.377
296 H LEU 39 H LEU 39 48.142 31.316 13.883
297 HA LEU 39 HA LEU 39 49.430 29.241 12.302
298 HB2 LEU 39 HB2 LEU 39 47.101 30.566 11.977
299 HB3 LEU 39 HB3 LEU 39 48.161 31.539 10.958
300 HG LEU 39 HG LEU 39 46.964 29.843 9.668
301 HD11 LEU 39 HD11 LEU 39 48.811 29.035 8.427
302 HD12 LEU 39 HD12 LEU 39 49.875 29.103 9.831
303 HD13 LEU 39 HD13 LEU 39 49.297 30.596 9.091
304 HD21 LEU 39 HD21 LEU 39 46.817 28.198 11.555
305 HD22 LEU 39 HD22 LEU 39 48.503 27.787 11.242
306 HD23 LEU 39 HD23 LEU 39 47.282 27.508 10.000
307 H LEU 40 H LEU 40 49.995 32.475 13.331
308 HA LEU 40 HA LEU 40 51.866 33.120 11.235
309 HB2 LEU 40 HB2 LEU 40 50.503 34.825 12.408
310 HB3 LEU 40 HB3 LEU 40 51.408 34.489 13.882
311 HG LEU 40 HG LEU 40 53.431 35.099 12.198
312 HD11 LEU 40 HD11 LEU 40 51.396 37.137 11.431
313 HD12 LEU 40 HD12 LEU 40 51.510 35.638 10.510
314 HD13 LEU 40 HD13 LEU 40 52.910 36.702 10.639
315 HD21 LEU 40 HD21 LEU 40 52.702 37.569 13.174
316 HD22 LEU 40 HD22 LEU 40 53.659 36.357 14.026
317 HD23 LEU 40 HD23 LEU 40 51.916 36.446 14.283
318 H GLN 41 H GLN 41 51.980 31.797 14.466
319 HA GLN 41 HA GLN 41 54.837 32.057 14.717
320 HB2 GLN 41 HB2 GLN 41 53.138 32.011 16.630
321 HB3 GLN 41 HB3 GLN 41 53.064 30.273 16.375
322 HG2 GLN 41 HG2 GLN 41 54.991 29.926 17.429
323 HG3 GLN 41 HG3 GLN 41 55.786 31.265 16.603
324 HE21 GLN 41 HE21 GLN 41 54.972 33.473 17.378
325 HE22 GLN 41 HE22 GLN 41 54.849 33.667 19.090
326 H ALA 42 H ALA 42 52.616 29.735 13.449
327 HA ALA 42 HA ALA 42 54.609 27.608 13.413
328 HB1 ALA 42 HB1 ALA 42 52.474 26.801 13.948
329 HB2 ALA 42 HB2 ALA 42 51.704 27.730 12.662
330 HB3 ALA 42 HB3 ALA 42 52.717 26.343 12.262
331 H ALA 43 H ALA 43 53.064 29.892 11.259
332 HA ALA 43 HA ALA 43 54.031 28.683 8.845
333 HB1 ALA 43 HB1 ALA 43 52.804 31.367 9.435
334 HB2 ALA 43 HB2 ALA 43 53.309 30.869 7.820
335 HB3 ALA 43 HB3 ALA 43 52.049 29.970 8.666
336 H ARG 44 H ARG 44 55.321 30.839 11.197
337 HA ARG 44 HA ARG 44 57.216 32.185 9.581
338 HB2 ARG 44 HB2 ARG 44 56.378 32.456 12.149
339 HB3 ARG 44 HB3 ARG 44 57.937 31.681 12.399
340 HG2 ARG 44 HG2 ARG 44 59.032 33.447 11.129
341 HG3 ARG 44 HG3 ARG 44 57.470 34.218 10.846
342 HD2 ARG 44 HD2 ARG 44 58.055 35.416 12.670
343 HD3 ARG 44 HD3 ARG 44 57.398 34.019 13.521
344 HE ARG 44 HE ARG 44 60.182 33.736 12.934
345 HH11 ARG 44 HH12 ARG 44 57.891 35.149 15.143
346 HH12 ARG 44 HH11 ARG 44 59.003 35.195 16.471
347 HH21 ARG 44 HH22 ARG 44 61.655 33.793 14.675
348 HH22 ARG 44 HH21 ARG 44 61.144 34.425 16.203
349 HN1 NH2 45 HN1 NH2 45 57.262 29.133 11.361
350 HN2 NH2 45 HN2 NH2 45 58.805 28.592 10.790