NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
604012 |
5ipo   |
30033 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H1 VAL 1 16.914 19.819 26.809
2 H2 VAL 1 H2 VAL 1 16.927 19.739 25.180
3 H3 VAL 1 H3 VAL 1 17.287 21.159 25.933
4 HA VAL 1 HA VAL 1 18.846 18.655 26.035
5 HB VAL 1 HB VAL 1 20.656 19.872 24.935
6 HG11 VAL 1 HG11 VAL 1 18.146 19.881 23.221
7 HG12 VAL 1 HG12 VAL 1 19.825 19.669 22.705
8 HG13 VAL 1 HG13 VAL 1 19.046 18.416 23.681
9 HG21 VAL 1 HG21 VAL 1 18.606 22.066 24.355
10 HG22 VAL 1 HG22 VAL 1 20.053 22.231 25.375
11 HG23 VAL 1 HG23 VAL 1 20.223 21.925 23.649
12 H HIS 2 H HIS 2 20.594 18.506 27.400
13 HA HIS 2 HA HIS 2 20.141 19.803 29.916
14 HB2 HIS 2 HB2 HIS 2 22.347 17.947 28.949
15 HB3 HIS 2 HB3 HIS 2 22.176 18.490 30.614
16 HD2 HIS 2 HD2 HIS 2 21.455 15.530 28.764
17 HE1 HIS 2 HE1 HIS 2 18.468 15.578 31.798
18 HE2 HIS 2 HE2 HIS 2 19.703 14.119 30.106
19 H LYS 3 H LYS 3 21.577 21.016 31.257
20 HA LYS 3 HA LYS 3 23.125 22.984 29.692
21 HB2 LYS 3 HB2 LYS 3 22.280 23.021 32.586
22 HB3 LYS 3 HB3 LYS 3 23.259 24.255 31.769
23 HG2 LYS 3 HG2 LYS 3 20.946 24.956 31.994
24 HG3 LYS 3 HG3 LYS 3 21.510 24.920 30.333
25 HD2 LYS 3 HD2 LYS 3 20.193 22.887 29.892
26 HD3 LYS 3 HD3 LYS 3 19.682 22.832 31.594
27 HE2 LYS 3 HE2 LYS 3 18.446 24.856 31.373
28 HE3 LYS 3 HE3 LYS 3 19.201 25.249 29.823
29 HZ1 LYS 3 HZ1 LYS 3 17.963 23.662 28.718
30 HZ2 LYS 3 HZ2 LYS 3 17.559 22.807 30.068
31 HZ3 LYS 3 HZ3 LYS 3 16.878 24.291 29.746
32 H MET 4 H MET 4 24.371 20.752 29.396
33 HA MET 4 HA MET 4 27.004 21.307 30.544
34 HB2 MET 4 HB2 MET 4 27.499 18.900 30.906
35 HB3 MET 4 HB3 MET 4 26.429 19.634 32.099
36 HG2 MET 4 HG2 MET 4 24.489 18.517 31.104
37 HG3 MET 4 HG3 MET 4 25.489 17.859 29.819
38 HE1 MET 4 HE1 MET 4 25.475 16.452 34.222
39 HE2 MET 4 HE2 MET 4 26.027 18.085 33.808
40 HE3 MET 4 HE3 MET 4 24.339 17.611 33.502
41 H ALA 5 H ALA 5 28.099 21.719 28.824
42 HA ALA 5 HA ALA 5 28.519 22.165 26.701
43 HB1 ALA 5 HB1 ALA 5 29.512 20.296 25.504
44 HB2 ALA 5 HB2 ALA 5 29.857 20.166 27.235
45 HB3 ALA 5 HB3 ALA 5 28.600 19.140 26.505
46 H LYS 6 H LYS 6 25.372 21.319 27.011
47 HA LYS 6 HA LYS 6 24.984 21.759 24.069
48 HB2 LYS 6 HB2 LYS 6 22.967 20.562 25.962
49 HB3 LYS 6 HB3 LYS 6 22.802 20.775 24.248
50 HG2 LYS 6 HG2 LYS 6 24.852 18.951 25.580
51 HG3 LYS 6 HG3 LYS 6 23.257 18.452 25.004
52 HD2 LYS 6 HD2 LYS 6 23.802 19.288 22.759
53 HD3 LYS 6 HD3 LYS 6 25.467 19.607 23.272
54 HE2 LYS 6 HE2 LYS 6 24.089 16.898 23.489
55 HE3 LYS 6 HE3 LYS 6 25.027 17.377 22.063
56 HZ1 LYS 6 HZ1 LYS 6 26.281 16.057 23.733
57 HZ2 LYS 6 HZ2 LYS 6 26.977 17.510 23.377
58 HZ3 LYS 6 HZ3 LYS 6 26.157 17.263 24.806
59 H ASN 7 H ASN 7 25.080 23.566 26.812
60 HA ASN 7 HA ASN 7 23.095 25.497 25.614
61 HB2 ASN 7 HB2 ASN 7 23.407 24.670 28.512
62 HB3 ASN 7 HB3 ASN 7 22.838 26.267 28.122
63 HD21 ASN 7 HD21 ASN 7 20.302 23.157 27.367
64 HD22 ASN 7 HD22 ASN 7 21.998 22.794 27.572
65 H GLN 8 H GLN 8 26.211 25.024 26.891
66 HA GLN 8 HA GLN 8 26.846 27.915 27.048
67 HB2 GLN 8 HB2 GLN 8 28.869 27.115 28.277
68 HB3 GLN 8 HB3 GLN 8 27.326 26.830 29.043
69 HG2 GLN 8 HG2 GLN 8 28.497 24.621 27.318
70 HG3 GLN 8 HG3 GLN 8 29.219 24.938 28.886
71 HE21 GLN 8 HE21 GLN 8 27.890 24.849 30.787
72 HE22 GLN 8 HE22 GLN 8 26.429 23.857 30.805
73 H PHE 9 H PHE 9 26.565 26.249 24.544
74 HA PHE 9 HA PHE 9 27.565 25.949 22.536
75 HB2 PHE 9 HB2 PHE 9 29.235 28.314 23.400
76 HB3 PHE 9 HB3 PHE 9 28.929 27.827 21.736
77 HD1 PHE 9 HD1 PHE 9 26.648 27.942 20.721
78 HD2 PHE 9 HD2 PHE 9 27.372 29.279 24.754
79 HE1 PHE 9 HE1 PHE 9 24.400 28.990 20.784
80 HE2 PHE 9 HE2 PHE 9 25.162 30.361 24.810
81 HZ PHE 9 HZ PHE 9 23.643 30.177 22.827
82 H GLY 10 H GLY 10 28.394 24.248 24.509
83 HA2 GLY 10 HA2 GLY 10 30.000 22.662 25.044
84 HA3 GLY 10 HA3 GLY 10 30.651 22.946 23.428
85 H CYS 11 H CYS 11 30.775 25.686 25.701
86 HA CYS 11 HA CYS 11 33.675 25.603 25.498
87 HB2 CYS 11 HB2 CYS 11 33.668 27.814 25.642
88 HB3 CYS 11 HB3 CYS 11 32.084 27.584 24.923
89 H PHE 12 H PHE 12 34.983 25.436 27.289
90 HA PHE 12 HA PHE 12 33.826 25.698 29.896
91 HB2 PHE 12 HB2 PHE 12 33.902 23.636 30.783
92 HB3 PHE 12 HB3 PHE 12 33.317 23.281 29.167
93 HD1 PHE 12 HD1 PHE 12 35.436 22.233 31.721
94 HD2 PHE 12 HD2 PHE 12 35.395 22.698 27.432
95 HE1 PHE 12 HE1 PHE 12 37.202 20.531 31.530
96 HE2 PHE 12 HE2 PHE 12 37.196 21.001 27.240
97 HZ PHE 12 HZ PHE 12 38.110 19.907 29.283
98 H ALA 13 H ALA 13 35.651 25.031 31.682
99 HA ALA 13 HA ALA 13 37.536 25.811 32.630
100 HB1 ALA 13 HB1 ALA 13 38.762 24.526 30.173
101 HB2 ALA 13 HB2 ALA 13 39.563 24.792 31.739
102 HB3 ALA 13 HB3 ALA 13 38.189 23.678 31.624
103 H ASN 14 H ASN 14 36.285 27.835 31.068
104 HA ASN 14 HA ASN 14 36.506 29.834 30.145
105 HB2 ASN 14 HB2 ASN 14 39.181 30.016 31.598
106 HB3 ASN 14 HB3 ASN 14 38.290 31.358 30.900
107 HD21 ASN 14 HD21 ASN 14 37.139 31.962 34.055
108 HD22 ASN 14 HD22 ASN 14 38.207 32.478 32.769
109 H VAL 15 H VAL 15 37.174 27.731 28.362
110 HA VAL 15 HA VAL 15 39.127 29.048 26.518
111 HB VAL 15 HB VAL 15 38.348 26.141 26.356
112 HG11 VAL 15 HG11 VAL 15 40.590 25.955 25.302
113 HG12 VAL 15 HG12 VAL 15 39.643 27.170 24.460
114 HG13 VAL 15 HG13 VAL 15 40.898 27.676 25.606
115 HG21 VAL 15 HG21 VAL 15 40.662 27.239 28.026
116 HG22 VAL 15 HG22 VAL 15 39.267 26.313 28.631
117 HG23 VAL 15 HG23 VAL 15 40.435 25.535 27.580
118 H ASP 16 H ASP 16 38.588 28.851 24.194
119 HA ASP 16 HA ASP 16 35.652 29.071 23.752
120 HB2 ASP 16 HB2 ASP 16 37.092 31.140 23.260
121 HB3 ASP 16 HB3 ASP 16 37.868 30.215 21.992
122 H VAL 17 H VAL 17 35.075 27.208 23.515
123 HA VAL 17 HA VAL 17 36.539 25.299 21.763
124 HB VAL 17 HB VAL 17 35.470 25.124 24.575
125 HG11 VAL 17 HG11 VAL 17 36.144 22.767 24.668
126 HG12 VAL 17 HG12 VAL 17 34.807 23.014 23.560
127 HG13 VAL 17 HG13 VAL 17 36.458 22.784 22.927
128 HG21 VAL 17 HG21 VAL 17 38.188 24.377 23.425
129 HG22 VAL 17 HG22 VAL 17 37.838 25.928 24.196
130 HG23 VAL 17 HG23 VAL 17 37.747 24.418 25.132
131 H LYS 18 H LYS 18 35.417 23.560 21.207
132 HA LYS 18 HA LYS 18 34.202 23.008 19.270
133 HB2 LYS 18 HB2 LYS 18 32.495 22.390 21.732
134 HB3 LYS 18 HB3 LYS 18 32.216 21.662 20.155
135 HG2 LYS 18 HG2 LYS 18 34.752 21.322 21.805
136 HG3 LYS 18 HG3 LYS 18 33.416 20.177 21.695
137 HD2 LYS 18 HD2 LYS 18 33.836 19.973 19.216
138 HD3 LYS 18 HD3 LYS 18 35.262 21.016 19.421
139 HE2 LYS 18 HE2 LYS 18 36.100 19.394 21.166
140 HE3 LYS 18 HE3 LYS 18 34.754 18.318 20.745
141 HZ1 LYS 18 HZ1 LYS 18 35.647 18.232 18.465
142 HZ2 LYS 18 HZ2 LYS 18 36.851 19.252 18.863
143 HZ3 LYS 18 HZ3 LYS 18 36.814 17.763 19.561
144 H GLY 19 H GLY 19 31.761 24.604 21.226
145 HA2 GLY 19 HA2 GLY 19 30.154 25.144 18.772
146 HA3 GLY 19 HA3 GLY 19 29.649 25.472 20.425
147 H ASP 20 H ASP 20 32.526 26.634 20.704
148 HA ASP 20 HA ASP 20 33.610 28.598 20.734
149 HB2 ASP 20 HB2 ASP 20 32.513 28.611 17.945
150 HB3 ASP 20 HB3 ASP 20 33.395 30.011 18.598
151 H CYS 21 H CYS 21 32.855 29.857 22.318
152 HA CYS 21 HA CYS 21 30.186 30.876 22.394
153 HB2 CYS 21 HB2 CYS 21 31.619 30.355 24.406
154 HB3 CYS 21 HB3 CYS 21 32.696 31.654 23.951
155 H LYS 22 H LYS 22 33.240 32.211 21.259
156 HA LYS 22 HA LYS 22 32.812 34.830 20.574
157 HB2 LYS 22 HB2 LYS 22 34.777 33.411 20.007
158 HB3 LYS 22 HB3 LYS 22 33.803 32.525 18.846
159 HG2 LYS 22 HG2 LYS 22 35.112 33.960 17.554
160 HG3 LYS 22 HG3 LYS 22 33.518 34.686 17.533
161 HD2 LYS 22 HD2 LYS 22 34.989 36.467 17.788
162 HD3 LYS 22 HD3 LYS 22 34.400 36.210 19.443
163 HE2 LYS 22 HE2 LYS 22 36.455 34.971 20.002
164 HE3 LYS 22 HE3 LYS 22 36.988 35.035 18.320
165 HZ1 LYS 22 HZ1 LYS 22 38.113 36.704 19.572
166 HZ2 LYS 22 HZ2 LYS 22 37.104 37.477 18.542
167 HZ3 LYS 22 HZ3 LYS 22 36.712 37.385 20.127
168 H ARG 23 H ARG 23 31.294 32.070 18.774
169 HA ARG 23 HA ARG 23 30.283 33.759 16.650
170 HB2 ARG 23 HB2 ARG 23 29.384 30.965 17.374
171 HB3 ARG 23 HB3 ARG 23 29.202 31.791 15.825
172 HG2 ARG 23 HG2 ARG 23 31.706 31.820 15.612
173 HG3 ARG 23 HG3 ARG 23 31.810 30.855 17.093
174 HD2 ARG 23 HD2 ARG 23 30.432 30.097 14.501
175 HD3 ARG 23 HD3 ARG 23 31.925 29.413 15.134
176 HE ARG 23 HE ARG 23 30.392 28.670 17.140
177 HH11 ARG 23 HH11 ARG 23 29.318 28.611 13.748
178 HH12 ARG 23 HH12 ARG 23 28.243 27.270 14.123
179 HH21 ARG 23 HH21 ARG 23 28.908 27.118 17.419
180 HH22 ARG 23 HH22 ARG 23 27.931 26.570 16.050
181 H HIS 24 H HIS 24 28.586 32.152 19.375
182 HA HIS 24 HA HIS 24 25.966 33.147 18.775
183 HB2 HIS 24 HB2 HIS 24 25.899 31.384 20.231
184 HB3 HIS 24 HB3 HIS 24 27.373 31.857 21.072
185 HD2 HIS 24 HD2 HIS 24 27.229 32.953 23.289
186 HE1 HIS 24 HE1 HIS 24 23.092 33.972 23.385
187 HE2 HIS 24 HE2 HIS 24 25.237 33.906 24.754
188 H CYS 25 H CYS 25 28.619 34.617 20.655
189 HA CYS 25 HA CYS 25 27.052 37.021 21.180
190 HB2 CYS 25 HB2 CYS 25 29.945 36.249 21.513
191 HB3 CYS 25 HB3 CYS 25 29.363 37.878 21.842
192 H LYS 26 H LYS 26 29.206 36.060 18.435
193 HA LYS 26 HA LYS 26 29.413 38.689 17.340
194 HB2 LYS 26 HB2 LYS 26 30.466 36.267 16.659
195 HB3 LYS 26 HB3 LYS 26 29.180 36.348 15.489
196 HG2 LYS 26 HG2 LYS 26 31.591 38.140 15.868
197 HG3 LYS 26 HG3 LYS 26 31.187 37.167 14.470
198 HD2 LYS 26 HD2 LYS 26 29.832 39.766 15.304
199 HD3 LYS 26 HD3 LYS 26 31.055 39.578 14.061
200 HE2 LYS 26 HE2 LYS 26 29.558 38.201 12.691
201 HE3 LYS 26 HE3 LYS 26 28.308 38.266 13.936
202 HZ1 LYS 26 HZ1 LYS 26 27.910 39.935 12.232
203 HZ2 LYS 26 HZ2 LYS 26 28.253 40.719 13.641
204 HZ3 LYS 26 HZ3 LYS 26 29.384 40.571 12.424
205 H ALA 27 H ALA 27 26.747 36.332 17.238
206 HA ALA 27 HA ALA 27 25.157 37.572 15.221
207 HB1 ALA 27 HB1 ALA 27 24.248 36.205 17.795
208 HB2 ALA 27 HB2 ALA 27 23.279 36.465 16.334
209 HB3 ALA 27 HB3 ALA 27 24.675 35.372 16.282
210 H GLU 28 H GLU 28 25.561 38.320 18.660
211 HA GLU 28 HA GLU 28 23.781 40.620 18.766
212 HB2 GLU 28 HB2 GLU 28 25.955 39.925 20.727
213 HB3 GLU 28 HB3 GLU 28 24.427 40.726 21.036
214 HG2 GLU 28 HG2 GLU 28 24.705 37.811 20.318
215 HG3 GLU 28 HG3 GLU 28 24.726 38.438 21.933
216 H ASP 29 H ASP 29 26.675 40.332 17.192
217 HA ASP 29 HA ASP 29 28.546 41.466 16.797
218 HB2 ASP 29 HB2 ASP 29 26.811 43.905 17.238
219 HB3 ASP 29 HB3 ASP 29 28.405 43.916 16.491
220 H LYS 30 H LYS 30 28.422 40.395 19.319
221 HA LYS 30 HA LYS 30 30.166 42.213 20.944
222 HB2 LYS 30 HB2 LYS 30 28.501 39.863 21.897
223 HB3 LYS 30 HB3 LYS 30 29.470 40.947 22.892
224 HG2 LYS 30 HG2 LYS 30 27.021 41.780 21.320
225 HG3 LYS 30 HG3 LYS 30 26.998 41.284 23.009
226 HD2 LYS 30 HD2 LYS 30 28.413 43.116 23.653
227 HD3 LYS 30 HD3 LYS 30 28.656 43.615 21.981
228 HE2 LYS 30 HE2 LYS 30 25.915 43.511 23.310
229 HE3 LYS 30 HE3 LYS 30 26.910 44.976 23.219
230 HZ1 LYS 30 HZ1 LYS 30 25.344 44.930 21.398
231 HZ2 LYS 30 HZ2 LYS 30 26.852 44.733 20.759
232 HZ3 LYS 30 HZ3 LYS 30 25.856 43.462 20.877
233 H GLU 31 H GLU 31 31.913 41.087 22.144
234 HA GLU 31 HA GLU 31 33.139 38.700 20.893
235 HB2 GLU 31 HB2 GLU 31 33.704 40.146 23.522
236 HB3 GLU 31 HB3 GLU 31 34.657 38.818 22.893
237 HG2 GLU 31 HG2 GLU 31 34.336 41.464 21.423
238 HG3 GLU 31 HG3 GLU 31 35.671 41.063 22.490
239 H GLY 32 H GLY 32 33.351 36.635 22.084
240 HA2 GLY 32 HA2 GLY 32 31.228 36.170 24.166
241 HA3 GLY 32 HA3 GLY 32 31.667 34.967 22.975
242 H ILE 33 H ILE 33 31.932 35.482 26.094
243 HA ILE 33 HA ILE 33 34.671 34.403 26.363
244 HB ILE 33 HB ILE 33 34.475 35.307 28.785
245 HG12 ILE 33 HG12 ILE 33 33.611 37.716 28.725
246 HG13 ILE 33 HG13 ILE 33 32.616 37.241 27.359
247 HG21 ILE 33 HG21 ILE 33 35.766 37.279 28.044
248 HG22 ILE 33 HG22 ILE 33 36.204 35.855 27.099
249 HG23 ILE 33 HG23 ILE 33 35.137 37.089 26.392
250 HD11 ILE 33 HD11 ILE 33 31.454 35.600 28.824
251 HD12 ILE 33 HD12 ILE 33 32.557 35.999 30.157
252 HD13 ILE 33 HD13 ILE 33 31.403 37.197 29.529
253 H CYS 34 H CYS 34 34.889 32.491 27.172
254 HA CYS 34 HA CYS 34 32.596 31.178 28.446
255 HB2 CYS 34 HB2 CYS 34 34.243 30.072 26.835
256 HB3 CYS 34 HB3 CYS 34 35.360 30.034 28.208
257 H HIS 35 H HIS 35 32.154 31.812 30.440
258 HA HIS 35 HA HIS 35 34.346 32.346 32.429
259 HB2 HIS 35 HB2 HIS 35 32.806 33.594 33.744
260 HB3 HIS 35 HB3 HIS 35 32.864 34.217 32.102
261 HD2 HIS 35 HD2 HIS 35 30.656 33.500 30.483
262 HE1 HIS 35 HE1 HIS 35 28.038 32.917 33.810
263 HE2 HIS 35 HE2 HIS 35 28.142 33.040 31.297
264 H GLY 36 H GLY 36 34.746 30.022 32.402
265 HA2 GLY 36 HA2 GLY 36 34.794 28.130 33.834
266 HA3 GLY 36 HA3 GLY 36 33.176 28.513 34.423
267 H THR 37 H THR 37 32.058 26.642 33.880
268 HA THR 37 HA THR 37 31.958 25.602 31.125
269 HB THR 37 HB THR 37 30.092 24.162 32.037
270 HG1 THR 37 HG1 THR 37 29.858 24.085 34.242
271 HG21 THR 37 HG21 THR 37 32.166 23.108 31.969
272 HG22 THR 37 HG22 THR 37 32.816 24.033 33.341
273 HG23 THR 37 HG23 THR 37 31.541 22.812 33.585
274 H LYS 38 H LYS 38 31.231 28.442 31.598
275 HA LYS 38 HA LYS 38 28.385 28.529 30.687
276 HB2 LYS 38 HB2 LYS 38 29.839 30.550 32.422
277 HB3 LYS 38 HB3 LYS 38 28.115 30.511 32.046
278 HG2 LYS 38 HG2 LYS 38 29.632 28.550 33.813
279 HG3 LYS 38 HG3 LYS 38 28.602 29.871 34.355
280 HD2 LYS 38 HD2 LYS 38 26.646 28.846 33.245
281 HD3 LYS 38 HD3 LYS 38 27.634 27.479 32.717
282 HE2 LYS 38 HE2 LYS 38 27.237 28.338 35.605
283 HE3 LYS 38 HE3 LYS 38 26.304 27.067 34.799
284 HZ1 LYS 38 HZ1 LYS 38 28.479 25.910 34.429
285 HZ2 LYS 38 HZ2 LYS 38 29.210 27.009 35.385
286 HZ3 LYS 38 HZ3 LYS 38 28.037 26.041 36.004
287 H CYS 39 H CYS 39 27.848 30.051 29.111
288 HA CYS 39 HA CYS 39 30.119 31.601 27.876
289 HB2 CYS 39 HB2 CYS 39 29.317 29.821 26.422
290 HB3 CYS 39 HB3 CYS 39 27.664 30.374 26.645
291 H LYS 40 H LYS 40 30.011 33.731 27.963
292 HA LYS 40 HA LYS 40 27.425 35.171 27.790
293 HB2 LYS 40 HB2 LYS 40 29.348 35.311 30.098
294 HB3 LYS 40 HB3 LYS 40 28.756 36.827 29.516
295 HG2 LYS 40 HG2 LYS 40 26.402 36.061 29.748
296 HG3 LYS 40 HG3 LYS 40 27.003 34.482 30.266
297 HD2 LYS 40 HD2 LYS 40 26.280 35.683 32.209
298 HD3 LYS 40 HD3 LYS 40 28.032 35.533 32.262
299 HE2 LYS 40 HE2 LYS 40 28.252 37.873 31.433
300 HE3 LYS 40 HE3 LYS 40 26.490 38.018 31.432
301 HZ1 LYS 40 HZ1 LYS 40 26.534 37.567 33.834
302 HZ2 LYS 40 HZ2 LYS 40 28.169 37.460 33.816
303 HZ3 LYS 40 HZ3 LYS 40 27.421 38.902 33.452
304 H CYS 41 H CYS 41 27.889 37.579 27.380
305 HA CYS 41 HA CYS 41 30.065 37.654 25.362
306 HB2 CYS 41 HB2 CYS 41 27.844 39.645 25.660
307 HB3 CYS 41 HB3 CYS 41 29.066 39.557 24.425
308 H GLY 42 H GLY 42 31.339 39.481 25.053
309 HA2 GLY 42 HA2 GLY 42 32.598 40.216 27.648
310 HA3 GLY 42 HA3 GLY 42 33.418 40.111 26.081
311 H VAL 43 H VAL 43 33.109 41.826 24.550
312 HA VAL 43 HA VAL 43 31.743 44.274 25.381
313 HB VAL 43 HB VAL 43 33.642 45.619 24.535
314 HG11 VAL 43 HG11 VAL 43 33.522 45.048 26.945
315 HG12 VAL 43 HG12 VAL 43 34.593 43.653 26.655
316 HG13 VAL 43 HG13 VAL 43 35.169 45.319 26.385
317 HG21 VAL 43 HG21 VAL 43 35.200 42.995 24.319
318 HG22 VAL 43 HG22 VAL 43 34.666 44.007 22.958
319 HG23 VAL 43 HG23 VAL 43 35.842 44.635 24.100
320 HA PRO 44 HA PRO 44 30.343 44.502 21.089
321 HB2 PRO 44 HB2 PRO 44 31.541 47.267 21.153
322 HB3 PRO 44 HB3 PRO 44 29.955 46.749 20.499
323 HG2 PRO 44 HG2 PRO 44 30.109 47.942 22.918
324 HG3 PRO 44 HG3 PRO 44 29.062 46.507 22.711
325 HD2 PRO 44 HD2 PRO 44 31.849 46.624 23.936
326 HD3 PRO 44 HD3 PRO 44 30.398 45.732 24.459
327 H ILE 45 H ILE 45 31.145 43.993 19.101
328 HA ILE 45 HA ILE 45 33.945 43.535 18.681
329 HB ILE 45 HB ILE 45 33.344 42.908 16.414
330 HG12 ILE 45 HG12 ILE 45 30.612 42.987 16.174
331 HG13 ILE 45 HG13 ILE 45 30.866 44.508 16.984
332 HG21 ILE 45 HG21 ILE 45 31.383 41.858 18.470
333 HG22 ILE 45 HG22 ILE 45 31.872 41.058 16.963
334 HG23 ILE 45 HG23 ILE 45 33.054 41.335 18.252
335 HD11 ILE 45 HD11 ILE 45 30.872 44.744 14.534
336 HD12 ILE 45 HD12 ILE 45 32.453 45.198 15.194
337 HD13 ILE 45 HD13 ILE 45 32.245 43.622 14.415
338 H SER 46 H SER 46 32.124 46.338 18.295
339 HA SER 46 HA SER 46 33.774 47.899 16.502
340 HB2 SER 46 HB2 SER 46 32.539 49.757 17.849
341 HB3 SER 46 HB3 SER 46 31.640 48.706 16.743
342 HG SER 46 HG SER 46 30.783 49.068 18.979
343 H TYR 47 H TYR 47 35.886 47.266 17.282
344 HA TYR 47 HA TYR 47 36.688 47.726 20.013
345 HB2 TYR 47 HB2 TYR 47 38.505 47.281 17.638
346 HB3 TYR 47 HB3 TYR 47 38.847 46.936 19.323
347 HD1 TYR 47 HD1 TYR 47 38.736 45.260 16.536
348 HD2 TYR 47 HD2 TYR 47 36.429 45.353 20.186
349 HE1 TYR 47 HE1 TYR 47 38.074 42.890 16.189
350 HE2 TYR 47 HE2 TYR 47 35.782 42.980 19.824
351 HH TYR 47 HH TYR 47 35.994 41.098 18.479
352 H LEU 48 H LEU 48 36.108 50.122 17.860
353 HA LEU 48 HA LEU 48 38.275 51.947 18.791
354 HB2 LEU 48 HB2 LEU 48 38.745 51.197 16.525
355 HB3 LEU 48 HB3 LEU 48 37.074 51.414 16.043
356 HG LEU 48 HG LEU 48 37.280 53.847 16.286
357 HD11 LEU 48 HD11 LEU 48 40.247 53.237 16.733
358 HD12 LEU 48 HD12 LEU 48 39.550 54.845 16.450
359 HD13 LEU 48 HD13 LEU 48 39.135 53.957 17.920
360 HD21 LEU 48 HD21 LEU 48 39.366 52.545 14.490
361 HD22 LEU 48 HD22 LEU 48 37.637 52.749 14.115
362 HD23 LEU 48 HD23 LEU 48 38.674 54.174 14.281
Start of MODEL 2
1 H1 VAL 1 H1 VAL 1 18.566 18.068 25.030
2 H2 VAL 1 H2 VAL 1 18.198 19.313 26.051
3 H3 VAL 1 H3 VAL 1 18.156 17.749 26.570
4 HA VAL 1 HA VAL 1 20.468 17.482 26.435
5 HB VAL 1 HB VAL 1 21.885 19.470 25.784
6 HG11 VAL 1 HG11 VAL 1 21.688 17.386 24.503
7 HG12 VAL 1 HG12 VAL 1 20.308 18.038 23.609
8 HG13 VAL 1 HG13 VAL 1 21.908 18.788 23.442
9 HG21 VAL 1 HG21 VAL 1 21.017 21.004 24.096
10 HG22 VAL 1 HG22 VAL 1 19.383 20.362 24.279
11 HG23 VAL 1 HG23 VAL 1 20.153 21.230 25.615
12 H HIS 2 H HIS 2 21.505 17.657 28.330
13 HA HIS 2 HA HIS 2 20.746 19.472 30.398
14 HB2 HIS 2 HB2 HIS 2 21.809 16.996 30.222
15 HB3 HIS 2 HB3 HIS 2 23.309 17.885 30.411
16 HD2 HIS 2 HD2 HIS 2 21.458 15.849 32.350
17 HE1 HIS 2 HE1 HIS 2 21.913 19.088 35.092
18 HE2 HIS 2 HE2 HIS 2 21.377 16.617 34.922
19 H LYS 3 H LYS 3 22.457 20.688 31.722
20 HA LYS 3 HA LYS 3 23.828 22.630 29.978
21 HB2 LYS 3 HB2 LYS 3 23.909 22.669 32.991
22 HB3 LYS 3 HB3 LYS 3 24.119 24.006 31.864
23 HG2 LYS 3 HG2 LYS 3 21.475 22.614 32.480
24 HG3 LYS 3 HG3 LYS 3 22.087 24.059 33.264
25 HD2 LYS 3 HD2 LYS 3 22.150 25.121 30.880
26 HD3 LYS 3 HD3 LYS 3 21.075 23.769 30.430
27 HE2 LYS 3 HE2 LYS 3 19.612 24.418 32.418
28 HE3 LYS 3 HE3 LYS 3 20.660 25.819 32.663
29 HZ1 LYS 3 HZ1 LYS 3 18.777 26.498 31.406
30 HZ2 LYS 3 HZ2 LYS 3 20.036 26.509 30.353
31 HZ3 LYS 3 HZ3 LYS 3 18.931 25.272 30.325
32 H MET 4 H MET 4 25.023 20.257 29.635
33 HA MET 4 HA MET 4 27.598 20.315 31.177
34 HB2 MET 4 HB2 MET 4 26.065 17.836 30.284
35 HB3 MET 4 HB3 MET 4 27.660 17.880 31.053
36 HG2 MET 4 HG2 MET 4 26.515 19.173 32.957
37 HG3 MET 4 HG3 MET 4 24.989 18.657 32.250
38 HE1 MET 4 HE1 MET 4 24.310 17.624 34.543
39 HE2 MET 4 HE2 MET 4 25.248 16.417 35.435
40 HE3 MET 4 HE3 MET 4 25.860 18.077 35.265
41 H ALA 5 H ALA 5 28.383 21.655 29.509
42 HA ALA 5 HA ALA 5 29.005 22.355 27.449
43 HB1 ALA 5 HB1 ALA 5 30.636 21.000 26.354
44 HB2 ALA 5 HB2 ALA 5 30.819 20.848 28.115
45 HB3 ALA 5 HB3 ALA 5 30.047 19.538 27.179
46 H LYS 6 H LYS 6 26.252 21.167 27.521
47 HA LYS 6 HA LYS 6 25.862 21.024 24.557
48 HB2 LYS 6 HB2 LYS 6 24.465 19.367 26.673
49 HB3 LYS 6 HB3 LYS 6 23.932 19.541 24.994
50 HG2 LYS 6 HG2 LYS 6 26.114 18.688 24.191
51 HG3 LYS 6 HG3 LYS 6 26.583 18.355 25.869
52 HD2 LYS 6 HD2 LYS 6 24.688 16.827 26.141
53 HD3 LYS 6 HD3 LYS 6 24.076 17.251 24.526
54 HE2 LYS 6 HE2 LYS 6 26.113 16.354 23.488
55 HE3 LYS 6 HE3 LYS 6 26.746 15.916 25.089
56 HZ1 LYS 6 HZ1 LYS 6 24.185 14.878 23.968
57 HZ2 LYS 6 HZ2 LYS 6 25.601 14.015 23.985
58 HZ3 LYS 6 HZ3 LYS 6 24.865 14.423 25.369
59 H ASN 7 H ASN 7 25.516 23.152 26.862
60 HA ASN 7 HA ASN 7 23.215 24.430 25.458
61 HB2 ASN 7 HB2 ASN 7 23.378 24.073 28.461
62 HB3 ASN 7 HB3 ASN 7 22.628 25.503 27.797
63 HD21 ASN 7 HD21 ASN 7 20.600 22.012 27.609
64 HD22 ASN 7 HD22 ASN 7 22.332 21.954 27.854
65 H GLN 8 H GLN 8 26.366 24.626 26.609
66 HA GLN 8 HA GLN 8 26.450 27.588 26.676
67 HB2 GLN 8 HB2 GLN 8 28.539 27.275 28.008
68 HB3 GLN 8 HB3 GLN 8 27.062 26.775 28.787
69 HG2 GLN 8 HG2 GLN 8 28.631 24.679 27.259
70 HG3 GLN 8 HG3 GLN 8 29.275 25.257 28.787
71 HE21 GLN 8 HE21 GLN 8 27.863 25.175 30.703
72 HE22 GLN 8 HE22 GLN 8 26.714 23.847 30.806
73 H PHE 9 H PHE 9 26.431 25.976 24.245
74 HA PHE 9 HA PHE 9 27.379 26.130 22.172
75 HB2 PHE 9 HB2 PHE 9 29.150 28.300 23.338
76 HB3 PHE 9 HB3 PHE 9 28.726 28.097 21.644
77 HD1 PHE 9 HD1 PHE 9 26.377 28.308 20.796
78 HD2 PHE 9 HD2 PHE 9 27.496 29.441 24.788
79 HE1 PHE 9 HE1 PHE 9 24.203 29.474 21.072
80 HE2 PHE 9 HE2 PHE 9 25.325 30.637 25.061
81 HZ PHE 9 HZ PHE 9 23.676 30.640 23.207
82 H GLY 10 H GLY 10 28.323 24.227 24.001
83 HA2 GLY 10 HA2 GLY 10 29.891 22.567 24.200
84 HA3 GLY 10 HA3 GLY 10 30.687 23.208 22.763
85 H CYS 11 H CYS 11 30.648 25.746 25.123
86 HA CYS 11 HA CYS 11 33.512 25.201 25.439
87 HB2 CYS 11 HB2 CYS 11 33.940 27.459 25.733
88 HB3 CYS 11 HB3 CYS 11 33.121 27.182 24.224
89 H PHE 12 H PHE 12 34.361 24.721 27.343
90 HA PHE 12 HA PHE 12 33.042 25.661 29.770
91 HB2 PHE 12 HB2 PHE 12 32.574 23.591 30.734
92 HB3 PHE 12 HB3 PHE 12 31.897 23.505 29.134
93 HD1 PHE 12 HD1 PHE 12 34.031 21.956 31.553
94 HD2 PHE 12 HD2 PHE 12 33.332 22.236 27.304
95 HE1 PHE 12 HE1 PHE 12 35.180 19.795 31.228
96 HE2 PHE 12 HE2 PHE 12 34.500 20.064 26.980
97 HZ PHE 12 HZ PHE 12 35.416 18.834 28.935
98 H ALA 13 H ALA 13 34.278 25.139 31.752
99 HA ALA 13 HA ALA 13 36.103 25.494 32.983
100 HB1 ALA 13 HB1 ALA 13 37.466 23.500 31.156
101 HB2 ALA 13 HB2 ALA 13 37.902 23.899 32.828
102 HB3 ALA 13 HB3 ALA 13 36.365 23.087 32.491
103 H ASN 14 H ASN 14 35.691 27.357 30.835
104 HA ASN 14 HA ASN 14 36.642 29.081 29.732
105 HB2 ASN 14 HB2 ASN 14 37.310 29.538 32.076
106 HB3 ASN 14 HB3 ASN 14 38.909 28.837 31.751
107 HD21 ASN 14 HD21 ASN 14 37.725 32.489 30.534
108 HD22 ASN 14 HD22 ASN 14 36.556 31.183 30.477
109 H VAL 15 H VAL 15 37.232 26.429 28.585
110 HA VAL 15 HA VAL 15 39.903 26.743 27.325
111 HB VAL 15 HB VAL 15 37.889 24.444 27.177
112 HG11 VAL 15 HG11 VAL 15 39.843 23.077 26.485
113 HG12 VAL 15 HG12 VAL 15 39.421 24.251 25.265
114 HG13 VAL 15 HG13 VAL 15 40.817 24.546 26.332
115 HG21 VAL 15 HG21 VAL 15 39.576 23.342 28.716
116 HG22 VAL 15 HG22 VAL 15 40.425 24.891 28.849
117 HG23 VAL 15 HG23 VAL 15 38.769 24.705 29.463
118 H ASP 16 H ASP 16 39.846 26.106 24.871
119 HA ASP 16 HA ASP 16 37.693 27.532 23.388
120 HB2 ASP 16 HB2 ASP 16 40.017 28.638 23.356
121 HB3 ASP 16 HB3 ASP 16 40.627 27.191 22.559
122 H VAL 17 H VAL 17 36.368 26.068 22.867
123 HA VAL 17 HA VAL 17 37.394 23.254 22.731
124 HB VAL 17 HB VAL 17 34.750 23.849 23.849
125 HG11 VAL 17 HG11 VAL 17 35.423 22.172 25.531
126 HG12 VAL 17 HG12 VAL 17 35.815 21.573 23.921
127 HG13 VAL 17 HG13 VAL 17 37.102 22.230 24.950
128 HG21 VAL 17 HG21 VAL 17 35.693 25.716 24.951
129 HG22 VAL 17 HG22 VAL 17 35.673 24.395 26.146
130 HG23 VAL 17 HG23 VAL 17 37.167 24.794 25.283
131 H LYS 18 H LYS 18 35.899 25.214 20.683
132 HA LYS 18 HA LYS 18 35.018 24.994 18.705
133 HB2 LYS 18 HB2 LYS 18 34.706 22.029 19.125
134 HB3 LYS 18 HB3 LYS 18 34.450 22.891 17.613
135 HG2 LYS 18 HG2 LYS 18 37.098 23.133 19.129
136 HG3 LYS 18 HG3 LYS 18 36.760 21.805 18.080
137 HD2 LYS 18 HD2 LYS 18 36.506 23.234 16.147
138 HD3 LYS 18 HD3 LYS 18 36.572 24.708 17.131
139 HE2 LYS 18 HE2 LYS 18 38.790 22.673 17.273
140 HE3 LYS 18 HE3 LYS 18 38.753 23.808 15.912
141 HZ1 LYS 18 HZ1 LYS 18 39.126 25.581 17.305
142 HZ2 LYS 18 HZ2 LYS 18 38.524 24.886 18.630
143 HZ3 LYS 18 HZ3 LYS 18 40.022 24.444 18.085
144 H GLY 19 H GLY 19 33.400 25.816 18.086
145 HA2 GLY 19 HA2 GLY 19 30.965 26.193 17.822
146 HA3 GLY 19 HA3 GLY 19 30.751 25.599 19.501
147 H ASP 20 H ASP 20 31.732 26.665 21.160
148 HA ASP 20 HA ASP 20 32.336 28.258 22.531
149 HB2 ASP 20 HB2 ASP 20 33.984 29.389 20.273
150 HB3 ASP 20 HB3 ASP 20 34.093 29.862 21.943
151 H CYS 21 H CYS 21 32.137 30.358 23.323
152 HA CYS 21 HA CYS 21 29.561 31.398 22.744
153 HB2 CYS 21 HB2 CYS 21 30.807 31.276 24.921
154 HB3 CYS 21 HB3 CYS 21 31.874 32.558 24.352
155 H LYS 22 H LYS 22 32.768 32.465 21.733
156 HA LYS 22 HA LYS 22 32.595 34.925 20.637
157 HB2 LYS 22 HB2 LYS 22 34.523 33.401 20.506
158 HB3 LYS 22 HB3 LYS 22 33.657 32.355 19.394
159 HG2 LYS 22 HG2 LYS 22 35.244 33.572 18.122
160 HG3 LYS 22 HG3 LYS 22 33.653 34.191 17.703
161 HD2 LYS 22 HD2 LYS 22 35.058 36.051 17.822
162 HD3 LYS 22 HD3 LYS 22 34.125 36.111 19.330
163 HE2 LYS 22 HE2 LYS 22 36.022 35.197 20.576
164 HE3 LYS 22 HE3 LYS 22 36.942 34.967 19.082
165 HZ1 LYS 22 HZ1 LYS 22 36.033 37.654 19.998
166 HZ2 LYS 22 HZ2 LYS 22 37.505 37.039 20.343
167 HZ3 LYS 22 HZ3 LYS 22 37.080 37.330 18.792
168 H ARG 23 H ARG 23 31.240 32.058 18.913
169 HA ARG 23 HA ARG 23 30.307 33.620 16.634
170 HB2 ARG 23 HB2 ARG 23 30.188 30.771 17.545
171 HB3 ARG 23 HB3 ARG 23 28.826 31.292 16.556
172 HG2 ARG 23 HG2 ARG 23 30.531 30.267 15.179
173 HG3 ARG 23 HG3 ARG 23 30.307 31.963 14.753
174 HD2 ARG 23 HD2 ARG 23 32.655 31.416 14.733
175 HD3 ARG 23 HD3 ARG 23 32.340 32.549 16.052
176 HE ARG 23 HE ARG 23 32.213 29.844 17.050
177 HH11 ARG 23 HH11 ARG 23 34.647 32.179 15.958
178 HH12 ARG 23 HH12 ARG 23 35.909 31.270 16.786
179 HH21 ARG 23 HH21 ARG 23 33.826 28.952 18.159
180 HH22 ARG 23 HH22 ARG 23 35.339 29.818 18.315
181 H HIS 24 H HIS 24 28.474 32.191 19.352
182 HA HIS 24 HA HIS 24 25.960 33.282 18.579
183 HB2 HIS 24 HB2 HIS 24 25.710 31.587 20.078
184 HB3 HIS 24 HB3 HIS 24 27.167 31.987 20.977
185 HD2 HIS 24 HD2 HIS 24 27.008 33.305 23.087
186 HE1 HIS 24 HE1 HIS 24 22.875 34.392 22.995
187 HE2 HIS 24 HE2 HIS 24 25.009 34.535 24.368
188 H CYS 25 H CYS 25 28.472 34.731 20.757
189 HA CYS 25 HA CYS 25 26.895 37.127 21.191
190 HB2 CYS 25 HB2 CYS 25 29.810 36.447 21.564
191 HB3 CYS 25 HB3 CYS 25 29.181 38.060 21.881
192 H LYS 26 H LYS 26 29.094 36.179 18.533
193 HA LYS 26 HA LYS 26 29.525 38.741 17.415
194 HB2 LYS 26 HB2 LYS 26 30.358 36.264 16.758
195 HB3 LYS 26 HB3 LYS 26 29.036 36.350 15.632
196 HG2 LYS 26 HG2 LYS 26 31.517 38.112 15.780
197 HG3 LYS 26 HG3 LYS 26 31.120 36.898 14.580
198 HD2 LYS 26 HD2 LYS 26 30.586 38.734 13.358
199 HD3 LYS 26 HD3 LYS 26 29.017 38.477 14.118
200 HE2 LYS 26 HE2 LYS 26 29.851 40.090 15.972
201 HE3 LYS 26 HE3 LYS 26 31.240 40.414 14.917
202 HZ1 LYS 26 HZ1 LYS 26 29.637 41.146 13.218
203 HZ2 LYS 26 HZ2 LYS 26 28.380 40.914 14.237
204 HZ3 LYS 26 HZ3 LYS 26 29.492 42.063 14.576
205 H ALA 27 H ALA 27 26.695 36.604 17.186
206 HA ALA 27 HA ALA 27 25.231 38.161 15.281
207 HB1 ALA 27 HB1 ALA 27 23.348 36.773 16.024
208 HB2 ALA 27 HB2 ALA 27 24.812 35.790 15.816
209 HB3 ALA 27 HB3 ALA 27 24.270 36.262 17.445
210 H GLU 28 H GLU 28 25.899 38.870 18.602
211 HA GLU 28 HA GLU 28 23.757 40.950 18.742
212 HB2 GLU 28 HB2 GLU 28 25.746 40.101 20.877
213 HB3 GLU 28 HB3 GLU 28 24.375 41.179 21.070
214 HG2 GLU 28 HG2 GLU 28 23.419 38.623 20.089
215 HG3 GLU 28 HG3 GLU 28 24.488 38.352 21.459
216 H ASP 29 H ASP 29 26.562 40.699 17.228
217 HA ASP 29 HA ASP 29 28.364 41.830 16.702
218 HB2 ASP 29 HB2 ASP 29 26.608 43.497 16.040
219 HB3 ASP 29 HB3 ASP 29 26.986 44.390 17.515
220 H LYS 30 H LYS 30 28.221 40.713 19.334
221 HA LYS 30 HA LYS 30 30.128 42.434 20.872
222 HB2 LYS 30 HB2 LYS 30 28.323 40.203 21.887
223 HB3 LYS 30 HB3 LYS 30 29.409 41.197 22.860
224 HG2 LYS 30 HG2 LYS 30 26.977 42.210 21.369
225 HG3 LYS 30 HG3 LYS 30 27.038 41.832 23.084
226 HD2 LYS 30 HD2 LYS 30 28.677 43.557 23.502
227 HD3 LYS 30 HD3 LYS 30 28.819 43.945 21.781
228 HE2 LYS 30 HE2 LYS 30 26.196 44.159 23.320
229 HE3 LYS 30 HE3 LYS 30 27.320 45.509 23.112
230 HZ1 LYS 30 HZ1 LYS 30 25.613 45.543 21.427
231 HZ2 LYS 30 HZ2 LYS 30 27.078 45.282 20.711
232 HZ3 LYS 30 HZ3 LYS 30 26.034 44.036 20.872
233 H GLU 31 H GLU 31 31.831 41.361 22.039
234 HA GLU 31 HA GLU 31 33.022 38.966 20.803
235 HB2 GLU 31 HB2 GLU 31 33.702 40.344 23.430
236 HB3 GLU 31 HB3 GLU 31 34.657 39.104 22.648
237 HG2 GLU 31 HG2 GLU 31 34.137 41.832 21.388
238 HG3 GLU 31 HG3 GLU 31 35.552 41.421 22.344
239 H GLY 32 H GLY 32 33.241 36.906 21.907
240 HA2 GLY 32 HA2 GLY 32 31.289 36.441 24.142
241 HA3 GLY 32 HA3 GLY 32 31.442 35.315 22.813
242 H ILE 33 H ILE 33 32.104 35.531 25.878
243 HA ILE 33 HA ILE 33 34.608 33.958 25.771
244 HB ILE 33 HB ILE 33 35.198 35.239 27.988
245 HG12 ILE 33 HG12 ILE 33 34.852 37.741 27.637
246 HG13 ILE 33 HG13 ILE 33 33.595 37.369 26.478
247 HG21 ILE 33 HG21 ILE 33 35.628 36.508 25.257
248 HG22 ILE 33 HG22 ILE 33 36.679 36.635 26.671
249 HG23 ILE 33 HG23 ILE 33 36.508 35.080 25.853
250 HD11 ILE 33 HD11 ILE 33 33.637 36.817 29.451
251 HD12 ILE 33 HD12 ILE 33 32.566 37.917 28.579
252 HD13 ILE 33 HD13 ILE 33 32.377 36.162 28.395
253 H CYS 34 H CYS 34 34.852 32.303 27.156
254 HA CYS 34 HA CYS 34 32.305 31.434 28.375
255 HB2 CYS 34 HB2 CYS 34 34.734 29.834 27.513
256 HB3 CYS 34 HB3 CYS 34 33.179 29.186 28.029
257 H HIS 35 H HIS 35 32.358 32.390 30.431
258 HA HIS 35 HA HIS 35 34.660 31.973 32.225
259 HB2 HIS 35 HB2 HIS 35 31.943 33.285 32.558
260 HB3 HIS 35 HB3 HIS 35 32.948 32.899 33.952
261 HD2 HIS 35 HD2 HIS 35 32.904 35.213 30.880
262 HE1 HIS 35 HE1 HIS 35 36.278 36.373 33.217
263 HE2 HIS 35 HE2 HIS 35 34.928 36.916 31.152
264 H GLY 36 H GLY 36 35.080 30.004 32.898
265 HA2 GLY 36 HA2 GLY 36 34.844 27.922 33.871
266 HA3 GLY 36 HA3 GLY 36 33.348 28.500 34.616
267 H THR 37 H THR 37 31.668 27.252 34.074
268 HA THR 37 HA THR 37 31.481 25.853 31.471
269 HB THR 37 HB THR 37 29.564 24.679 32.557
270 HG1 THR 37 HG1 THR 37 29.384 24.965 34.795
271 HG21 THR 37 HG21 THR 37 31.771 23.627 32.739
272 HG22 THR 37 HG22 THR 37 32.155 24.608 34.167
273 HG23 THR 37 HG23 THR 37 30.860 23.399 34.220
274 H LYS 38 H LYS 38 30.709 28.934 32.164
275 HA LYS 38 HA LYS 38 28.091 28.908 30.704
276 HB2 LYS 38 HB2 LYS 38 29.185 31.000 32.626
277 HB3 LYS 38 HB3 LYS 38 27.584 30.988 31.890
278 HG2 LYS 38 HG2 LYS 38 28.638 28.953 33.894
279 HG3 LYS 38 HG3 LYS 38 27.533 30.281 34.245
280 HD2 LYS 38 HD2 LYS 38 25.858 29.296 32.706
281 HD3 LYS 38 HD3 LYS 38 26.943 27.932 32.381
282 HE2 LYS 38 HE2 LYS 38 25.992 28.701 35.160
283 HE3 LYS 38 HE3 LYS 38 25.118 27.565 34.120
284 HZ1 LYS 38 HZ1 LYS 38 27.889 27.193 35.116
285 HZ2 LYS 38 HZ2 LYS 38 26.551 26.388 35.610
286 HZ3 LYS 38 HZ3 LYS 38 27.095 26.143 34.098
287 H CYS 39 H CYS 39 27.619 30.461 29.182
288 HA CYS 39 HA CYS 39 29.960 31.815 27.887
289 HB2 CYS 39 HB2 CYS 39 28.983 30.372 26.369
290 HB3 CYS 39 HB3 CYS 39 27.348 30.702 26.933
291 H LYS 40 H LYS 40 30.190 33.917 28.025
292 HA LYS 40 HA LYS 40 27.869 35.752 28.477
293 HB2 LYS 40 HB2 LYS 40 30.506 35.551 29.982
294 HB3 LYS 40 HB3 LYS 40 29.842 37.127 29.644
295 HG2 LYS 40 HG2 LYS 40 29.075 36.712 31.747
296 HG3 LYS 40 HG3 LYS 40 27.673 36.414 30.710
297 HD2 LYS 40 HD2 LYS 40 28.215 33.937 30.868
298 HD3 LYS 40 HD3 LYS 40 29.546 34.354 31.950
299 HE2 LYS 40 HE2 LYS 40 27.636 33.618 33.262
300 HE3 LYS 40 HE3 LYS 40 27.925 35.340 33.557
301 HZ1 LYS 40 HZ1 LYS 40 25.551 34.765 33.174
302 HZ2 LYS 40 HZ2 LYS 40 26.094 35.884 32.119
303 HZ3 LYS 40 HZ3 LYS 40 25.891 34.309 31.641
304 H CYS 41 H CYS 41 28.110 37.816 27.487
305 HA CYS 41 HA CYS 41 30.146 37.876 25.342
306 HB2 CYS 41 HB2 CYS 41 27.927 39.868 25.755
307 HB3 CYS 41 HB3 CYS 41 29.046 39.771 24.427
308 H GLY 42 H GLY 42 31.347 39.814 24.995
309 HA2 GLY 42 HA2 GLY 42 32.421 40.988 27.537
310 HA3 GLY 42 HA3 GLY 42 33.273 40.852 25.996
311 H VAL 43 H VAL 43 33.059 42.379 24.501
312 HA VAL 43 HA VAL 43 31.372 44.786 24.940
313 HB VAL 43 HB VAL 43 33.409 46.100 24.285
314 HG11 VAL 43 HG11 VAL 43 32.853 45.787 26.674
315 HG12 VAL 43 HG12 VAL 43 33.914 44.361 26.719
316 HG13 VAL 43 HG13 VAL 43 34.593 45.962 26.386
317 HG21 VAL 43 HG21 VAL 43 35.617 45.135 24.268
318 HG22 VAL 43 HG22 VAL 43 34.983 43.515 24.600
319 HG23 VAL 43 HG23 VAL 43 34.634 44.315 23.050
320 HA PRO 44 HA PRO 44 30.586 44.894 20.475
321 HB2 PRO 44 HB2 PRO 44 32.314 47.390 20.521
322 HB3 PRO 44 HB3 PRO 44 30.824 47.088 19.582
323 HG2 PRO 44 HG2 PRO 44 30.709 48.487 21.897
324 HG3 PRO 44 HG3 PRO 44 29.469 47.235 21.560
325 HD2 PRO 44 HD2 PRO 44 31.845 47.070 23.403
326 HD3 PRO 44 HD3 PRO 44 30.217 46.364 23.574
327 H ILE 45 H ILE 45 31.617 43.918 18.710
328 HA ILE 45 HA ILE 45 34.216 42.830 19.155
329 HB ILE 45 HB ILE 45 34.072 41.852 16.946
330 HG12 ILE 45 HG12 ILE 45 31.777 42.270 15.719
331 HG13 ILE 45 HG13 ILE 45 31.835 43.842 16.463
332 HG21 ILE 45 HG21 ILE 45 32.862 40.872 18.834
333 HG22 ILE 45 HG22 ILE 45 31.389 41.732 18.318
334 HG23 ILE 45 HG23 ILE 45 32.128 40.501 17.271
335 HD11 ILE 45 HD11 ILE 45 32.802 43.472 14.055
336 HD12 ILE 45 HD12 ILE 45 33.776 44.441 15.160
337 HD13 ILE 45 HD13 ILE 45 34.191 42.743 14.870
338 H SER 46 H SER 46 33.338 45.746 17.439
339 HA SER 46 HA SER 46 35.726 46.139 15.983
340 HB2 SER 46 HB2 SER 46 33.774 47.632 15.795
341 HB3 SER 46 HB3 SER 46 34.151 48.312 17.382
342 HG SER 46 HG SER 46 35.591 49.537 16.446
343 H TYR 47 H TYR 47 37.748 46.257 16.552
344 HA TYR 47 HA TYR 47 38.765 46.384 19.173
345 HB2 TYR 47 HB2 TYR 47 40.206 47.181 16.627
346 HB3 TYR 47 HB3 TYR 47 40.917 46.536 18.097
347 HD1 TYR 47 HD1 TYR 47 40.395 44.090 18.763
348 HD2 TYR 47 HD2 TYR 47 39.549 45.734 14.857
349 HE1 TYR 47 HE1 TYR 47 40.386 41.797 17.786
350 HE2 TYR 47 HE2 TYR 47 39.547 43.452 13.897
351 HH TYR 47 HH TYR 47 39.886 41.242 14.266
352 H LEU 48 H LEU 48 37.579 49.007 17.297
353 HA LEU 48 HA LEU 48 38.615 51.106 19.106
354 HB2 LEU 48 HB2 LEU 48 40.154 50.987 17.190
355 HB3 LEU 48 HB3 LEU 48 38.799 50.879 16.065
356 HG LEU 48 HG LEU 48 38.110 53.160 16.630
357 HD11 LEU 48 HD11 LEU 48 40.707 53.242 18.244
358 HD12 LEU 48 HD12 LEU 48 39.688 54.646 17.853
359 HD13 LEU 48 HD13 LEU 48 39.065 53.376 18.902
360 HD21 LEU 48 HD21 LEU 48 39.985 54.275 15.462
361 HD22 LEU 48 HD22 LEU 48 40.991 52.836 15.743
362 HD23 LEU 48 HD23 LEU 48 39.550 52.736 14.711
Start of MODEL 3
1 H1 VAL 1 H1 VAL 1 20.117 11.993 28.054
2 H2 VAL 1 H2 VAL 1 19.275 13.018 29.059
3 H3 VAL 1 H3 VAL 1 20.718 12.409 29.519
4 HA VAL 1 HA VAL 1 21.847 13.519 27.731
5 HB VAL 1 HB VAL 1 20.757 15.402 26.609
6 HG11 VAL 1 HG11 VAL 1 19.273 12.788 26.089
7 HG12 VAL 1 HG12 VAL 1 19.532 14.126 24.953
8 HG13 VAL 1 HG13 VAL 1 20.910 13.168 25.513
9 HG21 VAL 1 HG21 VAL 1 18.312 15.603 26.501
10 HG22 VAL 1 HG22 VAL 1 18.115 14.331 27.719
11 HG23 VAL 1 HG23 VAL 1 18.874 15.883 28.147
12 H HIS 2 H HIS 2 23.077 15.295 28.364
13 HA HIS 2 HA HIS 2 22.218 16.600 30.921
14 HB2 HIS 2 HB2 HIS 2 24.681 16.337 31.558
15 HB3 HIS 2 HB3 HIS 2 23.611 14.950 31.646
16 HD2 HIS 2 HD2 HIS 2 25.150 12.966 31.237
17 HE1 HIS 2 HE1 HIS 2 26.988 14.189 27.603
18 HE2 HIS 2 HE2 HIS 2 26.763 12.296 29.250
19 H LYS 3 H LYS 3 23.462 18.405 31.615
20 HA LYS 3 HA LYS 3 23.779 20.408 29.431
21 HB2 LYS 3 HB2 LYS 3 23.366 20.797 32.425
22 HB3 LYS 3 HB3 LYS 3 23.546 22.060 31.215
23 HG2 LYS 3 HG2 LYS 3 21.281 22.038 31.514
24 HG3 LYS 3 HG3 LYS 3 21.450 21.032 30.078
25 HD2 LYS 3 HD2 LYS 3 21.139 18.993 31.459
26 HD3 LYS 3 HD3 LYS 3 21.172 19.975 32.935
27 HE2 LYS 3 HE2 LYS 3 19.133 21.178 32.142
28 HE3 LYS 3 HE3 LYS 3 19.086 20.118 30.719
29 HZ1 LYS 3 HZ1 LYS 3 18.891 19.217 33.544
30 HZ2 LYS 3 HZ2 LYS 3 17.633 19.268 32.472
31 HZ3 LYS 3 HZ3 LYS 3 18.902 18.215 32.285
32 H MET 4 H MET 4 25.794 19.560 28.793
33 HA MET 4 HA MET 4 27.998 20.862 30.065
34 HB2 MET 4 HB2 MET 4 29.502 18.956 30.333
35 HB3 MET 4 HB3 MET 4 28.133 18.851 31.425
36 HG2 MET 4 HG2 MET 4 27.073 17.180 29.923
37 HG3 MET 4 HG3 MET 4 28.468 17.288 28.836
38 HE1 MET 4 HE1 MET 4 28.205 16.971 32.860
39 HE2 MET 4 HE2 MET 4 26.991 15.909 32.107
40 HE3 MET 4 HE3 MET 4 28.381 15.205 32.955
41 H ALA 5 H ALA 5 29.165 21.660 28.481
42 HA ALA 5 HA ALA 5 29.365 22.502 26.397
43 HB1 ALA 5 HB1 ALA 5 29.996 19.601 25.760
44 HB2 ALA 5 HB2 ALA 5 30.552 21.009 24.838
45 HB3 ALA 5 HB3 ALA 5 31.117 20.770 26.506
46 H LYS 6 H LYS 6 26.614 21.207 26.934
47 HA LYS 6 HA LYS 6 25.527 21.445 24.145
48 HB2 LYS 6 HB2 LYS 6 24.786 19.582 26.437
49 HB3 LYS 6 HB3 LYS 6 23.721 19.854 25.054
50 HG2 LYS 6 HG2 LYS 6 25.392 19.084 23.497
51 HG3 LYS 6 HG3 LYS 6 26.596 18.898 24.767
52 HD2 LYS 6 HD2 LYS 6 23.971 17.357 24.740
53 HD3 LYS 6 HD3 LYS 6 25.419 16.784 23.919
54 HE2 LYS 6 HE2 LYS 6 25.156 17.252 26.922
55 HE3 LYS 6 HE3 LYS 6 25.164 15.703 26.083
56 HZ1 LYS 6 HZ1 LYS 6 27.448 16.405 25.229
57 HZ2 LYS 6 HZ2 LYS 6 27.428 17.569 26.381
58 HZ3 LYS 6 HZ3 LYS 6 27.375 15.984 26.786
59 H ASN 7 H ASN 7 25.732 23.162 26.867
60 HA ASN 7 HA ASN 7 23.286 24.716 26.259
61 HB2 ASN 7 HB2 ASN 7 23.603 23.023 28.633
62 HB3 ASN 7 HB3 ASN 7 23.419 24.709 29.105
63 HD21 ASN 7 HD21 ASN 7 20.437 22.912 26.930
64 HD22 ASN 7 HD22 ASN 7 21.952 22.101 27.166
65 H GLN 8 H GLN 8 26.433 24.817 26.551
66 HA GLN 8 HA GLN 8 26.566 27.703 27.234
67 HB2 GLN 8 HB2 GLN 8 28.779 27.270 28.278
68 HB3 GLN 8 HB3 GLN 8 27.404 26.676 29.134
69 HG2 GLN 8 HG2 GLN 8 28.909 24.806 27.250
70 HG3 GLN 8 HG3 GLN 8 29.592 25.187 28.835
71 HE21 GLN 8 HE21 GLN 8 26.688 24.001 30.607
72 HE22 GLN 8 HE22 GLN 8 28.078 25.050 30.687
73 H PHE 9 H PHE 9 26.331 26.319 24.642
74 HA PHE 9 HA PHE 9 27.119 26.544 22.523
75 HB2 PHE 9 HB2 PHE 9 28.868 28.761 23.607
76 HB3 PHE 9 HB3 PHE 9 28.288 28.563 21.959
77 HD1 PHE 9 HD1 PHE 9 25.862 28.792 21.402
78 HD2 PHE 9 HD2 PHE 9 27.376 29.703 25.330
79 HE1 PHE 9 HE1 PHE 9 23.730 29.918 21.963
80 HE2 PHE 9 HE2 PHE 9 25.254 30.889 25.871
81 HZ PHE 9 HZ PHE 9 23.427 30.980 24.195
82 H GLY 10 H GLY 10 28.336 24.559 24.080
83 HA2 GLY 10 HA2 GLY 10 30.107 23.072 24.084
84 HA3 GLY 10 HA3 GLY 10 30.677 23.850 22.610
85 H CYS 11 H CYS 11 30.533 26.151 25.167
86 HA CYS 11 HA CYS 11 33.494 26.109 25.363
87 HB2 CYS 11 HB2 CYS 11 32.380 27.839 24.078
88 HB3 CYS 11 HB3 CYS 11 31.528 28.362 25.543
89 H PHE 12 H PHE 12 34.310 25.618 27.247
90 HA PHE 12 HA PHE 12 32.898 26.276 29.741
91 HB2 PHE 12 HB2 PHE 12 32.786 24.080 30.594
92 HB3 PHE 12 HB3 PHE 12 32.007 24.047 29.031
93 HD1 PHE 12 HD1 PHE 12 34.419 22.525 31.176
94 HD2 PHE 12 HD2 PHE 12 33.501 23.155 27.008
95 HE1 PHE 12 HE1 PHE 12 35.917 20.662 30.568
96 HE2 PHE 12 HE2 PHE 12 35.022 21.299 26.400
97 HZ PHE 12 HZ PHE 12 36.237 20.038 28.174
98 H ALA 13 H ALA 13 34.224 25.691 31.696
99 HA ALA 13 HA ALA 13 36.051 26.049 32.959
100 HB1 ALA 13 HB1 ALA 13 37.816 24.385 32.641
101 HB2 ALA 13 HB2 ALA 13 36.205 23.683 32.417
102 HB3 ALA 13 HB3 ALA 13 37.216 24.051 31.000
103 H ASN 14 H ASN 14 35.794 28.058 30.973
104 HA ASN 14 HA ASN 14 36.806 29.674 29.798
105 HB2 ASN 14 HB2 ASN 14 39.078 29.420 31.805
106 HB3 ASN 14 HB3 ASN 14 38.712 30.833 30.822
107 HD21 ASN 14 HD21 ASN 14 36.974 32.240 33.329
108 HD22 ASN 14 HD22 ASN 14 37.770 32.444 31.787
109 H VAL 15 H VAL 15 37.258 27.108 28.596
110 HA VAL 15 HA VAL 15 40.045 27.194 27.542
111 HB VAL 15 HB VAL 15 37.748 25.262 26.949
112 HG11 VAL 15 HG11 VAL 15 39.301 25.075 25.104
113 HG12 VAL 15 HG12 VAL 15 40.702 25.161 26.209
114 HG13 VAL 15 HG13 VAL 15 39.631 23.751 26.195
115 HG21 VAL 15 HG21 VAL 15 38.977 23.698 28.380
116 HG22 VAL 15 HG22 VAL 15 40.197 24.941 28.727
117 HG23 VAL 15 HG23 VAL 15 38.529 25.123 29.307
118 H ASP 16 H ASP 16 39.972 26.855 24.959
119 HA ASP 16 HA ASP 16 38.032 28.718 23.730
120 HB2 ASP 16 HB2 ASP 16 40.226 29.855 23.552
121 HB3 ASP 16 HB3 ASP 16 40.957 28.376 22.904
122 H VAL 17 H VAL 17 36.669 27.528 23.126
123 HA VAL 17 HA VAL 17 37.254 24.720 22.377
124 HB VAL 17 HB VAL 17 34.654 25.251 23.531
125 HG11 VAL 17 HG11 VAL 17 36.976 23.495 24.412
126 HG12 VAL 17 HG12 VAL 17 35.297 23.369 24.982
127 HG13 VAL 17 HG13 VAL 17 35.670 23.038 23.292
128 HG21 VAL 17 HG21 VAL 17 37.038 25.998 25.203
129 HG22 VAL 17 HG22 VAL 17 35.583 26.966 24.956
130 HG23 VAL 17 HG23 VAL 17 35.531 25.480 25.938
131 H LYS 18 H LYS 18 36.249 23.845 20.668
132 HA LYS 18 HA LYS 18 35.696 25.870 18.689
133 HB2 LYS 18 HB2 LYS 18 35.988 22.883 18.348
134 HB3 LYS 18 HB3 LYS 18 35.868 24.048 17.032
135 HG2 LYS 18 HG2 LYS 18 38.110 23.863 19.091
136 HG3 LYS 18 HG3 LYS 18 38.175 23.521 17.374
137 HD2 LYS 18 HD2 LYS 18 39.100 25.594 17.271
138 HD3 LYS 18 HD3 LYS 18 37.416 26.092 17.180
139 HE2 LYS 18 HE2 LYS 18 37.812 26.021 19.918
140 HE3 LYS 18 HE3 LYS 18 39.444 26.392 19.368
141 HZ1 LYS 18 HZ1 LYS 18 38.216 28.430 19.733
142 HZ2 LYS 18 HZ2 LYS 18 38.455 28.276 18.106
143 HZ3 LYS 18 HZ3 LYS 18 36.991 27.968 18.728
144 H GLY 19 H GLY 19 33.354 24.542 20.550
145 HA2 GLY 19 HA2 GLY 19 31.172 24.834 18.638
146 HA3 GLY 19 HA3 GLY 19 31.071 24.966 20.407
147 H ASP 20 H ASP 20 33.254 27.030 20.415
148 HA ASP 20 HA ASP 20 33.370 29.229 20.794
149 HB2 ASP 20 HB2 ASP 20 32.831 29.068 17.840
150 HB3 ASP 20 HB3 ASP 20 33.067 30.611 18.654
151 H CYS 21 H CYS 21 32.013 29.964 22.259
152 HA CYS 21 HA CYS 21 29.265 30.640 21.826
153 HB2 CYS 21 HB2 CYS 21 30.449 30.313 24.082
154 HB3 CYS 21 HB3 CYS 21 31.249 31.853 23.806
155 H LYS 22 H LYS 22 32.253 32.269 21.079
156 HA LYS 22 HA LYS 22 31.592 34.874 20.465
157 HB2 LYS 22 HB2 LYS 22 33.736 33.385 20.092
158 HB3 LYS 22 HB3 LYS 22 33.076 33.088 18.497
159 HG2 LYS 22 HG2 LYS 22 33.792 35.792 19.722
160 HG3 LYS 22 HG3 LYS 22 34.787 34.891 18.597
161 HD2 LYS 22 HD2 LYS 22 32.146 36.252 18.050
162 HD3 LYS 22 HD3 LYS 22 33.722 36.699 17.432
163 HE2 LYS 22 HE2 LYS 22 32.118 34.216 16.660
164 HE3 LYS 22 HE3 LYS 22 32.359 35.658 15.691
165 HZ1 LYS 22 HZ1 LYS 22 34.761 35.145 15.659
166 HZ2 LYS 22 HZ2 LYS 22 34.509 33.751 16.468
167 HZ3 LYS 22 HZ3 LYS 22 33.856 33.967 14.963
168 H ARG 23 H ARG 23 30.637 32.004 18.471
169 HA ARG 23 HA ARG 23 29.410 33.542 16.336
170 HB2 ARG 23 HB2 ARG 23 28.882 30.713 17.333
171 HB3 ARG 23 HB3 ARG 23 28.383 31.358 15.765
172 HG2 ARG 23 HG2 ARG 23 30.823 31.639 15.189
173 HG3 ARG 23 HG3 ARG 23 31.242 30.858 16.723
174 HD2 ARG 23 HD2 ARG 23 29.656 29.656 14.429
175 HD3 ARG 23 HD3 ARG 23 31.316 29.267 14.893
176 HE ARG 23 HE ARG 23 30.291 28.454 17.123
177 HH11 ARG 23 HH11 ARG 23 28.636 27.954 14.051
178 HH12 ARG 23 HH12 ARG 23 27.456 26.896 14.797
179 HH21 ARG 23 HH21 ARG 23 28.992 26.958 17.871
180 HH22 ARG 23 HH22 ARG 23 27.926 26.054 16.802
181 H HIS 24 H HIS 24 28.086 32.407 19.394
182 HA HIS 24 HA HIS 24 25.336 33.198 18.732
183 HB2 HIS 24 HB2 HIS 24 25.408 31.495 20.296
184 HB3 HIS 24 HB3 HIS 24 26.794 32.156 21.149
185 HD2 HIS 24 HD2 HIS 24 26.424 33.630 23.196
186 HE1 HIS 24 HE1 HIS 24 22.214 34.220 22.927
187 HE2 HIS 24 HE2 HIS 24 24.287 34.695 24.315
188 H CYS 25 H CYS 25 28.025 34.652 20.615
189 HA CYS 25 HA CYS 25 26.610 37.096 21.191
190 HB2 CYS 25 HB2 CYS 25 29.480 36.180 21.336
191 HB3 CYS 25 HB3 CYS 25 29.061 37.842 21.673
192 H LYS 26 H LYS 26 28.542 36.173 18.338
193 HA LYS 26 HA LYS 26 28.928 38.713 17.215
194 HB2 LYS 26 HB2 LYS 26 29.781 36.352 16.538
195 HB3 LYS 26 HB3 LYS 26 28.335 36.228 15.555
196 HG2 LYS 26 HG2 LYS 26 30.448 38.438 15.361
197 HG3 LYS 26 HG3 LYS 26 30.497 36.943 14.453
198 HD2 LYS 26 HD2 LYS 26 29.455 37.998 12.818
199 HD3 LYS 26 HD3 LYS 26 27.975 37.865 13.777
200 HE2 LYS 26 HE2 LYS 26 28.712 40.096 14.857
201 HE3 LYS 26 HE3 LYS 26 29.950 40.189 13.601
202 HZ1 LYS 26 HZ1 LYS 26 27.867 41.379 13.045
203 HZ2 LYS 26 HZ2 LYS 26 28.190 40.193 11.935
204 HZ3 LYS 26 HZ3 LYS 26 27.015 40.003 13.063
205 H ALA 27 H ALA 27 25.947 36.796 17.297
206 HA ALA 27 HA ALA 27 24.401 38.298 15.430
207 HB1 ALA 27 HB1 ALA 27 22.482 37.443 16.677
208 HB2 ALA 27 HB2 ALA 27 23.719 36.175 16.575
209 HB3 ALA 27 HB3 ALA 27 23.508 37.094 18.083
210 H GLU 28 H GLU 28 25.556 39.228 18.604
211 HA GLU 28 HA GLU 28 23.992 41.776 18.603
212 HB2 GLU 28 HB2 GLU 28 25.483 40.408 20.860
213 HB3 GLU 28 HB3 GLU 28 24.430 41.810 20.999
214 HG2 GLU 28 HG2 GLU 28 23.261 39.245 19.957
215 HG3 GLU 28 HG3 GLU 28 23.633 39.383 21.643
216 H ASP 29 H ASP 29 26.656 40.806 17.267
217 HA ASP 29 HA ASP 29 28.721 41.388 16.771
218 HB2 ASP 29 HB2 ASP 29 27.923 44.223 17.429
219 HB3 ASP 29 HB3 ASP 29 29.263 43.693 16.417
220 H LYS 30 H LYS 30 28.436 40.421 19.428
221 HA LYS 30 HA LYS 30 30.644 41.831 20.878
222 HB2 LYS 30 HB2 LYS 30 28.600 39.864 21.941
223 HB3 LYS 30 HB3 LYS 30 29.870 40.689 22.860
224 HG2 LYS 30 HG2 LYS 30 27.548 42.060 21.489
225 HG3 LYS 30 HG3 LYS 30 27.581 41.589 23.186
226 HD2 LYS 30 HD2 LYS 30 29.489 43.036 23.643
227 HD3 LYS 30 HD3 LYS 30 29.612 43.502 21.938
228 HE2 LYS 30 HE2 LYS 30 27.127 43.941 23.644
229 HE3 LYS 30 HE3 LYS 30 28.386 45.161 23.405
230 HZ1 LYS 30 HZ1 LYS 30 26.902 43.910 21.152
231 HZ2 LYS 30 HZ2 LYS 30 26.534 45.375 21.828
232 HZ3 LYS 30 HZ3 LYS 30 27.975 45.118 21.049
233 H GLU 31 H GLU 31 32.177 40.596 21.992
234 HA GLU 31 HA GLU 31 33.127 38.077 20.777
235 HB2 GLU 31 HB2 GLU 31 33.943 39.508 23.340
236 HB3 GLU 31 HB3 GLU 31 34.797 38.158 22.625
237 HG2 GLU 31 HG2 GLU 31 34.481 40.837 21.183
238 HG3 GLU 31 HG3 GLU 31 35.804 40.470 22.278
239 H GLY 32 H GLY 32 33.042 36.009 21.946
240 HA2 GLY 32 HA2 GLY 32 30.959 35.877 24.116
241 HA3 GLY 32 HA3 GLY 32 31.184 34.619 22.913
242 H ILE 33 H ILE 33 31.657 35.203 26.050
243 HA ILE 33 HA ILE 33 34.085 33.526 26.168
244 HB ILE 33 HB ILE 33 34.560 34.755 28.408
245 HG12 ILE 33 HG12 ILE 33 34.402 37.288 27.985
246 HG13 ILE 33 HG13 ILE 33 33.074 36.936 26.895
247 HG21 ILE 33 HG21 ILE 33 35.285 35.953 25.694
248 HG22 ILE 33 HG22 ILE 33 36.217 36.083 27.201
249 HG23 ILE 33 HG23 ILE 33 36.043 34.517 26.420
250 HD11 ILE 33 HD11 ILE 33 31.809 35.955 28.788
251 HD12 ILE 33 HD12 ILE 33 33.214 36.161 29.847
252 HD13 ILE 33 HD13 ILE 33 32.362 37.581 29.201
253 H CYS 34 H CYS 34 33.902 31.696 27.068
254 HA CYS 34 HA CYS 34 31.773 31.164 29.057
255 HB2 CYS 34 HB2 CYS 34 32.883 28.936 29.244
256 HB3 CYS 34 HB3 CYS 34 32.033 29.297 27.747
257 H HIS 35 H HIS 35 32.161 32.384 30.802
258 HA HIS 35 HA HIS 35 34.846 32.818 31.879
259 HB2 HIS 35 HB2 HIS 35 33.651 34.269 33.501
260 HB3 HIS 35 HB3 HIS 35 33.306 34.652 31.820
261 HD2 HIS 35 HD2 HIS 35 30.824 34.417 30.958
262 HE1 HIS 35 HE1 HIS 35 29.039 33.101 34.615
263 HE2 HIS 35 HE2 HIS 35 28.542 33.883 32.280
264 H GLY 36 H GLY 36 33.951 30.144 31.858
265 HA2 GLY 36 HA2 GLY 36 34.748 28.619 33.863
266 HA3 GLY 36 HA3 GLY 36 33.222 29.220 34.549
267 H THR 37 H THR 37 31.899 27.350 34.272
268 HA THR 37 HA THR 37 31.580 26.090 31.645
269 HB THR 37 HB THR 37 29.509 25.176 33.211
270 HG1 THR 37 HG1 THR 37 30.241 24.800 35.175
271 HG21 THR 37 HG21 THR 37 30.960 23.226 33.621
272 HG22 THR 37 HG22 THR 37 30.988 23.793 31.948
273 HG23 THR 37 HG23 THR 37 32.353 24.176 33.036
274 H LYS 38 H LYS 38 30.344 28.985 32.815
275 HA LYS 38 HA LYS 38 27.876 28.759 31.123
276 HB2 LYS 38 HB2 LYS 38 28.373 30.847 33.260
277 HB3 LYS 38 HB3 LYS 38 26.855 30.415 32.494
278 HG2 LYS 38 HG2 LYS 38 28.411 28.757 34.539
279 HG3 LYS 38 HG3 LYS 38 26.937 29.677 34.815
280 HD2 LYS 38 HD2 LYS 38 25.712 28.212 33.243
281 HD3 LYS 38 HD3 LYS 38 27.147 27.222 33.008
282 HE2 LYS 38 HE2 LYS 38 25.910 27.745 35.750
283 HE3 LYS 38 HE3 LYS 38 25.387 26.424 34.699
284 HZ1 LYS 38 HZ1 LYS 38 27.603 25.515 34.743
285 HZ2 LYS 38 HZ2 LYS 38 28.147 26.728 35.756
286 HZ3 LYS 38 HZ3 LYS 38 27.042 25.653 36.265
287 H CYS 39 H CYS 39 27.414 30.496 29.672
288 HA CYS 39 HA CYS 39 29.834 32.122 28.993
289 HB2 CYS 39 HB2 CYS 39 29.162 30.452 27.270
290 HB3 CYS 39 HB3 CYS 39 27.648 31.351 27.074
291 H LYS 40 H LYS 40 29.797 34.173 28.572
292 HA LYS 40 HA LYS 40 27.315 35.802 28.491
293 HB2 LYS 40 HB2 LYS 40 29.647 36.167 30.415
294 HB3 LYS 40 HB3 LYS 40 28.928 37.586 29.711
295 HG2 LYS 40 HG2 LYS 40 26.685 36.924 30.515
296 HG3 LYS 40 HG3 LYS 40 27.388 35.467 31.214
297 HD2 LYS 40 HD2 LYS 40 27.045 37.047 32.975
298 HD3 LYS 40 HD3 LYS 40 28.789 36.902 32.728
299 HE2 LYS 40 HE2 LYS 40 28.809 39.019 31.464
300 HE3 LYS 40 HE3 LYS 40 27.049 39.129 31.550
301 HZ1 LYS 40 HZ1 LYS 40 28.856 39.182 33.908
302 HZ2 LYS 40 HZ2 LYS 40 28.135 40.506 33.268
303 HZ3 LYS 40 HZ3 LYS 40 27.225 39.357 33.969
304 H CYS 41 H CYS 41 27.786 37.931 27.409
305 HA CYS 41 HA CYS 41 29.929 37.573 25.393
306 HB2 CYS 41 HB2 CYS 41 27.961 39.839 25.582
307 HB3 CYS 41 HB3 CYS 41 29.161 39.528 24.360
308 H GLY 42 H GLY 42 31.587 38.987 25.067
309 HA2 GLY 42 HA2 GLY 42 32.777 39.956 27.571
310 HA3 GLY 42 HA3 GLY 42 33.618 39.678 26.037
311 H VAL 43 H VAL 43 33.559 41.312 24.433
312 HA VAL 43 HA VAL 43 32.395 43.951 25.037
313 HB VAL 43 HB VAL 43 34.520 45.015 24.320
314 HG11 VAL 43 HG11 VAL 43 35.060 43.054 26.568
315 HG12 VAL 43 HG12 VAL 43 35.843 44.622 26.292
316 HG13 VAL 43 HG13 VAL 43 34.125 44.555 26.738
317 HG21 VAL 43 HG21 VAL 43 35.428 43.199 22.882
318 HG22 VAL 43 HG22 VAL 43 36.588 43.772 24.081
319 HG23 VAL 43 HG23 VAL 43 35.752 42.232 24.338
320 HA PRO 44 HA PRO 44 31.370 44.163 20.629
321 HB2 PRO 44 HB2 PRO 44 33.180 46.603 20.615
322 HB3 PRO 44 HB3 PRO 44 31.600 46.384 19.809
323 HG2 PRO 44 HG2 PRO 44 31.736 47.716 22.154
324 HG3 PRO 44 HG3 PRO 44 30.435 46.510 21.902
325 HD2 PRO 44 HD2 PRO 44 32.993 46.190 23.490
326 HD3 PRO 44 HD3 PRO 44 31.348 45.601 23.825
327 H ILE 45 H ILE 45 32.246 43.110 18.851
328 HA ILE 45 HA ILE 45 34.860 41.986 19.051
329 HB ILE 45 HB ILE 45 34.485 41.023 16.863
330 HG12 ILE 45 HG12 ILE 45 31.994 41.638 15.921
331 HG13 ILE 45 HG13 ILE 45 32.446 43.208 16.545
332 HG21 ILE 45 HG21 ILE 45 31.913 40.982 18.447
333 HG22 ILE 45 HG22 ILE 45 32.501 39.745 17.324
334 HG23 ILE 45 HG23 ILE 45 33.378 40.047 18.829
335 HD11 ILE 45 HD11 ILE 45 34.624 42.964 15.128
336 HD12 ILE 45 HD12 ILE 45 33.862 41.539 14.427
337 HD13 ILE 45 HD13 ILE 45 33.108 43.141 14.246
338 H SER 46 H SER 46 33.924 44.943 17.466
339 HA SER 46 HA SER 46 35.250 45.261 15.282
340 HB2 SER 46 HB2 SER 46 35.319 47.342 17.483
341 HB3 SER 46 HB3 SER 46 35.457 47.634 15.737
342 HG SER 46 HG SER 46 33.371 47.007 15.427
343 H TYR 47 H TYR 47 37.079 44.519 14.610
344 HA TYR 47 HA TYR 47 39.497 44.268 16.027
345 HB2 TYR 47 HB2 TYR 47 39.251 44.578 13.020
346 HB3 TYR 47 HB3 TYR 47 40.481 43.700 13.908
347 HD1 TYR 47 HD1 TYR 47 37.867 43.194 11.777
348 HD2 TYR 47 HD2 TYR 47 39.215 41.851 15.648
349 HE1 TYR 47 HE1 TYR 47 36.603 41.085 11.482
350 HE2 TYR 47 HE2 TYR 47 37.940 39.730 15.349
351 HH TYR 47 HH TYR 47 36.051 39.082 12.362
352 H LEU 48 H LEU 48 38.418 46.900 13.874
353 HA LEU 48 HA LEU 48 40.176 48.782 15.231
354 HB2 LEU 48 HB2 LEU 48 41.168 49.708 13.269
355 HB3 LEU 48 HB3 LEU 48 41.658 48.041 13.482
356 HG LEU 48 HG LEU 48 39.636 48.993 11.409
357 HD11 LEU 48 HD11 LEU 48 41.908 49.909 11.071
358 HD12 LEU 48 HD12 LEU 48 42.581 48.269 11.141
359 HD13 LEU 48 HD13 LEU 48 41.485 48.731 9.821
360 HD21 LEU 48 HD21 LEU 48 41.060 46.328 11.835
361 HD22 LEU 48 HD22 LEU 48 39.305 46.622 11.798
362 HD23 LEU 48 HD23 LEU 48 40.252 46.778 10.325
Start of MODEL 4
1 H1 VAL 1 H1 VAL 1 17.266 18.149 25.649
2 H2 VAL 1 H2 VAL 1 17.495 19.668 26.221
3 H3 VAL 1 H3 VAL 1 16.968 18.457 27.237
4 HA VAL 1 HA VAL 1 18.953 17.323 27.193
5 HB VAL 1 HB VAL 1 19.399 17.596 24.822
6 HG11 VAL 1 HG11 VAL 1 20.657 19.495 23.929
7 HG12 VAL 1 HG12 VAL 1 19.088 20.031 24.512
8 HG13 VAL 1 HG13 VAL 1 20.553 20.357 25.472
9 HG21 VAL 1 HG21 VAL 1 21.826 18.413 26.473
10 HG22 VAL 1 HG22 VAL 1 21.165 16.765 26.354
11 HG23 VAL 1 HG23 VAL 1 21.779 17.562 24.912
12 H HIS 2 H HIS 2 20.446 17.703 28.833
13 HA HIS 2 HA HIS 2 20.034 20.120 30.356
14 HB2 HIS 2 HB2 HIS 2 19.957 18.013 31.423
15 HB3 HIS 2 HB3 HIS 2 21.454 17.477 30.683
16 HD2 HIS 2 HD2 HIS 2 23.346 17.362 32.169
17 HE1 HIS 2 HE1 HIS 2 22.643 20.670 34.780
18 HE2 HIS 2 HE2 HIS 2 24.264 18.779 34.237
19 H LYS 3 H LYS 3 22.022 20.929 31.593
20 HA LYS 3 HA LYS 3 23.497 22.555 29.653
21 HB2 LYS 3 HB2 LYS 3 23.176 22.739 32.677
22 HB3 LYS 3 HB3 LYS 3 24.004 23.914 31.670
23 HG2 LYS 3 HG2 LYS 3 21.851 24.748 32.290
24 HG3 LYS 3 HG3 LYS 3 21.941 24.539 30.546
25 HD2 LYS 3 HD2 LYS 3 20.480 22.643 30.599
26 HD3 LYS 3 HD3 LYS 3 20.560 22.511 32.370
27 HE2 LYS 3 HE2 LYS 3 19.537 25.029 31.030
28 HE3 LYS 3 HE3 LYS 3 18.497 23.608 31.106
29 HZ1 LYS 3 HZ1 LYS 3 18.261 25.208 32.958
30 HZ2 LYS 3 HZ2 LYS 3 18.504 23.669 33.471
31 HZ3 LYS 3 HZ3 LYS 3 19.724 24.760 33.540
32 H MET 4 H MET 4 24.532 20.191 29.350
33 HA MET 4 HA MET 4 27.119 20.036 30.864
34 HB2 MET 4 HB2 MET 4 26.990 17.579 30.547
35 HB3 MET 4 HB3 MET 4 25.777 18.243 31.633
36 HG2 MET 4 HG2 MET 4 24.046 18.034 29.911
37 HG3 MET 4 HG3 MET 4 25.230 17.470 28.734
38 HE1 MET 4 HE1 MET 4 23.103 14.273 29.291
39 HE2 MET 4 HE2 MET 4 22.543 15.955 29.243
40 HE3 MET 4 HE3 MET 4 23.787 15.402 28.103
41 H ALA 5 H ALA 5 27.860 21.490 29.253
42 HA ALA 5 HA ALA 5 28.717 22.240 27.338
43 HB1 ALA 5 HB1 ALA 5 29.434 19.357 26.759
44 HB2 ALA 5 HB2 ALA 5 30.187 20.808 26.071
45 HB3 ALA 5 HB3 ALA 5 30.357 20.467 27.805
46 H LYS 6 H LYS 6 25.846 20.959 27.263
47 HA LYS 6 HA LYS 6 25.482 21.087 24.292
48 HB2 LYS 6 HB2 LYS 6 24.129 19.365 26.374
49 HB3 LYS 6 HB3 LYS 6 23.476 19.607 24.742
50 HG2 LYS 6 HG2 LYS 6 25.555 18.807 23.723
51 HG3 LYS 6 HG3 LYS 6 26.297 18.590 25.316
52 HD2 LYS 6 HD2 LYS 6 24.654 16.860 25.890
53 HD3 LYS 6 HD3 LYS 6 23.845 17.090 24.315
54 HE2 LYS 6 HE2 LYS 6 25.831 16.435 23.107
55 HE3 LYS 6 HE3 LYS 6 26.773 16.340 24.603
56 HZ1 LYS 6 HZ1 LYS 6 25.951 14.176 23.759
57 HZ2 LYS 6 HZ2 LYS 6 25.497 14.497 25.312
58 HZ3 LYS 6 HZ3 LYS 6 24.395 14.649 24.104
59 H ASN 7 H ASN 7 25.206 23.109 26.698
60 HA ASN 7 HA ASN 7 23.017 24.547 25.305
61 HB2 ASN 7 HB2 ASN 7 23.084 24.145 28.302
62 HB3 ASN 7 HB3 ASN 7 22.351 25.561 27.594
63 HD21 ASN 7 HD21 ASN 7 22.059 21.994 27.660
64 HD22 ASN 7 HD22 ASN 7 20.351 22.044 27.294
65 H GLN 8 H GLN 8 26.098 24.618 26.894
66 HA GLN 8 HA GLN 8 26.266 27.553 26.995
67 HB2 GLN 8 HB2 GLN 8 28.370 27.143 28.231
68 HB3 GLN 8 HB3 GLN 8 26.916 26.553 29.000
69 HG2 GLN 8 HG2 GLN 8 28.430 24.610 27.228
70 HG3 GLN 8 HG3 GLN 8 29.154 25.061 28.765
71 HE21 GLN 8 HE21 GLN 8 28.013 24.729 30.704
72 HE22 GLN 8 HE22 GLN 8 26.720 23.530 30.813
73 H PHE 9 H PHE 9 26.283 26.035 24.418
74 HA PHE 9 HA PHE 9 27.309 26.150 22.396
75 HB2 PHE 9 HB2 PHE 9 28.922 28.458 23.516
76 HB3 PHE 9 HB3 PHE 9 28.507 28.176 21.836
77 HD1 PHE 9 HD1 PHE 9 26.164 28.446 21.005
78 HD2 PHE 9 HD2 PHE 9 27.232 29.363 25.059
79 HE1 PHE 9 HE1 PHE 9 23.986 29.610 21.318
80 HE2 PHE 9 HE2 PHE 9 25.086 30.557 25.379
81 HZ PHE 9 HZ PHE 9 23.443 30.661 23.503
82 H GLY 10 H GLY 10 28.262 24.329 24.327
83 HA2 GLY 10 HA2 GLY 10 29.916 22.756 24.630
84 HA3 GLY 10 HA3 GLY 10 30.619 23.297 23.109
85 H CYS 11 H CYS 11 30.513 25.849 25.536
86 HA CYS 11 HA CYS 11 33.425 25.820 25.537
87 HB2 CYS 11 HB2 CYS 11 33.323 28.019 25.648
88 HB3 CYS 11 HB3 CYS 11 31.714 27.783 25.014
89 H PHE 12 H PHE 12 34.610 25.239 27.275
90 HA PHE 12 HA PHE 12 33.466 25.679 29.864
91 HB2 PHE 12 HB2 PHE 12 33.221 23.618 30.769
92 HB3 PHE 12 HB3 PHE 12 32.558 23.383 29.182
93 HD1 PHE 12 HD1 PHE 12 34.808 22.208 31.673
94 HD2 PHE 12 HD2 PHE 12 34.241 22.283 27.398
95 HE1 PHE 12 HE1 PHE 12 36.261 20.240 31.459
96 HE2 PHE 12 HE2 PHE 12 35.746 20.309 27.176
97 HZ PHE 12 HZ PHE 12 36.748 19.271 29.198
98 H ALA 13 H ALA 13 34.950 25.024 31.724
99 HA ALA 13 HA ALA 13 36.788 25.595 32.831
100 HB1 ALA 13 HB1 ALA 13 38.329 24.102 30.715
101 HB2 ALA 13 HB2 ALA 13 38.791 24.376 32.403
102 HB3 ALA 13 HB3 ALA 13 37.407 23.324 32.026
103 H ASN 14 H ASN 14 35.872 27.634 31.349
104 HA ASN 14 HA ASN 14 36.281 29.640 30.483
105 HB2 ASN 14 HB2 ASN 14 39.041 29.319 31.716
106 HB3 ASN 14 HB3 ASN 14 38.406 30.826 31.067
107 HD21 ASN 14 HD21 ASN 14 37.643 29.914 34.766
108 HD22 ASN 14 HD22 ASN 14 38.910 29.133 33.825
109 H VAL 15 H VAL 15 37.001 27.176 28.717
110 HA VAL 15 HA VAL 15 38.770 28.558 26.768
111 HB VAL 15 HB VAL 15 37.709 25.731 26.527
112 HG11 VAL 15 HG11 VAL 15 38.609 26.585 24.425
113 HG12 VAL 15 HG12 VAL 15 40.075 27.174 25.253
114 HG13 VAL 15 HG13 VAL 15 39.739 25.440 25.116
115 HG21 VAL 15 HG21 VAL 15 39.988 25.057 27.384
116 HG22 VAL 15 HG22 VAL 15 40.306 26.748 27.804
117 HG23 VAL 15 HG23 VAL 15 39.019 25.838 28.621
118 H ASP 16 H ASP 16 38.180 28.640 24.581
119 HA ASP 16 HA ASP 16 35.314 29.035 23.934
120 HB2 ASP 16 HB2 ASP 16 36.359 31.244 23.828
121 HB3 ASP 16 HB3 ASP 16 37.767 30.599 22.988
122 H VAL 17 H VAL 17 35.226 27.074 23.793
123 HA VAL 17 HA VAL 17 36.974 25.291 22.369
124 HB VAL 17 HB VAL 17 34.289 25.009 23.743
125 HG11 VAL 17 HG11 VAL 17 35.065 22.603 24.107
126 HG12 VAL 17 HG12 VAL 17 34.590 23.005 22.485
127 HG13 VAL 17 HG13 VAL 17 36.328 22.910 22.908
128 HG21 VAL 17 HG21 VAL 17 37.062 24.487 24.856
129 HG22 VAL 17 HG22 VAL 17 35.918 25.768 25.375
130 HG23 VAL 17 HG23 VAL 17 35.538 24.088 25.679
131 H LYS 18 H LYS 18 35.630 23.566 20.866
132 HA LYS 18 HA LYS 18 35.292 25.058 18.461
133 HB2 LYS 18 HB2 LYS 18 34.735 22.105 18.896
134 HB3 LYS 18 HB3 LYS 18 35.047 22.902 17.357
135 HG2 LYS 18 HG2 LYS 18 37.002 22.540 19.652
136 HG3 LYS 18 HG3 LYS 18 37.048 21.756 18.072
137 HD2 LYS 18 HD2 LYS 18 37.498 23.928 16.977
138 HD3 LYS 18 HD3 LYS 18 37.435 24.739 18.556
139 HE2 LYS 18 HE2 LYS 18 39.305 23.308 19.358
140 HE3 LYS 18 HE3 LYS 18 39.447 22.615 17.733
141 HZ1 LYS 18 HZ1 LYS 18 39.905 24.820 16.889
142 HZ2 LYS 18 HZ2 LYS 18 39.680 25.513 18.345
143 HZ3 LYS 18 HZ3 LYS 18 40.973 24.503 18.102
144 H GLY 19 H GLY 19 32.847 24.720 20.658
145 HA2 GLY 19 HA2 GLY 19 30.641 24.936 18.685
146 HA3 GLY 19 HA3 GLY 19 30.502 24.972 20.436
147 H ASP 20 H ASP 20 32.987 26.979 19.927
148 HA ASP 20 HA ASP 20 33.452 29.142 19.895
149 HB2 ASP 20 HB2 ASP 20 31.381 29.285 17.711
150 HB3 ASP 20 HB3 ASP 20 32.650 30.465 18.065
151 H CYS 21 H CYS 21 32.953 29.925 21.849
152 HA CYS 21 HA CYS 21 30.351 31.042 22.523
153 HB2 CYS 21 HB2 CYS 21 32.023 30.252 24.229
154 HB3 CYS 21 HB3 CYS 21 33.151 31.483 23.680
155 H LYS 22 H LYS 22 33.356 32.167 21.088
156 HA LYS 22 HA LYS 22 33.018 34.903 20.617
157 HB2 LYS 22 HB2 LYS 22 34.947 33.496 19.949
158 HB3 LYS 22 HB3 LYS 22 33.953 32.621 18.804
159 HG2 LYS 22 HG2 LYS 22 35.281 34.037 17.495
160 HG3 LYS 22 HG3 LYS 22 33.681 34.734 17.458
161 HD2 LYS 22 HD2 LYS 22 35.329 36.487 17.646
162 HD3 LYS 22 HD3 LYS 22 34.373 36.425 19.125
163 HE2 LYS 22 HE2 LYS 22 36.638 36.835 19.733
164 HE3 LYS 22 HE3 LYS 22 36.202 35.216 20.267
165 HZ1 LYS 22 HZ1 LYS 22 37.450 34.294 18.446
166 HZ2 LYS 22 HZ2 LYS 22 37.798 35.798 17.825
167 HZ3 LYS 22 HZ3 LYS 22 38.407 35.336 19.259
168 H ARG 23 H ARG 23 31.380 32.237 18.781
169 HA ARG 23 HA ARG 23 30.206 34.091 16.857
170 HB2 ARG 23 HB2 ARG 23 30.047 31.090 17.254
171 HB3 ARG 23 HB3 ARG 23 29.259 31.956 15.929
172 HG2 ARG 23 HG2 ARG 23 31.495 32.900 15.247
173 HG3 ARG 23 HG3 ARG 23 32.258 31.943 16.504
174 HD2 ARG 23 HD2 ARG 23 32.592 30.694 14.578
175 HD3 ARG 23 HD3 ARG 23 31.225 29.869 15.352
176 HE ARG 23 HE ARG 23 29.924 31.623 13.781
177 HH11 ARG 23 HH11 ARG 23 32.616 29.513 12.827
178 HH12 ARG 23 HH12 ARG 23 32.200 29.694 11.129
179 HH21 ARG 23 HH21 ARG 23 30.533 30.805 10.474
180 HH22 ARG 23 HH22 ARG 23 29.412 31.537 11.599
181 H HIS 24 H HIS 24 28.946 32.289 19.664
182 HA HIS 24 HA HIS 24 26.171 32.971 19.297
183 HB2 HIS 24 HB2 HIS 24 26.597 31.411 20.975
184 HB3 HIS 24 HB3 HIS 24 27.932 32.327 21.653
185 HD2 HIS 24 HD2 HIS 24 27.458 33.297 23.878
186 HE1 HIS 24 HE1 HIS 24 23.262 33.940 23.677
187 HE2 HIS 24 HE2 HIS 24 25.314 34.096 25.191
188 H CYS 25 H CYS 25 28.729 34.744 21.125
189 HA CYS 25 HA CYS 25 27.108 37.076 21.497
190 HB2 CYS 25 HB2 CYS 25 30.086 36.554 21.613
191 HB3 CYS 25 HB3 CYS 25 29.372 38.106 22.036
192 H LYS 26 H LYS 26 29.140 36.127 18.727
193 HA LYS 26 HA LYS 26 29.283 38.651 17.464
194 HB2 LYS 26 HB2 LYS 26 30.534 36.579 16.785
195 HB3 LYS 26 HB3 LYS 26 29.042 35.931 16.125
196 HG2 LYS 26 HG2 LYS 26 30.405 36.732 14.365
197 HG3 LYS 26 HG3 LYS 26 28.972 37.735 14.439
198 HD2 LYS 26 HD2 LYS 26 31.537 38.577 15.820
199 HD3 LYS 26 HD3 LYS 26 31.379 38.785 14.083
200 HE2 LYS 26 HE2 LYS 26 29.328 39.940 16.000
201 HE3 LYS 26 HE3 LYS 26 30.850 40.757 15.638
202 HZ1 LYS 26 HZ1 LYS 26 28.848 40.031 13.578
203 HZ2 LYS 26 HZ2 LYS 26 29.083 41.536 14.220
204 HZ3 LYS 26 HZ3 LYS 26 30.272 40.839 13.343
205 H ALA 27 H ALA 27 26.487 36.478 17.688
206 HA ALA 27 HA ALA 27 24.983 37.622 15.484
207 HB1 ALA 27 HB1 ALA 27 24.554 35.386 16.497
208 HB2 ALA 27 HB2 ALA 27 24.070 36.181 18.011
209 HB3 ALA 27 HB3 ALA 27 23.116 36.426 16.537
210 H GLU 28 H GLU 28 25.486 38.470 18.852
211 HA GLU 28 HA GLU 28 23.607 40.742 18.824
212 HB2 GLU 28 HB2 GLU 28 25.446 39.586 20.949
213 HB3 GLU 28 HB3 GLU 28 24.255 40.841 21.211
214 HG2 GLU 28 HG2 GLU 28 23.633 38.022 20.307
215 HG3 GLU 28 HG3 GLU 28 23.524 38.575 21.923
216 H ASP 29 H ASP 29 26.393 40.390 17.339
217 HA ASP 29 HA ASP 29 28.214 41.510 16.799
218 HB2 ASP 29 HB2 ASP 29 26.234 43.116 16.280
219 HB3 ASP 29 HB3 ASP 29 26.929 44.118 17.532
220 H LYS 30 H LYS 30 28.174 40.533 19.480
221 HA LYS 30 HA LYS 30 30.046 42.364 20.930
222 HB2 LYS 30 HB2 LYS 30 28.384 40.042 21.979
223 HB3 LYS 30 HB3 LYS 30 29.453 41.058 22.938
224 HG2 LYS 30 HG2 LYS 30 26.937 41.980 21.531
225 HG3 LYS 30 HG3 LYS 30 27.065 41.573 23.236
226 HD2 LYS 30 HD2 LYS 30 28.607 43.381 23.656
227 HD3 LYS 30 HD3 LYS 30 28.704 43.794 21.942
228 HE2 LYS 30 HE2 LYS 30 26.111 43.868 23.530
229 HE3 LYS 30 HE3 LYS 30 27.168 45.270 23.313
230 HZ1 LYS 30 HZ1 LYS 30 26.876 45.119 20.939
231 HZ2 LYS 30 HZ2 LYS 30 25.975 43.771 21.042
232 HZ3 LYS 30 HZ3 LYS 30 25.392 45.201 21.638
233 H GLU 31 H GLU 31 31.744 41.362 22.150
234 HA GLU 31 HA GLU 31 33.197 39.072 20.925
235 HB2 GLU 31 HB2 GLU 31 33.659 40.631 23.500
236 HB3 GLU 31 HB3 GLU 31 34.784 39.500 22.796
237 HG2 GLU 31 HG2 GLU 31 33.970 41.935 21.164
238 HG3 GLU 31 HG3 GLU 31 35.151 42.064 22.443
239 H GLY 32 H GLY 32 33.671 37.097 22.190
240 HA2 GLY 32 HA2 GLY 32 31.672 36.459 24.320
241 HA3 GLY 32 HA3 GLY 32 31.742 35.442 22.901
242 H ILE 33 H ILE 33 32.693 35.637 26.026
243 HA ILE 33 HA ILE 33 34.928 33.757 25.614
244 HB ILE 33 HB ILE 33 35.957 34.817 27.762
245 HG12 ILE 33 HG12 ILE 33 35.978 37.282 27.716
246 HG13 ILE 33 HG13 ILE 33 34.701 37.278 26.490
247 HG21 ILE 33 HG21 ILE 33 36.311 36.052 25.006
248 HG22 ILE 33 HG22 ILE 33 37.492 36.074 26.333
249 HG23 ILE 33 HG23 ILE 33 37.059 34.539 25.571
250 HD11 ILE 33 HD11 ILE 33 34.439 36.191 29.327
251 HD12 ILE 33 HD12 ILE 33 33.865 37.781 28.761
252 HD13 ILE 33 HD13 ILE 33 33.127 36.316 28.131
253 H CYS 34 H CYS 34 35.246 32.199 27.198
254 HA CYS 34 HA CYS 34 32.655 31.437 28.358
255 HB2 CYS 34 HB2 CYS 34 34.167 29.963 26.956
256 HB3 CYS 34 HB3 CYS 34 35.219 29.860 28.358
257 H HIS 35 H HIS 35 32.113 31.951 30.312
258 HA HIS 35 HA HIS 35 34.082 32.393 32.522
259 HB2 HIS 35 HB2 HIS 35 31.100 32.916 32.214
260 HB3 HIS 35 HB3 HIS 35 31.890 32.914 33.786
261 HD2 HIS 35 HD2 HIS 35 32.429 34.826 30.389
262 HE1 HIS 35 HE1 HIS 35 33.077 37.517 33.627
263 HE2 HIS 35 HE2 HIS 35 33.052 37.297 31.105
264 H GLY 36 H GLY 36 34.856 30.328 32.751
265 HA2 GLY 36 HA2 GLY 36 34.996 28.256 33.754
266 HA3 GLY 36 HA3 GLY 36 33.470 28.607 34.563
267 H THR 37 H THR 37 31.708 27.418 33.944
268 HA THR 37 HA THR 37 31.778 25.780 31.441
269 HB THR 37 HB THR 37 29.919 24.504 32.548
270 HG1 THR 37 HG1 THR 37 29.881 24.813 34.878
271 HG21 THR 37 HG21 THR 37 32.233 23.681 32.669
272 HG22 THR 37 HG22 THR 37 32.502 24.627 34.149
273 HG23 THR 37 HG23 THR 37 31.326 23.292 34.114
274 H LYS 38 H LYS 38 30.726 28.789 32.020
275 HA LYS 38 HA LYS 38 28.301 28.531 30.274
276 HB2 LYS 38 HB2 LYS 38 28.924 30.742 32.273
277 HB3 LYS 38 HB3 LYS 38 27.440 30.547 31.337
278 HG2 LYS 38 HG2 LYS 38 28.431 28.728 33.564
279 HG3 LYS 38 HG3 LYS 38 27.131 29.911 33.681
280 HD2 LYS 38 HD2 LYS 38 25.793 28.669 32.040
281 HD3 LYS 38 HD3 LYS 38 27.065 27.461 31.851
282 HE2 LYS 38 HE2 LYS 38 25.725 28.114 34.494
283 HE3 LYS 38 HE3 LYS 38 25.173 26.830 33.400
284 HZ1 LYS 38 HZ1 LYS 38 26.605 25.995 35.146
285 HZ2 LYS 38 HZ2 LYS 38 27.267 25.695 33.703
286 HZ3 LYS 38 HZ3 LYS 38 27.872 26.924 34.655
287 H CYS 39 H CYS 39 27.998 30.076 28.633
288 HA CYS 39 HA CYS 39 30.477 31.522 27.755
289 HB2 CYS 39 HB2 CYS 39 29.446 29.971 26.124
290 HB3 CYS 39 HB3 CYS 39 27.919 30.837 26.330
291 H LYS 40 H LYS 40 30.566 33.753 27.836
292 HA LYS 40 HA LYS 40 28.040 35.296 28.042
293 HB2 LYS 40 HB2 LYS 40 30.305 35.432 30.062
294 HB3 LYS 40 HB3 LYS 40 29.071 36.675 29.904
295 HG2 LYS 40 HG2 LYS 40 27.309 34.935 30.300
296 HG3 LYS 40 HG3 LYS 40 28.586 33.742 30.584
297 HD2 LYS 40 HD2 LYS 40 29.390 35.013 32.533
298 HD3 LYS 40 HD3 LYS 40 28.129 36.247 32.254
299 HE2 LYS 40 HE2 LYS 40 26.378 34.518 32.444
300 HE3 LYS 40 HE3 LYS 40 27.600 33.265 32.681
301 HZ1 LYS 40 HZ1 LYS 40 26.624 33.991 34.773
302 HZ2 LYS 40 HZ2 LYS 40 28.230 34.406 34.769
303 HZ3 LYS 40 HZ3 LYS 40 27.072 35.523 34.545
304 H CYS 41 H CYS 41 28.187 37.484 27.466
305 HA CYS 41 HA CYS 41 30.350 37.891 25.524
306 HB2 CYS 41 HB2 CYS 41 27.969 39.682 25.913
307 HB3 CYS 41 HB3 CYS 41 29.104 39.663 24.599
308 H GLY 42 H GLY 42 31.441 39.799 25.180
309 HA2 GLY 42 HA2 GLY 42 32.483 41.016 27.695
310 HA3 GLY 42 HA3 GLY 42 33.316 40.938 26.130
311 H VAL 43 H VAL 43 32.931 42.461 24.606
312 HA VAL 43 HA VAL 43 31.151 44.768 25.113
313 HB VAL 43 HB VAL 43 33.048 46.255 24.430
314 HG11 VAL 43 HG11 VAL 43 34.336 46.182 26.459
315 HG12 VAL 43 HG12 VAL 43 32.651 45.790 26.841
316 HG13 VAL 43 HG13 VAL 43 33.872 44.498 26.764
317 HG21 VAL 43 HG21 VAL 43 34.825 43.784 24.560
318 HG22 VAL 43 HG22 VAL 43 34.358 44.640 23.075
319 HG23 VAL 43 HG23 VAL 43 35.331 45.460 24.294
320 HA PRO 44 HA PRO 44 30.228 44.822 20.676
321 HB2 PRO 44 HB2 PRO 44 31.631 47.516 20.744
322 HB3 PRO 44 HB3 PRO 44 30.140 47.064 19.860
323 HG2 PRO 44 HG2 PRO 44 29.935 48.361 22.202
324 HG3 PRO 44 HG3 PRO 44 28.874 46.948 21.885
325 HD2 PRO 44 HD2 PRO 44 31.362 47.079 23.584
326 HD3 PRO 44 HD3 PRO 44 29.848 46.190 23.858
327 H ILE 45 H ILE 45 31.233 44.143 18.801
328 HA ILE 45 HA ILE 45 34.072 43.527 18.804
329 HB ILE 45 HB ILE 45 33.717 42.676 16.548
330 HG12 ILE 45 HG12 ILE 45 31.160 42.658 15.840
331 HG13 ILE 45 HG13 ILE 45 31.054 44.114 16.733
332 HG21 ILE 45 HG21 ILE 45 33.118 41.381 18.605
333 HG22 ILE 45 HG22 ILE 45 31.426 41.849 18.355
334 HG23 ILE 45 HG23 ILE 45 32.278 40.868 17.142
335 HD11 ILE 45 HD11 ILE 45 31.401 44.404 14.273
336 HD12 ILE 45 HD12 ILE 45 32.684 45.186 15.192
337 HD13 ILE 45 HD13 ILE 45 32.986 43.617 14.420
338 H SER 46 H SER 46 32.311 46.289 17.766
339 HA SER 46 HA SER 46 34.265 47.506 16.081
340 HB2 SER 46 HB2 SER 46 32.027 48.417 16.330
341 HB3 SER 46 HB3 SER 46 32.329 48.762 18.040
342 HG SER 46 HG SER 46 32.687 50.622 16.957
343 H TYR 47 H TYR 47 36.390 47.462 16.644
344 HA TYR 47 HA TYR 47 37.260 47.998 19.393
345 HB2 TYR 47 HB2 TYR 47 39.043 47.404 17.049
346 HB3 TYR 47 HB3 TYR 47 39.394 47.207 18.765
347 HD1 TYR 47 HD1 TYR 47 37.206 45.675 19.897
348 HD2 TYR 47 HD2 TYR 47 39.055 45.326 16.006
349 HE1 TYR 47 HE1 TYR 47 36.387 43.335 19.714
350 HE2 TYR 47 HE2 TYR 47 38.208 42.993 15.816
351 HH TYR 47 HH TYR 47 36.271 41.418 18.391
352 H LEU 48 H LEU 48 36.096 50.160 17.709
353 HA LEU 48 HA LEU 48 38.028 52.194 17.185
354 HB2 LEU 48 HB2 LEU 48 35.826 51.873 16.089
355 HB3 LEU 48 HB3 LEU 48 35.011 52.120 17.630
356 HG LEU 48 HG LEU 48 35.817 54.423 17.694
357 HD11 LEU 48 HD11 LEU 48 36.755 55.455 15.625
358 HD12 LEU 48 HD12 LEU 48 37.859 54.255 16.303
359 HD13 LEU 48 HD13 LEU 48 36.872 53.846 14.884
360 HD21 LEU 48 HD21 LEU 48 33.623 53.917 16.759
361 HD22 LEU 48 HD22 LEU 48 34.360 55.221 15.814
362 HD23 LEU 48 HD23 LEU 48 34.335 53.577 15.167
Start of MODEL 5
1 H1 VAL 1 H1 VAL 1 21.232 12.965 35.240
2 H2 VAL 1 H2 VAL 1 20.342 14.306 34.881
3 H3 VAL 1 H3 VAL 1 21.167 14.223 36.280
4 HA VAL 1 HA VAL 1 23.274 14.279 35.173
5 HB VAL 1 HB VAL 1 23.379 14.661 32.742
6 HG11 VAL 1 HG11 VAL 1 23.762 12.422 33.719
7 HG12 VAL 1 HG12 VAL 1 22.047 12.019 33.454
8 HG13 VAL 1 HG13 VAL 1 23.108 12.357 32.078
9 HG21 VAL 1 HG21 VAL 1 21.518 14.129 31.276
10 HG22 VAL 1 HG22 VAL 1 20.448 13.803 32.646
11 HG23 VAL 1 HG23 VAL 1 21.041 15.452 32.336
12 H HIS 2 H HIS 2 24.327 16.216 34.413
13 HA HIS 2 HA HIS 2 22.866 18.758 34.816
14 HB2 HIS 2 HB2 HIS 2 25.183 19.635 34.743
15 HB3 HIS 2 HB3 HIS 2 25.011 18.350 35.910
16 HD2 HIS 2 HD2 HIS 2 27.835 18.561 35.453
17 HE1 HIS 2 HE1 HIS 2 27.755 15.860 32.171
18 HE2 HIS 2 HE2 HIS 2 29.257 17.002 33.855
19 H LYS 3 H LYS 3 24.047 20.480 33.207
20 HA LYS 3 HA LYS 3 23.444 19.745 30.375
21 HB2 LYS 3 HB2 LYS 3 24.314 22.298 31.779
22 HB3 LYS 3 HB3 LYS 3 24.461 22.115 30.042
23 HG2 LYS 3 HG2 LYS 3 22.432 23.309 30.565
24 HG3 LYS 3 HG3 LYS 3 22.079 21.771 29.769
25 HD2 LYS 3 HD2 LYS 3 21.361 20.793 31.901
26 HD3 LYS 3 HD3 LYS 3 21.783 22.296 32.758
27 HE2 LYS 3 HE2 LYS 3 20.148 23.545 31.386
28 HE3 LYS 3 HE3 LYS 3 19.779 22.076 30.465
29 HZ1 LYS 3 HZ1 LYS 3 18.121 22.421 32.154
30 HZ2 LYS 3 HZ2 LYS 3 18.977 21.077 32.534
31 HZ3 LYS 3 HZ3 LYS 3 19.227 22.479 33.363
32 H MET 4 H MET 4 25.161 19.589 28.792
33 HA MET 4 HA MET 4 27.830 18.964 29.955
34 HB2 MET 4 HB2 MET 4 27.808 16.763 28.797
35 HB3 MET 4 HB3 MET 4 26.763 16.910 30.199
36 HG2 MET 4 HG2 MET 4 24.804 17.250 28.635
37 HG3 MET 4 HG3 MET 4 25.897 16.891 27.290
38 HE1 MET 4 HE1 MET 4 25.363 15.326 30.966
39 HE2 MET 4 HE2 MET 4 23.768 15.625 30.259
40 HE3 MET 4 HE3 MET 4 24.328 13.958 30.519
41 H ALA 5 H ALA 5 28.082 20.986 29.000
42 HA ALA 5 HA ALA 5 28.792 22.455 27.568
43 HB1 ALA 5 HB1 ALA 5 30.368 21.803 25.938
44 HB2 ALA 5 HB2 ALA 5 30.477 20.619 27.220
45 HB3 ALA 5 HB3 ALA 5 29.635 20.202 25.712
46 H LYS 6 H LYS 6 26.026 20.643 26.499
47 HA LYS 6 HA LYS 6 25.984 22.055 23.868
48 HB2 LYS 6 HB2 LYS 6 24.127 19.819 24.731
49 HB3 LYS 6 HB3 LYS 6 24.256 20.587 23.157
50 HG2 LYS 6 HG2 LYS 6 26.751 19.787 23.186
51 HG3 LYS 6 HG3 LYS 6 26.199 18.684 24.470
52 HD2 LYS 6 HD2 LYS 6 24.394 17.864 22.897
53 HD3 LYS 6 HD3 LYS 6 25.066 18.929 21.656
54 HE2 LYS 6 HE2 LYS 6 27.300 17.693 22.018
55 HE3 LYS 6 HE3 LYS 6 26.365 16.518 22.957
56 HZ1 LYS 6 HZ1 LYS 6 26.052 17.178 20.081
57 HZ2 LYS 6 HZ2 LYS 6 26.526 15.760 20.723
58 HZ3 LYS 6 HZ3 LYS 6 24.959 16.262 20.905
59 H ASN 7 H ASN 7 25.310 23.055 26.666
60 HA ASN 7 HA ASN 7 23.085 24.717 25.683
61 HB2 ASN 7 HB2 ASN 7 23.142 23.136 28.167
62 HB3 ASN 7 HB3 ASN 7 22.827 24.834 28.486
63 HD21 ASN 7 HD21 ASN 7 20.112 22.730 26.297
64 HD22 ASN 7 HD22 ASN 7 21.657 21.997 26.614
65 H GLN 8 H GLN 8 26.232 24.613 26.562
66 HA GLN 8 HA GLN 8 26.370 27.574 26.770
67 HB2 GLN 8 HB2 GLN 8 28.469 27.258 28.087
68 HB3 GLN 8 HB3 GLN 8 26.990 26.831 28.910
69 HG2 GLN 8 HG2 GLN 8 28.572 24.670 27.478
70 HG3 GLN 8 HG3 GLN 8 29.133 25.292 29.024
71 HE21 GLN 8 HE21 GLN 8 27.664 25.241 30.869
72 HE22 GLN 8 HE22 GLN 8 26.505 23.929 30.958
73 H PHE 9 H PHE 9 26.170 26.073 24.413
74 HA PHE 9 HA PHE 9 27.021 26.203 22.290
75 HB2 PHE 9 HB2 PHE 9 28.975 28.202 23.396
76 HB3 PHE 9 HB3 PHE 9 28.356 28.139 21.745
77 HD1 PHE 9 HD1 PHE 9 25.829 28.388 21.335
78 HD2 PHE 9 HD2 PHE 9 27.721 29.498 25.038
79 HE1 PHE 9 HE1 PHE 9 23.786 29.638 22.000
80 HE2 PHE 9 HE2 PHE 9 25.670 30.736 25.716
81 HZ PHE 9 HZ PHE 9 23.695 30.784 24.204
82 H GLY 10 H GLY 10 28.440 24.322 24.247
83 HA2 GLY 10 HA2 GLY 10 30.212 22.856 24.145
84 HA3 GLY 10 HA3 GLY 10 30.566 23.434 22.514
85 H CYS 11 H CYS 11 30.563 25.599 25.381
86 HA CYS 11 HA CYS 11 33.520 25.520 25.717
87 HB2 CYS 11 HB2 CYS 11 32.616 27.269 23.979
88 HB3 CYS 11 HB3 CYS 11 32.251 28.156 25.456
89 H PHE 12 H PHE 12 34.038 25.422 27.778
90 HA PHE 12 HA PHE 12 32.248 26.530 29.859
91 HB2 PHE 12 HB2 PHE 12 31.805 24.358 30.859
92 HB3 PHE 12 HB3 PHE 12 31.179 24.421 29.232
93 HD1 PHE 12 HD1 PHE 12 33.499 22.744 31.492
94 HD2 PHE 12 HD2 PHE 12 32.271 23.131 27.379
95 HE1 PHE 12 HE1 PHE 12 34.712 20.657 30.937
96 HE2 PHE 12 HE2 PHE 12 33.485 21.028 26.828
97 HZ PHE 12 HZ PHE 12 34.724 19.810 28.595
98 H ALA 13 H ALA 13 33.061 26.235 32.028
99 HA ALA 13 HA ALA 13 34.587 26.334 33.668
100 HB1 ALA 13 HB1 ALA 13 35.851 24.284 34.001
101 HB2 ALA 13 HB2 ALA 13 34.224 23.934 33.400
102 HB3 ALA 13 HB3 ALA 13 35.624 23.845 32.294
103 H ASN 14 H ASN 14 35.315 28.075 31.625
104 HA ASN 14 HA ASN 14 36.917 29.481 30.967
105 HB2 ASN 14 HB2 ASN 14 38.515 28.402 33.324
106 HB3 ASN 14 HB3 ASN 14 38.923 29.830 32.375
107 HD21 ASN 14 HD21 ASN 14 36.287 30.038 35.327
108 HD22 ASN 14 HD22 ASN 14 36.988 28.485 34.908
109 H VAL 15 H VAL 15 36.789 26.783 29.610
110 HA VAL 15 HA VAL 15 39.662 26.376 28.929
111 HB VAL 15 HB VAL 15 37.248 24.704 28.184
112 HG11 VAL 15 HG11 VAL 15 40.238 24.128 27.979
113 HG12 VAL 15 HG12 VAL 15 38.976 22.894 27.841
114 HG13 VAL 15 HG13 VAL 15 39.061 24.161 26.644
115 HG21 VAL 15 HG21 VAL 15 39.327 24.263 30.374
116 HG22 VAL 15 HG22 VAL 15 37.614 24.655 30.642
117 HG23 VAL 15 HG23 VAL 15 38.040 23.121 29.912
118 H ASP 16 H ASP 16 39.888 25.842 26.496
119 HA ASP 16 HA ASP 16 38.488 27.850 24.837
120 HB2 ASP 16 HB2 ASP 16 40.829 28.674 25.325
121 HB3 ASP 16 HB3 ASP 16 41.488 27.125 24.796
122 H VAL 17 H VAL 17 37.193 26.301 24.921
123 HA VAL 17 HA VAL 17 37.555 23.743 23.622
124 HB VAL 17 HB VAL 17 34.966 25.030 24.321
125 HG11 VAL 17 HG11 VAL 17 34.984 22.777 23.349
126 HG12 VAL 17 HG12 VAL 17 36.016 22.197 24.675
127 HG13 VAL 17 HG13 VAL 17 34.360 22.728 24.991
128 HG21 VAL 17 HG21 VAL 17 35.078 24.138 26.666
129 HG22 VAL 17 HG22 VAL 17 36.774 23.755 26.376
130 HG23 VAL 17 HG23 VAL 17 36.211 25.469 26.404
131 H LYS 18 H LYS 18 36.580 23.147 21.650
132 HA LYS 18 HA LYS 18 36.630 25.429 19.759
133 HB2 LYS 18 HB2 LYS 18 36.704 22.512 19.005
134 HB3 LYS 18 HB3 LYS 18 37.142 23.919 18.040
135 HG2 LYS 18 HG2 LYS 18 38.590 22.846 20.475
136 HG3 LYS 18 HG3 LYS 18 39.129 22.758 18.802
137 HD2 LYS 18 HD2 LYS 18 39.407 25.204 18.719
138 HD3 LYS 18 HD3 LYS 18 38.798 25.352 20.389
139 HE2 LYS 18 HE2 LYS 18 40.622 23.822 21.150
140 HE3 LYS 18 HE3 LYS 18 41.281 23.833 19.508
141 HZ1 LYS 18 HZ1 LYS 18 41.490 26.279 19.733
142 HZ2 LYS 18 HZ2 LYS 18 41.019 26.194 21.309
143 HZ3 LYS 18 HZ3 LYS 18 42.399 25.462 20.838
144 H GLY 19 H GLY 19 34.127 24.357 21.323
145 HA2 GLY 19 HA2 GLY 19 32.105 24.227 19.232
146 HA3 GLY 19 HA3 GLY 19 31.841 24.488 20.965
147 H ASP 20 H ASP 20 33.693 26.779 21.037
148 HA ASP 20 HA ASP 20 33.650 29.006 21.093
149 HB2 ASP 20 HB2 ASP 20 32.892 28.697 18.180
150 HB3 ASP 20 HB3 ASP 20 33.375 30.207 18.940
151 H CYS 21 H CYS 21 32.444 30.293 22.215
152 HA CYS 21 HA CYS 21 29.520 30.617 21.821
153 HB2 CYS 21 HB2 CYS 21 31.454 32.113 23.616
154 HB3 CYS 21 HB3 CYS 21 29.697 32.158 23.662
155 H LYS 22 H LYS 22 32.355 31.884 20.434
156 HA LYS 22 HA LYS 22 32.013 34.498 19.796
157 HB2 LYS 22 HB2 LYS 22 33.801 32.962 18.941
158 HB3 LYS 22 HB3 LYS 22 32.631 32.199 17.880
159 HG2 LYS 22 HG2 LYS 22 33.806 33.583 16.449
160 HG3 LYS 22 HG3 LYS 22 32.323 34.464 16.735
161 HD2 LYS 22 HD2 LYS 22 34.129 36.015 16.732
162 HD3 LYS 22 HD3 LYS 22 33.578 35.899 18.418
163 HE2 LYS 22 HE2 LYS 22 35.460 34.444 18.971
164 HE3 LYS 22 HE3 LYS 22 35.901 34.284 17.268
165 HZ1 LYS 22 HZ1 LYS 22 37.311 35.850 18.428
166 HZ2 LYS 22 HZ2 LYS 22 36.537 36.600 17.223
167 HZ3 LYS 22 HZ3 LYS 22 36.037 36.850 18.769
168 H ARG 23 H ARG 23 30.114 31.859 18.149
169 HA ARG 23 HA ARG 23 28.959 33.656 16.206
170 HB2 ARG 23 HB2 ARG 23 27.715 31.046 17.095
171 HB3 ARG 23 HB3 ARG 23 27.524 31.875 15.565
172 HG2 ARG 23 HG2 ARG 23 29.917 31.412 15.028
173 HG3 ARG 23 HG3 ARG 23 30.065 30.505 16.545
174 HD2 ARG 23 HD2 ARG 23 28.146 29.889 14.264
175 HD3 ARG 23 HD3 ARG 23 29.653 29.045 14.606
176 HE ARG 23 HE ARG 23 27.075 28.817 16.051
177 HH11 ARG 23 HH11 ARG 23 30.518 28.023 16.247
178 HH12 ARG 23 HH12 ARG 23 30.275 27.144 17.731
179 HH21 ARG 23 HH21 ARG 23 28.254 26.513 18.329
180 HH22 ARG 23 HH22 ARG 23 26.841 27.278 17.665
181 H HIS 24 H HIS 24 27.691 32.307 19.232
182 HA HIS 24 HA HIS 24 25.093 33.473 19.160
183 HB2 HIS 24 HB2 HIS 24 25.460 31.657 20.623
184 HB3 HIS 24 HB3 HIS 24 26.941 32.340 21.269
185 HD2 HIS 24 HD2 HIS 24 26.780 33.124 23.624
186 HE1 HIS 24 HE1 HIS 24 22.640 34.121 23.855
187 HE2 HIS 24 HE2 HIS 24 24.806 33.933 25.189
188 H CYS 25 H CYS 25 28.118 34.701 20.634
189 HA CYS 25 HA CYS 25 26.822 37.203 21.412
190 HB2 CYS 25 HB2 CYS 25 29.657 36.198 21.396
191 HB3 CYS 25 HB3 CYS 25 29.232 37.834 21.895
192 H LYS 26 H LYS 26 28.623 36.226 18.478
193 HA LYS 26 HA LYS 26 29.015 38.874 17.454
194 HB2 LYS 26 HB2 LYS 26 29.989 36.573 16.685
195 HB3 LYS 26 HB3 LYS 26 28.523 36.404 15.756
196 HG2 LYS 26 HG2 LYS 26 30.286 37.182 14.351
197 HG3 LYS 26 HG3 LYS 26 29.141 38.504 14.520
198 HD2 LYS 26 HD2 LYS 26 31.559 39.160 14.558
199 HD3 LYS 26 HD3 LYS 26 30.640 39.729 15.951
200 HE2 LYS 26 HE2 LYS 26 31.646 38.200 17.431
201 HE3 LYS 26 HE3 LYS 26 32.204 37.140 16.120
202 HZ1 LYS 26 HZ1 LYS 26 33.318 39.859 16.234
203 HZ2 LYS 26 HZ2 LYS 26 33.912 38.738 17.280
204 HZ3 LYS 26 HZ3 LYS 26 33.979 38.525 15.649
205 H ALA 27 H ALA 27 26.127 36.954 17.706
206 HA ALA 27 HA ALA 27 24.474 38.414 15.840
207 HB1 ALA 27 HB1 ALA 27 22.669 37.234 16.931
208 HB2 ALA 27 HB2 ALA 27 24.030 36.096 16.810
209 HB3 ALA 27 HB3 ALA 27 23.665 36.901 18.353
210 H GLU 28 H GLU 28 25.688 39.108 19.036
211 HA GLU 28 HA GLU 28 23.722 41.276 19.551
212 HB2 GLU 28 HB2 GLU 28 25.964 40.322 21.367
213 HB3 GLU 28 HB3 GLU 28 24.553 41.301 21.761
214 HG2 GLU 28 HG2 GLU 28 23.204 39.146 21.112
215 HG3 GLU 28 HG3 GLU 28 24.746 38.322 21.260
216 H ASP 29 H ASP 29 26.354 41.135 17.701
217 HA ASP 29 HA ASP 29 28.123 42.343 17.136
218 HB2 ASP 29 HB2 ASP 29 28.163 44.641 17.048
219 HB3 ASP 29 HB3 ASP 29 26.505 44.142 16.821
220 H LYS 30 H LYS 30 28.278 40.772 19.505
221 HA LYS 30 HA LYS 30 30.506 42.126 20.980
222 HB2 LYS 30 HB2 LYS 30 28.628 39.962 22.017
223 HB3 LYS 30 HB3 LYS 30 29.877 40.801 22.934
224 HG2 LYS 30 HG2 LYS 30 27.366 42.069 21.833
225 HG3 LYS 30 HG3 LYS 30 27.578 41.511 23.484
226 HD2 LYS 30 HD2 LYS 30 29.269 43.130 23.945
227 HD3 LYS 30 HD3 LYS 30 29.413 43.574 22.246
228 HE2 LYS 30 HE2 LYS 30 26.882 43.990 23.871
229 HE3 LYS 30 HE3 LYS 30 28.103 45.238 23.628
230 HZ1 LYS 30 HZ1 LYS 30 26.263 45.392 22.002
231 HZ2 LYS 30 HZ2 LYS 30 27.668 45.103 21.191
232 HZ3 LYS 30 HZ3 LYS 30 26.599 43.918 21.425
233 H GLU 31 H GLU 31 32.086 40.732 21.949
234 HA GLU 31 HA GLU 31 32.836 38.291 20.417
235 HB2 GLU 31 HB2 GLU 31 33.943 39.709 22.867
236 HB3 GLU 31 HB3 GLU 31 34.575 38.169 22.331
237 HG2 GLU 31 HG2 GLU 31 34.431 40.552 20.448
238 HG3 GLU 31 HG3 GLU 31 35.810 40.241 21.503
239 H GLY 32 H GLY 32 33.006 36.185 21.453
240 HA2 GLY 32 HA2 GLY 32 31.148 35.747 23.772
241 HA3 GLY 32 HA3 GLY 32 31.332 34.587 22.478
242 H ILE 33 H ILE 33 32.182 35.178 25.583
243 HA ILE 33 HA ILE 33 34.731 33.691 25.386
244 HB ILE 33 HB ILE 33 35.595 35.075 27.319
245 HG12 ILE 33 HG12 ILE 33 34.914 37.509 27.149
246 HG13 ILE 33 HG13 ILE 33 33.471 36.999 26.288
247 HG21 ILE 33 HG21 ILE 33 36.600 36.647 25.759
248 HG22 ILE 33 HG22 ILE 33 36.425 35.079 24.965
249 HG23 ILE 33 HG23 ILE 33 35.293 36.392 24.587
250 HD11 ILE 33 HD11 ILE 33 33.212 37.505 28.761
251 HD12 ILE 33 HD12 ILE 33 32.623 35.910 28.284
252 HD13 ILE 33 HD13 ILE 33 34.211 36.074 29.084
253 H CYS 34 H CYS 34 35.137 32.108 26.633
254 HA CYS 34 HA CYS 34 32.852 31.046 28.050
255 HB2 CYS 34 HB2 CYS 34 35.386 29.528 27.607
256 HB3 CYS 34 HB3 CYS 34 33.716 28.966 27.573
257 H HIS 35 H HIS 35 33.930 32.982 29.668
258 HA HIS 35 HA HIS 35 35.764 31.870 31.547
259 HB2 HIS 35 HB2 HIS 35 35.946 33.884 32.597
260 HB3 HIS 35 HB3 HIS 35 35.770 34.223 30.894
261 HD2 HIS 35 HD2 HIS 35 32.732 34.738 30.445
262 HE1 HIS 35 HE1 HIS 35 33.180 37.665 33.498
263 HE2 HIS 35 HE2 HIS 35 31.853 37.002 31.448
264 H GLY 36 H GLY 36 33.726 30.140 31.577
265 HA2 GLY 36 HA2 GLY 36 33.624 29.218 34.121
266 HA3 GLY 36 HA3 GLY 36 32.168 30.219 34.041
267 H THR 37 H THR 37 31.420 27.737 34.443
268 HA THR 37 HA THR 37 30.960 26.199 31.991
269 HB THR 37 HB THR 37 29.177 25.047 33.343
270 HG1 THR 37 HG1 THR 37 28.998 25.493 35.450
271 HG21 THR 37 HG21 THR 37 31.469 24.170 33.189
272 HG22 THR 37 HG22 THR 37 31.965 25.156 34.585
273 HG23 THR 37 HG23 THR 37 30.764 23.855 34.778
274 H LYS 38 H LYS 38 29.495 29.014 33.377
275 HA LYS 38 HA LYS 38 27.334 28.923 31.302
276 HB2 LYS 38 HB2 LYS 38 27.722 30.939 33.550
277 HB3 LYS 38 HB3 LYS 38 26.329 30.786 32.481
278 HG2 LYS 38 HG2 LYS 38 27.234 28.808 34.596
279 HG3 LYS 38 HG3 LYS 38 25.836 29.872 34.685
280 HD2 LYS 38 HD2 LYS 38 24.796 28.665 32.768
281 HD3 LYS 38 HD3 LYS 38 26.177 27.553 32.718
282 HE2 LYS 38 HE2 LYS 38 24.358 27.938 35.134
283 HE3 LYS 38 HE3 LYS 38 24.178 26.656 33.930
284 HZ1 LYS 38 HZ1 LYS 38 26.521 27.032 35.716
285 HZ2 LYS 38 HZ2 LYS 38 25.382 25.866 35.818
286 HZ3 LYS 38 HZ3 LYS 38 26.393 25.846 34.547
287 H CYS 39 H CYS 39 27.716 29.855 29.427
288 HA CYS 39 HA CYS 39 30.223 31.385 29.100
289 HB2 CYS 39 HB2 CYS 39 29.439 29.456 27.574
290 HB3 CYS 39 HB3 CYS 39 28.375 30.648 26.853
291 H LYS 40 H LYS 40 30.379 33.468 28.132
292 HA LYS 40 HA LYS 40 27.966 35.183 28.314
293 HB2 LYS 40 HB2 LYS 40 30.543 35.372 29.924
294 HB3 LYS 40 HB3 LYS 40 29.430 36.731 29.729
295 HG2 LYS 40 HG2 LYS 40 27.582 35.365 30.734
296 HG3 LYS 40 HG3 LYS 40 28.747 34.061 31.018
297 HD2 LYS 40 HD2 LYS 40 30.089 35.575 32.464
298 HD3 LYS 40 HD3 LYS 40 28.882 36.858 32.215
299 HE2 LYS 40 HE2 LYS 40 27.146 35.333 33.188
300 HE3 LYS 40 HE3 LYS 40 28.387 34.108 33.452
301 HZ1 LYS 40 HZ1 LYS 40 29.528 35.775 34.931
302 HZ2 LYS 40 HZ2 LYS 40 28.195 36.764 34.780
303 HZ3 LYS 40 HZ3 LYS 40 28.043 35.336 35.455
304 H CYS 41 H CYS 41 28.346 37.390 27.467
305 HA CYS 41 HA CYS 41 30.276 37.293 25.242
306 HB2 CYS 41 HB2 CYS 41 28.315 39.497 25.837
307 HB3 CYS 41 HB3 CYS 41 29.356 39.329 24.445
308 H GLY 42 H GLY 42 31.713 38.986 24.771
309 HA2 GLY 42 HA2 GLY 42 33.284 39.689 27.177
310 HA3 GLY 42 HA3 GLY 42 33.872 39.628 25.511
311 H VAL 43 H VAL 43 33.637 41.414 24.190
312 HA VAL 43 HA VAL 43 32.370 43.849 25.267
313 HB VAL 43 HB VAL 43 34.305 45.172 24.489
314 HG11 VAL 43 HG11 VAL 43 35.256 42.950 26.326
315 HG12 VAL 43 HG12 VAL 43 35.897 44.595 26.212
316 HG13 VAL 43 HG13 VAL 43 34.256 44.328 26.833
317 HG21 VAL 43 HG21 VAL 43 36.418 44.132 23.825
318 HG22 VAL 43 HG22 VAL 43 35.670 42.526 23.860
319 HG23 VAL 43 HG23 VAL 43 35.142 43.737 22.671
320 HA PRO 44 HA PRO 44 30.763 44.601 21.128
321 HB2 PRO 44 HB2 PRO 44 32.134 47.281 21.356
322 HB3 PRO 44 HB3 PRO 44 30.467 46.912 20.804
323 HG2 PRO 44 HG2 PRO 44 30.926 47.865 23.308
324 HG3 PRO 44 HG3 PRO 44 29.718 46.576 23.032
325 HD2 PRO 44 HD2 PRO 44 32.532 46.301 24.108
326 HD3 PRO 44 HD3 PRO 44 31.038 45.457 24.586
327 H ILE 45 H ILE 45 31.480 44.134 19.126
328 HA ILE 45 HA ILE 45 34.274 43.592 18.664
329 HB ILE 45 HB ILE 45 33.625 42.976 16.428
330 HG12 ILE 45 HG12 ILE 45 30.988 43.168 15.986
331 HG13 ILE 45 HG13 ILE 45 31.123 44.600 16.965
332 HG21 ILE 45 HG21 ILE 45 31.456 42.099 18.371
333 HG22 ILE 45 HG22 ILE 45 32.022 41.254 16.934
334 HG23 ILE 45 HG23 ILE 45 33.102 41.456 18.329
335 HD11 ILE 45 HD11 ILE 45 32.812 44.037 14.478
336 HD12 ILE 45 HD12 ILE 45 31.302 44.975 14.479
337 HD13 ILE 45 HD13 ILE 45 32.718 45.575 15.344
338 H SER 46 H SER 46 32.391 46.458 18.195
339 HA SER 46 HA SER 46 34.021 47.820 16.305
340 HB2 SER 46 HB2 SER 46 32.286 48.890 18.575
341 HB3 SER 46 HB3 SER 46 32.938 49.835 17.231
342 HG SER 46 HG SER 46 31.011 47.770 17.203
343 H TYR 47 H TYR 47 36.114 48.303 16.488
344 HA TYR 47 HA TYR 47 37.304 48.953 19.143
345 HB2 TYR 47 HB2 TYR 47 38.709 48.259 16.555
346 HB3 TYR 47 HB3 TYR 47 39.429 48.381 18.150
347 HD1 TYR 47 HD1 TYR 47 38.077 46.786 19.993
348 HD2 TYR 47 HD2 TYR 47 38.467 46.080 15.756
349 HE1 TYR 47 HE1 TYR 47 37.704 44.342 20.355
350 HE2 TYR 47 HE2 TYR 47 38.092 43.660 16.123
351 HH TYR 47 HH TYR 47 37.810 42.276 19.413
352 H LEU 48 H LEU 48 36.035 50.759 16.645
353 HA LEU 48 HA LEU 48 37.646 53.134 17.311
354 HB2 LEU 48 HB2 LEU 48 38.674 52.270 15.257
355 HB3 LEU 48 HB3 LEU 48 37.079 52.043 14.523
356 HG LEU 48 HG LEU 48 36.691 54.439 14.537
357 HD11 LEU 48 HD11 LEU 48 38.599 55.995 14.862
358 HD12 LEU 48 HD12 LEU 48 38.234 55.137 16.362
359 HD13 LEU 48 HD13 LEU 48 39.625 54.633 15.367
360 HD21 LEU 48 HD21 LEU 48 37.600 53.310 12.547
361 HD22 LEU 48 HD22 LEU 48 39.260 53.558 13.142
362 HD23 LEU 48 HD23 LEU 48 38.254 54.950 12.679
Start of MODEL 6
1 H1 VAL 1 H1 VAL 1 17.787 19.437 26.341
2 H2 VAL 1 H2 VAL 1 17.158 18.730 27.694
3 H3 VAL 1 H3 VAL 1 17.306 17.859 26.331
4 HA VAL 1 HA VAL 1 18.978 17.185 27.811
5 HB VAL 1 HB VAL 1 21.030 17.606 26.543
6 HG11 VAL 1 HG11 VAL 1 19.398 15.891 25.803
7 HG12 VAL 1 HG12 VAL 1 18.617 17.080 24.736
8 HG13 VAL 1 HG13 VAL 1 20.293 16.591 24.451
9 HG21 VAL 1 HG21 VAL 1 20.994 18.933 24.473
10 HG22 VAL 1 HG22 VAL 1 19.364 19.517 24.826
11 HG23 VAL 1 HG23 VAL 1 20.731 19.970 25.874
12 H HIS 2 H HIS 2 20.595 17.586 29.317
13 HA HIS 2 HA HIS 2 20.264 19.975 30.844
14 HB2 HIS 2 HB2 HIS 2 20.872 17.428 31.410
15 HB3 HIS 2 HB3 HIS 2 22.507 18.068 31.409
16 HD2 HIS 2 HD2 HIS 2 19.390 17.813 33.433
17 HE1 HIS 2 HE1 HIS 2 21.783 20.607 35.588
18 HE2 HIS 2 HE2 HIS 2 19.690 19.168 35.687
19 H LYS 3 H LYS 3 22.346 20.918 31.972
20 HA LYS 3 HA LYS 3 23.846 22.468 29.990
21 HB2 LYS 3 HB2 LYS 3 23.956 22.537 33.033
22 HB3 LYS 3 HB3 LYS 3 24.779 23.642 31.922
23 HG2 LYS 3 HG2 LYS 3 23.048 24.958 32.306
24 HG3 LYS 3 HG3 LYS 3 22.291 24.056 31.010
25 HD2 LYS 3 HD2 LYS 3 21.119 22.659 32.694
26 HD3 LYS 3 HD3 LYS 3 21.962 23.530 34.007
27 HE2 LYS 3 HE2 LYS 3 20.955 25.678 33.198
28 HE3 LYS 3 HE3 LYS 3 20.079 24.779 31.957
29 HZ1 LYS 3 HZ1 LYS 3 19.032 23.510 33.805
30 HZ2 LYS 3 HZ2 LYS 3 19.750 24.533 34.886
31 HZ3 LYS 3 HZ3 LYS 3 18.630 25.112 33.827
32 H MET 4 H MET 4 24.590 20.066 29.371
33 HA MET 4 HA MET 4 27.201 19.448 30.685
34 HB2 MET 4 HB2 MET 4 26.808 17.106 29.975
35 HB3 MET 4 HB3 MET 4 25.685 17.703 31.188
36 HG2 MET 4 HG2 MET 4 23.895 17.894 29.602
37 HG3 MET 4 HG3 MET 4 24.975 17.689 28.236
38 HE1 MET 4 HE1 MET 4 23.212 15.843 31.284
39 HE2 MET 4 HE2 MET 4 23.846 14.201 31.083
40 HE3 MET 4 HE3 MET 4 24.937 15.500 31.589
41 H ALA 5 H ALA 5 27.756 21.279 29.146
42 HA ALA 5 HA ALA 5 28.577 22.145 27.246
43 HB1 ALA 5 HB1 ALA 5 29.505 19.357 26.571
44 HB2 ALA 5 HB2 ALA 5 30.132 20.888 25.927
45 HB3 ALA 5 HB3 ALA 5 30.346 20.498 27.648
46 H LYS 6 H LYS 6 25.805 21.006 27.262
47 HA LYS 6 HA LYS 6 25.286 21.182 24.315
48 HB2 LYS 6 HB2 LYS 6 23.999 19.356 26.365
49 HB3 LYS 6 HB3 LYS 6 23.288 19.700 24.778
50 HG2 LYS 6 HG2 LYS 6 25.348 18.967 23.644
51 HG3 LYS 6 HG3 LYS 6 26.080 18.564 25.198
52 HD2 LYS 6 HD2 LYS 6 24.452 16.808 25.602
53 HD3 LYS 6 HD3 LYS 6 23.536 17.270 24.142
54 HE2 LYS 6 HE2 LYS 6 25.491 16.787 22.728
55 HE3 LYS 6 HE3 LYS 6 26.454 16.377 24.154
56 HZ1 LYS 6 HZ1 LYS 6 24.028 14.909 23.284
57 HZ2 LYS 6 HZ2 LYS 6 25.595 14.427 23.031
58 HZ3 LYS 6 HZ3 LYS 6 24.984 14.510 24.557
59 H ASN 7 H ASN 7 25.140 23.085 26.815
60 HA ASN 7 HA ASN 7 22.897 24.612 25.651
61 HB2 ASN 7 HB2 ASN 7 23.012 23.929 28.597
62 HB3 ASN 7 HB3 ASN 7 22.204 25.373 28.006
63 HD21 ASN 7 HD21 ASN 7 20.413 21.806 27.356
64 HD22 ASN 7 HD22 ASN 7 22.088 21.816 27.853
65 H GLN 8 H GLN 8 26.057 24.557 27.012
66 HA GLN 8 HA GLN 8 26.234 27.507 27.250
67 HB2 GLN 8 HB2 GLN 8 28.335 27.092 28.454
68 HB3 GLN 8 HB3 GLN 8 26.900 26.488 29.248
69 HG2 GLN 8 HG2 GLN 8 28.431 24.568 27.465
70 HG3 GLN 8 HG3 GLN 8 29.149 25.034 29.001
71 HE21 GLN 8 HE21 GLN 8 27.893 24.749 30.966
72 HE22 GLN 8 HE22 GLN 8 26.737 23.413 31.031
73 H PHE 9 H PHE 9 26.043 26.242 24.672
74 HA PHE 9 HA PHE 9 26.934 26.494 22.602
75 HB2 PHE 9 HB2 PHE 9 28.951 28.387 23.819
76 HB3 PHE 9 HB3 PHE 9 28.368 28.359 22.158
77 HD1 PHE 9 HD1 PHE 9 25.962 28.934 21.610
78 HD2 PHE 9 HD2 PHE 9 27.620 29.515 25.541
79 HE1 PHE 9 HE1 PHE 9 23.987 30.304 22.239
80 HE2 PHE 9 HE2 PHE 9 25.651 30.906 26.169
81 HZ PHE 9 HZ PHE 9 23.829 31.285 24.524
82 H GLY 10 H GLY 10 27.923 24.360 24.267
83 HA2 GLY 10 HA2 GLY 10 29.476 22.643 24.171
84 HA3 GLY 10 HA3 GLY 10 30.174 23.403 22.746
85 H CYS 11 H CYS 11 30.334 25.716 25.322
86 HA CYS 11 HA CYS 11 33.192 25.020 25.535
87 HB2 CYS 11 HB2 CYS 11 33.755 27.269 25.636
88 HB3 CYS 11 HB3 CYS 11 32.863 26.956 24.160
89 H PHE 12 H PHE 12 34.138 24.773 27.387
90 HA PHE 12 HA PHE 12 32.911 25.672 29.870
91 HB2 PHE 12 HB2 PHE 12 32.223 23.570 30.730
92 HB3 PHE 12 HB3 PHE 12 31.502 23.683 29.145
93 HD1 PHE 12 HD1 PHE 12 33.378 21.649 31.351
94 HD2 PHE 12 HD2 PHE 12 32.956 22.555 27.147
95 HE1 PHE 12 HE1 PHE 12 34.528 19.567 30.790
96 HE2 PHE 12 HE2 PHE 12 34.156 20.463 26.588
97 HZ PHE 12 HZ PHE 12 34.956 18.964 28.392
98 H ALA 13 H ALA 13 34.096 24.528 31.810
99 HA ALA 13 HA ALA 13 35.957 24.406 33.029
100 HB1 ALA 13 HB1 ALA 13 36.170 22.199 31.920
101 HB2 ALA 13 HB2 ALA 13 37.251 22.947 30.716
102 HB3 ALA 13 HB3 ALA 13 37.722 22.897 32.425
103 H ASN 14 H ASN 14 35.490 26.722 31.433
104 HA ASN 14 HA ASN 14 36.325 28.620 30.673
105 HB2 ASN 14 HB2 ASN 14 37.268 28.319 33.133
106 HB3 ASN 14 HB3 ASN 14 38.824 28.412 32.328
107 HD21 ASN 14 HD21 ASN 14 37.089 31.676 33.355
108 HD22 ASN 14 HD22 ASN 14 37.046 30.114 34.166
109 H VAL 15 H VAL 15 36.507 26.916 28.771
110 HA VAL 15 HA VAL 15 39.112 27.381 27.402
111 HB VAL 15 HB VAL 15 37.372 24.910 27.070
112 HG11 VAL 15 HG11 VAL 15 40.211 25.535 26.155
113 HG12 VAL 15 HG12 VAL 15 39.404 23.964 26.000
114 HG13 VAL 15 HG13 VAL 15 38.773 25.324 25.116
115 HG21 VAL 15 HG21 VAL 15 39.189 23.664 28.263
116 HG22 VAL 15 HG22 VAL 15 39.961 25.216 28.662
117 HG23 VAL 15 HG23 VAL 15 38.368 24.796 29.321
118 H ASP 16 H ASP 16 38.817 27.304 24.985
119 HA ASP 16 HA ASP 16 36.275 28.573 24.129
120 HB2 ASP 16 HB2 ASP 16 38.081 30.297 24.307
121 HB3 ASP 16 HB3 ASP 16 39.177 29.246 23.410
122 H VAL 17 H VAL 17 35.936 26.486 24.216
123 HA VAL 17 HA VAL 17 37.086 24.474 22.624
124 HB VAL 17 HB VAL 17 34.302 24.547 23.785
125 HG11 VAL 17 HG11 VAL 17 34.881 22.491 22.574
126 HG12 VAL 17 HG12 VAL 17 36.365 22.319 23.531
127 HG13 VAL 17 HG13 VAL 17 34.766 22.151 24.281
128 HG21 VAL 17 HG21 VAL 17 35.164 23.653 25.919
129 HG22 VAL 17 HG22 VAL 17 36.809 23.897 25.321
130 HG23 VAL 17 HG23 VAL 17 35.729 25.300 25.651
131 H LYS 18 H LYS 18 35.880 23.172 20.979
132 HA LYS 18 HA LYS 18 35.640 24.723 18.654
133 HB2 LYS 18 HB2 LYS 18 34.765 21.829 18.985
134 HB3 LYS 18 HB3 LYS 18 35.242 22.621 17.489
135 HG2 LYS 18 HG2 LYS 18 37.020 21.877 19.832
136 HG3 LYS 18 HG3 LYS 18 37.045 21.212 18.204
137 HD2 LYS 18 HD2 LYS 18 37.805 24.052 18.987
138 HD3 LYS 18 HD3 LYS 18 38.929 22.753 18.607
139 HE2 LYS 18 HE2 LYS 18 38.243 22.678 16.304
140 HE3 LYS 18 HE3 LYS 18 36.856 23.735 16.607
141 HZ1 LYS 18 HZ1 LYS 18 38.816 24.841 15.601
142 HZ2 LYS 18 HZ2 LYS 18 38.265 25.569 16.948
143 HZ3 LYS 18 HZ3 LYS 18 39.646 24.642 17.004
144 H GLY 19 H GLY 19 32.981 24.098 20.721
145 HA2 GLY 19 HA2 GLY 19 30.897 24.616 18.759
146 HA3 GLY 19 HA3 GLY 19 30.765 24.707 20.521
147 H ASP 20 H ASP 20 33.221 26.655 20.256
148 HA ASP 20 HA ASP 20 33.562 28.857 20.517
149 HB2 ASP 20 HB2 ASP 20 32.459 28.840 17.712
150 HB3 ASP 20 HB3 ASP 20 33.415 30.132 18.427
151 H CYS 21 H CYS 21 32.371 29.820 22.119
152 HA CYS 21 HA CYS 21 29.652 30.720 21.724
153 HB2 CYS 21 HB2 CYS 21 30.823 30.303 23.978
154 HB3 CYS 21 HB3 CYS 21 31.699 31.794 23.690
155 H LYS 22 H LYS 22 32.808 32.103 21.081
156 HA LYS 22 HA LYS 22 32.431 34.774 20.557
157 HB2 LYS 22 HB2 LYS 22 34.491 33.383 20.060
158 HB3 LYS 22 HB3 LYS 22 33.669 32.712 18.657
159 HG2 LYS 22 HG2 LYS 22 35.021 34.361 17.716
160 HG3 LYS 22 HG3 LYS 22 33.459 35.146 17.794
161 HD2 LYS 22 HD2 LYS 22 34.976 36.764 18.533
162 HD3 LYS 22 HD3 LYS 22 34.247 36.162 20.027
163 HE2 LYS 22 HE2 LYS 22 36.195 34.764 20.487
164 HE3 LYS 22 HE3 LYS 22 36.880 35.093 18.892
165 HZ1 LYS 22 HZ1 LYS 22 37.268 37.379 19.556
166 HZ2 LYS 22 HZ2 LYS 22 36.464 37.182 20.963
167 HZ3 LYS 22 HZ3 LYS 22 37.861 36.412 20.765
168 H ARG 23 H ARG 23 31.293 32.126 18.409
169 HA ARG 23 HA ARG 23 30.198 33.777 16.359
170 HB2 ARG 23 HB2 ARG 23 29.359 30.977 17.202
171 HB3 ARG 23 HB3 ARG 23 28.990 31.741 15.653
172 HG2 ARG 23 HG2 ARG 23 31.413 31.821 15.130
173 HG3 ARG 23 HG3 ARG 23 31.790 31.032 16.665
174 HD2 ARG 23 HD2 ARG 23 30.191 29.899 14.349
175 HD3 ARG 23 HD3 ARG 23 31.827 29.439 14.835
176 HE ARG 23 HE ARG 23 30.535 28.843 17.107
177 HH11 ARG 23 HH11 ARG 23 29.594 27.955 13.814
178 HH12 ARG 23 HH12 ARG 23 28.456 26.764 14.438
179 HH21 ARG 23 HH21 ARG 23 29.251 27.131 17.692
180 HH22 ARG 23 HH22 ARG 23 28.283 26.338 16.437
181 H HIS 24 H HIS 24 28.577 32.350 19.197
182 HA HIS 24 HA HIS 24 25.947 33.355 18.685
183 HB2 HIS 24 HB2 HIS 24 26.108 31.659 20.285
184 HB3 HIS 24 HB3 HIS 24 27.475 32.390 21.107
185 HD2 HIS 24 HD2 HIS 24 26.948 33.369 23.378
186 HE1 HIS 24 HE1 HIS 24 22.795 34.204 22.911
187 HE2 HIS 24 HE2 HIS 24 24.723 34.103 24.572
188 H CYS 25 H CYS 25 28.632 34.808 20.612
189 HA CYS 25 HA CYS 25 27.092 37.220 21.115
190 HB2 CYS 25 HB2 CYS 25 29.980 36.454 21.487
191 HB3 CYS 25 HB3 CYS 25 29.397 38.076 21.824
192 H LYS 26 H LYS 26 29.308 36.323 18.424
193 HA LYS 26 HA LYS 26 29.561 38.922 17.349
194 HB2 LYS 26 HB2 LYS 26 30.611 36.547 16.722
195 HB3 LYS 26 HB3 LYS 26 29.324 36.516 15.534
196 HG2 LYS 26 HG2 LYS 26 31.642 38.482 15.815
197 HG3 LYS 26 HG3 LYS 26 31.414 37.247 14.592
198 HD2 LYS 26 HD2 LYS 26 30.821 39.039 13.344
199 HD3 LYS 26 HD3 LYS 26 29.229 38.656 14.004
200 HE2 LYS 26 HE2 LYS 26 29.718 40.340 15.862
201 HE3 LYS 26 HE3 LYS 26 31.225 40.745 15.028
202 HZ1 LYS 26 HZ1 LYS 26 29.922 41.503 13.142
203 HZ2 LYS 26 HZ2 LYS 26 28.502 41.073 13.872
204 HZ3 LYS 26 HZ3 LYS 26 29.390 42.280 14.485
205 H ALA 27 H ALA 27 26.736 36.776 17.327
206 HA ALA 27 HA ALA 27 25.321 38.167 15.193
207 HB1 ALA 27 HB1 ALA 27 24.271 36.455 17.472
208 HB2 ALA 27 HB2 ALA 27 23.417 36.885 15.978
209 HB3 ALA 27 HB3 ALA 27 24.845 35.831 15.909
210 H GLU 28 H GLU 28 25.628 38.548 18.696
211 HA GLU 28 HA GLU 28 23.840 40.855 18.930
212 HB2 GLU 28 HB2 GLU 28 25.857 39.523 20.778
213 HB3 GLU 28 HB3 GLU 28 24.899 40.903 21.246
214 HG2 GLU 28 HG2 GLU 28 23.666 38.345 20.258
215 HG3 GLU 28 HG3 GLU 28 24.077 38.593 21.931
216 H ASP 29 H ASP 29 26.707 40.581 17.370
217 HA ASP 29 HA ASP 29 28.371 41.908 16.741
218 HB2 ASP 29 HB2 ASP 29 26.323 43.473 16.476
219 HB3 ASP 29 HB3 ASP 29 26.991 44.355 17.844
220 H LYS 30 H LYS 30 28.498 40.621 19.290
221 HA LYS 30 HA LYS 30 30.387 42.343 20.843
222 HB2 LYS 30 HB2 LYS 30 28.610 40.074 21.833
223 HB3 LYS 30 HB3 LYS 30 29.690 41.051 22.818
224 HG2 LYS 30 HG2 LYS 30 27.213 42.020 21.397
225 HG3 LYS 30 HG3 LYS 30 27.345 41.648 23.115
226 HD2 LYS 30 HD2 LYS 30 28.957 43.421 23.471
227 HD3 LYS 30 HD3 LYS 30 29.023 43.787 21.741
228 HE2 LYS 30 HE2 LYS 30 26.470 43.943 23.356
229 HE3 LYS 30 HE3 LYS 30 27.526 45.340 23.085
230 HZ1 LYS 30 HZ1 LYS 30 26.314 43.739 20.887
231 HZ2 LYS 30 HZ2 LYS 30 25.678 45.128 21.492
232 HZ3 LYS 30 HZ3 LYS 30 27.145 45.140 20.730
233 H GLU 31 H GLU 31 31.966 41.214 22.111
234 HA GLU 31 HA GLU 31 33.261 38.790 20.981
235 HB2 GLU 31 HB2 GLU 31 33.693 40.407 23.529
236 HB3 GLU 31 HB3 GLU 31 34.683 39.044 23.081
237 HG2 GLU 31 HG2 GLU 31 34.425 41.480 21.260
238 HG3 GLU 31 HG3 GLU 31 35.564 41.424 22.598
239 H GLY 32 H GLY 32 33.494 36.747 22.392
240 HA2 GLY 32 HA2 GLY 32 31.230 36.354 24.315
241 HA3 GLY 32 HA3 GLY 32 31.461 35.228 23.002
242 H ILE 33 H ILE 33 32.113 35.807 26.233
243 HA ILE 33 HA ILE 33 34.520 34.083 26.256
244 HB ILE 33 HB ILE 33 34.951 34.986 28.560
245 HG12 ILE 33 HG12 ILE 33 34.409 37.485 28.701
246 HG13 ILE 33 HG13 ILE 33 33.074 37.166 27.599
247 HG21 ILE 33 HG21 ILE 33 35.276 36.757 26.092
248 HG22 ILE 33 HG22 ILE 33 36.283 36.801 27.554
249 HG23 ILE 33 HG23 ILE 33 36.306 35.372 26.524
250 HD11 ILE 33 HD11 ILE 33 32.557 37.238 30.109
251 HD12 ILE 33 HD12 ILE 33 31.969 35.804 29.284
252 HD13 ILE 33 HD13 ILE 33 33.448 35.713 30.262
253 H CYS 34 H CYS 34 34.360 32.124 26.784
254 HA CYS 34 HA CYS 34 32.163 31.024 28.281
255 HB2 CYS 34 HB2 CYS 34 34.746 29.781 27.329
256 HB3 CYS 34 HB3 CYS 34 33.297 28.919 27.831
257 H HIS 35 H HIS 35 32.642 32.451 30.244
258 HA HIS 35 HA HIS 35 34.898 31.713 31.900
259 HB2 HIS 35 HB2 HIS 35 34.104 33.178 33.550
260 HB3 HIS 35 HB3 HIS 35 33.960 33.953 31.982
261 HD2 HIS 35 HD2 HIS 35 31.268 33.831 30.939
262 HE1 HIS 35 HE1 HIS 35 29.585 34.043 34.850
263 HE2 HIS 35 HE2 HIS 35 29.059 34.244 32.415
264 H GLY 36 H GLY 36 35.159 29.812 32.729
265 HA2 GLY 36 HA2 GLY 36 34.854 27.954 34.078
266 HA3 GLY 36 HA3 GLY 36 33.366 28.655 34.689
267 H THR 37 H THR 37 31.572 27.485 34.216
268 HA THR 37 HA THR 37 31.496 25.712 31.817
269 HB THR 37 HB THR 37 29.627 24.566 33.073
270 HG1 THR 37 HG1 THR 37 29.627 24.932 35.300
271 HG21 THR 37 HG21 THR 37 31.117 23.344 34.595
272 HG22 THR 37 HG22 THR 37 31.883 23.591 33.034
273 HG23 THR 37 HG23 THR 37 32.370 24.590 34.424
274 H LYS 38 H LYS 38 30.708 28.730 32.282
275 HA LYS 38 HA LYS 38 28.093 28.645 30.811
276 HB2 LYS 38 HB2 LYS 38 29.109 30.856 32.654
277 HB3 LYS 38 HB3 LYS 38 27.528 30.753 31.899
278 HG2 LYS 38 HG2 LYS 38 28.575 29.028 34.171
279 HG3 LYS 38 HG3 LYS 38 27.394 30.333 34.261
280 HD2 LYS 38 HD2 LYS 38 25.924 28.941 32.682
281 HD3 LYS 38 HD3 LYS 38 27.050 27.594 32.977
282 HE2 LYS 38 HE2 LYS 38 26.663 27.985 35.478
283 HE3 LYS 38 HE3 LYS 38 25.404 29.142 35.028
284 HZ1 LYS 38 HZ1 LYS 38 24.368 27.268 33.757
285 HZ2 LYS 38 HZ2 LYS 38 25.435 26.231 34.455
286 HZ3 LYS 38 HZ3 LYS 38 24.364 27.067 35.399
287 H CYS 39 H CYS 39 27.793 30.640 29.464
288 HA CYS 39 HA CYS 39 30.312 32.075 28.817
289 HB2 CYS 39 HB2 CYS 39 29.866 30.462 26.978
290 HB3 CYS 39 HB3 CYS 39 28.283 31.234 26.751
291 H LYS 40 H LYS 40 30.176 34.205 28.360
292 HA LYS 40 HA LYS 40 27.624 35.733 28.434
293 HB2 LYS 40 HB2 LYS 40 28.041 35.854 30.642
294 HB3 LYS 40 HB3 LYS 40 29.762 35.519 30.486
295 HG2 LYS 40 HG2 LYS 40 30.255 37.747 29.854
296 HG3 LYS 40 HG3 LYS 40 28.525 38.201 29.875
297 HD2 LYS 40 HD2 LYS 40 28.400 37.693 32.283
298 HD3 LYS 40 HD3 LYS 40 30.092 37.115 32.276
299 HE2 LYS 40 HE2 LYS 40 30.844 39.283 31.464
300 HE3 LYS 40 HE3 LYS 40 29.176 39.885 31.453
301 HZ1 LYS 40 HZ1 LYS 40 29.145 39.456 33.904
302 HZ2 LYS 40 HZ2 LYS 40 30.738 39.067 33.855
303 HZ3 LYS 40 HZ3 LYS 40 30.281 40.591 33.490
304 H CYS 41 H CYS 41 27.864 37.817 27.381
305 HA CYS 41 HA CYS 41 30.071 37.779 25.447
306 HB2 CYS 41 HB2 CYS 41 27.904 39.854 25.688
307 HB3 CYS 41 HB3 CYS 41 29.119 39.731 24.439
308 H GLY 42 H GLY 42 31.440 39.556 24.987
309 HA2 GLY 42 HA2 GLY 42 32.734 40.622 27.446
310 HA3 GLY 42 HA3 GLY 42 33.458 40.492 25.856
311 H VAL 43 H VAL 43 33.232 42.145 24.406
312 HA VAL 43 HA VAL 43 31.707 44.560 25.138
313 HB VAL 43 HB VAL 43 33.656 45.922 24.442
314 HG11 VAL 43 HG11 VAL 43 33.382 45.316 26.836
315 HG12 VAL 43 HG12 VAL 43 34.476 43.939 26.588
316 HG13 VAL 43 HG13 VAL 43 35.070 45.589 26.366
317 HG21 VAL 43 HG21 VAL 43 35.223 43.323 24.254
318 HG22 VAL 43 HG22 VAL 43 34.747 44.348 22.877
319 HG23 VAL 43 HG23 VAL 43 35.864 44.968 24.096
320 HA PRO 44 HA PRO 44 30.521 44.906 20.796
321 HB2 PRO 44 HB2 PRO 44 31.866 47.621 20.980
322 HB3 PRO 44 HB3 PRO 44 30.303 47.208 20.223
323 HG2 PRO 44 HG2 PRO 44 30.339 48.328 22.669
324 HG3 PRO 44 HG3 PRO 44 29.248 46.937 22.348
325 HD2 PRO 44 HD2 PRO 44 31.929 46.933 23.757
326 HD3 PRO 44 HD3 PRO 44 30.422 46.067 24.171
327 H ILE 45 H ILE 45 31.464 44.170 18.980
328 HA ILE 45 HA ILE 45 34.338 43.827 18.753
329 HB ILE 45 HB ILE 45 33.890 42.876 16.573
330 HG12 ILE 45 HG12 ILE 45 31.158 42.775 16.178
331 HG13 ILE 45 HG13 ILE 45 31.304 44.392 16.782
332 HG21 ILE 45 HG21 ILE 45 32.503 41.020 17.247
333 HG22 ILE 45 HG22 ILE 45 33.490 41.537 18.615
334 HG23 ILE 45 HG23 ILE 45 31.770 41.970 18.548
335 HD11 ILE 45 HD11 ILE 45 32.961 44.930 15.012
336 HD12 ILE 45 HD12 ILE 45 32.883 43.249 14.437
337 HD13 ILE 45 HD13 ILE 45 31.456 44.298 14.320
338 H SER 46 H SER 46 32.257 46.429 17.919
339 HA SER 46 HA SER 46 34.089 47.789 16.112
340 HB2 SER 46 HB2 SER 46 31.787 48.905 17.739
341 HB3 SER 46 HB3 SER 46 32.601 49.640 16.345
342 HG SER 46 HG SER 46 30.879 47.450 16.508
343 H TYR 47 H TYR 47 35.983 47.345 17.436
344 HA TYR 47 HA TYR 47 36.399 48.512 19.998
345 HB2 TYR 47 HB2 TYR 47 38.639 48.068 18.044
346 HB3 TYR 47 HB3 TYR 47 38.642 47.867 19.784
347 HD1 TYR 47 HD1 TYR 47 36.861 45.905 20.623
348 HD2 TYR 47 HD2 TYR 47 38.760 46.174 16.761
349 HE1 TYR 47 HE1 TYR 47 36.480 43.465 20.261
350 HE2 TYR 47 HE2 TYR 47 38.384 43.750 16.405
351 HH TYR 47 HH TYR 47 36.769 41.635 18.809
352 H LEU 48 H LEU 48 36.395 50.029 16.890
353 HA LEU 48 HA LEU 48 37.869 52.438 17.855
354 HB2 LEU 48 HB2 LEU 48 37.523 51.365 15.029
355 HB3 LEU 48 HB3 LEU 48 38.430 52.796 15.475
356 HG LEU 48 HG LEU 48 39.149 49.926 16.243
357 HD11 LEU 48 HD11 LEU 48 39.456 50.466 13.852
358 HD12 LEU 48 HD12 LEU 48 40.416 51.896 14.291
359 HD13 LEU 48 HD13 LEU 48 41.009 50.262 14.681
360 HD21 LEU 48 HD21 LEU 48 40.606 52.558 16.724
361 HD22 LEU 48 HD22 LEU 48 39.934 51.474 17.969
362 HD23 LEU 48 HD23 LEU 48 41.295 50.937 16.986
Start of MODEL 7
1 H1 VAL 1 H1 VAL 1 20.647 12.327 33.592
2 H2 VAL 1 H2 VAL 1 21.775 12.141 32.417
3 H3 VAL 1 H3 VAL 1 20.322 11.445 32.231
4 HA VAL 1 HA VAL 1 20.514 13.396 30.860
5 HB VAL 1 HB VAL 1 18.399 12.639 31.466
6 HG11 VAL 1 HG11 VAL 1 18.340 14.300 34.001
7 HG12 VAL 1 HG12 VAL 1 17.045 13.306 33.326
8 HG13 VAL 1 HG13 VAL 1 18.498 12.530 33.932
9 HG21 VAL 1 HG21 VAL 1 18.521 14.776 30.263
10 HG22 VAL 1 HG22 VAL 1 17.041 14.588 31.203
11 HG23 VAL 1 HG23 VAL 1 18.329 15.649 31.799
12 H HIS 2 H HIS 2 22.608 14.322 31.273
13 HA HIS 2 HA HIS 2 22.379 16.883 32.738
14 HB2 HIS 2 HB2 HIS 2 24.341 16.595 34.080
15 HB3 HIS 2 HB3 HIS 2 23.159 15.362 34.454
16 HD2 HIS 2 HD2 HIS 2 23.890 12.835 34.214
17 HE1 HIS 2 HE1 HIS 2 27.933 13.511 33.062
18 HE2 HIS 2 HE2 HIS 2 26.259 11.745 33.797
19 H LYS 3 H LYS 3 24.019 18.398 32.455
20 HA LYS 3 HA LYS 3 24.446 19.066 29.849
21 HB2 LYS 3 HB2 LYS 3 25.535 20.970 30.506
22 HB3 LYS 3 HB3 LYS 3 24.403 20.588 31.791
23 HG2 LYS 3 HG2 LYS 3 27.403 20.072 31.800
24 HG3 LYS 3 HG3 LYS 3 26.575 21.394 32.605
25 HD2 LYS 3 HD2 LYS 3 25.397 19.787 34.093
26 HD3 LYS 3 HD3 LYS 3 26.277 18.438 33.307
27 HE2 LYS 3 HE2 LYS 3 28.396 19.464 33.806
28 HE3 LYS 3 HE3 LYS 3 27.596 20.864 34.542
29 HZ1 LYS 3 HZ1 LYS 3 27.508 18.078 35.592
30 HZ2 LYS 3 HZ2 LYS 3 28.340 19.332 36.271
31 HZ3 LYS 3 HZ3 LYS 3 26.718 19.336 36.281
32 H MET 4 H MET 4 26.139 19.358 28.361
33 HA MET 4 HA MET 4 28.659 17.896 28.788
34 HB2 MET 4 HB2 MET 4 28.293 16.290 26.967
35 HB3 MET 4 HB3 MET 4 27.193 16.045 28.314
36 HG2 MET 4 HG2 MET 4 25.414 17.305 27.017
37 HG3 MET 4 HG3 MET 4 26.497 17.279 25.624
38 HE1 MET 4 HE1 MET 4 26.755 13.380 24.933
39 HE2 MET 4 HE2 MET 4 27.325 14.983 24.447
40 HE3 MET 4 HE3 MET 4 27.830 14.284 25.994
41 H ALA 5 H ALA 5 28.776 20.378 28.487
42 HA ALA 5 HA ALA 5 29.396 22.201 27.397
43 HB1 ALA 5 HB1 ALA 5 30.922 22.075 25.577
44 HB2 ALA 5 HB2 ALA 5 31.252 20.757 26.705
45 HB3 ALA 5 HB3 ALA 5 30.406 20.427 25.175
46 H LYS 6 H LYS 6 26.832 20.479 26.077
47 HA LYS 6 HA LYS 6 26.457 22.113 23.619
48 HB2 LYS 6 HB2 LYS 6 25.058 19.637 24.710
49 HB3 LYS 6 HB3 LYS 6 24.436 20.558 23.334
50 HG2 LYS 6 HG2 LYS 6 26.570 20.246 22.127
51 HG3 LYS 6 HG3 LYS 6 27.156 19.207 23.445
52 HD2 LYS 6 HD2 LYS 6 25.260 17.677 23.092
53 HD3 LYS 6 HD3 LYS 6 24.618 18.707 21.802
54 HE2 LYS 6 HE2 LYS 6 27.345 17.357 21.770
55 HE3 LYS 6 HE3 LYS 6 25.899 16.685 21.036
56 HZ1 LYS 6 HZ1 LYS 6 25.819 18.783 19.653
57 HZ2 LYS 6 HZ2 LYS 6 27.336 19.133 20.193
58 HZ3 LYS 6 HZ3 LYS 6 27.065 17.768 19.346
59 H ASN 7 H ASN 7 26.143 22.896 26.523
60 HA ASN 7 HA ASN 7 23.451 24.106 26.457
61 HB2 ASN 7 HB2 ASN 7 24.804 23.059 28.978
62 HB3 ASN 7 HB3 ASN 7 23.102 23.412 28.726
63 HD21 ASN 7 HD21 ASN 7 22.399 20.196 27.314
64 HD22 ASN 7 HD22 ASN 7 21.866 21.863 27.319
65 H GLN 8 H GLN 8 26.719 24.540 26.511
66 HA GLN 8 HA GLN 8 26.580 27.401 27.245
67 HB2 GLN 8 HB2 GLN 8 28.766 27.122 28.402
68 HB3 GLN 8 HB3 GLN 8 27.402 26.385 29.219
69 HG2 GLN 8 HG2 GLN 8 29.104 24.655 27.397
70 HG3 GLN 8 HG3 GLN 8 29.731 25.125 28.968
71 HE21 GLN 8 HE21 GLN 8 28.424 24.645 30.862
72 HE22 GLN 8 HE22 GLN 8 27.221 23.393 30.853
73 H PHE 9 H PHE 9 26.390 26.354 24.674
74 HA PHE 9 HA PHE 9 27.190 26.787 22.592
75 HB2 PHE 9 HB2 PHE 9 29.104 28.743 23.878
76 HB3 PHE 9 HB3 PHE 9 28.476 28.767 22.236
77 HD1 PHE 9 HD1 PHE 9 26.082 29.287 21.769
78 HD2 PHE 9 HD2 PHE 9 27.744 29.575 25.728
79 HE1 PHE 9 HE1 PHE 9 24.083 30.542 22.518
80 HE2 PHE 9 HE2 PHE 9 25.735 30.841 26.483
81 HZ PHE 9 HZ PHE 9 23.890 31.288 24.884
82 H GLY 10 H GLY 10 28.395 24.565 23.951
83 HA2 GLY 10 HA2 GLY 10 30.049 23.010 23.670
84 HA3 GLY 10 HA3 GLY 10 30.558 23.866 22.219
85 H CYS 11 H CYS 11 30.592 25.747 25.208
86 HA CYS 11 HA CYS 11 33.586 25.713 25.227
87 HB2 CYS 11 HB2 CYS 11 32.296 27.465 23.878
88 HB3 CYS 11 HB3 CYS 11 31.775 28.092 25.432
89 H PHE 12 H PHE 12 34.475 25.432 27.091
90 HA PHE 12 HA PHE 12 33.221 26.265 29.608
91 HB2 PHE 12 HB2 PHE 12 32.714 24.115 30.476
92 HB3 PHE 12 HB3 PHE 12 31.925 24.217 28.926
93 HD1 PHE 12 HD1 PHE 12 34.071 22.278 30.998
94 HD2 PHE 12 HD2 PHE 12 33.228 23.149 26.855
95 HE1 PHE 12 HE1 PHE 12 35.124 20.159 30.340
96 HE2 PHE 12 HE2 PHE 12 34.246 20.984 26.199
97 HZ PHE 12 HZ PHE 12 35.177 19.472 27.930
98 H ALA 13 H ALA 13 34.440 25.385 31.532
99 HA ALA 13 HA ALA 13 36.263 25.197 32.786
100 HB1 ALA 13 HB1 ALA 13 36.328 22.950 31.838
101 HB2 ALA 13 HB2 ALA 13 37.390 23.534 30.539
102 HB3 ALA 13 HB3 ALA 13 37.950 23.550 32.215
103 H ASN 14 H ASN 14 36.018 27.548 31.396
104 HA ASN 14 HA ASN 14 37.070 29.387 30.520
105 HB2 ASN 14 HB2 ASN 14 39.330 28.463 32.355
106 HB3 ASN 14 HB3 ASN 14 39.224 30.047 31.581
107 HD21 ASN 14 HD21 ASN 14 37.240 31.530 33.813
108 HD22 ASN 14 HD22 ASN 14 37.781 31.571 32.144
109 H VAL 15 H VAL 15 37.114 27.267 28.632
110 HA VAL 15 HA VAL 15 39.780 27.690 27.296
111 HB VAL 15 HB VAL 15 37.790 25.442 26.835
112 HG11 VAL 15 HG11 VAL 15 39.204 25.848 24.834
113 HG12 VAL 15 HG12 VAL 15 40.657 25.789 25.869
114 HG13 VAL 15 HG13 VAL 15 39.656 24.352 25.627
115 HG21 VAL 15 HG21 VAL 15 39.549 23.992 27.877
116 HG22 VAL 15 HG22 VAL 15 40.424 25.455 28.367
117 HG23 VAL 15 HG23 VAL 15 38.812 25.106 29.025
118 H ASP 16 H ASP 16 39.505 27.819 24.850
119 HA ASP 16 HA ASP 16 37.040 29.230 24.037
120 HB2 ASP 16 HB2 ASP 16 38.989 30.877 24.325
121 HB3 ASP 16 HB3 ASP 16 39.868 29.956 23.093
122 H VAL 17 H VAL 17 36.464 27.314 23.933
123 HA VAL 17 HA VAL 17 37.663 25.160 22.548
124 HB VAL 17 HB VAL 17 34.810 25.515 23.459
125 HG11 VAL 17 HG11 VAL 17 36.620 23.067 23.112
126 HG12 VAL 17 HG12 VAL 17 35.086 23.010 23.981
127 HG13 VAL 17 HG13 VAL 17 35.076 23.418 22.297
128 HG21 VAL 17 HG21 VAL 17 35.430 24.488 25.628
129 HG22 VAL 17 HG22 VAL 17 37.124 24.488 25.125
130 HG23 VAL 17 HG23 VAL 17 36.238 26.035 25.420
131 H LYS 18 H LYS 18 36.579 23.902 20.828
132 HA LYS 18 HA LYS 18 36.335 25.524 18.465
133 HB2 LYS 18 HB2 LYS 18 35.628 22.585 18.777
134 HB3 LYS 18 HB3 LYS 18 36.021 23.417 17.286
135 HG2 LYS 18 HG2 LYS 18 37.911 22.880 19.605
136 HG3 LYS 18 HG3 LYS 18 37.907 22.078 18.026
137 HD2 LYS 18 HD2 LYS 18 38.532 24.198 16.924
138 HD3 LYS 18 HD3 LYS 18 38.536 25.030 18.490
139 HE2 LYS 18 HE2 LYS 18 40.286 23.576 19.338
140 HE3 LYS 18 HE3 LYS 18 40.257 22.602 17.855
141 HZ1 LYS 18 HZ1 LYS 18 41.067 24.476 16.616
142 HZ2 LYS 18 HZ2 LYS 18 40.949 25.486 17.912
143 HZ3 LYS 18 HZ3 LYS 18 42.061 24.256 17.884
144 H GLY 19 H GLY 19 33.821 24.579 20.627
145 HA2 GLY 19 HA2 GLY 19 31.563 24.840 18.844
146 HA3 GLY 19 HA3 GLY 19 31.553 25.035 20.613
147 H ASP 20 H ASP 20 33.691 27.135 20.382
148 HA ASP 20 HA ASP 20 33.784 29.334 20.654
149 HB2 ASP 20 HB2 ASP 20 33.145 28.860 17.779
150 HB3 ASP 20 HB3 ASP 20 33.057 30.517 18.356
151 H CYS 21 H CYS 21 32.546 30.165 22.219
152 HA CYS 21 HA CYS 21 29.746 30.802 21.898
153 HB2 CYS 21 HB2 CYS 21 31.018 30.574 24.117
154 HB3 CYS 21 HB3 CYS 21 31.742 32.138 23.764
155 H LYS 22 H LYS 22 32.663 32.332 20.885
156 HA LYS 22 HA LYS 22 32.109 34.945 20.196
157 HB2 LYS 22 HB2 LYS 22 34.132 33.563 19.564
158 HB3 LYS 22 HB3 LYS 22 33.151 32.692 18.409
159 HG2 LYS 22 HG2 LYS 22 34.351 34.140 17.075
160 HG3 LYS 22 HG3 LYS 22 32.767 34.888 17.167
161 HD2 LYS 22 HD2 LYS 22 34.446 36.593 17.353
162 HD3 LYS 22 HD3 LYS 22 33.672 36.452 18.939
163 HE2 LYS 22 HE2 LYS 22 35.534 35.118 19.786
164 HE3 LYS 22 HE3 LYS 22 36.264 35.005 18.185
165 HZ1 LYS 22 HZ1 LYS 22 36.813 37.277 18.233
166 HZ2 LYS 22 HZ2 LYS 22 35.823 37.630 19.484
167 HZ3 LYS 22 HZ3 LYS 22 37.184 36.752 19.754
168 H ARG 23 H ARG 23 30.661 32.056 18.620
169 HA ARG 23 HA ARG 23 29.529 33.522 16.411
170 HB2 ARG 23 HB2 ARG 23 28.886 30.695 17.377
171 HB3 ARG 23 HB3 ARG 23 28.513 31.394 15.797
172 HG2 ARG 23 HG2 ARG 23 30.945 31.762 15.441
173 HG3 ARG 23 HG3 ARG 23 31.308 30.946 16.965
174 HD2 ARG 23 HD2 ARG 23 29.847 29.714 14.628
175 HD3 ARG 23 HD3 ARG 23 31.585 29.562 14.940
176 HE ARG 23 HE ARG 23 30.446 28.569 17.249
177 HH11 ARG 23 HH11 ARG 23 30.188 27.772 13.802
178 HH12 ARG 23 HH12 ARG 23 29.674 26.125 14.197
179 HH21 ARG 23 HH21 ARG 23 29.919 26.465 17.553
180 HH22 ARG 23 HH22 ARG 23 29.567 25.422 16.161
181 H HIS 24 H HIS 24 27.975 32.205 19.354
182 HA HIS 24 HA HIS 24 25.368 33.301 18.877
183 HB2 HIS 24 HB2 HIS 24 25.507 31.676 20.561
184 HB3 HIS 24 HB3 HIS 24 26.935 32.395 21.295
185 HD2 HIS 24 HD2 HIS 24 26.633 33.852 23.346
186 HE1 HIS 24 HE1 HIS 24 22.459 34.681 23.112
187 HE2 HIS 24 HE2 HIS 24 24.572 35.018 24.507
188 H CYS 25 H CYS 25 28.232 34.732 20.545
189 HA CYS 25 HA CYS 25 26.805 37.200 21.051
190 HB2 CYS 25 HB2 CYS 25 29.711 36.409 21.257
191 HB3 CYS 25 HB3 CYS 25 29.100 37.997 21.715
192 H LYS 26 H LYS 26 28.785 36.193 18.264
193 HA LYS 26 HA LYS 26 29.097 38.750 17.057
194 HB2 LYS 26 HB2 LYS 26 30.248 36.660 16.362
195 HB3 LYS 26 HB3 LYS 26 28.729 36.004 15.786
196 HG2 LYS 26 HG2 LYS 26 30.035 36.677 13.929
197 HG3 LYS 26 HG3 LYS 26 28.659 37.759 14.001
198 HD2 LYS 26 HD2 LYS 26 31.188 38.644 15.386
199 HD3 LYS 26 HD3 LYS 26 31.258 38.538 13.634
200 HE2 LYS 26 HE2 LYS 26 29.052 40.085 15.044
201 HE3 LYS 26 HE3 LYS 26 30.622 40.805 14.682
202 HZ1 LYS 26 HZ1 LYS 26 28.892 39.619 12.573
203 HZ2 LYS 26 HZ2 LYS 26 28.984 41.238 12.942
204 HZ3 LYS 26 HZ3 LYS 26 30.290 40.444 12.374
205 H ALA 27 H ALA 27 26.236 36.745 17.295
206 HA ALA 27 HA ALA 27 24.615 38.251 15.415
207 HB1 ALA 27 HB1 ALA 27 24.243 35.874 16.127
208 HB2 ALA 27 HB2 ALA 27 23.823 36.484 17.744
209 HB3 ALA 27 HB3 ALA 27 22.827 36.920 16.353
210 H GLU 28 H GLU 28 25.637 38.824 18.698
211 HA GLU 28 HA GLU 28 23.576 40.912 19.237
212 HB2 GLU 28 HB2 GLU 28 25.726 39.650 20.988
213 HB3 GLU 28 HB3 GLU 28 24.574 40.852 21.519
214 HG2 GLU 28 HG2 GLU 28 23.402 38.377 20.356
215 HG3 GLU 28 HG3 GLU 28 24.239 38.219 21.896
216 H ASP 29 H ASP 29 26.304 40.825 17.506
217 HA ASP 29 HA ASP 29 28.004 42.150 16.902
218 HB2 ASP 29 HB2 ASP 29 26.204 43.858 16.749
219 HB3 ASP 29 HB3 ASP 29 26.630 44.430 18.350
220 H LYS 30 H LYS 30 28.024 40.664 19.536
221 HA LYS 30 HA LYS 30 30.084 42.225 21.041
222 HB2 LYS 30 HB2 LYS 30 28.267 40.014 22.037
223 HB3 LYS 30 HB3 LYS 30 29.460 40.913 22.991
224 HG2 LYS 30 HG2 LYS 30 26.964 42.074 21.768
225 HG3 LYS 30 HG3 LYS 30 27.143 41.582 23.441
226 HD2 LYS 30 HD2 LYS 30 28.863 43.247 23.849
227 HD3 LYS 30 HD3 LYS 30 28.868 43.733 22.141
228 HE2 LYS 30 HE2 LYS 30 26.454 43.966 23.991
229 HE3 LYS 30 HE3 LYS 30 27.561 45.287 23.592
230 HZ1 LYS 30 HZ1 LYS 30 25.897 43.802 21.634
231 HZ2 LYS 30 HZ2 LYS 30 25.656 45.351 22.137
232 HZ3 LYS 30 HZ3 LYS 30 26.992 44.963 21.250
233 H GLU 31 H GLU 31 31.685 41.018 22.194
234 HA GLU 31 HA GLU 31 32.853 38.627 20.887
235 HB2 GLU 31 HB2 GLU 31 33.549 40.187 23.410
236 HB3 GLU 31 HB3 GLU 31 34.456 38.788 22.855
237 HG2 GLU 31 HG2 GLU 31 34.104 41.270 21.124
238 HG3 GLU 31 HG3 GLU 31 35.406 41.071 22.291
239 H GLY 32 H GLY 32 33.177 36.558 22.132
240 HA2 GLY 32 HA2 GLY 32 30.992 36.075 24.156
241 HA3 GLY 32 HA3 GLY 32 31.348 34.952 22.865
242 H ILE 33 H ILE 33 31.930 35.651 26.124
243 HA ILE 33 HA ILE 33 34.399 33.999 26.122
244 HB ILE 33 HB ILE 33 35.097 35.170 28.213
245 HG12 ILE 33 HG12 ILE 33 34.562 37.651 28.180
246 HG13 ILE 33 HG13 ILE 33 33.157 37.277 27.185
247 HG21 ILE 33 HG21 ILE 33 35.131 36.654 25.550
248 HG22 ILE 33 HG22 ILE 33 36.302 36.831 26.872
249 HG23 ILE 33 HG23 ILE 33 36.192 35.301 25.997
250 HD11 ILE 33 HD11 ILE 33 33.638 36.060 29.943
251 HD12 ILE 33 HD12 ILE 33 32.780 37.590 29.689
252 HD13 ILE 33 HD13 ILE 33 32.114 36.099 29.022
253 H CYS 34 H CYS 34 34.479 32.205 27.037
254 HA CYS 34 HA CYS 34 32.199 31.237 28.576
255 HB2 CYS 34 HB2 CYS 34 34.500 29.532 27.698
256 HB3 CYS 34 HB3 CYS 34 32.783 29.148 27.751
257 H HIS 35 H HIS 35 32.895 32.649 30.356
258 HA HIS 35 HA HIS 35 35.334 32.416 31.802
259 HB2 HIS 35 HB2 HIS 35 34.273 34.005 33.346
260 HB3 HIS 35 HB3 HIS 35 34.013 34.454 31.669
261 HD2 HIS 35 HD2 HIS 35 31.488 34.282 30.698
262 HE1 HIS 35 HE1 HIS 35 29.530 33.285 34.337
263 HE2 HIS 35 HE2 HIS 35 29.180 33.932 31.933
264 H GLY 36 H GLY 36 34.138 29.781 31.751
265 HA2 GLY 36 HA2 GLY 36 34.723 28.510 34.069
266 HA3 GLY 36 HA3 GLY 36 33.121 29.170 34.447
267 H THR 37 H THR 37 31.606 27.628 34.165
268 HA THR 37 HA THR 37 31.683 25.946 31.698
269 HB THR 37 HB THR 37 30.100 24.458 32.761
270 HG1 THR 37 HG1 THR 37 29.119 24.952 34.442
271 HG21 THR 37 HG21 THR 37 31.643 23.429 34.381
272 HG22 THR 37 HG22 THR 37 32.487 23.950 32.917
273 HG23 THR 37 HG23 THR 37 32.613 24.909 34.406
274 H LYS 38 H LYS 38 30.447 28.840 32.517
275 HA LYS 38 HA LYS 38 28.142 28.515 30.632
276 HB2 LYS 38 HB2 LYS 38 28.453 30.709 32.710
277 HB3 LYS 38 HB3 LYS 38 27.035 30.357 31.729
278 HG2 LYS 38 HG2 LYS 38 28.136 28.615 33.969
279 HG3 LYS 38 HG3 LYS 38 26.777 29.719 34.085
280 HD2 LYS 38 HD2 LYS 38 25.453 28.349 32.529
281 HD3 LYS 38 HD3 LYS 38 26.862 27.324 32.217
282 HE2 LYS 38 HE2 LYS 38 25.537 26.114 33.784
283 HE3 LYS 38 HE3 LYS 38 26.951 26.726 34.639
284 HZ1 LYS 38 HZ1 LYS 38 25.244 27.221 36.057
285 HZ2 LYS 38 HZ2 LYS 38 25.349 28.663 35.281
286 HZ3 LYS 38 HZ3 LYS 38 24.155 27.575 34.896
287 H CYS 39 H CYS 39 27.700 30.636 29.470
288 HA CYS 39 HA CYS 39 30.208 32.181 28.970
289 HB2 CYS 39 HB2 CYS 39 29.703 30.639 27.081
290 HB3 CYS 39 HB3 CYS 39 28.147 31.474 26.889
291 H LYS 40 H LYS 40 30.071 34.280 28.466
292 HA LYS 40 HA LYS 40 27.525 35.812 28.689
293 HB2 LYS 40 HB2 LYS 40 28.245 36.396 30.779
294 HB3 LYS 40 HB3 LYS 40 29.873 35.841 30.499
295 HG2 LYS 40 HG2 LYS 40 30.488 37.845 29.319
296 HG3 LYS 40 HG3 LYS 40 28.848 38.506 29.536
297 HD2 LYS 40 HD2 LYS 40 30.513 37.617 31.907
298 HD3 LYS 40 HD3 LYS 40 30.816 39.179 31.171
299 HE2 LYS 40 HE2 LYS 40 28.040 38.306 32.051
300 HE3 LYS 40 HE3 LYS 40 29.172 39.096 33.150
301 HZ1 LYS 40 HZ1 LYS 40 29.280 40.965 31.538
302 HZ2 LYS 40 HZ2 LYS 40 28.076 40.274 30.666
303 HZ3 LYS 40 HZ3 LYS 40 27.766 40.748 32.192
304 H CYS 41 H CYS 41 27.497 37.637 27.262
305 HA CYS 41 HA CYS 41 29.714 37.693 25.331
306 HB2 CYS 41 HB2 CYS 41 27.371 39.579 25.468
307 HB3 CYS 41 HB3 CYS 41 28.641 39.516 24.281
308 H GLY 42 H GLY 42 31.216 39.258 25.102
309 HA2 GLY 42 HA2 GLY 42 32.024 40.473 27.630
310 HA3 GLY 42 HA3 GLY 42 32.998 40.347 26.154
311 H VAL 43 H VAL 43 32.761 41.918 24.538
312 HA VAL 43 HA VAL 43 31.258 44.380 25.110
313 HB VAL 43 HB VAL 43 33.326 45.693 24.533
314 HG11 VAL 43 HG11 VAL 43 34.492 45.423 26.609
315 HG12 VAL 43 HG12 VAL 43 32.757 45.190 26.898
316 HG13 VAL 43 HG13 VAL 43 33.844 43.781 26.815
317 HG21 VAL 43 HG21 VAL 43 35.522 44.653 24.484
318 HG22 VAL 43 HG22 VAL 43 34.809 43.038 24.641
319 HG23 VAL 43 HG23 VAL 43 34.528 44.004 23.176
320 HA PRO 44 HA PRO 44 30.467 44.682 20.682
321 HB2 PRO 44 HB2 PRO 44 31.935 47.315 20.846
322 HB3 PRO 44 HB3 PRO 44 30.387 46.946 20.025
323 HG2 PRO 44 HG2 PRO 44 30.405 48.189 22.431
324 HG3 PRO 44 HG3 PRO 44 29.206 46.902 22.094
325 HD2 PRO 44 HD2 PRO 44 31.736 46.722 23.709
326 HD3 PRO 44 HD3 PRO 44 30.150 45.953 23.975
327 H ILE 45 H ILE 45 31.540 43.798 18.995
328 HA ILE 45 HA ILE 45 34.235 42.931 19.385
329 HB ILE 45 HB ILE 45 34.078 41.862 17.236
330 HG12 ILE 45 HG12 ILE 45 31.650 42.306 16.057
331 HG13 ILE 45 HG13 ILE 45 31.978 43.916 16.650
332 HG21 ILE 45 HG21 ILE 45 32.855 40.864 19.107
333 HG22 ILE 45 HG22 ILE 45 31.373 41.683 18.564
334 HG23 ILE 45 HG23 ILE 45 32.150 40.463 17.540
335 HD11 ILE 45 HD11 ILE 45 32.850 43.598 14.357
336 HD12 ILE 45 HD12 ILE 45 34.231 43.814 15.444
337 HD13 ILE 45 HD13 ILE 45 33.806 42.194 14.882
338 H SER 46 H SER 46 33.147 45.789 17.736
339 HA SER 46 HA SER 46 35.613 45.990 16.176
340 HB2 SER 46 HB2 SER 46 33.327 46.760 15.451
341 HB3 SER 46 HB3 SER 46 33.547 48.167 16.497
342 HG SER 46 HG SER 46 35.134 48.885 15.237
343 H TYR 47 H TYR 47 37.467 46.708 16.825
344 HA TYR 47 HA TYR 47 37.728 48.296 19.348
345 HB2 TYR 47 HB2 TYR 47 39.665 46.421 17.954
346 HB3 TYR 47 HB3 TYR 47 40.046 47.352 19.390
347 HD1 TYR 47 HD1 TYR 47 38.193 44.460 18.112
348 HD2 TYR 47 HD2 TYR 47 39.200 46.786 21.600
349 HE1 TYR 47 HE1 TYR 47 37.403 42.611 19.563
350 HE2 TYR 47 HE2 TYR 47 38.494 44.902 23.061
351 HH TYR 47 HH TYR 47 37.652 42.754 23.156
352 H LEU 48 H LEU 48 37.677 49.157 16.208
353 HA LEU 48 HA LEU 48 40.161 50.782 16.267
354 HB2 LEU 48 HB2 LEU 48 39.984 50.963 13.874
355 HB3 LEU 48 HB3 LEU 48 40.013 49.305 14.430
356 HG LEU 48 HG LEU 48 37.524 49.181 14.037
357 HD11 LEU 48 HD11 LEU 48 36.897 51.556 13.988
358 HD12 LEU 48 HD12 LEU 48 38.022 51.854 12.643
359 HD13 LEU 48 HD13 LEU 48 36.584 50.830 12.423
360 HD21 LEU 48 HD21 LEU 48 37.833 49.014 11.579
361 HD22 LEU 48 HD22 LEU 48 39.354 49.910 11.708
362 HD23 LEU 48 HD23 LEU 48 39.190 48.308 12.460
Start of MODEL 8
1 H1 VAL 1 H1 VAL 1 17.924 16.820 26.116
2 H2 VAL 1 H2 VAL 1 17.327 18.186 26.846
3 H3 VAL 1 H3 VAL 1 17.926 16.933 27.739
4 HA VAL 1 HA VAL 1 20.123 17.267 26.895
5 HB VAL 1 HB VAL 1 18.887 19.657 25.468
6 HG11 VAL 1 HG11 VAL 1 21.781 18.739 25.721
7 HG12 VAL 1 HG12 VAL 1 21.213 19.950 24.550
8 HG13 VAL 1 HG13 VAL 1 21.109 20.294 26.272
9 HG21 VAL 1 HG21 VAL 1 19.736 18.534 23.428
10 HG22 VAL 1 HG22 VAL 1 20.258 17.142 24.398
11 HG23 VAL 1 HG23 VAL 1 18.530 17.544 24.234
12 H HIS 2 H HIS 2 21.505 18.257 28.302
13 HA HIS 2 HA HIS 2 20.631 20.701 29.691
14 HB2 HIS 2 HB2 HIS 2 20.791 19.936 31.874
15 HB3 HIS 2 HB3 HIS 2 19.835 18.720 31.062
16 HD2 HIS 2 HD2 HIS 2 21.412 16.410 30.280
17 HE1 HIS 2 HE1 HIS 2 23.952 16.829 33.673
18 HE2 HIS 2 HE2 HIS 2 23.179 15.226 31.844
19 H LYS 3 H LYS 3 22.478 21.184 31.420
20 HA LYS 3 HA LYS 3 24.534 22.203 29.769
21 HB2 LYS 3 HB2 LYS 3 25.269 23.325 31.972
22 HB3 LYS 3 HB3 LYS 3 23.729 23.718 31.232
23 HG2 LYS 3 HG2 LYS 3 23.608 23.489 33.670
24 HG3 LYS 3 HG3 LYS 3 22.495 22.440 32.797
25 HD2 LYS 3 HD2 LYS 3 24.260 20.550 33.158
26 HD3 LYS 3 HD3 LYS 3 25.020 21.647 34.311
27 HE2 LYS 3 HE2 LYS 3 22.170 20.583 34.286
28 HE3 LYS 3 HE3 LYS 3 23.469 20.072 35.382
29 HZ1 LYS 3 HZ1 LYS 3 22.139 22.733 35.332
30 HZ2 LYS 3 HZ2 LYS 3 22.112 21.641 36.557
31 HZ3 LYS 3 HZ3 LYS 3 23.503 22.427 36.192
32 H MET 4 H MET 4 25.139 19.811 29.334
33 HA MET 4 HA MET 4 27.760 19.285 30.702
34 HB2 MET 4 HB2 MET 4 27.471 16.928 30.056
35 HB3 MET 4 HB3 MET 4 26.294 17.474 31.242
36 HG2 MET 4 HG2 MET 4 24.532 17.581 29.621
37 HG3 MET 4 HG3 MET 4 25.628 17.319 28.275
38 HE1 MET 4 HE1 MET 4 26.760 14.980 27.641
39 HE2 MET 4 HE2 MET 4 27.518 14.905 29.246
40 HE3 MET 4 HE3 MET 4 26.594 13.523 28.644
41 H ALA 5 H ALA 5 28.314 21.067 29.158
42 HA ALA 5 HA ALA 5 28.923 22.014 27.229
43 HB1 ALA 5 HB1 ALA 5 30.744 20.413 27.555
44 HB2 ALA 5 HB2 ALA 5 29.914 19.258 26.480
45 HB3 ALA 5 HB3 ALA 5 30.480 20.814 25.847
46 H LYS 6 H LYS 6 26.151 20.922 27.293
47 HA LYS 6 HA LYS 6 25.591 21.028 24.369
48 HB2 LYS 6 HB2 LYS 6 24.220 19.242 26.381
49 HB3 LYS 6 HB3 LYS 6 23.719 19.504 24.702
50 HG2 LYS 6 HG2 LYS 6 25.940 18.711 23.906
51 HG3 LYS 6 HG3 LYS 6 26.387 18.371 25.583
52 HD2 LYS 6 HD2 LYS 6 24.172 16.928 25.566
53 HD3 LYS 6 HD3 LYS 6 24.422 16.925 23.814
54 HE2 LYS 6 HE2 LYS 6 26.430 16.095 25.956
55 HE3 LYS 6 HE3 LYS 6 25.463 14.967 24.994
56 HZ1 LYS 6 HZ1 LYS 6 27.550 16.808 23.930
57 HZ2 LYS 6 HZ2 LYS 6 27.698 15.194 24.173
58 HZ3 LYS 6 HZ3 LYS 6 26.660 15.740 23.021
59 H ASN 7 H ASN 7 25.467 22.923 26.810
60 HA ASN 7 HA ASN 7 23.225 24.464 25.645
61 HB2 ASN 7 HB2 ASN 7 23.678 24.182 28.657
62 HB3 ASN 7 HB3 ASN 7 22.688 25.433 27.912
63 HD21 ASN 7 HD21 ASN 7 20.270 22.815 26.839
64 HD22 ASN 7 HD22 ASN 7 21.290 23.951 25.937
65 H GLN 8 H GLN 8 26.368 24.390 27.222
66 HA GLN 8 HA GLN 8 26.644 27.300 27.162
67 HB2 GLN 8 HB2 GLN 8 28.851 26.841 28.252
68 HB3 GLN 8 HB3 GLN 8 27.418 26.431 29.123
69 HG2 GLN 8 HG2 GLN 8 28.779 24.278 27.449
70 HG3 GLN 8 HG3 GLN 8 29.488 24.763 28.993
71 HE21 GLN 8 HE21 GLN 8 26.635 23.900 30.935
72 HE22 GLN 8 HE22 GLN 8 28.027 24.944 30.838
73 H PHE 9 H PHE 9 26.319 26.023 24.619
74 HA PHE 9 HA PHE 9 27.107 26.115 22.500
75 HB2 PHE 9 HB2 PHE 9 29.282 27.972 23.503
76 HB3 PHE 9 HB3 PHE 9 28.574 27.913 21.891
77 HD1 PHE 9 HD1 PHE 9 26.167 28.543 21.496
78 HD2 PHE 9 HD2 PHE 9 28.155 29.259 25.255
79 HE1 PHE 9 HE1 PHE 9 24.341 30.087 22.170
80 HE2 PHE 9 HE2 PHE 9 26.301 30.779 25.937
81 HZ PHE 9 HZ PHE 9 24.404 31.190 24.397
82 H GLY 10 H GLY 10 28.611 24.362 24.680
83 HA2 GLY 10 HA2 GLY 10 30.109 22.578 24.496
84 HA3 GLY 10 HA3 GLY 10 30.570 23.087 22.877
85 H CYS 11 H CYS 11 30.759 25.581 25.366
86 HA CYS 11 HA CYS 11 33.723 25.238 25.599
87 HB2 CYS 11 HB2 CYS 11 33.927 27.515 25.987
88 HB3 CYS 11 HB3 CYS 11 33.028 27.314 24.496
89 H PHE 12 H PHE 12 34.580 24.973 27.592
90 HA PHE 12 HA PHE 12 32.994 25.762 29.938
91 HB2 PHE 12 HB2 PHE 12 32.804 23.662 31.005
92 HB3 PHE 12 HB3 PHE 12 32.060 23.528 29.437
93 HD1 PHE 12 HD1 PHE 12 34.371 22.125 31.750
94 HD2 PHE 12 HD2 PHE 12 33.523 22.381 27.530
95 HE1 PHE 12 HE1 PHE 12 35.791 20.154 31.356
96 HE2 PHE 12 HE2 PHE 12 34.968 20.404 27.128
97 HZ PHE 12 HZ PHE 12 36.124 19.295 29.030
98 H ALA 13 H ALA 13 34.127 25.161 32.042
99 HA ALA 13 HA ALA 13 35.822 25.509 33.476
100 HB1 ALA 13 HB1 ALA 13 36.183 23.186 32.767
101 HB2 ALA 13 HB2 ALA 13 37.316 23.730 31.530
102 HB3 ALA 13 HB3 ALA 13 37.691 23.963 33.248
103 H ASN 14 H ASN 14 35.713 27.581 31.298
104 HA ASN 14 HA ASN 14 36.821 29.166 30.299
105 HB2 ASN 14 HB2 ASN 14 37.216 29.713 32.809
106 HB3 ASN 14 HB3 ASN 14 38.910 29.215 32.475
107 HD21 ASN 14 HD21 ASN 14 39.429 31.743 30.166
108 HD22 ASN 14 HD22 ASN 14 39.852 30.104 30.529
109 H VAL 15 H VAL 15 37.142 26.977 28.987
110 HA VAL 15 HA VAL 15 39.975 27.006 28.036
111 HB VAL 15 HB VAL 15 37.895 24.837 27.619
112 HG11 VAL 15 HG11 VAL 15 39.785 23.420 26.936
113 HG12 VAL 15 HG12 VAL 15 39.653 24.803 25.869
114 HG13 VAL 15 HG13 VAL 15 40.901 24.770 27.132
115 HG21 VAL 15 HG21 VAL 15 39.206 23.460 29.212
116 HG22 VAL 15 HG22 VAL 15 40.276 24.842 29.535
117 HG23 VAL 15 HG23 VAL 15 38.576 24.888 30.019
118 H ASP 16 H ASP 16 40.082 26.805 25.662
119 HA ASP 16 HA ASP 16 37.972 28.380 24.286
120 HB2 ASP 16 HB2 ASP 16 39.975 29.760 24.782
121 HB3 ASP 16 HB3 ASP 16 41.019 28.523 24.103
122 H VAL 17 H VAL 17 37.611 26.155 24.653
123 HA VAL 17 HA VAL 17 38.147 23.956 23.116
124 HB VAL 17 HB VAL 17 35.359 24.827 23.897
125 HG11 VAL 17 HG11 VAL 17 35.155 22.452 24.564
126 HG12 VAL 17 HG12 VAL 17 35.670 22.604 22.891
127 HG13 VAL 17 HG13 VAL 17 36.853 22.193 24.147
128 HG21 VAL 17 HG21 VAL 17 37.395 23.807 25.870
129 HG22 VAL 17 HG22 VAL 17 36.566 25.411 25.944
130 HG23 VAL 17 HG23 VAL 17 35.662 23.924 26.189
131 H LYS 18 H LYS 18 36.972 23.022 21.268
132 HA LYS 18 HA LYS 18 36.731 24.841 19.022
133 HB2 LYS 18 HB2 LYS 18 35.915 21.925 19.271
134 HB3 LYS 18 HB3 LYS 18 36.033 22.838 17.767
135 HG2 LYS 18 HG2 LYS 18 38.374 22.168 19.585
136 HG3 LYS 18 HG3 LYS 18 37.974 21.404 18.049
137 HD2 LYS 18 HD2 LYS 18 38.329 23.560 16.885
138 HD3 LYS 18 HD3 LYS 18 38.753 24.311 18.447
139 HE2 LYS 18 HE2 LYS 18 40.588 22.661 18.719
140 HE3 LYS 18 HE3 LYS 18 40.211 21.996 17.119
141 HZ1 LYS 18 HZ1 LYS 18 40.982 24.801 17.673
142 HZ2 LYS 18 HZ2 LYS 18 42.001 23.676 17.071
143 HZ3 LYS 18 HZ3 LYS 18 40.713 24.163 16.172
144 H GLY 19 H GLY 19 34.317 23.533 21.212
145 HA2 GLY 19 HA2 GLY 19 32.030 24.654 19.785
146 HA3 GLY 19 HA3 GLY 19 32.099 24.150 21.471
147 H ASP 20 H ASP 20 33.247 26.708 19.278
148 HA ASP 20 HA ASP 20 33.892 28.613 21.302
149 HB2 ASP 20 HB2 ASP 20 34.109 30.209 19.544
150 HB3 ASP 20 HB3 ASP 20 34.783 28.664 19.007
151 H CYS 21 H CYS 21 32.951 30.550 21.926
152 HA CYS 21 HA CYS 21 29.967 30.729 21.725
153 HB2 CYS 21 HB2 CYS 21 31.147 30.608 23.957
154 HB3 CYS 21 HB3 CYS 21 31.884 32.164 23.558
155 H LYS 22 H LYS 22 32.951 32.299 20.798
156 HA LYS 22 HA LYS 22 32.426 34.879 20.146
157 HB2 LYS 22 HB2 LYS 22 34.477 33.533 19.623
158 HB3 LYS 22 HB3 LYS 22 33.608 32.701 18.350
159 HG2 LYS 22 HG2 LYS 22 34.857 34.215 17.153
160 HG3 LYS 22 HG3 LYS 22 33.306 35.027 17.250
161 HD2 LYS 22 HD2 LYS 22 34.951 36.655 17.618
162 HD3 LYS 22 HD3 LYS 22 34.246 36.377 19.211
163 HE2 LYS 22 HE2 LYS 22 36.162 35.014 19.864
164 HE3 LYS 22 HE3 LYS 22 36.806 35.021 18.220
165 HZ1 LYS 22 HZ1 LYS 22 36.511 37.507 19.827
166 HZ2 LYS 22 HZ2 LYS 22 37.910 36.644 19.747
167 HZ3 LYS 22 HZ3 LYS 22 37.288 37.353 18.417
168 H ARG 23 H ARG 23 31.264 32.141 18.041
169 HA ARG 23 HA ARG 23 29.905 33.827 16.155
170 HB2 ARG 23 HB2 ARG 23 29.725 30.916 16.988
171 HB3 ARG 23 HB3 ARG 23 28.641 31.546 15.748
172 HG2 ARG 23 HG2 ARG 23 30.350 31.911 14.205
173 HG3 ARG 23 HG3 ARG 23 31.628 31.891 15.421
174 HD2 ARG 23 HD2 ARG 23 31.361 29.829 13.859
175 HD3 ARG 23 HD3 ARG 23 31.666 29.559 15.557
176 HE ARG 23 HE ARG 23 28.961 29.385 14.284
177 HH11 ARG 23 HH11 ARG 23 31.060 28.302 16.900
178 HH12 ARG 23 HH12 ARG 23 29.798 27.307 17.588
179 HH21 ARG 23 HH21 ARG 23 27.448 28.016 15.171
180 HH22 ARG 23 HH22 ARG 23 27.795 27.257 16.695
181 H HIS 24 H HIS 24 28.639 32.523 19.202
182 HA HIS 24 HA HIS 24 25.862 33.253 18.605
183 HB2 HIS 24 HB2 HIS 24 25.984 31.555 20.175
184 HB3 HIS 24 HB3 HIS 24 27.389 32.232 20.983
185 HD2 HIS 24 HD2 HIS 24 26.939 33.079 23.281
186 HE1 HIS 24 HE1 HIS 24 22.876 34.324 22.930
187 HE2 HIS 24 HE2 HIS 24 24.825 34.092 24.532
188 H CYS 25 H CYS 25 28.510 34.748 20.520
189 HA CYS 25 HA CYS 25 26.896 37.089 21.111
190 HB2 CYS 25 HB2 CYS 25 29.783 36.349 21.465
191 HB3 CYS 25 HB3 CYS 25 29.239 37.988 21.781
192 H LYS 26 H LYS 26 29.104 36.343 18.399
193 HA LYS 26 HA LYS 26 29.397 38.953 17.398
194 HB2 LYS 26 HB2 LYS 26 30.598 36.917 16.593
195 HB3 LYS 26 HB3 LYS 26 29.117 36.346 15.839
196 HG2 LYS 26 HG2 LYS 26 30.536 37.291 14.142
197 HG3 LYS 26 HG3 LYS 26 29.136 38.318 14.326
198 HD2 LYS 26 HD2 LYS 26 31.073 39.698 14.036
199 HD3 LYS 26 HD3 LYS 26 30.468 39.933 15.665
200 HE2 LYS 26 HE2 LYS 26 32.871 39.860 15.753
201 HE3 LYS 26 HE3 LYS 26 32.278 38.374 16.505
202 HZ1 LYS 26 HZ1 LYS 26 33.181 38.569 13.677
203 HZ2 LYS 26 HZ2 LYS 26 34.130 38.039 14.925
204 HZ3 LYS 26 HZ3 LYS 26 32.815 37.186 14.505
205 H ALA 27 H ALA 27 26.514 36.901 17.267
206 HA ALA 27 HA ALA 27 25.110 38.410 15.259
207 HB1 ALA 27 HB1 ALA 27 23.175 37.150 16.058
208 HB2 ALA 27 HB2 ALA 27 24.588 36.074 15.946
209 HB3 ALA 27 HB3 ALA 27 24.055 36.683 17.530
210 H GLU 28 H GLU 28 25.650 38.979 18.696
211 HA GLU 28 HA GLU 28 23.717 41.244 18.774
212 HB2 GLU 28 HB2 GLU 28 25.542 40.218 20.985
213 HB3 GLU 28 HB3 GLU 28 24.254 41.399 21.119
214 HG2 GLU 28 HG2 GLU 28 23.009 39.089 20.036
215 HG3 GLU 28 HG3 GLU 28 24.134 38.483 21.233
216 H ASP 29 H ASP 29 26.504 40.937 17.292
217 HA ASP 29 HA ASP 29 28.347 42.043 16.802
218 HB2 ASP 29 HB2 ASP 29 26.485 43.805 16.381
219 HB3 ASP 29 HB3 ASP 29 27.181 44.653 17.771
220 H LYS 30 H LYS 30 28.352 40.728 19.245
221 HA LYS 30 HA LYS 30 30.250 42.298 20.933
222 HB2 LYS 30 HB2 LYS 30 28.477 39.983 21.751
223 HB3 LYS 30 HB3 LYS 30 29.584 40.889 22.793
224 HG2 LYS 30 HG2 LYS 30 27.109 42.005 21.477
225 HG3 LYS 30 HG3 LYS 30 27.195 41.390 23.117
226 HD2 LYS 30 HD2 LYS 30 28.775 43.092 23.805
227 HD3 LYS 30 HD3 LYS 30 28.909 43.716 22.144
228 HE2 LYS 30 HE2 LYS 30 26.301 43.588 23.720
229 HE3 LYS 30 HE3 LYS 30 27.324 45.034 23.617
230 HZ1 LYS 30 HZ1 LYS 30 26.150 43.666 21.243
231 HZ2 LYS 30 HZ2 LYS 30 25.552 45.025 21.945
232 HZ3 LYS 30 HZ3 LYS 30 27.037 45.023 21.232
233 H GLU 31 H GLU 31 31.853 41.080 22.048
234 HA GLU 31 HA GLU 31 32.974 38.649 20.736
235 HB2 GLU 31 HB2 GLU 31 33.709 40.238 23.229
236 HB3 GLU 31 HB3 GLU 31 34.558 38.786 22.741
237 HG2 GLU 31 HG2 GLU 31 34.308 41.145 20.830
238 HG3 GLU 31 HG3 GLU 31 35.582 41.041 22.044
239 H GLY 32 H GLY 32 33.188 36.595 21.941
240 HA2 GLY 32 HA2 GLY 32 31.029 36.150 23.993
241 HA3 GLY 32 HA3 GLY 32 31.426 34.977 22.766
242 H ILE 33 H ILE 33 31.910 35.765 25.989
243 HA ILE 33 HA ILE 33 34.468 34.272 26.104
244 HB ILE 33 HB ILE 33 34.916 35.446 28.273
245 HG12 ILE 33 HG12 ILE 33 34.236 37.931 28.119
246 HG13 ILE 33 HG13 ILE 33 32.866 37.383 27.162
247 HG21 ILE 33 HG21 ILE 33 36.166 35.673 26.137
248 HG22 ILE 33 HG22 ILE 33 35.058 36.961 25.622
249 HG23 ILE 33 HG23 ILE 33 36.124 37.198 27.022
250 HD11 ILE 33 HD11 ILE 33 33.513 36.346 29.967
251 HD12 ILE 33 HD12 ILE 33 32.486 37.763 29.659
252 HD13 ILE 33 HD13 ILE 33 31.981 36.175 29.086
253 H CYS 34 H CYS 34 34.495 32.389 26.874
254 HA CYS 34 HA CYS 34 32.324 31.390 28.560
255 HB2 CYS 34 HB2 CYS 34 34.714 30.012 27.378
256 HB3 CYS 34 HB3 CYS 34 33.363 29.238 28.189
257 H HIS 35 H HIS 35 32.741 32.734 30.380
258 HA HIS 35 HA HIS 35 35.178 32.719 31.822
259 HB2 HIS 35 HB2 HIS 35 33.857 33.989 33.501
260 HB3 HIS 35 HB3 HIS 35 33.653 34.579 31.861
261 HD2 HIS 35 HD2 HIS 35 31.272 34.142 30.646
262 HE1 HIS 35 HE1 HIS 35 29.138 33.106 34.197
263 HE2 HIS 35 HE2 HIS 35 28.875 33.728 31.756
264 H GLY 36 H GLY 36 33.616 29.992 31.592
265 HA2 GLY 36 HA2 GLY 36 34.701 28.533 33.665
266 HA3 GLY 36 HA3 GLY 36 33.204 29.166 34.357
267 H THR 37 H THR 37 31.859 27.325 34.343
268 HA THR 37 HA THR 37 31.461 25.828 31.830
269 HB THR 37 HB THR 37 29.382 24.994 33.382
270 HG1 THR 37 HG1 THR 37 29.784 25.994 35.210
271 HG21 THR 37 HG21 THR 37 30.911 23.139 34.051
272 HG22 THR 37 HG22 THR 37 30.926 23.524 32.328
273 HG23 THR 37 HG23 THR 37 32.271 24.074 33.381
274 H LYS 38 H LYS 38 30.507 28.895 32.546
275 HA LYS 38 HA LYS 38 28.164 28.683 30.671
276 HB2 LYS 38 HB2 LYS 38 28.710 30.946 32.618
277 HB3 LYS 38 HB3 LYS 38 27.275 30.705 31.641
278 HG2 LYS 38 HG2 LYS 38 28.118 29.072 34.060
279 HG3 LYS 38 HG3 LYS 38 26.852 30.291 33.977
280 HD2 LYS 38 HD2 LYS 38 25.688 28.795 32.240
281 HD3 LYS 38 HD3 LYS 38 26.872 27.541 32.684
282 HE2 LYS 38 HE2 LYS 38 26.188 27.946 35.120
283 HE3 LYS 38 HE3 LYS 38 24.868 28.950 34.505
284 HZ1 LYS 38 HZ1 LYS 38 25.285 26.064 34.008
285 HZ2 LYS 38 HZ2 LYS 38 24.086 26.723 34.883
286 HZ3 LYS 38 HZ3 LYS 38 24.122 26.957 33.247
287 H CYS 39 H CYS 39 27.871 30.552 29.251
288 HA CYS 39 HA CYS 39 30.340 32.167 28.773
289 HB2 CYS 39 HB2 CYS 39 30.046 30.580 26.901
290 HB3 CYS 39 HB3 CYS 39 28.421 31.234 26.639
291 H LYS 40 H LYS 40 30.165 34.261 28.424
292 HA LYS 40 HA LYS 40 27.545 35.673 28.368
293 HB2 LYS 40 HB2 LYS 40 27.916 35.985 30.593
294 HB3 LYS 40 HB3 LYS 40 29.648 35.737 30.478
295 HG2 LYS 40 HG2 LYS 40 30.087 37.913 29.735
296 HG3 LYS 40 HG3 LYS 40 28.357 38.321 29.628
297 HD2 LYS 40 HD2 LYS 40 29.803 37.528 32.195
298 HD3 LYS 40 HD3 LYS 40 29.525 39.193 31.669
299 HE2 LYS 40 HE2 LYS 40 27.037 38.668 31.600
300 HE3 LYS 40 HE3 LYS 40 27.395 37.118 32.376
301 HZ1 LYS 40 HZ1 LYS 40 28.316 38.341 34.253
302 HZ2 LYS 40 HZ2 LYS 40 28.069 39.781 33.514
303 HZ3 LYS 40 HZ3 LYS 40 26.788 38.884 33.969
304 H CYS 41 H CYS 41 27.755 37.831 27.327
305 HA CYS 41 HA CYS 41 29.930 37.760 25.343
306 HB2 CYS 41 HB2 CYS 41 27.764 39.834 25.630
307 HB3 CYS 41 HB3 CYS 41 28.979 39.724 24.385
308 H GLY 42 H GLY 42 31.476 39.342 24.992
309 HA2 GLY 42 HA2 GLY 42 32.592 40.358 27.523
310 HA3 GLY 42 HA3 GLY 42 33.447 40.195 25.987
311 H VAL 43 H VAL 43 33.028 41.788 24.311
312 HA VAL 43 HA VAL 43 31.926 44.371 25.155
313 HB VAL 43 HB VAL 43 33.974 45.517 24.344
314 HG11 VAL 43 HG11 VAL 43 35.487 44.986 26.141
315 HG12 VAL 43 HG12 VAL 43 33.830 44.868 26.743
316 HG13 VAL 43 HG13 VAL 43 34.751 43.391 26.369
317 HG21 VAL 43 HG21 VAL 43 34.754 43.884 22.669
318 HG22 VAL 43 HG22 VAL 43 36.016 44.272 23.827
319 HG23 VAL 43 HG23 VAL 43 35.156 42.734 23.962
320 HA PRO 44 HA PRO 44 30.582 44.875 20.891
321 HB2 PRO 44 HB2 PRO 44 32.030 47.538 21.045
322 HB3 PRO 44 HB3 PRO 44 30.407 47.205 20.410
323 HG2 PRO 44 HG2 PRO 44 30.718 48.272 22.877
324 HG3 PRO 44 HG3 PRO 44 29.524 46.950 22.632
325 HD2 PRO 44 HD2 PRO 44 32.303 46.735 23.811
326 HD3 PRO 44 HD3 PRO 44 30.772 45.981 24.316
327 H ILE 45 H ILE 45 31.493 44.163 18.986
328 HA ILE 45 HA ILE 45 34.185 43.306 19.062
329 HB ILE 45 HB ILE 45 33.878 42.489 16.794
330 HG12 ILE 45 HG12 ILE 45 31.322 42.733 15.992
331 HG13 ILE 45 HG13 ILE 45 31.465 44.308 16.741
332 HG21 ILE 45 HG21 ILE 45 32.014 40.973 17.332
333 HG22 ILE 45 HG22 ILE 45 33.083 41.227 18.713
334 HG23 ILE 45 HG23 ILE 45 31.513 42.054 18.626
335 HD11 ILE 45 HD11 ILE 45 33.296 43.182 14.569
336 HD12 ILE 45 HD12 ILE 45 31.965 44.326 14.308
337 HD13 ILE 45 HD13 ILE 45 33.394 44.820 15.226
338 H SER 46 H SER 46 32.907 46.228 17.548
339 HA SER 46 HA SER 46 34.868 46.704 15.685
340 HB2 SER 46 HB2 SER 46 33.263 48.688 17.317
341 HB3 SER 46 HB3 SER 46 34.159 49.081 15.847
342 HG SER 46 HG SER 46 31.899 47.444 16.208
343 H TYR 47 H TYR 47 37.010 46.787 15.881
344 HA TYR 47 HA TYR 47 38.345 47.678 18.318
345 HB2 TYR 47 HB2 TYR 47 39.464 46.763 15.650
346 HB3 TYR 47 HB3 TYR 47 40.398 47.021 17.118
347 HD1 TYR 47 HD1 TYR 47 39.592 45.659 19.263
348 HD2 TYR 47 HD2 TYR 47 38.768 44.571 15.172
349 HE1 TYR 47 HE1 TYR 47 39.288 43.282 19.951
350 HE2 TYR 47 HE2 TYR 47 38.449 42.202 15.867
351 HH TYR 47 HH TYR 47 38.761 41.179 19.290
352 H LEU 48 H LEU 48 37.460 49.272 15.390
353 HA LEU 48 HA LEU 48 38.928 51.691 16.215
354 HB2 LEU 48 HB2 LEU 48 39.671 52.182 13.968
355 HB3 LEU 48 HB3 LEU 48 40.457 50.774 14.648
356 HG LEU 48 HG LEU 48 38.279 50.625 12.529
357 HD11 LEU 48 HD11 LEU 48 41.310 50.457 12.292
358 HD12 LEU 48 HD12 LEU 48 40.135 50.246 10.973
359 HD13 LEU 48 HD13 LEU 48 40.304 51.823 11.761
360 HD21 LEU 48 HD21 LEU 48 38.515 48.463 13.694
361 HD22 LEU 48 HD22 LEU 48 39.275 48.358 12.116
362 HD23 LEU 48 HD23 LEU 48 40.283 48.560 13.564
Start of MODEL 9
1 H1 VAL 1 H1 VAL 1 15.871 20.203 26.180
2 H2 VAL 1 H2 VAL 1 16.983 21.420 26.102
3 H3 VAL 1 H3 VAL 1 16.315 21.020 27.527
4 HA VAL 1 HA VAL 1 17.292 18.717 27.222
5 HB VAL 1 HB VAL 1 19.303 18.589 25.876
6 HG11 VAL 1 HG11 VAL 1 16.970 19.581 24.177
7 HG12 VAL 1 HG12 VAL 1 18.299 18.533 23.665
8 HG13 VAL 1 HG13 VAL 1 17.138 17.945 24.860
9 HG21 VAL 1 HG21 VAL 1 19.970 20.269 24.263
10 HG22 VAL 1 HG22 VAL 1 18.682 21.360 24.774
11 HG23 VAL 1 HG23 VAL 1 20.017 20.971 25.883
12 H HIS 2 H HIS 2 19.629 18.333 28.156
13 HA HIS 2 HA HIS 2 19.692 19.971 30.517
14 HB2 HIS 2 HB2 HIS 2 21.363 18.505 31.329
15 HB3 HIS 2 HB3 HIS 2 20.136 17.571 30.499
16 HD2 HIS 2 HD2 HIS 2 21.754 15.505 30.121
17 HE1 HIS 2 HE1 HIS 2 24.715 17.414 27.752
18 HE2 HIS 2 HE2 HIS 2 23.945 15.199 28.661
19 H LYS 3 H LYS 3 21.990 20.608 31.454
20 HA LYS 3 HA LYS 3 22.900 22.707 29.568
21 HB2 LYS 3 HB2 LYS 3 22.910 23.103 32.541
22 HB3 LYS 3 HB3 LYS 3 22.966 24.298 31.250
23 HG2 LYS 3 HG2 LYS 3 20.563 22.666 32.169
24 HG3 LYS 3 HG3 LYS 3 20.858 24.379 32.418
25 HD2 LYS 3 HD2 LYS 3 20.642 24.787 29.968
26 HD3 LYS 3 HD3 LYS 3 20.281 23.065 29.755
27 HE2 LYS 3 HE2 LYS 3 18.462 23.569 31.650
28 HE3 LYS 3 HE3 LYS 3 18.618 25.219 31.018
29 HZ1 LYS 3 HZ1 LYS 3 17.854 22.786 29.496
30 HZ2 LYS 3 HZ2 LYS 3 16.882 24.035 29.857
31 HZ3 LYS 3 HZ3 LYS 3 18.103 24.217 28.769
32 H MET 4 H MET 4 24.376 20.536 29.266
33 HA MET 4 HA MET 4 27.024 21.439 30.161
34 HB2 MET 4 HB2 MET 4 27.770 19.301 31.000
35 HB3 MET 4 HB3 MET 4 26.475 19.985 31.971
36 HG2 MET 4 HG2 MET 4 24.856 18.442 30.840
37 HG3 MET 4 HG3 MET 4 26.228 17.672 30.028
38 HE1 MET 4 HE1 MET 4 25.436 15.345 30.967
39 HE2 MET 4 HE2 MET 4 25.170 14.994 32.689
40 HE3 MET 4 HE3 MET 4 24.074 16.097 31.830
41 H ALA 5 H ALA 5 28.151 21.625 28.443
42 HA ALA 5 HA ALA 5 28.515 21.918 26.294
43 HB1 ALA 5 HB1 ALA 5 28.574 18.899 26.253
44 HB2 ALA 5 HB2 ALA 5 29.338 19.980 25.072
45 HB3 ALA 5 HB3 ALA 5 29.885 19.978 26.762
46 H LYS 6 H LYS 6 25.468 21.287 26.982
47 HA LYS 6 HA LYS 6 24.560 21.383 24.116
48 HB2 LYS 6 HB2 LYS 6 23.113 20.514 26.609
49 HB3 LYS 6 HB3 LYS 6 22.350 20.765 25.027
50 HG2 LYS 6 HG2 LYS 6 23.984 19.074 24.065
51 HG3 LYS 6 HG3 LYS 6 24.499 18.730 25.728
52 HD2 LYS 6 HD2 LYS 6 22.042 18.274 26.268
53 HD3 LYS 6 HD3 LYS 6 21.713 18.389 24.528
54 HE2 LYS 6 HE2 LYS 6 23.273 16.527 24.090
55 HE3 LYS 6 HE3 LYS 6 23.698 16.449 25.801
56 HZ1 LYS 6 HZ1 LYS 6 21.349 15.928 26.287
57 HZ2 LYS 6 HZ2 LYS 6 20.984 15.990 24.692
58 HZ3 LYS 6 HZ3 LYS 6 21.967 14.818 25.232
59 H ASN 7 H ASN 7 25.238 23.476 26.620
60 HA ASN 7 HA ASN 7 23.351 25.537 25.632
61 HB2 ASN 7 HB2 ASN 7 23.342 24.232 28.317
62 HB3 ASN 7 HB3 ASN 7 23.121 25.963 28.341
63 HD21 ASN 7 HD21 ASN 7 20.078 23.765 26.943
64 HD22 ASN 7 HD22 ASN 7 21.538 22.937 27.457
65 H GLN 8 H GLN 8 26.431 24.946 26.192
66 HA GLN 8 HA GLN 8 27.097 27.790 26.774
67 HB2 GLN 8 HB2 GLN 8 29.075 26.957 28.038
68 HB3 GLN 8 HB3 GLN 8 27.529 26.713 28.793
69 HG2 GLN 8 HG2 GLN 8 28.707 24.464 27.116
70 HG3 GLN 8 HG3 GLN 8 29.382 24.788 28.712
71 HE21 GLN 8 HE21 GLN 8 27.948 24.793 30.576
72 HE22 GLN 8 HE22 GLN 8 26.498 23.783 30.534
73 H PHE 9 H PHE 9 26.818 26.086 24.298
74 HA PHE 9 HA PHE 9 27.811 25.906 22.263
75 HB2 PHE 9 HB2 PHE 9 29.620 28.157 23.161
76 HB3 PHE 9 HB3 PHE 9 29.121 27.785 21.514
77 HD1 PHE 9 HD1 PHE 9 26.707 28.035 20.815
78 HD2 PHE 9 HD2 PHE 9 28.074 29.339 24.680
79 HE1 PHE 9 HE1 PHE 9 24.566 29.238 21.164
80 HE2 PHE 9 HE2 PHE 9 25.931 30.564 25.021
81 HZ PHE 9 HZ PHE 9 24.174 30.488 23.281
82 H GLY 10 H GLY 10 28.565 24.140 24.216
83 HA2 GLY 10 HA2 GLY 10 30.087 22.446 24.690
84 HA3 GLY 10 HA3 GLY 10 30.979 22.901 23.241
85 H CYS 11 H CYS 11 30.765 25.603 25.359
86 HA CYS 11 HA CYS 11 33.657 25.386 25.855
87 HB2 CYS 11 HB2 CYS 11 32.332 27.310 24.615
88 HB3 CYS 11 HB3 CYS 11 32.015 27.839 26.263
89 H PHE 12 H PHE 12 34.451 24.946 27.690
90 HA PHE 12 HA PHE 12 32.964 25.611 30.124
91 HB2 PHE 12 HB2 PHE 12 32.561 23.459 30.898
92 HB3 PHE 12 HB3 PHE 12 32.094 23.386 29.222
93 HD1 PHE 12 HD1 PHE 12 33.800 21.713 31.780
94 HD2 PHE 12 HD2 PHE 12 34.175 22.606 27.571
95 HE1 PHE 12 HE1 PHE 12 35.443 19.894 31.541
96 HE2 PHE 12 HE2 PHE 12 35.840 20.779 27.340
97 HZ PHE 12 HZ PHE 12 36.488 19.430 29.323
98 H ALA 13 H ALA 13 34.280 24.545 32.112
99 HA ALA 13 HA ALA 13 36.082 24.929 33.411
100 HB1 ALA 13 HB1 ALA 13 36.494 22.695 32.470
101 HB2 ALA 13 HB2 ALA 13 37.485 23.421 31.186
102 HB3 ALA 13 HB3 ALA 13 37.991 23.537 32.892
103 H ASN 14 H ASN 14 35.493 27.147 31.776
104 HA ASN 14 HA ASN 14 36.150 29.133 31.149
105 HB2 ASN 14 HB2 ASN 14 37.449 28.654 33.510
106 HB3 ASN 14 HB3 ASN 14 38.809 29.115 32.462
107 HD21 ASN 14 HD21 ASN 14 37.741 32.333 31.918
108 HD22 ASN 14 HD22 ASN 14 38.568 30.983 31.172
109 H VAL 15 H VAL 15 37.076 26.810 29.327
110 HA VAL 15 HA VAL 15 39.586 27.860 28.181
111 HB VAL 15 HB VAL 15 37.942 25.516 27.152
112 HG11 VAL 15 HG11 VAL 15 39.750 25.874 25.618
113 HG12 VAL 15 HG12 VAL 15 40.879 26.320 26.929
114 HG13 VAL 15 HG13 VAL 15 40.355 24.651 26.684
115 HG21 VAL 15 HG21 VAL 15 38.397 25.083 29.577
116 HG22 VAL 15 HG22 VAL 15 39.339 24.025 28.557
117 HG23 VAL 15 HG23 VAL 15 40.105 25.436 29.315
118 H ASP 16 H ASP 16 39.228 27.413 25.472
119 HA ASP 16 HA ASP 16 36.851 28.862 24.554
120 HB2 ASP 16 HB2 ASP 16 38.923 30.447 24.590
121 HB3 ASP 16 HB3 ASP 16 39.616 29.398 23.351
122 H VAL 17 H VAL 17 35.791 27.423 23.620
123 HA VAL 17 HA VAL 17 37.213 25.025 22.597
124 HB VAL 17 HB VAL 17 34.647 25.067 24.134
125 HG11 VAL 17 HG11 VAL 17 34.959 22.993 22.964
126 HG12 VAL 17 HG12 VAL 17 36.650 22.867 23.524
127 HG13 VAL 17 HG13 VAL 17 35.295 22.689 24.650
128 HG21 VAL 17 HG21 VAL 17 37.439 24.611 25.235
129 HG22 VAL 17 HG22 VAL 17 36.337 25.937 25.707
130 HG23 VAL 17 HG23 VAL 17 35.946 24.274 26.138
131 H LYS 18 H LYS 18 36.155 23.698 21.229
132 HA LYS 18 HA LYS 18 35.833 24.422 18.767
133 HB2 LYS 18 HB2 LYS 18 34.056 22.211 19.867
134 HB3 LYS 18 HB3 LYS 18 34.692 22.350 18.231
135 HG2 LYS 18 HG2 LYS 18 36.265 21.806 20.764
136 HG3 LYS 18 HG3 LYS 18 35.942 20.683 19.438
137 HD2 LYS 18 HD2 LYS 18 37.261 22.211 17.924
138 HD3 LYS 18 HD3 LYS 18 37.718 23.175 19.327
139 HE2 LYS 18 HE2 LYS 18 38.318 20.223 18.892
140 HE3 LYS 18 HE3 LYS 18 39.451 21.568 18.690
141 HZ1 LYS 18 HZ1 LYS 18 38.240 20.659 21.245
142 HZ2 LYS 18 HZ2 LYS 18 39.827 20.604 20.830
143 HZ3 LYS 18 HZ3 LYS 18 39.100 22.049 21.099
144 H GLY 19 H GLY 19 32.800 24.430 20.708
145 HA2 GLY 19 HA2 GLY 19 31.133 25.051 18.386
146 HA3 GLY 19 HA3 GLY 19 30.619 24.962 20.065
147 H ASP 20 H ASP 20 33.086 26.939 20.401
148 HA ASP 20 HA ASP 20 33.447 29.054 20.783
149 HB2 ASP 20 HB2 ASP 20 32.521 29.064 17.950
150 HB3 ASP 20 HB3 ASP 20 32.654 30.619 18.769
151 H CYS 21 H CYS 21 32.649 30.015 22.382
152 HA CYS 21 HA CYS 21 29.920 30.999 22.681
153 HB2 CYS 21 HB2 CYS 21 31.394 30.433 24.589
154 HB3 CYS 21 HB3 CYS 21 32.613 31.558 24.007
155 H LYS 22 H LYS 22 32.992 32.218 21.409
156 HA LYS 22 HA LYS 22 32.552 34.874 20.795
157 HB2 LYS 22 HB2 LYS 22 34.572 33.484 20.261
158 HB3 LYS 22 HB3 LYS 22 33.667 32.690 18.989
159 HG2 LYS 22 HG2 LYS 22 34.973 34.225 17.860
160 HG3 LYS 22 HG3 LYS 22 33.391 34.963 17.855
161 HD2 LYS 22 HD2 LYS 22 35.117 36.612 18.231
162 HD3 LYS 22 HD3 LYS 22 34.128 36.498 19.692
163 HE2 LYS 22 HE2 LYS 22 35.815 35.270 20.860
164 HE3 LYS 22 HE3 LYS 22 36.701 34.897 19.375
165 HZ1 LYS 22 HZ1 LYS 22 37.601 36.986 19.289
166 HZ2 LYS 22 HZ2 LYS 22 36.399 37.717 20.150
167 HZ3 LYS 22 HZ3 LYS 22 37.528 36.773 20.915
168 H ARG 23 H ARG 23 31.179 32.118 18.847
169 HA ARG 23 HA ARG 23 30.121 33.882 16.825
170 HB2 ARG 23 HB2 ARG 23 29.454 30.991 17.475
171 HB3 ARG 23 HB3 ARG 23 28.971 31.858 16.008
172 HG2 ARG 23 HG2 ARG 23 31.345 32.261 15.444
173 HG3 ARG 23 HG3 ARG 23 31.852 31.341 16.857
174 HD2 ARG 23 HD2 ARG 23 30.335 30.332 14.450
175 HD3 ARG 23 HD3 ARG 23 32.004 29.970 14.927
176 HE ARG 23 HE ARG 23 30.076 29.134 16.934
177 HH11 ARG 23 HH11 ARG 23 31.627 28.039 13.968
178 HH12 ARG 23 HH12 ARG 23 30.991 26.432 14.138
179 HH21 ARG 23 HH21 ARG 23 29.654 27.033 17.249
180 HH22 ARG 23 HH22 ARG 23 29.982 25.847 16.004
181 H HIS 24 H HIS 24 28.454 32.238 19.567
182 HA HIS 24 HA HIS 24 25.901 33.285 18.850
183 HB2 HIS 24 HB2 HIS 24 25.248 31.914 20.447
184 HB3 HIS 24 HB3 HIS 24 26.909 31.609 20.902
185 HD2 HIS 24 HD2 HIS 24 27.890 33.023 22.971
186 HE1 HIS 24 HE1 HIS 24 24.105 34.171 24.554
187 HE2 HIS 24 HE2 HIS 24 26.585 34.023 25.058
188 H CYS 25 H CYS 25 28.478 34.744 20.832
189 HA CYS 25 HA CYS 25 26.971 37.175 21.348
190 HB2 CYS 25 HB2 CYS 25 29.888 36.399 21.531
191 HB3 CYS 25 HB3 CYS 25 29.313 38.007 21.935
192 H LYS 26 H LYS 26 29.284 36.239 18.740
193 HA LYS 26 HA LYS 26 29.560 38.770 17.534
194 HB2 LYS 26 HB2 LYS 26 30.935 36.762 17.008
195 HB3 LYS 26 HB3 LYS 26 29.540 36.002 16.255
196 HG2 LYS 26 HG2 LYS 26 30.973 36.782 14.522
197 HG3 LYS 26 HG3 LYS 26 29.512 37.748 14.502
198 HD2 LYS 26 HD2 LYS 26 31.343 39.235 14.126
199 HD3 LYS 26 HD3 LYS 26 30.737 39.566 15.740
200 HE2 LYS 26 HE2 LYS 26 33.118 39.600 15.872
201 HE3 LYS 26 HE3 LYS 26 32.604 38.119 16.670
202 HZ1 LYS 26 HZ1 LYS 26 34.496 37.791 15.163
203 HZ2 LYS 26 HZ2 LYS 26 33.250 36.892 14.649
204 HZ3 LYS 26 HZ3 LYS 26 33.612 38.284 13.865
205 H ALA 27 H ALA 27 26.934 36.421 17.113
206 HA ALA 27 HA ALA 27 25.507 37.767 15.025
207 HB1 ALA 27 HB1 ALA 27 25.134 35.432 15.760
208 HB2 ALA 27 HB2 ALA 27 24.526 36.025 17.325
209 HB3 ALA 27 HB3 ALA 27 23.636 36.386 15.826
210 H GLU 28 H GLU 28 25.808 38.466 18.441
211 HA GLU 28 HA GLU 28 23.624 40.467 18.475
212 HB2 GLU 28 HB2 GLU 28 25.379 39.451 20.733
213 HB3 GLU 28 HB3 GLU 28 23.895 40.384 20.872
214 HG2 GLU 28 HG2 GLU 28 23.903 37.615 19.691
215 HG3 GLU 28 HG3 GLU 28 23.789 37.907 21.396
216 H ASP 29 H ASP 29 26.521 40.588 17.257
217 HA ASP 29 HA ASP 29 28.146 41.955 16.839
218 HB2 ASP 29 HB2 ASP 29 27.964 44.260 16.774
219 HB3 ASP 29 HB3 ASP 29 26.417 43.572 16.354
220 H LYS 30 H LYS 30 28.058 40.595 19.500
221 HA LYS 30 HA LYS 30 30.015 42.262 21.000
222 HB2 LYS 30 HB2 LYS 30 28.342 39.918 21.982
223 HB3 LYS 30 HB3 LYS 30 29.433 40.920 22.949
224 HG2 LYS 30 HG2 LYS 30 26.883 41.828 21.615
225 HG3 LYS 30 HG3 LYS 30 27.085 41.471 23.331
226 HD2 LYS 30 HD2 LYS 30 28.689 43.285 23.597
227 HD3 LYS 30 HD3 LYS 30 28.633 43.672 21.865
228 HE2 LYS 30 HE2 LYS 30 26.278 43.857 23.779
229 HE3 LYS 30 HE3 LYS 30 27.226 45.216 23.167
230 HZ1 LYS 30 HZ1 LYS 30 25.227 44.916 21.884
231 HZ2 LYS 30 HZ2 LYS 30 26.531 44.545 20.898
232 HZ3 LYS 30 HZ3 LYS 30 25.600 43.364 21.522
233 H GLU 31 H GLU 31 31.769 41.182 22.113
234 HA GLU 31 HA GLU 31 33.003 38.842 20.770
235 HB2 GLU 31 HB2 GLU 31 33.732 40.263 23.367
236 HB3 GLU 31 HB3 GLU 31 34.684 39.011 22.605
237 HG2 GLU 31 HG2 GLU 31 34.102 41.631 21.164
238 HG3 GLU 31 HG3 GLU 31 35.441 41.426 22.277
239 H GLY 32 H GLY 32 33.337 36.782 21.958
240 HA2 GLY 32 HA2 GLY 32 31.548 36.355 24.320
241 HA3 GLY 32 HA3 GLY 32 31.537 35.225 22.982
242 H ILE 33 H ILE 33 32.543 35.445 26.007
243 HA ILE 33 HA ILE 33 34.859 33.683 25.614
244 HB ILE 33 HB ILE 33 35.897 34.889 27.695
245 HG12 ILE 33 HG12 ILE 33 35.854 37.352 27.471
246 HG13 ILE 33 HG13 ILE 33 34.535 37.243 26.312
247 HG21 ILE 33 HG21 ILE 33 36.142 35.948 24.854
248 HG22 ILE 33 HG22 ILE 33 37.350 36.123 26.135
249 HG23 ILE 33 HG23 ILE 33 36.968 34.514 25.513
250 HD11 ILE 33 HD11 ILE 33 33.848 37.871 28.647
251 HD12 ILE 33 HD12 ILE 33 33.033 36.420 28.051
252 HD13 ILE 33 HD13 ILE 33 34.385 36.265 29.193
253 H CYS 34 H CYS 34 35.098 32.090 27.081
254 HA CYS 34 HA CYS 34 32.579 31.512 28.439
255 HB2 CYS 34 HB2 CYS 34 34.889 29.608 28.179
256 HB3 CYS 34 HB3 CYS 34 33.153 29.258 28.211
257 H HIS 35 H HIS 35 32.239 31.953 30.469
258 HA HIS 35 HA HIS 35 34.445 31.897 32.498
259 HB2 HIS 35 HB2 HIS 35 31.709 33.170 32.450
260 HB3 HIS 35 HB3 HIS 35 32.537 32.829 33.976
261 HD2 HIS 35 HD2 HIS 35 32.923 35.043 30.837
262 HE1 HIS 35 HE1 HIS 35 35.951 36.225 33.590
263 HE2 HIS 35 HE2 HIS 35 34.811 36.826 31.420
264 H GLY 36 H GLY 36 34.830 29.992 33.393
265 HA2 GLY 36 HA2 GLY 36 34.496 27.945 34.448
266 HA3 GLY 36 HA3 GLY 36 32.894 28.523 34.912
267 H THR 37 H THR 37 31.372 27.091 34.277
268 HA THR 37 HA THR 37 31.598 25.546 31.749
269 HB THR 37 HB THR 37 29.605 24.343 32.547
270 HG1 THR 37 HG1 THR 37 28.617 24.860 34.252
271 HG21 THR 37 HG21 THR 37 31.825 23.444 33.091
272 HG22 THR 37 HG22 THR 37 31.832 24.372 34.609
273 HG23 THR 37 HG23 THR 37 30.633 23.090 34.338
274 H LYS 38 H LYS 38 30.714 28.600 32.180
275 HA LYS 38 HA LYS 38 28.259 28.454 30.478
276 HB2 LYS 38 HB2 LYS 38 28.984 30.599 32.506
277 HB3 LYS 38 HB3 LYS 38 27.489 30.484 31.592
278 HG2 LYS 38 HG2 LYS 38 28.394 28.525 33.758
279 HG3 LYS 38 HG3 LYS 38 27.205 29.812 33.944
280 HD2 LYS 38 HD2 LYS 38 25.720 28.751 32.306
281 HD3 LYS 38 HD3 LYS 38 26.933 27.513 31.968
282 HE2 LYS 38 HE2 LYS 38 25.147 26.643 33.387
283 HE3 LYS 38 HE3 LYS 38 26.727 26.558 34.170
284 HZ1 LYS 38 HZ1 LYS 38 26.170 28.350 35.569
285 HZ2 LYS 38 HZ2 LYS 38 24.789 28.743 34.714
286 HZ3 LYS 38 HZ3 LYS 38 24.865 27.365 35.588
287 H CYS 39 H CYS 39 27.876 30.228 29.086
288 HA CYS 39 HA CYS 39 30.365 31.487 27.998
289 HB2 CYS 39 HB2 CYS 39 29.223 30.163 26.400
290 HB3 CYS 39 HB3 CYS 39 27.663 30.883 26.808
291 H LYS 40 H LYS 40 30.499 33.725 27.721
292 HA LYS 40 HA LYS 40 28.288 35.463 28.681
293 HB2 LYS 40 HB2 LYS 40 30.037 34.867 30.537
294 HB3 LYS 40 HB3 LYS 40 31.180 35.804 29.568
295 HG2 LYS 40 HG2 LYS 40 29.501 37.756 29.755
296 HG3 LYS 40 HG3 LYS 40 28.611 36.735 30.890
297 HD2 LYS 40 HD2 LYS 40 29.949 38.158 32.244
298 HD3 LYS 40 HD3 LYS 40 30.742 36.584 32.270
299 HE2 LYS 40 HE2 LYS 40 32.512 38.103 31.979
300 HE3 LYS 40 HE3 LYS 40 32.244 37.476 30.352
301 HZ1 LYS 40 HZ1 LYS 40 30.940 39.535 29.898
302 HZ2 LYS 40 HZ2 LYS 40 31.249 40.047 31.437
303 HZ3 LYS 40 HZ3 LYS 40 32.473 39.892 30.372
304 H CYS 41 H CYS 41 28.266 37.512 27.553
305 HA CYS 41 HA CYS 41 30.267 37.723 25.397
306 HB2 CYS 41 HB2 CYS 41 28.013 39.640 25.947
307 HB3 CYS 41 HB3 CYS 41 29.117 39.645 24.604
308 H GLY 42 H GLY 42 31.472 39.608 25.032
309 HA2 GLY 42 HA2 GLY 42 32.619 40.831 27.518
310 HA3 GLY 42 HA3 GLY 42 33.434 40.673 25.959
311 H VAL 43 H VAL 43 33.174 42.207 24.454
312 HA VAL 43 HA VAL 43 31.556 44.616 25.025
313 HB VAL 43 HB VAL 43 33.509 45.929 24.222
314 HG11 VAL 43 HG11 VAL 43 33.283 45.466 26.651
315 HG12 VAL 43 HG12 VAL 43 34.375 44.075 26.464
316 HG13 VAL 43 HG13 VAL 43 34.953 45.717 26.125
317 HG21 VAL 43 HG21 VAL 43 35.694 44.929 23.874
318 HG22 VAL 43 HG22 VAL 43 35.043 43.301 24.135
319 HG23 VAL 43 HG23 VAL 43 34.543 44.259 22.719
320 HA PRO 44 HA PRO 44 30.386 44.691 20.667
321 HB2 PRO 44 HB2 PRO 44 31.664 47.424 20.558
322 HB3 PRO 44 HB3 PRO 44 30.068 46.905 19.941
323 HG2 PRO 44 HG2 PRO 44 30.260 48.273 22.276
324 HG3 PRO 44 HG3 PRO 44 29.127 46.894 22.120
325 HD2 PRO 44 HD2 PRO 44 31.832 46.931 23.472
326 HD3 PRO 44 HD3 PRO 44 30.314 46.126 23.950
327 H ILE 45 H ILE 45 31.382 43.865 18.876
328 HA ILE 45 HA ILE 45 34.268 43.503 18.799
329 HB ILE 45 HB ILE 45 33.891 42.232 16.785
330 HG12 ILE 45 HG12 ILE 45 31.262 42.010 16.171
331 HG13 ILE 45 HG13 ILE 45 31.243 43.673 16.661
332 HG21 ILE 45 HG21 ILE 45 32.407 40.522 17.657
333 HG22 ILE 45 HG22 ILE 45 33.324 41.234 18.986
334 HG23 ILE 45 HG23 ILE 45 31.629 41.694 18.723
335 HD11 ILE 45 HD11 ILE 45 33.035 42.461 14.498
336 HD12 ILE 45 HD12 ILE 45 31.563 43.429 14.234
337 HD13 ILE 45 HD13 ILE 45 32.987 44.179 14.946
338 H SER 46 H SER 46 32.165 45.898 17.504
339 HA SER 46 HA SER 46 34.048 46.930 15.506
340 HB2 SER 46 HB2 SER 46 31.480 48.159 16.581
341 HB3 SER 46 HB3 SER 46 32.356 48.546 15.089
342 HG SER 46 HG SER 46 30.886 46.258 15.773
343 H TYR 47 H TYR 47 35.801 47.067 17.066
344 HA TYR 47 HA TYR 47 35.826 48.425 19.448
345 HB2 TYR 47 HB2 TYR 47 38.219 48.428 17.583
346 HB3 TYR 47 HB3 TYR 47 38.201 48.337 19.340
347 HD1 TYR 47 HD1 TYR 47 36.869 46.207 20.326
348 HD2 TYR 47 HD2 TYR 47 38.564 46.454 16.372
349 HE1 TYR 47 HE1 TYR 47 36.795 43.734 20.144
350 HE2 TYR 47 HE2 TYR 47 38.519 43.972 16.201
351 HH TYR 47 HH TYR 47 37.219 41.910 18.839
352 H LEU 48 H LEU 48 36.292 49.943 16.277
353 HA LEU 48 HA LEU 48 36.500 52.674 17.446
354 HB2 LEU 48 HB2 LEU 48 38.488 52.055 16.198
355 HB3 LEU 48 HB3 LEU 48 37.527 51.352 14.900
356 HG LEU 48 HG LEU 48 36.675 53.611 14.312
357 HD11 LEU 48 HD11 LEU 48 37.915 55.585 15.159
358 HD12 LEU 48 HD12 LEU 48 37.038 54.755 16.459
359 HD13 LEU 48 HD13 LEU 48 38.794 54.536 16.294
360 HD21 LEU 48 HD21 LEU 48 38.773 54.368 13.256
361 HD22 LEU 48 HD22 LEU 48 39.690 53.250 14.289
362 HD23 LEU 48 HD23 LEU 48 38.531 52.622 13.092
Start of MODEL 10
1 H1 VAL 1 H1 VAL 1 19.103 18.777 29.219
2 H2 VAL 1 H2 VAL 1 19.393 19.304 30.740
3 H3 VAL 1 H3 VAL 1 18.031 18.429 30.386
4 HA VAL 1 HA VAL 1 19.745 17.123 31.542
5 HB VAL 1 HB VAL 1 19.072 16.214 28.737
6 HG11 VAL 1 HG11 VAL 1 20.962 14.855 29.585
7 HG12 VAL 1 HG12 VAL 1 20.077 14.569 31.102
8 HG13 VAL 1 HG13 VAL 1 19.469 13.925 29.567
9 HG21 VAL 1 HG21 VAL 1 17.344 14.883 29.941
10 HG22 VAL 1 HG22 VAL 1 17.807 15.660 31.466
11 HG23 VAL 1 HG23 VAL 1 17.080 16.603 30.152
12 H HIS 2 H HIS 2 20.881 17.709 28.259
13 HA HIS 2 HA HIS 2 23.533 16.803 29.097
14 HB2 HIS 2 HB2 HIS 2 24.160 16.718 26.814
15 HB3 HIS 2 HB3 HIS 2 22.602 15.954 27.052
16 HD2 HIS 2 HD2 HIS 2 21.971 19.622 26.827
17 HE1 HIS 2 HE1 HIS 2 21.631 18.236 22.833
18 HE2 HIS 2 HE2 HIS 2 21.142 20.158 24.404
19 H LYS 3 H LYS 3 23.303 18.898 30.578
20 HA LYS 3 HA LYS 3 24.680 21.230 29.526
21 HB2 LYS 3 HB2 LYS 3 24.877 21.851 31.999
22 HB3 LYS 3 HB3 LYS 3 23.315 21.788 31.222
23 HG2 LYS 3 HG2 LYS 3 23.238 20.843 33.493
24 HG3 LYS 3 HG3 LYS 3 22.723 19.722 32.252
25 HD2 LYS 3 HD2 LYS 3 23.987 18.427 33.731
26 HD3 LYS 3 HD3 LYS 3 25.065 18.690 32.355
27 HE2 LYS 3 HE2 LYS 3 26.200 20.526 33.625
28 HE3 LYS 3 HE3 LYS 3 25.056 20.287 34.949
29 HZ1 LYS 3 HZ1 LYS 3 26.953 19.077 35.568
30 HZ2 LYS 3 HZ2 LYS 3 25.932 17.936 35.046
31 HZ3 LYS 3 HZ3 LYS 3 27.184 18.393 34.087
32 H MET 4 H MET 4 26.075 19.300 28.616
33 HA MET 4 HA MET 4 28.682 19.138 30.041
34 HB2 MET 4 HB2 MET 4 27.302 16.845 28.562
35 HB3 MET 4 HB3 MET 4 28.807 16.787 29.498
36 HG2 MET 4 HG2 MET 4 27.445 17.402 31.532
37 HG3 MET 4 HG3 MET 4 25.991 17.263 30.554
38 HE1 MET 4 HE1 MET 4 26.384 15.748 33.309
39 HE2 MET 4 HE2 MET 4 24.913 15.676 32.314
40 HE3 MET 4 HE3 MET 4 25.671 14.178 32.892
41 H ALA 5 H ALA 5 29.020 20.978 28.626
42 HA ALA 5 HA ALA 5 29.435 22.173 26.805
43 HB1 ALA 5 HB1 ALA 5 31.137 21.349 25.338
44 HB2 ALA 5 HB2 ALA 5 31.449 20.800 26.992
45 HB3 ALA 5 HB3 ALA 5 30.774 19.667 25.792
46 H LYS 6 H LYS 6 26.773 20.705 26.623
47 HA LYS 6 HA LYS 6 26.334 21.267 23.709
48 HB2 LYS 6 HB2 LYS 6 25.081 19.068 25.372
49 HB3 LYS 6 HB3 LYS 6 24.567 19.517 23.751
50 HG2 LYS 6 HG2 LYS 6 26.710 18.886 22.814
51 HG3 LYS 6 HG3 LYS 6 27.385 18.569 24.423
52 HD2 LYS 6 HD2 LYS 6 25.699 16.799 24.798
53 HD3 LYS 6 HD3 LYS 6 25.060 17.041 23.164
54 HE2 LYS 6 HE2 LYS 6 27.976 16.360 23.768
55 HE3 LYS 6 HE3 LYS 6 26.740 15.127 23.496
56 HZ1 LYS 6 HZ1 LYS 6 27.975 15.702 21.468
57 HZ2 LYS 6 HZ2 LYS 6 26.363 16.012 21.301
58 HZ3 LYS 6 HZ3 LYS 6 27.437 17.231 21.506
59 H ASN 7 H ASN 7 25.915 22.672 26.483
60 HA ASN 7 HA ASN 7 23.437 24.058 25.597
61 HB2 ASN 7 HB2 ASN 7 24.242 23.315 28.455
62 HB3 ASN 7 HB3 ASN 7 23.015 24.524 28.068
63 HD21 ASN 7 HD21 ASN 7 20.831 21.959 26.618
64 HD22 ASN 7 HD22 ASN 7 21.437 23.564 26.182
65 H GLN 8 H GLN 8 26.649 24.257 26.896
66 HA GLN 8 HA GLN 8 26.570 27.185 27.122
67 HB2 GLN 8 HB2 GLN 8 28.837 26.892 28.151
68 HB3 GLN 8 HB3 GLN 8 27.473 26.259 29.010
69 HG2 GLN 8 HG2 GLN 8 29.023 24.396 27.164
70 HG3 GLN 8 HG3 GLN 8 29.700 24.840 28.735
71 HE21 GLN 8 HE21 GLN 8 26.970 23.600 30.633
72 HE22 GLN 8 HE22 GLN 8 28.280 24.747 30.586
73 H PHE 9 H PHE 9 26.337 25.996 24.493
74 HA PHE 9 HA PHE 9 27.080 26.361 22.392
75 HB2 PHE 9 HB2 PHE 9 28.836 28.500 23.621
76 HB3 PHE 9 HB3 PHE 9 28.303 28.428 21.955
77 HD1 PHE 9 HD1 PHE 9 25.957 28.736 21.253
78 HD2 PHE 9 HD2 PHE 9 27.143 29.189 25.371
79 HE1 PHE 9 HE1 PHE 9 23.778 29.827 21.758
80 HE2 PHE 9 HE2 PHE 9 24.969 30.279 25.898
81 HZ PHE 9 HZ PHE 9 23.292 30.588 24.080
82 H GLY 10 H GLY 10 28.677 24.575 24.248
83 HA2 GLY 10 HA2 GLY 10 30.322 22.959 23.746
84 HA3 GLY 10 HA3 GLY 10 30.921 23.977 22.430
85 H CYS 11 H CYS 11 30.758 26.039 25.172
86 HA CYS 11 HA CYS 11 33.681 25.861 25.186
87 HB2 CYS 11 HB2 CYS 11 33.797 28.033 25.437
88 HB3 CYS 11 HB3 CYS 11 32.375 27.903 24.447
89 H PHE 12 H PHE 12 34.832 25.605 27.114
90 HA PHE 12 HA PHE 12 33.498 25.900 29.616
91 HB2 PHE 12 HB2 PHE 12 33.364 23.764 30.470
92 HB3 PHE 12 HB3 PHE 12 32.725 23.576 28.860
93 HD1 PHE 12 HD1 PHE 12 34.828 22.186 31.285
94 HD2 PHE 12 HD2 PHE 12 34.650 22.851 27.024
95 HE1 PHE 12 HE1 PHE 12 36.437 20.357 30.943
96 HE2 PHE 12 HE2 PHE 12 36.283 21.013 26.679
97 HZ PHE 12 HZ PHE 12 37.192 19.765 28.632
98 H ALA 13 H ALA 13 34.956 25.185 31.530
99 HA ALA 13 HA ALA 13 36.776 25.672 32.719
100 HB1 ALA 13 HB1 ALA 13 38.250 24.143 30.569
101 HB2 ALA 13 HB2 ALA 13 38.734 24.374 32.260
102 HB3 ALA 13 HB3 ALA 13 37.292 23.412 31.884
103 H ASN 14 H ASN 14 36.018 27.792 31.179
104 HA ASN 14 HA ASN 14 36.609 29.805 30.357
105 HB2 ASN 14 HB2 ASN 14 39.053 29.324 32.089
106 HB3 ASN 14 HB3 ASN 14 38.748 30.832 31.256
107 HD21 ASN 14 HD21 ASN 14 37.205 32.259 32.012
108 HD22 ASN 14 HD22 ASN 14 36.513 32.080 33.617
109 H VAL 15 H VAL 15 36.934 27.764 28.480
110 HA VAL 15 HA VAL 15 38.918 29.078 26.713
111 HB VAL 15 HB VAL 15 38.337 26.109 26.479
112 HG11 VAL 15 HG11 VAL 15 40.637 27.908 25.578
113 HG12 VAL 15 HG12 VAL 15 40.569 26.152 25.339
114 HG13 VAL 15 HG13 VAL 15 39.397 27.173 24.533
115 HG21 VAL 15 HG21 VAL 15 40.603 27.341 28.104
116 HG22 VAL 15 HG22 VAL 15 39.327 26.247 28.695
117 HG23 VAL 15 HG23 VAL 15 40.539 25.644 27.577
118 H ASP 16 H ASP 16 38.258 28.621 24.384
119 HA ASP 16 HA ASP 16 35.314 28.578 24.002
120 HB2 ASP 16 HB2 ASP 16 37.470 30.203 22.639
121 HB3 ASP 16 HB3 ASP 16 36.117 29.605 21.680
122 H VAL 17 H VAL 17 34.694 26.790 23.255
123 HA VAL 17 HA VAL 17 36.602 24.956 21.904
124 HB VAL 17 HB VAL 17 35.054 24.226 24.386
125 HG11 VAL 17 HG11 VAL 17 37.552 23.077 23.092
126 HG12 VAL 17 HG12 VAL 17 36.777 22.460 24.565
127 HG13 VAL 17 HG13 VAL 17 35.924 22.374 23.045
128 HG21 VAL 17 HG21 VAL 17 36.468 25.897 25.264
129 HG22 VAL 17 HG22 VAL 17 37.140 24.343 25.694
130 HG23 VAL 17 HG23 VAL 17 37.883 25.263 24.362
131 H LYS 18 H LYS 18 35.609 23.079 21.085
132 HA LYS 18 HA LYS 18 34.303 22.997 19.067
133 HB2 LYS 18 HB2 LYS 18 33.036 20.877 19.521
134 HB3 LYS 18 HB3 LYS 18 34.747 20.934 19.783
135 HG2 LYS 18 HG2 LYS 18 33.788 19.588 21.495
136 HG3 LYS 18 HG3 LYS 18 34.475 21.026 22.212
137 HD2 LYS 18 HD2 LYS 18 32.408 20.559 23.331
138 HD3 LYS 18 HD3 LYS 18 32.202 22.018 22.359
139 HE2 LYS 18 HE2 LYS 18 31.460 20.146 20.530
140 HE3 LYS 18 HE3 LYS 18 31.038 19.252 21.994
141 HZ1 LYS 18 HZ1 LYS 18 29.611 21.156 22.607
142 HZ2 LYS 18 HZ2 LYS 18 30.104 21.955 21.228
143 HZ3 LYS 18 HZ3 LYS 18 29.214 20.595 21.115
144 H GLY 19 H GLY 19 33.391 25.058 18.999
145 HA2 GLY 19 HA2 GLY 19 31.096 25.346 17.716
146 HA3 GLY 19 HA3 GLY 19 30.434 25.117 19.346
147 H ASP 20 H ASP 20 32.546 26.464 20.678
148 HA ASP 20 HA ASP 20 33.047 28.324 21.642
149 HB2 ASP 20 HB2 ASP 20 33.954 30.210 20.335
150 HB3 ASP 20 HB3 ASP 20 34.658 28.615 20.091
151 H CYS 21 H CYS 21 32.696 30.223 22.534
152 HA CYS 21 HA CYS 21 29.919 31.148 22.592
153 HB2 CYS 21 HB2 CYS 21 31.386 30.773 24.624
154 HB3 CYS 21 HB3 CYS 21 32.481 32.003 23.992
155 H LYS 22 H LYS 22 33.103 32.160 21.417
156 HA LYS 22 HA LYS 22 32.717 34.809 20.672
157 HB2 LYS 22 HB2 LYS 22 34.806 33.439 20.364
158 HB3 LYS 22 HB3 LYS 22 34.051 32.647 18.989
159 HG2 LYS 22 HG2 LYS 22 35.424 34.303 18.036
160 HG3 LYS 22 HG3 LYS 22 33.801 34.946 17.902
161 HD2 LYS 22 HD2 LYS 22 35.112 36.766 18.583
162 HD3 LYS 22 HD3 LYS 22 34.300 36.279 20.069
163 HE2 LYS 22 HE2 LYS 22 36.389 34.912 20.642
164 HE3 LYS 22 HE3 LYS 22 37.132 35.555 19.180
165 HZ1 LYS 22 HZ1 LYS 22 36.649 37.835 20.233
166 HZ2 LYS 22 HZ2 LYS 22 36.466 37.056 21.647
167 HZ3 LYS 22 HZ3 LYS 22 37.886 36.923 20.880
168 H ARG 23 H ARG 23 31.792 32.020 18.457
169 HA ARG 23 HA ARG 23 30.340 33.686 16.665
170 HB2 ARG 23 HB2 ARG 23 30.400 30.722 17.324
171 HB3 ARG 23 HB3 ARG 23 29.185 31.350 16.190
172 HG2 ARG 23 HG2 ARG 23 30.904 32.415 14.832
173 HG3 ARG 23 HG3 ARG 23 32.167 31.852 15.918
174 HD2 ARG 23 HD2 ARG 23 30.235 30.030 14.456
175 HD3 ARG 23 HD3 ARG 23 31.816 30.546 13.822
176 HE ARG 23 HE ARG 23 32.308 29.405 16.341
177 HH11 ARG 23 HH11 ARG 23 31.128 28.258 13.185
178 HH12 ARG 23 HH12 ARG 23 31.833 26.689 13.420
179 HH21 ARG 23 HH21 ARG 23 33.264 27.464 16.448
180 HH22 ARG 23 HH22 ARG 23 32.989 26.226 15.198
181 H HIS 24 H HIS 24 29.119 32.190 19.647
182 HA HIS 24 HA HIS 24 26.337 32.750 19.051
183 HB2 HIS 24 HB2 HIS 24 26.786 31.184 20.764
184 HB3 HIS 24 HB3 HIS 24 27.874 32.280 21.621
185 HD2 HIS 24 HD2 HIS 24 26.894 33.618 23.521
186 HE1 HIS 24 HE1 HIS 24 22.776 33.648 22.420
187 HE2 HIS 24 HE2 HIS 24 24.439 34.433 24.154
188 H CYS 25 H CYS 25 28.756 34.608 20.971
189 HA CYS 25 HA CYS 25 26.981 36.853 21.319
190 HB2 CYS 25 HB2 CYS 25 29.941 36.407 21.654
191 HB3 CYS 25 HB3 CYS 25 29.206 37.970 21.974
192 H LYS 26 H LYS 26 29.238 36.051 18.692
193 HA LYS 26 HA LYS 26 29.344 38.561 17.404
194 HB2 LYS 26 HB2 LYS 26 30.655 36.449 16.863
195 HB3 LYS 26 HB3 LYS 26 29.218 35.831 16.057
196 HG2 LYS 26 HG2 LYS 26 30.782 36.686 14.449
197 HG3 LYS 26 HG3 LYS 26 29.347 37.695 14.422
198 HD2 LYS 26 HD2 LYS 26 31.383 38.730 16.299
199 HD3 LYS 26 HD3 LYS 26 32.063 38.504 14.700
200 HE2 LYS 26 HE2 LYS 26 29.432 39.972 15.126
201 HE3 LYS 26 HE3 LYS 26 30.996 40.788 15.266
202 HZ1 LYS 26 HZ1 LYS 26 30.141 41.016 13.033
203 HZ2 LYS 26 HZ2 LYS 26 31.505 40.135 12.981
204 HZ3 LYS 26 HZ3 LYS 26 30.075 39.380 12.809
205 H ALA 27 H ALA 27 26.593 36.349 17.675
206 HA ALA 27 HA ALA 27 25.066 37.413 15.462
207 HB1 ALA 27 HB1 ALA 27 24.137 35.983 17.987
208 HB2 ALA 27 HB2 ALA 27 23.223 36.178 16.485
209 HB3 ALA 27 HB3 ALA 27 24.688 35.177 16.502
210 H GLU 28 H GLU 28 25.579 38.419 18.803
211 HA GLU 28 HA GLU 28 23.550 40.585 18.629
212 HB2 GLU 28 HB2 GLU 28 25.301 39.941 21.015
213 HB3 GLU 28 HB3 GLU 28 23.822 40.897 20.926
214 HG2 GLU 28 HG2 GLU 28 22.814 38.528 20.116
215 HG3 GLU 28 HG3 GLU 28 24.178 37.923 21.044
216 H ASP 29 H ASP 29 26.378 40.288 17.311
217 HA ASP 29 HA ASP 29 28.210 41.377 16.802
218 HB2 ASP 29 HB2 ASP 29 26.375 43.004 16.079
219 HB3 ASP 29 HB3 ASP 29 26.914 44.028 17.412
220 H LYS 30 H LYS 30 28.082 40.438 19.463
221 HA LYS 30 HA LYS 30 29.944 42.276 20.910
222 HB2 LYS 30 HB2 LYS 30 28.331 39.919 21.957
223 HB3 LYS 30 HB3 LYS 30 29.393 40.960 22.909
224 HG2 LYS 30 HG2 LYS 30 26.847 41.837 21.526
225 HG3 LYS 30 HG3 LYS 30 26.987 41.404 23.226
226 HD2 LYS 30 HD2 LYS 30 28.517 43.232 23.670
227 HD3 LYS 30 HD3 LYS 30 28.573 43.681 21.956
228 HE2 LYS 30 HE2 LYS 30 26.036 43.683 23.645
229 HE3 LYS 30 HE3 LYS 30 27.026 45.116 23.306
230 HZ1 LYS 30 HZ1 LYS 30 25.180 44.926 21.761
231 HZ2 LYS 30 HZ2 LYS 30 26.621 44.784 20.957
232 HZ3 LYS 30 HZ3 LYS 30 25.727 43.454 21.220
233 H GLU 31 H GLU 31 31.693 41.263 22.076
234 HA GLU 31 HA GLU 31 33.039 38.945 20.785
235 HB2 GLU 31 HB2 GLU 31 33.547 40.399 23.415
236 HB3 GLU 31 HB3 GLU 31 34.530 39.104 22.798
237 HG2 GLU 31 HG2 GLU 31 34.163 41.590 21.096
238 HG3 GLU 31 HG3 GLU 31 35.301 41.550 22.436
239 H GLY 32 H GLY 32 33.225 36.877 21.822
240 HA2 GLY 32 HA2 GLY 32 31.512 36.396 24.226
241 HA3 GLY 32 HA3 GLY 32 31.515 35.239 22.909
242 H ILE 33 H ILE 33 32.534 35.418 25.860
243 HA ILE 33 HA ILE 33 34.896 33.767 25.377
244 HB ILE 33 HB ILE 33 35.882 34.902 27.561
245 HG12 ILE 33 HG12 ILE 33 35.894 37.370 27.376
246 HG13 ILE 33 HG13 ILE 33 34.604 37.297 26.175
247 HG21 ILE 33 HG21 ILE 33 36.316 35.999 24.764
248 HG22 ILE 33 HG22 ILE 33 37.446 36.116 26.125
249 HG23 ILE 33 HG23 ILE 33 37.057 34.533 25.446
250 HD11 ILE 33 HD11 ILE 33 33.056 36.421 27.875
251 HD12 ILE 33 HD12 ILE 33 34.400 36.268 29.032
252 HD13 ILE 33 HD13 ILE 33 33.849 37.875 28.501
253 H CYS 34 H CYS 34 35.260 32.213 26.959
254 HA CYS 34 HA CYS 34 32.749 31.489 28.284
255 HB2 CYS 34 HB2 CYS 34 34.419 30.044 26.827
256 HB3 CYS 34 HB3 CYS 34 35.220 29.804 28.368
257 H HIS 35 H HIS 35 32.325 31.854 30.289
258 HA HIS 35 HA HIS 35 34.444 32.285 32.376
259 HB2 HIS 35 HB2 HIS 35 31.494 32.971 32.251
260 HB3 HIS 35 HB3 HIS 35 32.393 32.933 33.762
261 HD2 HIS 35 HD2 HIS 35 32.829 34.746 30.300
262 HE1 HIS 35 HE1 HIS 35 34.024 37.418 33.401
263 HE2 HIS 35 HE2 HIS 35 33.640 37.183 30.897
264 H GLY 36 H GLY 36 35.117 30.276 33.044
265 HA2 GLY 36 HA2 GLY 36 35.042 28.116 33.864
266 HA3 GLY 36 HA3 GLY 36 33.462 28.524 34.541
267 H THR 37 H THR 37 31.976 27.119 33.918
268 HA THR 37 HA THR 37 31.954 25.705 31.339
269 HB THR 37 HB THR 37 29.724 24.823 32.705
270 HG1 THR 37 HG1 THR 37 29.903 25.724 34.632
271 HG21 THR 37 HG21 THR 37 31.391 23.366 31.798
272 HG22 THR 37 HG22 THR 37 32.600 23.910 32.984
273 HG23 THR 37 HG23 THR 37 31.174 22.984 33.512
274 H LYS 38 H LYS 38 31.119 28.736 31.783
275 HA LYS 38 HA LYS 38 28.492 28.588 30.361
276 HB2 LYS 38 HB2 LYS 38 29.370 30.633 32.447
277 HB3 LYS 38 HB3 LYS 38 27.787 30.520 31.691
278 HG2 LYS 38 HG2 LYS 38 29.020 28.454 33.575
279 HG3 LYS 38 HG3 LYS 38 27.821 29.652 34.023
280 HD2 LYS 38 HD2 LYS 38 27.253 27.625 31.847
281 HD3 LYS 38 HD3 LYS 38 27.011 27.264 33.554
282 HE2 LYS 38 HE2 LYS 38 25.437 29.050 33.842
283 HE3 LYS 38 HE3 LYS 38 25.803 29.724 32.241
284 HZ1 LYS 38 HZ1 LYS 38 24.621 27.031 32.610
285 HZ2 LYS 38 HZ2 LYS 38 23.737 28.387 32.349
286 HZ3 LYS 38 HZ3 LYS 38 24.795 27.882 31.204
287 H CYS 39 H CYS 39 28.020 30.061 28.811
288 HA CYS 39 HA CYS 39 30.299 31.618 27.692
289 HB2 CYS 39 HB2 CYS 39 29.108 30.208 26.173
290 HB3 CYS 39 HB3 CYS 39 27.559 30.879 26.688
291 H LYS 40 H LYS 40 30.492 33.768 27.870
292 HA LYS 40 HA LYS 40 28.103 35.462 28.430
293 HB2 LYS 40 HB2 LYS 40 30.768 35.517 29.877
294 HB3 LYS 40 HB3 LYS 40 29.757 36.951 29.737
295 HG2 LYS 40 HG2 LYS 40 27.916 35.865 30.913
296 HG3 LYS 40 HG3 LYS 40 28.798 34.343 30.982
297 HD2 LYS 40 HD2 LYS 40 28.789 35.724 33.125
298 HD3 LYS 40 HD3 LYS 40 30.337 35.132 32.561
299 HE2 LYS 40 HE2 LYS 40 30.683 37.360 33.329
300 HE3 LYS 40 HE3 LYS 40 30.845 37.373 31.575
301 HZ1 LYS 40 HZ1 LYS 40 28.531 38.297 33.170
302 HZ2 LYS 40 HZ2 LYS 40 29.487 39.234 32.246
303 HZ3 LYS 40 HZ3 LYS 40 28.461 38.178 31.530
304 H CYS 41 H CYS 41 28.164 37.497 27.450
305 HA CYS 41 HA CYS 41 30.203 37.754 25.345
306 HB2 CYS 41 HB2 CYS 41 27.925 39.647 25.886
307 HB3 CYS 41 HB3 CYS 41 29.015 39.635 24.528
308 H GLY 42 H GLY 42 31.434 39.631 25.000
309 HA2 GLY 42 HA2 GLY 42 32.590 40.728 27.523
310 HA3 GLY 42 HA3 GLY 42 33.383 40.674 25.949
311 H VAL 43 H VAL 43 32.919 42.225 24.420
312 HA VAL 43 HA VAL 43 31.344 44.622 25.124
313 HB VAL 43 HB VAL 43 33.287 45.958 24.241
314 HG11 VAL 43 HG11 VAL 43 34.776 45.762 26.132
315 HG12 VAL 43 HG12 VAL 43 33.106 45.599 26.672
316 HG13 VAL 43 HG13 VAL 43 34.138 44.154 26.533
317 HG21 VAL 43 HG21 VAL 43 35.473 44.982 23.905
318 HG22 VAL 43 HG22 VAL 43 34.872 43.356 24.287
319 HG23 VAL 43 HG23 VAL 43 34.339 44.197 22.814
320 HA PRO 44 HA PRO 44 30.173 44.776 20.700
321 HB2 PRO 44 HB2 PRO 44 31.424 47.536 20.789
322 HB3 PRO 44 HB3 PRO 44 29.866 47.045 20.074
323 HG2 PRO 44 HG2 PRO 44 29.929 48.307 22.466
324 HG3 PRO 44 HG3 PRO 44 28.838 46.903 22.223
325 HD2 PRO 44 HD2 PRO 44 31.523 46.957 23.626
326 HD3 PRO 44 HD3 PRO 44 30.019 46.115 24.064
327 H ILE 45 H ILE 45 31.302 44.043 18.929
328 HA ILE 45 HA ILE 45 34.134 43.623 19.167
329 HB ILE 45 HB ILE 45 34.053 42.584 17.031
330 HG12 ILE 45 HG12 ILE 45 31.529 42.740 15.935
331 HG13 ILE 45 HG13 ILE 45 31.674 44.351 16.584
332 HG21 ILE 45 HG21 ILE 45 32.341 40.921 17.344
333 HG22 ILE 45 HG22 ILE 45 33.008 41.378 18.915
334 HG23 ILE 45 HG23 ILE 45 31.415 41.980 18.412
335 HD11 ILE 45 HD11 ILE 45 32.529 44.307 14.280
336 HD12 ILE 45 HD12 ILE 45 33.928 44.524 15.354
337 HD13 ILE 45 HD13 ILE 45 33.599 42.934 14.668
338 H SER 46 H SER 46 32.361 46.328 17.883
339 HA SER 46 HA SER 46 34.552 47.607 16.501
340 HB2 SER 46 HB2 SER 46 32.081 48.796 17.824
341 HB3 SER 46 HB3 SER 46 33.140 49.576 16.643
342 HG SER 46 HG SER 46 31.340 47.449 16.351
343 H TYR 47 H TYR 47 36.354 47.385 17.869
344 HA TYR 47 HA TYR 47 36.485 48.443 20.576
345 HB2 TYR 47 HB2 TYR 47 38.564 47.595 18.530
346 HB3 TYR 47 HB3 TYR 47 39.001 48.300 20.073
347 HD1 TYR 47 HD1 TYR 47 38.719 47.135 22.151
348 HD2 TYR 47 HD2 TYR 47 37.441 45.358 18.447
349 HE1 TYR 47 HE1 TYR 47 38.500 44.946 23.268
350 HE2 TYR 47 HE2 TYR 47 36.982 43.222 19.591
351 HH TYR 47 HH TYR 47 37.293 42.029 21.642
352 H LEU 48 H LEU 48 36.894 49.835 17.367
353 HA LEU 48 HA LEU 48 37.523 52.487 18.517
354 HB2 LEU 48 HB2 LEU 48 39.061 51.699 16.790
355 HB3 LEU 48 HB3 LEU 48 37.718 51.310 15.712
356 HG LEU 48 HG LEU 48 37.133 53.646 15.499
357 HD11 LEU 48 HD11 LEU 48 38.717 55.403 16.382
358 HD12 LEU 48 HD12 LEU 48 37.794 54.575 17.635
359 HD13 LEU 48 HD13 LEU 48 39.505 54.137 17.351
360 HD21 LEU 48 HD21 LEU 48 38.792 52.652 13.962
361 HD22 LEU 48 HD22 LEU 48 39.098 54.376 14.216
362 HD23 LEU 48 HD23 LEU 48 40.108 53.168 15.047
Start of MODEL 11
1 H1 VAL 1 H1 VAL 1 18.500 18.168 26.972
2 H2 VAL 1 H2 VAL 1 18.316 16.884 27.970
3 H3 VAL 1 H3 VAL 1 18.552 16.650 26.351
4 HA VAL 1 HA VAL 1 20.559 16.176 27.655
5 HB VAL 1 HB VAL 1 22.129 17.797 26.513
6 HG11 VAL 1 HG11 VAL 1 21.852 16.756 24.334
7 HG12 VAL 1 HG12 VAL 1 21.585 15.570 25.620
8 HG13 VAL 1 HG13 VAL 1 20.203 16.255 24.734
9 HG21 VAL 1 HG21 VAL 1 21.311 19.155 24.682
10 HG22 VAL 1 HG22 VAL 1 19.633 18.707 25.007
11 HG23 VAL 1 HG23 VAL 1 20.541 19.706 26.169
12 H HIS 2 H HIS 2 22.107 16.802 29.116
13 HA HIS 2 HA HIS 2 21.188 18.707 31.133
14 HB2 HIS 2 HB2 HIS 2 23.640 16.913 31.009
15 HB3 HIS 2 HB3 HIS 2 23.101 17.807 32.429
16 HD2 HIS 2 HD2 HIS 2 23.119 14.430 31.345
17 HE1 HIS 2 HE1 HIS 2 19.349 14.672 33.311
18 HE2 HIS 2 HE2 HIS 2 21.106 13.080 32.377
19 H LYS 3 H LYS 3 22.742 20.222 32.198
20 HA LYS 3 HA LYS 3 24.075 21.944 30.218
21 HB2 LYS 3 HB2 LYS 3 23.711 22.211 33.221
22 HB3 LYS 3 HB3 LYS 3 24.626 23.334 32.219
23 HG2 LYS 3 HG2 LYS 3 22.523 24.292 32.664
24 HG3 LYS 3 HG3 LYS 3 22.679 23.980 30.951
25 HD2 LYS 3 HD2 LYS 3 21.186 21.980 31.209
26 HD3 LYS 3 HD3 LYS 3 21.071 22.344 32.949
27 HE2 LYS 3 HE2 LYS 3 20.129 24.601 32.341
28 HE3 LYS 3 HE3 LYS 3 20.156 24.119 30.640
29 HZ1 LYS 3 HZ1 LYS 3 18.703 22.221 31.287
30 HZ2 LYS 3 HZ2 LYS 3 18.637 22.804 32.812
31 HZ3 LYS 3 HZ3 LYS 3 17.988 23.685 31.570
32 H MET 4 H MET 4 25.335 19.826 29.790
33 HA MET 4 HA MET 4 28.016 19.888 31.142
34 HB2 MET 4 HB2 MET 4 26.553 17.464 30.008
35 HB3 MET 4 HB3 MET 4 28.110 17.490 30.863
36 HG2 MET 4 HG2 MET 4 26.882 18.385 32.883
37 HG3 MET 4 HG3 MET 4 25.385 18.178 32.009
38 HE1 MET 4 HE1 MET 4 28.681 16.117 32.731
39 HE2 MET 4 HE2 MET 4 27.963 16.648 34.269
40 HE3 MET 4 HE3 MET 4 28.011 14.923 33.865
41 H ALA 5 H ALA 5 28.441 21.509 29.492
42 HA ALA 5 HA ALA 5 28.850 22.422 27.498
43 HB1 ALA 5 HB1 ALA 5 30.847 21.124 27.808
44 HB2 ALA 5 HB2 ALA 5 30.150 19.777 26.898
45 HB3 ALA 5 HB3 ALA 5 30.469 21.318 26.086
46 H LYS 6 H LYS 6 26.251 20.770 27.656
47 HA LYS 6 HA LYS 6 25.575 20.721 24.732
48 HB2 LYS 6 HB2 LYS 6 24.501 18.971 26.937
49 HB3 LYS 6 HB3 LYS 6 23.881 19.018 25.281
50 HG2 LYS 6 HG2 LYS 6 26.015 18.243 24.384
51 HG3 LYS 6 HG3 LYS 6 26.762 18.317 25.987
52 HD2 LYS 6 HD2 LYS 6 24.906 16.692 26.743
53 HD3 LYS 6 HD3 LYS 6 24.606 16.393 25.028
54 HE2 LYS 6 HE2 LYS 6 27.314 16.119 26.424
55 HE3 LYS 6 HE3 LYS 6 26.173 14.782 26.232
56 HZ1 LYS 6 HZ1 LYS 6 26.359 15.090 23.801
57 HZ2 LYS 6 HZ2 LYS 6 27.488 16.239 24.003
58 HZ3 LYS 6 HZ3 LYS 6 27.799 14.704 24.513
59 H ASN 7 H ASN 7 25.305 22.823 27.063
60 HA ASN 7 HA ASN 7 22.787 23.905 26.008
61 HB2 ASN 7 HB2 ASN 7 23.270 23.346 28.923
62 HB3 ASN 7 HB3 ASN 7 22.218 24.667 28.448
63 HD21 ASN 7 HD21 ASN 7 20.762 20.900 28.113
64 HD22 ASN 7 HD22 ASN 7 22.499 21.098 28.262
65 H GLN 8 H GLN 8 25.958 24.344 26.555
66 HA GLN 8 HA GLN 8 25.865 27.278 26.959
67 HB2 GLN 8 HB2 GLN 8 27.996 27.074 28.209
68 HB3 GLN 8 HB3 GLN 8 26.602 26.449 29.042
69 HG2 GLN 8 HG2 GLN 8 28.229 24.511 27.394
70 HG3 GLN 8 HG3 GLN 8 28.935 25.109 28.890
71 HE21 GLN 8 HE21 GLN 8 27.613 24.919 30.881
72 HE22 GLN 8 HE22 GLN 8 26.516 23.541 31.015
73 H PHE 9 H PHE 9 25.808 25.840 24.505
74 HA PHE 9 HA PHE 9 26.656 26.087 22.401
75 HB2 PHE 9 HB2 PHE 9 28.455 28.251 23.580
76 HB3 PHE 9 HB3 PHE 9 27.949 28.072 21.903
77 HD1 PHE 9 HD1 PHE 9 25.717 28.639 21.091
78 HD2 PHE 9 HD2 PHE 9 26.738 29.068 25.246
79 HE1 PHE 9 HE1 PHE 9 23.577 29.824 21.516
80 HE2 PHE 9 HE2 PHE 9 24.582 30.221 25.665
81 HZ PHE 9 HZ PHE 9 22.983 30.560 23.813
82 H GLY 10 H GLY 10 28.009 24.206 24.281
83 HA2 GLY 10 HA2 GLY 10 29.836 22.781 24.282
84 HA3 GLY 10 HA3 GLY 10 30.215 23.343 22.664
85 H CYS 11 H CYS 11 30.209 25.788 25.225
86 HA CYS 11 HA CYS 11 33.203 25.637 25.397
87 HB2 CYS 11 HB2 CYS 11 32.206 27.571 24.085
88 HB3 CYS 11 HB3 CYS 11 31.698 28.186 25.655
89 H PHE 12 H PHE 12 34.030 25.308 27.295
90 HA PHE 12 HA PHE 12 32.559 25.982 29.755
91 HB2 PHE 12 HB2 PHE 12 32.186 23.742 30.465
92 HB3 PHE 12 HB3 PHE 12 31.500 23.872 28.876
93 HD1 PHE 12 HD1 PHE 12 33.704 22.038 31.004
94 HD2 PHE 12 HD2 PHE 12 32.962 22.951 26.853
95 HE1 PHE 12 HE1 PHE 12 34.983 20.041 30.341
96 HE2 PHE 12 HE2 PHE 12 34.225 20.925 26.190
97 HZ PHE 12 HZ PHE 12 35.248 19.468 27.924
98 H ALA 13 H ALA 13 33.719 24.956 31.693
99 HA ALA 13 HA ALA 13 35.465 25.055 33.062
100 HB1 ALA 13 HB1 ALA 13 36.796 23.426 30.876
101 HB2 ALA 13 HB2 ALA 13 37.231 23.447 32.601
102 HB3 ALA 13 HB3 ALA 13 35.666 22.806 32.101
103 H ASN 14 H ASN 14 35.311 27.349 31.343
104 HA ASN 14 HA ASN 14 36.381 29.215 30.700
105 HB2 ASN 14 HB2 ASN 14 38.566 28.441 32.675
106 HB3 ASN 14 HB3 ASN 14 38.311 30.034 31.968
107 HD21 ASN 14 HD21 ASN 14 36.443 28.899 35.257
108 HD22 ASN 14 HD22 ASN 14 37.494 27.812 34.402
109 H VAL 15 H VAL 15 36.746 26.952 28.910
110 HA VAL 15 HA VAL 15 39.563 27.291 27.975
111 HB VAL 15 HB VAL 15 37.530 25.148 27.246
112 HG11 VAL 15 HG11 VAL 15 39.236 25.111 25.533
113 HG12 VAL 15 HG12 VAL 15 40.515 25.457 26.715
114 HG13 VAL 15 HG13 VAL 15 39.711 23.880 26.668
115 HG21 VAL 15 HG21 VAL 15 38.880 23.683 28.740
116 HG22 VAL 15 HG22 VAL 15 39.852 25.082 29.243
117 HG23 VAL 15 HG23 VAL 15 38.127 24.976 29.645
118 H ASP 16 H ASP 16 39.543 26.882 25.427
119 HA ASP 16 HA ASP 16 37.578 28.646 24.106
120 HB2 ASP 16 HB2 ASP 16 39.909 29.742 24.086
121 HB3 ASP 16 HB3 ASP 16 40.530 28.303 23.279
122 H VAL 17 H VAL 17 36.277 27.376 23.259
123 HA VAL 17 HA VAL 17 37.201 24.623 22.564
124 HB VAL 17 HB VAL 17 34.555 25.256 23.773
125 HG11 VAL 17 HG11 VAL 17 34.786 22.911 24.570
126 HG12 VAL 17 HG12 VAL 17 34.971 23.037 22.826
127 HG13 VAL 17 HG13 VAL 17 36.405 22.838 23.848
128 HG21 VAL 17 HG21 VAL 17 36.127 26.137 25.498
129 HG22 VAL 17 HG22 VAL 17 35.434 24.598 26.028
130 HG23 VAL 17 HG23 VAL 17 37.058 24.622 25.312
131 H LYS 18 H LYS 18 36.144 23.554 20.969
132 HA LYS 18 HA LYS 18 35.827 24.871 18.599
133 HB2 LYS 18 HB2 LYS 18 34.556 22.197 19.301
134 HB3 LYS 18 HB3 LYS 18 34.876 22.773 17.669
135 HG2 LYS 18 HG2 LYS 18 36.955 22.109 19.787
136 HG3 LYS 18 HG3 LYS 18 36.535 21.137 18.388
137 HD2 LYS 18 HD2 LYS 18 37.852 23.878 18.286
138 HD3 LYS 18 HD3 LYS 18 38.633 22.314 18.079
139 HE2 LYS 18 HE2 LYS 18 36.990 21.927 16.118
140 HE3 LYS 18 HE3 LYS 18 36.666 23.681 16.212
141 HZ1 LYS 18 HZ1 LYS 18 39.326 22.427 15.873
142 HZ2 LYS 18 HZ2 LYS 18 38.510 23.114 14.643
143 HZ3 LYS 18 HZ3 LYS 18 39.085 24.023 15.925
144 H GLY 19 H GLY 19 33.041 24.211 20.705
145 HA2 GLY 19 HA2 GLY 19 31.077 25.053 18.758
146 HA3 GLY 19 HA3 GLY 19 30.844 24.854 20.484
147 H ASP 20 H ASP 20 33.247 26.878 20.617
148 HA ASP 20 HA ASP 20 33.443 28.984 21.379
149 HB2 ASP 20 HB2 ASP 20 32.910 29.484 18.456
150 HB3 ASP 20 HB3 ASP 20 33.839 30.485 19.555
151 H CYS 21 H CYS 21 32.359 30.276 22.642
152 HA CYS 21 HA CYS 21 29.710 31.275 22.247
153 HB2 CYS 21 HB2 CYS 21 32.123 32.202 23.865
154 HB3 CYS 21 HB3 CYS 21 30.595 33.081 23.870
155 H LYS 22 H LYS 22 32.813 32.387 21.039
156 HA LYS 22 HA LYS 22 32.547 34.915 20.081
157 HB2 LYS 22 HB2 LYS 22 34.403 33.302 19.582
158 HB3 LYS 22 HB3 LYS 22 33.346 32.442 18.478
159 HG2 LYS 22 HG2 LYS 22 34.708 33.697 17.074
160 HG3 LYS 22 HG3 LYS 22 33.186 34.564 17.078
161 HD2 LYS 22 HD2 LYS 22 34.880 36.202 17.203
162 HD3 LYS 22 HD3 LYS 22 34.217 36.126 18.844
163 HE2 LYS 22 HE2 LYS 22 36.108 34.679 19.542
164 HE3 LYS 22 HE3 LYS 22 36.723 34.668 17.883
165 HZ1 LYS 22 HZ1 LYS 22 36.520 37.075 19.626
166 HZ2 LYS 22 HZ2 LYS 22 37.900 36.300 19.171
167 HZ3 LYS 22 HZ3 LYS 22 37.009 37.073 18.049
168 H ARG 23 H ARG 23 31.014 32.111 18.393
169 HA ARG 23 HA ARG 23 29.812 33.838 16.367
170 HB2 ARG 23 HB2 ARG 23 29.561 30.868 16.988
171 HB3 ARG 23 HB3 ARG 23 28.860 31.667 15.565
172 HG2 ARG 23 HG2 ARG 23 31.114 32.421 14.893
173 HG3 ARG 23 HG3 ARG 23 31.839 31.569 16.267
174 HD2 ARG 23 HD2 ARG 23 30.244 30.295 14.030
175 HD3 ARG 23 HD3 ARG 23 32.005 30.333 14.145
176 HE ARG 23 HE ARG 23 30.139 28.649 15.679
177 HH11 ARG 23 HH11 ARG 23 34.029 28.346 16.444
178 HH12 ARG 23 HH12 ARG 23 33.554 29.557 15.255
179 HH21 ARG 23 HH21 ARG 23 32.697 26.867 17.150
180 HH22 ARG 23 HH22 ARG 23 30.962 27.016 16.955
181 H HIS 24 H HIS 24 28.520 32.256 19.251
182 HA HIS 24 HA HIS 24 25.777 33.056 18.897
183 HB2 HIS 24 HB2 HIS 24 26.221 31.384 20.475
184 HB3 HIS 24 HB3 HIS 24 27.535 32.281 21.225
185 HD2 HIS 24 HD2 HIS 24 27.017 33.312 23.448
186 HE1 HIS 24 HE1 HIS 24 22.809 33.876 23.107
187 HE2 HIS 24 HE2 HIS 24 24.779 34.095 24.654
188 H CYS 25 H CYS 25 28.475 34.706 20.647
189 HA CYS 25 HA CYS 25 26.901 37.054 21.213
190 HB2 CYS 25 HB2 CYS 25 29.835 36.350 21.352
191 HB3 CYS 25 HB3 CYS 25 29.266 37.974 21.727
192 H LYS 26 H LYS 26 28.805 36.208 18.339
193 HA LYS 26 HA LYS 26 29.196 38.843 17.386
194 HB2 LYS 26 HB2 LYS 26 30.284 36.783 16.465
195 HB3 LYS 26 HB3 LYS 26 28.755 36.328 15.731
196 HG2 LYS 26 HG2 LYS 26 30.248 37.269 14.107
197 HG3 LYS 26 HG3 LYS 26 28.858 38.321 14.259
198 HD2 LYS 26 HD2 LYS 26 31.449 38.860 15.749
199 HD3 LYS 26 HD3 LYS 26 31.295 39.288 14.055
200 HE2 LYS 26 HE2 LYS 26 29.386 40.332 16.184
201 HE3 LYS 26 HE3 LYS 26 30.886 41.139 15.730
202 HZ1 LYS 26 HZ1 LYS 26 28.641 40.605 13.865
203 HZ2 LYS 26 HZ2 LYS 26 29.056 42.067 14.526
204 HZ3 LYS 26 HZ3 LYS 26 30.080 41.339 13.491
205 H ALA 27 H ALA 27 26.269 36.872 17.321
206 HA ALA 27 HA ALA 27 24.748 38.387 15.415
207 HB1 ALA 27 HB1 ALA 27 22.832 37.294 16.532
208 HB2 ALA 27 HB2 ALA 27 24.155 36.136 16.284
209 HB3 ALA 27 HB3 ALA 27 23.872 36.833 17.897
210 H GLU 28 H GLU 28 25.479 38.907 18.809
211 HA GLU 28 HA GLU 28 23.691 41.231 19.134
212 HB2 GLU 28 HB2 GLU 28 25.708 39.981 21.039
213 HB3 GLU 28 HB3 GLU 28 24.432 41.118 21.449
214 HG2 GLU 28 HG2 GLU 28 23.877 38.351 20.377
215 HG3 GLU 28 HG3 GLU 28 24.014 38.715 22.066
216 H ASP 29 H ASP 29 26.420 40.851 17.514
217 HA ASP 29 HA ASP 29 28.229 41.918 16.906
218 HB2 ASP 29 HB2 ASP 29 26.411 43.572 16.396
219 HB3 ASP 29 HB3 ASP 29 26.936 44.489 17.796
220 H LYS 30 H LYS 30 28.360 40.733 19.432
221 HA LYS 30 HA LYS 30 30.449 42.347 20.855
222 HB2 LYS 30 HB2 LYS 30 28.715 40.086 21.923
223 HB3 LYS 30 HB3 LYS 30 29.886 41.030 22.841
224 HG2 LYS 30 HG2 LYS 30 27.334 42.132 21.643
225 HG3 LYS 30 HG3 LYS 30 27.503 41.558 23.297
226 HD2 LYS 30 HD2 LYS 30 29.110 43.246 23.861
227 HD3 LYS 30 HD3 LYS 30 29.252 43.774 22.181
228 HE2 LYS 30 HE2 LYS 30 26.685 43.942 23.799
229 HE3 LYS 30 HE3 LYS 30 27.830 45.276 23.603
230 HZ1 LYS 30 HZ1 LYS 30 26.104 45.471 21.961
231 HZ2 LYS 30 HZ2 LYS 30 27.480 45.141 21.187
232 HZ3 LYS 30 HZ3 LYS 30 26.374 43.950 21.369
233 H GLU 31 H GLU 31 32.182 41.110 21.877
234 HA GLU 31 HA GLU 31 33.145 38.671 20.466
235 HB2 GLU 31 HB2 GLU 31 34.070 39.979 23.054
236 HB3 GLU 31 HB3 GLU 31 34.844 38.614 22.302
237 HG2 GLU 31 HG2 GLU 31 34.606 41.283 20.869
238 HG3 GLU 31 HG3 GLU 31 35.962 40.836 21.887
239 H GLY 32 H GLY 32 33.351 36.573 21.660
240 HA2 GLY 32 HA2 GLY 32 31.414 36.243 23.930
241 HA3 GLY 32 HA3 GLY 32 31.550 35.042 22.676
242 H ILE 33 H ILE 33 32.284 35.343 25.757
243 HA ILE 33 HA ILE 33 34.706 33.703 25.568
244 HB ILE 33 HB ILE 33 35.496 34.993 27.740
245 HG12 ILE 33 HG12 ILE 33 35.463 37.442 27.414
246 HG13 ILE 33 HG13 ILE 33 34.297 37.264 26.100
247 HG21 ILE 33 HG21 ILE 33 37.137 36.138 26.331
248 HG22 ILE 33 HG22 ILE 33 36.821 34.505 25.729
249 HG23 ILE 33 HG23 ILE 33 36.104 35.908 24.905
250 HD11 ILE 33 HD11 ILE 33 32.600 36.452 27.680
251 HD12 ILE 33 HD12 ILE 33 33.818 36.392 28.972
252 HD13 ILE 33 HD13 ILE 33 33.305 37.952 28.310
253 H CYS 34 H CYS 34 34.924 32.151 27.096
254 HA CYS 34 HA CYS 34 32.329 31.518 28.292
255 HB2 CYS 34 HB2 CYS 34 34.622 29.596 28.006
256 HB3 CYS 34 HB3 CYS 34 32.879 29.287 27.898
257 H HIS 35 H HIS 35 31.917 31.910 30.277
258 HA HIS 35 HA HIS 35 34.025 32.101 32.398
259 HB2 HIS 35 HB2 HIS 35 31.294 33.307 32.022
260 HB3 HIS 35 HB3 HIS 35 31.935 33.076 33.645
261 HD2 HIS 35 HD2 HIS 35 32.791 35.058 30.428
262 HE1 HIS 35 HE1 HIS 35 34.944 36.791 33.679
263 HE2 HIS 35 HE2 HIS 35 34.336 37.072 31.237
264 H GLY 36 H GLY 36 34.440 30.101 33.166
265 HA2 GLY 36 HA2 GLY 36 34.118 28.175 34.432
266 HA3 GLY 36 HA3 GLY 36 32.491 28.738 34.836
267 H THR 37 H THR 37 31.055 27.160 34.226
268 HA THR 37 HA THR 37 31.310 25.901 31.536
269 HB THR 37 HB THR 37 29.616 24.347 32.262
270 HG1 THR 37 HG1 THR 37 29.042 24.258 34.408
271 HG21 THR 37 HG21 THR 37 31.999 23.766 32.681
272 HG22 THR 37 HG22 THR 37 31.869 24.491 34.298
273 HG23 THR 37 HG23 THR 37 30.917 23.059 33.879
274 H LYS 38 H LYS 38 30.431 28.778 32.206
275 HA LYS 38 HA LYS 38 27.782 28.729 30.815
276 HB2 LYS 38 HB2 LYS 38 28.822 30.982 32.564
277 HB3 LYS 38 HB3 LYS 38 27.200 30.762 31.925
278 HG2 LYS 38 HG2 LYS 38 28.529 29.094 34.089
279 HG3 LYS 38 HG3 LYS 38 27.292 30.322 34.326
280 HD2 LYS 38 HD2 LYS 38 25.650 28.993 33.068
281 HD3 LYS 38 HD3 LYS 38 26.858 27.748 32.734
282 HE2 LYS 38 HE2 LYS 38 25.940 28.574 35.515
283 HE3 LYS 38 HE3 LYS 38 25.315 27.193 34.615
284 HZ1 LYS 38 HZ1 LYS 38 28.162 27.490 35.454
285 HZ2 LYS 38 HZ2 LYS 38 27.027 26.483 36.116
286 HZ3 LYS 38 HZ3 LYS 38 27.544 26.237 34.598
287 H CYS 39 H CYS 39 27.355 30.268 29.261
288 HA CYS 39 HA CYS 39 29.749 31.387 27.883
289 HB2 CYS 39 HB2 CYS 39 28.161 29.824 26.769
290 HB3 CYS 39 HB3 CYS 39 26.894 31.039 26.936
291 H LYS 40 H LYS 40 30.162 33.552 27.832
292 HA LYS 40 HA LYS 40 27.953 35.517 28.173
293 HB2 LYS 40 HB2 LYS 40 30.662 35.472 29.567
294 HB3 LYS 40 HB3 LYS 40 29.709 36.942 29.365
295 HG2 LYS 40 HG2 LYS 40 27.788 35.818 30.530
296 HG3 LYS 40 HG3 LYS 40 28.879 34.470 30.935
297 HD2 LYS 40 HD2 LYS 40 30.377 36.011 32.133
298 HD3 LYS 40 HD3 LYS 40 29.418 37.402 31.576
299 HE2 LYS 40 HE2 LYS 40 27.452 36.546 32.793
300 HE3 LYS 40 HE3 LYS 40 28.414 35.179 33.379
301 HZ1 LYS 40 HZ1 LYS 40 29.863 36.760 34.520
302 HZ2 LYS 40 HZ2 LYS 40 29.036 38.045 33.934
303 HZ3 LYS 40 HZ3 LYS 40 28.334 37.010 35.026
304 H CYS 41 H CYS 41 28.448 37.621 27.355
305 HA CYS 41 HA CYS 41 30.401 37.598 25.133
306 HB2 CYS 41 HB2 CYS 41 28.344 39.719 25.722
307 HB3 CYS 41 HB3 CYS 41 29.411 39.611 24.350
308 H GLY 42 H GLY 42 31.801 39.356 24.801
309 HA2 GLY 42 HA2 GLY 42 33.107 40.247 27.338
310 HA3 GLY 42 HA3 GLY 42 33.881 40.105 25.755
311 H VAL 43 H VAL 43 33.504 41.699 24.185
312 HA VAL 43 HA VAL 43 32.336 44.273 25.104
313 HB VAL 43 HB VAL 43 34.317 45.451 24.177
314 HG11 VAL 43 HG11 VAL 43 35.931 44.939 25.873
315 HG12 VAL 43 HG12 VAL 43 34.305 44.791 26.568
316 HG13 VAL 43 HG13 VAL 43 35.234 43.330 26.149
317 HG21 VAL 43 HG21 VAL 43 35.527 42.706 23.701
318 HG22 VAL 43 HG22 VAL 43 34.970 43.852 22.454
319 HG23 VAL 43 HG23 VAL 43 36.330 44.281 23.510
320 HA PRO 44 HA PRO 44 30.695 44.670 20.939
321 HB2 PRO 44 HB2 PRO 44 31.056 47.363 20.431
322 HB3 PRO 44 HB3 PRO 44 29.756 46.690 21.462
323 HG2 PRO 44 HG2 PRO 44 32.380 47.884 22.333
324 HG3 PRO 44 HG3 PRO 44 30.749 48.151 23.015
325 HD2 PRO 44 HD2 PRO 44 32.502 46.444 24.151
326 HD3 PRO 44 HD3 PRO 44 30.787 46.021 24.121
327 H ILE 45 H ILE 45 31.518 44.328 18.932
328 HA ILE 45 HA ILE 45 34.340 43.808 18.834
329 HB ILE 45 HB ILE 45 33.983 42.979 16.606
330 HG12 ILE 45 HG12 ILE 45 31.406 43.096 15.836
331 HG13 ILE 45 HG13 ILE 45 31.462 44.621 16.670
332 HG21 ILE 45 HG21 ILE 45 31.585 42.196 18.288
333 HG22 ILE 45 HG22 ILE 45 32.452 41.219 17.093
334 HG23 ILE 45 HG23 ILE 45 33.246 41.659 18.602
335 HD11 ILE 45 HD11 ILE 45 33.400 45.316 15.170
336 HD12 ILE 45 HD12 ILE 45 33.279 43.741 14.384
337 HD13 ILE 45 HD13 ILE 45 31.927 44.894 14.280
338 H SER 46 H SER 46 32.533 46.620 17.783
339 HA SER 46 HA SER 46 34.695 47.575 16.079
340 HB2 SER 46 HB2 SER 46 32.310 48.083 15.636
341 HB3 SER 46 HB3 SER 46 32.343 49.175 17.072
342 HG SER 46 HG SER 46 32.845 50.077 14.889
343 H TYR 47 H TYR 47 36.511 48.202 16.837
344 HA TYR 47 HA TYR 47 36.810 49.263 19.555
345 HB2 TYR 47 HB2 TYR 47 38.962 48.381 17.602
346 HB3 TYR 47 HB3 TYR 47 39.126 48.659 19.348
347 HD1 TYR 47 HD1 TYR 47 37.275 47.265 20.795
348 HD2 TYR 47 HD2 TYR 47 38.945 46.109 17.002
349 HE1 TYR 47 HE1 TYR 47 36.568 44.933 21.199
350 HE2 TYR 47 HE2 TYR 47 38.275 43.755 17.423
351 HH TYR 47 HH TYR 47 36.561 42.822 20.423
352 H LEU 48 H LEU 48 35.652 51.144 17.901
353 HA LEU 48 HA LEU 48 37.538 52.967 16.758
354 HB2 LEU 48 HB2 LEU 48 35.742 54.348 16.222
355 HB3 LEU 48 HB3 LEU 48 35.172 52.703 15.974
356 HG LEU 48 HG LEU 48 34.523 54.389 18.438
357 HD11 LEU 48 HD11 LEU 48 33.658 55.446 16.399
358 HD12 LEU 48 HD12 LEU 48 32.897 53.909 15.916
359 HD13 LEU 48 HD13 LEU 48 32.343 54.772 17.371
360 HD21 LEU 48 HD21 LEU 48 32.626 52.785 18.670
361 HD22 LEU 48 HD22 LEU 48 33.284 51.832 17.328
362 HD23 LEU 48 HD23 LEU 48 34.187 51.992 18.855
Start of MODEL 12
1 H1 VAL 1 H1 VAL 1 16.153 20.690 29.529
2 H2 VAL 1 H2 VAL 1 16.563 19.229 30.194
3 H3 VAL 1 H3 VAL 1 16.530 19.423 28.570
4 HA VAL 1 HA VAL 1 18.327 20.984 28.627
5 HB VAL 1 HB VAL 1 17.676 21.630 31.070
6 HG11 VAL 1 HG11 VAL 1 18.130 19.465 32.172
7 HG12 VAL 1 HG12 VAL 1 19.846 19.609 31.748
8 HG13 VAL 1 HG13 VAL 1 19.091 20.796 32.820
9 HG21 VAL 1 HG21 VAL 1 19.801 22.683 31.405
10 HG22 VAL 1 HG22 VAL 1 20.618 21.539 30.330
11 HG23 VAL 1 HG23 VAL 1 19.440 22.700 29.675
12 H HIS 2 H HIS 2 20.543 20.270 28.396
13 HA HIS 2 HA HIS 2 21.339 17.698 29.514
14 HB2 HIS 2 HB2 HIS 2 22.230 16.840 27.319
15 HB3 HIS 2 HB3 HIS 2 20.524 16.672 27.644
16 HD2 HIS 2 HD2 HIS 2 21.627 20.062 26.198
17 HE1 HIS 2 HE1 HIS 2 19.627 17.929 23.110
18 HE2 HIS 2 HE2 HIS 2 20.545 20.183 23.808
19 H LYS 3 H LYS 3 22.359 19.444 30.668
20 HA LYS 3 HA LYS 3 24.280 21.139 29.385
21 HB2 LYS 3 HB2 LYS 3 24.767 21.857 31.814
22 HB3 LYS 3 HB3 LYS 3 23.293 22.293 30.983
23 HG2 LYS 3 HG2 LYS 3 22.810 21.711 33.278
24 HG3 LYS 3 HG3 LYS 3 21.997 20.629 32.165
25 HD2 LYS 3 HD2 LYS 3 22.784 19.283 33.940
26 HD3 LYS 3 HD3 LYS 3 23.860 18.949 32.560
27 HE2 LYS 3 HE2 LYS 3 25.592 20.356 33.476
28 HE3 LYS 3 HE3 LYS 3 24.509 21.014 34.713
29 HZ1 LYS 3 HZ1 LYS 3 24.469 18.917 35.813
30 HZ2 LYS 3 HZ2 LYS 3 25.281 18.155 34.603
31 HZ3 LYS 3 HZ3 LYS 3 26.037 19.300 35.544
32 H MET 4 H MET 4 25.255 19.325 28.393
33 HA MET 4 HA MET 4 27.879 18.686 29.634
34 HB2 MET 4 HB2 MET 4 27.792 16.433 28.610
35 HB3 MET 4 HB3 MET 4 26.676 16.664 29.948
36 HG2 MET 4 HG2 MET 4 24.776 16.808 28.448
37 HG3 MET 4 HG3 MET 4 25.826 16.786 27.031
38 HE1 MET 4 HE1 MET 4 24.197 13.337 26.532
39 HE2 MET 4 HE2 MET 4 23.415 14.843 27.046
40 HE3 MET 4 HE3 MET 4 24.675 14.875 25.791
41 H ALA 5 H ALA 5 28.269 20.668 28.440
42 HA ALA 5 HA ALA 5 28.807 21.988 26.731
43 HB1 ALA 5 HB1 ALA 5 29.833 19.465 25.424
44 HB2 ALA 5 HB2 ALA 5 30.385 21.125 25.136
45 HB3 ALA 5 HB3 ALA 5 30.655 20.374 26.717
46 H LYS 6 H LYS 6 26.017 20.788 26.494
47 HA LYS 6 HA LYS 6 25.559 21.569 23.620
48 HB2 LYS 6 HB2 LYS 6 24.041 19.561 25.314
49 HB3 LYS 6 HB3 LYS 6 23.495 20.172 23.748
50 HG2 LYS 6 HG2 LYS 6 25.535 19.290 22.668
51 HG3 LYS 6 HG3 LYS 6 26.125 18.704 24.226
52 HD2 LYS 6 HD2 LYS 6 25.168 16.867 23.021
53 HD3 LYS 6 HD3 LYS 6 24.141 17.223 24.427
54 HE2 LYS 6 HE2 LYS 6 22.532 18.382 22.978
55 HE3 LYS 6 HE3 LYS 6 23.611 18.207 21.588
56 HZ1 LYS 6 HZ1 LYS 6 21.877 16.526 21.567
57 HZ2 LYS 6 HZ2 LYS 6 23.343 15.831 21.707
58 HZ3 LYS 6 HZ3 LYS 6 22.360 15.928 23.027
59 H ASN 7 H ASN 7 25.395 22.922 26.495
60 HA ASN 7 HA ASN 7 23.067 24.648 25.803
61 HB2 ASN 7 HB2 ASN 7 23.637 23.397 28.539
62 HB3 ASN 7 HB3 ASN 7 22.496 24.718 28.269
63 HD21 ASN 7 HD21 ASN 7 20.274 22.562 26.332
64 HD22 ASN 7 HD22 ASN 7 21.046 24.141 26.125
65 H GLN 8 H GLN 8 26.285 24.474 26.505
66 HA GLN 8 HA GLN 8 26.495 27.337 27.266
67 HB2 GLN 8 HB2 GLN 8 28.632 26.731 28.368
68 HB3 GLN 8 HB3 GLN 8 27.177 26.180 29.120
69 HG2 GLN 8 HG2 GLN 8 28.603 24.295 27.196
70 HG3 GLN 8 HG3 GLN 8 29.305 24.577 28.787
71 HE21 GLN 8 HE21 GLN 8 26.372 23.474 30.563
72 HE22 GLN 8 HE22 GLN 8 27.733 24.554 30.624
73 H PHE 9 H PHE 9 26.242 26.310 24.565
74 HA PHE 9 HA PHE 9 27.185 26.705 22.506
75 HB2 PHE 9 HB2 PHE 9 29.195 28.508 23.870
76 HB3 PHE 9 HB3 PHE 9 28.540 28.635 22.239
77 HD1 PHE 9 HD1 PHE 9 26.079 29.204 21.914
78 HD2 PHE 9 HD2 PHE 9 28.044 29.535 25.727
79 HE1 PHE 9 HE1 PHE 9 24.175 30.547 22.778
80 HE2 PHE 9 HE2 PHE 9 26.153 30.929 26.577
81 HZ PHE 9 HZ PHE 9 24.222 31.419 25.104
82 H GLY 10 H GLY 10 28.145 24.405 23.879
83 HA2 GLY 10 HA2 GLY 10 29.805 22.795 23.774
84 HA3 GLY 10 HA3 GLY 10 30.511 23.694 22.450
85 H CYS 11 H CYS 11 30.473 25.779 25.208
86 HA CYS 11 HA CYS 11 33.335 25.120 25.643
87 HB2 CYS 11 HB2 CYS 11 33.815 27.365 25.938
88 HB3 CYS 11 HB3 CYS 11 33.009 27.156 24.392
89 H PHE 12 H PHE 12 33.972 24.508 27.561
90 HA PHE 12 HA PHE 12 32.456 25.418 29.931
91 HB2 PHE 12 HB2 PHE 12 31.919 23.308 30.802
92 HB3 PHE 12 HB3 PHE 12 31.304 23.332 29.180
93 HD1 PHE 12 HD1 PHE 12 32.838 22.143 27.332
94 HD2 PHE 12 HD2 PHE 12 33.225 21.533 31.586
95 HE1 PHE 12 HE1 PHE 12 34.066 20.027 26.924
96 HE2 PHE 12 HE2 PHE 12 34.457 19.430 31.176
97 HZ PHE 12 HZ PHE 12 34.885 18.662 28.847
98 H ALA 13 H ALA 13 33.449 24.719 31.988
99 HA ALA 13 HA ALA 13 35.182 24.862 33.417
100 HB1 ALA 13 HB1 ALA 13 35.060 22.472 32.933
101 HB2 ALA 13 HB2 ALA 13 36.234 22.670 31.609
102 HB3 ALA 13 HB3 ALA 13 36.720 22.965 33.298
103 H ASN 14 H ASN 14 35.346 26.911 31.581
104 HA ASN 14 HA ASN 14 36.675 28.474 30.658
105 HB2 ASN 14 HB2 ASN 14 38.755 27.555 32.689
106 HB3 ASN 14 HB3 ASN 14 38.624 29.142 31.934
107 HD21 ASN 14 HD21 ASN 14 36.616 30.417 34.318
108 HD22 ASN 14 HD22 ASN 14 37.546 30.690 32.857
109 H VAL 15 H VAL 15 36.871 25.805 29.232
110 HA VAL 15 HA VAL 15 39.697 25.767 28.315
111 HB VAL 15 HB VAL 15 37.358 23.993 27.454
112 HG11 VAL 15 HG11 VAL 15 39.091 23.814 25.775
113 HG12 VAL 15 HG12 VAL 15 40.369 23.753 27.021
114 HG13 VAL 15 HG13 VAL 15 39.223 22.417 26.811
115 HG21 VAL 15 HG21 VAL 15 39.595 23.525 29.493
116 HG22 VAL 15 HG22 VAL 15 37.866 23.684 29.862
117 HG23 VAL 15 HG23 VAL 15 38.429 22.302 28.932
118 H ASP 16 H ASP 16 39.845 25.587 25.755
119 HA ASP 16 HA ASP 16 38.087 27.602 24.451
120 HB2 ASP 16 HB2 ASP 16 40.288 28.637 24.427
121 HB3 ASP 16 HB3 ASP 16 41.051 27.118 23.928
122 H VAL 17 H VAL 17 36.713 26.604 23.569
123 HA VAL 17 HA VAL 17 37.147 23.848 22.576
124 HB VAL 17 HB VAL 17 34.615 24.141 23.806
125 HG11 VAL 17 HG11 VAL 17 35.882 22.057 23.437
126 HG12 VAL 17 HG12 VAL 17 37.046 22.541 24.685
127 HG13 VAL 17 HG13 VAL 17 35.351 22.221 25.116
128 HG21 VAL 17 HG21 VAL 17 36.889 24.840 25.627
129 HG22 VAL 17 HG22 VAL 17 35.483 25.866 25.324
130 HG23 VAL 17 HG23 VAL 17 35.306 24.325 26.216
131 H LYS 18 H LYS 18 36.204 23.386 20.693
132 HA LYS 18 HA LYS 18 35.645 25.681 19.060
133 HB2 LYS 18 HB2 LYS 18 35.764 22.758 18.296
134 HB3 LYS 18 HB3 LYS 18 35.642 24.095 17.157
135 HG2 LYS 18 HG2 LYS 18 37.979 23.516 19.014
136 HG3 LYS 18 HG3 LYS 18 37.919 23.407 17.264
137 HD2 LYS 18 HD2 LYS 18 38.999 25.412 17.444
138 HD3 LYS 18 HD3 LYS 18 37.336 26.008 17.425
139 HE2 LYS 18 HE2 LYS 18 37.436 25.930 19.998
140 HE3 LYS 18 HE3 LYS 18 39.159 25.571 19.840
141 HZ1 LYS 18 HZ1 LYS 18 38.784 27.921 20.166
142 HZ2 LYS 18 HZ2 LYS 18 39.355 27.720 18.631
143 HZ3 LYS 18 HZ3 LYS 18 37.753 28.016 18.899
144 H GLY 19 H GLY 19 33.327 24.391 20.848
145 HA2 GLY 19 HA2 GLY 19 31.082 24.857 19.036
146 HA3 GLY 19 HA3 GLY 19 31.050 24.931 20.799
147 H ASP 20 H ASP 20 33.411 26.835 20.700
148 HA ASP 20 HA ASP 20 33.860 29.042 20.862
149 HB2 ASP 20 HB2 ASP 20 32.945 28.833 17.992
150 HB3 ASP 20 HB3 ASP 20 33.824 30.198 18.672
151 H CYS 21 H CYS 21 32.495 29.917 22.383
152 HA CYS 21 HA CYS 21 29.874 30.829 21.891
153 HB2 CYS 21 HB2 CYS 21 31.041 30.503 24.140
154 HB3 CYS 21 HB3 CYS 21 31.908 31.998 23.841
155 H LYS 22 H LYS 22 32.929 32.312 21.063
156 HA LYS 22 HA LYS 22 32.411 34.944 20.415
157 HB2 LYS 22 HB2 LYS 22 34.491 33.661 19.898
158 HB3 LYS 22 HB3 LYS 22 33.619 32.689 18.730
159 HG2 LYS 22 HG2 LYS 22 34.879 34.181 17.454
160 HG3 LYS 22 HG3 LYS 22 33.228 34.765 17.342
161 HD2 LYS 22 HD2 LYS 22 34.719 36.623 17.548
162 HD3 LYS 22 HD3 LYS 22 33.786 36.526 19.054
163 HE2 LYS 22 HE2 LYS 22 35.643 35.593 20.255
164 HE3 LYS 22 HE3 LYS 22 36.503 35.182 18.767
165 HZ1 LYS 22 HZ1 LYS 22 35.979 37.982 19.596
166 HZ2 LYS 22 HZ2 LYS 22 37.368 37.140 19.910
167 HZ3 LYS 22 HZ3 LYS 22 36.938 37.453 18.355
168 H ARG 23 H ARG 23 31.159 32.076 18.578
169 HA ARG 23 HA ARG 23 29.998 33.642 16.461
170 HB2 ARG 23 HB2 ARG 23 29.340 30.792 17.348
171 HB3 ARG 23 HB3 ARG 23 28.918 31.531 15.801
172 HG2 ARG 23 HG2 ARG 23 31.351 31.815 15.315
173 HG3 ARG 23 HG3 ARG 23 31.751 30.977 16.819
174 HD2 ARG 23 HD2 ARG 23 30.104 29.784 14.554
175 HD3 ARG 23 HD3 ARG 23 31.845 29.569 14.789
176 HE ARG 23 HE ARG 23 30.600 28.771 17.194
177 HH11 ARG 23 HH11 ARG 23 30.825 27.545 13.872
178 HH12 ARG 23 HH12 ARG 23 30.928 25.896 14.443
179 HH21 ARG 23 HH21 ARG 23 30.394 26.687 17.731
180 HH22 ARG 23 HH22 ARG 23 30.471 25.413 16.521
181 H HIS 24 H HIS 24 28.447 32.166 19.334
182 HA HIS 24 HA HIS 24 25.823 33.181 18.903
183 HB2 HIS 24 HB2 HIS 24 25.981 31.546 20.570
184 HB3 HIS 24 HB3 HIS 24 27.408 32.266 21.304
185 HD2 HIS 24 HD2 HIS 24 27.118 33.815 23.329
186 HE1 HIS 24 HE1 HIS 24 22.892 34.304 23.292
187 HE2 HIS 24 HE2 HIS 24 25.027 34.807 24.583
188 H CYS 25 H CYS 25 28.560 34.645 20.766
189 HA CYS 25 HA CYS 25 27.037 37.006 21.363
190 HB2 CYS 25 HB2 CYS 25 29.963 36.289 21.502
191 HB3 CYS 25 HB3 CYS 25 29.392 37.918 21.869
192 H LYS 26 H LYS 26 29.098 36.235 18.519
193 HA LYS 26 HA LYS 26 29.180 38.883 17.493
194 HB2 LYS 26 HB2 LYS 26 30.315 36.598 16.737
195 HB3 LYS 26 HB3 LYS 26 28.958 36.509 15.636
196 HG2 LYS 26 HG2 LYS 26 31.056 38.725 15.861
197 HG3 LYS 26 HG3 LYS 26 31.014 37.439 14.662
198 HD2 LYS 26 HD2 LYS 26 30.100 39.024 13.352
199 HD3 LYS 26 HD3 LYS 26 28.605 38.525 14.148
200 HE2 LYS 26 HE2 LYS 26 29.081 40.353 15.881
201 HE3 LYS 26 HE3 LYS 26 30.389 40.901 14.819
202 HZ1 LYS 26 HZ1 LYS 26 27.564 40.674 13.927
203 HZ2 LYS 26 HZ2 LYS 26 28.226 42.063 14.507
204 HZ3 LYS 26 HZ3 LYS 26 28.834 41.395 13.140
205 H ALA 27 H ALA 27 26.509 36.531 17.477
206 HA ALA 27 HA ALA 27 24.898 37.940 15.528
207 HB1 ALA 27 HB1 ALA 27 24.030 36.106 17.780
208 HB2 ALA 27 HB2 ALA 27 23.142 36.464 16.294
209 HB3 ALA 27 HB3 ALA 27 24.656 35.533 16.216
210 H GLU 28 H GLU 28 25.352 38.215 19.028
211 HA GLU 28 HA GLU 28 23.326 40.323 19.387
212 HB2 GLU 28 HB2 GLU 28 25.438 39.268 21.288
213 HB3 GLU 28 HB3 GLU 28 24.073 40.280 21.716
214 HG2 GLU 28 HG2 GLU 28 23.688 37.519 20.577
215 HG3 GLU 28 HG3 GLU 28 23.977 37.784 22.264
216 H ASP 29 H ASP 29 26.123 40.308 17.803
217 HA ASP 29 HA ASP 29 27.674 41.676 17.096
218 HB2 ASP 29 HB2 ASP 29 25.601 43.148 16.891
219 HB3 ASP 29 HB3 ASP 29 26.242 44.062 18.253
220 H LYS 30 H LYS 30 28.311 40.360 19.423
221 HA LYS 30 HA LYS 30 30.254 42.223 20.765
222 HB2 LYS 30 HB2 LYS 30 28.603 40.017 22.071
223 HB3 LYS 30 HB3 LYS 30 29.716 41.104 22.898
224 HG2 LYS 30 HG2 LYS 30 27.119 41.917 21.584
225 HG3 LYS 30 HG3 LYS 30 27.343 41.628 23.298
226 HD2 LYS 30 HD2 LYS 30 28.793 43.476 23.584
227 HD3 LYS 30 HD3 LYS 30 29.018 43.704 21.848
228 HE2 LYS 30 HE2 LYS 30 26.355 44.051 23.263
229 HE3 LYS 30 HE3 LYS 30 27.461 45.376 22.897
230 HZ1 LYS 30 HZ1 LYS 30 25.756 45.137 21.192
231 HZ2 LYS 30 HZ2 LYS 30 27.216 44.890 20.521
232 HZ3 LYS 30 HZ3 LYS 30 26.221 43.609 20.845
233 H GLU 31 H GLU 31 31.826 41.144 22.113
234 HA GLU 31 HA GLU 31 33.162 38.754 20.965
235 HB2 GLU 31 HB2 GLU 31 33.644 40.335 23.531
236 HB3 GLU 31 HB3 GLU 31 34.676 39.054 22.960
237 HG2 GLU 31 HG2 GLU 31 34.221 41.595 21.349
238 HG3 GLU 31 HG3 GLU 31 35.536 41.363 22.493
239 H GLY 32 H GLY 32 33.516 36.779 22.283
240 HA2 GLY 32 HA2 GLY 32 31.360 36.265 24.316
241 HA3 GLY 32 HA3 GLY 32 31.790 35.080 23.104
242 H ILE 33 H ILE 33 32.127 35.657 26.282
243 HA ILE 33 HA ILE 33 34.705 34.192 26.412
244 HB ILE 33 HB ILE 33 35.065 35.270 28.691
245 HG12 ILE 33 HG12 ILE 33 34.494 37.750 28.648
246 HG13 ILE 33 HG13 ILE 33 33.252 37.381 27.457
247 HG21 ILE 33 HG21 ILE 33 36.488 35.509 26.692
248 HG22 ILE 33 HG22 ILE 33 35.474 36.849 26.118
249 HG23 ILE 33 HG23 ILE 33 36.415 37.007 27.614
250 HD11 ILE 33 HD11 ILE 33 32.475 37.618 29.857
251 HD12 ILE 33 HD12 ILE 33 32.016 36.092 29.116
252 HD13 ILE 33 HD13 ILE 33 33.381 36.134 30.242
253 H CYS 34 H CYS 34 34.536 32.234 27.002
254 HA CYS 34 HA CYS 34 32.333 31.243 28.641
255 HB2 CYS 34 HB2 CYS 34 34.755 29.789 27.552
256 HB3 CYS 34 HB3 CYS 34 33.252 29.076 28.139
257 H HIS 35 H HIS 35 32.597 32.230 30.618
258 HA HIS 35 HA HIS 35 35.148 32.173 32.018
259 HB2 HIS 35 HB2 HIS 35 33.943 33.643 33.639
260 HB3 HIS 35 HB3 HIS 35 33.779 34.199 31.977
261 HD2 HIS 35 HD2 HIS 35 31.360 34.544 31.074
262 HE1 HIS 35 HE1 HIS 35 29.183 32.430 34.078
263 HE2 HIS 35 HE2 HIS 35 28.973 33.845 31.968
264 H GLY 36 H GLY 36 33.261 29.674 31.765
265 HA2 GLY 36 HA2 GLY 36 34.263 28.168 33.911
266 HA3 GLY 36 HA3 GLY 36 32.699 28.800 34.434
267 H THR 37 H THR 37 31.375 27.058 34.296
268 HA THR 37 HA THR 37 31.117 25.349 31.904
269 HB THR 37 HB THR 37 28.894 24.870 33.481
270 HG1 THR 37 HG1 THR 37 29.784 24.723 35.617
271 HG21 THR 37 HG21 THR 37 31.681 23.688 33.677
272 HG22 THR 37 HG22 THR 37 30.212 22.946 34.357
273 HG23 THR 37 HG23 THR 37 30.344 23.161 32.609
274 H LYS 38 H LYS 38 30.228 28.444 32.599
275 HA LYS 38 HA LYS 38 28.046 28.510 30.568
276 HB2 LYS 38 HB2 LYS 38 28.452 30.329 32.987
277 HB3 LYS 38 HB3 LYS 38 27.113 30.412 31.854
278 HG2 LYS 38 HG2 LYS 38 27.679 28.152 33.827
279 HG3 LYS 38 HG3 LYS 38 26.458 29.397 34.004
280 HD2 LYS 38 HD2 LYS 38 26.470 27.435 31.677
281 HD3 LYS 38 HD3 LYS 38 25.666 27.104 33.212
282 HE2 LYS 38 HE2 LYS 38 24.201 29.008 32.985
283 HE3 LYS 38 HE3 LYS 38 25.070 29.590 31.555
284 HZ1 LYS 38 HZ1 LYS 38 24.310 27.756 30.314
285 HZ2 LYS 38 HZ2 LYS 38 23.634 26.993 31.632
286 HZ3 LYS 38 HZ3 LYS 38 22.983 28.377 31.062
287 H CYS 39 H CYS 39 27.879 30.611 29.468
288 HA CYS 39 HA CYS 39 30.477 32.079 29.184
289 HB2 CYS 39 HB2 CYS 39 29.972 30.616 27.222
290 HB3 CYS 39 HB3 CYS 39 28.439 31.469 27.028
291 H LYS 40 H LYS 40 30.338 34.304 28.585
292 HA LYS 40 HA LYS 40 27.726 35.696 28.578
293 HB2 LYS 40 HB2 LYS 40 30.031 36.209 30.490
294 HB3 LYS 40 HB3 LYS 40 29.148 37.576 29.863
295 HG2 LYS 40 HG2 LYS 40 27.000 36.551 30.637
296 HG3 LYS 40 HG3 LYS 40 27.925 35.226 31.352
297 HD2 LYS 40 HD2 LYS 40 29.162 36.926 32.765
298 HD3 LYS 40 HD3 LYS 40 28.082 38.180 32.092
299 HE2 LYS 40 HE2 LYS 40 26.129 36.772 32.834
300 HE3 LYS 40 HE3 LYS 40 27.271 35.679 33.625
301 HZ1 LYS 40 HZ1 LYS 40 26.924 38.572 34.263
302 HZ2 LYS 40 HZ2 LYS 40 26.332 37.374 35.170
303 HZ3 LYS 40 HZ3 LYS 40 27.968 37.562 35.045
304 H CYS 41 H CYS 41 27.831 37.748 27.373
305 HA CYS 41 HA CYS 41 30.060 37.776 25.462
306 HB2 CYS 41 HB2 CYS 41 27.756 39.711 25.636
307 HB3 CYS 41 HB3 CYS 41 28.987 39.639 24.401
308 H GLY 42 H GLY 42 31.325 39.578 25.014
309 HA2 GLY 42 HA2 GLY 42 32.443 40.828 27.468
310 HA3 GLY 42 HA3 GLY 42 33.264 40.622 25.920
311 H VAL 43 H VAL 43 33.024 42.183 24.324
312 HA VAL 43 HA VAL 43 31.437 44.603 24.886
313 HB VAL 43 HB VAL 43 33.419 45.964 24.204
314 HG11 VAL 43 HG11 VAL 43 32.993 45.512 26.605
315 HG12 VAL 43 HG12 VAL 43 34.095 44.119 26.519
316 HG13 VAL 43 HG13 VAL 43 34.707 45.760 26.238
317 HG21 VAL 43 HG21 VAL 43 34.621 44.299 22.826
318 HG22 VAL 43 HG22 VAL 43 35.651 45.000 24.078
319 HG23 VAL 43 HG23 VAL 43 35.003 43.364 24.292
320 HA PRO 44 HA PRO 44 30.411 44.754 20.536
321 HB2 PRO 44 HB2 PRO 44 31.656 47.515 20.551
322 HB3 PRO 44 HB3 PRO 44 30.108 46.989 19.820
323 HG2 PRO 44 HG2 PRO 44 30.136 48.269 22.213
324 HG3 PRO 44 HG3 PRO 44 29.059 46.859 21.959
325 HD2 PRO 44 HD2 PRO 44 31.711 46.943 23.422
326 HD3 PRO 44 HD3 PRO 44 30.213 46.065 23.809
327 H ILE 45 H ILE 45 31.241 44.401 18.560
328 HA ILE 45 HA ILE 45 33.876 43.401 18.368
329 HB ILE 45 HB ILE 45 33.338 42.909 16.068
330 HG12 ILE 45 HG12 ILE 45 30.801 43.712 15.459
331 HG13 ILE 45 HG13 ILE 45 31.313 45.119 16.350
332 HG21 ILE 45 HG21 ILE 45 31.486 41.486 16.442
333 HG22 ILE 45 HG22 ILE 45 32.308 41.640 17.992
334 HG23 ILE 45 HG23 ILE 45 30.806 42.543 17.697
335 HD11 ILE 45 HD11 ILE 45 31.716 45.356 13.923
336 HD12 ILE 45 HD12 ILE 45 33.251 45.396 14.788
337 HD13 ILE 45 HD13 ILE 45 32.757 43.920 13.936
338 H SER 46 H SER 46 32.828 46.631 17.688
339 HA SER 46 HA SER 46 34.933 47.428 15.955
340 HB2 SER 46 HB2 SER 46 33.281 49.089 17.888
341 HB3 SER 46 HB3 SER 46 34.153 49.670 16.459
342 HG SER 46 HG SER 46 32.519 49.055 15.269
343 H TYR 47 H TYR 47 36.816 46.494 16.865
344 HA TYR 47 HA TYR 47 37.772 47.117 19.516
345 HB2 TYR 47 HB2 TYR 47 39.430 46.089 17.215
346 HB3 TYR 47 HB3 TYR 47 39.674 45.805 18.931
347 HD1 TYR 47 HD1 TYR 47 37.158 44.735 19.951
348 HD2 TYR 47 HD2 TYR 47 39.010 44.131 16.106
349 HE1 TYR 47 HE1 TYR 47 35.950 42.587 19.699
350 HE2 TYR 47 HE2 TYR 47 37.823 41.965 15.868
351 HH TYR 47 HH TYR 47 35.708 40.613 18.403
352 H LEU 48 H LEU 48 37.736 49.075 16.795
353 HA LEU 48 HA LEU 48 39.918 50.850 17.760
354 HB2 LEU 48 HB2 LEU 48 40.750 49.637 15.844
355 HB3 LEU 48 HB3 LEU 48 39.239 49.846 14.966
356 HG LEU 48 HG LEU 48 39.637 52.242 14.761
357 HD11 LEU 48 HD11 LEU 48 41.025 52.722 16.704
358 HD12 LEU 48 HD12 LEU 48 42.295 51.631 16.118
359 HD13 LEU 48 HD13 LEU 48 41.932 53.140 15.249
360 HD21 LEU 48 HD21 LEU 48 42.006 50.567 13.833
361 HD22 LEU 48 HD22 LEU 48 40.419 50.628 13.038
362 HD23 LEU 48 HD23 LEU 48 41.425 52.082 13.110
Start of MODEL 13
1 H1 VAL 1 H1 VAL 1 17.404 19.457 32.830
2 H2 VAL 1 H2 VAL 1 18.866 19.061 33.475
3 H3 VAL 1 H3 VAL 1 18.334 18.307 32.109
4 HA VAL 1 HA VAL 1 18.406 20.325 30.854
5 HB VAL 1 HB VAL 1 19.717 21.528 33.325
6 HG11 VAL 1 HG11 VAL 1 20.683 22.411 31.228
7 HG12 VAL 1 HG12 VAL 1 19.052 22.733 30.598
8 HG13 VAL 1 HG13 VAL 1 19.667 23.627 31.999
9 HG21 VAL 1 HG21 VAL 1 17.002 22.085 32.042
10 HG22 VAL 1 HG22 VAL 1 17.289 21.422 33.672
11 HG23 VAL 1 HG23 VAL 1 17.756 23.076 33.308
12 H HIS 2 H HIS 2 19.974 20.029 29.407
13 HA HIS 2 HA HIS 2 22.215 18.308 30.065
14 HB2 HIS 2 HB2 HIS 2 21.414 19.620 27.442
15 HB3 HIS 2 HB3 HIS 2 22.643 18.372 27.645
16 HD2 HIS 2 HD2 HIS 2 19.722 18.285 25.983
17 HE1 HIS 2 HE1 HIS 2 19.244 14.815 28.407
18 HE2 HIS 2 HE2 HIS 2 18.415 16.025 26.312
19 H LYS 3 H LYS 3 22.822 20.307 31.628
20 HA LYS 3 HA LYS 3 24.467 22.300 30.279
21 HB2 LYS 3 HB2 LYS 3 24.815 23.277 32.550
22 HB3 LYS 3 HB3 LYS 3 23.222 23.308 31.816
23 HG2 LYS 3 HG2 LYS 3 23.086 22.828 34.194
24 HG3 LYS 3 HG3 LYS 3 22.411 21.533 33.209
25 HD2 LYS 3 HD2 LYS 3 24.599 20.261 33.518
26 HD3 LYS 3 HD3 LYS 3 25.108 21.554 34.633
27 HE2 LYS 3 HE2 LYS 3 23.114 21.155 36.000
28 HE3 LYS 3 HE3 LYS 3 22.541 19.940 34.836
29 HZ1 LYS 3 HZ1 LYS 3 25.167 19.643 36.136
30 HZ2 LYS 3 HZ2 LYS 3 23.839 19.171 36.941
31 HZ3 LYS 3 HZ3 LYS 3 24.220 18.453 35.496
32 H MET 4 H MET 4 25.446 20.017 29.606
33 HA MET 4 HA MET 4 28.238 20.085 30.633
34 HB2 MET 4 HB2 MET 4 26.703 17.506 30.028
35 HB3 MET 4 HB3 MET 4 28.388 17.672 30.560
36 HG2 MET 4 HG2 MET 4 27.404 18.868 32.631
37 HG3 MET 4 HG3 MET 4 25.845 18.292 32.086
38 HE1 MET 4 HE1 MET 4 29.340 17.340 33.544
39 HE2 MET 4 HE2 MET 4 29.250 15.570 33.668
40 HE3 MET 4 HE3 MET 4 29.384 16.330 32.076
41 H ALA 5 H ALA 5 28.774 21.305 28.868
42 HA ALA 5 HA ALA 5 29.017 22.099 26.799
43 HB1 ALA 5 HB1 ALA 5 30.145 20.616 25.233
44 HB2 ALA 5 HB2 ALA 5 30.703 20.302 26.888
45 HB3 ALA 5 HB3 ALA 5 29.546 19.195 26.106
46 H LYS 6 H LYS 6 26.166 20.748 27.295
47 HA LYS 6 HA LYS 6 25.200 21.146 24.497
48 HB2 LYS 6 HB2 LYS 6 24.497 19.092 26.603
49 HB3 LYS 6 HB3 LYS 6 23.354 19.496 25.305
50 HG2 LYS 6 HG2 LYS 6 25.082 18.972 23.616
51 HG3 LYS 6 HG3 LYS 6 26.205 18.498 24.904
52 HD2 LYS 6 HD2 LYS 6 24.613 16.730 25.629
53 HD3 LYS 6 HD3 LYS 6 23.513 17.173 24.317
54 HE2 LYS 6 HE2 LYS 6 26.378 16.177 23.982
55 HE3 LYS 6 HE3 LYS 6 24.928 15.173 23.826
56 HZ1 LYS 6 HZ1 LYS 6 25.741 17.413 22.071
57 HZ2 LYS 6 HZ2 LYS 6 25.596 15.852 21.630
58 HZ3 LYS 6 HZ3 LYS 6 24.250 16.755 21.991
59 H ASN 7 H ASN 7 25.445 22.989 26.902
60 HA ASN 7 HA ASN 7 23.010 24.438 26.174
61 HB2 ASN 7 HB2 ASN 7 23.579 23.736 29.061
62 HB3 ASN 7 HB3 ASN 7 22.879 25.292 28.675
63 HD21 ASN 7 HD21 ASN 7 22.288 21.818 27.997
64 HD22 ASN 7 HD22 ASN 7 20.536 22.001 28.047
65 H GLN 8 H GLN 8 26.230 24.420 27.666
66 HA GLN 8 HA GLN 8 26.432 27.331 27.703
67 HB2 GLN 8 HB2 GLN 8 28.680 26.914 28.662
68 HB3 GLN 8 HB3 GLN 8 27.336 26.271 29.575
69 HG2 GLN 8 HG2 GLN 8 28.678 24.415 27.588
70 HG3 GLN 8 HG3 GLN 8 29.553 24.833 29.056
71 HE21 GLN 8 HE21 GLN 8 28.565 24.488 31.109
72 HE22 GLN 8 HE22 GLN 8 27.393 23.182 31.303
73 H PHE 9 H PHE 9 26.019 26.397 25.113
74 HA PHE 9 HA PHE 9 26.739 26.606 22.973
75 HB2 PHE 9 HB2 PHE 9 29.006 28.337 24.007
76 HB3 PHE 9 HB3 PHE 9 28.279 28.358 22.404
77 HD1 PHE 9 HD1 PHE 9 26.141 29.446 21.951
78 HD2 PHE 9 HD2 PHE 9 27.748 29.299 25.939
79 HE1 PHE 9 HE1 PHE 9 24.378 31.018 22.728
80 HE2 PHE 9 HE2 PHE 9 26.007 30.893 26.703
81 HZ PHE 9 HZ PHE 9 24.310 31.726 25.104
82 H GLY 10 H GLY 10 28.145 24.557 24.868
83 HA2 GLY 10 HA2 GLY 10 29.652 22.811 24.506
84 HA3 GLY 10 HA3 GLY 10 30.085 23.495 22.946
85 H CYS 11 H CYS 11 30.490 25.896 25.446
86 HA CYS 11 HA CYS 11 33.381 25.220 25.657
87 HB2 CYS 11 HB2 CYS 11 33.933 27.479 25.749
88 HB3 CYS 11 HB3 CYS 11 33.081 27.164 24.253
89 H PHE 12 H PHE 12 34.359 25.135 27.496
90 HA PHE 12 HA PHE 12 33.028 26.013 29.945
91 HB2 PHE 12 HB2 PHE 12 32.731 23.884 30.953
92 HB3 PHE 12 HB3 PHE 12 31.913 23.853 29.416
93 HD1 PHE 12 HD1 PHE 12 34.193 22.168 31.562
94 HD2 PHE 12 HD2 PHE 12 33.241 22.733 27.389
95 HE1 PHE 12 HE1 PHE 12 35.278 20.027 31.028
96 HE2 PHE 12 HE2 PHE 12 34.321 20.570 26.853
97 HZ PHE 12 HZ PHE 12 35.335 19.199 28.667
98 H ALA 13 H ALA 13 34.387 25.236 31.935
99 HA ALA 13 HA ALA 13 36.264 25.564 33.114
100 HB1 ALA 13 HB1 ALA 13 37.527 23.845 30.966
101 HB2 ALA 13 HB2 ALA 13 38.134 24.099 32.617
102 HB3 ALA 13 HB3 ALA 13 36.594 23.248 32.362
103 H ASN 14 H ASN 14 35.695 27.739 31.445
104 HA ASN 14 HA ASN 14 36.392 29.490 30.397
105 HB2 ASN 14 HB2 ASN 14 37.534 29.570 32.764
106 HB3 ASN 14 HB3 ASN 14 39.029 29.504 31.832
107 HD21 ASN 14 HD21 ASN 14 38.704 31.160 29.744
108 HD22 ASN 14 HD22 ASN 14 38.109 32.748 30.259
109 H VAL 15 H VAL 15 36.923 27.040 28.878
110 HA VAL 15 HA VAL 15 39.314 27.809 27.269
111 HB VAL 15 HB VAL 15 37.592 25.320 27.054
112 HG11 VAL 15 HG11 VAL 15 40.353 26.001 25.940
113 HG12 VAL 15 HG12 VAL 15 39.599 24.396 25.871
114 HG13 VAL 15 HG13 VAL 15 38.873 25.729 24.992
115 HG21 VAL 15 HG21 VAL 15 40.260 25.700 28.482
116 HG22 VAL 15 HG22 VAL 15 38.710 25.274 29.235
117 HG23 VAL 15 HG23 VAL 15 39.487 24.129 28.156
118 H ASP 16 H ASP 16 38.941 27.782 24.852
119 HA ASP 16 HA ASP 16 36.293 28.904 24.131
120 HB2 ASP 16 HB2 ASP 16 38.034 30.735 24.159
121 HB3 ASP 16 HB3 ASP 16 39.049 29.775 23.088
122 H VAL 17 H VAL 17 36.160 26.783 24.312
123 HA VAL 17 HA VAL 17 37.230 24.794 22.678
124 HB VAL 17 HB VAL 17 34.459 24.841 23.869
125 HG11 VAL 17 HG11 VAL 17 36.575 22.640 23.675
126 HG12 VAL 17 HG12 VAL 17 34.956 22.459 24.380
127 HG13 VAL 17 HG13 VAL 17 35.120 22.764 22.672
128 HG21 VAL 17 HG21 VAL 17 36.973 24.225 25.411
129 HG22 VAL 17 HG22 VAL 17 35.888 25.632 25.724
130 HG23 VAL 17 HG23 VAL 17 35.330 23.988 26.009
131 H LYS 18 H LYS 18 36.037 23.480 21.077
132 HA LYS 18 HA LYS 18 35.772 24.897 18.715
133 HB2 LYS 18 HB2 LYS 18 34.788 22.094 19.392
134 HB3 LYS 18 HB3 LYS 18 34.911 22.730 17.759
135 HG2 LYS 18 HG2 LYS 18 37.216 22.244 19.674
136 HG3 LYS 18 HG3 LYS 18 36.814 21.329 18.225
137 HD2 LYS 18 HD2 LYS 18 37.836 24.180 18.365
138 HD3 LYS 18 HD3 LYS 18 38.691 22.763 17.748
139 HE2 LYS 18 HE2 LYS 18 37.030 22.581 15.897
140 HE3 LYS 18 HE3 LYS 18 36.182 24.003 16.527
141 HZ1 LYS 18 HZ1 LYS 18 38.946 23.946 15.474
142 HZ2 LYS 18 HZ2 LYS 18 37.626 24.670 14.782
143 HZ3 LYS 18 HZ3 LYS 18 38.259 25.273 16.174
144 H GLY 19 H GLY 19 32.991 24.262 20.795
145 HA2 GLY 19 HA2 GLY 19 30.962 24.875 18.918
146 HA3 GLY 19 HA3 GLY 19 30.902 25.174 20.655
147 H ASP 20 H ASP 20 33.406 27.013 20.048
148 HA ASP 20 HA ASP 20 33.807 29.238 19.934
149 HB2 ASP 20 HB2 ASP 20 32.470 28.773 17.278
150 HB3 ASP 20 HB3 ASP 20 33.310 30.254 17.718
151 H CYS 21 H CYS 21 32.522 29.914 21.738
152 HA CYS 21 HA CYS 21 29.860 30.806 21.452
153 HB2 CYS 21 HB2 CYS 21 31.175 30.391 23.615
154 HB3 CYS 21 HB3 CYS 21 31.918 31.963 23.372
155 H LYS 22 H LYS 22 32.794 32.439 20.599
156 HA LYS 22 HA LYS 22 32.291 35.029 19.947
157 HB2 LYS 22 HB2 LYS 22 34.283 33.656 19.326
158 HB3 LYS 22 HB3 LYS 22 33.322 32.771 18.161
159 HG2 LYS 22 HG2 LYS 22 34.606 34.234 16.874
160 HG3 LYS 22 HG3 LYS 22 33.000 34.933 16.862
161 HD2 LYS 22 HD2 LYS 22 34.592 36.672 17.087
162 HD3 LYS 22 HD3 LYS 22 33.791 36.540 18.666
163 HE2 LYS 22 HE2 LYS 22 35.680 35.324 19.581
164 HE3 LYS 22 HE3 LYS 22 36.438 35.173 17.991
165 HZ1 LYS 22 HZ1 LYS 22 36.975 37.440 17.989
166 HZ2 LYS 22 HZ2 LYS 22 35.920 37.833 19.184
167 HZ3 LYS 22 HZ3 LYS 22 37.273 36.979 19.539
168 H ARG 23 H ARG 23 30.844 32.248 18.201
169 HA ARG 23 HA ARG 23 29.481 33.784 16.155
170 HB2 ARG 23 HB2 ARG 23 29.014 30.932 17.154
171 HB3 ARG 23 HB3 ARG 23 28.424 31.619 15.643
172 HG2 ARG 23 HG2 ARG 23 30.814 31.989 14.945
173 HG3 ARG 23 HG3 ARG 23 31.340 31.148 16.406
174 HD2 ARG 23 HD2 ARG 23 29.625 29.968 14.193
175 HD3 ARG 23 HD3 ARG 23 31.361 29.704 14.443
176 HE ARG 23 HE ARG 23 29.930 28.988 16.821
177 HH11 ARG 23 HH11 ARG 23 30.613 27.662 13.594
178 HH12 ARG 23 HH12 ARG 23 30.260 26.045 14.131
179 HH21 ARG 23 HH21 ARG 23 29.692 26.915 17.404
180 HH22 ARG 23 HH22 ARG 23 29.777 25.626 16.216
181 H HIS 24 H HIS 24 28.355 32.459 19.268
182 HA HIS 24 HA HIS 24 25.575 33.236 18.965
183 HB2 HIS 24 HB2 HIS 24 25.928 31.731 20.703
184 HB3 HIS 24 HB3 HIS 24 27.402 32.510 21.256
185 HD2 HIS 24 HD2 HIS 24 27.181 33.671 23.494
186 HE1 HIS 24 HE1 HIS 24 23.075 34.793 23.395
187 HE2 HIS 24 HE2 HIS 24 25.205 34.871 24.777
188 H CYS 25 H CYS 25 28.360 34.873 20.525
189 HA CYS 25 HA CYS 25 26.844 37.260 21.029
190 HB2 CYS 25 HB2 CYS 25 29.770 36.525 21.169
191 HB3 CYS 25 HB3 CYS 25 29.194 38.138 21.586
192 H LYS 26 H LYS 26 28.749 36.330 18.178
193 HA LYS 26 HA LYS 26 28.887 38.842 16.883
194 HB2 LYS 26 HB2 LYS 26 29.928 36.771 15.993
195 HB3 LYS 26 HB3 LYS 26 28.346 36.098 15.692
196 HG2 LYS 26 HG2 LYS 26 29.248 36.722 13.634
197 HG3 LYS 26 HG3 LYS 26 27.922 37.815 13.949
198 HD2 LYS 26 HD2 LYS 26 30.869 38.514 14.292
199 HD3 LYS 26 HD3 LYS 26 29.924 38.798 12.835
200 HE2 LYS 26 HE2 LYS 26 28.338 40.209 14.276
201 HE3 LYS 26 HE3 LYS 26 29.578 40.125 15.540
202 HZ1 LYS 26 HZ1 LYS 26 31.140 41.100 13.892
203 HZ2 LYS 26 HZ2 LYS 26 29.903 41.271 12.826
204 HZ3 LYS 26 HZ3 LYS 26 29.869 42.108 14.239
205 H ALA 27 H ALA 27 26.019 36.806 17.386
206 HA ALA 27 HA ALA 27 24.298 38.086 15.482
207 HB1 ALA 27 HB1 ALA 27 23.894 35.899 16.637
208 HB2 ALA 27 HB2 ALA 27 23.604 36.801 18.148
209 HB3 ALA 27 HB3 ALA 27 22.520 37.024 16.760
210 H GLU 28 H GLU 28 25.440 39.134 18.634
211 HA GLU 28 HA GLU 28 23.613 41.492 18.625
212 HB2 GLU 28 HB2 GLU 28 25.247 40.572 20.988
213 HB3 GLU 28 HB3 GLU 28 23.857 41.664 20.915
214 HG2 GLU 28 HG2 GLU 28 22.648 39.425 20.006
215 HG3 GLU 28 HG3 GLU 28 23.954 38.656 20.892
216 H ASP 29 H ASP 29 26.310 40.886 17.212
217 HA ASP 29 HA ASP 29 28.271 41.787 16.716
218 HB2 ASP 29 HB2 ASP 29 26.641 43.572 15.999
219 HB3 ASP 29 HB3 ASP 29 27.128 44.493 17.426
220 H LYS 30 H LYS 30 28.287 40.639 19.156
221 HA LYS 30 HA LYS 30 30.239 42.245 20.764
222 HB2 LYS 30 HB2 LYS 30 28.344 40.049 21.672
223 HB3 LYS 30 HB3 LYS 30 29.514 40.896 22.686
224 HG2 LYS 30 HG2 LYS 30 27.097 42.112 21.346
225 HG3 LYS 30 HG3 LYS 30 27.223 41.655 23.037
226 HD2 LYS 30 HD2 LYS 30 28.990 43.289 23.421
227 HD3 LYS 30 HD3 LYS 30 29.014 43.741 21.710
228 HE2 LYS 30 HE2 LYS 30 26.549 44.006 23.457
229 HE3 LYS 30 HE3 LYS 30 27.724 45.297 23.210
230 HZ1 LYS 30 HZ1 LYS 30 27.275 45.223 20.840
231 HZ2 LYS 30 HZ2 LYS 30 26.217 43.996 20.997
232 HZ3 LYS 30 HZ3 LYS 30 25.882 45.479 21.664
233 H GLU 31 H GLU 31 31.778 41.045 21.980
234 HA GLU 31 HA GLU 31 33.023 38.682 20.676
235 HB2 GLU 31 HB2 GLU 31 33.661 40.215 23.227
236 HB3 GLU 31 HB3 GLU 31 34.620 38.882 22.614
237 HG2 GLU 31 HG2 GLU 31 34.157 41.396 20.951
238 HG3 GLU 31 HG3 GLU 31 35.461 41.243 22.124
239 H GLY 32 H GLY 32 33.265 36.636 21.840
240 HA2 GLY 32 HA2 GLY 32 31.106 36.084 23.858
241 HA3 GLY 32 HA3 GLY 32 31.684 34.916 22.682
242 H ILE 33 H ILE 33 31.831 35.663 25.880
243 HA ILE 33 HA ILE 33 34.528 34.489 26.217
244 HB ILE 33 HB ILE 33 34.542 35.616 28.509
245 HG12 ILE 33 HG12 ILE 33 33.778 38.060 28.279
246 HG13 ILE 33 HG13 ILE 33 32.636 37.477 27.068
247 HG21 ILE 33 HG21 ILE 33 36.152 35.928 26.657
248 HG22 ILE 33 HG22 ILE 33 35.087 37.152 25.931
249 HG23 ILE 33 HG23 ILE 33 35.856 37.450 27.507
250 HD11 ILE 33 HD11 ILE 33 32.816 36.408 29.924
251 HD12 ILE 33 HD12 ILE 33 31.734 37.733 29.429
252 HD13 ILE 33 HD13 ILE 33 31.519 36.117 28.761
253 H CYS 34 H CYS 34 34.311 32.512 26.571
254 HA CYS 34 HA CYS 34 32.317 31.309 28.311
255 HB2 CYS 34 HB2 CYS 34 34.937 30.191 27.234
256 HB3 CYS 34 HB3 CYS 34 33.564 29.257 27.827
257 H HIS 35 H HIS 35 32.459 32.340 30.302
258 HA HIS 35 HA HIS 35 35.057 32.920 31.491
259 HB2 HIS 35 HB2 HIS 35 33.782 34.299 33.041
260 HB3 HIS 35 HB3 HIS 35 33.303 34.594 31.384
261 HD2 HIS 35 HD2 HIS 35 30.801 34.481 30.844
262 HE1 HIS 35 HE1 HIS 35 29.382 32.518 34.369
263 HE2 HIS 35 HE2 HIS 35 28.659 33.605 32.224
264 H GLY 36 H GLY 36 33.553 30.134 31.627
265 HA2 GLY 36 HA2 GLY 36 35.019 28.912 33.684
266 HA3 GLY 36 HA3 GLY 36 33.469 29.378 34.401
267 H THR 37 H THR 37 32.093 27.583 34.335
268 HA THR 37 HA THR 37 32.099 25.775 31.989
269 HB THR 37 HB THR 37 30.278 24.582 33.156
270 HG1 THR 37 HG1 THR 37 30.925 26.195 35.375
271 HG21 THR 37 HG21 THR 37 32.822 24.952 34.781
272 HG22 THR 37 HG22 THR 37 31.661 23.616 34.917
273 HG23 THR 37 HG23 THR 37 32.579 23.830 33.421
274 H LYS 38 H LYS 38 30.769 28.756 32.550
275 HA LYS 38 HA LYS 38 28.581 28.337 30.546
276 HB2 LYS 38 HB2 LYS 38 28.747 30.516 32.652
277 HB3 LYS 38 HB3 LYS 38 27.368 30.111 31.647
278 HG2 LYS 38 HG2 LYS 38 28.505 28.406 33.917
279 HG3 LYS 38 HG3 LYS 38 27.081 29.428 33.982
280 HD2 LYS 38 HD2 LYS 38 25.966 28.048 32.269
281 HD3 LYS 38 HD3 LYS 38 27.353 26.956 32.208
282 HE2 LYS 38 HE2 LYS 38 25.822 27.589 34.761
283 HE3 LYS 38 HE3 LYS 38 25.368 26.263 33.683
284 HZ1 LYS 38 HZ1 LYS 38 27.546 25.234 34.112
285 HZ2 LYS 38 HZ2 LYS 38 27.965 26.477 35.122
286 HZ3 LYS 38 HZ3 LYS 38 26.720 25.485 35.481
287 H CYS 39 H CYS 39 28.116 30.283 29.226
288 HA CYS 39 HA CYS 39 30.479 32.071 28.805
289 HB2 CYS 39 HB2 CYS 39 30.207 30.398 26.936
290 HB3 CYS 39 HB3 CYS 39 28.612 31.100 26.656
291 H LYS 40 H LYS 40 30.138 34.160 28.249
292 HA LYS 40 HA LYS 40 27.409 35.291 28.013
293 HB2 LYS 40 HB2 LYS 40 29.489 36.096 30.094
294 HB3 LYS 40 HB3 LYS 40 28.277 37.219 29.539
295 HG2 LYS 40 HG2 LYS 40 26.464 35.626 30.223
296 HG3 LYS 40 HG3 LYS 40 27.699 34.510 30.801
297 HD2 LYS 40 HD2 LYS 40 26.949 35.631 32.740
298 HD3 LYS 40 HD3 LYS 40 28.517 36.352 32.356
299 HE2 LYS 40 HE2 LYS 40 27.198 38.198 31.147
300 HE3 LYS 40 HE3 LYS 40 25.727 37.474 31.820
301 HZ1 LYS 40 HZ1 LYS 40 26.524 39.212 33.284
302 HZ2 LYS 40 HZ2 LYS 40 26.773 37.785 34.059
303 HZ3 LYS 40 HZ3 LYS 40 28.023 38.565 33.350
304 H CYS 41 H CYS 41 27.688 37.709 27.249
305 HA CYS 41 HA CYS 41 29.869 37.703 25.232
306 HB2 CYS 41 HB2 CYS 41 27.676 39.739 25.537
307 HB3 CYS 41 HB3 CYS 41 28.913 39.682 24.309
308 H GLY 42 H GLY 42 31.301 39.379 24.930
309 HA2 GLY 42 HA2 GLY 42 32.411 40.414 27.489
310 HA3 GLY 42 HA3 GLY 42 33.276 40.237 25.957
311 H VAL 43 H VAL 43 33.142 41.843 24.420
312 HA VAL 43 HA VAL 43 31.778 44.371 25.088
313 HB VAL 43 HB VAL 43 33.852 45.525 24.226
314 HG11 VAL 43 HG11 VAL 43 34.453 43.652 26.540
315 HG12 VAL 43 HG12 VAL 43 35.320 45.144 26.129
316 HG13 VAL 43 HG13 VAL 43 33.632 45.230 26.639
317 HG21 VAL 43 HG21 VAL 43 34.734 43.707 22.789
318 HG22 VAL 43 HG22 VAL 43 35.934 44.332 23.919
319 HG23 VAL 43 HG23 VAL 43 35.155 42.777 24.246
320 HA PRO 44 HA PRO 44 30.585 44.779 20.716
321 HB2 PRO 44 HB2 PRO 44 32.125 47.380 20.858
322 HB3 PRO 44 HB3 PRO 44 30.508 47.082 20.175
323 HG2 PRO 44 HG2 PRO 44 30.743 48.237 22.592
324 HG3 PRO 44 HG3 PRO 44 29.510 46.960 22.323
325 HD2 PRO 44 HD2 PRO 44 32.206 46.703 23.674
326 HD3 PRO 44 HD3 PRO 44 30.633 45.994 24.110
327 H ILE 45 H ILE 45 31.582 44.042 18.827
328 HA ILE 45 HA ILE 45 34.364 43.281 18.944
329 HB ILE 45 HB ILE 45 34.117 42.434 16.726
330 HG12 ILE 45 HG12 ILE 45 31.652 42.733 15.720
331 HG13 ILE 45 HG13 ILE 45 31.723 44.266 16.545
332 HG21 ILE 45 HG21 ILE 45 32.337 40.853 17.048
333 HG22 ILE 45 HG22 ILE 45 33.095 41.182 18.610
334 HG23 ILE 45 HG23 ILE 45 31.520 41.912 18.211
335 HD11 ILE 45 HD11 ILE 45 33.732 44.891 15.207
336 HD12 ILE 45 HD12 ILE 45 33.792 43.258 14.526
337 HD13 ILE 45 HD13 ILE 45 32.438 44.335 14.137
338 H SER 46 H SER 46 32.800 46.198 17.779
339 HA SER 46 HA SER 46 35.114 47.279 16.435
340 HB2 SER 46 HB2 SER 46 32.677 48.574 17.715
341 HB3 SER 46 HB3 SER 46 33.900 49.433 16.780
342 HG SER 46 HG SER 46 33.431 47.833 15.065
343 H TYR 47 H TYR 47 36.917 47.057 17.645
344 HA TYR 47 HA TYR 47 37.045 47.503 20.460
345 HB2 TYR 47 HB2 TYR 47 39.351 47.226 18.532
346 HB3 TYR 47 HB3 TYR 47 39.359 46.892 20.260
347 HD1 TYR 47 HD1 TYR 47 37.300 45.142 20.953
348 HD2 TYR 47 HD2 TYR 47 39.472 45.318 17.228
349 HE1 TYR 47 HE1 TYR 47 36.878 42.722 20.599
350 HE2 TYR 47 HE2 TYR 47 39.012 42.903 16.858
351 HH TYR 47 HH TYR 47 37.333 40.883 19.293
352 H LEU 48 H LEU 48 36.639 49.974 18.505
353 HA LEU 48 HA LEU 48 38.697 51.827 19.010
354 HB2 LEU 48 HB2 LEU 48 36.864 51.632 17.209
355 HB3 LEU 48 HB3 LEU 48 35.769 52.339 18.379
356 HG LEU 48 HG LEU 48 36.572 53.853 16.707
357 HD11 LEU 48 HD11 LEU 48 37.200 55.741 18.107
358 HD12 LEU 48 HD12 LEU 48 35.976 54.758 18.936
359 HD13 LEU 48 HD13 LEU 48 37.684 54.656 19.422
360 HD21 LEU 48 HD21 LEU 48 38.854 52.903 16.383
361 HD22 LEU 48 HD22 LEU 48 38.848 54.667 16.562
362 HD23 LEU 48 HD23 LEU 48 39.356 53.645 17.920
Start of MODEL 14
1 H1 VAL 1 H1 VAL 1 17.207 18.346 28.158
2 H2 VAL 1 H2 VAL 1 17.325 18.258 26.534
3 H3 VAL 1 H3 VAL 1 17.424 19.727 27.296
4 HA VAL 1 HA VAL 1 19.329 17.502 27.546
5 HB VAL 1 HB VAL 1 20.991 18.940 26.471
6 HG11 VAL 1 HG11 VAL 1 18.536 18.531 24.703
7 HG12 VAL 1 HG12 VAL 1 20.224 18.671 24.184
8 HG13 VAL 1 HG13 VAL 1 19.721 17.279 25.147
9 HG21 VAL 1 HG21 VAL 1 20.032 21.181 26.903
10 HG22 VAL 1 HG22 VAL 1 20.375 20.924 25.197
11 HG23 VAL 1 HG23 VAL 1 18.705 20.842 25.770
12 H HIS 2 H HIS 2 21.212 17.913 28.780
13 HA HIS 2 HA HIS 2 20.735 19.526 31.202
14 HB2 HIS 2 HB2 HIS 2 22.734 18.351 32.027
15 HB3 HIS 2 HB3 HIS 2 21.495 17.263 31.435
16 HD2 HIS 2 HD2 HIS 2 23.050 15.252 30.886
17 HE1 HIS 2 HE1 HIS 2 25.477 17.086 27.910
18 HE2 HIS 2 HE2 HIS 2 24.891 14.874 29.057
19 H LYS 3 H LYS 3 23.006 20.443 32.109
20 HA LYS 3 HA LYS 3 23.805 22.553 30.158
21 HB2 LYS 3 HB2 LYS 3 24.254 22.752 33.136
22 HB3 LYS 3 HB3 LYS 3 24.163 24.033 31.942
23 HG2 LYS 3 HG2 LYS 3 21.858 22.404 33.094
24 HG3 LYS 3 HG3 LYS 3 22.287 24.066 33.476
25 HD2 LYS 3 HD2 LYS 3 21.746 24.743 31.132
26 HD3 LYS 3 HD3 LYS 3 21.215 23.066 30.816
27 HE2 LYS 3 HE2 LYS 3 19.587 23.238 32.684
28 HE3 LYS 3 HE3 LYS 3 20.089 24.907 32.969
29 HZ1 LYS 3 HZ1 LYS 3 18.853 23.925 30.438
30 HZ2 LYS 3 HZ2 LYS 3 18.073 24.770 31.604
31 HZ3 LYS 3 HZ3 LYS 3 19.273 25.484 30.762
32 H MET 4 H MET 4 25.036 20.254 29.611
33 HA MET 4 HA MET 4 27.824 20.622 30.630
34 HB2 MET 4 HB2 MET 4 26.613 17.868 30.283
35 HB3 MET 4 HB3 MET 4 28.212 18.305 30.881
36 HG2 MET 4 HG2 MET 4 27.020 19.597 32.728
37 HG3 MET 4 HG3 MET 4 25.531 18.812 32.205
38 HE1 MET 4 HE1 MET 4 24.838 16.418 32.700
39 HE2 MET 4 HE2 MET 4 26.129 15.831 31.624
40 HE3 MET 4 HE3 MET 4 25.928 15.128 33.244
41 H ALA 5 H ALA 5 28.477 21.655 28.906
42 HA ALA 5 HA ALA 5 28.825 22.356 26.824
43 HB1 ALA 5 HB1 ALA 5 29.798 20.651 25.251
44 HB2 ALA 5 HB2 ALA 5 30.520 20.727 26.864
45 HB3 ALA 5 HB3 ALA 5 29.397 19.416 26.445
46 H LYS 6 H LYS 6 25.906 21.114 27.341
47 HA LYS 6 HA LYS 6 25.023 21.295 24.484
48 HB2 LYS 6 HB2 LYS 6 23.868 19.781 26.855
49 HB3 LYS 6 HB3 LYS 6 22.938 20.120 25.385
50 HG2 LYS 6 HG2 LYS 6 24.820 19.091 24.035
51 HG3 LYS 6 HG3 LYS 6 25.522 18.536 25.568
52 HD2 LYS 6 HD2 LYS 6 23.519 17.202 26.031
53 HD3 LYS 6 HD3 LYS 6 22.715 17.845 24.580
54 HE2 LYS 6 HE2 LYS 6 24.483 16.872 23.145
55 HE3 LYS 6 HE3 LYS 6 25.304 16.232 24.581
56 HZ1 LYS 6 HZ1 LYS 6 23.939 14.541 23.544
57 HZ2 LYS 6 HZ2 LYS 6 23.336 14.886 25.024
58 HZ3 LYS 6 HZ3 LYS 6 22.579 15.446 23.676
59 H ASN 7 H ASN 7 25.316 23.331 26.949
60 HA ASN 7 HA ASN 7 23.070 24.983 25.894
61 HB2 ASN 7 HB2 ASN 7 23.666 24.285 28.767
62 HB3 ASN 7 HB3 ASN 7 23.231 25.951 28.427
63 HD21 ASN 7 HD21 ASN 7 20.315 23.173 28.143
64 HD22 ASN 7 HD22 ASN 7 21.964 22.587 28.271
65 H GLN 8 H GLN 8 26.322 24.809 27.127
66 HA GLN 8 HA GLN 8 26.728 27.713 27.073
67 HB2 GLN 8 HB2 GLN 8 28.888 27.161 28.173
68 HB3 GLN 8 HB3 GLN 8 27.447 26.723 29.044
69 HG2 GLN 8 HG2 GLN 8 28.744 24.622 27.274
70 HG3 GLN 8 HG3 GLN 8 29.514 25.043 28.801
71 HE21 GLN 8 HE21 GLN 8 28.386 24.829 30.755
72 HE22 GLN 8 HE22 GLN 8 27.065 23.666 30.890
73 H PHE 9 H PHE 9 26.373 26.229 24.522
74 HA PHE 9 HA PHE 9 27.274 26.254 22.418
75 HB2 PHE 9 HB2 PHE 9 29.320 28.265 23.391
76 HB3 PHE 9 HB3 PHE 9 28.636 28.102 21.775
77 HD1 PHE 9 HD1 PHE 9 26.256 28.739 21.294
78 HD2 PHE 9 HD2 PHE 9 28.098 29.509 25.114
79 HE1 PHE 9 HE1 PHE 9 24.366 30.229 21.913
80 HE2 PHE 9 HE2 PHE 9 26.199 30.995 25.729
81 HZ PHE 9 HZ PHE 9 24.329 31.339 24.134
82 H GLY 10 H GLY 10 28.289 24.383 24.405
83 HA2 GLY 10 HA2 GLY 10 29.814 22.658 24.499
84 HA3 GLY 10 HA3 GLY 10 30.531 23.222 22.995
85 H CYS 11 H CYS 11 30.704 25.871 25.211
86 HA CYS 11 HA CYS 11 33.541 25.207 25.579
87 HB2 CYS 11 HB2 CYS 11 34.012 27.503 25.695
88 HB3 CYS 11 HB3 CYS 11 33.201 27.127 24.190
89 H PHE 12 H PHE 12 34.441 24.944 27.442
90 HA PHE 12 HA PHE 12 33.106 25.920 29.865
91 HB2 PHE 12 HB2 PHE 12 32.690 23.844 30.887
92 HB3 PHE 12 HB3 PHE 12 32.025 23.701 29.283
93 HD1 PHE 12 HD1 PHE 12 34.193 22.264 31.744
94 HD2 PHE 12 HD2 PHE 12 33.585 22.491 27.479
95 HE1 PHE 12 HE1 PHE 12 35.638 20.287 31.433
96 HE2 PHE 12 HE2 PHE 12 35.019 20.485 27.185
97 HZ PHE 12 HZ PHE 12 36.067 19.396 29.158
98 H ALA 13 H ALA 13 34.386 25.125 31.894
99 HA ALA 13 HA ALA 13 36.229 25.381 33.143
100 HB1 ALA 13 HB1 ALA 13 37.513 23.585 31.073
101 HB2 ALA 13 HB2 ALA 13 38.039 23.823 32.755
102 HB3 ALA 13 HB3 ALA 13 36.484 23.045 32.425
103 H ASN 14 H ASN 14 35.816 27.550 31.392
104 HA ASN 14 HA ASN 14 36.663 29.171 30.201
105 HB2 ASN 14 HB2 ASN 14 37.379 29.475 32.656
106 HB3 ASN 14 HB3 ASN 14 39.025 29.253 32.064
107 HD21 ASN 14 HD21 ASN 14 37.910 32.782 32.111
108 HD22 ASN 14 HD22 ASN 14 37.953 31.494 33.315
109 H VAL 15 H VAL 15 36.958 27.142 28.691
110 HA VAL 15 HA VAL 15 39.464 27.727 27.172
111 HB VAL 15 HB VAL 15 37.764 25.213 26.957
112 HG11 VAL 15 HG11 VAL 15 39.746 24.323 25.729
113 HG12 VAL 15 HG12 VAL 15 38.981 25.657 24.883
114 HG13 VAL 15 HG13 VAL 15 40.482 25.933 25.795
115 HG21 VAL 15 HG21 VAL 15 40.454 25.628 28.358
116 HG22 VAL 15 HG22 VAL 15 38.925 25.168 29.140
117 HG23 VAL 15 HG23 VAL 15 39.713 24.048 28.035
118 H ASP 16 H ASP 16 39.033 27.748 24.803
119 HA ASP 16 HA ASP 16 36.341 28.824 24.133
120 HB2 ASP 16 HB2 ASP 16 38.025 30.680 24.218
121 HB3 ASP 16 HB3 ASP 16 39.060 29.793 23.103
122 H VAL 17 H VAL 17 36.253 26.708 24.271
123 HA VAL 17 HA VAL 17 37.342 24.717 22.661
124 HB VAL 17 HB VAL 17 34.571 24.886 23.797
125 HG11 VAL 17 HG11 VAL 17 34.977 22.819 22.550
126 HG12 VAL 17 HG12 VAL 17 36.368 22.467 23.609
127 HG13 VAL 17 HG13 VAL 17 34.737 22.506 24.253
128 HG21 VAL 17 HG21 VAL 17 37.058 24.070 25.323
129 HG22 VAL 17 HG22 VAL 17 36.029 25.503 25.689
130 HG23 VAL 17 HG23 VAL 17 35.416 23.873 25.931
131 H LYS 18 H LYS 18 36.395 23.535 20.938
132 HA LYS 18 HA LYS 18 35.825 25.229 18.754
133 HB2 LYS 18 HB2 LYS 18 35.665 22.189 18.912
134 HB3 LYS 18 HB3 LYS 18 35.602 23.108 17.416
135 HG2 LYS 18 HG2 LYS 18 37.965 22.883 19.300
136 HG3 LYS 18 HG3 LYS 18 37.802 22.248 17.674
137 HD2 LYS 18 HD2 LYS 18 37.384 25.017 17.318
138 HD3 LYS 18 HD3 LYS 18 38.587 24.942 18.604
139 HE2 LYS 18 HE2 LYS 18 39.853 25.016 16.628
140 HE3 LYS 18 HE3 LYS 18 39.871 23.305 17.068
141 HZ1 LYS 18 HZ1 LYS 18 38.122 24.604 15.042
142 HZ2 LYS 18 HZ2 LYS 18 39.346 23.530 14.735
143 HZ3 LYS 18 HZ3 LYS 18 37.961 23.033 15.463
144 H GLY 19 H GLY 19 33.327 24.209 20.796
145 HA2 GLY 19 HA2 GLY 19 31.202 24.183 18.793
146 HA3 GLY 19 HA3 GLY 19 31.015 24.414 20.530
147 H ASP 20 H ASP 20 33.072 26.674 20.279
148 HA ASP 20 HA ASP 20 33.163 28.846 20.309
149 HB2 ASP 20 HB2 ASP 20 32.124 28.428 17.519
150 HB3 ASP 20 HB3 ASP 20 32.408 30.055 18.138
151 H CYS 21 H CYS 21 32.224 29.943 21.803
152 HA CYS 21 HA CYS 21 29.377 30.688 21.803
153 HB2 CYS 21 HB2 CYS 21 30.830 30.416 23.905
154 HB3 CYS 21 HB3 CYS 21 31.715 31.839 23.383
155 H LYS 22 H LYS 22 32.421 32.054 20.651
156 HA LYS 22 HA LYS 22 31.928 34.724 20.184
157 HB2 LYS 22 HB2 LYS 22 33.999 33.639 19.524
158 HB3 LYS 22 HB3 LYS 22 33.160 32.562 18.423
159 HG2 LYS 22 HG2 LYS 22 34.359 34.225 17.140
160 HG3 LYS 22 HG3 LYS 22 32.635 34.429 16.901
161 HD2 LYS 22 HD2 LYS 22 33.487 36.627 17.134
162 HD3 LYS 22 HD3 LYS 22 32.719 36.278 18.679
163 HE2 LYS 22 HE2 LYS 22 34.762 37.212 19.335
164 HE3 LYS 22 HE3 LYS 22 35.086 35.481 19.460
165 HZ1 LYS 22 HZ1 LYS 22 35.856 37.316 17.280
166 HZ2 LYS 22 HZ2 LYS 22 36.874 36.558 18.312
167 HZ3 LYS 22 HZ3 LYS 22 36.072 35.701 17.144
168 H ARG 23 H ARG 23 30.636 32.057 18.126
169 HA ARG 23 HA ARG 23 29.467 33.780 16.175
170 HB2 ARG 23 HB2 ARG 23 28.775 30.903 16.942
171 HB3 ARG 23 HB3 ARG 23 28.234 31.724 15.474
172 HG2 ARG 23 HG2 ARG 23 30.601 32.065 14.811
173 HG3 ARG 23 HG3 ARG 23 31.141 31.165 16.235
174 HD2 ARG 23 HD2 ARG 23 29.380 30.062 14.019
175 HD3 ARG 23 HD3 ARG 23 31.133 29.843 14.174
176 HE ARG 23 HE ARG 23 29.817 28.908 16.561
177 HH11 ARG 23 HH11 ARG 23 29.936 26.278 13.581
178 HH12 ARG 23 HH12 ARG 23 30.117 27.985 13.185
179 HH21 ARG 23 HH21 ARG 23 29.841 26.746 16.987
180 HH22 ARG 23 HH22 ARG 23 29.750 25.608 15.661
181 H HIS 24 H HIS 24 28.015 32.539 19.155
182 HA HIS 24 HA HIS 24 25.361 33.621 18.564
183 HB2 HIS 24 HB2 HIS 24 25.049 32.032 20.120
184 HB3 HIS 24 HB3 HIS 24 26.688 32.127 20.736
185 HD2 HIS 24 HD2 HIS 24 27.129 33.324 22.936
186 HE1 HIS 24 HE1 HIS 24 23.258 34.955 23.649
187 HE2 HIS 24 HE2 HIS 24 25.586 34.619 24.639
188 H CYS 25 H CYS 25 28.141 34.824 20.540
189 HA CYS 25 HA CYS 25 26.776 37.335 21.086
190 HB2 CYS 25 HB2 CYS 25 29.652 36.438 21.328
191 HB3 CYS 25 HB3 CYS 25 29.141 38.067 21.744
192 H LYS 26 H LYS 26 28.831 36.337 18.377
193 HA LYS 26 HA LYS 26 29.291 38.852 17.198
194 HB2 LYS 26 HB2 LYS 26 30.360 36.708 16.578
195 HB3 LYS 26 HB3 LYS 26 28.843 36.128 15.905
196 HG2 LYS 26 HG2 LYS 26 30.394 36.771 14.189
197 HG3 LYS 26 HG3 LYS 26 28.968 37.780 14.110
198 HD2 LYS 26 HD2 LYS 26 31.357 38.777 15.697
199 HD3 LYS 26 HD3 LYS 26 31.531 38.694 13.960
200 HE2 LYS 26 HE2 LYS 26 29.455 40.330 15.467
201 HE3 LYS 26 HE3 LYS 26 30.870 40.931 14.606
202 HZ1 LYS 26 HZ1 LYS 26 28.440 39.718 13.413
203 HZ2 LYS 26 HZ2 LYS 26 29.023 41.203 13.182
204 HZ3 LYS 26 HZ3 LYS 26 29.854 39.919 12.566
205 H ALA 27 H ALA 27 26.276 37.003 17.271
206 HA ALA 27 HA ALA 27 24.950 38.391 15.110
207 HB1 ALA 27 HB1 ALA 27 22.942 37.386 16.083
208 HB2 ALA 27 HB2 ALA 27 24.257 36.191 16.073
209 HB3 ALA 27 HB3 ALA 27 23.817 37.023 17.585
210 H GLU 28 H GLU 28 25.703 39.297 18.386
211 HA GLU 28 HA GLU 28 23.979 41.718 18.332
212 HB2 GLU 28 HB2 GLU 28 25.624 40.296 20.472
213 HB3 GLU 28 HB3 GLU 28 24.769 41.797 20.750
214 HG2 GLU 28 HG2 GLU 28 23.289 39.389 19.733
215 HG3 GLU 28 HG3 GLU 28 23.666 39.574 21.428
216 H ASP 29 H ASP 29 26.833 40.996 17.033
217 HA ASP 29 HA ASP 29 28.844 41.845 16.659
218 HB2 ASP 29 HB2 ASP 29 27.331 43.737 15.869
219 HB3 ASP 29 HB3 ASP 29 27.848 44.622 17.292
220 H LYS 30 H LYS 30 28.510 40.711 19.165
221 HA LYS 30 HA LYS 30 30.371 42.237 20.950
222 HB2 LYS 30 HB2 LYS 30 28.339 40.089 21.663
223 HB3 LYS 30 HB3 LYS 30 29.409 40.928 22.787
224 HG2 LYS 30 HG2 LYS 30 27.226 42.252 21.159
225 HG3 LYS 30 HG3 LYS 30 27.051 41.705 22.820
226 HD2 LYS 30 HD2 LYS 30 28.765 43.229 23.610
227 HD3 LYS 30 HD3 LYS 30 29.127 43.769 21.959
228 HE2 LYS 30 HE2 LYS 30 26.402 44.074 23.301
229 HE3 LYS 30 HE3 LYS 30 27.638 45.335 23.228
230 HZ1 LYS 30 HZ1 LYS 30 27.539 45.197 20.787
231 HZ2 LYS 30 HZ2 LYS 30 26.333 44.090 20.863
232 HZ3 LYS 30 HZ3 LYS 30 26.086 45.614 21.426
233 H GLU 31 H GLU 31 31.871 41.074 22.192
234 HA GLU 31 HA GLU 31 33.087 38.637 21.014
235 HB2 GLU 31 HB2 GLU 31 33.634 40.267 23.527
236 HB3 GLU 31 HB3 GLU 31 34.555 38.845 23.098
237 HG2 GLU 31 HG2 GLU 31 34.368 41.302 21.301
238 HG3 GLU 31 HG3 GLU 31 35.601 41.086 22.538
239 H GLY 32 H GLY 32 33.222 36.627 22.172
240 HA2 GLY 32 HA2 GLY 32 30.937 36.107 24.065
241 HA3 GLY 32 HA3 GLY 32 31.371 35.004 22.767
242 H ILE 33 H ILE 33 31.918 35.872 26.035
243 HA ILE 33 HA ILE 33 34.464 34.362 26.131
244 HB ILE 33 HB ILE 33 34.880 35.510 28.315
245 HG12 ILE 33 HG12 ILE 33 34.096 37.968 28.217
246 HG13 ILE 33 HG13 ILE 33 32.748 37.392 27.252
247 HG21 ILE 33 HG21 ILE 33 36.093 35.845 26.171
248 HG22 ILE 33 HG22 ILE 33 34.929 37.103 25.709
249 HG23 ILE 33 HG23 ILE 33 36.001 37.334 27.107
250 HD11 ILE 33 HD11 ILE 33 31.947 36.066 29.158
251 HD12 ILE 33 HD12 ILE 33 33.459 36.363 30.037
252 HD13 ILE 33 HD13 ILE 33 32.321 37.691 29.735
253 H CYS 34 H CYS 34 34.335 32.403 26.649
254 HA CYS 34 HA CYS 34 32.260 31.309 28.330
255 HB2 CYS 34 HB2 CYS 34 34.818 30.044 27.304
256 HB3 CYS 34 HB3 CYS 34 33.366 29.209 27.833
257 H HIS 35 H HIS 35 32.851 32.867 30.114
258 HA HIS 35 HA HIS 35 35.294 32.780 31.527
259 HB2 HIS 35 HB2 HIS 35 34.106 34.222 33.161
260 HB3 HIS 35 HB3 HIS 35 33.731 34.676 31.511
261 HD2 HIS 35 HD2 HIS 35 31.248 34.065 30.576
262 HE1 HIS 35 HE1 HIS 35 29.481 33.219 34.362
263 HE2 HIS 35 HE2 HIS 35 28.986 33.610 31.909
264 H GLY 36 H GLY 36 33.828 30.063 31.521
265 HA2 GLY 36 HA2 GLY 36 34.934 28.858 33.739
266 HA3 GLY 36 HA3 GLY 36 33.349 29.396 34.315
267 H THR 37 H THR 37 31.881 27.799 34.165
268 HA THR 37 HA THR 37 31.913 25.856 31.892
269 HB THR 37 HB THR 37 30.046 24.778 33.128
270 HG1 THR 37 HG1 THR 37 30.860 26.495 35.250
271 HG21 THR 37 HG21 THR 37 32.695 24.975 34.583
272 HG22 THR 37 HG22 THR 37 31.464 23.704 34.794
273 HG23 THR 37 HG23 THR 37 32.263 23.887 33.235
274 H LYS 38 H LYS 38 30.496 28.858 32.592
275 HA LYS 38 HA LYS 38 28.411 28.454 30.481
276 HB2 LYS 38 HB2 LYS 38 28.444 30.505 32.724
277 HB3 LYS 38 HB3 LYS 38 27.129 30.188 31.608
278 HG2 LYS 38 HG2 LYS 38 28.126 28.349 33.824
279 HG3 LYS 38 HG3 LYS 38 26.636 29.285 33.805
280 HD2 LYS 38 HD2 LYS 38 25.768 27.966 31.914
281 HD3 LYS 38 HD3 LYS 38 27.222 26.975 31.907
282 HE2 LYS 38 HE2 LYS 38 25.326 27.281 34.253
283 HE3 LYS 38 HE3 LYS 38 25.288 25.934 33.101
284 HZ1 LYS 38 HZ1 LYS 38 26.453 25.345 35.117
285 HZ2 LYS 38 HZ2 LYS 38 27.540 25.311 33.896
286 HZ3 LYS 38 HZ3 LYS 38 27.497 26.578 34.976
287 H CYS 39 H CYS 39 27.925 30.423 29.215
288 HA CYS 39 HA CYS 39 30.327 32.148 28.809
289 HB2 CYS 39 HB2 CYS 39 30.049 30.471 26.985
290 HB3 CYS 39 HB3 CYS 39 28.471 31.197 26.636
291 H LYS 40 H LYS 40 30.154 34.203 28.394
292 HA LYS 40 HA LYS 40 27.548 35.643 28.492
293 HB2 LYS 40 HB2 LYS 40 28.185 35.709 30.733
294 HB3 LYS 40 HB3 LYS 40 29.903 35.727 30.352
295 HG2 LYS 40 HG2 LYS 40 29.945 37.991 29.800
296 HG3 LYS 40 HG3 LYS 40 28.170 38.126 29.879
297 HD2 LYS 40 HD2 LYS 40 29.016 39.037 31.927
298 HD3 LYS 40 HD3 LYS 40 28.324 37.459 32.325
299 HE2 LYS 40 HE2 LYS 40 30.683 36.497 32.198
300 HE3 LYS 40 HE3 LYS 40 31.274 38.157 32.001
301 HZ1 LYS 40 HZ1 LYS 40 31.397 37.567 34.305
302 HZ2 LYS 40 HZ2 LYS 40 30.146 38.637 34.182
303 HZ3 LYS 40 HZ3 LYS 40 29.839 37.041 34.348
304 H CYS 41 H CYS 41 27.571 37.645 27.293
305 HA CYS 41 HA CYS 41 29.821 37.800 25.419
306 HB2 CYS 41 HB2 CYS 41 27.582 39.797 25.595
307 HB3 CYS 41 HB3 CYS 41 28.834 39.669 24.396
308 H GLY 42 H GLY 42 31.279 39.405 25.179
309 HA2 GLY 42 HA2 GLY 42 32.198 40.551 27.746
310 HA3 GLY 42 HA3 GLY 42 33.141 40.387 26.256
311 H VAL 43 H VAL 43 33.026 41.944 24.705
312 HA VAL 43 HA VAL 43 31.546 44.449 25.198
313 HB VAL 43 HB VAL 43 33.681 45.685 24.729
314 HG11 VAL 43 HG11 VAL 43 33.012 45.201 27.077
315 HG12 VAL 43 HG12 VAL 43 34.039 43.748 27.040
316 HG13 VAL 43 HG13 VAL 43 34.762 45.354 26.858
317 HG21 VAL 43 HG21 VAL 43 35.839 44.577 24.761
318 HG22 VAL 43 HG22 VAL 43 35.072 42.984 24.896
319 HG23 VAL 43 HG23 VAL 43 34.876 43.951 23.420
320 HA PRO 44 HA PRO 44 30.985 44.790 20.725
321 HB2 PRO 44 HB2 PRO 44 32.643 47.319 21.029
322 HB3 PRO 44 HB3 PRO 44 31.174 47.069 20.039
323 HG2 PRO 44 HG2 PRO 44 30.968 48.275 22.435
324 HG3 PRO 44 HG3 PRO 44 29.777 47.014 21.983
325 HD2 PRO 44 HD2 PRO 44 32.169 46.767 23.810
326 HD3 PRO 44 HD3 PRO 44 30.542 46.066 23.971
327 H ILE 45 H ILE 45 32.099 43.920 19.000
328 HA ILE 45 HA ILE 45 34.652 42.748 19.521
329 HB ILE 45 HB ILE 45 34.544 41.832 17.272
330 HG12 ILE 45 HG12 ILE 45 32.107 42.383 16.146
331 HG13 ILE 45 HG13 ILE 45 32.499 43.957 16.771
332 HG21 ILE 45 HG21 ILE 45 31.846 41.715 18.622
333 HG22 ILE 45 HG22 ILE 45 32.554 40.499 17.543
334 HG23 ILE 45 HG23 ILE 45 33.286 40.806 19.121
335 HD11 ILE 45 HD11 ILE 45 33.311 43.829 14.509
336 HD12 ILE 45 HD12 ILE 45 34.740 43.762 15.542
337 HD13 ILE 45 HD13 ILE 45 34.104 42.274 14.821
338 H SER 46 H SER 46 33.861 45.717 17.887
339 HA SER 46 HA SER 46 35.050 47.193 16.629
340 HB2 SER 46 HB2 SER 46 36.451 46.952 19.297
341 HB3 SER 46 HB3 SER 46 36.375 48.377 18.234
342 HG SER 46 HG SER 46 34.897 48.511 19.895
343 H TYR 47 H TYR 47 36.107 44.856 15.529
344 HA TYR 47 HA TYR 47 37.890 43.814 14.654
345 HB2 TYR 47 HB2 TYR 47 38.199 46.685 13.794
346 HB3 TYR 47 HB3 TYR 47 39.073 45.334 13.085
347 HD1 TYR 47 HD1 TYR 47 37.980 43.596 11.765
348 HD2 TYR 47 HD2 TYR 47 35.725 46.862 13.453
349 HE1 TYR 47 HE1 TYR 47 36.013 42.974 10.360
350 HE2 TYR 47 HE2 TYR 47 33.767 46.230 12.061
351 HH TYR 47 HH TYR 47 32.912 44.741 10.576
352 H LEU 48 H LEU 48 38.441 43.773 17.167
353 HA LEU 48 HA LEU 48 41.234 44.529 17.726
354 HB2 LEU 48 HB2 LEU 48 39.137 43.015 19.337
355 HB3 LEU 48 HB3 LEU 48 40.697 43.542 19.954
356 HG LEU 48 HG LEU 48 38.503 45.433 19.015
357 HD11 LEU 48 HD11 LEU 48 39.396 44.628 21.807
358 HD12 LEU 48 HD12 LEU 48 37.863 44.180 21.021
359 HD13 LEU 48 HD13 LEU 48 38.189 45.873 21.406
360 HD21 LEU 48 HD21 LEU 48 39.886 47.134 20.204
361 HD22 LEU 48 HD22 LEU 48 41.155 45.914 20.441
362 HD23 LEU 48 HD23 LEU 48 40.720 46.450 18.802
Start of MODEL 15
1 H1 VAL 1 H1 VAL 1 18.712 18.293 29.053
2 H2 VAL 1 H2 VAL 1 18.689 17.344 30.399
3 H3 VAL 1 H3 VAL 1 18.497 16.661 28.913
4 HA VAL 1 HA VAL 1 20.696 16.217 29.619
5 HB VAL 1 HB VAL 1 21.001 18.552 27.707
6 HG11 VAL 1 HG11 VAL 1 22.834 17.114 26.802
7 HG12 VAL 1 HG12 VAL 1 23.120 17.627 28.459
8 HG13 VAL 1 HG13 VAL 1 22.567 15.970 28.132
9 HG21 VAL 1 HG21 VAL 1 19.208 17.086 26.787
10 HG22 VAL 1 HG22 VAL 1 20.690 16.961 25.849
11 HG23 VAL 1 HG23 VAL 1 20.269 15.675 26.984
12 H HIS 2 H HIS 2 22.438 16.714 30.861
13 HA HIS 2 HA HIS 2 22.197 18.876 32.707
14 HB2 HIS 2 HB2 HIS 2 23.460 16.428 32.661
15 HB3 HIS 2 HB3 HIS 2 24.833 17.535 32.514
16 HD2 HIS 2 HD2 HIS 2 22.606 15.964 35.001
17 HE1 HIS 2 HE1 HIS 2 24.167 19.324 37.080
18 HE2 HIS 2 HE2 HIS 2 22.861 17.156 37.334
19 H LYS 3 H LYS 3 24.287 20.193 33.288
20 HA LYS 3 HA LYS 3 24.982 21.862 30.928
21 HB2 LYS 3 HB2 LYS 3 25.639 22.289 33.852
22 HB3 LYS 3 HB3 LYS 3 26.028 23.365 32.510
23 HG2 LYS 3 HG2 LYS 3 24.220 24.418 33.334
24 HG3 LYS 3 HG3 LYS 3 23.472 23.467 32.060
25 HD2 LYS 3 HD2 LYS 3 22.616 21.872 33.737
26 HD3 LYS 3 HD3 LYS 3 23.540 22.696 35.021
27 HE2 LYS 3 HE2 LYS 3 22.232 24.798 34.522
28 HE3 LYS 3 HE3 LYS 3 21.268 23.886 33.370
29 HZ1 LYS 3 HZ1 LYS 3 20.636 22.401 35.245
30 HZ2 LYS 3 HZ2 LYS 3 21.429 23.430 36.298
31 HZ3 LYS 3 HZ3 LYS 3 20.139 23.954 35.477
32 H MET 4 H MET 4 25.974 19.812 30.089
33 HA MET 4 HA MET 4 28.849 19.528 30.878
34 HB2 MET 4 HB2 MET 4 28.693 17.138 30.546
35 HB3 MET 4 HB3 MET 4 27.696 17.697 31.872
36 HG2 MET 4 HG2 MET 4 25.693 17.574 30.315
37 HG3 MET 4 HG3 MET 4 26.738 16.774 29.124
38 HE1 MET 4 HE1 MET 4 27.878 14.433 29.460
39 HE2 MET 4 HE2 MET 4 28.591 14.856 31.032
40 HE3 MET 4 HE3 MET 4 27.621 13.380 30.869
41 H ALA 5 H ALA 5 29.116 21.126 29.258
42 HA ALA 5 HA ALA 5 29.241 22.082 27.244
43 HB1 ALA 5 HB1 ALA 5 30.187 19.337 26.409
44 HB2 ALA 5 HB2 ALA 5 30.583 20.882 25.623
45 HB3 ALA 5 HB3 ALA 5 31.157 20.554 27.275
46 H LYS 6 H LYS 6 26.581 20.724 27.740
47 HA LYS 6 HA LYS 6 25.576 20.848 24.902
48 HB2 LYS 6 HB2 LYS 6 24.888 18.842 27.059
49 HB3 LYS 6 HB3 LYS 6 23.855 19.120 25.655
50 HG2 LYS 6 HG2 LYS 6 25.807 18.725 24.141
51 HG3 LYS 6 HG3 LYS 6 26.797 18.328 25.556
52 HD2 LYS 6 HD2 LYS 6 25.272 16.432 26.073
53 HD3 LYS 6 HD3 LYS 6 24.337 16.804 24.602
54 HE2 LYS 6 HE2 LYS 6 26.353 16.490 23.207
55 HE3 LYS 6 HE3 LYS 6 27.332 16.226 24.663
56 HZ1 LYS 6 HZ1 LYS 6 26.801 14.112 23.793
57 HZ2 LYS 6 HZ2 LYS 6 25.899 14.280 25.126
58 HZ3 LYS 6 HZ3 LYS 6 25.194 14.451 23.636
59 H ASN 7 H ASN 7 25.664 22.736 27.357
60 HA ASN 7 HA ASN 7 23.024 23.953 26.715
61 HB2 ASN 7 HB2 ASN 7 24.060 23.333 29.479
62 HB3 ASN 7 HB3 ASN 7 23.151 24.818 29.224
63 HD21 ASN 7 HD21 ASN 7 21.129 21.314 29.145
64 HD22 ASN 7 HD22 ASN 7 22.867 21.294 29.281
65 H GLN 8 H GLN 8 26.416 24.296 27.308
66 HA GLN 8 HA GLN 8 26.321 27.265 27.366
67 HB2 GLN 8 HB2 GLN 8 28.562 27.056 28.434
68 HB3 GLN 8 HB3 GLN 8 27.231 26.411 29.367
69 HG2 GLN 8 HG2 GLN 8 28.785 24.503 27.579
70 HG3 GLN 8 HG3 GLN 8 29.528 25.069 29.066
71 HE21 GLN 8 HE21 GLN 8 28.234 24.914 31.051
72 HE22 GLN 8 HE22 GLN 8 27.257 23.464 31.267
73 H PHE 9 H PHE 9 26.032 25.885 24.914
74 HA PHE 9 HA PHE 9 26.759 26.130 22.753
75 HB2 PHE 9 HB2 PHE 9 28.640 28.258 23.774
76 HB3 PHE 9 HB3 PHE 9 27.977 28.124 22.156
77 HD1 PHE 9 HD1 PHE 9 25.625 28.679 21.627
78 HD2 PHE 9 HD2 PHE 9 27.175 29.115 25.610
79 HE1 PHE 9 HE1 PHE 9 23.583 29.949 22.280
80 HE2 PHE 9 HE2 PHE 9 25.143 30.393 26.276
81 HZ PHE 9 HZ PHE 9 23.335 30.763 24.617
82 H GLY 10 H GLY 10 28.039 24.166 24.408
83 HA2 GLY 10 HA2 GLY 10 29.776 22.668 24.395
84 HA3 GLY 10 HA3 GLY 10 30.184 23.287 22.792
85 H CYS 11 H CYS 11 30.430 25.748 25.329
86 HA CYS 11 HA CYS 11 33.380 25.393 25.264
87 HB2 CYS 11 HB2 CYS 11 33.740 27.579 25.429
88 HB3 CYS 11 HB3 CYS 11 32.624 27.415 24.112
89 H PHE 12 H PHE 12 34.443 24.987 27.064
90 HA PHE 12 HA PHE 12 33.320 25.739 29.651
91 HB2 PHE 12 HB2 PHE 12 32.727 23.616 30.467
92 HB3 PHE 12 HB3 PHE 12 31.928 23.744 28.925
93 HD1 PHE 12 HD1 PHE 12 33.899 21.706 30.999
94 HD2 PHE 12 HD2 PHE 12 33.368 22.707 26.836
95 HE1 PHE 12 HE1 PHE 12 34.862 19.546 30.362
96 HE2 PHE 12 HE2 PHE 12 34.326 20.515 26.195
97 HZ PHE 12 HZ PHE 12 35.070 18.920 27.943
98 H ALA 13 H ALA 13 34.514 24.689 31.504
99 HA ALA 13 HA ALA 13 36.369 24.543 32.724
100 HB1 ALA 13 HB1 ALA 13 37.483 22.897 30.446
101 HB2 ALA 13 HB2 ALA 13 38.053 22.911 32.127
102 HB3 ALA 13 HB3 ALA 13 36.431 22.295 31.752
103 H ASN 14 H ASN 14 36.062 26.870 31.406
104 HA ASN 14 HA ASN 14 37.007 28.776 30.637
105 HB2 ASN 14 HB2 ASN 14 39.339 27.795 32.314
106 HB3 ASN 14 HB3 ASN 14 39.211 29.426 31.632
107 HD21 ASN 14 HD21 ASN 14 37.389 28.429 35.002
108 HD22 ASN 14 HD22 ASN 14 38.296 27.251 34.084
109 H VAL 15 H VAL 15 36.802 27.049 28.633
110 HA VAL 15 HA VAL 15 38.993 28.002 26.904
111 HB VAL 15 HB VAL 15 37.692 25.285 26.533
112 HG11 VAL 15 HG11 VAL 15 39.622 24.923 25.003
113 HG12 VAL 15 HG12 VAL 15 38.658 26.301 24.497
114 HG13 VAL 15 HG13 VAL 15 40.199 26.567 25.345
115 HG21 VAL 15 HG21 VAL 15 39.856 24.244 27.232
116 HG22 VAL 15 HG22 VAL 15 40.414 25.833 27.802
117 HG23 VAL 15 HG23 VAL 15 39.024 25.035 28.566
118 H ASP 16 H ASP 16 38.167 28.376 24.759
119 HA ASP 16 HA ASP 16 35.242 28.595 24.450
120 HB2 ASP 16 HB2 ASP 16 35.925 30.905 24.676
121 HB3 ASP 16 HB3 ASP 16 37.337 30.658 23.657
122 H VAL 17 H VAL 17 35.874 26.586 24.296
123 HA VAL 17 HA VAL 17 37.209 25.203 22.275
124 HB VAL 17 HB VAL 17 34.544 24.441 23.432
125 HG11 VAL 17 HG11 VAL 17 37.114 22.895 22.898
126 HG12 VAL 17 HG12 VAL 17 35.618 22.198 23.543
127 HG13 VAL 17 HG13 VAL 17 35.639 22.855 21.917
128 HG21 VAL 17 HG21 VAL 17 37.074 24.029 25.016
129 HG22 VAL 17 HG22 VAL 17 35.788 25.212 25.469
130 HG23 VAL 17 HG23 VAL 17 35.456 23.489 25.446
131 H LYS 18 H LYS 18 36.186 24.109 20.305
132 HA LYS 18 HA LYS 18 35.149 26.273 18.759
133 HB2 LYS 18 HB2 LYS 18 35.651 23.446 17.817
134 HB3 LYS 18 HB3 LYS 18 35.343 24.833 16.795
135 HG2 LYS 18 HG2 LYS 18 37.797 24.403 18.531
136 HG3 LYS 18 HG3 LYS 18 37.674 24.432 16.776
137 HD2 LYS 18 HD2 LYS 18 38.484 26.545 17.070
138 HD3 LYS 18 HD3 LYS 18 36.762 26.913 17.208
139 HE2 LYS 18 HE2 LYS 18 37.216 26.405 19.798
140 HE3 LYS 18 HE3 LYS 18 38.888 26.711 19.362
141 HZ1 LYS 18 HZ1 LYS 18 37.654 28.668 20.141
142 HZ2 LYS 18 HZ2 LYS 18 38.247 28.900 18.627
143 HZ3 LYS 18 HZ3 LYS 18 36.616 28.568 18.902
144 H GLY 19 H GLY 19 33.101 24.848 20.641
145 HA2 GLY 19 HA2 GLY 19 30.757 24.848 18.838
146 HA3 GLY 19 HA3 GLY 19 30.754 24.881 20.607
147 H ASP 20 H ASP 20 32.772 27.066 20.596
148 HA ASP 20 HA ASP 20 33.185 29.193 20.645
149 HB2 ASP 20 HB2 ASP 20 31.721 29.220 18.019
150 HB3 ASP 20 HB3 ASP 20 32.681 30.550 18.636
151 H CYS 21 H CYS 21 32.454 30.283 22.276
152 HA CYS 21 HA CYS 21 29.773 31.439 22.444
153 HB2 CYS 21 HB2 CYS 21 31.280 30.900 24.391
154 HB3 CYS 21 HB3 CYS 21 32.401 32.136 23.833
155 H LYS 22 H LYS 22 33.001 32.377 21.305
156 HA LYS 22 HA LYS 22 32.737 35.017 20.503
157 HB2 LYS 22 HB2 LYS 22 34.746 33.546 20.289
158 HB3 LYS 22 HB3 LYS 22 33.947 32.646 19.012
159 HG2 LYS 22 HG2 LYS 22 35.541 34.066 17.992
160 HG3 LYS 22 HG3 LYS 22 33.952 34.667 17.563
161 HD2 LYS 22 HD2 LYS 22 35.435 36.494 18.006
162 HD3 LYS 22 HD3 LYS 22 34.197 36.483 19.271
163 HE2 LYS 22 HE2 LYS 22 35.731 35.582 20.887
164 HE3 LYS 22 HE3 LYS 22 36.916 35.167 19.640
165 HZ1 LYS 22 HZ1 LYS 22 36.149 37.957 20.343
166 HZ2 LYS 22 HZ2 LYS 22 37.500 37.192 20.856
167 HZ3 LYS 22 HZ3 LYS 22 37.284 37.505 19.251
168 H ARG 23 H ARG 23 31.724 32.212 18.397
169 HA ARG 23 HA ARG 23 30.442 33.806 16.406
170 HB2 ARG 23 HB2 ARG 23 30.163 30.875 17.192
171 HB3 ARG 23 HB3 ARG 23 29.372 31.612 15.792
172 HG2 ARG 23 HG2 ARG 23 31.633 32.398 15.004
173 HG3 ARG 23 HG3 ARG 23 32.365 31.401 16.271
174 HD2 ARG 23 HD2 ARG 23 30.445 30.391 14.153
175 HD3 ARG 23 HD3 ARG 23 32.210 30.405 13.976
176 HE ARG 23 HE ARG 23 32.319 28.911 15.975
177 HH11 ARG 23 HH11 ARG 23 29.573 28.605 13.766
178 HH12 ARG 23 HH12 ARG 23 29.384 26.927 14.204
179 HH21 ARG 23 HH21 ARG 23 31.936 26.800 16.447
180 HH22 ARG 23 HH22 ARG 23 30.455 26.065 15.886
181 H HIS 24 H HIS 24 29.073 32.228 19.303
182 HA HIS 24 HA HIS 24 26.320 32.847 18.735
183 HB2 HIS 24 HB2 HIS 24 26.690 31.237 20.392
184 HB3 HIS 24 HB3 HIS 24 27.916 32.198 21.213
185 HD2 HIS 24 HD2 HIS 24 27.228 33.534 23.233
186 HE1 HIS 24 HE1 HIS 24 22.993 33.562 22.742
187 HE2 HIS 24 HE2 HIS 24 24.911 34.272 24.261
188 H CYS 25 H CYS 25 28.757 34.682 20.650
189 HA CYS 25 HA CYS 25 27.038 36.945 21.027
190 HB2 CYS 25 HB2 CYS 25 30.015 36.478 21.319
191 HB3 CYS 25 HB3 CYS 25 29.230 37.997 21.750
192 H LYS 26 H LYS 26 29.257 36.146 18.342
193 HA LYS 26 HA LYS 26 29.451 38.726 17.229
194 HB2 LYS 26 HB2 LYS 26 30.725 36.674 16.467
195 HB3 LYS 26 HB3 LYS 26 29.250 36.094 15.716
196 HG2 LYS 26 HG2 LYS 26 30.547 36.952 13.994
197 HG3 LYS 26 HG3 LYS 26 29.289 38.146 14.203
198 HD2 LYS 26 HD2 LYS 26 32.101 38.377 15.370
199 HD3 LYS 26 HD3 LYS 26 31.680 38.967 13.781
200 HE2 LYS 26 HE2 LYS 26 30.467 40.016 16.369
201 HE3 LYS 26 HE3 LYS 26 31.821 40.718 15.494
202 HZ1 LYS 26 HZ1 LYS 26 29.068 40.495 14.382
203 HZ2 LYS 26 HZ2 LYS 26 29.786 41.865 14.916
204 HZ3 LYS 26 HZ3 LYS 26 30.363 41.113 13.598
205 H ALA 27 H ALA 27 26.686 36.539 17.148
206 HA ALA 27 HA ALA 27 25.208 37.962 15.100
207 HB1 ALA 27 HB1 ALA 27 24.311 36.078 17.327
208 HB2 ALA 27 HB2 ALA 27 23.339 36.573 15.926
209 HB3 ALA 27 HB3 ALA 27 24.799 35.606 15.677
210 H GLU 28 H GLU 28 25.728 38.528 18.527
211 HA GLU 28 HA GLU 28 23.660 40.650 18.642
212 HB2 GLU 28 HB2 GLU 28 25.664 40.012 20.807
213 HB3 GLU 28 HB3 GLU 28 24.100 40.831 20.914
214 HG2 GLU 28 HG2 GLU 28 23.191 38.448 20.152
215 HG3 GLU 28 HG3 GLU 28 24.753 37.880 20.747
216 H ASP 29 H ASP 29 26.532 40.397 17.193
217 HA ASP 29 HA ASP 29 28.332 41.558 16.727
218 HB2 ASP 29 HB2 ASP 29 26.650 43.132 15.874
219 HB3 ASP 29 HB3 ASP 29 26.747 44.040 17.388
220 H LYS 30 H LYS 30 28.227 40.454 19.312
221 HA LYS 30 HA LYS 30 30.040 42.276 20.856
222 HB2 LYS 30 HB2 LYS 30 28.319 39.992 21.881
223 HB3 LYS 30 HB3 LYS 30 29.319 41.070 22.858
224 HG2 LYS 30 HG2 LYS 30 26.894 41.922 21.253
225 HG3 LYS 30 HG3 LYS 30 26.885 41.541 22.969
226 HD2 LYS 30 HD2 LYS 30 28.282 43.361 23.512
227 HD3 LYS 30 HD3 LYS 30 28.683 43.708 21.819
228 HE2 LYS 30 HE2 LYS 30 25.869 43.929 22.951
229 HE3 LYS 30 HE3 LYS 30 26.990 45.289 22.853
230 HZ1 LYS 30 HZ1 LYS 30 27.007 45.044 20.413
231 HZ2 LYS 30 HZ2 LYS 30 26.036 43.728 20.503
232 HZ3 LYS 30 HZ3 LYS 30 25.470 45.193 20.953
233 H GLU 31 H GLU 31 31.681 41.321 22.129
234 HA GLU 31 HA GLU 31 33.139 39.036 20.938
235 HB2 GLU 31 HB2 GLU 31 33.587 40.534 23.551
236 HB3 GLU 31 HB3 GLU 31 34.694 39.390 22.850
237 HG2 GLU 31 HG2 GLU 31 33.964 42.007 21.474
238 HG3 GLU 31 HG3 GLU 31 35.368 41.763 22.503
239 H GLY 32 H GLY 32 33.754 37.117 22.434
240 HA2 GLY 32 HA2 GLY 32 31.595 36.428 24.360
241 HA3 GLY 32 HA3 GLY 32 31.795 35.370 22.992
242 H ILE 33 H ILE 33 32.497 35.646 26.162
243 HA ILE 33 HA ILE 33 34.911 33.920 25.968
244 HB ILE 33 HB ILE 33 35.355 34.845 28.406
245 HG12 ILE 33 HG12 ILE 33 35.277 37.351 28.405
246 HG13 ILE 33 HG13 ILE 33 34.132 37.286 27.068
247 HG21 ILE 33 HG21 ILE 33 37.085 36.279 27.379
248 HG22 ILE 33 HG22 ILE 33 36.924 34.759 26.498
249 HG23 ILE 33 HG23 ILE 33 36.211 36.246 25.833
250 HD11 ILE 33 HD11 ILE 33 33.030 37.601 29.268
251 HD12 ILE 33 HD12 ILE 33 32.523 36.075 28.522
252 HD13 ILE 33 HD13 ILE 33 33.716 36.070 29.837
253 H CYS 34 H CYS 34 35.068 32.155 27.166
254 HA CYS 34 HA CYS 34 32.608 31.270 28.552
255 HB2 CYS 34 HB2 CYS 34 34.959 29.706 27.462
256 HB3 CYS 34 HB3 CYS 34 33.456 29.026 28.091
257 H HIS 35 H HIS 35 32.774 32.189 30.579
258 HA HIS 35 HA HIS 35 35.217 31.586 32.191
259 HB2 HIS 35 HB2 HIS 35 34.423 33.034 33.870
260 HB3 HIS 35 HB3 HIS 35 34.424 33.853 32.321
261 HD2 HIS 35 HD2 HIS 35 31.800 33.861 31.091
262 HE1 HIS 35 HE1 HIS 35 29.907 34.281 34.897
263 HE2 HIS 35 HE2 HIS 35 29.565 34.431 32.393
264 H GLY 36 H GLY 36 35.408 29.709 32.988
265 HA2 GLY 36 HA2 GLY 36 35.023 27.789 34.229
266 HA3 GLY 36 HA3 GLY 36 33.483 28.448 34.775
267 H THR 37 H THR 37 31.784 27.308 34.124
268 HA THR 37 HA THR 37 31.768 25.805 31.546
269 HB THR 37 HB THR 37 29.776 24.631 32.618
270 HG1 THR 37 HG1 THR 37 29.233 25.115 34.572
271 HG21 THR 37 HG21 THR 37 32.474 24.379 33.995
272 HG22 THR 37 HG22 THR 37 31.136 23.214 34.088
273 HG23 THR 37 HG23 THR 37 31.939 23.505 32.546
274 H LYS 38 H LYS 38 31.109 28.831 32.080
275 HA LYS 38 HA LYS 38 28.448 28.866 30.711
276 HB2 LYS 38 HB2 LYS 38 29.568 30.925 32.661
277 HB3 LYS 38 HB3 LYS 38 27.962 30.925 31.936
278 HG2 LYS 38 HG2 LYS 38 29.023 28.885 33.942
279 HG3 LYS 38 HG3 LYS 38 27.926 30.218 34.296
280 HD2 LYS 38 HD2 LYS 38 26.177 29.255 32.930
281 HD3 LYS 38 HD3 LYS 38 27.267 27.972 32.352
282 HE2 LYS 38 HE2 LYS 38 27.514 27.079 34.589
283 HE3 LYS 38 HE3 LYS 38 26.552 28.394 35.282
284 HZ1 LYS 38 HZ1 LYS 38 25.300 26.274 34.896
285 HZ2 LYS 38 HZ2 LYS 38 24.632 27.593 34.182
286 HZ3 LYS 38 HZ3 LYS 38 25.448 26.526 33.262
287 H CYS 39 H CYS 39 28.189 30.074 28.952
288 HA CYS 39 HA CYS 39 30.466 31.631 27.828
289 HB2 CYS 39 HB2 CYS 39 29.373 30.186 26.267
290 HB3 CYS 39 HB3 CYS 39 27.783 30.711 26.836
291 H LYS 40 H LYS 40 30.513 33.810 27.817
292 HA LYS 40 HA LYS 40 28.028 35.375 28.326
293 HB2 LYS 40 HB2 LYS 40 30.190 35.162 30.191
294 HB3 LYS 40 HB3 LYS 40 30.432 36.694 29.366
295 HG2 LYS 40 HG2 LYS 40 27.932 37.156 29.838
296 HG3 LYS 40 HG3 LYS 40 28.031 35.724 30.896
297 HD2 LYS 40 HD2 LYS 40 28.274 37.761 32.213
298 HD3 LYS 40 HD3 LYS 40 29.734 36.797 32.249
299 HE2 LYS 40 HE2 LYS 40 30.385 39.086 32.100
300 HE3 LYS 40 HE3 LYS 40 30.789 38.328 30.562
301 HZ1 LYS 40 HZ1 LYS 40 28.869 39.408 29.560
302 HZ2 LYS 40 HZ2 LYS 40 28.345 39.960 31.008
303 HZ3 LYS 40 HZ3 LYS 40 29.745 40.525 30.338
304 H CYS 41 H CYS 41 27.868 37.262 27.093
305 HA CYS 41 HA CYS 41 30.029 37.663 25.147
306 HB2 CYS 41 HB2 CYS 41 27.635 39.445 25.515
307 HB3 CYS 41 HB3 CYS 41 28.801 39.477 24.226
308 H GLY 42 H GLY 42 31.121 39.686 24.918
309 HA2 GLY 42 HA2 GLY 42 31.852 40.944 27.553
310 HA3 GLY 42 HA3 GLY 42 32.842 40.958 26.093
311 H VAL 43 H VAL 43 32.530 42.467 24.599
312 HA VAL 43 HA VAL 43 30.557 44.648 24.974
313 HB VAL 43 HB VAL 43 32.450 46.223 24.614
314 HG11 VAL 43 HG11 VAL 43 33.475 46.089 26.788
315 HG12 VAL 43 HG12 VAL 43 31.771 45.637 26.924
316 HG13 VAL 43 HG13 VAL 43 33.032 44.382 26.955
317 HG21 VAL 43 HG21 VAL 43 34.777 45.488 24.732
318 HG22 VAL 43 HG22 VAL 43 34.284 43.794 24.829
319 HG23 VAL 43 HG23 VAL 43 33.980 44.734 23.350
320 HA PRO 44 HA PRO 44 30.171 44.806 20.476
321 HB2 PRO 44 HB2 PRO 44 31.301 47.596 20.708
322 HB3 PRO 44 HB3 PRO 44 29.936 47.024 19.707
323 HG2 PRO 44 HG2 PRO 44 29.484 48.283 22.054
324 HG3 PRO 44 HG3 PRO 44 28.528 46.826 21.624
325 HD2 PRO 44 HD2 PRO 44 30.848 47.039 23.549
326 HD3 PRO 44 HD3 PRO 44 29.362 46.064 23.662
327 H ILE 45 H ILE 45 31.441 44.213 18.785
328 HA ILE 45 HA ILE 45 34.141 43.546 19.438
329 HB ILE 45 HB ILE 45 34.278 42.506 17.272
330 HG12 ILE 45 HG12 ILE 45 31.857 42.681 15.993
331 HG13 ILE 45 HG13 ILE 45 32.024 44.320 16.541
332 HG21 ILE 45 HG21 ILE 45 33.042 41.444 19.143
333 HG22 ILE 45 HG22 ILE 45 31.522 42.025 18.426
334 HG23 ILE 45 HG23 ILE 45 32.557 40.887 17.546
335 HD11 ILE 45 HD11 ILE 45 32.964 43.949 14.258
336 HD12 ILE 45 HD12 ILE 45 34.237 44.471 15.380
337 HD13 ILE 45 HD13 ILE 45 34.097 42.761 14.913
338 H SER 46 H SER 46 32.874 46.297 17.723
339 HA SER 46 HA SER 46 33.833 47.943 16.460
340 HB2 SER 46 HB2 SER 46 34.866 48.101 19.298
341 HB3 SER 46 HB3 SER 46 34.707 49.452 18.149
342 HG SER 46 HG SER 46 32.911 49.106 19.655
343 H TYR 47 H TYR 47 35.457 45.883 15.587
344 HA TYR 47 HA TYR 47 37.534 45.173 15.052
345 HB2 TYR 47 HB2 TYR 47 37.243 47.901 13.789
346 HB3 TYR 47 HB3 TYR 47 38.465 46.717 13.336
347 HD1 TYR 47 HD1 TYR 47 37.949 44.675 12.128
348 HD2 TYR 47 HD2 TYR 47 34.810 47.385 13.323
349 HE1 TYR 47 HE1 TYR 47 36.366 43.508 10.611
350 HE2 TYR 47 HE2 TYR 47 33.220 46.181 11.838
351 HH TYR 47 HH TYR 47 34.255 43.504 9.695
352 H LEU 48 H LEU 48 37.931 45.573 17.586
353 HA LEU 48 HA LEU 48 40.581 46.880 17.861
354 HB2 LEU 48 HB2 LEU 48 38.699 47.802 19.230
355 HB3 LEU 48 HB3 LEU 48 38.388 46.193 19.872
356 HG LEU 48 HG LEU 48 40.740 46.195 20.768
357 HD11 LEU 48 HD11 LEU 48 40.515 49.173 20.099
358 HD12 LEU 48 HD12 LEU 48 41.771 48.451 21.122
359 HD13 LEU 48 HD13 LEU 48 41.688 48.041 19.404
360 HD21 LEU 48 HD21 LEU 48 38.864 48.356 21.800
361 HD22 LEU 48 HD22 LEU 48 38.793 46.622 22.205
362 HD23 LEU 48 HD23 LEU 48 40.178 47.594 22.723
Start of MODEL 16
1 H1 VAL 1 H1 VAL 1 17.641 18.654 24.702
2 H2 VAL 1 H2 VAL 1 17.712 19.207 23.154
3 H3 VAL 1 H3 VAL 1 18.284 20.128 24.390
4 HA VAL 1 HA VAL 1 19.373 17.477 23.792
5 HB VAL 1 HB VAL 1 20.671 20.084 22.934
6 HG11 VAL 1 HG11 VAL 1 22.205 18.560 21.697
7 HG12 VAL 1 HG12 VAL 1 22.293 18.270 23.435
8 HG13 VAL 1 HG13 VAL 1 21.381 17.160 22.388
9 HG21 VAL 1 HG21 VAL 1 19.231 17.972 21.255
10 HG22 VAL 1 HG22 VAL 1 18.784 19.690 21.426
11 HG23 VAL 1 HG23 VAL 1 20.273 19.254 20.604
12 H HIS 2 H HIS 2 20.871 16.811 25.234
13 HA HIS 2 HA HIS 2 20.984 17.956 27.786
14 HB2 HIS 2 HB2 HIS 2 21.191 15.514 26.915
15 HB3 HIS 2 HB3 HIS 2 22.904 15.863 26.686
16 HD2 HIS 2 HD2 HIS 2 20.292 16.332 29.511
17 HE1 HIS 2 HE1 HIS 2 23.848 14.836 31.335
18 HE2 HIS 2 HE2 HIS 2 21.488 15.660 31.788
19 H LYS 3 H LYS 3 23.105 18.012 29.057
20 HA LYS 3 HA LYS 3 24.590 20.321 28.179
21 HB2 LYS 3 HB2 LYS 3 25.603 20.278 30.453
22 HB3 LYS 3 HB3 LYS 3 23.861 20.430 30.354
23 HG2 LYS 3 HG2 LYS 3 24.437 18.992 32.187
24 HG3 LYS 3 HG3 LYS 3 23.536 18.111 30.969
25 HD2 LYS 3 HD2 LYS 3 25.236 16.655 31.771
26 HD3 LYS 3 HD3 LYS 3 25.702 17.147 30.136
27 HE2 LYS 3 HE2 LYS 3 27.283 18.821 31.153
28 HE3 LYS 3 HE3 LYS 3 26.774 18.300 32.763
29 HZ1 LYS 3 HZ1 LYS 3 28.833 17.201 32.102
30 HZ2 LYS 3 HZ2 LYS 3 27.643 16.069 32.222
31 HZ3 LYS 3 HZ3 LYS 3 28.174 16.595 30.758
32 H MET 4 H MET 4 25.200 18.533 26.371
33 HA MET 4 HA MET 4 28.040 17.714 26.884
34 HB2 MET 4 HB2 MET 4 27.677 15.842 25.349
35 HB3 MET 4 HB3 MET 4 26.701 15.762 26.812
36 HG2 MET 4 HG2 MET 4 24.734 16.612 25.490
37 HG3 MET 4 HG3 MET 4 25.713 16.442 24.030
38 HE1 MET 4 HE1 MET 4 23.187 13.498 23.718
39 HE2 MET 4 HE2 MET 4 22.850 15.066 24.484
40 HE3 MET 4 HE3 MET 4 23.825 14.998 23.003
41 H ALA 5 H ALA 5 28.616 19.814 26.286
42 HA ALA 5 HA ALA 5 29.031 21.610 25.062
43 HB1 ALA 5 HB1 ALA 5 30.518 20.061 23.945
44 HB2 ALA 5 HB2 ALA 5 29.240 19.580 22.809
45 HB3 ALA 5 HB3 ALA 5 29.897 21.218 22.767
46 H LYS 6 H LYS 6 26.004 20.465 24.787
47 HA LYS 6 HA LYS 6 25.217 22.571 22.795
48 HB2 LYS 6 HB2 LYS 6 24.116 19.811 23.347
49 HB3 LYS 6 HB3 LYS 6 23.074 21.060 22.716
50 HG2 LYS 6 HG2 LYS 6 23.696 20.132 20.777
51 HG3 LYS 6 HG3 LYS 6 24.862 21.451 20.871
52 HD2 LYS 6 HD2 LYS 6 26.526 19.859 21.800
53 HD3 LYS 6 HD3 LYS 6 25.333 18.561 21.700
54 HE2 LYS 6 HE2 LYS 6 26.409 20.171 19.326
55 HE3 LYS 6 HE3 LYS 6 27.056 18.606 19.841
56 HZ1 LYS 6 HZ1 LYS 6 24.919 17.592 19.354
57 HZ2 LYS 6 HZ2 LYS 6 24.258 19.031 18.908
58 HZ3 LYS 6 HZ3 LYS 6 25.470 18.372 18.034
59 H ASN 7 H ASN 7 25.551 22.472 25.939
60 HA ASN 7 HA ASN 7 23.331 24.407 26.175
61 HB2 ASN 7 HB2 ASN 7 23.959 22.480 28.453
62 HB3 ASN 7 HB3 ASN 7 22.785 23.788 28.508
63 HD21 ASN 7 HD21 ASN 7 20.852 21.495 26.085
64 HD22 ASN 7 HD22 ASN 7 21.764 22.950 25.667
65 H GLN 8 H GLN 8 26.465 24.018 26.244
66 HA GLN 8 HA GLN 8 26.930 26.484 27.800
67 HB2 GLN 8 HB2 GLN 8 29.068 25.581 28.505
68 HB3 GLN 8 HB3 GLN 8 27.714 24.756 29.192
69 HG2 GLN 8 HG2 GLN 8 29.152 23.633 26.713
70 HG3 GLN 8 HG3 GLN 8 29.756 23.347 28.348
71 HE21 GLN 8 HE21 GLN 8 26.733 21.734 29.420
72 HE22 GLN 8 HE22 GLN 8 28.217 22.462 29.963
73 H PHE 9 H PHE 9 26.373 26.069 24.916
74 HA PHE 9 HA PHE 9 27.090 26.802 22.908
75 HB2 PHE 9 HB2 PHE 9 29.275 28.320 24.362
76 HB3 PHE 9 HB3 PHE 9 28.446 28.761 22.870
77 HD1 PHE 9 HD1 PHE 9 26.000 29.420 22.916
78 HD2 PHE 9 HD2 PHE 9 28.262 28.830 26.542
79 HE1 PHE 9 HE1 PHE 9 24.193 30.498 24.229
80 HE2 PHE 9 HE2 PHE 9 26.439 29.902 27.849
81 HZ PHE 9 HZ PHE 9 24.403 30.731 26.692
82 H GLY 10 H GLY 10 28.705 24.534 24.379
83 HA2 GLY 10 HA2 GLY 10 30.392 23.051 23.847
84 HA3 GLY 10 HA3 GLY 10 30.617 23.839 22.290
85 H CYS 11 H CYS 11 30.867 25.515 25.433
86 HA CYS 11 HA CYS 11 33.804 25.230 25.594
87 HB2 CYS 11 HB2 CYS 11 34.149 27.514 26.047
88 HB3 CYS 11 HB3 CYS 11 33.455 27.333 24.443
89 H PHE 12 H PHE 12 34.622 24.947 27.538
90 HA PHE 12 HA PHE 12 33.128 25.776 29.904
91 HB2 PHE 12 HB2 PHE 12 32.812 23.716 30.966
92 HB3 PHE 12 HB3 PHE 12 32.051 23.638 29.402
93 HD1 PHE 12 HD1 PHE 12 31.824 21.292 30.284
94 HD2 PHE 12 HD2 PHE 12 35.611 22.901 28.964
95 HE1 PHE 12 HE1 PHE 12 32.728 19.006 30.066
96 HE2 PHE 12 HE2 PHE 12 36.517 20.620 28.810
97 HZ PHE 12 HZ PHE 12 35.099 18.661 29.376
98 H ALA 13 H ALA 13 34.366 24.806 31.980
99 HA ALA 13 HA ALA 13 36.221 25.017 33.262
100 HB1 ALA 13 HB1 ALA 13 36.375 22.768 32.248
101 HB2 ALA 13 HB2 ALA 13 37.480 23.420 31.016
102 HB3 ALA 13 HB3 ALA 13 37.944 23.423 32.737
103 H ASN 14 H ASN 14 35.868 27.294 31.760
104 HA ASN 14 HA ASN 14 36.718 29.242 31.115
105 HB2 ASN 14 HB2 ASN 14 39.129 28.462 32.760
106 HB3 ASN 14 HB3 ASN 14 38.793 30.066 32.144
107 HD21 ASN 14 HD21 ASN 14 37.755 30.257 35.491
108 HD22 ASN 14 HD22 ASN 14 39.246 30.167 34.569
109 H VAL 15 H VAL 15 37.126 26.975 29.131
110 HA VAL 15 HA VAL 15 39.623 27.912 27.763
111 HB VAL 15 HB VAL 15 37.987 25.417 27.251
112 HG11 VAL 15 HG11 VAL 15 39.967 24.562 26.102
113 HG12 VAL 15 HG12 VAL 15 39.429 26.035 25.319
114 HG13 VAL 15 HG13 VAL 15 40.834 26.068 26.414
115 HG21 VAL 15 HG21 VAL 15 40.481 25.755 28.954
116 HG22 VAL 15 HG22 VAL 15 38.887 25.152 29.463
117 HG23 VAL 15 HG23 VAL 15 39.873 24.187 28.379
118 H ASP 16 H ASP 16 39.414 28.065 25.362
119 HA ASP 16 HA ASP 16 36.773 29.109 24.472
120 HB2 ASP 16 HB2 ASP 16 38.428 31.008 24.616
121 HB3 ASP 16 HB3 ASP 16 39.536 30.107 23.582
122 H VAL 17 H VAL 17 36.821 26.923 24.622
123 HA VAL 17 HA VAL 17 37.886 25.031 22.891
124 HB VAL 17 HB VAL 17 35.081 25.215 23.942
125 HG11 VAL 17 HG11 VAL 17 36.916 22.829 23.509
126 HG12 VAL 17 HG12 VAL 17 35.318 22.739 24.270
127 HG13 VAL 17 HG13 VAL 17 35.431 23.222 22.600
128 HG21 VAL 17 HG21 VAL 17 36.376 25.685 25.918
129 HG22 VAL 17 HG22 VAL 17 35.785 24.034 26.021
130 HG23 VAL 17 HG23 VAL 17 37.463 24.288 25.534
131 H LYS 18 H LYS 18 36.900 23.979 21.111
132 HA LYS 18 HA LYS 18 36.469 25.684 18.912
133 HB2 LYS 18 HB2 LYS 18 36.076 22.681 19.137
134 HB3 LYS 18 HB3 LYS 18 36.198 23.558 17.618
135 HG2 LYS 18 HG2 LYS 18 38.409 23.471 19.722
136 HG3 LYS 18 HG3 LYS 18 38.289 22.410 18.329
137 HD2 LYS 18 HD2 LYS 18 38.448 24.370 16.799
138 HD3 LYS 18 HD3 LYS 18 38.606 25.435 18.209
139 HE2 LYS 18 HE2 LYS 18 40.616 24.110 18.924
140 HE3 LYS 18 HE3 LYS 18 40.507 23.170 17.430
141 HZ1 LYS 18 HZ1 LYS 18 42.075 25.080 17.295
142 HZ2 LYS 18 HZ2 LYS 18 40.892 25.204 16.176
143 HZ3 LYS 18 HZ3 LYS 18 40.836 26.118 17.550
144 H GLY 19 H GLY 19 33.979 24.789 21.033
145 HA2 GLY 19 HA2 GLY 19 31.745 24.841 19.174
146 HA3 GLY 19 HA3 GLY 19 31.709 25.160 20.916
147 H ASP 20 H ASP 20 33.894 27.283 20.410
148 HA ASP 20 HA ASP 20 34.046 29.532 20.240
149 HB2 ASP 20 HB2 ASP 20 32.603 29.025 17.643
150 HB3 ASP 20 HB3 ASP 20 33.459 30.494 18.084
151 H CYS 21 H CYS 21 32.773 30.132 22.045
152 HA CYS 21 HA CYS 21 30.005 30.747 21.865
153 HB2 CYS 21 HB2 CYS 21 31.355 30.590 23.960
154 HB3 CYS 21 HB3 CYS 21 32.105 32.135 23.578
155 H LYS 22 H LYS 22 32.728 32.495 20.637
156 HA LYS 22 HA LYS 22 31.956 35.030 19.957
157 HB2 LYS 22 HB2 LYS 22 33.974 33.785 19.098
158 HB3 LYS 22 HB3 LYS 22 32.929 32.845 18.049
159 HG2 LYS 22 HG2 LYS 22 33.755 34.376 16.553
160 HG3 LYS 22 HG3 LYS 22 32.238 35.127 16.976
161 HD2 LYS 22 HD2 LYS 22 33.830 36.862 16.961
162 HD3 LYS 22 HD3 LYS 22 33.562 36.543 18.682
163 HE2 LYS 22 HE2 LYS 22 35.615 35.167 18.775
164 HE3 LYS 22 HE3 LYS 22 35.813 35.301 17.027
165 HZ1 LYS 22 HZ1 LYS 22 36.125 37.721 17.343
166 HZ2 LYS 22 HZ2 LYS 22 36.062 37.546 18.963
167 HZ3 LYS 22 HZ3 LYS 22 37.270 36.815 18.149
168 H ARG 23 H ARG 23 30.589 32.063 18.400
169 HA ARG 23 HA ARG 23 28.876 33.463 16.552
170 HB2 ARG 23 HB2 ARG 23 28.712 30.614 17.651
171 HB3 ARG 23 HB3 ARG 23 27.863 31.222 16.233
172 HG2 ARG 23 HG2 ARG 23 30.095 31.705 15.168
173 HG3 ARG 23 HG3 ARG 23 30.895 30.955 16.556
174 HD2 ARG 23 HD2 ARG 23 28.898 29.593 14.709
175 HD3 ARG 23 HD3 ARG 23 30.659 29.440 14.636
176 HE ARG 23 HE ARG 23 30.504 28.523 17.014
177 HH11 ARG 23 HH11 ARG 23 27.838 27.795 14.707
178 HH12 ARG 23 HH12 ARG 23 27.581 26.288 15.580
179 HH21 ARG 23 HH21 ARG 23 29.883 26.705 17.968
180 HH22 ARG 23 HH22 ARG 23 28.601 25.733 17.251
181 H HIS 24 H HIS 24 28.259 32.386 19.834
182 HA HIS 24 HA HIS 24 25.386 33.011 19.761
183 HB2 HIS 24 HB2 HIS 24 26.043 31.387 21.343
184 HB3 HIS 24 HB3 HIS 24 27.399 32.342 21.922
185 HD2 HIS 24 HD2 HIS 24 27.067 33.594 24.098
186 HE1 HIS 24 HE1 HIS 24 22.820 33.478 24.388
187 HE2 HIS 24 HE2 HIS 24 24.976 34.108 25.598
188 H CYS 25 H CYS 25 28.328 34.689 21.028
189 HA CYS 25 HA CYS 25 26.762 37.053 21.686
190 HB2 CYS 25 HB2 CYS 25 29.704 36.427 21.657
191 HB3 CYS 25 HB3 CYS 25 29.109 38.052 21.973
192 H LYS 26 H LYS 26 28.288 36.026 18.691
193 HA LYS 26 HA LYS 26 28.353 38.436 17.246
194 HB2 LYS 26 HB2 LYS 26 29.194 36.276 16.378
195 HB3 LYS 26 HB3 LYS 26 27.559 35.635 16.370
196 HG2 LYS 26 HG2 LYS 26 28.054 36.042 14.157
197 HG3 LYS 26 HG3 LYS 26 26.969 37.344 14.569
198 HD2 LYS 26 HD2 LYS 26 30.006 37.626 14.588
199 HD3 LYS 26 HD3 LYS 26 29.039 37.841 13.127
200 HE2 LYS 26 HE2 LYS 26 27.791 39.684 14.121
201 HE3 LYS 26 HE3 LYS 26 28.639 39.477 15.656
202 HZ1 LYS 26 HZ1 LYS 26 29.949 40.199 13.101
203 HZ2 LYS 26 HZ2 LYS 26 29.613 41.234 14.359
204 HZ3 LYS 26 HZ3 LYS 26 30.718 39.986 14.515
205 H ALA 27 H ALA 27 25.526 36.460 18.125
206 HA ALA 27 HA ALA 27 23.564 37.788 16.531
207 HB1 ALA 27 HB1 ALA 27 23.271 36.569 19.307
208 HB2 ALA 27 HB2 ALA 27 22.002 36.768 18.086
209 HB3 ALA 27 HB3 ALA 27 23.322 35.620 17.800
210 H GLU 28 H GLU 28 25.204 38.776 19.474
211 HA GLU 28 HA GLU 28 23.509 41.191 19.804
212 HB2 GLU 28 HB2 GLU 28 25.710 40.192 21.646
213 HB3 GLU 28 HB3 GLU 28 24.497 41.418 21.967
214 HG2 GLU 28 HG2 GLU 28 22.937 39.162 21.406
215 HG3 GLU 28 HG3 GLU 28 24.350 38.459 22.177
216 H ASP 29 H ASP 29 26.024 40.393 17.934
217 HA ASP 29 HA ASP 29 27.870 41.184 17.071
218 HB2 ASP 29 HB2 ASP 29 26.197 42.997 16.445
219 HB3 ASP 29 HB3 ASP 29 27.013 44.016 17.630
220 H LYS 30 H LYS 30 28.068 40.392 19.741
221 HA LYS 30 HA LYS 30 30.308 42.079 20.791
222 HB2 LYS 30 HB2 LYS 30 28.559 40.106 22.293
223 HB3 LYS 30 HB3 LYS 30 29.864 41.087 22.974
224 HG2 LYS 30 HG2 LYS 30 27.289 42.153 21.804
225 HG3 LYS 30 HG3 LYS 30 27.608 41.911 23.516
226 HD2 LYS 30 HD2 LYS 30 29.406 43.541 23.515
227 HD3 LYS 30 HD3 LYS 30 29.272 43.774 21.758
228 HE2 LYS 30 HE2 LYS 30 26.993 44.276 23.708
229 HE3 LYS 30 HE3 LYS 30 28.094 45.541 23.150
230 HZ1 LYS 30 HZ1 LYS 30 27.318 45.299 20.950
231 HZ2 LYS 30 HZ2 LYS 30 26.557 43.877 21.226
232 HZ3 LYS 30 HZ3 LYS 30 25.958 45.266 21.889
233 H GLU 31 H GLU 31 32.032 40.991 21.875
234 HA GLU 31 HA GLU 31 33.061 38.489 20.720
235 HB2 GLU 31 HB2 GLU 31 33.871 40.188 23.110
236 HB3 GLU 31 HB3 GLU 31 34.739 38.749 22.638
237 HG2 GLU 31 HG2 GLU 31 34.372 41.158 20.793
238 HG3 GLU 31 HG3 GLU 31 35.756 40.921 21.850
239 H GLY 32 H GLY 32 33.306 36.487 21.890
240 HA2 GLY 32 HA2 GLY 32 31.245 36.025 24.032
241 HA3 GLY 32 HA3 GLY 32 31.587 34.875 22.759
242 H ILE 33 H ILE 33 32.254 35.736 25.941
243 HA ILE 33 HA ILE 33 34.815 34.248 26.004
244 HB ILE 33 HB ILE 33 35.457 35.640 27.985
245 HG12 ILE 33 HG12 ILE 33 34.723 38.085 27.686
246 HG13 ILE 33 HG13 ILE 33 33.314 37.480 26.831
247 HG21 ILE 33 HG21 ILE 33 36.501 37.261 26.477
248 HG22 ILE 33 HG22 ILE 33 36.489 35.667 25.739
249 HG23 ILE 33 HG23 ILE 33 35.323 36.896 25.204
250 HD11 ILE 33 HD11 ILE 33 34.057 36.723 29.689
251 HD12 ILE 33 HD12 ILE 33 32.968 38.058 29.260
252 HD13 ILE 33 HD13 ILE 33 32.514 36.397 28.871
253 H CYS 34 H CYS 34 34.763 32.386 26.827
254 HA CYS 34 HA CYS 34 32.579 31.608 28.603
255 HB2 CYS 34 HB2 CYS 34 34.840 29.899 27.520
256 HB3 CYS 34 HB3 CYS 34 33.319 29.358 28.218
257 H HIS 35 H HIS 35 33.079 32.801 30.539
258 HA HIS 35 HA HIS 35 35.403 31.756 32.078
259 HB2 HIS 35 HB2 HIS 35 34.912 33.257 33.802
260 HB3 HIS 35 HB3 HIS 35 35.075 34.097 32.274
261 HD2 HIS 35 HD2 HIS 35 33.001 35.527 31.416
262 HE1 HIS 35 HE1 HIS 35 30.947 35.461 35.141
263 HE2 HIS 35 HE2 HIS 35 31.224 36.691 32.948
264 H GLY 36 H GLY 36 34.418 29.686 31.499
265 HA2 GLY 36 HA2 GLY 36 33.757 27.674 32.661
266 HA3 GLY 36 HA3 GLY 36 32.645 28.613 33.651
267 H THR 37 H THR 37 31.305 26.686 32.818
268 HA THR 37 HA THR 37 30.388 26.389 30.180
269 HB THR 37 HB THR 37 28.312 25.411 31.257
270 HG1 THR 37 HG1 THR 37 28.048 25.448 33.333
271 HG21 THR 37 HG21 THR 37 29.480 23.537 32.402
272 HG22 THR 37 HG22 THR 37 30.205 23.951 30.839
273 HG23 THR 37 HG23 THR 37 30.997 24.461 32.340
274 H LYS 38 H LYS 38 29.261 28.755 32.587
275 HA LYS 38 HA LYS 38 27.117 29.699 30.746
276 HB2 LYS 38 HB2 LYS 38 27.940 30.842 33.431
277 HB3 LYS 38 HB3 LYS 38 26.564 31.287 32.423
278 HG2 LYS 38 HG2 LYS 38 26.992 28.625 33.859
279 HG3 LYS 38 HG3 LYS 38 25.881 29.913 34.321
280 HD2 LYS 38 HD2 LYS 38 24.718 29.572 32.064
281 HD3 LYS 38 HD3 LYS 38 25.712 28.110 31.869
282 HE2 LYS 38 HE2 LYS 38 24.824 27.295 34.092
283 HE3 LYS 38 HE3 LYS 38 23.781 28.731 34.151
284 HZ1 LYS 38 HZ1 LYS 38 22.877 27.935 31.957
285 HZ2 LYS 38 HZ2 LYS 38 23.668 26.540 32.157
286 HZ3 LYS 38 HZ3 LYS 38 22.489 26.973 33.245
287 H CYS 39 H CYS 39 28.495 30.111 29.056
288 HA CYS 39 HA CYS 39 30.536 32.107 29.038
289 HB2 CYS 39 HB2 CYS 39 30.090 30.599 27.112
290 HB3 CYS 39 HB3 CYS 39 28.581 31.483 26.809
291 H LYS 40 H LYS 40 30.593 34.293 28.616
292 HA LYS 40 HA LYS 40 28.107 35.956 28.810
293 HB2 LYS 40 HB2 LYS 40 30.658 35.980 30.429
294 HB3 LYS 40 HB3 LYS 40 30.044 37.522 29.932
295 HG2 LYS 40 HG2 LYS 40 29.310 37.053 32.141
296 HG3 LYS 40 HG3 LYS 40 27.914 37.155 31.053
297 HD2 LYS 40 HD2 LYS 40 27.651 34.764 31.064
298 HD3 LYS 40 HD3 LYS 40 29.229 34.545 31.835
299 HE2 LYS 40 HE2 LYS 40 27.428 34.144 33.433
300 HE3 LYS 40 HE3 LYS 40 28.396 35.540 33.918
301 HZ1 LYS 40 HZ1 LYS 40 25.820 35.792 32.456
302 HZ2 LYS 40 HZ2 LYS 40 25.923 35.833 34.073
303 HZ3 LYS 40 HZ3 LYS 40 26.640 37.004 33.157
304 H CYS 41 H CYS 41 28.375 38.071 27.729
305 HA CYS 41 HA CYS 41 30.361 37.926 25.546
306 HB2 CYS 41 HB2 CYS 41 28.263 40.047 25.913
307 HB3 CYS 41 HB3 CYS 41 29.338 39.828 24.565
308 H GLY 42 H GLY 42 31.737 39.598 24.987
309 HA2 GLY 42 HA2 GLY 42 33.017 40.984 27.305
310 HA3 GLY 42 HA3 GLY 42 33.773 40.605 25.759
311 H VAL 43 H VAL 43 33.546 42.001 24.040
312 HA VAL 43 HA VAL 43 32.264 44.616 24.516
313 HB VAL 43 HB VAL 43 34.300 45.645 23.460
314 HG11 VAL 43 HG11 VAL 43 34.215 45.528 25.908
315 HG12 VAL 43 HG12 VAL 43 35.033 43.950 25.873
316 HG13 VAL 43 HG13 VAL 43 35.865 45.406 25.298
317 HG21 VAL 43 HG21 VAL 43 36.350 44.386 23.136
318 HG22 VAL 43 HG22 VAL 43 35.551 42.876 23.605
319 HG23 VAL 43 HG23 VAL 43 35.076 43.724 22.112
320 HA PRO 44 HA PRO 44 30.768 44.588 20.257
321 HB2 PRO 44 HB2 PRO 44 32.304 47.175 19.950
322 HB3 PRO 44 HB3 PRO 44 30.631 46.794 19.454
323 HG2 PRO 44 HG2 PRO 44 31.119 48.227 21.712
324 HG3 PRO 44 HG3 PRO 44 29.848 46.961 21.704
325 HD2 PRO 44 HD2 PRO 44 32.640 46.785 22.838
326 HD3 PRO 44 HD3 PRO 44 31.100 46.142 23.463
327 H ILE 45 H ILE 45 31.541 43.524 18.513
328 HA ILE 45 HA ILE 45 34.280 42.685 18.457
329 HB ILE 45 HB ILE 45 33.702 41.372 16.530
330 HG12 ILE 45 HG12 ILE 45 31.052 41.727 15.913
331 HG13 ILE 45 HG13 ILE 45 31.498 43.380 16.170
332 HG21 ILE 45 HG21 ILE 45 31.374 41.395 18.459
333 HG22 ILE 45 HG22 ILE 45 31.891 40.056 17.429
334 HG23 ILE 45 HG23 ILE 45 32.951 40.614 18.730
335 HD11 ILE 45 HD11 ILE 45 33.010 41.475 14.311
336 HD12 ILE 45 HD12 ILE 45 31.760 42.618 13.786
337 HD13 ILE 45 HD13 ILE 45 33.278 43.216 14.464
338 H SER 46 H SER 46 32.826 45.399 16.904
339 HA SER 46 HA SER 46 34.634 45.740 14.711
340 HB2 SER 46 HB2 SER 46 33.158 47.795 16.408
341 HB3 SER 46 HB3 SER 46 33.954 48.095 14.864
342 HG SER 46 HG SER 46 31.678 46.502 15.419
343 H TYR 47 H TYR 47 36.859 45.618 15.091
344 HA TYR 47 HA TYR 47 38.010 46.804 17.515
345 HB2 TYR 47 HB2 TYR 47 39.357 45.506 15.135
346 HB3 TYR 47 HB3 TYR 47 40.129 45.933 16.648
347 HD1 TYR 47 HD1 TYR 47 40.576 43.329 15.687
348 HD2 TYR 47 HD2 TYR 47 37.200 44.720 18.000
349 HE1 TYR 47 HE1 TYR 47 40.169 41.017 16.513
350 HE2 TYR 47 HE2 TYR 47 36.742 42.409 18.721
351 HH TYR 47 HH TYR 47 37.331 40.208 18.542
352 H LEU 48 H LEU 48 37.513 47.935 14.272
353 HA LEU 48 HA LEU 48 38.617 50.566 14.834
354 HB2 LEU 48 HB2 LEU 48 40.236 50.661 13.120
355 HB3 LEU 48 HB3 LEU 48 40.637 49.271 14.102
356 HG LEU 48 HG LEU 48 39.261 49.152 11.374
357 HD11 LEU 48 HD11 LEU 48 41.567 50.024 11.260
358 HD12 LEU 48 HD12 LEU 48 42.151 48.620 12.181
359 HD13 LEU 48 HD13 LEU 48 41.459 48.405 10.560
360 HD21 LEU 48 HD21 LEU 48 39.999 46.750 11.429
361 HD22 LEU 48 HD22 LEU 48 40.454 46.959 13.133
362 HD23 LEU 48 HD23 LEU 48 38.755 47.116 12.618
Start of MODEL 17
1 H1 VAL 1 H1 VAL 1 17.912 17.277 27.186
2 H2 VAL 1 H2 VAL 1 17.532 17.627 25.641
3 H3 VAL 1 H3 VAL 1 17.470 18.823 26.769
4 HA VAL 1 HA VAL 1 19.834 17.414 25.725
5 HB VAL 1 HB VAL 1 19.193 20.385 25.630
6 HG11 VAL 1 HG11 VAL 1 21.156 20.497 24.121
7 HG12 VAL 1 HG12 VAL 1 21.639 19.918 25.715
8 HG13 VAL 1 HG13 VAL 1 21.467 18.769 24.377
9 HG21 VAL 1 HG21 VAL 1 19.155 18.276 23.423
10 HG22 VAL 1 HG22 VAL 1 17.752 19.177 24.050
11 HG23 VAL 1 HG23 VAL 1 19.021 20.029 23.175
12 H HIS 2 H HIS 2 21.242 16.917 27.218
13 HA HIS 2 HA HIS 2 21.075 17.902 29.939
14 HB2 HIS 2 HB2 HIS 2 23.098 16.115 28.556
15 HB3 HIS 2 HB3 HIS 2 22.977 16.374 30.297
16 HD2 HIS 2 HD2 HIS 2 22.354 13.674 28.231
17 HE1 HIS 2 HE1 HIS 2 18.854 13.602 30.661
18 HE2 HIS 2 HE2 HIS 2 20.299 12.249 29.063
19 H LYS 3 H LYS 3 22.947 18.717 31.180
20 HA LYS 3 HA LYS 3 24.090 21.067 29.870
21 HB2 LYS 3 HB2 LYS 3 24.611 20.200 32.708
22 HB3 LYS 3 HB3 LYS 3 24.739 21.810 31.995
23 HG2 LYS 3 HG2 LYS 3 22.193 20.314 32.701
24 HG3 LYS 3 HG3 LYS 3 22.882 21.728 33.485
25 HD2 LYS 3 HD2 LYS 3 22.559 22.984 31.292
26 HD3 LYS 3 HD3 LYS 3 21.642 21.560 30.721
27 HE2 LYS 3 HE2 LYS 3 20.211 21.850 32.837
28 HE3 LYS 3 HE3 LYS 3 21.020 23.401 33.076
29 HZ1 LYS 3 HZ1 LYS 3 19.023 23.785 31.894
30 HZ2 LYS 3 HZ2 LYS 3 20.188 23.992 30.769
31 HZ3 LYS 3 HZ3 LYS 3 19.314 22.600 30.793
32 H MET 4 H MET 4 25.171 19.223 28.424
33 HA MET 4 HA MET 4 27.861 18.461 29.457
34 HB2 MET 4 HB2 MET 4 26.073 17.030 27.450
35 HB3 MET 4 HB3 MET 4 27.674 16.507 27.987
36 HG2 MET 4 HG2 MET 4 26.775 16.351 30.322
37 HG3 MET 4 HG3 MET 4 25.172 16.732 29.687
38 HE1 MET 4 HE1 MET 4 25.700 14.091 31.440
39 HE2 MET 4 HE2 MET 4 24.122 14.497 30.774
40 HE3 MET 4 HE3 MET 4 24.806 12.890 30.519
41 H ALA 5 H ALA 5 28.388 20.634 28.774
42 HA ALA 5 HA ALA 5 29.037 22.295 27.474
43 HB1 ALA 5 HB1 ALA 5 30.636 20.573 26.685
44 HB2 ALA 5 HB2 ALA 5 29.582 20.276 25.287
45 HB3 ALA 5 HB3 ALA 5 30.330 21.867 25.520
46 H LYS 6 H LYS 6 26.214 20.587 26.406
47 HA LYS 6 HA LYS 6 25.762 22.308 24.054
48 HB2 LYS 6 HB2 LYS 6 24.315 19.843 25.083
49 HB3 LYS 6 HB3 LYS 6 23.797 20.795 23.683
50 HG2 LYS 6 HG2 LYS 6 26.242 20.427 22.802
51 HG3 LYS 6 HG3 LYS 6 26.278 19.109 23.978
52 HD2 LYS 6 HD2 LYS 6 24.096 18.261 22.922
53 HD3 LYS 6 HD3 LYS 6 24.291 19.517 21.712
54 HE2 LYS 6 HE2 LYS 6 25.153 17.550 20.737
55 HE3 LYS 6 HE3 LYS 6 26.561 18.542 21.140
56 HZ1 LYS 6 HZ1 LYS 6 26.623 16.100 21.793
57 HZ2 LYS 6 HZ2 LYS 6 26.969 17.150 23.042
58 HZ3 LYS 6 HZ3 LYS 6 25.501 16.442 22.930
59 H ASN 7 H ASN 7 25.475 23.012 27.012
60 HA ASN 7 HA ASN 7 23.049 24.620 26.618
61 HB2 ASN 7 HB2 ASN 7 23.861 23.115 29.127
62 HB3 ASN 7 HB3 ASN 7 22.876 24.573 29.219
63 HD21 ASN 7 HD21 ASN 7 21.031 21.256 27.742
64 HD22 ASN 7 HD22 ASN 7 22.777 21.259 27.655
65 H GLN 8 H GLN 8 26.375 24.464 27.197
66 HA GLN 8 HA GLN 8 26.519 27.328 27.900
67 HB2 GLN 8 HB2 GLN 8 28.801 26.855 28.762
68 HB3 GLN 8 HB3 GLN 8 27.447 26.292 29.682
69 HG2 GLN 8 HG2 GLN 8 28.722 24.405 27.666
70 HG3 GLN 8 HG3 GLN 8 29.578 24.742 29.173
71 HE21 GLN 8 HE21 GLN 8 27.069 23.523 31.344
72 HE22 GLN 8 HE22 GLN 8 28.336 24.719 31.138
73 H PHE 9 H PHE 9 26.002 26.539 25.273
74 HA PHE 9 HA PHE 9 26.659 27.117 23.151
75 HB2 PHE 9 HB2 PHE 9 28.881 28.703 24.483
76 HB3 PHE 9 HB3 PHE 9 28.127 29.012 22.930
77 HD1 PHE 9 HD1 PHE 9 25.872 29.960 22.706
78 HD2 PHE 9 HD2 PHE 9 27.663 29.331 26.567
79 HE1 PHE 9 HE1 PHE 9 24.134 31.388 23.756
80 HE2 PHE 9 HE2 PHE 9 25.914 30.761 27.613
81 HZ PHE 9 HZ PHE 9 24.163 31.790 26.193
82 H GLY 10 H GLY 10 28.157 24.766 24.486
83 HA2 GLY 10 HA2 GLY 10 29.732 23.235 23.855
84 HA3 GLY 10 HA3 GLY 10 30.015 24.114 22.375
85 H CYS 11 H CYS 11 30.498 25.749 25.531
86 HA CYS 11 HA CYS 11 33.450 25.439 25.329
87 HB2 CYS 11 HB2 CYS 11 33.792 27.674 25.823
88 HB3 CYS 11 HB3 CYS 11 32.843 27.558 24.353
89 H PHE 12 H PHE 12 34.607 25.295 27.232
90 HA PHE 12 HA PHE 12 33.380 25.810 29.780
91 HB2 PHE 12 HB2 PHE 12 33.164 23.684 30.703
92 HB3 PHE 12 HB3 PHE 12 32.351 23.564 29.175
93 HD1 PHE 12 HD1 PHE 12 34.477 21.912 31.375
94 HD2 PHE 12 HD2 PHE 12 34.097 22.705 27.147
95 HE1 PHE 12 HE1 PHE 12 35.874 19.942 30.884
96 HE2 PHE 12 HE2 PHE 12 35.495 20.710 26.659
97 HZ PHE 12 HZ PHE 12 36.391 19.330 28.520
98 H ALA 13 H ALA 13 34.816 25.050 31.652
99 HA ALA 13 HA ALA 13 36.728 25.188 32.781
100 HB1 ALA 13 HB1 ALA 13 36.918 22.912 31.807
101 HB2 ALA 13 HB2 ALA 13 37.990 23.592 30.559
102 HB3 ALA 13 HB3 ALA 13 38.457 23.652 32.271
103 H ASN 14 H ASN 14 36.155 27.407 31.261
104 HA ASN 14 HA ASN 14 36.926 29.353 30.433
105 HB2 ASN 14 HB2 ASN 14 39.426 28.695 32.040
106 HB3 ASN 14 HB3 ASN 14 39.033 30.276 31.359
107 HD21 ASN 14 HD21 ASN 14 37.662 29.123 34.898
108 HD22 ASN 14 HD22 ASN 14 38.821 28.201 33.980
109 H VAL 15 H VAL 15 36.884 27.456 28.464
110 HA VAL 15 HA VAL 15 39.092 28.388 26.739
111 HB VAL 15 HB VAL 15 38.169 25.509 26.629
112 HG11 VAL 15 HG11 VAL 15 40.333 25.236 25.453
113 HG12 VAL 15 HG12 VAL 15 39.422 26.536 24.684
114 HG13 VAL 15 HG13 VAL 15 40.739 26.938 25.783
115 HG21 VAL 15 HG21 VAL 15 39.151 25.590 28.843
116 HG22 VAL 15 HG22 VAL 15 40.288 24.813 27.759
117 HG23 VAL 15 HG23 VAL 15 40.566 26.498 28.247
118 H ASP 16 H ASP 16 38.480 28.383 24.498
119 HA ASP 16 HA ASP 16 35.553 28.542 24.076
120 HB2 ASP 16 HB2 ASP 16 37.032 30.706 23.797
121 HB3 ASP 16 HB3 ASP 16 37.592 29.968 22.304
122 H VAL 17 H VAL 17 35.668 26.522 24.123
123 HA VAL 17 HA VAL 17 37.069 24.819 22.265
124 HB VAL 17 HB VAL 17 35.283 24.676 24.672
125 HG11 VAL 17 HG11 VAL 17 35.476 22.248 24.799
126 HG12 VAL 17 HG12 VAL 17 34.431 22.732 23.477
127 HG13 VAL 17 HG13 VAL 17 36.101 22.185 23.145
128 HG21 VAL 17 HG21 VAL 17 37.817 25.021 24.601
129 HG22 VAL 17 HG22 VAL 17 37.236 23.693 25.634
130 HG23 VAL 17 HG23 VAL 17 37.958 23.370 24.049
131 H LYS 18 H LYS 18 35.440 22.914 21.555
132 HA LYS 18 HA LYS 18 34.932 23.517 18.976
133 HB2 LYS 18 HB2 LYS 18 33.600 21.356 20.660
134 HB3 LYS 18 HB3 LYS 18 33.625 21.335 18.902
135 HG2 LYS 18 HG2 LYS 18 36.134 21.305 20.646
136 HG3 LYS 18 HG3 LYS 18 35.345 19.890 19.953
137 HD2 LYS 18 HD2 LYS 18 35.741 20.658 17.689
138 HD3 LYS 18 HD3 LYS 18 36.425 22.189 18.271
139 HE2 LYS 18 HE2 LYS 18 38.319 21.126 19.237
140 HE3 LYS 18 HE3 LYS 18 37.610 19.515 19.039
141 HZ1 LYS 18 HZ1 LYS 18 38.275 21.286 16.765
142 HZ2 LYS 18 HZ2 LYS 18 39.260 20.077 17.315
143 HZ3 LYS 18 HZ3 LYS 18 37.810 19.692 16.696
144 H GLY 19 H GLY 19 32.556 24.627 21.182
145 HA2 GLY 19 HA2 GLY 19 30.507 24.847 19.007
146 HA3 GLY 19 HA3 GLY 19 30.305 25.314 20.676
147 H ASP 20 H ASP 20 33.123 26.667 20.345
148 HA ASP 20 HA ASP 20 33.851 28.793 20.348
149 HB2 ASP 20 HB2 ASP 20 32.610 28.761 17.591
150 HB3 ASP 20 HB3 ASP 20 33.766 29.945 18.178
151 H CYS 21 H CYS 21 32.723 29.884 22.016
152 HA CYS 21 HA CYS 21 30.011 30.738 21.660
153 HB2 CYS 21 HB2 CYS 21 31.242 30.352 23.887
154 HB3 CYS 21 HB3 CYS 21 32.049 31.891 23.612
155 H LYS 22 H LYS 22 33.014 32.161 20.762
156 HA LYS 22 HA LYS 22 32.522 34.859 20.216
157 HB2 LYS 22 HB2 LYS 22 34.600 33.722 19.905
158 HB3 LYS 22 HB3 LYS 22 33.950 32.706 18.632
159 HG2 LYS 22 HG2 LYS 22 33.839 35.708 18.315
160 HG3 LYS 22 HG3 LYS 22 35.396 34.919 18.147
161 HD2 LYS 22 HD2 LYS 22 32.980 33.956 16.587
162 HD3 LYS 22 HD3 LYS 22 33.996 35.257 15.994
163 HE2 LYS 22 HE2 LYS 22 35.227 32.646 16.922
164 HE3 LYS 22 HE3 LYS 22 34.508 32.768 15.298
165 HZ1 LYS 22 HZ1 LYS 22 35.976 34.647 14.860
166 HZ2 LYS 22 HZ2 LYS 22 36.738 34.466 16.310
167 HZ3 LYS 22 HZ3 LYS 22 36.847 33.299 15.167
168 H ARG 23 H ARG 23 31.166 32.035 18.458
169 HA ARG 23 HA ARG 23 30.010 33.595 16.300
170 HB2 ARG 23 HB2 ARG 23 29.263 30.806 17.299
171 HB3 ARG 23 HB3 ARG 23 28.871 31.516 15.709
172 HG2 ARG 23 HG2 ARG 23 31.341 31.651 15.210
173 HG3 ARG 23 HG3 ARG 23 31.668 30.806 16.737
174 HD2 ARG 23 HD2 ARG 23 30.113 29.772 14.364
175 HD3 ARG 23 HD3 ARG 23 31.690 29.235 14.914
176 HE ARG 23 HE ARG 23 30.531 28.427 17.017
177 HH11 ARG 23 HH11 ARG 23 29.106 27.001 17.669
178 HH12 ARG 23 HH12 ARG 23 27.677 26.618 16.737
179 HH21 ARG 23 HH21 ARG 23 28.698 28.473 13.999
180 HH22 ARG 23 HH22 ARG 23 27.596 27.259 14.570
181 H HIS 24 H HIS 24 28.597 32.261 19.311
182 HA HIS 24 HA HIS 24 25.886 33.090 18.848
183 HB2 HIS 24 HB2 HIS 24 26.248 31.577 20.640
184 HB3 HIS 24 HB3 HIS 24 27.550 32.543 21.328
185 HD2 HIS 24 HD2 HIS 24 26.911 33.777 23.460
186 HE1 HIS 24 HE1 HIS 24 22.770 34.446 22.762
187 HE2 HIS 24 HE2 HIS 24 24.647 34.739 24.433
188 H CYS 25 H CYS 25 28.545 34.762 20.582
189 HA CYS 25 HA CYS 25 26.936 37.114 21.007
190 HB2 CYS 25 HB2 CYS 25 29.878 36.517 21.319
191 HB3 CYS 25 HB3 CYS 25 29.177 38.070 21.731
192 H LYS 26 H LYS 26 29.068 36.229 18.262
193 HA LYS 26 HA LYS 26 29.356 38.854 17.214
194 HB2 LYS 26 HB2 LYS 26 30.658 36.889 16.495
195 HB3 LYS 26 HB3 LYS 26 29.236 36.217 15.691
196 HG2 LYS 26 HG2 LYS 26 29.179 37.990 14.092
197 HG3 LYS 26 HG3 LYS 26 30.277 38.997 15.039
198 HD2 LYS 26 HD2 LYS 26 31.075 36.397 13.682
199 HD3 LYS 26 HD3 LYS 26 31.291 38.029 13.008
200 HE2 LYS 26 HE2 LYS 26 32.570 38.577 15.191
201 HE3 LYS 26 HE3 LYS 26 32.623 36.833 15.471
202 HZ1 LYS 26 HZ1 LYS 26 33.736 36.680 13.228
203 HZ2 LYS 26 HZ2 LYS 26 33.773 38.344 13.204
204 HZ3 LYS 26 HZ3 LYS 26 34.589 37.500 14.351
205 H ALA 27 H ALA 27 26.557 36.704 17.067
206 HA ALA 27 HA ALA 27 25.150 38.100 14.961
207 HB1 ALA 27 HB1 ALA 27 24.580 35.814 15.717
208 HB2 ALA 27 HB2 ALA 27 24.129 36.453 17.316
209 HB3 ALA 27 HB3 ALA 27 23.190 36.907 15.882
210 H GLU 28 H GLU 28 25.523 38.639 18.424
211 HA GLU 28 HA GLU 28 23.605 40.866 18.534
212 HB2 GLU 28 HB2 GLU 28 25.435 39.863 20.711
213 HB3 GLU 28 HB3 GLU 28 23.948 40.780 20.885
214 HG2 GLU 28 HG2 GLU 28 24.104 37.926 19.936
215 HG3 GLU 28 HG3 GLU 28 23.786 38.412 21.563
216 H ASP 29 H ASP 29 26.444 40.736 17.137
217 HA ASP 29 HA ASP 29 28.323 41.818 16.839
218 HB2 ASP 29 HB2 ASP 29 28.333 44.209 16.618
219 HB3 ASP 29 HB3 ASP 29 26.965 43.429 15.878
220 H LYS 30 H LYS 30 28.153 40.608 19.367
221 HA LYS 30 HA LYS 30 30.097 42.250 20.947
222 HB2 LYS 30 HB2 LYS 30 28.289 40.014 21.929
223 HB3 LYS 30 HB3 LYS 30 29.371 41.009 22.914
224 HG2 LYS 30 HG2 LYS 30 26.892 41.971 21.472
225 HG3 LYS 30 HG3 LYS 30 26.989 41.584 23.178
226 HD2 LYS 30 HD2 LYS 30 28.474 43.375 23.650
227 HD3 LYS 30 HD3 LYS 30 28.789 43.689 21.941
228 HE2 LYS 30 HE2 LYS 30 26.076 44.066 23.244
229 HE3 LYS 30 HE3 LYS 30 27.250 45.354 23.001
230 HZ1 LYS 30 HZ1 LYS 30 25.999 43.763 20.810
231 HZ2 LYS 30 HZ2 LYS 30 25.656 45.313 21.214
232 HZ3 LYS 30 HZ3 LYS 30 27.102 44.929 20.557
233 H GLU 31 H GLU 31 31.625 41.156 22.201
234 HA GLU 31 HA GLU 31 33.061 38.880 20.949
235 HB2 GLU 31 HB2 GLU 31 33.403 40.449 23.537
236 HB3 GLU 31 HB3 GLU 31 34.489 39.167 23.046
237 HG2 GLU 31 HG2 GLU 31 34.055 41.449 21.099
238 HG3 GLU 31 HG3 GLU 31 35.020 41.726 22.543
239 H GLY 32 H GLY 32 33.376 36.817 22.088
240 HA2 GLY 32 HA2 GLY 32 31.172 36.122 24.030
241 HA3 GLY 32 HA3 GLY 32 31.566 35.081 22.680
242 H ILE 33 H ILE 33 32.089 35.652 25.959
243 HA ILE 33 HA ILE 33 34.678 34.208 25.983
244 HB ILE 33 HB ILE 33 35.180 35.635 28.083
245 HG12 ILE 33 HG12 ILE 33 34.703 38.056 27.650
246 HG13 ILE 33 HG13 ILE 33 33.494 37.593 26.454
247 HG21 ILE 33 HG21 ILE 33 35.555 36.590 25.211
248 HG22 ILE 33 HG22 ILE 33 36.545 37.062 26.607
249 HG23 ILE 33 HG23 ILE 33 36.552 35.385 26.058
250 HD11 ILE 33 HD11 ILE 33 32.163 36.507 28.225
251 HD12 ILE 33 HD12 ILE 33 33.449 36.815 29.394
252 HD13 ILE 33 HD13 ILE 33 32.541 38.171 28.692
253 H CYS 34 H CYS 34 34.556 32.350 26.805
254 HA CYS 34 HA CYS 34 32.463 31.638 28.593
255 HB2 CYS 34 HB2 CYS 34 34.732 29.956 27.495
256 HB3 CYS 34 HB3 CYS 34 33.278 29.354 28.309
257 H HIS 35 H HIS 35 32.501 32.440 30.503
258 HA HIS 35 HA HIS 35 34.774 32.267 32.387
259 HB2 HIS 35 HB2 HIS 35 31.847 33.122 32.633
260 HB3 HIS 35 HB3 HIS 35 32.947 33.029 34.005
261 HD2 HIS 35 HD2 HIS 35 31.965 35.381 31.183
262 HE1 HIS 35 HE1 HIS 35 35.104 37.277 33.348
263 HE2 HIS 35 HE2 HIS 35 33.292 37.623 31.623
264 H GLY 36 H GLY 36 35.328 30.198 32.876
265 HA2 GLY 36 HA2 GLY 36 35.257 28.153 33.945
266 HA3 GLY 36 HA3 GLY 36 33.747 28.645 34.686
267 H THR 37 H THR 37 32.240 27.179 34.343
268 HA THR 37 HA THR 37 32.001 25.610 31.841
269 HB THR 37 HB THR 37 29.869 24.776 33.312
270 HG1 THR 37 HG1 THR 37 30.833 26.269 35.093
271 HG21 THR 37 HG21 THR 37 31.331 22.967 34.106
272 HG22 THR 37 HG22 THR 37 31.547 23.330 32.412
273 HG23 THR 37 HG23 THR 37 32.767 23.895 33.603
274 H LYS 38 H LYS 38 31.121 28.685 32.399
275 HA LYS 38 HA LYS 38 28.616 28.491 30.780
276 HB2 LYS 38 HB2 LYS 38 29.416 30.569 32.867
277 HB3 LYS 38 HB3 LYS 38 27.934 30.585 31.929
278 HG2 LYS 38 HG2 LYS 38 28.671 28.556 34.069
279 HG3 LYS 38 HG3 LYS 38 27.488 29.851 34.158
280 HD2 LYS 38 HD2 LYS 38 26.313 28.726 32.158
281 HD3 LYS 38 HD3 LYS 38 27.377 27.336 32.464
282 HE2 LYS 38 HE2 LYS 38 26.499 27.256 34.827
283 HE3 LYS 38 HE3 LYS 38 25.427 28.612 34.430
284 HZ1 LYS 38 HZ1 LYS 38 24.072 26.843 34.047
285 HZ2 LYS 38 HZ2 LYS 38 24.665 27.032 32.532
286 HZ3 LYS 38 HZ3 LYS 38 25.264 25.836 33.496
287 H CYS 39 H CYS 39 28.144 30.652 29.672
288 HA CYS 39 HA CYS 39 30.575 32.138 28.896
289 HB2 CYS 39 HB2 CYS 39 29.971 30.504 27.028
290 HB3 CYS 39 HB3 CYS 39 28.482 31.444 26.856
291 H LYS 40 H LYS 40 30.344 34.207 28.359
292 HA LYS 40 HA LYS 40 27.710 35.581 28.589
293 HB2 LYS 40 HB2 LYS 40 30.365 36.430 29.854
294 HB3 LYS 40 HB3 LYS 40 28.943 37.442 29.739
295 HG2 LYS 40 HG2 LYS 40 27.705 35.615 31.078
296 HG3 LYS 40 HG3 LYS 40 29.291 34.902 31.370
297 HD2 LYS 40 HD2 LYS 40 28.728 36.279 33.272
298 HD3 LYS 40 HD3 LYS 40 30.056 37.039 32.407
299 HE2 LYS 40 HE2 LYS 40 28.439 38.709 33.131
300 HE3 LYS 40 HE3 LYS 40 28.508 38.669 31.374
301 HZ1 LYS 40 HZ1 LYS 40 26.459 37.368 31.371
302 HZ2 LYS 40 HZ2 LYS 40 26.438 37.290 33.001
303 HZ3 LYS 40 HZ3 LYS 40 26.195 38.727 32.258
304 H CYS 41 H CYS 41 27.771 37.695 27.449
305 HA CYS 41 HA CYS 41 29.830 37.712 25.295
306 HB2 CYS 41 HB2 CYS 41 27.462 39.559 25.582
307 HB3 CYS 41 HB3 CYS 41 28.694 39.601 24.355
308 H GLY 42 H GLY 42 31.177 39.531 25.026
309 HA2 GLY 42 HA2 GLY 42 32.035 40.629 27.657
310 HA3 GLY 42 HA3 GLY 42 32.998 40.567 26.188
311 H VAL 43 H VAL 43 32.752 42.112 24.643
312 HA VAL 43 HA VAL 43 31.130 44.538 25.173
313 HB VAL 43 HB VAL 43 33.132 45.929 24.629
314 HG11 VAL 43 HG11 VAL 43 32.667 45.330 26.996
315 HG12 VAL 43 HG12 VAL 43 33.830 43.991 26.853
316 HG13 VAL 43 HG13 VAL 43 34.375 45.668 26.658
317 HG21 VAL 43 HG21 VAL 43 34.345 44.384 23.167
318 HG22 VAL 43 HG22 VAL 43 35.366 44.995 24.469
319 HG23 VAL 43 HG23 VAL 43 34.725 43.345 24.563
320 HA PRO 44 HA PRO 44 30.344 44.467 20.821
321 HB2 PRO 44 HB2 PRO 44 30.655 47.101 19.994
322 HB3 PRO 44 HB3 PRO 44 29.200 46.413 20.796
323 HG2 PRO 44 HG2 PRO 44 31.479 47.961 22.029
324 HG3 PRO 44 HG3 PRO 44 29.723 48.108 22.362
325 HD2 PRO 44 HD2 PRO 44 31.378 46.747 24.000
326 HD3 PRO 44 HD3 PRO 44 29.750 46.137 23.714
327 H ILE 45 H ILE 45 31.365 44.044 18.924
328 HA ILE 45 HA ILE 45 34.174 43.612 19.084
329 HB ILE 45 HB ILE 45 34.070 42.801 16.834
330 HG12 ILE 45 HG12 ILE 45 31.569 42.880 15.813
331 HG13 ILE 45 HG13 ILE 45 31.538 44.420 16.653
332 HG21 ILE 45 HG21 ILE 45 32.441 41.048 17.114
333 HG22 ILE 45 HG22 ILE 45 33.187 41.418 18.682
334 HG23 ILE 45 HG23 ILE 45 31.549 42.003 18.310
335 HD11 ILE 45 HD11 ILE 45 32.263 44.589 14.262
336 HD12 ILE 45 HD12 ILE 45 33.531 45.171 15.348
337 HD13 ILE 45 HD13 ILE 45 33.655 43.561 14.620
338 H SER 46 H SER 46 32.485 46.408 17.929
339 HA SER 46 HA SER 46 34.750 47.714 16.676
340 HB2 SER 46 HB2 SER 46 32.098 48.758 17.734
341 HB3 SER 46 HB3 SER 46 33.258 49.686 16.796
342 HG SER 46 HG SER 46 32.942 48.449 15.043
343 H TYR 47 H TYR 47 35.714 46.695 19.075
344 HA TYR 47 HA TYR 47 35.849 48.728 21.108
345 HB2 TYR 47 HB2 TYR 47 37.150 47.109 22.294
346 HB3 TYR 47 HB3 TYR 47 35.623 46.480 21.749
347 HD1 TYR 47 HD1 TYR 47 35.586 44.433 20.571
348 HD2 TYR 47 HD2 TYR 47 39.250 46.683 20.810
349 HE1 TYR 47 HE1 TYR 47 36.734 42.726 19.193
350 HE2 TYR 47 HE2 TYR 47 40.355 45.059 19.403
351 HH TYR 47 HH TYR 47 40.170 43.118 18.179
352 H LEU 48 H LEU 48 37.326 48.740 18.232
353 HA LEU 48 HA LEU 48 40.064 49.548 19.058
354 HB2 LEU 48 HB2 LEU 48 38.733 49.027 16.386
355 HB3 LEU 48 HB3 LEU 48 40.357 49.571 16.537
356 HG LEU 48 HG LEU 48 39.370 46.974 17.770
357 HD11 LEU 48 HD11 LEU 48 39.038 46.749 15.438
358 HD12 LEU 48 HD12 LEU 48 40.530 47.598 15.031
359 HD13 LEU 48 HD13 LEU 48 40.578 45.970 15.761
360 HD21 LEU 48 HD21 LEU 48 41.457 47.800 18.759
361 HD22 LEU 48 HD22 LEU 48 41.823 46.432 17.720
362 HD23 LEU 48 HD23 LEU 48 42.169 48.090 17.163
Start of MODEL 18
1 H1 VAL 1 H1 VAL 1 24.362 12.402 31.679
2 H2 VAL 1 H2 VAL 1 23.651 11.014 32.224
3 H3 VAL 1 H3 VAL 1 24.190 12.132 33.293
4 HA VAL 1 HA VAL 1 21.903 12.285 31.470
5 HB VAL 1 HB VAL 1 20.584 12.841 33.439
6 HG11 VAL 1 HG11 VAL 1 20.817 10.476 32.743
7 HG12 VAL 1 HG12 VAL 1 22.151 10.283 33.908
8 HG13 VAL 1 HG13 VAL 1 20.521 10.664 34.481
9 HG21 VAL 1 HG21 VAL 1 23.068 12.311 35.116
10 HG22 VAL 1 HG22 VAL 1 22.305 13.896 34.879
11 HG23 VAL 1 HG23 VAL 1 21.432 12.605 35.714
12 H HIS 2 H HIS 2 20.670 14.283 31.427
13 HA HIS 2 HA HIS 2 20.528 16.454 30.830
14 HB2 HIS 2 HB2 HIS 2 20.537 16.374 33.412
15 HB3 HIS 2 HB3 HIS 2 22.120 17.138 33.293
16 HD2 HIS 2 HD2 HIS 2 18.396 17.737 32.358
17 HE1 HIS 2 HE1 HIS 2 20.304 21.554 32.375
18 HE2 HIS 2 HE2 HIS 2 18.059 20.351 32.178
19 H LYS 3 H LYS 3 22.602 18.570 31.609
20 HA LYS 3 HA LYS 3 23.663 18.895 29.118
21 HB2 LYS 3 HB2 LYS 3 24.883 20.724 29.826
22 HB3 LYS 3 HB3 LYS 3 23.405 20.690 30.774
23 HG2 LYS 3 HG2 LYS 3 26.068 19.585 31.794
24 HG3 LYS 3 HG3 LYS 3 25.611 21.264 31.947
25 HD2 LYS 3 HD2 LYS 3 23.767 20.793 33.368
26 HD3 LYS 3 HD3 LYS 3 23.847 19.046 33.050
27 HE2 LYS 3 HE2 LYS 3 25.743 18.694 34.270
28 HE3 LYS 3 HE3 LYS 3 26.318 20.347 34.056
29 HZ1 LYS 3 HZ1 LYS 3 24.628 21.114 35.602
30 HZ2 LYS 3 HZ2 LYS 3 24.099 19.586 35.888
31 HZ3 LYS 3 HZ3 LYS 3 25.607 20.030 36.348
32 H MET 4 H MET 4 25.546 18.797 28.030
33 HA MET 4 HA MET 4 28.000 17.720 29.190
34 HB2 MET 4 HB2 MET 4 28.235 15.946 27.443
35 HB3 MET 4 HB3 MET 4 27.046 15.624 28.698
36 HG2 MET 4 HG2 MET 4 25.226 16.331 27.131
37 HG3 MET 4 HG3 MET 4 26.422 16.490 25.850
38 HE1 MET 4 HE1 MET 4 28.376 13.996 26.162
39 HE2 MET 4 HE2 MET 4 27.511 12.824 25.152
40 HE3 MET 4 HE3 MET 4 27.604 14.526 24.648
41 H ALA 5 H ALA 5 28.250 20.025 28.737
42 HA ALA 5 HA ALA 5 28.910 21.856 27.677
43 HB1 ALA 5 HB1 ALA 5 30.176 20.044 25.622
44 HB2 ALA 5 HB2 ALA 5 30.635 21.700 26.051
45 HB3 ALA 5 HB3 ALA 5 30.841 20.399 27.236
46 H LYS 6 H LYS 6 26.499 20.093 26.018
47 HA LYS 6 HA LYS 6 26.457 21.888 23.636
48 HB2 LYS 6 HB2 LYS 6 25.111 19.231 24.198
49 HB3 LYS 6 HB3 LYS 6 24.723 20.255 22.814
50 HG2 LYS 6 HG2 LYS 6 27.071 20.186 22.067
51 HG3 LYS 6 HG3 LYS 6 27.481 19.115 23.427
52 HD2 LYS 6 HD2 LYS 6 25.959 17.393 22.606
53 HD3 LYS 6 HD3 LYS 6 25.342 18.488 21.347
54 HE2 LYS 6 HE2 LYS 6 27.626 18.611 20.358
55 HE3 LYS 6 HE3 LYS 6 28.197 17.440 21.561
56 HZ1 LYS 6 HZ1 LYS 6 26.680 15.823 20.670
57 HZ2 LYS 6 HZ2 LYS 6 25.992 16.937 19.650
58 HZ3 LYS 6 HZ3 LYS 6 27.542 16.454 19.404
59 H ASN 7 H ASN 7 25.596 22.408 26.509
60 HA ASN 7 HA ASN 7 23.174 23.870 25.757
61 HB2 ASN 7 HB2 ASN 7 23.570 22.465 28.420
62 HB3 ASN 7 HB3 ASN 7 22.265 23.602 28.072
63 HD21 ASN 7 HD21 ASN 7 20.763 21.280 25.605
64 HD22 ASN 7 HD22 ASN 7 21.323 22.933 25.581
65 H GLN 8 H GLN 8 26.291 24.030 26.602
66 HA GLN 8 HA GLN 8 26.145 26.960 27.104
67 HB2 GLN 8 HB2 GLN 8 28.273 26.729 28.349
68 HB3 GLN 8 HB3 GLN 8 26.864 26.084 29.162
69 HG2 GLN 8 HG2 GLN 8 28.564 24.183 27.521
70 HG3 GLN 8 HG3 GLN 8 29.188 24.755 29.053
71 HE21 GLN 8 HE21 GLN 8 27.820 24.554 30.955
72 HE22 GLN 8 HE22 GLN 8 26.710 23.205 31.095
73 H PHE 9 H PHE 9 26.047 25.770 24.582
74 HA PHE 9 HA PHE 9 26.895 26.238 22.528
75 HB2 PHE 9 HB2 PHE 9 28.744 28.142 23.961
76 HB3 PHE 9 HB3 PHE 9 28.205 28.266 22.296
77 HD1 PHE 9 HD1 PHE 9 25.818 28.685 21.687
78 HD2 PHE 9 HD2 PHE 9 27.220 29.012 25.751
79 HE1 PHE 9 HE1 PHE 9 23.743 29.898 22.318
80 HE2 PHE 9 HE2 PHE 9 25.156 30.244 26.362
81 HZ PHE 9 HZ PHE 9 23.418 30.676 24.647
82 H GLY 10 H GLY 10 28.459 24.169 24.227
83 HA2 GLY 10 HA2 GLY 10 30.287 22.793 23.865
84 HA3 GLY 10 HA3 GLY 10 30.561 23.580 22.306
85 H CYS 11 H CYS 11 30.465 25.356 25.428
86 HA CYS 11 HA CYS 11 33.398 25.286 25.687
87 HB2 CYS 11 HB2 CYS 11 32.599 27.309 24.278
88 HB3 CYS 11 HB3 CYS 11 32.113 27.964 25.850
89 H PHE 12 H PHE 12 34.018 24.930 27.682
90 HA PHE 12 HA PHE 12 32.385 25.772 29.954
91 HB2 PHE 12 HB2 PHE 12 31.834 23.585 30.754
92 HB3 PHE 12 HB3 PHE 12 31.291 23.663 29.106
93 HD1 PHE 12 HD1 PHE 12 33.222 21.837 31.502
94 HD2 PHE 12 HD2 PHE 12 32.890 22.602 27.268
95 HE1 PHE 12 HE1 PHE 12 34.652 19.875 31.040
96 HE2 PHE 12 HE2 PHE 12 34.331 20.631 26.802
97 HZ PHE 12 HZ PHE 12 35.239 19.287 28.687
98 H ALA 13 H ALA 13 33.367 24.709 32.053
99 HA ALA 13 HA ALA 13 35.044 24.859 33.534
100 HB1 ALA 13 HB1 ALA 13 36.853 23.225 33.173
101 HB2 ALA 13 HB2 ALA 13 35.260 22.589 32.741
102 HB3 ALA 13 HB3 ALA 13 36.379 23.096 31.463
103 H ASN 14 H ASN 14 35.047 27.095 31.631
104 HA ASN 14 HA ASN 14 36.164 28.799 30.836
105 HB2 ASN 14 HB2 ASN 14 36.745 28.711 33.494
106 HB3 ASN 14 HB3 ASN 14 38.381 28.710 32.804
107 HD21 ASN 14 HD21 ASN 14 38.090 31.852 31.409
108 HD22 ASN 14 HD22 ASN 14 38.901 30.297 31.184
109 H VAL 15 H VAL 15 36.720 26.352 29.497
110 HA VAL 15 HA VAL 15 39.586 26.487 28.711
111 HB VAL 15 HB VAL 15 37.427 24.511 27.922
112 HG11 VAL 15 HG11 VAL 15 39.232 24.438 26.273
113 HG12 VAL 15 HG12 VAL 15 40.450 24.406 27.582
114 HG13 VAL 15 HG13 VAL 15 39.353 23.043 27.318
115 HG21 VAL 15 HG21 VAL 15 38.556 22.943 29.478
116 HG22 VAL 15 HG22 VAL 15 39.678 24.230 29.976
117 HG23 VAL 15 HG23 VAL 15 37.950 24.338 30.352
118 H ASP 16 H ASP 16 39.778 26.249 26.189
119 HA ASP 16 HA ASP 16 37.945 28.164 24.862
120 HB2 ASP 16 HB2 ASP 16 39.949 29.468 25.220
121 HB3 ASP 16 HB3 ASP 16 40.989 28.130 24.758
122 H VAL 17 H VAL 17 37.006 26.317 24.943
123 HA VAL 17 HA VAL 17 37.657 23.967 23.517
124 HB VAL 17 HB VAL 17 34.944 25.046 24.246
125 HG11 VAL 17 HG11 VAL 17 34.890 22.915 23.047
126 HG12 VAL 17 HG12 VAL 17 36.098 22.223 24.156
127 HG13 VAL 17 HG13 VAL 17 34.462 22.620 24.713
128 HG21 VAL 17 HG21 VAL 17 36.858 23.616 26.095
129 HG22 VAL 17 HG22 VAL 17 36.198 25.280 26.324
130 HG23 VAL 17 HG23 VAL 17 35.149 23.872 26.458
131 H LYS 18 H LYS 18 36.540 23.139 21.670
132 HA LYS 18 HA LYS 18 36.964 24.854 19.429
133 HB2 LYS 18 HB2 LYS 18 35.646 22.115 19.440
134 HB3 LYS 18 HB3 LYS 18 36.390 22.908 18.063
135 HG2 LYS 18 HG2 LYS 18 37.882 21.978 20.559
136 HG3 LYS 18 HG3 LYS 18 37.781 21.106 19.034
137 HD2 LYS 18 HD2 LYS 18 38.980 22.902 17.861
138 HD3 LYS 18 HD3 LYS 18 39.047 23.859 19.358
139 HE2 LYS 18 HE2 LYS 18 40.375 22.157 20.468
140 HE3 LYS 18 HE3 LYS 18 40.232 21.067 19.081
141 HZ1 LYS 18 HZ1 LYS 18 41.527 22.605 17.767
142 HZ2 LYS 18 HZ2 LYS 18 41.563 23.713 18.962
143 HZ3 LYS 18 HZ3 LYS 18 42.386 22.284 19.113
144 H GLY 19 H GLY 19 33.986 24.377 21.162
145 HA2 GLY 19 HA2 GLY 19 32.141 24.870 18.994
146 HA3 GLY 19 HA3 GLY 19 31.816 25.023 20.724
147 H ASP 20 H ASP 20 33.658 27.002 21.400
148 HA ASP 20 HA ASP 20 33.802 29.174 21.748
149 HB2 ASP 20 HB2 ASP 20 34.526 28.966 19.162
150 HB3 ASP 20 HB3 ASP 20 33.151 30.084 18.991
151 H CYS 21 H CYS 21 32.816 31.083 22.227
152 HA CYS 21 HA CYS 21 29.846 31.179 22.189
153 HB2 CYS 21 HB2 CYS 21 31.842 33.036 23.514
154 HB3 CYS 21 HB3 CYS 21 30.117 32.967 23.828
155 H LYS 22 H LYS 22 32.507 32.417 20.414
156 HA LYS 22 HA LYS 22 32.045 34.977 19.743
157 HB2 LYS 22 HB2 LYS 22 33.840 33.535 18.860
158 HB3 LYS 22 HB3 LYS 22 32.681 32.630 17.903
159 HG2 LYS 22 HG2 LYS 22 33.862 34.056 16.416
160 HG3 LYS 22 HG3 LYS 22 32.227 34.683 16.538
161 HD2 LYS 22 HD2 LYS 22 33.634 36.555 16.558
162 HD3 LYS 22 HD3 LYS 22 33.151 36.364 18.250
163 HE2 LYS 22 HE2 LYS 22 35.292 35.319 18.801
164 HE3 LYS 22 HE3 LYS 22 35.740 35.226 17.088
165 HZ1 LYS 22 HZ1 LYS 22 35.368 37.783 18.569
166 HZ2 LYS 22 HZ2 LYS 22 36.816 37.121 18.202
167 HZ3 LYS 22 HZ3 LYS 22 35.850 37.622 17.005
168 H ARG 23 H ARG 23 30.037 32.341 18.357
169 HA ARG 23 HA ARG 23 28.563 34.159 16.545
170 HB2 ARG 23 HB2 ARG 23 28.734 31.218 17.027
171 HB3 ARG 23 HB3 ARG 23 27.134 31.804 16.614
172 HG2 ARG 23 HG2 ARG 23 28.317 31.075 14.626
173 HG3 ARG 23 HG3 ARG 23 27.944 32.797 14.550
174 HD2 ARG 23 HD2 ARG 23 30.178 32.317 13.689
175 HD3 ARG 23 HD3 ARG 23 30.262 33.369 15.108
176 HE ARG 23 HE ARG 23 30.552 30.651 15.968
177 HH11 ARG 23 HH11 ARG 23 32.417 32.987 14.113
178 HH12 ARG 23 HH12 ARG 23 33.927 32.232 14.568
179 HH21 ARG 23 HH21 ARG 23 32.424 29.789 16.476
180 HH22 ARG 23 HH22 ARG 23 33.941 30.482 15.877
181 H HIS 24 H HIS 24 27.885 32.534 19.619
182 HA HIS 24 HA HIS 24 25.172 33.322 19.940
183 HB2 HIS 24 HB2 HIS 24 26.055 31.659 21.356
184 HB3 HIS 24 HB3 HIS 24 27.450 32.625 21.806
185 HD2 HIS 24 HD2 HIS 24 27.367 33.427 24.181
186 HE1 HIS 24 HE1 HIS 24 23.179 34.064 24.653
187 HE2 HIS 24 HE2 HIS 24 25.441 34.213 25.817
188 H CYS 25 H CYS 25 28.149 35.077 20.897
189 HA CYS 25 HA CYS 25 26.617 37.438 21.694
190 HB2 CYS 25 HB2 CYS 25 29.558 36.801 21.430
191 HB3 CYS 25 HB3 CYS 25 28.970 38.393 21.905
192 H LYS 26 H LYS 26 27.939 36.422 18.604
193 HA LYS 26 HA LYS 26 28.307 38.904 17.326
194 HB2 LYS 26 HB2 LYS 26 28.681 36.386 16.593
195 HB3 LYS 26 HB3 LYS 26 27.094 36.545 15.864
196 HG2 LYS 26 HG2 LYS 26 29.667 38.047 15.225
197 HG3 LYS 26 HG3 LYS 26 28.876 36.810 14.275
198 HD2 LYS 26 HD2 LYS 26 28.195 38.574 13.060
199 HD3 LYS 26 HD3 LYS 26 26.874 38.601 14.234
200 HE2 LYS 26 HE2 LYS 26 28.159 40.297 15.568
201 HE3 LYS 26 HE3 LYS 26 29.473 40.224 14.381
202 HZ1 LYS 26 HZ1 LYS 26 27.922 42.098 14.048
203 HZ2 LYS 26 HZ2 LYS 26 27.958 41.104 12.717
204 HZ3 LYS 26 HZ3 LYS 26 26.699 41.045 13.756
205 H ALA 27 H ALA 27 25.249 37.205 17.999
206 HA ALA 27 HA ALA 27 23.519 38.725 16.329
207 HB1 ALA 27 HB1 ALA 27 22.916 36.601 17.431
208 HB2 ALA 27 HB2 ALA 27 22.996 37.392 19.023
209 HB3 ALA 27 HB3 ALA 27 21.759 37.878 17.845
210 H GLU 28 H GLU 28 24.955 39.584 19.431
211 HA GLU 28 HA GLU 28 23.364 42.106 19.591
212 HB2 GLU 28 HB2 GLU 28 25.150 40.794 21.655
213 HB3 GLU 28 HB3 GLU 28 24.164 42.232 21.898
214 HG2 GLU 28 HG2 GLU 28 22.659 39.823 21.026
215 HG3 GLU 28 HG3 GLU 28 23.430 39.698 22.585
216 H ASP 29 H ASP 29 25.835 41.248 17.853
217 HA ASP 29 HA ASP 29 27.716 42.025 17.024
218 HB2 ASP 29 HB2 ASP 29 26.052 43.993 16.715
219 HB3 ASP 29 HB3 ASP 29 27.073 44.842 17.871
220 H LYS 30 H LYS 30 27.956 40.930 19.584
221 HA LYS 30 HA LYS 30 30.297 42.409 20.728
222 HB2 LYS 30 HB2 LYS 30 28.410 40.479 22.134
223 HB3 LYS 30 HB3 LYS 30 29.790 41.313 22.860
224 HG2 LYS 30 HG2 LYS 30 27.296 42.646 21.795
225 HG3 LYS 30 HG3 LYS 30 27.608 42.287 23.482
226 HD2 LYS 30 HD2 LYS 30 29.462 43.779 23.596
227 HD3 LYS 30 HD3 LYS 30 29.481 44.049 21.847
228 HE2 LYS 30 HE2 LYS 30 27.124 44.801 23.613
229 HE3 LYS 30 HE3 LYS 30 28.418 45.923 23.189
230 HZ1 LYS 30 HZ1 LYS 30 26.505 46.098 21.692
231 HZ2 LYS 30 HZ2 LYS 30 27.821 45.657 20.838
232 HZ3 LYS 30 HZ3 LYS 30 26.653 44.561 21.210
233 H GLU 31 H GLU 31 31.995 41.315 21.596
234 HA GLU 31 HA GLU 31 32.945 38.872 20.298
235 HB2 GLU 31 HB2 GLU 31 33.804 40.180 22.915
236 HB3 GLU 31 HB3 GLU 31 34.703 38.933 22.080
237 HG2 GLU 31 HG2 GLU 31 34.161 41.637 20.782
238 HG3 GLU 31 HG3 GLU 31 35.541 41.318 21.828
239 H GLY 32 H GLY 32 33.248 36.786 21.375
240 HA2 GLY 32 HA2 GLY 32 31.429 36.291 23.716
241 HA3 GLY 32 HA3 GLY 32 31.545 35.166 22.379
242 H ILE 33 H ILE 33 32.433 35.373 25.455
243 HA ILE 33 HA ILE 33 34.809 33.696 25.048
244 HB ILE 33 HB ILE 33 35.835 34.926 27.138
245 HG12 ILE 33 HG12 ILE 33 35.739 37.392 26.904
246 HG13 ILE 33 HG13 ILE 33 34.421 37.248 25.748
247 HG21 ILE 33 HG21 ILE 33 36.901 34.575 24.928
248 HG22 ILE 33 HG22 ILE 33 36.117 36.045 24.320
249 HG23 ILE 33 HG23 ILE 33 37.305 36.141 25.632
250 HD11 ILE 33 HD11 ILE 33 32.959 36.339 27.516
251 HD12 ILE 33 HD12 ILE 33 34.338 36.309 28.635
252 HD13 ILE 33 HD13 ILE 33 33.690 37.859 28.061
253 H CYS 34 H CYS 34 35.185 32.164 26.644
254 HA CYS 34 HA CYS 34 32.655 31.447 27.936
255 HB2 CYS 34 HB2 CYS 34 35.035 29.641 28.029
256 HB3 CYS 34 HB3 CYS 34 33.328 29.270 27.808
257 H HIS 35 H HIS 35 32.225 31.976 29.968
258 HA HIS 35 HA HIS 35 34.428 32.118 32.003
259 HB2 HIS 35 HB2 HIS 35 31.774 33.514 31.841
260 HB3 HIS 35 HB3 HIS 35 32.521 33.195 33.402
261 HD2 HIS 35 HD2 HIS 35 33.133 35.267 30.212
262 HE1 HIS 35 HE1 HIS 35 35.888 36.636 33.164
263 HE2 HIS 35 HE2 HIS 35 34.959 37.091 30.846
264 H GLY 36 H GLY 36 34.723 30.340 33.116
265 HA2 GLY 36 HA2 GLY 36 34.324 28.333 34.224
266 HA3 GLY 36 HA3 GLY 36 32.739 28.989 34.638
267 H THR 37 H THR 37 31.288 27.401 34.189
268 HA THR 37 HA THR 37 31.472 25.698 31.791
269 HB THR 37 HB THR 37 29.415 24.632 32.866
270 HG1 THR 37 HG1 THR 37 29.452 25.207 35.194
271 HG21 THR 37 HG21 THR 37 31.690 23.674 33.122
272 HG22 THR 37 HG22 THR 37 31.978 24.734 34.524
273 HG23 THR 37 HG23 THR 37 30.719 23.482 34.579
274 H LYS 38 H LYS 38 30.682 28.739 31.786
275 HA LYS 38 HA LYS 38 28.207 28.522 30.131
276 HB2 LYS 38 HB2 LYS 38 28.829 30.702 32.161
277 HB3 LYS 38 HB3 LYS 38 27.324 30.474 31.288
278 HG2 LYS 38 HG2 LYS 38 28.436 28.641 33.465
279 HG3 LYS 38 HG3 LYS 38 27.185 29.829 33.689
280 HD2 LYS 38 HD2 LYS 38 26.857 27.542 31.725
281 HD3 LYS 38 HD3 LYS 38 26.467 27.398 33.447
282 HE2 LYS 38 HE2 LYS 38 24.934 29.425 33.156
283 HE3 LYS 38 HE3 LYS 38 25.230 29.290 31.414
284 HZ1 LYS 38 HZ1 LYS 38 23.271 28.085 31.843
285 HZ2 LYS 38 HZ2 LYS 38 24.401 26.918 31.653
286 HZ3 LYS 38 HZ3 LYS 38 23.868 27.289 33.148
287 H CYS 39 H CYS 39 27.817 30.421 28.752
288 HA CYS 39 HA CYS 39 30.330 31.747 27.800
289 HB2 CYS 39 HB2 CYS 39 27.650 31.125 26.599
290 HB3 CYS 39 HB3 CYS 39 28.599 32.436 25.951
291 H LYS 40 H LYS 40 30.593 33.958 27.657
292 HA LYS 40 HA LYS 40 28.357 35.800 28.320
293 HB2 LYS 40 HB2 LYS 40 31.141 35.991 29.552
294 HB3 LYS 40 HB3 LYS 40 29.910 37.246 29.620
295 HG2 LYS 40 HG2 LYS 40 28.388 35.538 30.768
296 HG3 LYS 40 HG3 LYS 40 29.815 34.509 30.921
297 HD2 LYS 40 HD2 LYS 40 29.709 35.638 32.978
298 HD3 LYS 40 HD3 LYS 40 30.946 36.535 32.082
299 HE2 LYS 40 HE2 LYS 40 29.086 38.179 31.413
300 HE3 LYS 40 HE3 LYS 40 28.012 37.286 32.495
301 HZ1 LYS 40 HZ1 LYS 40 29.730 37.757 34.273
302 HZ2 LYS 40 HZ2 LYS 40 30.431 38.812 33.247
303 HZ3 LYS 40 HZ3 LYS 40 28.911 39.096 33.759
304 H CYS 41 H CYS 41 29.022 38.107 27.690
305 HA CYS 41 HA CYS 41 30.607 37.955 25.186
306 HB2 CYS 41 HB2 CYS 41 28.648 40.128 25.914
307 HB3 CYS 41 HB3 CYS 41 29.530 39.920 24.426
308 H GLY 42 H GLY 42 31.942 39.673 24.542
309 HA2 GLY 42 HA2 GLY 42 33.648 40.582 26.798
310 HA3 GLY 42 HA3 GLY 42 34.134 40.425 25.118
311 H VAL 43 H VAL 43 33.684 42.128 23.659
312 HA VAL 43 HA VAL 43 32.436 44.618 24.617
313 HB VAL 43 HB VAL 43 34.312 45.947 23.744
314 HG11 VAL 43 HG11 VAL 43 36.012 45.498 25.369
315 HG12 VAL 43 HG12 VAL 43 34.416 45.248 26.097
316 HG13 VAL 43 HG13 VAL 43 35.406 43.849 25.621
317 HG21 VAL 43 HG21 VAL 43 35.103 44.516 21.925
318 HG22 VAL 43 HG22 VAL 43 36.414 44.969 23.008
319 HG23 VAL 43 HG23 VAL 43 35.718 43.338 23.098
320 HA PRO 44 HA PRO 44 30.779 45.133 20.437
321 HB2 PRO 44 HB2 PRO 44 32.493 47.652 20.496
322 HB3 PRO 44 HB3 PRO 44 30.863 47.448 19.796
323 HG2 PRO 44 HG2 PRO 44 31.115 48.512 22.244
324 HG3 PRO 44 HG3 PRO 44 29.901 47.206 21.995
325 HD2 PRO 44 HD2 PRO 44 32.644 47.000 23.225
326 HD3 PRO 44 HD3 PRO 44 31.123 46.199 23.695
327 H ILE 45 H ILE 45 31.367 44.063 18.662
328 HA ILE 45 HA ILE 45 34.082 43.285 18.103
329 HB ILE 45 HB ILE 45 33.180 42.100 16.207
330 HG12 ILE 45 HG12 ILE 45 30.432 42.428 16.142
331 HG13 ILE 45 HG13 ILE 45 30.949 44.072 16.396
332 HG21 ILE 45 HG21 ILE 45 32.854 41.176 18.460
333 HG22 ILE 45 HG22 ILE 45 31.250 41.936 18.517
334 HG23 ILE 45 HG23 ILE 45 31.588 40.676 17.326
335 HD11 ILE 45 HD11 ILE 45 31.679 42.222 14.107
336 HD12 ILE 45 HD12 ILE 45 30.808 43.759 14.044
337 HD13 ILE 45 HD13 ILE 45 32.537 43.750 14.389
338 H SER 46 H SER 46 32.289 46.037 17.086
339 HA SER 46 HA SER 46 32.584 47.661 15.568
340 HB2 SER 46 HB2 SER 46 35.189 47.589 17.064
341 HB3 SER 46 HB3 SER 46 34.315 48.998 16.406
342 HG SER 46 HG SER 46 33.734 47.400 18.617
343 H TYR 47 H TYR 47 32.764 45.813 13.793
344 HA TYR 47 HA TYR 47 33.705 44.870 11.980
345 HB2 TYR 47 HB2 TYR 47 34.202 47.816 11.521
346 HB3 TYR 47 HB3 TYR 47 34.187 46.575 10.281
347 HD1 TYR 47 HD1 TYR 47 32.128 45.337 9.689
348 HD2 TYR 47 HD2 TYR 47 32.096 48.727 12.351
349 HE1 TYR 47 HE1 TYR 47 29.687 45.620 9.299
350 HE2 TYR 47 HE2 TYR 47 29.640 48.995 11.978
351 HH TYR 47 HH TYR 47 27.770 48.165 10.924
352 H LEU 48 H LEU 48 35.662 44.569 14.042
353 HA LEU 48 HA LEU 48 38.291 45.020 12.858
354 HB2 LEU 48 HB2 LEU 48 37.858 45.354 15.258
355 HB3 LEU 48 HB3 LEU 48 37.253 43.705 15.407
356 HG LEU 48 HG LEU 48 39.467 42.822 14.848
357 HD11 LEU 48 HD11 LEU 48 40.395 45.720 15.085
358 HD12 LEU 48 HD12 LEU 48 41.440 44.284 14.949
359 HD13 LEU 48 HD13 LEU 48 40.397 44.750 13.597
360 HD21 LEU 48 HD21 LEU 48 38.823 43.074 17.183
361 HD22 LEU 48 HD22 LEU 48 39.381 44.764 17.192
362 HD23 LEU 48 HD23 LEU 48 40.542 43.436 17.009
Start of MODEL 19
1 H1 VAL 1 H1 VAL 1 18.181 20.291 27.069
2 H2 VAL 1 H2 VAL 1 17.635 18.956 27.844
3 H3 VAL 1 H3 VAL 1 17.631 18.994 26.204
4 HA VAL 1 HA VAL 1 19.403 17.601 26.971
5 HB VAL 1 HB VAL 1 21.394 18.788 25.993
6 HG11 VAL 1 HG11 VAL 1 20.602 18.631 23.726
7 HG12 VAL 1 HG12 VAL 1 19.849 17.344 24.679
8 HG13 VAL 1 HG13 VAL 1 18.916 18.793 24.233
9 HG21 VAL 1 HG21 VAL 1 20.712 21.139 26.469
10 HG22 VAL 1 HG22 VAL 1 21.101 20.849 24.768
11 HG23 VAL 1 HG23 VAL 1 19.423 20.971 25.243
12 H HIS 2 H HIS 2 21.516 17.456 28.011
13 HA HIS 2 HA HIS 2 21.351 18.547 30.726
14 HB2 HIS 2 HB2 HIS 2 23.400 16.743 29.399
15 HB3 HIS 2 HB3 HIS 2 23.272 17.059 31.127
16 HD2 HIS 2 HD2 HIS 2 22.261 14.584 28.629
17 HE1 HIS 2 HE1 HIS 2 19.208 14.189 31.564
18 HE2 HIS 2 HE2 HIS 2 20.253 13.141 29.474
19 H LYS 3 H LYS 3 22.965 19.737 31.802
20 HA LYS 3 HA LYS 3 24.106 21.846 30.156
21 HB2 LYS 3 HB2 LYS 3 24.761 22.879 32.397
22 HB3 LYS 3 HB3 LYS 3 23.083 22.754 31.934
23 HG2 LYS 3 HG2 LYS 3 23.460 22.244 34.320
24 HG3 LYS 3 HG3 LYS 3 22.636 20.991 33.426
25 HD2 LYS 3 HD2 LYS 3 24.125 19.886 34.883
26 HD3 LYS 3 HD3 LYS 3 24.826 19.741 33.266
27 HE2 LYS 3 HE2 LYS 3 26.407 21.575 33.781
28 HE3 LYS 3 HE3 LYS 3 25.673 21.774 35.376
29 HZ1 LYS 3 HZ1 LYS 3 26.868 19.207 34.496
30 HZ2 LYS 3 HZ2 LYS 3 27.725 20.361 35.292
31 HZ3 LYS 3 HZ3 LYS 3 26.427 19.640 36.014
32 H MET 4 H MET 4 25.419 19.846 29.220
33 HA MET 4 HA MET 4 28.209 20.277 30.093
34 HB2 MET 4 HB2 MET 4 28.677 17.810 29.782
35 HB3 MET 4 HB3 MET 4 27.905 18.316 31.282
36 HG2 MET 4 HG2 MET 4 25.750 17.524 30.547
37 HG3 MET 4 HG3 MET 4 26.374 17.119 28.942
38 HE1 MET 4 HE1 MET 4 25.451 13.821 31.162
39 HE2 MET 4 HE2 MET 4 24.822 15.443 31.451
40 HE3 MET 4 HE3 MET 4 24.904 14.807 29.784
41 H ALA 5 H ALA 5 28.912 21.263 28.432
42 HA ALA 5 HA ALA 5 29.066 22.193 26.433
43 HB1 ALA 5 HB1 ALA 5 29.992 20.673 24.700
44 HB2 ALA 5 HB2 ALA 5 30.642 20.314 26.315
45 HB3 ALA 5 HB3 ALA 5 29.374 19.285 25.604
46 H LYS 6 H LYS 6 26.088 20.980 26.920
47 HA LYS 6 HA LYS 6 25.217 21.587 24.109
48 HB2 LYS 6 HB2 LYS 6 23.963 19.794 26.207
49 HB3 LYS 6 HB3 LYS 6 23.214 20.245 24.664
50 HG2 LYS 6 HG2 LYS 6 25.116 19.331 23.419
51 HG3 LYS 6 HG3 LYS 6 25.878 18.816 24.938
52 HD2 LYS 6 HD2 LYS 6 24.070 17.281 25.412
53 HD3 LYS 6 HD3 LYS 6 23.141 17.865 24.006
54 HE2 LYS 6 HE2 LYS 6 25.011 17.178 22.503
55 HE3 LYS 6 HE3 LYS 6 25.904 16.567 23.899
56 HZ1 LYS 6 HZ1 LYS 6 23.280 15.552 22.945
57 HZ2 LYS 6 HZ2 LYS 6 24.741 14.808 22.794
58 HZ3 LYS 6 HZ3 LYS 6 24.070 15.004 24.282
59 H ASN 7 H ASN 7 25.484 23.150 26.921
60 HA ASN 7 HA ASN 7 23.148 24.900 26.264
61 HB2 ASN 7 HB2 ASN 7 23.992 24.070 29.080
62 HB3 ASN 7 HB3 ASN 7 22.855 25.370 28.713
63 HD21 ASN 7 HD21 ASN 7 20.380 22.977 27.470
64 HD22 ASN 7 HD22 ASN 7 21.117 24.470 26.888
65 H GLN 8 H GLN 8 26.465 24.644 27.048
66 HA GLN 8 HA GLN 8 26.760 27.571 27.430
67 HB2 GLN 8 HB2 GLN 8 28.916 27.002 28.490
68 HB3 GLN 8 HB3 GLN 8 27.503 26.399 29.308
69 HG2 GLN 8 HG2 GLN 8 28.950 24.572 27.346
70 HG3 GLN 8 HG3 GLN 8 29.656 24.876 28.928
71 HE21 GLN 8 HE21 GLN 8 28.396 24.454 30.841
72 HE22 GLN 8 HE22 GLN 8 27.232 23.131 30.795
73 H PHE 9 H PHE 9 26.407 26.298 24.783
74 HA PHE 9 HA PHE 9 27.233 26.553 22.678
75 HB2 PHE 9 HB2 PHE 9 29.198 28.575 23.803
76 HB3 PHE 9 HB3 PHE 9 28.527 28.497 22.180
77 HD1 PHE 9 HD1 PHE 9 26.118 29.046 21.738
78 HD2 PHE 9 HD2 PHE 9 27.896 29.575 25.631
79 HE1 PHE 9 HE1 PHE 9 24.157 30.393 22.455
80 HE2 PHE 9 HE2 PHE 9 25.932 30.932 26.343
81 HZ PHE 9 HZ PHE 9 24.064 31.324 24.759
82 H GLY 10 H GLY 10 28.257 24.446 24.258
83 HA2 GLY 10 HA2 GLY 10 29.874 22.809 24.270
84 HA3 GLY 10 HA3 GLY 10 30.539 23.515 22.807
85 H CYS 11 H CYS 11 30.570 25.834 25.374
86 HA CYS 11 HA CYS 11 33.516 25.493 25.597
87 HB2 CYS 11 HB2 CYS 11 32.388 27.341 24.249
88 HB3 CYS 11 HB3 CYS 11 31.913 28.005 25.818
89 H PHE 12 H PHE 12 34.333 25.064 27.459
90 HA PHE 12 HA PHE 12 33.015 25.907 29.950
91 HB2 PHE 12 HB2 PHE 12 32.586 23.745 30.805
92 HB3 PHE 12 HB3 PHE 12 31.882 23.773 29.217
93 HD1 PHE 12 HD1 PHE 12 34.125 22.071 31.455
94 HD2 PHE 12 HD2 PHE 12 33.210 22.624 27.277
95 HE1 PHE 12 HE1 PHE 12 35.349 19.989 30.919
96 HE2 PHE 12 HE2 PHE 12 34.413 20.514 26.741
97 HZ PHE 12 HZ PHE 12 35.488 19.196 28.555
98 H ALA 13 H ALA 13 34.307 24.934 31.921
99 HA ALA 13 HA ALA 13 36.176 25.031 33.140
100 HB1 ALA 13 HB1 ALA 13 36.376 22.776 32.281
101 HB2 ALA 13 HB2 ALA 13 37.306 23.365 30.883
102 HB3 ALA 13 HB3 ALA 13 37.979 23.495 32.527
103 H ASN 14 H ASN 14 35.768 27.300 31.523
104 HA ASN 14 HA ASN 14 36.689 29.165 30.643
105 HB2 ASN 14 HB2 ASN 14 38.902 28.483 32.609
106 HB3 ASN 14 HB3 ASN 14 38.794 30.017 31.740
107 HD21 ASN 14 HD21 ASN 14 36.769 29.502 35.062
108 HD22 ASN 14 HD22 ASN 14 37.847 28.241 34.464
109 H VAL 15 H VAL 15 37.089 26.772 28.994
110 HA VAL 15 HA VAL 15 39.731 27.188 27.723
111 HB VAL 15 HB VAL 15 37.616 25.104 27.119
112 HG11 VAL 15 HG11 VAL 15 39.160 25.131 25.255
113 HG12 VAL 15 HG12 VAL 15 40.558 25.325 26.352
114 HG13 VAL 15 HG13 VAL 15 39.644 23.813 26.271
115 HG21 VAL 15 HG21 VAL 15 38.485 24.842 29.454
116 HG22 VAL 15 HG22 VAL 15 39.056 23.548 28.424
117 HG23 VAL 15 HG23 VAL 15 40.141 24.893 28.838
118 H ASP 16 H ASP 16 39.404 26.865 25.141
119 HA ASP 16 HA ASP 16 37.206 28.536 24.116
120 HB2 ASP 16 HB2 ASP 16 39.242 30.003 24.070
121 HB3 ASP 16 HB3 ASP 16 40.125 28.763 23.178
122 H VAL 17 H VAL 17 36.166 26.902 23.892
123 HA VAL 17 HA VAL 17 37.202 24.479 22.591
124 HB VAL 17 HB VAL 17 34.519 24.866 23.826
125 HG11 VAL 17 HG11 VAL 17 34.833 22.453 24.409
126 HG12 VAL 17 HG12 VAL 17 34.916 22.769 22.682
127 HG13 VAL 17 HG13 VAL 17 36.410 22.501 23.613
128 HG21 VAL 17 HG21 VAL 17 35.344 24.030 26.019
129 HG22 VAL 17 HG22 VAL 17 36.995 24.096 25.384
130 HG23 VAL 17 HG23 VAL 17 36.055 25.608 25.653
131 H LYS 18 H LYS 18 36.170 23.559 20.820
132 HA LYS 18 HA LYS 18 35.351 25.601 18.954
133 HB2 LYS 18 HB2 LYS 18 35.949 22.679 18.483
134 HB3 LYS 18 HB3 LYS 18 35.620 23.855 17.215
135 HG2 LYS 18 HG2 LYS 18 37.944 23.975 19.169
136 HG3 LYS 18 HG3 LYS 18 38.001 23.550 17.458
137 HD2 LYS 18 HD2 LYS 18 38.591 25.714 17.183
138 HD3 LYS 18 HD3 LYS 18 36.857 26.013 17.266
139 HE2 LYS 18 HE2 LYS 18 37.176 26.351 19.802
140 HE3 LYS 18 HE3 LYS 18 38.917 26.255 19.506
141 HZ1 LYS 18 HZ1 LYS 18 38.345 28.515 19.503
142 HZ2 LYS 18 HZ2 LYS 18 38.528 28.161 17.893
143 HZ3 LYS 18 HZ3 LYS 18 37.018 28.321 18.581
144 H GLY 19 H GLY 19 33.250 24.770 20.900
145 HA2 GLY 19 HA2 GLY 19 30.966 24.509 18.987
146 HA3 GLY 19 HA3 GLY 19 30.865 24.722 20.739
147 H ASP 20 H ASP 20 32.973 26.793 20.689
148 HA ASP 20 HA ASP 20 33.259 28.952 20.818
149 HB2 ASP 20 HB2 ASP 20 32.513 28.732 17.920
150 HB3 ASP 20 HB3 ASP 20 33.115 30.216 18.658
151 H CYS 21 H CYS 21 32.243 30.165 22.119
152 HA CYS 21 HA CYS 21 29.452 30.883 21.919
153 HB2 CYS 21 HB2 CYS 21 30.923 30.622 24.036
154 HB3 CYS 21 HB3 CYS 21 31.667 32.143 23.586
155 H LYS 22 H LYS 22 32.400 32.310 20.711
156 HA LYS 22 HA LYS 22 31.770 34.886 20.006
157 HB2 LYS 22 HB2 LYS 22 33.828 33.575 19.331
158 HB3 LYS 22 HB3 LYS 22 32.869 32.768 18.096
159 HG2 LYS 22 HG2 LYS 22 33.963 34.427 16.877
160 HG3 LYS 22 HG3 LYS 22 32.389 35.143 17.144
161 HD2 LYS 22 HD2 LYS 22 33.827 36.912 17.626
162 HD3 LYS 22 HD3 LYS 22 33.511 36.274 19.248
163 HE2 LYS 22 HE2 LYS 22 35.644 34.880 18.990
164 HE3 LYS 22 HE3 LYS 22 35.920 35.712 17.454
165 HZ1 LYS 22 HZ1 LYS 22 35.916 36.878 20.160
166 HZ2 LYS 22 HZ2 LYS 22 37.137 36.912 19.049
167 HZ3 LYS 22 HZ3 LYS 22 35.796 37.843 18.848
168 H ARG 23 H ARG 23 30.357 32.011 18.341
169 HA ARG 23 HA ARG 23 28.978 33.570 16.318
170 HB2 ARG 23 HB2 ARG 23 28.488 30.733 17.338
171 HB3 ARG 23 HB3 ARG 23 27.654 31.463 15.981
172 HG2 ARG 23 HG2 ARG 23 29.259 30.510 14.733
173 HG3 ARG 23 HG3 ARG 23 30.179 31.949 15.146
174 HD2 ARG 23 HD2 ARG 23 31.620 30.054 15.537
175 HD3 ARG 23 HD3 ARG 23 31.162 30.681 17.106
176 HE ARG 23 HE ARG 23 30.139 28.672 17.591
177 HH11 ARG 23 HH11 ARG 23 30.526 28.700 14.065
178 HH12 ARG 23 HH12 ARG 23 29.824 27.085 13.957
179 HH21 ARG 23 HH21 ARG 23 29.614 26.594 17.301
180 HH22 ARG 23 HH22 ARG 23 29.490 25.911 15.675
181 H HIS 24 H HIS 24 27.989 32.580 19.558
182 HA HIS 24 HA HIS 24 25.221 33.455 19.282
183 HB2 HIS 24 HB2 HIS 24 25.529 31.948 21.015
184 HB3 HIS 24 HB3 HIS 24 27.071 32.617 21.509
185 HD2 HIS 24 HD2 HIS 24 26.946 33.542 23.847
186 HE1 HIS 24 HE1 HIS 24 23.057 35.277 23.797
187 HE2 HIS 24 HE2 HIS 24 25.128 34.870 25.229
188 H CYS 25 H CYS 25 28.160 34.973 20.627
189 HA CYS 25 HA CYS 25 26.799 37.464 21.140
190 HB2 CYS 25 HB2 CYS 25 29.697 36.603 21.128
191 HB3 CYS 25 HB3 CYS 25 29.189 38.215 21.608
192 H LYS 26 H LYS 26 28.585 36.347 18.280
193 HA LYS 26 HA LYS 26 29.047 38.823 16.999
194 HB2 LYS 26 HB2 LYS 26 30.042 36.692 16.295
195 HB3 LYS 26 HB3 LYS 26 28.459 36.056 15.881
196 HG2 LYS 26 HG2 LYS 26 29.567 36.511 13.880
197 HG3 LYS 26 HG3 LYS 26 28.309 37.719 14.000
198 HD2 LYS 26 HD2 LYS 26 31.204 38.284 14.799
199 HD3 LYS 26 HD3 LYS 26 30.645 38.389 13.127
200 HE2 LYS 26 HE2 LYS 26 28.906 40.038 13.812
201 HE3 LYS 26 HE3 LYS 26 29.561 40.022 15.452
202 HZ1 LYS 26 HZ1 LYS 26 30.469 41.863 14.219
203 HZ2 LYS 26 HZ2 LYS 26 31.702 40.780 14.493
204 HZ3 LYS 26 HZ3 LYS 26 31.041 40.886 13.016
205 H ALA 27 H ALA 27 26.081 36.916 17.143
206 HA ALA 27 HA ALA 27 24.525 38.291 15.205
207 HB1 ALA 27 HB1 ALA 27 23.715 36.884 17.781
208 HB2 ALA 27 HB2 ALA 27 22.647 37.244 16.404
209 HB3 ALA 27 HB3 ALA 27 23.987 36.102 16.205
210 H GLU 28 H GLU 28 25.516 39.368 18.390
211 HA GLU 28 HA GLU 28 23.741 41.766 18.117
212 HB2 GLU 28 HB2 GLU 28 24.850 40.709 20.721
213 HB3 GLU 28 HB3 GLU 28 23.690 42.011 20.477
214 HG2 GLU 28 HG2 GLU 28 22.580 39.634 19.266
215 HG3 GLU 28 HG3 GLU 28 23.221 39.195 20.840
216 H ASP 29 H ASP 29 26.428 41.000 17.032
217 HA ASP 29 HA ASP 29 28.494 41.724 16.700
218 HB2 ASP 29 HB2 ASP 29 26.879 43.536 15.840
219 HB3 ASP 29 HB3 ASP 29 27.506 44.529 17.158
220 H LYS 30 H LYS 30 28.275 40.764 19.206
221 HA LYS 30 HA LYS 30 30.210 42.383 20.821
222 HB2 LYS 30 HB2 LYS 30 28.375 40.134 21.724
223 HB3 LYS 30 HB3 LYS 30 29.491 41.047 22.739
224 HG2 LYS 30 HG2 LYS 30 27.048 42.156 21.340
225 HG3 LYS 30 HG3 LYS 30 27.114 41.654 23.023
226 HD2 LYS 30 HD2 LYS 30 28.734 43.346 23.589
227 HD3 LYS 30 HD3 LYS 30 28.904 43.850 21.898
228 HE2 LYS 30 HE2 LYS 30 26.265 43.942 23.417
229 HE3 LYS 30 HE3 LYS 30 27.357 45.324 23.289
230 HZ1 LYS 30 HZ1 LYS 30 27.100 45.292 20.894
231 HZ2 LYS 30 HZ2 LYS 30 26.206 43.938 20.913
232 HZ3 LYS 30 HZ3 LYS 30 25.603 45.312 21.563
233 H GLU 31 H GLU 31 31.881 41.188 21.921
234 HA GLU 31 HA GLU 31 32.955 38.791 20.530
235 HB2 GLU 31 HB2 GLU 31 33.898 40.174 23.063
236 HB3 GLU 31 HB3 GLU 31 34.769 38.915 22.199
237 HG2 GLU 31 HG2 GLU 31 34.152 41.619 20.918
238 HG3 GLU 31 HG3 GLU 31 35.548 41.347 21.931
239 H GLY 32 H GLY 32 33.191 36.696 21.709
240 HA2 GLY 32 HA2 GLY 32 31.186 36.325 23.929
241 HA3 GLY 32 HA3 GLY 32 31.395 35.159 22.641
242 H ILE 33 H ILE 33 32.082 35.668 25.806
243 HA ILE 33 HA ILE 33 34.544 34.020 25.710
244 HB ILE 33 HB ILE 33 35.261 35.385 27.817
245 HG12 ILE 33 HG12 ILE 33 35.011 37.820 27.481
246 HG13 ILE 33 HG13 ILE 33 33.779 37.525 26.242
247 HG21 ILE 33 HG21 ILE 33 35.677 36.359 24.967
248 HG22 ILE 33 HG22 ILE 33 36.743 36.674 26.354
249 HG23 ILE 33 HG23 ILE 33 36.554 35.023 25.749
250 HD11 ILE 33 HD11 ILE 33 33.575 36.582 29.128
251 HD12 ILE 33 HD12 ILE 33 32.891 38.119 28.542
252 HD13 ILE 33 HD13 ILE 33 32.288 36.572 27.932
253 H CYS 34 H CYS 34 34.541 32.262 26.754
254 HA CYS 34 HA CYS 34 32.241 31.574 28.312
255 HB2 CYS 34 HB2 CYS 34 34.541 29.688 27.911
256 HB3 CYS 34 HB3 CYS 34 32.818 29.372 27.829
257 H HIS 35 H HIS 35 32.346 32.651 30.299
258 HA HIS 35 HA HIS 35 34.619 32.244 32.126
259 HB2 HIS 35 HB2 HIS 35 32.022 33.768 32.290
260 HB3 HIS 35 HB3 HIS 35 33.036 33.499 33.703
261 HD2 HIS 35 HD2 HIS 35 32.466 36.111 31.258
262 HE1 HIS 35 HE1 HIS 35 36.499 36.717 32.513
263 HE2 HIS 35 HE2 HIS 35 34.484 37.799 31.419
264 H GLY 36 H GLY 36 34.871 30.331 32.978
265 HA2 GLY 36 HA2 GLY 36 34.565 28.562 34.423
266 HA3 GLY 36 HA3 GLY 36 32.934 29.104 34.771
267 H THR 37 H THR 37 31.471 27.582 34.227
268 HA THR 37 HA THR 37 31.856 25.856 31.820
269 HB THR 37 HB THR 37 30.133 24.397 32.826
270 HG1 THR 37 HG1 THR 37 29.204 24.877 34.558
271 HG21 THR 37 HG21 THR 37 31.519 23.380 34.573
272 HG22 THR 37 HG22 THR 37 32.469 23.775 33.135
273 HG23 THR 37 HG23 THR 37 32.581 24.809 34.579
274 H LYS 38 H LYS 38 30.498 28.677 32.543
275 HA LYS 38 HA LYS 38 28.214 28.391 30.629
276 HB2 LYS 38 HB2 LYS 38 28.600 30.384 32.908
277 HB3 LYS 38 HB3 LYS 38 27.215 30.316 31.827
278 HG2 LYS 38 HG2 LYS 38 27.990 28.265 33.942
279 HG3 LYS 38 HG3 LYS 38 26.669 29.426 33.992
280 HD2 LYS 38 HD2 LYS 38 25.675 28.255 31.954
281 HD3 LYS 38 HD3 LYS 38 26.950 27.043 32.127
282 HE2 LYS 38 HE2 LYS 38 24.993 26.163 33.196
283 HE3 LYS 38 HE3 LYS 38 26.149 26.579 34.468
284 HZ1 LYS 38 HZ1 LYS 38 23.837 27.323 34.917
285 HZ2 LYS 38 HZ2 LYS 38 24.878 28.574 34.922
286 HZ3 LYS 38 HZ3 LYS 38 23.895 28.337 33.634
287 H CYS 39 H CYS 39 27.767 30.662 29.607
288 HA CYS 39 HA CYS 39 30.329 32.106 29.061
289 HB2 CYS 39 HB2 CYS 39 29.695 30.531 27.183
290 HB3 CYS 39 HB3 CYS 39 28.237 31.514 26.960
291 H LYS 40 H LYS 40 30.192 34.210 28.327
292 HA LYS 40 HA LYS 40 27.674 35.781 28.521
293 HB2 LYS 40 HB2 LYS 40 30.321 36.259 29.974
294 HB3 LYS 40 HB3 LYS 40 29.212 37.583 29.637
295 HG2 LYS 40 HG2 LYS 40 27.429 36.394 30.916
296 HG3 LYS 40 HG3 LYS 40 28.575 35.104 31.302
297 HD2 LYS 40 HD2 LYS 40 30.058 36.733 32.377
298 HD3 LYS 40 HD3 LYS 40 28.925 38.064 31.986
299 HE2 LYS 40 HE2 LYS 40 27.192 36.909 33.363
300 HE3 LYS 40 HE3 LYS 40 28.383 35.663 33.791
301 HZ1 LYS 40 HZ1 LYS 40 28.329 37.432 35.510
302 HZ2 LYS 40 HZ2 LYS 40 29.777 37.447 34.725
303 HZ3 LYS 40 HZ3 LYS 40 28.649 38.566 34.354
304 H CYS 41 H CYS 41 27.930 37.887 27.380
305 HA CYS 41 HA CYS 41 30.034 37.792 25.278
306 HB2 CYS 41 HB2 CYS 41 27.838 39.839 25.553
307 HB3 CYS 41 HB3 CYS 41 29.037 39.702 24.296
308 H GLY 42 H GLY 42 31.424 39.508 24.894
309 HA2 GLY 42 HA2 GLY 42 32.631 40.470 27.404
310 HA3 GLY 42 HA3 GLY 42 33.401 40.371 25.811
311 H VAL 43 H VAL 43 33.197 42.031 24.380
312 HA VAL 43 HA VAL 43 31.717 44.482 25.069
313 HB VAL 43 HB VAL 43 33.731 45.777 24.291
314 HG11 VAL 43 HG11 VAL 43 34.394 43.908 26.588
315 HG12 VAL 43 HG12 VAL 43 35.088 45.513 26.280
316 HG13 VAL 43 HG13 VAL 43 33.373 45.364 26.704
317 HG21 VAL 43 HG21 VAL 43 35.903 44.745 24.056
318 HG22 VAL 43 HG22 VAL 43 35.249 43.137 24.399
319 HG23 VAL 43 HG23 VAL 43 34.801 43.986 22.904
320 HA PRO 44 HA PRO 44 30.612 44.711 20.695
321 HB2 PRO 44 HB2 PRO 44 31.992 47.398 20.761
322 HB3 PRO 44 HB3 PRO 44 30.422 46.958 20.007
323 HG2 PRO 44 HG2 PRO 44 30.487 48.220 22.421
324 HG3 PRO 44 HG3 PRO 44 29.359 46.848 22.147
325 HD2 PRO 44 HD2 PRO 44 31.998 46.824 23.610
326 HD3 PRO 44 HD3 PRO 44 30.466 46.009 24.008
327 H ILE 45 H ILE 45 31.623 44.127 18.761
328 HA ILE 45 HA ILE 45 34.277 43.128 19.052
329 HB ILE 45 HB ILE 45 34.067 42.324 16.760
330 HG12 ILE 45 HG12 ILE 45 31.495 42.685 15.952
331 HG13 ILE 45 HG13 ILE 45 31.781 44.267 16.620
332 HG21 ILE 45 HG21 ILE 45 32.192 40.817 17.212
333 HG22 ILE 45 HG22 ILE 45 33.108 41.116 18.692
334 HG23 ILE 45 HG23 ILE 45 31.562 41.941 18.425
335 HD11 ILE 45 HD11 ILE 45 33.458 42.894 14.462
336 HD12 ILE 45 HD12 ILE 45 32.266 44.192 14.211
337 HD13 ILE 45 HD13 ILE 45 33.746 44.514 15.117
338 H SER 46 H SER 46 33.218 46.100 17.601
339 HA SER 46 HA SER 46 34.222 47.760 16.494
340 HB2 SER 46 HB2 SER 46 35.993 47.246 18.862
341 HB3 SER 46 HB3 SER 46 35.724 48.796 18.035
342 HG SER 46 HG SER 46 34.425 48.179 20.020
343 H TYR 47 H TYR 47 35.063 45.541 15.073
344 HA TYR 47 HA TYR 47 36.662 44.589 13.802
345 HB2 TYR 47 HB2 TYR 47 36.608 47.478 12.997
346 HB3 TYR 47 HB3 TYR 47 37.300 46.187 12.011
347 HD1 TYR 47 HD1 TYR 47 35.778 44.086 11.589
348 HD2 TYR 47 HD2 TYR 47 34.285 47.982 12.684
349 HE1 TYR 47 HE1 TYR 47 33.541 43.462 10.721
350 HE2 TYR 47 HE2 TYR 47 32.040 47.362 11.789
351 HH TYR 47 HH TYR 47 31.415 44.147 10.336
352 H LEU 48 H LEU 48 37.807 44.417 15.976
353 HA LEU 48 HA LEU 48 40.664 45.200 15.752
354 HB2 LEU 48 HB2 LEU 48 39.499 46.030 17.735
355 HB3 LEU 48 HB3 LEU 48 38.800 44.444 18.043
356 HG LEU 48 HG LEU 48 40.986 43.528 18.579
357 HD11 LEU 48 HD11 LEU 48 42.448 45.010 17.231
358 HD12 LEU 48 HD12 LEU 48 41.961 46.397 18.223
359 HD13 LEU 48 HD13 LEU 48 42.918 45.079 18.937
360 HD21 LEU 48 HD21 LEU 48 40.360 46.092 20.102
361 HD22 LEU 48 HD22 LEU 48 39.571 44.525 20.347
362 HD23 LEU 48 HD23 LEU 48 41.294 44.709 20.717
Start of MODEL 20
1 H1 VAL 1 H1 VAL 1 18.449 18.189 32.898
2 H2 VAL 1 H2 VAL 1 17.467 19.340 33.544
3 H3 VAL 1 H3 VAL 1 19.013 19.144 34.097
4 HA VAL 1 HA VAL 1 18.211 20.040 31.421
5 HB VAL 1 HB VAL 1 17.716 21.735 33.001
6 HG11 VAL 1 HG11 VAL 1 19.344 22.916 34.348
7 HG12 VAL 1 HG12 VAL 1 19.272 21.225 34.846
8 HG13 VAL 1 HG13 VAL 1 20.630 21.799 33.866
9 HG21 VAL 1 HG21 VAL 1 18.541 22.345 30.758
10 HG22 VAL 1 HG22 VAL 1 18.892 23.573 31.979
11 HG23 VAL 1 HG23 VAL 1 20.188 22.497 31.408
12 H HIS 2 H HIS 2 19.554 19.466 29.886
13 HA HIS 2 HA HIS 2 22.055 18.220 30.436
14 HB2 HIS 2 HB2 HIS 2 20.821 19.035 27.788
15 HB3 HIS 2 HB3 HIS 2 22.173 17.920 27.989
16 HD2 HIS 2 HD2 HIS 2 19.003 17.394 26.873
17 HE1 HIS 2 HE1 HIS 2 18.902 14.638 30.113
18 HE2 HIS 2 HE2 HIS 2 17.750 15.351 27.963
19 H LYS 3 H LYS 3 22.898 20.300 31.610
20 HA LYS 3 HA LYS 3 24.375 22.165 29.869
21 HB2 LYS 3 HB2 LYS 3 24.826 21.712 32.824
22 HB3 LYS 3 HB3 LYS 3 25.262 23.116 31.867
23 HG2 LYS 3 HG2 LYS 3 22.390 22.332 32.502
24 HG3 LYS 3 HG3 LYS 3 23.391 23.350 33.524
25 HD2 LYS 3 HD2 LYS 3 23.664 24.945 31.562
26 HD3 LYS 3 HD3 LYS 3 22.399 23.996 30.731
27 HE2 LYS 3 HE2 LYS 3 20.859 24.380 32.639
28 HE3 LYS 3 HE3 LYS 3 22.127 25.246 33.508
29 HZ1 LYS 3 HZ1 LYS 3 20.974 26.121 30.929
30 HZ2 LYS 3 HZ2 LYS 3 20.571 26.749 32.380
31 HZ3 LYS 3 HZ3 LYS 3 22.090 26.957 31.806
32 H MET 4 H MET 4 25.134 19.826 28.892
33 HA MET 4 HA MET 4 27.840 19.226 30.067
34 HB2 MET 4 HB2 MET 4 27.512 16.857 29.377
35 HB3 MET 4 HB3 MET 4 26.573 17.403 30.760
36 HG2 MET 4 HG2 MET 4 24.548 17.502 29.497
37 HG3 MET 4 HG3 MET 4 25.396 17.248 27.961
38 HE1 MET 4 HE1 MET 4 23.092 14.047 28.926
39 HE2 MET 4 HE2 MET 4 22.864 15.652 29.643
40 HE3 MET 4 HE3 MET 4 23.164 15.500 27.898
41 H ALA 5 H ALA 5 28.420 20.935 28.582
42 HA ALA 5 HA ALA 5 28.891 21.918 26.606
43 HB1 ALA 5 HB1 ALA 5 29.854 19.150 25.863
44 HB2 ALA 5 HB2 ALA 5 30.362 20.687 25.137
45 HB3 ALA 5 HB3 ALA 5 30.742 20.350 26.837
46 H LYS 6 H LYS 6 26.192 21.007 26.845
47 HA LYS 6 HA LYS 6 25.353 21.064 23.961
48 HB2 LYS 6 HB2 LYS 6 24.108 19.505 26.232
49 HB3 LYS 6 HB3 LYS 6 23.303 19.830 24.687
50 HG2 LYS 6 HG2 LYS 6 25.205 18.789 23.468
51 HG3 LYS 6 HG3 LYS 6 25.978 18.415 25.012
52 HD2 LYS 6 HD2 LYS 6 23.974 17.021 25.624
53 HD3 LYS 6 HD3 LYS 6 23.345 17.301 23.974
54 HE2 LYS 6 HE2 LYS 6 25.425 16.362 23.020
55 HE3 LYS 6 HE3 LYS 6 26.096 16.166 24.642
56 HZ1 LYS 6 HZ1 LYS 6 24.227 14.599 25.085
57 HZ2 LYS 6 HZ2 LYS 6 23.814 14.678 23.495
58 HZ3 LYS 6 HZ3 LYS 6 25.286 14.098 23.939
59 H ASN 7 H ASN 7 25.538 22.976 26.643
60 HA ASN 7 HA ASN 7 23.336 24.688 25.635
61 HB2 ASN 7 HB2 ASN 7 23.347 23.488 28.392
62 HB3 ASN 7 HB3 ASN 7 22.660 25.089 28.139
63 HD21 ASN 7 HD21 ASN 7 20.704 21.860 26.646
64 HD22 ASN 7 HD22 ASN 7 22.184 21.692 27.564
65 H GLN 8 H GLN 8 26.448 24.491 26.562
66 HA GLN 8 HA GLN 8 26.689 27.379 27.222
67 HB2 GLN 8 HB2 GLN 8 28.895 26.810 28.171
68 HB3 GLN 8 HB3 GLN 8 27.471 26.277 29.007
69 HG2 GLN 8 HG2 GLN 8 28.744 24.325 27.065
70 HG3 GLN 8 HG3 GLN 8 29.596 24.669 28.576
71 HE21 GLN 8 HE21 GLN 8 26.939 23.642 30.718
72 HE22 GLN 8 HE22 GLN 8 28.216 24.788 30.520
73 H PHE 9 H PHE 9 26.381 26.101 24.500
74 HA PHE 9 HA PHE 9 27.233 26.306 22.397
75 HB2 PHE 9 HB2 PHE 9 28.990 28.487 23.544
76 HB3 PHE 9 HB3 PHE 9 28.480 28.310 21.872
77 HD1 PHE 9 HD1 PHE 9 26.169 28.728 21.138
78 HD2 PHE 9 HD2 PHE 9 27.343 29.312 25.240
79 HE1 PHE 9 HE1 PHE 9 24.016 29.883 21.589
80 HE2 PHE 9 HE2 PHE 9 25.184 30.474 25.702
81 HZ PHE 9 HZ PHE 9 23.520 30.737 23.875
82 H GLY 10 H GLY 10 28.244 24.268 23.867
83 HA2 GLY 10 HA2 GLY 10 29.931 22.699 24.005
84 HA3 GLY 10 HA3 GLY 10 30.606 23.440 22.549
85 H CYS 11 H CYS 11 30.501 25.738 25.131
86 HA CYS 11 HA CYS 11 33.443 25.541 25.351
87 HB2 CYS 11 HB2 CYS 11 32.138 27.470 24.197
88 HB3 CYS 11 HB3 CYS 11 31.827 27.987 25.854
89 H PHE 12 H PHE 12 34.296 25.018 27.180
90 HA PHE 12 HA PHE 12 32.991 25.661 29.698
91 HB2 PHE 12 HB2 PHE 12 32.435 23.542 30.440
92 HB3 PHE 12 HB3 PHE 12 31.850 23.535 28.813
93 HD1 PHE 12 HD1 PHE 12 33.420 21.585 31.200
94 HD2 PHE 12 HD2 PHE 12 33.842 22.648 27.026
95 HE1 PHE 12 HE1 PHE 12 34.771 19.538 30.823
96 HE2 PHE 12 HE2 PHE 12 35.171 20.582 26.641
97 HZ PHE 12 HZ PHE 12 35.648 19.053 28.538
98 H ALA 13 H ALA 13 34.345 24.230 31.508
99 HA ALA 13 HA ALA 13 36.275 24.228 32.671
100 HB1 ALA 13 HB1 ALA 13 37.367 23.114 30.067
101 HB2 ALA 13 HB2 ALA 13 38.095 22.928 31.673
102 HB3 ALA 13 HB3 ALA 13 36.514 22.195 31.324
103 H ASN 14 H ASN 14 35.658 26.730 31.442
104 HA ASN 14 HA ASN 14 36.367 28.752 31.044
105 HB2 ASN 14 HB2 ASN 14 37.757 27.906 33.275
106 HB3 ASN 14 HB3 ASN 14 39.061 28.547 32.254
107 HD21 ASN 14 HD21 ASN 14 37.930 31.788 32.328
108 HD22 ASN 14 HD22 ASN 14 38.816 30.628 31.330
109 H VAL 15 H VAL 15 36.961 26.831 28.826
110 HA VAL 15 HA VAL 15 39.518 27.879 27.729
111 HB VAL 15 HB VAL 15 37.753 25.652 26.667
112 HG11 VAL 15 HG11 VAL 15 39.284 26.123 24.890
113 HG12 VAL 15 HG12 VAL 15 40.614 26.490 26.034
114 HG13 VAL 15 HG13 VAL 15 40.052 24.840 25.760
115 HG21 VAL 15 HG21 VAL 15 38.507 25.045 28.912
116 HG22 VAL 15 HG22 VAL 15 39.411 24.117 27.742
117 HG23 VAL 15 HG23 VAL 15 40.173 25.535 28.504
118 H ASP 16 H ASP 16 39.118 27.793 25.075
119 HA ASP 16 HA ASP 16 36.715 29.300 24.362
120 HB2 ASP 16 HB2 ASP 16 38.718 30.961 24.586
121 HB3 ASP 16 HB3 ASP 16 39.494 30.069 23.277
122 H VAL 17 H VAL 17 36.205 27.300 24.243
123 HA VAL 17 HA VAL 17 37.339 25.394 22.436
124 HB VAL 17 HB VAL 17 34.561 25.361 23.555
125 HG11 VAL 17 HG11 VAL 17 35.099 23.531 22.081
126 HG12 VAL 17 HG12 VAL 17 36.614 23.207 22.955
127 HG13 VAL 17 HG13 VAL 17 35.046 22.901 23.715
128 HG21 VAL 17 HG21 VAL 17 37.029 24.480 25.083
129 HG22 VAL 17 HG22 VAL 17 35.940 25.834 25.567
130 HG23 VAL 17 HG23 VAL 17 35.363 24.167 25.584
131 H LYS 18 H LYS 18 36.408 24.621 20.498
132 HA LYS 18 HA LYS 18 35.471 26.827 18.895
133 HB2 LYS 18 HB2 LYS 18 36.304 24.034 18.107
134 HB3 LYS 18 HB3 LYS 18 35.807 25.266 16.949
135 HG2 LYS 18 HG2 LYS 18 38.254 25.293 18.741
136 HG3 LYS 18 HG3 LYS 18 38.151 25.257 16.984
137 HD2 LYS 18 HD2 LYS 18 38.622 27.471 17.175
138 HD3 LYS 18 HD3 LYS 18 36.876 27.599 17.372
139 HE2 LYS 18 HE2 LYS 18 37.425 27.257 19.934
140 HE3 LYS 18 HE3 LYS 18 39.077 27.645 19.477
141 HZ1 LYS 18 HZ1 LYS 18 36.711 29.401 19.078
142 HZ2 LYS 18 HZ2 LYS 18 37.847 29.590 20.243
143 HZ3 LYS 18 HZ3 LYS 18 38.285 29.796 18.686
144 H GLY 19 H GLY 19 33.396 24.923 20.552
145 HA2 GLY 19 HA2 GLY 19 31.165 25.138 18.646
146 HA3 GLY 19 HA3 GLY 19 31.040 24.970 20.407
147 H ASP 20 H ASP 20 32.914 27.193 20.778
148 HA ASP 20 HA ASP 20 33.155 29.294 21.184
149 HB2 ASP 20 HB2 ASP 20 32.471 29.176 18.316
150 HB3 ASP 20 HB3 ASP 20 32.525 30.778 19.048
151 H CYS 21 H CYS 21 32.207 30.157 22.747
152 HA CYS 21 HA CYS 21 29.528 31.214 22.813
153 HB2 CYS 21 HB2 CYS 21 30.974 30.740 24.826
154 HB3 CYS 21 HB3 CYS 21 32.130 31.936 24.258
155 H LYS 22 H LYS 22 32.671 32.409 21.767
156 HA LYS 22 HA LYS 22 32.282 35.061 21.026
157 HB2 LYS 22 HB2 LYS 22 34.361 33.650 20.820
158 HB3 LYS 22 HB3 LYS 22 33.637 32.829 19.452
159 HG2 LYS 22 HG2 LYS 22 35.081 34.342 18.459
160 HG3 LYS 22 HG3 LYS 22 33.516 35.109 18.284
161 HD2 LYS 22 HD2 LYS 22 35.191 36.740 18.891
162 HD3 LYS 22 HD3 LYS 22 34.009 36.610 20.178
163 HE2 LYS 22 HE2 LYS 22 36.303 36.854 21.028
164 HE3 LYS 22 HE3 LYS 22 35.585 35.328 21.557
165 HZ1 LYS 22 HZ1 LYS 22 36.876 34.187 19.849
166 HZ2 LYS 22 HZ2 LYS 22 37.478 35.599 19.274
167 HZ3 LYS 22 HZ3 LYS 22 37.898 35.094 20.759
168 H ARG 23 H ARG 23 31.241 32.206 19.034
169 HA ARG 23 HA ARG 23 30.290 33.886 16.866
170 HB2 ARG 23 HB2 ARG 23 30.075 30.931 17.557
171 HB3 ARG 23 HB3 ARG 23 29.369 31.632 16.088
172 HG2 ARG 23 HG2 ARG 23 31.547 32.390 15.304
173 HG3 ARG 23 HG3 ARG 23 32.330 31.923 16.818
174 HD2 ARG 23 HD2 ARG 23 32.786 30.283 15.064
175 HD3 ARG 23 HD3 ARG 23 31.855 29.572 16.394
176 HE ARG 23 HE ARG 23 30.259 30.573 14.169
177 HH11 ARG 23 HH11 ARG 23 31.974 27.738 15.324
178 HH12 ARG 23 HH12 ARG 23 30.743 26.641 14.703
179 HH21 ARG 23 HH21 ARG 23 28.919 29.106 13.157
180 HH22 ARG 23 HH22 ARG 23 29.317 27.397 13.199
181 H HIS 24 H HIS 24 28.668 32.329 19.618
182 HA HIS 24 HA HIS 24 25.976 33.094 18.869
183 HB2 HIS 24 HB2 HIS 24 25.954 31.508 20.497
184 HB3 HIS 24 HB3 HIS 24 27.400 32.100 21.290
185 HD2 HIS 24 HD2 HIS 24 27.195 33.506 23.376
186 HE1 HIS 24 HE1 HIS 24 22.955 33.765 23.607
187 HE2 HIS 24 HE2 HIS 24 25.100 34.206 24.849
188 H CYS 25 H CYS 25 28.388 34.738 20.988
189 HA CYS 25 HA CYS 25 26.848 37.108 21.359
190 HB2 CYS 25 HB2 CYS 25 29.783 36.419 21.570
191 HB3 CYS 25 HB3 CYS 25 29.207 38.044 21.878
192 H LYS 26 H LYS 26 29.138 36.289 18.709
193 HA LYS 26 HA LYS 26 29.304 38.940 17.740
194 HB2 LYS 26 HB2 LYS 26 30.815 36.939 17.289
195 HB3 LYS 26 HB3 LYS 26 29.714 36.495 15.996
196 HG2 LYS 26 HG2 LYS 26 30.456 38.190 14.641
197 HG3 LYS 26 HG3 LYS 26 30.554 39.358 15.953
198 HD2 LYS 26 HD2 LYS 26 32.635 37.193 15.422
199 HD3 LYS 26 HD3 LYS 26 32.750 38.886 14.933
200 HE2 LYS 26 HE2 LYS 26 32.508 39.534 17.379
201 HE3 LYS 26 HE3 LYS 26 32.662 37.827 17.790
202 HZ1 LYS 26 HZ1 LYS 26 34.725 39.358 16.283
203 HZ2 LYS 26 HZ2 LYS 26 34.793 39.022 17.901
204 HZ3 LYS 26 HZ3 LYS 26 34.866 37.824 16.769
205 H ALA 27 H ALA 27 26.695 36.692 17.247
206 HA ALA 27 HA ALA 27 25.417 38.196 15.102
207 HB1 ALA 27 HB1 ALA 27 24.418 36.166 17.120
208 HB2 ALA 27 HB2 ALA 27 23.457 36.792 15.760
209 HB3 ALA 27 HB3 ALA 27 24.927 35.844 15.451
210 H GLU 28 H GLU 28 25.609 38.563 18.591
211 HA GLU 28 HA GLU 28 23.516 40.668 18.669
212 HB2 GLU 28 HB2 GLU 28 25.277 39.538 20.872
213 HB3 GLU 28 HB3 GLU 28 23.976 40.698 21.081
214 HG2 GLU 28 HG2 GLU 28 23.104 38.202 19.765
215 HG3 GLU 28 HG3 GLU 28 23.756 37.975 21.375
216 H ASP 29 H ASP 29 26.360 40.590 17.334
217 HA ASP 29 HA ASP 29 28.116 41.845 16.870
218 HB2 ASP 29 HB2 ASP 29 26.366 44.163 17.715
219 HB3 ASP 29 HB3 ASP 29 27.887 44.302 16.833
220 H LYS 30 H LYS 30 28.267 40.531 19.322
221 HA LYS 30 HA LYS 30 30.221 42.289 20.766
222 HB2 LYS 30 HB2 LYS 30 28.496 40.090 21.965
223 HB3 LYS 30 HB3 LYS 30 29.628 41.135 22.829
224 HG2 LYS 30 HG2 LYS 30 27.072 42.044 21.482
225 HG3 LYS 30 HG3 LYS 30 27.244 41.697 23.193
226 HD2 LYS 30 HD2 LYS 30 28.766 43.496 23.551
227 HD3 LYS 30 HD3 LYS 30 28.967 43.796 21.820
228 HE2 LYS 30 HE2 LYS 30 26.320 44.091 23.276
229 HE3 LYS 30 HE3 LYS 30 27.431 45.431 22.978
230 HZ1 LYS 30 HZ1 LYS 30 25.682 45.238 21.284
231 HZ2 LYS 30 HZ2 LYS 30 27.159 45.141 20.622
232 HZ3 LYS 30 HZ3 LYS 30 26.247 43.769 20.809
233 H GLU 31 H GLU 31 31.872 41.157 21.975
234 HA GLU 31 HA GLU 31 32.981 38.712 20.701
235 HB2 GLU 31 HB2 GLU 31 33.828 40.104 23.264
236 HB3 GLU 31 HB3 GLU 31 34.736 38.895 22.380
237 HG2 GLU 31 HG2 GLU 31 34.122 41.735 21.421
238 HG3 GLU 31 HG3 GLU 31 35.620 41.193 22.124
239 H GLY 32 H GLY 32 33.453 36.802 22.226
240 HA2 GLY 32 HA2 GLY 32 31.510 36.560 24.470
241 HA3 GLY 32 HA3 GLY 32 31.560 35.301 23.259
242 H ILE 33 H ILE 33 32.280 35.632 26.232
243 HA ILE 33 HA ILE 33 34.760 34.020 26.131
244 HB ILE 33 HB ILE 33 35.100 34.925 28.578
245 HG12 ILE 33 HG12 ILE 33 34.868 37.395 28.669
246 HG13 ILE 33 HG13 ILE 33 33.823 37.349 27.252
247 HG21 ILE 33 HG21 ILE 33 36.757 36.492 27.625
248 HG22 ILE 33 HG22 ILE 33 36.713 34.979 26.710
249 HG23 ILE 33 HG23 ILE 33 35.924 36.429 26.058
250 HD11 ILE 33 HD11 ILE 33 32.602 37.560 29.418
251 HD12 ILE 33 HD12 ILE 33 32.140 36.098 28.544
252 HD13 ILE 33 HD13 ILE 33 33.251 35.984 29.928
253 H CYS 34 H CYS 34 34.855 32.196 27.196
254 HA CYS 34 HA CYS 34 32.369 31.242 28.442
255 HB2 CYS 34 HB2 CYS 34 34.739 29.505 27.907
256 HB3 CYS 34 HB3 CYS 34 33.028 29.102 27.895
257 H HIS 35 H HIS 35 32.305 31.973 30.518
258 HA HIS 35 HA HIS 35 34.633 31.663 32.331
259 HB2 HIS 35 HB2 HIS 35 33.238 32.787 33.997
260 HB3 HIS 35 HB3 HIS 35 33.495 33.729 32.538
261 HD2 HIS 35 HD2 HIS 35 31.305 33.763 30.750
262 HE1 HIS 35 HE1 HIS 35 28.471 33.394 33.927
263 HE2 HIS 35 HE2 HIS 35 28.754 33.945 31.464
264 H GLY 36 H GLY 36 35.043 29.712 33.124
265 HA2 GLY 36 HA2 GLY 36 34.759 27.658 34.176
266 HA3 GLY 36 HA3 GLY 36 33.184 28.227 34.734
267 H THR 37 H THR 37 31.568 26.913 34.113
268 HA THR 37 HA THR 37 31.601 25.515 31.491
269 HB THR 37 HB THR 37 29.497 24.462 32.317
270 HG1 THR 37 HG1 THR 37 28.833 24.721 34.270
271 HG21 THR 37 HG21 THR 37 30.492 23.016 34.024
272 HG22 THR 37 HG22 THR 37 31.463 23.183 32.564
273 HG23 THR 37 HG23 THR 37 31.934 24.057 34.050
274 H LYS 38 H LYS 38 30.911 28.597 32.189
275 HA LYS 38 HA LYS 38 28.206 28.681 30.918
276 HB2 LYS 38 HB2 LYS 38 29.539 30.866 32.491
277 HB3 LYS 38 HB3 LYS 38 27.834 30.677 32.154
278 HG2 LYS 38 HG2 LYS 38 29.522 29.117 34.131
279 HG3 LYS 38 HG3 LYS 38 28.296 30.329 34.496
280 HD2 LYS 38 HD2 LYS 38 26.550 28.830 33.523
281 HD3 LYS 38 HD3 LYS 38 27.780 27.585 33.268
282 HE2 LYS 38 HE2 LYS 38 26.959 28.795 35.947
283 HE3 LYS 38 HE3 LYS 38 26.475 27.213 35.333
284 HZ1 LYS 38 HZ1 LYS 38 28.324 26.960 36.851
285 HZ2 LYS 38 HZ2 LYS 38 28.870 26.598 35.349
286 HZ3 LYS 38 HZ3 LYS 38 29.256 28.025 36.042
287 H CYS 39 H CYS 39 27.736 30.626 29.608
288 HA CYS 39 HA CYS 39 30.115 31.808 28.199
289 HB2 CYS 39 HB2 CYS 39 29.101 30.284 26.711
290 HB3 CYS 39 HB3 CYS 39 27.479 30.771 27.178
291 H LYS 40 H LYS 40 30.205 33.985 27.978
292 HA LYS 40 HA LYS 40 27.797 35.688 28.338
293 HB2 LYS 40 HB2 LYS 40 30.114 35.580 30.200
294 HB3 LYS 40 HB3 LYS 40 29.925 37.140 29.489
295 HG2 LYS 40 HG2 LYS 40 27.453 37.076 30.188
296 HG3 LYS 40 HG3 LYS 40 27.845 35.609 31.089
297 HD2 LYS 40 HD2 LYS 40 27.952 37.475 32.629
298 HD3 LYS 40 HD3 LYS 40 29.610 36.923 32.339
299 HE2 LYS 40 HE2 LYS 40 29.762 38.758 30.536
300 HE3 LYS 40 HE3 LYS 40 28.201 39.346 31.104
301 HZ1 LYS 40 HZ1 LYS 40 29.191 39.865 33.206
302 HZ2 LYS 40 HZ2 LYS 40 30.567 39.063 32.878
303 HZ3 LYS 40 HZ3 LYS 40 30.216 40.442 32.045
304 H CYS 41 H CYS 41 28.186 37.921 27.523
305 HA CYS 41 HA CYS 41 30.179 37.898 25.342
306 HB2 CYS 41 HB2 CYS 41 28.008 39.927 25.788
307 HB3 CYS 41 HB3 CYS 41 29.136 39.837 24.460
308 H GLY 42 H GLY 42 31.485 39.694 24.927
309 HA2 GLY 42 HA2 GLY 42 32.791 40.715 27.416
310 HA3 GLY 42 HA3 GLY 42 33.561 40.511 25.842
311 H VAL 43 H VAL 43 33.344 42.098 24.279
312 HA VAL 43 HA VAL 43 31.911 44.606 24.919
313 HB VAL 43 HB VAL 43 33.831 45.901 24.098
314 HG11 VAL 43 HG11 VAL 43 34.799 43.984 26.235
315 HG12 VAL 43 HG12 VAL 43 35.328 45.650 25.932
316 HG13 VAL 43 HG13 VAL 43 33.683 45.343 26.506
317 HG21 VAL 43 HG21 VAL 43 35.305 43.261 23.805
318 HG22 VAL 43 HG22 VAL 43 34.822 44.356 22.497
319 HG23 VAL 43 HG23 VAL 43 36.022 44.878 23.677
320 HA PRO 44 HA PRO 44 30.560 44.581 20.664
321 HB2 PRO 44 HB2 PRO 44 31.804 47.267 20.320
322 HB3 PRO 44 HB3 PRO 44 30.171 46.733 19.881
323 HG2 PRO 44 HG2 PRO 44 30.612 48.223 22.145
324 HG3 PRO 44 HG3 PRO 44 29.416 46.884 22.129
325 HD2 PRO 44 HD2 PRO 44 32.190 46.886 23.313
326 HD3 PRO 44 HD3 PRO 44 30.696 46.104 23.871
327 H ILE 45 H ILE 45 31.180 44.362 18.527
328 HA ILE 45 HA ILE 45 33.833 43.406 17.975
329 HB ILE 45 HB ILE 45 32.947 43.509 15.536
330 HG12 ILE 45 HG12 ILE 45 30.635 43.608 15.139
331 HG13 ILE 45 HG13 ILE 45 30.200 43.769 16.818
332 HG21 ILE 45 HG21 ILE 45 33.073 41.540 16.972
333 HG22 ILE 45 HG22 ILE 45 31.488 41.919 17.694
334 HG23 ILE 45 HG23 ILE 45 31.623 41.495 15.962
335 HD11 ILE 45 HD11 ILE 45 31.566 45.931 15.183
336 HD12 ILE 45 HD12 ILE 45 29.819 45.795 15.435
337 HD13 ILE 45 HD13 ILE 45 30.861 46.100 16.826
338 H SER 46 H SER 46 32.470 46.547 17.523
339 HA SER 46 HA SER 46 34.253 47.467 15.505
340 HB2 SER 46 HB2 SER 46 33.057 49.650 15.937
341 HB3 SER 46 HB3 SER 46 32.032 48.251 15.622
342 HG SER 46 HG SER 46 31.276 49.492 17.366
343 H TYR 47 H TYR 47 35.669 46.581 17.780
344 HA TYR 47 HA TYR 47 37.277 48.979 18.582
345 HB2 TYR 47 HB2 TYR 47 36.454 46.585 20.277
346 HB3 TYR 47 HB3 TYR 47 37.698 47.733 20.713
347 HD1 TYR 47 HD1 TYR 47 37.065 49.372 22.266
348 HD2 TYR 47 HD2 TYR 47 34.065 47.779 19.610
349 HE1 TYR 47 HE1 TYR 47 35.324 50.797 23.340
350 HE2 TYR 47 HE2 TYR 47 32.392 49.325 20.552
351 HH TYR 47 HH TYR 47 31.975 50.964 22.057
352 H LEU 48 H LEU 48 37.620 45.298 18.559
353 HA LEU 48 HA LEU 48 39.888 45.657 16.699
354 HB2 LEU 48 HB2 LEU 48 40.910 45.464 18.874
355 HB3 LEU 48 HB3 LEU 48 39.877 44.107 19.305
356 HG LEU 48 HG LEU 48 40.904 42.719 17.588
357 HD11 LEU 48 HD11 LEU 48 43.035 43.446 16.506
358 HD12 LEU 48 HD12 LEU 48 41.680 44.441 15.983
359 HD13 LEU 48 HD13 LEU 48 42.820 45.073 17.185
360 HD21 LEU 48 HD21 LEU 48 43.097 42.423 18.693
361 HD22 LEU 48 HD22 LEU 48 42.940 44.017 19.460
362 HD23 LEU 48 HD23 LEU 48 41.818 42.701 19.875
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