Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
535308 | 2lo7 RC | 17987 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 16.059 19.755 38.248
2 H2 GLY 1 H2 GLY 1 17.156 19.009 37.279
3 H3 GLY 1 H3 GLY 1 16.131 20.114 36.639
4 HA2 GLY 1 HA2 GLY 1 18.119 20.755 38.709
5 HA3 GLY 1 HA3 GLY 1 18.426 20.928 36.964
6 H SER 2 H SER 2 18.750 23.247 38.139
7 HA SER 2 HA SER 2 16.342 24.790 38.518
8 HB2 SER 2 HB2 SER 2 17.831 26.660 38.808
9 HB3 SER 2 HB3 SER 2 18.525 25.238 39.611
10 HG SER 2 HG SER 2 20.204 25.842 38.475
11 H GLY 3 H GLY 3 17.503 23.651 35.656
12 HA2 GLY 3 HA2 GLY 3 16.682 24.263 33.454
13 HA3 GLY 3 HA3 GLY 3 16.553 25.938 33.987
14 H CYS 4 H CYS 4 19.996 24.845 32.311
15 HA CYS 4 HA CYS 4 18.125 22.680 33.015
16 HB2 CYS 4 HB2 CYS 4 19.932 22.971 31.004
17 HB3 CYS 4 HB3 CYS 4 20.943 22.130 32.175
18 H MET 5 H MET 5 21.538 23.457 33.764
19 HA MET 5 HA MET 5 20.771 24.045 36.495
20 HB2 MET 5 HB2 MET 5 23.224 22.307 35.944
21 HB3 MET 5 HB3 MET 5 22.837 23.100 37.472
22 HG2 MET 5 HG2 MET 5 20.717 21.772 37.572
23 HG3 MET 5 HG3 MET 5 21.237 20.894 36.132
24 HE1 MET 5 HE1 MET 5 20.694 18.735 37.730
25 HE2 MET 5 HE2 MET 5 21.581 18.398 39.236
26 HE3 MET 5 HE3 MET 5 20.443 19.763 39.164
27 H LYS 6 H LYS 6 21.935 25.969 37.156
28 HA LYS 6 HA LYS 6 23.050 27.509 34.992
29 HB2 LYS 6 HB2 LYS 6 21.802 28.410 36.985
30 HB3 LYS 6 HB3 LYS 6 23.245 28.099 37.966
31 HG2 LYS 6 HG2 LYS 6 24.544 29.684 36.657
32 HG3 LYS 6 HG3 LYS 6 23.261 29.816 35.447
33 HD2 LYS 6 HD2 LYS 6 23.406 31.784 36.900
34 HD3 LYS 6 HD3 LYS 6 21.826 31.005 36.989
35 HE2 LYS 6 HE2 LYS 6 22.304 30.048 39.146
36 HE3 LYS 6 HE3 LYS 6 24.026 30.438 39.012
37 HZ1 LYS 6 HZ1 LYS 6 23.433 32.797 39.072
38 HZ2 LYS 6 HZ2 LYS 6 21.845 32.439 39.211
39 HZ3 LYS 6 HZ3 LYS 6 22.902 32.025 40.422
40 H GLU 7 H GLU 7 24.534 25.427 37.326
41 HA GLU 7 HA GLU 7 27.299 26.132 36.864
42 HB2 GLU 7 HB2 GLU 7 26.016 23.472 37.693
43 HB3 GLU 7 HB3 GLU 7 27.720 23.871 37.813
44 HG2 GLU 7 HG2 GLU 7 26.747 23.970 39.995
45 HG3 GLU 7 HG3 GLU 7 27.217 25.591 39.520
46 H TYR 8 H TYR 8 25.332 23.415 35.582
47 HA TYR 8 HA TYR 8 27.107 22.400 33.653
48 HB2 TYR 8 HB2 TYR 8 25.049 21.293 34.337
49 HB3 TYR 8 HB3 TYR 8 24.069 22.596 33.728
50 HD1 TYR 8 HD1 TYR 8 26.150 19.699 32.739
51 HD2 TYR 8 HD2 TYR 8 23.502 22.829 31.394
52 HE1 TYR 8 HE1 TYR 8 25.825 18.497 30.554
53 HE2 TYR 8 HE2 TYR 8 23.170 21.626 29.229
54 HH TYR 8 HH TYR 8 24.540 18.398 28.622
55 H CYS 9 H CYS 9 24.605 24.941 33.233
56 HA CYS 9 HA CYS 9 25.091 25.310 30.471
57 HB2 CYS 9 HB2 CYS 9 23.817 27.064 32.581
58 HB3 CYS 9 HB3 CYS 9 23.869 27.513 30.882
59 H ALA 10 H ALA 10 26.838 26.860 33.218
60 HA ALA 10 HA ALA 10 28.334 28.554 31.330
61 HB1 ALA 10 HB1 ALA 10 28.710 28.018 34.297
62 HB2 ALA 10 HB2 ALA 10 29.550 29.263 33.347
63 HB3 ALA 10 HB3 ALA 10 27.794 29.367 33.569
64 H GLY 11 H GLY 11 28.725 25.391 32.789
65 HA2 GLY 11 HA2 GLY 11 31.499 24.969 32.050
66 HA3 GLY 11 HA3 GLY 11 30.311 23.755 32.535
67 H GLN 12 H GLN 12 28.591 24.968 30.161
68 HA GLN 12 HA GLN 12 29.989 23.545 27.913
69 HB2 GLN 12 HB2 GLN 12 27.012 23.823 28.464
70 HB3 GLN 12 HB3 GLN 12 27.731 23.002 27.082
71 HG2 GLN 12 HG2 GLN 12 28.028 22.158 29.998
72 HG3 GLN 12 HG3 GLN 12 26.955 21.433 28.817
73 HE21 GLN 12 HE22 GLN 12 28.823 19.925 30.265
74 HE22 GLN 12 HE21 GLN 12 29.979 19.291 29.112
75 H CYS 13 H CYS 13 27.963 26.432 28.663
76 HA CYS 13 HA CYS 13 28.447 27.422 25.881
77 HB2 CYS 13 HB2 CYS 13 26.159 26.386 26.457
78 HB3 CYS 13 HB3 CYS 13 25.936 27.787 27.512
79 H ARG 14 H ARG 14 28.505 29.689 25.615
80 HA ARG 14 HA ARG 14 29.319 31.156 28.102
81 HB2 ARG 14 HB2 ARG 14 30.567 31.170 25.340
82 HB3 ARG 14 HB3 ARG 14 31.188 32.026 26.730
83 HG2 ARG 14 HG2 ARG 14 31.161 28.999 26.301
84 HG3 ARG 14 HG3 ARG 14 32.554 30.064 26.259
85 HD2 ARG 14 HD2 ARG 14 30.922 29.292 28.698
86 HD3 ARG 14 HD3 ARG 14 32.596 28.865 28.325
87 HE ARG 14 HE ARG 14 32.666 31.621 28.334
88 HH11 ARG 14 HH11 ARG 14 31.730 29.280 30.821
89 HH12 ARG 14 HH12 ARG 14 32.312 30.387 32.048
90 HH21 ARG 14 HH21 ARG 14 32.974 32.966 29.945
91 HH22 ARG 14 HH22 ARG 14 32.618 32.468 31.609
92 H GLY 15 H GLY 15 29.077 33.187 28.418
93 HA2 GLY 15 HA2 GLY 15 28.485 35.425 28.014
94 HA3 GLY 15 HA3 GLY 15 27.897 35.000 26.400
95 H LYS 16 H LYS 16 26.482 36.590 28.275
96 HA LYS 16 HA LYS 16 24.851 35.242 30.146
97 HB2 LYS 16 HB2 LYS 16 25.332 37.664 30.176
98 HB3 LYS 16 HB3 LYS 16 24.378 37.892 28.703
99 HG2 LYS 16 HG2 LYS 16 22.340 37.122 29.908
100 HG3 LYS 16 HG3 LYS 16 23.300 36.902 31.381
101 HD2 LYS 16 HD2 LYS 16 23.747 39.325 31.483
102 HD3 LYS 16 HD3 LYS 16 22.918 39.555 29.924
103 HE2 LYS 16 HE2 LYS 16 20.839 38.575 30.930
104 HE3 LYS 16 HE3 LYS 16 21.649 38.509 32.500
105 HZ1 LYS 16 HZ1 LYS 16 21.765 40.915 32.487
106 HZ2 LYS 16 HZ2 LYS 16 21.167 41.011 30.955
107 HZ3 LYS 16 HZ3 LYS 16 20.231 40.477 32.192
108 H VAL 17 H VAL 17 24.129 36.019 26.757
109 HA VAL 17 HA VAL 17 21.335 35.186 26.965
110 HB VAL 17 HB VAL 17 22.976 35.888 24.509
111 HG11 VAL 17 HG11 VAL 17 20.753 36.418 23.506
112 HG12 VAL 17 HG12 VAL 17 20.890 34.705 23.900
113 HG13 VAL 17 HG13 VAL 17 19.949 35.776 24.953
114 HG21 VAL 17 HG21 VAL 17 22.924 37.752 26.110
115 HG22 VAL 17 HG22 VAL 17 21.887 38.113 24.725
116 HG23 VAL 17 HG23 VAL 17 21.168 37.597 26.271
117 H SER 18 H SER 18 24.356 33.809 25.616
118 HA SER 18 HA SER 18 23.254 31.453 24.506
119 HB2 SER 18 HB2 SER 18 25.950 31.646 25.858
120 HB3 SER 18 HB3 SER 18 25.505 30.777 24.378
121 HG SER 18 HG SER 18 26.701 32.963 24.479
122 H GLN 19 H GLN 19 24.842 32.007 27.711
123 HA GLN 19 HA GLN 19 24.022 29.570 28.929
124 HB2 GLN 19 HB2 GLN 19 24.595 32.354 30.020
125 HB3 GLN 19 HB3 GLN 19 24.274 30.965 31.061
126 HG2 GLN 19 HG2 GLN 19 26.149 29.743 30.201
127 HG3 GLN 19 HG3 GLN 19 26.395 30.865 28.867
128 HE21 GLN 19 HE22 GLN 19 28.562 30.290 30.088
129 HE22 GLN 19 HE21 GLN 19 29.062 31.535 31.256
130 H ASP 20 H ASP 20 22.106 32.640 28.665
131 HA ASP 20 HA ASP 20 19.873 31.719 30.179
132 HB2 ASP 20 HB2 ASP 20 20.210 34.062 29.691
133 HB3 ASP 20 HB3 ASP 20 20.062 33.768 27.951
134 H TYR 21 H TYR 21 20.606 31.384 26.663
135 HA TYR 21 HA TYR 21 18.189 30.041 25.969
136 HB2 TYR 21 HB2 TYR 21 20.086 30.936 24.475
137 HB3 TYR 21 HB3 TYR 21 20.905 29.416 24.788
138 HD1 TYR 21 HD2 TYR 21 19.909 27.251 23.857
139 HD2 TYR 21 HD1 TYR 21 18.151 31.129 23.092
140 HE1 TYR 21 HE2 TYR 21 18.531 26.283 22.025
141 HE2 TYR 21 HE1 TYR 21 16.777 30.142 21.260
142 HH TYR 21 HH TYR 21 16.195 28.240 20.130
143 H CYS 22 H CYS 22 21.198 28.790 27.431
144 HA CYS 22 HA CYS 22 20.373 26.002 27.362
145 HB2 CYS 22 HB2 CYS 22 22.691 26.618 27.449
146 HB3 CYS 22 HB3 CYS 22 22.478 27.485 28.963
147 H LEU 23 H LEU 23 19.947 28.598 29.736
148 HA LEU 23 HA LEU 23 18.651 27.100 31.770
149 HB2 LEU 23 HB2 LEU 23 19.040 29.916 30.961
150 HB3 LEU 23 HB3 LEU 23 17.529 29.633 31.810
151 HG LEU 23 HG LEU 23 18.745 28.715 33.722
152 HD11 LEU 23 HD11 LEU 23 21.313 29.454 32.250
153 HD12 LEU 23 HD12 LEU 23 21.190 28.853 33.913
154 HD13 LEU 23 HD13 LEU 23 20.777 27.793 32.558
155 HD21 LEU 23 HD21 LEU 23 19.874 30.799 34.426
156 HD22 LEU 23 HD22 LEU 23 19.817 31.367 32.735
157 HD23 LEU 23 HD23 LEU 23 18.303 31.083 33.653
158 H LYS 24 H LYS 24 17.451 28.062 28.684
159 HA LYS 24 HA LYS 24 14.603 27.445 29.371
160 HB2 LYS 24 HB2 LYS 24 15.968 28.758 26.994
161 HB3 LYS 24 HB3 LYS 24 14.231 28.394 27.056
162 HG2 LYS 24 HG2 LYS 24 13.929 29.834 28.968
163 HG3 LYS 24 HG3 LYS 24 15.683 30.091 29.110
164 HD2 LYS 24 HD2 LYS 24 15.774 31.334 27.052
165 HD3 LYS 24 HD3 LYS 24 14.088 30.927 26.671
166 HE2 LYS 24 HE2 LYS 24 14.264 33.226 27.525
167 HE3 LYS 24 HE3 LYS 24 13.273 32.202 28.570
168 HZ1 LYS 24 HZ1 LYS 24 16.088 33.016 29.091
169 HZ2 LYS 24 HZ2 LYS 24 14.750 33.513 29.914
170 HZ3 LYS 24 HZ3 LYS 24 15.233 31.972 30.043
171 H HIS 25 H HIS 25 17.224 26.318 27.328
172 HA HIS 25 HA HIS 25 15.477 24.136 26.199
173 HB2 HIS 25 HB2 HIS 25 17.623 25.835 24.880
174 HB3 HIS 25 HB3 HIS 25 16.715 24.562 24.099
175 HD2 HIS 25 HD2 HIS 25 16.529 28.244 24.827
176 HE1 HIS 25 HE1 HIS 25 12.669 27.188 23.354
177 HE2 HIS 25 HE2 HIS 25 14.248 29.122 23.820
178 H CYS 26 H CYS 26 18.049 24.298 28.269
179 HA CYS 26 HA CYS 26 19.781 22.991 28.833
180 HB2 CYS 26 HB2 CYS 26 17.942 20.892 27.682
181 HB3 CYS 26 HB3 CYS 26 19.411 20.503 28.563
182 H LYS 27 H LYS 27 20.045 24.230 26.193
183 HA LYS 27 HA LYS 27 22.438 22.776 25.299
184 HB2 LYS 27 HB2 LYS 27 21.808 22.803 22.963
185 HB3 LYS 27 HB3 LYS 27 20.632 21.869 23.866
186 HG2 LYS 27 HG2 LYS 27 19.083 23.843 23.851
187 HG3 LYS 27 HG3 LYS 27 20.264 24.753 22.903
188 HD2 LYS 27 HD2 LYS 27 18.861 22.198 22.059
189 HD3 LYS 27 HD3 LYS 27 18.463 23.809 21.501
190 HE2 LYS 27 HE2 LYS 27 21.112 22.370 21.000
191 HE3 LYS 27 HE3 LYS 27 19.789 22.511 19.850
192 HZ1 LYS 27 HZ1 LYS 27 21.362 24.800 20.910
193 HZ2 LYS 27 HZ2 LYS 27 21.423 24.197 19.397
194 HZ3 LYS 27 HZ3 LYS 27 20.054 24.925 19.911
195 H CYS 28 H CYS 28 23.720 24.064 23.791
196 HA CYS 28 HA CYS 28 23.734 26.868 24.527
197 HB2 CYS 28 HB2 CYS 28 25.730 25.279 24.049
198 HB3 CYS 28 HB3 CYS 28 25.420 25.635 22.348
199 H ILE 29 H ILE 29 23.861 28.603 22.903
200 HA ILE 29 HA ILE 29 21.323 28.588 21.499
201 HB ILE 29 HB ILE 29 22.054 30.401 22.961
202 HG12 ILE 29 HG12 ILE 29 21.538 31.395 20.133
203 HG13 ILE 29 HG13 ILE 29 20.318 30.746 21.237
204 HG21 ILE 29 HG21 ILE 29 24.468 30.450 22.303
205 HG22 ILE 29 HG22 ILE 29 23.998 31.243 20.783
206 HG23 ILE 29 HG23 ILE 29 23.708 32.041 22.335
207 HD11 ILE 29 HD11 ILE 29 20.180 33.118 21.355
208 HD12 ILE 29 HD12 ILE 29 20.870 32.541 22.885
209 HD13 ILE 29 HD13 ILE 29 21.919 33.286 21.650
210 HA PRO 30 HA PRO 30 23.092 27.738 17.495
211 HB2 PRO 30 HB2 PRO 30 20.990 28.289 15.834
212 HB3 PRO 30 HB3 PRO 30 21.024 26.883 16.944
213 HG2 PRO 30 HG2 PRO 30 19.746 29.602 17.412
214 HG3 PRO 30 HG3 PRO 30 18.998 27.983 17.610
215 HD2 PRO 30 HD2 PRO 30 20.046 29.313 19.706
216 HD3 PRO 30 HD3 PRO 30 20.260 27.554 19.575
217 H ARG 31 H ARG 31 23.595 28.736 15.407
218 HA ARG 31 HA ARG 31 23.870 31.727 15.468
219 HB2 ARG 31 HB2 ARG 31 25.837 29.747 14.263
220 HB3 ARG 31 HB3 ARG 31 26.041 31.486 14.411
221 HG2 ARG 31 HG2 ARG 31 25.967 29.474 16.703
222 HG3 ARG 31 HG3 ARG 31 27.406 30.237 16.036
223 HD2 ARG 31 HD2 ARG 31 26.716 32.426 16.823
224 HD3 ARG 31 HD3 ARG 31 25.146 31.791 17.349
225 HE ARG 31 HE ARG 31 27.084 30.259 18.676
226 HH11 ARG 31 HH21 ARG 31 25.969 33.597 18.729
227 HH12 ARG 31 HH22 ARG 31 26.194 33.721 20.459
228 HH21 ARG 31 HH11 ARG 31 27.588 30.618 20.818
229 HH22 ARG 31 HH12 ARG 31 27.264 32.196 21.531
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 9.188 21.939 34.371
2 H2 GLY 1 H2 GLY 1 9.147 21.627 35.986
3 H3 GLY 1 H3 GLY 1 10.579 21.574 35.193
4 HA2 GLY 1 HA2 GLY 1 8.957 24.025 35.406
5 HA3 GLY 1 HA3 GLY 1 10.261 23.596 36.551
6 H SER 2 H SER 2 11.455 25.475 35.950
7 HA SER 2 HA SER 2 13.001 25.055 33.443
8 HB2 SER 2 HB2 SER 2 13.676 27.305 33.475
9 HB3 SER 2 HB3 SER 2 11.933 27.332 33.772
10 HG SER 2 HG SER 2 12.374 27.595 35.986
11 H GLY 3 H GLY 3 16.134 24.865 35.282
12 HA2 GLY 3 HA2 GLY 3 14.835 25.265 32.592
13 HA3 GLY 3 HA3 GLY 3 16.279 26.112 33.142
14 H CYS 4 H CYS 4 18.080 24.693 33.915
15 HA CYS 4 HA CYS 4 18.189 21.932 32.889
16 HB2 CYS 4 HB2 CYS 4 18.951 23.521 31.091
17 HB3 CYS 4 HB3 CYS 4 20.227 24.065 32.141
18 H MET 5 H MET 5 21.098 23.577 33.746
19 HA MET 5 HA MET 5 20.708 23.782 36.585
20 HB2 MET 5 HB2 MET 5 22.905 21.915 35.594
21 HB3 MET 5 HB3 MET 5 22.793 22.575 37.218
22 HG2 MET 5 HG2 MET 5 20.644 21.351 37.520
23 HG3 MET 5 HG3 MET 5 20.868 20.636 35.914
24 HE1 MET 5 HE1 MET 5 20.315 18.867 38.339
25 HE2 MET 5 HE2 MET 5 20.736 18.144 36.768
26 HE3 MET 5 HE3 MET 5 21.554 17.595 38.249
27 H LYS 6 H LYS 6 22.030 25.489 37.332
28 HA LYS 6 HA LYS 6 22.888 27.346 35.354
29 HB2 LYS 6 HB2 LYS 6 22.001 27.884 37.591
30 HB3 LYS 6 HB3 LYS 6 23.464 27.253 38.345
31 HG2 LYS 6 HG2 LYS 6 24.839 28.981 37.304
32 HG3 LYS 6 HG3 LYS 6 23.444 29.575 36.382
33 HD2 LYS 6 HD2 LYS 6 23.680 29.628 39.430
34 HD3 LYS 6 HD3 LYS 6 24.009 30.973 38.348
35 HE2 LYS 6 HE2 LYS 6 21.574 30.476 37.428
36 HE3 LYS 6 HE3 LYS 6 21.353 29.662 38.996
37 HZ1 LYS 6 HZ1 LYS 6 22.097 32.481 38.538
38 HZ2 LYS 6 HZ2 LYS 6 20.646 31.936 39.106
39 HZ3 LYS 6 HZ3 LYS 6 22.035 31.825 40.030
40 H GLU 7 H GLU 7 24.864 25.272 37.461
41 HA GLU 7 HA GLU 7 27.429 26.320 36.596
42 HB2 GLU 7 HB2 GLU 7 26.653 23.692 37.928
43 HB3 GLU 7 HB3 GLU 7 28.310 24.238 37.692
44 HG2 GLU 7 HG2 GLU 7 27.868 26.261 39.044
45 HG3 GLU 7 HG3 GLU 7 26.204 25.731 39.342
46 H TYR 8 H TYR 8 25.527 23.465 35.706
47 HA TYR 8 HA TYR 8 27.295 22.199 33.876
48 HB2 TYR 8 HB2 TYR 8 25.266 21.167 34.810
49 HB3 TYR 8 HB3 TYR 8 24.269 22.388 34.029
50 HD1 TYR 8 HD2 TYR 8 26.300 19.369 33.437
51 HD2 TYR 8 HD1 TYR 8 23.666 22.322 31.718
52 HE1 TYR 8 HE2 TYR 8 26.050 17.957 31.374
53 HE2 TYR 8 HE1 TYR 8 23.455 20.947 29.659
54 HH TYR 8 HH TYR 8 24.110 19.083 28.580
55 H CYS 9 H CYS 9 24.762 24.672 33.344
56 HA CYS 9 HA CYS 9 25.144 24.965 30.533
57 HB2 CYS 9 HB2 CYS 9 23.935 26.701 32.712
58 HB3 CYS 9 HB3 CYS 9 23.999 27.232 31.035
59 H ALA 10 H ALA 10 26.598 26.840 33.269
60 HA ALA 10 HA ALA 10 28.257 28.466 31.571
61 HB1 ALA 10 HB1 ALA 10 27.778 29.020 33.909
62 HB2 ALA 10 HB2 ALA 10 28.625 27.560 34.459
63 HB3 ALA 10 HB3 ALA 10 29.524 28.863 33.652
64 H GLY 11 H GLY 11 28.606 25.127 32.724
65 HA2 GLY 11 HA2 GLY 11 31.292 24.711 31.785
66 HA3 GLY 11 HA3 GLY 11 30.095 23.482 32.185
67 H GLN 12 H GLN 12 28.402 25.067 29.870
68 HA GLN 12 HA GLN 12 29.910 23.930 27.569
69 HB2 GLN 12 HB2 GLN 12 28.012 22.926 26.568
70 HB3 GLN 12 HB3 GLN 12 28.366 22.211 28.137
71 HG2 GLN 12 HG2 GLN 12 26.490 23.197 29.147
72 HG3 GLN 12 HG3 GLN 12 26.328 24.415 27.882
73 HE21 GLN 12 HE22 GLN 12 26.169 20.747 28.162
74 HE22 GLN 12 HE21 GLN 12 24.732 20.687 27.144
75 H CYS 13 H CYS 13 28.240 26.721 28.628
76 HA CYS 13 HA CYS 13 28.381 27.815 25.864
77 HB2 CYS 13 HB2 CYS 13 26.067 26.774 26.735
78 HB3 CYS 13 HB3 CYS 13 25.931 28.339 27.524
79 H ARG 14 H ARG 14 28.418 30.179 25.771
80 HA ARG 14 HA ARG 14 28.806 31.688 28.281
81 HB2 ARG 14 HB2 ARG 14 31.075 32.396 27.663
82 HB3 ARG 14 HB3 ARG 14 30.897 30.710 28.120
83 HG2 ARG 14 HG2 ARG 14 30.906 30.110 25.624
84 HG3 ARG 14 HG3 ARG 14 31.274 31.804 25.292
85 HD2 ARG 14 HD2 ARG 14 33.283 30.444 25.245
86 HD3 ARG 14 HD3 ARG 14 33.377 31.591 26.592
87 HE ARG 14 HE ARG 14 32.306 29.297 27.738
88 HH11 ARG 14 HH11 ARG 14 35.271 29.563 25.825
89 HH12 ARG 14 HH12 ARG 14 36.034 28.373 26.868
90 HH21 ARG 14 HH21 ARG 14 33.346 27.812 28.827
91 HH22 ARG 14 HH22 ARG 14 35.010 27.422 28.455
92 H GLY 15 H GLY 15 29.010 33.872 28.176
93 HA2 GLY 15 HA2 GLY 15 28.255 35.970 27.258
94 HA3 GLY 15 HA3 GLY 15 27.616 35.123 25.837
95 H LYS 16 H LYS 16 26.315 36.845 28.054
96 HA LYS 16 HA LYS 16 24.908 35.121 29.833
97 HB2 LYS 16 HB2 LYS 16 25.456 37.510 30.173
98 HB3 LYS 16 HB3 LYS 16 24.220 37.983 29.019
99 HG2 LYS 16 HG2 LYS 16 23.525 36.277 31.450
100 HG3 LYS 16 HG3 LYS 16 23.787 38.016 31.614
101 HD2 LYS 16 HD2 LYS 16 22.031 38.432 29.880
102 HD3 LYS 16 HD3 LYS 16 21.631 36.716 29.887
103 HE2 LYS 16 HE2 LYS 16 21.529 38.562 32.313
104 HE3 LYS 16 HE3 LYS 16 20.145 38.139 31.301
105 HZ1 LYS 16 HZ1 LYS 16 20.522 35.794 31.913
106 HZ2 LYS 16 HZ2 LYS 16 21.709 36.236 32.973
107 HZ3 LYS 16 HZ3 LYS 16 20.165 36.727 33.201
108 H VAL 17 H VAL 17 23.931 36.331 26.653
109 HA VAL 17 HA VAL 17 21.221 35.284 26.808
110 HB VAL 17 HB VAL 17 21.912 37.129 25.318
111 HG11 VAL 17 HG11 VAL 17 23.097 35.018 23.483
112 HG12 VAL 17 HG12 VAL 17 22.925 36.753 23.174
113 HG13 VAL 17 HG13 VAL 17 24.042 36.192 24.427
114 HG21 VAL 17 HG21 VAL 17 20.621 34.802 23.854
115 HG22 VAL 17 HG22 VAL 17 19.794 35.893 24.990
116 HG23 VAL 17 HG23 VAL 17 20.459 36.526 23.472
117 H SER 18 H SER 18 24.323 33.984 25.665
118 HA SER 18 HA SER 18 23.360 31.609 24.494
119 HB2 SER 18 HB2 SER 18 26.078 32.031 25.769
120 HB3 SER 18 HB3 SER 18 25.667 31.140 24.309
121 HG SER 18 HG SER 18 26.491 33.047 23.570
122 H GLN 19 H GLN 19 24.757 32.304 27.732
123 HA GLN 19 HA GLN 19 24.101 29.759 28.911
124 HB2 GLN 19 HB2 GLN 19 24.622 32.537 30.034
125 HB3 GLN 19 HB3 GLN 19 24.343 31.121 31.061
126 HG2 GLN 19 HG2 GLN 19 26.235 29.956 30.246
127 HG3 GLN 19 HG3 GLN 19 26.440 31.035 28.874
128 HE21 GLN 19 HE22 GLN 19 28.609 30.431 30.228
129 HE22 GLN 19 HE21 GLN 19 29.200 31.896 30.996
130 H ASP 20 H ASP 20 22.092 32.719 28.514
131 HA ASP 20 HA ASP 20 19.831 31.766 30.005
132 HB2 ASP 20 HB2 ASP 20 20.063 34.114 29.387
133 HB3 ASP 20 HB3 ASP 20 19.987 33.702 27.674
134 H TYR 21 H TYR 21 20.680 31.403 26.499
135 HA TYR 21 HA TYR 21 18.434 29.847 25.764
136 HB2 TYR 21 HB2 TYR 21 20.459 30.686 24.364
137 HB3 TYR 21 HB3 TYR 21 21.225 29.175 24.812
138 HD1 TYR 21 HD2 TYR 21 20.112 26.924 23.975
139 HD2 TYR 21 HD1 TYR 21 18.745 30.854 22.757
140 HE1 TYR 21 HE2 TYR 21 18.904 25.930 22.080
141 HE2 TYR 21 HE1 TYR 21 17.524 29.817 20.853
142 HH TYR 21 HH TYR 21 17.639 26.305 20.218
143 H CYS 22 H CYS 22 21.361 28.805 27.569
144 HA CYS 22 HA CYS 22 20.548 26.001 27.521
145 HB2 CYS 22 HB2 CYS 22 22.865 26.717 27.659
146 HB3 CYS 22 HB3 CYS 22 22.579 27.433 29.243
147 H LEU 23 H LEU 23 19.982 28.668 29.781
148 HA LEU 23 HA LEU 23 18.480 27.088 31.698
149 HB2 LEU 23 HB2 LEU 23 19.099 29.948 31.105
150 HB3 LEU 23 HB3 LEU 23 17.603 29.651 31.984
151 HG LEU 23 HG LEU 23 18.779 28.483 33.767
152 HD11 LEU 23 HD11 LEU 23 21.345 29.035 32.212
153 HD12 LEU 23 HD12 LEU 23 21.258 28.450 33.884
154 HD13 LEU 23 HD13 LEU 23 20.653 27.435 32.573
155 HD21 LEU 23 HD21 LEU 23 20.116 31.105 32.997
156 HD22 LEU 23 HD22 LEU 23 18.578 30.931 33.872
157 HD23 LEU 23 HD23 LEU 23 20.090 30.401 34.631
158 H LYS 24 H LYS 24 17.580 28.423 28.582
159 HA LYS 24 HA LYS 24 14.693 27.825 29.080
160 HB2 LYS 24 HB2 LYS 24 16.177 29.271 26.849
161 HB3 LYS 24 HB3 LYS 24 14.441 28.906 26.802
162 HG2 LYS 24 HG2 LYS 24 14.141 30.143 28.928
163 HG3 LYS 24 HG3 LYS 24 15.865 30.571 28.901
164 HD2 LYS 24 HD2 LYS 24 15.591 31.871 26.882
165 HD3 LYS 24 HD3 LYS 24 13.973 31.228 26.607
166 HE2 LYS 24 HE2 LYS 24 13.852 33.523 27.404
167 HE3 LYS 24 HE3 LYS 24 13.069 32.397 28.519
168 HZ1 LYS 24 HZ1 LYS 24 14.504 34.136 29.554
169 HZ2 LYS 24 HZ2 LYS 24 14.897 32.607 30.026
170 HZ3 LYS 24 HZ3 LYS 24 15.838 33.403 28.952
171 H HIS 25 H HIS 25 17.344 26.331 27.539
172 HA HIS 25 HA HIS 25 15.511 24.339 26.208
173 HB2 HIS 25 HB2 HIS 25 18.014 25.593 25.018
174 HB3 HIS 25 HB3 HIS 25 16.997 24.389 24.264
175 HD2 HIS 25 HD2 HIS 25 17.005 28.145 25.119
176 HE1 HIS 25 HE1 HIS 25 14.054 27.522 22.140
177 HE2 HIS 25 HE2 HIS 25 15.373 29.281 23.447
178 H CYS 26 H CYS 26 18.162 24.522 28.373
179 HA CYS 26 HA CYS 26 19.816 23.207 28.993
180 HB2 CYS 26 HB2 CYS 26 17.662 21.945 29.537
181 HB3 CYS 26 HB3 CYS 26 18.119 20.818 28.280
182 H LYS 27 H LYS 27 20.108 24.166 26.477
183 HA LYS 27 HA LYS 27 22.163 22.421 25.222
184 HB2 LYS 27 HB2 LYS 27 19.968 23.996 23.801
185 HB3 LYS 27 HB3 LYS 27 21.301 23.177 22.996
186 HG2 LYS 27 HG2 LYS 27 20.440 21.016 23.481
187 HG3 LYS 27 HG3 LYS 27 19.298 21.639 24.681
188 HD2 LYS 27 HD2 LYS 27 18.127 22.932 22.868
189 HD3 LYS 27 HD3 LYS 27 19.212 22.185 21.691
190 HE2 LYS 27 HE2 LYS 27 17.230 20.827 21.678
191 HE3 LYS 27 HE3 LYS 27 18.494 19.919 22.523
192 HZ1 LYS 27 HZ1 LYS 27 16.151 21.275 23.710
193 HZ2 LYS 27 HZ2 LYS 27 16.614 19.687 23.829
194 HZ3 LYS 27 HZ3 LYS 27 17.442 20.850 24.630
195 H CYS 28 H CYS 28 23.712 23.748 23.970
196 HA CYS 28 HA CYS 28 23.804 26.580 24.777
197 HB2 CYS 28 HB2 CYS 28 25.847 25.132 24.549
198 HB3 CYS 28 HB3 CYS 28 25.605 25.196 22.804
199 H ILE 29 H ILE 29 24.100 28.242 23.080
200 HA ILE 29 HA ILE 29 21.614 28.348 21.599
201 HB ILE 29 HB ILE 29 22.455 30.162 22.999
202 HG12 ILE 29 HG12 ILE 29 22.238 31.162 20.144
203 HG13 ILE 29 HG13 ILE 29 20.866 30.580 21.088
204 HG21 ILE 29 HG21 ILE 29 24.867 29.966 22.526
205 HG22 ILE 29 HG22 ILE 29 24.604 30.598 20.890
206 HG23 ILE 29 HG23 ILE 29 24.295 31.617 22.299
207 HD11 ILE 29 HD11 ILE 29 22.597 32.979 21.782
208 HD12 ILE 29 HD12 ILE 29 20.919 32.981 21.220
209 HD13 ILE 29 HD13 ILE 29 21.312 32.318 22.817
210 HA PRO 30 HA PRO 30 23.661 27.866 17.562
211 HB2 PRO 30 HB2 PRO 30 21.555 27.805 15.911
212 HB3 PRO 30 HB3 PRO 30 21.805 26.517 17.133
213 HG2 PRO 30 HG2 PRO 30 19.992 28.939 17.307
214 HG3 PRO 30 HG3 PRO 30 19.600 27.237 17.698
215 HD2 PRO 30 HD2 PRO 30 20.357 29.121 19.573
216 HD3 PRO 30 HD3 PRO 30 20.639 27.366 19.766
217 H ARG 31 H ARG 31 24.070 28.998 15.651
218 HA ARG 31 HA ARG 31 23.334 31.899 15.523
219 HB2 ARG 31 HB2 ARG 31 25.600 30.446 14.101
220 HB3 ARG 31 HB3 ARG 31 25.187 32.157 13.982
221 HG2 ARG 31 HG2 ARG 31 25.616 32.319 16.514
222 HG3 ARG 31 HG3 ARG 31 26.259 30.673 16.418
223 HD2 ARG 31 HD2 ARG 31 28.099 32.243 16.308
224 HD3 ARG 31 HD3 ARG 31 27.916 31.461 14.724
225 HE ARG 31 HE ARG 31 26.460 33.999 15.018
226 HH11 ARG 31 HH11 ARG 31 29.590 32.740 13.971
227 HH12 ARG 31 HH12 ARG 31 29.734 34.022 12.789
228 HH21 ARG 31 HH21 ARG 31 26.731 35.488 13.602
229 HH22 ARG 31 HH22 ARG 31 28.220 35.647 12.683
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 12.441 25.858 28.455
2 H2 GLY 1 H2 GLY 1 10.889 26.392 28.522
3 H3 GLY 1 H3 GLY 1 11.224 24.772 28.579
4 HA2 GLY 1 HA2 GLY 1 10.659 25.588 30.781
5 HA3 GLY 1 HA3 GLY 1 12.311 24.949 30.665
6 H SER 2 H SER 2 12.545 26.311 32.634
7 HA SER 2 HA SER 2 13.580 28.997 31.834
8 HB2 SER 2 HB2 SER 2 12.787 30.055 33.804
9 HB3 SER 2 HB3 SER 2 11.409 29.282 33.015
10 HG SER 2 HG SER 2 11.508 27.602 34.522
11 H GLY 3 H GLY 3 14.329 26.005 33.267
12 HA2 GLY 3 HA2 GLY 3 17.060 26.868 33.425
13 HA3 GLY 3 HA3 GLY 3 16.448 26.457 35.033
14 H CYS 4 H CYS 4 18.542 25.093 33.976
15 HA CYS 4 HA CYS 4 17.414 22.364 33.817
16 HB2 CYS 4 HB2 CYS 4 18.245 23.131 31.509
17 HB3 CYS 4 HB3 CYS 4 19.865 23.086 32.174
18 H MET 5 H MET 5 20.828 23.366 33.809
19 HA MET 5 HA MET 5 20.895 23.647 36.706
20 HB2 MET 5 HB2 MET 5 22.725 21.664 35.278
21 HB3 MET 5 HB3 MET 5 23.106 22.406 36.830
22 HG2 MET 5 HG2 MET 5 20.948 21.453 37.741
23 HG3 MET 5 HG3 MET 5 20.772 20.578 36.215
24 HE1 MET 5 HE1 MET 5 22.505 20.816 39.667
25 HE2 MET 5 HE2 MET 5 23.885 19.710 39.539
26 HE3 MET 5 HE3 MET 5 23.916 21.264 38.682
27 H LYS 6 H LYS 6 22.075 25.484 37.135
28 HA LYS 6 HA LYS 6 22.977 27.018 34.903
29 HB2 LYS 6 HB2 LYS 6 22.022 27.839 37.142
30 HB3 LYS 6 HB3 LYS 6 23.666 27.657 37.793
31 HG2 LYS 6 HG2 LYS 6 24.507 29.216 36.018
32 HG3 LYS 6 HG3 LYS 6 22.888 29.299 35.335
33 HD2 LYS 6 HD2 LYS 6 22.997 31.268 36.552
34 HD3 LYS 6 HD3 LYS 6 22.102 30.191 37.609
35 HE2 LYS 6 HE2 LYS 6 23.673 31.446 38.918
36 HE3 LYS 6 HE3 LYS 6 24.223 29.763 38.909
37 HZ1 LYS 6 HZ1 LYS 6 25.882 31.671 38.450
38 HZ2 LYS 6 HZ2 LYS 6 25.994 30.335 37.495
39 HZ3 LYS 6 HZ3 LYS 6 25.278 31.694 36.930
40 H GLU 7 H GLU 7 24.800 25.070 37.221
41 HA GLU 7 HA GLU 7 27.429 25.926 36.382
42 HB2 GLU 7 HB2 GLU 7 26.392 23.360 37.643
43 HB3 GLU 7 HB3 GLU 7 28.104 23.730 37.445
44 HG2 GLU 7 HG2 GLU 7 27.990 25.665 38.881
45 HG3 GLU 7 HG3 GLU 7 26.238 25.666 38.905
46 H TYR 8 H TYR 8 25.219 23.472 35.103
47 HA TYR 8 HA TYR 8 27.108 22.296 33.216
48 HB2 TYR 8 HB2 TYR 8 25.107 21.099 33.945
49 HB3 TYR 8 HB3 TYR 8 24.070 22.378 33.337
50 HD1 TYR 8 HD2 TYR 8 26.586 19.856 32.290
51 HD2 TYR 8 HD1 TYR 8 23.283 22.347 31.107
52 HE1 TYR 8 HE2 TYR 8 26.437 18.638 30.091
53 HE2 TYR 8 HE1 TYR 8 23.139 21.149 28.918
54 HH TYR 8 HH TYR 8 24.017 19.472 27.586
55 H CYS 9 H CYS 9 24.442 24.702 32.938
56 HA CYS 9 HA CYS 9 24.981 25.325 30.239
57 HB2 CYS 9 HB2 CYS 9 23.511 26.773 32.463
58 HB3 CYS 9 HB3 CYS 9 23.521 27.348 30.802
59 H ALA 10 H ALA 10 26.253 27.033 33.147
60 HA ALA 10 HA ALA 10 27.676 28.983 31.557
61 HB1 ALA 10 HB1 ALA 10 26.915 29.408 33.868
62 HB2 ALA 10 HB2 ALA 10 28.005 28.135 34.457
63 HB3 ALA 10 HB3 ALA 10 28.675 29.604 33.717
64 H GLY 11 H GLY 11 28.378 25.695 32.376
65 HA2 GLY 11 HA2 GLY 11 31.284 25.889 31.926
66 HA3 GLY 11 HA3 GLY 11 30.315 24.433 32.147
67 H GLN 12 H GLN 12 28.464 24.473 30.190
68 HA GLN 12 HA GLN 12 30.046 23.800 27.835
69 HB2 GLN 12 HB2 GLN 12 27.036 23.689 28.255
70 HB3 GLN 12 HB3 GLN 12 27.951 22.861 26.998
71 HG2 GLN 12 HG2 GLN 12 28.140 22.291 29.986
72 HG3 GLN 12 HG3 GLN 12 27.235 21.361 28.807
73 HE21 GLN 12 HE22 GLN 12 28.349 19.764 27.600
74 HE22 GLN 12 HE21 GLN 12 30.066 19.461 27.841
75 H CYS 13 H CYS 13 28.194 26.626 28.688
76 HA CYS 13 HA CYS 13 28.319 27.620 25.877
77 HB2 CYS 13 HB2 CYS 13 26.069 26.570 26.795
78 HB3 CYS 13 HB3 CYS 13 25.938 28.106 27.652
79 H ARG 14 H ARG 14 28.480 29.899 25.636
80 HA ARG 14 HA ARG 14 29.041 31.500 28.107
81 HB2 ARG 14 HB2 ARG 14 30.962 31.435 25.785
82 HB3 ARG 14 HB3 ARG 14 31.137 32.187 27.371
83 HG2 ARG 14 HG2 ARG 14 32.515 30.357 27.653
84 HG3 ARG 14 HG3 ARG 14 31.012 29.696 28.279
85 HD2 ARG 14 HD2 ARG 14 30.675 28.898 25.747
86 HD3 ARG 14 HD3 ARG 14 32.395 29.235 25.623
87 HE ARG 14 HE ARG 14 31.942 27.548 27.896
88 HH11 ARG 14 HH11 ARG 14 32.405 27.418 24.437
89 HH12 ARG 14 HH12 ARG 14 32.734 25.696 24.523
90 HH21 ARG 14 HH21 ARG 14 32.092 25.326 27.798
91 HH22 ARG 14 HH22 ARG 14 32.291 24.531 26.245
92 H GLY 15 H GLY 15 29.165 33.700 27.899
93 HA2 GLY 15 HA2 GLY 15 28.368 35.782 27.013
94 HA3 GLY 15 HA3 GLY 15 27.572 34.924 25.677
95 H LYS 16 H LYS 16 26.544 36.756 27.938
96 HA LYS 16 HA LYS 16 25.265 35.238 29.957
97 HB2 LYS 16 HB2 LYS 16 25.701 37.663 30.086
98 HB3 LYS 16 HB3 LYS 16 24.481 37.973 28.844
99 HG2 LYS 16 HG2 LYS 16 22.690 37.104 30.296
100 HG3 LYS 16 HG3 LYS 16 23.898 36.644 31.513
101 HD2 LYS 16 HD2 LYS 16 24.530 39.005 31.835
102 HD3 LYS 16 HD3 LYS 16 23.325 39.489 30.634
103 HE2 LYS 16 HE2 LYS 16 22.599 37.873 33.113
104 HE3 LYS 16 HE3 LYS 16 22.696 39.637 33.138
105 HZ1 LYS 16 HZ1 LYS 16 20.441 38.921 32.724
106 HZ2 LYS 16 HZ2 LYS 16 21.018 39.751 31.444
107 HZ3 LYS 16 HZ3 LYS 16 20.849 38.118 31.353
108 H VAL 17 H VAL 17 24.021 36.153 26.763
109 HA VAL 17 HA VAL 17 21.355 35.102 27.362
110 HB VAL 17 HB VAL 17 22.477 36.211 24.775
111 HG11 VAL 17 HG11 VAL 17 19.601 35.664 25.685
112 HG12 VAL 17 HG12 VAL 17 20.066 36.573 24.224
113 HG13 VAL 17 HG13 VAL 17 20.463 34.864 24.343
114 HG21 VAL 17 HG21 VAL 17 21.198 38.252 25.450
115 HG22 VAL 17 HG22 VAL 17 20.828 37.489 27.016
116 HG23 VAL 17 HG23 VAL 17 22.498 37.893 26.574
117 H SER 18 H SER 18 24.293 33.925 25.726
118 HA SER 18 HA SER 18 23.194 31.546 24.612
119 HB2 SER 18 HB2 SER 18 25.932 31.821 25.863
120 HB3 SER 18 HB3 SER 18 25.453 30.892 24.458
121 HG SER 18 HG SER 18 26.675 32.859 24.159
122 H GLN 19 H GLN 19 24.857 32.183 27.783
123 HA GLN 19 HA GLN 19 24.243 29.681 28.981
124 HB2 GLN 19 HB2 GLN 19 24.679 32.463 30.145
125 HB3 GLN 19 HB3 GLN 19 24.498 31.005 31.148
126 HG2 GLN 19 HG2 GLN 19 26.364 29.926 30.016
127 HG3 GLN 19 HG3 GLN 19 26.559 31.277 28.912
128 HE21 GLN 19 HE22 GLN 19 28.742 30.496 30.063
129 HE22 GLN 19 HE21 GLN 19 29.284 31.748 31.173
130 H ASP 20 H ASP 20 22.198 32.646 28.865
131 HA ASP 20 HA ASP 20 20.050 31.538 30.387
132 HB2 ASP 20 HB2 ASP 20 20.299 33.936 29.962
133 HB3 ASP 20 HB3 ASP 20 19.985 33.672 28.240
134 H TYR 21 H TYR 21 20.640 31.426 26.799
135 HA TYR 21 HA TYR 21 18.238 30.090 26.085
136 HB2 TYR 21 HB2 TYR 21 20.084 31.006 24.584
137 HB3 TYR 21 HB3 TYR 21 20.986 29.544 24.916
138 HD1 TYR 21 HD2 TYR 21 19.847 27.216 24.198
139 HD2 TYR 21 HD1 TYR 21 18.459 31.110 22.905
140 HE1 TYR 21 HE2 TYR 21 18.792 26.207 22.211
141 HE2 TYR 21 HE1 TYR 21 17.364 30.049 20.939
142 HH TYR 21 HH TYR 21 17.083 28.112 19.731
143 H CYS 22 H CYS 22 21.209 28.784 27.555
144 HA CYS 22 HA CYS 22 20.316 26.005 27.324
145 HB2 CYS 22 HB2 CYS 22 22.652 26.553 27.276
146 HB3 CYS 22 HB3 CYS 22 22.568 27.333 28.842
147 H LEU 23 H LEU 23 20.009 28.525 29.821
148 HA LEU 23 HA LEU 23 18.660 26.809 31.735
149 HB2 LEU 23 HB2 LEU 23 19.073 29.723 31.233
150 HB3 LEU 23 HB3 LEU 23 17.621 29.308 32.139
151 HG LEU 23 HG LEU 23 18.886 28.227 33.863
152 HD11 LEU 23 HD11 LEU 23 20.726 27.182 32.643
153 HD12 LEU 23 HD12 LEU 23 21.400 28.783 32.244
154 HD13 LEU 23 HD13 LEU 23 21.346 28.213 33.926
155 HD21 LEU 23 HD21 LEU 23 18.688 30.693 33.935
156 HD22 LEU 23 HD22 LEU 23 20.165 30.130 34.727
157 HD23 LEU 23 HD23 LEU 23 20.247 30.845 33.097
158 H LYS 24 H LYS 24 17.443 28.823 29.010
159 HA LYS 24 HA LYS 24 14.688 28.104 29.326
160 HB2 LYS 24 HB2 LYS 24 16.206 28.985 26.843
161 HB3 LYS 24 HB3 LYS 24 14.458 28.910 26.974
162 HG2 LYS 24 HG2 LYS 24 16.240 30.748 28.635
163 HG3 LYS 24 HG3 LYS 24 15.368 31.196 27.180
164 HD2 LYS 24 HD2 LYS 24 13.238 30.541 28.373
165 HD3 LYS 24 HD3 LYS 24 14.178 30.363 29.855
166 HE2 LYS 24 HE2 LYS 24 13.979 32.917 28.183
167 HE3 LYS 24 HE3 LYS 24 13.021 32.573 29.628
168 HZ1 LYS 24 HZ1 LYS 24 14.871 33.902 30.299
169 HZ2 LYS 24 HZ2 LYS 24 15.156 32.394 30.859
170 HZ3 LYS 24 HZ3 LYS 24 15.976 32.959 29.557
171 H HIS 25 H HIS 25 17.221 26.459 27.470
172 HA HIS 25 HA HIS 25 15.243 24.396 26.558
173 HB2 HIS 25 HB2 HIS 25 17.541 25.766 25.113
174 HB3 HIS 25 HB3 HIS 25 16.592 24.491 24.410
175 HD2 HIS 25 HD2 HIS 25 16.768 28.088 24.349
176 HE1 HIS 25 HE1 HIS 25 12.575 27.457 23.992
177 HE2 HIS 25 HE2 HIS 25 14.458 29.160 23.725
178 H CYS 26 H CYS 26 18.002 24.453 28.494
179 HA CYS 26 HA CYS 26 19.752 23.160 28.872
180 HB2 CYS 26 HB2 CYS 26 17.680 21.829 29.607
181 HB3 CYS 26 HB3 CYS 26 18.124 20.703 28.323
182 H LYS 27 H LYS 27 19.858 24.105 26.260
183 HA LYS 27 HA LYS 27 22.137 22.464 25.374
184 HB2 LYS 27 HB2 LYS 27 21.525 22.843 22.955
185 HB3 LYS 27 HB3 LYS 27 20.575 21.609 23.778
186 HG2 LYS 27 HG2 LYS 27 18.631 22.959 23.830
187 HG3 LYS 27 HG3 LYS 27 19.539 24.453 23.619
188 HD2 LYS 27 HD2 LYS 27 18.298 23.970 21.638
189 HD3 LYS 27 HD3 LYS 27 20.028 23.900 21.285
190 HE2 LYS 27 HE2 LYS 27 19.997 21.487 21.157
191 HE3 LYS 27 HE3 LYS 27 18.406 21.418 21.932
192 HZ1 LYS 27 HZ1 LYS 27 17.455 22.495 19.998
193 HZ2 LYS 27 HZ2 LYS 27 18.908 22.459 19.191
194 HZ3 LYS 27 HZ3 LYS 27 18.159 21.063 19.595
195 H CYS 28 H CYS 28 23.692 23.736 24.125
196 HA CYS 28 HA CYS 28 23.626 26.575 24.768
197 HB2 CYS 28 HB2 CYS 28 25.679 25.090 24.594
198 HB3 CYS 28 HB3 CYS 28 25.480 25.173 22.843
199 H ILE 29 H ILE 29 23.955 28.233 23.058
200 HA ILE 29 HA ILE 29 21.489 28.244 21.556
201 HB ILE 29 HB ILE 29 22.204 30.080 22.972
202 HG12 ILE 29 HG12 ILE 29 21.929 31.037 20.100
203 HG13 ILE 29 HG13 ILE 29 20.601 30.422 21.082
204 HG21 ILE 29 HG21 ILE 29 24.648 30.031 22.483
205 HG22 ILE 29 HG22 ILE 29 24.316 30.736 20.888
206 HG23 ILE 29 HG23 ILE 29 23.955 31.646 22.360
207 HD11 ILE 29 HD11 ILE 29 20.538 32.821 21.175
208 HD12 ILE 29 HD12 ILE 29 21.061 32.241 22.767
209 HD13 ILE 29 HD13 ILE 29 22.242 32.925 21.625
210 HA PRO 30 HA PRO 30 23.179 27.469 17.447
211 HB2 PRO 30 HB2 PRO 30 20.899 29.215 16.533
212 HB3 PRO 30 HB3 PRO 30 21.415 27.617 15.907
213 HG2 PRO 30 HG2 PRO 30 19.261 27.802 17.531
214 HG3 PRO 30 HG3 PRO 30 20.461 26.494 17.799
215 HD2 PRO 30 HD2 PRO 30 20.221 29.148 19.240
216 HD3 PRO 30 HD3 PRO 30 20.438 27.502 19.916
217 H ARG 31 H ARG 31 23.937 28.669 15.464
218 HA ARG 31 HA ARG 31 25.450 30.994 15.954
219 HB2 ARG 31 HB2 ARG 31 25.995 29.241 14.328
220 HB3 ARG 31 HB3 ARG 31 24.575 29.668 13.353
221 HG2 ARG 31 HG2 ARG 31 25.471 31.844 12.875
222 HG3 ARG 31 HG3 ARG 31 26.754 31.637 14.079
223 HD2 ARG 31 HD2 ARG 31 27.696 31.448 11.864
224 HD3 ARG 31 HD3 ARG 31 27.800 29.886 12.690
225 HE ARG 31 HE ARG 31 25.403 29.841 11.198
226 HH11 ARG 31 HH21 ARG 31 28.760 30.469 10.171
227 HH12 ARG 31 HH22 ARG 31 28.411 29.668 8.647
228 HH21 ARG 31 HH11 ARG 31 25.394 28.471 9.386
229 HH22 ARG 31 HH12 ARG 31 26.737 28.656 8.258
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 8.871 25.792 37.480
2 H2 GLY 1 H2 GLY 1 9.136 24.862 38.811
3 H3 GLY 1 H3 GLY 1 9.724 24.388 37.343
4 HA2 GLY 1 HA2 GLY 1 10.580 26.729 38.906
5 HA3 GLY 1 HA3 GLY 1 11.522 25.248 38.642
6 H SER 2 H SER 2 12.939 27.236 37.958
7 HA SER 2 HA SER 2 12.706 27.693 35.002
8 HB2 SER 2 HB2 SER 2 13.785 29.499 37.198
9 HB3 SER 2 HB3 SER 2 13.936 29.827 35.464
10 HG SER 2 HG SER 2 11.772 30.010 35.264
11 H GLY 3 H GLY 3 14.681 27.807 33.776
12 HA2 GLY 3 HA2 GLY 3 16.926 27.381 33.306
13 HA3 GLY 3 HA3 GLY 3 17.226 27.075 35.007
14 H CYS 4 H CYS 4 18.637 25.409 33.872
15 HA CYS 4 HA CYS 4 17.144 22.829 33.850
16 HB2 CYS 4 HB2 CYS 4 17.910 23.372 31.520
17 HB3 CYS 4 HB3 CYS 4 19.580 23.292 32.082
18 H MET 5 H MET 5 20.639 23.564 33.715
19 HA MET 5 HA MET 5 20.974 23.107 36.591
20 HB2 MET 5 HB2 MET 5 22.453 21.610 34.404
21 HB3 MET 5 HB3 MET 5 23.070 21.763 36.055
22 HG2 MET 5 HG2 MET 5 21.136 20.541 36.905
23 HG3 MET 5 HG3 MET 5 20.392 20.513 35.308
24 HE1 MET 5 HE1 MET 5 24.137 18.009 36.440
25 HE2 MET 5 HE2 MET 5 24.257 19.764 36.234
26 HE3 MET 5 HE3 MET 5 23.286 19.087 37.564
27 H LYS 6 H LYS 6 21.815 24.946 37.230
28 HA LYS 6 HA LYS 6 22.641 27.028 35.601
29 HB2 LYS 6 HB2 LYS 6 21.756 27.133 37.915
30 HB3 LYS 6 HB3 LYS 6 23.295 26.513 38.533
31 HG2 LYS 6 HG2 LYS 6 24.457 28.519 37.800
32 HG3 LYS 6 HG3 LYS 6 23.037 29.085 36.926
33 HD2 LYS 6 HD2 LYS 6 23.317 30.303 39.043
34 HD3 LYS 6 HD3 LYS 6 21.805 29.418 38.972
35 HE2 LYS 6 HE2 LYS 6 22.695 29.225 41.190
36 HE3 LYS 6 HE3 LYS 6 22.746 27.634 40.418
37 HZ1 LYS 6 HZ1 LYS 6 25.113 27.947 40.041
38 HZ2 LYS 6 HZ2 LYS 6 25.071 29.471 40.664
39 HZ3 LYS 6 HZ3 LYS 6 24.786 28.159 41.621
40 H GLU 7 H GLU 7 24.769 24.716 37.274
41 HA GLU 7 HA GLU 7 27.227 26.100 36.539
42 HB2 GLU 7 HB2 GLU 7 26.618 23.333 37.627
43 HB3 GLU 7 HB3 GLU 7 28.238 23.810 37.183
44 HG2 GLU 7 HG2 GLU 7 27.873 24.082 39.603
45 HG3 GLU 7 HG3 GLU 7 28.316 25.592 38.799
46 H TYR 8 H TYR 8 25.511 23.275 35.243
47 HA TYR 8 HA TYR 8 27.293 22.467 33.196
48 HB2 TYR 8 HB2 TYR 8 25.315 21.168 33.934
49 HB3 TYR 8 HB3 TYR 8 24.262 22.458 33.410
50 HD1 TYR 8 HD2 TYR 8 26.809 20.091 32.055
51 HD2 TYR 8 HD1 TYR 8 23.287 22.466 31.299
52 HE1 TYR 8 HE2 TYR 8 26.632 19.104 29.755
53 HE2 TYR 8 HE1 TYR 8 23.151 21.532 28.997
54 HH TYR 8 HH TYR 8 25.354 18.979 27.812
55 H CYS 9 H CYS 9 24.494 24.718 33.009
56 HA CYS 9 HA CYS 9 24.976 25.448 30.288
57 HB2 CYS 9 HB2 CYS 9 23.359 26.665 32.555
58 HB3 CYS 9 HB3 CYS 9 23.377 27.349 30.930
59 H ALA 10 H ALA 10 26.039 27.019 33.346
60 HA ALA 10 HA ALA 10 27.249 29.274 32.061
61 HB1 ALA 10 HB1 ALA 10 27.789 27.953 34.755
62 HB2 ALA 10 HB2 ALA 10 28.273 29.594 34.289
63 HB3 ALA 10 HB3 ALA 10 26.557 29.192 34.426
64 H GLY 11 H GLY 11 28.407 25.987 32.552
65 HA2 GLY 11 HA2 GLY 11 31.225 26.647 32.011
66 HA3 GLY 11 HA3 GLY 11 30.536 25.088 32.444
67 H GLN 12 H GLN 12 28.619 24.748 30.338
68 HA GLN 12 HA GLN 12 30.435 24.219 28.070
69 HB2 GLN 12 HB2 GLN 12 27.491 23.549 28.486
70 HB3 GLN 12 HB3 GLN 12 28.468 23.028 27.109
71 HG2 GLN 12 HG2 GLN 12 28.932 22.314 30.013
72 HG3 GLN 12 HG3 GLN 12 28.293 21.239 28.769
73 HE21 GLN 12 HE22 GLN 12 31.074 21.991 30.448
74 HE22 GLN 12 HE21 GLN 12 32.285 21.497 29.277
75 H CYS 13 H CYS 13 28.164 26.679 28.848
76 HA CYS 13 HA CYS 13 28.296 27.719 26.043
77 HB2 CYS 13 HB2 CYS 13 26.073 26.647 27.041
78 HB3 CYS 13 HB3 CYS 13 25.928 28.228 27.804
79 H ARG 14 H ARG 14 28.487 29.965 25.759
80 HA ARG 14 HA ARG 14 29.038 31.617 28.192
81 HB2 ARG 14 HB2 ARG 14 30.890 31.035 25.867
82 HB3 ARG 14 HB3 ARG 14 31.126 32.393 26.972
83 HG2 ARG 14 HG2 ARG 14 31.075 29.481 27.881
84 HG3 ARG 14 HG3 ARG 14 32.545 30.370 27.506
85 HD2 ARG 14 HD2 ARG 14 32.255 31.901 29.302
86 HD3 ARG 14 HD3 ARG 14 30.567 31.486 29.513
87 HE ARG 14 HE ARG 14 31.084 29.513 30.646
88 HH11 ARG 14 HH11 ARG 14 34.152 31.060 29.710
89 HH12 ARG 14 HH12 ARG 14 34.967 30.284 31.052
90 HH21 ARG 14 HH21 ARG 14 32.229 28.770 32.378
91 HH22 ARG 14 HH22 ARG 14 33.931 29.122 32.492
92 H GLY 15 H GLY 15 29.120 33.745 28.046
93 HA2 GLY 15 HA2 GLY 15 28.347 35.840 27.211
94 HA3 GLY 15 HA3 GLY 15 27.644 35.045 25.797
95 H LYS 16 H LYS 16 26.428 36.791 27.847
96 HA LYS 16 HA LYS 16 24.923 35.504 29.867
97 HB2 LYS 16 HB2 LYS 16 25.296 37.921 29.710
98 HB3 LYS 16 HB3 LYS 16 24.419 37.994 28.186
99 HG2 LYS 16 HG2 LYS 16 23.038 38.911 29.855
100 HG3 LYS 16 HG3 LYS 16 22.312 37.383 29.376
101 HD2 LYS 16 HD2 LYS 16 22.884 36.337 31.445
102 HD3 LYS 16 HD3 LYS 16 24.126 37.549 31.802
103 HE2 LYS 16 HE2 LYS 16 22.246 38.007 33.232
104 HE3 LYS 16 HE3 LYS 16 22.406 39.302 32.047
105 HZ1 LYS 16 HZ1 LYS 16 20.596 38.235 30.769
106 HZ2 LYS 16 HZ2 LYS 16 20.407 37.110 31.986
107 HZ3 LYS 16 HZ3 LYS 16 20.142 38.724 32.250
108 H VAL 17 H VAL 17 23.998 36.168 26.493
109 HA VAL 17 HA VAL 17 21.270 35.189 26.826
110 HB VAL 17 HB VAL 17 22.764 35.889 24.275
111 HG11 VAL 17 HG11 VAL 17 20.664 34.679 23.833
112 HG12 VAL 17 HG12 VAL 17 19.781 35.767 24.930
113 HG13 VAL 17 HG13 VAL 17 20.477 36.382 23.417
114 HG21 VAL 17 HG21 VAL 17 21.647 38.116 24.493
115 HG22 VAL 17 HG22 VAL 17 21.111 37.657 26.128
116 HG23 VAL 17 HG23 VAL 17 22.841 37.827 25.753
117 H SER 18 H SER 18 24.330 33.906 25.427
118 HA SER 18 HA SER 18 23.328 31.473 24.419
119 HB2 SER 18 HB2 SER 18 25.976 31.837 25.824
120 HB3 SER 18 HB3 SER 18 25.608 30.826 24.442
121 HG SER 18 HG SER 18 26.803 32.909 24.268
122 H GLN 19 H GLN 19 24.800 32.210 27.637
123 HA GLN 19 HA GLN 19 24.145 29.725 28.884
124 HB2 GLN 19 HB2 GLN 19 24.497 32.542 29.989
125 HB3 GLN 19 HB3 GLN 19 24.255 31.118 31.025
126 HG2 GLN 19 HG2 GLN 19 26.216 30.026 30.111
127 HG3 GLN 19 HG3 GLN 19 26.462 31.304 28.931
128 HE21 GLN 19 HE22 GLN 19 28.572 30.735 30.248
129 HE22 GLN 19 HE21 GLN 19 28.959 32.148 31.247
130 H ASP 20 H ASP 20 22.127 32.710 28.659
131 HA ASP 20 HA ASP 20 19.949 31.701 30.176
132 HB2 ASP 20 HB2 ASP 20 20.315 34.074 29.640
133 HB3 ASP 20 HB3 ASP 20 19.978 33.741 27.936
134 H TYR 21 H TYR 21 20.560 31.481 26.613
135 HA TYR 21 HA TYR 21 18.217 30.072 25.868
136 HB2 TYR 21 HB2 TYR 21 20.151 30.945 24.431
137 HB3 TYR 21 HB3 TYR 21 21.011 29.474 24.834
138 HD1 TYR 21 HD2 TYR 21 19.989 27.187 24.066
139 HD2 TYR 21 HD1 TYR 21 18.538 31.030 22.721
140 HE1 TYR 21 HE2 TYR 21 19.046 26.128 22.041
141 HE2 TYR 21 HE1 TYR 21 17.552 29.942 20.715
142 HH TYR 21 HH TYR 21 17.364 28.003 19.501
143 H CYS 22 H CYS 22 21.183 28.839 27.465
144 HA CYS 22 HA CYS 22 20.281 26.055 27.352
145 HB2 CYS 22 HB2 CYS 22 22.633 26.676 27.282
146 HB3 CYS 22 HB3 CYS 22 22.524 27.407 28.877
147 H LEU 23 H LEU 23 19.937 28.686 29.695
148 HA LEU 23 HA LEU 23 18.674 26.996 31.697
149 HB2 LEU 23 HB2 LEU 23 19.164 29.881 31.176
150 HB3 LEU 23 HB3 LEU 23 17.710 29.533 32.105
151 HG LEU 23 HG LEU 23 18.937 28.416 33.828
152 HD11 LEU 23 HD11 LEU 23 21.412 28.211 33.845
153 HD12 LEU 23 HD12 LEU 23 20.663 27.185 32.639
154 HD13 LEU 23 HD13 LEU 23 21.448 28.709 32.135
155 HD21 LEU 23 HD21 LEU 23 20.506 30.897 33.037
156 HD22 LEU 23 HD22 LEU 23 18.954 30.879 33.913
157 HD23 LEU 23 HD23 LEU 23 20.394 30.172 34.659
158 H LYS 24 H LYS 24 17.350 28.829 28.890
159 HA LYS 24 HA LYS 24 14.607 27.983 29.403
160 HB2 LYS 24 HB2 LYS 24 15.919 28.852 26.792
161 HB3 LYS 24 HB3 LYS 24 14.190 28.712 27.078
162 HG2 LYS 24 HG2 LYS 24 16.088 30.741 28.309
163 HG3 LYS 24 HG3 LYS 24 14.824 31.014 27.124
164 HD2 LYS 24 HD2 LYS 24 13.136 30.290 28.856
165 HD3 LYS 24 HD3 LYS 24 14.437 30.242 30.059
166 HE2 LYS 24 HE2 LYS 24 13.909 32.694 28.339
167 HE3 LYS 24 HE3 LYS 24 12.982 32.410 29.812
168 HZ1 LYS 24 HZ1 LYS 24 15.005 33.842 30.061
169 HZ2 LYS 24 HZ2 LYS 24 14.926 32.595 31.120
170 HZ3 LYS 24 HZ3 LYS 24 15.964 32.562 29.845
171 H HIS 25 H HIS 25 17.185 26.554 27.477
172 HA HIS 25 HA HIS 25 15.323 24.411 26.516
173 HB2 HIS 25 HB2 HIS 25 17.673 25.787 25.164
174 HB3 HIS 25 HB3 HIS 25 16.700 24.547 24.438
175 HD2 HIS 25 HD2 HIS 25 16.969 28.095 24.175
176 HE1 HIS 25 HE1 HIS 25 12.761 27.557 23.866
177 HE2 HIS 25 HE2 HIS 25 14.682 29.117 23.331
178 H CYS 26 H CYS 26 17.974 24.573 28.583
179 HA CYS 26 HA CYS 26 19.641 23.263 29.210
180 HB2 CYS 26 HB2 CYS 26 17.529 21.907 29.657
181 HB3 CYS 26 HB3 CYS 26 18.112 20.823 28.382
182 H LYS 27 H LYS 27 19.606 23.981 26.276
183 HA LYS 27 HA LYS 27 22.087 22.500 25.581
184 HB2 LYS 27 HB2 LYS 27 21.461 22.663 23.175
185 HB3 LYS 27 HB3 LYS 27 20.502 21.500 24.090
186 HG2 LYS 27 HG2 LYS 27 18.568 22.927 24.060
187 HG3 LYS 27 HG3 LYS 27 19.512 24.330 23.573
188 HD2 LYS 27 HD2 LYS 27 18.196 23.497 21.704
189 HD3 LYS 27 HD3 LYS 27 19.924 23.408 21.387
190 HE2 LYS 27 HE2 LYS 27 18.887 21.437 20.505
191 HE3 LYS 27 HE3 LYS 27 19.895 20.959 21.869
192 HZ1 LYS 27 HZ1 LYS 27 17.933 20.695 23.208
193 HZ2 LYS 27 HZ2 LYS 27 16.960 21.405 22.093
194 HZ3 LYS 27 HZ3 LYS 27 17.623 19.948 21.789
195 H CYS 28 H CYS 28 23.516 23.724 24.210
196 HA CYS 28 HA CYS 28 23.486 26.581 24.851
197 HB2 CYS 28 HB2 CYS 28 25.509 25.109 24.949
198 HB3 CYS 28 HB3 CYS 28 25.455 25.005 23.195
199 H ILE 29 H ILE 29 24.055 28.115 23.067
200 HA ILE 29 HA ILE 29 21.615 28.213 21.513
201 HB ILE 29 HB ILE 29 22.434 29.985 22.975
202 HG12 ILE 29 HG12 ILE 29 22.186 31.063 20.177
203 HG13 ILE 29 HG13 ILE 29 20.823 30.439 21.119
204 HG21 ILE 29 HG21 ILE 29 24.589 30.471 20.918
205 HG22 ILE 29 HG22 ILE 29 24.248 31.504 22.292
206 HG23 ILE 29 HG23 ILE 29 24.843 29.853 22.541
207 HD11 ILE 29 HD11 ILE 29 22.543 32.863 21.816
208 HD12 ILE 29 HD12 ILE 29 20.839 32.824 21.332
209 HD13 ILE 29 HD13 ILE 29 21.324 32.155 22.881
210 HA PRO 30 HA PRO 30 23.400 27.745 17.345
211 HB2 PRO 30 HB2 PRO 30 21.192 29.629 16.531
212 HB3 PRO 30 HB3 PRO 30 21.670 28.062 15.809
213 HG2 PRO 30 HG2 PRO 30 19.501 28.203 17.384
214 HG3 PRO 30 HG3 PRO 30 20.663 26.850 17.599
215 HD2 PRO 30 HD2 PRO 30 20.502 29.464 19.145
216 HD3 PRO 30 HD3 PRO 30 20.575 27.792 19.775
217 H ARG 31 H ARG 31 24.611 29.793 19.007
218 HA ARG 31 HA ARG 31 25.516 31.798 17.008
219 HB2 ARG 31 HB2 ARG 31 24.565 32.568 19.793
220 HB3 ARG 31 HB3 ARG 31 25.308 33.641 18.608
221 HG2 ARG 31 HG2 ARG 31 23.347 33.375 17.109
222 HG3 ARG 31 HG3 ARG 31 22.616 32.254 18.268
223 HD2 ARG 31 HD2 ARG 31 22.863 34.166 19.997
224 HD3 ARG 31 HD3 ARG 31 23.102 35.227 18.603
225 HE ARG 31 HE ARG 31 20.760 33.805 18.032
226 HH11 ARG 31 HH11 ARG 31 21.687 35.846 20.786
227 HH12 ARG 31 HH12 ARG 31 19.978 36.175 21.126
228 HH21 ARG 31 HH21 ARG 31 18.632 34.439 18.609
229 HH22 ARG 31 HH22 ARG 31 18.462 35.489 20.002
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 15.560 19.793 38.005
2 H2 GLY 1 H2 GLY 1 16.567 18.745 37.241
3 H3 GLY 1 H3 GLY 1 15.816 19.939 36.383
4 HA2 GLY 1 HA2 GLY 1 17.825 20.371 38.500
5 HA3 GLY 1 HA3 GLY 1 18.133 20.500 36.751
6 H SER 2 H SER 2 18.748 22.666 38.219
7 HA SER 2 HA SER 2 16.647 24.531 38.673
8 HB2 SER 2 HB2 SER 2 18.443 26.058 39.240
9 HB3 SER 2 HB3 SER 2 18.802 24.457 39.881
10 HG SER 2 HG SER 2 20.668 25.103 38.875
11 H GLY 3 H GLY 3 17.641 23.629 35.691
12 HA2 GLY 3 HA2 GLY 3 16.740 24.594 33.668
13 HA3 GLY 3 HA3 GLY 3 16.894 26.196 34.375
14 H CYS 4 H CYS 4 19.955 24.808 32.208
15 HA CYS 4 HA CYS 4 17.880 22.853 32.887
16 HB2 CYS 4 HB2 CYS 4 19.381 23.041 30.812
17 HB3 CYS 4 HB3 CYS 4 20.679 22.375 31.797
18 H MET 5 H MET 5 21.351 23.283 33.646
19 HA MET 5 HA MET 5 20.544 23.693 36.366
20 HB2 MET 5 HB2 MET 5 22.954 21.921 35.778
21 HB3 MET 5 HB3 MET 5 22.625 22.683 37.335
22 HG2 MET 5 HG2 MET 5 20.542 21.400 37.537
23 HG3 MET 5 HG3 MET 5 20.834 20.645 35.968
24 HE1 MET 5 HE1 MET 5 20.222 19.099 38.713
25 HE2 MET 5 HE2 MET 5 20.440 18.275 37.149
26 HE3 MET 5 HE3 MET 5 21.352 17.740 38.576
27 H LYS 6 H LYS 6 21.503 25.640 37.040
28 HA LYS 6 HA LYS 6 22.540 27.306 35.037
29 HB2 LYS 6 HB2 LYS 6 21.347 28.047 37.091
30 HB3 LYS 6 HB3 LYS 6 22.812 27.706 38.045
31 HG2 LYS 6 HG2 LYS 6 24.042 29.409 36.611
32 HG3 LYS 6 HG3 LYS 6 22.535 29.722 35.766
33 HD2 LYS 6 HD2 LYS 6 22.746 31.482 37.335
34 HD3 LYS 6 HD3 LYS 6 21.523 30.392 37.994
35 HE2 LYS 6 HE2 LYS 6 22.888 30.949 39.837
36 HE3 LYS 6 HE3 LYS 6 23.393 29.320 39.383
37 HZ1 LYS 6 HZ1 LYS 6 24.832 31.842 38.711
38 HZ2 LYS 6 HZ2 LYS 6 25.310 30.695 39.778
39 HZ3 LYS 6 HZ3 LYS 6 25.307 30.374 38.181
40 H GLU 7 H GLU 7 24.374 25.659 37.586
41 HA GLU 7 HA GLU 7 26.952 26.759 36.880
42 HB2 GLU 7 HB2 GLU 7 26.094 24.264 38.402
43 HB3 GLU 7 HB3 GLU 7 27.782 24.615 38.064
44 HG2 GLU 7 HG2 GLU 7 27.413 25.440 40.230
45 HG3 GLU 7 HG3 GLU 7 27.524 26.852 39.186
46 H TYR 8 H TYR 8 25.375 23.679 35.925
47 HA TYR 8 HA TYR 8 27.426 22.660 34.273
48 HB2 TYR 8 HB2 TYR 8 25.459 21.416 35.132
49 HB3 TYR 8 HB3 TYR 8 24.409 22.363 34.093
50 HD1 TYR 8 HD2 TYR 8 27.371 20.046 33.898
51 HD2 TYR 8 HD1 TYR 8 23.770 21.505 32.019
52 HE1 TYR 8 HE2 TYR 8 27.591 18.315 32.120
53 HE2 TYR 8 HE1 TYR 8 23.984 19.754 30.260
54 HH TYR 8 HH TYR 8 26.642 17.364 30.266
55 H CYS 9 H CYS 9 24.657 24.762 33.440
56 HA CYS 9 HA CYS 9 25.136 24.980 30.662
57 HB2 CYS 9 HB2 CYS 9 23.757 26.721 32.718
58 HB3 CYS 9 HB3 CYS 9 23.939 27.280 31.058
59 H ALA 10 H ALA 10 26.933 26.587 33.279
60 HA ALA 10 HA ALA 10 28.098 28.575 31.526
61 HB1 ALA 10 HB1 ALA 10 29.496 29.107 33.446
62 HB2 ALA 10 HB2 ALA 10 27.819 28.883 33.977
63 HB3 ALA 10 HB3 ALA 10 29.024 27.603 34.254
64 H GLY 11 H GLY 11 28.752 25.229 31.933
65 HA2 GLY 11 HA2 GLY 11 31.424 25.417 30.598
66 HA3 GLY 11 HA3 GLY 11 30.701 23.976 31.309
67 H GLN 12 H GLN 12 28.089 24.133 30.073
68 HA GLN 12 HA GLN 12 28.650 23.115 27.427
69 HB2 GLN 12 HB2 GLN 12 25.998 23.954 28.665
70 HB3 GLN 12 HB3 GLN 12 26.186 23.022 27.183
71 HG2 GLN 12 HG2 GLN 12 26.983 22.132 29.970
72 HG3 GLN 12 HG3 GLN 12 25.586 21.593 29.054
73 HE21 GLN 12 HE22 GLN 12 28.843 20.877 29.782
74 HE22 GLN 12 HE21 GLN 12 29.080 19.641 28.550
75 H CYS 13 H CYS 13 27.870 26.363 28.543
76 HA CYS 13 HA CYS 13 27.985 27.362 25.760
77 HB2 CYS 13 HB2 CYS 13 25.600 26.658 26.618
78 HB3 CYS 13 HB3 CYS 13 25.696 28.141 27.581
79 H ARG 14 H ARG 14 28.383 29.595 25.511
80 HA ARG 14 HA ARG 14 29.167 31.133 27.976
81 HB2 ARG 14 HB2 ARG 14 30.636 31.041 25.332
82 HB3 ARG 14 HB3 ARG 14 31.152 31.858 26.800
83 HG2 ARG 14 HG2 ARG 14 30.997 28.828 26.392
84 HG3 ARG 14 HG3 ARG 14 32.458 29.791 26.305
85 HD2 ARG 14 HD2 ARG 14 30.766 29.425 28.793
86 HD3 ARG 14 HD3 ARG 14 32.270 28.577 28.427
87 HE ARG 14 HE ARG 14 33.055 31.180 28.227
88 HH11 ARG 14 HH11 ARG 14 31.436 29.414 30.807
89 HH12 ARG 14 HH12 ARG 14 31.621 30.758 31.914
90 HH21 ARG 14 HH21 ARG 14 33.696 32.570 29.845
91 HH22 ARG 14 HH22 ARG 14 33.243 32.265 31.494
92 H GLY 15 H GLY 15 29.197 33.336 27.920
93 HA2 GLY 15 HA2 GLY 15 28.512 35.475 27.176
94 HA3 GLY 15 HA3 GLY 15 27.693 34.764 25.783
95 H LYS 16 H LYS 16 26.631 36.613 27.911
96 HA LYS 16 HA LYS 16 25.239 35.192 29.944
97 HB2 LYS 16 HB2 LYS 16 25.808 37.645 29.905
98 HB3 LYS 16 HB3 LYS 16 24.501 37.890 28.733
99 HG2 LYS 16 HG2 LYS 16 22.887 36.976 30.450
100 HG3 LYS 16 HG3 LYS 16 24.228 36.871 31.604
101 HD2 LYS 16 HD2 LYS 16 24.602 39.341 31.311
102 HD3 LYS 16 HD3 LYS 16 23.200 39.409 30.239
103 HE2 LYS 16 HE2 LYS 16 23.188 38.647 33.199
104 HE3 LYS 16 HE3 LYS 16 22.651 40.181 32.496
105 HZ1 LYS 16 HZ1 LYS 16 20.692 38.953 32.766
106 HZ2 LYS 16 HZ2 LYS 16 21.030 38.710 31.175
107 HZ3 LYS 16 HZ3 LYS 16 21.345 37.540 32.268
108 H VAL 17 H VAL 17 24.111 36.184 26.723
109 HA VAL 17 HA VAL 17 21.343 35.376 27.202
110 HB VAL 17 HB VAL 17 22.708 36.113 24.589
111 HG11 VAL 17 HG11 VAL 17 20.562 34.968 24.202
112 HG12 VAL 17 HG12 VAL 17 19.756 36.033 25.379
113 HG13 VAL 17 HG13 VAL 17 20.401 36.686 23.859
114 HG21 VAL 17 HG21 VAL 17 22.899 37.946 26.197
115 HG22 VAL 17 HG22 VAL 17 21.675 38.347 24.990
116 HG23 VAL 17 HG23 VAL 17 21.178 37.808 26.614
117 H SER 18 H SER 18 24.204 34.006 25.562
118 HA SER 18 HA SER 18 23.024 31.648 24.518
119 HB2 SER 18 HB2 SER 18 25.787 31.983 25.703
120 HB3 SER 18 HB3 SER 18 25.306 30.962 24.353
121 HG SER 18 HG SER 18 26.416 32.941 23.803
122 H GLN 19 H GLN 19 24.810 32.163 27.697
123 HA GLN 19 HA GLN 19 23.942 29.697 28.833
124 HB2 GLN 19 HB2 GLN 19 24.649 32.370 30.087
125 HB3 GLN 19 HB3 GLN 19 24.279 30.919 31.040
126 HG2 GLN 19 HG2 GLN 19 26.066 29.660 29.972
127 HG3 GLN 19 HG3 GLN 19 26.418 30.990 28.870
128 HE21 GLN 19 HE22 GLN 19 28.568 30.260 29.963
129 HE22 GLN 19 HE21 GLN 19 29.037 31.333 31.305
130 H ASP 20 H ASP 20 22.087 32.800 28.731
131 HA ASP 20 HA ASP 20 19.864 31.861 30.278
132 HB2 ASP 20 HB2 ASP 20 20.258 34.208 29.825
133 HB3 ASP 20 HB3 ASP 20 20.032 33.944 28.098
134 H TYR 21 H TYR 21 20.574 31.552 26.761
135 HA TYR 21 HA TYR 21 18.213 30.130 26.042
136 HB2 TYR 21 HB2 TYR 21 20.158 31.050 24.591
137 HB3 TYR 21 HB3 TYR 21 20.959 29.525 24.902
138 HD1 TYR 21 HD1 TYR 21 18.175 31.230 23.257
139 HD2 TYR 21 HD2 TYR 21 20.037 27.356 23.880
140 HE1 TYR 21 HE1 TYR 21 16.972 30.323 21.292
141 HE2 TYR 21 HE2 TYR 21 18.846 26.494 21.879
142 HH TYR 21 HH TYR 21 16.666 28.551 19.930
143 H CYS 22 H CYS 22 21.267 28.926 27.483
144 HA CYS 22 HA CYS 22 20.479 26.124 27.384
145 HB2 CYS 22 HB2 CYS 22 22.794 26.849 27.475
146 HB3 CYS 22 HB3 CYS 22 22.555 27.565 29.070
147 H LEU 23 H LEU 23 20.022 28.700 29.764
148 HA LEU 23 HA LEU 23 18.775 27.147 31.816
149 HB2 LEU 23 HB2 LEU 23 19.086 29.990 31.045
150 HB3 LEU 23 HB3 LEU 23 17.611 29.645 31.925
151 HG LEU 23 HG LEU 23 18.884 28.725 33.805
152 HD11 LEU 23 HD11 LEU 23 21.386 29.479 32.204
153 HD12 LEU 23 HD12 LEU 23 21.343 28.932 33.902
154 HD13 LEU 23 HD13 LEU 23 20.887 27.836 32.606
155 HD21 LEU 23 HD21 LEU 23 18.407 31.130 33.716
156 HD22 LEU 23 HD22 LEU 23 19.964 30.846 34.501
157 HD23 LEU 23 HD23 LEU 23 19.900 31.424 32.806
158 H LYS 24 H LYS 24 17.457 28.469 28.805
159 HA LYS 24 HA LYS 24 14.693 27.627 29.398
160 HB2 LYS 24 HB2 LYS 24 16.049 28.421 26.800
161 HB3 LYS 24 HB3 LYS 24 14.324 28.110 26.990
162 HG2 LYS 24 HG2 LYS 24 14.135 30.092 28.471
163 HG3 LYS 24 HG3 LYS 24 15.870 30.394 28.268
164 HD2 LYS 24 HD2 LYS 24 15.523 30.481 25.769
165 HD3 LYS 24 HD3 LYS 24 13.780 30.325 26.059
166 HE2 LYS 24 HE2 LYS 24 13.905 32.450 27.424
167 HE3 LYS 24 HE3 LYS 24 15.598 32.613 26.929
168 HZ1 LYS 24 HZ1 LYS 24 14.101 33.855 25.466
169 HZ2 LYS 24 HZ2 LYS 24 14.797 32.636 24.596
170 HZ3 LYS 24 HZ3 LYS 24 13.254 32.496 25.122
171 H HIS 25 H HIS 25 17.351 26.426 27.395
172 HA HIS 25 HA HIS 25 15.611 24.199 26.415
173 HB2 HIS 25 HB2 HIS 25 17.777 25.866 25.068
174 HB3 HIS 25 HB3 HIS 25 16.930 24.554 24.291
175 HD2 HIS 25 HD2 HIS 25 16.781 28.145 24.409
176 HE1 HIS 25 HE1 HIS 25 12.715 27.056 23.759
177 HE2 HIS 25 HE2 HIS 25 14.406 28.978 23.675
178 H CYS 26 H CYS 26 18.317 24.257 28.384
179 HA CYS 26 HA CYS 26 19.975 22.811 28.860
180 HB2 CYS 26 HB2 CYS 26 18.190 20.798 27.464
181 HB3 CYS 26 HB3 CYS 26 19.555 20.398 28.499
182 H LYS 27 H LYS 27 19.982 24.025 25.995
183 HA LYS 27 HA LYS 27 22.504 22.703 25.138
184 HB2 LYS 27 HB2 LYS 27 21.792 22.886 22.792
185 HB3 LYS 27 HB3 LYS 27 20.735 21.809 23.723
186 HG2 LYS 27 HG2 LYS 27 19.033 23.614 23.845
187 HG3 LYS 27 HG3 LYS 27 20.116 24.721 23.005
188 HD2 LYS 27 HD2 LYS 27 18.426 23.848 21.494
189 HD3 LYS 27 HD3 LYS 27 20.048 23.323 20.996
190 HE2 LYS 27 HE2 LYS 27 19.646 21.109 22.076
191 HE3 LYS 27 HE3 LYS 27 18.033 21.644 22.568
192 HZ1 LYS 27 HZ1 LYS 27 17.973 20.344 20.518
193 HZ2 LYS 27 HZ2 LYS 27 17.460 21.882 20.239
194 HZ3 LYS 27 HZ3 LYS 27 18.956 21.398 19.752
195 H CYS 28 H CYS 28 23.680 24.093 23.492
196 HA CYS 28 HA CYS 28 23.594 26.905 24.385
197 HB2 CYS 28 HB2 CYS 28 25.720 25.477 24.285
198 HB3 CYS 28 HB3 CYS 28 25.630 25.687 22.535
199 H ILE 29 H ILE 29 23.907 28.624 22.805
200 HA ILE 29 HA ILE 29 21.599 28.472 21.054
201 HB ILE 29 HB ILE 29 22.000 30.238 22.737
202 HG12 ILE 29 HG12 ILE 29 21.553 31.281 19.927
203 HG13 ILE 29 HG13 ILE 29 20.350 30.454 20.931
204 HG21 ILE 29 HG21 ILE 29 24.441 30.624 22.229
205 HG22 ILE 29 HG22 ILE 29 23.937 31.491 20.763
206 HG23 ILE 29 HG23 ILE 29 23.460 32.092 22.349
207 HD11 ILE 29 HD11 ILE 29 21.620 33.170 21.477
208 HD12 ILE 29 HD12 ILE 29 19.928 32.807 21.093
209 HD13 ILE 29 HD13 ILE 29 20.607 32.287 22.646
210 HA PRO 30 HA PRO 30 24.113 28.076 17.345
211 HB2 PRO 30 HB2 PRO 30 22.208 28.105 15.411
212 HB3 PRO 30 HB3 PRO 30 22.345 26.742 16.564
213 HG2 PRO 30 HG2 PRO 30 20.485 29.139 16.730
214 HG3 PRO 30 HG3 PRO 30 20.066 27.404 16.897
215 HD2 PRO 30 HD2 PRO 30 20.509 29.002 19.061
216 HD3 PRO 30 HD3 PRO 30 21.021 27.289 19.052
217 H ARG 31 H ARG 31 24.679 30.937 15.511
218 HA ARG 31 HA ARG 31 24.684 28.044 15.224
219 HB2 ARG 31 HB2 ARG 31 25.746 28.256 13.296
220 HB3 ARG 31 HB3 ARG 31 24.889 29.774 13.331
221 HG2 ARG 31 HG2 ARG 31 27.854 29.411 13.997
222 HG3 ARG 31 HG3 ARG 31 27.209 29.803 12.421
223 HD2 ARG 31 HD2 ARG 31 28.021 31.796 13.325
224 HD3 ARG 31 HD3 ARG 31 26.256 31.919 13.314
225 HE ARG 31 HE ARG 31 27.039 30.972 15.871
226 HH11 ARG 31 HH11 ARG 31 27.707 33.915 14.004
227 HH12 ARG 31 HH12 ARG 31 27.710 34.883 15.482
228 HH21 ARG 31 HH21 ARG 31 27.005 32.394 17.636
229 HH22 ARG 31 HH22 ARG 31 27.445 34.072 17.362
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 16.705 22.591 39.583
2 H2 GLY 1 H2 GLY 1 17.399 23.743 40.516
3 H3 GLY 1 H3 GLY 1 17.922 22.177 40.625
4 HA2 GLY 1 HA2 GLY 1 19.480 23.588 39.398
5 HA3 GLY 1 HA3 GLY 1 18.847 22.224 38.453
6 H SER 2 H SER 2 19.503 25.472 38.214
7 HA SER 2 HA SER 2 17.115 26.546 37.169
8 HB2 SER 2 HB2 SER 2 19.869 27.561 36.442
9 HB3 SER 2 HB3 SER 2 18.364 28.470 36.691
10 HG SER 2 HG SER 2 19.482 28.702 38.594
11 H GLY 3 H GLY 3 16.063 25.837 35.404
12 HA2 GLY 3 HA2 GLY 3 15.553 25.287 33.212
13 HA3 GLY 3 HA3 GLY 3 17.163 25.796 32.737
14 H CYS 4 H CYS 4 18.869 24.247 33.740
15 HA CYS 4 HA CYS 4 18.084 21.417 33.881
16 HB2 CYS 4 HB2 CYS 4 19.563 22.485 31.636
17 HB3 CYS 4 HB3 CYS 4 20.652 21.473 32.578
18 H MET 5 H MET 5 21.205 23.170 33.887
19 HA MET 5 HA MET 5 20.915 23.843 36.663
20 HB2 MET 5 HB2 MET 5 23.332 22.164 35.831
21 HB3 MET 5 HB3 MET 5 23.261 23.170 37.276
22 HG2 MET 5 HG2 MET 5 21.241 21.861 38.036
23 HG3 MET 5 HG3 MET 5 21.575 20.742 36.695
24 HE1 MET 5 HE1 MET 5 22.615 18.587 39.721
25 HE2 MET 5 HE2 MET 5 21.241 19.710 39.567
26 HE3 MET 5 HE3 MET 5 21.700 18.673 38.207
27 H LYS 6 H LYS 6 21.905 25.780 37.072
28 HA LYS 6 HA LYS 6 22.785 27.555 35.011
29 HB2 LYS 6 HB2 LYS 6 21.922 28.251 37.224
30 HB3 LYS 6 HB3 LYS 6 23.312 27.516 38.021
31 HG2 LYS 6 HG2 LYS 6 24.816 29.135 36.860
32 HG3 LYS 6 HG3 LYS 6 23.395 29.880 36.102
33 HD2 LYS 6 HD2 LYS 6 22.518 30.492 38.325
34 HD3 LYS 6 HD3 LYS 6 23.879 29.667 39.107
35 HE2 LYS 6 HE2 LYS 6 25.464 31.208 37.965
36 HE3 LYS 6 HE3 LYS 6 24.110 32.035 37.188
37 HZ1 LYS 6 HZ1 LYS 6 23.313 32.683 39.374
38 HZ2 LYS 6 HZ2 LYS 6 24.545 31.893 40.122
39 HZ3 LYS 6 HZ3 LYS 6 24.857 33.204 39.179
40 H GLU 7 H GLU 7 24.608 25.506 37.230
41 HA GLU 7 HA GLU 7 27.260 26.257 36.557
42 HB2 GLU 7 HB2 GLU 7 26.083 23.643 37.620
43 HB3 GLU 7 HB3 GLU 7 27.803 23.990 37.522
44 HG2 GLU 7 HG2 GLU 7 27.134 24.424 39.756
45 HG3 GLU 7 HG3 GLU 7 27.517 25.965 38.987
46 H TYR 8 H TYR 8 25.388 23.435 35.389
47 HA TYR 8 HA TYR 8 27.204 22.440 33.452
48 HB2 TYR 8 HB2 TYR 8 25.259 21.201 34.265
49 HB3 TYR 8 HB3 TYR 8 24.163 22.417 33.644
50 HD1 TYR 8 HD2 TYR 8 26.428 19.642 32.695
51 HD2 TYR 8 HD1 TYR 8 23.483 22.483 31.332
52 HE1 TYR 8 HE2 TYR 8 26.114 18.316 30.601
53 HE2 TYR 8 HE1 TYR 8 23.177 21.160 29.235
54 HH TYR 8 HH TYR 8 24.880 18.063 28.680
55 H CYS 9 H CYS 9 24.470 24.757 33.069
56 HA CYS 9 HA CYS 9 24.906 25.270 30.319
57 HB2 CYS 9 HB2 CYS 9 23.612 26.866 32.556
58 HB3 CYS 9 HB3 CYS 9 23.645 27.437 30.890
59 H ALA 10 H ALA 10 26.550 26.754 33.128
60 HA ALA 10 HA ALA 10 27.994 28.609 31.408
61 HB1 ALA 10 HB1 ALA 10 29.134 29.228 33.520
62 HB2 ALA 10 HB2 ALA 10 27.368 29.233 33.682
63 HB3 ALA 10 HB3 ALA 10 28.312 27.882 34.342
64 H GLY 11 H GLY 11 28.584 25.325 32.448
65 HA2 GLY 11 HA2 GLY 11 31.426 25.292 31.713
66 HA3 GLY 11 HA3 GLY 11 30.383 23.912 32.069
67 H GLN 12 H GLN 12 28.346 24.496 30.116
68 HA GLN 12 HA GLN 12 29.727 23.529 27.678
69 HB2 GLN 12 HB2 GLN 12 26.785 23.488 28.426
70 HB3 GLN 12 HB3 GLN 12 27.539 22.631 27.078
71 HG2 GLN 12 HG2 GLN 12 28.084 22.119 30.034
72 HG3 GLN 12 HG3 GLN 12 27.050 21.156 28.992
73 HE21 GLN 12 HE22 GLN 12 28.088 19.851 27.250
74 HE22 GLN 12 HE21 GLN 12 29.761 19.364 27.547
75 H CYS 13 H CYS 13 28.273 26.459 28.687
76 HA CYS 13 HA CYS 13 28.392 27.511 25.923
77 HB2 CYS 13 HB2 CYS 13 26.020 26.640 26.736
78 HB3 CYS 13 HB3 CYS 13 25.992 28.151 27.641
79 H ARG 14 H ARG 14 28.724 29.799 25.792
80 HA ARG 14 HA ARG 14 29.041 31.329 28.355
81 HB2 ARG 14 HB2 ARG 14 31.086 31.012 26.169
82 HB3 ARG 14 HB3 ARG 14 31.148 32.244 27.438
83 HG2 ARG 14 HG2 ARG 14 31.302 30.558 29.194
84 HG3 ARG 14 HG3 ARG 14 31.184 29.246 28.012
85 HD2 ARG 14 HD2 ARG 14 33.395 31.335 28.007
86 HD3 ARG 14 HD3 ARG 14 33.527 29.763 28.793
87 HE ARG 14 HE ARG 14 33.447 30.293 25.868
88 HH11 ARG 14 HH11 ARG 14 33.537 27.722 28.340
89 HH12 ARG 14 HH12 ARG 14 34.305 26.659 27.162
90 HH21 ARG 14 HH21 ARG 14 34.061 28.754 24.518
91 HH22 ARG 14 HH22 ARG 14 34.333 27.106 25.093
92 H GLY 15 H GLY 15 29.197 33.508 28.264
93 HA2 GLY 15 HA2 GLY 15 28.494 35.641 27.420
94 HA3 GLY 15 HA3 GLY 15 27.774 34.860 26.008
95 H LYS 16 H LYS 16 26.646 36.626 28.212
96 HA LYS 16 HA LYS 16 25.216 35.113 30.125
97 HB2 LYS 16 HB2 LYS 16 25.922 37.593 30.032
98 HB3 LYS 16 HB3 LYS 16 24.431 37.873 29.125
99 HG2 LYS 16 HG2 LYS 16 23.157 36.874 31.079
100 HG3 LYS 16 HG3 LYS 16 24.690 36.745 31.950
101 HD2 LYS 16 HD2 LYS 16 23.317 39.290 30.992
102 HD3 LYS 16 HD3 LYS 16 23.501 38.742 32.659
103 HE2 LYS 16 HE2 LYS 16 25.984 38.988 32.464
104 HE3 LYS 16 HE3 LYS 16 25.775 39.568 30.803
105 HZ1 LYS 16 HZ1 LYS 16 24.807 40.916 33.258
106 HZ2 LYS 16 HZ2 LYS 16 25.977 41.444 32.207
107 HZ3 LYS 16 HZ3 LYS 16 24.422 41.407 31.735
108 H VAL 17 H VAL 17 24.174 36.232 26.932
109 HA VAL 17 HA VAL 17 21.398 35.324 27.222
110 HB VAL 17 HB VAL 17 22.926 36.165 24.736
111 HG11 VAL 17 HG11 VAL 17 20.690 36.698 23.807
112 HG12 VAL 17 HG12 VAL 17 20.876 34.978 24.115
113 HG13 VAL 17 HG13 VAL 17 19.930 35.986 25.245
114 HG21 VAL 17 HG21 VAL 17 21.180 37.780 26.628
115 HG22 VAL 17 HG22 VAL 17 22.927 37.969 26.354
116 HG23 VAL 17 HG23 VAL 17 21.800 38.357 25.056
117 H SER 18 H SER 18 24.420 34.059 25.786
118 HA SER 18 HA SER 18 23.356 31.790 24.492
119 HB2 SER 18 HB2 SER 18 26.020 32.040 25.901
120 HB3 SER 18 HB3 SER 18 25.645 31.081 24.486
121 HG SER 18 HG SER 18 26.807 33.094 24.170
122 H GLN 19 H GLN 19 24.817 32.165 27.769
123 HA GLN 19 HA GLN 19 23.942 29.640 28.788
124 HB2 GLN 19 HB2 GLN 19 24.563 32.307 30.100
125 HB3 GLN 19 HB3 GLN 19 24.220 30.828 31.020
126 HG2 GLN 19 HG2 GLN 19 26.083 29.666 30.004
127 HG3 GLN 19 HG3 GLN 19 26.399 30.978 28.879
128 HE21 GLN 19 HE22 GLN 19 28.549 30.234 30.134
129 HE22 GLN 19 HE21 GLN 19 28.955 31.411 31.403
130 H ASP 20 H ASP 20 22.079 32.735 28.586
131 HA ASP 20 HA ASP 20 19.896 31.751 30.176
132 HB2 ASP 20 HB2 ASP 20 20.381 34.146 29.758
133 HB3 ASP 20 HB3 ASP 20 19.855 33.939 28.084
134 H TYR 21 H TYR 21 20.500 31.577 26.604
135 HA TYR 21 HA TYR 21 18.101 30.167 25.936
136 HB2 TYR 21 HB2 TYR 21 19.795 30.943 24.286
137 HB3 TYR 21 HB3 TYR 21 20.900 29.708 24.846
138 HD1 TYR 21 HD2 TYR 21 17.753 30.282 22.968
139 HD2 TYR 21 HD1 TYR 21 20.630 27.332 24.243
140 HE1 TYR 21 HE2 TYR 21 16.778 28.616 21.380
141 HE2 TYR 21 HE1 TYR 21 19.688 25.702 22.642
142 HH TYR 21 HH TYR 21 18.201 25.366 20.909
143 H CYS 22 H CYS 22 21.110 28.919 27.447
144 HA CYS 22 HA CYS 22 20.268 26.138 27.306
145 HB2 CYS 22 HB2 CYS 22 22.602 26.802 27.433
146 HB3 CYS 22 HB3 CYS 22 22.352 27.532 29.013
147 H LEU 23 H LEU 23 19.829 28.692 29.732
148 HA LEU 23 HA LEU 23 18.449 27.107 31.685
149 HB2 LEU 23 HB2 LEU 23 18.906 29.962 31.018
150 HB3 LEU 23 HB3 LEU 23 17.391 29.650 31.846
151 HG LEU 23 HG LEU 23 18.543 28.633 33.733
152 HD11 LEU 23 HD11 LEU 23 20.485 27.566 32.673
153 HD12 LEU 23 HD12 LEU 23 21.137 29.158 32.210
154 HD13 LEU 23 HD13 LEU 23 21.020 28.695 33.920
155 HD21 LEU 23 HD21 LEU 23 19.768 30.643 34.501
156 HD22 LEU 23 HD22 LEU 23 19.833 31.248 32.835
157 HD23 LEU 23 HD23 LEU 23 18.263 31.077 33.664
158 H LYS 24 H LYS 24 17.397 28.228 28.549
159 HA LYS 24 HA LYS 24 14.532 27.617 29.135
160 HB2 LYS 24 HB2 LYS 24 15.892 28.599 26.607
161 HB3 LYS 24 HB3 LYS 24 14.148 28.388 26.822
162 HG2 LYS 24 HG2 LYS 24 14.167 30.135 28.563
163 HG3 LYS 24 HG3 LYS 24 15.915 30.322 28.389
164 HD2 LYS 24 HD2 LYS 24 15.474 30.827 25.900
165 HD3 LYS 24 HD3 LYS 24 13.763 30.962 26.363
166 HE2 LYS 24 HE2 LYS 24 14.446 32.679 28.100
167 HE3 LYS 24 HE3 LYS 24 16.077 32.615 27.417
168 HZ1 LYS 24 HZ1 LYS 24 15.124 33.277 25.272
169 HZ2 LYS 24 HZ2 LYS 24 13.620 33.340 25.899
170 HZ3 LYS 24 HZ3 LYS 24 14.779 34.416 26.399
171 H HIS 25 H HIS 25 17.277 26.212 27.458
172 HA HIS 25 HA HIS 25 15.590 23.925 26.481
173 HB2 HIS 25 HB2 HIS 25 17.559 25.592 24.875
174 HB3 HIS 25 HB3 HIS 25 16.690 24.181 24.282
175 HD2 HIS 25 HD2 HIS 25 16.384 27.868 24.497
176 HE1 HIS 25 HE1 HIS 25 12.492 26.509 23.412
177 HE2 HIS 25 HE2 HIS 25 14.006 28.538 23.541
178 H CYS 26 H CYS 26 18.196 24.243 28.461
179 HA CYS 26 HA CYS 26 19.949 22.960 29.012
180 HB2 CYS 26 HB2 CYS 26 17.880 21.606 29.423
181 HB3 CYS 26 HB3 CYS 26 18.255 20.688 27.976
182 H LYS 27 H LYS 27 20.249 23.995 26.347
183 HA LYS 27 HA LYS 27 22.526 22.374 25.327
184 HB2 LYS 27 HB2 LYS 27 20.227 23.483 23.650
185 HB3 LYS 27 HB3 LYS 27 21.721 22.804 22.996
186 HG2 LYS 27 HG2 LYS 27 21.178 20.592 23.893
187 HG3 LYS 27 HG3 LYS 27 19.727 21.225 24.676
188 HD2 LYS 27 HD2 LYS 27 18.794 21.889 22.508
189 HD3 LYS 27 HD3 LYS 27 20.234 21.228 21.692
190 HE2 LYS 27 HE2 LYS 27 19.745 18.985 22.749
191 HE3 LYS 27 HE3 LYS 27 18.259 19.660 23.427
192 HZ1 LYS 27 HZ1 LYS 27 17.800 18.472 21.392
193 HZ2 LYS 27 HZ2 LYS 27 17.521 20.086 21.125
194 HZ3 LYS 27 HZ3 LYS 27 18.890 19.341 20.562
195 H CYS 28 H CYS 28 23.955 23.791 23.891
196 HA CYS 28 HA CYS 28 23.912 26.572 24.862
197 HB2 CYS 28 HB2 CYS 28 26.028 25.206 24.501
198 HB3 CYS 28 HB3 CYS 28 25.707 25.405 22.770
199 H ILE 29 H ILE 29 23.988 28.361 23.349
200 HA ILE 29 HA ILE 29 21.519 28.393 21.969
201 HB ILE 29 HB ILE 29 22.443 30.248 23.228
202 HG12 ILE 29 HG12 ILE 29 21.782 31.047 20.370
203 HG13 ILE 29 HG13 ILE 29 20.615 30.595 21.620
204 HG21 ILE 29 HG21 ILE 29 24.152 31.737 22.350
205 HG22 ILE 29 HG22 ILE 29 24.797 30.105 22.472
206 HG23 ILE 29 HG23 ILE 29 24.314 30.763 20.885
207 HD11 ILE 29 HD11 ILE 29 20.654 32.973 21.513
208 HD12 ILE 29 HD12 ILE 29 21.434 32.504 23.032
209 HD13 ILE 29 HD13 ILE 29 22.419 33.040 21.646
210 HA PRO 30 HA PRO 30 22.814 27.129 17.896
211 HB2 PRO 30 HB2 PRO 30 20.615 27.764 16.409
212 HB3 PRO 30 HB3 PRO 30 20.666 26.390 17.552
213 HG2 PRO 30 HG2 PRO 30 19.572 29.175 18.071
214 HG3 PRO 30 HG3 PRO 30 18.786 27.597 18.403
215 HD2 PRO 30 HD2 PRO 30 20.091 28.913 20.347
216 HD3 PRO 30 HD3 PRO 30 20.254 27.141 20.198
217 H ARG 31 H ARG 31 24.440 28.264 17.101
218 HA ARG 31 HA ARG 31 24.110 30.825 15.736
219 HB2 ARG 31 HB2 ARG 31 24.545 31.325 18.113
220 HB3 ARG 31 HB3 ARG 31 25.932 30.217 18.127
221 HG2 ARG 31 HG2 ARG 31 27.149 31.539 16.588
222 HG3 ARG 31 HG3 ARG 31 25.753 32.576 16.243
223 HD2 ARG 31 HD2 ARG 31 27.227 32.404 18.910
224 HD3 ARG 31 HD3 ARG 31 27.388 33.717 17.731
225 HE ARG 31 HE ARG 31 24.635 33.518 18.334
226 HH11 ARG 31 HH11 ARG 31 27.547 34.444 20.143
227 HH12 ARG 31 HH12 ARG 31 26.616 35.606 21.040
228 HH21 ARG 31 HH21 ARG 31 23.588 34.750 19.746
229 HH22 ARG 31 HH22 ARG 31 24.447 35.447 21.124
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 10.236 24.815 35.483
2 H2 GLY 1 H2 GLY 1 10.248 23.192 35.767
3 H3 GLY 1 H3 GLY 1 11.027 23.814 34.457
4 HA2 GLY 1 HA2 GLY 1 11.773 24.307 37.271
5 HA3 GLY 1 HA3 GLY 1 12.612 23.207 36.162
6 H SER 2 H SER 2 14.301 24.980 37.150
7 HA SER 2 HA SER 2 14.437 27.452 35.608
8 HB2 SER 2 HB2 SER 2 16.432 26.200 37.508
9 HB3 SER 2 HB3 SER 2 16.546 27.816 36.788
10 HG SER 2 HG SER 2 14.451 28.253 37.750
11 H GLY 3 H GLY 3 14.223 25.600 33.708
12 HA2 GLY 3 HA2 GLY 3 15.131 25.114 31.636
13 HA3 GLY 3 HA3 GLY 3 16.596 25.978 32.117
14 H CYS 4 H CYS 4 18.127 24.854 33.487
15 HA CYS 4 HA CYS 4 17.928 21.994 33.882
16 HB2 CYS 4 HB2 CYS 4 19.557 23.046 31.657
17 HB3 CYS 4 HB3 CYS 4 20.475 22.040 32.777
18 H MET 5 H MET 5 21.036 23.732 33.856
19 HA MET 5 HA MET 5 20.783 24.628 36.608
20 HB2 MET 5 HB2 MET 5 22.871 22.536 35.853
21 HB3 MET 5 HB3 MET 5 22.913 23.521 37.316
22 HG2 MET 5 HG2 MET 5 20.740 22.530 38.022
23 HG3 MET 5 HG3 MET 5 20.784 21.488 36.596
24 HE1 MET 5 HE1 MET 5 20.297 20.267 39.366
25 HE2 MET 5 HE2 MET 5 20.519 19.260 37.917
26 HE3 MET 5 HE3 MET 5 21.422 18.893 39.403
27 H LYS 6 H LYS 6 22.275 26.272 37.070
28 HA LYS 6 HA LYS 6 23.403 27.780 34.891
29 HB2 LYS 6 HB2 LYS 6 24.074 27.835 37.870
30 HB3 LYS 6 HB3 LYS 6 24.550 29.052 36.683
31 HG2 LYS 6 HG2 LYS 6 22.135 29.539 36.241
32 HG3 LYS 6 HG3 LYS 6 21.681 28.418 37.532
33 HD2 LYS 6 HD2 LYS 6 23.530 30.812 37.918
34 HD3 LYS 6 HD3 LYS 6 21.795 30.892 38.188
35 HE2 LYS 6 HE2 LYS 6 23.356 28.721 39.610
36 HE3 LYS 6 HE3 LYS 6 23.554 30.383 40.166
37 HZ1 LYS 6 HZ1 LYS 6 21.727 29.152 41.286
38 HZ2 LYS 6 HZ2 LYS 6 21.274 30.570 40.599
39 HZ3 LYS 6 HZ3 LYS 6 20.868 29.155 39.877
40 H GLU 7 H GLU 7 24.933 25.663 37.313
41 HA GLU 7 HA GLU 7 27.617 26.014 36.442
42 HB2 GLU 7 HB2 GLU 7 26.337 23.628 37.853
43 HB3 GLU 7 HB3 GLU 7 28.055 23.919 37.677
44 HG2 GLU 7 HG2 GLU 7 27.733 24.707 39.795
45 HG3 GLU 7 HG3 GLU 7 27.651 26.196 38.866
46 H TYR 8 H TYR 8 25.225 23.542 35.500
47 HA TYR 8 HA TYR 8 26.795 21.870 33.907
48 HB2 TYR 8 HB2 TYR 8 24.493 21.389 34.558
49 HB3 TYR 8 HB3 TYR 8 23.897 22.718 33.574
50 HD1 TYR 8 HD2 TYR 8 25.865 19.534 33.299
51 HD2 TYR 8 HD1 TYR 8 23.213 22.316 31.349
52 HE1 TYR 8 HE2 TYR 8 25.685 17.995 31.335
53 HE2 TYR 8 HE1 TYR 8 23.026 20.783 29.402
54 HH TYR 8 HH TYR 8 23.577 18.727 28.535
55 H CYS 9 H CYS 9 25.045 24.806 32.892
56 HA CYS 9 HA CYS 9 26.190 24.568 30.195
57 HB2 CYS 9 HB2 CYS 9 23.968 26.092 31.437
58 HB3 CYS 9 HB3 CYS 9 24.756 26.829 30.034
59 H ALA 10 H ALA 10 27.015 26.535 33.053
60 HA ALA 10 HA ALA 10 28.982 28.130 31.652
61 HB1 ALA 10 HB1 ALA 10 28.868 27.011 34.488
62 HB2 ALA 10 HB2 ALA 10 30.041 28.211 33.918
63 HB3 ALA 10 HB3 ALA 10 28.312 28.607 33.943
64 H GLY 11 H GLY 11 28.864 24.739 32.574
65 HA2 GLY 11 HA2 GLY 11 31.593 24.064 31.756
66 HA3 GLY 11 HA3 GLY 11 30.285 22.958 32.191
67 H GLN 12 H GLN 12 29.115 25.111 29.857
68 HA GLN 12 HA GLN 12 29.972 23.434 27.531
69 HB2 GLN 12 HB2 GLN 12 27.246 24.697 28.036
70 HB3 GLN 12 HB3 GLN 12 27.741 23.908 26.547
71 HG2 GLN 12 HG2 GLN 12 27.679 22.454 29.211
72 HG3 GLN 12 HG3 GLN 12 26.285 22.575 28.162
73 HE21 GLN 12 HE22 GLN 12 28.524 20.411 29.015
74 HE22 GLN 12 HE21 GLN 12 28.749 19.561 27.484
75 H CYS 13 H CYS 13 28.561 26.658 28.395
76 HA CYS 13 HA CYS 13 30.240 28.013 26.369
77 HB2 CYS 13 HB2 CYS 13 27.204 27.836 26.269
78 HB3 CYS 13 HB3 CYS 13 28.120 29.050 25.403
79 H ARG 14 H ARG 14 29.903 30.315 26.300
80 HA ARG 14 HA ARG 14 28.711 31.584 28.735
81 HB2 ARG 14 HB2 ARG 14 31.352 32.403 27.538
82 HB3 ARG 14 HB3 ARG 14 30.520 33.088 28.944
83 HG2 ARG 14 HG2 ARG 14 30.893 31.031 30.230
84 HG3 ARG 14 HG3 ARG 14 31.677 30.273 28.838
85 HD2 ARG 14 HD2 ARG 14 33.383 31.022 30.326
86 HD3 ARG 14 HD3 ARG 14 33.455 32.006 28.873
87 HE ARG 14 HE ARG 14 32.745 32.825 31.609
88 HH11 ARG 14 HH11 ARG 14 33.024 34.000 28.288
89 HH12 ARG 14 HH12 ARG 14 32.869 35.657 28.803
90 HH21 ARG 14 HH21 ARG 14 32.424 34.912 32.139
91 HH22 ARG 14 HH22 ARG 14 32.401 36.140 30.902
92 H GLY 15 H GLY 15 28.898 34.060 28.381
93 HA2 GLY 15 HA2 GLY 15 28.066 35.888 27.057
94 HA3 GLY 15 HA3 GLY 15 27.548 34.747 25.803
95 H LYS 16 H LYS 16 26.345 36.669 28.067
96 HA LYS 16 HA LYS 16 24.755 35.196 29.847
97 HB2 LYS 16 HB2 LYS 16 25.333 37.709 29.703
98 HB3 LYS 16 HB3 LYS 16 23.968 37.854 28.595
99 HG2 LYS 16 HG2 LYS 16 22.446 37.014 30.383
100 HG3 LYS 16 HG3 LYS 16 23.857 36.783 31.433
101 HD2 LYS 16 HD2 LYS 16 24.335 39.308 31.080
102 HD3 LYS 16 HD3 LYS 16 22.725 39.401 30.369
103 HE2 LYS 16 HE2 LYS 16 22.632 40.086 32.679
104 HE3 LYS 16 HE3 LYS 16 21.749 38.564 32.509
105 HZ1 LYS 16 HZ1 LYS 16 24.563 38.752 33.472
106 HZ2 LYS 16 HZ2 LYS 16 23.253 38.637 34.466
107 HZ3 LYS 16 HZ3 LYS 16 23.631 37.406 33.458
108 H VAL 17 H VAL 17 24.046 36.070 26.502
109 HA VAL 17 HA VAL 17 21.316 35.088 26.587
110 HB VAL 17 HB VAL 17 22.180 36.909 25.091
111 HG11 VAL 17 HG11 VAL 17 24.209 35.719 24.199
112 HG12 VAL 17 HG12 VAL 17 23.129 34.646 23.280
113 HG13 VAL 17 HG13 VAL 17 23.149 36.385 22.953
114 HG21 VAL 17 HG21 VAL 17 19.972 35.877 24.831
115 HG22 VAL 17 HG22 VAL 17 20.664 36.345 23.267
116 HG23 VAL 17 HG23 VAL 17 20.667 34.637 23.758
117 H SER 18 H SER 18 24.408 33.555 25.854
118 HA SER 18 HA SER 18 23.193 31.177 24.639
119 HB2 SER 18 HB2 SER 18 25.575 31.924 24.213
120 HB3 SER 18 HB3 SER 18 25.967 31.395 25.867
121 HG SER 18 HG SER 18 26.080 29.899 23.844
122 H GLN 19 H GLN 19 24.589 32.042 27.869
123 HA GLN 19 HA GLN 19 23.608 29.671 29.148
124 HB2 GLN 19 HB2 GLN 19 24.208 32.447 30.233
125 HB3 GLN 19 HB3 GLN 19 23.830 31.031 31.247
126 HG2 GLN 19 HG2 GLN 19 25.710 29.776 30.222
127 HG3 GLN 19 HG3 GLN 19 26.112 31.160 29.211
128 HE21 GLN 19 HE22 GLN 19 28.163 30.321 30.464
129 HE22 GLN 19 HE21 GLN 19 28.535 31.355 31.838
130 H ASP 20 H ASP 20 21.851 32.812 28.649
131 HA ASP 20 HA ASP 20 19.526 31.940 30.053
132 HB2 ASP 20 HB2 ASP 20 20.008 34.282 29.602
133 HB3 ASP 20 HB3 ASP 20 19.799 34.013 27.862
134 H TYR 21 H TYR 21 20.390 31.531 26.560
135 HA TYR 21 HA TYR 21 17.952 30.239 25.797
136 HB2 TYR 21 HB2 TYR 21 19.780 31.032 24.279
137 HB3 TYR 21 HB3 TYR 21 20.759 29.664 24.791
138 HD1 TYR 21 HD1 TYR 21 17.816 30.754 22.856
139 HD2 TYR 21 HD2 TYR 21 20.231 27.343 23.995
140 HE1 TYR 21 HE1 TYR 21 16.751 29.390 21.058
141 HE2 TYR 21 HE2 TYR 21 19.176 26.017 22.186
142 HH TYR 21 HH TYR 21 16.690 27.341 19.989
143 H CYS 22 H CYS 22 20.931 28.925 27.310
144 HA CYS 22 HA CYS 22 20.060 26.179 27.334
145 HB2 CYS 22 HB2 CYS 22 22.375 26.755 27.783
146 HB3 CYS 22 HB3 CYS 22 21.923 27.668 29.224
147 H LEU 23 H LEU 23 19.420 28.856 29.548
148 HA LEU 23 HA LEU 23 17.915 27.338 31.445
149 HB2 LEU 23 HB2 LEU 23 18.656 30.122 30.867
150 HB3 LEU 23 HB3 LEU 23 17.104 29.932 31.680
151 HG LEU 23 HG LEU 23 18.124 28.752 33.540
152 HD11 LEU 23 HD11 LEU 23 20.555 28.397 33.754
153 HD12 LEU 23 HD12 LEU 23 19.910 27.445 32.420
154 HD13 LEU 23 HD13 LEU 23 20.800 28.943 32.083
155 HD21 LEU 23 HD21 LEU 23 19.779 31.175 32.711
156 HD22 LEU 23 HD22 LEU 23 18.224 31.193 33.569
157 HD23 LEU 23 HD23 LEU 23 19.655 30.521 34.366
158 H LYS 24 H LYS 24 17.047 28.070 28.283
159 HA LYS 24 HA LYS 24 14.196 27.308 28.861
160 HB2 LYS 24 HB2 LYS 24 15.474 28.567 26.399
161 HB3 LYS 24 HB3 LYS 24 13.806 28.008 26.460
162 HG2 LYS 24 HG2 LYS 24 14.987 30.197 28.190
163 HG3 LYS 24 HG3 LYS 24 14.067 30.453 26.717
164 HD2 LYS 24 HD2 LYS 24 12.116 29.278 27.750
165 HD3 LYS 24 HD3 LYS 24 12.999 29.177 29.279
166 HE2 LYS 24 HE2 LYS 24 12.470 31.812 27.837
167 HE3 LYS 24 HE3 LYS 24 11.312 31.094 28.962
168 HZ1 LYS 24 HZ1 LYS 24 12.950 31.182 30.696
169 HZ2 LYS 24 HZ2 LYS 24 14.087 31.839 29.732
170 HZ3 LYS 24 HZ3 LYS 24 12.706 32.680 30.100
171 H HIS 25 H HIS 25 17.139 26.244 27.383
172 HA HIS 25 HA HIS 25 15.741 23.902 26.081
173 HB2 HIS 25 HB2 HIS 25 17.849 25.778 24.956
174 HB3 HIS 25 HB3 HIS 25 17.327 24.310 24.154
175 HD2 HIS 25 HD2 HIS 25 16.467 27.903 24.353
176 HE1 HIS 25 HE1 HIS 25 12.961 26.078 22.762
177 HE2 HIS 25 HE2 HIS 25 14.115 28.290 23.214
178 H CYS 26 H CYS 26 18.169 24.379 28.333
179 HA CYS 26 HA CYS 26 19.873 23.213 29.120
180 HB2 CYS 26 HB2 CYS 26 17.909 21.556 29.155
181 HB3 CYS 26 HB3 CYS 26 18.771 20.713 27.877
182 H LYS 27 H LYS 27 20.269 24.257 26.315
183 HA LYS 27 HA LYS 27 22.944 23.061 25.910
184 HB2 LYS 27 HB2 LYS 27 22.610 23.115 23.442
185 HB3 LYS 27 HB3 LYS 27 21.656 21.865 24.250
186 HG2 LYS 27 HG2 LYS 27 19.620 23.091 23.952
187 HG3 LYS 27 HG3 LYS 27 20.477 24.585 23.554
188 HD2 LYS 27 HD2 LYS 27 19.475 23.580 21.584
189 HD3 LYS 27 HD3 LYS 27 21.233 23.666 21.437
190 HE2 LYS 27 HE2 LYS 27 21.458 21.279 21.941
191 HE3 LYS 27 HE3 LYS 27 19.738 21.171 22.347
192 HZ1 LYS 27 HZ1 LYS 27 20.824 21.745 19.640
193 HZ2 LYS 27 HZ2 LYS 27 20.145 20.344 20.141
194 HZ3 LYS 27 HZ3 LYS 27 19.221 21.701 20.038
195 H CYS 28 H CYS 28 24.316 24.474 24.517
196 HA CYS 28 HA CYS 28 24.158 27.287 25.036
197 HB2 CYS 28 HB2 CYS 28 25.426 25.932 22.628
198 HB3 CYS 28 HB3 CYS 28 25.845 27.491 23.321
199 H ILE 29 H ILE 29 23.632 29.038 23.568
200 HA ILE 29 HA ILE 29 21.357 28.633 21.835
201 HB ILE 29 HB ILE 29 21.904 30.733 23.031
202 HG12 ILE 29 HG12 ILE 29 21.499 31.238 20.083
203 HG13 ILE 29 HG13 ILE 29 20.263 30.549 21.150
204 HG21 ILE 29 HG21 ILE 29 24.347 30.768 22.366
205 HG22 ILE 29 HG22 ILE 29 23.836 31.361 20.779
206 HG23 ILE 29 HG23 ILE 29 23.494 32.310 22.244
207 HD11 ILE 29 HD11 ILE 29 19.881 32.928 20.952
208 HD12 ILE 29 HD12 ILE 29 20.391 32.548 22.609
209 HD13 ILE 29 HD13 ILE 29 21.538 33.292 21.468
210 HA PRO 30 HA PRO 30 22.774 26.240 19.080
211 HB2 PRO 30 HB2 PRO 30 21.857 27.857 16.688
212 HB3 PRO 30 HB3 PRO 30 21.703 26.090 16.986
213 HG2 PRO 30 HG2 PRO 30 19.629 27.688 17.621
214 HG3 PRO 30 HG3 PRO 30 20.172 26.466 18.815
215 HD2 PRO 30 HD2 PRO 30 20.778 29.423 18.739
216 HD3 PRO 30 HD3 PRO 30 20.315 28.393 20.121
217 H ARG 31 H ARG 31 24.688 25.550 18.737
218 HA ARG 31 HA ARG 31 26.819 27.102 17.381
219 HB2 ARG 31 HB2 ARG 31 27.053 27.070 19.809
220 HB3 ARG 31 HB3 ARG 31 26.730 25.332 19.875
221 HG2 ARG 31 HG2 ARG 31 28.796 24.848 18.704
222 HG3 ARG 31 HG3 ARG 31 29.103 26.576 18.462
223 HD2 ARG 31 HD2 ARG 31 30.514 25.857 20.238
224 HD3 ARG 31 HD3 ARG 31 29.241 26.840 20.966
225 HE ARG 31 HE ARG 31 28.122 24.528 21.474
226 HH11 ARG 31 HH11 ARG 31 31.659 25.029 21.718
227 HH12 ARG 31 HH12 ARG 31 31.751 23.628 22.765
228 HH21 ARG 31 HH21 ARG 31 28.462 22.944 22.844
229 HH22 ARG 31 HH22 ARG 31 30.105 22.562 23.414
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 10.893 26.694 26.251
2 H2 GLY 1 H2 GLY 1 11.314 25.571 25.100
3 H3 GLY 1 H3 GLY 1 12.439 26.167 26.164
4 HA2 GLY 1 HA2 GLY 1 10.123 24.520 26.892
5 HA3 GLY 1 HA3 GLY 1 11.792 23.931 26.740
6 H SER 2 H SER 2 12.650 23.615 28.702
7 HA SER 2 HA SER 2 12.548 25.809 30.703
8 HB2 SER 2 HB2 SER 2 12.223 24.332 32.539
9 HB3 SER 2 HB3 SER 2 10.924 24.034 31.355
10 HG SER 2 HG SER 2 11.659 22.100 32.028
11 H GLY 3 H GLY 3 14.270 25.497 32.435
12 HA2 GLY 3 HA2 GLY 3 16.823 25.268 31.020
13 HA3 GLY 3 HA3 GLY 3 16.564 25.903 32.644
14 H CYS 4 H CYS 4 18.723 24.445 32.341
15 HA CYS 4 HA CYS 4 18.109 21.725 33.411
16 HB2 CYS 4 HB2 CYS 4 20.001 22.645 31.351
17 HB3 CYS 4 HB3 CYS 4 20.702 21.572 32.551
18 H MET 5 H MET 5 21.254 23.356 33.766
19 HA MET 5 HA MET 5 20.703 24.191 36.507
20 HB2 MET 5 HB2 MET 5 22.784 22.054 35.855
21 HB3 MET 5 HB3 MET 5 22.867 23.082 37.286
22 HG2 MET 5 HG2 MET 5 20.630 22.276 37.994
23 HG3 MET 5 HG3 MET 5 20.633 21.131 36.644
24 HE1 MET 5 HE1 MET 5 21.830 18.897 36.583
25 HE2 MET 5 HE2 MET 5 23.354 19.768 36.404
26 HE3 MET 5 HE3 MET 5 23.213 18.465 37.583
27 H LYS 6 H LYS 6 22.236 25.794 37.177
28 HA LYS 6 HA LYS 6 23.263 27.441 35.033
29 HB2 LYS 6 HB2 LYS 6 23.788 27.522 38.034
30 HB3 LYS 6 HB3 LYS 6 24.286 28.762 36.876
31 HG2 LYS 6 HG2 LYS 6 21.892 29.096 36.227
32 HG3 LYS 6 HG3 LYS 6 21.403 27.968 37.503
33 HD2 LYS 6 HD2 LYS 6 23.000 30.523 37.941
34 HD3 LYS 6 HD3 LYS 6 21.251 30.394 38.141
35 HE2 LYS 6 HE2 LYS 6 21.507 28.759 39.937
36 HE3 LYS 6 HE3 LYS 6 23.260 28.713 39.713
37 HZ1 LYS 6 HZ1 LYS 6 23.392 30.996 40.423
38 HZ2 LYS 6 HZ2 LYS 6 21.756 31.139 40.504
39 HZ3 LYS 6 HZ3 LYS 6 22.546 30.166 41.560
40 H GLU 7 H GLU 7 24.928 25.385 37.431
41 HA GLU 7 HA GLU 7 27.592 25.936 36.547
42 HB2 GLU 7 HB2 GLU 7 26.414 23.470 37.909
43 HB3 GLU 7 HB3 GLU 7 28.130 23.752 37.664
44 HG2 GLU 7 HG2 GLU 7 27.710 24.379 39.896
45 HG3 GLU 7 HG3 GLU 7 27.960 25.873 38.999
46 H TYR 8 H TYR 8 25.300 23.399 35.538
47 HA TYR 8 HA TYR 8 27.023 22.010 33.733
48 HB2 TYR 8 HB2 TYR 8 24.918 21.103 34.597
49 HB3 TYR 8 HB3 TYR 8 24.000 22.350 33.763
50 HD1 TYR 8 HD2 TYR 8 25.951 19.260 33.373
51 HD2 TYR 8 HD1 TYR 8 23.694 22.295 31.307
52 HE1 TYR 8 HE2 TYR 8 25.744 17.757 31.389
53 HE2 TYR 8 HE1 TYR 8 23.546 20.833 29.302
54 HH TYR 8 HH TYR 8 24.906 17.498 29.294
55 H CYS 9 H CYS 9 24.614 24.607 33.134
56 HA CYS 9 HA CYS 9 25.123 24.846 30.332
57 HB2 CYS 9 HB2 CYS 9 23.863 26.645 32.423
58 HB3 CYS 9 HB3 CYS 9 23.988 27.122 30.732
59 H ALA 10 H ALA 10 26.541 26.674 33.121
60 HA ALA 10 HA ALA 10 28.119 28.439 31.539
61 HB1 ALA 10 HB1 ALA 10 29.356 28.779 33.649
62 HB2 ALA 10 HB2 ALA 10 27.602 28.776 33.928
63 HB3 ALA 10 HB3 ALA 10 28.574 27.347 34.352
64 H GLY 11 H GLY 11 28.761 25.071 32.566
65 HA2 GLY 11 HA2 GLY 11 31.510 24.992 31.749
66 HA3 GLY 11 HA3 GLY 11 30.429 23.606 31.924
67 H GLN 12 H GLN 12 28.552 24.827 29.817
68 HA GLN 12 HA GLN 12 30.178 24.085 27.421
69 HB2 GLN 12 HB2 GLN 12 28.382 22.950 26.465
70 HB3 GLN 12 HB3 GLN 12 28.720 22.279 28.059
71 HG2 GLN 12 HG2 GLN 12 26.751 23.076 28.975
72 HG3 GLN 12 HG3 GLN 12 26.597 24.395 27.829
73 HE21 GLN 12 HE22 GLN 12 25.773 21.014 28.375
74 HE22 GLN 12 HE21 GLN 12 24.819 20.891 26.897
75 H CYS 13 H CYS 13 28.652 26.766 28.656
76 HA CYS 13 HA CYS 13 28.482 28.010 25.983
77 HB2 CYS 13 HB2 CYS 13 26.258 26.797 26.969
78 HB3 CYS 13 HB3 CYS 13 26.100 28.357 27.761
79 H ARG 14 H ARG 14 28.733 30.234 25.988
80 HA ARG 14 HA ARG 14 29.091 31.676 28.597
81 HB2 ARG 14 HB2 ARG 14 31.006 31.526 26.260
82 HB3 ARG 14 HB3 ARG 14 31.199 32.592 27.647
83 HG2 ARG 14 HG2 ARG 14 31.225 29.543 27.796
84 HG3 ARG 14 HG3 ARG 14 32.667 30.554 27.726
85 HD2 ARG 14 HD2 ARG 14 32.271 31.514 29.871
86 HD3 ARG 14 HD3 ARG 14 30.601 30.984 29.896
87 HE ARG 14 HE ARG 14 31.191 28.822 30.491
88 HH11 ARG 14 HH11 ARG 14 34.210 30.563 29.935
89 HH12 ARG 14 HH12 ARG 14 35.111 29.313 30.741
90 HH21 ARG 14 HH21 ARG 14 32.343 27.536 31.727
91 HH22 ARG 14 HH22 ARG 14 34.060 27.762 31.929
92 H GLY 15 H GLY 15 29.280 33.930 28.524
93 HA2 GLY 15 HA2 GLY 15 28.415 36.016 27.883
94 HA3 GLY 15 HA3 GLY 15 27.891 35.360 26.330
95 H LYS 16 H LYS 16 26.369 36.967 28.265
96 HA LYS 16 HA LYS 16 24.747 35.481 30.051
97 HB2 LYS 16 HB2 LYS 16 24.387 38.152 28.631
98 HB3 LYS 16 HB3 LYS 16 23.158 37.503 29.726
99 HG2 LYS 16 HG2 LYS 16 24.752 37.402 31.570
100 HG3 LYS 16 HG3 LYS 16 26.040 38.048 30.533
101 HD2 LYS 16 HD2 LYS 16 24.702 40.105 30.145
102 HD3 LYS 16 HD3 LYS 16 23.411 39.465 31.165
103 HE2 LYS 16 HE2 LYS 16 26.242 40.131 32.082
104 HE3 LYS 16 HE3 LYS 16 24.803 41.136 32.319
105 HZ1 LYS 16 HZ1 LYS 16 25.181 39.924 34.289
106 HZ2 LYS 16 HZ2 LYS 16 23.841 39.238 33.601
107 HZ3 LYS 16 HZ3 LYS 16 25.292 38.473 33.519
108 H VAL 17 H VAL 17 24.125 36.287 26.635
109 HA VAL 17 HA VAL 17 21.393 35.285 26.787
110 HB VAL 17 HB VAL 17 22.137 37.156 25.323
111 HG11 VAL 17 HG11 VAL 17 23.016 36.735 23.117
112 HG12 VAL 17 HG12 VAL 17 24.163 36.074 24.290
113 HG13 VAL 17 HG13 VAL 17 23.077 34.987 23.399
114 HG21 VAL 17 HG21 VAL 17 20.555 36.634 23.558
115 HG22 VAL 17 HG22 VAL 17 20.655 34.899 23.922
116 HG23 VAL 17 HG23 VAL 17 19.948 36.024 25.105
117 H SER 18 H SER 18 24.460 33.905 25.564
118 HA SER 18 HA SER 18 23.407 31.529 24.453
119 HB2 SER 18 HB2 SER 18 26.051 31.636 25.887
120 HB3 SER 18 HB3 SER 18 25.654 30.935 24.320
121 HG SER 18 HG SER 18 26.943 32.991 24.609
122 H GLN 19 H GLN 19 24.798 32.227 27.729
123 HA GLN 19 HA GLN 19 23.952 29.772 28.934
124 HB2 GLN 19 HB2 GLN 19 24.429 32.557 30.055
125 HB3 GLN 19 HB3 GLN 19 24.084 31.150 31.078
126 HG2 GLN 19 HG2 GLN 19 26.018 29.949 30.248
127 HG3 GLN 19 HG3 GLN 19 26.345 31.182 29.030
128 HE21 GLN 19 HE22 GLN 19 28.413 30.545 30.430
129 HE22 GLN 19 HE21 GLN 19 28.805 31.843 31.575
130 H ASP 20 H ASP 20 22.059 32.838 28.614
131 HA ASP 20 HA ASP 20 19.761 31.980 30.043
132 HB2 ASP 20 HB2 ASP 20 20.149 34.294 29.409
133 HB3 ASP 20 HB3 ASP 20 20.041 33.882 27.695
134 H TYR 21 H TYR 21 20.561 31.563 26.543
135 HA TYR 21 HA TYR 21 18.189 30.177 25.819
136 HB2 TYR 21 HB2 TYR 21 20.074 31.009 24.321
137 HB3 TYR 21 HB3 TYR 21 20.977 29.578 24.781
138 HD1 TYR 21 HD2 TYR 21 20.211 27.296 24.023
139 HD2 TYR 21 HD1 TYR 21 18.148 30.910 22.844
140 HE1 TYR 21 HE2 TYR 21 19.039 26.066 22.210
141 HE2 TYR 21 HE1 TYR 21 16.969 29.640 21.053
142 HH TYR 21 HH TYR 21 16.717 27.583 20.002
143 H CYS 22 H CYS 22 21.166 28.898 27.395
144 HA CYS 22 HA CYS 22 20.275 26.129 27.293
145 HB2 CYS 22 HB2 CYS 22 22.623 26.865 27.406
146 HB3 CYS 22 HB3 CYS 22 22.360 27.496 29.033
147 H LEU 23 H LEU 23 19.749 28.776 29.534
148 HA LEU 23 HA LEU 23 18.298 27.168 31.498
149 HB2 LEU 23 HB2 LEU 23 19.138 29.994 31.068
150 HB3 LEU 23 HB3 LEU 23 17.646 29.762 31.972
151 HG LEU 23 HG LEU 23 18.764 28.371 33.628
152 HD11 LEU 23 HD11 LEU 23 21.321 28.772 32.020
153 HD12 LEU 23 HD12 LEU 23 21.225 28.087 33.660
154 HD13 LEU 23 HD13 LEU 23 20.486 27.229 32.308
155 HD21 LEU 23 HD21 LEU 23 20.233 30.074 34.604
156 HD22 LEU 23 HD22 LEU 23 20.382 30.880 33.021
157 HD23 LEU 23 HD23 LEU 23 18.817 30.824 33.865
158 H LYS 24 H LYS 24 17.412 28.280 28.405
159 HA LYS 24 HA LYS 24 14.494 27.886 29.009
160 HB2 LYS 24 HB2 LYS 24 15.994 29.131 26.673
161 HB3 LYS 24 HB3 LYS 24 14.254 28.803 26.651
162 HG2 LYS 24 HG2 LYS 24 13.905 30.268 28.556
163 HG3 LYS 24 HG3 LYS 24 15.656 30.546 28.703
164 HD2 LYS 24 HD2 LYS 24 15.753 31.724 26.607
165 HD3 LYS 24 HD3 LYS 24 14.106 31.231 26.184
166 HE2 LYS 24 HE2 LYS 24 14.109 33.557 26.880
167 HE3 LYS 24 HE3 LYS 24 13.169 32.569 28.000
168 HZ1 LYS 24 HZ1 LYS 24 15.961 33.476 28.480
169 HZ2 LYS 24 HZ2 LYS 24 14.630 34.165 29.135
170 HZ3 LYS 24 HZ3 LYS 24 15.028 32.635 29.550
171 H HIS 25 H HIS 25 17.190 26.354 27.562
172 HA HIS 25 HA HIS 25 15.452 24.312 26.194
173 HB2 HIS 25 HB2 HIS 25 17.787 25.891 25.046
174 HB3 HIS 25 HB3 HIS 25 17.000 24.567 24.228
175 HD2 HIS 25 HD2 HIS 25 16.668 28.273 24.713
176 HE1 HIS 25 HE1 HIS 25 13.113 27.050 22.715
177 HE2 HIS 25 HE2 HIS 25 14.551 29.046 23.336
178 H CYS 26 H CYS 26 18.078 24.368 28.422
179 HA CYS 26 HA CYS 26 19.619 22.890 29.030
180 HB2 CYS 26 HB2 CYS 26 17.682 20.980 27.723
181 HB3 CYS 26 HB3 CYS 26 19.137 20.430 28.526
182 H LYS 27 H LYS 27 19.919 24.074 26.200
183 HA LYS 27 HA LYS 27 22.411 22.596 25.546
184 HB2 LYS 27 HB2 LYS 27 21.876 22.865 23.101
185 HB3 LYS 27 HB3 LYS 27 20.899 21.662 23.942
186 HG2 LYS 27 HG2 LYS 27 18.971 23.107 23.965
187 HG3 LYS 27 HG3 LYS 27 19.935 24.511 23.520
188 HD2 LYS 27 HD2 LYS 27 18.627 23.845 21.634
189 HD3 LYS 27 HD3 LYS 27 20.333 23.534 21.278
190 HE2 LYS 27 HE2 LYS 27 19.973 21.119 21.789
191 HE3 LYS 27 HE3 LYS 27 18.280 21.451 22.184
192 HZ1 LYS 27 HZ1 LYS 27 19.537 21.966 19.542
193 HZ2 LYS 27 HZ2 LYS 27 18.562 20.698 19.867
194 HZ3 LYS 27 HZ3 LYS 27 17.951 22.228 19.909
195 H CYS 28 H CYS 28 23.981 23.828 24.407
196 HA CYS 28 HA CYS 28 23.860 26.696 24.859
197 HB2 CYS 28 HB2 CYS 28 25.972 25.261 24.817
198 HB3 CYS 28 HB3 CYS 28 25.805 25.265 23.052
199 H ILE 29 H ILE 29 24.127 28.288 23.123
200 HA ILE 29 HA ILE 29 21.668 28.097 21.687
201 HB ILE 29 HB ILE 29 22.287 30.056 22.910
202 HG12 ILE 29 HG12 ILE 29 21.917 30.704 19.968
203 HG13 ILE 29 HG13 ILE 29 20.639 30.125 21.048
204 HG21 ILE 29 HG21 ILE 29 24.304 30.779 20.769
205 HG22 ILE 29 HG22 ILE 29 23.930 31.669 22.246
206 HG23 ILE 29 HG23 ILE 29 24.744 30.103 22.346
207 HD11 ILE 29 HD11 ILE 29 20.464 32.528 20.817
208 HD12 ILE 29 HD12 ILE 29 20.957 32.151 22.476
209 HD13 ILE 29 HD13 ILE 29 22.151 32.758 21.308
210 HA PRO 30 HA PRO 30 23.487 26.991 17.714
211 HB2 PRO 30 HB2 PRO 30 21.219 26.570 16.272
212 HB3 PRO 30 HB3 PRO 30 21.783 25.438 17.547
213 HG2 PRO 30 HG2 PRO 30 19.654 27.589 17.761
214 HG3 PRO 30 HG3 PRO 30 19.592 25.899 18.348
215 HD2 PRO 30 HD2 PRO 30 20.249 28.051 19.939
216 HD3 PRO 30 HD3 PRO 30 20.883 26.406 20.225
217 H ARG 31 H ARG 31 24.425 28.520 16.563
218 HA ARG 31 HA ARG 31 22.799 30.652 15.246
219 HB2 ARG 31 HB2 ARG 31 25.622 31.013 16.310
220 HB3 ARG 31 HB3 ARG 31 24.725 32.157 15.298
221 HG2 ARG 31 HG2 ARG 31 22.953 32.232 17.150
222 HG3 ARG 31 HG3 ARG 31 24.112 31.353 18.167
223 HD2 ARG 31 HD2 ARG 31 25.801 33.193 17.594
224 HD3 ARG 31 HD3 ARG 31 24.484 34.087 16.847
225 HE ARG 31 HE ARG 31 24.957 33.630 19.721
226 HH11 ARG 31 HH12 ARG 31 22.648 35.038 17.395
227 HH12 ARG 31 HH11 ARG 31 21.810 35.831 18.693
228 HH21 ARG 31 HH21 ARG 31 23.876 34.749 21.179
229 HH22 ARG 31 HH22 ARG 31 22.445 35.688 20.701
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 9.541 26.590 35.663
2 H2 GLY 1 H2 GLY 1 10.215 25.543 36.735
3 H3 GLY 1 H3 GLY 1 9.116 24.996 35.638
4 HA2 GLY 1 HA2 GLY 1 11.356 24.356 35.036
5 HA3 GLY 1 HA3 GLY 1 10.591 25.402 33.827
6 H SER 2 H SER 2 13.789 27.097 34.211
7 HA SER 2 HA SER 2 12.586 24.693 32.899
8 HB2 SER 2 HB2 SER 2 13.041 27.355 31.498
9 HB3 SER 2 HB3 SER 2 12.430 25.860 30.759
10 HG SER 2 HG SER 2 11.021 27.742 31.838
11 H GLY 3 H GLY 3 15.296 25.776 34.161
12 HA2 GLY 3 HA2 GLY 3 17.182 25.154 31.966
13 HA3 GLY 3 HA3 GLY 3 17.589 25.788 33.555
14 H CYS 4 H CYS 4 18.932 23.706 32.326
15 HA CYS 4 HA CYS 4 17.992 21.120 33.396
16 HB2 CYS 4 HB2 CYS 4 19.592 22.114 31.193
17 HB3 CYS 4 HB3 CYS 4 20.538 20.961 32.084
18 H MET 5 H MET 5 20.978 23.035 33.529
19 HA MET 5 HA MET 5 21.121 23.112 36.358
20 HB2 MET 5 HB2 MET 5 23.107 21.360 34.856
21 HB3 MET 5 HB3 MET 5 23.638 22.308 36.256
22 HG2 MET 5 HG2 MET 5 21.792 21.203 37.559
23 HG3 MET 5 HG3 MET 5 21.594 20.080 36.214
24 HE1 MET 5 HE1 MET 5 23.033 18.054 35.707
25 HE2 MET 5 HE2 MET 5 24.257 19.181 35.081
26 HE3 MET 5 HE3 MET 5 24.732 17.877 36.191
27 H LYS 6 H LYS 6 21.947 25.040 36.830
28 HA LYS 6 HA LYS 6 22.812 26.929 34.837
29 HB2 LYS 6 HB2 LYS 6 23.136 26.972 37.866
30 HB3 LYS 6 HB3 LYS 6 23.335 28.366 36.798
31 HG2 LYS 6 HG2 LYS 6 20.966 28.204 36.102
32 HG3 LYS 6 HG3 LYS 6 20.733 26.796 37.133
33 HD2 LYS 6 HD2 LYS 6 21.368 29.624 38.043
34 HD3 LYS 6 HD3 LYS 6 19.827 28.781 38.193
35 HE2 LYS 6 HE2 LYS 6 22.429 28.131 39.641
36 HE3 LYS 6 HE3 LYS 6 20.955 28.810 40.333
37 HZ1 LYS 6 HZ1 LYS 6 21.242 26.065 39.238
38 HZ2 LYS 6 HZ2 LYS 6 21.080 26.469 40.794
39 HZ3 LYS 6 HZ3 LYS 6 19.819 26.687 39.747
40 H GLU 7 H GLU 7 24.636 25.019 37.238
41 HA GLU 7 HA GLU 7 27.205 26.147 36.649
42 HB2 GLU 7 HB2 GLU 7 26.513 23.371 37.745
43 HB3 GLU 7 HB3 GLU 7 28.103 24.098 37.727
44 HG2 GLU 7 HG2 GLU 7 27.386 24.390 39.906
45 HG3 GLU 7 HG3 GLU 7 27.208 25.980 39.173
46 H TYR 8 H TYR 8 25.568 23.295 35.361
47 HA TYR 8 HA TYR 8 27.608 22.174 33.749
48 HB2 TYR 8 HB2 TYR 8 25.501 21.085 34.439
49 HB3 TYR 8 HB3 TYR 8 24.583 22.242 33.489
50 HD1 TYR 8 HD2 TYR 8 27.368 19.757 32.922
51 HD2 TYR 8 HD1 TYR 8 23.659 21.464 31.518
52 HE1 TYR 8 HE2 TYR 8 27.327 18.142 31.024
53 HE2 TYR 8 HE1 TYR 8 23.601 19.837 29.647
54 HH TYR 8 HH TYR 8 24.736 18.159 28.565
55 H CYS 9 H CYS 9 25.123 24.625 32.984
56 HA CYS 9 HA CYS 9 26.042 24.960 30.227
57 HB2 CYS 9 HB2 CYS 9 23.739 25.394 30.775
58 HB3 CYS 9 HB3 CYS 9 24.190 26.590 31.999
59 H ALA 10 H ALA 10 26.328 27.071 33.190
60 HA ALA 10 HA ALA 10 27.794 29.058 31.831
61 HB1 ALA 10 HB1 ALA 10 26.561 29.394 33.946
62 HB2 ALA 10 HB2 ALA 10 27.742 28.380 34.806
63 HB3 ALA 10 HB3 ALA 10 28.248 29.927 34.094
64 H GLY 11 H GLY 11 29.028 26.129 33.439
65 HA2 GLY 11 HA2 GLY 11 31.809 26.918 33.357
66 HA3 GLY 11 HA3 GLY 11 31.167 25.290 33.608
67 H GLN 12 H GLN 12 29.694 25.704 30.847
68 HA GLN 12 HA GLN 12 32.045 24.829 29.187
69 HB2 GLN 12 HB2 GLN 12 29.115 24.010 29.056
70 HB3 GLN 12 HB3 GLN 12 30.385 23.439 27.983
71 HG2 GLN 12 HG2 GLN 12 30.250 22.958 30.997
72 HG3 GLN 12 HG3 GLN 12 29.857 21.789 29.746
73 HE21 GLN 12 HE22 GLN 12 31.932 21.664 31.893
74 HE22 GLN 12 HE21 GLN 12 33.420 21.322 31.002
75 H CYS 13 H CYS 13 29.151 26.877 29.200
76 HA CYS 13 HA CYS 13 29.842 27.916 26.495
77 HB2 CYS 13 HB2 CYS 13 27.123 27.293 27.675
78 HB3 CYS 13 HB3 CYS 13 27.410 28.038 26.099
79 H ARG 14 H ARG 14 29.761 30.073 26.206
80 HA ARG 14 HA ARG 14 29.080 31.802 28.560
81 HB2 ARG 14 HB2 ARG 14 31.583 32.036 26.893
82 HB3 ARG 14 HB3 ARG 14 31.117 32.958 28.334
83 HG2 ARG 14 HG2 ARG 14 31.193 30.813 29.661
84 HG3 ARG 14 HG3 ARG 14 31.887 30.001 28.254
85 HD2 ARG 14 HD2 ARG 14 33.115 32.408 29.666
86 HD3 ARG 14 HD3 ARG 14 33.551 30.739 29.991
87 HE ARG 14 HE ARG 14 34.325 32.361 27.653
88 HH11 ARG 14 HH11 ARG 14 34.373 29.046 28.944
89 HH12 ARG 14 HH12 ARG 14 35.704 28.635 27.887
90 HH21 ARG 14 HH21 ARG 14 35.980 31.766 26.527
91 HH22 ARG 14 HH22 ARG 14 36.678 30.153 26.665
92 H GLY 15 H GLY 15 29.324 34.115 28.099
93 HA2 GLY 15 HA2 GLY 15 28.463 35.978 26.931
94 HA3 GLY 15 HA3 GLY 15 27.892 34.937 25.620
95 H LYS 16 H LYS 16 26.618 36.902 27.643
96 HA LYS 16 HA LYS 16 24.922 35.619 29.503
97 HB2 LYS 16 HB2 LYS 16 25.475 38.078 29.273
98 HB3 LYS 16 HB3 LYS 16 24.340 38.158 27.923
99 HG2 LYS 16 HG2 LYS 16 22.502 37.431 29.504
100 HG3 LYS 16 HG3 LYS 16 23.692 37.458 30.827
101 HD2 LYS 16 HD2 LYS 16 24.125 39.879 30.305
102 HD3 LYS 16 HD3 LYS 16 22.845 39.803 29.074
103 HE2 LYS 16 HE2 LYS 16 21.217 39.170 30.863
104 HE3 LYS 16 HE3 LYS 16 22.500 39.377 32.068
105 HZ1 LYS 16 HZ1 LYS 16 21.412 41.495 30.277
106 HZ2 LYS 16 HZ2 LYS 16 21.172 41.401 31.881
107 HZ3 LYS 16 HZ3 LYS 16 22.667 41.739 31.294
108 H VAL 17 H VAL 17 24.470 36.000 26.020
109 HA VAL 17 HA VAL 17 21.670 35.215 26.081
110 HB VAL 17 HB VAL 17 22.713 36.684 24.353
111 HG11 VAL 17 HG11 VAL 17 23.822 35.803 22.446
112 HG12 VAL 17 HG12 VAL 17 24.729 35.218 23.847
113 HG13 VAL 17 HG13 VAL 17 23.628 34.128 22.982
114 HG21 VAL 17 HG21 VAL 17 21.117 34.261 23.459
115 HG22 VAL 17 HG22 VAL 17 20.499 35.809 24.039
116 HG23 VAL 17 HG23 VAL 17 21.355 35.722 22.486
117 H SER 18 H SER 18 24.719 33.389 25.515
118 HA SER 18 HA SER 18 23.284 30.935 24.822
119 HB2 SER 18 HB2 SER 18 25.720 31.475 24.240
120 HB3 SER 18 HB3 SER 18 26.118 31.086 25.923
121 HG SER 18 HG SER 18 26.116 29.376 24.145
122 H GLN 19 H GLN 19 24.942 32.191 27.798
123 HA GLN 19 HA GLN 19 23.889 30.264 29.592
124 HB2 GLN 19 HB2 GLN 19 24.842 33.121 29.916
125 HB3 GLN 19 HB3 GLN 19 24.309 32.130 31.274
126 HG2 GLN 19 HG2 GLN 19 25.963 30.371 30.684
127 HG3 GLN 19 HG3 GLN 19 26.486 31.320 29.292
128 HE21 GLN 19 HE22 GLN 19 28.583 30.849 30.466
129 HE22 GLN 19 HE21 GLN 19 29.100 32.153 31.549
130 H ASP 20 H ASP 20 22.007 32.698 28.063
131 HA ASP 20 HA ASP 20 19.745 32.368 29.973
132 HB2 ASP 20 HB2 ASP 20 19.958 34.547 29.203
133 HB3 ASP 20 HB3 ASP 20 20.212 34.055 27.524
134 H TYR 21 H TYR 21 20.484 31.657 26.515
135 HA TYR 21 HA TYR 21 18.081 30.340 25.891
136 HB2 TYR 21 HB2 TYR 21 20.061 31.050 24.403
137 HB3 TYR 21 HB3 TYR 21 20.802 29.506 24.817
138 HD1 TYR 21 HD2 TYR 21 19.557 27.354 24.145
139 HD2 TYR 21 HD1 TYR 21 18.373 31.251 22.784
140 HE1 TYR 21 HE2 TYR 21 18.133 26.308 22.392
141 HE2 TYR 21 HE1 TYR 21 17.011 30.213 20.991
142 HH TYR 21 HH TYR 21 16.559 26.676 20.783
143 H CYS 22 H CYS 22 21.029 28.973 27.455
144 HA CYS 22 HA CYS 22 20.055 26.246 27.400
145 HB2 CYS 22 HB2 CYS 22 21.884 25.776 28.902
146 HB3 CYS 22 HB3 CYS 22 22.421 26.847 27.603
147 H LEU 23 H LEU 23 19.483 28.944 29.580
148 HA LEU 23 HA LEU 23 18.214 27.297 31.656
149 HB2 LEU 23 HB2 LEU 23 19.022 30.113 31.177
150 HB3 LEU 23 HB3 LEU 23 17.531 29.923 32.097
151 HG LEU 23 HG LEU 23 18.625 28.588 33.792
152 HD11 LEU 23 HD11 LEU 23 21.193 28.878 32.172
153 HD12 LEU 23 HD12 LEU 23 21.066 28.209 33.811
154 HD13 LEU 23 HD13 LEU 23 20.318 27.353 32.476
155 HD21 LEU 23 HD21 LEU 23 20.185 30.296 34.663
156 HD22 LEU 23 HD22 LEU 23 20.268 31.045 33.047
157 HD23 LEU 23 HD23 LEU 23 18.741 31.049 33.957
158 H LYS 24 H LYS 24 17.201 28.335 28.628
159 HA LYS 24 HA LYS 24 14.286 28.002 29.265
160 HB2 LYS 24 HB2 LYS 24 15.813 29.258 26.964
161 HB3 LYS 24 HB3 LYS 24 14.068 28.968 26.911
162 HG2 LYS 24 HG2 LYS 24 13.644 30.509 28.665
163 HG3 LYS 24 HG3 LYS 24 15.341 30.548 29.157
164 HD2 LYS 24 HD2 LYS 24 15.996 31.705 27.152
165 HD3 LYS 24 HD3 LYS 24 14.360 31.575 26.471
166 HE2 LYS 24 HE2 LYS 24 13.461 33.035 28.207
167 HE3 LYS 24 HE3 LYS 24 15.018 33.073 29.044
168 HZ1 LYS 24 HZ1 LYS 24 14.678 34.096 26.275
169 HZ2 LYS 24 HZ2 LYS 24 14.592 35.061 27.581
170 HZ3 LYS 24 HZ3 LYS 24 15.990 34.247 27.249
171 H HIS 25 H HIS 25 16.972 26.487 27.760
172 HA HIS 25 HA HIS 25 15.254 24.416 26.411
173 HB2 HIS 25 HB2 HIS 25 17.508 26.038 25.205
174 HB3 HIS 25 HB3 HIS 25 16.803 24.622 24.450
175 HD2 HIS 25 HD2 HIS 25 16.070 28.308 25.013
176 HE1 HIS 25 HE1 HIS 25 12.645 26.694 23.053
177 HE2 HIS 25 HE2 HIS 25 13.739 28.831 23.893
178 H CYS 26 H CYS 26 17.915 24.474 28.599
179 HA CYS 26 HA CYS 26 19.476 22.996 29.168
180 HB2 CYS 26 HB2 CYS 26 17.513 21.373 28.907
181 HB3 CYS 26 HB3 CYS 26 18.239 20.914 27.370
182 H LYS 27 H LYS 27 19.399 24.192 26.090
183 HA LYS 27 HA LYS 27 21.882 22.803 25.140
184 HB2 LYS 27 HB2 LYS 27 19.917 24.448 23.542
185 HB3 LYS 27 HB3 LYS 27 21.203 23.444 22.901
186 HG2 LYS 27 HG2 LYS 27 20.024 21.414 23.358
187 HG3 LYS 27 HG3 LYS 27 18.868 22.219 24.419
188 HD2 LYS 27 HD2 LYS 27 18.173 23.649 22.404
189 HD3 LYS 27 HD3 LYS 27 19.116 22.513 21.422
190 HE2 LYS 27 HE2 LYS 27 17.671 20.665 22.157
191 HE3 LYS 27 HE3 LYS 27 16.811 21.741 23.276
192 HZ1 LYS 27 HZ1 LYS 27 16.039 23.026 21.367
193 HZ2 LYS 27 HZ2 LYS 27 16.897 22.104 20.336
194 HZ3 LYS 27 HZ3 LYS 27 15.627 21.428 21.150
195 H CYS 28 H CYS 28 23.597 24.004 24.387
196 HA CYS 28 HA CYS 28 23.714 26.886 25.005
197 HB2 CYS 28 HB2 CYS 28 25.735 25.184 23.528
198 HB3 CYS 28 HB3 CYS 28 25.962 26.809 24.180
199 H ILE 29 H ILE 29 23.854 28.552 23.450
200 HA ILE 29 HA ILE 29 21.626 28.232 21.820
201 HB ILE 29 HB ILE 29 22.164 30.232 23.023
202 HG12 ILE 29 HG12 ILE 29 21.804 30.796 20.059
203 HG13 ILE 29 HG13 ILE 29 20.551 30.195 21.154
204 HG21 ILE 29 HG21 ILE 29 24.116 31.050 20.854
205 HG22 ILE 29 HG22 ILE 29 23.761 31.856 22.397
206 HG23 ILE 29 HG23 ILE 29 24.640 30.326 22.378
207 HD11 ILE 29 HD11 ILE 29 20.787 32.244 22.531
208 HD12 ILE 29 HD12 ILE 29 21.946 32.892 21.339
209 HD13 ILE 29 HD13 ILE 29 20.268 32.574 20.869
210 HA PRO 30 HA PRO 30 23.521 27.569 17.739
211 HB2 PRO 30 HB2 PRO 30 21.365 26.699 16.383
212 HB3 PRO 30 HB3 PRO 30 22.164 25.698 17.630
213 HG2 PRO 30 HG2 PRO 30 19.646 27.340 17.867
214 HG3 PRO 30 HG3 PRO 30 19.964 25.700 18.505
215 HD2 PRO 30 HD2 PRO 30 20.173 28.086 19.969
216 HD3 PRO 30 HD3 PRO 30 21.003 26.558 20.386
217 H ARG 31 H ARG 31 23.906 29.006 16.173
218 HA ARG 31 HA ARG 31 22.028 30.902 15.042
219 HB2 ARG 31 HB2 ARG 31 23.376 32.927 15.794
220 HB3 ARG 31 HB3 ARG 31 22.301 32.201 16.978
221 HG2 ARG 31 HG2 ARG 31 24.197 31.049 18.058
222 HG3 ARG 31 HG3 ARG 31 25.319 31.768 16.881
223 HD2 ARG 31 HD2 ARG 31 24.730 34.011 17.703
224 HD3 ARG 31 HD3 ARG 31 23.531 33.298 18.809
225 HE ARG 31 HE ARG 31 25.969 32.046 19.394
226 HH11 ARG 31 HH11 ARG 31 24.730 35.336 19.620
227 HH12 ARG 31 HH12 ARG 31 25.880 35.710 20.928
228 HH21 ARG 31 HH21 ARG 31 27.333 32.663 21.055
229 HH22 ARG 31 HH22 ARG 31 27.253 34.331 21.632
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 11.325 25.975 25.974
2 H2 GLY 1 H2 GLY 1 11.812 24.774 24.959
3 H3 GLY 1 H3 GLY 1 12.821 25.268 26.165
4 HA2 GLY 1 HA2 GLY 1 10.199 23.968 26.563
5 HA3 GLY 1 HA3 GLY 1 11.754 23.125 26.634
6 H SER 2 H SER 2 12.822 23.053 28.554
7 HA SER 2 HA SER 2 12.549 25.243 30.488
8 HB2 SER 2 HB2 SER 2 12.090 23.840 32.417
9 HB3 SER 2 HB3 SER 2 10.774 23.769 31.246
10 HG SER 2 HG SER 2 10.988 21.742 31.426
11 H GLY 3 H GLY 3 14.140 25.180 32.209
12 HA2 GLY 3 HA2 GLY 3 16.695 24.787 30.963
13 HA3 GLY 3 HA3 GLY 3 16.394 25.498 32.536
14 H CYS 4 H CYS 4 18.573 23.889 31.855
15 HA CYS 4 HA CYS 4 18.124 21.275 33.192
16 HB2 CYS 4 HB2 CYS 4 19.968 22.211 31.084
17 HB3 CYS 4 HB3 CYS 4 20.654 21.112 32.275
18 H MET 5 H MET 5 21.174 23.126 33.374
19 HA MET 5 HA MET 5 20.711 23.819 36.186
20 HB2 MET 5 HB2 MET 5 22.852 21.803 35.372
21 HB3 MET 5 HB3 MET 5 22.967 22.798 36.830
22 HG2 MET 5 HG2 MET 5 20.740 21.900 37.558
23 HG3 MET 5 HG3 MET 5 20.824 20.741 36.233
24 HE1 MET 5 HE1 MET 5 23.778 19.668 36.100
25 HE2 MET 5 HE2 MET 5 23.647 18.329 37.265
26 HE3 MET 5 HE3 MET 5 22.310 18.661 36.160
27 H LYS 6 H LYS 6 21.762 25.612 36.736
28 HA LYS 6 HA LYS 6 22.934 27.359 34.863
29 HB2 LYS 6 HB2 LYS 6 21.895 27.785 37.183
30 HB3 LYS 6 HB3 LYS 6 23.465 27.349 37.861
31 HG2 LYS 6 HG2 LYS 6 24.454 29.231 36.407
32 HG3 LYS 6 HG3 LYS 6 22.777 29.681 36.012
33 HD2 LYS 6 HD2 LYS 6 22.392 29.770 38.574
34 HD3 LYS 6 HD3 LYS 6 24.133 29.598 38.741
35 HE2 LYS 6 HE2 LYS 6 23.809 31.884 38.909
36 HE3 LYS 6 HE3 LYS 6 24.354 31.684 37.239
37 HZ1 LYS 6 HZ1 LYS 6 22.411 33.176 37.640
38 HZ2 LYS 6 HZ2 LYS 6 22.081 32.035 36.503
39 HZ3 LYS 6 HZ3 LYS 6 21.488 31.870 38.029
40 H GLU 7 H GLU 7 24.589 25.164 37.155
41 HA GLU 7 HA GLU 7 27.263 25.875 36.475
42 HB2 GLU 7 HB2 GLU 7 26.132 23.229 37.513
43 HB3 GLU 7 HB3 GLU 7 27.834 23.665 37.429
44 HG2 GLU 7 HG2 GLU 7 27.460 24.185 39.588
45 HG3 GLU 7 HG3 GLU 7 27.150 25.756 38.860
46 H TYR 8 H TYR 8 25.066 23.511 34.908
47 HA TYR 8 HA TYR 8 27.155 22.475 33.137
48 HB2 TYR 8 HB2 TYR 8 25.085 21.207 33.742
49 HB3 TYR 8 HB3 TYR 8 24.128 22.365 32.828
50 HD1 TYR 8 HD2 TYR 8 27.000 19.975 32.513
51 HD2 TYR 8 HD1 TYR 8 23.827 22.044 30.455
52 HE1 TYR 8 HE2 TYR 8 27.470 18.647 30.459
53 HE2 TYR 8 HE1 TYR 8 24.305 20.718 28.401
54 HH TYR 8 HH TYR 8 26.877 18.207 28.309
55 H CYS 9 H CYS 9 24.536 24.891 32.860
56 HA CYS 9 HA CYS 9 25.076 25.681 30.186
57 HB2 CYS 9 HB2 CYS 9 23.873 27.256 32.491
58 HB3 CYS 9 HB3 CYS 9 23.762 27.687 30.791
59 H ALA 10 H ALA 10 26.472 26.989 33.253
60 HA ALA 10 HA ALA 10 28.231 28.854 31.884
61 HB1 ALA 10 HB1 ALA 10 28.346 27.647 34.686
62 HB2 ALA 10 HB2 ALA 10 29.293 29.034 34.103
63 HB3 ALA 10 HB3 ALA 10 27.534 29.163 34.229
64 H GLY 11 H GLY 11 28.485 25.422 32.780
65 HA2 GLY 11 HA2 GLY 11 31.268 25.063 32.351
66 HA3 GLY 11 HA3 GLY 11 30.014 23.823 32.213
67 H GLN 12 H GLN 12 28.502 24.681 30.101
68 HA GLN 12 HA GLN 12 30.302 24.085 27.835
69 HB2 GLN 12 HB2 GLN 12 27.269 24.103 28.127
70 HB3 GLN 12 HB3 GLN 12 28.149 23.545 26.711
71 HG2 GLN 12 HG2 GLN 12 28.180 22.270 29.475
72 HG3 GLN 12 HG3 GLN 12 27.384 21.670 28.024
73 HE21 GLN 12 HE22 GLN 12 29.119 21.562 26.019
74 HE22 GLN 12 HE21 GLN 12 30.523 20.619 26.495
75 H CYS 13 H CYS 13 27.882 26.633 28.651
76 HA CYS 13 HA CYS 13 28.174 27.719 25.919
77 HB2 CYS 13 HB2 CYS 13 26.163 28.640 27.939
78 HB3 CYS 13 HB3 CYS 13 26.086 28.685 26.181
79 H ARG 14 H ARG 14 28.503 29.995 25.507
80 HA ARG 14 HA ARG 14 29.449 31.654 27.817
81 HB2 ARG 14 HB2 ARG 14 30.826 31.179 25.155
82 HB3 ARG 14 HB3 ARG 14 31.203 32.496 26.264
83 HG2 ARG 14 HG2 ARG 14 32.818 31.070 26.872
84 HG3 ARG 14 HG3 ARG 14 31.582 30.639 28.044
85 HD2 ARG 14 HD2 ARG 14 31.040 28.629 26.571
86 HD3 ARG 14 HD3 ARG 14 32.358 29.129 25.512
87 HE ARG 14 HE ARG 14 33.870 28.202 26.976
88 HH11 ARG 14 HH21 ARG 14 30.875 28.623 28.802
89 HH12 ARG 14 HH22 ARG 14 31.532 27.890 30.225
90 HH21 ARG 14 HH11 ARG 14 34.724 27.556 28.946
91 HH22 ARG 14 HH12 ARG 14 33.651 27.322 30.302
92 H GLY 15 H GLY 15 29.257 33.758 27.742
93 HA2 GLY 15 HA2 GLY 15 28.392 35.835 26.962
94 HA3 GLY 15 HA3 GLY 15 27.557 35.011 25.643
95 H LYS 16 H LYS 16 26.643 36.766 27.923
96 HA LYS 16 HA LYS 16 25.289 35.265 29.920
97 HB2 LYS 16 HB2 LYS 16 25.766 38.013 29.294
98 HB3 LYS 16 HB3 LYS 16 24.021 37.862 29.390
99 HG2 LYS 16 HG2 LYS 16 26.023 37.048 31.540
100 HG3 LYS 16 HG3 LYS 16 25.040 38.515 31.524
101 HD2 LYS 16 HD2 LYS 16 22.976 37.091 31.573
102 HD3 LYS 16 HD3 LYS 16 23.993 35.659 31.786
103 HE2 LYS 16 HE2 LYS 16 23.814 38.063 33.663
104 HE3 LYS 16 HE3 LYS 16 23.080 36.480 33.916
105 HZ1 LYS 16 HZ1 LYS 16 25.964 37.142 33.971
106 HZ2 LYS 16 HZ2 LYS 16 25.064 36.517 35.145
107 HZ3 LYS 16 HZ3 LYS 16 25.425 35.568 33.862
108 H VAL 17 H VAL 17 24.297 35.922 26.656
109 HA VAL 17 HA VAL 17 21.454 35.252 27.152
110 HB VAL 17 HB VAL 17 22.880 35.709 24.511
111 HG11 VAL 17 HG11 VAL 17 20.587 36.250 23.704
112 HG12 VAL 17 HG12 VAL 17 20.708 34.573 24.241
113 HG13 VAL 17 HG13 VAL 17 19.929 35.782 25.286
114 HG21 VAL 17 HG21 VAL 17 21.417 37.650 26.340
115 HG22 VAL 17 HG22 VAL 17 23.128 37.711 25.865
116 HG23 VAL 17 HG23 VAL 17 21.878 38.001 24.653
117 H SER 18 H SER 18 24.357 33.738 25.622
118 HA SER 18 HA SER 18 23.151 31.351 24.741
119 HB2 SER 18 HB2 SER 18 25.962 31.591 25.848
120 HB3 SER 18 HB3 SER 18 25.393 30.642 24.477
121 HG SER 18 HG SER 18 26.588 32.803 24.295
122 H GLN 19 H GLN 19 25.001 32.042 27.785
123 HA GLN 19 HA GLN 19 24.354 29.614 29.128
124 HB2 GLN 19 HB2 GLN 19 24.900 32.424 30.168
125 HB3 GLN 19 HB3 GLN 19 24.809 30.983 31.198
126 HG2 GLN 19 HG2 GLN 19 26.626 29.912 29.952
127 HG3 GLN 19 HG3 GLN 19 26.738 31.279 28.848
128 HE21 GLN 19 HE22 GLN 19 29.018 30.588 29.938
129 HE22 GLN 19 HE21 GLN 19 29.474 31.801 31.143
130 H ASP 20 H ASP 20 22.270 32.468 28.710
131 HA ASP 20 HA ASP 20 20.238 31.491 30.582
132 HB2 ASP 20 HB2 ASP 20 20.586 33.851 30.328
133 HB3 ASP 20 HB3 ASP 20 20.343 33.763 28.585
134 H TYR 21 H TYR 21 20.645 31.429 26.998
135 HA TYR 21 HA TYR 21 18.137 30.261 26.346
136 HB2 TYR 21 HB2 TYR 21 19.772 31.168 24.741
137 HB3 TYR 21 HB3 TYR 21 20.880 29.859 25.101
138 HD1 TYR 21 HD1 TYR 21 20.487 27.569 24.250
139 HD2 TYR 21 HD2 TYR 21 17.801 30.814 23.290
140 HE1 TYR 21 HE1 TYR 21 19.579 26.272 22.353
141 HE2 TYR 21 HE2 TYR 21 16.873 29.472 21.404
142 HH TYR 21 HH TYR 21 16.977 27.436 20.227
143 H CYS 22 H CYS 22 21.077 28.785 27.671
144 HA CYS 22 HA CYS 22 20.153 26.024 27.428
145 HB2 CYS 22 HB2 CYS 22 22.463 26.513 27.501
146 HB3 CYS 22 HB3 CYS 22 22.323 27.454 28.976
147 H LEU 23 H LEU 23 19.558 28.546 29.766
148 HA LEU 23 HA LEU 23 18.174 26.853 31.715
149 HB2 LEU 23 HB2 LEU 23 19.115 29.621 31.411
150 HB3 LEU 23 HB3 LEU 23 17.472 29.569 32.015
151 HG LEU 23 HG LEU 23 18.152 28.164 33.905
152 HD11 LEU 23 HD11 LEU 23 20.043 26.891 32.964
153 HD12 LEU 23 HD12 LEU 23 20.970 28.393 32.739
154 HD13 LEU 23 HD13 LEU 23 20.578 27.806 34.372
155 HD21 LEU 23 HD21 LEU 23 19.578 29.895 34.989
156 HD22 LEU 23 HD22 LEU 23 19.875 30.603 33.377
157 HD23 LEU 23 HD23 LEU 23 18.233 30.591 34.059
158 H LYS 24 H LYS 24 17.321 28.159 28.668
159 HA LYS 24 HA LYS 24 14.392 27.792 29.193
160 HB2 LYS 24 HB2 LYS 24 15.938 28.973 26.864
161 HB3 LYS 24 HB3 LYS 24 14.183 28.741 26.883
162 HG2 LYS 24 HG2 LYS 24 13.961 30.299 28.745
163 HG3 LYS 24 HG3 LYS 24 15.731 30.466 28.856
164 HD2 LYS 24 HD2 LYS 24 15.878 31.525 26.719
165 HD3 LYS 24 HD3 LYS 24 14.204 31.122 26.324
166 HE2 LYS 24 HE2 LYS 24 14.345 33.472 26.819
167 HE3 LYS 24 HE3 LYS 24 13.367 32.650 28.037
168 HZ1 LYS 24 HZ1 LYS 24 15.273 32.739 29.547
169 HZ2 LYS 24 HZ2 LYS 24 16.205 33.500 28.433
170 HZ3 LYS 24 HZ3 LYS 24 14.889 34.246 29.017
171 H HIS 25 H HIS 25 17.112 26.332 27.549
172 HA HIS 25 HA HIS 25 15.323 24.291 26.284
173 HB2 HIS 25 HB2 HIS 25 17.595 25.874 25.035
174 HB3 HIS 25 HB3 HIS 25 16.671 24.623 24.227
175 HD2 HIS 25 HD2 HIS 25 16.643 28.291 24.817
176 HE1 HIS 25 HE1 HIS 25 12.784 27.394 23.260
177 HE2 HIS 25 HE2 HIS 25 14.442 29.268 23.767
178 H CYS 26 H CYS 26 17.935 24.187 28.438
179 HA CYS 26 HA CYS 26 19.421 22.616 28.972
180 HB2 CYS 26 HB2 CYS 26 17.374 20.941 27.549
181 HB3 CYS 26 HB3 CYS 26 18.833 20.205 28.172
182 H LYS 27 H LYS 27 19.636 23.816 26.021
183 HA LYS 27 HA LYS 27 22.275 22.538 25.596
184 HB2 LYS 27 HB2 LYS 27 21.980 22.497 23.206
185 HB3 LYS 27 HB3 LYS 27 20.758 21.493 23.978
186 HG2 LYS 27 HG2 LYS 27 19.054 23.298 23.605
187 HG3 LYS 27 HG3 LYS 27 20.330 24.315 22.903
188 HD2 LYS 27 HD2 LYS 27 20.755 22.479 21.231
189 HD3 LYS 27 HD3 LYS 27 19.282 21.689 21.800
190 HE2 LYS 27 HE2 LYS 27 17.885 23.260 20.806
191 HE3 LYS 27 HE3 LYS 27 19.050 24.582 20.998
192 HZ1 LYS 27 HZ1 LYS 27 20.354 23.709 19.225
193 HZ2 LYS 27 HZ2 LYS 27 19.433 22.365 19.081
194 HZ3 LYS 27 HZ3 LYS 27 18.806 23.821 18.639
195 H CYS 28 H CYS 28 23.725 23.855 24.314
196 HA CYS 28 HA CYS 28 23.522 26.711 24.937
197 HB2 CYS 28 HB2 CYS 28 25.556 25.218 23.262
198 HB3 CYS 28 HB3 CYS 28 25.687 26.894 23.798
199 H ILE 29 H ILE 29 23.732 28.428 23.355
200 HA ILE 29 HA ILE 29 21.526 28.190 21.584
201 HB ILE 29 HB ILE 29 22.016 30.077 23.068
202 HG12 ILE 29 HG12 ILE 29 21.570 30.885 20.177
203 HG13 ILE 29 HG13 ILE 29 20.355 30.186 21.256
204 HG21 ILE 29 HG21 ILE 29 24.474 30.294 22.438
205 HG22 ILE 29 HG22 ILE 29 23.918 31.115 20.963
206 HG23 ILE 29 HG23 ILE 29 23.559 31.805 22.548
207 HD11 ILE 29 HD11 ILE 29 20.668 32.136 22.812
208 HD12 ILE 29 HD12 ILE 29 21.722 32.883 21.588
209 HD13 ILE 29 HD13 ILE 29 20.022 32.564 21.214
210 HA PRO 30 HA PRO 30 23.521 27.200 17.712
211 HB2 PRO 30 HB2 PRO 30 21.220 28.754 16.522
212 HB3 PRO 30 HB3 PRO 30 21.873 27.158 16.047
213 HG2 PRO 30 HG2 PRO 30 19.624 27.303 17.536
214 HG3 PRO 30 HG3 PRO 30 20.894 26.107 17.963
215 HD2 PRO 30 HD2 PRO 30 20.372 28.828 19.194
216 HD3 PRO 30 HD3 PRO 30 20.688 27.253 19.987
217 H ARG 31 H ARG 31 24.297 28.164 15.675
218 HA ARG 31 HA ARG 31 25.009 31.057 15.741
219 HB2 ARG 31 HB2 ARG 31 27.406 30.418 15.315
220 HB3 ARG 31 HB3 ARG 31 26.831 30.105 16.946
221 HG2 ARG 31 HG2 ARG 31 26.611 27.722 16.500
222 HG3 ARG 31 HG3 ARG 31 27.030 27.944 14.790
223 HD2 ARG 31 HD2 ARG 31 29.269 28.461 15.269
224 HD3 ARG 31 HD3 ARG 31 28.905 28.901 16.938
225 HE ARG 31 HE ARG 31 28.877 26.102 15.873
226 HH11 ARG 31 HH21 ARG 31 29.667 28.251 18.563
227 HH12 ARG 31 HH22 ARG 31 29.869 26.902 19.660
228 HH21 ARG 31 HH11 ARG 31 29.396 24.501 17.251
229 HH22 ARG 31 HH12 ARG 31 29.722 24.831 18.928
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 14.171 31.072 37.803
2 H2 GLY 1 H2 GLY 1 15.477 30.998 36.799
3 H3 GLY 1 H3 GLY 1 15.673 30.829 38.429
4 HA2 GLY 1 HA2 GLY 1 14.493 28.777 38.459
5 HA3 GLY 1 HA3 GLY 1 14.181 28.949 36.722
6 H SER 2 H SER 2 15.572 26.744 38.004
7 HA SER 2 HA SER 2 18.436 27.095 37.568
8 HB2 SER 2 HB2 SER 2 18.547 24.688 38.160
9 HB3 SER 2 HB3 SER 2 17.704 25.684 39.354
10 HG SER 2 HG SER 2 16.504 23.872 39.047
11 H GLY 3 H GLY 3 15.853 26.320 35.421
12 HA2 GLY 3 HA2 GLY 3 15.810 25.635 33.199
13 HA3 GLY 3 HA3 GLY 3 17.475 26.196 33.130
14 H CYS 4 H CYS 4 18.653 24.658 32.182
15 HA CYS 4 HA CYS 4 18.352 21.827 32.619
16 HB2 CYS 4 HB2 CYS 4 19.474 23.177 30.691
17 HB3 CYS 4 HB3 CYS 4 20.924 23.133 31.696
18 H MET 5 H MET 5 21.250 23.716 33.545
19 HA MET 5 HA MET 5 20.741 23.668 36.341
20 HB2 MET 5 HB2 MET 5 23.248 22.160 35.431
21 HB3 MET 5 HB3 MET 5 22.887 22.686 37.064
22 HG2 MET 5 HG2 MET 5 20.860 21.170 37.012
23 HG3 MET 5 HG3 MET 5 21.466 20.554 35.465
24 HE1 MET 5 HE1 MET 5 21.849 20.725 39.285
25 HE2 MET 5 HE2 MET 5 23.320 19.784 39.611
26 HE3 MET 5 HE3 MET 5 23.438 21.409 38.903
27 H LYS 6 H LYS 6 21.952 25.464 37.262
28 HA LYS 6 HA LYS 6 22.911 27.406 35.392
29 HB2 LYS 6 HB2 LYS 6 23.353 27.193 38.399
30 HB3 LYS 6 HB3 LYS 6 23.865 28.560 37.401
31 HG2 LYS 6 HG2 LYS 6 21.466 28.869 36.679
32 HG3 LYS 6 HG3 LYS 6 20.999 27.655 37.886
33 HD2 LYS 6 HD2 LYS 6 22.035 29.062 39.678
34 HD3 LYS 6 HD3 LYS 6 22.544 30.230 38.450
35 HE2 LYS 6 HE2 LYS 6 20.101 30.494 37.811
36 HE3 LYS 6 HE3 LYS 6 19.678 29.542 39.245
37 HZ1 LYS 6 HZ1 LYS 6 20.608 31.278 40.637
38 HZ2 LYS 6 HZ2 LYS 6 21.352 31.991 39.372
39 HZ3 LYS 6 HZ3 LYS 6 19.733 32.064 39.494
40 H GLU 7 H GLU 7 24.819 25.219 37.468
41 HA GLU 7 HA GLU 7 27.396 26.115 36.600
42 HB2 GLU 7 HB2 GLU 7 26.297 23.690 38.019
43 HB3 GLU 7 HB3 GLU 7 27.875 23.554 37.300
44 HG2 GLU 7 HG2 GLU 7 28.282 24.121 39.490
45 HG3 GLU 7 HG3 GLU 7 28.674 25.528 38.534
46 H TYR 8 H TYR 8 25.272 23.573 35.286
47 HA TYR 8 HA TYR 8 27.164 22.467 33.409
48 HB2 TYR 8 HB2 TYR 8 25.106 21.295 34.100
49 HB3 TYR 8 HB3 TYR 8 24.118 22.546 33.352
50 HD1 TYR 8 HD1 TYR 8 26.768 20.026 32.534
51 HD2 TYR 8 HD2 TYR 8 23.376 22.272 31.111
52 HE1 TYR 8 HE1 TYR 8 26.796 18.729 30.418
53 HE2 TYR 8 HE2 TYR 8 23.391 20.954 28.998
54 HH TYR 8 HH TYR 8 25.875 18.430 28.367
55 H CYS 9 H CYS 9 24.568 24.928 33.051
56 HA CYS 9 HA CYS 9 25.188 25.545 30.323
57 HB2 CYS 9 HB2 CYS 9 23.748 27.110 32.495
58 HB3 CYS 9 HB3 CYS 9 23.796 27.580 30.799
59 H ALA 10 H ALA 10 26.400 27.028 33.393
60 HA ALA 10 HA ALA 10 28.017 29.020 32.114
61 HB1 ALA 10 HB1 ALA 10 28.332 27.631 34.810
62 HB2 ALA 10 HB2 ALA 10 29.114 29.147 34.316
63 HB3 ALA 10 HB3 ALA 10 27.353 29.078 34.490
64 H GLY 11 H GLY 11 28.668 25.606 32.905
65 HA2 GLY 11 HA2 GLY 11 31.476 25.641 32.250
66 HA3 GLY 11 HA3 GLY 11 30.434 24.223 32.444
67 H GLN 12 H GLN 12 28.587 24.468 30.407
68 HA GLN 12 HA GLN 12 30.214 23.785 28.074
69 HB2 GLN 12 HB2 GLN 12 27.217 23.827 28.604
70 HB3 GLN 12 HB3 GLN 12 27.917 23.315 27.073
71 HG2 GLN 12 HG2 GLN 12 28.568 22.013 29.756
72 HG3 GLN 12 HG3 GLN 12 27.334 21.446 28.640
73 HE21 GLN 12 HE22 GLN 12 29.337 19.666 29.365
74 HE22 GLN 12 HE21 GLN 12 30.300 19.382 27.920
75 H CYS 13 H CYS 13 27.958 26.454 28.855
76 HA CYS 13 HA CYS 13 28.369 27.561 26.136
77 HB2 CYS 13 HB2 CYS 13 26.112 28.177 28.035
78 HB3 CYS 13 HB3 CYS 13 26.207 28.518 26.319
79 H ARG 14 H ARG 14 28.151 29.983 25.955
80 HA ARG 14 HA ARG 14 29.424 31.482 28.226
81 HB2 ARG 14 HB2 ARG 14 30.346 31.392 25.327
82 HB3 ARG 14 HB3 ARG 14 30.988 32.489 26.545
83 HG2 ARG 14 HG2 ARG 14 31.240 29.472 26.663
84 HG3 ARG 14 HG3 ARG 14 32.481 30.611 26.153
85 HD2 ARG 14 HD2 ARG 14 32.478 31.674 28.382
86 HD3 ARG 14 HD3 ARG 14 31.252 30.545 28.954
87 HE ARG 14 HE ARG 14 34.096 30.083 28.675
88 HH11 ARG 14 HH11 ARG 14 31.010 28.388 28.903
89 HH12 ARG 14 HH12 ARG 14 31.808 26.862 29.203
90 HH21 ARG 14 HH21 ARG 14 34.965 28.104 29.231
91 HH22 ARG 14 HH22 ARG 14 33.981 26.669 29.177
92 H GLY 15 H GLY 15 29.832 33.879 27.151
93 HA2 GLY 15 HA2 GLY 15 29.000 35.863 26.448
94 HA3 GLY 15 HA3 GLY 15 27.935 34.934 25.408
95 H LYS 16 H LYS 16 27.253 34.225 28.534
96 HA LYS 16 HA LYS 16 25.577 34.379 29.965
97 HB2 LYS 16 HB2 LYS 16 26.534 36.647 30.287
98 HB3 LYS 16 HB3 LYS 16 25.292 37.286 29.216
99 HG2 LYS 16 HG2 LYS 16 23.529 36.517 30.784
100 HG3 LYS 16 HG3 LYS 16 24.736 35.647 31.745
101 HD2 LYS 16 HD2 LYS 16 25.862 37.873 32.205
102 HD3 LYS 16 HD3 LYS 16 24.463 38.672 31.482
103 HE2 LYS 16 HE2 LYS 16 24.287 36.682 33.792
104 HE3 LYS 16 HE3 LYS 16 24.516 38.413 34.046
105 HZ1 LYS 16 HZ1 LYS 16 22.169 37.756 34.178
106 HZ2 LYS 16 HZ2 LYS 16 22.420 38.836 32.962
107 HZ3 LYS 16 HZ3 LYS 16 22.184 37.263 32.620
108 H VAL 17 H VAL 17 24.860 35.586 26.808
109 HA VAL 17 HA VAL 17 22.029 35.016 26.773
110 HB VAL 17 HB VAL 17 24.099 35.422 24.588
111 HG11 VAL 17 HG11 VAL 17 22.155 36.008 23.133
112 HG12 VAL 17 HG12 VAL 17 22.142 34.304 23.599
113 HG13 VAL 17 HG13 VAL 17 21.055 35.455 24.408
114 HG21 VAL 17 HG21 VAL 17 23.822 37.407 26.057
115 HG22 VAL 17 HG22 VAL 17 23.134 37.703 24.459
116 HG23 VAL 17 HG23 VAL 17 22.063 37.331 25.818
117 H SER 18 H SER 18 24.911 33.105 25.585
118 HA SER 18 HA SER 18 23.194 30.952 24.624
119 HB2 SER 18 HB2 SER 18 25.532 31.417 23.820
120 HB3 SER 18 HB3 SER 18 26.131 30.817 25.372
121 HG SER 18 HG SER 18 26.157 29.130 24.077
122 H GLN 19 H GLN 19 25.005 31.581 27.643
123 HA GLN 19 HA GLN 19 24.139 29.333 29.169
124 HB2 GLN 19 HB2 GLN 19 24.781 32.217 29.870
125 HB3 GLN 19 HB3 GLN 19 24.420 31.005 31.105
126 HG2 GLN 19 HG2 GLN 19 26.324 29.737 30.656
127 HG3 GLN 19 HG3 GLN 19 26.551 30.403 29.044
128 HE21 GLN 19 HE22 GLN 19 28.833 30.359 30.156
129 HE22 GLN 19 HE21 GLN 19 29.281 31.967 30.725
130 H ASP 20 H ASP 20 22.401 32.456 28.569
131 HA ASP 20 HA ASP 20 20.133 31.832 30.202
132 HB2 ASP 20 HB2 ASP 20 20.687 34.106 29.578
133 HB3 ASP 20 HB3 ASP 20 20.490 33.746 27.864
134 H TYR 21 H TYR 21 20.670 31.451 26.651
135 HA TYR 21 HA TYR 21 18.206 30.160 26.092
136 HB2 TYR 21 HB2 TYR 21 20.129 30.996 24.543
137 HB3 TYR 21 HB3 TYR 21 20.805 29.388 24.745
138 HD1 TYR 21 HD1 TYR 21 17.940 31.386 23.551
139 HD2 TYR 21 HD2 TYR 21 19.723 27.458 23.570
140 HE1 TYR 21 HE1 TYR 21 16.375 30.682 21.755
141 HE2 TYR 21 HE2 TYR 21 18.149 26.757 21.748
142 HH TYR 21 HH TYR 21 15.731 29.038 20.389
143 H CYS 22 H CYS 22 21.266 28.754 27.328
144 HA CYS 22 HA CYS 22 20.360 26.011 27.278
145 HB2 CYS 22 HB2 CYS 22 22.677 26.596 27.310
146 HB3 CYS 22 HB3 CYS 22 22.520 27.477 28.817
147 H LEU 23 H LEU 23 19.963 28.612 29.622
148 HA LEU 23 HA LEU 23 18.623 27.035 31.634
149 HB2 LEU 23 HB2 LEU 23 19.507 29.784 31.130
150 HB3 LEU 23 HB3 LEU 23 17.915 29.774 31.829
151 HG LEU 23 HG LEU 23 18.688 28.554 33.793
152 HD11 LEU 23 HD11 LEU 23 21.418 28.508 32.431
153 HD12 LEU 23 HD12 LEU 23 21.116 28.110 34.138
154 HD13 LEU 23 HD13 LEU 23 20.433 27.093 32.876
155 HD21 LEU 23 HD21 LEU 23 20.563 30.819 32.979
156 HD22 LEU 23 HD22 LEU 23 18.946 31.005 33.701
157 HD23 LEU 23 HD23 LEU 23 20.257 30.281 34.652
158 H LYS 24 H LYS 24 17.552 28.126 28.597
159 HA LYS 24 HA LYS 24 14.660 27.746 29.291
160 HB2 LYS 24 HB2 LYS 24 16.064 28.966 26.884
161 HB3 LYS 24 HB3 LYS 24 14.320 28.699 26.991
162 HG2 LYS 24 HG2 LYS 24 14.182 30.212 28.914
163 HG3 LYS 24 HG3 LYS 24 15.938 30.462 28.865
164 HD2 LYS 24 HD2 LYS 24 15.837 31.529 26.713
165 HD3 LYS 24 HD3 LYS 24 14.160 31.036 26.473
166 HE2 LYS 24 HE2 LYS 24 14.150 33.357 26.975
167 HE3 LYS 24 HE3 LYS 24 13.446 32.496 28.349
168 HZ1 LYS 24 HZ1 LYS 24 15.466 32.836 29.579
169 HZ2 LYS 24 HZ2 LYS 24 16.289 33.373 28.275
170 HZ3 LYS 24 HZ3 LYS 24 15.110 34.298 28.882
171 H HIS 25 H HIS 25 17.289 26.262 27.596
172 HA HIS 25 HA HIS 25 15.468 24.231 26.329
173 HB2 HIS 25 HB2 HIS 25 17.669 25.897 25.042
174 HB3 HIS 25 HB3 HIS 25 16.866 24.542 24.263
175 HD2 HIS 25 HD2 HIS 25 16.409 28.221 24.811
176 HE1 HIS 25 HE1 HIS 25 12.723 26.787 23.238
177 HE2 HIS 25 HE2 HIS 25 14.056 28.873 23.786
178 H CYS 26 H CYS 26 18.168 24.236 28.374
179 HA CYS 26 HA CYS 26 19.906 22.842 28.734
180 HB2 CYS 26 HB2 CYS 26 17.829 20.979 27.676
181 HB3 CYS 26 HB3 CYS 26 19.455 20.361 27.798
182 H LYS 27 H LYS 27 19.831 24.183 25.922
183 HA LYS 27 HA LYS 27 22.332 22.849 24.994
184 HB2 LYS 27 HB2 LYS 27 21.661 23.073 22.664
185 HB3 LYS 27 HB3 LYS 27 20.545 22.053 23.557
186 HG2 LYS 27 HG2 LYS 27 19.089 24.225 23.799
187 HG3 LYS 27 HG3 LYS 27 20.154 24.918 22.583
188 HD2 LYS 27 HD2 LYS 27 18.154 24.130 21.519
189 HD3 LYS 27 HD3 LYS 27 19.486 23.078 21.009
190 HE2 LYS 27 HE2 LYS 27 18.777 21.334 22.558
191 HE3 LYS 27 HE3 LYS 27 17.600 22.412 23.319
192 HZ1 LYS 27 HZ1 LYS 27 17.457 21.467 20.506
193 HZ2 LYS 27 HZ2 LYS 27 16.593 20.865 21.723
194 HZ3 LYS 27 HZ3 LYS 27 16.332 22.428 21.280
195 H CYS 28 H CYS 28 23.756 24.138 23.810
196 HA CYS 28 HA CYS 28 23.765 26.977 24.602
197 HB2 CYS 28 HB2 CYS 28 25.651 25.484 22.753
198 HB3 CYS 28 HB3 CYS 28 25.879 27.095 23.396
199 H ILE 29 H ILE 29 23.727 28.733 23.060
200 HA ILE 29 HA ILE 29 21.297 28.438 21.685
201 HB ILE 29 HB ILE 29 21.970 30.385 22.924
202 HG12 ILE 29 HG12 ILE 29 21.181 31.105 20.089
203 HG13 ILE 29 HG13 ILE 29 20.104 30.430 21.315
204 HG21 ILE 29 HG21 ILE 29 23.452 32.063 22.173
205 HG22 ILE 29 HG22 ILE 29 24.323 30.542 21.994
206 HG23 ILE 29 HG23 ILE 29 23.625 31.315 20.563
207 HD11 ILE 29 HD11 ILE 29 21.503 33.128 21.454
208 HD12 ILE 29 HD12 ILE 29 19.771 32.816 21.226
209 HD13 ILE 29 HD13 ILE 29 20.542 32.419 22.770
210 HA PRO 30 HA PRO 30 22.505 27.465 17.451
211 HB2 PRO 30 HB2 PRO 30 19.875 28.796 16.818
212 HB3 PRO 30 HB3 PRO 30 20.536 27.247 16.203
213 HG2 PRO 30 HG2 PRO 30 18.657 27.225 18.145
214 HG3 PRO 30 HG3 PRO 30 20.089 26.152 18.292
215 HD2 PRO 30 HD2 PRO 30 19.629 28.853 19.593
216 HD3 PRO 30 HD3 PRO 30 20.208 27.317 20.320
217 H ARG 31 H ARG 31 23.139 28.523 15.526
218 HA ARG 31 HA ARG 31 23.026 31.501 15.397
219 HB2 ARG 31 HB2 ARG 31 25.365 31.535 14.622
220 HB3 ARG 31 HB3 ARG 31 25.187 31.050 16.308
221 HG2 ARG 31 HG2 ARG 31 25.594 28.694 15.740
222 HG3 ARG 31 HG3 ARG 31 25.614 29.087 14.015
223 HD2 ARG 31 HD2 ARG 31 27.542 30.669 14.501
224 HD3 ARG 31 HD3 ARG 31 27.586 30.016 16.147
225 HE ARG 31 HE ARG 31 27.777 27.756 14.572
226 HH11 ARG 31 HH11 ARG 31 29.703 30.695 14.759
227 HH12 ARG 31 HH12 ARG 31 31.048 29.918 13.947
228 HH21 ARG 31 HH21 ARG 31 29.617 26.861 13.753
229 HH22 ARG 31 HH22 ARG 31 31.028 27.876 13.447
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 15.651 23.664 40.110
2 H2 GLY 1 H2 GLY 1 15.040 24.880 41.015
3 H3 GLY 1 H3 GLY 1 16.247 23.934 41.623
4 HA2 GLY 1 HA2 GLY 1 17.083 26.100 40.942
5 HA3 GLY 1 HA3 GLY 1 17.805 24.769 40.014
6 H SER 2 H SER 2 17.633 27.504 39.162
7 HA SER 2 HA SER 2 15.547 27.750 37.123
8 HB2 SER 2 HB2 SER 2 18.150 29.242 37.585
9 HB3 SER 2 HB3 SER 2 17.076 29.548 36.208
10 HG SER 2 HG SER 2 16.000 30.755 37.459
11 H GLY 3 H GLY 3 15.469 26.824 35.228
12 HA2 GLY 3 HA2 GLY 3 15.974 25.609 33.362
13 HA3 GLY 3 HA3 GLY 3 17.591 26.310 33.451
14 H CYS 4 H CYS 4 18.055 24.252 32.402
15 HA CYS 4 HA CYS 4 17.810 21.746 33.532
16 HB2 CYS 4 HB2 CYS 4 18.539 22.663 31.186
17 HB3 CYS 4 HB3 CYS 4 20.179 22.479 31.798
18 H MET 5 H MET 5 20.805 23.736 33.675
19 HA MET 5 HA MET 5 20.949 23.749 36.402
20 HB2 MET 5 HB2 MET 5 22.579 21.517 35.248
21 HB3 MET 5 HB3 MET 5 23.519 22.683 36.187
22 HG2 MET 5 HG2 MET 5 21.625 22.505 37.943
23 HG3 MET 5 HG3 MET 5 21.218 20.993 37.132
24 HE1 MET 5 HE1 MET 5 22.095 21.358 40.287
25 HE2 MET 5 HE2 MET 5 21.539 19.847 39.530
26 HE3 MET 5 HE3 MET 5 23.055 19.871 40.453
27 H LYS 6 H LYS 6 22.208 25.533 36.990
28 HA LYS 6 HA LYS 6 23.149 27.251 34.850
29 HB2 LYS 6 HB2 LYS 6 23.662 27.421 37.848
30 HB3 LYS 6 HB3 LYS 6 23.906 28.717 36.671
31 HG2 LYS 6 HG2 LYS 6 21.449 28.625 36.114
32 HG3 LYS 6 HG3 LYS 6 21.226 27.443 37.409
33 HD2 LYS 6 HD2 LYS 6 22.211 30.304 37.723
34 HD3 LYS 6 HD3 LYS 6 20.609 29.669 38.148
35 HE2 LYS 6 HE2 LYS 6 21.647 28.159 39.828
36 HE3 LYS 6 HE3 LYS 6 23.248 28.802 39.408
37 HZ1 LYS 6 HZ1 LYS 6 21.009 30.368 40.543
38 HZ2 LYS 6 HZ2 LYS 6 22.387 29.953 41.331
39 HZ3 LYS 6 HZ3 LYS 6 22.446 31.010 40.063
40 H GLU 7 H GLU 7 24.825 25.222 37.219
41 HA GLU 7 HA GLU 7 27.507 25.904 36.546
42 HB2 GLU 7 HB2 GLU 7 26.261 23.345 37.660
43 HB3 GLU 7 HB3 GLU 7 27.993 23.598 37.510
44 HG2 GLU 7 HG2 GLU 7 27.384 24.091 39.774
45 HG3 GLU 7 HG3 GLU 7 27.898 25.568 38.971
46 H TYR 8 H TYR 8 25.361 23.438 35.166
47 HA TYR 8 HA TYR 8 27.274 22.226 33.404
48 HB2 TYR 8 HB2 TYR 8 25.215 21.120 34.078
49 HB3 TYR 8 HB3 TYR 8 24.238 22.415 33.415
50 HD1 TYR 8 HD2 TYR 8 27.097 20.400 31.994
51 HD2 TYR 8 HD1 TYR 8 22.977 21.627 31.637
52 HE1 TYR 8 HE2 TYR 8 26.906 19.163 29.831
53 HE2 TYR 8 HE1 TYR 8 22.794 20.394 29.475
54 HH TYR 8 HH TYR 8 23.808 18.932 28.053
55 H CYS 9 H CYS 9 24.719 24.700 32.811
56 HA CYS 9 HA CYS 9 25.411 25.242 30.121
57 HB2 CYS 9 HB2 CYS 9 24.126 26.980 32.257
58 HB3 CYS 9 HB3 CYS 9 24.209 27.416 30.551
59 H ALA 10 H ALA 10 26.638 26.894 33.109
60 HA ALA 10 HA ALA 10 28.365 28.664 31.607
61 HB1 ALA 10 HB1 ALA 10 29.172 29.309 33.841
62 HB2 ALA 10 HB2 ALA 10 27.400 29.229 33.811
63 HB3 ALA 10 HB3 ALA 10 28.336 27.917 34.563
64 H GLY 11 H GLY 11 28.832 25.389 32.853
65 HA2 GLY 11 HA2 GLY 11 31.712 25.287 32.565
66 HA3 GLY 11 HA3 GLY 11 30.583 23.923 32.569
67 H GLN 12 H GLN 12 28.999 24.310 30.421
68 HA GLN 12 HA GLN 12 30.698 23.552 28.235
69 HB2 GLN 12 HB2 GLN 12 27.718 24.137 28.411
70 HB3 GLN 12 HB3 GLN 12 28.503 23.466 26.982
71 HG2 GLN 12 HG2 GLN 12 28.569 22.096 29.714
72 HG3 GLN 12 HG3 GLN 12 27.353 21.791 28.481
73 HE21 GLN 12 HE22 GLN 12 27.911 20.499 26.620
74 HE22 GLN 12 HE21 GLN 12 29.538 19.886 26.384
75 H CYS 13 H CYS 13 28.711 26.546 28.718
76 HA CYS 13 HA CYS 13 30.027 27.771 26.331
77 HB2 CYS 13 HB2 CYS 13 27.064 27.533 26.919
78 HB3 CYS 13 HB3 CYS 13 27.748 28.415 25.556
79 H ARG 14 H ARG 14 29.735 30.037 26.056
80 HA ARG 14 HA ARG 14 28.639 31.602 28.319
81 HB2 ARG 14 HB2 ARG 14 31.449 32.130 27.324
82 HB3 ARG 14 HB3 ARG 14 30.555 33.010 28.577
83 HG2 ARG 14 HG2 ARG 14 30.523 30.918 29.976
84 HG3 ARG 14 HG3 ARG 14 31.592 30.165 28.787
85 HD2 ARG 14 HD2 ARG 14 32.171 32.661 30.434
86 HD3 ARG 14 HD3 ARG 14 32.839 31.052 30.710
87 HE ARG 14 HE ARG 14 33.692 33.009 28.723
88 HH11 ARG 14 HH11 ARG 14 33.822 29.560 29.487
89 HH12 ARG 14 HH12 ARG 14 35.272 29.368 28.544
90 HH21 ARG 14 HH21 ARG 14 35.117 32.532 27.180
91 HH22 ARG 14 HH22 ARG 14 35.826 30.946 27.058
92 H GLY 15 H GLY 15 29.062 34.031 27.785
93 HA2 GLY 15 HA2 GLY 15 28.183 35.725 26.271
94 HA3 GLY 15 HA3 GLY 15 27.524 34.439 25.250
95 H LYS 16 H LYS 16 26.572 36.648 27.471
96 HA LYS 16 HA LYS 16 25.115 35.368 29.495
97 HB2 LYS 16 HB2 LYS 16 24.388 37.879 27.912
98 HB3 LYS 16 HB3 LYS 16 23.598 37.348 29.397
99 HG2 LYS 16 HG2 LYS 16 25.742 37.569 30.632
100 HG3 LYS 16 HG3 LYS 16 26.504 38.198 29.174
101 HD2 LYS 16 HD2 LYS 16 24.883 40.070 29.097
102 HD3 LYS 16 HD3 LYS 16 24.101 39.446 30.564
103 HE2 LYS 16 HE2 LYS 16 26.235 39.741 31.808
104 HE3 LYS 16 HE3 LYS 16 26.985 40.421 30.353
105 HZ1 LYS 16 HZ1 LYS 16 25.429 42.254 30.440
106 HZ2 LYS 16 HZ2 LYS 16 24.573 41.578 31.668
107 HZ3 LYS 16 HZ3 LYS 16 26.089 42.134 31.923
108 H VAL 17 H VAL 17 24.153 35.868 26.133
109 HA VAL 17 HA VAL 17 21.443 34.859 26.582
110 HB VAL 17 HB VAL 17 22.833 35.726 24.032
111 HG11 VAL 17 HG11 VAL 17 20.888 34.301 23.557
112 HG12 VAL 17 HG12 VAL 17 19.891 35.251 24.670
113 HG13 VAL 17 HG13 VAL 17 20.513 35.979 23.169
114 HG21 VAL 17 HG21 VAL 17 21.519 37.803 24.351
115 HG22 VAL 17 HG22 VAL 17 20.895 37.180 25.896
116 HG23 VAL 17 HG23 VAL 17 22.617 37.553 25.710
117 H SER 18 H SER 18 24.458 33.488 25.211
118 HA SER 18 HA SER 18 23.290 31.008 24.376
119 HB2 SER 18 HB2 SER 18 25.673 31.795 23.900
120 HB3 SER 18 HB3 SER 18 26.078 31.326 25.558
121 HG SER 18 HG SER 18 26.397 29.711 23.850
122 H GLN 19 H GLN 19 24.732 31.969 27.578
123 HA GLN 19 HA GLN 19 23.859 29.604 28.934
124 HB2 GLN 19 HB2 GLN 19 24.503 32.429 29.823
125 HB3 GLN 19 HB3 GLN 19 23.984 31.171 30.973
126 HG2 GLN 19 HG2 GLN 19 25.853 29.732 30.328
127 HG3 GLN 19 HG3 GLN 19 26.336 30.858 29.062
128 HE21 GLN 19 HE22 GLN 19 28.417 30.537 30.291
129 HE22 GLN 19 HE21 GLN 19 28.744 31.773 31.517
130 H ASP 20 H ASP 20 21.979 32.577 28.170
131 HA ASP 20 HA ASP 20 19.742 31.905 29.853
132 HB2 ASP 20 HB2 ASP 20 20.311 34.162 28.888
133 HB3 ASP 20 HB3 ASP 20 19.725 33.594 27.323
134 H TYR 21 H TYR 21 20.333 31.312 26.347
135 HA TYR 21 HA TYR 21 17.913 29.891 25.825
136 HB2 TYR 21 HB2 TYR 21 19.858 30.777 24.293
137 HB3 TYR 21 HB3 TYR 21 20.557 29.199 24.534
138 HD1 TYR 21 HD2 TYR 21 19.210 27.134 23.663
139 HD2 TYR 21 HD1 TYR 21 18.076 31.224 22.860
140 HE1 TYR 21 HE2 TYR 21 17.822 26.373 21.730
141 HE2 TYR 21 HE1 TYR 21 16.662 30.454 20.940
142 HH TYR 21 HH TYR 21 16.376 26.997 20.069
143 H CYS 22 H CYS 22 21.008 28.834 27.208
144 HA CYS 22 HA CYS 22 20.305 26.001 27.297
145 HB2 CYS 22 HB2 CYS 22 22.605 26.844 27.172
146 HB3 CYS 22 HB3 CYS 22 22.439 27.614 28.745
147 H LEU 23 H LEU 23 19.913 28.676 29.586
148 HA LEU 23 HA LEU 23 18.748 27.059 31.666
149 HB2 LEU 23 HB2 LEU 23 19.129 29.914 30.965
150 HB3 LEU 23 HB3 LEU 23 17.667 29.596 31.883
151 HG LEU 23 HG LEU 23 18.897 28.612 33.715
152 HD11 LEU 23 HD11 LEU 23 21.380 28.548 33.781
153 HD12 LEU 23 HD12 LEU 23 20.736 27.434 32.576
154 HD13 LEU 23 HD13 LEU 23 21.433 28.985 32.067
155 HD21 LEU 23 HD21 LEU 23 20.310 31.127 32.739
156 HD22 LEU 23 HD22 LEU 23 18.754 31.082 33.599
157 HD23 LEU 23 HD23 LEU 23 20.234 30.552 34.422
158 H LYS 24 H LYS 24 17.356 28.336 28.670
159 HA LYS 24 HA LYS 24 14.605 27.598 29.518
160 HB2 LYS 24 HB2 LYS 24 15.821 28.804 27.011
161 HB3 LYS 24 HB3 LYS 24 14.104 28.368 27.132
162 HG2 LYS 24 HG2 LYS 24 13.785 29.881 28.991
163 HG3 LYS 24 HG3 LYS 24 15.521 30.254 29.049
164 HD2 LYS 24 HD2 LYS 24 15.456 31.335 26.913
165 HD3 LYS 24 HD3 LYS 24 13.801 30.779 26.594
166 HE2 LYS 24 HE2 LYS 24 13.817 33.140 27.220
167 HE3 LYS 24 HE3 LYS 24 12.936 32.168 28.409
168 HZ1 LYS 24 HZ1 LYS 24 15.745 33.075 28.739
169 HZ2 LYS 24 HZ2 LYS 24 14.443 33.789 29.425
170 HZ3 LYS 24 HZ3 LYS 24 14.826 32.274 29.872
171 H HIS 25 H HIS 25 17.079 26.269 27.444
172 HA HIS 25 HA HIS 25 15.232 24.043 26.578
173 HB2 HIS 25 HB2 HIS 25 17.280 25.596 24.949
174 HB3 HIS 25 HB3 HIS 25 16.364 24.221 24.370
175 HD2 HIS 25 HD2 HIS 25 16.038 27.955 24.959
176 HE1 HIS 25 HE1 HIS 25 12.324 26.673 23.310
177 HE2 HIS 25 HE2 HIS 25 13.715 28.699 23.945
178 H CYS 26 H CYS 26 17.946 24.360 28.438
179 HA CYS 26 HA CYS 26 19.668 23.119 29.040
180 HB2 CYS 26 HB2 CYS 26 17.797 21.344 29.051
181 HB3 CYS 26 HB3 CYS 26 18.585 20.707 27.608
182 H LYS 27 H LYS 27 19.456 24.222 26.097
183 HA LYS 27 HA LYS 27 21.969 22.998 25.002
184 HB2 LYS 27 HB2 LYS 27 19.668 24.203 23.474
185 HB3 LYS 27 HB3 LYS 27 21.081 23.442 22.781
186 HG2 LYS 27 HG2 LYS 27 20.365 21.271 23.259
187 HG3 LYS 27 HG3 LYS 27 19.303 21.780 24.570
188 HD2 LYS 27 HD2 LYS 27 17.850 22.959 22.883
189 HD3 LYS 27 HD3 LYS 27 18.862 22.286 21.602
190 HE2 LYS 27 HE2 LYS 27 16.789 21.004 21.888
191 HE3 LYS 27 HE3 LYS 27 18.200 19.999 22.244
192 HZ1 LYS 27 HZ1 LYS 27 17.675 19.949 24.469
193 HZ2 LYS 27 HZ2 LYS 27 16.839 21.349 24.498
194 HZ3 LYS 27 HZ3 LYS 27 16.170 19.996 23.834
195 H CYS 28 H CYS 28 23.447 24.369 24.140
196 HA CYS 28 HA CYS 28 23.411 27.197 24.878
197 HB2 CYS 28 HB2 CYS 28 25.315 25.702 23.033
198 HB3 CYS 28 HB3 CYS 28 25.570 27.285 23.773
199 H ILE 29 H ILE 29 23.441 28.979 23.358
200 HA ILE 29 HA ILE 29 21.201 28.658 21.649
201 HB ILE 29 HB ILE 29 21.730 30.690 22.915
202 HG12 ILE 29 HG12 ILE 29 21.305 31.285 19.974
203 HG13 ILE 29 HG13 ILE 29 20.094 30.528 21.013
204 HG21 ILE 29 HG21 ILE 29 24.180 30.848 22.195
205 HG22 ILE 29 HG22 ILE 29 23.595 31.510 20.669
206 HG23 ILE 29 HG23 ILE 29 23.260 32.361 22.191
207 HD11 ILE 29 HD11 ILE 29 20.132 32.461 22.528
208 HD12 ILE 29 HD12 ILE 29 21.263 33.293 21.425
209 HD13 ILE 29 HD13 ILE 29 19.624 32.888 20.880
210 HA PRO 30 HA PRO 30 23.395 27.664 17.825
211 HB2 PRO 30 HB2 PRO 30 21.318 27.553 16.084
212 HB3 PRO 30 HB3 PRO 30 21.572 26.307 17.342
213 HG2 PRO 30 HG2 PRO 30 19.700 28.689 17.478
214 HG3 PRO 30 HG3 PRO 30 19.339 26.968 17.835
215 HD2 PRO 30 HD2 PRO 30 19.973 28.749 19.789
216 HD3 PRO 30 HD3 PRO 30 20.500 27.048 19.881
217 H ARG 31 H ARG 31 24.421 29.011 16.450
218 HA ARG 31 HA ARG 31 23.295 31.705 15.756
219 HB2 ARG 31 HB2 ARG 31 26.188 31.041 16.415
220 HB3 ARG 31 HB3 ARG 31 25.575 32.627 15.979
221 HG2 ARG 31 HG2 ARG 31 24.783 31.139 18.531
222 HG3 ARG 31 HG3 ARG 31 26.123 32.255 18.400
223 HD2 ARG 31 HD2 ARG 31 24.317 33.404 19.403
224 HD3 ARG 31 HD3 ARG 31 24.586 34.100 17.800
225 HE ARG 31 HE ARG 31 22.569 32.096 17.604
226 HH11 ARG 31 HH11 ARG 31 22.740 35.121 19.394
227 HH12 ARG 31 HH12 ARG 31 21.123 35.577 18.912
228 HH21 ARG 31 HH21 ARG 31 20.560 32.696 17.076
229 HH22 ARG 31 HH22 ARG 31 19.920 34.233 17.598
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 13.452 23.697 40.289
2 H2 GLY 1 H2 GLY 1 13.348 25.335 40.136
3 H3 GLY 1 H3 GLY 1 14.762 24.647 40.611
4 HA2 GLY 1 HA2 GLY 1 14.958 23.510 38.476
5 HA3 GLY 1 HA3 GLY 1 13.495 24.377 37.966
6 H SER 2 H SER 2 16.933 24.541 38.359
7 HA SER 2 HA SER 2 17.112 27.466 38.291
8 HB2 SER 2 HB2 SER 2 19.534 27.039 38.241
9 HB3 SER 2 HB3 SER 2 18.741 26.163 39.556
10 HG SER 2 HG SER 2 20.192 24.816 38.426
11 H GLY 3 H GLY 3 17.402 24.797 36.031
12 HA2 GLY 3 HA2 GLY 3 17.006 24.893 33.676
13 HA3 GLY 3 HA3 GLY 3 17.318 26.613 33.686
14 H CYS 4 H CYS 4 20.316 24.588 32.356
15 HA CYS 4 HA CYS 4 17.815 23.113 32.880
16 HB2 CYS 4 HB2 CYS 4 19.336 22.957 30.837
17 HB3 CYS 4 HB3 CYS 4 20.482 22.092 31.851
18 H MET 5 H MET 5 21.306 22.640 33.647
19 HA MET 5 HA MET 5 20.582 23.490 36.342
20 HB2 MET 5 HB2 MET 5 22.889 21.583 35.775
21 HB3 MET 5 HB3 MET 5 22.494 22.316 37.334
22 HG2 MET 5 HG2 MET 5 20.748 20.349 35.809
23 HG3 MET 5 HG3 MET 5 21.804 19.942 37.138
24 HE1 MET 5 HE1 MET 5 21.440 21.987 39.412
25 HE2 MET 5 HE2 MET 5 20.028 21.350 40.278
26 HE3 MET 5 HE3 MET 5 21.262 20.235 39.655
27 H LYS 6 H LYS 6 21.785 25.205 37.022
28 HA LYS 6 HA LYS 6 22.602 26.949 34.985
29 HB2 LYS 6 HB2 LYS 6 21.660 27.273 37.410
30 HB3 LYS 6 HB3 LYS 6 23.329 27.319 37.921
31 HG2 LYS 6 HG2 LYS 6 21.942 29.181 35.937
32 HG3 LYS 6 HG3 LYS 6 22.255 29.517 37.627
33 HD2 LYS 6 HD2 LYS 6 24.317 29.360 35.408
34 HD3 LYS 6 HD3 LYS 6 23.783 30.774 36.315
35 HE2 LYS 6 HE2 LYS 6 24.634 29.574 38.434
36 HE3 LYS 6 HE3 LYS 6 25.407 28.420 37.336
37 HZ1 LYS 6 HZ1 LYS 6 26.032 31.274 37.712
38 HZ2 LYS 6 HZ2 LYS 6 27.038 29.960 37.689
39 HZ3 LYS 6 HZ3 LYS 6 26.417 30.554 36.290
40 H GLU 7 H GLU 7 24.621 25.119 37.270
41 HA GLU 7 HA GLU 7 27.114 26.350 36.448
42 HB2 GLU 7 HB2 GLU 7 26.915 23.672 37.851
43 HB3 GLU 7 HB3 GLU 7 28.182 24.871 37.900
44 HG2 GLU 7 HG2 GLU 7 27.262 25.200 39.956
45 HG3 GLU 7 HG3 GLU 7 26.385 26.417 39.043
46 H TYR 8 H TYR 8 25.421 23.340 35.493
47 HA TYR 8 HA TYR 8 27.400 22.362 33.668
48 HB2 TYR 8 HB2 TYR 8 25.346 21.158 34.534
49 HB3 TYR 8 HB3 TYR 8 24.368 22.114 33.445
50 HD1 TYR 8 HD1 TYR 8 27.253 19.751 33.556
51 HD2 TYR 8 HD2 TYR 8 23.999 21.315 31.211
52 HE1 TYR 8 HE1 TYR 8 27.627 17.970 31.846
53 HE2 TYR 8 HE2 TYR 8 24.386 19.557 29.493
54 HH TYR 8 HH TYR 8 25.591 17.666 28.917
55 H CYS 9 H CYS 9 24.608 24.592 33.165
56 HA CYS 9 HA CYS 9 25.092 25.029 30.402
57 HB2 CYS 9 HB2 CYS 9 23.646 26.567 32.559
58 HB3 CYS 9 HB3 CYS 9 23.821 27.239 30.941
59 H ALA 10 H ALA 10 26.630 26.664 33.204
60 HA ALA 10 HA ALA 10 28.092 28.536 31.543
61 HB1 ALA 10 HB1 ALA 10 28.621 27.547 34.375
62 HB2 ALA 10 HB2 ALA 10 29.322 28.991 33.613
63 HB3 ALA 10 HB3 ALA 10 27.578 28.915 33.926
64 H GLY 11 H GLY 11 28.675 25.177 32.409
65 HA2 GLY 11 HA2 GLY 11 31.445 25.087 31.435
66 HA3 GLY 11 HA3 GLY 11 30.390 23.727 31.830
67 H GLN 12 H GLN 12 28.208 24.573 30.073
68 HA GLN 12 HA GLN 12 29.191 23.548 27.501
69 HB2 GLN 12 HB2 GLN 12 26.463 24.298 28.646
70 HB3 GLN 12 HB3 GLN 12 26.663 23.774 26.977
71 HG2 GLN 12 HG2 GLN 12 27.540 22.134 29.376
72 HG3 GLN 12 HG3 GLN 12 25.992 21.944 28.546
73 HE21 GLN 12 HE22 GLN 12 29.172 20.737 28.604
74 HE22 GLN 12 HE21 GLN 12 29.290 20.241 26.912
75 H CYS 13 H CYS 13 28.179 26.683 28.716
76 HA CYS 13 HA CYS 13 28.446 27.909 26.012
77 HB2 CYS 13 HB2 CYS 13 26.098 26.875 26.884
78 HB3 CYS 13 HB3 CYS 13 26.007 28.434 27.686
79 H ARG 14 H ARG 14 28.786 30.181 25.994
80 HA ARG 14 HA ARG 14 28.648 31.698 28.526
81 HB2 ARG 14 HB2 ARG 14 30.927 32.500 28.410
82 HB3 ARG 14 HB3 ARG 14 30.831 30.757 28.653
83 HG2 ARG 14 HG2 ARG 14 31.381 30.366 26.260
84 HG3 ARG 14 HG3 ARG 14 31.418 32.111 25.980
85 HD2 ARG 14 HD2 ARG 14 33.674 31.178 26.189
86 HD3 ARG 14 HD3 ARG 14 33.338 32.375 27.433
87 HE ARG 14 HE ARG 14 33.202 29.401 27.873
88 HH11 ARG 14 HH11 ARG 14 34.135 32.552 29.176
89 HH12 ARG 14 HH12 ARG 14 34.706 31.829 30.666
90 HH21 ARG 14 HH21 ARG 14 33.938 28.617 29.786
91 HH22 ARG 14 HH22 ARG 14 34.810 29.653 30.902
92 H GLY 15 H GLY 15 29.142 33.981 28.334
93 HA2 GLY 15 HA2 GLY 15 28.244 35.973 27.397
94 HA3 GLY 15 HA3 GLY 15 27.622 35.068 26.012
95 H LYS 16 H LYS 16 26.357 36.749 28.262
96 HA LYS 16 HA LYS 16 24.911 34.993 30.025
97 HB2 LYS 16 HB2 LYS 16 25.535 37.387 30.428
98 HB3 LYS 16 HB3 LYS 16 24.275 37.876 29.287
99 HG2 LYS 16 HG2 LYS 16 22.532 36.942 30.712
100 HG3 LYS 16 HG3 LYS 16 23.733 36.149 31.736
101 HD2 LYS 16 HD2 LYS 16 22.895 38.069 32.896
102 HD3 LYS 16 HD3 LYS 16 24.584 38.358 32.469
103 HE2 LYS 16 HE2 LYS 16 23.894 39.774 30.568
104 HE3 LYS 16 HE3 LYS 16 22.191 39.410 30.899
105 HZ1 LYS 16 HZ1 LYS 16 24.019 40.860 32.727
106 HZ2 LYS 16 HZ2 LYS 16 22.763 41.512 31.851
107 HZ3 LYS 16 HZ3 LYS 16 22.458 40.455 33.068
108 H VAL 17 H VAL 17 24.143 36.205 26.821
109 HA VAL 17 HA VAL 17 21.322 35.411 26.859
110 HB VAL 17 HB VAL 17 23.100 35.997 24.471
111 HG11 VAL 17 HG11 VAL 17 20.960 36.565 23.359
112 HG12 VAL 17 HG12 VAL 17 21.031 34.865 23.804
113 HG13 VAL 17 HG13 VAL 17 20.069 35.997 24.783
114 HG21 VAL 17 HG21 VAL 17 23.074 37.944 25.976
115 HG22 VAL 17 HG22 VAL 17 22.085 38.256 24.552
116 HG23 VAL 17 HG23 VAL 17 21.301 37.848 26.091
117 H SER 18 H SER 18 24.415 34.016 25.670
118 HA SER 18 HA SER 18 23.404 31.644 24.546
119 HB2 SER 18 HB2 SER 18 26.030 31.637 25.985
120 HB3 SER 18 HB3 SER 18 25.617 31.091 24.357
121 HG SER 18 HG SER 18 26.971 33.047 24.774
122 H GLN 19 H GLN 19 24.706 32.262 27.892
123 HA GLN 19 HA GLN 19 23.862 29.724 28.933
124 HB2 GLN 19 HB2 GLN 19 24.449 32.398 30.243
125 HB3 GLN 19 HB3 GLN 19 24.028 30.939 31.164
126 HG2 GLN 19 HG2 GLN 19 25.925 29.713 30.234
127 HG3 GLN 19 HG3 GLN 19 26.323 31.056 29.162
128 HE21 GLN 19 HE22 GLN 19 28.462 30.529 30.343
129 HE22 GLN 19 HE21 GLN 19 28.764 31.667 31.665
130 H ASP 20 H ASP 20 22.040 32.849 28.767
131 HA ASP 20 HA ASP 20 19.726 31.988 30.157
132 HB2 ASP 20 HB2 ASP 20 20.009 34.277 29.658
133 HB3 ASP 20 HB3 ASP 20 20.212 33.962 27.936
134 H TYR 21 H TYR 21 20.532 31.624 26.651
135 HA TYR 21 HA TYR 21 18.179 30.181 25.936
136 HB2 TYR 21 HB2 TYR 21 19.963 31.097 24.378
137 HB3 TYR 21 HB3 TYR 21 20.966 29.730 24.818
138 HD1 TYR 21 HD1 TYR 21 20.390 27.434 24.078
139 HD2 TYR 21 HD2 TYR 21 17.938 30.808 22.995
140 HE1 TYR 21 HE1 TYR 21 19.153 26.022 22.442
141 HE2 TYR 21 HE2 TYR 21 16.734 29.403 21.333
142 HH TYR 21 HH TYR 21 16.497 27.318 20.416
143 H CYS 22 H CYS 22 21.265 28.962 27.366
144 HA CYS 22 HA CYS 22 20.449 26.174 27.223
145 HB2 CYS 22 HB2 CYS 22 22.777 26.923 27.304
146 HB3 CYS 22 HB3 CYS 22 22.547 27.565 28.928
147 H LEU 23 H LEU 23 20.076 28.703 29.689
148 HA LEU 23 HA LEU 23 18.817 27.052 31.682
149 HB2 LEU 23 HB2 LEU 23 19.243 29.946 31.073
150 HB3 LEU 23 HB3 LEU 23 17.872 29.538 32.105
151 HG LEU 23 HG LEU 23 19.267 28.516 33.750
152 HD11 LEU 23 HD11 LEU 23 21.688 28.492 33.688
153 HD12 LEU 23 HD12 LEU 23 21.091 27.589 32.307
154 HD13 LEU 23 HD13 LEU 23 21.713 29.243 32.077
155 HD21 LEU 23 HD21 LEU 23 20.502 30.486 34.504
156 HD22 LEU 23 HD22 LEU 23 20.414 31.189 32.871
157 HD23 LEU 23 HD23 LEU 23 18.930 30.938 33.823
158 H LYS 24 H LYS 24 17.635 28.228 28.670
159 HA LYS 24 HA LYS 24 14.772 27.721 29.371
160 HB2 LYS 24 HB2 LYS 24 16.210 29.041 27.047
161 HB3 LYS 24 HB3 LYS 24 14.495 28.598 26.958
162 HG2 LYS 24 HG2 LYS 24 13.891 30.021 28.695
163 HG3 LYS 24 HG3 LYS 24 15.558 30.217 29.271
164 HD2 LYS 24 HD2 LYS 24 16.142 31.556 27.328
165 HD3 LYS 24 HD3 LYS 24 14.503 31.353 26.654
166 HE2 LYS 24 HE2 LYS 24 13.496 32.519 28.490
167 HE3 LYS 24 HE3 LYS 24 14.966 32.441 29.461
168 HZ1 LYS 24 HZ1 LYS 24 16.013 34.012 28.039
169 HZ2 LYS 24 HZ2 LYS 24 14.770 34.000 26.957
170 HZ3 LYS 24 HZ3 LYS 24 14.529 34.628 28.450
171 H HIS 25 H HIS 25 17.387 26.408 27.477
172 HA HIS 25 HA HIS 25 15.562 24.322 26.304
173 HB2 HIS 25 HB2 HIS 25 17.779 25.959 25.035
174 HB3 HIS 25 HB3 HIS 25 16.935 24.653 24.236
175 HD2 HIS 25 HD2 HIS 25 16.601 28.326 24.932
176 HE1 HIS 25 HE1 HIS 25 12.921 27.145 23.154
177 HE2 HIS 25 HE2 HIS 25 14.385 29.131 23.777
178 H CYS 26 H CYS 26 18.268 24.345 28.316
179 HA CYS 26 HA CYS 26 19.783 22.807 28.882
180 HB2 CYS 26 HB2 CYS 26 17.949 20.834 27.509
181 HB3 CYS 26 HB3 CYS 26 19.244 20.416 28.619
182 H LYS 27 H LYS 27 20.014 23.969 26.007
183 HA LYS 27 HA LYS 27 22.607 22.616 25.618
184 HB2 LYS 27 HB2 LYS 27 22.346 22.478 23.201
185 HB3 LYS 27 HB3 LYS 27 21.149 21.488 24.021
186 HG2 LYS 27 HG2 LYS 27 19.436 23.313 23.631
187 HG3 LYS 27 HG3 LYS 27 20.677 24.231 22.756
188 HD2 LYS 27 HD2 LYS 27 20.941 22.303 21.189
189 HD3 LYS 27 HD3 LYS 27 19.614 21.479 22.032
190 HE2 LYS 27 HE2 LYS 27 18.064 23.291 21.433
191 HE3 LYS 27 HE3 LYS 27 19.379 24.202 20.667
192 HZ1 LYS 27 HZ1 LYS 27 18.389 21.549 19.799
193 HZ2 LYS 27 HZ2 LYS 27 18.093 22.966 19.013
194 HZ3 LYS 27 HZ3 LYS 27 19.616 22.385 19.073
195 H CYS 28 H CYS 28 24.110 23.870 24.348
196 HA CYS 28 HA CYS 28 23.899 26.721 24.810
197 HB2 CYS 28 HB2 CYS 28 26.037 25.311 24.671
198 HB3 CYS 28 HB3 CYS 28 25.829 25.395 22.917
199 H ILE 29 H ILE 29 24.020 28.354 23.179
200 HA ILE 29 HA ILE 29 21.579 28.250 21.795
201 HB ILE 29 HB ILE 29 22.380 30.169 22.969
202 HG12 ILE 29 HG12 ILE 29 21.917 30.889 20.059
203 HG13 ILE 29 HG13 ILE 29 20.650 30.337 21.166
204 HG21 ILE 29 HG21 ILE 29 24.098 31.675 22.134
205 HG22 ILE 29 HG22 ILE 29 24.790 30.062 22.341
206 HG23 ILE 29 HG23 ILE 29 24.362 30.641 20.719
207 HD11 ILE 29 HD11 ILE 29 20.597 32.754 21.028
208 HD12 ILE 29 HD12 ILE 29 21.112 32.281 22.656
209 HD13 ILE 29 HD13 ILE 29 22.304 32.883 21.482
210 HA PRO 30 HA PRO 30 22.834 26.799 17.786
211 HB2 PRO 30 HB2 PRO 30 20.307 28.127 16.831
212 HB3 PRO 30 HB3 PRO 30 20.916 26.477 16.482
213 HG2 PRO 30 HG2 PRO 30 18.957 26.853 18.317
214 HG3 PRO 30 HG3 PRO 30 20.315 25.729 18.678
215 HD2 PRO 30 HD2 PRO 30 19.965 28.604 19.585
216 HD3 PRO 30 HD3 PRO 30 20.458 27.150 20.511
217 H ARG 31 H ARG 31 24.162 27.539 16.343
218 HA ARG 31 HA ARG 31 24.179 30.306 15.256
219 HB2 ARG 31 HB2 ARG 31 26.514 30.583 15.985
220 HB3 ARG 31 HB3 ARG 31 25.374 30.473 17.320
221 HG2 ARG 31 HG2 ARG 31 26.016 28.015 17.585
222 HG3 ARG 31 HG3 ARG 31 27.280 28.287 16.381
223 HD2 ARG 31 HD2 ARG 31 26.937 29.782 19.021
224 HD3 ARG 31 HD3 ARG 31 28.059 28.444 18.769
225 HE ARG 31 HE ARG 31 28.356 31.223 17.890
226 HH11 ARG 31 HH11 ARG 31 29.464 27.951 17.175
227 HH12 ARG 31 HH12 ARG 31 30.782 28.553 16.197
228 HH21 ARG 31 HH21 ARG 31 30.283 31.854 17.050
229 HH22 ARG 31 HH22 ARG 31 31.338 30.661 16.292
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 9.731 25.886 26.007
2 H2 GLY 1 H2 GLY 1 10.746 27.037 26.607
3 H3 GLY 1 H3 GLY 1 9.441 26.546 27.490
4 HA2 GLY 1 HA2 GLY 1 10.371 24.308 27.634
5 HA3 GLY 1 HA3 GLY 1 11.811 24.941 26.807
6 H SER 2 H SER 2 11.975 23.744 29.342
7 HA SER 2 HA SER 2 12.512 26.056 31.149
8 HB2 SER 2 HB2 SER 2 12.142 24.712 33.042
9 HB3 SER 2 HB3 SER 2 10.752 24.504 31.973
10 HG SER 2 HG SER 2 11.900 22.615 33.044
11 H GLY 3 H GLY 3 14.293 25.944 32.573
12 HA2 GLY 3 HA2 GLY 3 16.726 25.226 31.161
13 HA3 GLY 3 HA3 GLY 3 16.593 26.078 32.702
14 H CYS 4 H CYS 4 18.517 24.174 32.067
15 HA CYS 4 HA CYS 4 17.867 21.755 33.650
16 HB2 CYS 4 HB2 CYS 4 19.785 22.466 31.495
17 HB3 CYS 4 HB3 CYS 4 20.404 21.377 32.724
18 H MET 5 H MET 5 21.079 23.286 33.672
19 HA MET 5 HA MET 5 20.667 24.388 36.367
20 HB2 MET 5 HB2 MET 5 22.718 22.203 35.799
21 HB3 MET 5 HB3 MET 5 22.823 23.324 37.166
22 HG2 MET 5 HG2 MET 5 20.534 22.553 37.885
23 HG3 MET 5 HG3 MET 5 20.638 21.282 36.683
24 HE1 MET 5 HE1 MET 5 22.373 19.269 36.764
25 HE2 MET 5 HE2 MET 5 23.770 20.374 36.870
26 HE3 MET 5 HE3 MET 5 23.589 19.056 38.041
27 H LYS 6 H LYS 6 21.945 26.085 36.779
28 HA LYS 6 HA LYS 6 23.222 27.624 34.724
29 HB2 LYS 6 HB2 LYS 6 23.425 27.647 37.756
30 HB3 LYS 6 HB3 LYS 6 24.115 28.897 36.726
31 HG2 LYS 6 HG2 LYS 6 22.001 29.673 36.004
32 HG3 LYS 6 HG3 LYS 6 21.140 28.254 36.606
33 HD2 LYS 6 HD2 LYS 6 22.605 30.180 38.459
34 HD3 LYS 6 HD3 LYS 6 20.916 30.386 37.986
35 HE2 LYS 6 HE2 LYS 6 20.379 28.116 38.852
36 HE3 LYS 6 HE3 LYS 6 22.048 27.947 39.408
37 HZ1 LYS 6 HZ1 LYS 6 21.682 29.887 40.844
38 HZ2 LYS 6 HZ2 LYS 6 20.104 29.985 40.364
39 HZ3 LYS 6 HZ3 LYS 6 20.619 28.679 41.191
40 H GLU 7 H GLU 7 24.643 25.506 37.266
41 HA GLU 7 HA GLU 7 27.354 25.880 36.614
42 HB2 GLU 7 HB2 GLU 7 25.914 23.370 37.621
43 HB3 GLU 7 HB3 GLU 7 27.652 23.556 37.561
44 HG2 GLU 7 HG2 GLU 7 27.434 24.241 39.692
45 HG3 GLU 7 HG3 GLU 7 27.068 25.809 38.970
46 H TYR 8 H TYR 8 25.142 23.470 35.166
47 HA TYR 8 HA TYR 8 27.123 22.294 33.401
48 HB2 TYR 8 HB2 TYR 8 25.094 21.130 34.125
49 HB3 TYR 8 HB3 TYR 8 24.078 22.359 33.413
50 HD1 TYR 8 HD1 TYR 8 26.758 19.893 32.427
51 HD2 TYR 8 HD2 TYR 8 23.178 22.008 31.275
52 HE1 TYR 8 HE1 TYR 8 26.587 18.493 30.370
53 HE2 TYR 8 HE2 TYR 8 23.014 20.609 29.235
54 HH TYR 8 HH TYR 8 23.933 18.903 28.004
55 H CYS 9 H CYS 9 24.543 24.734 32.989
56 HA CYS 9 HA CYS 9 25.006 25.255 30.241
57 HB2 CYS 9 HB2 CYS 9 23.709 26.852 32.476
58 HB3 CYS 9 HB3 CYS 9 23.686 27.360 30.792
59 H ALA 10 H ALA 10 26.559 26.791 33.104
60 HA ALA 10 HA ALA 10 27.880 28.791 31.470
61 HB1 ALA 10 HB1 ALA 10 28.315 27.918 34.355
62 HB2 ALA 10 HB2 ALA 10 28.960 29.392 33.604
63 HB3 ALA 10 HB3 ALA 10 27.210 29.196 33.804
64 H GLY 11 H GLY 11 28.636 25.491 32.136
65 HA2 GLY 11 HA2 GLY 11 31.481 25.724 31.306
66 HA3 GLY 11 HA3 GLY 11 30.583 24.247 31.675
67 H GLN 12 H GLN 12 28.397 24.332 30.046
68 HA GLN 12 HA GLN 12 29.492 23.636 27.472
69 HB2 GLN 12 HB2 GLN 12 26.661 23.941 28.556
70 HB3 GLN 12 HB3 GLN 12 26.997 23.358 26.927
71 HG2 GLN 12 HG2 GLN 12 28.123 22.043 29.430
72 HG3 GLN 12 HG3 GLN 12 26.606 21.565 28.666
73 HE21 GLN 12 HE22 GLN 12 29.931 20.753 28.705
74 HE22 GLN 12 HE21 GLN 12 30.036 20.208 27.027
75 H CYS 13 H CYS 13 28.001 26.614 28.616
76 HA CYS 13 HA CYS 13 28.303 27.810 25.896
77 HB2 CYS 13 HB2 CYS 13 25.958 26.776 26.684
78 HB3 CYS 13 HB3 CYS 13 25.829 28.322 27.509
79 H ARG 14 H ARG 14 28.637 30.030 25.803
80 HA ARG 14 HA ARG 14 29.263 31.412 28.412
81 HB2 ARG 14 HB2 ARG 14 30.932 31.294 25.895
82 HB3 ARG 14 HB3 ARG 14 31.326 32.177 27.368
83 HG2 ARG 14 HG2 ARG 14 31.205 29.139 27.060
84 HG3 ARG 14 HG3 ARG 14 32.659 30.122 27.159
85 HD2 ARG 14 HD2 ARG 14 30.612 29.775 29.389
86 HD3 ARG 14 HD3 ARG 14 32.189 28.990 29.286
87 HE ARG 14 HE ARG 14 32.780 31.706 29.110
88 HH11 ARG 14 HH12 ARG 14 31.201 29.763 31.624
89 HH12 ARG 14 HH11 ARG 14 31.696 30.959 32.827
90 HH21 ARG 14 HH21 ARG 14 33.392 32.958 30.728
91 HH22 ARG 14 HH22 ARG 14 32.921 32.559 32.392
92 H GLY 15 H GLY 15 29.232 33.588 28.521
93 HA2 GLY 15 HA2 GLY 15 28.583 35.767 27.877
94 HA3 GLY 15 HA3 GLY 15 27.984 35.178 26.323
95 H LYS 16 H LYS 16 26.594 36.829 28.304
96 HA LYS 16 HA LYS 16 25.056 35.383 30.176
97 HB2 LYS 16 HB2 LYS 16 25.581 37.866 30.080
98 HB3 LYS 16 HB3 LYS 16 24.295 38.040 28.887
99 HG2 LYS 16 HG2 LYS 16 22.646 37.216 30.571
100 HG3 LYS 16 HG3 LYS 16 23.966 37.006 31.738
101 HD2 LYS 16 HD2 LYS 16 24.479 39.508 31.373
102 HD3 LYS 16 HD3 LYS 16 22.931 39.619 30.541
103 HE2 LYS 16 HE2 LYS 16 23.334 38.656 33.415
104 HE3 LYS 16 HE3 LYS 16 22.945 40.319 32.973
105 HZ1 LYS 16 HZ1 LYS 16 20.955 39.072 33.603
106 HZ2 LYS 16 HZ2 LYS 16 20.847 39.535 32.040
107 HZ3 LYS 16 HZ3 LYS 16 21.216 37.966 32.447
108 H VAL 17 H VAL 17 24.222 36.247 26.854
109 HA VAL 17 HA VAL 17 21.465 35.346 27.001
110 HB VAL 17 HB VAL 17 22.229 37.108 25.484
111 HG11 VAL 17 HG11 VAL 17 23.340 36.661 23.389
112 HG12 VAL 17 HG12 VAL 17 24.391 36.114 24.699
113 HG13 VAL 17 HG13 VAL 17 23.472 34.935 23.742
114 HG21 VAL 17 HG21 VAL 17 20.118 35.847 25.054
115 HG22 VAL 17 HG22 VAL 17 20.876 36.460 23.571
116 HG23 VAL 17 HG23 VAL 17 21.008 34.750 23.981
117 H SER 18 H SER 18 24.504 33.897 25.893
118 HA SER 18 HA SER 18 23.447 31.602 24.653
119 HB2 SER 18 HB2 SER 18 26.163 31.658 25.934
120 HB3 SER 18 HB3 SER 18 25.689 31.127 24.316
121 HG SER 18 HG SER 18 26.918 33.123 24.530
122 H GLN 19 H GLN 19 24.950 32.124 27.883
123 HA GLN 19 HA GLN 19 24.173 29.665 29.111
124 HB2 GLN 19 HB2 GLN 19 24.436 32.505 30.182
125 HB3 GLN 19 HB3 GLN 19 24.229 31.077 31.216
126 HG2 GLN 19 HG2 GLN 19 26.270 30.083 30.424
127 HG3 GLN 19 HG3 GLN 19 26.493 31.303 29.176
128 HE21 GLN 19 HE22 GLN 19 28.544 30.762 30.825
129 HE22 GLN 19 HE21 GLN 19 28.775 32.118 31.944
130 H ASP 20 H ASP 20 22.244 32.674 28.682
131 HA ASP 20 HA ASP 20 19.962 31.814 30.147
132 HB2 ASP 20 HB2 ASP 20 20.472 34.135 29.645
133 HB3 ASP 20 HB3 ASP 20 20.249 33.850 27.921
134 H TYR 21 H TYR 21 20.760 31.412 26.665
135 HA TYR 21 HA TYR 21 18.359 30.126 25.845
136 HB2 TYR 21 HB2 TYR 21 20.416 30.812 24.448
137 HB3 TYR 21 HB3 TYR 21 21.141 29.290 24.932
138 HD1 TYR 21 HD1 TYR 21 18.468 30.951 23.065
139 HD2 TYR 21 HD2 TYR 21 20.261 27.095 23.906
140 HE1 TYR 21 HE1 TYR 21 17.064 29.904 21.310
141 HE2 TYR 21 HE2 TYR 21 18.867 26.089 22.117
142 HH TYR 21 HH TYR 21 16.488 27.988 20.244
143 H CYS 22 H CYS 22 21.277 28.685 27.359
144 HA CYS 22 HA CYS 22 20.280 25.976 27.320
145 HB2 CYS 22 HB2 CYS 22 22.634 26.574 27.432
146 HB3 CYS 22 HB3 CYS 22 22.407 27.355 28.985
147 H LEU 23 H LEU 23 19.854 28.623 29.577
148 HA LEU 23 HA LEU 23 18.407 27.133 31.598
149 HB2 LEU 23 HB2 LEU 23 19.223 29.906 30.962
150 HB3 LEU 23 HB3 LEU 23 17.691 29.767 31.798
151 HG LEU 23 HG LEU 23 18.684 28.617 33.670
152 HD11 LEU 23 HD11 LEU 23 21.139 28.337 33.869
153 HD12 LEU 23 HD12 LEU 23 20.462 27.302 32.611
154 HD13 LEU 23 HD13 LEU 23 21.329 28.792 32.161
155 HD21 LEU 23 HD21 LEU 23 20.108 30.459 34.476
156 HD22 LEU 23 HD22 LEU 23 20.345 31.022 32.803
157 HD23 LEU 23 HD23 LEU 23 18.735 31.093 33.552
158 H LYS 24 H LYS 24 17.440 27.780 28.450
159 HA LYS 24 HA LYS 24 14.594 27.207 29.266
160 HB2 LYS 24 HB2 LYS 24 15.535 28.764 26.823
161 HB3 LYS 24 HB3 LYS 24 13.855 28.324 27.209
162 HG2 LYS 24 HG2 LYS 24 14.212 29.538 29.439
163 HG3 LYS 24 HG3 LYS 24 15.708 30.173 28.722
164 HD2 LYS 24 HD2 LYS 24 14.499 31.402 27.051
165 HD3 LYS 24 HD3 LYS 24 12.992 30.551 27.452
166 HE2 LYS 24 HE2 LYS 24 13.196 31.490 29.817
167 HE3 LYS 24 HE3 LYS 24 14.543 32.481 29.241
168 HZ1 LYS 24 HZ1 LYS 24 13.004 33.485 27.641
169 HZ2 LYS 24 HZ2 LYS 24 11.763 32.574 28.214
170 HZ3 LYS 24 HZ3 LYS 24 12.486 33.705 29.192
171 H HIS 25 H HIS 25 17.288 26.084 27.566
172 HA HIS 25 HA HIS 25 15.640 23.977 26.168
173 HB2 HIS 25 HB2 HIS 25 17.925 25.655 25.065
174 HB3 HIS 25 HB3 HIS 25 17.198 24.288 24.241
175 HD2 HIS 25 HD2 HIS 25 16.623 27.972 24.877
176 HE1 HIS 25 HE1 HIS 25 13.705 26.642 22.085
177 HE2 HIS 25 HE2 HIS 25 14.765 28.691 23.160
178 H CYS 26 H CYS 26 18.132 24.185 28.451
179 HA CYS 26 HA CYS 26 19.751 22.855 29.161
180 HB2 CYS 26 HB2 CYS 26 17.709 21.266 28.987
181 HB3 CYS 26 HB3 CYS 26 18.578 20.537 27.643
182 H LYS 27 H LYS 27 19.912 23.851 26.131
183 HA LYS 27 HA LYS 27 22.535 22.543 25.532
184 HB2 LYS 27 HB2 LYS 27 22.030 22.527 23.188
185 HB3 LYS 27 HB3 LYS 27 20.796 21.603 24.040
186 HG2 LYS 27 HG2 LYS 27 19.245 23.521 23.854
187 HG3 LYS 27 HG3 LYS 27 20.479 24.475 23.048
188 HD2 LYS 27 HD2 LYS 27 19.147 21.973 22.003
189 HD3 LYS 27 HD3 LYS 27 18.905 23.618 21.439
190 HE2 LYS 27 HE2 LYS 27 21.543 22.077 21.226
191 HE3 LYS 27 HE3 LYS 27 20.331 22.165 19.947
192 HZ1 LYS 27 HZ1 LYS 27 22.064 23.797 19.579
193 HZ2 LYS 27 HZ2 LYS 27 20.625 24.544 19.865
194 HZ3 LYS 27 HZ3 LYS 27 21.754 24.550 21.014
195 H CYS 28 H CYS 28 23.854 23.818 23.960
196 HA CYS 28 HA CYS 28 23.834 26.637 24.732
197 HB2 CYS 28 HB2 CYS 28 25.887 25.190 24.365
198 HB3 CYS 28 HB3 CYS 28 25.589 25.359 22.635
199 H ILE 29 H ILE 29 24.037 28.348 23.064
200 HA ILE 29 HA ILE 29 21.477 28.556 21.810
201 HB ILE 29 HB ILE 29 22.549 30.281 23.130
202 HG12 ILE 29 HG12 ILE 29 22.089 31.366 20.335
203 HG13 ILE 29 HG13 ILE 29 20.809 30.909 21.475
204 HG21 ILE 29 HG21 ILE 29 24.883 29.938 22.411
205 HG22 ILE 29 HG22 ILE 29 24.501 30.646 20.829
206 HG23 ILE 29 HG23 ILE 29 24.417 31.625 22.309
207 HD11 ILE 29 HD11 ILE 29 21.693 32.583 23.105
208 HD12 ILE 29 HD12 ILE 29 22.827 33.142 21.849
209 HD13 ILE 29 HD13 ILE 29 21.085 33.282 21.589
210 HA PRO 30 HA PRO 30 21.904 27.044 17.912
211 HB2 PRO 30 HB2 PRO 30 20.701 29.528 16.694
212 HB3 PRO 30 HB3 PRO 30 20.321 27.804 16.363
213 HG2 PRO 30 HG2 PRO 30 18.755 29.180 18.056
214 HG3 PRO 30 HG3 PRO 30 19.320 27.544 18.533
215 HD2 PRO 30 HD2 PRO 30 20.442 30.231 19.314
216 HD3 PRO 30 HD3 PRO 30 20.070 28.828 20.359
217 H ARG 31 H ARG 31 23.610 26.586 16.757
218 HA ARG 31 HA ARG 31 24.843 28.452 14.896
219 HB2 ARG 31 HB2 ARG 31 27.158 28.161 15.712
220 HB3 ARG 31 HB3 ARG 31 26.126 29.100 16.776
221 HG2 ARG 31 HG2 ARG 31 25.835 26.981 18.202
222 HG3 ARG 31 HG3 ARG 31 27.119 26.266 17.214
223 HD2 ARG 31 HD2 ARG 31 28.587 28.222 17.857
224 HD3 ARG 31 HD3 ARG 31 27.280 28.786 18.917
225 HE ARG 31 HE ARG 31 28.335 26.029 19.279
226 HH11 ARG 31 HH21 ARG 31 28.201 29.255 20.669
227 HH12 ARG 31 HH22 ARG 31 28.792 28.674 22.210
228 HH21 ARG 31 HH11 ARG 31 29.084 25.418 21.150
229 HH22 ARG 31 HH12 ARG 31 29.476 26.567 22.424
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 17.712 19.445 37.859
2 H2 GLY 1 H2 GLY 1 17.813 20.362 36.493
3 H3 GLY 1 H3 GLY 1 16.395 20.267 37.322
4 HA2 GLY 1 HA2 GLY 1 17.370 21.379 39.223
5 HA3 GLY 1 HA3 GLY 1 18.877 21.493 38.285
6 H SER 2 H SER 2 18.775 23.782 38.493
7 HA SER 2 HA SER 2 16.546 25.364 37.583
8 HB2 SER 2 HB2 SER 2 19.455 26.102 38.041
9 HB3 SER 2 HB3 SER 2 18.133 27.251 37.741
10 HG SER 2 HG SER 2 18.433 27.039 39.923
11 H GLY 3 H GLY 3 15.870 25.407 35.540
12 HA2 GLY 3 HA2 GLY 3 15.865 25.626 33.205
13 HA3 GLY 3 HA3 GLY 3 17.582 26.043 33.262
14 H CYS 4 H CYS 4 19.059 24.283 33.681
15 HA CYS 4 HA CYS 4 18.051 21.538 33.402
16 HB2 CYS 4 HB2 CYS 4 19.190 22.485 31.218
17 HB3 CYS 4 HB3 CYS 4 20.689 22.119 32.066
18 H MET 5 H MET 5 21.275 23.030 33.786
19 HA MET 5 HA MET 5 20.772 23.453 36.588
20 HB2 MET 5 HB2 MET 5 23.384 22.065 35.837
21 HB3 MET 5 HB3 MET 5 22.929 22.676 37.421
22 HG2 MET 5 HG2 MET 5 21.111 20.987 37.538
23 HG3 MET 5 HG3 MET 5 21.615 20.364 35.959
24 HE1 MET 5 HE1 MET 5 21.771 17.982 36.825
25 HE2 MET 5 HE2 MET 5 22.672 17.472 38.268
26 HE3 MET 5 HE3 MET 5 21.243 18.514 38.439
27 H LYS 6 H LYS 6 21.958 25.370 37.264
28 HA LYS 6 HA LYS 6 22.844 27.135 35.166
29 HB2 LYS 6 HB2 LYS 6 21.954 27.898 37.357
30 HB3 LYS 6 HB3 LYS 6 23.412 27.281 38.157
31 HG2 LYS 6 HG2 LYS 6 24.817 28.866 36.901
32 HG3 LYS 6 HG3 LYS 6 23.426 29.380 35.937
33 HD2 LYS 6 HD2 LYS 6 23.946 31.045 37.614
34 HD3 LYS 6 HD3 LYS 6 22.359 30.334 37.947
35 HE2 LYS 6 HE2 LYS 6 23.404 28.875 39.681
36 HE3 LYS 6 HE3 LYS 6 24.983 29.604 39.339
37 HZ1 LYS 6 HZ1 LYS 6 24.123 31.728 40.071
38 HZ2 LYS 6 HZ2 LYS 6 22.608 31.100 40.316
39 HZ3 LYS 6 HZ3 LYS 6 23.867 30.620 41.243
40 H GLU 7 H GLU 7 24.703 25.104 37.457
41 HA GLU 7 HA GLU 7 27.306 25.871 36.598
42 HB2 GLU 7 HB2 GLU 7 26.292 23.229 37.749
43 HB3 GLU 7 HB3 GLU 7 27.979 23.697 37.590
44 HG2 GLU 7 HG2 GLU 7 27.573 24.194 39.797
45 HG3 GLU 7 HG3 GLU 7 27.416 25.766 39.026
46 H TYR 8 H TYR 8 25.212 23.226 35.409
47 HA TYR 8 HA TYR 8 26.974 22.138 33.453
48 HB2 TYR 8 HB2 TYR 8 24.911 21.085 34.308
49 HB3 TYR 8 HB3 TYR 8 23.932 22.316 33.533
50 HD1 TYR 8 HD1 TYR 8 23.602 22.330 31.071
51 HD2 TYR 8 HD2 TYR 8 25.867 19.251 33.072
52 HE1 TYR 8 HE1 TYR 8 23.284 20.827 29.110
53 HE2 TYR 8 HE2 TYR 8 25.534 17.744 31.101
54 HH TYR 8 HH TYR 8 23.655 18.725 28.207
55 H CYS 9 H CYS 9 24.379 24.629 33.083
56 HA CYS 9 HA CYS 9 24.968 25.174 30.340
57 HB2 CYS 9 HB2 CYS 9 23.486 26.666 32.527
58 HB3 CYS 9 HB3 CYS 9 23.615 27.291 30.883
59 H ALA 10 H ALA 10 26.241 26.738 33.316
60 HA ALA 10 HA ALA 10 27.628 28.825 31.936
61 HB1 ALA 10 HB1 ALA 10 28.144 27.553 34.664
62 HB2 ALA 10 HB2 ALA 10 28.795 29.107 34.096
63 HB3 ALA 10 HB3 ALA 10 27.050 28.917 34.327
64 H GLY 11 H GLY 11 28.627 25.509 32.835
65 HA2 GLY 11 HA2 GLY 11 31.364 25.752 31.934
66 HA3 GLY 11 HA3 GLY 11 30.465 24.254 32.210
67 H GLN 12 H GLN 12 28.458 24.243 30.422
68 HA GLN 12 HA GLN 12 29.750 23.513 27.987
69 HB2 GLN 12 HB2 GLN 12 26.825 23.966 28.691
70 HB3 GLN 12 HB3 GLN 12 27.352 23.247 27.181
71 HG2 GLN 12 HG2 GLN 12 28.109 22.042 29.888
72 HG3 GLN 12 HG3 GLN 12 26.596 21.678 29.070
73 HE21 GLN 12 HE22 GLN 12 27.902 19.499 29.510
74 HE22 GLN 12 HE21 GLN 12 28.611 18.881 28.025
75 H CYS 13 H CYS 13 27.882 26.479 28.799
76 HA CYS 13 HA CYS 13 28.403 27.541 26.046
77 HB2 CYS 13 HB2 CYS 13 25.989 28.114 27.768
78 HB3 CYS 13 HB3 CYS 13 26.189 28.402 26.045
79 H ARG 14 H ARG 14 28.610 29.876 25.831
80 HA ARG 14 HA ARG 14 28.723 31.524 28.249
81 HB2 ARG 14 HB2 ARG 14 31.053 32.227 27.965
82 HB3 ARG 14 HB3 ARG 14 30.830 30.561 28.469
83 HG2 ARG 14 HG2 ARG 14 31.350 29.754 26.194
84 HG3 ARG 14 HG3 ARG 14 31.474 31.416 25.610
85 HD2 ARG 14 HD2 ARG 14 33.679 30.412 25.973
86 HD3 ARG 14 HD3 ARG 14 33.421 31.825 27.006
87 HE ARG 14 HE ARG 14 32.755 29.342 28.383
88 HH11 ARG 14 HH11 ARG 14 35.618 31.152 27.332
89 HH12 ARG 14 HH12 ARG 14 36.482 30.704 28.793
90 HH21 ARG 14 HH21 ARG 14 34.125 28.785 30.202
91 HH22 ARG 14 HH22 ARG 14 35.761 29.429 30.162
92 H GLY 15 H GLY 15 29.300 33.681 27.982
93 HA2 GLY 15 HA2 GLY 15 28.545 35.725 27.001
94 HA3 GLY 15 HA3 GLY 15 27.832 34.826 25.649
95 H LYS 16 H LYS 16 26.717 36.612 27.961
96 HA LYS 16 HA LYS 16 25.335 34.937 29.798
97 HB2 LYS 16 HB2 LYS 16 25.822 37.352 30.151
98 HB3 LYS 16 HB3 LYS 16 24.652 37.771 28.902
99 HG2 LYS 16 HG2 LYS 16 23.688 38.117 31.086
100 HG3 LYS 16 HG3 LYS 16 22.816 36.819 30.275
101 HD2 LYS 16 HD2 LYS 16 24.114 35.138 31.615
102 HD3 LYS 16 HD3 LYS 16 24.951 36.459 32.437
103 HE2 LYS 16 HE2 LYS 16 21.957 35.839 32.520
104 HE3 LYS 16 HE3 LYS 16 23.136 35.516 33.797
105 HZ1 LYS 16 HZ1 LYS 16 22.065 37.528 34.369
106 HZ2 LYS 16 HZ2 LYS 16 23.541 37.971 33.847
107 HZ3 LYS 16 HZ3 LYS 16 22.219 38.171 32.865
108 H VAL 17 H VAL 17 24.278 36.138 26.633
109 HA VAL 17 HA VAL 17 21.528 35.205 26.911
110 HB VAL 17 HB VAL 17 23.092 35.934 24.408
111 HG11 VAL 17 HG11 VAL 17 21.119 34.660 23.786
112 HG12 VAL 17 HG12 VAL 17 20.115 35.608 24.906
113 HG13 VAL 17 HG13 VAL 17 20.812 36.362 23.454
114 HG21 VAL 17 HG21 VAL 17 22.944 37.821 26.004
115 HG22 VAL 17 HG22 VAL 17 21.895 38.098 24.611
116 HG23 VAL 17 HG23 VAL 17 21.192 37.557 26.154
117 H SER 18 H SER 18 24.552 33.778 25.617
118 HA SER 18 HA SER 18 23.428 31.428 24.525
119 HB2 SER 18 HB2 SER 18 26.125 31.554 25.875
120 HB3 SER 18 HB3 SER 18 25.643 30.722 24.399
121 HG SER 18 HG SER 18 26.974 32.694 24.302
122 H GLN 19 H GLN 19 24.741 32.129 27.813
123 HA GLN 19 HA GLN 19 23.957 29.595 28.944
124 HB2 GLN 19 HB2 GLN 19 24.555 32.339 30.105
125 HB3 GLN 19 HB3 GLN 19 24.213 30.908 31.107
126 HG2 GLN 19 HG2 GLN 19 26.101 29.711 30.236
127 HG3 GLN 19 HG3 GLN 19 26.385 30.898 28.970
128 HE21 GLN 19 HE22 GLN 19 28.538 30.285 30.294
129 HE22 GLN 19 HE21 GLN 19 28.994 31.601 31.385
130 H ASP 20 H ASP 20 22.180 32.741 28.834
131 HA ASP 20 HA ASP 20 19.918 31.903 30.323
132 HB2 ASP 20 HB2 ASP 20 20.573 34.216 29.825
133 HB3 ASP 20 HB3 ASP 20 20.185 33.970 28.117
134 H TYR 21 H TYR 21 20.570 31.576 26.812
135 HA TYR 21 HA TYR 21 18.086 30.310 26.112
136 HB2 TYR 21 HB2 TYR 21 19.840 31.176 24.538
137 HB3 TYR 21 HB3 TYR 21 20.869 29.824 24.984
138 HD1 TYR 21 HD2 TYR 21 17.812 30.864 23.235
139 HD2 TYR 21 HD1 TYR 21 20.343 27.514 24.178
140 HE1 TYR 21 HE2 TYR 21 16.735 29.552 21.419
141 HE2 TYR 21 HE1 TYR 21 19.255 26.186 22.387
142 HH TYR 21 HH TYR 21 16.725 27.611 20.271
143 H CYS 22 H CYS 22 21.136 28.964 27.475
144 HA CYS 22 HA CYS 22 20.280 26.199 27.238
145 HB2 CYS 22 HB2 CYS 22 22.616 26.850 27.315
146 HB3 CYS 22 HB3 CYS 22 22.426 27.525 28.929
147 H LEU 23 H LEU 23 19.876 28.704 29.719
148 HA LEU 23 HA LEU 23 18.581 27.036 31.658
149 HB2 LEU 23 HB2 LEU 23 19.027 29.916 31.112
150 HB3 LEU 23 HB3 LEU 23 17.522 29.572 31.948
151 HG LEU 23 HG LEU 23 18.694 28.436 33.760
152 HD11 LEU 23 HD11 LEU 23 20.598 27.404 32.595
153 HD12 LEU 23 HD12 LEU 23 21.270 29.009 32.231
154 HD13 LEU 23 HD13 LEU 23 21.173 28.431 33.908
155 HD21 LEU 23 HD21 LEU 23 20.063 31.058 33.032
156 HD22 LEU 23 HD22 LEU 23 18.484 30.904 33.836
157 HD23 LEU 23 HD23 LEU 23 19.954 30.348 34.662
158 H LYS 24 H LYS 24 17.407 27.987 28.563
159 HA LYS 24 HA LYS 24 14.624 27.125 29.308
160 HB2 LYS 24 HB2 LYS 24 15.724 28.506 26.835
161 HB3 LYS 24 HB3 LYS 24 14.076 27.927 26.997
162 HG2 LYS 24 HG2 LYS 24 15.355 30.012 28.814
163 HG3 LYS 24 HG3 LYS 24 14.366 30.380 27.400
164 HD2 LYS 24 HD2 LYS 24 12.444 29.176 28.432
165 HD3 LYS 24 HD3 LYS 24 13.425 28.877 29.879
166 HE2 LYS 24 HE2 LYS 24 13.699 31.308 30.216
167 HE3 LYS 24 HE3 LYS 24 12.701 31.623 28.778
168 HZ1 LYS 24 HZ1 LYS 24 11.401 31.725 30.859
169 HZ2 LYS 24 HZ2 LYS 24 10.861 30.483 29.903
170 HZ3 LYS 24 HZ3 LYS 24 11.794 30.164 31.189
171 H HIS 25 H HIS 25 17.431 26.177 27.497
172 HA HIS 25 HA HIS 25 15.890 23.908 26.264
173 HB2 HIS 25 HB2 HIS 25 18.041 25.764 25.193
174 HB3 HIS 25 HB3 HIS 25 17.579 24.288 24.368
175 HD2 HIS 25 HD2 HIS 25 16.528 27.863 24.671
176 HE1 HIS 25 HE1 HIS 25 13.196 25.900 22.881
177 HE2 HIS 25 HE2 HIS 25 14.200 28.159 23.444
178 H CYS 26 H CYS 26 18.424 24.160 28.493
179 HA CYS 26 HA CYS 26 20.194 22.923 29.069
180 HB2 CYS 26 HB2 CYS 26 18.263 21.223 29.154
181 HB3 CYS 26 HB3 CYS 26 18.974 20.524 27.704
182 H LYS 27 H LYS 27 20.119 24.019 26.149
183 HA LYS 27 HA LYS 27 22.582 22.646 25.119
184 HB2 LYS 27 HB2 LYS 27 20.205 23.660 23.514
185 HB3 LYS 27 HB3 LYS 27 21.677 22.972 22.831
186 HG2 LYS 27 HG2 LYS 27 21.146 20.766 23.696
187 HG3 LYS 27 HG3 LYS 27 19.795 21.396 24.631
188 HD2 LYS 27 HD2 LYS 27 18.968 22.280 22.226
189 HD3 LYS 27 HD3 LYS 27 20.028 20.990 21.656
190 HE2 LYS 27 HE2 LYS 27 17.856 20.019 21.844
191 HE3 LYS 27 HE3 LYS 27 18.774 19.416 23.230
192 HZ1 LYS 27 HZ1 LYS 27 16.633 20.137 23.996
193 HZ2 LYS 27 HZ2 LYS 27 17.705 21.236 24.552
194 HZ3 LYS 27 HZ3 LYS 27 16.769 21.588 23.240
195 H CYS 28 H CYS 28 23.921 24.042 23.779
196 HA CYS 28 HA CYS 28 23.804 26.851 24.562
197 HB2 CYS 28 HB2 CYS 28 25.639 25.539 22.546
198 HB3 CYS 28 HB3 CYS 28 25.824 27.133 23.291
199 H ILE 29 H ILE 29 23.806 28.642 23.070
200 HA ILE 29 HA ILE 29 21.332 28.542 21.676
201 HB ILE 29 HB ILE 29 22.029 30.407 23.043
202 HG12 ILE 29 HG12 ILE 29 21.511 31.262 20.168
203 HG13 ILE 29 HG13 ILE 29 20.293 30.646 21.286
204 HG21 ILE 29 HG21 ILE 29 23.651 32.079 22.312
205 HG22 ILE 29 HG22 ILE 29 24.439 30.516 22.413
206 HG23 ILE 29 HG23 ILE 29 23.982 31.174 20.826
207 HD11 ILE 29 HD11 ILE 29 21.860 33.237 21.528
208 HD12 ILE 29 HD12 ILE 29 20.121 33.032 21.285
209 HD13 ILE 29 HD13 ILE 29 20.856 32.562 22.837
210 HA PRO 30 HA PRO 30 22.816 28.330 17.368
211 HB2 PRO 30 HB2 PRO 30 19.964 28.978 16.762
212 HB3 PRO 30 HB3 PRO 30 20.989 27.668 16.123
213 HG2 PRO 30 HG2 PRO 30 19.017 27.174 17.942
214 HG3 PRO 30 HG3 PRO 30 20.592 26.321 18.039
215 HD2 PRO 30 HD2 PRO 30 19.707 28.791 19.576
216 HD3 PRO 30 HD3 PRO 30 20.454 27.275 20.188
217 H ARG 31 H ARG 31 23.990 30.122 16.972
218 HA ARG 31 HA ARG 31 22.717 32.751 16.516
219 HB2 ARG 31 HB2 ARG 31 24.127 33.967 17.973
220 HB3 ARG 31 HB3 ARG 31 23.404 32.698 18.946
221 HG2 ARG 31 HG2 ARG 31 25.502 31.397 18.872
222 HG3 ARG 31 HG3 ARG 31 26.227 32.567 17.756
223 HD2 ARG 31 HD2 ARG 31 25.938 34.352 19.518
224 HD3 ARG 31 HD3 ARG 31 25.398 33.094 20.626
225 HE ARG 31 HE ARG 31 27.586 32.347 20.880
226 HH11 ARG 31 HH21 ARG 31 27.627 34.563 18.090
227 HH12 ARG 31 HH22 ARG 31 29.402 34.546 18.130
228 HH21 ARG 31 HH11 ARG 31 29.777 32.566 20.812
229 HH22 ARG 31 HH12 ARG 31 30.508 33.436 19.465
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 11.233 24.472 27.592
2 H2 GLY 1 H2 GLY 1 12.646 25.227 28.006
3 H3 GLY 1 H3 GLY 1 11.201 25.963 28.279
4 HA2 GLY 1 HA2 GLY 1 10.570 24.316 29.880
5 HA3 GLY 1 HA3 GLY 1 12.136 23.516 29.607
6 H SER 2 H SER 2 11.460 24.274 32.121
7 HA SER 2 HA SER 2 12.263 26.948 32.826
8 HB2 SER 2 HB2 SER 2 11.794 24.564 34.631
9 HB3 SER 2 HB3 SER 2 11.763 26.277 35.084
10 HG SER 2 HG SER 2 9.703 25.241 34.655
11 H GLY 3 H GLY 3 14.467 25.618 31.512
12 HA2 GLY 3 HA2 GLY 3 16.734 25.478 31.636
13 HA3 GLY 3 HA3 GLY 3 16.674 26.067 33.292
14 H CYS 4 H CYS 4 18.458 24.596 33.545
15 HA CYS 4 HA CYS 4 17.711 21.806 34.187
16 HB2 CYS 4 HB2 CYS 4 19.503 22.645 31.940
17 HB3 CYS 4 HB3 CYS 4 20.146 21.404 33.000
18 H MET 5 H MET 5 20.928 23.292 33.993
19 HA MET 5 HA MET 5 20.911 24.187 36.763
20 HB2 MET 5 HB2 MET 5 22.873 22.054 35.798
21 HB3 MET 5 HB3 MET 5 23.200 23.143 37.143
22 HG2 MET 5 HG2 MET 5 21.145 22.277 38.288
23 HG3 MET 5 HG3 MET 5 20.972 21.102 36.980
24 HE1 MET 5 HE1 MET 5 24.234 22.427 38.962
25 HE2 MET 5 HE2 MET 5 22.910 22.234 40.128
26 HE3 MET 5 HE3 MET 5 24.317 21.160 40.193
27 H LYS 6 H LYS 6 22.034 26.107 36.825
28 HA LYS 6 HA LYS 6 23.265 27.136 34.446
29 HB2 LYS 6 HB2 LYS 6 23.674 29.129 35.646
30 HB3 LYS 6 HB3 LYS 6 22.090 28.490 36.050
31 HG2 LYS 6 HG2 LYS 6 23.146 27.564 38.212
32 HG3 LYS 6 HG3 LYS 6 24.602 28.471 37.775
33 HD2 LYS 6 HD2 LYS 6 23.358 29.878 39.271
34 HD3 LYS 6 HD3 LYS 6 23.140 30.557 37.650
35 HE2 LYS 6 HE2 LYS 6 20.972 29.068 37.571
36 HE3 LYS 6 HE3 LYS 6 21.186 28.911 39.316
37 HZ1 LYS 6 HZ1 LYS 6 21.031 31.321 39.478
38 HZ2 LYS 6 HZ2 LYS 6 20.899 31.466 37.826
39 HZ3 LYS 6 HZ3 LYS 6 19.716 30.725 38.693
40 H GLU 7 H GLU 7 24.712 25.513 37.199
41 HA GLU 7 HA GLU 7 27.470 25.933 36.536
42 HB2 GLU 7 HB2 GLU 7 26.145 23.467 37.773
43 HB3 GLU 7 HB3 GLU 7 27.861 23.834 37.749
44 HG2 GLU 7 HG2 GLU 7 27.384 24.524 39.849
45 HG3 GLU 7 HG3 GLU 7 27.182 26.047 38.989
46 H TYR 8 H TYR 8 25.155 23.446 35.372
47 HA TYR 8 HA TYR 8 27.089 22.097 33.685
48 HB2 TYR 8 HB2 TYR 8 25.076 20.984 34.558
49 HB3 TYR 8 HB3 TYR 8 24.049 22.115 33.695
50 HD1 TYR 8 HD1 TYR 8 27.106 20.232 32.505
51 HD2 TYR 8 HD2 TYR 8 22.849 20.851 32.132
52 HE1 TYR 8 HE1 TYR 8 27.064 18.737 30.531
53 HE2 TYR 8 HE2 TYR 8 22.811 19.314 30.166
54 HH TYR 8 HH TYR 8 25.818 17.787 28.924
55 H CYS 9 H CYS 9 24.521 24.510 33.093
56 HA CYS 9 HA CYS 9 25.022 24.865 30.316
57 HB2 CYS 9 HB2 CYS 9 23.800 26.582 32.478
58 HB3 CYS 9 HB3 CYS 9 23.956 27.173 30.830
59 H ALA 10 H ALA 10 26.648 26.491 33.102
60 HA ALA 10 HA ALA 10 28.307 28.158 31.472
61 HB1 ALA 10 HB1 ALA 10 29.644 28.379 33.540
62 HB2 ALA 10 HB2 ALA 10 27.911 28.565 33.857
63 HB3 ALA 10 HB3 ALA 10 28.733 27.044 34.277
64 H GLY 11 H GLY 11 28.551 24.730 32.282
65 HA2 GLY 11 HA2 GLY 11 31.279 24.351 31.336
66 HA3 GLY 11 HA3 GLY 11 30.048 23.115 31.620
67 H GLN 12 H GLN 12 28.138 24.564 29.760
68 HA GLN 12 HA GLN 12 29.169 23.476 27.184
69 HB2 GLN 12 HB2 GLN 12 26.384 24.323 28.084
70 HB3 GLN 12 HB3 GLN 12 26.794 23.708 26.481
71 HG2 GLN 12 HG2 GLN 12 27.583 21.574 27.551
72 HG3 GLN 12 HG3 GLN 12 26.973 22.175 29.099
73 HE21 GLN 12 HE22 GLN 12 24.652 22.163 29.433
74 HE22 GLN 12 HE21 GLN 12 23.544 21.553 28.208
75 H CYS 13 H CYS 13 28.277 26.552 28.637
76 HA CYS 13 HA CYS 13 28.534 28.012 26.052
77 HB2 CYS 13 HB2 CYS 13 26.197 26.832 26.829
78 HB3 CYS 13 HB3 CYS 13 26.068 28.332 27.723
79 H ARG 14 H ARG 14 28.894 30.244 26.244
80 HA ARG 14 HA ARG 14 28.459 31.609 28.812
81 HB2 ARG 14 HB2 ARG 14 30.706 32.524 28.940
82 HB3 ARG 14 HB3 ARG 14 30.652 30.778 29.170
83 HG2 ARG 14 HG2 ARG 14 31.548 30.363 26.946
84 HG3 ARG 14 HG3 ARG 14 31.390 32.069 26.524
85 HD2 ARG 14 HD2 ARG 14 33.691 31.646 26.976
86 HD3 ARG 14 HD3 ARG 14 33.059 32.648 28.295
87 HE ARG 14 HE ARG 14 32.841 29.966 29.157
88 HH11 ARG 14 HH11 ARG 14 35.475 32.180 28.418
89 HH12 ARG 14 HH12 ARG 14 36.644 31.157 29.212
90 HH21 ARG 14 HH21 ARG 14 34.309 28.819 30.218
91 HH22 ARG 14 HH22 ARG 14 35.995 29.323 30.298
92 H GLY 15 H GLY 15 28.867 33.889 28.781
93 HA2 GLY 15 HA2 GLY 15 28.283 35.968 27.743
94 HA3 GLY 15 HA3 GLY 15 27.749 35.112 26.294
95 H LYS 16 H LYS 16 26.291 36.960 28.067
96 HA LYS 16 HA LYS 16 24.611 35.761 29.998
97 HB2 LYS 16 HB2 LYS 16 25.040 38.202 29.715
98 HB3 LYS 16 HB3 LYS 16 24.134 38.170 28.202
99 HG2 LYS 16 HG2 LYS 16 22.093 37.432 29.564
100 HG3 LYS 16 HG3 LYS 16 23.059 37.715 31.017
101 HD2 LYS 16 HD2 LYS 16 21.659 39.644 30.599
102 HD3 LYS 16 HD3 LYS 16 23.338 40.115 30.287
103 HE2 LYS 16 HE2 LYS 16 22.988 39.850 27.857
104 HE3 LYS 16 HE3 LYS 16 21.358 39.214 28.138
105 HZ1 LYS 16 HZ1 LYS 16 22.243 41.973 28.756
106 HZ2 LYS 16 HZ2 LYS 16 21.304 41.498 27.479
107 HZ3 LYS 16 HZ3 LYS 16 20.734 41.380 29.020
108 H VAL 17 H VAL 17 23.990 36.307 26.533
109 HA VAL 17 HA VAL 17 21.223 35.374 26.660
110 HB VAL 17 HB VAL 17 22.932 36.010 24.238
111 HG11 VAL 17 HG11 VAL 17 20.754 36.449 23.142
112 HG12 VAL 17 HG12 VAL 17 20.886 34.763 23.640
113 HG13 VAL 17 HG13 VAL 17 19.906 35.899 24.600
114 HG21 VAL 17 HG21 VAL 17 22.880 37.968 25.655
115 HG22 VAL 17 HG22 VAL 17 21.712 38.219 24.362
116 HG23 VAL 17 HG23 VAL 17 21.141 37.753 25.977
117 H SER 18 H SER 18 24.371 34.094 25.565
118 HA SER 18 HA SER 18 23.534 31.647 24.484
119 HB2 SER 18 HB2 SER 18 26.068 31.955 26.083
120 HB3 SER 18 HB3 SER 18 25.800 31.142 24.535
121 HG SER 18 HG SER 18 26.980 33.222 24.648
122 H GLN 19 H GLN 19 24.619 32.380 27.889
123 HA GLN 19 HA GLN 19 23.809 29.817 28.920
124 HB2 GLN 19 HB2 GLN 19 24.365 32.541 30.132
125 HB3 GLN 19 HB3 GLN 19 23.880 31.150 31.132
126 HG2 GLN 19 HG2 GLN 19 25.755 29.825 30.373
127 HG3 GLN 19 HG3 GLN 19 26.202 31.028 29.166
128 HE21 GLN 19 HE22 GLN 19 28.178 30.263 30.684
129 HE22 GLN 19 HE21 GLN 19 28.583 31.583 31.796
130 H ASP 20 H ASP 20 21.982 32.901 28.651
131 HA ASP 20 HA ASP 20 19.652 32.081 30.042
132 HB2 ASP 20 HB2 ASP 20 20.010 34.362 29.452
133 HB3 ASP 20 HB3 ASP 20 20.129 33.974 27.736
134 H TYR 21 H TYR 21 20.500 31.616 26.556
135 HA TYR 21 HA TYR 21 18.160 30.146 25.833
136 HB2 TYR 21 HB2 TYR 21 19.973 31.069 24.313
137 HB3 TYR 21 HB3 TYR 21 20.969 29.697 24.779
138 HD1 TYR 21 HD1 TYR 21 20.324 27.374 24.068
139 HD2 TYR 21 HD2 TYR 21 18.126 30.854 22.783
140 HE1 TYR 21 HE1 TYR 21 19.187 26.015 22.312
141 HE2 TYR 21 HE2 TYR 21 16.991 29.505 21.046
142 HH TYR 21 HH TYR 21 16.743 27.474 20.111
143 H CYS 22 H CYS 22 21.172 29.029 27.449
144 HA CYS 22 HA CYS 22 20.383 26.223 27.329
145 HB2 CYS 22 HB2 CYS 22 22.715 27.040 27.433
146 HB3 CYS 22 HB3 CYS 22 22.442 27.611 29.077
147 H LEU 23 H LEU 23 19.870 28.827 29.665
148 HA LEU 23 HA LEU 23 18.416 27.141 31.545
149 HB2 LEU 23 HB2 LEU 23 19.152 30.002 31.169
150 HB3 LEU 23 HB3 LEU 23 17.674 29.674 32.082
151 HG LEU 23 HG LEU 23 18.814 28.324 33.689
152 HD11 LEU 23 HD11 LEU 23 20.543 27.202 32.369
153 HD12 LEU 23 HD12 LEU 23 21.377 28.752 32.085
154 HD13 LEU 23 HD13 LEU 23 21.282 28.052 33.717
155 HD21 LEU 23 HD21 LEU 23 20.354 30.006 34.667
156 HD22 LEU 23 HD22 LEU 23 20.407 30.858 33.102
157 HD23 LEU 23 HD23 LEU 23 18.890 30.755 34.027
158 H LYS 24 H LYS 24 17.568 28.074 28.488
159 HA LYS 24 HA LYS 24 14.630 27.722 29.022
160 HB2 LYS 24 HB2 LYS 24 16.216 28.819 26.681
161 HB3 LYS 24 HB3 LYS 24 14.487 28.487 26.594
162 HG2 LYS 24 HG2 LYS 24 13.953 30.149 28.134
163 HG3 LYS 24 HG3 LYS 24 15.609 30.274 28.762
164 HD2 LYS 24 HD2 LYS 24 16.424 31.331 26.807
165 HD3 LYS 24 HD3 LYS 24 14.984 30.911 25.884
166 HE2 LYS 24 HE2 LYS 24 13.620 32.471 27.104
167 HE3 LYS 24 HE3 LYS 24 14.945 32.838 28.231
168 HZ1 LYS 24 HZ1 LYS 24 16.139 33.901 26.542
169 HZ2 LYS 24 HZ2 LYS 24 15.249 33.247 25.317
170 HZ3 LYS 24 HZ3 LYS 24 14.598 34.419 26.271
171 H HIS 25 H HIS 25 17.388 26.180 27.680
172 HA HIS 25 HA HIS 25 15.733 23.981 26.456
173 HB2 HIS 25 HB2 HIS 25 17.943 25.585 25.101
174 HB3 HIS 25 HB3 HIS 25 17.133 24.185 24.417
175 HD2 HIS 25 HD2 HIS 25 16.737 27.923 24.733
176 HE1 HIS 25 HE1 HIS 25 13.175 26.524 22.870
177 HE2 HIS 25 HE2 HIS 25 14.502 28.602 23.507
178 H CYS 26 H CYS 26 18.316 24.372 28.596
179 HA CYS 26 HA CYS 26 19.939 23.135 29.382
180 HB2 CYS 26 HB2 CYS 26 18.522 20.769 28.167
181 HB3 CYS 26 HB3 CYS 26 19.672 20.752 29.498
182 H LYS 27 H LYS 27 20.283 24.110 26.591
183 HA LYS 27 HA LYS 27 22.882 22.824 25.981
184 HB2 LYS 27 HB2 LYS 27 22.280 22.488 23.630
185 HB3 LYS 27 HB3 LYS 27 21.255 21.550 24.712
186 HG2 LYS 27 HG2 LYS 27 19.497 23.435 24.478
187 HG3 LYS 27 HG3 LYS 27 20.550 24.142 23.258
188 HD2 LYS 27 HD2 LYS 27 18.802 22.890 22.202
189 HD3 LYS 27 HD3 LYS 27 20.365 22.094 21.905
190 HE2 LYS 27 HE2 LYS 27 19.844 20.497 23.771
191 HE3 LYS 27 HE3 LYS 27 18.252 21.251 23.951
192 HZ1 LYS 27 HZ1 LYS 27 17.747 20.529 21.669
193 HZ2 LYS 27 HZ2 LYS 27 19.274 19.923 21.494
194 HZ3 LYS 27 HZ3 LYS 27 18.257 19.239 22.560
195 H CYS 28 H CYS 28 24.109 24.005 24.330
196 HA CYS 28 HA CYS 28 23.914 26.859 24.816
197 HB2 CYS 28 HB2 CYS 28 26.026 25.406 24.636
198 HB3 CYS 28 HB3 CYS 28 25.786 25.498 22.892
199 H ILE 29 H ILE 29 24.034 28.455 23.176
200 HA ILE 29 HA ILE 29 21.578 28.360 21.738
201 HB ILE 29 HB ILE 29 22.334 30.273 22.991
202 HG12 ILE 29 HG12 ILE 29 21.974 31.027 20.060
203 HG13 ILE 29 HG13 ILE 29 20.682 30.543 21.167
204 HG21 ILE 29 HG21 ILE 29 24.443 30.770 20.850
205 HG22 ILE 29 HG22 ILE 29 24.095 31.787 22.259
206 HG23 ILE 29 HG23 ILE 29 24.765 30.175 22.493
207 HD11 ILE 29 HD11 ILE 29 21.310 32.470 22.674
208 HD12 ILE 29 HD12 ILE 29 22.407 33.035 21.385
209 HD13 ILE 29 HD13 ILE 29 20.665 32.929 21.084
210 HA PRO 30 HA PRO 30 23.235 27.283 17.685
211 HB2 PRO 30 HB2 PRO 30 20.976 27.189 16.216
212 HB3 PRO 30 HB3 PRO 30 21.303 26.026 17.517
213 HG2 PRO 30 HG2 PRO 30 19.630 28.549 17.678
214 HG3 PRO 30 HG3 PRO 30 19.172 26.900 18.187
215 HD2 PRO 30 HD2 PRO 30 20.159 28.750 19.939
216 HD3 PRO 30 HD3 PRO 30 20.535 27.004 20.099
217 H ARG 31 H ARG 31 24.334 29.341 17.968
218 HA ARG 31 HA ARG 31 24.011 30.768 15.496
219 HB2 ARG 31 HB2 ARG 31 23.946 32.942 16.121
220 HB3 ARG 31 HB3 ARG 31 22.762 32.204 17.212
221 HG2 ARG 31 HG2 ARG 31 24.308 32.371 19.067
222 HG3 ARG 31 HG3 ARG 31 25.641 32.915 18.058
223 HD2 ARG 31 HD2 ARG 31 23.001 34.382 18.392
224 HD3 ARG 31 HD3 ARG 31 24.484 34.777 19.271
225 HE ARG 31 HE ARG 31 25.376 34.897 16.715
226 HH11 ARG 31 HH22 ARG 31 22.431 36.412 17.990
227 HH12 ARG 31 HH21 ARG 31 22.474 37.613 16.715
228 HH21 ARG 31 HH11 ARG 31 25.392 36.556 15.307
229 HH22 ARG 31 HH12 ARG 31 23.990 37.590 15.176
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 12.152 26.117 28.951
2 H2 GLY 1 H2 GLY 1 11.583 24.660 29.446
3 H3 GLY 1 H3 GLY 1 13.040 25.199 29.981
4 HA2 GLY 1 HA2 GLY 1 10.428 26.415 30.594
5 HA3 GLY 1 HA3 GLY 1 11.379 25.403 31.708
6 H SER 2 H SER 2 12.428 26.621 33.189
7 HA SER 2 HA SER 2 13.384 29.374 32.439
8 HB2 SER 2 HB2 SER 2 13.193 29.903 34.791
9 HB3 SER 2 HB3 SER 2 11.651 29.274 34.189
10 HG SER 2 HG SER 2 12.369 28.430 36.221
11 H GLY 3 H GLY 3 14.502 26.244 33.420
12 HA2 GLY 3 HA2 GLY 3 17.278 27.053 33.209
13 HA3 GLY 3 HA3 GLY 3 16.825 26.649 34.869
14 H CYS 4 H CYS 4 18.745 25.195 33.465
15 HA CYS 4 HA CYS 4 17.388 22.547 33.338
16 HB2 CYS 4 HB2 CYS 4 18.400 23.230 31.130
17 HB3 CYS 4 HB3 CYS 4 19.986 23.067 31.881
18 H MET 5 H MET 5 20.837 23.343 33.644
19 HA MET 5 HA MET 5 20.693 23.216 36.583
20 HB2 MET 5 HB2 MET 5 22.585 21.513 34.923
21 HB3 MET 5 HB3 MET 5 22.780 21.813 36.653
22 HG2 MET 5 HG2 MET 5 20.685 20.699 37.150
23 HG3 MET 5 HG3 MET 5 20.316 20.501 35.438
24 HE1 MET 5 HE1 MET 5 22.675 17.774 34.176
25 HE2 MET 5 HE2 MET 5 21.300 18.836 33.822
26 HE3 MET 5 HE3 MET 5 22.935 19.511 34.007
27 H LYS 6 H LYS 6 21.741 24.973 37.320
28 HA LYS 6 HA LYS 6 22.614 26.852 35.449
29 HB2 LYS 6 HB2 LYS 6 21.556 27.071 37.829
30 HB3 LYS 6 HB3 LYS 6 23.231 27.133 38.389
31 HG2 LYS 6 HG2 LYS 6 23.593 29.083 36.817
32 HG3 LYS 6 HG3 LYS 6 21.905 28.953 36.326
33 HD2 LYS 6 HD2 LYS 6 22.024 30.720 37.898
34 HD3 LYS 6 HD3 LYS 6 21.225 29.382 38.725
35 HE2 LYS 6 HE2 LYS 6 23.271 28.818 39.922
36 HE3 LYS 6 HE3 LYS 6 24.218 29.940 38.937
37 HZ1 LYS 6 HZ1 LYS 6 23.757 30.956 41.029
38 HZ2 LYS 6 HZ2 LYS 6 22.901 31.744 39.879
39 HZ3 LYS 6 HZ3 LYS 6 22.124 30.694 40.899
40 H GLU 7 H GLU 7 24.687 24.647 37.275
41 HA GLU 7 HA GLU 7 27.172 26.003 36.401
42 HB2 GLU 7 HB2 GLU 7 26.592 23.327 37.729
43 HB3 GLU 7 HB3 GLU 7 28.208 23.825 37.253
44 HG2 GLU 7 HG2 GLU 7 26.464 25.449 39.158
45 HG3 GLU 7 HG3 GLU 7 27.660 24.258 39.669
46 H TYR 8 H TYR 8 25.102 23.451 35.140
47 HA TYR 8 HA TYR 8 27.007 22.229 33.361
48 HB2 TYR 8 HB2 TYR 8 24.928 21.186 34.153
49 HB3 TYR 8 HB3 TYR 8 23.973 22.415 33.346
50 HD1 TYR 8 HD1 TYR 8 26.606 19.883 32.490
51 HD2 TYR 8 HD2 TYR 8 22.987 21.897 31.330
52 HE1 TYR 8 HE1 TYR 8 26.425 18.421 30.469
53 HE2 TYR 8 HE2 TYR 8 22.805 20.440 29.341
54 HH TYR 8 HH TYR 8 23.716 18.763 28.159
55 H CYS 9 H CYS 9 24.569 24.810 32.891
56 HA CYS 9 HA CYS 9 25.346 25.335 30.153
57 HB2 CYS 9 HB2 CYS 9 23.766 26.941 32.182
58 HB3 CYS 9 HB3 CYS 9 23.956 27.397 30.490
59 H ALA 10 H ALA 10 26.207 27.008 33.240
60 HA ALA 10 HA ALA 10 27.811 29.005 32.052
61 HB1 ALA 10 HB1 ALA 10 26.926 29.129 34.335
62 HB2 ALA 10 HB2 ALA 10 27.965 27.770 34.839
63 HB3 ALA 10 HB3 ALA 10 28.682 29.318 34.349
64 H GLY 11 H GLY 11 28.732 25.684 32.955
65 HA2 GLY 11 HA2 GLY 11 31.580 26.073 32.580
66 HA3 GLY 11 HA3 GLY 11 30.722 24.539 32.704
67 H GLN 12 H GLN 12 28.995 24.616 30.520
68 HA GLN 12 HA GLN 12 30.807 23.826 28.435
69 HB2 GLN 12 HB2 GLN 12 27.798 24.234 28.466
70 HB3 GLN 12 HB3 GLN 12 28.692 23.557 27.105
71 HG2 GLN 12 HG2 GLN 12 29.458 21.661 28.476
72 HG3 GLN 12 HG3 GLN 12 28.605 22.299 29.882
73 HE21 GLN 12 HE22 GLN 12 26.183 22.659 29.569
74 HE22 GLN 12 HE21 GLN 12 25.326 21.692 28.352
75 H CYS 13 H CYS 13 28.583 26.655 28.647
76 HA CYS 13 HA CYS 13 29.738 27.730 26.098
77 HB2 CYS 13 HB2 CYS 13 26.845 27.466 26.988
78 HB3 CYS 13 HB3 CYS 13 27.350 28.360 25.548
79 H ARG 14 H ARG 14 29.360 30.025 25.733
80 HA ARG 14 HA ARG 14 28.922 31.679 28.166
81 HB2 ARG 14 HB2 ARG 14 31.435 32.051 26.560
82 HB3 ARG 14 HB3 ARG 14 30.969 32.807 28.079
83 HG2 ARG 14 HG2 ARG 14 31.262 30.643 29.267
84 HG3 ARG 14 HG3 ARG 14 31.760 29.887 27.728
85 HD2 ARG 14 HD2 ARG 14 33.560 31.619 27.525
86 HD3 ARG 14 HD3 ARG 14 33.165 32.163 29.170
87 HE ARG 14 HE ARG 14 33.565 29.479 29.525
88 HH11 ARG 14 HH11 ARG 14 35.577 32.002 28.155
89 HH12 ARG 14 HH12 ARG 14 37.049 31.075 28.323
90 HH21 ARG 14 HH21 ARG 14 35.533 28.449 29.916
91 HH22 ARG 14 HH22 ARG 14 37.014 29.217 29.373
92 H GLY 15 H GLY 15 29.188 33.944 27.765
93 HA2 GLY 15 HA2 GLY 15 28.193 35.818 26.578
94 HA3 GLY 15 HA3 GLY 15 27.483 34.667 25.430
95 H LYS 16 H LYS 16 26.499 36.571 27.777
96 HA LYS 16 HA LYS 16 25.426 34.796 29.799
97 HB2 LYS 16 HB2 LYS 16 26.120 37.305 29.920
98 HB3 LYS 16 HB3 LYS 16 24.489 37.644 29.321
99 HG2 LYS 16 HG2 LYS 16 23.522 36.478 31.285
100 HG3 LYS 16 HG3 LYS 16 25.154 35.991 31.807
101 HD2 LYS 16 HD2 LYS 16 25.749 38.444 31.956
102 HD3 LYS 16 HD3 LYS 16 24.039 38.822 31.665
103 HE2 LYS 16 HE2 LYS 16 23.453 37.468 33.708
104 HE3 LYS 16 HE3 LYS 16 25.181 37.179 33.977
105 HZ1 LYS 16 HZ1 LYS 16 23.793 39.796 34.023
106 HZ2 LYS 16 HZ2 LYS 16 24.491 39.045 35.303
107 HZ3 LYS 16 HZ3 LYS 16 25.412 39.670 34.076
108 H VAL 17 H VAL 17 24.243 35.842 26.732
109 HA VAL 17 HA VAL 17 21.484 34.925 27.222
110 HB VAL 17 HB VAL 17 22.616 35.951 24.611
111 HG11 VAL 17 HG11 VAL 17 20.226 36.464 24.160
112 HG12 VAL 17 HG12 VAL 17 20.503 34.731 24.363
113 HG13 VAL 17 HG13 VAL 17 19.776 35.676 25.689
114 HG21 VAL 17 HG21 VAL 17 22.890 37.733 26.273
115 HG22 VAL 17 HG22 VAL 17 21.517 38.113 25.235
116 HG23 VAL 17 HG23 VAL 17 21.234 37.468 26.870
117 H SER 18 H SER 18 24.483 33.793 25.641
118 HA SER 18 HA SER 18 23.379 31.373 24.511
119 HB2 SER 18 HB2 SER 18 25.752 32.175 24.113
120 HB3 SER 18 HB3 SER 18 26.142 31.667 25.750
121 HG SER 18 HG SER 18 26.334 30.231 23.722
122 H GLN 19 H GLN 19 24.902 32.010 27.696
123 HA GLN 19 HA GLN 19 24.124 29.591 28.967
124 HB2 GLN 19 HB2 GLN 19 24.660 32.400 30.000
125 HB3 GLN 19 HB3 GLN 19 24.372 31.019 31.080
126 HG2 GLN 19 HG2 GLN 19 26.269 29.811 30.273
127 HG3 GLN 19 HG3 GLN 19 26.485 30.878 28.880
128 HE21 GLN 19 HE22 GLN 19 28.660 30.351 30.242
129 HE22 GLN 19 HE21 GLN 19 29.179 31.768 31.143
130 H ASP 20 H ASP 20 22.190 32.662 28.740
131 HA ASP 20 HA ASP 20 19.967 31.718 30.238
132 HB2 ASP 20 HB2 ASP 20 20.344 34.082 29.621
133 HB3 ASP 20 HB3 ASP 20 20.034 33.657 27.905
134 H TYR 21 H TYR 21 20.658 31.364 26.725
135 HA TYR 21 HA TYR 21 18.139 30.126 26.095
136 HB2 TYR 21 HB2 TYR 21 19.698 31.215 24.466
137 HB3 TYR 21 HB3 TYR 21 20.808 29.874 24.672
138 HD1 TYR 21 HD2 TYR 21 17.495 30.896 23.315
139 HD2 TYR 21 HD1 TYR 21 20.357 27.702 23.683
140 HE1 TYR 21 HE2 TYR 21 16.257 29.592 21.595
141 HE2 TYR 21 HE1 TYR 21 19.153 26.410 21.923
142 HH TYR 21 HH TYR 21 16.060 27.552 20.559
143 H CYS 22 H CYS 22 21.269 28.839 27.211
144 HA CYS 22 HA CYS 22 20.419 26.041 27.074
145 HB2 CYS 22 HB2 CYS 22 22.735 26.620 26.922
146 HB3 CYS 22 HB3 CYS 22 22.701 27.470 28.464
147 H LEU 23 H LEU 23 20.208 28.551 29.614
148 HA LEU 23 HA LEU 23 19.000 26.803 31.550
149 HB2 LEU 23 HB2 LEU 23 19.379 29.695 31.062
150 HB3 LEU 23 HB3 LEU 23 17.915 29.321 31.970
151 HG LEU 23 HG LEU 23 19.121 28.287 33.752
152 HD11 LEU 23 HD11 LEU 23 20.883 27.031 32.631
153 HD12 LEU 23 HD12 LEU 23 21.652 28.537 32.070
154 HD13 LEU 23 HD13 LEU 23 21.610 28.129 33.794
155 HD21 LEU 23 HD21 LEU 23 19.140 30.785 33.669
156 HD22 LEU 23 HD22 LEU 23 20.526 30.112 34.535
157 HD23 LEU 23 HD23 LEU 23 20.727 30.728 32.877
158 H LYS 24 H LYS 24 17.471 28.824 28.981
159 HA LYS 24 HA LYS 24 14.814 27.876 29.550
160 HB2 LYS 24 HB2 LYS 24 16.048 29.189 27.096
161 HB3 LYS 24 HB3 LYS 24 14.314 28.801 27.246
162 HG2 LYS 24 HG2 LYS 24 14.200 30.153 29.310
163 HG3 LYS 24 HG3 LYS 24 15.895 30.613 29.100
164 HD2 LYS 24 HD2 LYS 24 15.405 31.758 27.009
165 HD3 LYS 24 HD3 LYS 24 13.748 31.118 27.004
166 HE2 LYS 24 HE2 LYS 24 13.722 33.444 27.671
167 HE3 LYS 24 HE3 LYS 24 13.172 32.421 28.995
168 HZ1 LYS 24 HZ1 LYS 24 14.790 34.235 29.570
169 HZ2 LYS 24 HZ2 LYS 24 15.233 32.746 30.119
170 HZ3 LYS 24 HZ3 LYS 24 15.961 33.404 28.813
171 H HIS 25 H HIS 25 17.234 26.522 27.380
172 HA HIS 25 HA HIS 25 15.289 24.394 26.551
173 HB2 HIS 25 HB2 HIS 25 17.353 25.871 24.876
174 HB3 HIS 25 HB3 HIS 25 16.295 24.597 24.304
175 HD2 HIS 25 HD2 HIS 25 16.327 28.316 25.037
176 HE1 HIS 25 HE1 HIS 25 12.373 27.428 23.732
177 HE2 HIS 25 HE2 HIS 25 14.000 29.314 24.300
178 H CYS 26 H CYS 26 18.073 24.525 28.324
179 HA CYS 26 HA CYS 26 19.754 23.188 28.815
180 HB2 CYS 26 HB2 CYS 26 17.665 21.758 29.226
181 HB3 CYS 26 HB3 CYS 26 18.259 20.776 27.880
182 H LYS 27 H LYS 27 19.535 23.988 25.855
183 HA LYS 27 HA LYS 27 22.036 22.656 25.003
184 HB2 LYS 27 HB2 LYS 27 21.261 22.592 22.690
185 HB3 LYS 27 HB3 LYS 27 20.255 21.612 23.731
186 HG2 LYS 27 HG2 LYS 27 18.636 23.690 23.802
187 HG3 LYS 27 HG3 LYS 27 19.655 24.341 22.524
188 HD2 LYS 27 HD2 LYS 27 17.794 23.395 21.437
189 HD3 LYS 27 HD3 LYS 27 19.134 22.298 21.150
190 HE2 LYS 27 HE2 LYS 27 17.252 20.936 21.607
191 HE3 LYS 27 HE3 LYS 27 18.254 20.847 23.053
192 HZ1 LYS 27 HZ1 LYS 27 16.732 22.364 24.149
193 HZ2 LYS 27 HZ2 LYS 27 15.868 22.641 22.775
194 HZ3 LYS 27 HZ3 LYS 27 15.856 21.178 23.512
195 H CYS 28 H CYS 28 23.369 23.976 23.757
196 HA CYS 28 HA CYS 28 23.163 26.786 24.582
197 HB2 CYS 28 HB2 CYS 28 25.292 25.446 22.892
198 HB3 CYS 28 HB3 CYS 28 25.357 27.077 23.576
199 H ILE 29 H ILE 29 23.447 28.631 23.155
200 HA ILE 29 HA ILE 29 21.217 28.831 21.527
201 HB ILE 29 HB ILE 29 22.294 30.563 22.860
202 HG12 ILE 29 HG12 ILE 29 21.859 31.595 20.053
203 HG13 ILE 29 HG13 ILE 29 20.556 31.125 21.169
204 HG21 ILE 29 HG21 ILE 29 24.197 31.830 22.119
205 HG22 ILE 29 HG22 ILE 29 24.632 30.124 22.051
206 HG23 ILE 29 HG23 ILE 29 24.227 30.989 20.553
207 HD11 ILE 29 HD11 ILE 29 21.348 32.804 22.811
208 HD12 ILE 29 HD12 ILE 29 22.586 33.348 21.649
209 HD13 ILE 29 HD13 ILE 29 20.872 33.523 21.258
210 HA PRO 30 HA PRO 30 21.782 26.880 17.987
211 HB2 PRO 30 HB2 PRO 30 20.746 29.177 16.317
212 HB3 PRO 30 HB3 PRO 30 20.264 27.453 16.274
213 HG2 PRO 30 HG2 PRO 30 18.743 29.211 17.633
214 HG3 PRO 30 HG3 PRO 30 19.158 27.643 18.398
215 HD2 PRO 30 HD2 PRO 30 20.434 30.335 18.828
216 HD3 PRO 30 HD3 PRO 30 19.921 29.115 20.031
217 H ARG 31 H ARG 31 22.895 26.271 16.207
218 HA ARG 31 HA ARG 31 24.989 28.020 15.055
219 HB2 ARG 31 HB2 ARG 31 26.720 26.366 15.369
220 HB3 ARG 31 HB3 ARG 31 26.062 26.881 16.916
221 HG2 ARG 31 HG2 ARG 31 24.783 24.789 17.121
222 HG3 ARG 31 HG3 ARG 31 25.319 24.269 15.507
223 HD2 ARG 31 HD2 ARG 31 27.648 24.246 16.237
224 HD3 ARG 31 HD3 ARG 31 27.192 24.860 17.838
225 HE ARG 31 HE ARG 31 25.719 22.597 17.764
226 HH11 ARG 31 HH11 ARG 31 29.179 22.950 17.012
227 HH12 ARG 31 HH12 ARG 31 29.436 21.300 17.541
228 HH21 ARG 31 HH21 ARG 31 26.249 20.598 18.343
229 HH22 ARG 31 HH22 ARG 31 27.940 20.080 18.287
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 15.182 21.905 39.023
2 H2 GLY 1 H2 GLY 1 16.093 23.233 39.370
3 H3 GLY 1 H3 GLY 1 16.184 22.515 37.888
4 HA2 GLY 1 HA2 GLY 1 13.964 23.147 37.329
5 HA3 GLY 1 HA3 GLY 1 13.753 23.793 38.972
6 H SER 2 H SER 2 13.149 25.752 37.488
7 HA SER 2 HA SER 2 13.636 27.795 36.622
8 HB2 SER 2 HB2 SER 2 15.920 27.695 38.605
9 HB3 SER 2 HB3 SER 2 15.112 29.146 37.977
10 HG SER 2 HG SER 2 13.269 28.599 39.040
11 H GLY 3 H GLY 3 14.584 25.895 34.905
12 HA2 GLY 3 HA2 GLY 3 15.934 26.091 32.900
13 HA3 GLY 3 HA3 GLY 3 17.240 26.805 33.855
14 H CYS 4 H CYS 4 18.269 24.888 32.526
15 HA CYS 4 HA CYS 4 17.643 22.232 33.342
16 HB2 CYS 4 HB2 CYS 4 18.623 23.081 31.159
17 HB3 CYS 4 HB3 CYS 4 20.190 23.123 31.945
18 H MET 5 H MET 5 20.905 23.577 33.677
19 HA MET 5 HA MET 5 20.907 23.592 36.561
20 HB2 MET 5 HB2 MET 5 22.659 21.613 35.058
21 HB3 MET 5 HB3 MET 5 23.152 22.322 36.599
22 HG2 MET 5 HG2 MET 5 20.949 21.444 37.552
23 HG3 MET 5 HG3 MET 5 20.758 20.559 36.030
24 HE1 MET 5 HE1 MET 5 23.847 21.235 38.500
25 HE2 MET 5 HE2 MET 5 22.463 20.724 39.497
26 HE3 MET 5 HE3 MET 5 23.879 19.661 39.323
27 H LYS 6 H LYS 6 22.143 25.329 37.150
28 HA LYS 6 HA LYS 6 23.042 27.160 35.068
29 HB2 LYS 6 HB2 LYS 6 23.151 27.213 38.110
30 HB3 LYS 6 HB3 LYS 6 23.706 28.547 37.095
31 HG2 LYS 6 HG2 LYS 6 21.527 28.907 36.159
32 HG3 LYS 6 HG3 LYS 6 20.870 27.451 36.905
33 HD2 LYS 6 HD2 LYS 6 21.952 29.811 38.491
34 HD3 LYS 6 HD3 LYS 6 20.263 29.661 38.032
35 HE2 LYS 6 HE2 LYS 6 21.742 27.539 39.646
36 HE3 LYS 6 HE3 LYS 6 20.895 28.896 40.393
37 HZ1 LYS 6 HZ1 LYS 6 19.581 26.900 38.629
38 HZ2 LYS 6 HZ2 LYS 6 19.484 26.938 40.276
39 HZ3 LYS 6 HZ3 LYS 6 18.857 28.157 39.374
40 H GLU 7 H GLU 7 24.719 25.093 37.407
41 HA GLU 7 HA GLU 7 27.405 26.072 36.801
42 HB2 GLU 7 HB2 GLU 7 26.275 23.606 38.165
43 HB3 GLU 7 HB3 GLU 7 27.982 23.708 37.771
44 HG2 GLU 7 HG2 GLU 7 27.691 24.401 40.051
45 HG3 GLU 7 HG3 GLU 7 28.244 25.758 39.093
46 H TYR 8 H TYR 8 25.597 23.165 35.752
47 HA TYR 8 HA TYR 8 27.350 22.172 33.823
48 HB2 TYR 8 HB2 TYR 8 25.315 21.025 34.569
49 HB3 TYR 8 HB3 TYR 8 24.323 22.303 33.875
50 HD1 TYR 8 HD1 TYR 8 26.879 19.760 32.899
51 HD2 TYR 8 HD2 TYR 8 23.447 22.081 31.718
52 HE1 TYR 8 HE1 TYR 8 26.811 18.552 30.701
53 HE2 TYR 8 HE2 TYR 8 23.355 20.853 29.552
54 HH TYR 8 HH TYR 8 24.261 19.224 28.279
55 H CYS 9 H CYS 9 24.652 24.527 33.255
56 HA CYS 9 HA CYS 9 25.231 24.976 30.528
57 HB2 CYS 9 HB2 CYS 9 23.747 26.550 32.641
58 HB3 CYS 9 HB3 CYS 9 23.959 27.193 31.021
59 H ALA 10 H ALA 10 26.702 26.613 33.383
60 HA ALA 10 HA ALA 10 28.050 28.601 31.796
61 HB1 ALA 10 HB1 ALA 10 29.384 28.942 33.838
62 HB2 ALA 10 HB2 ALA 10 27.655 28.817 34.216
63 HB3 ALA 10 HB3 ALA 10 28.736 27.441 34.532
64 H GLY 11 H GLY 11 28.902 25.241 32.605
65 HA2 GLY 11 HA2 GLY 11 31.614 25.421 31.489
66 HA3 GLY 11 HA3 GLY 11 30.760 23.966 32.005
67 H GLN 12 H GLN 12 28.414 24.573 30.240
68 HA GLN 12 HA GLN 12 29.483 23.523 27.695
69 HB2 GLN 12 HB2 GLN 12 26.656 24.284 28.541
70 HB3 GLN 12 HB3 GLN 12 27.096 23.530 27.010
71 HG2 GLN 12 HG2 GLN 12 27.350 22.289 29.773
72 HG3 GLN 12 HG3 GLN 12 26.183 21.882 28.526
73 HE21 GLN 12 HE22 GLN 12 29.022 20.833 29.920
74 HE22 GLN 12 HE21 GLN 12 29.575 19.830 28.577
75 H CYS 13 H CYS 13 27.884 26.535 28.816
76 HA CYS 13 HA CYS 13 28.207 27.728 26.107
77 HB2 CYS 13 HB2 CYS 13 25.887 28.031 28.034
78 HB3 CYS 13 HB3 CYS 13 25.957 28.540 26.360
79 H ARG 14 H ARG 14 28.490 29.963 25.952
80 HA ARG 14 HA ARG 14 29.173 31.409 28.488
81 HB2 ARG 14 HB2 ARG 14 30.861 31.434 25.997
82 HB3 ARG 14 HB3 ARG 14 31.253 32.123 27.563
83 HG2 ARG 14 HG2 ARG 14 31.097 29.140 26.903
84 HG3 ARG 14 HG3 ARG 14 32.569 30.069 27.036
85 HD2 ARG 14 HD2 ARG 14 30.639 29.568 29.332
86 HD3 ARG 14 HD3 ARG 14 32.126 28.673 29.023
87 HE ARG 14 HE ARG 14 32.808 31.422 29.177
88 HH11 ARG 14 HH11 ARG 14 31.545 28.994 31.395
89 HH12 ARG 14 HH12 ARG 14 32.320 29.753 32.767
90 HH21 ARG 14 HH21 ARG 14 33.585 32.367 30.882
91 HH22 ARG 14 HH22 ARG 14 33.190 31.804 32.509
92 H GLY 15 H GLY 15 29.357 33.608 28.403
93 HA2 GLY 15 HA2 GLY 15 28.495 35.709 27.895
94 HA3 GLY 15 HA3 GLY 15 27.944 35.154 26.313
95 H LYS 16 H LYS 16 26.487 36.685 28.214
96 HA LYS 16 HA LYS 16 24.730 35.281 29.954
97 HB2 LYS 16 HB2 LYS 16 25.198 37.696 30.042
98 HB3 LYS 16 HB3 LYS 16 24.447 37.931 28.467
99 HG2 LYS 16 HG2 LYS 16 23.004 38.684 30.244
100 HG3 LYS 16 HG3 LYS 16 22.247 37.342 29.387
101 HD2 LYS 16 HD2 LYS 16 22.736 35.811 31.232
102 HD3 LYS 16 HD3 LYS 16 23.751 37.045 32.022
103 HE2 LYS 16 HE2 LYS 16 21.767 38.542 32.177
104 HE3 LYS 16 HE3 LYS 16 20.749 37.268 31.495
105 HZ1 LYS 16 HZ1 LYS 16 22.340 36.855 33.959
106 HZ2 LYS 16 HZ2 LYS 16 20.825 37.517 33.984
107 HZ3 LYS 16 HZ3 LYS 16 21.031 35.982 33.443
108 H VAL 17 H VAL 17 24.353 36.042 26.473
109 HA VAL 17 HA VAL 17 21.576 35.196 26.518
110 HB VAL 17 HB VAL 17 22.500 36.962 25.039
111 HG11 VAL 17 HG11 VAL 17 23.370 34.664 23.230
112 HG12 VAL 17 HG12 VAL 17 23.389 36.395 22.859
113 HG13 VAL 17 HG13 VAL 17 24.467 35.758 24.102
114 HG21 VAL 17 HG21 VAL 17 20.917 34.776 23.672
115 HG22 VAL 17 HG22 VAL 17 20.251 35.993 24.784
116 HG23 VAL 17 HG23 VAL 17 20.952 36.495 23.233
117 H SER 18 H SER 18 24.580 33.550 25.535
118 HA SER 18 HA SER 18 23.206 31.167 24.582
119 HB2 SER 18 HB2 SER 18 25.583 31.862 24.006
120 HB3 SER 18 HB3 SER 18 26.033 31.325 25.639
121 HG SER 18 HG SER 18 26.360 29.684 24.212
122 H GLN 19 H GLN 19 24.822 32.036 27.735
123 HA GLN 19 HA GLN 19 23.899 29.720 29.129
124 HB2 GLN 19 HB2 GLN 19 24.480 32.551 30.070
125 HB3 GLN 19 HB3 GLN 19 24.077 31.216 31.172
126 HG2 GLN 19 HG2 GLN 19 25.955 29.884 30.363
127 HG3 GLN 19 HG3 GLN 19 26.346 31.087 29.137
128 HE21 GLN 19 HE22 GLN 19 28.425 30.490 30.401
129 HE22 GLN 19 HE21 GLN 19 28.856 31.744 31.586
130 H ASP 20 H ASP 20 22.087 32.814 28.616
131 HA ASP 20 HA ASP 20 19.747 32.072 30.049
132 HB2 ASP 20 HB2 ASP 20 20.061 34.331 29.472
133 HB3 ASP 20 HB3 ASP 20 20.302 33.967 27.761
134 H TYR 21 H TYR 21 20.573 31.533 26.579
135 HA TYR 21 HA TYR 21 18.191 30.118 25.899
136 HB2 TYR 21 HB2 TYR 21 20.111 30.967 24.411
137 HB3 TYR 21 HB3 TYR 21 20.952 29.482 24.811
138 HD1 TYR 21 HD2 TYR 21 19.954 27.239 23.977
139 HD2 TYR 21 HD1 TYR 21 18.253 31.080 22.968
140 HE1 TYR 21 HE2 TYR 21 18.596 26.186 22.181
141 HE2 TYR 21 HE1 TYR 21 16.934 30.017 21.158
142 HH TYR 21 HH TYR 21 16.609 28.124 19.940
143 H CYS 22 H CYS 22 21.278 28.895 27.275
144 HA CYS 22 HA CYS 22 20.490 26.125 27.327
145 HB2 CYS 22 HB2 CYS 22 22.801 27.001 27.412
146 HB3 CYS 22 HB3 CYS 22 22.523 27.600 29.044
147 H LEU 23 H LEU 23 19.810 28.774 29.509
148 HA LEU 23 HA LEU 23 18.587 27.108 31.565
149 HB2 LEU 23 HB2 LEU 23 19.231 29.949 31.000
150 HB3 LEU 23 HB3 LEU 23 17.749 29.710 31.909
151 HG LEU 23 HG LEU 23 18.889 28.560 33.691
152 HD11 LEU 23 HD11 LEU 23 21.352 28.266 33.751
153 HD12 LEU 23 HD12 LEU 23 20.612 27.268 32.496
154 HD13 LEU 23 HD13 LEU 23 21.451 28.767 32.054
155 HD21 LEU 23 HD21 LEU 23 18.964 31.048 33.631
156 HD22 LEU 23 HD22 LEU 23 20.354 30.351 34.487
157 HD23 LEU 23 HD23 LEU 23 20.538 30.968 32.825
158 H LYS 24 H LYS 24 17.448 27.889 28.503
159 HA LYS 24 HA LYS 24 14.620 27.276 29.370
160 HB2 LYS 24 HB2 LYS 24 15.686 29.018 27.111
161 HB3 LYS 24 HB3 LYS 24 14.005 28.449 27.171
162 HG2 LYS 24 HG2 LYS 24 13.668 29.509 29.326
163 HG3 LYS 24 HG3 LYS 24 15.356 30.016 29.393
164 HD2 LYS 24 HD2 LYS 24 13.458 30.956 27.208
165 HD3 LYS 24 HD3 LYS 24 13.701 31.800 28.751
166 HE2 LYS 24 HE2 LYS 24 16.177 31.832 28.284
167 HE3 LYS 24 HE3 LYS 24 15.851 31.213 26.665
168 HZ1 LYS 24 HZ1 LYS 24 14.700 33.195 26.135
169 HZ2 LYS 24 HZ2 LYS 24 14.678 33.731 27.699
170 HZ3 LYS 24 HZ3 LYS 24 16.103 33.639 26.871
171 H HIS 25 H HIS 25 17.249 26.313 27.451
172 HA HIS 25 HA HIS 25 15.665 24.140 26.098
173 HB2 HIS 25 HB2 HIS 25 17.765 25.928 24.835
174 HB3 HIS 25 HB3 HIS 25 16.905 24.621 24.037
175 HD2 HIS 25 HD2 HIS 25 16.435 28.258 25.169
176 HE1 HIS 25 HE1 HIS 25 13.091 27.277 22.726
177 HE2 HIS 25 HE2 HIS 25 14.328 29.175 23.882
178 H CYS 26 H CYS 26 18.123 24.463 28.282
179 HA CYS 26 HA CYS 26 20.070 23.452 28.751
180 HB2 CYS 26 HB2 CYS 26 18.142 21.874 29.271
181 HB3 CYS 26 HB3 CYS 26 18.730 20.899 27.924
182 H LYS 27 H LYS 27 20.319 24.450 26.092
183 HA LYS 27 HA LYS 27 22.797 23.040 25.387
184 HB2 LYS 27 HB2 LYS 27 22.222 22.976 22.981
185 HB3 LYS 27 HB3 LYS 27 21.187 21.932 23.948
186 HG2 LYS 27 HG2 LYS 27 19.439 23.832 23.905
187 HG3 LYS 27 HG3 LYS 27 20.506 24.680 22.802
188 HD2 LYS 27 HD2 LYS 27 18.715 23.547 21.635
189 HD3 LYS 27 HD3 LYS 27 20.299 22.940 21.160
190 HE2 LYS 27 HE2 LYS 27 18.811 21.064 21.284
191 HE3 LYS 27 HE3 LYS 27 19.966 20.930 22.609
192 HZ1 LYS 27 HZ1 LYS 27 17.191 21.958 22.846
193 HZ2 LYS 27 HZ2 LYS 27 17.671 20.482 23.339
194 HZ3 LYS 27 HZ3 LYS 27 18.213 21.825 24.103
195 H CYS 28 H CYS 28 24.099 24.362 23.844
196 HA CYS 28 HA CYS 28 23.892 27.192 24.555
197 HB2 CYS 28 HB2 CYS 28 25.794 25.914 22.581
198 HB3 CYS 28 HB3 CYS 28 25.956 27.470 23.387
199 H ILE 29 H ILE 29 23.624 28.960 23.189
200 HA ILE 29 HA ILE 29 21.289 28.735 21.714
201 HB ILE 29 HB ILE 29 21.994 30.686 22.916
202 HG12 ILE 29 HG12 ILE 29 21.469 31.476 20.040
203 HG13 ILE 29 HG13 ILE 29 20.255 30.769 21.110
204 HG21 ILE 29 HG21 ILE 29 23.834 31.440 20.618
205 HG22 ILE 29 HG22 ILE 29 23.611 32.279 22.168
206 HG23 ILE 29 HG23 ILE 29 24.408 30.706 22.121
207 HD11 ILE 29 HD11 ILE 29 19.976 33.152 21.139
208 HD12 ILE 29 HD12 ILE 29 20.594 32.635 22.721
209 HD13 ILE 29 HD13 ILE 29 21.682 33.414 21.543
210 HA PRO 30 HA PRO 30 22.544 27.510 17.651
211 HB2 PRO 30 HB2 PRO 30 20.087 29.033 16.779
212 HB3 PRO 30 HB3 PRO 30 20.655 27.421 16.248
213 HG2 PRO 30 HG2 PRO 30 18.699 27.599 18.096
214 HG3 PRO 30 HG3 PRO 30 20.053 26.455 18.381
215 HD2 PRO 30 HD2 PRO 30 19.690 29.250 19.494
216 HD3 PRO 30 HD3 PRO 30 20.165 27.738 20.330
217 H ARG 31 H ARG 31 23.397 28.222 15.688
218 HA ARG 31 HA ARG 31 23.432 31.100 14.999
219 HB2 ARG 31 HB2 ARG 31 25.799 31.184 14.679
220 HB3 ARG 31 HB3 ARG 31 25.432 30.749 16.345
221 HG2 ARG 31 HG2 ARG 31 25.875 28.325 15.737
222 HG3 ARG 31 HG3 ARG 31 26.430 28.874 14.148
223 HD2 ARG 31 HD2 ARG 31 27.571 29.733 16.842
224 HD3 ARG 31 HD3 ARG 31 28.258 28.483 15.786
225 HE ARG 31 HE ARG 31 27.937 31.089 14.479
226 HH11 ARG 31 HH11 ARG 31 30.123 29.418 16.657
227 HH12 ARG 31 HH12 ARG 31 31.509 30.296 16.039
228 HH21 ARG 31 HH21 ARG 31 29.600 32.201 13.892
229 HH22 ARG 31 HH22 ARG 31 31.174 31.997 14.658
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 18.637 23.144 37.766
2 H2 GLY 1 H2 GLY 1 17.103 23.547 38.157
3 H3 GLY 1 H3 GLY 1 18.095 22.890 39.300
4 HA2 GLY 1 HA2 GLY 1 17.864 25.257 39.676
5 HA3 GLY 1 HA3 GLY 1 19.530 24.818 39.238
6 H SER 2 H SER 2 16.479 26.126 37.997
7 HA SER 2 HA SER 2 15.852 27.244 36.243
8 HB2 SER 2 HB2 SER 2 17.210 29.064 35.319
9 HB3 SER 2 HB3 SER 2 17.048 29.071 37.076
10 HG SER 2 HG SER 2 19.213 27.651 36.408
11 H GLY 3 H GLY 3 15.218 26.255 34.504
12 HA2 GLY 3 HA2 GLY 3 15.255 25.324 32.377
13 HA3 GLY 3 HA3 GLY 3 16.959 25.810 32.242
14 H CYS 4 H CYS 4 18.506 24.472 33.323
15 HA CYS 4 HA CYS 4 17.739 21.717 34.047
16 HB2 CYS 4 HB2 CYS 4 19.536 22.450 31.782
17 HB3 CYS 4 HB3 CYS 4 20.138 21.215 32.870
18 H MET 5 H MET 5 20.993 23.296 33.862
19 HA MET 5 HA MET 5 20.909 23.873 36.732
20 HB2 MET 5 HB2 MET 5 22.908 21.898 35.567
21 HB3 MET 5 HB3 MET 5 23.115 22.727 37.110
22 HG2 MET 5 HG2 MET 5 21.013 21.666 37.931
23 HG3 MET 5 HG3 MET 5 20.869 20.816 36.385
24 HE1 MET 5 HE1 MET 5 22.644 21.050 39.813
25 HE2 MET 5 HE2 MET 5 24.004 19.918 39.654
26 HE3 MET 5 HE3 MET 5 24.040 21.469 38.792
27 H LYS 6 H LYS 6 22.112 25.586 37.241
28 HA LYS 6 HA LYS 6 23.120 27.401 35.285
29 HB2 LYS 6 HB2 LYS 6 23.856 27.209 38.239
30 HB3 LYS 6 HB3 LYS 6 24.064 28.621 37.197
31 HG2 LYS 6 HG2 LYS 6 21.544 28.626 36.874
32 HG3 LYS 6 HG3 LYS 6 21.441 27.394 38.144
33 HD2 LYS 6 HD2 LYS 6 22.574 30.199 38.419
34 HD3 LYS 6 HD3 LYS 6 21.017 29.639 39.036
35 HE2 LYS 6 HE2 LYS 6 22.087 28.142 40.624
36 HE3 LYS 6 HE3 LYS 6 23.687 28.481 39.946
37 HZ1 LYS 6 HZ1 LYS 6 23.454 30.777 40.618
38 HZ2 LYS 6 HZ2 LYS 6 21.959 30.511 41.266
39 HZ3 LYS 6 HZ3 LYS 6 23.266 29.824 41.950
40 H GLU 7 H GLU 7 24.858 25.122 37.390
41 HA GLU 7 HA GLU 7 27.508 25.934 36.606
42 HB2 GLU 7 HB2 GLU 7 26.537 23.307 37.817
43 HB3 GLU 7 HB3 GLU 7 28.206 23.832 37.698
44 HG2 GLU 7 HG2 GLU 7 27.529 24.285 39.934
45 HG3 GLU 7 HG3 GLU 7 27.686 25.836 39.111
46 H TYR 8 H TYR 8 25.409 23.280 35.515
47 HA TYR 8 HA TYR 8 27.185 22.055 33.655
48 HB2 TYR 8 HB2 TYR 8 25.150 20.981 34.490
49 HB3 TYR 8 HB3 TYR 8 24.159 22.243 33.785
50 HD1 TYR 8 HD1 TYR 8 26.628 19.598 32.828
51 HD2 TYR 8 HD2 TYR 8 23.178 21.926 31.689
52 HE1 TYR 8 HE1 TYR 8 26.399 18.232 30.740
53 HE2 TYR 8 HE2 TYR 8 22.916 20.531 29.623
54 HH TYR 8 HH TYR 8 25.266 18.003 28.719
55 H CYS 9 H CYS 9 24.587 24.517 33.155
56 HA CYS 9 HA CYS 9 25.077 24.933 30.387
57 HB2 CYS 9 HB2 CYS 9 23.716 26.521 32.575
58 HB3 CYS 9 HB3 CYS 9 23.842 27.143 30.939
59 H ALA 10 H ALA 10 26.566 26.532 33.237
60 HA ALA 10 HA ALA 10 28.006 28.487 31.728
61 HB1 ALA 10 HB1 ALA 10 28.409 27.287 34.498
62 HB2 ALA 10 HB2 ALA 10 29.290 28.698 33.885
63 HB3 ALA 10 HB3 ALA 10 27.529 28.775 34.079
64 H GLY 11 H GLY 11 28.657 25.086 32.212
65 HA2 GLY 11 HA2 GLY 11 31.430 25.221 31.165
66 HA3 GLY 11 HA3 GLY 11 30.503 23.780 31.586
67 H GLN 12 H GLN 12 28.148 24.361 30.024
68 HA GLN 12 HA GLN 12 28.944 23.467 27.397
69 HB2 GLN 12 HB2 GLN 12 26.327 24.499 28.553
70 HB3 GLN 12 HB3 GLN 12 26.463 23.899 26.909
71 HG2 GLN 12 HG2 GLN 12 27.302 22.139 29.239
72 HG3 GLN 12 HG3 GLN 12 25.612 22.319 28.784
73 HE21 GLN 12 HE22 GLN 12 25.060 20.394 27.706
74 HE22 GLN 12 HE21 GLN 12 25.972 19.788 26.339
75 H CYS 13 H CYS 13 28.017 26.688 28.650
76 HA CYS 13 HA CYS 13 28.442 27.916 25.962
77 HB2 CYS 13 HB2 CYS 13 26.023 26.939 26.920
78 HB3 CYS 13 HB3 CYS 13 25.962 28.599 27.460
79 H ARG 14 H ARG 14 28.750 30.198 25.933
80 HA ARG 14 HA ARG 14 28.782 31.655 28.537
81 HB2 ARG 14 HB2 ARG 14 31.018 32.519 28.093
82 HB3 ARG 14 HB3 ARG 14 30.975 30.785 28.421
83 HG2 ARG 14 HG2 ARG 14 31.302 30.253 26.055
84 HG3 ARG 14 HG3 ARG 14 31.091 31.948 25.603
85 HD2 ARG 14 HD2 ARG 14 33.392 31.586 25.458
86 HD3 ARG 14 HD3 ARG 14 33.157 32.493 26.939
87 HE ARG 14 HE ARG 14 33.833 30.623 28.230
88 HH11 ARG 14 HH11 ARG 14 33.418 29.425 24.939
89 HH12 ARG 14 HH12 ARG 14 34.740 28.294 25.120
90 HH21 ARG 14 HH21 ARG 14 35.542 29.273 28.311
91 HH22 ARG 14 HH22 ARG 14 35.782 28.066 27.055
92 H GLY 15 H GLY 15 28.897 33.842 28.514
93 HA2 GLY 15 HA2 GLY 15 28.238 35.986 27.598
94 HA3 GLY 15 HA3 GLY 15 27.652 35.183 26.137
95 H LYS 16 H LYS 16 26.168 36.927 28.091
96 HA LYS 16 HA LYS 16 24.701 35.324 29.982
97 HB2 LYS 16 HB2 LYS 16 24.061 38.057 28.780
98 HB3 LYS 16 HB3 LYS 16 23.241 37.349 30.158
99 HG2 LYS 16 HG2 LYS 16 26.152 38.212 30.029
100 HG3 LYS 16 HG3 LYS 16 24.847 39.001 30.904
101 HD2 LYS 16 HD2 LYS 16 26.036 36.267 31.520
102 HD3 LYS 16 HD3 LYS 16 26.318 37.763 32.392
103 HE2 LYS 16 HE2 LYS 16 23.832 37.858 32.909
104 HE3 LYS 16 HE3 LYS 16 23.691 36.237 32.214
105 HZ1 LYS 16 HZ1 LYS 16 23.987 36.024 34.561
106 HZ2 LYS 16 HZ2 LYS 16 25.406 35.535 33.864
107 HZ3 LYS 16 HZ3 LYS 16 25.329 37.010 34.561
108 H VAL 17 H VAL 17 23.996 36.209 26.635
109 HA VAL 17 HA VAL 17 21.246 35.180 26.753
110 HB VAL 17 HB VAL 17 22.832 35.887 24.274
111 HG11 VAL 17 HG11 VAL 17 20.761 34.623 23.820
112 HG12 VAL 17 HG12 VAL 17 19.839 35.766 24.825
113 HG13 VAL 17 HG13 VAL 17 20.591 36.304 23.310
114 HG21 VAL 17 HG21 VAL 17 22.857 37.845 25.710
115 HG22 VAL 17 HG22 VAL 17 21.715 38.095 24.388
116 HG23 VAL 17 HG23 VAL 17 21.116 37.674 26.009
117 H SER 18 H SER 18 24.456 33.999 25.602
118 HA SER 18 HA SER 18 23.588 31.555 24.498
119 HB2 SER 18 HB2 SER 18 26.142 31.931 26.072
120 HB3 SER 18 HB3 SER 18 25.860 30.966 24.631
121 HG SER 18 HG SER 18 27.044 33.019 24.499
122 H GLN 19 H GLN 19 24.729 32.293 27.881
123 HA GLN 19 HA GLN 19 23.862 29.771 28.943
124 HB2 GLN 19 HB2 GLN 19 24.405 32.487 30.175
125 HB3 GLN 19 HB3 GLN 19 23.923 31.074 31.148
126 HG2 GLN 19 HG2 GLN 19 25.807 29.773 30.332
127 HG3 GLN 19 HG3 GLN 19 26.265 31.041 29.196
128 HE21 GLN 19 HE22 GLN 19 28.289 30.415 30.412
129 HE22 GLN 19 HE21 GLN 19 28.695 31.501 31.738
130 H ASP 20 H ASP 20 21.974 32.854 28.613
131 HA ASP 20 HA ASP 20 19.662 31.923 29.974
132 HB2 ASP 20 HB2 ASP 20 20.020 34.268 29.274
133 HB3 ASP 20 HB3 ASP 20 19.767 33.797 27.586
134 H TYR 21 H TYR 21 20.624 31.493 26.520
135 HA TYR 21 HA TYR 21 18.342 30.037 25.677
136 HB2 TYR 21 HB2 TYR 21 20.335 30.964 24.332
137 HB3 TYR 21 HB3 TYR 21 21.181 29.492 24.760
138 HD1 TYR 21 HD1 TYR 21 20.219 27.241 23.927
139 HD2 TYR 21 HD2 TYR 21 18.707 31.070 22.630
140 HE1 TYR 21 HE1 TYR 21 19.014 26.130 22.051
141 HE2 TYR 21 HE2 TYR 21 17.539 29.958 20.723
142 HH TYR 21 HH TYR 21 17.498 26.407 20.319
143 H CYS 22 H CYS 22 21.249 28.859 27.422
144 HA CYS 22 HA CYS 22 20.361 26.065 27.352
145 HB2 CYS 22 HB2 CYS 22 22.721 26.809 27.440
146 HB3 CYS 22 HB3 CYS 22 22.458 27.448 29.062
147 H LEU 23 H LEU 23 19.946 28.761 29.596
148 HA LEU 23 HA LEU 23 18.473 27.220 31.566
149 HB2 LEU 23 HB2 LEU 23 19.266 30.040 31.029
150 HB3 LEU 23 HB3 LEU 23 17.768 29.834 31.900
151 HG LEU 23 HG LEU 23 18.869 28.493 33.613
152 HD11 LEU 23 HD11 LEU 23 21.466 28.961 32.083
153 HD12 LEU 23 HD12 LEU 23 21.337 28.294 33.724
154 HD13 LEU 23 HD13 LEU 23 20.675 27.390 32.365
155 HD21 LEU 23 HD21 LEU 23 20.343 31.060 32.975
156 HD22 LEU 23 HD22 LEU 23 18.793 30.903 33.844
157 HD23 LEU 23 HD23 LEU 23 20.280 30.260 34.568
158 H LYS 24 H LYS 24 17.561 28.565 28.489
159 HA LYS 24 HA LYS 24 14.665 28.081 28.974
160 HB2 LYS 24 HB2 LYS 24 16.224 28.902 26.494
161 HB3 LYS 24 HB3 LYS 24 14.482 28.691 26.552
162 HG2 LYS 24 HG2 LYS 24 16.064 30.770 28.108
163 HG3 LYS 24 HG3 LYS 24 15.133 31.041 26.649
164 HD2 LYS 24 HD2 LYS 24 13.088 30.243 27.970
165 HD3 LYS 24 HD3 LYS 24 14.109 30.314 29.419
166 HE2 LYS 24 HE2 LYS 24 13.479 32.623 27.529
167 HE3 LYS 24 HE3 LYS 24 12.753 32.355 29.117
168 HZ1 LYS 24 HZ1 LYS 24 14.504 33.959 29.247
169 HZ2 LYS 24 HZ2 LYS 24 14.968 32.636 30.105
170 HZ3 LYS 24 HZ3 LYS 24 15.638 32.957 28.635
171 H HIS 25 H HIS 25 17.383 26.436 27.467
172 HA HIS 25 HA HIS 25 15.538 24.252 26.521
173 HB2 HIS 25 HB2 HIS 25 17.811 25.578 25.011
174 HB3 HIS 25 HB3 HIS 25 16.842 24.235 24.430
175 HD2 HIS 25 HD2 HIS 25 16.973 27.906 24.297
176 HE1 HIS 25 HE1 HIS 25 13.084 26.870 22.905
177 HE2 HIS 25 HE2 HIS 25 14.801 28.736 23.048
178 H CYS 26 H CYS 26 18.160 24.378 28.646
179 HA CYS 26 HA CYS 26 19.692 22.914 29.315
180 HB2 CYS 26 HB2 CYS 26 17.903 20.855 28.004
181 HB3 CYS 26 HB3 CYS 26 19.177 20.517 29.164
182 H LYS 27 H LYS 27 19.989 23.997 26.494
183 HA LYS 27 HA LYS 27 22.408 22.466 25.744
184 HB2 LYS 27 HB2 LYS 27 21.749 22.341 23.391
185 HB3 LYS 27 HB3 LYS 27 20.611 21.485 24.415
186 HG2 LYS 27 HG2 LYS 27 19.217 23.722 24.342
187 HG3 LYS 27 HG3 LYS 27 20.287 24.180 23.028
188 HD2 LYS 27 HD2 LYS 27 18.192 23.315 22.206
189 HD3 LYS 27 HD3 LYS 27 19.506 22.233 21.710
190 HE2 LYS 27 HE2 LYS 27 18.845 20.535 23.202
191 HE3 LYS 27 HE3 LYS 27 17.992 21.652 24.265
192 HZ1 LYS 27 HZ1 LYS 27 16.264 21.893 22.638
193 HZ2 LYS 27 HZ2 LYS 27 17.062 20.979 21.545
194 HZ3 LYS 27 HZ3 LYS 27 16.462 20.312 22.960
195 H CYS 28 H CYS 28 23.796 23.619 24.310
196 HA CYS 28 HA CYS 28 23.873 26.483 24.942
197 HB2 CYS 28 HB2 CYS 28 25.894 24.984 24.841
198 HB3 CYS 28 HB3 CYS 28 25.680 24.935 23.089
199 H ILE 29 H ILE 29 24.290 28.101 23.243
200 HA ILE 29 HA ILE 29 22.009 28.088 21.447
201 HB ILE 29 HB ILE 29 22.585 29.979 22.901
202 HG12 ILE 29 HG12 ILE 29 22.481 30.747 19.960
203 HG13 ILE 29 HG13 ILE 29 21.108 30.156 20.900
204 HG21 ILE 29 HG21 ILE 29 24.339 31.561 22.347
205 HG22 ILE 29 HG22 ILE 29 25.062 29.970 22.578
206 HG23 ILE 29 HG23 ILE 29 24.823 30.617 20.936
207 HD11 ILE 29 HD11 ILE 29 20.967 32.549 20.824
208 HD12 ILE 29 HD12 ILE 29 21.409 32.096 22.482
209 HD13 ILE 29 HD13 ILE 29 22.639 32.743 21.371
210 HA PRO 30 HA PRO 30 24.321 27.104 17.675
211 HB2 PRO 30 HB2 PRO 30 22.062 28.644 16.392
212 HB3 PRO 30 HB3 PRO 30 22.776 27.080 15.907
213 HG2 PRO 30 HG2 PRO 30 20.427 27.115 17.224
214 HG3 PRO 30 HG3 PRO 30 21.688 25.945 17.729
215 HD2 PRO 30 HD2 PRO 30 21.041 28.644 18.962
216 HD3 PRO 30 HD3 PRO 30 21.270 27.060 19.763
217 H ARG 31 H ARG 31 25.785 28.142 16.365
218 HA ARG 31 HA ARG 31 25.619 31.055 15.895
219 HB2 ARG 31 HB2 ARG 31 27.896 31.497 16.514
220 HB3 ARG 31 HB3 ARG 31 26.996 30.885 17.899
221 HG2 ARG 31 HG2 ARG 31 28.065 28.646 17.606
222 HG3 ARG 31 HG3 ARG 31 28.996 29.292 16.235
223 HD2 ARG 31 HD2 ARG 31 29.940 31.044 17.744
224 HD3 ARG 31 HD3 ARG 31 29.068 30.336 19.102
225 HE ARG 31 HE ARG 31 31.398 29.153 17.638
226 HH11 ARG 31 HH11 ARG 31 29.261 28.773 20.455
227 HH12 ARG 31 HH12 ARG 31 30.522 27.815 21.245
228 HH21 ARG 31 HH21 ARG 31 32.763 28.000 18.746
229 HH22 ARG 31 HH22 ARG 31 32.370 27.429 20.382
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 16.930 21.102 38.409
2 H2 GLY 1 H2 GLY 1 16.334 21.600 36.942
3 H3 GLY 1 H3 GLY 1 15.474 21.862 38.316
4 HA2 GLY 1 HA2 GLY 1 17.012 23.425 39.150
5 HA3 GLY 1 HA3 GLY 1 18.104 23.057 37.794
6 H SER 2 H SER 2 17.646 25.624 37.844
7 HA SER 2 HA SER 2 15.252 26.447 36.385
8 HB2 SER 2 HB2 SER 2 17.893 27.870 36.849
9 HB3 SER 2 HB3 SER 2 16.429 28.601 36.160
10 HG SER 2 HG SER 2 16.705 28.875 38.483
11 H GLY 3 H GLY 3 14.876 25.708 34.375
12 HA2 GLY 3 HA2 GLY 3 15.206 25.113 32.153
13 HA3 GLY 3 HA3 GLY 3 16.813 25.854 32.214
14 H CYS 4 H CYS 4 18.562 24.647 32.685
15 HA CYS 4 HA CYS 4 18.249 21.840 33.618
16 HB2 CYS 4 HB2 CYS 4 19.979 22.848 31.395
17 HB3 CYS 4 HB3 CYS 4 20.709 21.727 32.544
18 H MET 5 H MET 5 21.352 23.530 33.593
19 HA MET 5 HA MET 5 20.900 24.832 36.143
20 HB2 MET 5 HB2 MET 5 23.036 22.664 35.906
21 HB3 MET 5 HB3 MET 5 23.013 23.908 37.150
22 HG2 MET 5 HG2 MET 5 20.724 23.053 37.834
23 HG3 MET 5 HG3 MET 5 21.049 21.650 36.796
24 HE1 MET 5 HE1 MET 5 24.308 21.320 37.298
25 HE2 MET 5 HE2 MET 5 24.261 20.117 38.592
26 HE3 MET 5 HE3 MET 5 23.151 19.971 37.210
27 H LYS 6 H LYS 6 22.230 26.596 36.382
28 HA LYS 6 HA LYS 6 23.939 27.614 34.298
29 HB2 LYS 6 HB2 LYS 6 23.801 28.217 37.288
30 HB3 LYS 6 HB3 LYS 6 24.802 29.116 36.143
31 HG2 LYS 6 HG2 LYS 6 22.796 29.781 34.870
32 HG3 LYS 6 HG3 LYS 6 21.769 28.866 35.992
33 HD2 LYS 6 HD2 LYS 6 22.416 30.329 37.848
34 HD3 LYS 6 HD3 LYS 6 23.519 31.239 36.789
35 HE2 LYS 6 HE2 LYS 6 21.646 31.942 35.371
36 HE3 LYS 6 HE3 LYS 6 20.525 30.919 36.285
37 HZ1 LYS 6 HZ1 LYS 6 21.906 33.271 37.456
38 HZ2 LYS 6 HZ2 LYS 6 20.364 33.236 36.889
39 HZ3 LYS 6 HZ3 LYS 6 20.749 32.335 38.175
40 H GLU 7 H GLU 7 24.780 25.866 37.301
41 HA GLU 7 HA GLU 7 27.557 25.903 36.995
42 HB2 GLU 7 HB2 GLU 7 25.761 23.740 38.222
43 HB3 GLU 7 HB3 GLU 7 27.510 23.710 38.338
44 HG2 GLU 7 HG2 GLU 7 26.889 24.628 40.370
45 HG3 GLU 7 HG3 GLU 7 27.409 26.021 39.425
46 H TYR 8 H TYR 8 25.345 23.645 35.468
47 HA TYR 8 HA TYR 8 27.456 21.906 34.391
48 HB2 TYR 8 HB2 TYR 8 25.316 20.893 34.738
49 HB3 TYR 8 HB3 TYR 8 24.469 22.191 33.906
50 HD1 TYR 8 HD2 TYR 8 27.060 19.552 33.322
51 HD2 TYR 8 HD1 TYR 8 23.989 22.033 31.605
52 HE1 TYR 8 HE2 TYR 8 27.419 18.461 31.097
53 HE2 TYR 8 HE1 TYR 8 24.348 20.954 29.380
54 HH TYR 8 HH TYR 8 26.818 18.408 28.886
55 H CYS 9 H CYS 9 25.192 24.340 33.035
56 HA CYS 9 HA CYS 9 26.400 24.216 30.451
57 HB2 CYS 9 HB2 CYS 9 24.126 25.577 31.677
58 HB3 CYS 9 HB3 CYS 9 24.944 26.608 30.505
59 H ALA 10 H ALA 10 27.364 26.186 33.239
60 HA ALA 10 HA ALA 10 28.932 28.078 31.835
61 HB1 ALA 10 HB1 ALA 10 30.173 28.228 33.969
62 HB2 ALA 10 HB2 ALA 10 28.423 28.186 34.235
63 HB3 ALA 10 HB3 ALA 10 29.401 26.729 34.530
64 H GLY 11 H GLY 11 29.487 24.619 32.058
65 HA2 GLY 11 HA2 GLY 11 32.310 24.845 31.161
66 HA3 GLY 11 HA3 GLY 11 31.409 23.371 31.480
67 H GLN 12 H GLN 12 29.231 24.897 29.622
68 HA GLN 12 HA GLN 12 30.285 23.644 27.099
69 HB2 GLN 12 HB2 GLN 12 27.410 23.914 28.030
70 HB3 GLN 12 HB3 GLN 12 27.967 23.061 26.600
71 HG2 GLN 12 HG2 GLN 12 28.594 22.263 29.482
72 HG3 GLN 12 HG3 GLN 12 27.276 21.628 28.531
73 HE21 GLN 12 HE22 GLN 12 29.739 20.304 29.742
74 HE22 GLN 12 HE21 GLN 12 30.259 19.293 28.377
75 H CYS 13 H CYS 13 28.253 26.283 28.368
76 HA CYS 13 HA CYS 13 28.152 27.636 25.707
77 HB2 CYS 13 HB2 CYS 13 26.017 27.586 27.850
78 HB3 CYS 13 HB3 CYS 13 25.867 28.149 26.188
79 H ARG 14 H ARG 14 28.617 29.839 25.728
80 HA ARG 14 HA ARG 14 28.935 31.195 28.390
81 HB2 ARG 14 HB2 ARG 14 30.988 31.022 26.177
82 HB3 ARG 14 HB3 ARG 14 31.080 32.068 27.606
83 HG2 ARG 14 HG2 ARG 14 30.856 29.986 29.050
84 HG3 ARG 14 HG3 ARG 14 31.107 29.026 27.585
85 HD2 ARG 14 HD2 ARG 14 33.341 30.011 27.282
86 HD3 ARG 14 HD3 ARG 14 33.049 31.124 28.622
87 HE ARG 14 HE ARG 14 33.328 29.421 30.187
88 HH11 ARG 14 HH11 ARG 14 33.458 27.884 27.011
89 HH12 ARG 14 HH12 ARG 14 33.952 26.360 27.735
90 HH21 ARG 14 HH21 ARG 14 33.870 27.533 30.950
91 HH22 ARG 14 HH22 ARG 14 34.317 26.191 29.927
92 H GLY 15 H GLY 15 29.333 33.393 28.415
93 HA2 GLY 15 HA2 GLY 15 28.532 35.541 28.020
94 HA3 GLY 15 HA3 GLY 15 27.937 35.070 26.424
95 H LYS 16 H LYS 16 26.578 36.537 28.522
96 HA LYS 16 HA LYS 16 24.851 35.057 30.187
97 HB2 LYS 16 HB2 LYS 16 25.352 37.457 30.369
98 HB3 LYS 16 HB3 LYS 16 24.455 37.793 28.889
99 HG2 LYS 16 HG2 LYS 16 22.366 37.083 29.926
100 HG3 LYS 16 HG3 LYS 16 23.202 36.565 31.393
101 HD2 LYS 16 HD2 LYS 16 23.185 39.446 30.374
102 HD3 LYS 16 HD3 LYS 16 21.997 38.783 31.500
103 HE2 LYS 16 HE2 LYS 16 23.793 38.204 33.098
104 HE3 LYS 16 HE3 LYS 16 24.997 38.939 32.032
105 HZ1 LYS 16 HZ1 LYS 16 24.117 40.399 33.860
106 HZ2 LYS 16 HZ2 LYS 16 23.992 41.073 32.381
107 HZ3 LYS 16 HZ3 LYS 16 22.655 40.434 33.094
108 H VAL 17 H VAL 17 24.415 35.871 26.766
109 HA VAL 17 HA VAL 17 21.582 35.196 26.747
110 HB VAL 17 HB VAL 17 23.479 35.725 24.455
111 HG11 VAL 17 HG11 VAL 17 21.444 36.321 23.184
112 HG12 VAL 17 HG12 VAL 17 21.413 34.625 23.654
113 HG13 VAL 17 HG13 VAL 17 20.430 35.807 24.547
114 HG21 VAL 17 HG21 VAL 17 22.492 38.004 24.515
115 HG22 VAL 17 HG22 VAL 17 21.551 37.564 25.958
116 HG23 VAL 17 HG23 VAL 17 23.322 37.640 26.020
117 H SER 18 H SER 18 24.520 33.504 25.571
118 HA SER 18 HA SER 18 23.149 31.163 24.599
119 HB2 SER 18 HB2 SER 18 25.534 31.879 24.123
120 HB3 SER 18 HB3 SER 18 25.947 31.338 25.751
121 HG SER 18 HG SER 18 26.346 29.850 24.065
122 H GLN 19 H GLN 19 24.757 31.856 27.814
123 HA GLN 19 HA GLN 19 23.710 29.508 29.061
124 HB2 GLN 19 HB2 GLN 19 24.512 32.215 30.158
125 HB3 GLN 19 HB3 GLN 19 24.042 30.841 31.191
126 HG2 GLN 19 HG2 GLN 19 25.821 29.454 30.210
127 HG3 GLN 19 HG3 GLN 19 26.264 30.747 29.096
128 HE21 GLN 19 HE22 GLN 19 28.344 29.991 30.223
129 HE22 GLN 19 HE21 GLN 19 28.850 31.057 31.535
130 H ASP 20 H ASP 20 22.043 32.691 28.653
131 HA ASP 20 HA ASP 20 19.682 31.958 30.099
132 HB2 ASP 20 HB2 ASP 20 20.176 34.255 29.641
133 HB3 ASP 20 HB3 ASP 20 20.216 33.963 27.899
134 H TYR 21 H TYR 21 20.541 31.491 26.616
135 HA TYR 21 HA TYR 21 18.073 30.177 25.927
136 HB2 TYR 21 HB2 TYR 21 19.803 31.001 24.329
137 HB3 TYR 21 HB3 TYR 21 20.840 29.661 24.799
138 HD1 TYR 21 HD2 TYR 21 17.770 30.630 22.981
139 HD2 TYR 21 HD1 TYR 21 20.355 27.362 24.060
140 HE1 TYR 21 HE2 TYR 21 16.687 29.188 21.257
141 HE2 TYR 21 HE1 TYR 21 19.293 25.937 22.325
142 HH TYR 21 HH TYR 21 17.820 25.887 20.514
143 H CYS 22 H CYS 22 21.095 28.885 27.395
144 HA CYS 22 HA CYS 22 20.220 26.128 27.370
145 HB2 CYS 22 HB2 CYS 22 22.552 26.653 27.705
146 HB3 CYS 22 HB3 CYS 22 22.203 27.528 29.199
147 H LEU 23 H LEU 23 19.680 28.762 29.665
148 HA LEU 23 HA LEU 23 18.201 27.266 31.603
149 HB2 LEU 23 HB2 LEU 23 18.915 30.049 30.956
150 HB3 LEU 23 HB3 LEU 23 17.323 29.900 31.686
151 HG LEU 23 HG LEU 23 18.236 28.730 33.620
152 HD11 LEU 23 HD11 LEU 23 20.986 29.032 32.314
153 HD12 LEU 23 HD12 LEU 23 20.665 28.473 33.973
154 HD13 LEU 23 HD13 LEU 23 20.149 27.492 32.610
155 HD21 LEU 23 HD21 LEU 23 19.540 30.571 34.530
156 HD22 LEU 23 HD22 LEU 23 19.881 31.174 32.881
157 HD23 LEU 23 HD23 LEU 23 18.222 31.191 33.533
158 H LYS 24 H LYS 24 17.259 27.984 28.434
159 HA LYS 24 HA LYS 24 14.383 27.407 29.124
160 HB2 LYS 24 HB2 LYS 24 15.553 28.816 26.704
161 HB3 LYS 24 HB3 LYS 24 13.835 28.455 26.958
162 HG2 LYS 24 HG2 LYS 24 13.860 29.892 28.993
163 HG3 LYS 24 HG3 LYS 24 15.576 30.210 28.731
164 HD2 LYS 24 HD2 LYS 24 14.289 30.891 26.289
165 HD3 LYS 24 HD3 LYS 24 13.279 31.564 27.574
166 HE2 LYS 24 HE2 LYS 24 16.307 31.927 27.416
167 HE3 LYS 24 HE3 LYS 24 15.170 33.053 26.679
168 HZ1 LYS 24 HZ1 LYS 24 15.979 33.655 28.936
169 HZ2 LYS 24 HZ2 LYS 24 14.341 33.660 28.809
170 HZ3 LYS 24 HZ3 LYS 24 15.140 32.440 29.592
171 H HIS 25 H HIS 25 17.181 26.282 27.433
172 HA HIS 25 HA HIS 25 15.612 24.043 26.199
173 HB2 HIS 25 HB2 HIS 25 17.657 25.852 24.869
174 HB3 HIS 25 HB3 HIS 25 16.840 24.495 24.103
175 HD2 HIS 25 HD2 HIS 25 16.443 28.169 24.673
176 HE1 HIS 25 HE1 HIS 25 12.686 26.828 23.166
177 HE2 HIS 25 HE2 HIS 25 14.142 28.878 23.581
178 H CYS 26 H CYS 26 18.205 24.328 28.307
179 HA CYS 26 HA CYS 26 19.964 23.050 28.834
180 HB2 CYS 26 HB2 CYS 26 18.213 20.928 27.599
181 HB3 CYS 26 HB3 CYS 26 19.598 20.601 28.617
182 H LYS 27 H LYS 27 19.991 24.072 25.944
183 HA LYS 27 HA LYS 27 22.545 22.761 25.109
184 HB2 LYS 27 HB2 LYS 27 20.202 23.680 23.376
185 HB3 LYS 27 HB3 LYS 27 21.808 23.329 22.746
186 HG2 LYS 27 HG2 LYS 27 21.645 20.995 23.563
187 HG3 LYS 27 HG3 LYS 27 19.986 21.319 24.128
188 HD2 LYS 27 HD2 LYS 27 19.324 21.935 21.839
189 HD3 LYS 27 HD3 LYS 27 20.977 21.647 21.260
190 HE2 LYS 27 HE2 LYS 27 20.768 19.255 22.106
191 HE3 LYS 27 HE3 LYS 27 19.063 19.590 22.441
192 HZ1 LYS 27 HZ1 LYS 27 18.875 20.150 20.007
193 HZ2 LYS 27 HZ2 LYS 27 20.383 19.563 19.780
194 HZ3 LYS 27 HZ3 LYS 27 19.221 18.561 20.344
195 H CYS 28 H CYS 28 23.820 24.254 23.664
196 HA CYS 28 HA CYS 28 23.783 27.028 24.657
197 HB2 CYS 28 HB2 CYS 28 25.413 25.896 22.373
198 HB3 CYS 28 HB3 CYS 28 25.709 27.360 23.307
199 H ILE 29 H ILE 29 23.818 28.853 22.965
200 HA ILE 29 HA ILE 29 21.268 28.692 21.601
201 HB ILE 29 HB ILE 29 21.902 30.575 22.941
202 HG12 ILE 29 HG12 ILE 29 21.380 31.407 20.076
203 HG13 ILE 29 HG13 ILE 29 20.177 30.695 21.166
204 HG21 ILE 29 HG21 ILE 29 23.496 32.230 22.351
205 HG22 ILE 29 HG22 ILE 29 24.332 30.683 22.214
206 HG23 ILE 29 HG23 ILE 29 23.771 31.499 20.750
207 HD11 ILE 29 HD11 ILE 29 21.625 33.330 21.624
208 HD12 ILE 29 HD12 ILE 29 19.935 33.109 21.156
209 HD13 ILE 29 HD13 ILE 29 20.483 32.565 22.756
210 HA PRO 30 HA PRO 30 22.795 27.250 17.739
211 HB2 PRO 30 HB2 PRO 30 20.441 28.760 16.569
212 HB3 PRO 30 HB3 PRO 30 21.025 27.109 16.184
213 HG2 PRO 30 HG2 PRO 30 18.951 27.442 17.862
214 HG3 PRO 30 HG3 PRO 30 20.265 26.305 18.312
215 HD2 PRO 30 HD2 PRO 30 19.838 29.158 19.248
216 HD3 PRO 30 HD3 PRO 30 20.253 27.689 20.185
217 H ARG 31 H ARG 31 24.673 28.075 17.157
218 HA ARG 31 HA ARG 31 24.870 30.517 15.456
219 HB2 ARG 31 HB2 ARG 31 26.466 29.943 17.992
220 HB3 ARG 31 HB3 ARG 31 26.996 31.085 16.750
221 HG2 ARG 31 HG2 ARG 31 24.924 32.393 17.033
222 HG3 ARG 31 HG3 ARG 31 24.370 31.283 18.292
223 HD2 ARG 31 HD2 ARG 31 26.261 31.891 19.723
224 HD3 ARG 31 HD3 ARG 31 26.899 32.973 18.464
225 HE ARG 31 HE ARG 31 24.479 34.032 18.706
226 HH11 ARG 31 HH22 ARG 31 26.866 33.465 21.264
227 HH12 ARG 31 HH21 ARG 31 25.962 34.466 22.378
228 HH21 ARG 31 HH11 ARG 31 23.414 35.201 20.220
229 HH22 ARG 31 HH12 ARG 31 24.336 35.717 21.632