Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
637416 | 6d8u RC | 30464 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 11.081 29.997 17.961
2 H2 ALA 1 H2 ALA 1 11.517 31.026 19.164
3 H3 ALA 1 H3 ALA 1 11.624 29.395 19.401
4 HA ALA 1 HA ALA 1 13.191 30.915 17.442
5 HB1 ALA 1 HB1 ALA 1 15.116 30.570 18.901
6 HB2 ALA 1 HB2 ALA 1 13.865 31.494 19.747
7 HB3 ALA 1 HB3 ALA 1 14.097 29.767 20.113
8 H PHE 2 H PHE 2 14.863 29.679 16.390
9 HA PHE 2 HA PHE 2 14.259 26.839 15.943
10 HB2 PHE 2 HB2 PHE 2 16.185 28.861 14.761
11 HB3 PHE 2 HB3 PHE 2 16.294 27.145 14.402
12 HD1 PHE 2 HD1 PHE 2 14.049 30.124 14.101
13 HD2 PHE 2 HD2 PHE 2 14.787 26.035 12.939
14 HE1 PHE 2 HE1 PHE 2 12.318 30.306 12.350
15 HE2 PHE 2 HE2 PHE 2 13.080 26.231 11.163
16 HZ PHE 2 HZ PHE 2 11.828 28.367 10.859
17 H CYS 3 H CYS 3 16.073 25.343 15.979
18 HA CYS 3 HA CYS 3 17.570 25.289 18.434
19 HB2 CYS 3 HB2 CYS 3 18.490 23.206 17.483
20 HB3 CYS 3 HB3 CYS 3 16.737 23.250 17.553
21 H ASN 4 H ASN 4 19.544 25.748 18.798
22 HA ASN 4 HA ASN 4 20.948 27.643 17.111
23 HB2 ASN 4 HB2 ASN 4 21.666 26.483 19.839
24 HB3 ASN 4 HB3 ASN 4 22.448 27.865 19.077
25 HD21 ASN 4 HD21 ASN 4 19.736 30.114 19.669
26 HD22 ASN 4 HD22 ASN 4 21.155 29.801 18.662
27 H LEU 5 H LEU 5 21.104 25.577 15.465
28 HA LEU 5 HA LEU 5 22.999 23.572 15.833
29 HB2 LEU 5 HB2 LEU 5 21.351 23.529 14.083
30 HB3 LEU 5 HB3 LEU 5 22.061 24.943 13.305
31 HG LEU 5 HG LEU 5 24.095 23.686 12.762
32 HD11 LEU 5 HD11 LEU 5 24.217 22.040 14.572
33 HD12 LEU 5 HD12 LEU 5 22.664 21.334 14.067
34 HD13 LEU 5 HD13 LEU 5 24.101 21.193 13.030
35 HD21 LEU 5 HD21 LEU 5 21.546 22.231 11.947
36 HD22 LEU 5 HD22 LEU 5 22.200 23.699 11.189
37 HD23 LEU 5 HD23 LEU 5 23.105 22.182 11.092
38 H ARG 6 H ARG 6 23.579 26.846 14.505
39 HA ARG 6 HA ARG 6 26.317 26.508 13.874
40 HB2 ARG 6 HB2 ARG 6 26.420 28.863 13.651
41 HB3 ARG 6 HB3 ARG 6 24.853 28.325 13.061
42 HG2 ARG 6 HG2 ARG 6 23.829 29.066 15.234
43 HG3 ARG 6 HG3 ARG 6 25.418 29.642 15.766
44 HD2 ARG 6 HD2 ARG 6 24.137 31.519 14.969
45 HD3 ARG 6 HD3 ARG 6 25.475 31.248 13.867
46 HE ARG 6 HE ARG 6 22.591 30.580 13.436
47 HH11 ARG 6 HH11 ARG 6 25.755 30.976 11.929
48 HH12 ARG 6 HH12 ARG 6 25.122 30.711 10.331
49 HH21 ARG 6 HH21 ARG 6 21.829 30.423 11.390
50 HH22 ARG 6 HH22 ARG 6 22.959 30.208 10.068
51 H ARG 7 H ARG 7 25.022 26.700 17.020
52 HA ARG 7 HA ARG 7 27.763 27.107 18.193
53 HB2 ARG 7 HB2 ARG 7 25.041 27.431 19.529
54 HB3 ARG 7 HB3 ARG 7 26.617 27.558 20.316
55 HG2 ARG 7 HG2 ARG 7 27.116 29.355 18.441
56 HG3 ARG 7 HG3 ARG 7 25.361 29.410 18.261
57 HD2 ARG 7 HD2 ARG 7 26.920 29.913 20.829
58 HD3 ARG 7 HD3 ARG 7 26.323 31.166 19.758
59 HE ARG 7 HE ARG 7 24.696 29.375 21.521
60 HH11 ARG 7 HH11 ARG 7 24.501 32.100 19.287
61 HH12 ARG 7 HH12 ARG 7 23.330 32.910 20.315
62 HH21 ARG 7 HH21 ARG 7 22.990 30.459 22.585
63 HH22 ARG 7 HH22 ARG 7 22.483 32.012 21.921
64 H CYS 8 H CYS 8 24.967 24.979 18.107
65 HA CYS 8 HA CYS 8 25.784 22.879 19.821
66 HB2 CYS 8 HB2 CYS 8 23.608 23.018 18.677
67 HB3 CYS 8 HB3 CYS 8 24.424 22.858 17.120
68 H GLU 9 H GLU 9 26.891 23.567 16.377
69 HA GLU 9 HA GLU 9 28.501 21.369 15.961
70 HB2 GLU 9 HB2 GLU 9 27.504 22.961 14.445
71 HB3 GLU 9 HB3 GLU 9 28.272 24.324 15.215
72 HG2 GLU 9 HG2 GLU 9 29.204 23.775 13.115
73 HG3 GLU 9 HG3 GLU 9 30.352 23.796 14.471
74 H LEU 10 H LEU 10 29.343 24.623 17.182
75 HA LEU 10 HA LEU 10 32.142 24.161 17.555
76 HB2 LEU 10 HB2 LEU 10 30.364 26.074 19.120
77 HB3 LEU 10 HB3 LEU 10 32.107 26.191 18.910
78 HG LEU 10 HG LEU 10 30.013 26.505 16.729
79 HD11 LEU 10 HD11 LEU 10 31.831 28.550 18.073
80 HD12 LEU 10 HD12 LEU 10 30.702 28.875 16.744
81 HD13 LEU 10 HD13 LEU 10 30.080 28.386 18.327
82 HD21 LEU 10 HD21 LEU 10 31.909 27.316 15.325
83 HD22 LEU 10 HD22 LEU 10 33.044 26.841 16.604
84 HD23 LEU 10 HD23 LEU 10 32.077 25.610 15.752
85 H SER 11 H SER 11 29.397 23.474 19.595
86 HA SER 11 HA SER 11 30.883 22.794 22.019
87 HB2 SER 11 HB2 SER 11 28.559 23.418 22.176
88 HB3 SER 11 HB3 SER 11 28.088 22.119 21.072
89 HG SER 11 HG SER 11 27.751 21.216 22.928
90 H CYS 12 H CYS 12 29.522 20.818 19.338
91 HA CYS 12 HA CYS 12 30.546 18.311 20.382
92 HB2 CYS 12 HB2 CYS 12 29.606 19.105 17.609
93 HB3 CYS 12 HB3 CYS 12 29.976 17.461 18.133
94 H ARG 13 H ARG 13 31.797 20.759 18.118
95 HA ARG 13 HA ARG 13 34.128 19.494 17.166
96 HB2 ARG 13 HB2 ARG 13 33.114 21.710 16.534
97 HB3 ARG 13 HB3 ARG 13 33.907 22.407 17.952
98 HG2 ARG 13 HG2 ARG 13 36.107 21.745 17.096
99 HG3 ARG 13 HG3 ARG 13 35.372 20.877 15.743
100 HD2 ARG 13 HD2 ARG 13 35.100 23.851 16.273
101 HD3 ARG 13 HD3 ARG 13 36.237 23.117 15.122
102 HE ARG 13 HE ARG 13 33.731 22.120 14.404
103 HH11 ARG 13 HH11 ARG 13 35.138 25.385 14.528
104 HH12 ARG 13 HH12 ARG 13 33.996 25.944 13.323
105 HH21 ARG 13 HH21 ARG 13 32.322 23.005 12.966
106 HH22 ARG 13 HH22 ARG 13 32.611 24.611 12.330
107 H SER 14 H SER 14 33.501 20.901 20.388
108 HA SER 14 HA SER 14 36.259 20.743 21.214
109 HB2 SER 14 HB2 SER 14 33.907 20.447 23.092
110 HB3 SER 14 HB3 SER 14 35.496 21.143 23.436
111 HG SER 14 HG SER 14 34.917 23.014 22.451
112 H LEU 15 H LEU 15 33.817 18.322 20.926
113 HA LEU 15 HA LEU 15 35.356 16.268 22.414
114 HB2 LEU 15 HB2 LEU 15 32.652 16.172 21.025
115 HB3 LEU 15 HB3 LEU 15 33.348 14.875 21.981
116 HG LEU 15 HG LEU 15 32.530 17.619 23.040
117 HD11 LEU 15 HD11 LEU 15 31.244 14.889 23.368
118 HD12 LEU 15 HD12 LEU 15 30.696 16.403 24.117
119 HD13 LEU 15 HD13 LEU 15 30.623 16.214 22.360
120 HD21 LEU 15 HD21 LEU 15 32.823 16.597 25.280
121 HD22 LEU 15 HD22 LEU 15 33.485 15.133 24.521
122 HD23 LEU 15 HD23 LEU 15 34.354 16.680 24.401
123 H GLY 16 H GLY 16 35.519 17.663 19.454
124 HA2 GLY 16 HA2 GLY 16 36.753 17.119 17.592
125 HA3 GLY 16 HA3 GLY 16 36.880 15.442 18.118
126 H LEU 17 H LEU 17 33.668 16.835 18.018
127 HA LEU 17 HA LEU 17 33.062 15.071 15.651
128 HB2 LEU 17 HB2 LEU 17 30.881 15.681 17.568
129 HB3 LEU 17 HB3 LEU 17 31.150 14.257 16.589
130 HG LEU 17 HG LEU 17 32.593 15.023 19.087
131 HD11 LEU 17 HD11 LEU 17 31.370 13.121 20.164
132 HD12 LEU 17 HD12 LEU 17 30.393 14.515 19.731
133 HD13 LEU 17 HD13 LEU 17 30.349 13.044 18.711
134 HD21 LEU 17 HD21 LEU 17 33.443 12.666 19.128
135 HD22 LEU 17 HD22 LEU 17 32.594 12.345 17.602
136 HD23 LEU 17 HD23 LEU 17 33.958 13.477 17.654
137 H LEU 18 H LEU 18 30.870 15.511 14.833
138 HA LEU 18 HA LEU 18 30.518 18.380 14.037
139 HB2 LEU 18 HB2 LEU 18 29.779 15.723 12.832
140 HB3 LEU 18 HB3 LEU 18 28.609 17.019 12.657
141 HG LEU 18 HG LEU 18 30.028 16.776 10.734
142 HD11 LEU 18 HD11 LEU 18 30.565 19.421 12.072
143 HD12 LEU 18 HD12 LEU 18 30.524 19.085 10.333
144 HD13 LEU 18 HD13 LEU 18 29.035 18.969 11.290
145 HD21 LEU 18 HD21 LEU 18 32.376 17.450 10.724
146 HD22 LEU 18 HD22 LEU 18 32.327 17.765 12.473
147 HD23 LEU 18 HD23 LEU 18 32.144 16.113 11.866
148 H GLY 19 H GLY 19 28.512 19.313 14.288
149 HA2 GLY 19 HA2 GLY 19 26.709 18.129 16.398
150 HA3 GLY 19 HA3 GLY 19 26.852 19.845 16.075
151 H GLU 20 H GLU 20 24.490 18.118 16.084
152 HA GLU 20 HA GLU 20 23.342 18.867 13.468
153 HB2 GLU 20 HB2 GLU 20 24.082 16.586 13.131
154 HB3 GLU 20 HB3 GLU 20 23.430 16.093 14.679
155 HG2 GLU 20 HG2 GLU 20 22.061 15.214 12.965
156 HG3 GLU 20 HG3 GLU 20 21.122 16.411 13.857
157 H CYS 21 H CYS 21 21.125 19.256 13.555
158 HA CYS 21 HA CYS 21 19.924 19.413 16.289
159 HB2 CYS 21 HB2 CYS 21 19.988 21.557 15.275
160 HB3 CYS 21 HB3 CYS 21 19.331 20.939 13.753
161 H ILE 22 H ILE 22 18.199 18.245 16.793
162 HA ILE 22 HA ILE 22 16.608 16.929 14.640
163 HB ILE 22 HB ILE 22 17.355 15.670 17.296
164 HG12 ILE 22 HG12 ILE 22 19.165 15.500 15.633
165 HG13 ILE 22 HG13 ILE 22 18.467 13.946 16.047
166 HG21 ILE 22 HG21 ILE 22 16.058 13.699 16.428
167 HG22 ILE 22 HG22 ILE 22 15.051 15.094 16.776
168 HG23 ILE 22 HG23 ILE 22 15.453 14.709 15.090
169 HD11 ILE 22 HD11 ILE 22 17.347 13.836 13.904
170 HD12 ILE 22 HD12 ILE 22 17.822 15.488 13.461
171 HD13 ILE 22 HD13 ILE 22 19.038 14.187 13.630
172 H GLY 23 H GLY 23 14.836 17.947 14.536
173 HA2 GLY 23 HA2 GLY 23 12.815 18.920 15.054
174 HA3 GLY 23 HA3 GLY 23 12.961 18.282 16.701
175 H GLU 24 H GLU 24 13.602 19.611 18.313
176 HA GLU 24 HA GLU 24 14.331 22.455 17.696
177 HB2 GLU 24 HB2 GLU 24 12.838 21.401 20.112
178 HB3 GLU 24 HB3 GLU 24 13.123 23.078 19.712
179 HG2 GLU 24 HG2 GLU 24 11.284 21.138 18.292
180 HG3 GLU 24 HG3 GLU 24 10.821 22.511 19.283
181 H GLU 25 H GLU 25 15.874 19.738 18.586
182 HA GLU 25 HA GLU 25 17.471 20.974 20.778
183 HB2 GLU 25 HB2 GLU 25 16.649 18.060 20.549
184 HB3 GLU 25 HB3 GLU 25 17.554 18.790 21.868
185 HG2 GLU 25 HG2 GLU 25 14.626 19.220 21.181
186 HG3 GLU 25 HG3 GLU 25 15.282 18.362 22.564
187 H CYS 26 H CYS 26 19.585 20.010 21.155
188 HA CYS 26 HA CYS 26 21.033 19.554 18.591
189 HB2 CYS 26 HB2 CYS 26 21.679 21.518 19.814
190 HB3 CYS 26 HB3 CYS 26 21.742 20.628 21.323
191 H LYS 27 H LYS 27 22.324 17.836 18.199
192 HA LYS 27 HA LYS 27 23.331 16.112 20.394
193 HB2 LYS 27 HB2 LYS 27 22.894 14.084 19.137
194 HB3 LYS 27 HB3 LYS 27 21.387 14.897 19.551
195 HG2 LYS 27 HG2 LYS 27 21.050 15.688 17.325
196 HG3 LYS 27 HG3 LYS 27 22.702 15.327 16.827
197 HD2 LYS 27 HD2 LYS 27 20.677 13.213 17.610
198 HD3 LYS 27 HD3 LYS 27 21.013 13.758 15.952
199 HE2 LYS 27 HE2 LYS 27 23.486 13.203 16.437
200 HE3 LYS 27 HE3 LYS 27 22.907 12.308 17.849
201 HZ1 LYS 27 HZ1 LYS 27 21.972 11.785 15.072
202 HZ2 LYS 27 HZ2 LYS 27 23.193 10.946 15.781
203 HZ3 LYS 27 HZ3 LYS 27 21.659 10.861 16.357
204 H CYS 28 H CYS 28 25.212 14.744 19.631
205 HA CYS 28 HA CYS 28 26.730 16.101 17.439
206 HB2 CYS 28 HB2 CYS 28 27.787 14.242 19.570
207 HB3 CYS 28 HB3 CYS 28 28.721 15.169 18.394
208 H VAL 29 H VAL 29 27.902 14.814 15.914
209 HA VAL 29 HA VAL 29 26.804 12.100 15.404
210 HB VAL 29 HB VAL 29 26.540 12.731 12.976
211 HG11 VAL 29 HG11 VAL 29 24.624 12.414 14.455
212 HG12 VAL 29 HG12 VAL 29 24.681 14.137 14.914
213 HG13 VAL 29 HG13 VAL 29 24.326 13.662 13.235
214 HG21 VAL 29 HG21 VAL 29 26.672 15.581 14.053
215 HG22 VAL 29 HG22 VAL 29 27.746 14.809 12.857
216 HG23 VAL 29 HG23 VAL 29 26.054 15.114 12.469
217 HA PRO 30 HA PRO 30 30.926 11.031 14.314
218 HB2 PRO 30 HB2 PRO 30 30.544 8.724 12.905
219 HB3 PRO 30 HB3 PRO 30 30.206 8.856 14.661
220 HG2 PRO 30 HG2 PRO 30 28.255 9.089 12.343
221 HG3 PRO 30 HG3 PRO 30 28.095 8.090 13.827
222 HD2 PRO 30 HD2 PRO 30 26.925 10.528 13.618
223 HD3 PRO 30 HD3 PRO 30 27.642 9.981 15.159
224 H TYR 31 H TYR 31 28.895 12.230 11.960
225 HA TYR 31 HA TYR 31 29.803 11.518 9.470
226 HB2 TYR 31 HB2 TYR 31 28.933 14.280 10.380
227 HB3 TYR 31 HB3 TYR 31 28.905 13.699 8.731
228 HD1 TYR 31 HD1 TYR 31 26.582 14.942 10.002
229 HD2 TYR 31 HD2 TYR 31 27.753 10.781 9.907
230 HE1 TYR 31 HE1 TYR 31 24.222 14.266 10.299
231 HE2 TYR 31 HE2 TYR 31 25.378 10.121 10.232
232 HH TYR 31 HH TYR 31 22.744 12.526 10.310
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 10.754 24.895 16.204
2 H2 ALA 1 H2 ALA 1 10.585 24.433 14.632
3 H3 ALA 1 H3 ALA 1 10.997 25.987 14.987
4 HA ALA 1 HA ALA 1 12.640 23.718 15.802
5 HB1 ALA 1 HB1 ALA 1 12.828 25.182 13.137
6 HB2 ALA 1 HB2 ALA 1 14.048 24.061 13.782
7 HB3 ALA 1 HB3 ALA 1 12.432 23.469 13.400
8 H PHE 2 H PHE 2 12.956 25.115 17.790
9 HA PHE 2 HA PHE 2 14.262 27.743 17.407
10 HB2 PHE 2 HB2 PHE 2 13.126 28.237 19.151
11 HB3 PHE 2 HB3 PHE 2 12.471 26.615 19.277
12 HD1 PHE 2 HD1 PHE 2 13.894 24.823 20.430
13 HD2 PHE 2 HD2 PHE 2 14.741 29.039 20.635
14 HE1 PHE 2 HE1 PHE 2 15.743 24.376 21.944
15 HE2 PHE 2 HE2 PHE 2 16.610 28.594 22.114
16 HZ PHE 2 HZ PHE 2 17.144 26.252 22.857
17 H CYS 3 H CYS 3 15.428 24.817 17.246
18 HA CYS 3 HA CYS 3 17.806 24.861 18.802
19 HB2 CYS 3 HB2 CYS 3 16.694 22.883 17.888
20 HB3 CYS 3 HB3 CYS 3 17.140 23.347 16.246
21 H ASN 4 H ASN 4 19.511 26.048 18.626
22 HA ASN 4 HA ASN 4 20.415 27.397 16.152
23 HB2 ASN 4 HB2 ASN 4 20.437 28.481 18.429
24 HB3 ASN 4 HB3 ASN 4 21.618 27.305 18.966
25 HD21 ASN 4 HD21 ASN 4 22.971 30.626 17.463
26 HD22 ASN 4 HD22 ASN 4 21.471 30.365 18.354
27 H LEU 5 H LEU 5 21.607 26.209 14.713
28 HA LEU 5 HA LEU 5 23.006 23.778 15.531
29 HB2 LEU 5 HB2 LEU 5 21.842 23.980 13.377
30 HB3 LEU 5 HB3 LEU 5 22.881 25.326 12.907
31 HG LEU 5 HG LEU 5 24.824 23.873 12.793
32 HD11 LEU 5 HD11 LEU 5 24.563 21.389 12.996
33 HD12 LEU 5 HD12 LEU 5 24.348 22.213 14.544
34 HD13 LEU 5 HD13 LEU 5 22.923 21.643 13.642
35 HD21 LEU 5 HD21 LEU 5 23.330 24.068 10.830
36 HD22 LEU 5 HD22 LEU 5 24.138 22.492 10.889
37 HD23 LEU 5 HD23 LEU 5 22.429 22.634 11.372
38 H ARG 6 H ARG 6 23.950 27.156 14.814
39 HA ARG 6 HA ARG 6 26.765 26.750 14.601
40 HB2 ARG 6 HB2 ARG 6 25.320 29.241 15.627
41 HB3 ARG 6 HB3 ARG 6 26.971 29.145 15.022
42 HG2 ARG 6 HG2 ARG 6 26.078 28.391 12.803
43 HG3 ARG 6 HG3 ARG 6 24.432 28.642 13.425
44 HD2 ARG 6 HD2 ARG 6 24.924 31.028 13.804
45 HD3 ARG 6 HD3 ARG 6 26.576 30.788 13.183
46 HE ARG 6 HE ARG 6 24.716 29.826 11.241
47 HH11 ARG 6 HH11 ARG 6 25.838 32.950 12.531
48 HH12 ARG 6 HH12 ARG 6 25.394 33.762 11.025
49 HH21 ARG 6 HH21 ARG 6 24.287 31.019 9.390
50 HH22 ARG 6 HH22 ARG 6 24.710 32.727 9.332
51 H ARG 7 H ARG 7 24.806 27.480 17.523
52 HA ARG 7 HA ARG 7 27.060 27.525 19.383
53 HB2 ARG 7 HB2 ARG 7 24.057 27.050 19.742
54 HB3 ARG 7 HB3 ARG 7 25.202 27.118 21.082
55 HG2 ARG 7 HG2 ARG 7 25.899 29.404 20.391
56 HG3 ARG 7 HG3 ARG 7 24.726 29.360 19.084
57 HD2 ARG 7 HD2 ARG 7 23.655 30.585 20.786
58 HD3 ARG 7 HD3 ARG 7 22.911 28.978 20.835
59 HE ARG 7 HE ARG 7 25.199 29.436 22.667
60 HH11 ARG 7 HH11 ARG 7 21.645 29.627 22.470
61 HH12 ARG 7 HH12 ARG 7 21.568 29.769 24.225
62 HH21 ARG 7 HH21 ARG 7 24.816 29.303 24.901
63 HH22 ARG 7 HH22 ARG 7 23.169 29.565 25.467
64 H CYS 8 H CYS 8 25.194 24.960 18.023
65 HA CYS 8 HA CYS 8 26.235 22.917 19.861
66 HB2 CYS 8 HB2 CYS 8 24.312 22.896 17.521
67 HB3 CYS 8 HB3 CYS 8 24.791 21.438 18.397
68 H GLU 9 H GLU 9 26.881 23.826 16.418
69 HA GLU 9 HA GLU 9 28.583 21.634 15.813
70 HB2 GLU 9 HB2 GLU 9 28.572 24.504 14.789
71 HB3 GLU 9 HB3 GLU 9 29.696 23.268 14.222
72 HG2 GLU 9 HG2 GLU 9 27.596 21.818 13.743
73 HG3 GLU 9 HG3 GLU 9 26.707 23.334 13.856
74 H LEU 10 H LEU 10 29.512 24.811 17.273
75 HA LEU 10 HA LEU 10 32.260 24.076 17.605
76 HB2 LEU 10 HB2 LEU 10 32.482 26.050 18.925
77 HB3 LEU 10 HB3 LEU 10 31.464 26.365 17.543
78 HG LEU 10 HG LEU 10 29.488 25.925 19.298
79 HD11 LEU 10 HD11 LEU 10 30.016 26.839 21.514
80 HD12 LEU 10 HD12 LEU 10 31.027 25.423 21.243
81 HD13 LEU 10 HD13 LEU 10 31.722 27.040 21.063
82 HD21 LEU 10 HD21 LEU 10 29.431 28.358 19.733
83 HD22 LEU 10 HD22 LEU 10 31.114 28.499 19.178
84 HD23 LEU 10 HD23 LEU 10 29.835 28.013 18.046
85 H SER 11 H SER 11 29.428 23.552 19.687
86 HA SER 11 HA SER 11 30.844 22.636 22.002
87 HB2 SER 11 HB2 SER 11 28.495 23.350 22.028
88 HB3 SER 11 HB3 SER 11 28.037 21.955 21.034
89 HG SER 11 HG SER 11 28.239 20.658 22.697
90 H CYS 12 H CYS 12 29.607 20.872 19.141
91 HA CYS 12 HA CYS 12 30.608 18.301 20.101
92 HB2 CYS 12 HB2 CYS 12 29.705 19.123 17.323
93 HB3 CYS 12 HB3 CYS 12 30.032 17.480 17.891
94 H ARG 13 H ARG 13 31.866 20.822 17.825
95 HA ARG 13 HA ARG 13 34.191 19.400 16.992
96 HB2 ARG 13 HB2 ARG 13 33.412 21.525 15.972
97 HB3 ARG 13 HB3 ARG 13 33.812 22.387 17.455
98 HG2 ARG 13 HG2 ARG 13 35.529 22.743 15.755
99 HG3 ARG 13 HG3 ARG 13 36.202 21.932 17.159
100 HD2 ARG 13 HD2 ARG 13 37.111 20.963 15.123
101 HD3 ARG 13 HD3 ARG 13 36.123 19.760 15.950
102 HE ARG 13 HE ARG 13 34.717 21.360 13.900
103 HH11 ARG 13 HH11 ARG 13 36.707 18.488 14.189
104 HH12 ARG 13 HH12 ARG 13 36.106 17.839 12.690
105 HH21 ARG 13 HH21 ARG 13 33.994 20.534 12.170
106 HH22 ARG 13 HH22 ARG 13 34.554 19.016 11.498
107 H SER 14 H SER 14 33.563 21.264 19.950
108 HA SER 14 HA SER 14 36.212 21.011 20.980
109 HB2 SER 14 HB2 SER 14 34.566 22.674 21.787
110 HB3 SER 14 HB3 SER 14 33.578 21.369 22.455
111 HG SER 14 HG SER 14 34.738 22.021 24.124
112 H LEU 15 H LEU 15 33.645 18.664 20.907
113 HA LEU 15 HA LEU 15 35.104 16.785 22.674
114 HB2 LEU 15 HB2 LEU 15 32.526 16.493 21.099
115 HB3 LEU 15 HB3 LEU 15 33.182 15.293 22.217
116 HG LEU 15 HG LEU 15 32.271 18.100 23.006
117 HD11 LEU 15 HD11 LEU 15 30.350 16.954 24.000
118 HD12 LEU 15 HD12 LEU 15 30.420 16.675 22.250
119 HD13 LEU 15 HD13 LEU 15 30.934 15.398 23.374
120 HD21 LEU 15 HD21 LEU 15 33.980 17.262 24.556
121 HD22 LEU 15 HD22 LEU 15 32.387 17.214 25.314
122 HD23 LEU 15 HD23 LEU 15 33.109 15.718 24.700
123 H GLY 16 H GLY 16 35.382 17.777 19.492
124 HA2 GLY 16 HA2 GLY 16 36.798 16.937 17.855
125 HA3 GLY 16 HA3 GLY 16 36.844 15.359 18.647
126 H LEU 17 H LEU 17 33.746 16.910 17.938
127 HA LEU 17 HA LEU 17 33.229 14.883 15.784
128 HB2 LEU 17 HB2 LEU 17 30.949 15.599 17.547
129 HB3 LEU 17 HB3 LEU 17 31.309 14.083 16.745
130 HG LEU 17 HG LEU 17 32.641 15.148 19.201
131 HD11 LEU 17 HD11 LEU 17 30.314 13.251 19.009
132 HD12 LEU 17 HD12 LEU 17 31.314 13.422 20.466
133 HD13 LEU 17 HD13 LEU 17 30.432 14.815 19.865
134 HD21 LEU 17 HD21 LEU 17 33.938 13.321 17.965
135 HD22 LEU 17 HD22 LEU 17 33.432 12.815 19.578
136 HD23 LEU 17 HD23 LEU 17 32.533 12.266 18.148
137 H LEU 18 H LEU 18 31.062 15.179 14.868
138 HA LEU 18 HA LEU 18 30.600 17.933 13.802
139 HB2 LEU 18 HB2 LEU 18 29.915 15.170 12.849
140 HB3 LEU 18 HB3 LEU 18 28.818 16.492 12.468
141 HG LEU 18 HG LEU 18 30.634 17.767 11.402
142 HD11 LEU 18 HD11 LEU 18 32.617 16.884 12.561
143 HD12 LEU 18 HD12 LEU 18 32.335 15.280 11.832
144 HD13 LEU 18 HD13 LEU 18 32.752 16.674 10.816
145 HD21 LEU 18 HD21 LEU 18 29.180 16.293 10.087
146 HD22 LEU 18 HD22 LEU 18 30.813 16.340 9.406
147 HD23 LEU 18 HD23 LEU 18 30.291 14.930 10.356
148 H GLY 19 H GLY 19 28.463 18.834 13.901
149 HA2 GLY 19 HA2 GLY 19 26.702 17.806 16.108
150 HA3 GLY 19 HA3 GLY 19 27.016 19.515 15.839
151 H GLU 20 H GLU 20 24.452 18.096 15.889
152 HA GLU 20 HA GLU 20 23.347 19.174 13.372
153 HB2 GLU 20 HB2 GLU 20 23.842 16.844 12.851
154 HB3 GLU 20 HB3 GLU 20 23.095 16.310 14.353
155 HG2 GLU 20 HG2 GLU 20 21.652 15.778 12.578
156 HG3 GLU 20 HG3 GLU 20 20.874 17.024 13.516
157 H CYS 21 H CYS 21 21.173 19.725 13.478
158 HA CYS 21 HA CYS 21 19.892 19.835 16.186
159 HB2 CYS 21 HB2 CYS 21 19.627 21.476 13.670
160 HB3 CYS 21 HB3 CYS 21 18.259 21.344 14.757
161 H ILE 22 H ILE 22 18.185 18.532 16.611
162 HA ILE 22 HA ILE 22 16.922 16.937 14.446
163 HB ILE 22 HB ILE 22 16.349 17.059 17.419
164 HG12 ILE 22 HG12 ILE 22 18.565 16.169 17.125
165 HG13 ILE 22 HG13 ILE 22 17.472 14.863 17.527
166 HG21 ILE 22 HG21 ILE 22 15.295 15.203 15.251
167 HG22 ILE 22 HG22 ILE 22 15.164 14.878 16.988
168 HG23 ILE 22 HG23 ILE 22 14.360 16.288 16.299
169 HD11 ILE 22 HD11 ILE 22 18.998 14.088 15.823
170 HD12 ILE 22 HD12 ILE 22 17.394 14.212 15.079
171 HD13 ILE 22 HD13 ILE 22 18.630 15.461 14.775
172 H GLY 23 H GLY 23 16.151 19.698 16.492
173 HA2 GLY 23 HA2 GLY 23 14.757 21.186 14.636
174 HA3 GLY 23 HA3 GLY 23 13.498 20.198 15.395
175 H GLU 24 H GLU 24 14.252 20.071 18.003
176 HA GLU 24 HA GLU 24 14.504 22.889 19.005
177 HB2 GLU 24 HB2 GLU 24 13.153 20.609 20.459
178 HB3 GLU 24 HB3 GLU 24 13.086 22.328 20.819
179 HG2 GLU 24 HG2 GLU 24 11.755 20.853 18.518
180 HG3 GLU 24 HG3 GLU 24 10.966 21.584 19.902
181 H GLU 25 H GLU 25 15.630 19.540 19.283
182 HA GLU 25 HA GLU 25 17.680 20.361 21.292
183 HB2 GLU 25 HB2 GLU 25 16.212 18.694 22.130
184 HB3 GLU 25 HB3 GLU 25 16.396 17.678 20.691
185 HG2 GLU 25 HG2 GLU 25 18.678 17.180 21.210
186 HG3 GLU 25 HG3 GLU 25 18.742 18.427 22.460
187 H CYS 26 H CYS 26 19.819 19.978 20.975
188 HA CYS 26 HA CYS 26 20.765 19.230 18.258
189 HB2 CYS 26 HB2 CYS 26 22.266 20.240 20.692
190 HB3 CYS 26 HB3 CYS 26 22.968 19.921 19.117
191 H LYS 27 H LYS 27 22.257 17.602 17.893
192 HA LYS 27 HA LYS 27 23.302 15.962 20.149
193 HB2 LYS 27 HB2 LYS 27 22.948 13.895 18.905
194 HB3 LYS 27 HB3 LYS 27 21.421 14.665 19.307
195 HG2 LYS 27 HG2 LYS 27 20.793 14.860 17.152
196 HG3 LYS 27 HG3 LYS 27 22.330 15.546 16.653
197 HD2 LYS 27 HD2 LYS 27 21.989 13.507 15.433
198 HD3 LYS 27 HD3 LYS 27 23.338 13.296 16.565
199 HE2 LYS 27 HE2 LYS 27 21.755 12.172 18.164
200 HE3 LYS 27 HE3 LYS 27 20.484 12.290 16.944
201 HZ1 LYS 27 HZ1 LYS 27 23.067 10.850 16.599
202 HZ2 LYS 27 HZ2 LYS 27 21.672 10.123 16.913
203 HZ3 LYS 27 HZ3 LYS 27 21.868 10.913 15.466
204 H CYS 28 H CYS 28 25.264 14.770 19.595
205 HA CYS 28 HA CYS 28 26.785 16.005 17.326
206 HB2 CYS 28 HB2 CYS 28 27.852 14.405 19.658
207 HB3 CYS 28 HB3 CYS 28 28.789 15.227 18.402
208 H VAL 29 H VAL 29 27.672 14.705 15.727
209 HA VAL 29 HA VAL 29 26.480 11.969 15.597
210 HB VAL 29 HB VAL 29 26.365 12.204 13.196
211 HG11 VAL 29 HG11 VAL 29 24.412 13.687 13.139
212 HG12 VAL 29 HG12 VAL 29 24.406 12.646 14.566
213 HG13 VAL 29 HG13 VAL 29 24.862 14.367 14.714
214 HG21 VAL 29 HG21 VAL 29 28.047 13.890 12.720
215 HG22 VAL 29 HG22 VAL 29 26.476 14.421 12.121
216 HG23 VAL 29 HG23 VAL 29 27.113 15.118 13.618
217 HA PRO 30 HA PRO 30 30.556 10.291 15.011
218 HB2 PRO 30 HB2 PRO 30 29.962 7.790 14.164
219 HB3 PRO 30 HB3 PRO 30 29.481 8.361 15.796
220 HG2 PRO 30 HG2 PRO 30 27.791 8.271 13.276
221 HG3 PRO 30 HG3 PRO 30 27.382 7.629 14.899
222 HD2 PRO 30 HD2 PRO 30 26.566 10.093 14.065
223 HD3 PRO 30 HD3 PRO 30 27.000 9.762 15.765
224 H TYR 31 H TYR 31 28.471 10.976 12.452
225 HA TYR 31 HA TYR 31 29.498 9.627 10.272
226 HB2 TYR 31 HB2 TYR 31 28.150 12.330 10.150
227 HB3 TYR 31 HB3 TYR 31 28.121 11.044 8.949
228 HD1 TYR 31 HD1 TYR 31 27.448 8.660 10.705
229 HD2 TYR 31 HD2 TYR 31 25.828 12.647 10.459
230 HE1 TYR 31 HE1 TYR 31 25.276 7.837 11.608
231 HE2 TYR 31 HE2 TYR 31 23.648 11.814 11.345
232 HH TYR 31 HH TYR 31 22.655 9.958 12.540
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 10.240 27.117 12.994
2 H2 ALA 1 H2 ALA 1 10.218 27.933 14.426
3 H3 ALA 1 H3 ALA 1 9.053 26.835 14.091
4 HA ALA 1 HA ALA 1 10.698 26.010 15.675
5 HB1 ALA 1 HB1 ALA 1 10.551 24.594 12.978
6 HB2 ALA 1 HB2 ALA 1 11.186 23.873 14.468
7 HB3 ALA 1 HB3 ALA 1 9.482 24.353 14.383
8 H PHE 2 H PHE 2 12.781 26.436 16.342
9 HA PHE 2 HA PHE 2 15.030 26.433 14.422
10 HB2 PHE 2 HB2 PHE 2 14.860 28.602 14.060
11 HB3 PHE 2 HB3 PHE 2 13.587 28.823 15.255
12 HD1 PHE 2 HD1 PHE 2 14.079 29.091 17.626
13 HD2 PHE 2 HD2 PHE 2 17.204 28.895 14.660
14 HE1 PHE 2 HE1 PHE 2 15.736 29.389 19.365
15 HE2 PHE 2 HE2 PHE 2 18.873 29.238 16.397
16 HZ PHE 2 HZ PHE 2 18.190 29.538 18.796
17 H CYS 3 H CYS 3 16.930 25.958 15.299
18 HA CYS 3 HA CYS 3 17.279 25.674 18.212
19 HB2 CYS 3 HB2 CYS 3 18.647 23.597 17.454
20 HB3 CYS 3 HB3 CYS 3 16.907 23.463 17.647
21 H ASN 4 H ASN 4 19.360 26.152 18.907
22 HA ASN 4 HA ASN 4 21.074 27.643 17.061
23 HB2 ASN 4 HB2 ASN 4 20.616 28.240 19.474
24 HB3 ASN 4 HB3 ASN 4 21.736 26.979 19.951
25 HD21 ASN 4 HD21 ASN 4 23.239 30.495 19.290
26 HD22 ASN 4 HD22 ASN 4 21.610 30.128 19.887
27 H LEU 5 H LEU 5 21.432 25.960 15.584
28 HA LEU 5 HA LEU 5 22.921 23.571 16.093
29 HB2 LEU 5 HB2 LEU 5 21.571 23.995 14.077
30 HB3 LEU 5 HB3 LEU 5 22.633 25.322 13.619
31 HG LEU 5 HG LEU 5 24.506 23.758 13.279
32 HD11 LEU 5 HD11 LEU 5 23.958 21.953 14.863
33 HD12 LEU 5 HD12 LEU 5 22.478 21.576 13.945
34 HD13 LEU 5 HD13 LEU 5 24.078 21.301 13.228
35 HD21 LEU 5 HD21 LEU 5 22.997 24.292 11.409
36 HD22 LEU 5 HD22 LEU 5 23.612 22.632 11.281
37 HD23 LEU 5 HD23 LEU 5 21.960 22.916 11.846
38 H ARG 6 H ARG 6 23.933 26.961 15.662
39 HA ARG 6 HA ARG 6 26.746 26.381 15.273
40 HB2 ARG 6 HB2 ARG 6 25.207 28.878 16.065
41 HB3 ARG 6 HB3 ARG 6 26.976 28.847 15.955
42 HG2 ARG 6 HG2 ARG 6 26.886 28.064 13.644
43 HG3 ARG 6 HG3 ARG 6 25.121 28.022 13.665
44 HD2 ARG 6 HD2 ARG 6 26.695 30.563 14.204
45 HD3 ARG 6 HD3 ARG 6 26.300 30.013 12.580
46 HE ARG 6 HE ARG 6 24.152 30.483 14.624
47 HH11 ARG 6 HH11 ARG 6 25.331 31.109 11.364
48 HH12 ARG 6 HH12 ARG 6 23.954 32.128 11.001
49 HH21 ARG 6 HH21 ARG 6 22.468 31.669 14.061
50 HH22 ARG 6 HH22 ARG 6 22.388 32.492 12.506
51 H ARG 7 H ARG 7 24.952 27.172 18.322
52 HA ARG 7 HA ARG 7 27.319 26.914 20.006
53 HB2 ARG 7 HB2 ARG 7 24.328 26.709 20.552
54 HB3 ARG 7 HB3 ARG 7 25.543 26.440 21.806
55 HG2 ARG 7 HG2 ARG 7 26.508 28.672 21.412
56 HG3 ARG 7 HG3 ARG 7 25.302 28.992 20.164
57 HD2 ARG 7 HD2 ARG 7 24.582 30.068 22.204
58 HD3 ARG 7 HD3 ARG 7 23.493 28.714 21.857
59 HE ARG 7 HE ARG 7 25.734 28.086 23.669
60 HH11 ARG 7 HH11 ARG 7 22.368 29.218 23.748
61 HH12 ARG 7 HH12 ARG 7 22.137 28.360 25.282
62 HH21 ARG 7 HH21 ARG 7 25.302 27.223 25.553
63 HH22 ARG 7 HH22 ARG 7 23.671 27.358 26.253
64 H CYS 8 H CYS 8 25.041 24.608 18.757
65 HA CYS 8 HA CYS 8 25.999 22.289 20.197
66 HB2 CYS 8 HB2 CYS 8 23.771 22.535 19.200
67 HB3 CYS 8 HB3 CYS 8 24.481 22.632 17.597
68 H GLU 9 H GLU 9 26.657 23.455 16.819
69 HA GLU 9 HA GLU 9 28.482 21.414 16.112
70 HB2 GLU 9 HB2 GLU 9 27.987 24.236 15.157
71 HB3 GLU 9 HB3 GLU 9 29.365 23.359 14.528
72 HG2 GLU 9 HG2 GLU 9 26.627 22.055 14.451
73 HG3 GLU 9 HG3 GLU 9 27.073 23.282 13.263
74 H LEU 10 H LEU 10 29.222 24.558 17.761
75 HA LEU 10 HA LEU 10 32.045 23.896 17.878
76 HB2 LEU 10 HB2 LEU 10 32.344 25.871 19.131
77 HB3 LEU 10 HB3 LEU 10 31.271 26.167 17.783
78 HG LEU 10 HG LEU 10 29.371 25.849 19.616
79 HD11 LEU 10 HD11 LEU 10 31.713 26.857 21.292
80 HD12 LEU 10 HD12 LEU 10 30.013 26.795 21.794
81 HD13 LEU 10 HD13 LEU 10 30.910 25.298 21.521
82 HD21 LEU 10 HD21 LEU 10 31.094 28.348 19.419
83 HD22 LEU 10 HD22 LEU 10 29.766 27.907 18.323
84 HD23 LEU 10 HD23 LEU 10 29.417 28.285 20.018
85 H SER 11 H SER 11 29.310 23.376 20.128
86 HA SER 11 HA SER 11 30.808 22.392 22.353
87 HB2 SER 11 HB2 SER 11 28.327 22.842 22.329
88 HB3 SER 11 HB3 SER 11 28.102 21.369 21.382
89 HG SER 11 HG SER 11 28.592 21.738 24.042
90 H CYS 12 H CYS 12 29.577 20.730 19.453
91 HA CYS 12 HA CYS 12 30.693 18.152 20.132
92 HB2 CYS 12 HB2 CYS 12 29.635 19.222 17.482
93 HB3 CYS 12 HB3 CYS 12 29.994 17.537 17.869
94 H ARG 13 H ARG 13 31.820 20.859 17.990
95 HA ARG 13 HA ARG 13 34.192 19.662 17.043
96 HB2 ARG 13 HB2 ARG 13 33.223 21.886 16.357
97 HB3 ARG 13 HB3 ARG 13 33.848 22.577 17.864
98 HG2 ARG 13 HG2 ARG 13 36.162 21.997 17.141
99 HG3 ARG 13 HG3 ARG 13 35.502 21.255 15.677
100 HD2 ARG 13 HD2 ARG 13 36.187 23.351 14.951
101 HD3 ARG 13 HD3 ARG 13 34.443 23.557 15.172
102 HE ARG 13 HE ARG 13 35.568 24.337 17.616
103 HH11 ARG 13 HH11 ARG 13 35.898 25.512 14.326
104 HH12 ARG 13 HH12 ARG 13 36.598 27.021 14.855
105 HH21 ARG 13 HH21 ARG 13 36.438 26.183 18.197
106 HH22 ARG 13 HH22 ARG 13 37.060 27.342 17.014
107 H SER 14 H SER 14 33.559 21.129 20.221
108 HA SER 14 HA SER 14 36.281 21.002 21.042
109 HB2 SER 14 HB2 SER 14 35.575 21.616 23.194
110 HB3 SER 14 HB3 SER 14 34.374 22.346 22.124
111 HG SER 14 HG SER 14 32.975 20.553 22.636
112 H LEU 15 H LEU 15 34.007 18.452 20.835
113 HA LEU 15 HA LEU 15 35.802 16.523 22.242
114 HB2 LEU 15 HB2 LEU 15 32.989 16.196 21.145
115 HB3 LEU 15 HB3 LEU 15 33.887 14.993 22.064
116 HG LEU 15 HG LEU 15 32.878 17.691 23.094
117 HD11 LEU 15 HD11 LEU 15 31.116 16.029 22.668
118 HD12 LEU 15 HD12 LEU 15 31.980 14.840 23.667
119 HD13 LEU 15 HD13 LEU 15 31.332 16.322 24.401
120 HD21 LEU 15 HD21 LEU 15 34.323 15.434 24.557
121 HD22 LEU 15 HD22 LEU 15 34.917 17.091 24.313
122 HD23 LEU 15 HD23 LEU 15 33.509 16.797 25.342
123 H GLY 16 H GLY 16 35.735 17.889 19.304
124 HA2 GLY 16 HA2 GLY 16 36.818 17.343 17.347
125 HA3 GLY 16 HA3 GLY 16 37.084 15.699 17.930
126 H LEU 17 H LEU 17 33.807 16.884 18.019
127 HA LEU 17 HA LEU 17 33.136 15.007 15.774
128 HB2 LEU 17 HB2 LEU 17 30.993 15.787 17.666
129 HB3 LEU 17 HB3 LEU 17 31.242 14.282 16.815
130 HG LEU 17 HG LEU 17 32.694 15.288 19.207
131 HD11 LEU 17 HD11 LEU 17 30.507 14.834 19.893
132 HD12 LEU 17 HD12 LEU 17 30.490 13.244 19.067
133 HD13 LEU 17 HD13 LEU 17 31.517 13.527 20.490
134 HD21 LEU 17 HD21 LEU 17 34.067 13.610 17.893
135 HD22 LEU 17 HD22 LEU 17 33.581 12.943 19.452
136 HD23 LEU 17 HD23 LEU 17 32.710 12.471 17.978
137 H LEU 18 H LEU 18 30.786 15.504 15.083
138 HA LEU 18 HA LEU 18 30.477 18.371 14.223
139 HB2 LEU 18 HB2 LEU 18 29.685 15.757 12.897
140 HB3 LEU 18 HB3 LEU 18 28.930 17.286 12.497
141 HG LEU 18 HG LEU 18 31.195 18.221 11.894
142 HD11 LEU 18 HD11 LEU 18 32.064 15.320 12.120
143 HD12 LEU 18 HD12 LEU 18 32.952 16.574 11.233
144 HD13 LEU 18 HD13 LEU 18 32.753 16.727 12.971
145 HD21 LEU 18 HD21 LEU 18 31.233 17.089 9.705
146 HD22 LEU 18 HD22 LEU 18 30.243 15.763 10.361
147 HD23 LEU 18 HD23 LEU 18 29.574 17.410 10.225
148 H GLY 19 H GLY 19 28.384 19.248 14.340
149 HA2 GLY 19 HA2 GLY 19 26.507 17.973 16.292
150 HA3 GLY 19 HA3 GLY 19 26.570 19.675 15.885
151 H GLU 20 H GLU 20 24.334 17.774 15.910
152 HA GLU 20 HA GLU 20 23.098 18.636 13.353
153 HB2 GLU 20 HB2 GLU 20 23.868 16.332 12.905
154 HB3 GLU 20 HB3 GLU 20 23.129 15.792 14.402
155 HG2 GLU 20 HG2 GLU 20 21.639 15.083 12.847
156 HG3 GLU 20 HG3 GLU 20 20.856 16.516 13.418
157 H CYS 21 H CYS 21 21.096 19.369 13.602
158 HA CYS 21 HA CYS 21 19.756 19.225 16.241
159 HB2 CYS 21 HB2 CYS 21 19.993 21.423 15.283
160 HB3 CYS 21 HB3 CYS 21 19.202 20.904 13.793
161 H ILE 22 H ILE 22 18.016 18.050 16.636
162 HA ILE 22 HA ILE 22 16.923 16.325 14.454
163 HB ILE 22 HB ILE 22 16.687 16.063 17.464
164 HG12 ILE 22 HG12 ILE 22 18.956 15.582 16.792
165 HG13 ILE 22 HG13 ILE 22 18.126 14.101 17.234
166 HG21 ILE 22 HG21 ILE 22 15.772 13.785 16.936
167 HG22 ILE 22 HG22 ILE 22 14.705 15.105 16.460
168 HG23 ILE 22 HG23 ILE 22 15.666 14.257 15.231
169 HD11 ILE 22 HD11 ILE 22 17.865 13.520 14.819
170 HD12 ILE 22 HD12 ILE 22 18.738 15.011 14.385
171 HD13 ILE 22 HD13 ILE 22 19.557 13.736 15.291
172 H GLY 23 H GLY 23 15.496 18.073 17.257
173 HA2 GLY 23 HA2 GLY 23 13.215 18.971 15.557
174 HA3 GLY 23 HA3 GLY 23 12.903 17.858 16.892
175 H GLU 24 H GLU 24 14.389 20.966 16.114
176 HA GLU 24 HA GLU 24 14.782 22.889 17.216
177 HB2 GLU 24 HB2 GLU 24 12.552 22.215 19.148
178 HB3 GLU 24 HB3 GLU 24 13.258 23.794 18.797
179 HG2 GLU 24 HG2 GLU 24 12.375 23.764 16.534
180 HG3 GLU 24 HG3 GLU 24 11.756 22.121 16.745
181 H GLU 25 H GLU 25 15.876 20.164 18.323
182 HA GLU 25 HA GLU 25 17.549 21.410 20.398
183 HB2 GLU 25 HB2 GLU 25 16.167 18.727 20.762
184 HB3 GLU 25 HB3 GLU 25 17.413 19.369 21.819
185 HG2 GLU 25 HG2 GLU 25 14.663 20.646 21.403
186 HG3 GLU 25 HG3 GLU 25 15.067 19.533 22.682
187 H CYS 26 H CYS 26 19.644 20.291 20.593
188 HA CYS 26 HA CYS 26 20.346 18.762 18.125
189 HB2 CYS 26 HB2 CYS 26 20.607 21.211 17.929
190 HB3 CYS 26 HB3 CYS 26 21.729 21.198 19.277
191 H LYS 27 H LYS 27 22.184 17.589 18.011
192 HA LYS 27 HA LYS 27 23.650 16.786 20.471
193 HB2 LYS 27 HB2 LYS 27 23.064 14.446 20.122
194 HB3 LYS 27 HB3 LYS 27 21.618 15.421 20.398
195 HG2 LYS 27 HG2 LYS 27 21.356 15.494 17.821
196 HG3 LYS 27 HG3 LYS 27 22.618 14.259 17.755
197 HD2 LYS 27 HD2 LYS 27 19.941 14.055 19.202
198 HD3 LYS 27 HD3 LYS 27 20.357 13.316 17.643
199 HE2 LYS 27 HE2 LYS 27 22.179 12.032 18.788
200 HE3 LYS 27 HE3 LYS 27 21.603 12.659 20.340
201 HZ1 LYS 27 HZ1 LYS 27 19.477 11.572 19.934
202 HZ2 LYS 27 HZ2 LYS 27 19.966 11.094 18.426
203 HZ3 LYS 27 HZ3 LYS 27 20.681 10.461 19.755
204 H CYS 28 H CYS 28 25.471 15.247 19.962
205 HA CYS 28 HA CYS 28 26.789 16.046 17.437
206 HB2 CYS 28 HB2 CYS 28 27.909 14.352 19.676
207 HB3 CYS 28 HB3 CYS 28 28.805 15.206 18.418
208 H VAL 29 H VAL 29 27.748 14.650 15.949
209 HA VAL 29 HA VAL 29 26.703 11.847 15.866
210 HB VAL 29 HB VAL 29 26.873 11.954 13.407
211 HG11 VAL 29 HG11 VAL 29 24.964 13.984 14.612
212 HG12 VAL 29 HG12 VAL 29 24.788 13.136 13.057
213 HG13 VAL 29 HG13 VAL 29 24.735 12.220 14.571
214 HG21 VAL 29 HG21 VAL 29 28.402 13.844 13.089
215 HG22 VAL 29 HG22 VAL 29 26.875 14.111 12.242
216 HG23 VAL 29 HG23 VAL 29 27.189 14.961 13.762
217 HA PRO 30 HA PRO 30 30.865 10.561 16.046
218 HB2 PRO 30 HB2 PRO 30 30.767 7.996 15.125
219 HB3 PRO 30 HB3 PRO 30 29.909 8.509 16.610
220 HG2 PRO 30 HG2 PRO 30 28.782 8.260 13.797
221 HG3 PRO 30 HG3 PRO 30 28.128 7.558 15.313
222 HD2 PRO 30 HD2 PRO 30 27.204 9.912 14.326
223 HD3 PRO 30 HD3 PRO 30 27.398 9.666 16.087
224 H TYR 31 H TYR 31 29.496 11.030 12.984
225 HA TYR 31 HA TYR 31 31.179 9.758 11.188
226 HB2 TYR 31 HB2 TYR 31 29.827 12.415 10.678
227 HB3 TYR 31 HB3 TYR 31 30.179 11.147 9.511
228 HD1 TYR 31 HD1 TYR 31 29.093 8.757 11.219
229 HD2 TYR 31 HD2 TYR 31 27.501 12.644 10.229
230 HE1 TYR 31 HE1 TYR 31 26.781 7.918 11.601
231 HE2 TYR 31 HE2 TYR 31 25.190 11.780 10.575
232 HH TYR 31 HH TYR 31 23.896 9.813 10.863
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 11.166 26.184 14.922
2 H2 ALA 1 H2 ALA 1 11.022 25.336 16.345
3 H3 ALA 1 H3 ALA 1 10.556 24.660 14.932
4 HA ALA 1 HA ALA 1 12.728 23.933 15.927
5 HB1 ALA 1 HB1 ALA 1 12.059 23.203 13.725
6 HB2 ALA 1 HB2 ALA 1 12.506 24.773 13.009
7 HB3 ALA 1 HB3 ALA 1 13.753 23.692 13.677
8 H PHE 2 H PHE 2 13.328 25.745 17.426
9 HA PHE 2 HA PHE 2 14.809 27.990 16.206
10 HB2 PHE 2 HB2 PHE 2 13.987 27.540 19.095
11 HB3 PHE 2 HB3 PHE 2 14.644 29.022 18.412
12 HD1 PHE 2 HD1 PHE 2 11.629 27.058 18.944
13 HD2 PHE 2 HD2 PHE 2 13.353 30.242 16.596
14 HE1 PHE 2 HE1 PHE 2 9.355 27.804 18.273
15 HE2 PHE 2 HE2 PHE 2 11.085 30.969 15.920
16 HZ PHE 2 HZ PHE 2 9.077 29.767 16.769
17 H CYS 3 H CYS 3 15.906 25.146 16.611
18 HA CYS 3 HA CYS 3 17.864 25.179 18.620
19 HB2 CYS 3 HB2 CYS 3 18.700 23.164 17.548
20 HB3 CYS 3 HB3 CYS 3 16.954 23.157 17.678
21 H ASN 4 H ASN 4 19.657 26.161 18.809
22 HA ASN 4 HA ASN 4 21.005 27.637 16.686
23 HB2 ASN 4 HB2 ASN 4 20.719 28.343 19.091
24 HB3 ASN 4 HB3 ASN 4 21.943 27.174 19.547
25 HD21 ASN 4 HD21 ASN 4 23.331 30.648 18.872
26 HD22 ASN 4 HD22 ASN 4 21.821 30.197 19.665
27 H LEU 5 H LEU 5 21.497 25.960 15.225
28 HA LEU 5 HA LEU 5 23.073 23.683 15.772
29 HB2 LEU 5 HB2 LEU 5 21.747 24.009 13.732
30 HB3 LEU 5 HB3 LEU 5 22.790 25.345 13.238
31 HG LEU 5 HG LEU 5 24.701 23.787 13.033
32 HD11 LEU 5 HD11 LEU 5 24.278 21.331 13.013
33 HD12 LEU 5 HD12 LEU 5 24.070 22.012 14.626
34 HD13 LEU 5 HD13 LEU 5 22.640 21.615 13.639
35 HD21 LEU 5 HD21 LEU 5 23.247 24.281 11.095
36 HD22 LEU 5 HD22 LEU 5 23.933 22.652 11.009
37 HD23 LEU 5 HD23 LEU 5 22.238 22.872 11.496
38 H ARG 6 H ARG 6 24.107 27.059 15.066
39 HA ARG 6 HA ARG 6 26.898 26.511 14.904
40 HB2 ARG 6 HB2 ARG 6 25.707 28.598 14.236
41 HB3 ARG 6 HB3 ARG 6 25.575 29.055 15.937
42 HG2 ARG 6 HG2 ARG 6 27.996 29.169 16.170
43 HG3 ARG 6 HG3 ARG 6 28.242 28.463 14.568
44 HD2 ARG 6 HD2 ARG 6 26.894 31.132 15.116
45 HD3 ARG 6 HD3 ARG 6 28.574 30.932 14.598
46 HE ARG 6 HE ARG 6 27.626 29.742 12.552
47 HH11 ARG 6 HH11 ARG 6 25.901 32.497 13.987
48 HH12 ARG 6 HH12 ARG 6 25.013 32.726 12.485
49 HH21 ARG 6 HH21 ARG 6 26.270 30.084 10.829
50 HH22 ARG 6 HH22 ARG 6 25.232 31.503 10.833
51 H ARG 7 H ARG 7 24.998 27.365 17.911
52 HA ARG 7 HA ARG 7 27.351 27.177 19.615
53 HB2 ARG 7 HB2 ARG 7 24.384 26.821 20.229
54 HB3 ARG 7 HB3 ARG 7 25.653 26.702 21.460
55 HG2 ARG 7 HG2 ARG 7 26.443 28.989 20.890
56 HG3 ARG 7 HG3 ARG 7 25.124 29.126 19.725
57 HD2 ARG 7 HD2 ARG 7 23.500 28.700 21.634
58 HD3 ARG 7 HD3 ARG 7 24.885 28.767 22.741
59 HE ARG 7 HE ARG 7 24.630 31.085 20.953
60 HH11 ARG 7 HH11 ARG 7 23.740 29.923 24.215
61 HH12 ARG 7 HH12 ARG 7 23.194 31.541 24.614
62 HH21 ARG 7 HH21 ARG 7 24.088 33.087 21.811
63 HH22 ARG 7 HH22 ARG 7 23.367 33.131 23.422
64 H CYS 8 H CYS 8 25.030 24.788 18.534
65 HA CYS 8 HA CYS 8 25.970 22.549 20.048
66 HB2 CYS 8 HB2 CYS 8 23.776 22.750 18.986
67 HB3 CYS 8 HB3 CYS 8 24.517 22.801 17.399
68 H GLU 9 H GLU 9 26.787 23.574 16.658
69 HA GLU 9 HA GLU 9 28.590 21.423 16.127
70 HB2 GLU 9 HB2 GLU 9 28.248 24.206 14.950
71 HB3 GLU 9 HB3 GLU 9 29.512 23.097 14.395
72 HG2 GLU 9 HG2 GLU 9 27.820 21.369 13.911
73 HG3 GLU 9 HG3 GLU 9 26.533 22.490 14.320
74 H LEU 10 H LEU 10 29.222 24.661 17.498
75 HA LEU 10 HA LEU 10 32.078 24.353 17.730
76 HB2 LEU 10 HB2 LEU 10 30.074 26.016 19.318
77 HB3 LEU 10 HB3 LEU 10 31.823 26.216 19.409
78 HG LEU 10 HG LEU 10 30.253 26.499 16.842
79 HD11 LEU 10 HD11 LEU 10 30.428 28.937 17.160
80 HD12 LEU 10 HD12 LEU 10 29.496 28.193 18.465
81 HD13 LEU 10 HD13 LEU 10 31.182 28.687 18.748
82 HD21 LEU 10 HD21 LEU 10 32.656 26.088 16.493
83 HD22 LEU 10 HD22 LEU 10 32.221 27.738 16.065
84 HD23 LEU 10 HD23 LEU 10 33.056 27.424 17.605
85 H SER 11 H SER 11 29.393 23.563 19.910
86 HA SER 11 HA SER 11 31.119 22.659 22.061
87 HB2 SER 11 HB2 SER 11 28.772 23.302 22.462
88 HB3 SER 11 HB3 SER 11 28.230 21.878 21.541
89 HG SER 11 HG SER 11 29.918 21.862 23.843
90 H CYS 12 H CYS 12 29.582 20.917 19.344
91 HA CYS 12 HA CYS 12 30.692 18.351 20.083
92 HB2 CYS 12 HB2 CYS 12 29.687 19.252 17.358
93 HB3 CYS 12 HB3 CYS 12 30.058 17.598 17.878
94 H ARG 13 H ARG 13 31.905 21.069 18.056
95 HA ARG 13 HA ARG 13 34.297 19.825 17.120
96 HB2 ARG 13 HB2 ARG 13 33.485 22.107 16.451
97 HB3 ARG 13 HB3 ARG 13 33.986 22.712 18.029
98 HG2 ARG 13 HG2 ARG 13 36.342 22.059 17.536
99 HG3 ARG 13 HG3 ARG 13 35.814 21.416 15.975
100 HD2 ARG 13 HD2 ARG 13 36.784 23.559 15.610
101 HD3 ARG 13 HD3 ARG 13 35.042 23.704 15.326
102 HE ARG 13 HE ARG 13 35.272 24.473 17.960
103 HH11 ARG 13 HH11 ARG 13 37.113 25.691 15.157
104 HH12 ARG 13 HH12 ARG 13 37.485 27.148 16.070
105 HH21 ARG 13 HH21 ARG 13 35.723 26.321 18.839
106 HH22 ARG 13 HH22 ARG 13 36.711 27.524 17.983
107 H SER 14 H SER 14 33.549 21.234 20.335
108 HA SER 14 HA SER 14 36.203 20.682 21.337
109 HB2 SER 14 HB2 SER 14 33.605 21.308 22.767
110 HB3 SER 14 HB3 SER 14 35.148 21.077 23.620
111 HG SER 14 HG SER 14 34.318 23.301 22.799
112 H LEU 15 H LEU 15 33.578 18.573 20.787
113 HA LEU 15 HA LEU 15 34.802 16.417 22.466
114 HB2 LEU 15 HB2 LEU 15 32.276 16.398 20.775
115 HB3 LEU 15 HB3 LEU 15 32.850 15.094 21.799
116 HG LEU 15 HG LEU 15 31.870 17.819 22.734
117 HD11 LEU 15 HD11 LEU 15 30.127 16.291 21.894
118 HD12 LEU 15 HD12 LEU 15 30.681 15.030 23.013
119 HD13 LEU 15 HD13 LEU 15 29.985 16.543 23.638
120 HD21 LEU 15 HD21 LEU 15 32.799 15.408 24.362
121 HD22 LEU 15 HD22 LEU 15 33.575 17.007 24.297
122 HD23 LEU 15 HD23 LEU 15 31.976 16.839 25.018
123 H GLY 16 H GLY 16 35.418 17.790 19.519
124 HA2 GLY 16 HA2 GLY 16 36.739 17.095 17.768
125 HA3 GLY 16 HA3 GLY 16 36.790 15.453 18.440
126 H LEU 17 H LEU 17 33.689 16.988 17.846
127 HA LEU 17 HA LEU 17 33.172 15.114 15.575
128 HB2 LEU 17 HB2 LEU 17 30.972 15.776 17.493
129 HB3 LEU 17 HB3 LEU 17 31.164 14.346 16.484
130 HG LEU 17 HG LEU 17 32.656 15.036 18.961
131 HD11 LEU 17 HD11 LEU 17 30.338 13.139 18.587
132 HD12 LEU 17 HD12 LEU 17 31.389 13.134 20.024
133 HD13 LEU 17 HD13 LEU 17 30.461 14.580 19.646
134 HD21 LEU 17 HD21 LEU 17 33.900 13.413 17.405
135 HD22 LEU 17 HD22 LEU 17 33.483 12.682 18.957
136 HD23 LEU 17 HD23 LEU 17 32.508 12.331 17.512
137 H LEU 18 H LEU 18 31.005 15.443 14.693
138 HA LEU 18 HA LEU 18 30.464 18.258 13.820
139 HB2 LEU 18 HB2 LEU 18 29.679 15.528 12.762
140 HB3 LEU 18 HB3 LEU 18 28.761 16.967 12.344
141 HG LEU 18 HG LEU 18 30.921 17.995 11.464
142 HD11 LEU 18 HD11 LEU 18 32.646 16.307 10.708
143 HD12 LEU 18 HD12 LEU 18 32.625 16.563 12.462
144 HD13 LEU 18 HD13 LEU 18 31.871 15.115 11.766
145 HD21 LEU 18 HD21 LEU 18 29.145 17.063 10.030
146 HD22 LEU 18 HD22 LEU 18 30.745 16.781 9.335
147 HD23 LEU 18 HD23 LEU 18 29.885 15.450 10.147
148 H GLY 19 H GLY 19 28.324 19.071 13.921
149 HA2 GLY 19 HA2 GLY 19 26.577 17.949 16.090
150 HA3 GLY 19 HA3 GLY 19 26.672 19.652 15.676
151 H GLU 20 H GLU 20 24.434 17.695 15.722
152 HA GLU 20 HA GLU 20 23.179 18.547 13.161
153 HB2 GLU 20 HB2 GLU 20 23.957 16.291 12.681
154 HB3 GLU 20 HB3 GLU 20 23.194 15.681 14.160
155 HG2 GLU 20 HG2 GLU 20 20.965 16.236 13.299
156 HG3 GLU 20 HG3 GLU 20 21.685 16.937 11.851
157 H CYS 21 H CYS 21 21.233 19.469 13.506
158 HA CYS 21 HA CYS 21 19.964 19.259 16.151
159 HB2 CYS 21 HB2 CYS 21 20.120 21.455 15.349
160 HB3 CYS 21 HB3 CYS 21 19.489 21.022 13.761
161 H ILE 22 H ILE 22 18.207 18.234 16.675
162 HA ILE 22 HA ILE 22 17.025 16.245 14.873
163 HB ILE 22 HB ILE 22 16.562 16.904 17.816
164 HG12 ILE 22 HG12 ILE 22 17.658 14.442 17.893
165 HG13 ILE 22 HG13 ILE 22 18.383 14.954 16.378
166 HG21 ILE 22 HG21 ILE 22 15.609 14.499 16.218
167 HG22 ILE 22 HG22 ILE 22 15.451 14.740 17.967
168 HG23 ILE 22 HG23 ILE 22 14.573 15.802 16.868
169 HD11 ILE 22 HD11 ILE 22 18.586 16.440 19.023
170 HD12 ILE 22 HD12 ILE 22 19.791 15.313 18.389
171 HD13 ILE 22 HD13 ILE 22 19.490 16.834 17.533
172 H GLY 23 H GLY 23 16.067 19.284 16.416
173 HA2 GLY 23 HA2 GLY 23 14.339 20.160 14.445
174 HA3 GLY 23 HA3 GLY 23 13.285 19.264 15.557
175 H GLU 24 H GLU 24 14.159 19.804 18.010
176 HA GLU 24 HA GLU 24 14.529 22.774 18.256
177 HB2 GLU 24 HB2 GLU 24 13.087 20.942 20.205
178 HB3 GLU 24 HB3 GLU 24 13.350 22.664 20.409
179 HG2 GLU 24 HG2 GLU 24 11.612 21.367 18.280
180 HG3 GLU 24 HG3 GLU 24 11.062 22.159 19.748
181 H GLU 25 H GLU 25 15.539 19.576 19.316
182 HA GLU 25 HA GLU 25 17.666 20.687 21.069
183 HB2 GLU 25 HB2 GLU 25 16.210 18.889 21.930
184 HB3 GLU 25 HB3 GLU 25 16.603 17.879 20.553
185 HG2 GLU 25 HG2 GLU 25 17.787 17.123 22.502
186 HG3 GLU 25 HG3 GLU 25 18.937 17.706 21.304
187 H CYS 26 H CYS 26 19.885 19.942 20.730
188 HA CYS 26 HA CYS 26 20.506 18.791 18.073
189 HB2 CYS 26 HB2 CYS 26 20.578 21.216 17.776
190 HB3 CYS 26 HB3 CYS 26 21.734 21.369 19.096
191 H LYS 27 H LYS 27 22.129 17.399 18.019
192 HA LYS 27 HA LYS 27 23.826 16.914 20.421
193 HB2 LYS 27 HB2 LYS 27 22.169 14.863 18.897
194 HB3 LYS 27 HB3 LYS 27 23.279 14.492 20.199
195 HG2 LYS 27 HG2 LYS 27 20.694 16.098 20.429
196 HG3 LYS 27 HG3 LYS 27 20.901 14.412 20.875
197 HD2 LYS 27 HD2 LYS 27 22.360 16.744 22.169
198 HD3 LYS 27 HD3 LYS 27 20.894 15.973 22.796
199 HE2 LYS 27 HE2 LYS 27 22.130 13.790 22.861
200 HE3 LYS 27 HE3 LYS 27 23.598 14.655 22.356
201 HZ1 LYS 27 HZ1 LYS 27 23.469 14.373 24.785
202 HZ2 LYS 27 HZ2 LYS 27 23.462 15.970 24.363
203 HZ3 LYS 27 HZ3 LYS 27 22.058 15.229 24.836
204 H CYS 28 H CYS 28 25.526 15.187 19.845
205 HA CYS 28 HA CYS 28 26.783 16.070 17.306
206 HB2 CYS 28 HB2 CYS 28 27.996 14.447 19.538
207 HB3 CYS 28 HB3 CYS 28 28.824 15.338 18.263
208 H VAL 29 H VAL 29 27.443 14.708 15.676
209 HA VAL 29 HA VAL 29 26.087 12.065 15.639
210 HB VAL 29 HB VAL 29 26.677 12.016 13.216
211 HG11 VAL 29 HG11 VAL 29 24.891 14.231 14.241
212 HG12 VAL 29 HG12 VAL 29 24.830 13.510 12.615
213 HG13 VAL 29 HG13 VAL 29 24.454 12.519 14.030
214 HG21 VAL 29 HG21 VAL 29 28.460 13.699 13.150
215 HG22 VAL 29 HG22 VAL 29 27.125 14.125 12.065
216 HG23 VAL 29 HG23 VAL 29 27.295 14.970 13.609
217 HA PRO 30 HA PRO 30 29.712 9.915 16.453
218 HB2 PRO 30 HB2 PRO 30 29.166 7.397 15.604
219 HB3 PRO 30 HB3 PRO 30 28.250 8.177 16.931
220 HG2 PRO 30 HG2 PRO 30 27.482 8.013 13.991
221 HG3 PRO 30 HG3 PRO 30 26.486 7.569 15.419
222 HD2 PRO 30 HD2 PRO 30 26.263 10.005 14.261
223 HD3 PRO 30 HD3 PRO 30 26.198 9.829 16.040
224 H TYR 31 H TYR 31 29.026 10.473 13.148
225 HA TYR 31 HA TYR 31 30.809 8.789 11.805
226 HB2 TYR 31 HB2 TYR 31 30.155 11.618 10.938
227 HB3 TYR 31 HB3 TYR 31 30.537 10.239 9.915
228 HD1 TYR 31 HD1 TYR 31 28.837 8.082 10.651
229 HD2 TYR 31 HD2 TYR 31 27.950 12.301 10.701
230 HE1 TYR 31 HE1 TYR 31 26.406 7.581 10.576
231 HE2 TYR 31 HE2 TYR 31 25.522 11.793 10.684
232 HH TYR 31 HH TYR 31 23.933 10.165 10.769
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 12.535 30.046 21.116
2 H2 ALA 1 H2 ALA 1 11.620 30.317 19.766
3 H3 ALA 1 H3 ALA 1 12.223 31.594 20.626
4 HA ALA 1 HA ALA 1 13.405 31.191 18.561
5 HB1 ALA 1 HB1 ALA 1 15.681 31.261 19.532
6 HB2 ALA 1 HB2 ALA 1 14.570 32.331 20.400
7 HB3 ALA 1 HB3 ALA 1 15.030 30.769 21.111
8 H PHE 2 H PHE 2 13.999 29.676 17.112
9 HA PHE 2 HA PHE 2 14.034 26.841 17.831
10 HB2 PHE 2 HB2 PHE 2 14.487 28.257 15.185
11 HB3 PHE 2 HB3 PHE 2 14.201 26.530 15.417
12 HD1 PHE 2 HD1 PHE 2 11.930 26.076 16.934
13 HD2 PHE 2 HD2 PHE 2 12.664 29.460 14.356
14 HE1 PHE 2 HE1 PHE 2 9.491 26.476 16.763
15 HE2 PHE 2 HE2 PHE 2 10.218 29.838 14.161
16 HZ PHE 2 HZ PHE 2 8.632 28.348 15.361
17 H CYS 3 H CYS 3 15.805 25.523 17.237
18 HA CYS 3 HA CYS 3 18.100 26.282 18.640
19 HB2 CYS 3 HB2 CYS 3 17.222 24.005 18.489
20 HB3 CYS 3 HB3 CYS 3 17.697 23.917 16.796
21 H ASN 4 H ASN 4 19.813 27.361 18.130
22 HA ASN 4 HA ASN 4 20.720 27.914 15.403
23 HB2 ASN 4 HB2 ASN 4 21.132 29.440 17.394
24 HB3 ASN 4 HB3 ASN 4 22.313 28.271 17.968
25 HD21 ASN 4 HD21 ASN 4 23.169 30.659 14.776
26 HD22 ASN 4 HD22 ASN 4 21.674 30.841 15.688
27 H LEU 5 H LEU 5 21.646 26.526 14.078
28 HA LEU 5 HA LEU 5 22.775 24.028 14.933
29 HB2 LEU 5 HB2 LEU 5 21.636 24.312 12.792
30 HB3 LEU 5 HB3 LEU 5 22.831 25.503 12.275
31 HG LEU 5 HG LEU 5 24.599 23.767 12.283
32 HD11 LEU 5 HD11 LEU 5 23.953 21.376 12.417
33 HD12 LEU 5 HD12 LEU 5 23.738 22.191 13.967
34 HD13 LEU 5 HD13 LEU 5 22.318 21.848 12.940
35 HD21 LEU 5 HD21 LEU 5 23.785 22.540 10.315
36 HD22 LEU 5 HD22 LEU 5 22.113 23.034 10.690
37 HD23 LEU 5 HD23 LEU 5 23.325 24.247 10.247
38 H ARG 6 H ARG 6 24.331 27.120 13.898
39 HA ARG 6 HA ARG 6 27.030 26.115 13.874
40 HB2 ARG 6 HB2 ARG 6 25.808 28.872 14.235
41 HB3 ARG 6 HB3 ARG 6 27.535 28.649 14.429
42 HG2 ARG 6 HG2 ARG 6 26.258 27.573 11.913
43 HG3 ARG 6 HG3 ARG 6 26.445 29.316 12.095
44 HD2 ARG 6 HD2 ARG 6 28.354 28.419 10.902
45 HD3 ARG 6 HD3 ARG 6 28.847 29.102 12.446
46 HE ARG 6 HE ARG 6 28.485 26.147 11.966
47 HH11 ARG 6 HH11 ARG 6 30.563 28.657 13.421
48 HH12 ARG 6 HH12 ARG 6 31.712 27.418 13.880
49 HH21 ARG 6 HH21 ARG 6 29.824 24.816 12.711
50 HH22 ARG 6 HH22 ARG 6 31.194 25.269 13.734
51 H ARG 7 H ARG 7 25.178 27.569 16.599
52 HA ARG 7 HA ARG 7 27.346 27.219 18.484
53 HB2 ARG 7 HB2 ARG 7 24.351 27.494 18.901
54 HB3 ARG 7 HB3 ARG 7 25.546 27.465 20.199
55 HG2 ARG 7 HG2 ARG 7 26.735 29.401 18.902
56 HG3 ARG 7 HG3 ARG 7 25.217 29.544 18.006
57 HD2 ARG 7 HD2 ARG 7 24.050 29.732 20.270
58 HD3 ARG 7 HD3 ARG 7 25.664 29.848 20.989
59 HE ARG 7 HE ARG 7 25.476 31.786 18.904
60 HH11 ARG 7 HH11 ARG 7 24.398 31.316 22.199
61 HH12 ARG 7 HH12 ARG 7 24.051 33.010 22.432
62 HH21 ARG 7 HH21 ARG 7 24.811 33.848 19.146
63 HH22 ARG 7 HH22 ARG 7 24.302 34.429 20.716
64 H CYS 8 H CYS 8 24.813 24.977 17.478
65 HA CYS 8 HA CYS 8 25.503 22.899 19.371
66 HB2 CYS 8 HB2 CYS 8 23.367 22.877 18.278
67 HB3 CYS 8 HB3 CYS 8 24.106 22.862 16.683
68 H GLU 9 H GLU 9 26.661 23.550 15.995
69 HA GLU 9 HA GLU 9 28.475 21.348 15.853
70 HB2 GLU 9 HB2 GLU 9 28.526 24.090 14.580
71 HB3 GLU 9 HB3 GLU 9 29.724 22.850 14.229
72 HG2 GLU 9 HG2 GLU 9 27.917 21.321 13.499
73 HG3 GLU 9 HG3 GLU 9 26.703 22.602 13.756
74 H LEU 10 H LEU 10 29.045 24.638 17.190
75 HA LEU 10 HA LEU 10 31.751 24.190 18.015
76 HB2 LEU 10 HB2 LEU 10 29.586 26.042 19.088
77 HB3 LEU 10 HB3 LEU 10 31.273 26.139 19.585
78 HG LEU 10 HG LEU 10 30.465 26.245 16.680
79 HD11 LEU 10 HD11 LEU 10 30.552 28.701 16.789
80 HD12 LEU 10 HD12 LEU 10 29.259 28.073 17.801
81 HD13 LEU 10 HD13 LEU 10 30.777 28.630 18.551
82 HD21 LEU 10 HD21 LEU 10 32.894 25.910 17.188
83 HD22 LEU 10 HD22 LEU 10 32.612 27.491 16.450
84 HD23 LEU 10 HD23 LEU 10 32.881 27.373 18.196
85 H SER 11 H SER 11 28.746 23.322 19.520
86 HA SER 11 HA SER 11 29.866 22.552 22.112
87 HB2 SER 11 HB2 SER 11 27.423 22.970 21.707
88 HB3 SER 11 HB3 SER 11 27.356 21.406 20.850
89 HG SER 11 HG SER 11 26.846 21.029 23.003
90 H CYS 12 H CYS 12 29.378 20.807 19.053
91 HA CYS 12 HA CYS 12 30.351 18.263 20.176
92 HB2 CYS 12 HB2 CYS 12 29.631 19.043 17.334
93 HB3 CYS 12 HB3 CYS 12 30.066 17.423 17.899
94 H ARG 13 H ARG 13 31.691 20.944 18.296
95 HA ARG 13 HA ARG 13 34.196 19.909 17.490
96 HB2 ARG 13 HB2 ARG 13 33.433 22.113 16.905
97 HB3 ARG 13 HB3 ARG 13 33.319 22.616 18.578
98 HG2 ARG 13 HG2 ARG 13 35.960 21.927 17.236
99 HG3 ARG 13 HG3 ARG 13 35.233 23.520 17.185
100 HD2 ARG 13 HD2 ARG 13 36.311 22.101 19.648
101 HD3 ARG 13 HD3 ARG 13 36.935 23.533 18.879
102 HE ARG 13 HE ARG 13 34.766 23.380 20.813
103 HH11 ARG 13 HH11 ARG 13 36.083 25.438 18.258
104 HH12 ARG 13 HH12 ARG 13 35.278 26.854 18.898
105 HH21 ARG 13 HH21 ARG 13 33.710 25.243 21.487
106 HH22 ARG 13 HH22 ARG 13 34.051 26.747 20.663
107 H SER 14 H SER 14 33.129 20.908 20.743
108 HA SER 14 HA SER 14 35.772 20.437 21.858
109 HB2 SER 14 HB2 SER 14 33.147 20.967 23.276
110 HB3 SER 14 HB3 SER 14 34.761 20.975 24.028
111 HG SER 14 HG SER 14 34.256 23.050 23.441
112 H LEU 15 H LEU 15 33.659 18.204 20.842
113 HA LEU 15 HA LEU 15 34.846 16.092 22.587
114 HB2 LEU 15 HB2 LEU 15 32.286 16.080 20.939
115 HB3 LEU 15 HB3 LEU 15 32.951 14.664 21.759
116 HG LEU 15 HG LEU 15 32.039 17.195 23.198
117 HD11 LEU 15 HD11 LEU 15 30.155 16.072 22.093
118 HD12 LEU 15 HD12 LEU 15 30.632 14.527 22.828
119 HD13 LEU 15 HD13 LEU 15 30.074 15.867 23.848
120 HD21 LEU 15 HD21 LEU 15 33.697 15.886 24.489
121 HD22 LEU 15 HD22 LEU 15 32.088 15.758 25.205
122 HD23 LEU 15 HD23 LEU 15 32.733 14.416 24.238
123 H GLY 16 H GLY 16 35.377 17.705 19.805
124 HA2 GLY 16 HA2 GLY 16 36.749 17.326 18.036
125 HA3 GLY 16 HA3 GLY 16 36.891 15.623 18.476
126 H LEU 17 H LEU 17 33.668 16.943 18.021
127 HA LEU 17 HA LEU 17 33.390 15.291 15.535
128 HB2 LEU 17 HB2 LEU 17 31.072 15.688 17.373
129 HB3 LEU 17 HB3 LEU 17 31.421 14.342 16.300
130 HG LEU 17 HG LEU 17 32.736 14.966 18.903
131 HD11 LEU 17 HD11 LEU 17 30.576 12.962 18.265
132 HD12 LEU 17 HD12 LEU 17 31.550 12.908 19.751
133 HD13 LEU 17 HD13 LEU 17 30.551 14.319 19.433
134 HD21 LEU 17 HD21 LEU 17 32.902 12.417 17.212
135 HD22 LEU 17 HD22 LEU 17 34.220 13.578 17.394
136 HD23 LEU 17 HD23 LEU 17 33.681 12.644 18.791
137 H LEU 18 H LEU 18 31.196 15.623 14.604
138 HA LEU 18 HA LEU 18 30.623 18.498 13.976
139 HB2 LEU 18 HB2 LEU 18 29.995 15.898 12.564
140 HB3 LEU 18 HB3 LEU 18 29.082 17.347 12.231
141 HG LEU 18 HG LEU 18 30.712 17.038 10.543
142 HD11 LEU 18 HD11 LEU 18 31.804 19.176 10.490
143 HD12 LEU 18 HD12 LEU 18 30.212 19.373 11.240
144 HD13 LEU 18 HD13 LEU 18 31.683 19.358 12.245
145 HD21 LEU 18 HD21 LEU 18 33.102 17.045 10.855
146 HD22 LEU 18 HD22 LEU 18 32.939 17.291 12.602
147 HD23 LEU 18 HD23 LEU 18 32.407 15.762 11.866
148 H GLY 19 H GLY 19 28.368 19.111 13.832
149 HA2 GLY 19 HA2 GLY 19 26.658 17.798 15.927
150 HA3 GLY 19 HA3 GLY 19 26.938 19.530 15.925
151 H GLU 20 H GLU 20 24.500 17.859 15.696
152 HA GLU 20 HA GLU 20 23.207 19.399 13.513
153 HB2 GLU 20 HB2 GLU 20 23.709 17.196 12.586
154 HB3 GLU 20 HB3 GLU 20 23.040 16.401 14.005
155 HG2 GLU 20 HG2 GLU 20 21.518 16.223 12.152
156 HG3 GLU 20 HG3 GLU 20 20.784 17.187 13.426
157 H CYS 21 H CYS 21 21.049 20.006 13.995
158 HA CYS 21 HA CYS 21 20.180 19.410 16.800
159 HB2 CYS 21 HB2 CYS 21 21.246 21.700 16.435
160 HB3 CYS 21 HB3 CYS 21 19.752 22.115 15.580
161 H ILE 22 H ILE 22 18.447 18.269 16.804
162 HA ILE 22 HA ILE 22 16.151 18.855 14.986
163 HB ILE 22 HB ILE 22 17.508 16.171 15.412
164 HG12 ILE 22 HG12 ILE 22 16.795 17.769 12.895
165 HG13 ILE 22 HG13 ILE 22 18.401 17.623 13.607
166 HG21 ILE 22 HG21 ILE 22 14.768 16.670 14.146
167 HG22 ILE 22 HG22 ILE 22 15.645 15.126 14.153
168 HG23 ILE 22 HG23 ILE 22 15.084 15.785 15.663
169 HD11 ILE 22 HD11 ILE 22 16.827 15.426 12.274
170 HD12 ILE 22 HD12 ILE 22 18.369 16.143 11.777
171 HD13 ILE 22 HD13 ILE 22 18.296 15.146 13.248
172 H GLY 23 H GLY 23 14.118 18.402 15.868
173 HA2 GLY 23 HA2 GLY 23 12.596 18.489 17.598
174 HA3 GLY 23 HA3 GLY 23 13.659 17.421 18.535
175 H GLU 24 H GLU 24 14.683 20.572 17.329
176 HA GLU 24 HA GLU 24 15.860 22.189 18.317
177 HB2 GLU 24 HB2 GLU 24 13.537 22.151 20.270
178 HB3 GLU 24 HB3 GLU 24 14.759 23.406 20.168
179 HG2 GLU 24 HG2 GLU 24 13.089 24.307 18.878
180 HG3 GLU 24 HG3 GLU 24 14.188 23.647 17.679
181 H GLU 25 H GLU 25 16.652 19.472 19.115
182 HA GLU 25 HA GLU 25 18.328 20.184 21.480
183 HB2 GLU 25 HB2 GLU 25 17.002 17.537 20.812
184 HB3 GLU 25 HB3 GLU 25 18.294 17.702 21.988
185 HG2 GLU 25 HG2 GLU 25 15.620 19.163 22.147
186 HG3 GLU 25 HG3 GLU 25 15.989 17.650 22.978
187 H CYS 26 H CYS 26 20.439 19.845 21.355
188 HA CYS 26 HA CYS 26 21.587 19.384 18.701
189 HB2 CYS 26 HB2 CYS 26 22.309 21.267 20.086
190 HB3 CYS 26 HB3 CYS 26 22.770 20.159 21.383
191 H LYS 27 H LYS 27 22.659 17.618 18.028
192 HA LYS 27 HA LYS 27 23.689 15.603 19.977
193 HB2 LYS 27 HB2 LYS 27 22.092 14.873 17.494
194 HB3 LYS 27 HB3 LYS 27 22.801 13.754 18.648
195 HG2 LYS 27 HG2 LYS 27 20.545 15.687 19.320
196 HG3 LYS 27 HG3 LYS 27 20.317 14.017 18.824
197 HD2 LYS 27 HD2 LYS 27 21.260 13.149 20.815
198 HD3 LYS 27 HD3 LYS 27 22.058 14.661 21.223
199 HE2 LYS 27 HE2 LYS 27 20.122 14.309 22.662
200 HE3 LYS 27 HE3 LYS 27 19.946 15.768 21.690
201 HZ1 LYS 27 HZ1 LYS 27 18.693 13.171 20.981
202 HZ2 LYS 27 HZ2 LYS 27 17.945 14.366 21.847
203 HZ3 LYS 27 HZ3 LYS 27 18.376 14.623 20.281
204 H CYS 28 H CYS 28 25.583 14.658 19.396
205 HA CYS 28 HA CYS 28 26.932 15.800 17.015
206 HB2 CYS 28 HB2 CYS 28 28.081 14.100 19.237
207 HB3 CYS 28 HB3 CYS 28 28.950 15.098 18.056
208 H VAL 29 H VAL 29 27.592 14.691 15.257
209 HA VAL 29 HA VAL 29 26.271 12.079 14.891
210 HB VAL 29 HB VAL 29 26.772 12.427 12.475
211 HG11 VAL 29 HG11 VAL 29 25.266 14.684 13.853
212 HG12 VAL 29 HG12 VAL 29 25.072 14.153 12.169
213 HG13 VAL 29 HG13 VAL 29 24.618 13.067 13.494
214 HG21 VAL 29 HG21 VAL 29 27.456 14.607 11.662
215 HG22 VAL 29 HG22 VAL 29 27.672 15.203 13.313
216 HG23 VAL 29 HG23 VAL 29 28.739 13.923 12.676
217 HA PRO 30 HA PRO 30 29.897 9.594 14.996
218 HB2 PRO 30 HB2 PRO 30 29.233 7.419 13.543
219 HB3 PRO 30 HB3 PRO 30 28.414 7.832 15.082
220 HG2 PRO 30 HG2 PRO 30 27.494 8.457 12.255
221 HG3 PRO 30 HG3 PRO 30 26.552 7.697 13.578
222 HD2 PRO 30 HD2 PRO 30 26.381 10.350 13.052
223 HD3 PRO 30 HD3 PRO 30 26.343 9.740 14.731
224 H TYR 31 H TYR 31 29.138 11.140 12.162
225 HA TYR 31 HA TYR 31 30.904 9.956 10.268
226 HB2 TYR 31 HB2 TYR 31 29.700 12.739 10.277
227 HB3 TYR 31 HB3 TYR 31 30.210 11.833 8.865
228 HD1 TYR 31 HD1 TYR 31 27.428 13.134 9.651
229 HD2 TYR 31 HD2 TYR 31 28.935 9.089 9.674
230 HE1 TYR 31 HE1 TYR 31 25.104 12.260 9.552
231 HE2 TYR 31 HE2 TYR 31 26.614 8.225 9.566
232 HH TYR 31 HH TYR 31 23.781 10.417 9.415
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 11.977 23.558 22.143
2 H2 ALA 1 H2 ALA 1 10.791 23.745 21.032
3 H3 ALA 1 H3 ALA 1 10.536 24.214 22.599
4 HA ALA 1 HA ALA 1 10.920 26.069 21.053
5 HB1 ALA 1 HB1 ALA 1 12.547 27.251 22.478
6 HB2 ALA 1 HB2 ALA 1 11.378 26.354 23.465
7 HB3 ALA 1 HB3 ALA 1 13.021 25.715 23.235
8 H PHE 2 H PHE 2 12.297 27.088 19.524
9 HA PHE 2 HA PHE 2 13.659 25.460 17.776
10 HB2 PHE 2 HB2 PHE 2 13.471 28.423 18.231
11 HB3 PHE 2 HB3 PHE 2 14.704 27.826 17.141
12 HD1 PHE 2 HD1 PHE 2 10.976 27.457 17.720
13 HD2 PHE 2 HD2 PHE 2 14.236 27.414 14.917
14 HE1 PHE 2 HE1 PHE 2 9.366 27.334 15.851
15 HE2 PHE 2 HE2 PHE 2 12.623 27.280 13.042
16 HZ PHE 2 HZ PHE 2 10.176 27.258 13.499
17 H CYS 3 H CYS 3 15.680 25.043 17.286
18 HA CYS 3 HA CYS 3 17.650 24.976 19.448
19 HB2 CYS 3 HB2 CYS 3 18.643 23.207 18.192
20 HB3 CYS 3 HB3 CYS 3 16.902 22.953 18.216
21 H ASN 4 H ASN 4 19.841 25.231 19.007
22 HA ASN 4 HA ASN 4 20.534 27.599 17.278
23 HB2 ASN 4 HB2 ASN 4 21.507 26.772 20.053
24 HB3 ASN 4 HB3 ASN 4 22.202 28.077 19.097
25 HD21 ASN 4 HD21 ASN 4 18.776 28.828 21.091
26 HD22 ASN 4 HD22 ASN 4 19.441 27.207 21.127
27 H LEU 5 H LEU 5 20.870 25.685 15.652
28 HA LEU 5 HA LEU 5 22.757 23.686 15.996
29 HB2 LEU 5 HB2 LEU 5 21.099 23.738 14.269
30 HB3 LEU 5 HB3 LEU 5 21.856 25.094 13.455
31 HG LEU 5 HG LEU 5 23.412 22.536 13.851
32 HD11 LEU 5 HD11 LEU 5 21.347 23.090 11.687
33 HD12 LEU 5 HD12 LEU 5 22.514 21.757 11.671
34 HD13 LEU 5 HD13 LEU 5 21.280 21.815 12.922
35 HD21 LEU 5 HD21 LEU 5 24.366 23.192 11.615
36 HD22 LEU 5 HD22 LEU 5 23.380 24.659 11.639
37 HD23 LEU 5 HD23 LEU 5 24.676 24.421 12.828
38 H ARG 6 H ARG 6 23.440 26.961 14.684
39 HA ARG 6 HA ARG 6 26.161 26.588 14.034
40 HB2 ARG 6 HB2 ARG 6 24.496 28.605 13.673
41 HB3 ARG 6 HB3 ARG 6 25.023 29.126 15.259
42 HG2 ARG 6 HG2 ARG 6 26.335 30.379 13.856
43 HG3 ARG 6 HG3 ARG 6 27.438 29.083 14.263
44 HD2 ARG 6 HD2 ARG 6 25.699 29.124 11.742
45 HD3 ARG 6 HD3 ARG 6 27.319 29.822 11.811
46 HE ARG 6 HE ARG 6 28.064 27.498 12.600
47 HH11 ARG 6 HH11 ARG 6 25.575 27.872 10.056
48 HH12 ARG 6 HH12 ARG 6 25.934 26.243 9.505
49 HH21 ARG 6 HH21 ARG 6 28.407 25.529 11.638
50 HH22 ARG 6 HH22 ARG 6 27.357 25.046 10.311
51 H ARG 7 H ARG 7 24.754 27.449 17.195
52 HA ARG 7 HA ARG 7 27.338 27.514 18.598
53 HB2 ARG 7 HB2 ARG 7 24.457 27.379 19.614
54 HB3 ARG 7 HB3 ARG 7 25.880 27.519 20.642
55 HG2 ARG 7 HG2 ARG 7 26.493 29.657 19.540
56 HG3 ARG 7 HG3 ARG 7 25.012 29.572 18.568
57 HD2 ARG 7 HD2 ARG 7 23.621 29.614 20.582
58 HD3 ARG 7 HD3 ARG 7 25.043 29.559 21.612
59 HE ARG 7 HE ARG 7 24.005 31.882 20.096
60 HH11 ARG 7 HH11 ARG 7 26.649 30.816 22.165
61 HH12 ARG 7 HH12 ARG 7 26.967 32.437 22.715
62 HH21 ARG 7 HH21 ARG 7 24.413 33.792 20.789
63 HH22 ARG 7 HH22 ARG 7 25.722 34.151 21.907
64 H CYS 8 H CYS 8 24.775 25.106 18.166
65 HA CYS 8 HA CYS 8 25.688 23.113 19.944
66 HB2 CYS 8 HB2 CYS 8 24.267 22.857 17.270
67 HB3 CYS 8 HB3 CYS 8 24.427 21.563 18.435
68 H GLU 9 H GLU 9 26.656 23.627 16.497
69 HA GLU 9 HA GLU 9 28.395 21.349 16.246
70 HB2 GLU 9 HB2 GLU 9 28.193 24.058 14.934
71 HB3 GLU 9 HB3 GLU 9 29.610 23.075 14.637
72 HG2 GLU 9 HG2 GLU 9 26.945 21.713 14.306
73 HG3 GLU 9 HG3 GLU 9 27.388 22.949 13.123
74 H LEU 10 H LEU 10 29.202 24.689 17.391
75 HA LEU 10 HA LEU 10 31.955 24.293 17.703
76 HB2 LEU 10 HB2 LEU 10 30.139 25.972 19.483
77 HB3 LEU 10 HB3 LEU 10 31.880 26.175 19.305
78 HG LEU 10 HG LEU 10 29.822 26.574 17.123
79 HD11 LEU 10 HD11 LEU 10 30.333 28.972 17.370
80 HD12 LEU 10 HD12 LEU 10 29.711 28.294 18.884
81 HD13 LEU 10 HD13 LEU 10 31.451 28.598 18.711
82 HD21 LEU 10 HD21 LEU 10 31.976 25.923 16.132
83 HD22 LEU 10 HD22 LEU 10 31.686 27.635 15.849
84 HD23 LEU 10 HD23 LEU 10 32.823 27.128 17.123
85 H SER 11 H SER 11 29.384 23.431 19.945
86 HA SER 11 HA SER 11 31.083 22.608 22.160
87 HB2 SER 11 HB2 SER 11 28.665 23.030 22.423
88 HB3 SER 11 HB3 SER 11 28.298 21.634 21.443
89 HG SER 11 HG SER 11 28.293 20.782 23.407
90 H CYS 12 H CYS 12 29.655 20.738 19.411
91 HA CYS 12 HA CYS 12 30.755 18.209 20.295
92 HB2 CYS 12 HB2 CYS 12 29.731 19.046 17.555
93 HB3 CYS 12 HB3 CYS 12 30.014 17.386 18.137
94 H ARG 13 H ARG 13 31.782 20.620 17.833
95 HA ARG 13 HA ARG 13 33.988 19.253 16.702
96 HB2 ARG 13 HB2 ARG 13 33.432 22.204 17.278
97 HB3 ARG 13 HB3 ARG 13 34.680 21.613 16.207
98 HG2 ARG 13 HG2 ARG 13 31.915 20.679 15.618
99 HG3 ARG 13 HG3 ARG 13 32.267 22.400 15.376
100 HD2 ARG 13 HD2 ARG 13 34.070 21.885 13.844
101 HD3 ARG 13 HD3 ARG 13 33.885 20.138 14.151
102 HE ARG 13 HE ARG 13 31.380 20.776 13.474
103 HH11 ARG 13 HH11 ARG 13 34.254 21.878 11.695
104 HH12 ARG 13 HH12 ARG 13 33.297 21.992 10.212
105 HH21 ARG 13 HH21 ARG 13 30.393 20.911 11.519
106 HH22 ARG 13 HH22 ARG 13 31.329 21.457 10.120
107 H SER 14 H SER 14 33.670 21.005 19.754
108 HA SER 14 HA SER 14 36.487 20.866 20.460
109 HB2 SER 14 HB2 SER 14 34.138 21.156 22.361
110 HB3 SER 14 HB3 SER 14 35.803 21.664 22.641
111 HG SER 14 HG SER 14 33.937 22.793 20.790
112 H LEU 15 H LEU 15 33.988 18.519 20.571
113 HA LEU 15 HA LEU 15 35.479 16.752 22.451
114 HB2 LEU 15 HB2 LEU 15 32.785 16.391 21.080
115 HB3 LEU 15 HB3 LEU 15 33.505 15.273 22.227
116 HG LEU 15 HG LEU 15 32.638 18.121 22.881
117 HD11 LEU 15 HD11 LEU 15 30.739 16.658 22.323
118 HD12 LEU 15 HD12 LEU 15 31.318 15.448 23.494
119 HD13 LEU 15 HD13 LEU 15 30.766 17.045 24.049
120 HD21 LEU 15 HD21 LEU 15 32.849 17.367 25.238
121 HD22 LEU 15 HD22 LEU 15 33.545 15.830 24.679
122 HD23 LEU 15 HD23 LEU 15 34.401 17.368 24.402
123 H GLY 16 H GLY 16 35.701 17.601 19.256
124 HA2 GLY 16 HA2 GLY 16 36.869 16.608 17.524
125 HA3 GLY 16 HA3 GLY 16 36.947 15.089 18.415
126 H LEU 17 H LEU 17 33.813 16.628 17.932
127 HA LEU 17 HA LEU 17 33.082 14.481 15.945
128 HB2 LEU 17 HB2 LEU 17 30.992 15.615 17.747
129 HB3 LEU 17 HB3 LEU 17 31.061 14.042 16.989
130 HG LEU 17 HG LEU 17 32.655 14.990 19.331
131 HD11 LEU 17 HD11 LEU 17 30.445 14.887 20.072
132 HD12 LEU 17 HD12 LEU 17 30.174 13.284 19.314
133 HD13 LEU 17 HD13 LEU 17 31.256 13.468 20.713
134 HD21 LEU 17 HD21 LEU 17 33.759 13.077 18.123
135 HD22 LEU 17 HD22 LEU 17 33.139 12.546 19.696
136 HD23 LEU 17 HD23 LEU 17 32.246 12.158 18.213
137 H LEU 18 H LEU 18 30.783 15.032 15.166
138 HA LEU 18 HA LEU 18 30.660 17.822 14.060
139 HB2 LEU 18 HB2 LEU 18 29.666 15.161 13.062
140 HB3 LEU 18 HB3 LEU 18 28.855 16.643 12.556
141 HG LEU 18 HG LEU 18 31.862 16.304 12.278
142 HD11 LEU 18 HD11 LEU 18 29.686 15.665 10.253
143 HD12 LEU 18 HD12 LEU 18 31.440 15.670 9.930
144 HD13 LEU 18 HD13 LEU 18 30.750 14.486 11.056
145 HD21 LEU 18 HD21 LEU 18 31.612 18.027 10.541
146 HD22 LEU 18 HD22 LEU 18 29.859 18.080 10.816
147 HD23 LEU 18 HD23 LEU 18 30.981 18.614 12.083
148 H GLY 19 H GLY 19 28.748 18.950 14.250
149 HA2 GLY 19 HA2 GLY 19 26.778 17.995 16.315
150 HA3 GLY 19 HA3 GLY 19 27.083 19.673 15.909
151 H GLU 20 H GLU 20 24.549 18.240 16.000
152 HA GLU 20 HA GLU 20 23.426 19.155 13.440
153 HB2 GLU 20 HB2 GLU 20 23.955 16.906 12.826
154 HB3 GLU 20 HB3 GLU 20 23.467 16.287 14.393
155 HG2 GLU 20 HG2 GLU 20 21.897 15.592 12.803
156 HG3 GLU 20 HG3 GLU 20 21.091 16.714 13.873
157 H CYS 21 H CYS 21 21.232 19.604 13.579
158 HA CYS 21 HA CYS 21 19.940 19.458 16.274
159 HB2 CYS 21 HB2 CYS 21 20.135 21.758 15.615
160 HB3 CYS 21 HB3 CYS 21 19.432 21.409 14.024
161 H ILE 22 H ILE 22 18.348 18.071 16.480
162 HA ILE 22 HA ILE 22 17.526 16.390 14.238
163 HB ILE 22 HB ILE 22 16.801 16.440 17.196
164 HG12 ILE 22 HG12 ILE 22 18.073 14.081 16.837
165 HG13 ILE 22 HG13 ILE 22 18.831 14.945 15.511
166 HG21 ILE 22 HG21 ILE 22 14.917 15.437 15.980
167 HG22 ILE 22 HG22 ILE 22 16.036 14.361 15.108
168 HG23 ILE 22 HG23 ILE 22 15.816 14.217 16.870
169 HD11 ILE 22 HD11 ILE 22 20.136 15.014 17.603
170 HD12 ILE 22 HD12 ILE 22 19.657 16.648 17.150
171 HD13 ILE 22 HD13 ILE 22 18.775 15.796 18.441
172 H GLY 23 H GLY 23 16.144 19.070 16.019
173 HA2 GLY 23 HA2 GLY 23 14.497 19.951 13.935
174 HA3 GLY 23 HA3 GLY 23 13.463 18.989 15.001
175 H GLU 24 H GLU 24 14.204 19.492 17.441
176 HA GLU 24 HA GLU 24 14.440 22.430 17.943
177 HB2 GLU 24 HB2 GLU 24 12.266 20.620 19.066
178 HB3 GLU 24 HB3 GLU 24 12.652 22.238 19.680
179 HG2 GLU 24 HG2 GLU 24 12.187 23.115 17.336
180 HG3 GLU 24 HG3 GLU 24 11.508 21.535 16.960
181 H GLU 25 H GLU 25 15.819 19.537 18.489
182 HA GLU 25 HA GLU 25 17.357 20.615 20.785
183 HB2 GLU 25 HB2 GLU 25 16.023 17.916 20.572
184 HB3 GLU 25 HB3 GLU 25 17.613 17.983 21.305
185 HG2 GLU 25 HG2 GLU 25 15.336 19.777 22.235
186 HG3 GLU 25 HG3 GLU 25 15.565 18.147 22.852
187 H CYS 26 H CYS 26 19.572 19.994 20.728
188 HA CYS 26 HA CYS 26 20.466 18.731 18.178
189 HB2 CYS 26 HB2 CYS 26 22.252 20.290 18.015
190 HB3 CYS 26 HB3 CYS 26 20.745 21.188 18.173
191 H LYS 27 H LYS 27 22.283 17.535 18.164
192 HA LYS 27 HA LYS 27 23.569 16.688 20.731
193 HB2 LYS 27 HB2 LYS 27 22.438 14.836 18.585
194 HB3 LYS 27 HB3 LYS 27 23.348 14.321 20.005
195 HG2 LYS 27 HG2 LYS 27 21.584 15.127 21.505
196 HG3 LYS 27 HG3 LYS 27 20.650 15.719 20.120
197 HD2 LYS 27 HD2 LYS 27 20.615 13.379 19.201
198 HD3 LYS 27 HD3 LYS 27 21.336 12.824 20.729
199 HE2 LYS 27 HE2 LYS 27 19.427 13.837 21.978
200 HE3 LYS 27 HE3 LYS 27 18.739 14.409 20.460
201 HZ1 LYS 27 HZ1 LYS 27 17.673 12.360 21.120
202 HZ2 LYS 27 HZ2 LYS 27 18.544 12.058 19.771
203 HZ3 LYS 27 HZ3 LYS 27 19.115 11.566 21.203
204 H CYS 28 H CYS 28 25.269 14.831 19.782
205 HA CYS 28 HA CYS 28 26.780 16.076 17.519
206 HB2 CYS 28 HB2 CYS 28 27.941 14.405 19.754
207 HB3 CYS 28 HB3 CYS 28 28.812 15.297 18.519
208 H VAL 29 H VAL 29 27.767 14.552 16.044
209 HA VAL 29 HA VAL 29 26.404 11.896 16.003
210 HB VAL 29 HB VAL 29 26.144 12.139 13.560
211 HG11 VAL 29 HG11 VAL 29 24.750 14.319 15.168
212 HG12 VAL 29 HG12 VAL 29 24.190 13.577 13.651
213 HG13 VAL 29 HG13 VAL 29 24.287 12.600 15.125
214 HG21 VAL 29 HG21 VAL 29 26.210 14.390 12.540
215 HG22 VAL 29 HG22 VAL 29 26.945 15.049 14.007
216 HG23 VAL 29 HG23 VAL 29 27.815 13.833 13.033
217 HA PRO 30 HA PRO 30 30.326 10.068 15.310
218 HB2 PRO 30 HB2 PRO 30 29.648 7.633 14.310
219 HB3 PRO 30 HB3 PRO 30 29.211 8.130 15.979
220 HG2 PRO 30 HG2 PRO 30 27.507 8.231 13.463
221 HG3 PRO 30 HG3 PRO 30 27.071 7.548 15.056
222 HD2 PRO 30 HD2 PRO 30 26.352 10.057 14.322
223 HD3 PRO 30 HD3 PRO 30 26.791 9.678 16.005
224 H TYR 31 H TYR 31 28.590 11.150 12.728
225 HA TYR 31 HA TYR 31 29.676 9.901 10.464
226 HB2 TYR 31 HB2 TYR 31 28.664 12.748 10.583
227 HB3 TYR 31 HB3 TYR 31 28.632 11.624 9.204
228 HD1 TYR 31 HD1 TYR 31 27.485 9.207 10.992
229 HD2 TYR 31 HD2 TYR 31 26.343 13.300 10.323
230 HE1 TYR 31 HE1 TYR 31 25.146 8.669 11.607
231 HE2 TYR 31 HE2 TYR 31 23.982 12.732 10.874
232 HH TYR 31 HH TYR 31 22.538 11.098 11.623
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 10.361 25.012 12.189
2 H2 ALA 1 H2 ALA 1 10.213 26.558 11.643
3 H3 ALA 1 H3 ALA 1 10.496 26.262 13.242
4 HA ALA 1 HA ALA 1 12.319 25.681 11.011
5 HB1 ALA 1 HB1 ALA 1 12.150 28.115 11.472
6 HB2 ALA 1 HB2 ALA 1 12.531 27.815 13.181
7 HB3 ALA 1 HB3 ALA 1 13.740 27.488 11.922
8 H PHE 2 H PHE 2 14.557 25.148 11.737
9 HA PHE 2 HA PHE 2 14.628 23.307 14.013
10 HB2 PHE 2 HB2 PHE 2 16.477 23.924 11.703
11 HB3 PHE 2 HB3 PHE 2 17.026 23.031 13.106
12 HD1 PHE 2 HD1 PHE 2 16.778 20.707 13.181
13 HD2 PHE 2 HD2 PHE 2 14.256 22.987 10.527
14 HE1 PHE 2 HE1 PHE 2 15.831 18.610 12.272
15 HE2 PHE 2 HE2 PHE 2 13.300 20.890 9.646
16 HZ PHE 2 HZ PHE 2 14.084 18.692 10.504
17 H CYS 3 H CYS 3 16.067 23.547 15.671
18 HA CYS 3 HA CYS 3 16.523 25.954 16.930
19 HB2 CYS 3 HB2 CYS 3 17.597 24.621 18.564
20 HB3 CYS 3 HB3 CYS 3 16.317 23.662 17.882
21 H ASN 4 H ASN 4 18.618 26.573 17.869
22 HA ASN 4 HA ASN 4 20.185 27.858 15.816
23 HB2 ASN 4 HB2 ASN 4 20.522 27.878 18.843
24 HB3 ASN 4 HB3 ASN 4 21.401 28.901 17.720
25 HD21 ASN 4 HD21 ASN 4 17.692 29.993 18.791
26 HD22 ASN 4 HD22 ASN 4 18.241 28.357 19.194
27 H LEU 5 H LEU 5 20.852 25.564 14.988
28 HA LEU 5 HA LEU 5 22.692 23.876 16.130
29 HB2 LEU 5 HB2 LEU 5 21.393 23.529 14.120
30 HB3 LEU 5 HB3 LEU 5 22.320 24.735 13.241
31 HG LEU 5 HG LEU 5 24.261 23.369 13.158
32 HD11 LEU 5 HD11 LEU 5 22.828 21.495 15.090
33 HD12 LEU 5 HD12 LEU 5 24.275 21.052 14.140
34 HD13 LEU 5 HD13 LEU 5 24.374 22.320 15.344
35 HD21 LEU 5 HD21 LEU 5 21.758 21.665 12.719
36 HD22 LEU 5 HD22 LEU 5 22.447 22.845 11.583
37 HD23 LEU 5 HD23 LEU 5 23.347 21.382 11.988
38 H ARG 6 H ARG 6 23.540 26.933 14.437
39 HA ARG 6 HA ARG 6 26.330 26.763 14.364
40 HB2 ARG 6 HB2 ARG 6 26.270 29.220 14.322
41 HB3 ARG 6 HB3 ARG 6 24.991 28.528 13.326
42 HG2 ARG 6 HG2 ARG 6 23.391 28.878 15.291
43 HG3 ARG 6 HG3 ARG 6 24.676 29.775 16.098
44 HD2 ARG 6 HD2 ARG 6 23.561 30.480 13.347
45 HD3 ARG 6 HD3 ARG 6 22.945 31.091 14.888
46 HE ARG 6 HE ARG 6 25.817 31.528 14.451
47 HH11 ARG 6 HH11 ARG 6 22.599 33.017 14.171
48 HH12 ARG 6 HH12 ARG 6 23.318 34.615 14.232
49 HH21 ARG 6 HH21 ARG 6 26.538 33.560 14.489
50 HH22 ARG 6 HH22 ARG 6 25.415 34.924 14.430
51 H ARG 7 H ARG 7 24.382 27.252 17.253
52 HA ARG 7 HA ARG 7 26.646 28.021 19.005
53 HB2 ARG 7 HB2 ARG 7 23.791 27.117 19.639
54 HB3 ARG 7 HB3 ARG 7 24.962 27.720 20.802
55 HG2 ARG 7 HG2 ARG 7 25.033 29.906 19.604
56 HG3 ARG 7 HG3 ARG 7 23.865 29.284 18.434
57 HD2 ARG 7 HD2 ARG 7 22.485 30.504 19.804
58 HD3 ARG 7 HD3 ARG 7 22.290 28.881 20.448
59 HE ARG 7 HE ARG 7 23.149 29.636 22.472
60 HH11 ARG 7 HH11 ARG 7 24.100 32.043 20.070
61 HH12 ARG 7 HH12 ARG 7 24.485 33.195 21.335
62 HH21 ARG 7 HH21 ARG 7 23.730 31.128 23.942
63 HH22 ARG 7 HH22 ARG 7 24.366 32.677 23.427
64 H CYS 8 H CYS 8 24.981 25.141 18.028
65 HA CYS 8 HA CYS 8 25.986 23.420 20.175
66 HB2 CYS 8 HB2 CYS 8 24.444 22.831 17.615
67 HB3 CYS 8 HB3 CYS 8 24.743 21.683 18.908
68 H GLU 9 H GLU 9 26.731 23.872 16.690
69 HA GLU 9 HA GLU 9 28.233 21.529 16.253
70 HB2 GLU 9 HB2 GLU 9 28.554 24.311 15.061
71 HB3 GLU 9 HB3 GLU 9 29.440 22.890 14.513
72 HG2 GLU 9 HG2 GLU 9 27.187 21.786 14.056
73 HG3 GLU 9 HG3 GLU 9 26.447 23.364 14.336
74 H LEU 10 H LEU 10 29.467 24.692 17.390
75 HA LEU 10 HA LEU 10 32.201 23.998 17.436
76 HB2 LEU 10 HB2 LEU 10 32.523 25.991 18.736
77 HB3 LEU 10 HB3 LEU 10 31.307 26.271 17.508
78 HG LEU 10 HG LEU 10 29.685 25.612 19.614
79 HD11 LEU 10 HD11 LEU 10 30.482 26.724 21.639
80 HD12 LEU 10 HD12 LEU 10 31.627 25.455 21.207
81 HD13 LEU 10 HD13 LEU 10 32.018 27.144 20.851
82 HD21 LEU 10 HD21 LEU 10 30.831 28.365 19.037
83 HD22 LEU 10 HD22 LEU 10 29.460 27.603 18.205
84 HD23 LEU 10 HD23 LEU 10 29.325 28.027 19.918
85 H SER 11 H SER 11 29.729 23.450 19.945
86 HA SER 11 HA SER 11 31.491 22.514 22.010
87 HB2 SER 11 HB2 SER 11 28.630 21.617 21.494
88 HB3 SER 11 HB3 SER 11 29.503 21.595 23.030
89 HG SER 11 HG SER 11 29.531 23.899 22.956
90 H CYS 12 H CYS 12 29.682 20.791 19.395
91 HA CYS 12 HA CYS 12 30.647 18.184 20.163
92 HB2 CYS 12 HB2 CYS 12 29.736 19.113 17.423
93 HB3 CYS 12 HB3 CYS 12 29.955 17.445 17.980
94 H ARG 13 H ARG 13 31.903 20.596 17.715
95 HA ARG 13 HA ARG 13 34.125 19.013 16.895
96 HB2 ARG 13 HB2 ARG 13 33.764 22.038 17.003
97 HB3 ARG 13 HB3 ARG 13 35.001 21.157 16.136
98 HG2 ARG 13 HG2 ARG 13 32.615 19.999 15.179
99 HG3 ARG 13 HG3 ARG 13 32.226 21.702 15.381
100 HD2 ARG 13 HD2 ARG 13 32.909 21.513 13.173
101 HD3 ARG 13 HD3 ARG 13 34.292 22.252 13.999
102 HE ARG 13 HE ARG 13 34.880 19.558 14.093
103 HH11 ARG 13 HH11 ARG 13 34.093 21.603 11.301
104 HH12 ARG 13 HH12 ARG 13 35.145 20.639 10.283
105 HH21 ARG 13 HH21 ARG 13 35.892 18.325 12.683
106 HH22 ARG 13 HH22 ARG 13 35.880 18.686 10.963
107 H SER 14 H SER 14 33.664 21.016 19.794
108 HA SER 14 HA SER 14 36.434 20.869 20.609
109 HB2 SER 14 HB2 SER 14 34.678 22.560 21.393
110 HB3 SER 14 HB3 SER 14 34.028 21.271 22.421
111 HG SER 14 HG SER 14 36.567 22.527 22.465
112 H LEU 15 H LEU 15 33.648 18.760 21.188
113 HA LEU 15 HA LEU 15 35.188 16.824 22.771
114 HB2 LEU 15 HB2 LEU 15 32.519 16.620 21.324
115 HB3 LEU 15 HB3 LEU 15 33.181 15.388 22.393
116 HG LEU 15 HG LEU 15 32.432 18.221 23.247
117 HD11 LEU 15 HD11 LEU 15 30.478 16.862 22.606
118 HD12 LEU 15 HD12 LEU 15 31.022 15.556 23.685
119 HD13 LEU 15 HD13 LEU 15 30.530 17.128 24.354
120 HD21 LEU 15 HD21 LEU 15 33.266 15.781 24.882
121 HD22 LEU 15 HD22 LEU 15 34.184 17.293 24.702
122 HD23 LEU 15 HD23 LEU 15 32.637 17.308 25.543
123 H GLY 16 H GLY 16 35.483 17.722 19.598
124 HA2 GLY 16 HA2 GLY 16 36.894 16.806 18.000
125 HA3 GLY 16 HA3 GLY 16 36.876 15.253 18.840
126 H LEU 17 H LEU 17 33.749 16.547 18.253
127 HA LEU 17 HA LEU 17 33.246 14.458 16.157
128 HB2 LEU 17 HB2 LEU 17 31.037 15.648 17.789
129 HB3 LEU 17 HB3 LEU 17 31.176 14.039 17.104
130 HG LEU 17 HG LEU 17 32.523 15.157 19.543
131 HD11 LEU 17 HD11 LEU 17 30.276 14.803 20.073
132 HD12 LEU 17 HD12 LEU 17 30.240 13.200 19.275
133 HD13 LEU 17 HD13 LEU 17 31.151 13.456 20.778
134 HD21 LEU 17 HD21 LEU 17 32.532 12.264 18.511
135 HD22 LEU 17 HD22 LEU 17 33.944 13.334 18.479
136 HD23 LEU 17 HD23 LEU 17 33.285 12.817 20.025
137 H LEU 18 H LEU 18 30.744 15.239 15.415
138 HA LEU 18 HA LEU 18 30.847 18.018 14.317
139 HB2 LEU 18 HB2 LEU 18 29.829 15.487 12.981
140 HB3 LEU 18 HB3 LEU 18 29.408 17.094 12.450
141 HG LEU 18 HG LEU 18 30.994 16.279 10.983
142 HD11 LEU 18 HD11 LEU 18 32.515 18.192 12.788
143 HD12 LEU 18 HD12 LEU 18 32.819 17.884 11.065
144 HD13 LEU 18 HD13 LEU 18 31.308 18.652 11.563
145 HD21 LEU 18 HD21 LEU 18 32.015 14.531 12.457
146 HD22 LEU 18 HD22 LEU 18 33.170 15.427 11.453
147 HD23 LEU 18 HD23 LEU 18 33.031 15.807 13.170
148 H GLY 19 H GLY 19 28.626 18.836 13.880
149 HA2 GLY 19 HA2 GLY 19 26.741 17.955 16.070
150 HA3 GLY 19 HA3 GLY 19 27.060 19.629 15.674
151 H GLU 20 H GLU 20 24.551 18.077 15.826
152 HA GLU 20 HA GLU 20 23.318 18.911 13.252
153 HB2 GLU 20 HB2 GLU 20 23.861 16.517 13.147
154 HB3 GLU 20 HB3 GLU 20 23.076 16.239 14.700
155 HG2 GLU 20 HG2 GLU 20 21.661 15.445 12.938
156 HG3 GLU 20 HG3 GLU 20 20.881 16.822 13.707
157 H CYS 21 H CYS 21 21.151 19.597 13.444
158 HA CYS 21 HA CYS 21 19.969 19.683 16.201
159 HB2 CYS 21 HB2 CYS 21 20.202 21.918 15.227
160 HB3 CYS 21 HB3 CYS 21 19.250 21.407 13.823
161 H ILE 22 H ILE 22 18.315 18.395 16.625
162 HA ILE 22 HA ILE 22 17.133 16.691 14.550
163 HB ILE 22 HB ILE 22 16.523 16.850 17.512
164 HG12 ILE 22 HG12 ILE 22 18.870 16.379 17.407
165 HG13 ILE 22 HG13 ILE 22 18.021 14.903 17.802
166 HG21 ILE 22 HG21 ILE 22 14.789 15.651 16.348
167 HG22 ILE 22 HG22 ILE 22 15.976 14.691 15.440
168 HG23 ILE 22 HG23 ILE 22 15.794 14.471 17.188
169 HD11 ILE 22 HD11 ILE 22 19.832 14.449 16.222
170 HD12 ILE 22 HD12 ILE 22 18.281 14.130 15.432
171 HD13 ILE 22 HD13 ILE 22 19.180 15.616 15.066
172 H GLY 23 H GLY 23 16.237 19.532 16.327
173 HA2 GLY 23 HA2 GLY 23 14.430 20.603 14.555
174 HA3 GLY 23 HA3 GLY 23 13.410 19.570 15.568
175 H GLU 24 H GLU 24 14.043 19.776 17.999
176 HA GLU 24 HA GLU 24 14.198 22.680 18.780
177 HB2 GLU 24 HB2 GLU 24 12.858 20.307 20.086
178 HB3 GLU 24 HB3 GLU 24 13.006 21.894 20.826
179 HG2 GLU 24 HG2 GLU 24 11.536 21.315 18.213
180 HG3 GLU 24 HG3 GLU 24 10.774 21.508 19.797
181 H GLU 25 H GLU 25 15.936 19.816 18.818
182 HA GLU 25 HA GLU 25 17.736 20.707 20.993
183 HB2 GLU 25 HB2 GLU 25 17.745 18.395 21.854
184 HB3 GLU 25 HB3 GLU 25 16.202 19.206 22.064
185 HG2 GLU 25 HG2 GLU 25 16.761 17.228 19.807
186 HG3 GLU 25 HG3 GLU 25 16.140 16.762 21.373
187 H CYS 26 H CYS 26 19.855 20.166 20.807
188 HA CYS 26 HA CYS 26 20.776 19.258 18.147
189 HB2 CYS 26 HB2 CYS 26 22.169 20.586 20.494
190 HB3 CYS 26 HB3 CYS 26 22.977 20.093 19.011
191 H LYS 27 H LYS 27 22.103 17.483 17.799
192 HA LYS 27 HA LYS 27 23.317 16.071 20.120
193 HB2 LYS 27 HB2 LYS 27 21.791 14.888 17.773
194 HB3 LYS 27 HB3 LYS 27 22.961 13.961 18.714
195 HG2 LYS 27 HG2 LYS 27 21.683 14.285 20.772
196 HG3 LYS 27 HG3 LYS 27 20.544 15.361 19.946
197 HD2 LYS 27 HD2 LYS 27 19.579 13.138 20.210
198 HD3 LYS 27 HD3 LYS 27 19.797 13.565 18.500
199 HE2 LYS 27 HE2 LYS 27 21.810 12.215 18.353
200 HE3 LYS 27 HE3 LYS 27 21.754 11.851 20.086
201 HZ1 LYS 27 HZ1 LYS 27 20.828 10.047 18.696
202 HZ2 LYS 27 HZ2 LYS 27 19.701 10.654 19.741
203 HZ3 LYS 27 HZ3 LYS 27 19.641 11.063 18.154
204 H CYS 28 H CYS 28 25.339 15.222 19.763
205 HA CYS 28 HA CYS 28 26.801 16.059 17.327
206 HB2 CYS 28 HB2 CYS 28 27.804 14.481 19.708
207 HB3 CYS 28 HB3 CYS 28 28.761 15.315 18.480
208 H VAL 29 H VAL 29 27.439 14.699 15.734
209 HA VAL 29 HA VAL 29 25.870 12.209 15.571
210 HB VAL 29 HB VAL 29 26.286 12.377 13.130
211 HG11 VAL 29 HG11 VAL 29 24.809 14.264 12.776
212 HG12 VAL 29 HG12 VAL 29 24.304 13.403 14.240
213 HG13 VAL 29 HG13 VAL 29 25.199 14.928 14.376
214 HG21 VAL 29 HG21 VAL 29 27.623 15.025 13.786
215 HG22 VAL 29 HG22 VAL 29 28.442 13.584 13.129
216 HG23 VAL 29 HG23 VAL 29 27.208 14.437 12.187
217 HA PRO 30 HA PRO 30 29.303 9.388 15.595
218 HB2 PRO 30 HB2 PRO 30 28.330 7.282 14.170
219 HB3 PRO 30 HB3 PRO 30 27.693 7.731 15.784
220 HG2 PRO 30 HG2 PRO 30 26.591 8.436 13.041
221 HG3 PRO 30 HG3 PRO 30 25.699 7.771 14.450
222 HD2 PRO 30 HD2 PRO 30 25.721 10.423 13.886
223 HD3 PRO 30 HD3 PRO 30 25.749 9.840 15.571
224 H TYR 31 H TYR 31 28.518 11.025 12.816
225 HA TYR 31 HA TYR 31 29.827 9.661 10.716
226 HB2 TYR 31 HB2 TYR 31 29.480 12.653 10.921
227 HB3 TYR 31 HB3 TYR 31 29.601 11.686 9.463
228 HD1 TYR 31 HD1 TYR 31 27.538 13.731 9.829
229 HD2 TYR 31 HD2 TYR 31 27.454 9.536 10.835
230 HE1 TYR 31 HE1 TYR 31 25.055 13.776 9.835
231 HE2 TYR 31 HE2 TYR 31 24.974 9.595 10.867
232 HH TYR 31 HH TYR 31 23.123 12.619 10.272
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 10.481 25.735 20.435
2 H2 ALA 1 H2 ALA 1 9.861 24.999 19.112
3 H3 ALA 1 H3 ALA 1 9.200 26.415 19.626
4 HA ALA 1 HA ALA 1 10.517 26.820 17.706
5 HB1 ALA 1 HB1 ALA 1 11.812 27.894 20.252
6 HB2 ALA 1 HB2 ALA 1 12.004 28.573 18.621
7 HB3 ALA 1 HB3 ALA 1 10.414 28.598 19.403
8 H PHE 2 H PHE 2 12.443 26.611 16.515
9 HA PHE 2 HA PHE 2 13.767 24.139 16.981
10 HB2 PHE 2 HB2 PHE 2 14.028 26.248 14.819
11 HB3 PHE 2 HB3 PHE 2 14.962 24.760 14.823
12 HD1 PHE 2 HD1 PHE 2 13.862 22.531 14.628
13 HD2 PHE 2 HD2 PHE 2 11.671 26.213 14.139
14 HE1 PHE 2 HE1 PHE 2 11.983 21.278 13.605
15 HE2 PHE 2 HE2 PHE 2 9.796 24.961 13.120
16 HZ PHE 2 HZ PHE 2 9.943 22.490 12.850
17 H CYS 3 H CYS 3 15.827 23.639 17.145
18 HA CYS 3 HA CYS 3 17.541 25.123 18.857
19 HB2 CYS 3 HB2 CYS 3 19.129 23.200 18.332
20 HB3 CYS 3 HB3 CYS 3 17.631 22.863 19.137
21 H ASN 4 H ASN 4 19.723 25.485 18.524
22 HA ASN 4 HA ASN 4 20.164 27.218 16.128
23 HB2 ASN 4 HB2 ASN 4 21.073 27.533 19.016
24 HB3 ASN 4 HB3 ASN 4 21.385 28.674 17.707
25 HD21 ASN 4 HD21 ASN 4 18.202 30.175 18.020
26 HD22 ASN 4 HD22 ASN 4 19.826 30.277 17.335
27 H LEU 5 H LEU 5 21.133 25.478 14.947
28 HA LEU 5 HA LEU 5 23.122 23.750 15.703
29 HB2 LEU 5 HB2 LEU 5 21.812 23.616 13.638
30 HB3 LEU 5 HB3 LEU 5 22.598 25.064 13.013
31 HG LEU 5 HG LEU 5 24.767 23.875 12.942
32 HD11 LEU 5 HD11 LEU 5 23.118 21.430 13.735
33 HD12 LEU 5 HD12 LEU 5 24.789 21.397 13.142
34 HD13 LEU 5 HD13 LEU 5 24.430 22.163 14.690
35 HD21 LEU 5 HD21 LEU 5 22.496 22.490 11.475
36 HD22 LEU 5 HD22 LEU 5 23.352 23.959 10.959
37 HD23 LEU 5 HD23 LEU 5 24.218 22.424 11.034
38 H ARG 6 H ARG 6 23.679 27.060 14.493
39 HA ARG 6 HA ARG 6 26.482 27.006 14.147
40 HB2 ARG 6 HB2 ARG 6 24.927 28.826 13.469
41 HB3 ARG 6 HB3 ARG 6 24.693 29.270 15.161
42 HG2 ARG 6 HG2 ARG 6 27.127 29.867 15.291
43 HG3 ARG 6 HG3 ARG 6 27.308 29.421 13.594
44 HD2 ARG 6 HD2 ARG 6 27.096 31.859 13.806
45 HD3 ARG 6 HD3 ARG 6 25.747 31.178 12.914
46 HE ARG 6 HE ARG 6 24.319 32.050 14.443
47 HH11 ARG 6 HH11 ARG 6 27.433 31.883 16.152
48 HH12 ARG 6 HH12 ARG 6 26.689 32.454 17.636
49 HH21 ARG 6 HH21 ARG 6 23.607 33.017 16.333
50 HH22 ARG 6 HH22 ARG 6 24.677 33.030 17.731
51 H ARG 7 H ARG 7 24.705 27.391 17.213
52 HA ARG 7 HA ARG 7 27.187 27.915 18.752
53 HB2 ARG 7 HB2 ARG 7 24.329 27.333 19.677
54 HB3 ARG 7 HB3 ARG 7 25.696 27.737 20.723
55 HG2 ARG 7 HG2 ARG 7 25.949 29.890 19.346
56 HG3 ARG 7 HG3 ARG 7 24.363 29.538 18.654
57 HD2 ARG 7 HD2 ARG 7 24.952 29.843 21.627
58 HD3 ARG 7 HD3 ARG 7 24.384 31.140 20.603
59 HE ARG 7 HE ARG 7 22.260 30.197 20.434
60 HH11 ARG 7 HH11 ARG 7 24.182 28.395 22.765
61 HH12 ARG 7 HH12 ARG 7 22.859 27.337 23.179
62 HH21 ARG 7 HH21 ARG 7 20.555 29.141 21.374
63 HH22 ARG 7 HH22 ARG 7 20.842 27.743 22.396
64 H CYS 8 H CYS 8 25.067 25.218 18.066
65 HA CYS 8 HA CYS 8 26.167 23.312 19.903
66 HB2 CYS 8 HB2 CYS 8 23.947 23.093 19.039
67 HB3 CYS 8 HB3 CYS 8 24.519 23.161 17.374
68 H GLU 9 H GLU 9 26.910 23.890 16.399
69 HA GLU 9 HA GLU 9 28.524 21.631 15.973
70 HB2 GLU 9 HB2 GLU 9 28.577 24.430 14.779
71 HB3 GLU 9 HB3 GLU 9 29.746 23.204 14.291
72 HG2 GLU 9 HG2 GLU 9 27.788 21.641 13.826
73 HG3 GLU 9 HG3 GLU 9 26.735 23.038 14.008
74 H LEU 10 H LEU 10 29.533 24.698 17.485
75 HA LEU 10 HA LEU 10 32.325 23.941 17.696
76 HB2 LEU 10 HB2 LEU 10 30.791 25.984 19.344
77 HB3 LEU 10 HB3 LEU 10 32.535 25.906 19.091
78 HG LEU 10 HG LEU 10 30.422 26.540 16.993
79 HD11 LEU 10 HD11 LEU 10 32.593 28.282 18.218
80 HD12 LEU 10 HD12 LEU 10 31.388 28.771 17.007
81 HD13 LEU 10 HD13 LEU 10 30.860 28.336 18.638
82 HD21 LEU 10 HD21 LEU 10 32.300 25.386 15.891
83 HD22 LEU 10 HD22 LEU 10 32.339 27.108 15.504
84 HD23 LEU 10 HD23 LEU 10 33.464 26.452 16.714
85 H SER 11 H SER 11 29.527 23.569 19.851
86 HA SER 11 HA SER 11 30.942 22.576 22.162
87 HB2 SER 11 HB2 SER 11 28.585 23.304 22.255
88 HB3 SER 11 HB3 SER 11 28.120 21.957 21.202
89 HG SER 11 HG SER 11 27.733 21.246 23.207
90 H CYS 12 H CYS 12 29.554 20.888 19.295
91 HA CYS 12 HA CYS 12 30.468 18.284 20.200
92 HB2 CYS 12 HB2 CYS 12 29.614 19.183 17.429
93 HB3 CYS 12 HB3 CYS 12 29.881 17.519 17.978
94 H ARG 13 H ARG 13 31.842 20.667 17.836
95 HA ARG 13 HA ARG 13 34.070 19.034 17.103
96 HB2 ARG 13 HB2 ARG 13 33.169 21.117 15.999
97 HB3 ARG 13 HB3 ARG 13 34.103 22.056 17.179
98 HG2 ARG 13 HG2 ARG 13 36.191 20.962 16.427
99 HG3 ARG 13 HG3 ARG 13 35.282 19.878 15.359
100 HD2 ARG 13 HD2 ARG 13 35.442 22.883 15.156
101 HD3 ARG 13 HD3 ARG 13 36.314 21.731 14.120
102 HE ARG 13 HE ARG 13 33.864 20.898 13.594
103 HH11 ARG 13 HH11 ARG 13 34.826 24.251 13.794
104 HH12 ARG 13 HH12 ARG 13 33.356 24.823 13.040
105 HH21 ARG 13 HH21 ARG 13 32.036 21.640 12.610
106 HH22 ARG 13 HH22 ARG 13 31.861 23.353 12.313
107 H SER 14 H SER 14 33.540 21.019 19.953
108 HA SER 14 HA SER 14 36.249 20.838 20.921
109 HB2 SER 14 HB2 SER 14 33.690 21.168 22.551
110 HB3 SER 14 HB3 SER 14 35.336 21.508 23.102
111 HG SER 14 HG SER 14 33.874 22.841 21.048
112 H LEU 15 H LEU 15 33.755 18.488 20.766
113 HA LEU 15 HA LEU 15 35.265 16.567 22.460
114 HB2 LEU 15 HB2 LEU 15 32.538 16.310 21.151
115 HB3 LEU 15 HB3 LEU 15 33.277 15.148 22.244
116 HG LEU 15 HG LEU 15 32.393 17.965 23.008
117 HD11 LEU 15 HD11 LEU 15 31.157 15.233 23.526
118 HD12 LEU 15 HD12 LEU 15 30.581 16.775 24.190
119 HD13 LEU 15 HD13 LEU 15 30.522 16.491 22.438
120 HD21 LEU 15 HD21 LEU 15 33.375 15.646 24.724
121 HD22 LEU 15 HD22 LEU 15 34.224 17.186 24.455
122 HD23 LEU 15 HD23 LEU 15 32.688 17.171 25.333
123 H GLY 16 H GLY 16 35.611 17.639 19.402
124 HA2 GLY 16 HA2 GLY 16 36.756 16.716 17.608
125 HA3 GLY 16 HA3 GLY 16 36.718 15.136 18.393
126 H LEU 17 H LEU 17 33.654 16.745 17.974
127 HA LEU 17 HA LEU 17 32.953 14.770 15.809
128 HB2 LEU 17 HB2 LEU 17 30.854 15.718 17.686
129 HB3 LEU 17 HB3 LEU 17 30.994 14.178 16.860
130 HG LEU 17 HG LEU 17 32.553 15.119 19.228
131 HD11 LEU 17 HD11 LEU 17 30.173 13.277 19.136
132 HD12 LEU 17 HD12 LEU 17 31.246 13.440 20.542
133 HD13 LEU 17 HD13 LEU 17 30.356 14.847 19.980
134 HD21 LEU 17 HD21 LEU 17 32.287 12.266 18.115
135 HD22 LEU 17 HD22 LEU 17 33.722 13.277 17.884
136 HD23 LEU 17 HD23 LEU 17 33.280 12.749 19.507
137 H LEU 18 H LEU 18 30.608 15.341 15.091
138 HA LEU 18 HA LEU 18 30.466 18.161 14.070
139 HB2 LEU 18 HB2 LEU 18 29.199 15.608 12.981
140 HB3 LEU 18 HB3 LEU 18 28.832 17.222 12.443
141 HG LEU 18 HG LEU 18 31.261 17.493 11.774
142 HD11 LEU 18 HD11 LEU 18 32.413 15.266 11.260
143 HD12 LEU 18 HD12 LEU 18 32.388 15.724 12.948
144 HD13 LEU 18 HD13 LEU 18 31.242 14.504 12.354
145 HD21 LEU 18 HD21 LEU 18 29.662 15.261 10.454
146 HD22 LEU 18 HD22 LEU 18 29.372 17.000 10.220
147 HD23 LEU 18 HD23 LEU 18 30.888 16.292 9.676
148 H GLY 19 H GLY 19 28.241 19.000 13.988
149 HA2 GLY 19 HA2 GLY 19 26.508 18.009 16.242
150 HA3 GLY 19 HA3 GLY 19 26.661 19.699 15.849
151 H GLU 20 H GLU 20 24.335 17.920 16.022
152 HA GLU 20 HA GLU 20 23.100 18.254 13.318
153 HB2 GLU 20 HB2 GLU 20 24.076 16.018 13.512
154 HB3 GLU 20 HB3 GLU 20 23.266 15.768 15.054
155 HG2 GLU 20 HG2 GLU 20 21.044 16.051 13.758
156 HG3 GLU 20 HG3 GLU 20 22.020 15.941 12.288
157 H CYS 21 H CYS 21 21.523 19.701 13.741
158 HA CYS 21 HA CYS 21 19.988 19.672 16.277
159 HB2 CYS 21 HB2 CYS 21 20.770 21.798 15.692
160 HB3 CYS 21 HB3 CYS 21 20.388 21.579 13.994
161 H ILE 22 H ILE 22 18.149 18.669 16.493
162 HA ILE 22 HA ILE 22 16.221 18.409 14.253
163 HB ILE 22 HB ILE 22 17.131 16.138 16.048
164 HG12 ILE 22 HG12 ILE 22 18.555 16.434 14.056
165 HG13 ILE 22 HG13 ILE 22 17.679 14.920 14.052
166 HG21 ILE 22 HG21 ILE 22 14.732 15.969 15.969
167 HG22 ILE 22 HG22 ILE 22 14.703 16.254 14.216
168 HG23 ILE 22 HG23 ILE 22 15.390 14.754 14.877
169 HD11 ILE 22 HD11 ILE 22 17.775 15.932 11.814
170 HD12 ILE 22 HD12 ILE 22 16.105 15.746 12.365
171 HD13 ILE 22 HD13 ILE 22 16.880 17.347 12.392
172 H GLY 23 H GLY 23 14.408 19.256 14.778
173 HA2 GLY 23 HA2 GLY 23 12.719 20.234 15.980
174 HA3 GLY 23 HA3 GLY 23 13.007 19.041 17.251
175 H GLU 24 H GLU 24 13.813 19.748 19.102
176 HA GLU 24 HA GLU 24 14.971 22.516 19.294
177 HB2 GLU 24 HB2 GLU 24 13.845 22.801 21.404
178 HB3 GLU 24 HB3 GLU 24 12.670 22.348 20.172
179 HG2 GLU 24 HG2 GLU 24 12.739 19.980 21.012
180 HG3 GLU 24 HG3 GLU 24 13.871 20.476 22.275
181 H GLU 25 H GLU 25 16.305 19.788 19.033
182 HA GLU 25 HA GLU 25 18.250 20.172 21.260
183 HB2 GLU 25 HB2 GLU 25 17.174 17.477 20.378
184 HB3 GLU 25 HB3 GLU 25 18.364 17.812 21.645
185 HG2 GLU 25 HG2 GLU 25 16.470 19.140 22.799
186 HG3 GLU 25 HG3 GLU 25 15.368 18.356 21.656
187 H CYS 26 H CYS 26 20.369 19.759 20.748
188 HA CYS 26 HA CYS 26 20.971 18.795 18.000
189 HB2 CYS 26 HB2 CYS 26 20.987 21.234 18.134
190 HB3 CYS 26 HB3 CYS 26 22.214 21.163 19.398
191 H LYS 27 H LYS 27 21.474 16.779 18.591
192 HA LYS 27 HA LYS 27 23.600 16.177 20.537
193 HB2 LYS 27 HB2 LYS 27 22.055 14.446 18.555
194 HB3 LYS 27 HB3 LYS 27 23.256 13.844 19.709
195 HG2 LYS 27 HG2 LYS 27 21.899 14.835 21.579
196 HG3 LYS 27 HG3 LYS 27 20.622 15.212 20.417
197 HD2 LYS 27 HD2 LYS 27 21.727 12.456 21.063
198 HD3 LYS 27 HD3 LYS 27 20.210 13.142 21.666
199 HE2 LYS 27 HE2 LYS 27 19.277 13.197 19.410
200 HE3 LYS 27 HE3 LYS 27 20.794 12.618 18.719
201 HZ1 LYS 27 HZ1 LYS 27 19.043 10.862 19.147
202 HZ2 LYS 27 HZ2 LYS 27 20.490 10.504 19.796
203 HZ3 LYS 27 HZ3 LYS 27 19.286 11.074 20.755
204 H CYS 28 H CYS 28 25.432 14.771 19.800
205 HA CYS 28 HA CYS 28 26.669 15.989 17.392
206 HB2 CYS 28 HB2 CYS 28 27.987 14.509 19.670
207 HB3 CYS 28 HB3 CYS 28 28.772 15.440 18.398
208 H VAL 29 H VAL 29 27.954 14.700 15.989
209 HA VAL 29 HA VAL 29 27.527 11.770 15.838
210 HB VAL 29 HB VAL 29 26.824 12.048 13.412
211 HG11 VAL 29 HG11 VAL 29 24.754 13.070 15.370
212 HG12 VAL 29 HG12 VAL 29 24.514 12.195 13.836
213 HG13 VAL 29 HG13 VAL 29 25.253 11.366 15.210
214 HG21 VAL 29 HG21 VAL 29 27.323 14.365 12.970
215 HG22 VAL 29 HG22 VAL 29 25.578 14.139 12.847
216 HG23 VAL 29 HG23 VAL 29 26.242 14.919 14.274
217 HA PRO 30 HA PRO 30 31.457 12.313 13.667
218 HB2 PRO 30 HB2 PRO 30 32.075 9.788 12.999
219 HB3 PRO 30 HB3 PRO 30 31.836 10.256 14.707
220 HG2 PRO 30 HG2 PRO 30 29.832 8.912 12.857
221 HG3 PRO 30 HG3 PRO 30 30.284 8.450 14.526
222 HD2 PRO 30 HD2 PRO 30 28.084 10.023 13.894
223 HD3 PRO 30 HD3 PRO 30 28.970 10.127 15.443
224 H TYR 31 H TYR 31 28.786 10.985 11.787
225 HA TYR 31 HA TYR 31 28.538 10.294 9.636
226 HB2 TYR 31 HB2 TYR 31 29.588 13.097 9.279
227 HB3 TYR 31 HB3 TYR 31 28.692 12.155 8.091
228 HD1 TYR 31 HD1 TYR 31 26.708 11.085 10.556
229 HD2 TYR 31 HD2 TYR 31 27.900 14.853 8.798
230 HE1 TYR 31 HE1 TYR 31 24.497 12.033 11.086
231 HE2 TYR 31 HE2 TYR 31 25.661 15.798 9.362
232 HH TYR 31 HH TYR 31 23.286 14.017 11.290
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 20.966 24.316 27.092
2 H2 ALA 1 H2 ALA 1 20.231 23.297 26.021
3 H3 ALA 1 H3 ALA 1 19.494 24.697 26.496
4 HA ALA 1 HA ALA 1 21.075 26.051 25.425
5 HB1 ALA 1 HB1 ALA 1 23.058 24.674 25.747
6 HB2 ALA 1 HB2 ALA 1 22.418 23.429 24.649
7 HB3 ALA 1 HB3 ALA 1 22.852 25.031 24.023
8 H PHE 2 H PHE 2 20.277 26.890 23.553
9 HA PHE 2 HA PHE 2 18.020 25.769 22.274
10 HB2 PHE 2 HB2 PHE 2 19.899 28.028 21.474
11 HB3 PHE 2 HB3 PHE 2 18.384 27.664 20.666
12 HD1 PHE 2 HD1 PHE 2 19.897 29.454 23.411
13 HD2 PHE 2 HD2 PHE 2 16.202 27.738 21.998
14 HE1 PHE 2 HE1 PHE 2 18.622 30.877 24.999
15 HE2 PHE 2 HE2 PHE 2 14.936 29.144 23.592
16 HZ PHE 2 HZ PHE 2 16.140 30.724 25.097
17 H CYS 3 H CYS 3 17.740 25.045 20.279
18 HA CYS 3 HA CYS 3 19.705 23.299 19.156
19 HB2 CYS 3 HB2 CYS 3 17.070 23.224 19.322
20 HB3 CYS 3 HB3 CYS 3 17.128 23.946 17.727
21 H ASN 4 H ASN 4 20.507 26.098 18.939
22 HA ASN 4 HA ASN 4 20.514 26.950 16.140
23 HB2 ASN 4 HB2 ASN 4 20.804 28.609 17.934
24 HB3 ASN 4 HB3 ASN 4 22.208 27.756 18.554
25 HD21 ASN 4 HD21 ASN 4 22.538 29.864 15.030
26 HD22 ASN 4 HD22 ASN 4 20.956 29.274 15.542
27 H LEU 5 H LEU 5 21.490 25.764 14.598
28 HA LEU 5 HA LEU 5 23.165 23.605 15.268
29 HB2 LEU 5 HB2 LEU 5 21.731 23.698 13.278
30 HB3 LEU 5 HB3 LEU 5 22.730 24.985 12.595
31 HG LEU 5 HG LEU 5 24.663 23.455 12.488
32 HD11 LEU 5 HD11 LEU 5 24.233 20.986 12.783
33 HD12 LEU 5 HD12 LEU 5 24.255 21.887 14.300
34 HD13 LEU 5 HD13 LEU 5 22.701 21.396 13.579
35 HD21 LEU 5 HD21 LEU 5 23.846 22.059 10.668
36 HD22 LEU 5 HD22 LEU 5 22.167 22.263 11.229
37 HD23 LEU 5 HD23 LEU 5 23.067 23.649 10.601
38 H ARG 6 H ARG 6 24.021 26.901 14.236
39 HA ARG 6 HA ARG 6 26.823 26.492 13.949
40 HB2 ARG 6 HB2 ARG 6 25.454 28.469 13.227
41 HB3 ARG 6 HB3 ARG 6 25.422 29.015 14.905
42 HG2 ARG 6 HG2 ARG 6 27.953 29.087 14.832
43 HG3 ARG 6 HG3 ARG 6 27.875 28.680 13.110
44 HD2 ARG 6 HD2 ARG 6 26.586 31.106 14.415
45 HD3 ARG 6 HD3 ARG 6 28.139 31.131 13.589
46 HE ARG 6 HE ARG 6 25.433 30.679 12.357
47 HH11 ARG 6 HH11 ARG 6 28.766 31.936 11.884
48 HH12 ARG 6 HH12 ARG 6 28.276 32.548 10.324
49 HH21 ARG 6 HH21 ARG 6 25.085 31.567 10.337
50 HH22 ARG 6 HH22 ARG 6 26.412 32.387 9.534
51 H ARG 7 H ARG 7 24.986 27.308 16.943
52 HA ARG 7 HA ARG 7 27.302 27.146 18.721
53 HB2 ARG 7 HB2 ARG 7 24.290 27.110 19.095
54 HB3 ARG 7 HB3 ARG 7 25.350 26.634 20.412
55 HG2 ARG 7 HG2 ARG 7 26.574 28.746 20.257
56 HG3 ARG 7 HG3 ARG 7 25.439 29.329 19.025
57 HD2 ARG 7 HD2 ARG 7 23.614 29.380 20.574
58 HD3 ARG 7 HD3 ARG 7 24.441 28.310 21.709
59 HE ARG 7 HE ARG 7 25.621 30.065 22.617
60 HH11 ARG 7 HH11 ARG 7 23.938 31.495 19.843
61 HH12 ARG 7 HH12 ARG 7 24.878 32.977 20.064
62 HH21 ARG 7 HH21 ARG 7 26.520 31.955 22.824
63 HH22 ARG 7 HH22 ARG 7 26.175 33.253 21.651
64 H CYS 8 H CYS 8 24.899 24.763 17.647
65 HA CYS 8 HA CYS 8 25.760 22.707 19.434
66 HB2 CYS 8 HB2 CYS 8 24.344 22.503 16.752
67 HB3 CYS 8 HB3 CYS 8 24.505 21.208 17.941
68 H GLU 9 H GLU 9 26.796 23.422 16.064
69 HA GLU 9 HA GLU 9 28.628 21.205 15.859
70 HB2 GLU 9 HB2 GLU 9 28.469 23.884 14.432
71 HB3 GLU 9 HB3 GLU 9 29.700 22.662 14.080
72 HG2 GLU 9 HG2 GLU 9 27.964 21.012 13.529
73 HG3 GLU 9 HG3 GLU 9 26.703 22.195 13.846
74 H LEU 10 H LEU 10 29.190 24.616 16.942
75 HA LEU 10 HA LEU 10 31.956 24.078 17.470
76 HB2 LEU 10 HB2 LEU 10 32.165 26.246 18.100
77 HB3 LEU 10 HB3 LEU 10 30.795 26.299 17.019
78 HG LEU 10 HG LEU 10 29.424 26.130 19.308
79 HD11 LEU 10 HD11 LEU 10 32.006 27.498 20.172
80 HD12 LEU 10 HD12 LEU 10 30.494 27.402 21.095
81 HD13 LEU 10 HD13 LEU 10 31.421 25.940 20.788
82 HD21 LEU 10 HD21 LEU 10 30.779 28.698 18.440
83 HD22 LEU 10 HD22 LEU 10 29.319 28.012 17.695
84 HD23 LEU 10 HD23 LEU 10 29.285 28.562 19.380
85 H SER 11 H SER 11 29.088 23.606 19.480
86 HA SER 11 HA SER 11 30.520 22.977 21.909
87 HB2 SER 11 HB2 SER 11 28.128 23.400 21.937
88 HB3 SER 11 HB3 SER 11 27.821 21.959 20.949
89 HG SER 11 HG SER 11 28.281 20.664 22.621
90 H CYS 12 H CYS 12 29.429 20.840 19.207
91 HA CYS 12 HA CYS 12 30.511 18.449 20.417
92 HB2 CYS 12 HB2 CYS 12 29.611 19.056 17.586
93 HB3 CYS 12 HB3 CYS 12 30.114 17.457 18.173
94 H ARG 13 H ARG 13 31.922 20.941 18.382
95 HA ARG 13 HA ARG 13 34.332 19.702 17.592
96 HB2 ARG 13 HB2 ARG 13 33.430 22.034 17.085
97 HB3 ARG 13 HB3 ARG 13 34.020 22.526 18.673
98 HG2 ARG 13 HG2 ARG 13 36.312 22.066 18.036
99 HG3 ARG 13 HG3 ARG 13 35.786 21.342 16.501
100 HD2 ARG 13 HD2 ARG 13 36.579 23.592 16.081
101 HD3 ARG 13 HD3 ARG 13 34.835 23.512 15.800
102 HE ARG 13 HE ARG 13 35.675 24.392 18.504
103 HH11 ARG 13 HH11 ARG 13 34.583 25.473 15.319
104 HH12 ARG 13 HH12 ARG 13 34.273 27.078 15.906
105 HH21 ARG 13 HH21 ARG 13 35.391 26.577 19.059
106 HH22 ARG 13 HH22 ARG 13 34.422 27.582 17.988
107 H SER 14 H SER 14 33.238 20.547 20.841
108 HA SER 14 HA SER 14 35.875 20.371 22.029
109 HB2 SER 14 HB2 SER 14 34.790 20.327 24.184
110 HB3 SER 14 HB3 SER 14 33.943 21.508 23.168
111 HG SER 14 HG SER 14 32.287 20.072 22.878
112 H LEU 15 H LEU 15 33.798 17.909 20.885
113 HA LEU 15 HA LEU 15 35.442 15.782 22.186
114 HB2 LEU 15 HB2 LEU 15 32.733 15.712 20.811
115 HB3 LEU 15 HB3 LEU 15 33.571 14.282 21.419
116 HG LEU 15 HG LEU 15 32.651 16.617 23.156
117 HD11 LEU 15 HD11 LEU 15 30.745 15.456 22.131
118 HD12 LEU 15 HD12 LEU 15 31.377 13.892 22.698
119 HD13 LEU 15 HD13 LEU 15 30.841 15.122 23.866
120 HD21 LEU 15 HD21 LEU 15 34.505 15.329 24.175
121 HD22 LEU 15 HD22 LEU 15 32.985 15.025 25.019
122 HD23 LEU 15 HD23 LEU 15 33.620 13.813 23.884
123 H GLY 16 H GLY 16 35.728 17.645 19.577
124 HA2 GLY 16 HA2 GLY 16 36.917 17.442 17.619
125 HA3 GLY 16 HA3 GLY 16 37.128 15.712 17.911
126 H LEU 17 H LEU 17 33.859 17.009 17.938
127 HA LEU 17 HA LEU 17 33.321 15.553 15.358
128 HB2 LEU 17 HB2 LEU 17 31.160 15.824 17.397
129 HB3 LEU 17 HB3 LEU 17 31.404 14.574 16.197
130 HG LEU 17 HG LEU 17 32.882 14.971 18.746
131 HD11 LEU 17 HD11 LEU 17 31.751 12.871 19.505
132 HD12 LEU 17 HD12 LEU 17 30.730 14.291 19.329
133 HD13 LEU 17 HD13 LEU 17 30.696 13.012 18.076
134 HD21 LEU 17 HD21 LEU 17 34.275 13.708 17.034
135 HD22 LEU 17 HD22 LEU 17 33.825 12.666 18.381
136 HD23 LEU 17 HD23 LEU 17 32.941 12.558 16.843
137 H LEU 18 H LEU 18 31.043 16.001 14.699
138 HA LEU 18 HA LEU 18 30.442 18.922 14.450
139 HB2 LEU 18 HB2 LEU 18 29.849 16.492 12.753
140 HB3 LEU 18 HB3 LEU 18 28.702 17.807 12.731
141 HG LEU 18 HG LEU 18 30.283 17.898 10.863
142 HD11 LEU 18 HD11 LEU 18 29.228 19.974 11.625
143 HD12 LEU 18 HD12 LEU 18 30.587 20.277 12.745
144 HD13 LEU 18 HD13 LEU 18 30.857 20.268 11.003
145 HD21 LEU 18 HD21 LEU 18 32.277 17.030 12.120
146 HD22 LEU 18 HD22 LEU 18 32.605 18.460 11.119
147 HD23 LEU 18 HD23 LEU 18 32.441 18.627 12.875
148 H GLY 19 H GLY 19 28.216 19.502 14.531
149 HA2 GLY 19 HA2 GLY 19 26.576 17.964 16.506
150 HA3 GLY 19 HA3 GLY 19 26.568 19.718 16.377
151 H GLU 20 H GLU 20 24.361 17.968 16.217
152 HA GLU 20 HA GLU 20 23.150 18.814 13.621
153 HB2 GLU 20 HB2 GLU 20 23.846 16.439 13.464
154 HB3 GLU 20 HB3 GLU 20 23.017 16.096 14.978
155 HG2 GLU 20 HG2 GLU 20 21.429 15.329 13.599
156 HG3 GLU 20 HG3 GLU 20 20.870 16.982 13.625
157 H CYS 21 H CYS 21 21.086 19.628 13.883
158 HA CYS 21 HA CYS 21 19.936 19.779 16.623
159 HB2 CYS 21 HB2 CYS 21 20.202 21.921 15.602
160 HB3 CYS 21 HB3 CYS 21 19.492 21.361 14.095
161 H ILE 22 H ILE 22 18.251 18.629 17.201
162 HA ILE 22 HA ILE 22 16.418 17.467 15.168
163 HB ILE 22 HB ILE 22 17.281 16.212 17.800
164 HG12 ILE 22 HG12 ILE 22 17.818 14.373 15.849
165 HG13 ILE 22 HG13 ILE 22 18.072 15.812 14.891
166 HG21 ILE 22 HG21 ILE 22 14.876 15.774 17.229
167 HG22 ILE 22 HG22 ILE 22 15.373 15.161 15.648
168 HG23 ILE 22 HG23 ILE 22 15.877 14.337 17.141
169 HD11 ILE 22 HD11 ILE 22 19.723 16.586 16.628
170 HD12 ILE 22 HD12 ILE 22 19.429 15.080 17.525
171 HD13 ILE 22 HD13 ILE 22 20.168 15.031 15.903
172 H GLY 23 H GLY 23 15.436 19.357 15.214
173 HA2 GLY 23 HA2 GLY 23 13.619 20.708 15.554
174 HA3 GLY 23 HA3 GLY 23 13.046 19.522 16.721
175 H GLU 24 H GLU 24 14.351 19.644 18.867
176 HA GLU 24 HA GLU 24 14.545 22.481 19.786
177 HB2 GLU 24 HB2 GLU 24 13.118 22.024 21.643
178 HB3 GLU 24 HB3 GLU 24 12.283 21.539 20.172
179 HG2 GLU 24 HG2 GLU 24 12.847 19.156 20.643
180 HG3 GLU 24 HG3 GLU 24 13.690 19.643 22.114
181 H GLU 25 H GLU 25 16.207 19.506 19.711
182 HA GLU 25 HA GLU 25 18.156 20.609 21.581
183 HB2 GLU 25 HB2 GLU 25 16.907 19.110 23.027
184 HB3 GLU 25 HB3 GLU 25 16.867 17.868 21.795
185 HG2 GLU 25 HG2 GLU 25 18.384 17.235 23.528
186 HG3 GLU 25 HG3 GLU 25 19.218 17.440 22.004
187 H CYS 26 H CYS 26 20.267 20.000 21.150
188 HA CYS 26 HA CYS 26 20.701 18.760 18.493
189 HB2 CYS 26 HB2 CYS 26 22.413 20.507 20.265
190 HB3 CYS 26 HB3 CYS 26 23.038 19.690 18.835
191 H LYS 27 H LYS 27 22.299 17.255 18.113
192 HA LYS 27 HA LYS 27 23.555 15.792 20.387
193 HB2 LYS 27 HB2 LYS 27 22.242 14.427 18.004
194 HB3 LYS 27 HB3 LYS 27 23.057 13.627 19.344
195 HG2 LYS 27 HG2 LYS 27 20.466 15.230 19.588
196 HG3 LYS 27 HG3 LYS 27 20.564 13.488 19.381
197 HD2 LYS 27 HD2 LYS 27 21.678 13.225 21.530
198 HD3 LYS 27 HD3 LYS 27 21.721 14.984 21.773
199 HE2 LYS 27 HE2 LYS 27 19.244 15.072 21.661
200 HE3 LYS 27 HE3 LYS 27 19.182 13.322 21.401
201 HZ1 LYS 27 HZ1 LYS 27 18.781 13.888 23.718
202 HZ2 LYS 27 HZ2 LYS 27 20.230 13.059 23.607
203 HZ3 LYS 27 HZ3 LYS 27 20.215 14.670 23.830
204 H CYS 28 H CYS 28 25.638 14.961 19.883
205 HA CYS 28 HA CYS 28 26.917 16.011 17.456
206 HB2 CYS 28 HB2 CYS 28 28.108 14.124 19.501
207 HB3 CYS 28 HB3 CYS 28 28.958 15.116 18.314
208 H VAL 29 H VAL 29 27.916 14.854 15.831
209 HA VAL 29 HA VAL 29 26.613 12.249 15.155
210 HB VAL 29 HB VAL 29 26.615 13.367 12.755
211 HG11 VAL 29 HG11 VAL 29 24.626 12.586 13.930
212 HG12 VAL 29 HG12 VAL 29 24.555 14.120 14.843
213 HG13 VAL 29 HG13 VAL 29 24.344 14.106 13.068
214 HG21 VAL 29 HG21 VAL 29 26.137 15.749 12.743
215 HG22 VAL 29 HG22 VAL 29 26.367 15.861 14.479
216 HG23 VAL 29 HG23 VAL 29 27.748 15.461 13.423
217 HA PRO 30 HA PRO 30 30.474 10.712 13.797
218 HB2 PRO 30 HB2 PRO 30 29.775 8.947 11.813
219 HB3 PRO 30 HB3 PRO 30 29.362 8.704 13.542
220 HG2 PRO 30 HG2 PRO 30 27.628 9.867 11.343
221 HG3 PRO 30 HG3 PRO 30 27.211 8.573 12.518
222 HD2 PRO 30 HD2 PRO 30 26.496 11.140 12.944
223 HD3 PRO 30 HD3 PRO 30 27.053 10.123 14.299
224 H TYR 31 H TYR 31 28.955 12.862 11.909
225 HA TYR 31 HA TYR 31 29.827 12.644 9.288
226 HB2 TYR 31 HB2 TYR 31 29.194 15.150 10.870
227 HB3 TYR 31 HB3 TYR 31 29.203 15.027 9.128
228 HD1 TYR 31 HD1 TYR 31 26.951 16.222 10.292
229 HD2 TYR 31 HD2 TYR 31 27.677 11.997 9.782
230 HE1 TYR 31 HE1 TYR 31 24.503 15.793 10.321
231 HE2 TYR 31 HE2 TYR 31 25.234 11.581 9.872
232 HH TYR 31 HH TYR 31 22.878 14.209 10.433
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 10.145 28.445 14.788
2 H2 ALA 1 H2 ALA 1 10.260 26.900 15.375
3 H3 ALA 1 H3 ALA 1 10.585 27.221 13.775
4 HA ALA 1 HA ALA 1 12.500 28.470 14.306
5 HB1 ALA 1 HB1 ALA 1 11.730 29.430 16.438
6 HB2 ALA 1 HB2 ALA 1 11.817 27.820 17.205
7 HB3 ALA 1 HB3 ALA 1 13.304 28.624 16.638
8 H PHE 2 H PHE 2 14.529 27.464 14.326
9 HA PHE 2 HA PHE 2 14.560 24.509 14.744
10 HB2 PHE 2 HB2 PHE 2 16.516 26.282 13.255
11 HB3 PHE 2 HB3 PHE 2 16.557 24.526 13.360
12 HD1 PHE 2 HD1 PHE 2 14.515 23.214 12.436
13 HD2 PHE 2 HD2 PHE 2 15.336 27.333 11.483
14 HE1 PHE 2 HE1 PHE 2 12.977 23.071 10.501
15 HE2 PHE 2 HE2 PHE 2 13.829 27.171 9.517
16 HZ PHE 2 HZ PHE 2 12.645 25.046 9.018
17 H CYS 3 H CYS 3 16.903 23.871 15.490
18 HA CYS 3 HA CYS 3 17.410 25.060 18.098
19 HB2 CYS 3 HB2 CYS 3 19.399 23.157 17.447
20 HB3 CYS 3 HB3 CYS 3 18.090 23.017 18.573
21 H ASN 4 H ASN 4 19.522 25.638 18.733
22 HA ASN 4 HA ASN 4 20.882 27.511 16.934
23 HB2 ASN 4 HB2 ASN 4 21.435 26.683 19.810
24 HB3 ASN 4 HB3 ASN 4 22.432 27.822 18.930
25 HD21 ASN 4 HD21 ASN 4 19.987 30.432 18.916
26 HD22 ASN 4 HD22 ASN 4 21.289 29.788 17.945
27 H LEU 5 H LEU 5 21.235 25.548 15.399
28 HA LEU 5 HA LEU 5 23.170 23.566 15.762
29 HB2 LEU 5 HB2 LEU 5 21.582 23.646 13.929
30 HB3 LEU 5 HB3 LEU 5 22.346 25.092 13.276
31 HG LEU 5 HG LEU 5 24.385 23.842 12.751
32 HD11 LEU 5 HD11 LEU 5 22.908 21.397 13.845
33 HD12 LEU 5 HD12 LEU 5 24.416 21.352 12.903
34 HD13 LEU 5 HD13 LEU 5 24.409 22.107 14.495
35 HD21 LEU 5 HD21 LEU 5 22.520 23.932 11.115
36 HD22 LEU 5 HD22 LEU 5 23.460 22.441 10.963
37 HD23 LEU 5 HD23 LEU 5 21.880 22.402 11.772
38 H ARG 6 H ARG 6 23.717 26.989 14.791
39 HA ARG 6 HA ARG 6 26.554 26.612 14.223
40 HB2 ARG 6 HB2 ARG 6 24.838 29.089 14.623
41 HB3 ARG 6 HB3 ARG 6 26.549 29.134 14.225
42 HG2 ARG 6 HG2 ARG 6 26.169 27.826 12.178
43 HG3 ARG 6 HG3 ARG 6 24.428 27.773 12.502
44 HD2 ARG 6 HD2 ARG 6 26.043 30.338 12.115
45 HD3 ARG 6 HD3 ARG 6 25.169 29.510 10.843
46 HE ARG 6 HE ARG 6 23.064 30.028 11.879
47 HH11 ARG 6 HH11 ARG 6 25.707 31.678 13.593
48 HH12 ARG 6 HH12 ARG 6 24.568 32.818 14.273
49 HH21 ARG 6 HH21 ARG 6 21.792 31.379 12.889
50 HH22 ARG 6 HH22 ARG 6 22.407 32.509 14.077
51 H ARG 7 H ARG 7 24.949 26.848 17.218
52 HA ARG 7 HA ARG 7 27.499 27.559 18.647
53 HB2 ARG 7 HB2 ARG 7 24.739 27.025 19.828
54 HB3 ARG 7 HB3 ARG 7 26.187 27.571 20.675
55 HG2 ARG 7 HG2 ARG 7 26.102 29.622 19.028
56 HG3 ARG 7 HG3 ARG 7 24.443 29.096 18.703
57 HD2 ARG 7 HD2 ARG 7 24.236 30.670 20.463
58 HD3 ARG 7 HD3 ARG 7 24.119 29.099 21.274
59 HE ARG 7 HE ARG 7 26.874 29.896 21.199
60 HH11 ARG 7 HH11 ARG 7 23.964 30.789 22.992
61 HH12 ARG 7 HH12 ARG 7 24.953 31.738 24.119
62 HH21 ARG 7 HH21 ARG 7 27.919 30.829 22.786
63 HH22 ARG 7 HH22 ARG 7 27.032 31.714 24.059
64 H CYS 8 H CYS 8 25.076 25.026 18.294
65 HA CYS 8 HA CYS 8 26.188 22.971 19.869
66 HB2 CYS 8 HB2 CYS 8 23.959 22.932 19.007
67 HB3 CYS 8 HB3 CYS 8 24.533 23.115 17.358
68 H GLU 9 H GLU 9 26.901 23.769 16.414
69 HA GLU 9 HA GLU 9 28.749 21.683 15.930
70 HB2 GLU 9 HB2 GLU 9 28.521 24.527 14.872
71 HB3 GLU 9 HB3 GLU 9 29.830 23.442 14.378
72 HG2 GLU 9 HG2 GLU 9 28.082 21.720 13.751
73 HG3 GLU 9 HG3 GLU 9 26.858 22.965 13.953
74 H LEU 10 H LEU 10 29.356 24.835 17.552
75 HA LEU 10 HA LEU 10 32.190 24.444 17.864
76 HB2 LEU 10 HB2 LEU 10 30.392 26.083 19.679
77 HB3 LEU 10 HB3 LEU 10 32.107 26.305 19.375
78 HG LEU 10 HG LEU 10 29.892 26.778 17.336
79 HD11 LEU 10 HD11 LEU 10 29.822 28.392 19.191
80 HD12 LEU 10 HD12 LEU 10 31.543 28.762 18.941
81 HD13 LEU 10 HD13 LEU 10 30.349 29.159 17.685
82 HD21 LEU 10 HD21 LEU 10 32.080 26.210 16.280
83 HD22 LEU 10 HD22 LEU 10 31.602 27.889 15.990
84 HD23 LEU 10 HD23 LEU 10 32.837 27.523 17.210
85 H SER 11 H SER 11 29.387 23.778 20.000
86 HA SER 11 HA SER 11 30.716 22.750 22.261
87 HB2 SER 11 HB2 SER 11 28.111 21.658 21.143
88 HB3 SER 11 HB3 SER 11 28.644 21.641 22.807
89 HG SER 11 HG SER 11 27.041 23.240 22.079
90 H CYS 12 H CYS 12 29.598 20.977 19.339
91 HA CYS 12 HA CYS 12 30.598 18.420 20.311
92 HB2 CYS 12 HB2 CYS 12 29.541 19.190 17.561
93 HB3 CYS 12 HB3 CYS 12 29.896 17.553 18.140
94 H ARG 13 H ARG 13 31.841 20.925 18.063
95 HA ARG 13 HA ARG 13 34.034 19.394 17.048
96 HB2 ARG 13 HB2 ARG 13 33.192 21.554 16.116
97 HB3 ARG 13 HB3 ARG 13 33.821 22.397 17.518
98 HG2 ARG 13 HG2 ARG 13 35.335 22.704 15.689
99 HG3 ARG 13 HG3 ARG 13 36.137 21.653 16.848
100 HD2 ARG 13 HD2 ARG 13 36.561 20.850 14.621
101 HD3 ARG 13 HD3 ARG 13 35.516 19.680 15.438
102 HE ARG 13 HE ARG 13 33.988 21.645 13.932
103 HH11 ARG 13 HH11 ARG 13 36.034 18.847 13.326
104 HH12 ARG 13 HH12 ARG 13 35.193 18.446 11.843
105 HH21 ARG 13 HH21 ARG 13 32.892 21.015 12.094
106 HH22 ARG 13 HH22 ARG 13 33.619 19.800 11.074
107 H SER 14 H SER 14 33.601 21.032 20.150
108 HA SER 14 HA SER 14 36.367 20.685 20.979
109 HB2 SER 14 HB2 SER 14 34.832 22.348 21.994
110 HB3 SER 14 HB3 SER 14 33.871 21.023 22.682
111 HG SER 14 HG SER 14 36.620 21.619 23.194
112 H LEU 15 H LEU 15 33.655 18.502 20.884
113 HA LEU 15 HA LEU 15 35.030 16.391 22.420
114 HB2 LEU 15 HB2 LEU 15 32.451 16.290 20.825
115 HB3 LEU 15 HB3 LEU 15 33.027 15.080 21.959
116 HG LEU 15 HG LEU 15 32.129 17.915 22.647
117 HD11 LEU 15 HD11 LEU 15 30.301 16.407 21.951
118 HD12 LEU 15 HD12 LEU 15 30.817 15.220 23.169
119 HD13 LEU 15 HD13 LEU 15 30.202 16.810 23.671
120 HD21 LEU 15 HD21 LEU 15 33.816 17.153 24.262
121 HD22 LEU 15 HD22 LEU 15 32.210 17.134 25.003
122 HD23 LEU 15 HD23 LEU 15 32.943 15.612 24.453
123 H GLY 16 H GLY 16 35.446 17.661 19.383
124 HA2 GLY 16 HA2 GLY 16 36.705 16.928 17.590
125 HA3 GLY 16 HA3 GLY 16 36.750 15.292 18.253
126 H LEU 17 H LEU 17 33.640 16.920 17.846
127 HA LEU 17 HA LEU 17 32.978 15.037 15.605
128 HB2 LEU 17 HB2 LEU 17 30.855 15.747 17.568
129 HB3 LEU 17 HB3 LEU 17 31.040 14.296 16.604
130 HG LEU 17 HG LEU 17 32.594 15.048 19.025
131 HD11 LEU 17 HD11 LEU 17 30.405 14.676 19.779
132 HD12 LEU 17 HD12 LEU 17 30.236 13.192 18.794
133 HD13 LEU 17 HD13 LEU 17 31.321 13.232 20.200
134 HD21 LEU 17 HD21 LEU 17 33.777 13.347 17.525
135 HD22 LEU 17 HD22 LEU 17 33.352 12.665 19.098
136 HD23 LEU 17 HD23 LEU 17 32.358 12.303 17.670
137 H LEU 18 H LEU 18 30.805 15.434 14.816
138 HA LEU 18 HA LEU 18 30.359 18.258 13.968
139 HB2 LEU 18 HB2 LEU 18 29.719 15.570 12.810
140 HB3 LEU 18 HB3 LEU 18 28.550 16.853 12.541
141 HG LEU 18 HG LEU 18 30.139 16.581 10.703
142 HD11 LEU 18 HD11 LEU 18 29.043 18.756 11.077
143 HD12 LEU 18 HD12 LEU 18 30.426 19.283 12.065
144 HD13 LEU 18 HD13 LEU 18 30.640 18.932 10.346
145 HD21 LEU 18 HD21 LEU 18 32.453 17.316 10.850
146 HD22 LEU 18 HD22 LEU 18 32.281 17.676 12.578
147 HD23 LEU 18 HD23 LEU 18 32.180 16.000 11.998
148 H GLY 19 H GLY 19 28.145 19.017 13.940
149 HA2 GLY 19 HA2 GLY 19 26.505 18.079 16.268
150 HA3 GLY 19 HA3 GLY 19 26.493 19.711 15.633
151 H GLU 20 H GLU 20 24.243 17.948 16.013
152 HA GLU 20 HA GLU 20 23.062 18.135 13.293
153 HB2 GLU 20 HB2 GLU 20 23.922 15.823 13.607
154 HB3 GLU 20 HB3 GLU 20 22.903 15.660 15.041
155 HG2 GLU 20 HG2 GLU 20 21.254 14.934 13.701
156 HG3 GLU 20 HG3 GLU 20 21.107 16.541 13.058
157 H CYS 21 H CYS 21 21.261 19.278 13.390
158 HA CYS 21 HA CYS 21 19.803 19.639 15.962
159 HB2 CYS 21 HB2 CYS 21 20.584 21.680 15.116
160 HB3 CYS 21 HB3 CYS 21 20.136 21.263 13.458
161 H ILE 22 H ILE 22 18.046 18.485 16.288
162 HA ILE 22 HA ILE 22 16.096 17.948 14.112
163 HB ILE 22 HB ILE 22 17.198 15.840 16.007
164 HG12 ILE 22 HG12 ILE 22 18.778 16.240 14.156
165 HG13 ILE 22 HG13 ILE 22 18.077 14.643 14.149
166 HG21 ILE 22 HG21 ILE 22 14.848 15.413 15.697
167 HG22 ILE 22 HG22 ILE 22 14.966 15.664 13.947
168 HG23 ILE 22 HG23 ILE 22 15.735 14.260 14.697
169 HD11 ILE 22 HD11 ILE 22 17.105 16.878 12.320
170 HD12 ILE 22 HD12 ILE 22 18.304 15.647 11.879
171 HD13 ILE 22 HD13 ILE 22 16.647 15.162 12.272
172 H GLY 23 H GLY 23 14.112 18.467 14.776
173 HA2 GLY 23 HA2 GLY 23 12.307 18.987 16.098
174 HA3 GLY 23 HA3 GLY 23 12.850 17.652 17.126
175 H GLU 24 H GLU 24 14.378 20.846 16.553
176 HA GLU 24 HA GLU 24 15.153 22.461 17.898
177 HB2 GLU 24 HB2 GLU 24 12.942 21.776 19.844
178 HB3 GLU 24 HB3 GLU 24 13.867 23.269 19.795
179 HG2 GLU 24 HG2 GLU 24 12.888 23.900 17.663
180 HG3 GLU 24 HG3 GLU 24 11.980 22.379 17.592
181 H GLU 25 H GLU 25 16.067 19.517 18.505
182 HA GLU 25 HA GLU 25 17.810 20.431 20.768
183 HB2 GLU 25 HB2 GLU 25 16.992 17.567 20.212
184 HB3 GLU 25 HB3 GLU 25 18.115 18.098 21.448
185 HG2 GLU 25 HG2 GLU 25 15.137 18.723 21.355
186 HG3 GLU 25 HG3 GLU 25 15.908 17.502 22.356
187 H CYS 26 H CYS 26 20.020 20.127 20.491
188 HA CYS 26 HA CYS 26 20.846 19.070 17.837
189 HB2 CYS 26 HB2 CYS 26 20.812 21.499 17.868
190 HB3 CYS 26 HB3 CYS 26 22.046 21.488 19.141
191 H LYS 27 H LYS 27 21.528 17.185 18.283
192 HA LYS 27 HA LYS 27 23.393 16.506 20.479
193 HB2 LYS 27 HB2 LYS 27 22.029 14.928 18.239
194 HB3 LYS 27 HB3 LYS 27 23.089 14.193 19.431
195 HG2 LYS 27 HG2 LYS 27 20.506 15.671 20.152
196 HG3 LYS 27 HG3 LYS 27 20.652 13.927 19.913
197 HD2 LYS 27 HD2 LYS 27 22.321 13.784 21.689
198 HD3 LYS 27 HD3 LYS 27 22.174 15.525 22.022
199 HE2 LYS 27 HE2 LYS 27 19.828 15.247 22.624
200 HE3 LYS 27 HE3 LYS 27 19.877 13.536 22.176
201 HZ1 LYS 27 HZ1 LYS 27 21.411 14.766 24.391
202 HZ2 LYS 27 HZ2 LYS 27 20.104 13.794 24.548
203 HZ3 LYS 27 HZ3 LYS 27 21.500 13.175 23.949
204 H CYS 28 H CYS 28 25.265 15.065 19.832
205 HA CYS 28 HA CYS 28 26.727 16.216 17.486
206 HB2 CYS 28 HB2 CYS 28 27.795 14.460 19.702
207 HB3 CYS 28 HB3 CYS 28 28.716 15.354 18.498
208 H VAL 29 H VAL 29 27.982 14.728 16.139
209 HA VAL 29 HA VAL 29 26.804 12.023 15.806
210 HB VAL 29 HB VAL 29 26.691 12.578 13.271
211 HG11 VAL 29 HG11 VAL 29 24.392 13.266 13.407
212 HG12 VAL 29 HG12 VAL 29 24.727 12.031 14.621
213 HG13 VAL 29 HG13 VAL 29 24.578 13.735 15.113
214 HG21 VAL 29 HG21 VAL 29 27.706 14.803 13.374
215 HG22 VAL 29 HG22 VAL 29 26.073 14.875 12.709
216 HG23 VAL 29 HG23 VAL 29 26.358 15.405 14.367
217 HA PRO 30 HA PRO 30 30.922 10.823 14.851
218 HB2 PRO 30 HB2 PRO 30 30.524 8.403 13.658
219 HB3 PRO 30 HB3 PRO 30 30.113 8.707 15.375
220 HG2 PRO 30 HG2 PRO 30 28.267 8.783 12.959
221 HG3 PRO 30 HG3 PRO 30 28.025 7.911 14.512
222 HD2 PRO 30 HD2 PRO 30 26.928 10.350 14.059
223 HD3 PRO 30 HD3 PRO 30 27.568 9.913 15.670
224 H TYR 31 H TYR 31 28.960 11.811 12.355
225 HA TYR 31 HA TYR 31 29.847 10.881 9.950
226 HB2 TYR 31 HB2 TYR 31 29.194 13.777 10.577
227 HB3 TYR 31 HB3 TYR 31 29.109 13.022 8.996
228 HD1 TYR 31 HD1 TYR 31 26.963 14.626 10.299
229 HD2 TYR 31 HD2 TYR 31 27.663 10.365 10.334
230 HE1 TYR 31 HE1 TYR 31 24.534 14.226 10.489
231 HE2 TYR 31 HE2 TYR 31 25.218 9.981 10.559
232 HH TYR 31 HH TYR 31 22.918 12.699 10.941
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 14.015 24.825 25.025
2 H2 ALA 1 H2 ALA 1 12.517 24.464 24.417
3 H3 ALA 1 H3 ALA 1 13.207 25.942 24.158
4 HA ALA 1 HA ALA 1 14.334 23.433 23.155
5 HB1 ALA 1 HB1 ALA 1 12.210 23.760 22.028
6 HB2 ALA 1 HB2 ALA 1 12.583 25.468 21.716
7 HB3 ALA 1 HB3 ALA 1 13.512 24.177 20.909
8 H PHE 2 H PHE 2 16.275 23.605 22.329
9 HA PHE 2 HA PHE 2 17.530 26.272 21.893
10 HB2 PHE 2 HB2 PHE 2 18.679 24.108 23.678
11 HB3 PHE 2 HB3 PHE 2 19.335 25.716 23.381
12 HD1 PHE 2 HD1 PHE 2 17.119 23.736 25.451
13 HD2 PHE 2 HD2 PHE 2 17.899 27.756 24.091
14 HE1 PHE 2 HE1 PHE 2 15.631 24.619 27.219
15 HE2 PHE 2 HE2 PHE 2 16.406 28.638 25.858
16 HZ PHE 2 HZ PHE 2 15.264 27.081 27.428
17 H CYS 3 H CYS 3 16.825 24.745 19.811
18 HA CYS 3 HA CYS 3 18.874 22.796 19.043
19 HB2 CYS 3 HB2 CYS 3 16.239 22.857 18.683
20 HB3 CYS 3 HB3 CYS 3 16.674 23.666 17.190
21 H ASN 4 H ASN 4 20.041 25.224 19.420
22 HA ASN 4 HA ASN 4 20.197 26.824 16.991
23 HB2 ASN 4 HB2 ASN 4 21.656 27.093 19.637
24 HB3 ASN 4 HB3 ASN 4 21.473 28.324 18.375
25 HD21 ASN 4 HD21 ASN 4 18.015 28.961 19.219
26 HD22 ASN 4 HD22 ASN 4 19.084 28.905 17.825
27 H LEU 5 H LEU 5 20.944 25.206 15.594
28 HA LEU 5 HA LEU 5 23.001 23.482 15.802
29 HB2 LEU 5 HB2 LEU 5 21.382 23.515 14.003
30 HB3 LEU 5 HB3 LEU 5 22.028 25.032 13.381
31 HG LEU 5 HG LEU 5 24.120 23.947 12.736
32 HD11 LEU 5 HD11 LEU 5 24.296 21.451 12.805
33 HD12 LEU 5 HD12 LEU 5 24.334 22.165 14.415
34 HD13 LEU 5 HD13 LEU 5 22.838 21.411 13.821
35 HD21 LEU 5 HD21 LEU 5 22.226 23.957 11.155
36 HD22 LEU 5 HD22 LEU 5 23.220 22.506 10.963
37 HD23 LEU 5 HD23 LEU 5 21.659 22.401 11.802
38 H ARG 6 H ARG 6 23.459 26.894 14.715
39 HA ARG 6 HA ARG 6 26.215 26.655 14.029
40 HB2 ARG 6 HB2 ARG 6 24.499 28.980 14.986
41 HB3 ARG 6 HB3 ARG 6 26.215 29.189 14.585
42 HG2 ARG 6 HG2 ARG 6 25.893 28.360 12.345
43 HG3 ARG 6 HG3 ARG 6 24.195 27.957 12.655
44 HD2 ARG 6 HD2 ARG 6 23.591 30.273 12.876
45 HD3 ARG 6 HD3 ARG 6 25.294 30.779 12.884
46 HE ARG 6 HE ARG 6 24.787 29.329 10.482
47 HH11 ARG 6 HH11 ARG 6 23.764 32.434 11.840
48 HH12 ARG 6 HH12 ARG 6 23.894 33.205 10.248
49 HH21 ARG 6 HH21 ARG 6 25.089 30.554 8.586
50 HH22 ARG 6 HH22 ARG 6 24.549 32.229 8.599
51 H ARG 7 H ARG 7 24.817 27.094 17.228
52 HA ARG 7 HA ARG 7 27.439 27.308 18.604
53 HB2 ARG 7 HB2 ARG 7 24.531 27.166 19.516
54 HB3 ARG 7 HB3 ARG 7 25.888 27.076 20.646
55 HG2 ARG 7 HG2 ARG 7 26.727 29.213 19.949
56 HG3 ARG 7 HG3 ARG 7 25.542 29.375 18.661
57 HD2 ARG 7 HD2 ARG 7 24.572 29.009 21.506
58 HD3 ARG 7 HD3 ARG 7 25.210 30.577 21.000
59 HE ARG 7 HE ARG 7 23.525 30.327 19.021
60 HH11 ARG 7 HH11 ARG 7 22.657 29.184 22.283
61 HH12 ARG 7 HH12 ARG 7 21.058 29.841 22.068
62 HH21 ARG 7 HH21 ARG 7 21.336 30.917 18.928
63 HH22 ARG 7 HH22 ARG 7 20.384 30.714 20.386
64 H CYS 8 H CYS 8 24.956 24.866 18.021
65 HA CYS 8 HA CYS 8 26.092 22.808 19.641
66 HB2 CYS 8 HB2 CYS 8 24.429 22.516 17.120
67 HB3 CYS 8 HB3 CYS 8 24.674 21.300 18.373
68 H GLU 9 H GLU 9 26.748 23.644 16.212
69 HA GLU 9 HA GLU 9 28.517 21.563 15.491
70 HB2 GLU 9 HB2 GLU 9 28.525 24.533 14.828
71 HB3 GLU 9 HB3 GLU 9 29.661 23.389 14.115
72 HG2 GLU 9 HG2 GLU 9 27.809 22.087 13.152
73 HG3 GLU 9 HG3 GLU 9 26.639 23.214 13.815
74 H LEU 10 H LEU 10 29.402 24.697 17.050
75 HA LEU 10 HA LEU 10 32.150 23.858 17.404
76 HB2 LEU 10 HB2 LEU 10 32.444 26.001 18.538
77 HB3 LEU 10 HB3 LEU 10 31.733 26.097 16.942
78 HG LEU 10 HG LEU 10 29.455 26.326 18.161
79 HD11 LEU 10 HD11 LEU 10 30.249 25.832 20.496
80 HD12 LEU 10 HD12 LEU 10 31.329 27.237 20.399
81 HD13 LEU 10 HD13 LEU 10 29.567 27.440 20.350
82 HD21 LEU 10 HD21 LEU 10 29.752 28.736 18.359
83 HD22 LEU 10 HD22 LEU 10 31.521 28.541 18.267
84 HD23 LEU 10 HD23 LEU 10 30.490 28.106 16.880
85 H SER 11 H SER 11 29.311 23.624 19.459
86 HA SER 11 HA SER 11 30.702 22.945 21.876
87 HB2 SER 11 HB2 SER 11 28.262 23.546 21.670
88 HB3 SER 11 HB3 SER 11 27.975 21.923 21.013
89 HG SER 11 HG SER 11 28.867 22.729 23.572
90 H CYS 12 H CYS 12 29.512 20.844 19.201
91 HA CYS 12 HA CYS 12 30.614 18.412 20.404
92 HB2 CYS 12 HB2 CYS 12 29.630 18.918 17.583
93 HB3 CYS 12 HB3 CYS 12 30.028 17.345 18.291
94 H ARG 13 H ARG 13 31.778 20.851 18.094
95 HA ARG 13 HA ARG 13 34.114 19.580 17.080
96 HB2 ARG 13 HB2 ARG 13 33.193 21.801 16.451
97 HB3 ARG 13 HB3 ARG 13 33.860 22.462 17.958
98 HG2 ARG 13 HG2 ARG 13 36.122 21.876 17.271
99 HG3 ARG 13 HG3 ARG 13 35.527 21.056 15.816
100 HD2 ARG 13 HD2 ARG 13 35.120 23.967 16.507
101 HD3 ARG 13 HD3 ARG 13 36.396 23.364 15.421
102 HE ARG 13 HE ARG 13 34.354 22.389 14.092
103 HH11 ARG 13 HH11 ARG 13 34.677 25.632 15.371
104 HH12 ARG 13 HH12 ARG 13 33.489 26.281 14.255
105 HH21 ARG 13 HH21 ARG 13 32.674 23.216 12.868
106 HH22 ARG 13 HH22 ARG 13 32.380 24.928 12.870
107 H SER 14 H SER 14 33.481 20.958 20.292
108 HA SER 14 HA SER 14 36.221 20.545 21.182
109 HB2 SER 14 HB2 SER 14 33.678 21.492 22.443
110 HB3 SER 14 HB3 SER 14 34.895 20.789 23.525
111 HG SER 14 HG SER 14 35.418 22.831 21.592
112 H LEU 15 H LEU 15 33.624 18.308 20.858
113 HA LEU 15 HA LEU 15 34.986 16.285 22.566
114 HB2 LEU 15 HB2 LEU 15 32.469 16.163 20.863
115 HB3 LEU 15 HB3 LEU 15 33.094 14.834 21.837
116 HG LEU 15 HG LEU 15 32.147 17.513 22.956
117 HD11 LEU 15 HD11 LEU 15 30.312 16.212 21.956
118 HD12 LEU 15 HD12 LEU 15 30.783 14.794 22.924
119 HD13 LEU 15 HD13 LEU 15 30.186 16.267 23.725
120 HD21 LEU 15 HD21 LEU 15 32.137 16.286 25.118
121 HD22 LEU 15 HD22 LEU 15 32.896 14.894 24.325
122 HD23 LEU 15 HD23 LEU 15 33.770 16.441 24.458
123 H GLY 16 H GLY 16 35.361 17.608 19.522
124 HA2 GLY 16 HA2 GLY 16 36.785 16.992 17.800
125 HA3 GLY 16 HA3 GLY 16 36.888 15.346 18.427
126 H LEU 17 H LEU 17 33.672 16.721 17.998
127 HA LEU 17 HA LEU 17 33.249 14.853 15.674
128 HB2 LEU 17 HB2 LEU 17 31.005 15.523 17.545
129 HB3 LEU 17 HB3 LEU 17 31.233 14.101 16.541
130 HG LEU 17 HG LEU 17 32.647 14.787 19.081
131 HD11 LEU 17 HD11 LEU 17 31.387 12.832 20.045
132 HD12 LEU 17 HD12 LEU 17 30.432 14.253 19.652
133 HD13 LEU 17 HD13 LEU 17 30.404 12.831 18.567
134 HD21 LEU 17 HD21 LEU 17 32.680 12.134 17.538
135 HD22 LEU 17 HD22 LEU 17 34.040 13.264 17.593
136 HD23 LEU 17 HD23 LEU 17 33.521 12.444 19.069
137 H LEU 18 H LEU 18 30.869 15.302 14.893
138 HA LEU 18 HA LEU 18 30.635 18.177 14.093
139 HB2 LEU 18 HB2 LEU 18 29.316 15.750 12.855
140 HB3 LEU 18 HB3 LEU 18 28.987 17.411 12.435
141 HG LEU 18 HG LEU 18 30.345 16.665 10.747
142 HD11 LEU 18 HD11 LEU 18 32.381 17.941 10.795
143 HD12 LEU 18 HD12 LEU 18 31.092 18.856 11.595
144 HD13 LEU 18 HD13 LEU 18 32.344 18.038 12.562
145 HD21 LEU 18 HD21 LEU 18 32.403 15.549 12.664
146 HD22 LEU 18 HD22 LEU 18 31.140 14.587 11.866
147 HD23 LEU 18 HD23 LEU 18 32.377 15.417 10.899
148 H GLY 19 H GLY 19 28.483 19.031 14.097
149 HA2 GLY 19 HA2 GLY 19 26.774 18.018 16.353
150 HA3 GLY 19 HA3 GLY 19 27.121 19.726 16.164
151 H GLU 20 H GLU 20 24.567 18.182 16.130
152 HA GLU 20 HA GLU 20 23.412 19.130 13.558
153 HB2 GLU 20 HB2 GLU 20 24.175 16.783 13.306
154 HB3 GLU 20 HB3 GLU 20 23.254 16.328 14.738
155 HG2 GLU 20 HG2 GLU 20 22.028 15.658 12.816
156 HG3 GLU 20 HG3 GLU 20 21.147 16.979 13.566
157 H CYS 21 H CYS 21 21.240 19.760 13.730
158 HA CYS 21 HA CYS 21 20.027 19.799 16.466
159 HB2 CYS 21 HB2 CYS 21 20.081 21.987 15.705
160 HB3 CYS 21 HB3 CYS 21 19.757 21.536 14.035
161 H ILE 22 H ILE 22 18.368 18.446 16.936
162 HA ILE 22 HA ILE 22 16.678 17.402 14.716
163 HB ILE 22 HB ILE 22 17.647 15.762 17.059
164 HG12 ILE 22 HG12 ILE 22 19.390 15.969 15.318
165 HG13 ILE 22 HG13 ILE 22 18.758 14.351 15.510
166 HG21 ILE 22 HG21 ILE 22 15.655 15.133 14.830
167 HG22 ILE 22 HG22 ILE 22 16.376 13.912 15.893
168 HG23 ILE 22 HG23 ILE 22 15.347 15.164 16.577
169 HD11 ILE 22 HD11 ILE 22 17.483 14.501 13.436
170 HD12 ILE 22 HD12 ILE 22 17.973 16.195 13.229
171 HD13 ILE 22 HD13 ILE 22 19.182 14.906 13.151
172 H GLY 23 H GLY 23 14.876 18.355 14.899
173 HA2 GLY 23 HA2 GLY 23 12.871 19.144 15.739
174 HA3 GLY 23 HA3 GLY 23 13.094 18.077 17.114
175 H GLU 24 H GLU 24 13.576 18.940 19.038
176 HA GLU 24 HA GLU 24 13.879 21.890 19.261
177 HB2 GLU 24 HB2 GLU 24 12.886 21.697 21.420
178 HB3 GLU 24 HB3 GLU 24 11.868 20.886 20.234
179 HG2 GLU 24 HG2 GLU 24 12.730 18.689 21.010
180 HG3 GLU 24 HG3 GLU 24 13.765 19.504 22.187
181 H GLU 25 H GLU 25 15.976 19.219 19.542
182 HA GLU 25 HA GLU 25 17.825 20.713 21.297
183 HB2 GLU 25 HB2 GLU 25 16.472 19.338 22.799
184 HB3 GLU 25 HB3 GLU 25 16.689 17.938 21.765
185 HG2 GLU 25 HG2 GLU 25 18.045 17.631 23.660
186 HG3 GLU 25 HG3 GLU 25 19.087 17.905 22.274
187 H CYS 26 H CYS 26 19.977 20.381 20.858
188 HA CYS 26 HA CYS 26 20.626 19.077 18.335
189 HB2 CYS 26 HB2 CYS 26 22.256 20.547 20.421
190 HB3 CYS 26 HB3 CYS 26 22.936 19.884 18.940
191 H LYS 27 H LYS 27 22.396 17.652 18.047
192 HA LYS 27 HA LYS 27 23.335 15.974 20.299
193 HB2 LYS 27 HB2 LYS 27 22.994 13.952 19.055
194 HB3 LYS 27 HB3 LYS 27 21.445 14.756 19.318
195 HG2 LYS 27 HG2 LYS 27 21.508 15.606 16.967
196 HG3 LYS 27 HG3 LYS 27 23.053 14.776 16.710
197 HD2 LYS 27 HD2 LYS 27 20.460 13.422 17.515
198 HD3 LYS 27 HD3 LYS 27 21.069 13.520 15.849
199 HE2 LYS 27 HE2 LYS 27 23.074 12.246 16.474
200 HE3 LYS 27 HE3 LYS 27 22.553 12.200 18.165
201 HZ1 LYS 27 HZ1 LYS 27 21.994 10.148 16.933
202 HZ2 LYS 27 HZ2 LYS 27 20.679 10.873 17.569
203 HZ3 LYS 27 HZ3 LYS 27 21.012 10.994 15.940
204 H CYS 28 H CYS 28 25.185 14.555 19.516
205 HA CYS 28 HA CYS 28 26.817 15.980 17.438
206 HB2 CYS 28 HB2 CYS 28 27.839 14.194 19.653
207 HB3 CYS 28 HB3 CYS 28 28.788 15.132 18.493
208 H VAL 29 H VAL 29 27.978 14.726 15.937
209 HA VAL 29 HA VAL 29 27.140 11.918 15.530
210 HB VAL 29 HB VAL 29 26.560 12.483 13.117
211 HG11 VAL 29 HG11 VAL 29 24.604 13.558 15.164
212 HG12 VAL 29 HG12 VAL 29 24.265 12.911 13.537
213 HG13 VAL 29 HG13 VAL 29 24.871 11.831 14.800
214 HG21 VAL 29 HG21 VAL 29 26.303 15.308 14.238
215 HG22 VAL 29 HG22 VAL 29 27.336 14.744 12.899
216 HG23 VAL 29 HG23 VAL 29 25.578 14.739 12.738
217 HA PRO 30 HA PRO 30 31.157 11.836 13.473
218 HB2 PRO 30 HB2 PRO 30 31.259 9.256 12.756
219 HB3 PRO 30 HB3 PRO 30 31.118 9.701 14.484
220 HG2 PRO 30 HG2 PRO 30 28.900 8.864 12.569
221 HG3 PRO 30 HG3 PRO 30 29.241 8.226 14.207
222 HD2 PRO 30 HD2 PRO 30 27.406 10.246 13.705
223 HD3 PRO 30 HD3 PRO 30 28.316 10.091 15.240
224 H TYR 31 H TYR 31 28.233 11.630 11.750
225 HA TYR 31 HA TYR 31 27.476 11.203 9.689
226 HB2 TYR 31 HB2 TYR 31 29.743 13.102 9.116
227 HB3 TYR 31 HB3 TYR 31 28.482 12.658 7.977
228 HD1 TYR 31 HD1 TYR 31 29.368 15.413 9.070
229 HD2 TYR 31 HD2 TYR 31 26.030 12.801 9.919
230 HE1 TYR 31 HE1 TYR 31 27.960 17.383 9.649
231 HE2 TYR 31 HE2 TYR 31 24.624 14.772 10.418
232 HH TYR 31 HH TYR 31 24.506 17.091 10.542
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 14.697 22.259 23.465
2 H2 ALA 1 H2 ALA 1 13.741 23.452 24.089
3 H3 ALA 1 H3 ALA 1 14.372 22.330 25.098
4 HA ALA 1 HA ALA 1 15.578 24.353 25.312
5 HB1 ALA 1 HB1 ALA 1 17.226 22.275 23.816
6 HB2 ALA 1 HB2 ALA 1 17.836 23.502 24.933
7 HB3 ALA 1 HB3 ALA 1 16.817 22.187 25.541
8 H PHE 2 H PHE 2 17.374 25.702 24.216
9 HA PHE 2 HA PHE 2 16.481 26.748 21.645
10 HB2 PHE 2 HB2 PHE 2 19.050 27.363 23.119
11 HB3 PHE 2 HB3 PHE 2 18.253 28.325 21.893
12 HD1 PHE 2 HD1 PHE 2 19.182 28.970 24.862
13 HD2 PHE 2 HD2 PHE 2 15.366 28.135 23.017
14 HE1 PHE 2 HE1 PHE 2 18.030 30.217 26.673
15 HE2 PHE 2 HE2 PHE 2 14.220 29.350 24.820
16 HZ PHE 2 HZ PHE 2 15.545 30.401 26.662
17 H CYS 3 H CYS 3 16.793 25.516 19.887
18 HA CYS 3 HA CYS 3 19.033 23.601 19.709
19 HB2 CYS 3 HB2 CYS 3 16.583 23.109 19.409
20 HB3 CYS 3 HB3 CYS 3 16.644 23.954 17.881
21 H ASN 4 H ASN 4 20.466 25.620 19.559
22 HA ASN 4 HA ASN 4 20.568 27.012 16.970
23 HB2 ASN 4 HB2 ASN 4 22.290 27.137 19.488
24 HB3 ASN 4 HB3 ASN 4 22.478 28.200 18.089
25 HD21 ASN 4 HD21 ASN 4 19.508 30.051 18.775
26 HD22 ASN 4 HD22 ASN 4 20.689 29.628 17.532
27 H LEU 5 H LEU 5 21.189 25.528 15.344
28 HA LEU 5 HA LEU 5 23.069 23.501 15.583
29 HB2 LEU 5 HB2 LEU 5 21.517 23.744 13.702
30 HB3 LEU 5 HB3 LEU 5 22.350 25.210 13.169
31 HG LEU 5 HG LEU 5 24.379 23.915 12.668
32 HD11 LEU 5 HD11 LEU 5 24.147 22.025 14.252
33 HD12 LEU 5 HD12 LEU 5 22.694 21.474 13.377
34 HD13 LEU 5 HD13 LEU 5 24.290 21.442 12.595
35 HD21 LEU 5 HD21 LEU 5 22.681 24.282 10.923
36 HD22 LEU 5 HD22 LEU 5 23.500 22.732 10.699
37 HD23 LEU 5 HD23 LEU 5 21.861 22.775 11.385
38 H ARG 6 H ARG 6 23.788 26.929 14.683
39 HA ARG 6 HA ARG 6 26.573 26.458 14.168
40 HB2 ARG 6 HB2 ARG 6 25.079 28.997 14.921
41 HB3 ARG 6 HB3 ARG 6 26.782 28.952 14.422
42 HG2 ARG 6 HG2 ARG 6 26.115 27.864 12.286
43 HG3 ARG 6 HG3 ARG 6 24.424 27.998 12.732
44 HD2 ARG 6 HD2 ARG 6 26.346 30.304 12.233
45 HD3 ARG 6 HD3 ARG 6 25.095 29.732 11.149
46 HE ARG 6 HE ARG 6 23.372 30.574 12.581
47 HH11 ARG 6 HH11 ARG 6 26.575 31.807 13.581
48 HH12 ARG 6 HH12 ARG 6 25.757 33.125 14.431
49 HH21 ARG 6 HH21 ARG 6 22.608 32.247 13.738
50 HH22 ARG 6 HH22 ARG 6 23.737 33.331 14.545
51 H ARG 7 H ARG 7 24.967 27.067 17.235
52 HA ARG 7 HA ARG 7 27.486 27.296 18.788
53 HB2 ARG 7 HB2 ARG 7 24.581 26.984 19.666
54 HB3 ARG 7 HB3 ARG 7 25.932 27.248 20.749
55 HG2 ARG 7 HG2 ARG 7 25.014 29.202 18.613
56 HG3 ARG 7 HG3 ARG 7 24.603 29.300 20.317
57 HD2 ARG 7 HD2 ARG 7 27.416 29.498 19.168
58 HD3 ARG 7 HD3 ARG 7 26.410 30.849 19.696
59 HE ARG 7 HE ARG 7 26.557 29.129 21.915
60 HH11 ARG 7 HH11 ARG 7 28.882 31.115 20.145
61 HH12 ARG 7 HH12 ARG 7 29.820 31.379 21.594
62 HH21 ARG 7 HH21 ARG 7 27.811 29.398 23.575
63 HH22 ARG 7 HH22 ARG 7 29.379 30.187 23.429
64 H CYS 8 H CYS 8 25.030 24.820 18.112
65 HA CYS 8 HA CYS 8 26.165 22.849 19.878
66 HB2 CYS 8 HB2 CYS 8 24.300 22.630 17.488
67 HB3 CYS 8 HB3 CYS 8 24.678 21.312 18.617
68 H GLU 9 H GLU 9 26.721 23.599 16.419
69 HA GLU 9 HA GLU 9 28.511 21.514 15.746
70 HB2 GLU 9 HB2 GLU 9 28.216 24.405 14.899
71 HB3 GLU 9 HB3 GLU 9 29.529 23.432 14.265
72 HG2 GLU 9 HG2 GLU 9 26.786 22.208 14.104
73 HG3 GLU 9 HG3 GLU 9 27.111 23.609 13.079
74 H LEU 10 H LEU 10 29.451 24.774 17.099
75 HA LEU 10 HA LEU 10 32.189 23.960 17.382
76 HB2 LEU 10 HB2 LEU 10 32.595 26.044 18.397
77 HB3 LEU 10 HB3 LEU 10 31.464 26.269 17.092
78 HG LEU 10 HG LEU 10 29.662 26.165 19.039
79 HD11 LEU 10 HD11 LEU 10 32.117 27.243 20.497
80 HD12 LEU 10 HD12 LEU 10 30.449 27.265 21.102
81 HD13 LEU 10 HD13 LEU 10 31.293 25.733 20.907
82 HD21 LEU 10 HD21 LEU 10 29.967 28.076 17.576
83 HD22 LEU 10 HD22 LEU 10 29.811 28.626 19.249
84 HD23 LEU 10 HD23 LEU 10 31.412 28.573 18.484
85 H SER 11 H SER 11 29.445 23.667 19.549
86 HA SER 11 HA SER 11 30.900 22.887 21.901
87 HB2 SER 11 HB2 SER 11 28.547 23.566 21.925
88 HB3 SER 11 HB3 SER 11 28.099 22.120 21.006
89 HG SER 11 HG SER 11 27.784 21.907 23.237
90 H CYS 12 H CYS 12 29.418 20.837 19.282
91 HA CYS 12 HA CYS 12 30.523 18.382 20.339
92 HB2 CYS 12 HB2 CYS 12 29.567 19.081 17.538
93 HB3 CYS 12 HB3 CYS 12 30.018 17.471 18.103
94 H ARG 13 H ARG 13 31.739 20.792 17.998
95 HA ARG 13 HA ARG 13 34.143 19.562 17.153
96 HB2 ARG 13 HB2 ARG 13 33.049 21.792 16.484
97 HB3 ARG 13 HB3 ARG 13 33.904 22.472 17.880
98 HG2 ARG 13 HG2 ARG 13 36.024 21.487 16.840
99 HG3 ARG 13 HG3 ARG 13 35.057 21.183 15.380
100 HD2 ARG 13 HD2 ARG 13 35.547 23.824 16.777
101 HD3 ARG 13 HD3 ARG 13 36.268 23.321 15.238
102 HE ARG 13 HE ARG 13 33.707 23.231 14.501
103 HH11 ARG 13 HH11 ARG 13 35.293 25.820 16.282
104 HH12 ARG 13 HH12 ARG 13 34.154 26.991 15.671
105 HH21 ARG 13 HH21 ARG 13 32.284 24.678 13.960
106 HH22 ARG 13 HH22 ARG 13 32.282 26.304 14.635
107 H SER 14 H SER 14 33.365 21.018 20.327
108 HA SER 14 HA SER 14 36.105 20.955 21.213
109 HB2 SER 14 HB2 SER 14 35.354 21.524 23.378
110 HB3 SER 14 HB3 SER 14 34.218 22.335 22.278
111 HG SER 14 HG SER 14 32.732 20.664 22.670
112 H LEU 15 H LEU 15 33.599 18.513 21.220
113 HA LEU 15 HA LEU 15 35.200 16.527 22.685
114 HB2 LEU 15 HB2 LEU 15 32.611 16.265 21.120
115 HB3 LEU 15 HB3 LEU 15 33.299 15.045 22.187
116 HG LEU 15 HG LEU 15 32.241 17.776 23.050
117 HD11 LEU 15 HD11 LEU 15 31.068 14.982 23.352
118 HD12 LEU 15 HD12 LEU 15 30.397 16.479 24.038
119 HD13 LEU 15 HD13 LEU 15 30.465 16.271 22.284
120 HD21 LEU 15 HD21 LEU 15 33.139 15.401 24.734
121 HD22 LEU 15 HD22 LEU 15 34.003 16.953 24.594
122 HD23 LEU 15 HD23 LEU 15 32.402 16.891 25.343
123 H GLY 16 H GLY 16 35.418 17.823 19.623
124 HA2 GLY 16 HA2 GLY 16 36.808 17.199 17.878
125 HA3 GLY 16 HA3 GLY 16 36.920 15.551 18.503
126 H LEU 17 H LEU 17 33.705 16.897 18.127
127 HA LEU 17 HA LEU 17 33.259 14.943 15.882
128 HB2 LEU 17 HB2 LEU 17 31.053 15.771 17.733
129 HB3 LEU 17 HB3 LEU 17 31.193 14.316 16.779
130 HG LEU 17 HG LEU 17 32.651 15.046 19.263
131 HD11 LEU 17 HD11 LEU 17 31.405 13.131 20.298
132 HD12 LEU 17 HD12 LEU 17 30.427 14.517 19.833
133 HD13 LEU 17 HD13 LEU 17 30.432 13.048 18.812
134 HD21 LEU 17 HD21 LEU 17 32.692 12.441 17.665
135 HD22 LEU 17 HD22 LEU 17 34.081 13.515 17.880
136 HD23 LEU 17 HD23 LEU 17 33.454 12.630 19.275
137 H LEU 18 H LEU 18 31.086 15.264 14.951
138 HA LEU 18 HA LEU 18 30.656 18.017 13.859
139 HB2 LEU 18 HB2 LEU 18 29.808 15.253 12.964
140 HB3 LEU 18 HB3 LEU 18 28.958 16.672 12.399
141 HG LEU 18 HG LEU 18 30.551 15.830 10.812
142 HD11 LEU 18 HD11 LEU 18 29.933 18.117 10.630
143 HD12 LEU 18 HD12 LEU 18 31.170 18.624 11.786
144 HD13 LEU 18 HD13 LEU 18 31.637 17.962 10.204
145 HD21 LEU 18 HD21 LEU 18 32.368 15.121 12.422
146 HD22 LEU 18 HD22 LEU 18 32.940 16.032 11.017
147 HD23 LEU 18 HD23 LEU 18 32.800 16.831 12.599
148 H GLY 19 H GLY 19 28.454 18.789 13.719
149 HA2 GLY 19 HA2 GLY 19 26.754 17.947 16.060
150 HA3 GLY 19 HA3 GLY 19 27.076 19.622 15.680
151 H GLU 20 H GLU 20 24.547 18.160 15.981
152 HA GLU 20 HA GLU 20 23.194 19.092 13.535
153 HB2 GLU 20 HB2 GLU 20 23.759 16.694 13.249
154 HB3 GLU 20 HB3 GLU 20 23.009 16.331 14.793
155 HG2 GLU 20 HG2 GLU 20 21.547 15.602 13.101
156 HG3 GLU 20 HG3 GLU 20 20.801 17.014 13.838
157 H CYS 21 H CYS 21 20.999 19.633 13.841
158 HA CYS 21 HA CYS 21 20.005 19.784 16.677
159 HB2 CYS 21 HB2 CYS 21 20.447 22.029 16.167
160 HB3 CYS 21 HB3 CYS 21 19.981 21.835 14.476
161 H ILE 22 H ILE 22 18.185 18.659 17.027
162 HA ILE 22 HA ILE 22 16.285 18.206 14.756
163 HB ILE 22 HB ILE 22 17.127 16.138 16.810
164 HG12 ILE 22 HG12 ILE 22 18.859 16.393 15.072
165 HG13 ILE 22 HG13 ILE 22 18.070 14.829 15.056
166 HG21 ILE 22 HG21 ILE 22 14.784 15.826 16.304
167 HG22 ILE 22 HG22 ILE 22 15.056 16.024 14.562
168 HG23 ILE 22 HG23 ILE 22 15.680 14.604 15.426
169 HD11 ILE 22 HD11 ILE 22 16.803 15.385 13.051
170 HD12 ILE 22 HD12 ILE 22 17.412 17.051 13.075
171 HD13 ILE 22 HD13 ILE 22 18.522 15.703 12.779
172 H GLY 23 H GLY 23 14.322 18.915 15.151
173 HA2 GLY 23 HA2 GLY 23 12.408 19.588 16.213
174 HA3 GLY 23 HA3 GLY 23 12.819 18.477 17.518
175 H GLU 24 H GLU 24 13.883 19.251 19.330
176 HA GLU 24 HA GLU 24 14.306 22.168 19.678
177 HB2 GLU 24 HB2 GLU 24 13.058 22.206 21.757
178 HB3 GLU 24 HB3 GLU 24 12.028 21.729 20.417
179 HG2 GLU 24 HG2 GLU 24 12.288 19.316 21.124
180 HG3 GLU 24 HG3 GLU 24 13.229 19.866 22.508
181 H GLU 25 H GLU 25 16.001 19.526 19.559
182 HA GLU 25 HA GLU 25 17.782 20.299 21.793
183 HB2 GLU 25 HB2 GLU 25 16.898 17.422 21.306
184 HB3 GLU 25 HB3 GLU 25 18.181 17.965 22.397
185 HG2 GLU 25 HG2 GLU 25 16.445 19.306 23.659
186 HG3 GLU 25 HG3 GLU 25 15.205 18.520 22.666
187 H CYS 26 H CYS 26 19.943 19.896 21.440
188 HA CYS 26 HA CYS 26 20.724 19.239 18.650
189 HB2 CYS 26 HB2 CYS 26 22.192 20.451 20.999
190 HB3 CYS 26 HB3 CYS 26 22.995 19.937 19.519
191 H LYS 27 H LYS 27 22.401 17.801 18.183
192 HA LYS 27 HA LYS 27 23.418 15.933 20.254
193 HB2 LYS 27 HB2 LYS 27 22.923 13.959 18.885
194 HB3 LYS 27 HB3 LYS 27 21.454 14.766 19.439
195 HG2 LYS 27 HG2 LYS 27 21.148 15.827 17.233
196 HG3 LYS 27 HG3 LYS 27 22.660 15.124 16.650
197 HD2 LYS 27 HD2 LYS 27 20.305 13.472 17.608
198 HD3 LYS 27 HD3 LYS 27 20.546 13.971 15.925
199 HE2 LYS 27 HE2 LYS 27 22.736 12.833 15.863
200 HE3 LYS 27 HE3 LYS 27 22.542 12.323 17.546
201 HZ1 LYS 27 HZ1 LYS 27 20.670 11.022 16.933
202 HZ2 LYS 27 HZ2 LYS 27 20.664 11.555 15.379
203 HZ3 LYS 27 HZ3 LYS 27 21.903 10.600 15.925
204 H CYS 28 H CYS 28 25.368 14.833 19.659
205 HA CYS 28 HA CYS 28 26.822 16.035 17.356
206 HB2 CYS 28 HB2 CYS 28 27.858 14.134 19.463
207 HB3 CYS 28 HB3 CYS 28 28.806 15.053 18.289
208 H VAL 29 H VAL 29 27.774 14.679 15.726
209 HA VAL 29 HA VAL 29 26.258 12.155 15.258
210 HB VAL 29 HB VAL 29 26.022 13.012 12.826
211 HG11 VAL 29 HG11 VAL 29 23.864 14.016 13.297
212 HG12 VAL 29 HG12 VAL 29 24.140 12.572 14.285
213 HG13 VAL 29 HG13 VAL 29 24.301 14.195 15.016
214 HG21 VAL 29 HG21 VAL 29 27.389 15.054 13.063
215 HG22 VAL 29 HG22 VAL 29 25.737 15.409 12.540
216 HG23 VAL 29 HG23 VAL 29 26.204 15.715 14.215
217 HA PRO 30 HA PRO 30 30.023 10.564 13.588
218 HB2 PRO 30 HB2 PRO 30 29.125 8.342 12.319
219 HB3 PRO 30 HB3 PRO 30 29.011 8.530 14.102
220 HG2 PRO 30 HG2 PRO 30 26.880 9.054 11.991
221 HG3 PRO 30 HG3 PRO 30 26.731 8.083 13.491
222 HD2 PRO 30 HD2 PRO 30 25.934 10.677 13.375
223 HD3 PRO 30 HD3 PRO 30 26.680 9.999 14.847
224 H TYR 31 H TYR 31 28.042 12.215 11.662
225 HA TYR 31 HA TYR 31 28.080 11.500 9.030
226 HB2 TYR 31 HB2 TYR 31 28.471 14.276 10.190
227 HB3 TYR 31 HB3 TYR 31 28.080 13.959 8.513
228 HD1 TYR 31 HD1 TYR 31 26.086 11.554 10.141
229 HD2 TYR 31 HD2 TYR 31 26.440 15.821 9.598
230 HE1 TYR 31 HE1 TYR 31 23.666 11.817 10.585
231 HE2 TYR 31 HE2 TYR 31 24.011 16.073 10.058
232 HH TYR 31 HH TYR 31 22.061 15.030 10.630
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 10.199 25.792 16.782
2 H2 ALA 1 H2 ALA 1 9.831 26.400 15.287
3 H3 ALA 1 H3 ALA 1 9.087 26.995 16.647
4 HA ALA 1 HA ALA 1 10.769 28.501 15.802
5 HB1 ALA 1 HB1 ALA 1 10.248 28.599 18.182
6 HB2 ALA 1 HB2 ALA 1 11.353 27.250 18.521
7 HB3 ALA 1 HB3 ALA 1 11.986 28.805 17.950
8 H PHE 2 H PHE 2 12.956 28.908 15.317
9 HA PHE 2 HA PHE 2 14.278 26.549 14.204
10 HB2 PHE 2 HB2 PHE 2 14.826 29.521 13.904
11 HB3 PHE 2 HB3 PHE 2 15.650 28.225 13.015
12 HD1 PHE 2 HD1 PHE 2 14.285 26.665 11.540
13 HD2 PHE 2 HD2 PHE 2 12.653 30.307 13.169
14 HE1 PHE 2 HE1 PHE 2 12.391 26.542 9.958
15 HE2 PHE 2 HE2 PHE 2 10.761 30.156 11.589
16 HZ PHE 2 HZ PHE 2 10.606 28.274 9.979
17 H CYS 3 H CYS 3 15.581 25.410 15.351
18 HA CYS 3 HA CYS 3 17.434 26.417 17.385
19 HB2 CYS 3 HB2 CYS 3 16.335 24.294 17.710
20 HB3 CYS 3 HB3 CYS 3 16.855 23.715 16.138
21 H ASN 4 H ASN 4 19.301 27.294 16.890
22 HA ASN 4 HA ASN 4 20.590 27.181 14.312
23 HB2 ASN 4 HB2 ASN 4 20.678 29.096 15.961
24 HB3 ASN 4 HB3 ASN 4 21.732 28.129 16.975
25 HD21 ASN 4 HD21 ASN 4 23.570 30.415 14.515
26 HD22 ASN 4 HD22 ASN 4 21.930 30.718 15.085
27 H LEU 5 H LEU 5 21.835 25.647 13.520
28 HA LEU 5 HA LEU 5 22.973 23.455 15.092
29 HB2 LEU 5 HB2 LEU 5 21.899 23.086 12.970
30 HB3 LEU 5 HB3 LEU 5 22.931 24.237 12.135
31 HG LEU 5 HG LEU 5 24.155 21.835 13.480
32 HD11 LEU 5 HD11 LEU 5 22.283 20.966 12.103
33 HD12 LEU 5 HD12 LEU 5 22.889 21.869 10.705
34 HD13 LEU 5 HD13 LEU 5 23.850 20.543 11.388
35 HD21 LEU 5 HD21 LEU 5 25.688 23.540 12.433
36 HD22 LEU 5 HD22 LEU 5 25.759 21.992 11.596
37 HD23 LEU 5 HD23 LEU 5 24.836 23.336 10.899
38 H ARG 6 H ARG 6 24.204 26.377 13.402
39 HA ARG 6 HA ARG 6 26.990 25.631 13.564
40 HB2 ARG 6 HB2 ARG 6 25.729 28.364 13.096
41 HB3 ARG 6 HB3 ARG 6 27.439 27.957 12.925
42 HG2 ARG 6 HG2 ARG 6 26.779 26.241 11.168
43 HG3 ARG 6 HG3 ARG 6 25.144 26.924 11.241
44 HD2 ARG 6 HD2 ARG 6 26.173 29.190 10.729
45 HD3 ARG 6 HD3 ARG 6 27.711 28.370 10.454
46 HE ARG 6 HE ARG 6 25.400 27.352 8.914
47 HH11 ARG 6 HH11 ARG 6 28.509 28.898 8.590
48 HH12 ARG 6 HH12 ARG 6 28.230 29.295 6.920
49 HH21 ARG 6 HH21 ARG 6 25.051 28.012 6.820
50 HH22 ARG 6 HH22 ARG 6 26.340 28.829 5.957
51 H ARG 7 H ARG 7 24.892 27.385 15.846
52 HA ARG 7 HA ARG 7 27.090 28.048 17.688
53 HB2 ARG 7 HB2 ARG 7 24.088 27.663 18.051
54 HB3 ARG 7 HB3 ARG 7 25.162 28.095 19.377
55 HG2 ARG 7 HG2 ARG 7 24.875 29.812 16.880
56 HG3 ARG 7 HG3 ARG 7 23.869 29.975 18.324
57 HD2 ARG 7 HD2 ARG 7 26.000 30.279 19.678
58 HD3 ARG 7 HD3 ARG 7 26.872 30.412 18.137
59 HE ARG 7 HE ARG 7 24.644 32.201 18.081
60 HH11 ARG 7 HH11 ARG 7 27.647 31.976 19.926
61 HH12 ARG 7 HH12 ARG 7 27.749 33.710 20.086
62 HH21 ARG 7 HH21 ARG 7 24.808 34.379 18.466
63 HH22 ARG 7 HH22 ARG 7 26.214 35.012 19.279
64 H CYS 8 H CYS 8 24.807 25.303 17.476
65 HA CYS 8 HA CYS 8 25.832 23.942 19.785
66 HB2 CYS 8 HB2 CYS 8 23.997 23.255 17.489
67 HB3 CYS 8 HB3 CYS 8 24.545 21.990 18.582
68 H GLU 9 H GLU 9 26.817 23.713 16.370
69 HA GLU 9 HA GLU 9 28.465 21.460 16.336
70 HB2 GLU 9 HB2 GLU 9 28.675 24.244 15.180
71 HB3 GLU 9 HB3 GLU 9 29.994 23.106 14.933
72 HG2 GLU 9 HG2 GLU 9 28.473 21.492 13.885
73 HG3 GLU 9 HG3 GLU 9 27.120 22.596 14.097
74 H LEU 10 H LEU 10 29.191 24.614 17.863
75 HA LEU 10 HA LEU 10 31.955 24.117 18.386
76 HB2 LEU 10 HB2 LEU 10 30.037 25.863 19.969
77 HB3 LEU 10 HB3 LEU 10 31.785 26.014 19.893
78 HG LEU 10 HG LEU 10 29.919 26.429 17.519
79 HD11 LEU 10 HD11 LEU 10 29.537 28.124 19.241
80 HD12 LEU 10 HD12 LEU 10 31.277 28.485 19.296
81 HD13 LEU 10 HD13 LEU 10 30.342 28.824 17.826
82 HD21 LEU 10 HD21 LEU 10 31.893 27.510 16.485
83 HD22 LEU 10 HD22 LEU 10 32.876 27.082 17.900
84 HD23 LEU 10 HD23 LEU 10 32.219 25.812 16.841
85 H SER 11 H SER 11 29.025 23.323 20.230
86 HA SER 11 HA SER 11 30.340 22.363 22.611
87 HB2 SER 11 HB2 SER 11 27.908 22.905 22.401
88 HB3 SER 11 HB3 SER 11 27.689 21.409 21.472
89 HG SER 11 HG SER 11 28.017 20.234 23.275
90 H CYS 12 H CYS 12 29.600 20.832 19.512
91 HA CYS 12 HA CYS 12 30.411 18.148 20.340
92 HB2 CYS 12 HB2 CYS 12 29.813 19.256 17.563
93 HB3 CYS 12 HB3 CYS 12 29.914 17.563 18.044
94 H ARG 13 H ARG 13 31.858 20.821 18.481
95 HA ARG 13 HA ARG 13 34.117 19.446 17.448
96 HB2 ARG 13 HB2 ARG 13 33.299 21.692 16.748
97 HB3 ARG 13 HB3 ARG 13 33.835 22.371 18.274
98 HG2 ARG 13 HG2 ARG 13 35.356 22.844 16.374
99 HG3 ARG 13 HG3 ARG 13 36.151 22.016 17.710
100 HD2 ARG 13 HD2 ARG 13 36.917 21.179 15.552
101 HD3 ARG 13 HD3 ARG 13 36.148 19.915 16.509
102 HE ARG 13 HE ARG 13 34.451 21.304 14.495
103 HH11 ARG 13 HH11 ARG 13 36.563 18.531 14.980
104 HH12 ARG 13 HH12 ARG 13 35.675 17.586 13.788
105 HH21 ARG 13 HH21 ARG 13 33.615 20.032 12.775
106 HH22 ARG 13 HH22 ARG 13 34.221 18.386 12.631
107 H SER 14 H SER 14 33.474 20.582 20.694
108 HA SER 14 HA SER 14 36.166 20.316 21.666
109 HB2 SER 14 HB2 SER 14 35.276 20.583 23.831
110 HB3 SER 14 HB3 SER 14 34.263 21.573 22.786
111 HG SER 14 HG SER 14 32.621 20.052 22.950
112 H LEU 15 H LEU 15 33.921 17.863 20.820
113 HA LEU 15 HA LEU 15 35.646 15.774 22.100
114 HB2 LEU 15 HB2 LEU 15 32.849 15.596 20.939
115 HB3 LEU 15 HB3 LEU 15 33.746 14.252 21.641
116 HG LEU 15 HG LEU 15 32.832 16.750 23.152
117 HD11 LEU 15 HD11 LEU 15 31.718 13.918 23.108
118 HD12 LEU 15 HD12 LEU 15 31.155 15.260 24.135
119 HD13 LEU 15 HD13 LEU 15 30.970 15.352 22.375
120 HD21 LEU 15 HD21 LEU 15 34.044 14.131 24.154
121 HD22 LEU 15 HD22 LEU 15 34.806 15.737 24.220
122 HD23 LEU 15 HD23 LEU 15 33.357 15.416 25.177
123 H GLY 16 H GLY 16 35.724 17.527 19.436
124 HA2 GLY 16 HA2 GLY 16 36.824 17.252 17.433
125 HA3 GLY 16 HA3 GLY 16 37.000 15.527 17.752
126 H LEU 17 H LEU 17 33.745 16.871 17.923
127 HA LEU 17 HA LEU 17 33.120 15.327 15.435
128 HB2 LEU 17 HB2 LEU 17 30.964 15.883 17.406
129 HB3 LEU 17 HB3 LEU 17 31.168 14.526 16.324
130 HG LEU 17 HG LEU 17 32.637 15.084 18.832
131 HD11 LEU 17 HD11 LEU 17 30.386 13.141 18.332
132 HD12 LEU 17 HD12 LEU 17 31.411 13.128 19.787
133 HD13 LEU 17 HD13 LEU 17 30.432 14.545 19.440
134 HD21 LEU 17 HD21 LEU 17 33.983 13.620 17.255
135 HD22 LEU 17 HD22 LEU 17 33.493 12.727 18.692
136 HD23 LEU 17 HD23 LEU 17 32.609 12.506 17.165
137 H LEU 18 H LEU 18 31.112 15.724 14.510
138 HA LEU 18 HA LEU 18 30.548 18.564 13.775
139 HB2 LEU 18 HB2 LEU 18 29.783 15.862 12.657
140 HB3 LEU 18 HB3 LEU 18 28.710 17.226 12.394
141 HG LEU 18 HG LEU 18 30.666 18.509 11.415
142 HD11 LEU 18 HD11 LEU 18 32.548 17.182 10.532
143 HD12 LEU 18 HD12 LEU 18 32.511 17.115 12.301
144 HD13 LEU 18 HD13 LEU 18 31.929 15.735 11.356
145 HD21 LEU 18 HD21 LEU 18 28.916 17.503 10.025
146 HD22 LEU 18 HD22 LEU 18 30.492 17.335 9.236
147 HD23 LEU 18 HD23 LEU 18 29.760 15.939 10.055
148 H GLY 19 H GLY 19 28.450 19.442 13.963
149 HA2 GLY 19 HA2 GLY 19 26.672 18.209 16.035
150 HA3 GLY 19 HA3 GLY 19 26.823 19.931 15.785
151 H GLU 20 H GLU 20 24.497 18.398 15.838
152 HA GLU 20 HA GLU 20 23.154 19.284 13.369
153 HB2 GLU 20 HB2 GLU 20 23.811 16.869 13.141
154 HB3 GLU 20 HB3 GLU 20 22.977 16.525 14.649
155 HG2 GLU 20 HG2 GLU 20 21.602 15.807 12.880
156 HG3 GLU 20 HG3 GLU 20 20.822 17.200 13.611
157 H CYS 21 H CYS 21 20.753 19.614 13.823
158 HA CYS 21 HA CYS 21 19.989 19.292 16.673
159 HB2 CYS 21 HB2 CYS 21 20.537 21.674 16.257
160 HB3 CYS 21 HB3 CYS 21 19.239 21.741 15.051
161 H ILE 22 H ILE 22 18.227 18.150 16.976
162 HA ILE 22 HA ILE 22 16.388 17.573 14.684
163 HB ILE 22 HB ILE 22 17.332 15.634 16.837
164 HG12 ILE 22 HG12 ILE 22 19.203 15.979 15.331
165 HG13 ILE 22 HG13 ILE 22 18.506 14.378 15.149
166 HG21 ILE 22 HG21 ILE 22 16.165 13.933 15.418
167 HG22 ILE 22 HG22 ILE 22 15.074 15.103 16.121
168 HG23 ILE 22 HG23 ILE 22 15.512 15.233 14.403
169 HD11 ILE 22 HD11 ILE 22 18.130 16.696 13.211
170 HD12 ILE 22 HD12 ILE 22 19.155 15.271 12.979
171 HD13 ILE 22 HD13 ILE 22 17.404 15.081 13.038
172 H GLY 23 H GLY 23 14.312 18.047 15.138
173 HA2 GLY 23 HA2 GLY 23 12.450 18.769 16.296
174 HA3 GLY 23 HA3 GLY 23 12.844 17.456 17.409
175 H GLU 24 H GLU 24 14.393 20.570 16.701
176 HA GLU 24 HA GLU 24 15.314 22.181 17.906
177 HB2 GLU 24 HB2 GLU 24 12.924 21.928 19.743
178 HB3 GLU 24 HB3 GLU 24 13.989 23.326 19.508
179 HG2 GLU 24 HG2 GLU 24 13.287 23.354 17.076
180 HG3 GLU 24 HG3 GLU 24 12.090 22.115 17.458
181 H GLU 25 H GLU 25 16.178 19.416 18.799
182 HA GLU 25 HA GLU 25 17.689 20.407 21.197
183 HB2 GLU 25 HB2 GLU 25 16.685 17.593 20.660
184 HB3 GLU 25 HB3 GLU 25 17.933 18.001 21.848
185 HG2 GLU 25 HG2 GLU 25 16.344 19.490 23.025
186 HG3 GLU 25 HG3 GLU 25 15.072 19.026 21.879
187 H CYS 26 H CYS 26 19.886 20.161 21.168
188 HA CYS 26 HA CYS 26 21.034 19.583 18.531
189 HB2 CYS 26 HB2 CYS 26 22.191 20.760 21.061
190 HB3 CYS 26 HB3 CYS 26 23.111 20.458 19.586
191 H LYS 27 H LYS 27 22.394 18.014 17.961
192 HA LYS 27 HA LYS 27 23.114 15.810 19.860
193 HB2 LYS 27 HB2 LYS 27 22.082 15.384 17.035
194 HB3 LYS 27 HB3 LYS 27 22.328 14.170 18.277
195 HG2 LYS 27 HG2 LYS 27 20.138 16.301 18.260
196 HG3 LYS 27 HG3 LYS 27 19.946 14.634 17.749
197 HD2 LYS 27 HD2 LYS 27 20.263 13.785 19.969
198 HD3 LYS 27 HD3 LYS 27 20.783 15.364 20.569
199 HE2 LYS 27 HE2 LYS 27 18.500 16.279 19.960
200 HE3 LYS 27 HE3 LYS 27 17.999 14.634 19.542
201 HZ1 LYS 27 HZ1 LYS 27 18.412 13.974 21.841
202 HZ2 LYS 27 HZ2 LYS 27 18.959 15.471 22.228
203 HZ3 LYS 27 HZ3 LYS 27 17.378 15.254 21.860
204 H CYS 28 H CYS 28 25.265 15.154 19.596
205 HA CYS 28 HA CYS 28 26.785 16.232 17.269
206 HB2 CYS 28 HB2 CYS 28 27.803 14.689 19.671
207 HB3 CYS 28 HB3 CYS 28 28.751 15.578 18.481
208 H VAL 29 H VAL 29 27.604 15.007 15.635
209 HA VAL 29 HA VAL 29 26.725 12.160 15.564
210 HB VAL 29 HB VAL 29 26.840 12.282 13.130
211 HG11 VAL 29 HG11 VAL 29 24.960 14.306 14.388
212 HG12 VAL 29 HG12 VAL 29 24.743 13.455 12.841
213 HG13 VAL 29 HG13 VAL 29 24.737 12.537 14.353
214 HG21 VAL 29 HG21 VAL 29 28.341 14.147 12.727
215 HG22 VAL 29 HG22 VAL 29 26.773 14.462 11.981
216 HG23 VAL 29 HG23 VAL 29 27.198 15.283 13.495
217 HA PRO 30 HA PRO 30 30.906 10.970 15.776
218 HB2 PRO 30 HB2 PRO 30 30.791 8.360 15.062
219 HB3 PRO 30 HB3 PRO 30 29.983 8.979 16.537
220 HG2 PRO 30 HG2 PRO 30 28.763 8.454 13.807
221 HG3 PRO 30 HG3 PRO 30 28.157 7.922 15.405
222 HD2 PRO 30 HD2 PRO 30 27.218 10.167 14.186
223 HD3 PRO 30 HD3 PRO 30 27.407 10.070 15.956
224 H TYR 31 H TYR 31 29.510 11.361 12.763
225 HA TYR 31 HA TYR 31 31.173 9.898 11.020
226 HB2 TYR 31 HB2 TYR 31 29.689 12.423 10.340
227 HB3 TYR 31 HB3 TYR 31 30.080 11.077 9.271
228 HD1 TYR 31 HD1 TYR 31 29.190 8.787 11.203
229 HD2 TYR 31 HD2 TYR 31 27.344 12.501 10.021
230 HE1 TYR 31 HE1 TYR 31 26.958 7.874 11.825
231 HE2 TYR 31 HE2 TYR 31 25.114 11.563 10.628
232 HH TYR 31 HH TYR 31 24.721 8.594 12.418
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 11.056 26.243 17.569
2 H2 ALA 1 H2 ALA 1 10.650 27.402 16.470
3 H3 ALA 1 H3 ALA 1 10.167 27.557 18.029
4 HA ALA 1 HA ALA 1 11.975 29.031 17.543
5 HB1 ALA 1 HB1 ALA 1 12.750 26.779 19.439
6 HB2 ALA 1 HB2 ALA 1 13.419 28.428 19.431
7 HB3 ALA 1 HB3 ALA 1 11.709 28.164 19.837
8 H PHE 2 H PHE 2 13.815 29.421 16.447
9 HA PHE 2 HA PHE 2 14.799 27.395 14.590
10 HB2 PHE 2 HB2 PHE 2 15.653 30.272 15.057
11 HB3 PHE 2 HB3 PHE 2 16.076 29.275 13.663
12 HD1 PHE 2 HD1 PHE 2 13.869 31.782 14.775
13 HD2 PHE 2 HD2 PHE 2 13.957 28.179 12.405
14 HE1 PHE 2 HE1 PHE 2 11.819 32.503 13.589
15 HE2 PHE 2 HE2 PHE 2 11.898 28.905 11.239
16 HZ PHE 2 HZ PHE 2 10.808 31.053 11.833
17 H CYS 3 H CYS 3 15.772 25.853 15.871
18 HA CYS 3 HA CYS 3 17.399 26.068 18.021
19 HB2 CYS 3 HB2 CYS 3 16.386 24.034 17.240
20 HB3 CYS 3 HB3 CYS 3 17.355 24.008 15.787
21 H ASN 4 H ASN 4 19.374 26.371 18.516
22 HA ASN 4 HA ASN 4 21.066 27.947 16.815
23 HB2 ASN 4 HB2 ASN 4 21.563 26.944 19.648
24 HB3 ASN 4 HB3 ASN 4 22.454 28.226 18.836
25 HD21 ASN 4 HD21 ASN 4 19.814 30.614 19.135
26 HD22 ASN 4 HD22 ASN 4 20.946 30.067 17.914
27 H LEU 5 H LEU 5 21.120 25.689 15.408
28 HA LEU 5 HA LEU 5 22.922 23.648 15.886
29 HB2 LEU 5 HB2 LEU 5 21.402 23.710 14.016
30 HB3 LEU 5 HB3 LEU 5 22.239 25.096 13.318
31 HG LEU 5 HG LEU 5 24.288 23.648 13.040
32 HD11 LEU 5 HD11 LEU 5 23.776 21.876 14.693
33 HD12 LEU 5 HD12 LEU 5 22.331 21.424 13.755
34 HD13 LEU 5 HD13 LEU 5 23.954 21.193 13.072
35 HD21 LEU 5 HD21 LEU 5 23.388 22.413 11.099
36 HD22 LEU 5 HD22 LEU 5 21.739 22.796 11.643
37 HD23 LEU 5 HD23 LEU 5 22.847 24.097 11.167
38 H ARG 6 H ARG 6 23.784 26.962 14.710
39 HA ARG 6 HA ARG 6 26.478 26.434 14.063
40 HB2 ARG 6 HB2 ARG 6 26.816 28.806 14.114
41 HB3 ARG 6 HB3 ARG 6 25.208 28.499 13.473
42 HG2 ARG 6 HG2 ARG 6 24.295 28.963 15.824
43 HG3 ARG 6 HG3 ARG 6 25.923 29.494 16.267
44 HD2 ARG 6 HD2 ARG 6 24.217 30.716 14.060
45 HD3 ARG 6 HD3 ARG 6 24.414 31.327 15.716
46 HE ARG 6 HE ARG 6 26.898 30.986 14.150
47 HH11 ARG 6 HH11 ARG 6 24.466 33.311 15.204
48 HH12 ARG 6 HH12 ARG 6 25.543 34.659 14.936
49 HH21 ARG 6 HH21 ARG 6 28.222 32.708 13.957
50 HH22 ARG 6 HH22 ARG 6 27.691 34.301 14.415
51 H ARG 7 H ARG 7 25.115 27.059 17.244
52 HA ARG 7 HA ARG 7 27.744 27.168 18.606
53 HB2 ARG 7 HB2 ARG 7 24.845 27.116 19.564
54 HB3 ARG 7 HB3 ARG 7 26.222 26.957 20.664
55 HG2 ARG 7 HG2 ARG 7 27.131 29.091 19.957
56 HG3 ARG 7 HG3 ARG 7 25.875 29.294 18.734
57 HD2 ARG 7 HD2 ARG 7 25.422 30.657 20.722
58 HD3 ARG 7 HD3 ARG 7 24.146 29.467 20.419
59 HE ARG 7 HE ARG 7 26.185 28.545 22.313
60 HH11 ARG 7 HH11 ARG 7 23.493 30.812 22.227
61 HH12 ARG 7 HH12 ARG 7 23.071 30.434 23.894
62 HH21 ARG 7 HH21 ARG 7 25.256 27.904 24.346
63 HH22 ARG 7 HH22 ARG 7 24.026 28.988 24.995
64 H CYS 8 H CYS 8 25.117 24.828 18.134
65 HA CYS 8 HA CYS 8 26.289 22.738 19.683
66 HB2 CYS 8 HB2 CYS 8 24.450 22.520 17.275
67 HB3 CYS 8 HB3 CYS 8 24.708 21.299 18.518
68 H GLU 9 H GLU 9 26.695 23.508 16.204
69 HA GLU 9 HA GLU 9 28.520 21.425 15.521
70 HB2 GLU 9 HB2 GLU 9 28.052 24.239 14.453
71 HB3 GLU 9 HB3 GLU 9 29.232 23.126 13.735
72 HG2 GLU 9 HG2 GLU 9 27.486 21.447 13.346
73 HG3 GLU 9 HG3 GLU 9 26.264 22.507 14.005
74 H LEU 10 H LEU 10 29.087 24.418 17.310
75 HA LEU 10 HA LEU 10 32.013 24.147 17.302
76 HB2 LEU 10 HB2 LEU 10 31.797 26.324 17.610
77 HB3 LEU 10 HB3 LEU 10 30.075 26.193 17.820
78 HG LEU 10 HG LEU 10 30.454 25.769 20.290
79 HD11 LEU 10 HD11 LEU 10 32.576 26.584 21.250
80 HD12 LEU 10 HD12 LEU 10 32.898 25.182 20.236
81 HD13 LEU 10 HD13 LEU 10 33.244 26.809 19.620
82 HD21 LEU 10 HD21 LEU 10 31.422 28.404 19.110
83 HD22 LEU 10 HD22 LEU 10 29.731 27.940 19.393
84 HD23 LEU 10 HD23 LEU 10 30.822 28.152 20.764
85 H SER 11 H SER 11 29.374 23.695 19.673
86 HA SER 11 HA SER 11 30.968 22.876 21.835
87 HB2 SER 11 HB2 SER 11 28.610 23.612 21.909
88 HB3 SER 11 HB3 SER 11 28.101 22.082 21.185
89 HG SER 11 HG SER 11 28.721 21.013 23.047
90 H CYS 12 H CYS 12 29.590 20.862 19.237
91 HA CYS 12 HA CYS 12 30.564 18.345 20.313
92 HB2 CYS 12 HB2 CYS 12 29.721 19.114 17.495
93 HB3 CYS 12 HB3 CYS 12 30.032 17.469 18.080
94 H ARG 13 H ARG 13 31.986 20.860 18.205
95 HA ARG 13 HA ARG 13 34.203 19.313 17.195
96 HB2 ARG 13 HB2 ARG 13 33.172 21.709 16.610
97 HB3 ARG 13 HB3 ARG 13 34.349 22.286 17.750
98 HG2 ARG 13 HG2 ARG 13 35.006 20.538 15.323
99 HG3 ARG 13 HG3 ARG 13 34.936 22.295 15.253
100 HD2 ARG 13 HD2 ARG 13 36.873 20.649 16.899
101 HD3 ARG 13 HD3 ARG 13 37.217 21.574 15.428
102 HE ARG 13 HE ARG 13 36.131 23.420 17.239
103 HH11 ARG 13 HH11 ARG 13 39.146 21.618 16.858
104 HH12 ARG 13 HH12 ARG 13 39.967 22.712 17.972
105 HH21 ARG 13 HH21 ARG 13 37.265 24.552 18.798
106 HH22 ARG 13 HH22 ARG 13 39.008 24.298 18.921
107 H SER 14 H SER 14 33.576 21.020 20.210
108 HA SER 14 HA SER 14 36.257 20.687 21.251
109 HB2 SER 14 HB2 SER 14 34.693 22.408 22.117
110 HB3 SER 14 HB3 SER 14 33.625 21.130 22.720
111 HG SER 14 HG SER 14 36.221 21.854 23.602
112 H LEU 15 H LEU 15 33.703 18.437 20.878
113 HA LEU 15 HA LEU 15 35.039 16.402 22.587
114 HB2 LEU 15 HB2 LEU 15 32.382 16.344 21.096
115 HB3 LEU 15 HB3 LEU 15 32.991 15.078 22.146
116 HG LEU 15 HG LEU 15 32.295 17.896 23.080
117 HD11 LEU 15 HD11 LEU 15 30.327 16.860 24.089
118 HD12 LEU 15 HD12 LEU 15 30.309 16.653 22.333
119 HD13 LEU 15 HD13 LEU 15 30.763 15.287 23.379
120 HD21 LEU 15 HD21 LEU 15 32.968 15.366 24.647
121 HD22 LEU 15 HD22 LEU 15 33.977 16.827 24.538
122 HD23 LEU 15 HD23 LEU 15 32.406 16.898 25.344
123 H GLY 16 H GLY 16 35.476 17.623 19.603
124 HA2 GLY 16 HA2 GLY 16 36.890 16.867 17.923
125 HA3 GLY 16 HA3 GLY 16 36.691 15.202 18.465
126 H LEU 17 H LEU 17 33.667 16.772 18.070
127 HA LEU 17 HA LEU 17 33.220 15.159 15.562
128 HB2 LEU 17 HB2 LEU 17 30.939 15.653 17.407
129 HB3 LEU 17 HB3 LEU 17 31.275 14.274 16.388
130 HG LEU 17 HG LEU 17 32.589 14.958 18.997
131 HD11 LEU 17 HD11 LEU 17 30.367 13.004 18.421
132 HD12 LEU 17 HD12 LEU 17 31.330 13.020 19.918
133 HD13 LEU 17 HD13 LEU 17 30.375 14.432 19.504
134 HD21 LEU 17 HD21 LEU 17 33.482 12.628 18.971
135 HD22 LEU 17 HD22 LEU 17 32.650 12.310 17.435
136 HD23 LEU 17 HD23 LEU 17 34.008 13.443 17.501
137 H LEU 18 H LEU 18 30.927 15.604 14.776
138 HA LEU 18 HA LEU 18 30.553 18.490 14.120
139 HB2 LEU 18 HB2 LEU 18 29.962 15.920 12.675
140 HB3 LEU 18 HB3 LEU 18 28.783 17.200 12.503
141 HG LEU 18 HG LEU 18 30.435 17.187 10.678
142 HD11 LEU 18 HD11 LEU 18 30.910 19.547 10.610
143 HD12 LEU 18 HD12 LEU 18 29.302 19.281 11.292
144 HD13 LEU 18 HD13 LEU 18 30.666 19.711 12.353
145 HD21 LEU 18 HD21 LEU 18 32.521 18.079 12.709
146 HD22 LEU 18 HD22 LEU 18 32.425 16.451 12.007
147 HD23 LEU 18 HD23 LEU 18 32.731 17.847 10.963
148 H GLY 19 H GLY 19 28.347 19.273 14.067
149 HA2 GLY 19 HA2 GLY 19 26.665 18.144 16.278
150 HA3 GLY 19 HA3 GLY 19 26.859 19.862 16.003
151 H GLU 20 H GLU 20 24.464 18.318 16.118
152 HA GLU 20 HA GLU 20 23.110 18.887 13.526
153 HB2 GLU 20 HB2 GLU 20 23.805 16.574 13.404
154 HB3 GLU 20 HB3 GLU 20 23.318 16.284 15.071
155 HG2 GLU 20 HG2 GLU 20 21.795 15.177 13.640
156 HG3 GLU 20 HG3 GLU 20 20.941 16.475 14.446
157 H CYS 21 H CYS 21 20.788 19.235 13.844
158 HA CYS 21 HA CYS 21 19.851 19.170 16.669
159 HB2 CYS 21 HB2 CYS 21 20.359 21.481 16.048
160 HB3 CYS 21 HB3 CYS 21 19.169 21.392 14.734
161 H ILE 22 H ILE 22 18.346 17.773 16.961
162 HA ILE 22 HA ILE 22 16.588 16.886 14.715
163 HB ILE 22 HB ILE 22 17.252 15.481 17.323
164 HG12 ILE 22 HG12 ILE 22 19.212 15.398 15.907
165 HG13 ILE 22 HG13 ILE 22 18.453 13.825 15.978
166 HG21 ILE 22 HG21 ILE 22 15.005 14.895 16.619
167 HG22 ILE 22 HG22 ILE 22 15.551 14.586 14.958
168 HG23 ILE 22 HG23 ILE 22 16.075 13.536 16.291
169 HD11 ILE 22 HD11 ILE 22 19.239 14.289 13.714
170 HD12 ILE 22 HD12 ILE 22 17.470 14.173 13.706
171 HD13 ILE 22 HD13 ILE 22 18.270 15.762 13.632
172 H GLY 23 H GLY 23 14.510 17.447 14.757
173 HA2 GLY 23 HA2 GLY 23 12.584 18.579 15.478
174 HA3 GLY 23 HA3 GLY 23 13.009 18.144 17.146
175 H GLU 24 H GLU 24 13.650 19.783 18.437
176 HA GLU 24 HA GLU 24 15.029 22.147 17.282
177 HB2 GLU 24 HB2 GLU 24 12.815 22.392 19.348
178 HB3 GLU 24 HB3 GLU 24 13.794 23.701 18.650
179 HG2 GLU 24 HG2 GLU 24 12.926 22.942 16.359
180 HG3 GLU 24 HG3 GLU 24 11.746 21.963 17.224
181 H GLU 25 H GLU 25 16.088 19.770 18.515
182 HA GLU 25 HA GLU 25 17.471 20.826 20.918
183 HB2 GLU 25 HB2 GLU 25 15.565 19.437 21.603
184 HB3 GLU 25 HB3 GLU 25 16.121 18.129 20.553
185 HG2 GLU 25 HG2 GLU 25 18.183 17.926 21.874
186 HG3 GLU 25 HG3 GLU 25 17.636 19.243 22.932
187 H CYS 26 H CYS 26 19.635 20.346 21.022
188 HA CYS 26 HA CYS 26 20.810 19.384 18.524
189 HB2 CYS 26 HB2 CYS 26 21.915 20.790 20.947
190 HB3 CYS 26 HB3 CYS 26 22.951 20.148 19.671
191 H LYS 27 H LYS 27 22.385 17.905 18.196
192 HA LYS 27 HA LYS 27 23.312 16.039 20.297
193 HB2 LYS 27 HB2 LYS 27 22.157 15.058 17.654
194 HB3 LYS 27 HB3 LYS 27 22.803 14.056 18.946
195 HG2 LYS 27 HG2 LYS 27 20.256 15.723 19.097
196 HG3 LYS 27 HG3 LYS 27 20.329 14.011 18.765
197 HD2 LYS 27 HD2 LYS 27 20.971 13.412 20.961
198 HD3 LYS 27 HD3 LYS 27 21.476 15.068 21.353
199 HE2 LYS 27 HE2 LYS 27 19.147 15.869 21.096
200 HE3 LYS 27 HE3 LYS 27 18.611 14.215 20.763
201 HZ1 LYS 27 HZ1 LYS 27 19.055 13.628 23.022
202 HZ2 LYS 27 HZ2 LYS 27 19.981 14.948 23.304
203 HZ3 LYS 27 HZ3 LYS 27 18.353 15.086 23.101
204 H CYS 28 H CYS 28 25.210 14.741 19.485
205 HA CYS 28 HA CYS 28 26.701 16.128 17.265
206 HB2 CYS 28 HB2 CYS 28 27.802 14.337 19.445
207 HB3 CYS 28 HB3 CYS 28 28.726 15.272 18.262
208 H VAL 29 H VAL 29 27.816 14.930 15.669
209 HA VAL 29 HA VAL 29 26.691 12.205 15.204
210 HB VAL 29 HB VAL 29 26.580 12.729 12.803
211 HG11 VAL 29 HG11 VAL 29 24.823 14.424 14.582
212 HG12 VAL 29 HG12 VAL 29 24.455 13.882 12.927
213 HG13 VAL 29 HG13 VAL 29 24.611 12.692 14.236
214 HG21 VAL 29 HG21 VAL 29 28.033 14.683 12.629
215 HG22 VAL 29 HG22 VAL 29 26.404 15.049 12.045
216 HG23 VAL 29 HG23 VAL 29 26.906 15.625 13.643
217 HA PRO 30 HA PRO 30 30.794 10.873 14.600
218 HB2 PRO 30 HB2 PRO 30 30.402 8.347 13.731
219 HB3 PRO 30 HB3 PRO 30 29.749 8.887 15.305
220 HG2 PRO 30 HG2 PRO 30 28.278 8.754 12.651
221 HG3 PRO 30 HG3 PRO 30 27.789 8.029 14.219
222 HD2 PRO 30 HD2 PRO 30 26.880 10.473 13.430
223 HD3 PRO 30 HD3 PRO 30 27.267 10.118 15.141
224 H TYR 31 H TYR 31 28.869 11.404 11.792
225 HA TYR 31 HA TYR 31 30.331 10.063 9.806
226 HB2 TYR 31 HB2 TYR 31 28.751 12.597 9.345
227 HB3 TYR 31 HB3 TYR 31 29.018 11.276 8.231
228 HD1 TYR 31 HD1 TYR 31 28.252 8.859 9.338
229 HD2 TYR 31 HD2 TYR 31 26.629 12.751 10.266
230 HE1 TYR 31 HE1 TYR 31 26.185 7.777 10.219
231 HE2 TYR 31 HE2 TYR 31 24.541 11.662 11.130
232 HH TYR 31 HH TYR 31 24.268 8.145 11.463
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 10.647 26.207 22.209
2 H2 ALA 1 H2 ALA 1 10.946 25.328 20.848
3 H3 ALA 1 H3 ALA 1 10.872 26.976 20.780
4 HA ALA 1 HA ALA 1 12.776 27.193 22.188
5 HB1 ALA 1 HB1 ALA 1 14.151 25.247 22.736
6 HB2 ALA 1 HB2 ALA 1 12.537 25.061 23.440
7 HB3 ALA 1 HB3 ALA 1 12.977 24.161 21.970
8 H PHE 2 H PHE 2 14.571 27.812 21.087
9 HA PHE 2 HA PHE 2 14.688 27.385 18.202
10 HB2 PHE 2 HB2 PHE 2 16.361 28.969 20.173
11 HB3 PHE 2 HB3 PHE 2 16.724 28.856 18.451
12 HD1 PHE 2 HD1 PHE 2 14.341 30.228 20.947
13 HD2 PHE 2 HD2 PHE 2 15.341 29.920 16.761
14 HE1 PHE 2 HE1 PHE 2 12.821 32.117 20.435
15 HE2 PHE 2 HE2 PHE 2 13.814 31.795 16.264
16 HZ PHE 2 HZ PHE 2 12.568 32.934 18.098
17 H CYS 3 H CYS 3 15.679 25.712 17.317
18 HA CYS 3 HA CYS 3 17.771 24.161 18.649
19 HB2 CYS 3 HB2 CYS 3 16.083 23.274 16.993
20 HB3 CYS 3 HB3 CYS 3 16.981 24.089 15.721
21 H ASN 4 H ASN 4 19.363 25.752 19.177
22 HA ASN 4 HA ASN 4 20.615 27.417 17.167
23 HB2 ASN 4 HB2 ASN 4 21.348 26.863 20.050
24 HB3 ASN 4 HB3 ASN 4 22.194 27.979 19.002
25 HD21 ASN 4 HD21 ASN 4 19.019 29.449 20.794
26 HD22 ASN 4 HD22 ASN 4 19.708 27.901 21.280
27 H LEU 5 H LEU 5 20.912 25.340 15.795
28 HA LEU 5 HA LEU 5 22.782 23.319 16.110
29 HB2 LEU 5 HB2 LEU 5 21.316 23.432 14.194
30 HB3 LEU 5 HB3 LEU 5 21.986 24.983 13.696
31 HG LEU 5 HG LEU 5 24.205 23.799 13.258
32 HD11 LEU 5 HD11 LEU 5 24.128 21.370 12.938
33 HD12 LEU 5 HD12 LEU 5 23.779 21.763 14.627
34 HD13 LEU 5 HD13 LEU 5 22.450 21.327 13.523
35 HD21 LEU 5 HD21 LEU 5 21.788 22.923 11.662
36 HD22 LEU 5 HD22 LEU 5 22.703 24.428 11.454
37 HD23 LEU 5 HD23 LEU 5 23.479 22.870 11.117
38 H ARG 6 H ARG 6 23.498 26.627 14.816
39 HA ARG 6 HA ARG 6 26.223 26.010 14.236
40 HB2 ARG 6 HB2 ARG 6 24.912 28.727 14.695
41 HB3 ARG 6 HB3 ARG 6 26.424 28.432 13.836
42 HG2 ARG 6 HG2 ARG 6 23.668 27.408 12.962
43 HG3 ARG 6 HG3 ARG 6 24.476 28.813 12.311
44 HD2 ARG 6 HD2 ARG 6 25.648 26.006 12.176
45 HD3 ARG 6 HD3 ARG 6 24.634 26.720 10.923
46 HE ARG 6 HE ARG 6 26.427 28.657 11.089
47 HH11 ARG 6 HH11 ARG 6 27.371 25.251 11.264
48 HH12 ARG 6 HH12 ARG 6 28.692 25.544 10.165
49 HH21 ARG 6 HH21 ARG 6 28.086 28.857 9.736
50 HH22 ARG 6 HH22 ARG 6 29.111 27.457 9.356
51 H ARG 7 H ARG 7 24.731 27.262 17.180
52 HA ARG 7 HA ARG 7 27.271 27.857 18.549
53 HB2 ARG 7 HB2 ARG 7 24.461 27.414 19.638
54 HB3 ARG 7 HB3 ARG 7 25.806 28.064 20.550
55 HG2 ARG 7 HG2 ARG 7 25.152 29.591 18.044
56 HG3 ARG 7 HG3 ARG 7 23.878 29.537 19.247
57 HD2 ARG 7 HD2 ARG 7 25.158 31.522 19.609
58 HD3 ARG 7 HD3 ARG 7 25.377 30.428 20.970
59 HE ARG 7 HE ARG 7 27.621 30.240 20.464
60 HH11 ARG 7 HH11 ARG 7 26.124 32.014 17.774
61 HH12 ARG 7 HH12 ARG 7 27.727 32.472 17.191
62 HH21 ARG 7 HH21 ARG 7 29.535 30.862 19.533
63 HH22 ARG 7 HH22 ARG 7 29.484 31.811 18.038
64 H CYS 8 H CYS 8 24.993 25.141 18.416
65 HA CYS 8 HA CYS 8 26.258 23.455 20.369
66 HB2 CYS 8 HB2 CYS 8 23.971 23.147 19.769
67 HB3 CYS 8 HB3 CYS 8 24.352 23.091 18.061
68 H GLU 9 H GLU 9 26.647 23.594 16.779
69 HA GLU 9 HA GLU 9 28.292 21.352 16.403
70 HB2 GLU 9 HB2 GLU 9 28.099 24.045 15.037
71 HB3 GLU 9 HB3 GLU 9 29.252 22.832 14.472
72 HG2 GLU 9 HG2 GLU 9 27.479 21.218 14.083
73 HG3 GLU 9 HG3 GLU 9 26.261 22.343 14.665
74 H LEU 10 H LEU 10 29.316 24.544 17.577
75 HA LEU 10 HA LEU 10 32.150 24.105 17.464
76 HB2 LEU 10 HB2 LEU 10 30.568 25.867 19.368
77 HB3 LEU 10 HB3 LEU 10 32.279 26.039 18.944
78 HG LEU 10 HG LEU 10 29.917 26.458 17.074
79 HD11 LEU 10 HD11 LEU 10 31.807 28.452 18.329
80 HD12 LEU 10 HD12 LEU 10 30.515 28.825 17.165
81 HD13 LEU 10 HD13 LEU 10 30.107 28.197 18.781
82 HD21 LEU 10 HD21 LEU 10 31.840 25.680 15.780
83 HD22 LEU 10 HD22 LEU 10 31.549 27.407 15.493
84 HD23 LEU 10 HD23 LEU 10 32.865 26.904 16.566
85 H SER 11 H SER 11 29.701 23.519 19.965
86 HA SER 11 HA SER 11 31.496 22.561 22.036
87 HB2 SER 11 HB2 SER 11 29.075 23.240 22.340
88 HB3 SER 11 HB3 SER 11 28.589 21.766 21.561
89 HG SER 11 HG SER 11 28.720 21.687 23.869
90 H CYS 12 H CYS 12 29.718 20.907 19.376
91 HA CYS 12 HA CYS 12 30.713 18.298 20.041
92 HB2 CYS 12 HB2 CYS 12 29.797 19.220 17.309
93 HB3 CYS 12 HB3 CYS 12 29.916 17.561 17.937
94 H ARG 13 H ARG 13 31.943 20.853 17.838
95 HA ARG 13 HA ARG 13 34.186 19.455 16.751
96 HB2 ARG 13 HB2 ARG 13 33.281 21.732 16.093
97 HB3 ARG 13 HB3 ARG 13 34.138 22.409 17.474
98 HG2 ARG 13 HG2 ARG 13 36.275 21.517 16.583
99 HG3 ARG 13 HG3 ARG 13 35.422 20.781 15.209
100 HD2 ARG 13 HD2 ARG 13 35.443 23.737 15.884
101 HD3 ARG 13 HD3 ARG 13 36.546 22.968 14.726
102 HE ARG 13 HE ARG 13 34.233 22.198 13.640
103 HH11 ARG 13 HH11 ARG 13 34.982 25.485 14.753
104 HH12 ARG 13 HH12 ARG 13 33.801 26.125 13.623
105 HH21 ARG 13 HH21 ARG 13 32.860 23.136 12.338
106 HH22 ARG 13 HH22 ARG 13 32.698 24.908 12.311
107 H SER 14 H SER 14 33.774 21.075 19.880
108 HA SER 14 HA SER 14 36.526 20.726 20.713
109 HB2 SER 14 HB2 SER 14 35.240 22.472 21.733
110 HB3 SER 14 HB3 SER 14 33.950 21.354 22.193
111 HG SER 14 HG SER 14 36.618 21.380 23.210
112 H LEU 15 H LEU 15 33.577 18.771 21.220
113 HA LEU 15 HA LEU 15 34.960 16.627 22.607
114 HB2 LEU 15 HB2 LEU 15 32.346 16.695 21.046
115 HB3 LEU 15 HB3 LEU 15 32.881 15.333 22.020
116 HG LEU 15 HG LEU 15 32.392 18.120 23.164
117 HD11 LEU 15 HD11 LEU 15 30.277 17.187 24.016
118 HD12 LEU 15 HD12 LEU 15 30.308 17.205 22.248
119 HD13 LEU 15 HD13 LEU 15 30.575 15.677 23.121
120 HD21 LEU 15 HD21 LEU 15 33.870 16.723 24.564
121 HD22 LEU 15 HD22 LEU 15 32.282 16.886 25.318
122 HD23 LEU 15 HD23 LEU 15 32.708 15.380 24.479
123 H GLY 16 H GLY 16 35.366 17.686 19.471
124 HA2 GLY 16 HA2 GLY 16 36.767 16.826 17.844
125 HA3 GLY 16 HA3 GLY 16 36.718 15.230 18.592
126 H LEU 17 H LEU 17 33.663 16.766 17.969
127 HA LEU 17 HA LEU 17 33.079 14.812 15.771
128 HB2 LEU 17 HB2 LEU 17 30.856 15.596 17.569
129 HB3 LEU 17 HB3 LEU 17 31.182 14.066 16.785
130 HG LEU 17 HG LEU 17 32.523 15.143 19.224
131 HD11 LEU 17 HD11 LEU 17 30.245 13.168 18.985
132 HD12 LEU 17 HD12 LEU 17 31.228 13.354 20.455
133 HD13 LEU 17 HD13 LEU 17 30.307 14.726 19.865
134 HD21 LEU 17 HD21 LEU 17 33.357 12.807 19.570
135 HD22 LEU 17 HD22 LEU 17 32.494 12.269 18.115
136 HD23 LEU 17 HD23 LEU 17 33.881 13.357 17.979
137 H LEU 18 H LEU 18 30.815 15.233 14.953
138 HA LEU 18 HA LEU 18 30.559 18.033 13.926
139 HB2 LEU 18 HB2 LEU 18 29.192 15.481 13.002
140 HB3 LEU 18 HB3 LEU 18 28.896 17.077 12.367
141 HG LEU 18 HG LEU 18 30.198 16.050 10.791
142 HD11 LEU 18 HD11 LEU 18 32.228 17.320 10.617
143 HD12 LEU 18 HD12 LEU 18 30.958 18.350 11.308
144 HD13 LEU 18 HD13 LEU 18 32.228 17.671 12.355
145 HD21 LEU 18 HD21 LEU 18 32.319 15.261 12.807
146 HD22 LEU 18 HD22 LEU 18 31.049 14.170 12.208
147 HD23 LEU 18 HD23 LEU 18 32.249 14.853 11.090
148 H GLY 19 H GLY 19 28.376 18.858 13.827
149 HA2 GLY 19 HA2 GLY 19 26.600 17.988 16.108
150 HA3 GLY 19 HA3 GLY 19 26.881 19.684 15.764
151 H GLU 20 H GLU 20 24.423 17.926 15.757
152 HA GLU 20 HA GLU 20 23.286 18.938 13.211
153 HB2 GLU 20 HB2 GLU 20 24.058 16.732 12.655
154 HB3 GLU 20 HB3 GLU 20 23.404 16.056 14.136
155 HG2 GLU 20 HG2 GLU 20 22.093 15.354 12.287
156 HG3 GLU 20 HG3 GLU 20 21.106 16.371 13.319
157 H CYS 21 H CYS 21 21.078 19.336 13.186
158 HA CYS 21 HA CYS 21 19.775 19.579 15.825
159 HB2 CYS 21 HB2 CYS 21 19.722 21.487 14.202
160 HB3 CYS 21 HB3 CYS 21 18.759 20.473 13.121
161 H ILE 22 H ILE 22 18.226 18.298 16.568
162 HA ILE 22 HA ILE 22 17.265 15.982 15.038
163 HB ILE 22 HB ILE 22 16.575 16.946 17.833
164 HG12 ILE 22 HG12 ILE 22 18.911 16.496 17.872
165 HG13 ILE 22 HG13 ILE 22 18.104 15.119 18.595
166 HG21 ILE 22 HG21 ILE 22 15.829 14.635 18.215
167 HG22 ILE 22 HG22 ILE 22 14.858 15.424 16.979
168 HG23 ILE 22 HG23 ILE 22 16.096 14.241 16.506
169 HD11 ILE 22 HD11 ILE 22 19.868 14.277 17.204
170 HD12 ILE 22 HD12 ILE 22 18.361 13.901 16.360
171 HD13 ILE 22 HD13 ILE 22 19.371 15.269 15.825
172 H GLY 23 H GLY 23 15.860 18.960 16.374
173 HA2 GLY 23 HA2 GLY 23 14.076 19.528 14.299
174 HA3 GLY 23 HA3 GLY 23 13.162 18.547 15.453
175 H GLU 24 H GLU 24 14.099 19.455 17.907
176 HA GLU 24 HA GLU 24 13.859 22.448 17.888
177 HB2 GLU 24 HB2 GLU 24 12.644 22.426 19.911
178 HB3 GLU 24 HB3 GLU 24 11.812 21.352 18.789
179 HG2 GLU 24 HG2 GLU 24 12.691 19.398 19.949
180 HG3 GLU 24 HG3 GLU 24 13.708 20.396 20.988
181 H GLU 25 H GLU 25 15.999 19.941 18.542
182 HA GLU 25 HA GLU 25 17.771 21.681 20.108
183 HB2 GLU 25 HB2 GLU 25 18.063 20.214 21.883
184 HB3 GLU 25 HB3 GLU 25 16.328 20.393 21.736
185 HG2 GLU 25 HG2 GLU 25 16.192 18.198 20.564
186 HG3 GLU 25 HG3 GLU 25 17.945 17.991 20.744
187 H CYS 26 H CYS 26 19.996 20.616 20.385
188 HA CYS 26 HA CYS 26 20.649 19.218 17.835
189 HB2 CYS 26 HB2 CYS 26 21.193 21.506 17.670
190 HB3 CYS 26 HB3 CYS 26 21.973 21.520 19.249
191 H LYS 27 H LYS 27 22.083 17.658 17.733
192 HA LYS 27 HA LYS 27 23.399 16.645 20.211
193 HB2 LYS 27 HB2 LYS 27 21.780 15.028 18.216
194 HB3 LYS 27 HB3 LYS 27 22.716 14.340 19.537
195 HG2 LYS 27 HG2 LYS 27 20.402 16.290 19.988
196 HG3 LYS 27 HG3 LYS 27 20.200 14.553 19.902
197 HD2 LYS 27 HD2 LYS 27 21.604 14.187 21.838
198 HD3 LYS 27 HD3 LYS 27 22.060 15.902 21.900
199 HE2 LYS 27 HE2 LYS 27 19.763 16.562 22.346
200 HE3 LYS 27 HE3 LYS 27 19.203 14.888 22.180
201 HZ1 LYS 27 HZ1 LYS 27 21.123 15.785 24.270
202 HZ2 LYS 27 HZ2 LYS 27 19.505 15.527 24.515
203 HZ3 LYS 27 HZ3 LYS 27 20.469 14.291 24.146
204 H CYS 28 H CYS 28 25.329 15.657 19.960
205 HA CYS 28 HA CYS 28 26.757 16.298 17.491
206 HB2 CYS 28 HB2 CYS 28 27.776 14.900 19.968
207 HB3 CYS 28 HB3 CYS 28 28.720 15.635 18.692
208 H VAL 29 H VAL 29 27.827 14.889 16.102
209 HA VAL 29 HA VAL 29 27.362 11.977 16.381
210 HB VAL 29 HB VAL 29 26.822 11.754 14.010
211 HG11 VAL 29 HG11 VAL 29 24.482 12.411 14.168
212 HG12 VAL 29 HG12 VAL 29 25.049 11.731 15.695
213 HG13 VAL 29 HG13 VAL 29 24.837 13.495 15.522
214 HG21 VAL 29 HG21 VAL 29 25.919 13.712 12.749
215 HG22 VAL 29 HG22 VAL 29 26.548 14.793 14.003
216 HG23 VAL 29 HG23 VAL 29 27.657 13.801 13.023
217 HA PRO 30 HA PRO 30 31.627 11.994 15.113
218 HB2 PRO 30 HB2 PRO 30 32.154 9.353 15.127
219 HB3 PRO 30 HB3 PRO 30 31.651 10.200 16.621
220 HG2 PRO 30 HG2 PRO 30 29.945 8.558 14.707
221 HG3 PRO 30 HG3 PRO 30 30.034 8.445 16.494
222 HD2 PRO 30 HD2 PRO 30 28.108 9.910 15.180
223 HD3 PRO 30 HD3 PRO 30 28.752 10.357 16.793
224 H TYR 31 H TYR 31 29.263 11.026 12.942
225 HA TYR 31 HA TYR 31 30.238 9.346 11.093
226 HB2 TYR 31 HB2 TYR 31 28.656 11.820 10.366
227 HB3 TYR 31 HB3 TYR 31 28.714 10.315 9.463
228 HD1 TYR 31 HD1 TYR 31 28.344 8.265 11.640
229 HD2 TYR 31 HD2 TYR 31 26.399 12.048 10.916
230 HE1 TYR 31 HE1 TYR 31 26.316 7.449 12.817
231 HE2 TYR 31 HE2 TYR 31 24.360 11.214 12.092
232 HH TYR 31 HH TYR 31 23.436 9.522 13.306
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 10.408 29.540 19.847
2 H2 ALA 1 H2 ALA 1 10.489 30.172 21.375
3 H3 ALA 1 H3 ALA 1 10.750 28.574 21.141
4 HA ALA 1 HA ALA 1 12.433 30.678 20.014
5 HB1 ALA 1 HB1 ALA 1 14.120 30.102 21.708
6 HB2 ALA 1 HB2 ALA 1 12.629 30.689 22.470
7 HB3 ALA 1 HB3 ALA 1 12.995 28.949 22.454
8 H PHE 2 H PHE 2 14.175 29.983 18.752
9 HA PHE 2 HA PHE 2 13.901 27.295 17.653
10 HB2 PHE 2 HB2 PHE 2 15.546 29.673 16.782
11 HB3 PHE 2 HB3 PHE 2 15.313 28.180 15.865
12 HD1 PHE 2 HD1 PHE 2 14.158 31.514 16.249
13 HD2 PHE 2 HD2 PHE 2 12.777 27.513 15.403
14 HE1 PHE 2 HE1 PHE 2 12.161 32.446 15.097
15 HE2 PHE 2 HE2 PHE 2 10.781 28.443 14.262
16 HZ PHE 2 HZ PHE 2 10.475 30.904 14.105
17 H CYS 3 H CYS 3 15.728 26.058 17.128
18 HA CYS 3 HA CYS 3 17.830 25.813 19.175
19 HB2 CYS 3 HB2 CYS 3 16.651 23.851 18.395
20 HB3 CYS 3 HB3 CYS 3 17.089 24.174 16.726
21 H ASN 4 H ASN 4 19.584 27.024 19.039
22 HA ASN 4 HA ASN 4 20.755 28.168 16.620
23 HB2 ASN 4 HB2 ASN 4 21.832 27.879 19.454
24 HB3 ASN 4 HB3 ASN 4 22.647 28.728 18.154
25 HD21 ASN 4 HD21 ASN 4 19.429 30.524 19.960
26 HD22 ASN 4 HD22 ASN 4 19.592 28.777 20.027
27 H LEU 5 H LEU 5 21.370 26.693 15.104
28 HA LEU 5 HA LEU 5 22.615 24.187 15.669
29 HB2 LEU 5 HB2 LEU 5 21.288 24.615 13.669
30 HB3 LEU 5 HB3 LEU 5 22.427 25.853 13.137
31 HG LEU 5 HG LEU 5 24.195 24.118 12.876
32 HD11 LEU 5 HD11 LEU 5 21.950 22.154 13.520
33 HD12 LEU 5 HD12 LEU 5 23.538 21.722 12.851
34 HD13 LEU 5 HD13 LEU 5 23.434 22.401 14.478
35 HD21 LEU 5 HD21 LEU 5 21.615 23.499 11.397
36 HD22 LEU 5 HD22 LEU 5 22.762 24.794 10.986
37 HD23 LEU 5 HD23 LEU 5 23.256 23.102 10.875
38 H ARG 6 H ARG 6 24.135 27.344 14.671
39 HA ARG 6 HA ARG 6 26.764 26.222 14.313
40 HB2 ARG 6 HB2 ARG 6 25.877 29.053 15.017
41 HB3 ARG 6 HB3 ARG 6 27.509 28.612 14.545
42 HG2 ARG 6 HG2 ARG 6 25.043 28.269 12.790
43 HG3 ARG 6 HG3 ARG 6 26.190 29.597 12.688
44 HD2 ARG 6 HD2 ARG 6 26.853 26.659 12.172
45 HD3 ARG 6 HD3 ARG 6 26.518 27.884 10.948
46 HE ARG 6 HE ARG 6 28.638 28.765 12.685
47 HH11 ARG 6 HH11 ARG 6 28.069 26.733 9.840
48 HH12 ARG 6 HH12 ARG 6 29.709 26.935 9.303
49 HH21 ARG 6 HH21 ARG 6 30.756 28.866 11.898
50 HH22 ARG 6 HH22 ARG 6 31.041 28.256 10.271
51 H ARG 7 H ARG 7 25.173 27.430 17.186
52 HA ARG 7 HA ARG 7 27.382 27.179 19.044
53 HB2 ARG 7 HB2 ARG 7 24.355 27.127 19.421
54 HB3 ARG 7 HB3 ARG 7 25.517 27.084 20.749
55 HG2 ARG 7 HG2 ARG 7 26.484 29.234 19.946
56 HG3 ARG 7 HG3 ARG 7 25.205 29.335 18.722
57 HD2 ARG 7 HD2 ARG 7 23.491 29.256 20.522
58 HD3 ARG 7 HD3 ARG 7 24.773 29.202 21.744
59 HE ARG 7 HE ARG 7 25.431 31.465 20.390
60 HH11 ARG 7 HH11 ARG 7 22.372 30.547 21.936
61 HH12 ARG 7 HH12 ARG 7 22.059 32.261 22.278
62 HH21 ARG 7 HH21 ARG 7 24.777 33.499 20.741
63 HH22 ARG 7 HH22 ARG 7 23.284 33.790 21.642
64 H CYS 8 H CYS 8 25.045 24.854 17.811
65 HA CYS 8 HA CYS 8 25.850 22.688 19.592
66 HB2 CYS 8 HB2 CYS 8 23.644 22.851 18.402
67 HB3 CYS 8 HB3 CYS 8 24.482 22.552 16.882
68 H GLU 9 H GLU 9 26.639 23.514 16.167
69 HA GLU 9 HA GLU 9 28.484 21.447 15.651
70 HB2 GLU 9 HB2 GLU 9 28.088 24.243 14.589
71 HB3 GLU 9 HB3 GLU 9 29.499 23.338 14.075
72 HG2 GLU 9 HG2 GLU 9 26.737 22.099 13.864
73 HG3 GLU 9 HG3 GLU 9 27.323 23.240 12.656
74 H LEU 10 H LEU 10 29.308 24.711 17.028
75 HA LEU 10 HA LEU 10 32.088 24.038 17.292
76 HB2 LEU 10 HB2 LEU 10 32.369 26.070 18.406
77 HB3 LEU 10 HB3 LEU 10 31.138 26.332 17.199
78 HG LEU 10 HG LEU 10 29.506 25.858 19.285
79 HD11 LEU 10 HD11 LEU 10 31.332 25.489 20.964
80 HD12 LEU 10 HD12 LEU 10 31.989 27.085 20.573
81 HD13 LEU 10 HD13 LEU 10 30.395 26.934 21.327
82 HD21 LEU 10 HD21 LEU 10 30.929 28.492 18.773
83 HD22 LEU 10 HD22 LEU 10 29.500 27.879 17.925
84 HD23 LEU 10 HD23 LEU 10 29.388 28.293 19.637
85 H SER 11 H SER 11 29.348 23.471 19.427
86 HA SER 11 HA SER 11 30.901 22.840 21.783
87 HB2 SER 11 HB2 SER 11 28.533 23.503 21.857
88 HB3 SER 11 HB3 SER 11 28.074 22.021 20.999
89 HG SER 11 HG SER 11 29.379 22.210 23.525
90 H CYS 12 H CYS 12 29.480 20.811 19.162
91 HA CYS 12 HA CYS 12 30.606 18.361 20.219
92 HB2 CYS 12 HB2 CYS 12 29.618 19.010 17.432
93 HB3 CYS 12 HB3 CYS 12 29.987 17.397 18.076
94 H ARG 13 H ARG 13 31.851 20.813 17.888
95 HA ARG 13 HA ARG 13 34.179 19.407 17.085
96 HB2 ARG 13 HB2 ARG 13 33.165 22.059 16.833
97 HB3 ARG 13 HB3 ARG 13 34.751 22.237 17.586
98 HG2 ARG 13 HG2 ARG 13 35.768 20.868 15.808
99 HG3 ARG 13 HG3 ARG 13 34.187 20.597 15.083
100 HD2 ARG 13 HD2 ARG 13 35.620 23.261 15.315
101 HD3 ARG 13 HD3 ARG 13 35.479 22.279 13.866
102 HE ARG 13 HE ARG 13 33.071 22.699 13.812
103 HH11 ARG 13 HH11 ARG 13 34.787 24.916 15.983
104 HH12 ARG 13 HH12 ARG 13 33.525 26.119 15.849
105 HH21 ARG 13 HH21 ARG 13 31.686 24.288 13.550
106 HH22 ARG 13 HH22 ARG 13 31.689 25.716 14.579
107 H SER 14 H SER 14 33.453 20.948 20.167
108 HA SER 14 HA SER 14 36.179 20.694 21.148
109 HB2 SER 14 HB2 SER 14 35.419 21.559 23.179
110 HB3 SER 14 HB3 SER 14 34.314 22.307 22.002
111 HG SER 14 HG SER 14 32.761 20.692 22.542
112 H LEU 15 H LEU 15 33.697 18.412 20.800
113 HA LEU 15 HA LEU 15 35.038 16.422 22.554
114 HB2 LEU 15 HB2 LEU 15 32.405 16.317 21.042
115 HB3 LEU 15 HB3 LEU 15 33.010 15.070 22.117
116 HG LEU 15 HG LEU 15 32.204 17.903 22.944
117 HD11 LEU 15 HD11 LEU 15 30.293 16.798 24.004
118 HD12 LEU 15 HD12 LEU 15 30.301 16.495 22.263
119 HD13 LEU 15 HD13 LEU 15 30.824 15.222 23.385
120 HD21 LEU 15 HD21 LEU 15 33.934 17.015 24.461
121 HD22 LEU 15 HD22 LEU 15 32.361 17.018 25.258
122 HD23 LEU 15 HD23 LEU 15 33.025 15.496 24.629
123 H GLY 16 H GLY 16 35.580 17.653 19.618
124 HA2 GLY 16 HA2 GLY 16 36.846 16.953 17.846
125 HA3 GLY 16 HA3 GLY 16 36.882 15.314 18.508
126 H LEU 17 H LEU 17 33.715 16.681 18.052
127 HA LEU 17 HA LEU 17 33.253 14.724 15.807
128 HB2 LEU 17 HB2 LEU 17 31.018 15.627 17.590
129 HB3 LEU 17 HB3 LEU 17 31.217 14.105 16.728
130 HG LEU 17 HG LEU 17 32.623 14.998 19.219
131 HD11 LEU 17 HD11 LEU 17 31.317 13.238 20.371
132 HD12 LEU 17 HD12 LEU 17 30.404 14.621 19.808
133 HD13 LEU 17 HD13 LEU 17 30.331 13.080 18.902
134 HD21 LEU 17 HD21 LEU 17 33.403 12.620 19.423
135 HD22 LEU 17 HD22 LEU 17 32.559 12.227 17.910
136 HD23 LEU 17 HD23 LEU 17 33.971 13.298 17.890
137 H LEU 18 H LEU 18 30.782 15.316 15.123
138 HA LEU 18 HA LEU 18 30.663 18.146 14.136
139 HB2 LEU 18 HB2 LEU 18 29.780 15.511 12.932
140 HB3 LEU 18 HB3 LEU 18 28.818 16.930 12.622
141 HG LEU 18 HG LEU 18 30.307 16.509 10.803
142 HD11 LEU 18 HD11 LEU 18 31.191 19.031 12.233
143 HD12 LEU 18 HD12 LEU 18 31.278 18.695 10.502
144 HD13 LEU 18 HD13 LEU 18 29.701 18.836 11.292
145 HD21 LEU 18 HD21 LEU 18 32.751 16.817 10.946
146 HD22 LEU 18 HD22 LEU 18 32.631 17.038 12.690
147 HD23 LEU 18 HD23 LEU 18 32.226 15.466 11.978
148 H GLY 19 H GLY 19 28.560 19.087 14.147
149 HA2 GLY 19 HA2 GLY 19 26.730 18.032 16.298
150 HA3 GLY 19 HA3 GLY 19 27.006 19.739 15.997
151 H GLU 20 H GLU 20 24.527 18.127 16.017
152 HA GLU 20 HA GLU 20 23.336 19.134 13.505
153 HB2 GLU 20 HB2 GLU 20 23.856 16.819 13.004
154 HB3 GLU 20 HB3 GLU 20 23.266 16.296 14.576
155 HG2 GLU 20 HG2 GLU 20 21.729 15.590 12.934
156 HG3 GLU 20 HG3 GLU 20 20.950 16.812 13.919
157 H CYS 21 H CYS 21 21.070 19.601 13.751
158 HA CYS 21 HA CYS 21 20.009 19.285 16.522
159 HB2 CYS 21 HB2 CYS 21 20.652 21.632 16.173
160 HB3 CYS 21 HB3 CYS 21 19.467 21.750 14.863
161 H ILE 22 H ILE 22 18.349 18.058 16.625
162 HA ILE 22 HA ILE 22 16.401 17.823 14.371
163 HB ILE 22 HB ILE 22 17.981 15.579 15.628
164 HG12 ILE 22 HG12 ILE 22 17.193 16.186 12.753
165 HG13 ILE 22 HG13 ILE 22 18.718 16.674 13.488
166 HG21 ILE 22 HG21 ILE 22 15.599 14.903 15.895
167 HG22 ILE 22 HG22 ILE 22 15.342 15.202 14.157
168 HG23 ILE 22 HG23 ILE 22 16.426 13.921 14.712
169 HD11 ILE 22 HD11 ILE 22 19.121 14.708 12.208
170 HD12 ILE 22 HD12 ILE 22 19.235 14.252 13.921
171 HD13 ILE 22 HD13 ILE 22 17.785 13.837 12.965
172 H GLY 23 H GLY 23 14.328 17.554 14.998
173 HA2 GLY 23 HA2 GLY 23 12.527 17.990 16.383
174 HA3 GLY 23 HA3 GLY 23 13.321 16.924 17.547
175 H GLU 24 H GLU 24 14.342 20.107 16.351
176 HA GLU 24 HA GLU 24 15.272 21.898 17.382
177 HB2 GLU 24 HB2 GLU 24 12.824 21.730 19.172
178 HB3 GLU 24 HB3 GLU 24 13.850 23.147 18.847
179 HG2 GLU 24 HG2 GLU 24 13.337 22.690 16.337
180 HG3 GLU 24 HG3 GLU 24 12.005 21.699 16.935
181 H GLU 25 H GLU 25 16.292 19.371 18.418
182 HA GLU 25 HA GLU 25 17.587 20.471 20.849
183 HB2 GLU 25 HB2 GLU 25 16.558 17.646 20.445
184 HB3 GLU 25 HB3 GLU 25 17.777 18.055 21.645
185 HG2 GLU 25 HG2 GLU 25 14.956 19.205 21.529
186 HG3 GLU 25 HG3 GLU 25 15.517 17.948 22.626
187 H CYS 26 H CYS 26 19.690 20.492 20.856
188 HA CYS 26 HA CYS 26 21.262 19.712 18.549
189 HB2 CYS 26 HB2 CYS 26 21.875 21.686 19.732
190 HB3 CYS 26 HB3 CYS 26 21.832 20.867 21.288
191 H LYS 27 H LYS 27 22.440 17.926 18.195
192 HA LYS 27 HA LYS 27 23.484 16.311 20.427
193 HB2 LYS 27 HB2 LYS 27 22.684 14.191 19.530
194 HB3 LYS 27 HB3 LYS 27 21.343 15.247 19.941
195 HG2 LYS 27 HG2 LYS 27 21.675 15.858 17.241
196 HG3 LYS 27 HG3 LYS 27 22.233 14.188 17.291
197 HD2 LYS 27 HD2 LYS 27 19.914 14.063 16.831
198 HD3 LYS 27 HD3 LYS 27 20.048 13.660 18.552
199 HE2 LYS 27 HE2 LYS 27 19.584 16.166 19.009
200 HE3 LYS 27 HE3 LYS 27 19.205 16.304 17.293
201 HZ1 LYS 27 HZ1 LYS 27 17.151 15.895 18.316
202 HZ2 LYS 27 HZ2 LYS 27 17.568 14.368 17.826
203 HZ3 LYS 27 HZ3 LYS 27 17.775 14.829 19.388
204 H CYS 28 H CYS 28 25.388 15.228 19.956
205 HA CYS 28 HA CYS 28 26.769 16.099 17.499
206 HB2 CYS 28 HB2 CYS 28 27.802 14.327 19.726
207 HB3 CYS 28 HB3 CYS 28 28.741 15.168 18.488
208 H VAL 29 H VAL 29 27.745 14.746 15.983
209 HA VAL 29 HA VAL 29 26.450 12.081 15.648
210 HB VAL 29 HB VAL 29 26.160 12.580 13.249
211 HG11 VAL 29 HG11 VAL 29 24.295 12.679 14.825
212 HG12 VAL 29 HG12 VAL 29 24.614 14.399 15.128
213 HG13 VAL 29 HG13 VAL 29 24.096 13.855 13.519
214 HG21 VAL 29 HG21 VAL 29 27.679 14.484 12.933
215 HG22 VAL 29 HG22 VAL 29 26.027 14.909 12.470
216 HG23 VAL 29 HG23 VAL 29 26.674 15.483 14.013
217 HA PRO 30 HA PRO 30 30.532 10.725 14.709
218 HB2 PRO 30 HB2 PRO 30 30.065 8.206 13.893
219 HB3 PRO 30 HB3 PRO 30 29.595 8.742 15.549
220 HG2 PRO 30 HG2 PRO 30 27.849 8.544 13.060
221 HG3 PRO 30 HG3 PRO 30 27.521 7.878 14.688
222 HD2 PRO 30 HD2 PRO 30 26.548 10.302 13.859
223 HD3 PRO 30 HD3 PRO 30 27.009 9.986 15.551
224 H TYR 31 H TYR 31 28.526 11.582 12.290
225 HA TYR 31 HA TYR 31 29.413 10.353 9.945
226 HB2 TYR 31 HB2 TYR 31 28.240 13.133 10.212
227 HB3 TYR 31 HB3 TYR 31 28.190 12.104 8.786
228 HD1 TYR 31 HD1 TYR 31 27.475 9.451 10.313
229 HD2 TYR 31 HD2 TYR 31 25.844 13.453 10.363
230 HE1 TYR 31 HE1 TYR 31 25.289 8.566 11.061
231 HE2 TYR 31 HE2 TYR 31 23.659 12.546 11.142
232 HH TYR 31 HH TYR 31 22.512 10.626 11.912
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 10.946 26.712 17.134
2 H2 ALA 1 H2 ALA 1 11.431 27.561 18.466
3 H3 ALA 1 H3 ALA 1 11.379 25.902 18.501
4 HA ALA 1 HA ALA 1 13.142 25.607 17.134
5 HB1 ALA 1 HB1 ALA 1 12.539 27.194 15.408
6 HB2 ALA 1 HB2 ALA 1 12.936 28.565 16.465
7 HB3 ALA 1 HB3 ALA 1 14.217 27.470 15.894
8 H PHE 2 H PHE 2 13.422 25.215 19.521
9 HA PHE 2 HA PHE 2 14.928 27.250 21.014
10 HB2 PHE 2 HB2 PHE 2 13.972 24.470 21.777
11 HB3 PHE 2 HB3 PHE 2 14.735 25.612 22.872
12 HD1 PHE 2 HD1 PHE 2 13.672 27.896 23.239
13 HD2 PHE 2 HD2 PHE 2 11.573 24.592 21.439
14 HE1 PHE 2 HE1 PHE 2 11.507 28.997 23.757
15 HE2 PHE 2 HE2 PHE 2 9.410 25.686 21.963
16 HZ PHE 2 HZ PHE 2 9.368 27.893 23.113
17 H CYS 3 H CYS 3 16.281 25.985 18.685
18 HA CYS 3 HA CYS 3 18.832 25.274 19.995
19 HB2 CYS 3 HB2 CYS 3 17.897 23.157 19.840
20 HB3 CYS 3 HB3 CYS 3 17.106 23.468 18.307
21 H ASN 4 H ASN 4 20.619 25.711 18.822
22 HA ASN 4 HA ASN 4 20.330 26.827 16.064
23 HB2 ASN 4 HB2 ASN 4 22.046 27.972 18.308
24 HB3 ASN 4 HB3 ASN 4 22.215 28.399 16.612
25 HD21 ASN 4 HD21 ASN 4 19.112 30.294 16.547
26 HD22 ASN 4 HD22 ASN 4 19.934 29.104 15.557
27 H LEU 5 H LEU 5 21.366 25.561 14.716
28 HA LEU 5 HA LEU 5 23.276 23.571 15.232
29 HB2 LEU 5 HB2 LEU 5 21.953 23.843 13.170
30 HB3 LEU 5 HB3 LEU 5 22.816 25.325 12.788
31 HG LEU 5 HG LEU 5 24.919 24.058 12.510
32 HD11 LEU 5 HD11 LEU 5 23.177 21.589 12.935
33 HD12 LEU 5 HD12 LEU 5 24.870 21.602 12.394
34 HD13 LEU 5 HD13 LEU 5 24.485 22.136 14.024
35 HD21 LEU 5 HD21 LEU 5 23.427 24.439 10.577
36 HD22 LEU 5 HD22 LEU 5 24.263 22.889 10.432
37 HD23 LEU 5 HD23 LEU 5 22.559 22.929 10.928
38 H ARG 6 H ARG 6 23.795 27.063 14.691
39 HA ARG 6 HA ARG 6 26.613 27.103 14.521
40 HB2 ARG 6 HB2 ARG 6 24.642 29.111 15.736
41 HB3 ARG 6 HB3 ARG 6 26.346 29.473 15.468
42 HG2 ARG 6 HG2 ARG 6 26.118 29.181 13.073
43 HG3 ARG 6 HG3 ARG 6 24.433 28.672 13.232
44 HD2 ARG 6 HD2 ARG 6 25.475 31.405 14.081
45 HD3 ARG 6 HD3 ARG 6 24.799 31.061 12.498
46 HE ARG 6 HE ARG 6 22.658 30.475 13.574
47 HH11 ARG 6 HH11 ARG 6 24.750 32.524 15.577
48 HH12 ARG 6 HH12 ARG 6 23.362 33.148 16.437
49 HH21 ARG 6 HH21 ARG 6 21.057 31.501 14.522
50 HH22 ARG 6 HH22 ARG 6 21.345 32.779 15.684
51 H ARG 7 H ARG 7 24.650 26.909 17.439
52 HA ARG 7 HA ARG 7 27.010 27.019 19.248
53 HB2 ARG 7 HB2 ARG 7 24.017 26.628 19.748
54 HB3 ARG 7 HB3 ARG 7 25.257 26.566 21.001
55 HG2 ARG 7 HG2 ARG 7 25.990 28.864 20.405
56 HG3 ARG 7 HG3 ARG 7 24.665 28.979 19.238
57 HD2 ARG 7 HD2 ARG 7 24.237 28.418 22.207
58 HD3 ARG 7 HD3 ARG 7 24.295 30.038 21.529
59 HE ARG 7 HE ARG 7 22.287 29.722 20.362
60 HH11 ARG 7 HH11 ARG 7 22.877 26.947 22.498
61 HH12 ARG 7 HH12 ARG 7 21.149 26.573 22.497
62 HH21 ARG 7 HH21 ARG 7 20.225 28.982 20.314
63 HH22 ARG 7 HH22 ARG 7 19.708 27.800 21.486
64 H CYS 8 H CYS 8 24.705 24.636 17.981
65 HA CYS 8 HA CYS 8 25.613 22.436 19.509
66 HB2 CYS 8 HB2 CYS 8 23.531 22.609 18.131
67 HB3 CYS 8 HB3 CYS 8 24.527 22.448 16.672
68 H GLU 9 H GLU 9 26.792 23.577 16.280
69 HA GLU 9 HA GLU 9 28.749 21.475 15.973
70 HB2 GLU 9 HB2 GLU 9 28.275 24.163 14.671
71 HB3 GLU 9 HB3 GLU 9 29.668 23.185 14.245
72 HG2 GLU 9 HG2 GLU 9 26.972 21.822 14.222
73 HG3 GLU 9 HG3 GLU 9 27.324 22.994 12.953
74 H LEU 10 H LEU 10 29.090 24.813 17.402
75 HA LEU 10 HA LEU 10 31.919 24.436 17.786
76 HB2 LEU 10 HB2 LEU 10 32.003 26.463 18.814
77 HB3 LEU 10 HB3 LEU 10 30.686 26.605 17.674
78 HG LEU 10 HG LEU 10 29.173 26.111 19.762
79 HD11 LEU 10 HD11 LEU 10 31.681 27.226 21.089
80 HD12 LEU 10 HD12 LEU 10 30.078 27.125 21.846
81 HD13 LEU 10 HD13 LEU 10 30.935 25.652 21.432
82 HD21 LEU 10 HD21 LEU 10 29.200 28.232 18.498
83 HD22 LEU 10 HD22 LEU 10 29.037 28.517 20.233
84 HD23 LEU 10 HD23 LEU 10 30.607 28.770 19.431
85 H SER 11 H SER 11 29.152 23.492 19.688
86 HA SER 11 HA SER 11 30.601 22.674 22.048
87 HB2 SER 11 HB2 SER 11 28.200 23.142 22.040
88 HB3 SER 11 HB3 SER 11 27.909 21.746 20.987
89 HG SER 11 HG SER 11 28.325 20.391 22.606
90 H CYS 12 H CYS 12 29.358 20.745 19.252
91 HA CYS 12 HA CYS 12 30.441 18.285 20.266
92 HB2 CYS 12 HB2 CYS 12 29.564 19.064 17.467
93 HB3 CYS 12 HB3 CYS 12 29.924 17.422 18.001
94 H ARG 13 H ARG 13 31.747 20.675 17.923
95 HA ARG 13 HA ARG 13 34.074 19.249 17.183
96 HB2 ARG 13 HB2 ARG 13 33.135 21.293 16.124
97 HB3 ARG 13 HB3 ARG 13 33.678 22.251 17.497
98 HG2 ARG 13 HG2 ARG 13 35.151 22.469 15.541
99 HG3 ARG 13 HG3 ARG 13 36.002 21.825 16.937
100 HD2 ARG 13 HD2 ARG 13 36.642 20.747 14.799
101 HD3 ARG 13 HD3 ARG 13 36.023 19.594 15.987
102 HE ARG 13 HE ARG 13 33.786 20.277 14.462
103 HH11 ARG 13 HH11 ARG 13 36.930 19.003 13.413
104 HH12 ARG 13 HH12 ARG 13 36.133 17.974 12.248
105 HH21 ARG 13 HH21 ARG 13 33.008 19.145 12.887
106 HH22 ARG 13 HH22 ARG 13 34.048 18.126 11.862
107 H SER 14 H SER 14 33.343 20.766 20.251
108 HA SER 14 HA SER 14 36.123 20.915 21.109
109 HB2 SER 14 HB2 SER 14 34.300 22.349 22.035
110 HB3 SER 14 HB3 SER 14 33.586 20.920 22.800
111 HG SER 14 HG SER 14 34.958 21.073 24.342
112 H LEU 15 H LEU 15 33.910 18.327 20.895
113 HA LEU 15 HA LEU 15 35.679 16.519 22.492
114 HB2 LEU 15 HB2 LEU 15 32.895 16.110 21.347
115 HB3 LEU 15 HB3 LEU 15 33.782 14.938 22.312
116 HG LEU 15 HG LEU 15 32.790 17.665 23.269
117 HD11 LEU 15 HD11 LEU 15 31.009 16.014 22.876
118 HD12 LEU 15 HD12 LEU 15 31.856 14.848 23.920
119 HD13 LEU 15 HD13 LEU 15 31.215 16.360 24.602
120 HD21 LEU 15 HD21 LEU 15 33.398 16.843 25.533
121 HD22 LEU 15 HD22 LEU 15 34.183 15.424 24.799
122 HD23 LEU 15 HD23 LEU 15 34.818 17.061 24.508
123 H GLY 16 H GLY 16 35.569 17.741 19.485
124 HA2 GLY 16 HA2 GLY 16 36.814 17.189 17.617
125 HA3 GLY 16 HA3 GLY 16 36.996 15.531 18.183
126 H LEU 17 H LEU 17 33.723 16.684 18.214
127 HA LEU 17 HA LEU 17 33.149 14.813 15.947
128 HB2 LEU 17 HB2 LEU 17 30.904 15.596 17.694
129 HB3 LEU 17 HB3 LEU 17 31.247 14.068 16.917
130 HG LEU 17 HG LEU 17 32.516 15.195 19.369
131 HD11 LEU 17 HD11 LEU 17 30.296 14.670 19.910
132 HD12 LEU 17 HD12 LEU 17 30.403 13.063 19.130
133 HD13 LEU 17 HD13 LEU 17 31.314 13.417 20.618
134 HD21 LEU 17 HD21 LEU 17 34.043 13.537 18.206
135 HD22 LEU 17 HD22 LEU 17 33.475 12.909 19.752
136 HD23 LEU 17 HD23 LEU 17 32.725 12.355 18.240
137 H LEU 18 H LEU 18 30.962 15.207 15.047
138 HA LEU 18 HA LEU 18 30.636 18.016 14.060
139 HB2 LEU 18 HB2 LEU 18 29.836 15.331 12.971
140 HB3 LEU 18 HB3 LEU 18 28.984 16.792 12.450
141 HG LEU 18 HG LEU 18 32.010 16.601 12.323
142 HD11 LEU 18 HD11 LEU 18 31.743 15.948 9.953
143 HD12 LEU 18 HD12 LEU 18 31.104 14.720 11.061
144 HD13 LEU 18 HD13 LEU 18 29.983 15.809 10.204
145 HD21 LEU 18 HD21 LEU 18 30.065 18.190 10.603
146 HD22 LEU 18 HD22 LEU 18 30.855 18.860 12.030
147 HD23 LEU 18 HD23 LEU 18 31.830 18.328 10.650
148 H GLY 19 H GLY 19 28.641 18.982 14.197
149 HA2 GLY 19 HA2 GLY 19 26.722 17.907 16.244
150 HA3 GLY 19 HA3 GLY 19 27.108 19.610 16.038
151 H GLU 20 H GLU 20 24.526 18.169 15.963
152 HA GLU 20 HA GLU 20 23.482 19.324 13.446
153 HB2 GLU 20 HB2 GLU 20 23.866 16.906 13.048
154 HB3 GLU 20 HB3 GLU 20 22.950 16.529 14.501
155 HG2 GLU 20 HG2 GLU 20 21.433 16.124 12.811
156 HG3 GLU 20 HG3 GLU 20 20.939 17.701 13.373
157 H CYS 21 H CYS 21 21.551 20.331 13.678
158 HA CYS 21 HA CYS 21 20.269 20.337 16.385
159 HB2 CYS 21 HB2 CYS 21 21.059 22.524 15.509
160 HB3 CYS 21 HB3 CYS 21 20.017 22.312 14.099
161 H ILE 22 H ILE 22 18.420 19.146 16.575
162 HA ILE 22 HA ILE 22 16.773 18.653 14.110
163 HB ILE 22 HB ILE 22 17.385 16.731 16.365
164 HG12 ILE 22 HG12 ILE 22 19.164 16.789 14.699
165 HG13 ILE 22 HG13 ILE 22 18.280 15.277 14.670
166 HG21 ILE 22 HG21 ILE 22 15.931 15.118 15.093
167 HG22 ILE 22 HG22 ILE 22 15.045 16.433 15.853
168 HG23 ILE 22 HG23 ILE 22 15.357 16.475 14.107
169 HD11 ILE 22 HD11 ILE 22 18.850 15.987 12.404
170 HD12 ILE 22 HD12 ILE 22 17.095 15.948 12.609
171 HD13 ILE 22 HD13 ILE 22 17.961 17.501 12.612
172 H GLY 23 H GLY 23 15.110 19.860 14.221
173 HA2 GLY 23 HA2 GLY 23 13.126 20.791 14.868
174 HA3 GLY 23 HA3 GLY 23 13.043 19.602 16.171
175 H GLU 24 H GLU 24 14.223 20.063 18.107
176 HA GLU 24 HA GLU 24 14.337 22.950 18.883
177 HB2 GLU 24 HB2 GLU 24 13.098 20.752 20.546
178 HB3 GLU 24 HB3 GLU 24 13.010 22.487 20.817
179 HG2 GLU 24 HG2 GLU 24 11.633 20.932 18.588
180 HG3 GLU 24 HG3 GLU 24 10.900 21.512 20.059
181 H GLU 25 H GLU 25 16.251 20.194 18.717
182 HA GLU 25 HA GLU 25 17.871 20.941 21.064
183 HB2 GLU 25 HB2 GLU 25 16.189 19.512 21.993
184 HB3 GLU 25 HB3 GLU 25 16.406 18.301 20.721
185 HG2 GLU 25 HG2 GLU 25 18.621 17.775 21.490
186 HG3 GLU 25 HG3 GLU 25 18.588 19.107 22.655
187 H CYS 26 H CYS 26 19.953 20.625 20.852
188 HA CYS 26 HA CYS 26 21.202 19.676 18.443
189 HB2 CYS 26 HB2 CYS 26 22.102 21.514 19.690
190 HB3 CYS 26 HB3 CYS 26 22.130 20.584 21.174
191 H LYS 27 H LYS 27 22.338 17.892 17.979
192 HA LYS 27 HA LYS 27 23.062 15.840 20.007
193 HB2 LYS 27 HB2 LYS 27 22.476 14.050 18.507
194 HB3 LYS 27 HB3 LYS 27 21.054 15.051 18.812
195 HG2 LYS 27 HG2 LYS 27 21.476 16.231 16.622
196 HG3 LYS 27 HG3 LYS 27 22.805 15.108 16.309
197 HD2 LYS 27 HD2 LYS 27 19.899 14.339 16.674
198 HD3 LYS 27 HD3 LYS 27 20.714 14.577 15.119
199 HE2 LYS 27 HE2 LYS 27 22.379 12.794 15.812
200 HE3 LYS 27 HE3 LYS 27 21.348 12.459 17.208
201 HZ1 LYS 27 HZ1 LYS 27 20.555 12.191 14.350
202 HZ2 LYS 27 HZ2 LYS 27 20.819 10.967 15.397
203 HZ3 LYS 27 HZ3 LYS 27 19.536 11.952 15.650
204 H CYS 28 H CYS 28 25.063 14.711 19.486
205 HA CYS 28 HA CYS 28 26.676 15.930 17.273
206 HB2 CYS 28 HB2 CYS 28 27.709 14.216 19.537
207 HB3 CYS 28 HB3 CYS 28 28.659 15.096 18.348
208 H VAL 29 H VAL 29 27.605 14.628 15.688
209 HA VAL 29 HA VAL 29 26.265 11.977 15.369
210 HB VAL 29 HB VAL 29 26.330 12.424 12.907
211 HG11 VAL 29 HG11 VAL 29 24.660 14.319 14.589
212 HG12 VAL 29 HG12 VAL 29 24.321 13.771 12.931
213 HG13 VAL 29 HG13 VAL 29 24.302 12.602 14.257
214 HG21 VAL 29 HG21 VAL 29 26.917 15.292 13.745
215 HG22 VAL 29 HG22 VAL 29 27.951 14.218 12.765
216 HG23 VAL 29 HG23 VAL 29 26.387 14.765 12.147
217 HA PRO 30 HA PRO 30 30.067 9.953 15.015
218 HB2 PRO 30 HB2 PRO 30 29.437 7.724 13.534
219 HB3 PRO 30 HB3 PRO 30 28.819 8.017 15.192
220 HG2 PRO 30 HG2 PRO 30 27.452 8.610 12.544
221 HG3 PRO 30 HG3 PRO 30 26.790 7.713 13.956
222 HD2 PRO 30 HD2 PRO 30 26.243 10.324 13.608
223 HD3 PRO 30 HD3 PRO 30 26.613 9.694 15.239
224 H TYR 31 H TYR 31 28.885 11.400 12.203
225 HA TYR 31 HA TYR 31 30.456 10.292 10.132
226 HB2 TYR 31 HB2 TYR 31 29.495 13.157 10.343
227 HB3 TYR 31 HB3 TYR 31 29.852 12.271 8.871
228 HD1 TYR 31 HD1 TYR 31 28.412 9.696 9.233
229 HD2 TYR 31 HD2 TYR 31 27.245 13.737 10.199
230 HE1 TYR 31 HE1 TYR 31 26.018 9.066 8.994
231 HE2 TYR 31 HE2 TYR 31 24.848 13.089 10.009
232 HH TYR 31 HH TYR 31 23.845 9.878 8.846
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 11.667 27.433 21.299
2 H2 ALA 1 H2 ALA 1 11.258 26.433 22.529
3 H3 ALA 1 H3 ALA 1 11.312 25.849 20.996
4 HA ALA 1 HA ALA 1 13.609 26.832 22.532
5 HB1 ALA 1 HB1 ALA 1 14.328 24.453 22.592
6 HB2 ALA 1 HB2 ALA 1 12.807 24.732 23.458
7 HB3 ALA 1 HB3 ALA 1 12.784 23.984 21.851
8 H PHE 2 H PHE 2 14.627 28.057 21.003
9 HA PHE 2 HA PHE 2 15.031 27.338 18.280
10 HB2 PHE 2 HB2 PHE 2 16.747 29.091 20.063
11 HB3 PHE 2 HB3 PHE 2 16.791 29.030 18.305
12 HD1 PHE 2 HD1 PHE 2 15.607 30.936 20.970
13 HD2 PHE 2 HD2 PHE 2 14.300 29.344 17.179
14 HE1 PHE 2 HE1 PHE 2 13.823 32.654 20.863
15 HE2 PHE 2 HE2 PHE 2 12.519 31.062 17.076
16 HZ PHE 2 HZ PHE 2 12.263 32.710 18.925
17 H CYS 3 H CYS 3 16.172 25.825 17.453
18 HA CYS 3 HA CYS 3 18.161 24.258 18.980
19 HB2 CYS 3 HB2 CYS 3 16.279 23.259 17.689
20 HB3 CYS 3 HB3 CYS 3 16.979 23.899 16.211
21 H ASN 4 H ASN 4 19.865 25.792 19.142
22 HA ASN 4 HA ASN 4 20.728 27.344 16.877
23 HB2 ASN 4 HB2 ASN 4 21.823 27.062 19.673
24 HB3 ASN 4 HB3 ASN 4 22.462 28.185 18.469
25 HD21 ASN 4 HD21 ASN 4 19.439 29.457 20.601
26 HD22 ASN 4 HD22 ASN 4 20.589 28.214 21.074
27 H LEU 5 H LEU 5 21.185 25.448 15.440
28 HA LEU 5 HA LEU 5 23.116 23.512 15.700
29 HB2 LEU 5 HB2 LEU 5 21.513 23.694 13.864
30 HB3 LEU 5 HB3 LEU 5 22.329 25.134 13.259
31 HG LEU 5 HG LEU 5 24.356 23.801 12.767
32 HD11 LEU 5 HD11 LEU 5 24.195 21.313 12.752
33 HD12 LEU 5 HD12 LEU 5 24.145 21.961 14.391
34 HD13 LEU 5 HD13 LEU 5 22.640 21.419 13.603
35 HD21 LEU 5 HD21 LEU 5 23.412 22.566 10.853
36 HD22 LEU 5 HD22 LEU 5 21.788 22.703 11.560
37 HD23 LEU 5 HD23 LEU 5 22.659 24.159 11.034
38 H ARG 6 H ARG 6 23.731 26.919 14.781
39 HA ARG 6 HA ARG 6 26.493 26.788 14.200
40 HB2 ARG 6 HB2 ARG 6 25.014 28.799 13.916
41 HB3 ARG 6 HB3 ARG 6 24.937 28.974 15.657
42 HG2 ARG 6 HG2 ARG 6 26.481 30.599 14.798
43 HG3 ARG 6 HG3 ARG 6 27.389 29.414 15.725
44 HD2 ARG 6 HD2 ARG 6 28.645 29.939 13.773
45 HD3 ARG 6 HD3 ARG 6 28.037 28.296 13.563
46 HE ARG 6 HE ARG 6 26.109 29.791 12.296
47 HH11 ARG 6 HH11 ARG 6 29.633 29.732 11.824
48 HH12 ARG 6 HH12 ARG 6 29.419 30.410 10.211
49 HH21 ARG 6 HH21 ARG 6 26.055 30.473 10.249
50 HH22 ARG 6 HH22 ARG 6 27.560 30.796 9.377
51 H ARG 7 H ARG 7 24.960 27.185 17.385
52 HA ARG 7 HA ARG 7 27.442 27.265 18.927
53 HB2 ARG 7 HB2 ARG 7 24.556 26.729 19.803
54 HB3 ARG 7 HB3 ARG 7 25.924 26.988 20.882
55 HG2 ARG 7 HG2 ARG 7 26.247 29.257 19.961
56 HG3 ARG 7 HG3 ARG 7 24.861 29.014 18.878
57 HD2 ARG 7 HD2 ARG 7 23.373 28.757 20.836
58 HD3 ARG 7 HD3 ARG 7 24.752 29.018 21.925
59 HE ARG 7 HE ARG 7 24.871 31.215 20.296
60 HH11 ARG 7 HH11 ARG 7 22.169 30.060 22.270
61 HH12 ARG 7 HH12 ARG 7 21.551 31.709 22.384
62 HH21 ARG 7 HH21 ARG 7 23.982 33.083 20.419
63 HH22 ARG 7 HH22 ARG 7 22.434 33.347 21.191
64 H CYS 8 H CYS 8 25.031 24.772 18.151
65 HA CYS 8 HA CYS 8 26.080 22.662 19.722
66 HB2 CYS 8 HB2 CYS 8 24.622 22.496 17.059
67 HB3 CYS 8 HB3 CYS 8 24.763 21.209 18.255
68 H GLU 9 H GLU 9 26.831 23.515 16.275
69 HA GLU 9 HA GLU 9 28.649 21.404 15.734
70 HB2 GLU 9 HB2 GLU 9 28.218 24.213 14.719
71 HB3 GLU 9 HB3 GLU 9 29.649 23.351 14.184
72 HG2 GLU 9 HG2 GLU 9 26.924 22.037 13.941
73 HG3 GLU 9 HG3 GLU 9 27.454 23.245 12.769
74 H LEU 10 H LEU 10 29.390 24.639 17.138
75 HA LEU 10 HA LEU 10 32.221 24.139 17.409
76 HB2 LEU 10 HB2 LEU 10 30.431 26.079 18.937
77 HB3 LEU 10 HB3 LEU 10 32.189 26.154 18.841
78 HG LEU 10 HG LEU 10 30.311 26.426 16.470
79 HD11 LEU 10 HD11 LEU 10 31.815 28.587 17.982
80 HD12 LEU 10 HD12 LEU 10 30.827 28.818 16.524
81 HD13 LEU 10 HD13 LEU 10 30.059 28.300 18.029
82 HD21 LEU 10 HD21 LEU 10 32.280 27.324 15.283
83 HD22 LEU 10 HD22 LEU 10 33.286 27.000 16.710
84 HD23 LEU 10 HD23 LEU 10 32.553 25.657 15.792
85 H SER 11 H SER 11 29.480 23.750 19.636
86 HA SER 11 HA SER 11 30.972 22.933 21.945
87 HB2 SER 11 HB2 SER 11 28.619 23.610 22.063
88 HB3 SER 11 HB3 SER 11 28.148 22.219 21.069
89 HG SER 11 HG SER 11 29.113 22.286 23.731
90 H CYS 12 H CYS 12 29.576 20.973 19.256
91 HA CYS 12 HA CYS 12 30.535 18.464 20.335
92 HB2 CYS 12 HB2 CYS 12 29.576 19.201 17.544
93 HB3 CYS 12 HB3 CYS 12 29.932 17.570 18.129
94 H ARG 13 H ARG 13 31.917 20.795 17.952
95 HA ARG 13 HA ARG 13 34.201 19.244 17.252
96 HB2 ARG 13 HB2 ARG 13 33.470 21.263 16.089
97 HB3 ARG 13 HB3 ARG 13 33.884 22.257 17.483
98 HG2 ARG 13 HG2 ARG 13 36.295 21.569 17.211
99 HG3 ARG 13 HG3 ARG 13 35.817 20.564 15.835
100 HD2 ARG 13 HD2 ARG 13 36.696 22.583 14.943
101 HD3 ARG 13 HD3 ARG 13 34.941 22.636 14.721
102 HE ARG 13 HE ARG 13 35.900 23.888 17.206
103 HH11 ARG 13 HH11 ARG 13 34.731 24.586 13.987
104 HH12 ARG 13 HH12 ARG 13 35.129 26.292 14.119
105 HH21 ARG 13 HH21 ARG 13 36.233 26.054 17.380
106 HH22 ARG 13 HH22 ARG 13 35.727 27.128 16.106
107 H SER 14 H SER 14 33.514 20.968 20.269
108 HA SER 14 HA SER 14 36.240 20.761 21.208
109 HB2 SER 14 HB2 SER 14 35.515 21.403 23.327
110 HB3 SER 14 HB3 SER 14 34.410 22.239 22.230
111 HG SER 14 HG SER 14 32.841 20.638 22.691
112 H LEU 15 H LEU 15 33.697 18.412 21.007
113 HA LEU 15 HA LEU 15 35.264 16.343 22.440
114 HB2 LEU 15 HB2 LEU 15 32.520 16.223 21.143
115 HB3 LEU 15 HB3 LEU 15 33.257 14.960 22.121
116 HG LEU 15 HG LEU 15 32.498 17.736 23.151
117 HD11 LEU 15 HD11 LEU 15 30.634 16.609 24.256
118 HD12 LEU 15 HD12 LEU 15 30.527 16.430 22.491
119 HD13 LEU 15 HD13 LEU 15 31.087 15.072 23.490
120 HD21 LEU 15 HD21 LEU 15 32.788 16.719 25.387
121 HD22 LEU 15 HD22 LEU 15 33.354 15.212 24.635
122 HD23 LEU 15 HD23 LEU 15 34.308 16.705 24.483
123 H GLY 16 H GLY 16 35.614 17.713 19.544
124 HA2 GLY 16 HA2 GLY 16 36.778 17.058 17.667
125 HA3 GLY 16 HA3 GLY 16 36.790 15.389 18.246
126 H LEU 17 H LEU 17 33.648 16.862 18.064
127 HA LEU 17 HA LEU 17 32.998 15.081 15.731
128 HB2 LEU 17 HB2 LEU 17 30.917 15.868 17.713
129 HB3 LEU 17 HB3 LEU 17 31.014 14.431 16.718
130 HG LEU 17 HG LEU 17 32.628 15.085 19.138
131 HD11 LEU 17 HD11 LEU 17 30.447 14.682 19.893
132 HD12 LEU 17 HD12 LEU 17 30.266 13.229 18.855
133 HD13 LEU 17 HD13 LEU 17 31.367 13.227 20.247
134 HD21 LEU 17 HD21 LEU 17 32.391 12.450 17.570
135 HD22 LEU 17 HD22 LEU 17 33.837 13.480 17.599
136 HD23 LEU 17 HD23 LEU 17 33.313 12.652 19.067
137 H LEU 18 H LEU 18 30.739 15.569 14.995
138 HA LEU 18 HA LEU 18 30.445 18.435 14.101
139 HB2 LEU 18 HB2 LEU 18 29.858 15.781 12.836
140 HB3 LEU 18 HB3 LEU 18 28.592 16.986 12.693
141 HG LEU 18 HG LEU 18 30.179 18.599 11.712
142 HD11 LEU 18 HD11 LEU 18 32.315 17.789 12.621
143 HD12 LEU 18 HD12 LEU 18 32.146 16.283 11.687
144 HD13 LEU 18 HD13 LEU 18 32.352 17.832 10.853
145 HD21 LEU 18 HD21 LEU 18 30.372 17.426 9.533
146 HD22 LEU 18 HD22 LEU 18 30.021 15.895 10.351
147 HD23 LEU 18 HD23 LEU 18 28.783 17.158 10.304
148 H GLY 19 H GLY 19 28.317 19.316 14.211
149 HA2 GLY 19 HA2 GLY 19 26.504 18.112 16.287
150 HA3 GLY 19 HA3 GLY 19 26.567 19.819 15.862
151 H GLU 20 H GLU 20 24.401 17.769 15.889
152 HA GLU 20 HA GLU 20 23.187 18.425 13.241
153 HB2 GLU 20 HB2 GLU 20 23.828 16.062 13.213
154 HB3 GLU 20 HB3 GLU 20 23.080 15.816 14.784
155 HG2 GLU 20 HG2 GLU 20 21.540 14.895 13.348
156 HG3 GLU 20 HG3 GLU 20 20.832 16.443 13.686
157 H CYS 21 H CYS 21 21.156 19.239 13.337
158 HA CYS 21 HA CYS 21 19.880 19.605 16.022
159 HB2 CYS 21 HB2 CYS 21 20.203 21.695 14.814
160 HB3 CYS 21 HB3 CYS 21 19.416 21.016 13.379
161 H ILE 22 H ILE 22 18.150 18.358 16.547
162 HA ILE 22 HA ILE 22 16.924 16.580 14.531
163 HB ILE 22 HB ILE 22 16.271 16.985 17.459
164 HG12 ILE 22 HG12 ILE 22 18.549 16.256 17.378
165 HG13 ILE 22 HG13 ILE 22 17.527 14.950 17.935
166 HG21 ILE 22 HG21 ILE 22 14.410 15.943 16.303
167 HG22 ILE 22 HG22 ILE 22 15.501 14.810 15.485
168 HG23 ILE 22 HG23 ILE 22 15.247 14.697 17.239
169 HD11 ILE 22 HD11 ILE 22 17.676 13.870 15.700
170 HD12 ILE 22 HD12 ILE 22 18.712 15.204 15.124
171 HD13 ILE 22 HD13 ILE 22 19.264 14.128 16.424
172 H GLY 23 H GLY 23 15.979 19.419 16.444
173 HA2 GLY 23 HA2 GLY 23 14.601 20.755 14.455
174 HA3 GLY 23 HA3 GLY 23 13.357 19.769 15.235
175 H GLU 24 H GLU 24 14.118 19.836 17.861
176 HA GLU 24 HA GLU 24 14.327 22.670 18.743
177 HB2 GLU 24 HB2 GLU 24 12.531 22.379 20.309
178 HB3 GLU 24 HB3 GLU 24 11.988 22.094 18.668
179 HG2 GLU 24 HG2 GLU 24 12.111 19.618 19.100
180 HG3 GLU 24 HG3 GLU 24 12.552 19.962 20.777
181 H GLU 25 H GLU 25 15.742 19.730 18.864
182 HA GLU 25 HA GLU 25 17.468 20.532 21.131
183 HB2 GLU 25 HB2 GLU 25 16.436 17.718 20.605
184 HB3 GLU 25 HB3 GLU 25 17.749 18.100 21.701
185 HG2 GLU 25 HG2 GLU 25 14.867 19.032 22.043
186 HG3 GLU 25 HG3 GLU 25 15.601 17.652 22.840
187 H CYS 26 H CYS 26 19.697 19.835 20.804
188 HA CYS 26 HA CYS 26 20.304 18.668 18.139
189 HB2 CYS 26 HB2 CYS 26 22.080 20.151 17.805
190 HB3 CYS 26 HB3 CYS 26 20.696 21.129 18.213
191 H LYS 27 H LYS 27 22.093 17.370 17.944
192 HA LYS 27 HA LYS 27 23.477 16.438 20.407
193 HB2 LYS 27 HB2 LYS 27 21.972 14.604 18.483
194 HB3 LYS 27 HB3 LYS 27 23.173 14.072 19.649
195 HG2 LYS 27 HG2 LYS 27 21.421 13.679 20.959
196 HG3 LYS 27 HG3 LYS 27 21.587 15.382 21.379
197 HD2 LYS 27 HD2 LYS 27 19.855 15.876 19.557
198 HD3 LYS 27 HD3 LYS 27 19.638 14.133 19.385
199 HE2 LYS 27 HE2 LYS 27 19.211 15.761 21.931
200 HE3 LYS 27 HE3 LYS 27 17.919 15.201 20.854
201 HZ1 LYS 27 HZ1 LYS 27 18.513 12.906 21.433
202 HZ2 LYS 27 HZ2 LYS 27 19.756 13.406 22.356
203 HZ3 LYS 27 HZ3 LYS 27 18.230 13.781 22.805
204 H CYS 28 H CYS 28 25.410 15.198 19.966
205 HA CYS 28 HA CYS 28 26.786 16.200 17.552
206 HB2 CYS 28 HB2 CYS 28 27.873 14.468 19.789
207 HB3 CYS 28 HB3 CYS 28 28.788 15.353 18.563
208 H VAL 29 H VAL 29 27.937 14.895 16.061
209 HA VAL 29 HA VAL 29 27.042 12.074 15.818
210 HB VAL 29 HB VAL 29 26.738 12.390 13.393
211 HG11 VAL 29 HG11 VAL 29 24.878 14.079 15.094
212 HG12 VAL 29 HG12 VAL 29 24.512 13.350 13.517
213 HG13 VAL 29 HG13 VAL 29 24.821 12.309 14.918
214 HG21 VAL 29 HG21 VAL 29 26.285 14.638 12.481
215 HG22 VAL 29 HG22 VAL 29 26.836 15.370 13.994
216 HG23 VAL 29 HG23 VAL 29 27.973 14.451 12.976
217 HA PRO 30 HA PRO 30 31.275 11.171 15.098
218 HB2 PRO 30 HB2 PRO 30 31.150 8.667 14.057
219 HB3 PRO 30 HB3 PRO 30 30.579 9.021 15.718
220 HG2 PRO 30 HG2 PRO 30 28.912 8.882 13.171
221 HG3 PRO 30 HG3 PRO 30 28.635 8.002 14.707
222 HD2 PRO 30 HD2 PRO 30 27.364 10.324 14.191
223 HD3 PRO 30 HD3 PRO 30 27.984 9.975 15.833
224 H TYR 31 H TYR 31 29.197 11.643 12.458
225 HA TYR 31 HA TYR 31 30.569 10.734 10.210
226 HB2 TYR 31 HB2 TYR 31 28.739 13.134 10.420
227 HB3 TYR 31 HB3 TYR 31 29.063 12.189 8.979
228 HD1 TYR 31 HD1 TYR 31 28.810 9.367 9.918
229 HD2 TYR 31 HD2 TYR 31 26.448 12.857 10.827
230 HE1 TYR 31 HE1 TYR 31 26.875 7.914 10.481
231 HE2 TYR 31 HE2 TYR 31 24.521 11.398 11.402
232 HH TYR 31 HH TYR 31 23.775 9.273 11.676
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 12.351 27.644 20.672
2 H2 ALA 1 H2 ALA 1 11.526 26.310 21.193
3 H3 ALA 1 H3 ALA 1 12.369 26.256 19.778
4 HA ALA 1 HA ALA 1 13.525 26.614 22.442
5 HB1 ALA 1 HB1 ALA 1 14.469 24.355 22.163
6 HB2 ALA 1 HB2 ALA 1 12.699 24.311 22.098
7 HB3 ALA 1 HB3 ALA 1 13.652 24.185 20.603
8 H PHE 2 H PHE 2 15.817 26.740 22.520
9 HA PHE 2 HA PHE 2 16.842 28.353 20.316
10 HB2 PHE 2 HB2 PHE 2 18.042 27.698 23.010
11 HB3 PHE 2 HB3 PHE 2 18.611 28.923 21.874
12 HD1 PHE 2 HD1 PHE 2 16.425 28.307 24.659
13 HD2 PHE 2 HD2 PHE 2 16.969 30.797 21.177
14 HE1 PHE 2 HE1 PHE 2 14.873 29.987 25.618
15 HE2 PHE 2 HE2 PHE 2 15.433 32.487 22.151
16 HZ PHE 2 HZ PHE 2 14.373 32.080 24.370
17 H CYS 3 H CYS 3 16.622 25.839 19.334
18 HA CYS 3 HA CYS 3 19.012 24.233 19.501
19 HB2 CYS 3 HB2 CYS 3 16.621 23.529 19.093
20 HB3 CYS 3 HB3 CYS 3 16.781 24.119 17.442
21 H ASN 4 H ASN 4 20.202 26.519 18.977
22 HA ASN 4 HA ASN 4 20.560 27.179 16.178
23 HB2 ASN 4 HB2 ASN 4 20.925 28.801 18.018
24 HB3 ASN 4 HB3 ASN 4 22.292 27.855 18.588
25 HD21 ASN 4 HD21 ASN 4 22.648 30.176 15.230
26 HD22 ASN 4 HD22 ASN 4 21.085 29.956 16.031
27 H LEU 5 H LEU 5 21.578 26.033 14.716
28 HA LEU 5 HA LEU 5 23.032 23.648 15.264
29 HB2 LEU 5 HB2 LEU 5 21.765 24.051 13.209
30 HB3 LEU 5 HB3 LEU 5 22.817 25.406 12.790
31 HG LEU 5 HG LEU 5 24.728 23.886 12.484
32 HD11 LEU 5 HD11 LEU 5 24.388 21.457 12.411
33 HD12 LEU 5 HD12 LEU 5 24.094 22.053 14.039
34 HD13 LEU 5 HD13 LEU 5 22.712 21.649 12.986
35 HD21 LEU 5 HD21 LEU 5 23.916 22.799 10.439
36 HD22 LEU 5 HD22 LEU 5 22.232 23.037 10.962
37 HD23 LEU 5 HD23 LEU 5 23.255 24.436 10.589
38 H ARG 6 H ARG 6 24.181 27.001 14.692
39 HA ARG 6 HA ARG 6 26.944 26.152 14.376
40 HB2 ARG 6 HB2 ARG 6 26.004 28.251 13.408
41 HB3 ARG 6 HB3 ARG 6 25.878 28.933 15.022
42 HG2 ARG 6 HG2 ARG 6 27.877 29.674 13.700
43 HG3 ARG 6 HG3 ARG 6 28.256 29.026 15.291
44 HD2 ARG 6 HD2 ARG 6 29.836 28.326 13.470
45 HD3 ARG 6 HD3 ARG 6 29.126 27.000 14.377
46 HE ARG 6 HE ARG 6 27.666 27.695 11.922
47 HH11 ARG 6 HH11 ARG 6 30.398 25.794 13.019
48 HH12 ARG 6 HH12 ARG 6 30.173 24.584 11.795
49 HH21 ARG 6 HH21 ARG 6 27.380 26.152 10.484
50 HH22 ARG 6 HH22 ARG 6 28.362 24.693 10.443
51 H ARG 7 H ARG 7 25.112 27.367 17.214
52 HA ARG 7 HA ARG 7 27.350 27.125 19.057
53 HB2 ARG 7 HB2 ARG 7 24.321 27.080 19.426
54 HB3 ARG 7 HB3 ARG 7 25.436 26.791 20.768
55 HG2 ARG 7 HG2 ARG 7 26.598 28.916 20.265
56 HG3 ARG 7 HG3 ARG 7 25.378 29.307 19.043
57 HD2 ARG 7 HD2 ARG 7 23.680 29.603 20.660
58 HD3 ARG 7 HD3 ARG 7 24.534 28.634 21.875
59 HE ARG 7 HE ARG 7 26.214 30.804 21.350
60 HH11 ARG 7 HH11 ARG 7 23.018 30.403 22.781
61 HH12 ARG 7 HH12 ARG 7 23.358 31.584 24.028
62 HH21 ARG 7 HH21 ARG 7 26.415 32.494 22.762
63 HH22 ARG 7 HH22 ARG 7 25.191 32.763 23.978
64 H CYS 8 H CYS 8 24.912 24.764 17.990
65 HA CYS 8 HA CYS 8 25.869 22.623 19.644
66 HB2 CYS 8 HB2 CYS 8 24.268 22.631 17.062
67 HB3 CYS 8 HB3 CYS 8 24.493 21.237 18.120
68 H GLU 9 H GLU 9 26.734 23.546 16.275
69 HA GLU 9 HA GLU 9 28.488 21.402 15.691
70 HB2 GLU 9 HB2 GLU 9 28.250 24.269 14.761
71 HB3 GLU 9 HB3 GLU 9 29.613 23.301 14.231
72 HG2 GLU 9 HG2 GLU 9 26.798 22.230 13.891
73 HG3 GLU 9 HG3 GLU 9 27.459 23.417 12.764
74 H LEU 10 H LEU 10 29.357 24.625 17.124
75 HA LEU 10 HA LEU 10 32.098 23.801 17.464
76 HB2 LEU 10 HB2 LEU 10 32.509 25.887 18.395
77 HB3 LEU 10 HB3 LEU 10 31.317 26.118 17.135
78 HG LEU 10 HG LEU 10 29.631 25.996 19.231
79 HD11 LEU 10 HD11 LEU 10 31.412 25.611 20.939
80 HD12 LEU 10 HD12 LEU 10 32.211 27.103 20.421
81 HD13 LEU 10 HD13 LEU 10 30.615 27.174 21.183
82 HD21 LEU 10 HD21 LEU 10 29.832 27.887 17.671
83 HD22 LEU 10 HD22 LEU 10 29.718 28.456 19.346
84 HD23 LEU 10 HD23 LEU 10 31.291 28.439 18.522
85 H SER 11 H SER 11 29.287 23.646 19.617
86 HA SER 11 HA SER 11 30.542 22.784 22.014
87 HB2 SER 11 HB2 SER 11 28.153 23.368 21.834
88 HB3 SER 11 HB3 SER 11 27.875 21.961 20.801
89 HG SER 11 HG SER 11 28.419 22.107 23.554
90 H CYS 12 H CYS 12 29.688 20.918 19.088
91 HA CYS 12 HA CYS 12 30.695 18.413 20.246
92 HB2 CYS 12 HB2 CYS 12 29.662 19.079 17.482
93 HB3 CYS 12 HB3 CYS 12 30.095 17.469 18.068
94 H ARG 13 H ARG 13 31.897 20.819 17.823
95 HA ARG 13 HA ARG 13 34.228 19.476 16.944
96 HB2 ARG 13 HB2 ARG 13 33.200 21.814 16.339
97 HB3 ARG 13 HB3 ARG 13 34.179 22.437 17.647
98 HG2 ARG 13 HG2 ARG 13 35.097 21.058 15.090
99 HG3 ARG 13 HG3 ARG 13 35.223 22.764 15.469
100 HD2 ARG 13 HD2 ARG 13 36.808 20.503 16.707
101 HD3 ARG 13 HD3 ARG 13 37.389 21.739 15.599
102 HE ARG 13 HE ARG 13 36.270 22.884 18.048
103 HH11 ARG 13 HH11 ARG 13 39.363 21.597 16.811
104 HH12 ARG 13 HH12 ARG 13 40.195 22.505 18.073
105 HH21 ARG 13 HH21 ARG 13 37.478 23.831 19.514
106 HH22 ARG 13 HH22 ARG 13 39.236 23.638 19.501
107 H SER 14 H SER 14 33.632 21.287 19.930
108 HA SER 14 HA SER 14 36.221 21.060 21.011
109 HB2 SER 14 HB2 SER 14 34.332 22.543 21.811
110 HB3 SER 14 HB3 SER 14 33.576 21.109 22.536
111 HG SER 14 HG SER 14 35.961 22.459 23.193
112 H LEU 15 H LEU 15 33.719 18.634 20.913
113 HA LEU 15 HA LEU 15 35.196 16.759 22.681
114 HB2 LEU 15 HB2 LEU 15 32.564 16.402 21.194
115 HB3 LEU 15 HB3 LEU 15 33.210 15.372 22.453
116 HG LEU 15 HG LEU 15 32.280 18.243 22.844
117 HD11 LEU 15 HD11 LEU 15 31.005 15.596 23.657
118 HD12 LEU 15 HD12 LEU 15 30.395 17.224 24.036
119 HD13 LEU 15 HD13 LEU 15 30.448 16.674 22.359
120 HD21 LEU 15 HD21 LEU 15 34.040 17.643 24.462
121 HD22 LEU 15 HD22 LEU 15 32.461 17.753 25.250
122 HD23 LEU 15 HD23 LEU 15 33.164 16.158 24.890
123 H GLY 16 H GLY 16 35.528 17.697 19.565
124 HA2 GLY 16 HA2 GLY 16 36.908 16.817 17.926
125 HA3 GLY 16 HA3 GLY 16 36.779 15.204 18.637
126 H LEU 17 H LEU 17 33.760 16.846 18.078
127 HA LEU 17 HA LEU 17 33.240 14.999 15.754
128 HB2 LEU 17 HB2 LEU 17 30.998 15.658 17.592
129 HB3 LEU 17 HB3 LEU 17 31.289 14.206 16.655
130 HG LEU 17 HG LEU 17 32.659 15.028 19.199
131 HD11 LEU 17 HD11 LEU 17 31.375 13.125 20.229
132 HD12 LEU 17 HD12 LEU 17 30.462 14.565 19.800
133 HD13 LEU 17 HD13 LEU 17 30.382 13.117 18.755
134 HD21 LEU 17 HD21 LEU 17 32.618 12.264 17.879
135 HD22 LEU 17 HD22 LEU 17 33.983 13.372 17.705
136 HD23 LEU 17 HD23 LEU 17 33.570 12.738 19.299
137 H LEU 18 H LEU 18 30.815 15.564 15.070
138 HA LEU 18 HA LEU 18 30.616 18.473 14.332
139 HB2 LEU 18 HB2 LEU 18 29.928 15.931 12.864
140 HB3 LEU 18 HB3 LEU 18 28.868 17.313 12.679
141 HG LEU 18 HG LEU 18 30.773 18.738 11.974
142 HD11 LEU 18 HD11 LEU 18 32.888 17.577 11.248
143 HD12 LEU 18 HD12 LEU 18 32.669 17.631 12.992
144 HD13 LEU 18 HD13 LEU 18 32.329 16.126 12.120
145 HD21 LEU 18 HD21 LEU 18 29.354 17.487 10.339
146 HD22 LEU 18 HD22 LEU 18 30.999 17.825 9.778
147 HD23 LEU 18 HD23 LEU 18 30.573 16.185 10.341
148 H GLY 19 H GLY 19 28.480 19.370 14.383
149 HA2 GLY 19 HA2 GLY 19 26.639 18.099 16.401
150 HA3 GLY 19 HA3 GLY 19 26.875 19.831 16.228
151 H GLU 20 H GLU 20 24.432 18.151 16.093
152 HA GLU 20 HA GLU 20 23.313 19.408 13.656
153 HB2 GLU 20 HB2 GLU 20 23.886 17.187 12.922
154 HB3 GLU 20 HB3 GLU 20 23.239 16.475 14.390
155 HG2 GLU 20 HG2 GLU 20 21.776 15.993 12.585
156 HG3 GLU 20 HG3 GLU 20 20.944 17.042 13.719
157 H CYS 21 H CYS 21 21.217 20.055 13.790
158 HA CYS 21 HA CYS 21 19.876 19.892 16.459
159 HB2 CYS 21 HB2 CYS 21 20.095 22.147 15.594
160 HB3 CYS 21 HB3 CYS 21 19.359 21.662 14.064
161 H ILE 22 H ILE 22 18.358 18.418 16.769
162 HA ILE 22 HA ILE 22 17.348 16.704 14.622
163 HB ILE 22 HB ILE 22 16.608 16.859 17.567
164 HG12 ILE 22 HG12 ILE 22 18.983 16.405 17.436
165 HG13 ILE 22 HG13 ILE 22 18.127 14.959 17.915
166 HG21 ILE 22 HG21 ILE 22 14.889 15.646 16.390
167 HG22 ILE 22 HG22 ILE 22 16.093 14.676 15.519
168 HG23 ILE 22 HG23 ILE 22 15.884 14.487 17.271
169 HD11 ILE 22 HD11 ILE 22 19.928 14.441 16.327
170 HD12 ILE 22 HD12 ILE 22 18.362 14.040 15.605
171 HD13 ILE 22 HD13 ILE 22 19.227 15.520 15.116
172 H GLY 23 H GLY 23 16.172 19.478 16.383
173 HA2 GLY 23 HA2 GLY 23 14.437 20.530 14.578
174 HA3 GLY 23 HA3 GLY 23 13.409 19.359 15.424
175 H GLU 24 H GLU 24 14.322 19.544 18.006
176 HA GLU 24 HA GLU 24 14.236 22.420 18.870
177 HB2 GLU 24 HB2 GLU 24 12.714 20.078 20.078
178 HB3 GLU 24 HB3 GLU 24 12.809 21.702 20.765
179 HG2 GLU 24 HG2 GLU 24 11.599 22.652 18.891
180 HG3 GLU 24 HG3 GLU 24 11.571 21.096 18.051
181 H GLU 25 H GLU 25 15.867 19.399 19.135
182 HA GLU 25 HA GLU 25 17.628 20.570 21.188
183 HB2 GLU 25 HB2 GLU 25 17.941 18.544 22.354
184 HB3 GLU 25 HB3 GLU 25 16.220 18.891 22.375
185 HG2 GLU 25 HG2 GLU 25 15.798 17.161 20.693
186 HG3 GLU 25 HG3 GLU 25 17.528 16.893 20.463
187 H CYS 26 H CYS 26 19.844 19.776 21.059
188 HA CYS 26 HA CYS 26 20.567 18.858 18.317
189 HB2 CYS 26 HB2 CYS 26 22.132 20.396 20.406
190 HB3 CYS 26 HB3 CYS 26 22.817 19.774 18.907
191 H LYS 27 H LYS 27 22.109 17.262 17.971
192 HA LYS 27 HA LYS 27 23.386 15.920 20.299
193 HB2 LYS 27 HB2 LYS 27 22.005 14.563 17.950
194 HB3 LYS 27 HB3 LYS 27 23.101 13.751 19.074
195 HG2 LYS 27 HG2 LYS 27 21.586 14.077 20.939
196 HG3 LYS 27 HG3 LYS 27 20.546 15.148 19.993
197 HD2 LYS 27 HD2 LYS 27 19.528 12.935 20.160
198 HD3 LYS 27 HD3 LYS 27 19.905 13.371 18.502
199 HE2 LYS 27 HE2 LYS 27 20.526 11.114 18.678
200 HE3 LYS 27 HE3 LYS 27 22.037 12.036 18.671
201 HZ1 LYS 27 HZ1 LYS 27 21.823 10.200 20.356
202 HZ2 LYS 27 HZ2 LYS 27 22.253 11.658 21.017
203 HZ3 LYS 27 HZ3 LYS 27 20.709 11.089 21.164
204 H CYS 28 H CYS 28 25.449 15.071 19.839
205 HA CYS 28 HA CYS 28 26.791 16.143 17.445
206 HB2 CYS 28 HB2 CYS 28 27.866 14.252 19.548
207 HB3 CYS 28 HB3 CYS 28 28.801 15.148 18.350
208 H VAL 29 H VAL 29 27.776 14.913 15.829
209 HA VAL 29 HA VAL 29 26.522 12.264 15.283
210 HB VAL 29 HB VAL 29 26.299 13.046 12.889
211 HG11 VAL 29 HG11 VAL 29 24.166 14.137 13.267
212 HG12 VAL 29 HG12 VAL 29 24.393 12.814 14.414
213 HG13 VAL 29 HG13 VAL 29 24.605 14.497 14.955
214 HG21 VAL 29 HG21 VAL 29 27.721 15.054 12.945
215 HG22 VAL 29 HG22 VAL 29 26.067 15.451 12.463
216 HG23 VAL 29 HG23 VAL 29 26.607 15.829 14.099
217 HA PRO 30 HA PRO 30 30.491 10.824 14.301
218 HB2 PRO 30 HB2 PRO 30 29.988 8.701 12.642
219 HB3 PRO 30 HB3 PRO 30 29.533 8.720 14.374
220 HG2 PRO 30 HG2 PRO 30 27.804 9.394 11.966
221 HG3 PRO 30 HG3 PRO 30 27.426 8.282 13.324
222 HD2 PRO 30 HD2 PRO 30 26.532 10.831 13.314
223 HD3 PRO 30 HD3 PRO 30 27.111 10.078 14.831
224 H TYR 31 H TYR 31 28.841 12.436 11.932
225 HA TYR 31 HA TYR 31 30.059 11.807 9.510
226 HB2 TYR 31 HB2 TYR 31 28.938 14.479 10.407
227 HB3 TYR 31 HB3 TYR 31 29.149 13.959 8.744
228 HD1 TYR 31 HD1 TYR 31 28.073 11.029 9.140
229 HD2 TYR 31 HD2 TYR 31 26.596 14.924 10.264
230 HE1 TYR 31 HE1 TYR 31 25.757 10.150 9.150
231 HE2 TYR 31 HE2 TYR 31 24.265 14.037 10.265
232 HH TYR 31 HH TYR 31 22.927 12.146 10.053
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 11.926 26.939 13.421
2 H2 ALA 1 H2 ALA 1 11.301 25.434 13.179
3 H3 ALA 1 H3 ALA 1 12.885 25.756 12.808
4 HA ALA 1 HA ALA 1 11.691 25.786 15.492
5 HB1 ALA 1 HB1 ALA 1 13.077 23.827 15.972
6 HB2 ALA 1 HB2 ALA 1 11.974 23.487 14.627
7 HB3 ALA 1 HB3 ALA 1 13.695 23.812 14.312
8 H PHE 2 H PHE 2 12.956 26.547 17.167
9 HA PHE 2 HA PHE 2 15.250 28.264 16.366
10 HB2 PHE 2 HB2 PHE 2 13.663 28.152 18.933
11 HB3 PHE 2 HB3 PHE 2 14.928 29.313 18.543
12 HD1 PHE 2 HD1 PHE 2 14.574 30.715 16.307
13 HD2 PHE 2 HD2 PHE 2 11.433 28.715 18.463
14 HE1 PHE 2 HE1 PHE 2 12.893 32.180 15.223
15 HE2 PHE 2 HE2 PHE 2 9.745 30.217 17.415
16 HZ PHE 2 HZ PHE 2 10.477 31.944 15.773
17 H CYS 3 H CYS 3 16.092 25.806 16.107
18 HA CYS 3 HA CYS 3 17.644 25.008 18.522
19 HB2 CYS 3 HB2 CYS 3 16.433 23.267 17.366
20 HB3 CYS 3 HB3 CYS 3 17.252 23.608 15.849
21 H ASN 4 H ASN 4 19.571 25.890 18.736
22 HA ASN 4 HA ASN 4 20.637 27.579 16.601
23 HB2 ASN 4 HB2 ASN 4 21.497 27.251 19.500
24 HB3 ASN 4 HB3 ASN 4 22.091 28.475 18.377
25 HD21 ASN 4 HD21 ASN 4 18.445 28.991 20.122
26 HD22 ASN 4 HD22 ASN 4 19.194 27.404 20.182
27 H LEU 5 H LEU 5 21.167 25.581 15.254
28 HA LEU 5 HA LEU 5 23.042 23.659 15.845
29 HB2 LEU 5 HB2 LEU 5 21.602 23.710 13.837
30 HB3 LEU 5 HB3 LEU 5 22.522 25.062 13.196
31 HG LEU 5 HG LEU 5 24.545 23.637 13.069
32 HD11 LEU 5 HD11 LEU 5 24.011 21.929 14.772
33 HD12 LEU 5 HD12 LEU 5 22.613 21.401 13.807
34 HD13 LEU 5 HD13 LEU 5 24.271 21.173 13.196
35 HD21 LEU 5 HD21 LEU 5 23.066 23.939 11.119
36 HD22 LEU 5 HD22 LEU 5 23.822 22.342 11.118
37 HD23 LEU 5 HD23 LEU 5 22.116 22.521 11.605
38 H ARG 6 H ARG 6 23.771 26.898 14.510
39 HA ARG 6 HA ARG 6 26.587 26.474 14.233
40 HB2 ARG 6 HB2 ARG 6 24.995 28.218 13.109
41 HB3 ARG 6 HB3 ARG 6 25.237 29.175 14.561
42 HG2 ARG 6 HG2 ARG 6 26.720 30.051 12.993
43 HG3 ARG 6 HG3 ARG 6 27.770 29.083 14.008
44 HD2 ARG 6 HD2 ARG 6 26.607 28.211 11.321
45 HD3 ARG 6 HD3 ARG 6 28.195 28.932 11.517
46 HE ARG 6 HE ARG 6 27.422 26.174 12.032
47 HH11 ARG 6 HH11 ARG 6 29.890 28.534 12.972
48 HH12 ARG 6 HH12 ARG 6 31.048 27.251 13.278
49 HH21 ARG 6 HH21 ARG 6 28.875 24.721 12.474
50 HH22 ARG 6 HH22 ARG 6 30.554 25.164 12.867
51 H ARG 7 H ARG 7 24.869 26.909 17.095
52 HA ARG 7 HA ARG 7 27.324 27.746 18.627
53 HB2 ARG 7 HB2 ARG 7 24.442 27.366 19.579
54 HB3 ARG 7 HB3 ARG 7 25.817 27.865 20.574
55 HG2 ARG 7 HG2 ARG 7 26.118 29.876 19.131
56 HG3 ARG 7 HG3 ARG 7 24.686 29.409 18.199
57 HD2 ARG 7 HD2 ARG 7 23.297 29.577 20.235
58 HD3 ARG 7 HD3 ARG 7 24.730 30.051 21.172
59 HE ARG 7 HE ARG 7 24.686 31.841 19.057
60 HH11 ARG 7 HH11 ARG 7 22.427 31.116 21.662
61 HH12 ARG 7 HH12 ARG 7 21.710 32.704 21.599
62 HH21 ARG 7 HH21 ARG 7 23.911 33.894 19.230
63 HH22 ARG 7 HH22 ARG 7 22.550 34.234 20.290
64 H CYS 8 H CYS 8 24.947 25.135 18.240
65 HA CYS 8 HA CYS 8 26.077 23.368 20.196
66 HB2 CYS 8 HB2 CYS 8 24.296 22.914 17.775
67 HB3 CYS 8 HB3 CYS 8 24.683 21.672 18.969
68 H GLU 9 H GLU 9 26.716 23.654 16.661
69 HA GLU 9 HA GLU 9 28.353 21.351 16.374
70 HB2 GLU 9 HB2 GLU 9 28.245 24.032 14.949
71 HB3 GLU 9 HB3 GLU 9 29.405 22.777 14.487
72 HG2 GLU 9 HG2 GLU 9 27.608 21.166 14.097
73 HG3 GLU 9 HG3 GLU 9 26.395 22.354 14.553
74 H LEU 10 H LEU 10 29.289 24.598 17.569
75 HA LEU 10 HA LEU 10 32.117 24.134 17.598
76 HB2 LEU 10 HB2 LEU 10 30.535 25.885 19.514
77 HB3 LEU 10 HB3 LEU 10 32.228 26.046 19.063
78 HG LEU 10 HG LEU 10 29.810 26.549 17.276
79 HD11 LEU 10 HD11 LEU 10 31.899 28.442 18.425
80 HD12 LEU 10 HD12 LEU 10 30.554 28.885 17.355
81 HD13 LEU 10 HD13 LEU 10 30.220 28.278 18.983
82 HD21 LEU 10 HD21 LEU 10 31.630 25.703 15.868
83 HD22 LEU 10 HD22 LEU 10 31.448 27.445 15.634
84 HD23 LEU 10 HD23 LEU 10 32.776 26.822 16.633
85 H SER 11 H SER 11 29.582 23.425 19.966
86 HA SER 11 HA SER 11 31.282 22.460 22.091
87 HB2 SER 11 HB2 SER 11 28.879 23.159 22.291
88 HB3 SER 11 HB3 SER 11 28.408 21.670 21.459
89 HG SER 11 HG SER 11 29.051 20.483 23.146
90 H CYS 12 H CYS 12 29.610 20.787 19.363
91 HA CYS 12 HA CYS 12 30.617 18.186 20.047
92 HB2 CYS 12 HB2 CYS 12 29.774 19.190 17.317
93 HB3 CYS 12 HB3 CYS 12 29.911 17.515 17.854
94 H ARG 13 H ARG 13 31.912 20.682 17.693
95 HA ARG 13 HA ARG 13 34.170 19.232 16.842
96 HB2 ARG 13 HB2 ARG 13 33.443 22.171 17.176
97 HB3 ARG 13 HB3 ARG 13 34.972 21.678 16.486
98 HG2 ARG 13 HG2 ARG 13 32.365 20.581 15.367
99 HG3 ARG 13 HG3 ARG 13 32.959 22.164 14.880
100 HD2 ARG 13 HD2 ARG 13 34.681 19.656 14.684
101 HD3 ARG 13 HD3 ARG 13 33.586 20.177 13.392
102 HE ARG 13 HE ARG 13 34.953 22.460 13.866
103 HH11 ARG 13 HH11 ARG 13 36.146 19.211 13.115
104 HH12 ARG 13 HH12 ARG 13 37.415 19.878 12.103
105 HH21 ARG 13 HH21 ARG 13 36.742 23.150 12.586
106 HH22 ARG 13 HH22 ARG 13 37.693 21.895 11.811
107 H SER 14 H SER 14 33.587 20.872 19.889
108 HA SER 14 HA SER 14 36.390 20.767 20.714
109 HB2 SER 14 HB2 SER 14 33.897 21.204 22.413
110 HB3 SER 14 HB3 SER 14 35.572 21.530 22.885
111 HG SER 14 HG SER 14 34.139 22.762 20.730
112 H LEU 15 H LEU 15 33.670 18.553 20.894
113 HA LEU 15 HA LEU 15 35.123 16.593 22.561
114 HB2 LEU 15 HB2 LEU 15 32.492 16.549 21.050
115 HB3 LEU 15 HB3 LEU 15 33.109 15.164 21.940
116 HG LEU 15 HG LEU 15 32.494 17.862 23.221
117 HD11 LEU 15 HD11 LEU 15 30.434 16.755 24.026
118 HD12 LEU 15 HD12 LEU 15 30.467 16.852 22.248
119 HD13 LEU 15 HD13 LEU 15 30.822 15.316 23.066
120 HD21 LEU 15 HD21 LEU 15 32.975 15.071 24.384
121 HD22 LEU 15 HD22 LEU 15 34.056 16.475 24.547
122 HD23 LEU 15 HD23 LEU 15 32.467 16.496 25.310
123 H GLY 16 H GLY 16 35.423 17.590 19.373
124 HA2 GLY 16 HA2 GLY 16 36.723 16.700 17.671
125 HA3 GLY 16 HA3 GLY 16 36.814 15.144 18.502
126 H LEU 17 H LEU 17 33.732 16.750 17.861
127 HA LEU 17 HA LEU 17 33.022 14.720 15.783
128 HB2 LEU 17 HB2 LEU 17 30.805 15.582 17.524
129 HB3 LEU 17 HB3 LEU 17 31.162 14.001 16.870
130 HG LEU 17 HG LEU 17 32.484 15.248 19.246
131 HD11 LEU 17 HD11 LEU 17 30.090 13.411 19.170
132 HD12 LEU 17 HD12 LEU 17 31.078 13.678 20.628
133 HD13 LEU 17 HD13 LEU 17 30.257 15.037 19.895
134 HD21 LEU 17 HD21 LEU 17 33.751 13.293 18.228
135 HD22 LEU 17 HD22 LEU 17 33.165 12.918 19.840
136 HD23 LEU 17 HD23 LEU 17 32.298 12.309 18.400
137 H LEU 18 H LEU 18 30.692 15.323 15.034
138 HA LEU 18 HA LEU 18 30.584 18.204 14.201
139 HB2 LEU 18 HB2 LEU 18 29.848 15.637 12.814
140 HB3 LEU 18 HB3 LEU 18 28.767 16.995 12.576
141 HG LEU 18 HG LEU 18 30.378 16.822 10.778
142 HD11 LEU 18 HD11 LEU 18 30.994 19.310 12.413
143 HD12 LEU 18 HD12 LEU 18 31.110 19.110 10.664
144 HD13 LEU 18 HD13 LEU 18 29.518 19.062 11.439
145 HD21 LEU 18 HD21 LEU 18 32.292 15.849 11.980
146 HD22 LEU 18 HD22 LEU 18 32.750 17.276 11.046
147 HD23 LEU 18 HD23 LEU 18 32.575 17.404 12.801
148 H GLY 19 H GLY 19 28.376 19.109 14.076
149 HA2 GLY 19 HA2 GLY 19 26.619 18.073 16.288
150 HA3 GLY 19 HA3 GLY 19 26.822 19.777 15.915
151 H GLU 20 H GLU 20 24.386 18.289 16.095
152 HA GLU 20 HA GLU 20 23.198 18.898 13.440
153 HB2 GLU 20 HB2 GLU 20 23.863 16.581 13.245
154 HB3 GLU 20 HB3 GLU 20 23.243 16.210 14.842
155 HG2 GLU 20 HG2 GLU 20 21.757 15.259 13.298
156 HG3 GLU 20 HG3 GLU 20 20.910 16.620 14.009
157 H CYS 21 H CYS 21 21.025 19.425 13.511
158 HA CYS 21 HA CYS 21 19.684 19.589 16.195
159 HB2 CYS 21 HB2 CYS 21 19.524 21.288 13.707
160 HB3 CYS 21 HB3 CYS 21 18.144 21.177 14.786
161 H ILE 22 H ILE 22 18.205 18.073 16.533
162 HA ILE 22 HA ILE 22 16.512 17.103 14.266
163 HB ILE 22 HB ILE 22 17.398 15.503 16.683
164 HG12 ILE 22 HG12 ILE 22 19.185 15.574 15.047
165 HG13 ILE 22 HG13 ILE 22 18.485 13.973 15.155
166 HG21 ILE 22 HG21 ILE 22 15.094 14.958 16.159
167 HG22 ILE 22 HG22 ILE 22 15.466 14.778 14.435
168 HG23 ILE 22 HG23 ILE 22 16.123 13.634 15.627
169 HD11 ILE 22 HD11 ILE 22 19.024 14.550 12.837
170 HD12 ILE 22 HD12 ILE 22 17.280 14.308 13.022
171 HD13 ILE 22 HD13 ILE 22 17.947 15.952 12.898
172 H GLY 23 H GLY 23 14.484 17.657 14.429
173 HA2 GLY 23 HA2 GLY 23 12.597 18.713 15.249
174 HA3 GLY 23 HA3 GLY 23 13.001 18.113 16.858
175 H GLU 24 H GLU 24 13.563 19.577 18.278
176 HA GLU 24 HA GLU 24 14.750 22.169 17.431
177 HB2 GLU 24 HB2 GLU 24 13.396 23.372 19.005
178 HB3 GLU 24 HB3 GLU 24 12.452 22.508 17.793
179 HG2 GLU 24 HG2 GLU 24 12.023 20.702 19.535
180 HG3 GLU 24 HG3 GLU 24 12.793 21.759 20.724
181 H GLU 25 H GLU 25 15.916 19.615 18.735
182 HA GLU 25 HA GLU 25 17.549 21.092 20.730
183 HB2 GLU 25 HB2 GLU 25 16.371 18.339 21.214
184 HB3 GLU 25 HB3 GLU 25 17.572 19.121 22.231
185 HG2 GLU 25 HG2 GLU 25 14.715 20.080 21.772
186 HG3 GLU 25 HG3 GLU 25 15.311 19.235 23.187
187 H CYS 26 H CYS 26 19.659 20.551 20.870
188 HA CYS 26 HA CYS 26 20.772 19.509 18.414
189 HB2 CYS 26 HB2 CYS 26 22.014 20.641 20.945
190 HB3 CYS 26 HB3 CYS 26 22.913 20.233 19.487
191 H LYS 27 H LYS 27 22.201 17.876 18.082
192 HA LYS 27 HA LYS 27 23.106 16.080 20.272
193 HB2 LYS 27 HB2 LYS 27 22.649 14.133 19.035
194 HB3 LYS 27 HB3 LYS 27 21.150 15.055 19.101
195 HG2 LYS 27 HG2 LYS 27 21.644 15.905 16.770
196 HG3 LYS 27 HG3 LYS 27 23.068 14.854 16.726
197 HD2 LYS 27 HD2 LYS 27 20.195 13.956 17.065
198 HD3 LYS 27 HD3 LYS 27 21.148 13.855 15.561
199 HE2 LYS 27 HE2 LYS 27 22.778 12.350 16.767
200 HE3 LYS 27 HE3 LYS 27 21.736 12.451 18.191
201 HZ1 LYS 27 HZ1 LYS 27 21.124 11.090 15.642
202 HZ2 LYS 27 HZ2 LYS 27 21.063 10.503 17.160
203 HZ3 LYS 27 HZ3 LYS 27 19.917 11.548 16.691
204 H CYS 28 H CYS 28 25.008 14.711 19.457
205 HA CYS 28 HA CYS 28 26.594 16.121 17.335
206 HB2 CYS 28 HB2 CYS 28 27.699 14.698 19.767
207 HB3 CYS 28 HB3 CYS 28 28.629 15.489 18.492
208 H VAL 29 H VAL 29 27.947 14.818 16.022
209 HA VAL 29 HA VAL 29 27.165 11.956 15.872
210 HB VAL 29 HB VAL 29 26.910 12.183 13.421
211 HG11 VAL 29 HG11 VAL 29 24.923 13.815 15.041
212 HG12 VAL 29 HG12 VAL 29 24.634 12.988 13.495
213 HG13 VAL 29 HG13 VAL 29 24.985 12.040 14.947
214 HG21 VAL 29 HG21 VAL 29 26.336 14.393 12.464
215 HG22 VAL 29 HG22 VAL 29 26.836 15.188 13.964
216 HG23 VAL 29 HG23 VAL 29 28.019 14.303 12.969
217 HA PRO 30 HA PRO 30 31.419 11.201 15.221
218 HB2 PRO 30 HB2 PRO 30 31.392 8.614 14.376
219 HB3 PRO 30 HB3 PRO 30 30.834 9.091 16.018
220 HG2 PRO 30 HG2 PRO 30 29.156 8.613 13.520
221 HG3 PRO 30 HG3 PRO 30 28.912 7.931 15.160
222 HD2 PRO 30 HD2 PRO 30 27.571 10.129 14.331
223 HD3 PRO 30 HD3 PRO 30 28.144 9.970 16.014
224 H TYR 31 H TYR 31 29.452 11.522 12.506
225 HA TYR 31 HA TYR 31 30.745 10.293 10.407
226 HB2 TYR 31 HB2 TYR 31 29.376 12.983 10.185
227 HB3 TYR 31 HB3 TYR 31 29.462 11.715 8.962
228 HD1 TYR 31 HD1 TYR 31 27.030 13.242 10.250
229 HD2 TYR 31 HD2 TYR 31 28.720 9.321 10.807
230 HE1 TYR 31 HE1 TYR 31 24.844 12.405 11.076
231 HE2 TYR 31 HE2 TYR 31 26.545 8.502 11.658
232 HH TYR 31 HH TYR 31 24.388 9.031 12.143