Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
637422 | 6d8y RC | 30465 | 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 11.832 16.436 22.640
2 H2 ALA 1 H2 ALA 1 12.220 17.442 23.866
3 H3 ALA 1 H3 ALA 1 12.823 15.902 23.843
4 HA ALA 1 HA ALA 1 13.394 17.846 21.721
5 HB1 ALA 1 HB1 ALA 1 15.598 18.215 22.696
6 HB2 ALA 1 HB2 ALA 1 14.356 18.669 23.882
7 HB3 ALA 1 HB3 ALA 1 15.231 17.121 24.037
8 H PHE 2 H PHE 2 14.760 16.987 20.087
9 HA PHE 2 HA PHE 2 15.828 14.245 20.448
10 HB2 PHE 2 HB2 PHE 2 14.284 14.882 17.933
11 HB3 PHE 2 HB3 PHE 2 14.797 13.323 18.536
12 HD1 PHE 2 HD1 PHE 2 13.615 12.549 20.827
13 HD2 PHE 2 HD2 PHE 2 12.060 15.486 18.078
14 HE1 PHE 2 HE1 PHE 2 11.330 12.215 21.752
15 HE2 PHE 2 HE2 PHE 2 9.781 15.154 19.005
16 HZ PHE 2 HZ PHE 2 9.419 13.535 20.854
17 H CYS 3 H CYS 3 17.482 13.684 18.959
18 HA CYS 3 HA CYS 3 18.844 15.858 17.517
19 HB2 CYS 3 HB2 CYS 3 19.352 12.876 17.908
20 HB3 CYS 3 HB3 CYS 3 20.291 13.878 16.822
21 H ASN 4 H ASN 4 16.705 16.255 16.248
22 HA ASN 4 HA ASN 4 15.835 14.180 14.495
23 HB2 ASN 4 HB2 ASN 4 14.702 16.496 15.587
24 HB3 ASN 4 HB3 ASN 4 14.927 16.971 13.936
25 HD21 ASN 4 HD21 ASN 4 12.821 14.118 12.809
26 HD22 ASN 4 HD22 ASN 4 14.455 14.683 12.490
27 H LEU 5 H LEU 5 18.392 15.675 14.147
28 HA LEU 5 HA LEU 5 19.947 16.481 12.691
29 HB2 LEU 5 HB2 LEU 5 20.144 14.046 13.083
30 HB3 LEU 5 HB3 LEU 5 19.257 13.751 11.593
31 HG LEU 5 HG LEU 5 21.069 15.011 10.339
32 HD11 LEU 5 HD11 LEU 5 22.483 14.903 13.043
33 HD12 LEU 5 HD12 LEU 5 23.271 15.250 11.496
34 HD13 LEU 5 HD13 LEU 5 22.065 16.371 12.118
35 HD21 LEU 5 HD21 LEU 5 21.995 12.623 11.986
36 HD22 LEU 5 HD22 LEU 5 21.013 12.543 10.507
37 HD23 LEU 5 HD23 LEU 5 22.665 13.165 10.430
38 H ARG 6 H ARG 6 17.639 14.927 10.684
39 HA ARG 6 HA ARG 6 18.087 16.434 8.200
40 HB2 ARG 6 HB2 ARG 6 15.718 14.797 9.146
41 HB3 ARG 6 HB3 ARG 6 15.907 15.439 7.509
42 HG2 ARG 6 HG2 ARG 6 17.879 14.098 7.100
43 HG3 ARG 6 HG3 ARG 6 17.909 13.503 8.763
44 HD2 ARG 6 HD2 ARG 6 15.722 12.945 6.723
45 HD3 ARG 6 HD3 ARG 6 16.968 11.823 7.255
46 HE ARG 6 HE ARG 6 16.020 11.752 9.458
47 HH11 ARG 6 HH11 ARG 6 13.753 13.242 7.144
48 HH12 ARG 6 HH12 ARG 6 12.423 12.845 8.220
49 HH21 ARG 6 HH21 ARG 6 14.407 11.892 10.844
50 HH22 ARG 6 HH22 ARG 6 12.805 12.384 10.352
51 H ARG 7 H ARG 7 15.618 16.596 10.795
52 HA ARG 7 HA ARG 7 14.572 19.197 9.804
53 HB2 ARG 7 HB2 ARG 7 13.811 17.377 12.113
54 HB3 ARG 7 HB3 ARG 7 13.211 19.018 11.983
55 HG2 ARG 7 HG2 ARG 7 11.528 17.704 11.084
56 HG3 ARG 7 HG3 ARG 7 12.312 18.435 9.679
57 HD2 ARG 7 HD2 ARG 7 13.454 16.335 9.166
58 HD3 ARG 7 HD3 ARG 7 12.920 15.630 10.692
59 HE ARG 7 HE ARG 7 10.676 15.525 9.926
60 HH11 ARG 7 HH11 ARG 7 12.770 16.657 7.298
61 HH12 ARG 7 HH12 ARG 7 11.711 16.022 6.079
62 HH21 ARG 7 HH21 ARG 7 9.354 14.825 8.310
63 HH22 ARG 7 HH22 ARG 7 9.775 15.109 6.638
64 H CYS 8 H CYS 8 16.808 18.036 12.287
65 HA CYS 8 HA CYS 8 17.022 20.372 13.851
66 HB2 CYS 8 HB2 CYS 8 18.088 18.324 14.505
67 HB3 CYS 8 HB3 CYS 8 19.072 18.327 13.044
68 H GLU 9 H GLU 9 18.917 19.442 10.902
69 HA GLU 9 HA GLU 9 20.498 21.734 10.512
70 HB2 GLU 9 HB2 GLU 9 19.188 19.804 8.564
71 HB3 GLU 9 HB3 GLU 9 20.359 21.003 8.055
72 HG2 GLU 9 HG2 GLU 9 21.209 19.204 10.310
73 HG3 GLU 9 HG3 GLU 9 20.966 18.445 8.741
74 H LEU 10 H LEU 10 17.182 21.131 9.249
75 HA LEU 10 HA LEU 10 16.999 23.644 7.855
76 HB2 LEU 10 HB2 LEU 10 14.752 21.877 8.881
77 HB3 LEU 10 HB3 LEU 10 14.609 23.176 7.693
78 HG LEU 10 HG LEU 10 16.126 20.571 7.376
79 HD11 LEU 10 HD11 LEU 10 13.690 21.712 5.934
80 HD12 LEU 10 HD12 LEU 10 14.456 20.142 5.605
81 HD13 LEU 10 HD13 LEU 10 13.660 20.427 7.160
82 HD21 LEU 10 HD21 LEU 10 15.899 22.918 5.437
83 HD22 LEU 10 HD22 LEU 10 17.393 22.262 6.146
84 HD23 LEU 10 HD23 LEU 10 16.479 21.294 4.992
85 H SER 11 H SER 11 16.230 22.751 11.184
86 HA SER 11 HA SER 11 14.970 25.261 11.888
87 HB2 SER 11 HB2 SER 11 14.840 23.155 13.251
88 HB3 SER 11 HB3 SER 11 16.530 23.417 13.726
89 HG SER 11 HG SER 11 14.225 24.964 14.274
90 H CYS 12 H CYS 12 18.371 24.091 12.141
91 HA CYS 12 HA CYS 12 19.501 26.477 13.150
92 HB2 CYS 12 HB2 CYS 12 20.640 24.156 11.563
93 HB3 CYS 12 HB3 CYS 12 21.632 25.461 12.192
94 H ARG 13 H ARG 13 18.681 25.790 9.743
95 HA ARG 13 HA ARG 13 20.233 27.880 8.561
96 HB2 ARG 13 HB2 ARG 13 17.439 27.089 7.748
97 HB3 ARG 13 HB3 ARG 13 18.646 27.888 6.760
98 HG2 ARG 13 HG2 ARG 13 18.600 25.030 7.669
99 HG3 ARG 13 HG3 ARG 13 18.484 25.658 6.034
100 HD2 ARG 13 HD2 ARG 13 20.864 26.447 6.234
101 HD3 ARG 13 HD3 ARG 13 20.936 25.670 7.819
102 HE ARG 13 HE ARG 13 20.324 24.193 5.271
103 HH11 ARG 13 HH11 ARG 13 22.134 24.236 8.312
104 HH12 ARG 13 HH12 ARG 13 22.623 22.568 8.069
105 HH21 ARG 13 HH21 ARG 13 21.096 22.168 5.059
106 HH22 ARG 13 HH22 ARG 13 22.424 21.635 6.075
107 H SER 14 H SER 14 17.528 28.210 10.737
108 HA SER 14 HA SER 14 16.596 30.808 10.123
109 HB2 SER 14 HB2 SER 14 16.218 31.059 12.556
110 HB3 SER 14 HB3 SER 14 15.596 29.545 11.916
111 HG SER 14 HG SER 14 17.103 28.428 12.913
112 H LEU 15 H LEU 15 19.701 29.874 11.661
113 HA LEU 15 HA LEU 15 20.582 32.726 11.437
114 HB2 LEU 15 HB2 LEU 15 21.551 30.517 13.268
115 HB3 LEU 15 HB3 LEU 15 22.238 32.140 13.193
116 HG LEU 15 HG LEU 15 19.384 31.458 14.033
117 HD11 LEU 15 HD11 LEU 15 21.800 32.306 15.687
118 HD12 LEU 15 HD12 LEU 15 20.148 32.054 16.294
119 HD13 LEU 15 HD13 LEU 15 21.067 30.684 15.654
120 HD21 LEU 15 HD21 LEU 15 19.479 33.730 13.102
121 HD22 LEU 15 HD22 LEU 15 19.324 33.808 14.856
122 HD23 LEU 15 HD23 LEU 15 20.905 34.105 14.099
123 H GLY 16 H GLY 16 20.578 30.239 9.506
124 HA2 GLY 16 HA2 GLY 16 21.829 29.723 7.648
125 HA3 GLY 16 HA3 GLY 16 23.007 30.955 8.102
126 H LEU 17 H LEU 17 22.192 28.363 10.358
127 HA LEU 17 HA LEU 17 25.028 27.527 10.278
128 HB2 LEU 17 HB2 LEU 17 22.978 26.901 12.382
129 HB3 LEU 17 HB3 LEU 17 24.703 26.739 12.538
130 HG LEU 17 HG LEU 17 23.267 29.373 12.188
131 HD11 LEU 17 HD11 LEU 17 22.525 28.368 14.294
132 HD12 LEU 17 HD12 LEU 17 24.234 28.188 14.794
133 HD13 LEU 17 HD13 LEU 17 23.537 29.794 14.560
134 HD21 LEU 17 HD21 LEU 17 26.004 28.667 13.277
135 HD22 LEU 17 HD22 LEU 17 25.720 29.317 11.640
136 HD23 LEU 17 HD23 LEU 17 25.367 30.322 13.060
137 H LEU 18 H LEU 18 25.592 25.414 10.744
138 HA LEU 18 HA LEU 18 24.039 23.216 9.510
139 HB2 LEU 18 HB2 LEU 18 26.758 23.419 10.827
140 HB3 LEU 18 HB3 LEU 18 26.066 21.870 10.348
141 HG LEU 18 HG LEU 18 26.443 24.155 8.381
142 HD11 LEU 18 HD11 LEU 18 28.540 23.035 7.689
143 HD12 LEU 18 HD12 LEU 18 28.629 23.646 9.346
144 HD13 LEU 18 HD13 LEU 18 28.383 21.908 9.059
145 HD21 LEU 18 HD21 LEU 18 24.939 22.341 7.632
146 HD22 LEU 18 HD22 LEU 18 26.451 22.315 6.718
147 HD23 LEU 18 HD23 LEU 18 26.184 21.140 8.024
148 H GLY 19 H GLY 19 23.137 21.558 10.643
149 HA2 GLY 19 HA2 GLY 19 22.712 21.954 13.602
150 HA3 GLY 19 HA3 GLY 19 21.528 21.243 12.509
151 H LYS 20 H LYS 20 23.388 20.410 14.960
152 HA LYS 20 HA LYS 20 24.099 17.691 13.967
153 HB2 LYS 20 HB2 LYS 20 25.867 19.576 15.521
154 HB3 LYS 20 HB3 LYS 20 26.191 17.858 15.238
155 HG2 LYS 20 HG2 LYS 20 26.013 18.301 12.733
156 HG3 LYS 20 HG3 LYS 20 25.879 20.026 13.111
157 HD2 LYS 20 HD2 LYS 20 28.122 19.743 12.635
158 HD3 LYS 20 HD3 LYS 20 28.002 19.833 14.397
159 HE2 LYS 20 HE2 LYS 20 29.577 18.115 13.925
160 HE3 LYS 20 HE3 LYS 20 28.112 17.297 14.467
161 HZ1 LYS 20 HZ1 LYS 20 28.936 17.649 11.628
162 HZ2 LYS 20 HZ2 LYS 20 29.131 16.277 12.506
163 HZ3 LYS 20 HZ3 LYS 20 27.615 16.790 12.129
164 H CYS 21 H CYS 21 24.371 16.106 15.589
165 HA CYS 21 HA CYS 21 22.549 16.406 17.912
166 HB2 CYS 21 HB2 CYS 21 22.404 14.425 16.408
167 HB3 CYS 21 HB3 CYS 21 24.052 13.995 16.840
168 H ILE 22 H ILE 22 23.170 16.538 19.984
169 HA ILE 22 HA ILE 22 25.947 15.835 20.772
170 HB ILE 22 HB ILE 22 26.045 17.841 22.213
171 HG12 ILE 22 HG12 ILE 22 23.799 19.103 20.605
172 HG13 ILE 22 HG13 ILE 22 23.422 18.183 22.052
173 HG21 ILE 22 HG21 ILE 22 25.760 18.550 19.270
174 HG22 ILE 22 HG22 ILE 22 26.702 19.417 20.493
175 HG23 ILE 22 HG23 ILE 22 27.173 17.780 20.018
176 HD11 ILE 22 HD11 ILE 22 24.945 19.621 23.393
177 HD12 ILE 22 HD12 ILE 22 25.242 20.606 21.943
178 HD13 ILE 22 HD13 ILE 22 23.615 20.517 22.644
179 H GLY 23 H GLY 23 24.144 14.027 21.137
180 HA2 GLY 23 HA2 GLY 23 23.400 12.563 22.768
181 HA3 GLY 23 HA3 GLY 23 23.914 13.695 24.020
182 H GLU 24 H GLU 24 21.381 12.770 21.866
183 HA GLU 24 HA GLU 24 19.122 12.860 21.889
184 HB2 GLU 24 HB2 GLU 24 19.429 13.655 24.807
185 HB3 GLU 24 HB3 GLU 24 17.920 13.247 24.014
186 HG2 GLU 24 HG2 GLU 24 18.493 11.258 25.018
187 HG3 GLU 24 HG3 GLU 24 18.959 11.024 23.344
188 H GLU 25 H GLU 25 20.756 15.756 22.090
189 HA GLU 25 HA GLU 25 18.301 17.271 21.328
190 HB2 GLU 25 HB2 GLU 25 18.649 17.893 23.547
191 HB3 GLU 25 HB3 GLU 25 20.403 17.939 23.378
192 HG2 GLU 25 HG2 GLU 25 20.336 20.002 22.164
193 HG3 GLU 25 HG3 GLU 25 18.582 19.918 21.989
194 H CYS 26 H CYS 26 18.465 18.741 19.793
195 HA CYS 26 HA CYS 26 20.761 18.700 17.942
196 HB2 CYS 26 HB2 CYS 26 18.585 18.631 17.007
197 HB3 CYS 26 HB3 CYS 26 17.989 19.897 18.033
198 H LYS 27 H LYS 27 22.311 20.242 17.812
199 HA LYS 27 HA LYS 27 21.737 22.990 18.751
200 HB2 LYS 27 HB2 LYS 27 22.900 21.622 20.634
201 HB3 LYS 27 HB3 LYS 27 24.324 21.662 19.609
202 HG2 LYS 27 HG2 LYS 27 24.684 23.541 20.939
203 HG3 LYS 27 HG3 LYS 27 23.902 24.276 19.561
204 HD2 LYS 27 HD2 LYS 27 22.840 25.244 21.412
205 HD3 LYS 27 HD3 LYS 27 21.685 23.992 20.915
206 HE2 LYS 27 HE2 LYS 27 22.536 22.483 22.673
207 HE3 LYS 27 HE3 LYS 27 23.804 23.642 23.081
208 HZ1 LYS 27 HZ1 LYS 27 20.890 24.038 23.484
209 HZ2 LYS 27 HZ2 LYS 27 22.051 23.888 24.642
210 HZ3 LYS 27 HZ3 LYS 27 21.996 25.226 23.700
211 H CYS 28 H CYS 28 22.574 24.518 17.507
212 HA CYS 28 HA CYS 28 23.703 23.747 14.965
213 HB2 CYS 28 HB2 CYS 28 23.248 26.506 16.113
214 HB3 CYS 28 HB3 CYS 28 23.438 26.101 14.414
215 H VAL 29 H VAL 29 25.549 25.078 13.973
216 HA VAL 29 HA VAL 29 27.736 25.625 15.897
217 HB VAL 29 HB VAL 29 29.334 24.235 14.769
218 HG11 VAL 29 HG11 VAL 29 28.620 22.052 15.491
219 HG12 VAL 29 HG12 VAL 29 28.093 23.274 16.662
220 HG13 VAL 29 HG13 VAL 29 26.927 22.556 15.522
221 HG21 VAL 29 HG21 VAL 29 28.401 24.134 12.480
222 HG22 VAL 29 HG22 VAL 29 28.718 22.526 13.125
223 HG23 VAL 29 HG23 VAL 29 27.051 23.139 13.090
224 HA PRO 30 HA PRO 30 28.337 29.046 13.304
225 HB2 PRO 30 HB2 PRO 30 30.829 29.944 14.025
226 HB3 PRO 30 HB3 PRO 30 29.412 29.930 15.108
227 HG2 PRO 30 HG2 PRO 30 31.627 27.869 14.909
228 HG3 PRO 30 HG3 PRO 30 31.001 28.673 16.383
229 HD2 PRO 30 HD2 PRO 30 30.147 26.212 15.615
230 HD3 PRO 30 HD3 PRO 30 29.026 27.394 16.354
231 H HIS 31 H HIS 31 30.207 26.347 12.548
232 HA HIS 31 HA HIS 31 32.166 27.055 10.840
233 HB2 HIS 31 HB2 HIS 31 30.282 24.669 10.755
234 HB3 HIS 31 HB3 HIS 31 31.856 24.739 9.962
235 HD2 HIS 31 HD2 HIS 31 33.792 23.890 11.305
236 HE1 HIS 31 HE1 HIS 31 32.298 24.203 15.269
237 HE2 HIS 31 HE2 HIS 31 34.248 23.347 13.847
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 15.363 19.458 22.846
2 H2 ALA 1 H2 ALA 1 14.681 20.802 22.161
3 H3 ALA 1 H3 ALA 1 16.246 20.419 21.852
4 HA ALA 1 HA ALA 1 13.904 18.845 21.028
5 HB1 ALA 1 HB1 ALA 1 15.864 20.496 19.381
6 HB2 ALA 1 HB2 ALA 1 14.568 19.471 18.729
7 HB3 ALA 1 HB3 ALA 1 14.158 20.893 19.705
8 H PHE 2 H PHE 2 14.318 16.880 19.992
9 HA PHE 2 HA PHE 2 16.575 15.424 21.049
10 HB2 PHE 2 HB2 PHE 2 14.484 14.606 19.012
11 HB3 PHE 2 HB3 PHE 2 15.527 13.527 19.919
12 HD1 PHE 2 HD1 PHE 2 12.291 14.909 19.832
13 HD2 PHE 2 HD2 PHE 2 15.424 13.776 22.573
14 HE1 PHE 2 HE1 PHE 2 10.625 14.710 21.656
15 HE2 PHE 2 HE2 PHE 2 13.748 13.603 24.401
16 HZ PHE 2 HZ PHE 2 11.350 14.077 23.945
17 H CYS 3 H CYS 3 17.700 13.770 19.459
18 HA CYS 3 HA CYS 3 19.394 15.286 17.668
19 HB2 CYS 3 HB2 CYS 3 19.301 12.429 18.605
20 HB3 CYS 3 HB3 CYS 3 20.366 12.927 17.302
21 H ASN 4 H ASN 4 16.946 15.671 16.580
22 HA ASN 4 HA ASN 4 15.967 13.965 14.627
23 HB2 ASN 4 HB2 ASN 4 16.073 16.960 14.993
24 HB3 ASN 4 HB3 ASN 4 15.381 16.306 13.519
25 HD21 ASN 4 HD21 ASN 4 12.398 15.390 15.074
26 HD22 ASN 4 HD22 ASN 4 13.301 15.503 13.576
27 H LEU 5 H LEU 5 18.290 16.227 14.307
28 HA LEU 5 HA LEU 5 19.991 16.963 13.020
29 HB2 LEU 5 HB2 LEU 5 20.856 14.781 13.436
30 HB3 LEU 5 HB3 LEU 5 19.946 14.089 12.118
31 HG LEU 5 HG LEU 5 22.366 14.370 11.780
32 HD11 LEU 5 HD11 LEU 5 22.334 15.023 9.483
33 HD12 LEU 5 HD12 LEU 5 20.799 14.208 9.820
34 HD13 LEU 5 HD13 LEU 5 20.875 15.986 9.681
35 HD21 LEU 5 HD21 LEU 5 21.837 17.349 11.501
36 HD22 LEU 5 HD22 LEU 5 22.658 16.566 12.881
37 HD23 LEU 5 HD23 LEU 5 23.372 16.500 11.266
38 H ARG 6 H ARG 6 17.865 14.982 11.043
39 HA ARG 6 HA ARG 6 18.272 16.522 8.642
40 HB2 ARG 6 HB2 ARG 6 17.620 14.260 8.376
41 HB3 ARG 6 HB3 ARG 6 16.231 14.417 9.420
42 HG2 ARG 6 HG2 ARG 6 15.718 14.162 7.012
43 HG3 ARG 6 HG3 ARG 6 14.930 15.527 7.777
44 HD2 ARG 6 HD2 ARG 6 15.882 15.826 5.396
45 HD3 ARG 6 HD3 ARG 6 16.159 17.104 6.569
46 HE ARG 6 HE ARG 6 18.211 14.975 6.097
47 HH11 ARG 6 HH11 ARG 6 17.622 18.426 6.583
48 HH12 ARG 6 HH12 ARG 6 19.354 18.703 6.557
49 HH21 ARG 6 HH21 ARG 6 20.271 15.508 6.235
50 HH22 ARG 6 HH22 ARG 6 20.746 17.195 6.413
51 H ARG 7 H ARG 7 15.392 16.399 10.716
52 HA ARG 7 HA ARG 7 14.351 18.922 9.641
53 HB2 ARG 7 HB2 ARG 7 13.555 17.420 12.163
54 HB3 ARG 7 HB3 ARG 7 12.670 18.734 11.413
55 HG2 ARG 7 HG2 ARG 7 13.114 15.932 10.320
56 HG3 ARG 7 HG3 ARG 7 11.601 16.632 10.842
57 HD2 ARG 7 HD2 ARG 7 13.182 17.584 8.400
58 HD3 ARG 7 HD3 ARG 7 11.945 16.337 8.375
59 HE ARG 7 HE ARG 7 11.126 18.948 9.518
60 HH11 ARG 7 HH11 ARG 7 11.116 17.014 6.567
61 HH12 ARG 7 HH12 ARG 7 9.527 17.584 6.124
62 HH21 ARG 7 HH21 ARG 7 9.351 19.820 8.754
63 HH22 ARG 7 HH22 ARG 7 8.507 19.124 7.365
64 H CYS 8 H CYS 8 16.395 18.169 12.418
65 HA CYS 8 HA CYS 8 16.336 20.666 13.725
66 HB2 CYS 8 HB2 CYS 8 17.400 18.658 14.650
67 HB3 CYS 8 HB3 CYS 8 18.618 18.703 13.369
68 H GLU 9 H GLU 9 18.411 19.720 10.911
69 HA GLU 9 HA GLU 9 19.900 22.111 10.663
70 HB2 GLU 9 HB2 GLU 9 18.935 20.022 8.690
71 HB3 GLU 9 HB3 GLU 9 19.851 21.428 8.137
72 HG2 GLU 9 HG2 GLU 9 21.760 20.869 9.445
73 HG3 GLU 9 HG3 GLU 9 20.896 19.625 10.341
74 H LEU 10 H LEU 10 16.551 21.508 9.588
75 HA LEU 10 HA LEU 10 16.356 23.661 7.726
76 HB2 LEU 10 HB2 LEU 10 14.174 22.513 9.508
77 HB3 LEU 10 HB3 LEU 10 13.912 23.490 8.071
78 HG LEU 10 HG LEU 10 15.201 20.729 8.098
79 HD11 LEU 10 HD11 LEU 10 13.096 19.967 7.097
80 HD12 LEU 10 HD12 LEU 10 12.809 20.685 8.696
81 HD13 LEU 10 HD13 LEU 10 12.420 21.605 7.229
82 HD21 LEU 10 HD21 LEU 10 14.285 22.494 5.780
83 HD22 LEU 10 HD22 LEU 10 15.964 22.080 6.178
84 HD23 LEU 10 HD23 LEU 10 14.857 20.816 5.640
85 H SER 11 H SER 11 15.842 23.625 11.227
86 HA SER 11 HA SER 11 15.074 26.428 11.430
87 HB2 SER 11 HB2 SER 11 15.951 24.453 13.552
88 HB3 SER 11 HB3 SER 11 15.123 25.994 13.833
89 HG SER 11 HG SER 11 13.351 25.179 12.636
90 H CYS 12 H CYS 12 18.148 24.791 11.308
91 HA CYS 12 HA CYS 12 19.635 26.979 12.618
92 HB2 CYS 12 HB2 CYS 12 20.534 24.451 11.192
93 HB3 CYS 12 HB3 CYS 12 21.593 25.579 12.011
94 H ARG 13 H ARG 13 19.054 25.798 9.289
95 HA ARG 13 HA ARG 13 20.820 27.369 7.818
96 HB2 ARG 13 HB2 ARG 13 17.978 26.459 7.262
97 HB3 ARG 13 HB3 ARG 13 18.910 27.378 6.069
98 HG2 ARG 13 HG2 ARG 13 20.601 25.706 5.893
99 HG3 ARG 13 HG3 ARG 13 20.013 24.842 7.311
100 HD2 ARG 13 HD2 ARG 13 19.412 23.635 5.317
101 HD3 ARG 13 HD3 ARG 13 17.956 24.204 6.141
102 HE ARG 13 HE ARG 13 18.292 26.180 4.315
103 HH11 ARG 13 HH11 ARG 13 18.017 22.683 3.899
104 HH12 ARG 13 HH12 ARG 13 17.735 22.884 2.172
105 HH21 ARG 13 HH21 ARG 13 17.796 26.251 2.144
106 HH22 ARG 13 HH22 ARG 13 17.095 24.810 1.424
107 H SER 14 H SER 14 17.846 28.466 9.337
108 HA SER 14 HA SER 14 17.522 31.015 8.217
109 HB2 SER 14 HB2 SER 14 16.885 30.079 11.043
110 HB3 SER 14 HB3 SER 14 16.148 31.449 10.196
111 HG SER 14 HG SER 14 15.203 30.088 8.754
112 H LEU 15 H LEU 15 20.159 30.139 10.321
113 HA LEU 15 HA LEU 15 20.807 33.047 10.624
114 HB2 LEU 15 HB2 LEU 15 21.303 30.771 12.576
115 HB3 LEU 15 HB3 LEU 15 21.987 32.386 12.754
116 HG LEU 15 HG LEU 15 19.003 31.791 12.714
117 HD11 LEU 15 HD11 LEU 15 19.115 32.155 15.141
118 HD12 LEU 15 HD12 LEU 15 20.132 30.787 14.663
119 HD13 LEU 15 HD13 LEU 15 20.878 32.352 15.053
120 HD21 LEU 15 HD21 LEU 15 18.833 34.072 13.708
121 HD22 LEU 15 HD22 LEU 15 20.575 34.305 13.468
122 HD23 LEU 15 HD23 LEU 15 19.491 34.124 12.069
123 H GLY 16 H GLY 16 21.565 30.580 8.778
124 HA2 GLY 16 HA2 GLY 16 23.449 30.282 7.420
125 HA3 GLY 16 HA3 GLY 16 24.415 31.297 8.482
126 H LEU 17 H LEU 17 22.570 28.597 9.858
127 HA LEU 17 HA LEU 17 25.168 27.295 10.567
128 HB2 LEU 17 HB2 LEU 17 22.594 27.245 12.131
129 HB3 LEU 17 HB3 LEU 17 24.166 26.714 12.690
130 HG LEU 17 HG LEU 17 23.301 29.525 12.078
131 HD11 LEU 17 HD11 LEU 17 23.714 28.332 14.823
132 HD12 LEU 17 HD12 LEU 17 23.195 29.973 14.421
133 HD13 LEU 17 HD13 LEU 17 22.127 28.619 14.051
134 HD21 LEU 17 HD21 LEU 17 25.762 29.177 11.895
135 HD22 LEU 17 HD22 LEU 17 25.361 30.197 13.290
136 HD23 LEU 17 HD23 LEU 17 25.741 28.471 13.536
137 H LEU 18 H LEU 18 25.058 25.113 11.168
138 HA LEU 18 HA LEU 18 23.018 23.403 9.806
139 HB2 LEU 18 HB2 LEU 18 25.964 22.908 10.383
140 HB3 LEU 18 HB3 LEU 18 24.844 21.598 10.007
141 HG LEU 18 HG LEU 18 25.336 23.948 8.138
142 HD11 LEU 18 HD11 LEU 18 26.526 21.142 8.098
143 HD12 LEU 18 HD12 LEU 18 26.730 22.380 6.838
144 HD13 LEU 18 HD13 LEU 18 27.401 22.649 8.451
145 HD21 LEU 18 HD21 LEU 18 23.998 21.238 7.717
146 HD22 LEU 18 HD22 LEU 18 23.192 22.828 7.702
147 HD23 LEU 18 HD23 LEU 18 24.352 22.418 6.442
148 H GLY 19 H GLY 19 22.425 21.489 10.990
149 HA2 GLY 19 HA2 GLY 19 22.297 21.907 13.943
150 HA3 GLY 19 HA3 GLY 19 21.315 20.786 13.001
151 H LYS 20 H LYS 20 23.276 20.524 15.376
152 HA LYS 20 HA LYS 20 24.498 17.970 14.412
153 HB2 LYS 20 HB2 LYS 20 25.855 20.104 16.097
154 HB3 LYS 20 HB3 LYS 20 26.450 18.456 15.947
155 HG2 LYS 20 HG2 LYS 20 26.183 20.417 13.634
156 HG3 LYS 20 HG3 LYS 20 27.649 20.104 14.570
157 HD2 LYS 20 HD2 LYS 20 27.530 17.684 13.866
158 HD3 LYS 20 HD3 LYS 20 26.191 18.123 12.777
159 HE2 LYS 20 HE2 LYS 20 27.658 19.792 11.653
160 HE3 LYS 20 HE3 LYS 20 28.954 19.410 12.799
161 HZ1 LYS 20 HZ1 LYS 20 28.992 17.143 11.894
162 HZ2 LYS 20 HZ2 LYS 20 27.837 17.511 10.812
163 HZ3 LYS 20 HZ3 LYS 20 29.305 18.257 10.728
164 H CYS 21 H CYS 21 24.206 16.308 15.686
165 HA CYS 21 HA CYS 21 22.613 16.456 18.141
166 HB2 CYS 21 HB2 CYS 21 22.294 14.623 16.560
167 HB3 CYS 21 HB3 CYS 21 24.006 14.230 16.647
168 H ILE 22 H ILE 22 23.290 16.285 20.169
169 HA ILE 22 HA ILE 22 26.058 15.540 20.886
170 HB ILE 22 HB ILE 22 26.045 17.465 22.565
171 HG12 ILE 22 HG12 ILE 22 24.011 18.672 20.621
172 HG13 ILE 22 HG13 ILE 22 23.623 18.102 22.244
173 HG21 ILE 22 HG21 ILE 22 26.292 18.234 19.643
174 HG22 ILE 22 HG22 ILE 22 27.155 18.939 21.023
175 HG23 ILE 22 HG23 ILE 22 27.493 17.280 20.544
176 HD11 ILE 22 HD11 ILE 22 23.904 20.485 22.325
177 HD12 ILE 22 HD12 ILE 22 25.298 19.760 23.156
178 HD13 ILE 22 HD13 ILE 22 25.470 20.406 21.507
179 H GLY 23 H GLY 23 24.491 13.690 21.058
180 HA2 GLY 23 HA2 GLY 23 23.834 12.004 22.474
181 HA3 GLY 23 HA3 GLY 23 24.342 12.999 23.841
182 H GLU 24 H GLU 24 21.717 12.113 21.749
183 HA GLU 24 HA GLU 24 19.463 12.169 21.905
184 HB2 GLU 24 HB2 GLU 24 19.692 12.827 24.848
185 HB3 GLU 24 HB3 GLU 24 18.347 12.067 24.006
186 HG2 GLU 24 HG2 GLU 24 19.801 10.111 23.478
187 HG3 GLU 24 HG3 GLU 24 21.103 10.834 24.431
188 H GLU 25 H GLU 25 21.102 14.965 21.979
189 HA GLU 25 HA GLU 25 18.662 16.623 21.725
190 HB2 GLU 25 HB2 GLU 25 19.476 16.889 24.012
191 HB3 GLU 25 HB3 GLU 25 21.088 17.312 23.429
192 HG2 GLU 25 HG2 GLU 25 20.296 19.397 22.505
193 HG3 GLU 25 HG3 GLU 25 18.605 18.918 22.713
194 H CYS 26 H CYS 26 18.776 18.244 20.160
195 HA CYS 26 HA CYS 26 21.325 18.447 18.610
196 HB2 CYS 26 HB2 CYS 26 19.413 17.339 17.453
197 HB3 CYS 26 HB3 CYS 26 18.530 18.856 17.530
198 H LYS 27 H LYS 27 22.074 20.369 17.969
199 HA LYS 27 HA LYS 27 20.780 22.952 18.552
200 HB2 LYS 27 HB2 LYS 27 22.907 21.725 20.265
201 HB3 LYS 27 HB3 LYS 27 23.236 23.373 19.757
202 HG2 LYS 27 HG2 LYS 27 21.385 24.274 20.856
203 HG3 LYS 27 HG3 LYS 27 20.515 22.750 20.901
204 HD2 LYS 27 HD2 LYS 27 21.241 23.381 23.115
205 HD3 LYS 27 HD3 LYS 27 21.968 21.856 22.620
206 HE2 LYS 27 HE2 LYS 27 24.103 22.987 22.130
207 HE3 LYS 27 HE3 LYS 27 23.380 24.559 22.491
208 HZ1 LYS 27 HZ1 LYS 27 23.095 23.875 24.783
209 HZ2 LYS 27 HZ2 LYS 27 23.661 22.364 24.480
210 HZ3 LYS 27 HZ3 LYS 27 24.669 23.660 24.357
211 H CYS 28 H CYS 28 22.003 24.771 17.605
212 HA CYS 28 HA CYS 28 23.030 23.900 15.020
213 HB2 CYS 28 HB2 CYS 28 22.468 26.671 16.082
214 HB3 CYS 28 HB3 CYS 28 22.824 26.266 14.411
215 H VAL 29 H VAL 29 24.863 24.907 13.941
216 HA VAL 29 HA VAL 29 27.047 25.919 15.639
217 HB VAL 29 HB VAL 29 28.695 24.382 14.867
218 HG11 VAL 29 HG11 VAL 29 27.501 23.792 16.952
219 HG12 VAL 29 HG12 VAL 29 26.408 22.750 16.013
220 HG13 VAL 29 HG13 VAL 29 28.138 22.382 16.098
221 HG21 VAL 29 HG21 VAL 29 26.511 22.831 13.437
222 HG22 VAL 29 HG22 VAL 29 27.871 23.681 12.673
223 HG23 VAL 29 HG23 VAL 29 28.184 22.280 13.682
224 HA PRO 30 HA PRO 30 27.851 28.180 11.841
225 HB2 PRO 30 HB2 PRO 30 30.055 29.563 12.515
226 HB3 PRO 30 HB3 PRO 30 28.529 29.778 13.433
227 HG2 PRO 30 HG2 PRO 30 30.878 28.003 14.174
228 HG3 PRO 30 HG3 PRO 30 30.063 29.239 15.192
229 HD2 PRO 30 HD2 PRO 30 29.409 26.565 15.265
230 HD3 PRO 30 HD3 PRO 30 28.206 27.854 15.544
231 H HIS 31 H HIS 31 29.628 25.550 12.859
232 HA HIS 31 HA HIS 31 31.986 25.684 11.225
233 HB2 HIS 31 HB2 HIS 31 30.731 23.224 12.449
234 HB3 HIS 31 HB3 HIS 31 32.418 23.447 11.998
235 HD2 HIS 31 HD2 HIS 31 30.759 22.963 14.995
236 HE1 HIS 31 HE1 HIS 31 33.135 26.333 16.067
237 HE2 HIS 31 HE2 HIS 31 31.712 24.416 16.974
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 12.580 12.746 24.204
2 H2 ALA 1 H2 ALA 1 11.970 12.464 22.690
3 H3 ALA 1 H3 ALA 1 11.210 13.501 23.693
4 HA ALA 1 HA ALA 1 12.395 14.718 22.030
5 HB1 ALA 1 HB1 ALA 1 13.487 14.989 24.860
6 HB2 ALA 1 HB2 ALA 1 13.669 16.195 23.577
7 HB3 ALA 1 HB3 ALA 1 12.059 15.802 24.173
8 H PHE 2 H PHE 2 13.514 13.343 20.555
9 HA PHE 2 HA PHE 2 16.414 12.969 21.176
10 HB2 PHE 2 HB2 PHE 2 14.635 11.163 19.512
11 HB3 PHE 2 HB3 PHE 2 16.319 10.910 19.905
12 HD1 PHE 2 HD1 PHE 2 16.903 10.904 22.524
13 HD2 PHE 2 HD2 PHE 2 13.041 10.000 20.839
14 HE1 PHE 2 HE1 PHE 2 16.285 9.680 24.592
15 HE2 PHE 2 HE2 PHE 2 12.418 8.792 22.912
16 HZ PHE 2 HZ PHE 2 14.038 8.631 24.793
17 H CYS 3 H CYS 3 17.699 12.653 19.028
18 HA CYS 3 HA CYS 3 17.554 15.234 17.785
19 HB2 CYS 3 HB2 CYS 3 19.297 12.784 17.443
20 HB3 CYS 3 HB3 CYS 3 19.536 14.235 16.483
21 H ASN 4 H ASN 4 16.306 15.853 16.136
22 HA ASN 4 HA ASN 4 15.079 14.141 14.169
23 HB2 ASN 4 HB2 ASN 4 15.589 17.148 14.334
24 HB3 ASN 4 HB3 ASN 4 14.726 16.378 13.006
25 HD21 ASN 4 HD21 ASN 4 11.732 15.973 14.745
26 HD22 ASN 4 HD22 ASN 4 12.734 15.139 13.553
27 H LEU 5 H LEU 5 17.638 16.111 14.263
28 HA LEU 5 HA LEU 5 19.539 16.749 13.268
29 HB2 LEU 5 HB2 LEU 5 20.077 14.432 13.538
30 HB3 LEU 5 HB3 LEU 5 19.314 14.022 12.024
31 HG LEU 5 HG LEU 5 21.769 14.056 12.045
32 HD11 LEU 5 HD11 LEU 5 22.117 14.915 9.881
33 HD12 LEU 5 HD12 LEU 5 20.431 14.404 9.913
34 HD13 LEU 5 HD13 LEU 5 20.856 16.131 10.033
35 HD21 LEU 5 HD21 LEU 5 22.087 16.023 13.522
36 HD22 LEU 5 HD22 LEU 5 23.071 16.069 12.059
37 HD23 LEU 5 HD23 LEU 5 21.626 17.086 12.166
38 H ARG 6 H ARG 6 17.299 15.426 10.846
39 HA ARG 6 HA ARG 6 18.293 17.291 8.780
40 HB2 ARG 6 HB2 ARG 6 17.444 15.079 8.144
41 HB3 ARG 6 HB3 ARG 6 15.851 15.489 8.749
42 HG2 ARG 6 HG2 ARG 6 15.637 15.734 6.466
43 HG3 ARG 6 HG3 ARG 6 15.820 17.399 6.993
44 HD2 ARG 6 HD2 ARG 6 18.085 15.662 5.909
45 HD3 ARG 6 HD3 ARG 6 17.085 16.684 4.897
46 HE ARG 6 HE ARG 6 19.200 17.537 6.783
47 HH11 ARG 6 HH11 ARG 6 20.189 19.339 6.391
48 HH12 ARG 6 HH12 ARG 6 19.591 20.502 5.216
49 HH21 ARG 6 HH21 ARG 6 16.772 18.683 4.435
50 HH22 ARG 6 HH22 ARG 6 17.837 19.989 4.006
51 H ARG 7 H ARG 7 15.073 17.057 10.409
52 HA ARG 7 HA ARG 7 14.324 19.768 9.812
53 HB2 ARG 7 HB2 ARG 7 13.456 17.899 12.042
54 HB3 ARG 7 HB3 ARG 7 12.729 19.487 11.770
55 HG2 ARG 7 HG2 ARG 7 11.856 18.898 9.662
56 HG3 ARG 7 HG3 ARG 7 12.939 17.527 9.464
57 HD2 ARG 7 HD2 ARG 7 11.764 16.346 11.339
58 HD3 ARG 7 HD3 ARG 7 10.580 17.654 11.379
59 HE ARG 7 HE ARG 7 10.993 15.613 9.252
60 HH11 ARG 7 HH11 ARG 7 9.248 18.551 10.109
61 HH12 ARG 7 HH12 ARG 7 8.325 18.521 8.631
62 HH21 ARG 7 HH21 ARG 7 9.546 15.504 7.527
63 HH22 ARG 7 HH22 ARG 7 8.352 16.774 7.366
64 H CYS 8 H CYS 8 16.305 18.548 12.490
65 HA CYS 8 HA CYS 8 16.724 21.060 13.774
66 HB2 CYS 8 HB2 CYS 8 17.505 18.905 14.676
67 HB3 CYS 8 HB3 CYS 8 18.683 18.798 13.367
68 H GLU 9 H GLU 9 18.730 19.709 11.023
69 HA GLU 9 HA GLU 9 20.338 22.026 10.630
70 HB2 GLU 9 HB2 GLU 9 19.432 19.785 8.794
71 HB3 GLU 9 HB3 GLU 9 20.470 21.090 8.226
72 HG2 GLU 9 HG2 GLU 9 22.224 20.503 9.769
73 HG3 GLU 9 HG3 GLU 9 21.239 19.251 10.521
74 H LEU 10 H LEU 10 17.111 21.271 9.287
75 HA LEU 10 HA LEU 10 16.953 23.538 7.515
76 HB2 LEU 10 HB2 LEU 10 14.774 21.964 8.956
77 HB3 LEU 10 HB3 LEU 10 14.465 23.163 7.707
78 HG LEU 10 HG LEU 10 16.065 20.616 7.309
79 HD11 LEU 10 HD11 LEU 10 13.651 20.193 7.738
80 HD12 LEU 10 HD12 LEU 10 13.240 21.292 6.409
81 HD13 LEU 10 HD13 LEU 10 14.127 19.787 6.087
82 HD21 LEU 10 HD21 LEU 10 15.075 22.756 5.364
83 HD22 LEU 10 HD22 LEU 10 16.765 22.297 5.682
84 HD23 LEU 10 HD23 LEU 10 15.676 21.174 4.854
85 H SER 11 H SER 11 15.815 23.139 10.907
86 HA SER 11 HA SER 11 14.930 25.874 11.142
87 HB2 SER 11 HB2 SER 11 15.819 23.985 13.351
88 HB3 SER 11 HB3 SER 11 14.916 25.497 13.557
89 HG SER 11 HG SER 11 13.507 24.217 11.808
90 H CYS 12 H CYS 12 18.109 24.357 11.934
91 HA CYS 12 HA CYS 12 19.353 26.668 13.007
92 HB2 CYS 12 HB2 CYS 12 20.447 24.295 11.461
93 HB3 CYS 12 HB3 CYS 12 21.466 25.523 12.172
94 H ARG 13 H ARG 13 18.770 25.850 9.592
95 HA ARG 13 HA ARG 13 20.541 27.720 8.420
96 HB2 ARG 13 HB2 ARG 13 19.068 25.825 7.347
97 HB3 ARG 13 HB3 ARG 13 17.845 27.089 7.208
98 HG2 ARG 13 HG2 ARG 13 19.646 28.509 6.019
99 HG3 ARG 13 HG3 ARG 13 20.652 27.068 5.981
100 HD2 ARG 13 HD2 ARG 13 17.850 27.280 4.840
101 HD3 ARG 13 HD3 ARG 13 19.325 27.588 3.908
102 HE ARG 13 HE ARG 13 19.610 25.004 4.988
103 HH11 ARG 13 HH11 ARG 13 17.384 26.658 2.764
104 HH12 ARG 13 HH12 ARG 13 17.132 25.159 1.863
105 HH21 ARG 13 HH21 ARG 13 19.208 23.197 3.626
106 HH22 ARG 13 HH22 ARG 13 18.036 23.395 2.321
107 H SER 14 H SER 14 17.589 28.452 10.172
108 HA SER 14 HA SER 14 16.966 30.962 8.977
109 HB2 SER 14 HB2 SER 14 15.518 29.913 10.647
110 HB3 SER 14 HB3 SER 14 16.765 30.142 11.891
111 HG SER 14 HG SER 14 15.756 31.914 12.224
112 H LEU 15 H LEU 15 19.645 30.120 11.111
113 HA LEU 15 HA LEU 15 20.696 32.915 10.906
114 HB2 LEU 15 HB2 LEU 15 21.325 30.812 12.996
115 HB3 LEU 15 HB3 LEU 15 21.975 32.454 12.945
116 HG LEU 15 HG LEU 15 19.047 31.707 13.370
117 HD11 LEU 15 HD11 LEU 15 20.473 31.073 15.272
118 HD12 LEU 15 HD12 LEU 15 21.148 32.720 15.330
119 HD13 LEU 15 HD13 LEU 15 19.428 32.437 15.690
120 HD21 LEU 15 HD21 LEU 15 18.757 34.066 14.041
121 HD22 LEU 15 HD22 LEU 15 20.437 34.411 13.581
122 HD23 LEU 15 HD23 LEU 15 19.243 33.943 12.345
123 H GLY 16 H GLY 16 20.806 30.621 8.990
124 HA2 GLY 16 HA2 GLY 16 22.258 29.893 7.371
125 HA3 GLY 16 HA3 GLY 16 23.537 30.858 8.107
126 H LEU 17 H LEU 17 22.614 28.981 10.598
127 HA LEU 17 HA LEU 17 25.072 27.535 10.581
128 HB2 LEU 17 HB2 LEU 17 22.791 26.969 12.459
129 HB3 LEU 17 HB3 LEU 17 24.491 26.863 12.807
130 HG LEU 17 HG LEU 17 22.998 29.441 12.319
131 HD11 LEU 17 HD11 LEU 17 22.890 29.863 14.677
132 HD12 LEU 17 HD12 LEU 17 22.011 28.380 14.287
133 HD13 LEU 17 HD13 LEU 17 23.639 28.310 15.037
134 HD21 LEU 17 HD21 LEU 17 25.539 28.921 13.844
135 HD22 LEU 17 HD22 LEU 17 25.537 29.438 12.136
136 HD23 LEU 17 HD23 LEU 17 24.890 30.514 13.400
137 H LEU 18 H LEU 18 25.353 25.279 11.022
138 HA LEU 18 HA LEU 18 23.274 23.436 9.889
139 HB2 LEU 18 HB2 LEU 18 26.265 23.072 10.277
140 HB3 LEU 18 HB3 LEU 18 25.171 21.710 10.046
141 HG LEU 18 HG LEU 18 25.606 23.957 8.045
142 HD11 LEU 18 HD11 LEU 18 27.514 22.359 8.283
143 HD12 LEU 18 HD12 LEU 18 26.404 21.002 7.989
144 HD13 LEU 18 HD13 LEU 18 26.714 22.203 6.719
145 HD21 LEU 18 HD21 LEU 18 23.927 21.409 7.849
146 HD22 LEU 18 HD22 LEU 18 23.324 23.088 7.781
147 HD23 LEU 18 HD23 LEU 18 24.338 22.468 6.488
148 H GLY 19 H GLY 19 22.755 21.577 11.045
149 HA2 GLY 19 HA2 GLY 19 22.850 21.872 14.016
150 HA3 GLY 19 HA3 GLY 19 21.639 20.970 13.113
151 H LYS 20 H LYS 20 23.702 20.274 15.286
152 HA LYS 20 HA LYS 20 24.350 17.605 14.136
153 HB2 LYS 20 HB2 LYS 20 26.368 19.367 15.606
154 HB3 LYS 20 HB3 LYS 20 26.505 17.623 15.449
155 HG2 LYS 20 HG2 LYS 20 27.787 18.159 13.678
156 HG3 LYS 20 HG3 LYS 20 26.243 18.091 12.856
157 HD2 LYS 20 HD2 LYS 20 26.102 20.630 13.132
158 HD3 LYS 20 HD3 LYS 20 27.743 20.602 13.767
159 HE2 LYS 20 HE2 LYS 20 27.080 19.293 11.110
160 HE3 LYS 20 HE3 LYS 20 27.255 21.045 11.182
161 HZ1 LYS 20 HZ1 LYS 20 29.277 19.580 10.635
162 HZ2 LYS 20 HZ2 LYS 20 29.499 20.886 11.582
163 HZ3 LYS 20 HZ3 LYS 20 29.431 19.403 12.286
164 H CYS 21 H CYS 21 24.075 15.929 15.525
165 HA CYS 21 HA CYS 21 22.523 16.417 17.972
166 HB2 CYS 21 HB2 CYS 21 22.067 14.533 16.355
167 HB3 CYS 21 HB3 CYS 21 23.600 13.827 16.870
168 H ILE 22 H ILE 22 23.361 16.604 20.004
169 HA ILE 22 HA ILE 22 25.880 15.162 20.633
170 HB ILE 22 HB ILE 22 25.464 18.016 21.567
171 HG12 ILE 22 HG12 ILE 22 27.267 17.161 19.264
172 HG13 ILE 22 HG13 ILE 22 25.787 18.113 19.112
173 HG21 ILE 22 HG21 ILE 22 27.773 17.814 22.324
174 HG22 ILE 22 HG22 ILE 22 26.881 16.430 22.936
175 HG23 ILE 22 HG23 ILE 22 27.944 16.238 21.530
176 HD11 ILE 22 HD11 ILE 22 27.616 19.624 18.984
177 HD12 ILE 22 HD12 ILE 22 26.794 19.901 20.532
178 HD13 ILE 22 HD13 ILE 22 28.339 19.013 20.477
179 H GLY 23 H GLY 23 25.338 13.802 22.237
180 HA2 GLY 23 HA2 GLY 23 24.409 12.990 24.200
181 HA3 GLY 23 HA3 GLY 23 24.242 14.678 24.722
182 H GLU 24 H GLU 24 22.694 12.883 22.046
183 HA GLU 24 HA GLU 24 20.565 12.693 21.333
184 HB2 GLU 24 HB2 GLU 24 19.685 12.615 24.221
185 HB3 GLU 24 HB3 GLU 24 18.909 11.882 22.825
186 HG2 GLU 24 HG2 GLU 24 21.460 11.035 24.231
187 HG3 GLU 24 HG3 GLU 24 19.945 10.143 24.088
188 H GLU 25 H GLU 25 21.481 15.572 22.327
189 HA GLU 25 HA GLU 25 18.902 16.770 21.442
190 HB2 GLU 25 HB2 GLU 25 19.300 17.296 23.838
191 HB3 GLU 25 HB3 GLU 25 20.855 18.019 23.367
192 HG2 GLU 25 HG2 GLU 25 19.489 19.575 21.826
193 HG3 GLU 25 HG3 GLU 25 18.055 18.978 22.650
194 H CYS 26 H CYS 26 19.033 17.623 19.517
195 HA CYS 26 HA CYS 26 21.603 18.180 18.272
196 HB2 CYS 26 HB2 CYS 26 19.624 17.213 17.079
197 HB3 CYS 26 HB3 CYS 26 18.823 18.775 17.261
198 H LYS 27 H LYS 27 22.635 20.009 18.039
199 HA LYS 27 HA LYS 27 21.368 22.615 18.769
200 HB2 LYS 27 HB2 LYS 27 24.032 21.508 19.754
201 HB3 LYS 27 HB3 LYS 27 23.759 23.233 19.567
202 HG2 LYS 27 HG2 LYS 27 23.241 23.016 21.767
203 HG3 LYS 27 HG3 LYS 27 21.654 22.911 21.034
204 HD2 LYS 27 HD2 LYS 27 21.761 21.278 22.755
205 HD3 LYS 27 HD3 LYS 27 21.830 20.385 21.230
206 HE2 LYS 27 HE2 LYS 27 24.323 20.233 21.491
207 HE3 LYS 27 HE3 LYS 27 24.189 21.102 23.025
208 HZ1 LYS 27 HZ1 LYS 27 22.806 19.230 23.855
209 HZ2 LYS 27 HZ2 LYS 27 23.050 18.406 22.444
210 HZ3 LYS 27 HZ3 LYS 27 24.287 18.749 23.452
211 H CYS 28 H CYS 28 22.234 24.410 17.712
212 HA CYS 28 HA CYS 28 23.341 23.866 15.033
213 HB2 CYS 28 HB2 CYS 28 22.677 26.499 16.354
214 HB3 CYS 28 HB3 CYS 28 23.009 26.231 14.646
215 H VAL 29 H VAL 29 25.259 25.151 14.262
216 HA VAL 29 HA VAL 29 27.253 25.631 16.433
217 HB VAL 29 HB VAL 29 29.009 24.515 15.310
218 HG11 VAL 29 HG11 VAL 29 27.539 23.212 16.852
219 HG12 VAL 29 HG12 VAL 29 26.651 22.595 15.447
220 HG13 VAL 29 HG13 VAL 29 28.375 22.219 15.654
221 HG21 VAL 29 HG21 VAL 29 27.020 23.682 13.157
222 HG22 VAL 29 HG22 VAL 29 28.444 24.729 12.951
223 HG23 VAL 29 HG23 VAL 29 28.663 23.032 13.357
224 HA PRO 30 HA PRO 30 27.560 29.460 14.473
225 HB2 PRO 30 HB2 PRO 30 29.841 30.525 15.483
226 HB3 PRO 30 HB3 PRO 30 28.439 30.107 16.501
227 HG2 PRO 30 HG2 PRO 30 30.909 28.416 15.973
228 HG3 PRO 30 HG3 PRO 30 30.203 28.891 17.556
229 HD2 PRO 30 HD2 PRO 30 29.622 26.500 16.394
230 HD3 PRO 30 HD3 PRO 30 28.369 27.413 17.274
231 H HIS 31 H HIS 31 29.878 27.112 13.572
232 HA HIS 31 HA HIS 31 31.722 28.408 12.021
233 HB2 HIS 31 HB2 HIS 31 30.486 25.662 11.627
234 HB3 HIS 31 HB3 HIS 31 32.011 26.215 10.938
235 HD2 HIS 31 HD2 HIS 31 34.074 26.632 12.553
236 HE1 HIS 31 HE1 HIS 31 32.373 25.067 16.128
237 HE2 HIS 31 HE2 HIS 31 34.549 25.870 15.014
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 12.279 10.627 22.658
2 H2 ALA 1 H2 ALA 1 10.888 11.157 23.351
3 H3 ALA 1 H3 ALA 1 12.321 11.466 24.096
4 HA ALA 1 HA ALA 1 11.604 12.478 21.429
5 HB1 ALA 1 HB1 ALA 1 10.081 13.439 23.085
6 HB2 ALA 1 HB2 ALA 1 11.445 13.931 24.104
7 HB3 ALA 1 HB3 ALA 1 11.211 14.663 22.506
8 H PHE 2 H PHE 2 13.455 12.764 20.334
9 HA PHE 2 HA PHE 2 15.942 13.610 21.756
10 HB2 PHE 2 HB2 PHE 2 15.701 11.218 19.900
11 HB3 PHE 2 HB3 PHE 2 17.160 11.772 20.721
12 HD1 PHE 2 HD1 PHE 2 17.079 11.887 23.335
13 HD2 PHE 2 HD2 PHE 2 14.401 9.518 20.927
14 HE1 PHE 2 HE1 PHE 2 16.675 10.376 25.268
15 HE2 PHE 2 HE2 PHE 2 13.962 8.048 22.885
16 HZ PHE 2 HZ PHE 2 15.105 8.461 25.044
17 H CYS 3 H CYS 3 17.541 13.021 19.367
18 HA CYS 3 HA CYS 3 17.402 15.599 18.115
19 HB2 CYS 3 HB2 CYS 3 18.987 13.049 17.631
20 HB3 CYS 3 HB3 CYS 3 19.240 14.519 16.688
21 H ASN 4 H ASN 4 16.132 16.232 16.460
22 HA ASN 4 HA ASN 4 14.789 14.489 14.605
23 HB2 ASN 4 HB2 ASN 4 15.420 17.462 14.638
24 HB3 ASN 4 HB3 ASN 4 14.542 16.693 13.329
25 HD21 ASN 4 HD21 ASN 4 11.530 16.565 15.054
26 HD22 ASN 4 HD22 ASN 4 12.418 16.012 13.640
27 H LEU 5 H LEU 5 17.428 16.376 14.480
28 HA LEU 5 HA LEU 5 19.345 16.832 13.352
29 HB2 LEU 5 HB2 LEU 5 19.955 14.598 13.854
30 HB3 LEU 5 HB3 LEU 5 19.021 13.975 12.504
31 HG LEU 5 HG LEU 5 20.582 15.071 10.896
32 HD11 LEU 5 HD11 LEU 5 22.739 15.993 11.768
33 HD12 LEU 5 HD12 LEU 5 21.360 16.992 12.221
34 HD13 LEU 5 HD13 LEU 5 22.095 15.891 13.418
35 HD21 LEU 5 HD21 LEU 5 21.995 13.379 13.005
36 HD22 LEU 5 HD22 LEU 5 21.011 12.759 11.660
37 HD23 LEU 5 HD23 LEU 5 22.521 13.622 11.326
38 H ARG 6 H ARG 6 17.013 15.207 11.223
39 HA ARG 6 HA ARG 6 18.031 16.611 8.839
40 HB2 ARG 6 HB2 ARG 6 15.588 14.828 9.204
41 HB3 ARG 6 HB3 ARG 6 16.102 15.525 7.668
42 HG2 ARG 6 HG2 ARG 6 18.279 14.368 7.843
43 HG3 ARG 6 HG3 ARG 6 17.795 13.642 9.378
44 HD2 ARG 6 HD2 ARG 6 16.346 13.255 6.729
45 HD3 ARG 6 HD3 ARG 6 17.544 12.119 7.401
46 HE ARG 6 HE ARG 6 15.834 12.200 9.454
47 HH11 ARG 6 HH11 ARG 6 15.095 11.695 6.060
48 HH12 ARG 6 HH12 ARG 6 13.616 10.827 6.462
49 HH21 ARG 6 HH21 ARG 6 13.894 11.230 9.864
50 HH22 ARG 6 HH22 ARG 6 12.861 10.821 8.545
51 H ARG 7 H ARG 7 15.134 17.040 10.837
52 HA ARG 7 HA ARG 7 14.420 19.575 9.545
53 HB2 ARG 7 HB2 ARG 7 12.854 17.896 10.778
54 HB3 ARG 7 HB3 ARG 7 13.453 18.640 12.267
55 HG2 ARG 7 HG2 ARG 7 12.739 20.900 11.202
56 HG3 ARG 7 HG3 ARG 7 11.915 19.935 9.974
57 HD2 ARG 7 HD2 ARG 7 11.392 19.963 12.974
58 HD3 ARG 7 HD3 ARG 7 10.350 20.625 11.712
59 HE ARG 7 HE ARG 7 10.726 17.824 11.206
60 HH11 ARG 7 HH11 ARG 7 9.022 19.848 13.576
61 HH12 ARG 7 HH12 ARG 7 7.924 18.509 13.915
62 HH21 ARG 7 HH21 ARG 7 9.303 16.305 11.769
63 HH22 ARG 7 HH22 ARG 7 8.023 16.679 12.944
64 H CYS 8 H CYS 8 16.131 18.630 12.535
65 HA CYS 8 HA CYS 8 16.650 21.146 13.648
66 HB2 CYS 8 HB2 CYS 8 17.335 19.054 14.692
67 HB3 CYS 8 HB3 CYS 8 18.464 18.745 13.386
68 H GLU 9 H GLU 9 18.606 19.593 11.008
69 HA GLU 9 HA GLU 9 20.370 21.723 10.492
70 HB2 GLU 9 HB2 GLU 9 19.130 19.531 8.812
71 HB3 GLU 9 HB3 GLU 9 20.160 20.718 8.042
72 HG2 GLU 9 HG2 GLU 9 21.144 19.183 10.470
73 HG3 GLU 9 HG3 GLU 9 21.198 18.488 8.846
74 H LEU 10 H LEU 10 16.982 21.399 9.343
75 HA LEU 10 HA LEU 10 17.102 23.709 7.573
76 HB2 LEU 10 HB2 LEU 10 14.669 22.386 8.849
77 HB3 LEU 10 HB3 LEU 10 14.658 23.511 7.507
78 HG LEU 10 HG LEU 10 15.858 20.724 7.449
79 HD11 LEU 10 HD11 LEU 10 13.380 20.760 7.570
80 HD12 LEU 10 HD12 LEU 10 13.332 21.833 6.156
81 HD13 LEU 10 HD13 LEU 10 13.956 20.177 6.003
82 HD21 LEU 10 HD21 LEU 10 15.980 21.093 4.991
83 HD22 LEU 10 HD22 LEU 10 15.509 22.788 5.234
84 HD23 LEU 10 HD23 LEU 10 17.050 22.175 5.889
85 H SER 11 H SER 11 16.043 23.216 10.958
86 HA SER 11 HA SER 11 15.152 25.916 11.384
87 HB2 SER 11 HB2 SER 11 14.654 23.872 12.799
88 HB3 SER 11 HB3 SER 11 16.282 24.030 13.479
89 HG SER 11 HG SER 11 14.044 25.757 13.673
90 H CYS 12 H CYS 12 18.354 24.362 11.884
91 HA CYS 12 HA CYS 12 19.726 26.713 12.784
92 HB2 CYS 12 HB2 CYS 12 20.717 24.248 11.291
93 HB3 CYS 12 HB3 CYS 12 21.748 25.435 12.054
94 H ARG 13 H ARG 13 19.044 25.511 9.484
95 HA ARG 13 HA ARG 13 20.652 27.368 8.050
96 HB2 ARG 13 HB2 ARG 13 19.403 25.248 7.301
97 HB3 ARG 13 HB3 ARG 13 17.997 26.287 7.040
98 HG2 ARG 13 HG2 ARG 13 19.238 27.600 5.396
99 HG3 ARG 13 HG3 ARG 13 20.748 26.793 5.799
100 HD2 ARG 13 HD2 ARG 13 18.285 25.434 4.624
101 HD3 ARG 13 HD3 ARG 13 19.742 25.933 3.689
102 HE ARG 13 HE ARG 13 20.832 24.320 5.555
103 HH11 ARG 13 HH11 ARG 13 18.266 23.745 3.255
104 HH12 ARG 13 HH12 ARG 13 18.430 22.013 3.434
105 HH21 ARG 13 HH21 ARG 13 20.821 22.141 5.917
106 HH22 ARG 13 HH22 ARG 13 19.761 21.136 4.945
107 H SER 14 H SER 14 17.533 27.903 9.635
108 HA SER 14 HA SER 14 16.885 30.400 8.408
109 HB2 SER 14 HB2 SER 14 16.334 29.581 11.277
110 HB3 SER 14 HB3 SER 14 15.446 30.769 10.313
111 HG SER 14 HG SER 14 15.142 28.814 8.826
112 H LEU 15 H LEU 15 19.572 29.690 10.452
113 HA LEU 15 HA LEU 15 19.996 32.568 11.126
114 HB2 LEU 15 HB2 LEU 15 20.621 30.027 12.663
115 HB3 LEU 15 HB3 LEU 15 21.096 31.647 13.181
116 HG LEU 15 HG LEU 15 18.197 30.744 12.828
117 HD11 LEU 15 HD11 LEU 15 19.268 29.395 14.541
118 HD12 LEU 15 HD12 LEU 15 19.931 30.852 15.316
119 HD13 LEU 15 HD13 LEU 15 18.174 30.568 15.286
120 HD21 LEU 15 HD21 LEU 15 17.698 32.707 14.235
121 HD22 LEU 15 HD22 LEU 15 19.421 33.143 14.262
122 HD23 LEU 15 HD23 LEU 15 18.499 33.201 12.741
123 H GLY 16 H GLY 16 21.031 30.362 8.965
124 HA2 GLY 16 HA2 GLY 16 22.973 30.107 7.745
125 HA3 GLY 16 HA3 GLY 16 23.687 31.461 8.633
126 H LEU 17 H LEU 17 22.457 28.552 10.229
127 HA LEU 17 HA LEU 17 25.227 27.848 11.113
128 HB2 LEU 17 HB2 LEU 17 22.628 27.155 12.487
129 HB3 LEU 17 HB3 LEU 17 24.247 27.023 13.149
130 HG LEU 17 HG LEU 17 22.753 29.546 12.469
131 HD11 LEU 17 HD11 LEU 17 22.490 29.979 14.824
132 HD12 LEU 17 HD12 LEU 17 21.745 28.431 14.420
133 HD13 LEU 17 HD13 LEU 17 23.336 28.489 15.240
134 HD21 LEU 17 HD21 LEU 17 25.181 29.839 12.340
135 HD22 LEU 17 HD22 LEU 17 24.519 30.686 13.744
136 HD23 LEU 17 HD23 LEU 17 25.318 29.116 13.993
137 H LEU 18 H LEU 18 25.465 25.547 11.721
138 HA LEU 18 HA LEU 18 23.911 23.637 10.019
139 HB2 LEU 18 HB2 LEU 18 26.831 23.584 10.865
140 HB3 LEU 18 HB3 LEU 18 25.980 22.145 10.298
141 HG LEU 18 HG LEU 18 26.177 24.678 8.633
142 HD11 LEU 18 HD11 LEU 18 27.979 23.536 7.393
143 HD12 LEU 18 HD12 LEU 18 28.435 23.794 9.088
144 HD13 LEU 18 HD13 LEU 18 27.919 22.183 8.546
145 HD21 LEU 18 HD21 LEU 18 24.370 23.164 7.933
146 HD22 LEU 18 HD22 LEU 18 25.687 23.131 6.752
147 HD23 LEU 18 HD23 LEU 18 25.498 21.801 7.916
148 H GLY 19 H GLY 19 23.139 21.844 10.992
149 HA2 GLY 19 HA2 GLY 19 23.015 21.920 13.993
150 HA3 GLY 19 HA3 GLY 19 21.786 21.247 12.931
151 H LYS 20 H LYS 20 23.726 20.210 15.194
152 HA LYS 20 HA LYS 20 23.704 17.523 14.017
153 HB2 LYS 20 HB2 LYS 20 25.893 16.856 14.416
154 HB3 LYS 20 HB3 LYS 20 25.987 18.322 13.469
155 HG2 LYS 20 HG2 LYS 20 26.496 18.131 16.474
156 HG3 LYS 20 HG3 LYS 20 27.721 18.093 15.206
157 HD2 LYS 20 HD2 LYS 20 27.009 20.404 14.499
158 HD3 LYS 20 HD3 LYS 20 25.889 20.437 15.868
159 HE2 LYS 20 HE2 LYS 20 27.876 21.614 16.509
160 HE3 LYS 20 HE3 LYS 20 27.783 20.114 17.440
161 HZ1 LYS 20 HZ1 LYS 20 30.001 20.600 16.567
162 HZ2 LYS 20 HZ2 LYS 20 29.459 19.153 16.006
163 HZ3 LYS 20 HZ3 LYS 20 29.466 20.451 15.010
164 H CYS 21 H CYS 21 23.958 15.783 15.554
165 HA CYS 21 HA CYS 21 22.429 16.433 17.970
166 HB2 CYS 21 HB2 CYS 21 21.915 14.545 16.417
167 HB3 CYS 21 HB3 CYS 21 23.418 13.781 16.910
168 H ILE 22 H ILE 22 23.281 16.832 19.923
169 HA ILE 22 HA ILE 22 26.088 16.134 20.559
170 HB ILE 22 HB ILE 22 24.099 17.697 22.214
171 HG12 ILE 22 HG12 ILE 22 24.303 18.918 20.142
172 HG13 ILE 22 HG13 ILE 22 25.187 19.753 21.399
173 HG21 ILE 22 HG21 ILE 22 26.018 16.893 23.521
174 HG22 ILE 22 HG22 ILE 22 27.139 17.516 22.306
175 HG23 ILE 22 HG23 ILE 22 26.159 18.632 23.277
176 HD11 ILE 22 HD11 ILE 22 26.399 19.815 19.276
177 HD12 ILE 22 HD12 ILE 22 27.337 18.919 20.477
178 HD13 ILE 22 HD13 ILE 22 26.448 18.046 19.205
179 H GLY 23 H GLY 23 25.208 13.907 20.224
180 HA2 GLY 23 HA2 GLY 23 24.900 11.774 21.112
181 HA3 GLY 23 HA3 GLY 23 24.742 12.461 22.727
182 H GLU 24 H GLU 24 22.589 14.010 22.718
183 HA GLU 24 HA GLU 24 20.281 12.641 21.444
184 HB2 GLU 24 HB2 GLU 24 19.283 11.932 23.518
185 HB3 GLU 24 HB3 GLU 24 20.898 11.254 23.358
186 HG2 GLU 24 HG2 GLU 24 21.701 13.176 24.878
187 HG3 GLU 24 HG3 GLU 24 20.007 13.569 25.153
188 H GLU 25 H GLU 25 21.503 15.513 21.952
189 HA GLU 25 HA GLU 25 18.852 16.787 21.770
190 HB2 GLU 25 HB2 GLU 25 19.483 17.259 24.068
191 HB3 GLU 25 HB3 GLU 25 21.089 17.809 23.573
192 HG2 GLU 25 HG2 GLU 25 20.134 19.692 22.346
193 HG3 GLU 25 HG3 GLU 25 18.495 19.115 22.667
194 H CYS 26 H CYS 26 18.816 18.093 19.930
195 HA CYS 26 HA CYS 26 21.319 18.177 18.385
196 HB2 CYS 26 HB2 CYS 26 19.042 17.558 17.442
197 HB3 CYS 26 HB3 CYS 26 18.672 19.291 17.505
198 H LYS 27 H LYS 27 22.323 20.031 17.564
199 HA LYS 27 HA LYS 27 21.621 22.640 18.808
200 HB2 LYS 27 HB2 LYS 27 23.078 21.098 20.270
201 HB3 LYS 27 HB3 LYS 27 24.391 21.426 19.141
202 HG2 LYS 27 HG2 LYS 27 24.283 23.804 19.635
203 HG3 LYS 27 HG3 LYS 27 22.798 23.613 20.574
204 HD2 LYS 27 HD2 LYS 27 25.513 22.432 21.321
205 HD3 LYS 27 HD3 LYS 27 24.783 23.884 22.020
206 HE2 LYS 27 HE2 LYS 27 22.844 22.537 22.827
207 HE3 LYS 27 HE3 LYS 27 23.580 21.087 22.146
208 HZ1 LYS 27 HZ1 LYS 27 24.194 21.014 24.318
209 HZ2 LYS 27 HZ2 LYS 27 25.551 21.688 23.674
210 HZ3 LYS 27 HZ3 LYS 27 24.463 22.613 24.483
211 H CYS 28 H CYS 28 22.086 24.338 17.612
212 HA CYS 28 HA CYS 28 23.390 24.035 15.017
213 HB2 CYS 28 HB2 CYS 28 22.376 26.538 16.370
214 HB3 CYS 28 HB3 CYS 28 22.817 26.360 14.679
215 H VAL 29 H VAL 29 25.186 25.291 14.283
216 HA VAL 29 HA VAL 29 26.865 26.692 16.248
217 HB VAL 29 HB VAL 29 28.939 25.524 15.511
218 HG11 VAL 29 HG11 VAL 29 28.784 23.704 17.069
219 HG12 VAL 29 HG12 VAL 29 27.876 25.076 17.705
220 HG13 VAL 29 HG13 VAL 29 27.015 23.702 16.987
221 HG21 VAL 29 HG21 VAL 29 28.847 23.259 14.636
222 HG22 VAL 29 HG22 VAL 29 27.084 23.344 14.480
223 HG23 VAL 29 HG23 VAL 29 28.123 24.374 13.476
224 HA PRO 30 HA PRO 30 27.292 29.284 12.769
225 HB2 PRO 30 HB2 PRO 30 29.154 31.066 13.569
226 HB3 PRO 30 HB3 PRO 30 27.630 30.832 14.465
227 HG2 PRO 30 HG2 PRO 30 30.310 29.571 15.074
228 HG3 PRO 30 HG3 PRO 30 29.254 30.505 16.193
229 HD2 PRO 30 HD2 PRO 30 29.173 27.775 16.076
230 HD3 PRO 30 HD3 PRO 30 27.695 28.749 16.327
231 H HIS 31 H HIS 31 29.844 27.170 13.402
232 HA HIS 31 HA HIS 31 31.774 28.045 11.503
233 HB2 HIS 31 HB2 HIS 31 31.449 25.418 12.980
234 HB3 HIS 31 HB3 HIS 31 32.906 25.944 12.119
235 HD2 HIS 31 HD2 HIS 31 34.040 28.262 13.034
236 HE1 HIS 31 HE1 HIS 31 32.171 28.340 16.834
237 HE2 HIS 31 HE2 HIS 31 34.037 29.339 15.454
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 14.416 11.173 25.687
2 H2 ALA 1 H2 ALA 1 13.575 10.146 24.725
3 H3 ALA 1 H3 ALA 1 12.775 11.338 25.520
4 HA ALA 1 HA ALA 1 12.986 11.940 23.240
5 HB1 ALA 1 HB1 ALA 1 13.146 13.749 24.994
6 HB2 ALA 1 HB2 ALA 1 14.918 13.613 24.903
7 HB3 ALA 1 HB3 ALA 1 13.988 14.130 23.481
8 H PHE 2 H PHE 2 14.315 12.367 21.415
9 HA PHE 2 HA PHE 2 17.167 11.587 21.480
10 HB2 PHE 2 HB2 PHE 2 15.090 10.382 19.612
11 HB3 PHE 2 HB3 PHE 2 16.832 10.205 19.433
12 HD1 PHE 2 HD1 PHE 2 13.893 8.810 20.962
13 HD2 PHE 2 HD2 PHE 2 18.167 9.149 21.396
14 HE1 PHE 2 HE1 PHE 2 13.901 6.857 22.484
15 HE2 PHE 2 HE2 PHE 2 18.160 7.189 22.912
16 HZ PHE 2 HZ PHE 2 16.029 6.040 23.475
17 H CYS 3 H CYS 3 18.241 12.127 19.381
18 HA CYS 3 HA CYS 3 17.785 14.892 18.719
19 HB2 CYS 3 HB2 CYS 3 19.637 12.704 17.719
20 HB3 CYS 3 HB3 CYS 3 19.618 14.286 16.974
21 H ASN 4 H ASN 4 17.200 15.863 16.876
22 HA ASN 4 HA ASN 4 16.015 14.335 14.611
23 HB2 ASN 4 HB2 ASN 4 16.052 17.244 15.444
24 HB3 ASN 4 HB3 ASN 4 15.724 16.805 13.773
25 HD21 ASN 4 HD21 ASN 4 14.605 16.541 17.063
26 HD22 ASN 4 HD22 ASN 4 13.031 15.868 16.589
27 H LEU 5 H LEU 5 16.843 15.014 12.393
28 HA LEU 5 HA LEU 5 19.485 16.291 12.383
29 HB2 LEU 5 HB2 LEU 5 19.592 13.652 12.474
30 HB3 LEU 5 HB3 LEU 5 19.237 13.767 10.763
31 HG LEU 5 HG LEU 5 21.577 13.524 11.235
32 HD11 LEU 5 HD11 LEU 5 20.873 14.843 9.246
33 HD12 LEU 5 HD12 LEU 5 21.145 16.331 10.176
34 HD13 LEU 5 HD13 LEU 5 22.494 15.234 9.826
35 HD21 LEU 5 HD21 LEU 5 21.632 16.243 12.596
36 HD22 LEU 5 HD22 LEU 5 21.646 14.681 13.453
37 HD23 LEU 5 HD23 LEU 5 22.972 15.112 12.360
38 H ARG 6 H ARG 6 17.036 14.790 10.162
39 HA ARG 6 HA ARG 6 17.358 16.838 8.184
40 HB2 ARG 6 HB2 ARG 6 15.197 16.117 7.267
41 HB3 ARG 6 HB3 ARG 6 16.325 14.794 7.540
42 HG2 ARG 6 HG2 ARG 6 15.103 14.188 9.620
43 HG3 ARG 6 HG3 ARG 6 13.909 15.450 9.281
44 HD2 ARG 6 HD2 ARG 6 14.515 13.033 7.529
45 HD3 ARG 6 HD3 ARG 6 13.177 13.177 8.676
46 HE ARG 6 HE ARG 6 13.264 15.304 6.659
47 HH11 ARG 6 HH11 ARG 6 11.604 12.276 7.552
48 HH12 ARG 6 HH12 ARG 6 10.487 12.521 6.212
49 HH21 ARG 6 HH21 ARG 6 11.793 15.396 5.067
50 HH22 ARG 6 HH22 ARG 6 10.532 14.159 4.980
51 H ARG 7 H ARG 7 14.837 16.733 10.782
52 HA ARG 7 HA ARG 7 13.919 19.430 10.185
53 HB2 ARG 7 HB2 ARG 7 13.629 17.702 12.674
54 HB3 ARG 7 HB3 ARG 7 12.859 19.276 12.453
55 HG2 ARG 7 HG2 ARG 7 11.611 18.437 10.502
56 HG3 ARG 7 HG3 ARG 7 12.417 16.869 10.623
57 HD2 ARG 7 HD2 ARG 7 10.154 16.794 11.584
58 HD3 ARG 7 HD3 ARG 7 11.407 16.434 12.783
59 HE ARG 7 HE ARG 7 10.387 19.236 12.589
60 HH11 ARG 7 HH11 ARG 7 10.228 16.251 14.462
61 HH12 ARG 7 HH12 ARG 7 10.071 17.151 15.949
62 HH21 ARG 7 HH21 ARG 7 9.913 20.221 14.397
63 HH22 ARG 7 HH22 ARG 7 9.444 19.327 15.834
64 H CYS 8 H CYS 8 16.266 18.179 12.475
65 HA CYS 8 HA CYS 8 16.923 20.600 13.827
66 HB2 CYS 8 HB2 CYS 8 17.659 18.453 14.649
67 HB3 CYS 8 HB3 CYS 8 18.591 18.159 13.185
68 H GLU 9 H GLU 9 18.532 19.235 10.843
69 HA GLU 9 HA GLU 9 20.244 21.518 10.525
70 HB2 GLU 9 HB2 GLU 9 19.304 19.385 8.566
71 HB3 GLU 9 HB3 GLU 9 20.287 20.774 8.094
72 HG2 GLU 9 HG2 GLU 9 21.888 20.101 10.006
73 HG3 GLU 9 HG3 GLU 9 21.065 18.551 10.003
74 H LEU 10 H LEU 10 16.914 20.918 9.203
75 HA LEU 10 HA LEU 10 16.879 23.292 7.612
76 HB2 LEU 10 HB2 LEU 10 14.612 21.903 9.095
77 HB3 LEU 10 HB3 LEU 10 14.381 23.165 7.885
78 HG LEU 10 HG LEU 10 15.733 20.494 7.373
79 HD11 LEU 10 HD11 LEU 10 12.930 21.442 6.688
80 HD12 LEU 10 HD12 LEU 10 13.659 19.901 6.177
81 HD13 LEU 10 HD13 LEU 10 13.360 20.206 7.893
82 HD21 LEU 10 HD21 LEU 10 15.381 21.063 4.970
83 HD22 LEU 10 HD22 LEU 10 14.811 22.676 5.455
84 HD23 LEU 10 HD23 LEU 10 16.490 22.182 5.765
85 H SER 11 H SER 11 15.935 22.880 11.037
86 HA SER 11 HA SER 11 15.233 25.606 11.511
87 HB2 SER 11 HB2 SER 11 16.228 23.441 13.399
88 HB3 SER 11 HB3 SER 11 15.600 25.014 13.925
89 HG SER 11 HG SER 11 14.048 23.258 13.845
90 H CYS 12 H CYS 12 18.450 24.041 11.678
91 HA CYS 12 HA CYS 12 19.709 26.477 12.715
92 HB2 CYS 12 HB2 CYS 12 20.921 23.934 11.582
93 HB3 CYS 12 HB3 CYS 12 21.802 25.219 12.399
94 H ARG 13 H ARG 13 19.706 24.812 9.518
95 HA ARG 13 HA ARG 13 21.401 26.662 8.159
96 HB2 ARG 13 HB2 ARG 13 19.304 24.750 7.099
97 HB3 ARG 13 HB3 ARG 13 20.411 25.700 6.103
98 HG2 ARG 13 HG2 ARG 13 22.365 24.645 7.257
99 HG3 ARG 13 HG3 ARG 13 21.266 23.615 8.157
100 HD2 ARG 13 HD2 ARG 13 20.355 22.815 5.916
101 HD3 ARG 13 HD3 ARG 13 21.672 23.700 5.143
102 HE ARG 13 HE ARG 13 21.836 21.225 6.731
103 HH11 ARG 13 HH11 ARG 13 23.908 23.696 5.222
104 HH12 ARG 13 HH12 ARG 13 25.252 22.567 5.267
105 HH21 ARG 13 HH21 ARG 13 23.554 19.958 6.585
106 HH22 ARG 13 HH22 ARG 13 25.089 20.597 6.005
107 H SER 14 H SER 14 18.028 26.919 9.062
108 HA SER 14 HA SER 14 17.217 29.005 7.298
109 HB2 SER 14 HB2 SER 14 15.808 27.625 8.970
110 HB3 SER 14 HB3 SER 14 16.340 28.785 10.194
111 HG SER 14 HG SER 14 14.812 29.158 7.841
112 H LEU 15 H LEU 15 19.416 29.148 10.067
113 HA LEU 15 HA LEU 15 19.592 32.118 9.814
114 HB2 LEU 15 HB2 LEU 15 20.337 30.290 12.118
115 HB3 LEU 15 HB3 LEU 15 20.568 32.040 12.090
116 HG LEU 15 HG LEU 15 17.870 30.625 11.950
117 HD11 LEU 15 HD11 LEU 15 19.243 32.076 14.255
118 HD12 LEU 15 HD12 LEU 15 17.587 31.432 14.264
119 HD13 LEU 15 HD13 LEU 15 18.963 30.324 14.133
120 HD21 LEU 15 HD21 LEU 15 16.938 32.875 12.447
121 HD22 LEU 15 HD22 LEU 15 18.564 33.578 12.313
122 HD23 LEU 15 HD23 LEU 15 17.776 32.853 10.895
123 H GLY 16 H GLY 16 20.861 29.774 8.233
124 HA2 GLY 16 HA2 GLY 16 22.846 29.398 7.146
125 HA3 GLY 16 HA3 GLY 16 23.466 30.913 7.811
126 H LEU 17 H LEU 17 22.367 28.445 10.051
127 HA LEU 17 HA LEU 17 25.138 27.966 11.010
128 HB2 LEU 17 HB2 LEU 17 22.541 27.038 12.219
129 HB3 LEU 17 HB3 LEU 17 24.079 27.091 13.026
130 HG LEU 17 HG LEU 17 22.453 29.454 12.120
131 HD11 LEU 17 HD11 LEU 17 22.823 28.561 14.978
132 HD12 LEU 17 HD12 LEU 17 21.859 29.913 14.384
133 HD13 LEU 17 HD13 LEU 17 21.356 28.267 13.991
134 HD21 LEU 17 HD21 LEU 17 24.012 30.756 13.574
135 HD22 LEU 17 HD22 LEU 17 24.904 29.242 13.906
136 HD23 LEU 17 HD23 LEU 17 24.871 29.939 12.259
137 H LEU 18 H LEU 18 25.681 25.803 11.683
138 HA LEU 18 HA LEU 18 24.630 23.620 9.911
139 HB2 LEU 18 HB2 LEU 18 27.123 23.800 11.634
140 HB3 LEU 18 HB3 LEU 18 26.602 22.324 10.814
141 HG LEU 18 HG LEU 18 27.162 24.914 9.344
142 HD11 LEU 18 HD11 LEU 18 29.197 24.164 10.520
143 HD12 LEU 18 HD12 LEU 18 29.015 22.542 9.803
144 HD13 LEU 18 HD13 LEU 18 29.350 23.947 8.771
145 HD21 LEU 18 HD21 LEU 18 27.003 22.041 8.360
146 HD22 LEU 18 HD22 LEU 18 25.799 23.314 8.059
147 HD23 LEU 18 HD23 LEU 18 27.425 23.458 7.375
148 H GLY 19 H GLY 19 23.727 21.839 10.784
149 HA2 GLY 19 HA2 GLY 19 22.816 22.004 13.655
150 HA3 GLY 19 HA3 GLY 19 21.889 21.252 12.360
151 H LYS 20 H LYS 20 23.390 20.380 15.024
152 HA LYS 20 HA LYS 20 24.081 17.704 14.053
153 HB2 LYS 20 HB2 LYS 20 26.343 17.658 14.940
154 HB3 LYS 20 HB3 LYS 20 26.166 18.794 13.613
155 HG2 LYS 20 HG2 LYS 20 26.035 19.892 16.395
156 HG3 LYS 20 HG3 LYS 20 27.592 19.335 15.791
157 HD2 LYS 20 HD2 LYS 20 25.811 21.334 14.389
158 HD3 LYS 20 HD3 LYS 20 27.192 21.761 15.403
159 HE2 LYS 20 HE2 LYS 20 27.210 20.360 12.694
160 HE3 LYS 20 HE3 LYS 20 27.750 21.996 13.054
161 HZ1 LYS 20 HZ1 LYS 20 29.496 20.943 14.492
162 HZ2 LYS 20 HZ2 LYS 20 29.045 19.473 13.886
163 HZ3 LYS 20 HZ3 LYS 20 29.651 20.605 12.882
164 H CYS 21 H CYS 21 24.436 16.145 15.664
165 HA CYS 21 HA CYS 21 22.606 16.609 17.938
166 HB2 CYS 21 HB2 CYS 21 22.200 14.752 16.418
167 HB3 CYS 21 HB3 CYS 21 23.821 14.139 16.683
168 H ILE 22 H ILE 22 23.202 16.781 20.034
169 HA ILE 22 HA ILE 22 25.986 16.436 20.919
170 HB ILE 22 HB ILE 22 23.399 16.953 22.421
171 HG12 ILE 22 HG12 ILE 22 25.709 18.886 21.980
172 HG13 ILE 22 HG13 ILE 22 24.364 18.777 20.846
173 HG21 ILE 22 HG21 ILE 22 26.275 16.912 23.441
174 HG22 ILE 22 HG22 ILE 22 24.898 17.541 24.366
175 HG23 ILE 22 HG23 ILE 22 24.964 15.837 23.951
176 HD11 ILE 22 HD11 ILE 22 24.008 20.605 22.433
177 HD12 ILE 22 HD12 ILE 22 22.748 19.371 22.579
178 HD13 ILE 22 HD13 ILE 22 24.044 19.485 23.792
179 H GLY 23 H GLY 23 23.012 14.540 21.035
180 HA2 GLY 23 HA2 GLY 23 24.051 11.984 21.020
181 HA3 GLY 23 HA3 GLY 23 23.997 12.403 22.744
182 H GLU 24 H GLU 24 21.726 13.968 22.807
183 HA GLU 24 HA GLU 24 19.461 12.732 21.391
184 HB2 GLU 24 HB2 GLU 24 18.118 12.392 23.343
185 HB3 GLU 24 HB3 GLU 24 19.498 11.296 23.271
186 HG2 GLU 24 HG2 GLU 24 19.462 13.858 24.945
187 HG3 GLU 24 HG3 GLU 24 18.858 12.308 25.484
188 H GLU 25 H GLU 25 21.021 15.483 22.161
189 HA GLU 25 HA GLU 25 18.576 17.128 21.807
190 HB2 GLU 25 HB2 GLU 25 19.576 17.381 24.062
191 HB3 GLU 25 HB3 GLU 25 21.114 17.791 23.318
192 HG2 GLU 25 HG2 GLU 25 20.243 19.847 23.938
193 HG3 GLU 25 HG3 GLU 25 19.906 19.785 22.218
194 H CYS 26 H CYS 26 18.546 18.405 20.017
195 HA CYS 26 HA CYS 26 20.769 18.491 18.122
196 HB2 CYS 26 HB2 CYS 26 18.533 18.431 17.254
197 HB3 CYS 26 HB3 CYS 26 18.027 19.753 18.290
198 H LYS 27 H LYS 27 22.183 20.094 17.695
199 HA LYS 27 HA LYS 27 22.067 22.715 19.136
200 HB2 LYS 27 HB2 LYS 27 23.688 21.458 20.316
201 HB3 LYS 27 HB3 LYS 27 24.351 20.733 18.851
202 HG2 LYS 27 HG2 LYS 27 25.357 22.821 18.162
203 HG3 LYS 27 HG3 LYS 27 24.592 23.690 19.495
204 HD2 LYS 27 HD2 LYS 27 26.523 21.388 19.948
205 HD3 LYS 27 HD3 LYS 27 27.100 23.033 19.695
206 HE2 LYS 27 HE2 LYS 27 25.052 22.392 21.850
207 HE3 LYS 27 HE3 LYS 27 26.791 22.200 22.128
208 HZ1 LYS 27 HZ1 LYS 27 25.518 24.756 21.306
209 HZ2 LYS 27 HZ2 LYS 27 25.957 24.355 22.841
210 HZ3 LYS 27 HZ3 LYS 27 27.100 24.537 21.665
211 H CYS 28 H CYS 28 22.597 24.483 17.979
212 HA CYS 28 HA CYS 28 23.352 24.144 15.112
213 HB2 CYS 28 HB2 CYS 28 22.216 26.596 16.452
214 HB3 CYS 28 HB3 CYS 28 22.592 26.399 14.751
215 H VAL 29 H VAL 29 25.061 25.508 14.241
216 HA VAL 29 HA VAL 29 26.651 27.137 16.110
217 HB VAL 29 HB VAL 29 28.789 26.145 15.494
218 HG11 VAL 29 HG11 VAL 29 27.689 25.474 17.614
219 HG12 VAL 29 HG12 VAL 29 27.025 24.044 16.788
220 HG13 VAL 29 HG13 VAL 29 28.779 24.243 16.960
221 HG21 VAL 29 HG21 VAL 29 28.338 25.016 13.402
222 HG22 VAL 29 HG22 VAL 29 28.888 23.822 14.575
223 HG23 VAL 29 HG23 VAL 29 27.158 23.940 14.184
224 HA PRO 30 HA PRO 30 27.045 29.386 12.257
225 HB2 PRO 30 HB2 PRO 30 28.493 31.532 13.041
226 HB3 PRO 30 HB3 PRO 30 26.891 31.192 13.761
227 HG2 PRO 30 HG2 PRO 30 29.623 30.505 14.892
228 HG3 PRO 30 HG3 PRO 30 28.253 31.306 15.723
229 HD2 PRO 30 HD2 PRO 30 28.766 28.591 15.879
230 HD3 PRO 30 HD3 PRO 30 27.125 29.277 16.007
231 H HIS 31 H HIS 31 29.761 27.984 13.723
232 HA HIS 31 HA HIS 31 31.930 29.094 12.323
233 HB2 HIS 31 HB2 HIS 31 31.791 26.368 13.640
234 HB3 HIS 31 HB3 HIS 31 33.261 27.281 13.290
235 HD2 HIS 31 HD2 HIS 31 31.396 26.423 16.180
236 HE1 HIS 31 HE1 HIS 31 32.343 30.502 16.978
237 HE2 HIS 31 HE2 HIS 31 31.578 28.313 18.024
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 14.405 10.081 25.274
2 H2 ALA 1 H2 ALA 1 14.462 11.228 26.424
3 H3 ALA 1 H3 ALA 1 15.848 10.469 25.989
4 HA ALA 1 HA ALA 1 14.216 12.250 24.300
5 HB1 ALA 1 HB1 ALA 1 15.434 13.468 26.081
6 HB2 ALA 1 HB2 ALA 1 16.959 12.718 25.558
7 HB3 ALA 1 HB3 ALA 1 16.101 13.840 24.479
8 H PHE 2 H PHE 2 15.106 12.713 22.171
9 HA PHE 2 HA PHE 2 17.379 11.097 21.212
10 HB2 PHE 2 HB2 PHE 2 14.579 10.954 20.028
11 HB3 PHE 2 HB3 PHE 2 16.030 10.413 19.199
12 HD1 PHE 2 HD1 PHE 2 13.485 9.487 21.629
13 HD2 PHE 2 HD2 PHE 2 17.410 8.529 20.126
14 HE1 PHE 2 HE1 PHE 2 13.320 7.212 22.602
15 HE2 PHE 2 HE2 PHE 2 17.225 6.256 21.088
16 HZ PHE 2 HZ PHE 2 15.172 5.584 22.331
17 H CYS 3 H CYS 3 18.448 11.963 19.463
18 HA CYS 3 HA CYS 3 18.164 14.786 18.928
19 HB2 CYS 3 HB2 CYS 3 19.834 12.520 17.829
20 HB3 CYS 3 HB3 CYS 3 19.863 14.089 17.046
21 H ASN 4 H ASN 4 17.627 15.896 17.020
22 HA ASN 4 HA ASN 4 16.203 14.427 14.848
23 HB2 ASN 4 HB2 ASN 4 16.444 17.349 15.699
24 HB3 ASN 4 HB3 ASN 4 15.904 16.903 14.088
25 HD21 ASN 4 HD21 ASN 4 12.766 15.669 15.115
26 HD22 ASN 4 HD22 ASN 4 13.982 15.636 13.842
27 H LEU 5 H LEU 5 16.932 15.463 12.623
28 HA LEU 5 HA LEU 5 19.668 16.463 12.641
29 HB2 LEU 5 HB2 LEU 5 19.443 13.751 12.154
30 HB3 LEU 5 HB3 LEU 5 19.397 14.403 10.520
31 HG LEU 5 HG LEU 5 21.497 15.013 12.652
32 HD11 LEU 5 HD11 LEU 5 23.009 13.630 11.299
33 HD12 LEU 5 HD12 LEU 5 21.608 12.688 11.830
34 HD13 LEU 5 HD13 LEU 5 21.694 13.283 10.155
35 HD21 LEU 5 HD21 LEU 5 21.323 16.893 11.069
36 HD22 LEU 5 HD22 LEU 5 22.821 16.005 10.813
37 HD23 LEU 5 HD23 LEU 5 21.460 15.765 9.699
38 H ARG 6 H ARG 6 17.312 15.272 10.174
39 HA ARG 6 HA ARG 6 17.670 17.526 8.487
40 HB2 ARG 6 HB2 ARG 6 16.618 15.321 7.877
41 HB3 ARG 6 HB3 ARG 6 15.165 15.801 8.742
42 HG2 ARG 6 HG2 ARG 6 14.972 16.095 6.293
43 HG3 ARG 6 HG3 ARG 6 14.742 17.608 7.162
44 HD2 ARG 6 HD2 ARG 6 16.093 17.866 5.081
45 HD3 ARG 6 HD3 ARG 6 16.928 18.405 6.523
46 HE ARG 6 HE ARG 6 18.367 16.524 6.476
47 HH11 ARG 6 HH11 ARG 6 16.362 16.488 3.559
48 HH12 ARG 6 HH12 ARG 6 17.518 15.449 2.737
49 HH21 ARG 6 HH21 ARG 6 19.768 15.336 5.302
50 HH22 ARG 6 HH22 ARG 6 19.464 14.990 3.635
51 H ARG 7 H ARG 7 15.149 17.080 10.997
52 HA ARG 7 HA ARG 7 13.855 19.643 10.611
53 HB2 ARG 7 HB2 ARG 7 12.996 17.576 11.872
54 HB3 ARG 7 HB3 ARG 7 14.051 18.062 13.198
55 HG2 ARG 7 HG2 ARG 7 12.825 20.288 13.241
56 HG3 ARG 7 HG3 ARG 7 11.683 19.620 12.071
57 HD2 ARG 7 HD2 ARG 7 12.305 18.446 14.815
58 HD3 ARG 7 HD3 ARG 7 10.948 19.528 14.483
59 HE ARG 7 HE ARG 7 10.478 17.520 12.688
60 HH11 ARG 7 HH11 ARG 7 11.128 17.327 16.144
61 HH12 ARG 7 HH12 ARG 7 10.324 15.792 16.295
62 HH21 ARG 7 HH21 ARG 7 9.054 15.842 13.087
63 HH22 ARG 7 HH22 ARG 7 9.211 14.959 14.583
64 H CYS 8 H CYS 8 16.621 18.652 12.476
65 HA CYS 8 HA CYS 8 16.983 21.090 14.004
66 HB2 CYS 8 HB2 CYS 8 17.790 18.849 14.770
67 HB3 CYS 8 HB3 CYS 8 18.859 18.783 13.366
68 H GLU 9 H GLU 9 18.684 19.728 11.120
69 HA GLU 9 HA GLU 9 20.391 21.907 10.527
70 HB2 GLU 9 HB2 GLU 9 19.063 19.781 8.808
71 HB3 GLU 9 HB3 GLU 9 20.268 20.891 8.173
72 HG2 GLU 9 HG2 GLU 9 21.023 19.345 10.654
73 HG3 GLU 9 HG3 GLU 9 20.858 18.446 9.149
74 H LEU 10 H LEU 10 17.005 21.331 9.510
75 HA LEU 10 HA LEU 10 16.753 23.670 7.854
76 HB2 LEU 10 HB2 LEU 10 14.747 21.953 9.370
77 HB3 LEU 10 HB3 LEU 10 14.258 23.250 8.283
78 HG LEU 10 HG LEU 10 16.001 20.928 7.439
79 HD11 LEU 10 HD11 LEU 10 13.838 20.047 8.161
80 HD12 LEU 10 HD12 LEU 10 12.986 21.252 7.180
81 HD13 LEU 10 HD13 LEU 10 13.948 19.981 6.396
82 HD21 LEU 10 HD21 LEU 10 15.261 21.569 5.150
83 HD22 LEU 10 HD22 LEU 10 14.405 22.968 5.841
84 HD23 LEU 10 HD23 LEU 10 16.179 22.851 5.942
85 H SER 11 H SER 11 16.095 23.159 11.305
86 HA SER 11 HA SER 11 15.198 25.848 11.899
87 HB2 SER 11 HB2 SER 11 14.929 24.164 13.621
88 HB3 SER 11 HB3 SER 11 16.661 23.834 13.640
89 HG SER 11 HG SER 11 15.265 26.008 14.745
90 H CYS 12 H CYS 12 18.472 24.380 11.940
91 HA CYS 12 HA CYS 12 19.839 26.793 12.545
92 HB2 CYS 12 HB2 CYS 12 20.771 24.224 11.234
93 HB3 CYS 12 HB3 CYS 12 21.829 25.451 11.889
94 H ARG 13 H ARG 13 18.935 25.471 9.364
95 HA ARG 13 HA ARG 13 20.438 27.184 7.682
96 HB2 ARG 13 HB2 ARG 13 18.952 25.188 7.060
97 HB3 ARG 13 HB3 ARG 13 17.573 26.283 7.183
98 HG2 ARG 13 HG2 ARG 13 18.544 27.702 5.370
99 HG3 ARG 13 HG3 ARG 13 19.958 26.645 5.326
100 HD2 ARG 13 HD2 ARG 13 18.552 26.010 3.503
101 HD3 ARG 13 HD3 ARG 13 18.472 24.719 4.712
102 HE ARG 13 HE ARG 13 16.358 26.662 5.090
103 HH11 ARG 13 HH11 ARG 13 17.091 23.984 2.893
104 HH12 ARG 13 HH12 ARG 13 15.374 23.725 2.614
105 HH21 ARG 13 HH21 ARG 13 14.273 26.169 4.686
106 HH22 ARG 13 HH22 ARG 13 13.873 24.875 3.570
107 H SER 14 H SER 14 17.459 27.892 9.488
108 HA SER 14 HA SER 14 17.018 30.481 8.346
109 HB2 SER 14 HB2 SER 14 16.132 29.411 11.030
110 HB3 SER 14 HB3 SER 14 15.464 30.826 10.194
111 HG SER 14 HG SER 14 14.789 29.500 8.517
112 H LEU 15 H LEU 15 19.678 29.609 10.339
113 HA LEU 15 HA LEU 15 20.137 32.511 10.835
114 HB2 LEU 15 HB2 LEU 15 20.886 30.117 12.549
115 HB3 LEU 15 HB3 LEU 15 21.498 31.747 12.823
116 HG LEU 15 HG LEU 15 18.546 30.988 12.915
117 HD11 LEU 15 HD11 LEU 15 19.813 29.855 14.692
118 HD12 LEU 15 HD12 LEU 15 20.539 31.401 15.184
119 HD13 LEU 15 HD13 LEU 15 18.792 31.132 15.362
120 HD21 LEU 15 HD21 LEU 15 20.042 33.493 13.825
121 HD22 LEU 15 HD22 LEU 15 18.900 33.392 12.464
122 HD23 LEU 15 HD23 LEU 15 18.317 33.158 14.112
123 H GLY 16 H GLY 16 20.871 30.208 8.736
124 HA2 GLY 16 HA2 GLY 16 22.627 29.814 7.307
125 HA3 GLY 16 HA3 GLY 16 23.500 31.171 8.026
126 H LEU 17 H LEU 17 22.375 28.385 9.915
127 HA LEU 17 HA LEU 17 25.196 27.616 10.492
128 HB2 LEU 17 HB2 LEU 17 22.806 27.093 12.250
129 HB3 LEU 17 HB3 LEU 17 24.497 26.918 12.682
130 HG LEU 17 HG LEU 17 23.077 29.502 12.089
131 HD11 LEU 17 HD11 LEU 17 22.159 28.529 14.147
132 HD12 LEU 17 HD12 LEU 17 23.815 28.461 14.831
133 HD13 LEU 17 HD13 LEU 17 23.059 30.014 14.445
134 HD21 LEU 17 HD21 LEU 17 25.720 28.882 13.417
135 HD22 LEU 17 HD22 LEU 17 25.525 29.547 11.763
136 HD23 LEU 17 HD23 LEU 17 25.041 30.524 13.161
137 H LEU 18 H LEU 18 25.542 25.424 11.069
138 HA LEU 18 HA LEU 18 23.760 23.407 9.753
139 HB2 LEU 18 HB2 LEU 18 26.719 23.375 10.451
140 HB3 LEU 18 HB3 LEU 18 25.784 21.891 10.311
141 HG LEU 18 HG LEU 18 25.061 22.616 7.995
142 HD11 LEU 18 HD11 LEU 18 26.612 24.177 6.803
143 HD12 LEU 18 HD12 LEU 18 25.594 24.987 7.993
144 HD13 LEU 18 HD13 LEU 18 27.296 24.640 8.380
145 HD21 LEU 18 HD21 LEU 18 27.102 21.846 6.927
146 HD22 LEU 18 HD22 LEU 18 28.032 22.190 8.401
147 HD23 LEU 18 HD23 LEU 18 26.796 20.911 8.395
148 H GLY 19 H GLY 19 23.065 21.651 10.939
149 HA2 GLY 19 HA2 GLY 19 22.846 22.031 13.902
150 HA3 GLY 19 HA3 GLY 19 21.795 21.031 12.901
151 H LYS 20 H LYS 20 23.593 20.515 15.330
152 HA LYS 20 HA LYS 20 24.883 17.999 14.357
153 HB2 LYS 20 HB2 LYS 20 26.100 19.936 16.376
154 HB3 LYS 20 HB3 LYS 20 26.783 18.391 15.873
155 HG2 LYS 20 HG2 LYS 20 26.435 20.831 14.087
156 HG3 LYS 20 HG3 LYS 20 27.928 20.333 14.883
157 HD2 LYS 20 HD2 LYS 20 27.988 18.250 13.580
158 HD3 LYS 20 HD3 LYS 20 26.447 18.661 12.800
159 HE2 LYS 20 HE2 LYS 20 27.558 20.855 12.066
160 HE3 LYS 20 HE3 LYS 20 29.092 20.165 12.600
161 HZ1 LYS 20 HZ1 LYS 20 27.305 19.102 10.484
162 HZ2 LYS 20 HZ2 LYS 20 28.779 19.792 10.285
163 HZ3 LYS 20 HZ3 LYS 20 28.676 18.318 11.020
164 H CYS 21 H CYS 21 24.468 16.265 15.568
165 HA CYS 21 HA CYS 21 22.745 16.471 17.937
166 HB2 CYS 21 HB2 CYS 21 22.404 14.683 16.351
167 HB3 CYS 21 HB3 CYS 21 24.057 14.147 16.545
168 H ILE 22 H ILE 22 23.259 16.362 20.031
169 HA ILE 22 HA ILE 22 26.004 15.531 20.863
170 HB ILE 22 HB ILE 22 24.301 17.584 22.271
171 HG12 ILE 22 HG12 ILE 22 26.694 17.937 20.412
172 HG13 ILE 22 HG13 ILE 22 25.058 18.557 20.171
173 HG21 ILE 22 HG21 ILE 22 26.275 17.925 23.685
174 HG22 ILE 22 HG22 ILE 22 25.873 16.220 23.716
175 HG23 ILE 22 HG23 ILE 22 27.217 16.777 22.706
176 HD11 ILE 22 HD11 ILE 22 26.438 20.385 20.823
177 HD12 ILE 22 HD12 ILE 22 25.366 20.016 22.196
178 HD13 ILE 22 HD13 ILE 22 27.074 19.518 22.221
179 H GLY 23 H GLY 23 25.064 13.465 20.749
180 HA2 GLY 23 HA2 GLY 23 24.607 11.509 21.873
181 HA3 GLY 23 HA3 GLY 23 24.312 12.448 23.336
182 H GLU 24 H GLU 24 22.165 13.903 22.902
183 HA GLU 24 HA GLU 24 19.946 12.197 21.855
184 HB2 GLU 24 HB2 GLU 24 18.806 12.083 23.957
185 HB3 GLU 24 HB3 GLU 24 20.447 11.487 24.197
186 HG2 GLU 24 HG2 GLU 24 21.083 13.770 25.087
187 HG3 GLU 24 HG3 GLU 24 19.386 14.243 24.968
188 H GLU 25 H GLU 25 21.195 15.280 22.018
189 HA GLU 25 HA GLU 25 18.636 16.376 21.074
190 HB2 GLU 25 HB2 GLU 25 18.599 16.978 23.428
191 HB3 GLU 25 HB3 GLU 25 20.251 17.561 23.346
192 HG2 GLU 25 HG2 GLU 25 18.891 19.464 23.450
193 HG3 GLU 25 HG3 GLU 25 19.480 19.401 21.789
194 H CYS 26 H CYS 26 18.874 17.647 19.329
195 HA CYS 26 HA CYS 26 21.630 18.209 18.393
196 HB2 CYS 26 HB2 CYS 26 20.177 16.873 16.982
197 HB3 CYS 26 HB3 CYS 26 18.971 18.142 16.945
198 H LYS 27 H LYS 27 22.417 20.172 17.938
199 HA LYS 27 HA LYS 27 20.755 22.625 18.246
200 HB2 LYS 27 HB2 LYS 27 22.327 23.689 19.699
201 HB3 LYS 27 HB3 LYS 27 21.717 22.219 20.460
202 HG2 LYS 27 HG2 LYS 27 23.824 21.058 20.049
203 HG3 LYS 27 HG3 LYS 27 24.400 22.372 19.020
204 HD2 LYS 27 HD2 LYS 27 25.489 22.592 21.136
205 HD3 LYS 27 HD3 LYS 27 24.351 23.931 20.946
206 HE2 LYS 27 HE2 LYS 27 22.739 22.846 22.428
207 HE3 LYS 27 HE3 LYS 27 23.732 21.386 22.513
208 HZ1 LYS 27 HZ1 LYS 27 25.444 22.682 23.653
209 HZ2 LYS 27 HZ2 LYS 27 24.551 24.055 23.520
210 HZ3 LYS 27 HZ3 LYS 27 24.012 22.826 24.463
211 H CYS 28 H CYS 28 21.832 24.592 17.443
212 HA CYS 28 HA CYS 28 23.306 24.029 14.975
213 HB2 CYS 28 HB2 CYS 28 22.636 26.742 16.123
214 HB3 CYS 28 HB3 CYS 28 23.083 26.354 14.484
215 H VAL 29 H VAL 29 25.240 25.289 14.344
216 HA VAL 29 HA VAL 29 27.089 25.837 16.593
217 HB VAL 29 HB VAL 29 28.842 24.455 15.763
218 HG11 VAL 29 HG11 VAL 29 28.072 22.289 16.436
219 HG12 VAL 29 HG12 VAL 29 27.292 23.513 17.437
220 HG13 VAL 29 HG13 VAL 29 26.378 22.726 16.129
221 HG21 VAL 29 HG21 VAL 29 26.905 23.328 13.703
222 HG22 VAL 29 HG22 VAL 29 28.339 24.321 13.353
223 HG23 VAL 29 HG23 VAL 29 28.539 22.720 14.056
224 HA PRO 30 HA PRO 30 28.165 29.191 14.056
225 HB2 PRO 30 HB2 PRO 30 30.485 30.092 15.177
226 HB3 PRO 30 HB3 PRO 30 28.932 30.070 16.056
227 HG2 PRO 30 HG2 PRO 30 31.131 27.971 16.153
228 HG3 PRO 30 HG3 PRO 30 30.353 28.825 17.528
229 HD2 PRO 30 HD2 PRO 30 29.491 26.386 16.727
230 HD3 PRO 30 HD3 PRO 30 28.326 27.639 17.248
231 H HIS 31 H HIS 31 29.851 26.368 13.678
232 HA HIS 31 HA HIS 31 32.298 27.164 12.504
233 HB2 HIS 31 HB2 HIS 31 30.852 24.513 12.220
234 HB3 HIS 31 HB3 HIS 31 32.548 24.814 11.812
235 HD2 HIS 31 HD2 HIS 31 34.014 25.946 14.011
236 HE1 HIS 31 HE1 HIS 31 31.466 24.343 17.008
237 HE2 HIS 31 HE2 HIS 31 33.655 25.554 16.596
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 15.559 13.137 24.236
2 H2 ALA 1 H2 ALA 1 16.031 14.136 25.453
3 H3 ALA 1 H3 ALA 1 16.978 13.954 24.120
4 HA ALA 1 HA ALA 1 14.328 15.216 24.187
5 HB1 ALA 1 HB1 ALA 1 15.750 17.278 23.602
6 HB2 ALA 1 HB2 ALA 1 15.918 16.659 25.245
7 HB3 ALA 1 HB3 ALA 1 17.163 16.325 24.034
8 H PHE 2 H PHE 2 14.515 16.808 21.937
9 HA PHE 2 HA PHE 2 14.297 14.887 19.769
10 HB2 PHE 2 HB2 PHE 2 14.245 17.904 19.740
11 HB3 PHE 2 HB3 PHE 2 13.756 16.860 18.418
12 HD1 PHE 2 HD1 PHE 2 12.142 14.781 20.069
13 HD2 PHE 2 HD2 PHE 2 12.207 19.091 20.063
14 HE1 PHE 2 HE1 PHE 2 9.807 14.815 20.877
15 HE2 PHE 2 HE2 PHE 2 9.861 19.126 20.867
16 HZ PHE 2 HZ PHE 2 8.662 16.987 21.283
17 H CYS 3 H CYS 3 16.282 13.920 19.648
18 HA CYS 3 HA CYS 3 18.662 15.309 18.649
19 HB2 CYS 3 HB2 CYS 3 18.687 13.392 20.218
20 HB3 CYS 3 HB3 CYS 3 17.938 12.396 18.998
21 H ASN 4 H ASN 4 16.865 16.166 16.869
22 HA ASN 4 HA ASN 4 16.742 14.420 14.503
23 HB2 ASN 4 HB2 ASN 4 15.949 17.303 15.096
24 HB3 ASN 4 HB3 ASN 4 16.021 16.694 13.449
25 HD21 ASN 4 HD21 ASN 4 14.650 14.904 12.828
26 HD22 ASN 4 HD22 ASN 4 13.138 14.670 13.710
27 H LEU 5 H LEU 5 17.756 15.140 12.471
28 HA LEU 5 HA LEU 5 20.218 16.750 12.777
29 HB2 LEU 5 HB2 LEU 5 20.699 14.254 13.007
30 HB3 LEU 5 HB3 LEU 5 20.211 14.071 11.334
31 HG LEU 5 HG LEU 5 22.597 14.112 11.527
32 HD11 LEU 5 HD11 LEU 5 23.253 15.780 9.950
33 HD12 LEU 5 HD12 LEU 5 21.630 15.238 9.515
34 HD13 LEU 5 HD13 LEU 5 21.865 16.805 10.330
35 HD21 LEU 5 HD21 LEU 5 23.876 15.975 12.388
36 HD22 LEU 5 HD22 LEU 5 22.387 16.872 12.752
37 HD23 LEU 5 HD23 LEU 5 22.755 15.378 13.628
38 H ARG 6 H ARG 6 18.665 14.870 10.147
39 HA ARG 6 HA ARG 6 19.101 16.735 8.096
40 HB2 ARG 6 HB2 ARG 6 18.315 14.263 8.017
41 HB3 ARG 6 HB3 ARG 6 16.685 14.898 8.255
42 HG2 ARG 6 HG2 ARG 6 17.226 16.419 6.192
43 HG3 ARG 6 HG3 ARG 6 18.624 15.368 5.950
44 HD2 ARG 6 HD2 ARG 6 16.830 14.576 4.533
45 HD3 ARG 6 HD3 ARG 6 17.023 13.405 5.839
46 HE ARG 6 HE ARG 6 14.903 13.988 6.660
47 HH11 ARG 6 HH11 ARG 6 15.738 16.531 4.299
48 HH12 ARG 6 HH12 ARG 6 14.160 17.259 4.537
49 HH21 ARG 6 HH21 ARG 6 13.035 14.950 6.765
50 HH22 ARG 6 HH22 ARG 6 12.720 16.441 5.847
51 H ARG 7 H ARG 7 16.316 16.558 10.307
52 HA ARG 7 HA ARG 7 15.011 18.941 9.119
53 HB2 ARG 7 HB2 ARG 7 14.302 17.203 11.521
54 HB3 ARG 7 HB3 ARG 7 13.352 18.563 10.913
55 HG2 ARG 7 HG2 ARG 7 13.161 17.388 8.681
56 HG3 ARG 7 HG3 ARG 7 14.004 15.998 9.381
57 HD2 ARG 7 HD2 ARG 7 11.607 15.596 9.432
58 HD3 ARG 7 HD3 ARG 7 12.219 15.778 11.090
59 HE ARG 7 HE ARG 7 11.390 18.336 10.149
60 HH11 ARG 7 HH11 ARG 7 9.725 15.319 10.969
61 HH12 ARG 7 HH12 ARG 7 8.298 16.249 11.453
62 HH21 ARG 7 HH21 ARG 7 9.692 19.306 11.064
63 HH22 ARG 7 HH22 ARG 7 8.264 18.338 11.439
64 H CYS 8 H CYS 8 17.020 18.210 11.921
65 HA CYS 8 HA CYS 8 16.575 20.660 13.346
66 HB2 CYS 8 HB2 CYS 8 17.630 18.726 14.409
67 HB3 CYS 8 HB3 CYS 8 18.972 18.794 13.255
68 H GLU 9 H GLU 9 18.881 19.831 10.720
69 HA GLU 9 HA GLU 9 20.287 22.251 10.440
70 HB2 GLU 9 HB2 GLU 9 19.154 20.342 8.369
71 HB3 GLU 9 HB3 GLU 9 20.237 21.678 7.956
72 HG2 GLU 9 HG2 GLU 9 22.042 20.757 9.245
73 HG3 GLU 9 HG3 GLU 9 21.024 19.496 9.922
74 H LEU 10 H LEU 10 16.892 21.645 9.584
75 HA LEU 10 HA LEU 10 16.623 24.062 7.975
76 HB2 LEU 10 HB2 LEU 10 14.392 22.344 9.095
77 HB3 LEU 10 HB3 LEU 10 14.348 23.407 7.699
78 HG LEU 10 HG LEU 10 15.885 20.778 7.923
79 HD11 LEU 10 HD11 LEU 10 13.462 21.545 6.251
80 HD12 LEU 10 HD12 LEU 10 14.300 19.980 6.233
81 HD13 LEU 10 HD13 LEU 10 13.453 20.506 7.693
82 HD21 LEU 10 HD21 LEU 10 17.107 22.347 6.434
83 HD22 LEU 10 HD22 LEU 10 16.370 21.023 5.533
84 HD23 LEU 10 HD23 LEU 10 15.607 22.623 5.516
85 H SER 11 H SER 11 16.164 23.271 11.384
86 HA SER 11 HA SER 11 14.872 25.837 12.068
87 HB2 SER 11 HB2 SER 11 16.259 23.696 13.732
88 HB3 SER 11 HB3 SER 11 15.547 25.168 14.409
89 HG SER 11 HG SER 11 13.623 24.428 14.136
90 H CYS 12 H CYS 12 18.165 24.438 12.150
91 HA CYS 12 HA CYS 12 19.496 26.773 13.151
92 HB2 CYS 12 HB2 CYS 12 20.469 24.374 11.559
93 HB3 CYS 12 HB3 CYS 12 21.518 25.532 12.349
94 H ARG 13 H ARG 13 18.501 25.894 9.898
95 HA ARG 13 HA ARG 13 19.991 27.567 8.248
96 HB2 ARG 13 HB2 ARG 13 18.225 25.865 7.639
97 HB3 ARG 13 HB3 ARG 13 16.990 27.053 8.062
98 HG2 ARG 13 HG2 ARG 13 17.664 28.496 6.225
99 HG3 ARG 13 HG3 ARG 13 19.136 27.561 5.973
100 HD2 ARG 13 HD2 ARG 13 17.585 26.969 4.246
101 HD3 ARG 13 HD3 ARG 13 17.814 25.591 5.326
102 HE ARG 13 HE ARG 13 15.488 27.174 6.066
103 HH11 ARG 13 HH11 ARG 13 16.544 24.665 3.830
104 HH12 ARG 13 HH12 ARG 13 14.923 24.230 3.385
105 HH21 ARG 13 HH21 ARG 13 13.390 26.377 5.592
106 HH22 ARG 13 HH22 ARG 13 13.219 25.134 4.368
107 H SER 14 H SER 14 17.573 28.614 10.571
108 HA SER 14 HA SER 14 16.852 31.134 9.595
109 HB2 SER 14 HB2 SER 14 15.937 30.049 11.640
110 HB3 SER 14 HB3 SER 14 17.444 30.454 12.489
111 HG SER 14 HG SER 14 15.376 32.105 11.542
112 H LEU 15 H LEU 15 19.914 30.255 11.185
113 HA LEU 15 HA LEU 15 20.972 33.026 10.772
114 HB2 LEU 15 HB2 LEU 15 21.630 31.038 12.969
115 HB3 LEU 15 HB3 LEU 15 22.375 32.625 12.773
116 HG LEU 15 HG LEU 15 19.414 32.164 13.318
117 HD11 LEU 15 HD11 LEU 15 19.913 32.923 15.604
118 HD12 LEU 15 HD12 LEU 15 20.801 31.441 15.218
119 HD13 LEU 15 HD13 LEU 15 21.648 33.006 15.209
120 HD21 LEU 15 HD21 LEU 15 21.112 34.700 13.386
121 HD22 LEU 15 HD22 LEU 15 19.826 34.324 12.216
122 HD23 LEU 15 HD23 LEU 15 19.419 34.572 13.921
123 H GLY 16 H GLY 16 20.984 30.637 8.973
124 HA2 GLY 16 HA2 GLY 16 22.427 29.669 7.455
125 HA3 GLY 16 HA3 GLY 16 23.638 30.870 7.938
126 H LEU 17 H LEU 17 22.317 28.606 10.279
127 HA LEU 17 HA LEU 17 24.985 27.352 10.631
128 HB2 LEU 17 HB2 LEU 17 22.531 27.164 12.365
129 HB3 LEU 17 HB3 LEU 17 24.138 26.634 12.813
130 HG LEU 17 HG LEU 17 23.241 29.461 12.303
131 HD11 LEU 17 HD11 LEU 17 22.091 28.517 14.278
132 HD12 LEU 17 HD12 LEU 17 23.689 28.232 15.026
133 HD13 LEU 17 HD13 LEU 17 23.159 29.873 14.656
134 HD21 LEU 17 HD21 LEU 17 25.709 29.083 12.087
135 HD22 LEU 17 HD22 LEU 17 25.308 30.130 13.460
136 HD23 LEU 17 HD23 LEU 17 25.694 28.414 13.748
137 H LEU 18 H LEU 18 24.951 25.074 11.223
138 HA LEU 18 HA LEU 18 22.907 23.404 9.801
139 HB2 LEU 18 HB2 LEU 18 25.862 22.843 10.235
140 HB3 LEU 18 HB3 LEU 18 24.697 21.581 9.844
141 HG LEU 18 HG LEU 18 25.254 23.989 8.075
142 HD11 LEU 18 HD11 LEU 18 26.110 21.079 7.771
143 HD12 LEU 18 HD12 LEU 18 26.456 22.406 6.641
144 HD13 LEU 18 HD13 LEU 18 27.184 22.402 8.257
145 HD21 LEU 18 HD21 LEU 18 22.998 23.117 7.658
146 HD22 LEU 18 HD22 LEU 18 24.074 22.680 6.334
147 HD23 LEU 18 HD23 LEU 18 23.649 21.461 7.544
148 H GLY 19 H GLY 19 22.492 21.352 10.931
149 HA2 GLY 19 HA2 GLY 19 22.382 21.775 13.897
150 HA3 GLY 19 HA3 GLY 19 21.235 20.825 12.958
151 H LYS 20 H LYS 20 23.285 20.276 15.226
152 HA LYS 20 HA LYS 20 24.140 17.592 14.239
153 HB2 LYS 20 HB2 LYS 20 25.876 19.388 15.976
154 HB3 LYS 20 HB3 LYS 20 26.275 17.772 15.402
155 HG2 LYS 20 HG2 LYS 20 25.975 20.236 13.639
156 HG3 LYS 20 HG3 LYS 20 27.493 19.593 14.251
157 HD2 LYS 20 HD2 LYS 20 27.174 17.506 12.979
158 HD3 LYS 20 HD3 LYS 20 25.612 18.086 12.384
159 HE2 LYS 20 HE2 LYS 20 26.879 20.148 11.496
160 HE3 LYS 20 HE3 LYS 20 28.371 19.267 11.857
161 HZ1 LYS 20 HZ1 LYS 20 26.243 18.447 9.953
162 HZ2 LYS 20 HZ2 LYS 20 27.774 18.918 9.581
163 HZ3 LYS 20 HZ3 LYS 20 27.515 17.490 10.354
164 H CYS 21 H CYS 21 23.745 15.958 15.780
165 HA CYS 21 HA CYS 21 22.387 16.811 18.271
166 HB2 CYS 21 HB2 CYS 21 21.302 15.085 16.974
167 HB3 CYS 21 HB3 CYS 21 22.741 14.071 17.074
168 H ILE 22 H ILE 22 23.201 16.722 20.228
169 HA ILE 22 HA ILE 22 25.889 15.478 20.647
170 HB ILE 22 HB ILE 22 24.876 17.954 22.067
171 HG12 ILE 22 HG12 ILE 22 26.924 17.730 19.808
172 HG13 ILE 22 HG13 ILE 22 25.341 18.501 19.697
173 HG21 ILE 22 HG21 ILE 22 26.414 16.495 23.367
174 HG22 ILE 22 HG22 ILE 22 27.582 16.522 22.027
175 HG23 ILE 22 HG23 ILE 22 27.211 17.996 22.930
176 HD11 ILE 22 HD11 ILE 22 26.935 20.245 19.915
177 HD12 ILE 22 HD12 ILE 22 26.068 20.151 21.462
178 HD13 ILE 22 HD13 ILE 22 27.715 19.487 21.308
179 H GLY 23 H GLY 23 25.318 13.633 21.413
180 HA2 GLY 23 HA2 GLY 23 24.867 12.040 22.992
181 HA3 GLY 23 HA3 GLY 23 24.240 13.282 24.092
182 H GLU 24 H GLU 24 22.191 14.313 23.214
183 HA GLU 24 HA GLU 24 20.189 12.513 21.981
184 HB2 GLU 24 HB2 GLU 24 18.893 12.202 24.045
185 HB3 GLU 24 HB3 GLU 24 20.496 11.484 24.180
186 HG2 GLU 24 HG2 GLU 24 21.259 13.507 25.469
187 HG3 GLU 24 HG3 GLU 24 19.632 14.160 25.367
188 H GLU 25 H GLU 25 21.232 15.450 21.948
189 HA GLU 25 HA GLU 25 18.569 16.707 21.615
190 HB2 GLU 25 HB2 GLU 25 19.357 17.040 24.001
191 HB3 GLU 25 HB3 GLU 25 20.754 17.897 23.372
192 HG2 GLU 25 HG2 GLU 25 19.334 19.654 22.451
193 HG3 GLU 25 HG3 GLU 25 17.871 18.737 22.866
194 H CYS 26 H CYS 26 18.585 18.088 19.804
195 HA CYS 26 HA CYS 26 21.150 18.328 18.412
196 HB2 CYS 26 HB2 CYS 26 19.090 17.665 17.215
197 HB3 CYS 26 HB3 CYS 26 18.500 19.322 17.428
198 H LYS 27 H LYS 27 22.392 19.968 18.080
199 HA LYS 27 HA LYS 27 21.737 22.711 19.096
200 HB2 LYS 27 HB2 LYS 27 24.292 21.052 19.306
201 HB3 LYS 27 HB3 LYS 27 24.337 22.813 19.307
202 HG2 LYS 27 HG2 LYS 27 24.413 22.151 21.536
203 HG3 LYS 27 HG3 LYS 27 22.816 22.848 21.259
204 HD2 LYS 27 HD2 LYS 27 21.822 20.573 21.223
205 HD3 LYS 27 HD3 LYS 27 23.422 19.837 21.211
206 HE2 LYS 27 HE2 LYS 27 22.440 19.642 23.392
207 HE3 LYS 27 HE3 LYS 27 23.847 20.714 23.454
208 HZ1 LYS 27 HZ1 LYS 27 22.542 22.418 24.075
209 HZ2 LYS 27 HZ2 LYS 27 21.351 22.099 22.985
210 HZ3 LYS 27 HZ3 LYS 27 21.358 21.305 24.416
211 H CYS 28 H CYS 28 22.746 24.422 17.923
212 HA CYS 28 HA CYS 28 23.155 23.789 15.050
213 HB2 CYS 28 HB2 CYS 28 22.665 26.388 16.493
214 HB3 CYS 28 HB3 CYS 28 22.883 26.218 14.739
215 H VAL 29 H VAL 29 24.897 24.796 13.861
216 HA VAL 29 HA VAL 29 27.255 25.576 15.472
217 HB VAL 29 HB VAL 29 28.735 24.134 14.170
218 HG11 VAL 29 HG11 VAL 29 26.701 22.588 15.832
219 HG12 VAL 29 HG12 VAL 29 28.385 22.133 15.509
220 HG13 VAL 29 HG13 VAL 29 28.033 23.566 16.484
221 HG21 VAL 29 HG21 VAL 29 27.280 23.528 12.258
222 HG22 VAL 29 HG22 VAL 29 27.914 22.106 13.088
223 HG23 VAL 29 HG23 VAL 29 26.231 22.605 13.356
224 HA PRO 30 HA PRO 30 27.987 28.266 11.936
225 HB2 PRO 30 HB2 PRO 30 30.047 29.703 12.917
226 HB3 PRO 30 HB3 PRO 30 28.434 29.721 13.678
227 HG2 PRO 30 HG2 PRO 30 30.878 28.138 14.505
228 HG3 PRO 30 HG3 PRO 30 29.775 29.104 15.527
229 HD2 PRO 30 HD2 PRO 30 29.599 26.333 15.075
230 HD3 PRO 30 HD3 PRO 30 28.258 27.372 15.640
231 H HIS 31 H HIS 31 28.377 26.212 10.930
232 HA HIS 31 HA HIS 31 30.802 24.843 10.535
233 HB2 HIS 31 HB2 HIS 31 29.584 23.600 8.887
234 HB3 HIS 31 HB3 HIS 31 28.508 23.942 10.246
235 HD2 HIS 31 HD2 HIS 31 26.649 25.843 9.884
236 HE1 HIS 31 HE1 HIS 31 28.018 27.240 6.190
237 HE2 HIS 31 HE2 HIS 31 26.218 27.555 7.951
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 14.067 12.066 25.037
2 H2 ALA 1 H2 ALA 1 14.088 13.448 25.919
3 H3 ALA 1 H3 ALA 1 15.514 12.741 25.465
4 HA ALA 1 HA ALA 1 13.498 13.907 23.682
5 HB1 ALA 1 HB1 ALA 1 15.204 15.659 23.227
6 HB2 ALA 1 HB2 ALA 1 14.694 15.626 24.924
7 HB3 ALA 1 HB3 ALA 1 16.260 14.941 24.459
8 H PHE 2 H PHE 2 14.385 14.142 21.353
9 HA PHE 2 HA PHE 2 16.422 12.091 20.676
10 HB2 PHE 2 HB2 PHE 2 14.688 10.721 20.309
11 HB3 PHE 2 HB3 PHE 2 13.521 12.011 20.134
12 HD1 PHE 2 HD1 PHE 2 12.996 13.023 18.054
13 HD2 PHE 2 HD2 PHE 2 16.118 10.058 18.302
14 HE1 PHE 2 HE1 PHE 2 13.186 13.050 15.618
15 HE2 PHE 2 HE2 PHE 2 16.261 10.012 15.831
16 HZ PHE 2 HZ PHE 2 14.808 11.510 14.465
17 H CYS 3 H CYS 3 17.809 12.633 19.218
18 HA CYS 3 HA CYS 3 17.952 15.311 18.150
19 HB2 CYS 3 HB2 CYS 3 19.608 12.790 17.886
20 HB3 CYS 3 HB3 CYS 3 19.998 14.264 17.023
21 H ASN 4 H ASN 4 16.823 15.952 16.345
22 HA ASN 4 HA ASN 4 16.471 14.137 14.050
23 HB2 ASN 4 HB2 ASN 4 15.123 16.417 14.806
24 HB3 ASN 4 HB3 ASN 4 16.279 17.119 13.714
25 HD21 ASN 4 HD21 ASN 4 13.278 14.904 12.202
26 HD22 ASN 4 HD22 ASN 4 13.308 15.504 13.868
27 H LEU 5 H LEU 5 17.384 15.074 11.866
28 HA LEU 5 HA LEU 5 19.963 16.437 12.210
29 HB2 LEU 5 HB2 LEU 5 20.017 13.725 11.730
30 HB3 LEU 5 HB3 LEU 5 20.038 14.357 10.093
31 HG LEU 5 HG LEU 5 22.260 14.062 10.758
32 HD11 LEU 5 HD11 LEU 5 21.825 16.226 9.582
33 HD12 LEU 5 HD12 LEU 5 21.804 17.051 11.157
34 HD13 LEU 5 HD13 LEU 5 23.272 16.261 10.605
35 HD21 LEU 5 HD21 LEU 5 23.312 14.990 12.756
36 HD22 LEU 5 HD22 LEU 5 21.775 15.707 13.274
37 HD23 LEU 5 HD23 LEU 5 21.955 13.944 13.200
38 H ARG 6 H ARG 6 17.829 15.180 9.516
39 HA ARG 6 HA ARG 6 18.335 17.457 7.896
40 HB2 ARG 6 HB2 ARG 6 17.284 15.238 7.180
41 HB3 ARG 6 HB3 ARG 6 15.792 15.790 7.925
42 HG2 ARG 6 HG2 ARG 6 15.490 16.208 5.659
43 HG3 ARG 6 HG3 ARG 6 15.907 17.800 6.284
44 HD2 ARG 6 HD2 ARG 6 17.845 15.851 4.940
45 HD3 ARG 6 HD3 ARG 6 17.023 17.153 4.100
46 HE ARG 6 HE ARG 6 19.300 17.372 5.936
47 HH11 ARG 6 HH11 ARG 6 20.366 19.364 6.065
48 HH12 ARG 6 HH12 ARG 6 19.559 20.781 5.376
49 HH21 ARG 6 HH21 ARG 6 16.759 19.282 4.328
50 HH22 ARG 6 HH22 ARG 6 17.710 20.752 4.584
51 H ARG 7 H ARG 7 15.516 16.912 10.037
52 HA ARG 7 HA ARG 7 14.443 19.593 9.713
53 HB2 ARG 7 HB2 ARG 7 13.338 17.414 10.710
54 HB3 ARG 7 HB3 ARG 7 14.010 18.009 12.233
55 HG2 ARG 7 HG2 ARG 7 12.825 20.141 11.982
56 HG3 ARG 7 HG3 ARG 7 12.125 19.601 10.450
57 HD2 ARG 7 HD2 ARG 7 11.716 18.145 13.104
58 HD3 ARG 7 HD3 ARG 7 10.646 19.425 12.514
59 HE ARG 7 HE ARG 7 10.968 17.387 10.492
60 HH11 ARG 7 HH11 ARG 7 9.199 17.831 13.544
61 HH12 ARG 7 HH12 ARG 7 7.831 16.930 12.879
62 HH21 ARG 7 HH21 ARG 7 9.227 16.223 9.882
63 HH22 ARG 7 HH22 ARG 7 7.875 16.035 10.974
64 H CYS 8 H CYS 8 16.982 18.296 11.740
65 HA CYS 8 HA CYS 8 17.093 20.583 13.529
66 HB2 CYS 8 HB2 CYS 8 18.026 18.464 14.209
67 HB3 CYS 8 HB3 CYS 8 19.226 18.526 12.913
68 H GLU 9 H GLU 9 19.036 19.649 10.605
69 HA GLU 9 HA GLU 9 20.491 22.086 10.315
70 HB2 GLU 9 HB2 GLU 9 19.635 19.936 8.348
71 HB3 GLU 9 HB3 GLU 9 20.662 21.300 7.890
72 HG2 GLU 9 HG2 GLU 9 22.381 20.625 9.482
73 HG3 GLU 9 HG3 GLU 9 21.389 19.299 10.068
74 H LEU 10 H LEU 10 17.246 21.196 9.019
75 HA LEU 10 HA LEU 10 16.769 23.660 7.613
76 HB2 LEU 10 HB2 LEU 10 14.897 21.682 8.981
77 HB3 LEU 10 HB3 LEU 10 14.305 23.047 8.044
78 HG LEU 10 HG LEU 10 16.139 20.924 6.925
79 HD11 LEU 10 HD11 LEU 10 14.114 19.978 5.828
80 HD12 LEU 10 HD12 LEU 10 14.040 19.840 7.585
81 HD13 LEU 10 HD13 LEU 10 13.098 21.103 6.760
82 HD21 LEU 10 HD21 LEU 10 14.303 22.963 5.580
83 HD22 LEU 10 HD22 LEU 10 16.073 23.058 5.648
84 HD23 LEU 10 HD23 LEU 10 15.300 21.759 4.734
85 H SER 11 H SER 11 16.196 22.766 10.984
86 HA SER 11 HA SER 11 14.939 25.278 11.727
87 HB2 SER 11 HB2 SER 11 16.371 23.332 13.572
88 HB3 SER 11 HB3 SER 11 15.214 24.597 14.026
89 HG SER 11 HG SER 11 14.789 22.216 12.546
90 H CYS 12 H CYS 12 18.320 24.107 12.134
91 HA CYS 12 HA CYS 12 19.412 26.496 13.195
92 HB2 CYS 12 HB2 CYS 12 20.605 24.232 11.564
93 HB3 CYS 12 HB3 CYS 12 21.568 25.519 12.264
94 H ARG 13 H ARG 13 18.495 25.832 9.868
95 HA ARG 13 HA ARG 13 19.963 27.801 8.475
96 HB2 ARG 13 HB2 ARG 13 18.259 26.014 7.659
97 HB3 ARG 13 HB3 ARG 13 17.027 27.232 8.017
98 HG2 ARG 13 HG2 ARG 13 18.153 28.798 6.420
99 HG3 ARG 13 HG3 ARG 13 19.375 27.571 6.092
100 HD2 ARG 13 HD2 ARG 13 17.710 27.526 4.332
101 HD3 ARG 13 HD3 ARG 13 17.632 26.026 5.269
102 HE ARG 13 HE ARG 13 15.788 28.229 6.027
103 HH11 ARG 13 HH11 ARG 13 16.072 25.279 4.123
104 HH12 ARG 13 HH12 ARG 13 14.333 25.129 4.002
105 HH21 ARG 13 HH21 ARG 13 13.605 27.886 5.873
106 HH22 ARG 13 HH22 ARG 13 13.016 26.413 5.114
107 H SER 14 H SER 14 17.435 28.269 10.872
108 HA SER 14 HA SER 14 16.625 30.905 10.332
109 HB2 SER 14 HB2 SER 14 17.104 29.698 13.080
110 HB3 SER 14 HB3 SER 14 16.029 31.051 12.670
111 HG SER 14 HG SER 14 15.769 28.307 12.196
112 H LEU 15 H LEU 15 19.825 29.883 11.530
113 HA LEU 15 HA LEU 15 20.655 32.759 11.512
114 HB2 LEU 15 HB2 LEU 15 21.550 30.416 13.221
115 HB3 LEU 15 HB3 LEU 15 22.514 31.888 13.082
116 HG LEU 15 HG LEU 15 19.628 31.884 14.023
117 HD11 LEU 15 HD11 LEU 15 20.598 32.091 16.327
118 HD12 LEU 15 HD12 LEU 15 20.965 30.532 15.573
119 HD13 LEU 15 HD13 LEU 15 22.205 31.800 15.649
120 HD21 LEU 15 HD21 LEU 15 20.322 34.097 15.013
121 HD22 LEU 15 HD22 LEU 15 21.891 33.927 14.215
122 HD23 LEU 15 HD23 LEU 15 20.404 34.086 13.251
123 H GLY 16 H GLY 16 20.552 30.412 9.458
124 HA2 GLY 16 HA2 GLY 16 21.797 29.731 7.632
125 HA3 GLY 16 HA3 GLY 16 22.992 30.978 8.008
126 H LEU 17 H LEU 17 22.124 28.447 10.345
127 HA LEU 17 HA LEU 17 24.933 27.433 10.282
128 HB2 LEU 17 HB2 LEU 17 22.755 27.060 12.351
129 HB3 LEU 17 HB3 LEU 17 24.430 26.582 12.539
130 HG LEU 17 HG LEU 17 23.401 29.396 12.238
131 HD11 LEU 17 HD11 LEU 17 22.603 28.403 14.356
132 HD12 LEU 17 HD12 LEU 17 24.304 28.083 14.810
133 HD13 LEU 17 HD13 LEU 17 23.731 29.739 14.598
134 HD21 LEU 17 HD21 LEU 17 25.793 29.069 11.608
135 HD22 LEU 17 HD22 LEU 17 25.624 30.040 13.080
136 HD23 LEU 17 HD23 LEU 17 26.062 28.307 13.201
137 H LEU 18 H LEU 18 25.133 25.160 10.923
138 HA LEU 18 HA LEU 18 23.031 23.345 9.821
139 HB2 LEU 18 HB2 LEU 18 26.048 22.959 9.825
140 HB3 LEU 18 HB3 LEU 18 24.899 21.645 9.578
141 HG LEU 18 HG LEU 18 25.100 24.100 7.804
142 HD11 LEU 18 HD11 LEU 18 26.006 21.225 7.344
143 HD12 LEU 18 HD12 LEU 18 26.045 22.538 6.144
144 HD13 LEU 18 HD13 LEU 18 27.063 22.638 7.591
145 HD21 LEU 18 HD21 LEU 18 23.501 21.525 7.451
146 HD22 LEU 18 HD22 LEU 18 22.825 23.160 7.705
147 HD23 LEU 18 HD23 LEU 18 23.698 22.790 6.229
148 H GLY 19 H GLY 19 23.353 21.100 11.095
149 HA2 GLY 19 HA2 GLY 19 23.266 21.820 14.000
150 HA3 GLY 19 HA3 GLY 19 21.849 21.149 13.210
151 H LYS 20 H LYS 20 23.850 20.273 15.374
152 HA LYS 20 HA LYS 20 24.266 17.461 14.474
153 HB2 LYS 20 HB2 LYS 20 26.360 19.320 15.660
154 HB3 LYS 20 HB3 LYS 20 26.548 17.570 15.474
155 HG2 LYS 20 HG2 LYS 20 26.233 17.781 13.015
156 HG3 LYS 20 HG3 LYS 20 26.082 19.545 13.182
157 HD2 LYS 20 HD2 LYS 20 28.296 19.715 14.109
158 HD3 LYS 20 HD3 LYS 20 28.501 17.942 13.999
159 HE2 LYS 20 HE2 LYS 20 28.152 18.089 11.531
160 HE3 LYS 20 HE3 LYS 20 28.029 19.850 11.662
161 HZ1 LYS 20 HZ1 LYS 20 30.424 18.267 12.415
162 HZ2 LYS 20 HZ2 LYS 20 30.286 19.137 11.033
163 HZ3 LYS 20 HZ3 LYS 20 30.296 19.898 12.489
164 H CYS 21 H CYS 21 24.291 15.949 16.060
165 HA CYS 21 HA CYS 21 22.574 16.512 18.320
166 HB2 CYS 21 HB2 CYS 21 22.399 14.534 16.851
167 HB3 CYS 21 HB3 CYS 21 23.977 13.987 17.401
168 H ILE 22 H ILE 22 22.889 16.073 20.466
169 HA ILE 22 HA ILE 22 25.518 15.249 21.556
170 HB ILE 22 HB ILE 22 23.869 17.462 22.821
171 HG12 ILE 22 HG12 ILE 22 26.390 17.720 21.150
172 HG13 ILE 22 HG13 ILE 22 24.797 18.421 20.808
173 HG21 ILE 22 HG21 ILE 22 26.694 16.472 23.426
174 HG22 ILE 22 HG22 ILE 22 25.752 17.645 24.371
175 HG23 ILE 22 HG23 ILE 22 25.257 15.963 24.325
176 HD11 ILE 22 HD11 ILE 22 26.054 20.217 21.631
177 HD12 ILE 22 HD12 ILE 22 25.076 19.713 23.029
178 HD13 ILE 22 HD13 ILE 22 26.785 19.247 22.926
179 H GLY 23 H GLY 23 24.445 13.256 21.532
180 HA2 GLY 23 HA2 GLY 23 23.448 11.423 22.449
181 HA3 GLY 23 HA3 GLY 23 23.119 12.374 23.894
182 H GLU 24 H GLU 24 21.378 14.149 23.271
183 HA GLU 24 HA GLU 24 19.009 13.021 21.879
184 HB2 GLU 24 HB2 GLU 24 17.629 13.223 23.805
185 HB3 GLU 24 HB3 GLU 24 18.936 12.101 24.147
186 HG2 GLU 24 HG2 GLU 24 20.040 13.773 25.553
187 HG3 GLU 24 HG3 GLU 24 18.891 15.019 25.051
188 H GLU 25 H GLU 25 20.858 15.753 22.546
189 HA GLU 25 HA GLU 25 18.620 17.643 21.898
190 HB2 GLU 25 HB2 GLU 25 19.747 17.950 24.100
191 HB3 GLU 25 HB3 GLU 25 21.279 18.135 23.258
192 HG2 GLU 25 HG2 GLU 25 20.616 20.313 23.772
193 HG3 GLU 25 HG3 GLU 25 20.280 20.141 22.054
194 H CYS 26 H CYS 26 18.756 18.612 19.846
195 HA CYS 26 HA CYS 26 21.372 18.342 18.430
196 HB2 CYS 26 HB2 CYS 26 19.358 17.347 17.377
197 HB3 CYS 26 HB3 CYS 26 18.723 18.982 17.156
198 H LYS 27 H LYS 27 22.635 19.978 18.041
199 HA LYS 27 HA LYS 27 21.741 22.776 18.629
200 HB2 LYS 27 HB2 LYS 27 23.942 21.093 19.846
201 HB3 LYS 27 HB3 LYS 27 24.150 22.848 19.722
202 HG2 LYS 27 HG2 LYS 27 22.186 23.298 20.981
203 HG3 LYS 27 HG3 LYS 27 21.644 21.623 20.942
204 HD2 LYS 27 HD2 LYS 27 23.285 20.912 22.469
205 HD3 LYS 27 HD3 LYS 27 24.256 22.397 22.274
206 HE2 LYS 27 HE2 LYS 27 22.474 23.734 23.292
207 HE3 LYS 27 HE3 LYS 27 21.436 22.309 23.427
208 HZ1 LYS 27 HZ1 LYS 27 22.956 21.364 25.020
209 HZ2 LYS 27 HZ2 LYS 27 24.062 22.555 24.773
210 HZ3 LYS 27 HZ3 LYS 27 22.650 22.917 25.502
211 H CYS 28 H CYS 28 22.820 24.442 17.688
212 HA CYS 28 HA CYS 28 23.577 23.729 14.970
213 HB2 CYS 28 HB2 CYS 28 23.140 26.446 16.207
214 HB3 CYS 28 HB3 CYS 28 23.286 26.096 14.484
215 H VAL 29 H VAL 29 25.289 24.824 13.759
216 HA VAL 29 HA VAL 29 27.703 25.490 15.350
217 HB VAL 29 HB VAL 29 29.081 24.003 13.942
218 HG11 VAL 29 HG11 VAL 29 27.056 22.543 15.677
219 HG12 VAL 29 HG12 VAL 29 28.673 21.974 15.225
220 HG13 VAL 29 HG13 VAL 29 28.508 23.407 16.243
221 HG21 VAL 29 HG21 VAL 29 28.138 22.060 12.829
222 HG22 VAL 29 HG22 VAL 29 26.488 22.589 13.203
223 HG23 VAL 29 HG23 VAL 29 27.502 23.521 12.076
224 HA PRO 30 HA PRO 30 28.410 28.375 11.991
225 HB2 PRO 30 HB2 PRO 30 30.856 29.314 12.660
226 HB3 PRO 30 HB3 PRO 30 29.442 29.571 13.728
227 HG2 PRO 30 HG2 PRO 30 31.585 27.428 13.949
228 HG3 PRO 30 HG3 PRO 30 30.978 28.520 15.234
229 HD2 PRO 30 HD2 PRO 30 30.050 25.955 14.839
230 HD3 PRO 30 HD3 PRO 30 29.032 27.247 15.513
231 H HIS 31 H HIS 31 29.934 25.420 12.314
232 HA HIS 31 HA HIS 31 32.084 25.558 10.479
233 HB2 HIS 31 HB2 HIS 31 30.529 23.183 11.543
234 HB3 HIS 31 HB3 HIS 31 32.040 23.072 10.635
235 HD2 HIS 31 HD2 HIS 31 34.161 24.580 11.763
236 HE1 HIS 31 HE1 HIS 31 32.656 24.388 15.728
237 HE2 HIS 31 HE2 HIS 31 34.723 24.880 14.318
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 12.347 11.181 24.629
2 H2 ALA 1 H2 ALA 1 13.627 12.167 24.342
3 H3 ALA 1 H3 ALA 1 13.628 10.623 23.762
4 HA ALA 1 HA ALA 1 11.739 11.118 22.359
5 HB1 ALA 1 HB1 ALA 1 12.226 13.994 23.257
6 HB2 ALA 1 HB2 ALA 1 11.094 13.463 21.994
7 HB3 ALA 1 HB3 ALA 1 10.811 13.004 23.669
8 H PHE 2 H PHE 2 12.129 11.490 20.222
9 HA PHE 2 HA PHE 2 14.504 11.051 19.175
10 HB2 PHE 2 HB2 PHE 2 11.993 11.343 18.257
11 HB3 PHE 2 HB3 PHE 2 12.638 12.842 17.620
12 HD1 PHE 2 HD1 PHE 2 12.845 9.171 17.643
13 HD2 PHE 2 HD2 PHE 2 14.302 12.771 15.773
14 HE1 PHE 2 HE1 PHE 2 13.862 7.820 15.865
15 HE2 PHE 2 HE2 PHE 2 15.344 11.411 13.984
16 HZ PHE 2 HZ PHE 2 15.131 8.926 14.012
17 H CYS 3 H CYS 3 16.372 11.998 18.676
18 HA CYS 3 HA CYS 3 16.733 14.945 18.840
19 HB2 CYS 3 HB2 CYS 3 18.325 13.224 19.857
20 HB3 CYS 3 HB3 CYS 3 18.753 12.763 18.210
21 H ASN 4 H ASN 4 16.620 16.177 16.906
22 HA ASN 4 HA ASN 4 16.134 14.617 14.439
23 HB2 ASN 4 HB2 ASN 4 15.612 17.490 15.266
24 HB3 ASN 4 HB3 ASN 4 15.429 16.931 13.601
25 HD21 ASN 4 HD21 ASN 4 12.602 14.858 14.239
26 HD22 ASN 4 HD22 ASN 4 13.905 15.234 13.130
27 H LEU 5 H LEU 5 17.120 15.054 12.464
28 HA LEU 5 HA LEU 5 19.629 16.652 12.522
29 HB2 LEU 5 HB2 LEU 5 19.866 14.024 12.744
30 HB3 LEU 5 HB3 LEU 5 19.557 14.034 11.024
31 HG LEU 5 HG LEU 5 21.899 13.959 11.364
32 HD11 LEU 5 HD11 LEU 5 21.364 16.874 10.693
33 HD12 LEU 5 HD12 LEU 5 22.777 15.907 10.255
34 HD13 LEU 5 HD13 LEU 5 21.200 15.522 9.545
35 HD21 LEU 5 HD21 LEU 5 23.203 15.536 12.666
36 HD22 LEU 5 HD22 LEU 5 21.748 16.454 13.106
37 HD23 LEU 5 HD23 LEU 5 21.966 14.790 13.692
38 H ARG 6 H ARG 6 17.709 14.771 10.084
39 HA ARG 6 HA ARG 6 17.957 16.748 8.069
40 HB2 ARG 6 HB2 ARG 6 16.135 15.560 6.901
41 HB3 ARG 6 HB3 ARG 6 17.411 14.493 7.494
42 HG2 ARG 6 HG2 ARG 6 15.984 13.952 9.476
43 HG3 ARG 6 HG3 ARG 6 14.665 14.884 8.758
44 HD2 ARG 6 HD2 ARG 6 16.010 12.472 7.457
45 HD3 ARG 6 HD3 ARG 6 14.601 12.393 8.525
46 HE ARG 6 HE ARG 6 14.571 14.010 6.011
47 HH11 ARG 6 HH11 ARG 6 13.166 11.285 7.713
48 HH12 ARG 6 HH12 ARG 6 11.604 11.501 6.923
49 HH21 ARG 6 HH21 ARG 6 12.710 14.106 4.956
50 HH22 ARG 6 HH22 ARG 6 11.441 12.927 5.216
51 H ARG 7 H ARG 7 15.392 16.548 10.558
52 HA ARG 7 HA ARG 7 14.204 19.084 9.590
53 HB2 ARG 7 HB2 ARG 7 13.686 17.336 12.024
54 HB3 ARG 7 HB3 ARG 7 12.965 18.934 11.839
55 HG2 ARG 7 HG2 ARG 7 11.939 18.294 9.713
56 HG3 ARG 7 HG3 ARG 7 12.647 16.678 9.820
57 HD2 ARG 7 HD2 ARG 7 11.323 16.172 11.816
58 HD3 ARG 7 HD3 ARG 7 10.775 17.854 11.911
59 HE ARG 7 HE ARG 7 10.137 16.267 9.471
60 HH11 ARG 7 HH11 ARG 7 8.812 17.627 12.433
61 HH12 ARG 7 HH12 ARG 7 7.267 17.954 11.700
62 HH21 ARG 7 HH21 ARG 7 8.103 16.693 8.622
63 HH22 ARG 7 HH22 ARG 7 6.854 17.355 9.666
64 H CYS 8 H CYS 8 16.547 18.194 12.120
65 HA CYS 8 HA CYS 8 16.576 20.754 13.398
66 HB2 CYS 8 HB2 CYS 8 17.550 18.788 14.503
67 HB3 CYS 8 HB3 CYS 8 18.766 18.664 13.215
68 H GLU 9 H GLU 9 18.645 19.557 10.650
69 HA GLU 9 HA GLU 9 20.302 21.836 10.436
70 HB2 GLU 9 HB2 GLU 9 19.294 19.847 8.370
71 HB3 GLU 9 HB3 GLU 9 20.362 21.182 7.930
72 HG2 GLU 9 HG2 GLU 9 22.037 20.416 9.590
73 HG3 GLU 9 HG3 GLU 9 21.020 19.035 9.982
74 H LEU 10 H LEU 10 16.958 21.475 9.330
75 HA LEU 10 HA LEU 10 16.869 23.970 7.830
76 HB2 LEU 10 HB2 LEU 10 14.599 22.307 8.992
77 HB3 LEU 10 HB3 LEU 10 14.456 23.554 7.760
78 HG LEU 10 HG LEU 10 15.953 20.923 7.440
79 HD11 LEU 10 HD11 LEU 10 13.282 21.826 6.293
80 HD12 LEU 10 HD12 LEU 10 14.104 20.291 5.949
81 HD13 LEU 10 HD13 LEU 10 13.507 20.626 7.581
82 HD21 LEU 10 HD21 LEU 10 15.308 23.113 5.421
83 HD22 LEU 10 HD22 LEU 10 16.928 22.654 6.003
84 HD23 LEU 10 HD23 LEU 10 15.992 21.521 5.022
85 H SER 11 H SER 11 16.341 23.127 11.206
86 HA SER 11 HA SER 11 15.196 25.723 11.980
87 HB2 SER 11 HB2 SER 11 14.902 23.692 13.342
88 HB3 SER 11 HB3 SER 11 16.636 23.642 13.678
89 HG SER 11 HG SER 11 15.358 24.629 15.316
90 H CYS 12 H CYS 12 18.460 24.215 12.182
91 HA CYS 12 HA CYS 12 19.836 26.499 13.104
92 HB2 CYS 12 HB2 CYS 12 20.797 24.246 11.292
93 HB3 CYS 12 HB3 CYS 12 21.833 25.353 12.176
94 H ARG 13 H ARG 13 18.991 25.630 9.758
95 HA ARG 13 HA ARG 13 20.360 27.648 8.347
96 HB2 ARG 13 HB2 ARG 13 19.119 25.653 7.454
97 HB3 ARG 13 HB3 ARG 13 17.601 26.515 7.729
98 HG2 ARG 13 HG2 ARG 13 18.251 28.234 6.095
99 HG3 ARG 13 HG3 ARG 13 19.872 27.533 5.997
100 HD2 ARG 13 HD2 ARG 13 18.688 26.854 4.047
101 HD3 ARG 13 HD3 ARG 13 18.892 25.427 5.075
102 HE ARG 13 HE ARG 13 16.383 26.486 5.768
103 HH11 ARG 13 HH11 ARG 13 17.744 25.090 2.846
104 HH12 ARG 13 HH12 ARG 13 16.173 25.093 2.064
105 HH21 ARG 13 HH21 ARG 13 14.463 26.128 4.856
106 HH22 ARG 13 HH22 ARG 13 14.337 25.324 3.297
107 H SER 14 H SER 14 17.578 28.073 10.460
108 HA SER 14 HA SER 14 16.652 30.608 9.539
109 HB2 SER 14 HB2 SER 14 15.525 29.120 11.220
110 HB3 SER 14 HB3 SER 14 16.764 29.592 12.401
111 HG SER 14 HG SER 14 14.604 31.007 11.382
112 H LEU 15 H LEU 15 19.576 29.787 11.424
113 HA LEU 15 HA LEU 15 20.337 32.675 11.508
114 HB2 LEU 15 HB2 LEU 15 21.129 30.344 13.290
115 HB3 LEU 15 HB3 LEU 15 21.792 31.973 13.419
116 HG LEU 15 HG LEU 15 18.869 31.232 13.860
117 HD11 LEU 15 HD11 LEU 15 20.347 30.286 15.591
118 HD12 LEU 15 HD12 LEU 15 21.086 31.885 15.850
119 HD13 LEU 15 HD13 LEU 15 19.376 31.611 16.245
120 HD21 LEU 15 HD21 LEU 15 20.389 33.831 14.372
121 HD22 LEU 15 HD22 LEU 15 19.117 33.583 13.153
122 HD23 LEU 15 HD23 LEU 15 18.720 33.493 14.868
123 H GLY 16 H GLY 16 20.511 30.584 9.363
124 HA2 GLY 16 HA2 GLY 16 21.885 29.866 7.710
125 HA3 GLY 16 HA3 GLY 16 23.085 31.031 8.250
126 H LEU 17 H LEU 17 22.281 28.813 10.738
127 HA LEU 17 HA LEU 17 24.993 27.774 10.792
128 HB2 LEU 17 HB2 LEU 17 22.609 27.103 12.531
129 HB3 LEU 17 HB3 LEU 17 24.279 26.725 12.918
130 HG LEU 17 HG LEU 17 23.083 29.457 12.631
131 HD11 LEU 17 HD11 LEU 17 23.103 29.712 15.029
132 HD12 LEU 17 HD12 LEU 17 22.096 28.331 14.587
133 HD13 LEU 17 HD13 LEU 17 23.744 28.080 15.240
134 HD21 LEU 17 HD21 LEU 17 25.677 28.491 13.851
135 HD22 LEU 17 HD22 LEU 17 25.530 29.374 12.299
136 HD23 LEU 17 HD23 LEU 17 25.130 30.197 13.815
137 H LEU 18 H LEU 18 25.399 25.568 11.338
138 HA LEU 18 HA LEU 18 23.962 23.537 9.715
139 HB2 LEU 18 HB2 LEU 18 26.338 23.982 9.156
140 HB3 LEU 18 HB3 LEU 18 26.795 23.703 10.832
141 HG LEU 18 HG LEU 18 26.084 21.359 10.654
142 HD11 LEU 18 HD11 LEU 18 25.535 22.106 7.744
143 HD12 LEU 18 HD12 LEU 18 25.606 20.447 8.354
144 HD13 LEU 18 HD13 LEU 18 24.331 21.519 8.912
145 HD21 LEU 18 HD21 LEU 18 27.896 20.619 9.140
146 HD22 LEU 18 HD22 LEU 18 27.984 22.247 8.448
147 HD23 LEU 18 HD23 LEU 18 28.418 21.978 10.150
148 H GLY 19 H GLY 19 23.702 21.362 10.930
149 HA2 GLY 19 HA2 GLY 19 23.456 21.743 13.898
150 HA3 GLY 19 HA3 GLY 19 22.150 21.071 12.947
151 H LYS 20 H LYS 20 23.845 20.001 15.209
152 HA LYS 20 HA LYS 20 24.163 17.249 14.136
153 HB2 LYS 20 HB2 LYS 20 26.382 18.746 15.617
154 HB3 LYS 20 HB3 LYS 20 26.260 16.997 15.562
155 HG2 LYS 20 HG2 LYS 20 27.643 17.192 13.854
156 HG3 LYS 20 HG3 LYS 20 26.155 17.366 12.927
157 HD2 LYS 20 HD2 LYS 20 26.483 19.909 13.132
158 HD3 LYS 20 HD3 LYS 20 28.046 19.576 13.880
159 HE2 LYS 20 HE2 LYS 20 27.173 18.681 11.089
160 HE3 LYS 20 HE3 LYS 20 28.224 20.058 11.457
161 HZ1 LYS 20 HZ1 LYS 20 29.568 18.182 10.890
162 HZ2 LYS 20 HZ2 LYS 20 29.784 18.510 12.482
163 HZ3 LYS 20 HZ3 LYS 20 28.867 17.220 12.016
164 H CYS 21 H CYS 21 23.889 15.593 15.704
165 HA CYS 21 HA CYS 21 22.398 16.455 18.109
166 HB2 CYS 21 HB2 CYS 21 21.577 14.575 16.673
167 HB3 CYS 21 HB3 CYS 21 22.986 13.638 17.208
168 H ILE 22 H ILE 22 23.372 16.829 20.025
169 HA ILE 22 HA ILE 22 26.142 15.860 20.441
170 HB ILE 22 HB ILE 22 24.492 17.662 22.209
171 HG12 ILE 22 HG12 ILE 22 24.650 18.802 20.113
172 HG13 ILE 22 HG13 ILE 22 25.743 19.547 21.258
173 HG21 ILE 22 HG21 ILE 22 27.463 17.053 22.120
174 HG22 ILE 22 HG22 ILE 22 26.730 18.356 23.075
175 HG23 ILE 22 HG23 ILE 22 26.331 16.675 23.433
176 HD11 ILE 22 HD11 ILE 22 26.522 17.718 18.962
177 HD12 ILE 22 HD12 ILE 22 26.814 19.448 19.090
178 HD13 ILE 22 HD13 ILE 22 27.675 18.336 20.174
179 H GLY 23 H GLY 23 23.265 15.907 22.558
180 HA2 GLY 23 HA2 GLY 23 23.704 13.085 23.381
181 HA3 GLY 23 HA3 GLY 23 23.809 14.345 24.613
182 H GLU 24 H GLU 24 21.738 13.025 22.079
183 HA GLU 24 HA GLU 24 19.539 13.018 21.653
184 HB2 GLU 24 HB2 GLU 24 19.099 13.058 24.651
185 HB3 GLU 24 HB3 GLU 24 17.957 12.568 23.403
186 HG2 GLU 24 HG2 GLU 24 18.774 10.528 24.121
187 HG3 GLU 24 HG3 GLU 24 19.716 10.822 22.666
188 H GLU 25 H GLU 25 20.889 15.629 21.893
189 HA GLU 25 HA GLU 25 18.523 17.162 21.184
190 HB2 GLU 25 HB2 GLU 25 18.774 17.791 23.556
191 HB3 GLU 25 HB3 GLU 25 20.464 18.199 23.268
192 HG2 GLU 25 HG2 GLU 25 19.329 20.243 23.303
193 HG3 GLU 25 HG3 GLU 25 19.675 19.979 21.610
194 H CYS 26 H CYS 26 18.910 18.162 19.343
195 HA CYS 26 HA CYS 26 21.532 18.271 18.155
196 HB2 CYS 26 HB2 CYS 26 19.420 17.752 16.951
197 HB3 CYS 26 HB3 CYS 26 18.896 19.410 17.230
198 H LYS 27 H LYS 27 22.982 19.876 18.096
199 HA LYS 27 HA LYS 27 22.331 22.582 19.158
200 HB2 LYS 27 HB2 LYS 27 24.028 21.335 20.409
201 HB3 LYS 27 HB3 LYS 27 24.865 20.900 18.908
202 HG2 LYS 27 HG2 LYS 27 25.425 23.254 18.505
203 HG3 LYS 27 HG3 LYS 27 24.589 23.721 20.001
204 HD2 LYS 27 HD2 LYS 27 26.212 22.351 21.302
205 HD3 LYS 27 HD3 LYS 27 27.014 21.854 19.781
206 HE2 LYS 27 HE2 LYS 27 27.387 24.212 19.202
207 HE3 LYS 27 HE3 LYS 27 26.571 24.707 20.695
208 HZ1 LYS 27 HZ1 LYS 27 29.204 23.356 20.485
209 HZ2 LYS 27 HZ2 LYS 27 28.858 24.797 21.166
210 HZ3 LYS 27 HZ3 LYS 27 28.354 23.403 21.892
211 H CYS 28 H CYS 28 22.538 24.295 17.784
212 HA CYS 28 HA CYS 28 23.469 23.808 15.036
213 HB2 CYS 28 HB2 CYS 28 22.436 26.332 16.300
214 HB3 CYS 28 HB3 CYS 28 22.808 26.099 14.598
215 H VAL 29 H VAL 29 25.186 24.910 14.046
216 HA VAL 29 HA VAL 29 27.282 25.969 15.866
217 HB VAL 29 HB VAL 29 28.942 24.427 14.955
218 HG11 VAL 29 HG11 VAL 29 28.391 22.523 16.317
219 HG12 VAL 29 HG12 VAL 29 27.831 23.991 17.124
220 HG13 VAL 29 HG13 VAL 29 26.664 22.928 16.298
221 HG21 VAL 29 HG21 VAL 29 27.873 23.700 12.858
222 HG22 VAL 29 HG22 VAL 29 28.263 22.317 13.876
223 HG23 VAL 29 HG23 VAL 29 26.586 22.878 13.780
224 HA PRO 30 HA PRO 30 27.957 28.679 12.498
225 HB2 PRO 30 HB2 PRO 30 30.065 30.112 13.368
226 HB3 PRO 30 HB3 PRO 30 28.545 29.996 14.307
227 HG2 PRO 30 HG2 PRO 30 31.073 28.358 14.698
228 HG3 PRO 30 HG3 PRO 30 30.158 29.298 15.923
229 HD2 PRO 30 HD2 PRO 30 29.761 26.614 15.503
230 HD3 PRO 30 HD3 PRO 30 28.463 27.725 16.043
231 H HIS 31 H HIS 31 29.720 25.970 12.613
232 HA HIS 31 HA HIS 31 32.093 26.157 11.295
233 HB2 HIS 31 HB2 HIS 31 29.912 24.095 10.952
234 HB3 HIS 31 HB3 HIS 31 31.498 23.942 10.195
235 HD2 HIS 31 HD2 HIS 31 33.666 24.141 11.969
236 HE1 HIS 31 HE1 HIS 31 31.485 22.633 15.300
237 HE2 HIS 31 HE2 HIS 31 33.827 23.061 14.388
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 12.323 12.054 23.190
2 H2 ALA 1 H2 ALA 1 11.988 10.552 22.612
3 H3 ALA 1 H3 ALA 1 10.806 11.705 22.675
4 HA ALA 1 HA ALA 1 11.569 11.368 20.440
5 HB1 ALA 1 HB1 ALA 1 11.994 13.730 19.902
6 HB2 ALA 1 HB2 ALA 1 10.708 13.567 21.104
7 HB3 ALA 1 HB3 ALA 1 12.329 14.082 21.619
8 H PHE 2 H PHE 2 13.209 10.743 19.146
9 HA PHE 2 HA PHE 2 15.995 10.746 20.078
10 HB2 PHE 2 HB2 PHE 2 14.989 10.126 17.291
11 HB3 PHE 2 HB3 PHE 2 16.482 9.572 18.056
12 HD1 PHE 2 HD1 PHE 2 15.609 8.410 20.617
13 HD2 PHE 2 HD2 PHE 2 13.743 8.246 16.740
14 HE1 PHE 2 HE1 PHE 2 14.371 6.353 21.275
15 HE2 PHE 2 HE2 PHE 2 12.541 6.187 17.410
16 HZ PHE 2 HZ PHE 2 12.837 5.242 19.688
17 H CYS 3 H CYS 3 17.772 11.760 18.884
18 HA CYS 3 HA CYS 3 17.380 14.514 18.247
19 HB2 CYS 3 HB2 CYS 3 19.495 13.502 19.053
20 HB3 CYS 3 HB3 CYS 3 19.641 12.626 17.531
21 H ASN 4 H ASN 4 16.805 15.578 16.339
22 HA ASN 4 HA ASN 4 16.641 13.983 13.812
23 HB2 ASN 4 HB2 ASN 4 14.903 15.977 14.883
24 HB3 ASN 4 HB3 ASN 4 15.682 16.711 13.510
25 HD21 ASN 4 HD21 ASN 4 12.883 13.909 12.921
26 HD22 ASN 4 HD22 ASN 4 13.372 14.366 14.544
27 H LEU 5 H LEU 5 17.553 14.946 11.825
28 HA LEU 5 HA LEU 5 19.774 16.877 12.255
29 HB2 LEU 5 HB2 LEU 5 19.716 14.216 10.758
30 HB3 LEU 5 HB3 LEU 5 20.810 15.498 10.376
31 HG LEU 5 HG LEU 5 22.035 13.989 11.625
32 HD11 LEU 5 HD11 LEU 5 22.382 16.351 12.345
33 HD12 LEU 5 HD12 LEU 5 21.301 16.053 13.725
34 HD13 LEU 5 HD13 LEU 5 22.815 15.146 13.573
35 HD21 LEU 5 HD21 LEU 5 20.141 12.712 12.613
36 HD22 LEU 5 HD22 LEU 5 21.486 12.996 13.733
37 HD23 LEU 5 HD23 LEU 5 20.015 13.950 13.881
38 H ARG 6 H ARG 6 18.022 15.184 9.606
39 HA ARG 6 HA ARG 6 18.240 17.399 7.793
40 HB2 ARG 6 HB2 ARG 6 16.439 14.937 7.783
41 HB3 ARG 6 HB3 ARG 6 16.472 16.138 6.484
42 HG2 ARG 6 HG2 ARG 6 18.935 15.765 6.226
43 HG3 ARG 6 HG3 ARG 6 18.842 14.439 7.390
44 HD2 ARG 6 HD2 ARG 6 17.235 14.598 4.800
45 HD3 ARG 6 HD3 ARG 6 18.795 13.778 4.948
46 HE ARG 6 HE ARG 6 17.462 12.491 6.887
47 HH11 ARG 6 HH11 ARG 6 16.492 13.073 3.497
48 HH12 ARG 6 HH12 ARG 6 15.574 11.580 3.519
49 HH21 ARG 6 HH21 ARG 6 16.369 10.548 6.569
50 HH22 ARG 6 HH22 ARG 6 15.523 10.299 5.054
51 H ARG 7 H ARG 7 15.573 16.508 10.037
52 HA ARG 7 HA ARG 7 14.013 18.894 9.244
53 HB2 ARG 7 HB2 ARG 7 13.669 17.096 11.654
54 HB3 ARG 7 HB3 ARG 7 12.534 18.255 11.067
55 HG2 ARG 7 HG2 ARG 7 13.357 15.688 9.614
56 HG3 ARG 7 HG3 ARG 7 11.901 15.933 10.552
57 HD2 ARG 7 HD2 ARG 7 11.283 17.789 8.881
58 HD3 ARG 7 HD3 ARG 7 12.596 17.162 7.868
59 HE ARG 7 HE ARG 7 10.261 15.509 8.836
60 HH11 ARG 7 HH11 ARG 7 11.841 16.568 5.886
61 HH12 ARG 7 HH12 ARG 7 11.309 15.103 5.074
62 HH21 ARG 7 HH21 ARG 7 9.520 13.880 7.600
63 HH22 ARG 7 HH22 ARG 7 10.116 13.721 5.944
64 H CYS 8 H CYS 8 16.343 18.051 11.809
65 HA CYS 8 HA CYS 8 15.908 20.354 13.457
66 HB2 CYS 8 HB2 CYS 8 17.210 18.516 14.313
67 HB3 CYS 8 HB3 CYS 8 18.379 18.667 12.994
68 H GLU 9 H GLU 9 18.146 19.912 10.648
69 HA GLU 9 HA GLU 9 19.415 22.402 10.764
70 HB2 GLU 9 HB2 GLU 9 18.747 20.649 8.365
71 HB3 GLU 9 HB3 GLU 9 19.665 22.141 8.247
72 HG2 GLU 9 HG2 GLU 9 21.079 20.962 10.230
73 HG3 GLU 9 HG3 GLU 9 20.495 19.521 9.403
74 H LEU 10 H LEU 10 16.095 21.894 9.813
75 HA LEU 10 HA LEU 10 15.719 24.318 8.269
76 HB2 LEU 10 HB2 LEU 10 13.727 22.800 10.002
77 HB3 LEU 10 HB3 LEU 10 13.324 23.982 8.763
78 HG LEU 10 HG LEU 10 14.692 21.306 8.269
79 HD11 LEU 10 HD11 LEU 10 12.544 20.654 7.271
80 HD12 LEU 10 HD12 LEU 10 12.330 21.105 8.971
81 HD13 LEU 10 HD13 LEU 10 11.855 22.239 7.688
82 HD21 LEU 10 HD21 LEU 10 13.688 23.474 6.364
83 HD22 LEU 10 HD22 LEU 10 15.362 22.905 6.550
84 HD23 LEU 10 HD23 LEU 10 14.139 21.840 5.849
85 H SER 11 H SER 11 15.983 23.759 11.701
86 HA SER 11 HA SER 11 15.124 26.531 12.363
87 HB2 SER 11 HB2 SER 11 14.719 24.602 13.916
88 HB3 SER 11 HB3 SER 11 16.470 24.508 14.190
89 HG SER 11 HG SER 11 16.429 26.481 15.168
90 H CYS 12 H CYS 12 18.147 24.621 12.224
91 HA CYS 12 HA CYS 12 19.861 26.719 13.078
92 HB2 CYS 12 HB2 CYS 12 20.469 24.269 11.368
93 HB3 CYS 12 HB3 CYS 12 21.660 25.235 12.198
94 H ARG 13 H ARG 13 19.052 25.712 9.729
95 HA ARG 13 HA ARG 13 20.989 27.404 8.458
96 HB2 ARG 13 HB2 ARG 13 18.449 26.064 7.466
97 HB3 ARG 13 HB3 ARG 13 19.556 26.961 6.416
98 HG2 ARG 13 HG2 ARG 13 21.410 25.487 6.979
99 HG3 ARG 13 HG3 ARG 13 20.421 24.587 8.134
100 HD2 ARG 13 HD2 ARG 13 18.895 23.925 6.281
101 HD3 ARG 13 HD3 ARG 13 19.941 24.795 5.138
102 HE ARG 13 HE ARG 13 21.374 22.815 6.752
103 HH11 ARG 13 HH11 ARG 13 19.475 23.109 3.797
104 HH12 ARG 13 HH12 ARG 13 20.223 21.648 3.135
105 HH21 ARG 13 HH21 ARG 13 22.132 20.945 5.830
106 HH22 ARG 13 HH22 ARG 13 21.634 20.548 4.185
107 H SER 14 H SER 14 17.930 28.249 9.856
108 HA SER 14 HA SER 14 17.486 30.687 8.382
109 HB2 SER 14 HB2 SER 14 15.838 29.467 9.863
110 HB3 SER 14 HB3 SER 14 16.683 30.158 11.261
111 HG SER 14 HG SER 14 15.968 32.150 10.722
112 H LEU 15 H LEU 15 19.778 29.848 10.925
113 HA LEU 15 HA LEU 15 20.720 32.673 11.094
114 HB2 LEU 15 HB2 LEU 15 21.117 30.288 12.933
115 HB3 LEU 15 HB3 LEU 15 21.805 31.884 13.197
116 HG LEU 15 HG LEU 15 18.837 31.204 13.171
117 HD11 LEU 15 HD11 LEU 15 20.047 30.304 15.130
118 HD12 LEU 15 HD12 LEU 15 20.710 31.920 15.470
119 HD13 LEU 15 HD13 LEU 15 18.962 31.620 15.592
120 HD21 LEU 15 HD21 LEU 15 20.272 33.818 13.826
121 HD22 LEU 15 HD22 LEU 15 19.155 33.523 12.465
122 HD23 LEU 15 HD23 LEU 15 18.551 33.488 14.123
123 H GLY 16 H GLY 16 21.200 30.380 9.031
124 HA2 GLY 16 HA2 GLY 16 22.901 29.741 7.640
125 HA3 GLY 16 HA3 GLY 16 23.945 30.934 8.413
126 H LEU 17 H LEU 17 22.497 28.381 10.359
127 HA LEU 17 HA LEU 17 25.204 27.353 10.986
128 HB2 LEU 17 HB2 LEU 17 22.579 26.928 12.416
129 HB3 LEU 17 HB3 LEU 17 24.162 26.519 13.043
130 HG LEU 17 HG LEU 17 23.108 29.269 12.428
131 HD11 LEU 17 HD11 LEU 17 23.458 28.095 15.189
132 HD12 LEU 17 HD12 LEU 17 22.853 29.696 14.770
133 HD13 LEU 17 HD13 LEU 17 21.891 28.283 14.335
134 HD21 LEU 17 HD21 LEU 17 25.024 30.046 13.805
135 HD22 LEU 17 HD22 LEU 17 25.542 28.350 13.975
136 HD23 LEU 17 HD23 LEU 17 25.564 29.155 12.370
137 H LEU 18 H LEU 18 25.281 25.089 11.695
138 HA LEU 18 HA LEU 18 23.875 23.106 9.945
139 HB2 LEU 18 HB2 LEU 18 26.251 23.087 9.496
140 HB3 LEU 18 HB3 LEU 18 26.639 23.206 11.206
141 HG LEU 18 HG LEU 18 25.776 20.900 11.578
142 HD11 LEU 18 HD11 LEU 18 25.418 19.415 9.653
143 HD12 LEU 18 HD12 LEU 18 24.242 20.730 9.599
144 HD13 LEU 18 HD13 LEU 18 25.659 20.766 8.534
145 HD21 LEU 18 HD21 LEU 18 28.170 21.323 11.192
146 HD22 LEU 18 HD22 LEU 18 27.667 19.758 10.519
147 HD23 LEU 18 HD23 LEU 18 27.917 21.139 9.442
148 H GLY 19 H GLY 19 22.968 21.278 11.053
149 HA2 GLY 19 HA2 GLY 19 22.621 21.530 14.016
150 HA3 GLY 19 HA3 GLY 19 21.566 20.645 12.924
151 H LYS 20 H LYS 20 23.606 20.132 15.339
152 HA LYS 20 HA LYS 20 24.328 17.362 14.480
153 HB2 LYS 20 HB2 LYS 20 26.203 19.427 15.617
154 HB3 LYS 20 HB3 LYS 20 26.484 17.693 15.843
155 HG2 LYS 20 HG2 LYS 20 26.601 17.283 13.463
156 HG3 LYS 20 HG3 LYS 20 26.030 18.916 13.093
157 HD2 LYS 20 HD2 LYS 20 28.323 18.934 12.696
158 HD3 LYS 20 HD3 LYS 20 28.008 19.874 14.165
159 HE2 LYS 20 HE2 LYS 20 28.723 17.852 15.521
160 HE3 LYS 20 HE3 LYS 20 29.132 17.034 13.994
161 HZ1 LYS 20 HZ1 LYS 20 31.093 18.112 14.950
162 HZ2 LYS 20 HZ2 LYS 20 30.692 18.891 13.548
163 HZ3 LYS 20 HZ3 LYS 20 30.330 19.538 15.027
164 H CYS 21 H CYS 21 24.387 15.814 16.204
165 HA CYS 21 HA CYS 21 22.615 16.468 18.413
166 HB2 CYS 21 HB2 CYS 21 24.078 13.907 17.735
167 HB3 CYS 21 HB3 CYS 21 22.763 14.081 18.890
168 H ILE 22 H ILE 22 23.280 17.349 20.293
169 HA ILE 22 HA ILE 22 26.090 17.498 20.974
170 HB ILE 22 HB ILE 22 24.300 19.331 21.000
171 HG12 ILE 22 HG12 ILE 22 26.156 19.111 23.391
172 HG13 ILE 22 HG13 ILE 22 26.652 19.522 21.744
173 HG21 ILE 22 HG21 ILE 22 23.041 19.709 23.016
174 HG22 ILE 22 HG22 ILE 22 22.678 18.067 22.491
175 HG23 ILE 22 HG23 ILE 22 23.800 18.336 23.838
176 HD11 ILE 22 HD11 ILE 22 25.183 21.532 21.809
177 HD12 ILE 22 HD12 ILE 22 24.803 21.165 23.514
178 HD13 ILE 22 HD13 ILE 22 26.462 21.552 23.034
179 H GLY 23 H GLY 23 23.750 15.281 21.830
180 HA2 GLY 23 HA2 GLY 23 25.377 13.657 23.444
181 HA3 GLY 23 HA3 GLY 23 24.376 14.616 24.549
182 H GLU 24 H GLU 24 21.995 14.792 23.519
183 HA GLU 24 HA GLU 24 21.061 12.479 21.959
184 HB2 GLU 24 HB2 GLU 24 19.321 11.829 23.520
185 HB3 GLU 24 HB3 GLU 24 20.922 11.552 24.198
186 HG2 GLU 24 HG2 GLU 24 20.723 13.433 25.686
187 HG3 GLU 24 HG3 GLU 24 19.279 14.026 24.858
188 H GLU 25 H GLU 25 21.226 15.585 22.011
189 HA GLU 25 HA GLU 25 18.575 16.093 20.865
190 HB2 GLU 25 HB2 GLU 25 18.608 16.774 23.312
191 HB3 GLU 25 HB3 GLU 25 19.943 17.899 22.924
192 HG2 GLU 25 HG2 GLU 25 17.667 18.970 23.045
193 HG3 GLU 25 HG3 GLU 25 18.495 19.243 21.529
194 H CYS 26 H CYS 26 18.506 17.859 19.313
195 HA CYS 26 HA CYS 26 21.130 18.169 17.979
196 HB2 CYS 26 HB2 CYS 26 19.104 17.425 16.722
197 HB3 CYS 26 HB3 CYS 26 18.377 18.996 17.052
198 H LYS 27 H LYS 27 22.347 19.974 18.093
199 HA LYS 27 HA LYS 27 21.010 22.601 18.490
200 HB2 LYS 27 HB2 LYS 27 23.357 21.667 20.181
201 HB3 LYS 27 HB3 LYS 27 22.883 23.360 19.990
202 HG2 LYS 27 HG2 LYS 27 20.543 22.722 20.689
203 HG3 LYS 27 HG3 LYS 27 21.176 21.115 21.117
204 HD2 LYS 27 HD2 LYS 27 22.761 22.305 22.731
205 HD3 LYS 27 HD3 LYS 27 21.874 23.804 22.362
206 HE2 LYS 27 HE2 LYS 27 19.740 22.441 22.919
207 HE3 LYS 27 HE3 LYS 27 20.812 21.236 23.633
208 HZ1 LYS 27 HZ1 LYS 27 21.607 22.996 25.170
209 HZ2 LYS 27 HZ2 LYS 27 20.608 24.084 24.448
210 HZ3 LYS 27 HZ3 LYS 27 19.972 22.820 25.268
211 H CYS 28 H CYS 28 21.973 24.375 17.730
212 HA CYS 28 HA CYS 28 23.178 23.791 15.169
213 HB2 CYS 28 HB2 CYS 28 22.189 26.348 16.411
214 HB3 CYS 28 HB3 CYS 28 22.591 26.121 14.698
215 H VAL 29 H VAL 29 24.978 24.760 14.178
216 HA VAL 29 HA VAL 29 26.970 26.156 15.857
217 HB VAL 29 HB VAL 29 28.738 24.643 15.395
218 HG11 VAL 29 HG11 VAL 29 28.177 22.774 16.772
219 HG12 VAL 29 HG12 VAL 29 27.370 24.210 17.407
220 HG13 VAL 29 HG13 VAL 29 26.443 22.994 16.491
221 HG21 VAL 29 HG21 VAL 29 28.425 22.413 14.391
222 HG22 VAL 29 HG22 VAL 29 26.754 22.836 13.959
223 HG23 VAL 29 HG23 VAL 29 28.129 23.693 13.218
224 HA PRO 30 HA PRO 30 27.563 28.261 12.030
225 HB2 PRO 30 HB2 PRO 30 29.488 30.032 12.669
226 HB3 PRO 30 HB3 PRO 30 27.967 29.944 13.601
227 HG2 PRO 30 HG2 PRO 30 30.609 28.604 14.283
228 HG3 PRO 30 HG3 PRO 30 29.624 29.690 15.325
229 HD2 PRO 30 HD2 PRO 30 29.405 26.965 15.444
230 HD3 PRO 30 HD3 PRO 30 28.003 28.050 15.675
231 H HIS 31 H HIS 31 29.814 25.958 12.781
232 HA HIS 31 HA HIS 31 32.116 26.568 11.390
233 HB2 HIS 31 HB2 HIS 31 30.952 23.824 11.908
234 HB3 HIS 31 HB3 HIS 31 32.636 24.167 11.493
235 HD2 HIS 31 HD2 HIS 31 34.122 25.493 13.330
236 HE1 HIS 31 HE1 HIS 31 31.326 25.389 16.527
237 HE2 HIS 31 HE2 HIS 31 33.738 25.919 15.910
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 16.176 21.388 21.148
2 H2 ALA 1 H2 ALA 1 15.338 20.573 22.296
3 H3 ALA 1 H3 ALA 1 14.603 21.791 21.458
4 HA ALA 1 HA ALA 1 13.801 19.766 20.578
5 HB1 ALA 1 HB1 ALA 1 14.513 19.931 18.226
6 HB2 ALA 1 HB2 ALA 1 14.259 21.548 18.913
7 HB3 ALA 1 HB3 ALA 1 15.914 20.921 18.695
8 H PHE 2 H PHE 2 14.101 17.664 19.866
9 HA PHE 2 HA PHE 2 16.156 16.221 21.292
10 HB2 PHE 2 HB2 PHE 2 14.091 15.238 19.300
11 HB3 PHE 2 HB3 PHE 2 14.968 14.254 20.464
12 HD1 PHE 2 HD1 PHE 2 11.889 15.812 19.901
13 HD2 PHE 2 HD2 PHE 2 14.794 15.114 23.011
14 HE1 PHE 2 HE1 PHE 2 10.168 16.303 21.621
15 HE2 PHE 2 HE2 PHE 2 13.061 15.595 24.734
16 HZ PHE 2 HZ PHE 2 10.759 16.217 24.028
17 H CYS 3 H CYS 3 17.027 14.120 19.979
18 HA CYS 3 HA CYS 3 19.267 15.167 18.551
19 HB2 CYS 3 HB2 CYS 3 19.252 13.332 20.219
20 HB3 CYS 3 HB3 CYS 3 18.420 12.312 19.064
21 H ASN 4 H ASN 4 17.237 15.924 16.843
22 HA ASN 4 HA ASN 4 17.035 14.058 14.608
23 HB2 ASN 4 HB2 ASN 4 15.464 16.228 15.454
24 HB3 ASN 4 HB3 ASN 4 16.311 16.919 14.087
25 HD21 ASN 4 HD21 ASN 4 13.520 14.105 13.393
26 HD22 ASN 4 HD22 ASN 4 13.930 14.601 15.034
27 H LEU 5 H LEU 5 17.561 14.939 12.372
28 HA LEU 5 HA LEU 5 19.872 16.765 12.242
29 HB2 LEU 5 HB2 LEU 5 20.879 14.554 12.394
30 HB3 LEU 5 HB3 LEU 5 19.989 13.999 10.979
31 HG LEU 5 HG LEU 5 21.839 16.425 10.854
32 HD11 LEU 5 HD11 LEU 5 23.151 14.602 11.769
33 HD12 LEU 5 HD12 LEU 5 22.571 13.493 10.502
34 HD13 LEU 5 HD13 LEU 5 23.613 14.870 10.091
35 HD21 LEU 5 HD21 LEU 5 22.140 15.637 8.475
36 HD22 LEU 5 HD22 LEU 5 20.876 14.424 8.755
37 HD23 LEU 5 HD23 LEU 5 20.506 16.162 8.816
38 H ARG 6 H ARG 6 17.815 14.652 10.125
39 HA ARG 6 HA ARG 6 17.868 16.594 7.997
40 HB2 ARG 6 HB2 ARG 6 16.303 15.256 6.836
41 HB3 ARG 6 HB3 ARG 6 17.500 14.235 7.598
42 HG2 ARG 6 HG2 ARG 6 15.778 13.658 9.362
43 HG3 ARG 6 HG3 ARG 6 14.619 14.666 8.492
44 HD2 ARG 6 HD2 ARG 6 14.255 12.375 7.835
45 HD3 ARG 6 HD3 ARG 6 14.937 13.264 6.469
46 HE ARG 6 HE ARG 6 16.968 11.870 8.041
47 HH11 ARG 6 HH11 ARG 6 14.652 11.373 5.432
48 HH12 ARG 6 HH12 ARG 6 15.482 9.943 4.892
49 HH21 ARG 6 HH21 ARG 6 18.089 10.193 7.075
50 HH22 ARG 6 HH22 ARG 6 17.325 9.323 5.756
51 H ARG 7 H ARG 7 15.767 16.400 10.770
52 HA ARG 7 HA ARG 7 14.164 18.714 9.770
53 HB2 ARG 7 HB2 ARG 7 14.012 17.292 12.444
54 HB3 ARG 7 HB3 ARG 7 12.894 18.441 11.827
55 HG2 ARG 7 HG2 ARG 7 13.390 15.598 10.836
56 HG3 ARG 7 HG3 ARG 7 11.943 16.225 11.602
57 HD2 ARG 7 HD2 ARG 7 11.483 17.608 9.577
58 HD3 ARG 7 HD3 ARG 7 12.936 16.941 8.802
59 HE ARG 7 HE ARG 7 11.467 14.715 9.624
60 HH11 ARG 7 HH11 ARG 7 11.192 17.057 6.985
61 HH12 ARG 7 HH12 ARG 7 9.892 16.144 6.300
62 HH21 ARG 7 HH21 ARG 7 9.611 13.814 8.730
63 HH22 ARG 7 HH22 ARG 7 9.002 14.498 7.257
64 H CYS 8 H CYS 8 16.690 18.014 12.179
65 HA CYS 8 HA CYS 8 16.546 20.496 13.549
66 HB2 CYS 8 HB2 CYS 8 17.618 18.574 14.521
67 HB3 CYS 8 HB3 CYS 8 18.823 18.530 13.222
68 H GLU 9 H GLU 9 18.534 19.530 10.706
69 HA GLU 9 HA GLU 9 20.168 21.832 10.448
70 HB2 GLU 9 HB2 GLU 9 18.968 19.879 8.465
71 HB3 GLU 9 HB3 GLU 9 20.024 21.169 7.932
72 HG2 GLU 9 HG2 GLU 9 21.001 19.340 10.143
73 HG3 GLU 9 HG3 GLU 9 20.950 18.743 8.488
74 H LEU 10 H LEU 10 16.724 21.467 9.631
75 HA LEU 10 HA LEU 10 16.504 23.688 7.843
76 HB2 LEU 10 HB2 LEU 10 14.346 22.589 9.682
77 HB3 LEU 10 HB3 LEU 10 14.105 23.451 8.176
78 HG LEU 10 HG LEU 10 15.298 20.653 8.458
79 HD11 LEU 10 HD11 LEU 10 12.588 21.576 7.419
80 HD12 LEU 10 HD12 LEU 10 13.188 19.905 7.473
81 HD13 LEU 10 HD13 LEU 10 12.884 20.784 8.979
82 HD21 LEU 10 HD21 LEU 10 16.198 21.785 6.462
83 HD22 LEU 10 HD22 LEU 10 15.042 20.530 6.003
84 HD23 LEU 10 HD23 LEU 10 14.547 22.237 5.972
85 H SER 11 H SER 11 16.062 23.477 11.385
86 HA SER 11 HA SER 11 15.282 26.267 11.694
87 HB2 SER 11 HB2 SER 11 15.637 25.621 14.161
88 HB3 SER 11 HB3 SER 11 14.305 24.876 13.257
89 HG SER 11 HG SER 11 16.622 23.764 14.322
90 H CYS 12 H CYS 12 18.297 24.396 12.194
91 HA CYS 12 HA CYS 12 19.799 26.687 13.094
92 HB2 CYS 12 HB2 CYS 12 20.748 24.123 11.765
93 HB3 CYS 12 HB3 CYS 12 21.795 25.332 12.510
94 H ARG 13 H ARG 13 19.485 25.328 9.744
95 HA ARG 13 HA ARG 13 21.267 27.239 8.547
96 HB2 ARG 13 HB2 ARG 13 19.030 25.507 7.430
97 HB3 ARG 13 HB3 ARG 13 20.060 26.530 6.416
98 HG2 ARG 13 HG2 ARG 13 22.058 25.389 7.023
99 HG3 ARG 13 HG3 ARG 13 21.279 24.531 8.359
100 HD2 ARG 13 HD2 ARG 13 19.867 23.299 6.737
101 HD3 ARG 13 HD3 ARG 13 20.700 24.118 5.416
102 HE ARG 13 HE ARG 13 22.054 22.361 7.461
103 HH11 ARG 13 HH11 ARG 13 22.066 23.565 4.150
104 HH12 ARG 13 HH12 ARG 13 23.369 22.474 3.707
105 HH21 ARG 13 HH21 ARG 13 23.503 20.919 6.765
106 HH22 ARG 13 HH22 ARG 13 24.108 20.978 5.107
107 H SER 14 H SER 14 17.981 27.587 9.581
108 HA SER 14 HA SER 14 17.281 29.964 8.106
109 HB2 SER 14 HB2 SER 14 16.424 28.981 10.864
110 HB3 SER 14 HB3 SER 14 15.748 30.382 10.035
111 HG SER 14 HG SER 14 15.562 27.652 9.334
112 H LEU 15 H LEU 15 19.609 29.494 10.685
113 HA LEU 15 HA LEU 15 19.948 32.436 11.000
114 HB2 LEU 15 HB2 LEU 15 20.781 30.167 12.838
115 HB3 LEU 15 HB3 LEU 15 20.970 31.893 13.165
116 HG LEU 15 HG LEU 15 18.313 30.415 12.907
117 HD11 LEU 15 HD11 LEU 15 18.148 30.730 15.334
118 HD12 LEU 15 HD12 LEU 15 19.581 29.775 14.923
119 HD13 LEU 15 HD13 LEU 15 19.754 31.491 15.364
120 HD21 LEU 15 HD21 LEU 15 18.908 33.273 13.784
121 HD22 LEU 15 HD22 LEU 15 18.075 32.794 12.286
122 HD23 LEU 15 HD23 LEU 15 17.328 32.474 13.855
123 H GLY 16 H GLY 16 21.066 30.334 8.941
124 HA2 GLY 16 HA2 GLY 16 22.970 30.311 7.639
125 HA3 GLY 16 HA3 GLY 16 23.650 31.591 8.650
126 H LEU 17 H LEU 17 22.649 28.529 10.020
127 HA LEU 17 HA LEU 17 25.459 27.807 10.745
128 HB2 LEU 17 HB2 LEU 17 22.887 26.998 12.124
129 HB3 LEU 17 HB3 LEU 17 24.502 26.910 12.796
130 HG LEU 17 HG LEU 17 22.933 29.407 12.207
131 HD11 LEU 17 HD11 LEU 17 22.604 29.776 14.521
132 HD12 LEU 17 HD12 LEU 17 21.970 28.184 14.112
133 HD13 LEU 17 HD13 LEU 17 23.543 28.354 14.955
134 HD21 LEU 17 HD21 LEU 17 25.420 29.701 12.135
135 HD22 LEU 17 HD22 LEU 17 24.648 30.565 13.478
136 HD23 LEU 17 HD23 LEU 17 25.490 28.992 13.772
137 H LEU 18 H LEU 18 25.492 25.413 11.478
138 HA LEU 18 HA LEU 18 23.924 23.599 9.699
139 HB2 LEU 18 HB2 LEU 18 26.489 22.996 11.202
140 HB3 LEU 18 HB3 LEU 18 25.580 21.853 10.182
141 HG LEU 18 HG LEU 18 26.979 24.345 9.198
142 HD11 LEU 18 HD11 LEU 18 28.510 22.578 10.022
143 HD12 LEU 18 HD12 LEU 18 27.707 21.406 8.962
144 HD13 LEU 18 HD13 LEU 18 28.617 22.755 8.253
145 HD21 LEU 18 HD21 LEU 18 26.631 23.357 6.951
146 HD22 LEU 18 HD22 LEU 18 25.648 22.077 7.684
147 HD23 LEU 18 HD23 LEU 18 25.092 23.763 7.733
148 H GLY 19 H GLY 19 23.322 21.610 10.797
149 HA2 GLY 19 HA2 GLY 19 22.672 21.943 13.728
150 HA3 GLY 19 HA3 GLY 19 21.572 21.197 12.571
151 H LYS 20 H LYS 20 23.380 20.392 15.044
152 HA LYS 20 HA LYS 20 24.156 17.675 14.049
153 HB2 LYS 20 HB2 LYS 20 25.942 19.628 15.545
154 HB3 LYS 20 HB3 LYS 20 26.287 17.917 15.314
155 HG2 LYS 20 HG2 LYS 20 26.386 18.194 12.872
156 HG3 LYS 20 HG3 LYS 20 25.975 19.926 13.029
157 HD2 LYS 20 HD2 LYS 20 27.942 20.347 14.346
158 HD3 LYS 20 HD3 LYS 20 28.374 18.627 14.321
159 HE2 LYS 20 HE2 LYS 20 28.470 18.831 11.762
160 HE3 LYS 20 HE3 LYS 20 28.368 20.588 11.989
161 HZ1 LYS 20 HZ1 LYS 20 30.406 20.355 13.435
162 HZ2 LYS 20 HZ2 LYS 20 30.483 18.781 13.026
163 HZ3 LYS 20 HZ3 LYS 20 30.682 19.936 11.870
164 H CYS 21 H CYS 21 23.863 16.051 15.581
165 HA CYS 21 HA CYS 21 22.443 16.787 18.040
166 HB2 CYS 21 HB2 CYS 21 21.632 14.910 16.831
167 HB3 CYS 21 HB3 CYS 21 23.200 14.102 16.908
168 H ILE 22 H ILE 22 23.118 16.785 20.069
169 HA ILE 22 HA ILE 22 25.990 16.524 20.727
170 HB ILE 22 HB ILE 22 23.606 17.199 22.491
171 HG12 ILE 22 HG12 ILE 22 23.814 18.960 20.863
172 HG13 ILE 22 HG13 ILE 22 24.377 19.518 22.428
173 HG21 ILE 22 HG21 ILE 22 26.606 17.356 23.027
174 HG22 ILE 22 HG22 ILE 22 25.353 18.069 24.059
175 HG23 ILE 22 HG23 ILE 22 25.420 16.324 23.848
176 HD11 ILE 22 HD11 ILE 22 26.743 19.277 21.676
177 HD12 ILE 22 HD12 ILE 22 26.162 18.739 20.080
178 HD13 ILE 22 HD13 ILE 22 25.810 20.377 20.652
179 H GLY 23 H GLY 23 22.944 15.061 21.914
180 HA2 GLY 23 HA2 GLY 23 23.968 12.367 21.870
181 HA3 GLY 23 HA3 GLY 23 24.013 13.029 23.508
182 H GLU 24 H GLU 24 21.709 14.507 23.621
183 HA GLU 24 HA GLU 24 19.448 12.730 22.753
184 HB2 GLU 24 HB2 GLU 24 19.474 14.210 25.390
185 HB3 GLU 24 HB3 GLU 24 18.344 12.986 24.798
186 HG2 GLU 24 HG2 GLU 24 20.266 11.330 24.816
187 HG3 GLU 24 HG3 GLU 24 21.239 12.552 25.644
188 H GLU 25 H GLU 25 20.804 15.633 22.280
189 HA GLU 25 HA GLU 25 18.306 16.977 21.439
190 HB2 GLU 25 HB2 GLU 25 20.564 18.199 23.066
191 HB3 GLU 25 HB3 GLU 25 19.319 19.145 22.244
192 HG2 GLU 25 HG2 GLU 25 17.563 18.039 23.557
193 HG3 GLU 25 HG3 GLU 25 18.780 17.072 24.390
194 H CYS 26 H CYS 26 18.634 18.491 19.762
195 HA CYS 26 HA CYS 26 21.288 18.358 18.399
196 HB2 CYS 26 HB2 CYS 26 19.577 17.211 17.098
197 HB3 CYS 26 HB3 CYS 26 18.595 18.678 17.075
198 H LYS 27 H LYS 27 22.291 20.121 17.768
199 HA LYS 27 HA LYS 27 21.214 22.797 18.469
200 HB2 LYS 27 HB2 LYS 27 23.541 21.394 19.845
201 HB3 LYS 27 HB3 LYS 27 23.402 23.152 19.797
202 HG2 LYS 27 HG2 LYS 27 21.151 23.040 20.799
203 HG3 LYS 27 HG3 LYS 27 21.281 21.273 20.898
204 HD2 LYS 27 HD2 LYS 27 23.281 21.564 22.399
205 HD3 LYS 27 HD3 LYS 27 22.908 23.303 22.454
206 HE2 LYS 27 HE2 LYS 27 20.707 22.872 23.387
207 HE3 LYS 27 HE3 LYS 27 20.875 21.129 23.123
208 HZ1 LYS 27 HZ1 LYS 27 22.508 22.710 25.022
209 HZ2 LYS 27 HZ2 LYS 27 21.273 21.669 25.404
210 HZ3 LYS 27 HZ3 LYS 27 22.634 21.074 24.746
211 H CYS 28 H CYS 28 22.741 24.522 17.892
212 HA CYS 28 HA CYS 28 23.490 23.918 15.106
213 HB2 CYS 28 HB2 CYS 28 22.876 26.530 16.463
214 HB3 CYS 28 HB3 CYS 28 23.083 26.268 14.716
215 H VAL 29 H VAL 29 25.231 25.086 13.997
216 HA VAL 29 HA VAL 29 27.464 26.037 15.681
217 HB VAL 29 HB VAL 29 29.130 24.553 14.721
218 HG11 VAL 29 HG11 VAL 29 26.959 22.928 16.104
219 HG12 VAL 29 HG12 VAL 29 28.683 22.551 15.995
220 HG13 VAL 29 HG13 VAL 29 28.166 23.970 16.904
221 HG21 VAL 29 HG21 VAL 29 28.534 22.463 13.603
222 HG22 VAL 29 HG22 VAL 29 26.822 22.946 13.549
223 HG23 VAL 29 HG23 VAL 29 28.065 23.844 12.635
224 HA PRO 30 HA PRO 30 28.373 28.288 11.868
225 HB2 PRO 30 HB2 PRO 30 30.481 29.763 12.631
226 HB3 PRO 30 HB3 PRO 30 28.879 29.930 13.401
227 HG2 PRO 30 HG2 PRO 30 31.243 28.334 14.417
228 HG3 PRO 30 HG3 PRO 30 30.232 29.518 15.314
229 HD2 PRO 30 HD2 PRO 30 29.832 26.752 15.307
230 HD3 PRO 30 HD3 PRO 30 28.549 27.952 15.626
231 H HIS 31 H HIS 31 28.740 26.007 11.206
232 HA HIS 31 HA HIS 31 29.800 24.422 9.974
233 HB2 HIS 31 HB2 HIS 31 31.252 26.902 9.036
234 HB3 HIS 31 HB3 HIS 31 31.180 25.371 8.165
235 HD2 HIS 31 HD2 HIS 31 28.973 24.694 6.997
236 HE1 HIS 31 HE1 HIS 31 26.681 28.169 7.778
237 HE2 HIS 31 HE2 HIS 31 26.788 26.045 6.401
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 14.487 12.064 26.126
2 H2 ALA 1 H2 ALA 1 13.086 12.452 25.337
3 H3 ALA 1 H3 ALA 1 13.581 13.379 26.592
4 HA ALA 1 HA ALA 1 13.957 14.456 24.502
5 HB1 ALA 1 HB1 ALA 1 15.400 15.064 26.354
6 HB2 ALA 1 HB2 ALA 1 16.449 13.658 26.059
7 HB3 ALA 1 HB3 ALA 1 16.374 14.977 24.874
8 H PHE 2 H PHE 2 14.942 14.523 22.415
9 HA PHE 2 HA PHE 2 16.480 12.205 21.422
10 HB2 PHE 2 HB2 PHE 2 13.780 13.003 20.269
11 HB3 PHE 2 HB3 PHE 2 14.946 12.003 19.425
12 HD1 PHE 2 HD1 PHE 2 12.371 12.047 22.015
13 HD2 PHE 2 HD2 PHE 2 15.511 9.710 20.222
14 HE1 PHE 2 HE1 PHE 2 11.467 9.990 23.094
15 HE2 PHE 2 HE2 PHE 2 14.592 7.660 21.271
16 HZ PHE 2 HZ PHE 2 12.575 7.800 22.727
17 H CYS 3 H CYS 3 17.744 12.626 19.639
18 HA CYS 3 HA CYS 3 18.167 15.425 18.783
19 HB2 CYS 3 HB2 CYS 3 19.589 12.783 18.403
20 HB3 CYS 3 HB3 CYS 3 19.971 14.171 17.403
21 H ASN 4 H ASN 4 17.113 16.281 16.974
22 HA ASN 4 HA ASN 4 16.171 14.505 14.814
23 HB2 ASN 4 HB2 ASN 4 15.482 17.141 15.682
24 HB3 ASN 4 HB3 ASN 4 16.145 17.332 14.078
25 HD21 ASN 4 HD21 ASN 4 12.543 15.687 14.438
26 HD22 ASN 4 HD22 ASN 4 13.400 16.430 15.795
27 H LEU 5 H LEU 5 16.851 15.207 12.486
28 HA LEU 5 HA LEU 5 19.531 16.438 12.336
29 HB2 LEU 5 HB2 LEU 5 19.794 13.902 12.447
30 HB3 LEU 5 HB3 LEU 5 19.101 13.838 10.835
31 HG LEU 5 HG LEU 5 21.577 15.480 11.607
32 HD11 LEU 5 HD11 LEU 5 22.018 13.109 11.950
33 HD12 LEU 5 HD12 LEU 5 21.343 12.707 10.357
34 HD13 LEU 5 HD13 LEU 5 22.843 13.643 10.481
35 HD21 LEU 5 HD21 LEU 5 22.076 15.405 9.170
36 HD22 LEU 5 HD22 LEU 5 20.516 14.620 8.874
37 HD23 LEU 5 HD23 LEU 5 20.598 16.290 9.492
38 H ARG 6 H ARG 6 17.119 14.851 10.165
39 HA ARG 6 HA ARG 6 17.473 16.725 8.006
40 HB2 ARG 6 HB2 ARG 6 15.317 14.712 8.731
41 HB3 ARG 6 HB3 ARG 6 15.062 15.864 7.434
42 HG2 ARG 6 HG2 ARG 6 15.835 13.745 6.548
43 HG3 ARG 6 HG3 ARG 6 16.928 15.068 6.178
44 HD2 ARG 6 HD2 ARG 6 18.199 13.111 6.649
45 HD3 ARG 6 HD3 ARG 6 18.493 14.290 7.941
46 HE ARG 6 HE ARG 6 16.435 12.624 8.891
47 HH11 ARG 6 HH11 ARG 6 19.785 12.033 7.890
48 HH12 ARG 6 HH12 ARG 6 19.811 10.569 8.869
49 HH21 ARG 6 HH21 ARG 6 16.589 10.782 9.932
50 HH22 ARG 6 HH22 ARG 6 18.116 9.912 10.047
51 H ARG 7 H ARG 7 15.158 16.826 10.798
52 HA ARG 7 HA ARG 7 14.102 19.415 9.840
53 HB2 ARG 7 HB2 ARG 7 13.759 18.001 12.495
54 HB3 ARG 7 HB3 ARG 7 12.990 19.495 12.058
55 HG2 ARG 7 HG2 ARG 7 11.944 18.320 10.046
56 HG3 ARG 7 HG3 ARG 7 12.637 16.804 10.656
57 HD2 ARG 7 HD2 ARG 7 11.417 17.234 12.828
58 HD3 ARG 7 HD3 ARG 7 10.582 18.576 12.040
59 HE ARG 7 HE ARG 7 10.318 15.658 11.455
60 HH11 ARG 7 HH11 ARG 7 9.097 18.859 10.603
61 HH12 ARG 7 HH12 ARG 7 7.561 18.194 10.106
62 HH21 ARG 7 HH21 ARG 7 8.443 14.930 10.719
63 HH22 ARG 7 HH22 ARG 7 7.155 16.006 10.217
64 H CYS 8 H CYS 8 16.649 18.369 12.030
65 HA CYS 8 HA CYS 8 17.013 20.881 13.380
66 HB2 CYS 8 HB2 CYS 8 17.744 18.750 14.358
67 HB3 CYS 8 HB3 CYS 8 18.875 18.519 13.011
68 H GLU 9 H GLU 9 18.676 19.474 10.472
69 HA GLU 9 HA GLU 9 20.489 21.632 10.060
70 HB2 GLU 9 HB2 GLU 9 19.186 19.666 8.136
71 HB3 GLU 9 HB3 GLU 9 20.375 20.873 7.620
72 HG2 GLU 9 HG2 GLU 9 22.014 19.971 9.248
73 HG3 GLU 9 HG3 GLU 9 20.878 18.709 9.704
74 H LEU 10 H LEU 10 17.111 21.288 8.918
75 HA LEU 10 HA LEU 10 17.006 23.806 7.496
76 HB2 LEU 10 HB2 LEU 10 14.763 22.204 8.809
77 HB3 LEU 10 HB3 LEU 10 14.564 23.467 7.603
78 HG LEU 10 HG LEU 10 15.944 20.800 7.128
79 HD11 LEU 10 HD11 LEU 10 13.196 21.767 6.249
80 HD12 LEU 10 HD12 LEU 10 13.944 20.207 5.841
81 HD13 LEU 10 HD13 LEU 10 13.507 20.567 7.519
82 HD21 LEU 10 HD21 LEU 10 15.747 21.386 4.731
83 HD22 LEU 10 HD22 LEU 10 15.145 22.999 5.184
84 HD23 LEU 10 HD23 LEU 10 16.793 22.497 5.621
85 H SER 11 H SER 11 16.174 22.865 10.836
86 HA SER 11 HA SER 11 15.131 25.367 11.719
87 HB2 SER 11 HB2 SER 11 14.840 23.182 12.831
88 HB3 SER 11 HB3 SER 11 16.543 23.154 13.272
89 HG SER 11 HG SER 11 14.853 23.914 14.808
90 H CYS 12 H CYS 12 18.481 24.049 11.955
91 HA CYS 12 HA CYS 12 19.568 26.434 13.142
92 HB2 CYS 12 HB2 CYS 12 20.800 24.068 11.682
93 HB3 CYS 12 HB3 CYS 12 21.747 25.345 12.424
94 H ARG 13 H ARG 13 19.146 25.534 9.696
95 HA ARG 13 HA ARG 13 20.865 27.581 8.674
96 HB2 ARG 13 HB2 ARG 13 19.916 25.592 7.441
97 HB3 ARG 13 HB3 ARG 13 18.407 26.492 7.276
98 HG2 ARG 13 HG2 ARG 13 19.606 28.321 6.097
99 HG3 ARG 13 HG3 ARG 13 21.152 27.491 6.368
100 HD2 ARG 13 HD2 ARG 13 18.847 26.520 4.663
101 HD3 ARG 13 HD3 ARG 13 20.351 27.212 4.090
102 HE ARG 13 HE ARG 13 21.558 25.242 5.034
103 HH11 ARG 13 HH11 ARG 13 18.048 24.711 4.722
104 HH12 ARG 13 HH12 ARG 13 18.350 23.014 4.353
105 HH21 ARG 13 HH21 ARG 13 21.691 23.073 4.740
106 HH22 ARG 13 HH22 ARG 13 20.216 22.155 4.433
107 H SER 14 H SER 14 17.589 27.821 9.952
108 HA SER 14 HA SER 14 17.044 30.482 9.064
109 HB2 SER 14 HB2 SER 14 16.010 28.923 11.448
110 HB3 SER 14 HB3 SER 14 15.355 30.473 10.880
111 HG SER 14 HG SER 14 14.350 29.474 9.392
112 H LEU 15 H LEU 15 19.610 29.643 11.054
113 HA LEU 15 HA LEU 15 19.904 32.503 11.833
114 HB2 LEU 15 HB2 LEU 15 20.768 30.015 13.347
115 HB3 LEU 15 HB3 LEU 15 21.275 31.649 13.775
116 HG LEU 15 HG LEU 15 18.376 30.697 13.770
117 HD11 LEU 15 HD11 LEU 15 18.590 30.658 16.214
118 HD12 LEU 15 HD12 LEU 15 19.711 29.510 15.455
119 HD13 LEU 15 HD13 LEU 15 20.319 31.064 16.086
120 HD21 LEU 15 HD21 LEU 15 17.990 32.737 15.135
121 HD22 LEU 15 HD22 LEU 15 19.683 33.215 14.902
122 HD23 LEU 15 HD23 LEU 15 18.568 33.149 13.519
123 H GLY 16 H GLY 16 20.799 30.373 9.617
124 HA2 GLY 16 HA2 GLY 16 22.525 30.275 8.114
125 HA3 GLY 16 HA3 GLY 16 23.419 31.482 9.032
126 H LEU 17 H LEU 17 22.269 28.376 10.405
127 HA LEU 17 HA LEU 17 25.122 27.600 10.869
128 HB2 LEU 17 HB2 LEU 17 22.784 27.002 12.657
129 HB3 LEU 17 HB3 LEU 17 24.479 26.856 13.056
130 HG LEU 17 HG LEU 17 22.985 29.429 12.563
131 HD11 LEU 17 HD11 LEU 17 23.825 28.360 15.254
132 HD12 LEU 17 HD12 LEU 17 23.058 29.914 14.918
133 HD13 LEU 17 HD13 LEU 17 22.146 28.429 14.624
134 HD21 LEU 17 HD21 LEU 17 25.684 28.855 13.809
135 HD22 LEU 17 HD22 LEU 17 25.442 29.556 12.177
136 HD23 LEU 17 HD23 LEU 17 24.967 30.478 13.616
137 H LEU 18 H LEU 18 25.500 25.395 11.345
138 HA LEU 18 HA LEU 18 23.967 23.409 9.741
139 HB2 LEU 18 HB2 LEU 18 26.346 23.456 9.318
140 HB3 LEU 18 HB3 LEU 18 26.709 23.451 11.040
141 HG LEU 18 HG LEU 18 25.819 21.146 11.230
142 HD11 LEU 18 HD11 LEU 18 25.661 21.260 8.180
143 HD12 LEU 18 HD12 LEU 18 25.423 19.815 9.188
144 HD13 LEU 18 HD13 LEU 18 24.263 21.142 9.257
145 HD21 LEU 18 HD21 LEU 18 27.686 20.039 10.062
146 HD22 LEU 18 HD22 LEU 18 27.984 21.514 9.122
147 HD23 LEU 18 HD23 LEU 18 28.216 21.510 10.888
148 H GLY 19 H GLY 19 23.129 21.523 10.792
149 HA2 GLY 19 HA2 GLY 19 22.718 21.728 13.750
150 HA3 GLY 19 HA3 GLY 19 21.603 20.973 12.627
151 H LYS 20 H LYS 20 23.610 20.213 14.991
152 HA LYS 20 HA LYS 20 24.195 17.443 14.060
153 HB2 LYS 20 HB2 LYS 20 26.180 19.453 15.100
154 HB3 LYS 20 HB3 LYS 20 26.404 17.729 15.426
155 HG2 LYS 20 HG2 LYS 20 26.493 17.158 13.109
156 HG3 LYS 20 HG3 LYS 20 25.910 18.748 12.606
157 HD2 LYS 20 HD2 LYS 20 28.244 18.579 12.171
158 HD3 LYS 20 HD3 LYS 20 27.904 19.823 13.395
159 HE2 LYS 20 HE2 LYS 20 28.773 18.474 15.168
160 HE3 LYS 20 HE3 LYS 20 28.737 17.008 14.181
161 HZ1 LYS 20 HZ1 LYS 20 30.984 18.000 14.465
162 HZ2 LYS 20 HZ2 LYS 20 30.540 17.810 12.893
163 HZ3 LYS 20 HZ3 LYS 20 30.531 19.298 13.597
164 H CYS 21 H CYS 21 23.979 15.880 15.647
165 HA CYS 21 HA CYS 21 22.662 16.523 18.151
166 HB2 CYS 21 HB2 CYS 21 22.186 14.517 16.818
167 HB3 CYS 21 HB3 CYS 21 23.833 13.959 17.064
168 H ILE 22 H ILE 22 23.408 16.477 20.243
169 HA ILE 22 HA ILE 22 26.272 15.768 20.750
170 HB ILE 22 HB ILE 22 26.221 17.372 22.644
171 HG12 ILE 22 HG12 ILE 22 23.864 18.730 21.313
172 HG13 ILE 22 HG13 ILE 22 23.603 17.522 22.576
173 HG21 ILE 22 HG21 ILE 22 27.345 17.803 20.496
174 HG22 ILE 22 HG22 ILE 22 25.890 18.627 19.916
175 HG23 ILE 22 HG23 ILE 22 26.798 19.270 21.307
176 HD11 ILE 22 HD11 ILE 22 24.912 18.819 24.188
177 HD12 ILE 22 HD12 ILE 22 25.238 20.040 22.944
178 HD13 ILE 22 HD13 ILE 22 23.585 19.789 23.501
179 H GLY 23 H GLY 23 23.494 14.337 21.062
180 HA2 GLY 23 HA2 GLY 23 24.020 12.224 22.492
181 HA3 GLY 23 HA3 GLY 23 23.802 13.339 23.855
182 H GLU 24 H GLU 24 21.711 14.762 23.550
183 HA GLU 24 HA GLU 24 19.420 13.211 22.424
184 HB2 GLU 24 HB2 GLU 24 19.334 14.420 25.195
185 HB3 GLU 24 HB3 GLU 24 18.171 13.342 24.424
186 HG2 GLU 24 HG2 GLU 24 19.828 11.495 24.530
187 HG3 GLU 24 HG3 GLU 24 20.969 12.567 25.358
188 H GLU 25 H GLU 25 20.985 16.142 22.516
189 HA GLU 25 HA GLU 25 18.561 17.529 21.474
190 HB2 GLU 25 HB2 GLU 25 19.393 18.480 23.688
191 HB3 GLU 25 HB3 GLU 25 20.922 18.811 22.904
192 HG2 GLU 25 HG2 GLU 25 19.684 20.844 22.944
193 HG3 GLU 25 HG3 GLU 25 19.741 20.305 21.271
194 H CYS 26 H CYS 26 18.780 18.251 19.399
195 HA CYS 26 HA CYS 26 21.470 18.182 18.133
196 HB2 CYS 26 HB2 CYS 26 19.577 17.133 16.992
197 HB3 CYS 26 HB3 CYS 26 18.760 18.703 16.896
198 H LYS 27 H LYS 27 22.726 19.884 18.108
199 HA LYS 27 HA LYS 27 21.607 22.573 18.831
200 HB2 LYS 27 HB2 LYS 27 23.614 23.121 19.820
201 HB3 LYS 27 HB3 LYS 27 23.236 21.505 20.397
202 HG2 LYS 27 HG2 LYS 27 24.845 20.533 18.769
203 HG3 LYS 27 HG3 LYS 27 25.236 22.150 18.164
204 HD2 LYS 27 HD2 LYS 27 25.597 21.237 21.023
205 HD3 LYS 27 HD3 LYS 27 26.888 21.291 19.797
206 HE2 LYS 27 HE2 LYS 27 26.484 23.770 19.570
207 HE3 LYS 27 HE3 LYS 27 25.306 23.647 20.891
208 HZ1 LYS 27 HZ1 LYS 27 28.218 23.228 21.036
209 HZ2 LYS 27 HZ2 LYS 27 27.316 24.289 21.859
210 HZ3 LYS 27 HZ3 LYS 27 27.209 22.718 22.259
211 H CYS 28 H CYS 28 22.826 24.452 17.958
212 HA CYS 28 HA CYS 28 23.439 24.006 15.084
213 HB2 CYS 28 HB2 CYS 28 22.698 26.571 16.469
214 HB3 CYS 28 HB3 CYS 28 22.983 26.330 14.750
215 H VAL 29 H VAL 29 25.208 24.962 14.073
216 HA VAL 29 HA VAL 29 27.365 26.145 15.697
217 HB VAL 29 HB VAL 29 29.024 24.483 14.891
218 HG11 VAL 29 HG11 VAL 29 26.917 23.189 16.640
219 HG12 VAL 29 HG12 VAL 29 28.650 22.842 16.592
220 HG13 VAL 29 HG13 VAL 29 28.086 24.408 17.201
221 HG21 VAL 29 HG21 VAL 29 27.857 23.446 13.026
222 HG22 VAL 29 HG22 VAL 29 28.330 22.238 14.221
223 HG23 VAL 29 HG23 VAL 29 26.639 22.763 14.133
224 HA PRO 30 HA PRO 30 28.451 27.875 11.658
225 HB2 PRO 30 HB2 PRO 30 30.847 28.989 12.170
226 HB3 PRO 30 HB3 PRO 30 29.349 29.568 12.951
227 HG2 PRO 30 HG2 PRO 30 31.411 27.651 14.096
228 HG3 PRO 30 HG3 PRO 30 30.719 29.108 14.870
229 HD2 PRO 30 HD2 PRO 30 29.758 26.549 15.263
230 HD3 PRO 30 HD3 PRO 30 28.714 28.002 15.363
231 H HIS 31 H HIS 31 28.333 25.571 11.247
232 HA HIS 31 HA HIS 31 28.956 23.680 10.146
233 HB2 HIS 31 HB2 HIS 31 30.682 25.694 8.744
234 HB3 HIS 31 HB3 HIS 31 30.083 24.181 8.049
235 HD2 HIS 31 HD2 HIS 31 27.573 24.159 7.199
236 HE1 HIS 31 HE1 HIS 31 26.513 28.133 8.264
237 HE2 HIS 31 HE2 HIS 31 25.779 26.105 6.942
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 13.418 12.382 25.630
2 H2 ALA 1 H2 ALA 1 12.018 12.518 24.784
3 H3 ALA 1 H3 ALA 1 12.393 13.631 25.938
4 HA ALA 1 HA ALA 1 12.712 14.474 23.685
5 HB1 ALA 1 HB1 ALA 1 15.025 15.341 24.040
6 HB2 ALA 1 HB2 ALA 1 14.034 15.498 25.494
7 HB3 ALA 1 HB3 ALA 1 15.241 14.197 25.380
8 H PHE 2 H PHE 2 13.445 14.142 21.649
9 HA PHE 2 HA PHE 2 15.420 11.955 21.133
10 HB2 PHE 2 HB2 PHE 2 13.061 12.730 19.392
11 HB3 PHE 2 HB3 PHE 2 14.237 11.477 19.056
12 HD1 PHE 2 HD1 PHE 2 14.430 9.915 21.537
13 HD2 PHE 2 HD2 PHE 2 10.981 11.673 19.640
14 HE1 PHE 2 HE1 PHE 2 12.967 8.237 22.629
15 HE2 PHE 2 HE2 PHE 2 9.523 9.993 20.733
16 HZ PHE 2 HZ PHE 2 10.511 8.276 22.230
17 H CYS 3 H CYS 3 17.015 12.385 19.670
18 HA CYS 3 HA CYS 3 17.533 15.225 19.079
19 HB2 CYS 3 HB2 CYS 3 19.128 13.474 20.138
20 HB3 CYS 3 HB3 CYS 3 19.281 12.800 18.528
21 H ASN 4 H ASN 4 16.912 16.095 17.055
22 HA ASN 4 HA ASN 4 16.686 14.231 14.768
23 HB2 ASN 4 HB2 ASN 4 15.094 16.351 15.474
24 HB3 ASN 4 HB3 ASN 4 16.148 17.134 14.311
25 HD21 ASN 4 HD21 ASN 4 13.356 15.335 14.616
26 HD22 ASN 4 HD22 ASN 4 13.335 14.573 13.027
27 H LEU 5 H LEU 5 17.575 14.923 12.687
28 HA LEU 5 HA LEU 5 20.015 16.595 12.794
29 HB2 LEU 5 HB2 LEU 5 20.697 14.203 13.018
30 HB3 LEU 5 HB3 LEU 5 19.948 13.846 11.479
31 HG LEU 5 HG LEU 5 22.355 14.022 11.347
32 HD11 LEU 5 HD11 LEU 5 21.240 16.391 9.812
33 HD12 LEU 5 HD12 LEU 5 22.635 15.386 9.419
34 HD13 LEU 5 HD13 LEU 5 21.016 14.681 9.343
35 HD21 LEU 5 HD21 LEU 5 22.710 15.705 13.143
36 HD22 LEU 5 HD22 LEU 5 23.594 16.079 11.653
37 HD23 LEU 5 HD23 LEU 5 22.119 16.977 12.043
38 H ARG 6 H ARG 6 18.056 14.625 10.487
39 HA ARG 6 HA ARG 6 18.385 16.397 8.292
40 HB2 ARG 6 HB2 ARG 6 16.248 14.317 8.926
41 HB3 ARG 6 HB3 ARG 6 16.413 15.122 7.358
42 HG2 ARG 6 HG2 ARG 6 18.677 14.242 7.069
43 HG3 ARG 6 HG3 ARG 6 18.664 13.524 8.682
44 HD2 ARG 6 HD2 ARG 6 18.214 11.771 7.078
45 HD3 ARG 6 HD3 ARG 6 16.771 12.071 8.037
46 HE ARG 6 HE ARG 6 15.658 12.921 6.217
47 HH11 ARG 6 HH11 ARG 6 19.039 12.538 5.264
48 HH12 ARG 6 HH12 ARG 6 18.656 12.645 3.557
49 HH21 ARG 6 HH21 ARG 6 15.295 13.106 4.002
50 HH22 ARG 6 HH22 ARG 6 16.613 12.776 2.878
51 H ARG 7 H ARG 7 15.736 16.319 10.672
52 HA ARG 7 HA ARG 7 14.600 18.853 9.583
53 HB2 ARG 7 HB2 ARG 7 13.800 16.994 11.827
54 HB3 ARG 7 HB3 ARG 7 13.092 18.572 11.668
55 HG2 ARG 7 HG2 ARG 7 12.254 18.002 9.407
56 HG3 ARG 7 HG3 ARG 7 13.081 16.430 9.480
57 HD2 ARG 7 HD2 ARG 7 11.743 15.808 11.456
58 HD3 ARG 7 HD3 ARG 7 10.886 17.360 11.387
59 HE ARG 7 HE ARG 7 10.571 16.188 8.848
60 HH11 ARG 7 HH11 ARG 7 9.851 15.070 12.102
61 HH12 ARG 7 HH12 ARG 7 8.594 13.994 11.524
62 HH21 ARG 7 HH21 ARG 7 8.705 15.122 8.269
63 HH22 ARG 7 HH22 ARG 7 7.851 14.172 9.466
64 H CYS 8 H CYS 8 16.911 18.001 12.050
65 HA CYS 8 HA CYS 8 16.650 20.409 13.644
66 HB2 CYS 8 HB2 CYS 8 17.894 18.566 14.589
67 HB3 CYS 8 HB3 CYS 8 19.001 18.544 13.202
68 H GLU 9 H GLU 9 18.668 19.574 10.775
69 HA GLU 9 HA GLU 9 20.124 21.908 10.374
70 HB2 GLU 9 HB2 GLU 9 18.681 20.082 8.415
71 HB3 GLU 9 HB3 GLU 9 19.780 21.350 7.886
72 HG2 GLU 9 HG2 GLU 9 20.761 19.294 9.885
73 HG3 GLU 9 HG3 GLU 9 20.618 18.876 8.181
74 H LEU 10 H LEU 10 16.714 21.395 9.462
75 HA LEU 10 HA LEU 10 16.278 23.851 8.090
76 HB2 LEU 10 HB2 LEU 10 14.213 22.313 9.702
77 HB3 LEU 10 HB3 LEU 10 13.949 23.332 8.298
78 HG LEU 10 HG LEU 10 15.338 20.626 8.281
79 HD11 LEU 10 HD11 LEU 10 13.337 19.868 7.093
80 HD12 LEU 10 HD12 LEU 10 12.897 20.527 8.681
81 HD13 LEU 10 HD13 LEU 10 12.620 21.490 7.215
82 HD21 LEU 10 HD21 LEU 10 16.238 22.060 6.493
83 HD22 LEU 10 HD22 LEU 10 15.197 20.808 5.815
84 HD23 LEU 10 HD23 LEU 10 14.591 22.473 5.969
85 H SER 11 H SER 11 16.339 23.155 11.552
86 HA SER 11 HA SER 11 15.222 25.740 12.384
87 HB2 SER 11 HB2 SER 11 15.048 23.730 13.814
88 HB3 SER 11 HB3 SER 11 16.819 23.667 13.941
89 HG SER 11 HG SER 11 15.940 24.657 15.694
90 H CYS 12 H CYS 12 18.487 24.255 12.247
91 HA CYS 12 HA CYS 12 19.928 26.527 13.138
92 HB2 CYS 12 HB2 CYS 12 20.719 24.228 11.294
93 HB3 CYS 12 HB3 CYS 12 21.852 25.336 12.040
94 H ARG 13 H ARG 13 18.809 25.730 9.875
95 HA ARG 13 HA ARG 13 20.179 27.779 8.459
96 HB2 ARG 13 HB2 ARG 13 17.638 26.201 7.956
97 HB3 ARG 13 HB3 ARG 13 18.225 27.413 6.798
98 HG2 ARG 13 HG2 ARG 13 20.352 26.312 6.572
99 HG3 ARG 13 HG3 ARG 13 20.038 25.236 7.914
100 HD2 ARG 13 HD2 ARG 13 18.202 24.169 6.568
101 HD3 ARG 13 HD3 ARG 13 18.752 25.126 5.172
102 HE ARG 13 HE ARG 13 21.030 23.899 6.321
103 HH11 ARG 13 HH11 ARG 13 18.151 22.602 4.779
104 HH12 ARG 13 HH12 ARG 13 18.925 21.016 4.627
105 HH21 ARG 13 HH21 ARG 13 21.956 22.024 5.817
106 HH22 ARG 13 HH22 ARG 13 21.004 20.734 5.117
107 H SER 14 H SER 14 17.549 28.231 10.689
108 HA SER 14 HA SER 14 16.560 30.750 9.795
109 HB2 SER 14 HB2 SER 14 15.922 31.149 12.106
110 HB3 SER 14 HB3 SER 14 15.559 29.477 11.657
111 HG SER 14 HG SER 14 17.204 28.753 12.865
112 H LEU 15 H LEU 15 19.669 29.987 11.265
113 HA LEU 15 HA LEU 15 20.506 32.856 11.060
114 HB2 LEU 15 HB2 LEU 15 21.367 30.730 13.048
115 HB3 LEU 15 HB3 LEU 15 22.062 32.351 12.943
116 HG LEU 15 HG LEU 15 19.157 31.760 13.623
117 HD11 LEU 15 HD11 LEU 15 20.663 30.888 15.348
118 HD12 LEU 15 HD12 LEU 15 21.527 32.444 15.410
119 HD13 LEU 15 HD13 LEU 15 19.836 32.342 15.927
120 HD21 LEU 15 HD21 LEU 15 19.131 34.097 14.438
121 HD22 LEU 15 HD22 LEU 15 20.795 34.320 13.867
122 HD23 LEU 15 HD23 LEU 15 19.482 34.041 12.704
123 H GLY 16 H GLY 16 20.596 30.445 9.180
124 HA2 GLY 16 HA2 GLY 16 22.020 29.574 7.583
125 HA3 GLY 16 HA3 GLY 16 23.109 30.924 7.934
126 H LEU 17 H LEU 17 22.286 28.543 10.436
127 HA LEU 17 HA LEU 17 25.123 27.779 10.693
128 HB2 LEU 17 HB2 LEU 17 22.742 27.031 12.381
129 HB3 LEU 17 HB3 LEU 17 24.417 26.782 12.821
130 HG LEU 17 HG LEU 17 23.058 29.429 12.402
131 HD11 LEU 17 HD11 LEU 17 23.724 28.186 15.069
132 HD12 LEU 17 HD12 LEU 17 22.970 29.753 14.784
133 HD13 LEU 17 HD13 LEU 17 22.084 28.283 14.353
134 HD21 LEU 17 HD21 LEU 17 25.006 30.356 13.641
135 HD22 LEU 17 HD22 LEU 17 25.675 28.708 13.740
136 HD23 LEU 17 HD23 LEU 17 25.517 29.537 12.157
137 H LEU 18 H LEU 18 25.569 25.539 11.297
138 HA LEU 18 HA LEU 18 24.305 23.446 9.579
139 HB2 LEU 18 HB2 LEU 18 26.685 23.777 9.182
140 HB3 LEU 18 HB3 LEU 18 27.013 23.802 10.909
141 HG LEU 18 HG LEU 18 26.344 21.381 11.039
142 HD11 LEU 18 HD11 LEU 18 24.978 21.235 8.978
143 HD12 LEU 18 HD12 LEU 18 26.407 21.602 7.995
144 HD13 LEU 18 HD13 LEU 18 26.324 20.088 8.921
145 HD21 LEU 18 HD21 LEU 18 28.695 22.049 10.928
146 HD22 LEU 18 HD22 LEU 18 28.436 20.552 10.015
147 HD23 LEU 18 HD23 LEU 18 28.619 22.096 9.154
148 H GLY 19 H GLY 19 23.327 21.680 10.635
149 HA2 GLY 19 HA2 GLY 19 23.023 21.838 13.604
150 HA3 GLY 19 HA3 GLY 19 21.997 20.952 12.483
151 H LYS 20 H LYS 20 23.786 20.366 14.989
152 HA LYS 20 HA LYS 20 24.604 17.647 14.101
153 HB2 LYS 20 HB2 LYS 20 26.324 19.696 15.565
154 HB3 LYS 20 HB3 LYS 20 26.649 17.975 15.669
155 HG2 LYS 20 HG2 LYS 20 26.631 19.556 13.054
156 HG3 LYS 20 HG3 LYS 20 28.063 19.129 14.001
157 HD2 LYS 20 HD2 LYS 20 27.477 16.716 13.785
158 HD3 LYS 20 HD3 LYS 20 26.137 17.142 12.706
159 HE2 LYS 20 HE2 LYS 20 27.561 17.913 11.002
160 HE3 LYS 20 HE3 LYS 20 28.954 18.060 12.106
161 HZ1 LYS 20 HZ1 LYS 20 29.051 16.072 10.677
162 HZ2 LYS 20 HZ2 LYS 20 29.096 15.732 12.281
163 HZ3 LYS 20 HZ3 LYS 20 27.702 15.467 11.417
164 H CYS 21 H CYS 21 24.319 16.040 15.560
165 HA CYS 21 HA CYS 21 22.524 16.620 17.795
166 HB2 CYS 21 HB2 CYS 21 22.139 14.691 16.315
167 HB3 CYS 21 HB3 CYS 21 23.693 13.999 16.818
168 H ILE 22 H ILE 22 23.015 16.732 19.952
169 HA ILE 22 HA ILE 22 25.802 16.292 20.833
170 HB ILE 22 HB ILE 22 23.376 17.333 22.303
171 HG12 ILE 22 HG12 ILE 22 24.075 18.913 20.622
172 HG13 ILE 22 HG13 ILE 22 24.468 19.514 22.219
173 HG21 ILE 22 HG21 ILE 22 25.001 18.068 24.047
174 HG22 ILE 22 HG22 ILE 22 24.820 16.317 23.941
175 HG23 ILE 22 HG23 ILE 22 26.256 17.098 23.243
176 HD11 ILE 22 HD11 ILE 22 26.293 20.034 20.712
177 HD12 ILE 22 HD12 ILE 22 26.873 18.821 21.855
178 HD13 ILE 22 HD13 ILE 22 26.430 18.350 20.194
179 H GLY 23 H GLY 23 22.633 14.809 21.284
180 HA2 GLY 23 HA2 GLY 23 23.538 12.183 21.537
181 HA3 GLY 23 HA3 GLY 23 23.457 12.794 23.193
182 H GLU 24 H GLU 24 21.281 14.289 23.332
183 HA GLU 24 HA GLU 24 18.932 12.708 22.336
184 HB2 GLU 24 HB2 GLU 24 17.811 12.931 24.424
185 HB3 GLU 24 HB3 GLU 24 19.391 12.201 24.709
186 HG2 GLU 24 HG2 GLU 24 20.253 14.431 25.455
187 HG3 GLU 24 HG3 GLU 24 18.638 15.113 25.231
188 H GLU 25 H GLU 25 20.463 15.665 22.247
189 HA GLU 25 HA GLU 25 18.130 16.953 20.986
190 HB2 GLU 25 HB2 GLU 25 17.992 17.628 23.324
191 HB3 GLU 25 HB3 GLU 25 19.699 18.078 23.334
192 HG2 GLU 25 HG2 GLU 25 19.293 19.950 21.853
193 HG3 GLU 25 HG3 GLU 25 17.645 19.392 21.532
194 H CYS 26 H CYS 26 18.673 18.369 19.354
195 HA CYS 26 HA CYS 26 21.458 18.293 18.433
196 HB2 CYS 26 HB2 CYS 26 19.534 17.666 17.024
197 HB3 CYS 26 HB3 CYS 26 18.929 19.312 17.144
198 H LYS 27 H LYS 27 22.758 20.011 17.892
199 HA LYS 27 HA LYS 27 22.181 22.699 19.006
200 HB2 LYS 27 HB2 LYS 27 23.564 21.436 20.568
201 HB3 LYS 27 HB3 LYS 27 24.572 20.843 19.244
202 HG2 LYS 27 HG2 LYS 27 25.840 22.453 20.398
203 HG3 LYS 27 HG3 LYS 27 25.402 23.144 18.845
204 HD2 LYS 27 HD2 LYS 27 23.468 24.345 20.128
205 HD3 LYS 27 HD3 LYS 27 24.303 23.806 21.610
206 HE2 LYS 27 HE2 LYS 27 26.424 24.755 20.554
207 HE3 LYS 27 HE3 LYS 27 25.392 25.465 19.307
208 HZ1 LYS 27 HZ1 LYS 27 24.303 26.798 21.043
209 HZ2 LYS 27 HZ2 LYS 27 25.145 26.026 22.225
210 HZ3 LYS 27 HZ3 LYS 27 25.941 27.000 21.197
211 H CYS 28 H CYS 28 22.587 24.311 17.616
212 HA CYS 28 HA CYS 28 23.652 23.744 14.960
213 HB2 CYS 28 HB2 CYS 28 22.760 26.332 16.242
214 HB3 CYS 28 HB3 CYS 28 23.086 26.084 14.519
215 H VAL 29 H VAL 29 25.360 25.000 13.931
216 HA VAL 29 HA VAL 29 27.397 26.281 15.619
217 HB VAL 29 HB VAL 29 29.241 24.896 14.775
218 HG11 VAL 29 HG11 VAL 29 27.243 23.178 16.273
219 HG12 VAL 29 HG12 VAL 29 29.021 23.043 16.272
220 HG13 VAL 29 HG13 VAL 29 28.243 24.455 17.011
221 HG21 VAL 29 HG21 VAL 29 28.805 22.614 13.894
222 HG22 VAL 29 HG22 VAL 29 27.088 23.009 13.732
223 HG23 VAL 29 HG23 VAL 29 28.305 23.885 12.775
224 HA PRO 30 HA PRO 30 27.573 28.569 11.881
225 HB2 PRO 30 HB2 PRO 30 29.404 30.462 12.455
226 HB3 PRO 30 HB3 PRO 30 27.988 30.138 13.499
227 HG2 PRO 30 HG2 PRO 30 30.791 29.047 13.870
228 HG3 PRO 30 HG3 PRO 30 29.796 29.965 15.062
229 HD2 PRO 30 HD2 PRO 30 29.869 27.208 14.970
230 HD3 PRO 30 HD3 PRO 30 28.430 28.144 15.470
231 H HIS 31 H HIS 31 29.283 26.115 11.757
232 HA HIS 31 HA HIS 31 31.626 26.778 10.155
233 HB2 HIS 31 HB2 HIS 31 30.360 24.054 10.512
234 HB3 HIS 31 HB3 HIS 31 31.999 24.409 9.968
235 HD2 HIS 31 HD2 HIS 31 30.859 22.811 12.749
236 HE1 HIS 31 HE1 HIS 31 33.166 25.823 14.682
237 HE2 HIS 31 HE2 HIS 31 32.041 23.569 14.996
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 17.464 8.638 24.173
2 H2 ALA 1 H2 ALA 1 16.724 8.266 22.758
3 H3 ALA 1 H3 ALA 1 15.900 9.095 23.904
4 HA ALA 1 HA ALA 1 17.487 10.934 23.717
5 HB1 ALA 1 HB1 ALA 1 19.372 9.652 22.804
6 HB2 ALA 1 HB2 ALA 1 18.462 9.317 21.320
7 HB3 ALA 1 HB3 ALA 1 18.942 10.983 21.715
8 H PHE 2 H PHE 2 16.018 12.420 23.305
9 HA PHE 2 HA PHE 2 14.007 12.053 21.182
10 HB2 PHE 2 HB2 PHE 2 14.267 14.164 23.345
11 HB3 PHE 2 HB3 PHE 2 12.902 13.933 22.258
12 HD1 PHE 2 HD1 PHE 2 11.414 11.939 22.464
13 HD2 PHE 2 HD2 PHE 2 14.597 12.677 25.284
14 HE1 PHE 2 HE1 PHE 2 10.442 10.262 24.007
15 HE2 PHE 2 HE2 PHE 2 13.646 10.972 26.805
16 HZ PHE 2 HZ PHE 2 11.551 9.762 26.177
17 H CYS 3 H CYS 3 16.561 12.445 20.128
18 HA CYS 3 HA CYS 3 16.943 15.271 19.444
19 HB2 CYS 3 HB2 CYS 3 18.660 13.339 20.111
20 HB3 CYS 3 HB3 CYS 3 18.635 13.026 18.376
21 H ASN 4 H ASN 4 17.565 15.894 17.167
22 HA ASN 4 HA ASN 4 16.359 14.291 14.979
23 HB2 ASN 4 HB2 ASN 4 16.079 17.296 15.480
24 HB3 ASN 4 HB3 ASN 4 15.845 16.555 13.910
25 HD21 ASN 4 HD21 ASN 4 12.690 15.191 14.646
26 HD22 ASN 4 HD22 ASN 4 14.088 15.043 13.590
27 H LEU 5 H LEU 5 17.336 14.825 12.889
28 HA LEU 5 HA LEU 5 19.916 16.299 12.970
29 HB2 LEU 5 HB2 LEU 5 20.538 13.998 13.289
30 HB3 LEU 5 HB3 LEU 5 19.549 13.483 11.923
31 HG LEU 5 HG LEU 5 21.011 14.685 10.357
32 HD11 LEU 5 HD11 LEU 5 22.671 15.390 12.816
33 HD12 LEU 5 HD12 LEU 5 23.201 15.585 11.135
34 HD13 LEU 5 HD13 LEU 5 21.846 16.542 11.734
35 HD21 LEU 5 HD21 LEU 5 22.971 13.221 10.605
36 HD22 LEU 5 HD22 LEU 5 22.533 12.906 12.294
37 HD23 LEU 5 HD23 LEU 5 21.476 12.331 10.994
38 H ARG 6 H ARG 6 17.831 14.516 10.612
39 HA ARG 6 HA ARG 6 18.380 16.277 8.432
40 HB2 ARG 6 HB2 ARG 6 17.471 13.944 8.350
41 HB3 ARG 6 HB3 ARG 6 15.896 14.566 8.877
42 HG2 ARG 6 HG2 ARG 6 15.878 16.041 6.825
43 HG3 ARG 6 HG3 ARG 6 17.394 15.285 6.311
44 HD2 ARG 6 HD2 ARG 6 14.746 13.849 6.791
45 HD3 ARG 6 HD3 ARG 6 15.372 14.340 5.224
46 HE ARG 6 HE ARG 6 16.588 12.265 7.016
47 HH11 ARG 6 HH11 ARG 6 16.055 13.428 3.713
48 HH12 ARG 6 HH12 ARG 6 16.900 12.045 3.025
49 HH21 ARG 6 HH21 ARG 6 17.345 10.361 5.927
50 HH22 ARG 6 HH22 ARG 6 17.190 10.337 4.194
51 H ARG 7 H ARG 7 15.661 16.315 10.734
52 HA ARG 7 HA ARG 7 14.506 18.853 9.891
53 HB2 ARG 7 HB2 ARG 7 13.195 17.307 11.166
54 HB3 ARG 7 HB3 ARG 7 14.408 17.155 12.402
55 HG2 ARG 7 HG2 ARG 7 12.515 18.368 13.259
56 HG3 ARG 7 HG3 ARG 7 13.970 19.349 13.292
57 HD2 ARG 7 HD2 ARG 7 12.133 20.724 12.643
58 HD3 ARG 7 HD3 ARG 7 13.189 20.541 11.232
59 HE ARG 7 HE ARG 7 11.183 18.516 11.095
60 HH11 ARG 7 HH11 ARG 7 11.179 22.012 11.093
61 HH12 ARG 7 HH12 ARG 7 9.672 22.081 10.202
62 HH21 ARG 7 HH21 ARG 7 9.468 18.638 9.844
63 HH22 ARG 7 HH22 ARG 7 8.831 20.203 9.317
64 H CYS 8 H CYS 8 16.878 17.980 12.363
65 HA CYS 8 HA CYS 8 17.144 20.486 13.637
66 HB2 CYS 8 HB2 CYS 8 18.064 18.335 14.502
67 HB3 CYS 8 HB3 CYS 8 19.273 18.366 13.217
68 H GLU 9 H GLU 9 18.951 19.349 10.718
69 HA GLU 9 HA GLU 9 20.489 21.739 10.313
70 HB2 GLU 9 HB2 GLU 9 19.347 19.703 8.350
71 HB3 GLU 9 HB3 GLU 9 20.508 20.970 7.909
72 HG2 GLU 9 HG2 GLU 9 22.207 20.010 9.317
73 HG3 GLU 9 HG3 GLU 9 21.103 18.856 10.014
74 H LEU 10 H LEU 10 17.096 21.107 9.395
75 HA LEU 10 HA LEU 10 16.860 23.542 7.805
76 HB2 LEU 10 HB2 LEU 10 14.672 21.871 9.088
77 HB3 LEU 10 HB3 LEU 10 14.470 23.098 7.845
78 HG LEU 10 HG LEU 10 15.925 20.441 7.507
79 HD11 LEU 10 HD11 LEU 10 13.462 20.273 7.685
80 HD12 LEU 10 HD12 LEU 10 13.292 21.479 6.387
81 HD13 LEU 10 HD13 LEU 10 14.020 19.897 6.051
82 HD21 LEU 10 HD21 LEU 10 16.955 22.111 6.028
83 HD22 LEU 10 HD22 LEU 10 15.934 21.031 5.079
84 HD23 LEU 10 HD23 LEU 10 15.348 22.660 5.486
85 H SER 11 H SER 11 16.179 22.644 11.188
86 HA SER 11 HA SER 11 15.116 25.162 12.047
87 HB2 SER 11 HB2 SER 11 16.695 23.117 13.652
88 HB3 SER 11 HB3 SER 11 15.625 24.374 14.291
89 HG SER 11 HG SER 11 14.584 22.396 14.183
90 H CYS 12 H CYS 12 18.486 24.123 11.581
91 HA CYS 12 HA CYS 12 19.545 26.488 12.900
92 HB2 CYS 12 HB2 CYS 12 20.784 24.254 11.298
93 HB3 CYS 12 HB3 CYS 12 21.700 25.595 11.993
94 H ARG 13 H ARG 13 18.409 26.009 9.689
95 HA ARG 13 HA ARG 13 19.742 28.074 8.257
96 HB2 ARG 13 HB2 ARG 13 16.746 27.477 8.252
97 HB3 ARG 13 HB3 ARG 13 17.633 28.394 7.043
98 HG2 ARG 13 HG2 ARG 13 19.029 26.352 6.558
99 HG3 ARG 13 HG3 ARG 13 17.956 25.432 7.613
100 HD2 ARG 13 HD2 ARG 13 17.243 26.901 5.056
101 HD3 ARG 13 HD3 ARG 13 17.303 25.154 5.275
102 HE ARG 13 HE ARG 13 15.384 25.913 7.106
103 HH11 ARG 13 HH11 ARG 13 15.623 26.919 3.739
104 HH12 ARG 13 HH12 ARG 13 13.938 26.584 3.459
105 HH21 ARG 13 HH21 ARG 13 13.128 25.959 6.651
106 HH22 ARG 13 HH22 ARG 13 12.639 26.147 4.991
107 H SER 14 H SER 14 17.609 28.379 10.984
108 HA SER 14 HA SER 14 16.639 30.914 11.095
109 HB2 SER 14 HB2 SER 14 16.960 30.740 13.513
110 HB3 SER 14 HB3 SER 14 16.445 29.213 12.846
111 HG SER 14 HG SER 14 18.150 28.818 14.220
112 H LEU 15 H LEU 15 20.050 30.042 11.596
113 HA LEU 15 HA LEU 15 20.889 32.908 11.512
114 HB2 LEU 15 HB2 LEU 15 21.830 30.650 13.309
115 HB3 LEU 15 HB3 LEU 15 22.574 32.247 13.270
116 HG LEU 15 HG LEU 15 19.656 31.792 14.034
117 HD11 LEU 15 HD11 LEU 15 21.045 30.576 15.604
118 HD12 LEU 15 HD12 LEU 15 22.105 31.985 15.799
119 HD13 LEU 15 HD13 LEU 15 20.422 32.047 16.371
120 HD21 LEU 15 HD21 LEU 15 20.235 34.105 13.320
121 HD22 LEU 15 HD22 LEU 15 19.855 34.006 15.052
122 HD23 LEU 15 HD23 LEU 15 21.544 34.131 14.519
123 H GLY 16 H GLY 16 20.785 30.681 9.469
124 HA2 GLY 16 HA2 GLY 16 22.012 30.055 7.628
125 HA3 GLY 16 HA3 GLY 16 23.288 31.165 8.130
126 H LEU 17 H LEU 17 22.361 28.622 10.364
127 HA LEU 17 HA LEU 17 25.124 27.552 10.229
128 HB2 LEU 17 HB2 LEU 17 22.939 27.090 12.275
129 HB3 LEU 17 HB3 LEU 17 24.622 26.647 12.462
130 HG LEU 17 HG LEU 17 23.556 29.449 12.216
131 HD11 LEU 17 HD11 LEU 17 23.885 29.766 14.588
132 HD12 LEU 17 HD12 LEU 17 22.729 28.464 14.305
133 HD13 LEU 17 HD13 LEU 17 24.417 28.095 14.779
134 HD21 LEU 17 HD21 LEU 17 26.211 28.320 13.164
135 HD22 LEU 17 HD22 LEU 17 25.955 29.197 11.622
136 HD23 LEU 17 HD23 LEU 17 25.789 30.053 13.162
137 H LEU 18 H LEU 18 25.406 25.303 10.822
138 HA LEU 18 HA LEU 18 23.546 23.426 9.436
139 HB2 LEU 18 HB2 LEU 18 26.480 23.453 9.952
140 HB3 LEU 18 HB3 LEU 18 25.714 21.924 10.361
141 HG LEU 18 HG LEU 18 25.421 23.294 7.652
142 HD11 LEU 18 HD11 LEU 18 26.961 21.555 6.850
143 HD12 LEU 18 HD12 LEU 18 27.742 22.534 8.093
144 HD13 LEU 18 HD13 LEU 18 27.137 20.920 8.503
145 HD21 LEU 18 HD21 LEU 18 24.615 20.997 6.980
146 HD22 LEU 18 HD22 LEU 18 24.629 20.522 8.680
147 HD23 LEU 18 HD23 LEU 18 23.521 21.790 8.092
148 H GLY 19 H GLY 19 23.069 21.403 10.662
149 HA2 GLY 19 HA2 GLY 19 22.695 21.934 13.593
150 HA3 GLY 19 HA3 GLY 19 21.509 21.102 12.597
151 H LYS 20 H LYS 20 23.132 20.344 15.022
152 HA LYS 20 HA LYS 20 23.976 17.624 14.141
153 HB2 LYS 20 HB2 LYS 20 25.571 19.544 15.907
154 HB3 LYS 20 HB3 LYS 20 25.922 17.825 15.765
155 HG2 LYS 20 HG2 LYS 20 26.028 19.784 13.438
156 HG3 LYS 20 HG3 LYS 20 27.413 19.297 14.418
157 HD2 LYS 20 HD2 LYS 20 27.207 16.979 13.700
158 HD3 LYS 20 HD3 LYS 20 25.694 17.323 12.855
159 HE2 LYS 20 HE2 LYS 20 27.380 17.206 11.208
160 HE3 LYS 20 HE3 LYS 20 26.869 18.891 11.346
161 HZ1 LYS 20 HZ1 LYS 20 29.369 17.722 12.477
162 HZ2 LYS 20 HZ2 LYS 20 29.252 18.773 11.215
163 HZ3 LYS 20 HZ3 LYS 20 28.908 19.276 12.709
164 H CYS 21 H CYS 21 23.872 16.048 15.766
165 HA CYS 21 HA CYS 21 22.123 16.748 18.094
166 HB2 CYS 21 HB2 CYS 21 21.482 14.771 16.663
167 HB3 CYS 21 HB3 CYS 21 22.998 14.002 17.164
168 H ILE 22 H ILE 22 23.239 17.353 19.882
169 HA ILE 22 HA ILE 22 25.899 16.076 20.453
170 HB ILE 22 HB ILE 22 25.247 19.019 20.659
171 HG12 ILE 22 HG12 ILE 22 27.148 17.508 18.807
172 HG13 ILE 22 HG13 ILE 22 25.663 18.333 18.334
173 HG21 ILE 22 HG21 ILE 22 27.575 19.294 21.437
174 HG22 ILE 22 HG22 ILE 22 26.699 18.237 22.528
175 HG23 ILE 22 HG23 ILE 22 27.823 17.537 21.345
176 HD11 ILE 22 HD11 ILE 22 27.492 19.715 17.688
177 HD12 ILE 22 HD12 ILE 22 26.678 20.514 19.046
178 HD13 ILE 22 HD13 ILE 22 28.219 19.656 19.296
179 H GLY 23 H GLY 23 25.503 14.856 22.120
180 HA2 GLY 23 HA2 GLY 23 24.833 14.129 24.211
181 HA3 GLY 23 HA3 GLY 23 24.657 15.815 24.697
182 H GLU 24 H GLU 24 23.011 13.580 22.410
183 HA GLU 24 HA GLU 24 20.864 13.037 22.016
184 HB2 GLU 24 HB2 GLU 24 20.459 13.309 25.010
185 HB3 GLU 24 HB3 GLU 24 19.538 12.321 23.873
186 HG2 GLU 24 HG2 GLU 24 21.768 11.166 23.311
187 HG3 GLU 24 HG3 GLU 24 22.420 11.928 24.773
188 H GLU 25 H GLU 25 21.460 16.018 22.072
189 HA GLU 25 HA GLU 25 18.695 16.815 21.516
190 HB2 GLU 25 HB2 GLU 25 18.777 18.843 22.814
191 HB3 GLU 25 HB3 GLU 25 19.082 17.453 23.865
192 HG2 GLU 25 HG2 GLU 25 21.592 17.988 23.540
193 HG3 GLU 25 HG3 GLU 25 21.079 19.496 22.810
194 H CYS 26 H CYS 26 18.426 18.370 19.997
195 HA CYS 26 HA CYS 26 20.522 18.651 18.002
196 HB2 CYS 26 HB2 CYS 26 18.275 18.415 17.242
197 HB3 CYS 26 HB3 CYS 26 17.693 19.649 18.350
198 H LYS 27 H LYS 27 21.862 20.356 17.625
199 HA LYS 27 HA LYS 27 21.144 23.059 18.364
200 HB2 LYS 27 HB2 LYS 27 23.085 23.628 19.716
201 HB3 LYS 27 HB3 LYS 27 22.008 22.493 20.492
202 HG2 LYS 27 HG2 LYS 27 23.654 20.625 19.689
203 HG3 LYS 27 HG3 LYS 27 24.731 21.968 19.281
204 HD2 LYS 27 HD2 LYS 27 25.353 21.276 21.497
205 HD3 LYS 27 HD3 LYS 27 24.432 22.780 21.692
206 HE2 LYS 27 HE2 LYS 27 22.366 21.377 22.117
207 HE3 LYS 27 HE3 LYS 27 23.364 19.927 22.059
208 HZ1 LYS 27 HZ1 LYS 27 22.896 20.817 24.318
209 HZ2 LYS 27 HZ2 LYS 27 24.497 20.670 24.054
210 HZ3 LYS 27 HZ3 LYS 27 23.798 22.150 24.000
211 H CYS 28 H CYS 28 22.701 24.678 17.571
212 HA CYS 28 HA CYS 28 23.409 23.785 14.861
213 HB2 CYS 28 HB2 CYS 28 23.080 26.534 16.046
214 HB3 CYS 28 HB3 CYS 28 23.322 26.171 14.333
215 H VAL 29 H VAL 29 25.253 24.750 13.688
216 HA VAL 29 HA VAL 29 27.655 25.141 15.389
217 HB VAL 29 HB VAL 29 28.852 23.317 14.311
218 HG11 VAL 29 HG11 VAL 29 27.978 21.481 15.568
219 HG12 VAL 29 HG12 VAL 29 27.777 22.959 16.517
220 HG13 VAL 29 HG13 VAL 29 26.378 22.233 15.687
221 HG21 VAL 29 HG21 VAL 29 26.170 22.430 13.175
222 HG22 VAL 29 HG22 VAL 29 27.556 23.030 12.228
223 HG23 VAL 29 HG23 VAL 29 27.681 21.518 13.118
224 HA PRO 30 HA PRO 30 29.110 27.392 11.783
225 HB2 PRO 30 HB2 PRO 30 31.576 28.098 12.587
226 HB3 PRO 30 HB3 PRO 30 30.100 28.658 13.420
227 HG2 PRO 30 HG2 PRO 30 31.907 26.355 14.211
228 HG3 PRO 30 HG3 PRO 30 31.303 27.686 15.248
229 HD2 PRO 30 HD2 PRO 30 30.098 25.197 15.056
230 HD3 PRO 30 HD3 PRO 30 29.209 26.691 15.450
231 H HIS 31 H HIS 31 28.805 25.096 10.994
232 HA HIS 31 HA HIS 31 29.303 23.469 9.497
233 HB2 HIS 31 HB2 HIS 31 31.334 25.512 8.561
234 HB3 HIS 31 HB3 HIS 31 30.617 24.224 7.601
235 HD2 HIS 31 HD2 HIS 31 28.040 24.492 6.858
236 HE1 HIS 31 HE1 HIS 31 27.342 28.359 8.497
237 HE2 HIS 31 HE2 HIS 31 26.353 26.515 7.037
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 12.880 16.216 24.661
2 H2 ALA 1 H2 ALA 1 12.819 14.763 25.415
3 H3 ALA 1 H3 ALA 1 11.455 15.693 25.267
4 HA ALA 1 HA ALA 1 11.383 13.880 23.689
5 HB1 ALA 1 HB1 ALA 1 10.262 15.957 23.044
6 HB2 ALA 1 HB2 ALA 1 11.793 16.641 22.449
7 HB3 ALA 1 HB3 ALA 1 11.056 15.260 21.626
8 H PHE 2 H PHE 2 12.273 12.933 21.729
9 HA PHE 2 HA PHE 2 15.143 12.565 21.865
10 HB2 PHE 2 HB2 PHE 2 13.104 11.644 19.817
11 HB3 PHE 2 HB3 PHE 2 14.724 11.011 20.006
12 HD1 PHE 2 HD1 PHE 2 14.492 11.018 23.251
13 HD2 PHE 2 HD2 PHE 2 12.123 9.425 20.012
14 HE1 PHE 2 HE1 PHE 2 13.539 9.337 24.771
15 HE2 PHE 2 HE2 PHE 2 11.220 7.696 21.540
16 HZ PHE 2 HZ PHE 2 11.892 7.669 23.935
17 H CYS 3 H CYS 3 16.628 12.724 20.138
18 HA CYS 3 HA CYS 3 17.008 15.376 19.280
19 HB2 CYS 3 HB2 CYS 3 18.617 13.425 19.828
20 HB3 CYS 3 HB3 CYS 3 18.398 12.916 18.164
21 H ASN 4 H ASN 4 17.602 16.094 17.012
22 HA ASN 4 HA ASN 4 16.375 14.614 14.787
23 HB2 ASN 4 HB2 ASN 4 15.846 17.535 15.508
24 HB3 ASN 4 HB3 ASN 4 15.740 16.953 13.849
25 HD21 ASN 4 HD21 ASN 4 12.857 14.961 14.335
26 HD22 ASN 4 HD22 ASN 4 14.345 15.080 13.417
27 H LEU 5 H LEU 5 17.292 15.265 12.734
28 HA LEU 5 HA LEU 5 19.882 16.713 12.889
29 HB2 LEU 5 HB2 LEU 5 20.323 14.232 13.012
30 HB3 LEU 5 HB3 LEU 5 19.572 14.067 11.433
31 HG LEU 5 HG LEU 5 21.323 15.769 10.577
32 HD11 LEU 5 HD11 LEU 5 23.425 15.842 11.905
33 HD12 LEU 5 HD12 LEU 5 22.094 16.626 12.766
34 HD13 LEU 5 HD13 LEU 5 22.618 14.990 13.233
35 HD21 LEU 5 HD21 LEU 5 22.275 13.073 11.624
36 HD22 LEU 5 HD22 LEU 5 21.419 13.350 10.091
37 HD23 LEU 5 HD23 LEU 5 23.038 14.030 10.337
38 H ARG 6 H ARG 6 17.912 15.041 10.363
39 HA ARG 6 HA ARG 6 18.311 17.078 8.398
40 HB2 ARG 6 HB2 ARG 6 16.369 14.793 8.727
41 HB3 ARG 6 HB3 ARG 6 16.027 16.019 7.521
42 HG2 ARG 6 HG2 ARG 6 17.201 14.131 6.560
43 HG3 ARG 6 HG3 ARG 6 18.075 15.639 6.347
44 HD2 ARG 6 HD2 ARG 6 18.840 13.849 8.660
45 HD3 ARG 6 HD3 ARG 6 19.256 13.361 7.022
46 HE ARG 6 HE ARG 6 20.060 16.120 7.868
47 HH11 ARG 6 HH11 ARG 6 21.227 12.841 7.053
48 HH12 ARG 6 HH12 ARG 6 22.773 13.541 6.616
49 HH21 ARG 6 HH21 ARG 6 22.130 16.709 7.525
50 HH22 ARG 6 HH22 ARG 6 23.276 15.508 6.928
51 H ARG 7 H ARG 7 15.597 16.773 10.718
52 HA ARG 7 HA ARG 7 14.355 19.301 9.862
53 HB2 ARG 7 HB2 ARG 7 14.036 17.446 12.240
54 HB3 ARG 7 HB3 ARG 7 13.320 19.056 12.262
55 HG2 ARG 7 HG2 ARG 7 11.984 18.588 10.284
56 HG3 ARG 7 HG3 ARG 7 12.784 17.032 10.057
57 HD2 ARG 7 HD2 ARG 7 10.587 16.714 11.107
58 HD3 ARG 7 HD3 ARG 7 11.899 16.210 12.183
59 HE ARG 7 HE ARG 7 10.946 18.977 12.560
60 HH11 ARG 7 HH11 ARG 7 10.490 15.618 13.726
61 HH12 ARG 7 HH12 ARG 7 9.720 16.253 15.183
62 HH21 ARG 7 HH21 ARG 7 10.204 19.508 14.627
63 HH22 ARG 7 HH22 ARG 7 9.557 18.212 15.628
64 H CYS 8 H CYS 8 16.711 18.426 12.386
65 HA CYS 8 HA CYS 8 16.699 20.957 13.718
66 HB2 CYS 8 HB2 CYS 8 17.764 18.888 14.667
67 HB3 CYS 8 HB3 CYS 8 19.006 18.999 13.413
68 H GLU 9 H GLU 9 18.710 19.799 10.967
69 HA GLU 9 HA GLU 9 20.265 22.097 10.510
70 HB2 GLU 9 HB2 GLU 9 19.115 19.997 8.664
71 HB3 GLU 9 HB3 GLU 9 20.254 21.221 8.096
72 HG2 GLU 9 HG2 GLU 9 22.005 20.450 9.504
73 HG3 GLU 9 HG3 GLU 9 20.943 19.403 10.430
74 H LEU 10 H LEU 10 16.859 21.581 9.517
75 HA LEU 10 HA LEU 10 16.778 23.877 7.720
76 HB2 LEU 10 HB2 LEU 10 14.543 22.349 9.112
77 HB3 LEU 10 HB3 LEU 10 14.314 23.545 7.844
78 HG LEU 10 HG LEU 10 15.774 20.893 7.523
79 HD11 LEU 10 HD11 LEU 10 13.032 21.783 6.543
80 HD12 LEU 10 HD12 LEU 10 13.810 20.216 6.216
81 HD13 LEU 10 HD13 LEU 10 13.340 20.642 7.869
82 HD21 LEU 10 HD21 LEU 10 15.605 21.389 5.080
83 HD22 LEU 10 HD22 LEU 10 14.996 23.013 5.476
84 HD23 LEU 10 HD23 LEU 10 16.649 22.532 5.926
85 H SER 11 H SER 11 15.741 23.321 11.103
86 HA SER 11 HA SER 11 14.965 26.053 11.644
87 HB2 SER 11 HB2 SER 11 15.888 23.758 13.414
88 HB3 SER 11 HB3 SER 11 15.491 25.359 14.057
89 HG SER 11 HG SER 11 13.720 23.772 12.472
90 H CYS 12 H CYS 12 18.143 24.382 11.898
91 HA CYS 12 HA CYS 12 19.588 26.675 12.821
92 HB2 CYS 12 HB2 CYS 12 20.467 24.240 11.234
93 HB3 CYS 12 HB3 CYS 12 21.556 25.384 11.965
94 H ARG 13 H ARG 13 18.661 25.713 9.483
95 HA ARG 13 HA ARG 13 20.377 27.485 8.074
96 HB2 ARG 13 HB2 ARG 13 18.875 25.545 7.225
97 HB3 ARG 13 HB3 ARG 13 17.573 26.734 7.187
98 HG2 ARG 13 HG2 ARG 13 18.985 28.128 5.614
99 HG3 ARG 13 HG3 ARG 13 20.237 26.877 5.693
100 HD2 ARG 13 HD2 ARG 13 18.971 26.515 3.677
101 HD3 ARG 13 HD3 ARG 13 18.583 25.213 4.803
102 HE ARG 13 HE ARG 13 16.763 27.544 4.871
103 HH11 ARG 13 HH11 ARG 13 17.182 24.440 3.227
104 HH12 ARG 13 HH12 ARG 13 15.435 24.243 3.139
105 HH21 ARG 13 HH21 ARG 13 14.691 27.317 4.302
106 HH22 ARG 13 HH22 ARG 13 14.106 25.767 3.711
107 H SER 14 H SER 14 17.386 28.196 9.831
108 HA SER 14 HA SER 14 16.852 30.765 8.727
109 HB2 SER 14 HB2 SER 14 16.401 29.846 11.583
110 HB3 SER 14 HB3 SER 14 15.585 31.188 10.759
111 HG SER 14 HG SER 14 14.781 29.623 9.246
112 H LEU 15 H LEU 15 19.573 29.841 10.721
113 HA LEU 15 HA LEU 15 20.338 32.723 10.986
114 HB2 LEU 15 HB2 LEU 15 20.972 30.363 12.779
115 HB3 LEU 15 HB3 LEU 15 21.645 31.980 12.986
116 HG LEU 15 HG LEU 15 18.678 31.278 13.175
117 HD11 LEU 15 HD11 LEU 15 20.724 31.761 15.383
118 HD12 LEU 15 HD12 LEU 15 18.978 31.518 15.606
119 HD13 LEU 15 HD13 LEU 15 19.970 30.205 14.971
120 HD21 LEU 15 HD21 LEU 15 20.194 33.801 13.990
121 HD22 LEU 15 HD22 LEU 15 19.073 33.659 12.618
122 HD23 LEU 15 HD23 LEU 15 18.469 33.484 14.268
123 H GLY 16 H GLY 16 20.789 30.338 8.940
124 HA2 GLY 16 HA2 GLY 16 22.432 29.610 7.538
125 HA3 GLY 16 HA3 GLY 16 23.435 30.966 8.058
126 H LEU 17 H LEU 17 22.193 28.270 10.081
127 HA LEU 17 HA LEU 17 25.015 27.512 10.730
128 HB2 LEU 17 HB2 LEU 17 22.547 26.998 12.371
129 HB3 LEU 17 HB3 LEU 17 24.192 26.775 12.886
130 HG LEU 17 HG LEU 17 22.899 29.410 12.222
131 HD11 LEU 17 HD11 LEU 17 23.403 28.282 14.989
132 HD12 LEU 17 HD12 LEU 17 22.708 29.857 14.600
133 HD13 LEU 17 HD13 LEU 17 21.807 28.392 14.195
134 HD21 LEU 17 HD21 LEU 17 24.792 30.392 13.447
135 HD22 LEU 17 HD22 LEU 17 25.402 28.748 13.782
136 HD23 LEU 17 HD23 LEU 17 25.383 29.394 12.107
137 H LEU 18 H LEU 18 25.385 25.383 11.335
138 HA LEU 18 HA LEU 18 24.042 23.237 9.761
139 HB2 LEU 18 HB2 LEU 18 26.463 23.452 9.476
140 HB3 LEU 18 HB3 LEU 18 26.708 23.512 11.212
141 HG LEU 18 HG LEU 18 25.960 21.157 11.407
142 HD11 LEU 18 HD11 LEU 18 24.534 20.941 9.401
143 HD12 LEU 18 HD12 LEU 18 25.925 21.294 8.357
144 HD13 LEU 18 HD13 LEU 18 25.868 19.792 9.298
145 HD21 LEU 18 HD21 LEU 18 28.225 21.650 9.427
146 HD22 LEU 18 HD22 LEU 18 28.349 21.695 11.201
147 HD23 LEU 18 HD23 LEU 18 27.984 20.172 10.377
148 H GLY 19 H GLY 19 23.257 21.357 10.989
149 HA2 GLY 19 HA2 GLY 19 22.971 21.753 13.955
150 HA3 GLY 19 HA3 GLY 19 21.681 21.097 12.952
151 H LYS 20 H LYS 20 23.800 20.135 15.159
152 HA LYS 20 HA LYS 20 24.161 17.390 14.027
153 HB2 LYS 20 HB2 LYS 20 26.235 19.094 15.400
154 HB3 LYS 20 HB3 LYS 20 26.334 17.329 15.292
155 HG2 LYS 20 HG2 LYS 20 26.189 17.425 12.827
156 HG3 LYS 20 HG3 LYS 20 26.018 19.184 12.887
157 HD2 LYS 20 HD2 LYS 20 28.255 18.668 12.321
158 HD3 LYS 20 HD3 LYS 20 28.181 19.409 13.929
159 HE2 LYS 20 HE2 LYS 20 28.454 17.152 14.964
160 HE3 LYS 20 HE3 LYS 20 28.495 16.422 13.352
161 HZ1 LYS 20 HZ1 LYS 20 30.729 16.754 14.220
162 HZ2 LYS 20 HZ2 LYS 20 30.507 17.729 12.897
163 HZ3 LYS 20 HZ3 LYS 20 30.471 18.399 14.360
164 H CYS 21 H CYS 21 24.092 15.691 15.545
165 HA CYS 21 HA CYS 21 22.578 16.352 18.009
166 HB2 CYS 21 HB2 CYS 21 21.849 14.529 16.366
167 HB3 CYS 21 HB3 CYS 21 23.191 13.575 17.015
168 H ILE 22 H ILE 22 23.382 16.232 20.032
169 HA ILE 22 HA ILE 22 26.229 15.349 20.415
170 HB ILE 22 HB ILE 22 26.595 17.402 21.704
171 HG12 ILE 22 HG12 ILE 22 23.977 18.511 20.621
172 HG13 ILE 22 HG13 ILE 22 24.070 17.746 22.205
173 HG21 ILE 22 HG21 ILE 22 25.674 18.045 18.879
174 HG22 ILE 22 HG22 ILE 22 26.864 18.925 19.851
175 HG23 ILE 22 HG23 ILE 22 27.222 17.283 19.316
176 HD11 ILE 22 HD11 ILE 22 24.274 20.113 22.494
177 HD12 ILE 22 HD12 ILE 22 25.832 19.367 22.895
178 HD13 ILE 22 HD13 ILE 22 25.621 20.207 21.338
179 H GLY 23 H GLY 23 23.293 14.529 21.566
180 HA2 GLY 23 HA2 GLY 23 24.011 13.304 23.932
181 HA3 GLY 23 HA3 GLY 23 23.665 14.955 24.448
182 H GLU 24 H GLU 24 22.034 12.813 22.061
183 HA GLU 24 HA GLU 24 19.837 12.405 21.659
184 HB2 GLU 24 HB2 GLU 24 19.320 12.636 24.636
185 HB3 GLU 24 HB3 GLU 24 18.327 11.823 23.435
186 HG2 GLU 24 HG2 GLU 24 21.129 11.001 24.327
187 HG3 GLU 24 HG3 GLU 24 19.609 10.238 24.766
188 H GLU 25 H GLU 25 20.890 15.084 21.675
189 HA GLU 25 HA GLU 25 18.497 16.582 21.064
190 HB2 GLU 25 HB2 GLU 25 18.913 18.449 22.536
191 HB3 GLU 25 HB3 GLU 25 18.695 16.970 23.469
192 HG2 GLU 25 HG2 GLU 25 21.284 16.852 23.578
193 HG3 GLU 25 HG3 GLU 25 21.261 18.516 22.991
194 H CYS 26 H CYS 26 18.932 18.256 19.659
195 HA CYS 26 HA CYS 26 21.653 18.289 18.479
196 HB2 CYS 26 HB2 CYS 26 19.792 17.625 17.059
197 HB3 CYS 26 HB3 CYS 26 18.948 19.131 17.412
198 H LYS 27 H LYS 27 22.824 20.117 18.162
199 HA LYS 27 HA LYS 27 21.702 22.737 19.039
200 HB2 LYS 27 HB2 LYS 27 23.274 21.718 20.781
201 HB3 LYS 27 HB3 LYS 27 24.574 21.962 19.607
202 HG2 LYS 27 HG2 LYS 27 23.844 24.443 19.540
203 HG3 LYS 27 HG3 LYS 27 22.792 24.075 20.905
204 HD2 LYS 27 HD2 LYS 27 25.830 23.919 20.804
205 HD3 LYS 27 HD3 LYS 27 24.859 25.092 21.694
206 HE2 LYS 27 HE2 LYS 27 23.983 23.313 23.161
207 HE3 LYS 27 HE3 LYS 27 24.837 22.097 22.214
208 HZ1 LYS 27 HZ1 LYS 27 26.960 23.172 22.926
209 HZ2 LYS 27 HZ2 LYS 27 26.124 24.142 23.932
210 HZ3 LYS 27 HZ3 LYS 27 26.064 22.539 24.152
211 H CYS 28 H CYS 28 22.020 24.370 17.634
212 HA CYS 28 HA CYS 28 23.210 23.823 15.068
213 HB2 CYS 28 HB2 CYS 28 22.343 26.460 16.257
214 HB3 CYS 28 HB3 CYS 28 22.752 26.186 14.570
215 H VAL 29 H VAL 29 24.985 25.011 14.059
216 HA VAL 29 HA VAL 29 26.903 26.421 15.772
217 HB VAL 29 HB VAL 29 28.836 25.072 15.087
218 HG11 VAL 29 HG11 VAL 29 28.609 23.285 16.674
219 HG12 VAL 29 HG12 VAL 29 27.779 24.723 17.298
220 HG13 VAL 29 HG13 VAL 29 26.845 23.382 16.613
221 HG21 VAL 29 HG21 VAL 29 26.822 23.029 14.069
222 HG22 VAL 29 HG22 VAL 29 28.042 23.906 13.105
223 HG23 VAL 29 HG23 VAL 29 28.551 22.737 14.315
224 HA PRO 30 HA PRO 30 27.635 28.335 11.768
225 HB2 PRO 30 HB2 PRO 30 29.561 30.119 12.363
226 HB3 PRO 30 HB3 PRO 30 27.925 30.188 13.079
227 HG2 PRO 30 HG2 PRO 30 30.450 29.045 14.327
228 HG3 PRO 30 HG3 PRO 30 29.263 30.172 15.062
229 HD2 PRO 30 HD2 PRO 30 29.218 27.402 15.380
230 HD3 PRO 30 HD3 PRO 30 27.770 28.449 15.528
231 H HIS 31 H HIS 31 28.288 26.003 11.437
232 HA HIS 31 HA HIS 31 29.606 24.339 10.610
233 HB2 HIS 31 HB2 HIS 31 30.715 26.656 9.023
234 HB3 HIS 31 HB3 HIS 31 30.785 24.964 8.564
235 HD2 HIS 31 HD2 HIS 31 28.576 23.833 7.636
236 HE1 HIS 31 HE1 HIS 31 26.058 27.247 7.726
237 HE2 HIS 31 HE2 HIS 31 26.259 24.882 6.865
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 14.655 15.174 26.932
2 H2 ALA 1 H2 ALA 1 15.531 13.904 26.358
3 H3 ALA 1 H3 ALA 1 13.896 13.972 26.121
4 HA ALA 1 HA ALA 1 14.101 15.918 24.777
5 HB1 ALA 1 HB1 ALA 1 17.105 15.469 25.011
6 HB2 ALA 1 HB2 ALA 1 16.286 16.687 24.013
7 HB3 ALA 1 HB3 ALA 1 16.193 16.788 25.783
8 H PHE 2 H PHE 2 14.099 15.675 22.548
9 HA PHE 2 HA PHE 2 14.883 12.985 21.510
10 HB2 PHE 2 HB2 PHE 2 12.487 14.616 20.650
11 HB3 PHE 2 HB3 PHE 2 12.946 13.018 20.065
12 HD1 PHE 2 HD1 PHE 2 13.525 11.401 22.351
13 HD2 PHE 2 HD2 PHE 2 10.539 14.486 21.982
14 HE1 PHE 2 HE1 PHE 2 12.249 10.378 24.200
15 HE2 PHE 2 HE2 PHE 2 9.284 13.471 23.870
16 HZ PHE 2 HZ PHE 2 10.136 11.419 24.982
17 H CYS 3 H CYS 3 16.273 12.925 19.983
18 HA CYS 3 HA CYS 3 17.437 15.438 19.058
19 HB2 CYS 3 HB2 CYS 3 18.483 13.169 20.023
20 HB3 CYS 3 HB3 CYS 3 18.538 12.746 18.328
21 H ASN 4 H ASN 4 16.770 16.370 17.142
22 HA ASN 4 HA ASN 4 16.047 14.578 14.856
23 HB2 ASN 4 HB2 ASN 4 15.607 17.542 15.337
24 HB3 ASN 4 HB3 ASN 4 15.517 16.823 13.742
25 HD21 ASN 4 HD21 ASN 4 12.405 15.272 14.238
26 HD22 ASN 4 HD22 ASN 4 13.821 15.383 13.196
27 H LEU 5 H LEU 5 17.031 15.172 12.742
28 HA LEU 5 HA LEU 5 19.755 16.356 12.998
29 HB2 LEU 5 HB2 LEU 5 19.653 13.751 12.980
30 HB3 LEU 5 HB3 LEU 5 19.351 13.920 11.257
31 HG LEU 5 HG LEU 5 21.753 15.007 12.801
32 HD11 LEU 5 HD11 LEU 5 23.010 13.275 11.612
33 HD12 LEU 5 HD12 LEU 5 21.710 12.545 12.564
34 HD13 LEU 5 HD13 LEU 5 21.526 12.720 10.806
35 HD21 LEU 5 HD21 LEU 5 22.747 15.361 10.509
36 HD22 LEU 5 HD22 LEU 5 21.138 15.087 9.816
37 HD23 LEU 5 HD23 LEU 5 21.439 16.472 10.898
38 H ARG 6 H ARG 6 17.684 15.068 10.274
39 HA ARG 6 HA ARG 6 18.471 17.248 8.589
40 HB2 ARG 6 HB2 ARG 6 17.600 15.035 7.810
41 HB3 ARG 6 HB3 ARG 6 15.997 15.465 8.390
42 HG2 ARG 6 HG2 ARG 6 16.293 15.744 5.935
43 HG3 ARG 6 HG3 ARG 6 15.762 17.208 6.747
44 HD2 ARG 6 HD2 ARG 6 17.534 17.422 4.893
45 HD3 ARG 6 HD3 ARG 6 17.772 18.312 6.402
46 HE ARG 6 HE ARG 6 19.068 15.695 6.411
47 HH11 ARG 6 HH11 ARG 6 19.672 18.866 5.126
48 HH12 ARG 6 HH12 ARG 6 21.299 18.909 5.747
49 HH21 ARG 6 HH21 ARG 6 21.167 15.799 7.125
50 HH22 ARG 6 HH22 ARG 6 22.026 17.345 7.066
51 H ARG 7 H ARG 7 15.479 16.846 10.514
52 HA ARG 7 HA ARG 7 14.417 19.453 9.824
53 HB2 ARG 7 HB2 ARG 7 13.109 17.567 10.780
54 HB3 ARG 7 HB3 ARG 7 13.939 17.749 12.307
55 HG2 ARG 7 HG2 ARG 7 11.645 18.692 12.259
56 HG3 ARG 7 HG3 ARG 7 12.871 19.824 12.793
57 HD2 ARG 7 HD2 ARG 7 12.183 19.907 9.864
58 HD3 ARG 7 HD3 ARG 7 10.913 20.391 10.989
59 HE ARG 7 HE ARG 7 13.276 21.713 11.803
60 HH11 ARG 7 HH11 ARG 7 11.266 21.910 8.901
61 HH12 ARG 7 HH12 ARG 7 11.624 23.616 8.741
62 HH21 ARG 7 HH21 ARG 7 13.495 23.803 11.612
63 HH22 ARG 7 HH22 ARG 7 12.853 24.655 10.197
64 H CYS 8 H CYS 8 16.597 18.369 12.384
65 HA CYS 8 HA CYS 8 16.856 20.909 13.716
66 HB2 CYS 8 HB2 CYS 8 17.696 18.852 14.737
67 HB3 CYS 8 HB3 CYS 8 18.873 18.662 13.434
68 H GLU 9 H GLU 9 18.801 19.567 10.943
69 HA GLU 9 HA GLU 9 20.432 21.851 10.562
70 HB2 GLU 9 HB2 GLU 9 19.374 19.907 8.471
71 HB3 GLU 9 HB3 GLU 9 20.654 21.066 8.216
72 HG2 GLU 9 HG2 GLU 9 21.332 19.485 10.547
73 HG3 GLU 9 HG3 GLU 9 20.825 18.399 9.255
74 H LEU 10 H LEU 10 17.117 21.257 9.294
75 HA LEU 10 HA LEU 10 16.989 23.760 7.826
76 HB2 LEU 10 HB2 LEU 10 14.726 22.036 8.881
77 HB3 LEU 10 HB3 LEU 10 14.591 23.316 7.675
78 HG LEU 10 HG LEU 10 16.015 20.662 7.389
79 HD11 LEU 10 HD11 LEU 10 13.602 21.821 5.947
80 HD12 LEU 10 HD12 LEU 10 14.316 20.218 5.677
81 HD13 LEU 10 HD13 LEU 10 13.553 20.588 7.229
82 HD21 LEU 10 HD21 LEU 10 17.332 22.267 6.120
83 HD22 LEU 10 HD22 LEU 10 16.387 21.284 5.003
84 HD23 LEU 10 HD23 LEU 10 15.861 22.934 5.375
85 H SER 11 H SER 11 16.217 22.913 11.180
86 HA SER 11 HA SER 11 15.024 25.487 11.871
87 HB2 SER 11 HB2 SER 11 16.419 23.468 13.666
88 HB3 SER 11 HB3 SER 11 15.370 24.791 14.192
89 HG SER 11 HG SER 11 14.458 22.603 13.982
90 H CYS 12 H CYS 12 18.348 24.182 12.069
91 HA CYS 12 HA CYS 12 19.567 26.596 13.052
92 HB2 CYS 12 HB2 CYS 12 20.684 24.225 11.511
93 HB3 CYS 12 HB3 CYS 12 21.653 25.445 12.314
94 H ARG 13 H ARG 13 18.727 25.508 9.779
95 HA ARG 13 HA ARG 13 20.235 27.244 8.189
96 HB2 ARG 13 HB2 ARG 13 18.576 25.367 7.538
97 HB3 ARG 13 HB3 ARG 13 17.311 26.600 7.626
98 HG2 ARG 13 HG2 ARG 13 18.491 27.900 5.857
99 HG3 ARG 13 HG3 ARG 13 19.792 26.695 5.872
100 HD2 ARG 13 HD2 ARG 13 18.487 26.130 4.004
101 HD3 ARG 13 HD3 ARG 13 18.095 24.935 5.226
102 HE ARG 13 HE ARG 13 15.898 25.776 5.359
103 HH11 ARG 13 HH11 ARG 13 17.690 27.737 3.019
104 HH12 ARG 13 HH12 ARG 13 16.214 28.393 2.397
105 HH21 ARG 13 HH21 ARG 13 14.174 26.631 4.484
106 HH22 ARG 13 HH22 ARG 13 14.290 27.831 3.202
107 H SER 14 H SER 14 17.345 28.049 10.078
108 HA SER 14 HA SER 14 16.891 30.652 9.040
109 HB2 SER 14 HB2 SER 14 16.273 29.506 11.783
110 HB3 SER 14 HB3 SER 14 15.612 31.018 11.133
111 HG SER 14 HG SER 14 14.355 28.961 10.876
112 H LEU 15 H LEU 15 19.691 29.739 10.887
113 HA LEU 15 HA LEU 15 20.305 32.646 11.118
114 HB2 LEU 15 HB2 LEU 15 20.987 30.446 13.094
115 HB3 LEU 15 HB3 LEU 15 21.690 32.065 13.144
116 HG LEU 15 HG LEU 15 18.714 31.492 13.385
117 HD11 LEU 15 HD11 LEU 15 19.923 30.516 15.272
118 HD12 LEU 15 HD12 LEU 15 20.813 32.043 15.524
119 HD13 LEU 15 HD13 LEU 15 19.056 31.975 15.801
120 HD21 LEU 15 HD21 LEU 15 18.613 33.796 14.310
121 HD22 LEU 15 HD22 LEU 15 20.345 34.009 13.979
122 HD23 LEU 15 HD23 LEU 15 19.190 33.808 12.645
123 H GLY 16 H GLY 16 20.756 30.505 9.058
124 HA2 GLY 16 HA2 GLY 16 22.417 29.936 7.549
125 HA3 GLY 16 HA3 GLY 16 23.444 31.178 8.272
126 H LEU 17 H LEU 17 22.212 28.586 10.288
127 HA LEU 17 HA LEU 17 24.974 27.567 10.717
128 HB2 LEU 17 HB2 LEU 17 22.500 27.183 12.391
129 HB3 LEU 17 HB3 LEU 17 24.116 26.742 12.867
130 HG LEU 17 HG LEU 17 23.051 29.511 12.408
131 HD11 LEU 17 HD11 LEU 17 23.681 28.263 15.087
132 HD12 LEU 17 HD12 LEU 17 23.043 29.880 14.779
133 HD13 LEU 17 HD13 LEU 17 22.039 28.473 14.409
134 HD21 LEU 17 HD21 LEU 17 25.106 30.272 13.529
135 HD22 LEU 17 HD22 LEU 17 25.623 28.568 13.716
136 HD23 LEU 17 HD23 LEU 17 25.522 29.310 12.092
137 H LEU 18 H LEU 18 25.221 25.402 11.190
138 HA LEU 18 HA LEU 18 23.577 23.425 9.651
139 HB2 LEU 18 HB2 LEU 18 26.488 23.360 10.575
140 HB3 LEU 18 HB3 LEU 18 25.600 21.989 9.944
141 HG LEU 18 HG LEU 18 25.171 23.431 7.823
142 HD11 LEU 18 HD11 LEU 18 27.585 24.889 9.005
143 HD12 LEU 18 HD12 LEU 18 27.070 24.982 7.305
144 HD13 LEU 18 HD13 LEU 18 26.017 25.609 8.570
145 HD21 LEU 18 HD21 LEU 18 27.974 22.425 8.469
146 HD22 LEU 18 HD22 LEU 18 26.611 21.435 7.887
147 HD23 LEU 18 HD23 LEU 18 27.297 22.679 6.846
148 H GLY 19 H GLY 19 23.187 21.365 10.770
149 HA2 GLY 19 HA2 GLY 19 22.779 21.775 13.732
150 HA3 GLY 19 HA3 GLY 19 21.646 20.944 12.679
151 H LYS 20 H LYS 20 23.766 20.372 15.053
152 HA LYS 20 HA LYS 20 24.578 17.637 14.080
153 HB2 LYS 20 HB2 LYS 20 26.040 19.702 15.747
154 HB3 LYS 20 HB3 LYS 20 26.315 17.991 16.032
155 HG2 LYS 20 HG2 LYS 20 28.025 18.741 14.620
156 HG3 LYS 20 HG3 LYS 20 27.003 17.663 13.684
157 HD2 LYS 20 HD2 LYS 20 26.079 19.527 12.443
158 HD3 LYS 20 HD3 LYS 20 26.835 20.711 13.540
159 HE2 LYS 20 HE2 LYS 20 29.065 19.997 12.839
160 HE3 LYS 20 HE3 LYS 20 28.393 18.648 11.919
161 HZ1 LYS 20 HZ1 LYS 20 28.973 20.335 10.431
162 HZ2 LYS 20 HZ2 LYS 20 27.321 20.333 10.452
163 HZ3 LYS 20 HZ3 LYS 20 28.238 21.526 11.195
164 H CYS 21 H CYS 21 23.417 16.080 15.015
165 HA CYS 21 HA CYS 21 22.011 16.414 17.567
166 HB2 CYS 21 HB2 CYS 21 20.979 15.023 15.917
167 HB3 CYS 21 HB3 CYS 21 22.445 14.062 15.719
168 H ILE 22 H ILE 22 22.965 16.204 19.588
169 HA ILE 22 HA ILE 22 25.730 15.183 19.658
170 HB ILE 22 HB ILE 22 24.084 16.445 21.863
171 HG12 ILE 22 HG12 ILE 22 24.275 18.071 20.088
172 HG13 ILE 22 HG13 ILE 22 25.347 18.512 21.400
173 HG21 ILE 22 HG21 ILE 22 26.364 16.909 22.847
174 HG22 ILE 22 HG22 ILE 22 25.924 15.202 22.818
175 HG23 ILE 22 HG23 ILE 22 27.065 15.848 21.618
176 HD11 ILE 22 HD11 ILE 22 26.408 18.914 19.239
177 HD12 ILE 22 HD12 ILE 22 27.301 17.657 20.109
178 HD13 ILE 22 HD13 ILE 22 26.210 17.224 18.768
179 H GLY 23 H GLY 23 22.590 14.155 20.937
180 HA2 GLY 23 HA2 GLY 23 23.163 11.408 20.798
181 HA3 GLY 23 HA3 GLY 23 23.547 11.896 22.452
182 H GLU 24 H GLU 24 21.477 13.833 22.766
183 HA GLU 24 HA GLU 24 18.872 12.458 22.327
184 HB2 GLU 24 HB2 GLU 24 19.768 13.654 24.976
185 HB3 GLU 24 HB3 GLU 24 18.163 13.021 24.600
186 HG2 GLU 24 HG2 GLU 24 19.162 10.761 24.224
187 HG3 GLU 24 HG3 GLU 24 20.740 11.397 24.697
188 H GLU 25 H GLU 25 20.724 15.444 22.498
189 HA GLU 25 HA GLU 25 18.399 16.904 21.348
190 HB2 GLU 25 HB2 GLU 25 18.524 17.640 23.633
191 HB3 GLU 25 HB3 GLU 25 20.280 17.781 23.552
192 HG2 GLU 25 HG2 GLU 25 19.378 19.962 23.594
193 HG3 GLU 25 HG3 GLU 25 20.065 19.721 22.013
194 H CYS 26 H CYS 26 18.915 18.541 19.873
195 HA CYS 26 HA CYS 26 21.545 18.192 18.523
196 HB2 CYS 26 HB2 CYS 26 19.502 17.512 17.286
197 HB3 CYS 26 HB3 CYS 26 18.908 19.167 17.403
198 H LYS 27 H LYS 27 22.767 19.858 17.880
199 HA LYS 27 HA LYS 27 22.305 22.558 19.120
200 HB2 LYS 27 HB2 LYS 27 24.009 21.110 20.248
201 HB3 LYS 27 HB3 LYS 27 24.838 20.930 18.708
202 HG2 LYS 27 HG2 LYS 27 25.101 23.515 18.736
203 HG3 LYS 27 HG3 LYS 27 24.522 23.446 20.404
204 HD2 LYS 27 HD2 LYS 27 26.953 23.589 20.270
205 HD3 LYS 27 HD3 LYS 27 26.490 22.032 20.991
206 HE2 LYS 27 HE2 LYS 27 26.888 20.895 18.856
207 HE3 LYS 27 HE3 LYS 27 27.152 22.430 18.041
208 HZ1 LYS 27 HZ1 LYS 27 29.170 21.224 18.584
209 HZ2 LYS 27 HZ2 LYS 27 29.211 22.705 19.252
210 HZ3 LYS 27 HZ3 LYS 27 28.894 21.388 20.200
211 H CYS 28 H CYS 28 22.778 24.370 17.861
212 HA CYS 28 HA CYS 28 23.397 23.906 15.002
213 HB2 CYS 28 HB2 CYS 28 22.598 26.457 16.403
214 HB3 CYS 28 HB3 CYS 28 22.841 26.239 14.676
215 H VAL 29 H VAL 29 25.077 25.005 13.910
216 HA VAL 29 HA VAL 29 27.145 26.486 15.403
217 HB VAL 29 HB VAL 29 28.962 25.028 14.474
218 HG11 VAL 29 HG11 VAL 29 27.209 23.579 16.459
219 HG12 VAL 29 HG12 VAL 29 28.955 23.377 16.226
220 HG13 VAL 29 HG13 VAL 29 28.322 24.908 16.862
221 HG21 VAL 29 HG21 VAL 29 26.762 22.957 14.094
222 HG22 VAL 29 HG22 VAL 29 27.642 23.767 12.785
223 HG23 VAL 29 HG23 VAL 29 28.509 22.703 13.891
224 HA PRO 30 HA PRO 30 27.641 28.150 11.214
225 HB2 PRO 30 HB2 PRO 30 30.081 29.347 11.340
226 HB3 PRO 30 HB3 PRO 30 28.662 29.988 12.221
227 HG2 PRO 30 HG2 PRO 30 30.900 28.249 13.298
228 HG3 PRO 30 HG3 PRO 30 30.204 29.730 14.023
229 HD2 PRO 30 HD2 PRO 30 29.458 27.185 14.756
230 HD3 PRO 30 HD3 PRO 30 28.326 28.557 14.823
231 H HIS 31 H HIS 31 29.699 25.846 12.683
232 HA HIS 31 HA HIS 31 31.509 25.266 10.518
233 HB2 HIS 31 HB2 HIS 31 30.895 23.458 12.863
234 HB3 HIS 31 HB3 HIS 31 32.380 23.552 11.930
235 HD2 HIS 31 HD2 HIS 31 31.406 24.222 15.216
236 HE1 HIS 31 HE1 HIS 31 33.917 27.567 14.446
237 HE2 HIS 31 HE2 HIS 31 32.882 26.113 16.268
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 11.922 12.520 25.626
2 H2 ALA 1 H2 ALA 1 13.491 13.054 25.777
3 H3 ALA 1 H3 ALA 1 13.168 11.513 25.276
4 HA ALA 1 HA ALA 1 12.067 12.329 23.319
5 HB1 ALA 1 HB1 ALA 1 11.527 14.599 24.206
6 HB2 ALA 1 HB2 ALA 1 13.256 15.018 24.130
7 HB3 ALA 1 HB3 ALA 1 12.367 14.664 22.647
8 H PHE 2 H PHE 2 13.241 12.515 21.353
9 HA PHE 2 HA PHE 2 16.125 11.773 21.660
10 HB2 PHE 2 HB2 PHE 2 14.125 10.863 19.578
11 HB3 PHE 2 HB3 PHE 2 15.803 10.361 19.689
12 HD1 PHE 2 HD1 PHE 2 16.565 9.134 21.849
13 HD2 PHE 2 HD2 PHE 2 12.440 9.625 20.697
14 HE1 PHE 2 HE1 PHE 2 15.933 7.201 23.279
15 HE2 PHE 2 HE2 PHE 2 11.815 7.698 22.116
16 HZ PHE 2 HZ PHE 2 13.553 6.490 23.422
17 H CYS 3 H CYS 3 17.552 12.234 19.959
18 HA CYS 3 HA CYS 3 17.539 14.986 19.205
19 HB2 CYS 3 HB2 CYS 3 19.454 13.444 19.831
20 HB3 CYS 3 HB3 CYS 3 19.311 12.714 18.237
21 H ASN 4 H ASN 4 17.034 16.028 17.264
22 HA ASN 4 HA ASN 4 16.220 14.419 14.890
23 HB2 ASN 4 HB2 ASN 4 15.868 17.331 15.740
24 HB3 ASN 4 HB3 ASN 4 15.628 16.810 14.081
25 HD21 ASN 4 HD21 ASN 4 12.550 15.148 14.723
26 HD22 ASN 4 HD22 ASN 4 13.981 15.079 13.684
27 H LEU 5 H LEU 5 17.185 15.024 12.800
28 HA LEU 5 HA LEU 5 19.618 16.691 12.924
29 HB2 LEU 5 HB2 LEU 5 20.161 14.202 13.209
30 HB3 LEU 5 HB3 LEU 5 19.713 14.002 11.527
31 HG LEU 5 HG LEU 5 22.093 14.146 11.854
32 HD11 LEU 5 HD11 LEU 5 21.204 16.661 10.421
33 HD12 LEU 5 HD12 LEU 5 22.743 15.812 10.234
34 HD13 LEU 5 HD13 LEU 5 21.251 15.015 9.731
35 HD21 LEU 5 HD21 LEU 5 21.789 17.022 12.808
36 HD22 LEU 5 HD22 LEU 5 22.084 15.628 13.875
37 HD23 LEU 5 HD23 LEU 5 23.280 16.081 12.648
38 H ARG 6 H ARG 6 17.820 14.714 10.493
39 HA ARG 6 HA ARG 6 18.118 16.672 8.386
40 HB2 ARG 6 HB2 ARG 6 16.461 14.184 8.810
41 HB3 ARG 6 HB3 ARG 6 15.970 15.285 7.545
42 HG2 ARG 6 HG2 ARG 6 17.371 13.558 6.606
43 HG3 ARG 6 HG3 ARG 6 18.106 15.147 6.436
44 HD2 ARG 6 HD2 ARG 6 19.821 13.592 6.913
45 HD3 ARG 6 HD3 ARG 6 19.646 14.650 8.311
46 HE ARG 6 HE ARG 6 18.150 12.611 9.174
47 HH11 ARG 6 HH11 ARG 6 21.362 12.414 7.685
48 HH12 ARG 6 HH12 ARG 6 21.644 10.863 8.450
49 HH21 ARG 6 HH21 ARG 6 18.598 10.537 9.876
50 HH22 ARG 6 HH22 ARG 6 20.274 10.011 9.798
51 H ARG 7 H ARG 7 15.750 16.536 10.965
52 HA ARG 7 HA ARG 7 14.206 18.812 9.858
53 HB2 ARG 7 HB2 ARG 7 13.160 16.881 11.094
54 HB3 ARG 7 HB3 ARG 7 14.036 17.366 12.536
55 HG2 ARG 7 HG2 ARG 7 11.716 18.045 12.622
56 HG3 ARG 7 HG3 ARG 7 12.767 19.451 12.678
57 HD2 ARG 7 HD2 ARG 7 11.847 18.638 9.940
58 HD3 ARG 7 HD3 ARG 7 10.566 19.143 11.049
59 HE ARG 7 HE ARG 7 12.581 21.083 11.287
60 HH11 ARG 7 HH11 ARG 7 10.411 20.098 8.644
61 HH12 ARG 7 HH12 ARG 7 10.015 21.798 8.357
62 HH21 ARG 7 HH21 ARG 7 12.023 23.057 10.749
63 HH22 ARG 7 HH22 ARG 7 10.956 23.360 9.356
64 H CYS 8 H CYS 8 16.551 18.158 12.435
65 HA CYS 8 HA CYS 8 16.485 20.689 13.744
66 HB2 CYS 8 HB2 CYS 8 17.541 18.715 14.780
67 HB3 CYS 8 HB3 CYS 8 18.706 18.635 13.451
68 H GLU 9 H GLU 9 18.531 19.595 10.999
69 HA GLU 9 HA GLU 9 20.156 21.857 10.627
70 HB2 GLU 9 HB2 GLU 9 18.906 19.909 8.646
71 HB3 GLU 9 HB3 GLU 9 20.109 21.101 8.186
72 HG2 GLU 9 HG2 GLU 9 21.136 19.605 10.451
73 HG3 GLU 9 HG3 GLU 9 20.532 18.491 9.222
74 H LEU 10 H LEU 10 16.735 21.502 9.703
75 HA LEU 10 HA LEU 10 16.793 23.624 7.717
76 HB2 LEU 10 HB2 LEU 10 14.448 22.338 9.177
77 HB3 LEU 10 HB3 LEU 10 14.331 23.367 7.756
78 HG LEU 10 HG LEU 10 15.718 20.650 7.871
79 HD11 LEU 10 HD11 LEU 10 13.306 20.426 8.028
80 HD12 LEU 10 HD12 LEU 10 13.065 21.533 6.656
81 HD13 LEU 10 HD13 LEU 10 13.820 19.948 6.410
82 HD21 LEU 10 HD21 LEU 10 15.800 20.834 5.397
83 HD22 LEU 10 HD22 LEU 10 15.152 22.483 5.503
84 HD23 LEU 10 HD23 LEU 10 16.766 22.103 6.153
85 H SER 11 H SER 11 15.839 23.507 11.148
86 HA SER 11 HA SER 11 15.172 26.355 11.230
87 HB2 SER 11 HB2 SER 11 14.129 24.738 12.703
88 HB3 SER 11 HB3 SER 11 15.673 24.372 13.475
89 HG SER 11 HG SER 11 15.603 26.269 14.498
90 H CYS 12 H CYS 12 18.151 24.445 11.861
91 HA CYS 12 HA CYS 12 19.696 26.629 12.849
92 HB2 CYS 12 HB2 CYS 12 20.534 24.201 11.209
93 HB3 CYS 12 HB3 CYS 12 21.644 25.297 11.994
94 H ARG 13 H ARG 13 19.001 25.691 9.462
95 HA ARG 13 HA ARG 13 20.722 27.573 8.191
96 HB2 ARG 13 HB2 ARG 13 19.716 25.802 6.976
97 HB3 ARG 13 HB3 ARG 13 18.080 26.340 7.343
98 HG2 ARG 13 HG2 ARG 13 18.271 28.253 5.882
99 HG3 ARG 13 HG3 ARG 13 20.031 28.056 5.769
100 HD2 ARG 13 HD2 ARG 13 19.086 27.262 3.716
101 HD3 ARG 13 HD3 ARG 13 19.724 25.894 4.645
102 HE ARG 13 HE ARG 13 16.833 26.405 4.965
103 HH11 ARG 13 HH11 ARG 13 19.306 24.570 3.250
104 HH12 ARG 13 HH12 ARG 13 18.174 23.287 2.841
105 HH21 ARG 13 HH21 ARG 13 15.419 24.831 4.133
106 HH22 ARG 13 HH22 ARG 13 16.082 23.388 3.406
107 H SER 14 H SER 14 17.577 28.161 9.736
108 HA SER 14 HA SER 14 17.158 30.781 8.637
109 HB2 SER 14 HB2 SER 14 16.163 29.623 11.262
110 HB3 SER 14 HB3 SER 14 15.535 31.058 10.442
111 HG SER 14 HG SER 14 14.366 29.074 10.040
112 H LEU 15 H LEU 15 19.467 29.735 11.013
113 HA LEU 15 HA LEU 15 20.120 32.584 11.634
114 HB2 LEU 15 HB2 LEU 15 20.669 30.055 13.216
115 HB3 LEU 15 HB3 LEU 15 21.249 31.662 13.657
116 HG LEU 15 HG LEU 15 18.318 30.834 13.499
117 HD11 LEU 15 HD11 LEU 15 19.542 29.718 15.336
118 HD12 LEU 15 HD12 LEU 15 20.125 31.297 15.916
119 HD13 LEU 15 HD13 LEU 15 18.391 30.903 15.952
120 HD21 LEU 15 HD21 LEU 15 17.918 32.946 14.747
121 HD22 LEU 15 HD22 LEU 15 19.630 33.379 14.554
122 HD23 LEU 15 HD23 LEU 15 18.565 33.250 13.130
123 H GLY 16 H GLY 16 20.905 30.362 9.461
124 HA2 GLY 16 HA2 GLY 16 22.680 30.177 8.021
125 HA3 GLY 16 HA3 GLY 16 23.521 31.444 8.917
126 H LEU 17 H LEU 17 22.423 28.286 10.186
127 HA LEU 17 HA LEU 17 25.253 27.589 10.877
128 HB2 LEU 17 HB2 LEU 17 22.781 26.862 12.434
129 HB3 LEU 17 HB3 LEU 17 24.426 26.793 12.992
130 HG LEU 17 HG LEU 17 22.871 29.314 12.405
131 HD11 LEU 17 HD11 LEU 17 23.471 28.190 15.144
132 HD12 LEU 17 HD12 LEU 17 22.686 29.726 14.778
133 HD13 LEU 17 HD13 LEU 17 21.869 28.227 14.344
134 HD21 LEU 17 HD21 LEU 17 24.665 30.440 13.644
135 HD22 LEU 17 HD22 LEU 17 25.420 28.850 13.962
136 HD23 LEU 17 HD23 LEU 17 25.366 29.521 12.300
137 H LEU 18 H LEU 18 25.626 25.345 11.338
138 HA LEU 18 HA LEU 18 24.139 23.376 9.619
139 HB2 LEU 18 HB2 LEU 18 26.747 23.228 11.190
140 HB3 LEU 18 HB3 LEU 18 25.955 21.790 10.556
141 HG LEU 18 HG LEU 18 26.845 24.095 8.820
142 HD11 LEU 18 HD11 LEU 18 28.779 23.037 9.908
143 HD12 LEU 18 HD12 LEU 18 28.204 21.428 9.401
144 HD13 LEU 18 HD13 LEU 18 28.734 22.610 8.193
145 HD21 LEU 18 HD21 LEU 18 26.669 22.459 6.976
146 HD22 LEU 18 HD22 LEU 18 26.014 21.257 8.106
147 HD23 LEU 18 HD23 LEU 18 25.108 22.742 7.743
148 H GLY 19 H GLY 19 23.283 21.478 10.615
149 HA2 GLY 19 HA2 GLY 19 22.620 21.735 13.541
150 HA3 GLY 19 HA3 GLY 19 21.660 20.836 12.371
151 H LYS 20 H LYS 20 23.593 20.366 14.890
152 HA LYS 20 HA LYS 20 24.647 17.715 13.973
153 HB2 LYS 20 HB2 LYS 20 26.186 19.947 15.336
154 HB3 LYS 20 HB3 LYS 20 26.722 18.258 15.315
155 HG2 LYS 20 HG2 LYS 20 26.773 18.240 12.874
156 HG3 LYS 20 HG3 LYS 20 26.155 19.905 12.795
157 HD2 LYS 20 HD2 LYS 20 28.090 20.771 13.878
158 HD3 LYS 20 HD3 LYS 20 28.744 19.132 14.166
159 HE2 LYS 20 HE2 LYS 20 28.720 18.750 11.700
160 HE3 LYS 20 HE3 LYS 20 28.204 20.418 11.434
161 HZ1 LYS 20 HZ1 LYS 20 30.733 19.665 12.791
162 HZ2 LYS 20 HZ2 LYS 20 30.619 20.053 11.196
163 HZ3 LYS 20 HZ3 LYS 20 30.300 21.178 12.337
164 H CYS 21 H CYS 21 24.442 16.103 15.433
165 HA CYS 21 HA CYS 21 22.726 16.621 17.720
166 HB2 CYS 21 HB2 CYS 21 22.530 14.660 16.163
167 HB3 CYS 21 HB3 CYS 21 23.991 14.005 16.910
168 H ILE 22 H ILE 22 23.101 16.194 19.897
169 HA ILE 22 HA ILE 22 25.915 16.134 20.906
170 HB ILE 22 HB ILE 22 23.304 16.649 22.382
171 HG12 ILE 22 HG12 ILE 22 25.414 18.658 21.453
172 HG13 ILE 22 HG13 ILE 22 23.793 18.484 20.778
173 HG21 ILE 22 HG21 ILE 22 26.182 17.051 23.290
174 HG22 ILE 22 HG22 ILE 22 24.718 17.327 24.258
175 HG23 ILE 22 HG23 ILE 22 25.142 15.698 23.788
176 HD11 ILE 22 HD11 ILE 22 22.830 19.039 23.039
177 HD12 ILE 22 HD12 ILE 22 24.479 19.460 23.568
178 HD13 ILE 22 HD13 ILE 22 23.719 20.352 22.253
179 H GLY 23 H GLY 23 22.791 14.506 21.144
180 HA2 GLY 23 HA2 GLY 23 23.595 11.859 21.049
181 HA3 GLY 23 HA3 GLY 23 23.630 12.265 22.775
182 H GLU 24 H GLU 24 21.605 13.718 23.363
183 HA GLU 24 HA GLU 24 19.112 12.688 22.058
184 HB2 GLU 24 HB2 GLU 24 18.024 12.352 24.137
185 HB3 GLU 24 HB3 GLU 24 19.541 11.458 24.093
186 HG2 GLU 24 HG2 GLU 24 20.518 13.536 25.375
187 HG3 GLU 24 HG3 GLU 24 18.834 13.913 25.725
188 H GLU 25 H GLU 25 20.837 15.280 22.216
189 HA GLU 25 HA GLU 25 18.554 17.060 21.671
190 HB2 GLU 25 HB2 GLU 25 20.852 17.600 23.576
191 HB3 GLU 25 HB3 GLU 25 20.218 18.917 22.602
192 HG2 GLU 25 HG2 GLU 25 18.639 17.227 24.545
193 HG3 GLU 25 HG3 GLU 25 19.153 18.900 24.797
194 H CYS 26 H CYS 26 18.975 18.601 20.073
195 HA CYS 26 HA CYS 26 21.470 18.149 18.487
196 HB2 CYS 26 HB2 CYS 26 19.354 17.567 17.320
197 HB3 CYS 26 HB3 CYS 26 18.816 19.234 17.527
198 H LYS 27 H LYS 27 22.647 19.916 17.765
199 HA LYS 27 HA LYS 27 22.033 22.594 18.930
200 HB2 LYS 27 HB2 LYS 27 23.623 21.628 20.405
201 HB3 LYS 27 HB3 LYS 27 24.618 21.008 19.086
202 HG2 LYS 27 HG2 LYS 27 25.313 23.229 18.449
203 HG3 LYS 27 HG3 LYS 27 24.196 23.987 19.581
204 HD2 LYS 27 HD2 LYS 27 26.583 22.231 20.312
205 HD3 LYS 27 HD3 LYS 27 26.575 23.992 20.323
206 HE2 LYS 27 HE2 LYS 27 24.926 22.180 22.145
207 HE3 LYS 27 HE3 LYS 27 26.361 23.107 22.589
208 HZ1 LYS 27 HZ1 LYS 27 25.022 25.137 21.906
209 HZ2 LYS 27 HZ2 LYS 27 23.702 24.160 21.863
210 HZ3 LYS 27 HZ3 LYS 27 24.514 24.377 23.267
211 H CYS 28 H CYS 28 22.413 24.307 17.664
212 HA CYS 28 HA CYS 28 23.326 23.844 14.907
213 HB2 CYS 28 HB2 CYS 28 22.344 26.360 16.248
214 HB3 CYS 28 HB3 CYS 28 22.726 26.172 14.541
215 H VAL 29 H VAL 29 25.163 24.915 13.972
216 HA VAL 29 HA VAL 29 26.955 26.379 15.819
217 HB VAL 29 HB VAL 29 28.942 25.157 15.253
218 HG11 VAL 29 HG11 VAL 29 26.871 23.257 16.408
219 HG12 VAL 29 HG12 VAL 29 28.628 23.230 16.656
220 HG13 VAL 29 HG13 VAL 29 27.672 24.571 17.303
221 HG21 VAL 29 HG21 VAL 29 28.365 24.149 13.087
222 HG22 VAL 29 HG22 VAL 29 28.887 22.926 14.238
223 HG23 VAL 29 HG23 VAL 29 27.151 23.115 13.876
224 HA PRO 30 HA PRO 30 27.743 28.673 12.093
225 HB2 PRO 30 HB2 PRO 30 29.380 30.602 13.009
226 HB3 PRO 30 HB3 PRO 30 27.721 30.372 13.628
227 HG2 PRO 30 HG2 PRO 30 30.293 29.343 14.871
228 HG3 PRO 30 HG3 PRO 30 28.991 30.295 15.657
229 HD2 PRO 30 HD2 PRO 30 29.161 27.532 15.727
230 HD3 PRO 30 HD3 PRO 30 27.615 28.426 15.814
231 H HIS 31 H HIS 31 28.746 26.428 11.699
232 HA HIS 31 HA HIS 31 30.199 25.155 10.505
233 HB2 HIS 31 HB2 HIS 31 31.048 27.849 9.426
234 HB3 HIS 31 HB3 HIS 31 31.197 26.293 8.613
235 HD2 HIS 31 HD2 HIS 31 28.732 29.082 9.364
236 HE1 HIS 31 HE1 HIS 31 26.430 26.041 7.479
237 HE2 HIS 31 HE2 HIS 31 26.382 28.433 8.362
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 16.736 20.618 22.823
2 H2 ALA 1 H2 ALA 1 15.238 20.049 23.213
3 H3 ALA 1 H3 ALA 1 15.417 21.612 22.739
4 HA ALA 1 HA ALA 1 14.464 20.416 20.973
5 HB1 ALA 1 HB1 ALA 1 16.124 20.859 19.193
6 HB2 ALA 1 HB2 ALA 1 15.992 22.213 20.326
7 HB3 ALA 1 HB3 ALA 1 17.381 21.107 20.426
8 H PHE 2 H PHE 2 14.012 18.430 20.252
9 HA PHE 2 HA PHE 2 15.216 16.052 21.005
10 HB2 PHE 2 HB2 PHE 2 13.775 16.648 18.390
11 HB3 PHE 2 HB3 PHE 2 14.028 15.051 19.073
12 HD1 PHE 2 HD1 PHE 2 11.862 17.953 19.045
13 HD2 PHE 2 HD2 PHE 2 12.964 14.448 21.307
14 HE1 PHE 2 HE1 PHE 2 9.697 18.044 20.249
15 HE2 PHE 2 HE2 PHE 2 10.789 14.545 22.496
16 HZ PHE 2 HZ PHE 2 9.144 16.325 21.954
17 H CYS 3 H CYS 3 16.340 14.389 19.781
18 HA CYS 3 HA CYS 3 18.793 15.346 18.570
19 HB2 CYS 3 HB2 CYS 3 18.544 13.440 20.177
20 HB3 CYS 3 HB3 CYS 3 17.760 12.530 18.897
21 H ASN 4 H ASN 4 16.922 16.315 16.879
22 HA ASN 4 HA ASN 4 16.657 14.667 14.465
23 HB2 ASN 4 HB2 ASN 4 16.289 17.640 15.069
24 HB3 ASN 4 HB3 ASN 4 16.103 16.941 13.459
25 HD21 ASN 4 HD21 ASN 4 12.983 15.327 14.419
26 HD22 ASN 4 HD22 ASN 4 14.489 14.864 13.599
27 H LEU 5 H LEU 5 17.803 15.190 12.527
28 HA LEU 5 HA LEU 5 20.350 16.718 12.803
29 HB2 LEU 5 HB2 LEU 5 20.869 14.363 12.965
30 HB3 LEU 5 HB3 LEU 5 20.006 13.996 11.490
31 HG LEU 5 HG LEU 5 22.497 14.030 11.350
32 HD11 LEU 5 HD11 LEU 5 22.685 14.869 9.207
33 HD12 LEU 5 HD12 LEU 5 20.979 14.405 9.329
34 HD13 LEU 5 HD13 LEU 5 21.462 16.116 9.443
35 HD21 LEU 5 HD21 LEU 5 22.864 16.045 12.790
36 HD22 LEU 5 HD22 LEU 5 23.756 16.058 11.252
37 HD23 LEU 5 HD23 LEU 5 22.290 17.039 11.433
38 H ARG 6 H ARG 6 18.704 15.073 10.049
39 HA ARG 6 HA ARG 6 19.170 17.337 8.353
40 HB2 ARG 6 HB2 ARG 6 17.788 16.204 6.698
41 HB3 ARG 6 HB3 ARG 6 19.015 15.150 7.402
42 HG2 ARG 6 HG2 ARG 6 17.331 14.044 8.811
43 HG3 ARG 6 HG3 ARG 6 16.063 15.103 8.184
44 HD2 ARG 6 HD2 ARG 6 17.756 13.220 6.496
45 HD3 ARG 6 HD3 ARG 6 16.145 12.837 7.116
46 HE ARG 6 HE ARG 6 15.700 15.200 5.809
47 HH11 ARG 6 HH11 ARG 6 16.988 12.114 4.671
48 HH12 ARG 6 HH12 ARG 6 16.665 12.570 2.995
49 HH21 ARG 6 HH21 ARG 6 15.313 15.607 3.741
50 HH22 ARG 6 HH22 ARG 6 15.658 14.429 2.499
51 H ARG 7 H ARG 7 16.303 16.527 10.325
52 HA ARG 7 HA ARG 7 14.807 18.864 9.365
53 HB2 ARG 7 HB2 ARG 7 14.367 17.056 11.775
54 HB3 ARG 7 HB3 ARG 7 13.283 18.347 11.268
55 HG2 ARG 7 HG2 ARG 7 12.959 17.225 9.078
56 HG3 ARG 7 HG3 ARG 7 14.034 15.924 9.561
57 HD2 ARG 7 HD2 ARG 7 11.818 15.138 9.806
58 HD3 ARG 7 HD3 ARG 7 12.479 15.355 11.436
59 HE ARG 7 HE ARG 7 11.114 17.742 10.742
60 HH11 ARG 7 HH11 ARG 7 10.113 14.379 11.039
61 HH12 ARG 7 HH12 ARG 7 8.496 14.843 11.541
62 HH21 ARG 7 HH21 ARG 7 9.146 18.185 11.726
63 HH22 ARG 7 HH22 ARG 7 7.926 16.944 11.799
64 H CYS 8 H CYS 8 17.045 18.258 12.047
65 HA CYS 8 HA CYS 8 16.562 20.706 13.485
66 HB2 CYS 8 HB2 CYS 8 17.842 18.788 14.431
67 HB3 CYS 8 HB3 CYS 8 19.117 19.063 13.247
68 H GLU 9 H GLU 9 18.878 19.919 10.846
69 HA GLU 9 HA GLU 9 20.140 22.402 10.529
70 HB2 GLU 9 HB2 GLU 9 19.301 20.277 8.561
71 HB3 GLU 9 HB3 GLU 9 20.262 21.681 8.064
72 HG2 GLU 9 HG2 GLU 9 22.086 21.053 9.486
73 HG3 GLU 9 HG3 GLU 9 21.151 19.783 10.266
74 H LEU 10 H LEU 10 16.840 21.548 9.468
75 HA LEU 10 HA LEU 10 16.457 23.869 7.785
76 HB2 LEU 10 HB2 LEU 10 14.335 22.213 9.191
77 HB3 LEU 10 HB3 LEU 10 14.105 23.259 7.801
78 HG LEU 10 HG LEU 10 15.729 20.690 7.834
79 HD11 LEU 10 HD11 LEU 10 13.919 19.781 6.452
80 HD12 LEU 10 HD12 LEU 10 13.320 20.302 8.036
81 HD13 LEU 10 HD13 LEU 10 13.023 21.308 6.608
82 HD21 LEU 10 HD21 LEU 10 15.776 20.931 5.368
83 HD22 LEU 10 HD22 LEU 10 15.013 22.530 5.517
84 HD23 LEU 10 HD23 LEU 10 16.642 22.244 6.173
85 H SER 11 H SER 11 16.041 23.323 11.261
86 HA SER 11 HA SER 11 14.812 25.952 11.758
87 HB2 SER 11 HB2 SER 11 16.156 23.948 13.621
88 HB3 SER 11 HB3 SER 11 15.362 25.442 14.142
89 HG SER 11 HG SER 11 13.467 24.598 13.817
90 H CYS 12 H CYS 12 18.081 24.504 11.960
91 HA CYS 12 HA CYS 12 19.449 26.823 12.886
92 HB2 CYS 12 HB2 CYS 12 20.411 24.441 11.269
93 HB3 CYS 12 HB3 CYS 12 21.447 25.572 12.105
94 H ARG 13 H ARG 13 18.452 25.951 9.634
95 HA ARG 13 HA ARG 13 19.877 27.644 7.963
96 HB2 ARG 13 HB2 ARG 13 17.986 25.958 7.459
97 HB3 ARG 13 HB3 ARG 13 16.867 27.230 7.917
98 HG2 ARG 13 HG2 ARG 13 16.837 27.428 5.646
99 HG3 ARG 13 HG3 ARG 13 18.057 28.633 6.030
100 HD2 ARG 13 HD2 ARG 13 18.510 25.771 5.070
101 HD3 ARG 13 HD3 ARG 13 18.648 27.212 4.075
102 HE ARG 13 HE ARG 13 20.604 26.106 5.905
103 HH11 ARG 13 HH11 ARG 13 19.682 29.176 4.451
104 HH12 ARG 13 HH12 ARG 13 21.306 29.818 4.586
105 HH21 ARG 13 HH21 ARG 13 22.640 26.817 5.662
106 HH22 ARG 13 HH22 ARG 13 22.970 28.462 5.200
107 H SER 14 H SER 14 17.487 28.619 10.341
108 HA SER 14 HA SER 14 16.799 31.233 9.591
109 HB2 SER 14 HB2 SER 14 15.867 29.981 11.502
110 HB3 SER 14 HB3 SER 14 17.415 30.100 12.349
111 HG SER 14 HG SER 14 15.396 31.981 12.016
112 H LEU 15 H LEU 15 19.902 30.153 11.031
113 HA LEU 15 HA LEU 15 20.969 32.942 10.804
114 HB2 LEU 15 HB2 LEU 15 21.506 30.830 12.908
115 HB3 LEU 15 HB3 LEU 15 22.374 32.364 12.798
116 HG LEU 15 HG LEU 15 19.358 32.174 13.188
117 HD11 LEU 15 HD11 LEU 15 21.532 32.537 15.278
118 HD12 LEU 15 HD12 LEU 15 19.780 32.652 15.560
119 HD13 LEU 15 HD13 LEU 15 20.501 31.106 15.078
120 HD21 LEU 15 HD21 LEU 15 20.154 34.359 12.310
121 HD22 LEU 15 HD22 LEU 15 19.586 34.504 13.979
122 HD23 LEU 15 HD23 LEU 15 21.323 34.463 13.634
123 H GLY 16 H GLY 16 21.000 30.598 8.906
124 HA2 GLY 16 HA2 GLY 16 22.451 29.774 7.318
125 HA3 GLY 16 HA3 GLY 16 23.656 30.941 7.872
126 H LEU 17 H LEU 17 22.313 28.506 10.052
127 HA LEU 17 HA LEU 17 25.024 27.311 10.393
128 HB2 LEU 17 HB2 LEU 17 22.605 27.099 12.173
129 HB3 LEU 17 HB3 LEU 17 24.226 26.640 12.605
130 HG LEU 17 HG LEU 17 23.244 29.444 12.101
131 HD11 LEU 17 HD11 LEU 17 23.198 29.822 14.484
132 HD12 LEU 17 HD12 LEU 17 22.118 28.485 14.083
133 HD13 LEU 17 HD13 LEU 17 23.723 28.166 14.804
134 HD21 LEU 17 HD21 LEU 17 25.688 29.164 11.873
135 HD22 LEU 17 HD22 LEU 17 25.323 30.077 13.347
136 HD23 LEU 17 HD23 LEU 17 25.720 28.340 13.464
137 H LEU 18 H LEU 18 25.126 25.116 10.949
138 HA LEU 18 HA LEU 18 23.103 23.273 9.722
139 HB2 LEU 18 HB2 LEU 18 26.022 22.835 10.462
140 HB3 LEU 18 HB3 LEU 18 24.922 21.517 10.089
141 HG LEU 18 HG LEU 18 25.648 23.735 8.145
142 HD11 LEU 18 HD11 LEU 18 26.547 20.825 8.293
143 HD12 LEU 18 HD12 LEU 18 26.966 21.985 7.016
144 HD13 LEU 18 HD13 LEU 18 27.551 22.243 8.665
145 HD21 LEU 18 HD21 LEU 18 24.635 22.227 6.449
146 HD22 LEU 18 HD22 LEU 18 24.099 21.136 7.741
147 HD23 LEU 18 HD23 LEU 18 23.438 22.790 7.610
148 H GLY 19 H GLY 19 23.103 21.165 11.214
149 HA2 GLY 19 HA2 GLY 19 22.866 21.926 14.077
150 HA3 GLY 19 HA3 GLY 19 21.476 21.209 13.254
151 H LYS 20 H LYS 20 23.529 20.299 15.415
152 HA LYS 20 HA LYS 20 24.043 17.566 14.287
153 HB2 LYS 20 HB2 LYS 20 26.045 19.258 15.817
154 HB3 LYS 20 HB3 LYS 20 26.280 17.601 15.241
155 HG2 LYS 20 HG2 LYS 20 26.017 18.402 12.877
156 HG3 LYS 20 HG3 LYS 20 25.847 20.068 13.478
157 HD2 LYS 20 HD2 LYS 20 28.066 19.849 14.570
158 HD3 LYS 20 HD3 LYS 20 28.268 18.290 13.733
159 HE2 LYS 20 HE2 LYS 20 27.982 19.448 11.541
160 HE3 LYS 20 HE3 LYS 20 27.771 20.992 12.379
161 HZ1 LYS 20 HZ1 LYS 20 30.022 20.763 11.592
162 HZ2 LYS 20 HZ2 LYS 20 30.055 20.728 13.254
163 HZ3 LYS 20 HZ3 LYS 20 30.238 19.350 12.417
164 H CYS 21 H CYS 21 23.716 15.887 15.727
165 HA CYS 21 HA CYS 21 22.517 16.638 18.315
166 HB2 CYS 21 HB2 CYS 21 21.362 15.001 16.914
167 HB3 CYS 21 HB3 CYS 21 22.743 13.903 17.076
168 H ILE 22 H ILE 22 23.279 16.143 20.314
169 HA ILE 22 HA ILE 22 25.741 14.558 20.674
170 HB ILE 22 HB ILE 22 25.460 17.309 21.957
171 HG12 ILE 22 HG12 ILE 22 27.404 16.537 19.727
172 HG13 ILE 22 HG13 ILE 22 25.991 17.573 19.541
173 HG21 ILE 22 HG21 ILE 22 27.728 16.866 22.818
174 HG22 ILE 22 HG22 ILE 22 26.653 15.579 23.310
175 HG23 ILE 22 HG23 ILE 22 27.778 15.310 21.964
176 HD11 ILE 22 HD11 ILE 22 28.454 18.227 21.160
177 HD12 ILE 22 HD12 ILE 22 27.847 19.019 19.700
178 HD13 ILE 22 HD13 ILE 22 26.943 19.171 21.223
179 H GLY 23 H GLY 23 25.091 13.013 22.119
180 HA2 GLY 23 HA2 GLY 23 24.139 12.058 23.990
181 HA3 GLY 23 HA3 GLY 23 24.241 13.652 24.736
182 H GLU 24 H GLU 24 22.233 12.506 21.987
183 HA GLU 24 HA GLU 24 20.024 12.420 21.615
184 HB2 GLU 24 HB2 GLU 24 19.475 12.351 24.581
185 HB3 GLU 24 HB3 GLU 24 18.458 11.764 23.276
186 HG2 GLU 24 HG2 GLU 24 21.117 10.573 24.171
187 HG3 GLU 24 HG3 GLU 24 19.516 9.915 24.456
188 H GLU 25 H GLU 25 21.245 15.136 21.881
189 HA GLU 25 HA GLU 25 18.656 16.444 21.443
190 HB2 GLU 25 HB2 GLU 25 18.995 18.352 22.801
191 HB3 GLU 25 HB3 GLU 25 19.171 16.943 23.843
192 HG2 GLU 25 HG2 GLU 25 21.656 17.200 23.655
193 HG3 GLU 25 HG3 GLU 25 21.418 18.642 22.660
194 H CYS 26 H CYS 26 18.755 18.191 19.955
195 HA CYS 26 HA CYS 26 21.290 18.332 18.422
196 HB2 CYS 26 HB2 CYS 26 19.117 17.908 17.250
197 HB3 CYS 26 HB3 CYS 26 18.655 19.566 17.655
198 H LYS 27 H LYS 27 22.314 20.236 17.830
199 HA LYS 27 HA LYS 27 21.504 22.838 18.956
200 HB2 LYS 27 HB2 LYS 27 22.926 21.782 20.680
201 HB3 LYS 27 HB3 LYS 27 24.228 21.565 19.501
202 HG2 LYS 27 HG2 LYS 27 24.498 23.980 19.275
203 HG3 LYS 27 HG3 LYS 27 23.087 24.283 20.285
204 HD2 LYS 27 HD2 LYS 27 25.688 22.969 21.198
205 HD3 LYS 27 HD3 LYS 27 25.189 24.639 21.494
206 HE2 LYS 27 HE2 LYS 27 23.091 23.647 22.635
207 HE3 LYS 27 HE3 LYS 27 23.935 22.093 22.599
208 HZ1 LYS 27 HZ1 LYS 27 24.938 24.561 23.906
209 HZ2 LYS 27 HZ2 LYS 27 24.296 23.251 24.687
210 HZ3 LYS 27 HZ3 LYS 27 25.733 23.144 23.878
211 H CYS 28 H CYS 28 22.187 24.586 17.674
212 HA CYS 28 HA CYS 28 23.135 23.856 15.015
213 HB2 CYS 28 HB2 CYS 28 22.433 26.567 16.119
214 HB3 CYS 28 HB3 CYS 28 22.737 26.188 14.430
215 H VAL 29 H VAL 29 24.855 24.853 13.865
216 HA VAL 29 HA VAL 29 27.009 26.225 15.293
217 HB VAL 29 HB VAL 29 28.644 24.415 14.302
218 HG11 VAL 29 HG11 VAL 29 28.580 25.141 16.641
219 HG12 VAL 29 HG12 VAL 29 27.301 23.951 16.973
220 HG13 VAL 29 HG13 VAL 29 28.910 23.412 16.471
221 HG21 VAL 29 HG21 VAL 29 27.958 22.141 14.537
222 HG22 VAL 29 HG22 VAL 29 26.362 22.587 15.169
223 HG23 VAL 29 HG23 VAL 29 26.761 22.905 13.472
224 HA PRO 30 HA PRO 30 27.301 27.881 11.275
225 HB2 PRO 30 HB2 PRO 30 29.502 29.459 11.437
226 HB3 PRO 30 HB3 PRO 30 28.091 29.715 12.509
227 HG2 PRO 30 HG2 PRO 30 30.652 28.214 13.139
228 HG3 PRO 30 HG3 PRO 30 29.838 29.473 14.120
229 HD2 PRO 30 HD2 PRO 30 29.491 26.777 14.546
230 HD3 PRO 30 HD3 PRO 30 28.200 27.960 14.855
231 H HIS 31 H HIS 31 29.890 25.854 12.242
232 HA HIS 31 HA HIS 31 31.804 26.119 10.246
233 HB2 HIS 31 HB2 HIS 31 31.116 23.467 11.556
234 HB3 HIS 31 HB3 HIS 31 32.682 24.018 10.996
235 HD2 HIS 31 HD2 HIS 31 30.837 23.519 14.068
236 HE1 HIS 31 HE1 HIS 31 33.491 26.687 15.077
237 HE2 HIS 31 HE2 HIS 31 31.899 24.954 16.015
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 15.444 19.694 23.653
2 H2 ALA 1 H2 ALA 1 14.082 18.815 23.933
3 H3 ALA 1 H3 ALA 1 13.966 20.435 23.752
4 HA ALA 1 HA ALA 1 13.214 19.326 21.792
5 HB1 ALA 1 HB1 ALA 1 14.569 20.512 20.158
6 HB2 ALA 1 HB2 ALA 1 14.400 21.533 21.604
7 HB3 ALA 1 HB3 ALA 1 15.906 20.650 21.322
8 H PHE 2 H PHE 2 13.646 17.863 20.025
9 HA PHE 2 HA PHE 2 14.917 15.500 21.025
10 HB2 PHE 2 HB2 PHE 2 14.033 15.770 18.167
11 HB3 PHE 2 HB3 PHE 2 13.950 14.373 19.223
12 HD1 PHE 2 HD1 PHE 2 12.484 15.453 21.612
13 HD2 PHE 2 HD2 PHE 2 11.882 16.113 17.388
14 HE1 PHE 2 HE1 PHE 2 10.111 16.018 22.026
15 HE2 PHE 2 HE2 PHE 2 9.503 16.646 17.813
16 HZ PHE 2 HZ PHE 2 8.609 16.609 20.132
17 H CYS 3 H CYS 3 16.336 14.050 19.805
18 HA CYS 3 HA CYS 3 18.718 15.262 18.642
19 HB2 CYS 3 HB2 CYS 3 18.768 13.273 20.112
20 HB3 CYS 3 HB3 CYS 3 17.814 12.381 18.922
21 H ASN 4 H ASN 4 17.061 16.384 17.033
22 HA ASN 4 HA ASN 4 16.459 14.823 14.602
23 HB2 ASN 4 HB2 ASN 4 16.422 17.819 15.211
24 HB3 ASN 4 HB3 ASN 4 15.941 17.085 13.697
25 HD21 ASN 4 HD21 ASN 4 12.823 15.881 14.988
26 HD22 ASN 4 HD22 ASN 4 14.157 15.273 14.020
27 H LEU 5 H LEU 5 17.608 15.223 12.593
28 HA LEU 5 HA LEU 5 20.196 16.639 12.845
29 HB2 LEU 5 HB2 LEU 5 20.585 14.226 13.028
30 HB3 LEU 5 HB3 LEU 5 19.892 13.965 11.443
31 HG LEU 5 HG LEU 5 22.401 13.976 11.642
32 HD11 LEU 5 HD11 LEU 5 21.428 16.082 9.679
33 HD12 LEU 5 HD12 LEU 5 22.849 15.038 9.565
34 HD13 LEU 5 HD13 LEU 5 21.236 14.323 9.463
35 HD21 LEU 5 HD21 LEU 5 23.645 16.026 11.773
36 HD22 LEU 5 HD22 LEU 5 22.177 17.012 11.786
37 HD23 LEU 5 HD23 LEU 5 22.563 15.968 13.175
38 H ARG 6 H ARG 6 18.382 15.144 10.029
39 HA ARG 6 HA ARG 6 18.879 17.474 8.391
40 HB2 ARG 6 HB2 ARG 6 16.861 15.217 8.235
41 HB3 ARG 6 HB3 ARG 6 16.878 16.550 7.070
42 HG2 ARG 6 HG2 ARG 6 19.207 16.032 6.451
43 HG3 ARG 6 HG3 ARG 6 19.260 14.734 7.644
44 HD2 ARG 6 HD2 ARG 6 18.851 13.792 5.434
45 HD3 ARG 6 HD3 ARG 6 17.425 13.558 6.473
46 HE ARG 6 HE ARG 6 17.021 15.969 5.065
47 HH11 ARG 6 HH11 ARG 6 17.164 12.560 4.222
48 HH12 ARG 6 HH12 ARG 6 16.188 12.856 2.773
49 HH21 ARG 6 HH21 ARG 6 15.777 16.184 3.360
50 HH22 ARG 6 HH22 ARG 6 15.397 14.807 2.334
51 H ARG 7 H ARG 7 16.071 16.635 10.469
52 HA ARG 7 HA ARG 7 14.577 19.043 9.777
53 HB2 ARG 7 HB2 ARG 7 14.393 17.140 12.152
54 HB3 ARG 7 HB3 ARG 7 13.329 18.517 11.910
55 HG2 ARG 7 HG2 ARG 7 12.586 17.556 9.731
56 HG3 ARG 7 HG3 ARG 7 13.609 16.133 10.045
57 HD2 ARG 7 HD2 ARG 7 12.338 15.717 12.148
58 HD3 ARG 7 HD3 ARG 7 11.310 17.106 11.812
59 HE ARG 7 HE ARG 7 11.461 14.567 10.199
60 HH11 ARG 7 HH11 ARG 7 9.514 17.412 11.021
61 HH12 ARG 7 HH12 ARG 7 8.079 16.708 10.354
62 HH21 ARG 7 HH21 ARG 7 9.514 13.713 9.476
63 HH22 ARG 7 HH22 ARG 7 8.066 14.680 9.587
64 H CYS 8 H CYS 8 17.015 18.320 12.239
65 HA CYS 8 HA CYS 8 16.961 20.884 13.556
66 HB2 CYS 8 HB2 CYS 8 18.034 18.898 14.581
67 HB3 CYS 8 HB3 CYS 8 19.229 18.879 13.289
68 H GLU 9 H GLU 9 18.910 19.693 10.743
69 HA GLU 9 HA GLU 9 20.385 22.068 10.305
70 HB2 GLU 9 HB2 GLU 9 19.452 19.865 8.437
71 HB3 GLU 9 HB3 GLU 9 20.443 21.210 7.878
72 HG2 GLU 9 HG2 GLU 9 22.225 20.677 9.377
73 HG3 GLU 9 HG3 GLU 9 21.295 19.426 10.185
74 H LEU 10 H LEU 10 17.007 21.399 9.404
75 HA LEU 10 HA LEU 10 16.700 23.868 7.868
76 HB2 LEU 10 HB2 LEU 10 14.608 22.161 9.266
77 HB3 LEU 10 HB3 LEU 10 14.289 23.448 8.117
78 HG LEU 10 HG LEU 10 15.725 20.839 7.495
79 HD11 LEU 10 HD11 LEU 10 13.677 20.359 6.207
80 HD12 LEU 10 HD12 LEU 10 13.334 20.541 7.933
81 HD13 LEU 10 HD13 LEU 10 12.942 21.860 6.806
82 HD21 LEU 10 HD21 LEU 10 16.538 22.623 6.010
83 HD22 LEU 10 HD22 LEU 10 15.460 21.544 5.122
84 HD23 LEU 10 HD23 LEU 10 14.860 23.125 5.670
85 H SER 11 H SER 11 16.036 22.965 11.289
86 HA SER 11 HA SER 11 15.030 25.518 12.114
87 HB2 SER 11 HB2 SER 11 16.643 23.582 13.817
88 HB3 SER 11 HB3 SER 11 15.464 24.785 14.370
89 HG SER 11 HG SER 11 13.857 23.584 13.188
90 H CYS 12 H CYS 12 18.355 24.236 12.001
91 HA CYS 12 HA CYS 12 19.675 26.578 13.005
92 HB2 CYS 12 HB2 CYS 12 20.611 24.255 11.284
93 HB3 CYS 12 HB3 CYS 12 21.678 25.406 12.049
94 H ARG 13 H ARG 13 18.681 25.663 9.695
95 HA ARG 13 HA ARG 13 20.180 27.534 8.215
96 HB2 ARG 13 HB2 ARG 13 18.612 25.653 7.412
97 HB3 ARG 13 HB3 ARG 13 17.291 26.794 7.661
98 HG2 ARG 13 HG2 ARG 13 18.480 28.356 6.012
99 HG3 ARG 13 HG3 ARG 13 19.655 27.058 5.747
100 HD2 ARG 13 HD2 ARG 13 17.973 26.963 3.996
101 HD3 ARG 13 HD3 ARG 13 17.755 25.554 5.050
102 HE ARG 13 HE ARG 13 16.162 27.885 5.844
103 HH11 ARG 13 HH11 ARG 13 15.971 25.048 3.734
104 HH12 ARG 13 HH12 ARG 13 14.215 25.122 3.782
105 HH21 ARG 13 HH21 ARG 13 14.137 27.881 5.848
106 HH22 ARG 13 HH22 ARG 13 13.178 26.824 4.820
107 H SER 14 H SER 14 17.370 28.149 10.270
108 HA SER 14 HA SER 14 16.664 30.733 9.373
109 HB2 SER 14 HB2 SER 14 16.533 29.558 12.177
110 HB3 SER 14 HB3 SER 14 15.669 31.006 11.620
111 HG SER 14 HG SER 14 14.652 29.743 10.053
112 H LEU 15 H LEU 15 19.564 29.866 11.199
113 HA LEU 15 HA LEU 15 20.214 32.793 11.275
114 HB2 LEU 15 HB2 LEU 15 21.094 30.524 13.086
115 HB3 LEU 15 HB3 LEU 15 21.837 32.120 13.109
116 HG LEU 15 HG LEU 15 18.891 31.590 13.652
117 HD11 LEU 15 HD11 LEU 15 21.187 32.153 15.598
118 HD12 LEU 15 HD12 LEU 15 19.468 31.973 16.023
119 HD13 LEU 15 HD13 LEU 15 20.363 30.592 15.386
120 HD21 LEU 15 HD21 LEU 15 18.992 33.883 14.664
121 HD22 LEU 15 HD22 LEU 15 20.623 34.082 13.995
122 HD23 LEU 15 HD23 LEU 15 19.211 33.876 12.913
123 H GLY 16 H GLY 16 20.620 30.440 9.233
124 HA2 GLY 16 HA2 GLY 16 22.167 30.102 7.520
125 HA3 GLY 16 HA3 GLY 16 23.243 31.302 8.241
126 H LEU 17 H LEU 17 22.121 28.690 10.247
127 HA LEU 17 HA LEU 17 24.866 27.571 10.468
128 HB2 LEU 17 HB2 LEU 17 22.407 27.197 12.208
129 HB3 LEU 17 HB3 LEU 17 24.030 26.667 12.610
130 HG LEU 17 HG LEU 17 22.990 29.471 12.333
131 HD11 LEU 17 HD11 LEU 17 23.757 28.114 14.918
132 HD12 LEU 17 HD12 LEU 17 23.049 29.715 14.703
133 HD13 LEU 17 HD13 LEU 17 22.077 28.294 14.322
134 HD21 LEU 17 HD21 LEU 17 25.362 29.455 11.892
135 HD22 LEU 17 HD22 LEU 17 25.120 30.109 13.517
136 HD23 LEU 17 HD23 LEU 17 25.644 28.422 13.339
137 H LEU 18 H LEU 18 24.814 25.221 11.103
138 HA LEU 18 HA LEU 18 22.737 23.532 9.817
139 HB2 LEU 18 HB2 LEU 18 25.747 23.134 9.638
140 HB3 LEU 18 HB3 LEU 18 24.594 21.831 9.359
141 HG LEU 18 HG LEU 18 24.699 24.398 7.732
142 HD11 LEU 18 HD11 LEU 18 25.639 22.956 5.962
143 HD12 LEU 18 HD12 LEU 18 26.692 22.976 7.385
144 HD13 LEU 18 HD13 LEU 18 25.646 21.574 7.078
145 HD21 LEU 18 HD21 LEU 18 22.438 23.395 7.682
146 HD22 LEU 18 HD22 LEU 18 23.254 23.142 6.140
147 HD23 LEU 18 HD23 LEU 18 23.142 21.805 7.295
148 H GLY 19 H GLY 19 22.952 21.228 10.851
149 HA2 GLY 19 HA2 GLY 19 23.055 21.691 13.822
150 HA3 GLY 19 HA3 GLY 19 21.823 20.750 13.000
151 H LYS 20 H LYS 20 23.769 20.103 15.177
152 HA LYS 20 HA LYS 20 24.455 17.382 14.151
153 HB2 LYS 20 HB2 LYS 20 26.240 19.152 15.881
154 HB3 LYS 20 HB3 LYS 20 26.511 17.439 15.610
155 HG2 LYS 20 HG2 LYS 20 26.571 19.544 13.398
156 HG3 LYS 20 HG3 LYS 20 27.974 18.970 14.291
157 HD2 LYS 20 HD2 LYS 20 27.524 16.644 13.506
158 HD3 LYS 20 HD3 LYS 20 26.193 17.264 12.507
159 HE2 LYS 20 HE2 LYS 20 27.757 18.673 11.235
160 HE3 LYS 20 HE3 LYS 20 29.086 18.228 12.314
161 HZ1 LYS 20 HZ1 LYS 20 27.641 16.328 10.561
162 HZ2 LYS 20 HZ2 LYS 20 29.155 16.914 10.267
163 HZ3 LYS 20 HZ3 LYS 20 28.872 15.938 11.556
164 H CYS 21 H CYS 21 23.746 15.768 15.560
165 HA CYS 21 HA CYS 21 22.346 16.613 18.005
166 HB2 CYS 21 HB2 CYS 21 21.330 14.897 16.684
167 HB3 CYS 21 HB3 CYS 21 22.777 13.877 16.807
168 H ILE 22 H ILE 22 22.978 16.333 20.104
169 HA ILE 22 HA ILE 22 25.842 15.680 20.614
170 HB ILE 22 HB ILE 22 23.712 16.858 22.427
171 HG12 ILE 22 HG12 ILE 22 24.123 18.450 20.663
172 HG13 ILE 22 HG13 ILE 22 24.855 19.010 22.149
173 HG21 ILE 22 HG21 ILE 22 25.684 17.551 23.832
174 HG22 ILE 22 HG22 ILE 22 25.401 15.816 23.795
175 HG23 ILE 22 HG23 ILE 22 26.714 16.515 22.825
176 HD11 ILE 22 HD11 ILE 22 27.104 18.295 21.319
177 HD12 ILE 22 HD12 ILE 22 26.347 17.761 19.797
178 HD13 ILE 22 HD13 ILE 22 26.320 19.469 20.251
179 H GLY 23 H GLY 23 22.628 14.403 21.234
180 HA2 GLY 23 HA2 GLY 23 23.247 11.754 21.287
181 HA3 GLY 23 HA3 GLY 23 23.482 12.214 22.977
182 H GLU 24 H GLU 24 21.427 14.052 23.351
183 HA GLU 24 HA GLU 24 18.889 12.560 22.739
184 HB2 GLU 24 HB2 GLU 24 19.535 14.131 25.253
185 HB3 GLU 24 HB3 GLU 24 18.040 13.270 24.918
186 HG2 GLU 24 HG2 GLU 24 20.780 11.989 25.331
187 HG3 GLU 24 HG3 GLU 24 19.495 12.102 26.521
188 H GLU 25 H GLU 25 20.581 15.498 22.396
189 HA GLU 25 HA GLU 25 18.211 16.908 21.318
190 HB2 GLU 25 HB2 GLU 25 18.407 17.458 23.698
191 HB3 GLU 25 HB3 GLU 25 20.096 17.932 23.485
192 HG2 GLU 25 HG2 GLU 25 19.505 19.884 22.283
193 HG3 GLU 25 HG3 GLU 25 17.889 19.303 21.923
194 H CYS 26 H CYS 26 18.793 18.691 19.860
195 HA CYS 26 HA CYS 26 21.450 18.310 18.587
196 HB2 CYS 26 HB2 CYS 26 19.333 18.018 17.253
197 HB3 CYS 26 HB3 CYS 26 19.027 19.739 17.501
198 H LYS 27 H LYS 27 22.767 20.015 17.963
199 HA LYS 27 HA LYS 27 22.142 22.754 18.949
200 HB2 LYS 27 HB2 LYS 27 24.737 21.231 19.429
201 HB3 LYS 27 HB3 LYS 27 24.674 23.004 19.388
202 HG2 LYS 27 HG2 LYS 27 22.976 23.025 21.137
203 HG3 LYS 27 HG3 LYS 27 23.033 21.243 21.229
204 HD2 LYS 27 HD2 LYS 27 25.542 21.518 21.761
205 HD3 LYS 27 HD3 LYS 27 25.194 23.230 22.034
206 HE2 LYS 27 HE2 LYS 27 23.885 20.859 23.455
207 HE3 LYS 27 HE3 LYS 27 25.174 21.863 24.126
208 HZ1 LYS 27 HZ1 LYS 27 23.011 22.545 24.940
209 HZ2 LYS 27 HZ2 LYS 27 23.687 23.754 24.073
210 HZ3 LYS 27 HZ3 LYS 27 22.459 22.829 23.419
211 H CYS 28 H CYS 28 22.681 24.365 17.623
212 HA CYS 28 HA CYS 28 23.429 23.667 14.899
213 HB2 CYS 28 HB2 CYS 28 22.767 26.274 16.248
214 HB3 CYS 28 HB3 CYS 28 23.031 26.076 14.503
215 H VAL 29 H VAL 29 25.021 24.831 13.674
216 HA VAL 29 HA VAL 29 27.431 25.759 15.083
217 HB VAL 29 HB VAL 29 28.893 24.298 13.723
218 HG11 VAL 29 HG11 VAL 29 27.096 22.783 15.661
219 HG12 VAL 29 HG12 VAL 29 28.762 22.381 15.202
220 HG13 VAL 29 HG13 VAL 29 28.437 23.858 16.117
221 HG21 VAL 29 HG21 VAL 29 26.411 22.577 13.279
222 HG22 VAL 29 HG22 VAL 29 27.234 23.512 12.015
223 HG23 VAL 29 HG23 VAL 29 28.078 22.186 12.826
224 HA PRO 30 HA PRO 30 27.164 28.436 11.596
225 HB2 PRO 30 HB2 PRO 30 29.152 30.183 12.164
226 HB3 PRO 30 HB3 PRO 30 27.822 29.899 13.324
227 HG2 PRO 30 HG2 PRO 30 30.584 28.627 13.331
228 HG3 PRO 30 HG3 PRO 30 29.727 29.414 14.697
229 HD2 PRO 30 HD2 PRO 30 29.715 26.703 14.281
230 HD3 PRO 30 HD3 PRO 30 28.351 27.595 15.014
231 H HIS 31 H HIS 31 30.043 26.612 11.793
232 HA HIS 31 HA HIS 31 31.995 26.445 10.582
233 HB2 HIS 31 HB2 HIS 31 30.058 26.394 8.250
234 HB3 HIS 31 HB3 HIS 31 31.661 25.669 8.317
235 HD2 HIS 31 HD2 HIS 31 28.207 24.657 8.473
236 HE1 HIS 31 HE1 HIS 31 30.090 21.822 11.020
237 HE2 HIS 31 HE2 HIS 31 28.001 22.301 9.696
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 12.043 15.726 23.994
2 H2 ALA 1 H2 ALA 1 11.095 14.391 24.193
3 H3 ALA 1 H3 ALA 1 10.405 15.816 23.782
4 HA ALA 1 HA ALA 1 10.535 14.239 21.955
5 HB1 ALA 1 HB1 ALA 1 12.195 16.764 21.545
6 HB2 ALA 1 HB2 ALA 1 11.370 15.831 20.286
7 HB3 ALA 1 HB3 ALA 1 10.415 16.686 21.510
8 H PHE 2 H PHE 2 11.815 13.146 20.425
9 HA PHE 2 HA PHE 2 14.486 12.231 21.297
10 HB2 PHE 2 HB2 PHE 2 12.737 11.622 18.889
11 HB3 PHE 2 HB3 PHE 2 14.311 10.918 19.169
12 HD1 PHE 2 HD1 PHE 2 10.800 10.991 20.381
13 HD2 PHE 2 HD2 PHE 2 14.668 9.125 20.757
14 HE1 PHE 2 HE1 PHE 2 9.779 9.133 21.660
15 HE2 PHE 2 HE2 PHE 2 13.630 7.254 22.016
16 HZ PHE 2 HZ PHE 2 11.188 7.250 22.469
17 H CYS 3 H CYS 3 16.336 12.310 19.701
18 HA CYS 3 HA CYS 3 16.867 15.014 18.950
19 HB2 CYS 3 HB2 CYS 3 18.404 12.939 19.641
20 HB3 CYS 3 HB3 CYS 3 18.546 12.763 17.895
21 H ASN 4 H ASN 4 17.609 15.780 16.778
22 HA ASN 4 HA ASN 4 16.509 14.307 14.419
23 HB2 ASN 4 HB2 ASN 4 16.302 17.286 15.076
24 HB3 ASN 4 HB3 ASN 4 16.178 16.674 13.434
25 HD21 ASN 4 HD21 ASN 4 14.548 14.667 13.278
26 HD22 ASN 4 HD22 ASN 4 12.994 15.114 13.967
27 H LEU 5 H LEU 5 17.570 15.136 12.355
28 HA LEU 5 HA LEU 5 20.190 16.421 12.766
29 HB2 LEU 5 HB2 LEU 5 20.369 13.836 12.588
30 HB3 LEU 5 HB3 LEU 5 19.989 14.049 10.895
31 HG LEU 5 HG LEU 5 22.330 13.855 11.176
32 HD11 LEU 5 HD11 LEU 5 21.915 16.824 10.686
33 HD12 LEU 5 HD12 LEU 5 23.219 15.792 10.093
34 HD13 LEU 5 HD13 LEU 5 21.570 15.546 9.492
35 HD21 LEU 5 HD21 LEU 5 23.725 15.326 12.510
36 HD22 LEU 5 HD22 LEU 5 22.325 16.265 13.037
37 HD23 LEU 5 HD23 LEU 5 22.500 14.568 13.546
38 H ARG 6 H ARG 6 18.455 15.137 9.821
39 HA ARG 6 HA ARG 6 18.928 17.508 8.303
40 HB2 ARG 6 HB2 ARG 6 18.289 15.328 7.335
41 HB3 ARG 6 HB3 ARG 6 16.704 15.424 8.086
42 HG2 ARG 6 HG2 ARG 6 16.703 15.950 5.659
43 HG3 ARG 6 HG3 ARG 6 16.011 17.224 6.649
44 HD2 ARG 6 HD2 ARG 6 17.478 18.022 4.755
45 HD3 ARG 6 HD3 ARG 6 17.897 18.654 6.343
46 HE ARG 6 HE ARG 6 19.933 17.627 6.256
47 HH11 ARG 6 HH11 ARG 6 18.010 16.036 3.680
48 HH12 ARG 6 HH12 ARG 6 19.439 15.255 3.082
49 HH21 ARG 6 HH21 ARG 6 21.579 16.357 5.420
50 HH22 ARG 6 HH22 ARG 6 21.297 15.457 3.937
51 H ARG 7 H ARG 7 16.088 16.642 10.262
52 HA ARG 7 HA ARG 7 14.677 19.154 9.798
53 HB2 ARG 7 HB2 ARG 7 14.407 17.026 11.943
54 HB3 ARG 7 HB3 ARG 7 13.344 18.430 11.829
55 HG2 ARG 7 HG2 ARG 7 12.636 17.740 9.560
56 HG3 ARG 7 HG3 ARG 7 13.721 16.343 9.631
57 HD2 ARG 7 HD2 ARG 7 12.500 15.464 11.581
58 HD3 ARG 7 HD3 ARG 7 11.408 16.863 11.550
59 HE ARG 7 HE ARG 7 11.130 15.852 9.012
60 HH11 ARG 7 HH11 ARG 7 10.765 14.280 12.156
61 HH12 ARG 7 HH12 ARG 7 9.613 13.145 11.478
62 HH21 ARG 7 HH21 ARG 7 9.754 14.454 8.312
63 HH22 ARG 7 HH22 ARG 7 8.970 13.286 9.375
64 H CYS 8 H CYS 8 17.176 18.266 12.069
65 HA CYS 8 HA CYS 8 16.977 20.674 13.721
66 HB2 CYS 8 HB2 CYS 8 18.015 18.616 14.557
67 HB3 CYS 8 HB3 CYS 8 19.203 18.657 13.269
68 H GLU 9 H GLU 9 18.997 19.751 10.839
69 HA GLU 9 HA GLU 9 20.356 22.236 10.523
70 HB2 GLU 9 HB2 GLU 9 19.413 20.231 8.447
71 HB3 GLU 9 HB3 GLU 9 20.501 21.566 8.112
72 HG2 GLU 9 HG2 GLU 9 22.237 20.674 9.451
73 HG3 GLU 9 HG3 GLU 9 21.192 19.442 10.157
74 H LEU 10 H LEU 10 17.150 21.245 9.200
75 HA LEU 10 HA LEU 10 16.621 23.629 7.748
76 HB2 LEU 10 HB2 LEU 10 14.680 21.796 9.213
77 HB3 LEU 10 HB3 LEU 10 14.199 23.048 8.077
78 HG LEU 10 HG LEU 10 15.911 20.640 7.401
79 HD11 LEU 10 HD11 LEU 10 13.932 19.824 6.198
80 HD12 LEU 10 HD12 LEU 10 13.548 20.070 7.909
81 HD13 LEU 10 HD13 LEU 10 13.013 21.256 6.704
82 HD21 LEU 10 HD21 LEU 10 16.442 22.499 5.892
83 HD22 LEU 10 HD22 LEU 10 15.513 21.267 5.042
84 HD23 LEU 10 HD23 LEU 10 14.703 22.752 5.577
85 H SER 11 H SER 11 16.038 22.928 11.177
86 HA SER 11 HA SER 11 14.880 25.497 11.845
87 HB2 SER 11 HB2 SER 11 14.813 23.404 13.274
88 HB3 SER 11 HB3 SER 11 16.533 23.648 13.628
89 HG SER 11 HG SER 11 14.297 25.198 14.333
90 H CYS 12 H CYS 12 18.237 24.372 11.751
91 HA CYS 12 HA CYS 12 19.434 26.756 12.789
92 HB2 CYS 12 HB2 CYS 12 20.518 24.471 11.112
93 HB3 CYS 12 HB3 CYS 12 21.481 25.753 11.784
94 H ARG 13 H ARG 13 18.064 26.220 9.656
95 HA ARG 13 HA ARG 13 19.538 28.027 8.008
96 HB2 ARG 13 HB2 ARG 13 16.533 27.557 8.166
97 HB3 ARG 13 HB3 ARG 13 17.336 28.456 6.896
98 HG2 ARG 13 HG2 ARG 13 18.615 26.483 6.198
99 HG3 ARG 13 HG3 ARG 13 17.861 25.515 7.465
100 HD2 ARG 13 HD2 ARG 13 16.448 26.839 5.112
101 HD3 ARG 13 HD3 ARG 13 16.807 25.114 5.291
102 HE ARG 13 HE ARG 13 15.291 25.924 7.553
103 HH11 ARG 13 HH11 ARG 13 14.733 25.187 4.120
104 HH12 ARG 13 HH12 ARG 13 13.011 25.037 4.432
105 HH21 ARG 13 HH21 ARG 13 13.067 25.514 7.745
106 HH22 ARG 13 HH22 ARG 13 12.166 25.222 6.263
107 H SER 14 H SER 14 17.418 28.709 10.733
108 HA SER 14 HA SER 14 16.697 31.335 10.133
109 HB2 SER 14 HB2 SER 14 15.924 29.894 12.060
110 HB3 SER 14 HB3 SER 14 17.369 30.441 12.936
111 HG SER 14 HG SER 14 15.234 32.013 11.867
112 H LEU 15 H LEU 15 19.834 30.406 11.708
113 HA LEU 15 HA LEU 15 20.898 33.059 10.843
114 HB2 LEU 15 HB2 LEU 15 21.735 31.270 13.159
115 HB3 LEU 15 HB3 LEU 15 22.609 32.697 12.612
116 HG LEU 15 HG LEU 15 19.994 33.645 12.865
117 HD11 LEU 15 HD11 LEU 15 20.614 31.861 15.254
118 HD12 LEU 15 HD12 LEU 15 19.305 33.067 15.164
119 HD13 LEU 15 HD13 LEU 15 19.276 31.653 14.103
120 HD21 LEU 15 HD21 LEU 15 20.864 34.873 14.811
121 HD22 LEU 15 HD22 LEU 15 22.247 33.749 14.905
122 HD23 LEU 15 HD23 LEU 15 22.055 34.825 13.498
123 H GLY 16 H GLY 16 20.644 30.490 9.251
124 HA2 GLY 16 HA2 GLY 16 21.860 29.463 7.586
125 HA3 GLY 16 HA3 GLY 16 23.083 30.719 7.786
126 H LEU 17 H LEU 17 22.225 28.474 10.379
127 HA LEU 17 HA LEU 17 25.017 27.471 10.477
128 HB2 LEU 17 HB2 LEU 17 22.762 27.103 12.447
129 HB3 LEU 17 HB3 LEU 17 24.453 26.733 12.719
130 HG LEU 17 HG LEU 17 23.332 29.500 12.246
131 HD11 LEU 17 HD11 LEU 17 23.505 29.939 14.604
132 HD12 LEU 17 HD12 LEU 17 22.427 28.566 14.340
133 HD13 LEU 17 HD13 LEU 17 24.096 28.302 14.921
134 HD21 LEU 17 HD21 LEU 17 25.956 28.569 13.445
135 HD22 LEU 17 HD22 LEU 17 25.773 29.216 11.792
136 HD23 LEU 17 HD23 LEU 17 25.466 30.265 13.189
137 H LEU 18 H LEU 18 25.218 25.162 11.224
138 HA LEU 18 HA LEU 18 23.296 23.297 9.872
139 HB2 LEU 18 HB2 LEU 18 26.308 23.124 10.194
140 HB3 LEU 18 HB3 LEU 18 25.319 21.722 9.772
141 HG LEU 18 HG LEU 18 25.206 24.277 8.122
142 HD11 LEU 18 HD11 LEU 18 27.544 23.574 8.179
143 HD12 LEU 18 HD12 LEU 18 27.067 21.914 7.777
144 HD13 LEU 18 HD13 LEU 18 26.834 23.226 6.595
145 HD21 LEU 18 HD21 LEU 18 24.481 22.715 6.345
146 HD22 LEU 18 HD22 LEU 18 24.577 21.364 7.491
147 HD23 LEU 18 HD23 LEU 18 23.383 22.664 7.727
148 H GLY 19 H GLY 19 22.935 21.260 10.986
149 HA2 GLY 19 HA2 GLY 19 22.944 21.683 13.959
150 HA3 GLY 19 HA3 GLY 19 21.670 20.902 13.040
151 H LYS 20 H LYS 20 23.853 20.167 15.246
152 HA LYS 20 HA LYS 20 24.209 17.356 14.269
153 HB2 LYS 20 HB2 LYS 20 26.353 19.081 15.572
154 HB3 LYS 20 HB3 LYS 20 26.380 17.326 15.571
155 HG2 LYS 20 HG2 LYS 20 27.738 17.763 13.818
156 HG3 LYS 20 HG3 LYS 20 26.206 17.449 13.002
157 HD2 LYS 20 HD2 LYS 20 25.908 19.846 12.567
158 HD3 LYS 20 HD3 LYS 20 27.255 20.240 13.641
159 HE2 LYS 20 HE2 LYS 20 27.944 20.453 11.319
160 HE3 LYS 20 HE3 LYS 20 28.843 19.159 12.118
161 HZ1 LYS 20 HZ1 LYS 20 28.028 18.571 9.858
162 HZ2 LYS 20 HZ2 LYS 20 27.496 17.537 10.994
163 HZ3 LYS 20 HZ3 LYS 20 26.474 18.674 10.381
164 H CYS 21 H CYS 21 24.011 15.740 15.779
165 HA CYS 21 HA CYS 21 22.403 16.481 18.145
166 HB2 CYS 21 HB2 CYS 21 21.642 14.718 16.562
167 HB3 CYS 21 HB3 CYS 21 23.050 13.753 17.017
168 H ILE 22 H ILE 22 23.147 16.563 20.174
169 HA ILE 22 HA ILE 22 25.960 16.099 20.759
170 HB ILE 22 HB ILE 22 23.591 16.957 22.444
171 HG12 ILE 22 HG12 ILE 22 25.950 18.662 21.564
172 HG13 ILE 22 HG13 ILE 22 24.522 18.483 20.546
173 HG21 ILE 22 HG21 ILE 22 25.280 17.672 24.155
174 HG22 ILE 22 HG22 ILE 22 25.226 15.930 23.959
175 HG23 ILE 22 HG23 ILE 22 26.542 16.860 23.210
176 HD11 ILE 22 HD11 ILE 22 24.329 20.513 21.835
177 HD12 ILE 22 HD12 ILE 22 23.077 19.365 22.347
178 HD13 ILE 22 HD13 ILE 22 24.517 19.634 23.361
179 H GLY 23 H GLY 23 22.925 14.575 21.832
180 HA2 GLY 23 HA2 GLY 23 23.810 11.901 21.858
181 HA3 GLY 23 HA3 GLY 23 24.071 12.536 23.492
182 H GLU 24 H GLU 24 21.812 14.265 23.628
183 HA GLU 24 HA GLU 24 19.400 12.511 23.301
184 HB2 GLU 24 HB2 GLU 24 19.889 14.734 25.332
185 HB3 GLU 24 HB3 GLU 24 18.462 13.730 25.180
186 HG2 GLU 24 HG2 GLU 24 19.787 11.718 25.805
187 HG3 GLU 24 HG3 GLU 24 21.220 12.751 25.991
188 H GLU 25 H GLU 25 20.827 15.675 22.714
189 HA GLU 25 HA GLU 25 18.371 16.668 21.331
190 HB2 GLU 25 HB2 GLU 25 18.493 17.432 23.671
191 HB3 GLU 25 HB3 GLU 25 20.134 17.994 23.426
192 HG2 GLU 25 HG2 GLU 25 18.662 19.864 23.503
193 HG3 GLU 25 HG3 GLU 25 19.326 19.746 21.878
194 H CYS 26 H CYS 26 18.731 18.279 19.698
195 HA CYS 26 HA CYS 26 21.514 18.354 18.614
196 HB2 CYS 26 HB2 CYS 26 19.965 17.039 17.265
197 HB3 CYS 26 HB3 CYS 26 18.874 18.416 17.124
198 H LYS 27 H LYS 27 22.467 20.161 18.090
199 HA LYS 27 HA LYS 27 21.048 22.776 18.141
200 HB2 LYS 27 HB2 LYS 27 23.383 21.986 19.927
201 HB3 LYS 27 HB3 LYS 27 23.003 23.666 19.534
202 HG2 LYS 27 HG2 LYS 27 20.699 23.369 20.432
203 HG3 LYS 27 HG3 LYS 27 21.131 21.721 20.942
204 HD2 LYS 27 HD2 LYS 27 22.929 22.620 22.372
205 HD3 LYS 27 HD3 LYS 27 22.536 24.276 21.851
206 HE2 LYS 27 HE2 LYS 27 20.286 24.089 22.815
207 HE3 LYS 27 HE3 LYS 27 20.587 22.397 23.249
208 HZ1 LYS 27 HZ1 LYS 27 22.379 23.147 24.683
209 HZ2 LYS 27 HZ2 LYS 27 22.080 24.718 24.343
210 HZ3 LYS 27 HZ3 LYS 27 20.957 23.833 25.155
211 H CYS 28 H CYS 28 22.259 24.533 17.364
212 HA CYS 28 HA CYS 28 23.388 23.817 14.821
213 HB2 CYS 28 HB2 CYS 28 22.861 26.503 16.101
214 HB3 CYS 28 HB3 CYS 28 23.221 26.232 14.407
215 H VAL 29 H VAL 29 25.265 24.919 13.801
216 HA VAL 29 HA VAL 29 27.433 25.797 15.603
217 HB VAL 29 HB VAL 29 29.126 24.410 14.619
218 HG11 VAL 29 HG11 VAL 29 28.644 22.305 15.694
219 HG12 VAL 29 HG12 VAL 29 27.986 23.623 16.675
220 HG13 VAL 29 HG13 VAL 29 26.901 22.633 15.674
221 HG21 VAL 29 HG21 VAL 29 28.205 23.901 12.394
222 HG22 VAL 29 HG22 VAL 29 28.657 22.434 13.258
223 HG23 VAL 29 HG23 VAL 29 26.951 22.892 13.145
224 HA PRO 30 HA PRO 30 27.935 28.706 12.312
225 HB2 PRO 30 HB2 PRO 30 30.152 30.048 13.089
226 HB3 PRO 30 HB3 PRO 30 28.660 30.035 14.082
227 HG2 PRO 30 HG2 PRO 30 31.122 28.278 14.400
228 HG3 PRO 30 HG3 PRO 30 30.275 29.248 15.655
229 HD2 PRO 30 HD2 PRO 30 29.794 26.576 15.279
230 HD3 PRO 30 HD3 PRO 30 28.514 27.714 15.787
231 H HIS 31 H HIS 31 30.253 26.213 12.641
232 HA HIS 31 HA HIS 31 32.011 26.904 10.459
233 HB2 HIS 31 HB2 HIS 31 31.439 24.143 11.597
234 HB3 HIS 31 HB3 HIS 31 32.877 24.644 10.719
235 HD2 HIS 31 HD2 HIS 31 31.687 24.110 14.161
236 HE1 HIS 31 HE1 HIS 31 34.650 27.123 14.657
237 HE2 HIS 31 HE2 HIS 31 33.182 25.467 15.886