Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
593858 | 2msf RC | 25122 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H1 LYS 1 16.787 24.908 30.474
2 H2 LYS 1 H2 LYS 1 18.334 25.121 29.890
3 H3 LYS 1 H3 LYS 1 17.609 23.582 29.865
4 HA LYS 1 HA LYS 1 15.957 24.398 28.317
5 HB2 LYS 1 HB3 LYS 1 17.799 26.841 28.102
6 HB3 LYS 1 HB2 LYS 1 16.325 26.554 27.142
7 HG2 LYS 1 HG3 LYS 1 16.461 27.031 30.176
8 HG3 LYS 1 HG2 LYS 1 16.055 28.228 28.937
9 HD2 LYS 1 HD3 LYS 1 13.993 27.079 28.334
10 HD3 LYS 1 HD2 LYS 1 14.400 25.655 29.327
11 HE2 LYS 1 HE3 LYS 1 12.661 27.122 30.363
12 HE3 LYS 1 HE2 LYS 1 14.108 26.865 31.415
13 HZ1 LYS 1 HZ1 LYS 1 13.162 29.220 31.148
14 HZ2 LYS 1 HZ2 LYS 1 13.958 29.249 29.657
15 HZ3 LYS 1 HZ3 LYS 1 14.828 28.986 31.074
16 HA PRO 2 HA PRO 2 19.062 22.826 25.509
17 HB2 PRO 2 HB3 PRO 2 16.934 23.378 23.385
18 HB3 PRO 2 HB2 PRO 2 17.964 21.916 23.602
19 HG2 PRO 2 HG3 PRO 2 15.309 21.938 24.414
20 HG3 PRO 2 HG2 PRO 2 16.563 21.185 25.491
21 HD2 PRO 2 HD3 PRO 2 15.361 24.016 25.670
22 HD3 PRO 2 HD2 PRO 2 15.660 22.783 26.987
23 H LYS 3 H LYS 3 20.144 23.283 23.555
24 HA LYS 3 HA LYS 3 19.686 25.664 22.147
25 HB2 LYS 3 HB3 LYS 3 20.876 26.627 24.182
26 HB3 LYS 3 HB2 LYS 3 22.324 25.692 23.706
27 HG2 LYS 3 HG3 LYS 3 22.429 26.893 21.546
28 HG3 LYS 3 HG2 LYS 3 20.849 27.683 21.872
29 HD2 LYS 3 HD3 LYS 3 21.791 29.050 23.650
30 HD3 LYS 3 HD2 LYS 3 23.300 28.092 23.671
31 HE2 LYS 3 HE3 LYS 3 23.662 30.277 22.518
32 HE3 LYS 3 HE2 LYS 3 23.912 28.893 21.386
33 HZ1 LYS 3 HZ1 LYS 3 22.648 30.547 20.336
34 HZ2 LYS 3 HZ2 LYS 3 21.514 30.635 21.600
35 HZ3 LYS 3 HZ3 LYS 3 21.603 29.264 20.593
36 H CYS 4 H CYS 4 21.713 22.970 22.936
37 HA CYS 4 HA CYS 4 23.252 21.797 21.860
38 HB2 CYS 4 HB3 CYS 4 22.178 20.408 20.171
39 HB3 CYS 4 HB2 CYS 4 21.029 20.839 21.458
40 H GLY 5 H GLY 5 24.283 20.877 20.072
41 HA2 GLY 5 HA3 GLY 5 25.416 20.958 18.166
42 HA3 GLY 5 HA2 GLY 5 24.704 22.574 17.819
43 H LEU 6 H LEU 6 26.041 22.658 20.912
44 HA LEU 6 HA LEU 6 28.068 24.355 19.785
45 HB2 LEU 6 HB3 LEU 6 26.914 24.120 22.617
46 HB3 LEU 6 HB2 LEU 6 28.149 25.328 22.101
47 HG LEU 6 HG LEU 6 25.400 25.043 20.812
48 HD11 LEU 6 HD11 LEU 6 24.926 25.498 23.128
49 HD12 LEU 6 HD12 LEU 6 24.785 27.067 22.253
50 HD13 LEU 6 HD13 LEU 6 26.253 26.725 23.247
51 HD21 LEU 6 HD21 LEU 6 25.769 27.418 20.092
52 HD22 LEU 6 HD22 LEU 6 27.035 26.327 19.428
53 HD23 LEU 6 HD23 LEU 6 27.406 27.395 20.838
54 H CYS 7 H CYS 7 28.499 23.364 22.981
55 HA CYS 7 HA CYS 7 30.173 21.058 22.295
56 HB2 CYS 7 HB3 CYS 7 31.209 23.480 23.912
57 HB3 CYS 7 HB2 CYS 7 31.990 21.875 23.862
58 H ARG 8 H ARG 8 30.154 19.492 23.455
59 HA ARG 8 HA ARG 8 29.439 18.029 24.849
60 HB2 ARG 8 HB3 ARG 8 31.016 19.554 26.267
61 HB3 ARG 8 HB2 ARG 8 29.539 20.006 27.158
62 HG2 ARG 8 HG3 ARG 8 29.192 17.558 27.730
63 HG3 ARG 8 HG2 ARG 8 30.551 17.134 26.645
64 HD2 ARG 8 HD3 ARG 8 32.087 18.582 28.160
65 HD3 ARG 8 HD2 ARG 8 30.707 18.680 29.313
66 HE ARG 8 HE ARG 8 31.011 16.386 29.840
67 HH11 ARG 8 HH21 ARG 8 33.388 17.152 27.305
68 HH12 ARG 8 HH22 ARG 8 33.762 15.476 27.071
69 HH21 ARG 8 HH11 ARG 8 31.911 14.251 29.653
70 HH22 ARG 8 HH12 ARG 8 33.089 13.964 28.402
71 H TYR 9 H TYR 9 27.569 19.966 23.638
72 HA TYR 9 HA TYR 9 25.766 20.567 25.828
73 HB2 TYR 9 HB3 TYR 9 26.687 22.078 23.825
74 HB3 TYR 9 HB2 TYR 9 25.220 21.533 22.956
75 HD1 TYR 9 HD1 TYR 9 23.018 21.607 24.564
76 HD2 TYR 9 HD2 TYR 9 26.534 23.961 25.004
77 HE1 TYR 9 HE1 TYR 9 21.715 23.366 25.662
78 HE2 TYR 9 HE2 TYR 9 25.232 25.732 26.043
79 HH TYR 9 HH TYR 9 23.192 26.417 26.679
80 H ARG 10 H ARG 10 25.207 19.569 22.484
81 HA ARG 10 HA ARG 10 24.804 17.101 22.912
82 HB2 ARG 10 HB3 ARG 10 22.566 16.444 22.304
83 HB3 ARG 10 HB2 ARG 10 22.823 17.004 23.964
84 HG2 ARG 10 HG3 ARG 10 21.953 19.369 23.070
85 HG3 ARG 10 HG2 ARG 10 21.291 18.412 21.706
86 HD2 ARG 10 HD3 ARG 10 19.561 18.701 23.446
87 HD3 ARG 10 HD2 ARG 10 20.058 16.951 23.437
88 HE ARG 10 HE ARG 10 21.776 18.368 25.268
89 HH11 ARG 10 HH21 ARG 10 18.265 17.683 25.064
90 HH12 ARG 10 HH22 ARG 10 18.131 17.629 26.780
91 HH21 ARG 10 HH11 ARG 10 21.526 17.911 27.493
92 HH22 ARG 10 HH12 ARG 10 20.052 17.210 28.009
93 H CYS 11 H CYS 11 24.169 16.289 20.459
94 HA CYS 11 HA CYS 11 24.797 18.235 18.508
95 HB2 CYS 11 HB3 CYS 11 23.281 15.631 17.978
96 HB3 CYS 11 HB2 CYS 11 24.472 16.450 16.931
97 H CYS 12 H CYS 12 23.180 19.404 17.072
98 HA CYS 12 HA CYS 12 20.587 19.438 18.298
99 HB2 CYS 12 HB3 CYS 12 21.484 20.725 15.690
100 HB3 CYS 12 HB2 CYS 12 19.857 20.859 16.417
101 H SER 13 H SER 13 21.316 18.759 14.849
102 HA SER 13 HA SER 13 19.193 16.739 14.931
103 HB2 SER 13 HB3 SER 13 19.011 18.784 13.399
104 HB3 SER 13 HB2 SER 13 20.428 18.166 12.507
105 HG SER 13 HG SER 13 17.810 17.295 12.670
106 H GLY 14 H GLY 14 22.520 17.221 14.811
107 HA2 GLY 14 HA3 GLY 14 23.971 15.261 14.836
108 HA3 GLY 14 HA2 GLY 14 23.013 14.636 13.449
109 H GLY 15 H GLY 15 24.588 17.757 14.328
110 HA2 GLY 15 HA3 GLY 15 26.550 17.746 12.419
111 HA3 GLY 15 HA2 GLY 15 25.044 18.476 11.706
112 H CYS 16 H CYS 16 27.477 18.738 14.243
113 HA CYS 16 HA CYS 16 26.366 20.781 15.701
114 HB2 CYS 16 HB3 CYS 16 29.263 19.961 15.245
115 HB3 CYS 16 HB2 CYS 16 28.804 21.220 16.422
116 H SER 17 H SER 17 27.014 22.907 16.130
117 HA SER 17 HA SER 17 27.643 24.546 13.865
118 HB2 SER 17 HB3 SER 17 27.351 25.286 16.835
119 HB3 SER 17 HB2 SER 17 27.418 26.417 15.436
120 HG SER 17 HG SER 17 25.313 26.087 16.020
121 H SER 18 H SER 18 29.107 23.412 16.940
122 HA SER 18 HA SER 18 31.562 24.804 16.182
123 HB2 SER 18 HB3 SER 18 30.494 25.234 18.444
124 HB3 SER 18 HB2 SER 18 31.038 23.601 18.927
125 HG SER 18 HG SER 18 32.572 25.306 19.364
126 H GLY 19 H GLY 19 30.942 21.670 17.923
127 HA2 GLY 19 HA3 GLY 19 33.578 20.912 17.013
128 HA3 GLY 19 HA2 GLY 19 32.561 20.181 18.288
129 H LYS 20 H LYS 20 31.499 18.293 17.824
130 HA LYS 20 HA LYS 20 30.832 17.386 15.359
131 HB2 LYS 20 HB3 LYS 20 33.669 16.640 16.211
132 HB3 LYS 20 HB2 LYS 20 32.670 15.346 15.522
133 HG2 LYS 20 HG3 LYS 20 33.427 17.889 14.032
134 HG3 LYS 20 HG2 LYS 20 34.129 16.257 13.847
135 HD2 LYS 20 HD3 LYS 20 31.874 15.345 13.209
136 HD3 LYS 20 HD2 LYS 20 31.191 16.993 13.284
137 HE2 LYS 20 HE3 LYS 20 33.356 16.009 11.312
138 HE3 LYS 20 HE2 LYS 20 31.626 16.383 10.956
139 HZ1 LYS 20 HZ1 LYS 20 32.851 18.310 10.360
140 HZ2 LYS 20 HZ2 LYS 20 33.799 18.263 11.725
141 HZ3 LYS 20 HZ3 LYS 20 32.186 18.703 11.844
142 H CYS 21 H CYS 21 29.151 16.765 16.310
143 HA CYS 21 HA CYS 21 28.413 15.567 18.507
144 HB2 CYS 21 HB3 CYS 21 27.064 15.964 16.339
145 HB3 CYS 21 HB2 CYS 21 27.819 14.500 15.664
146 H VAL 22 H VAL 22 29.110 14.019 19.811
147 HA VAL 22 HA VAL 22 30.885 12.119 18.777
148 HB VAL 22 HB VAL 22 30.965 13.219 21.020
149 HG11 VAL 22 HG11 VAL 22 28.665 12.609 21.874
150 HG12 VAL 22 HG12 VAL 22 29.998 12.037 22.926
151 HG13 VAL 22 HG13 VAL 22 29.155 10.863 21.869
152 HG21 VAL 22 HG21 VAL 22 32.516 11.443 20.183
153 HG22 VAL 22 HG22 VAL 22 31.397 10.166 20.787
154 HG23 VAL 22 HG23 VAL 22 32.203 11.279 21.948
155 H ASN 23 H ASN 23 27.599 12.186 19.494
156 HA ASN 23 HA ASN 23 26.559 10.125 18.186
157 HB2 ASN 23 HB3 ASN 23 27.935 8.558 19.753
158 HB3 ASN 23 HB2 ASN 23 27.001 9.214 21.123
159 HD21 ASN 23 HD21 ASN 23 27.028 7.009 18.368
160 HD22 ASN 23 HD22 ASN 23 25.510 6.268 18.729
161 H GLY 24 H GLY 24 26.729 11.742 21.317
162 HA2 GLY 24 HA3 GLY 24 23.872 12.466 21.103
163 HA3 GLY 24 HA2 GLY 24 24.620 11.741 22.572
164 H ALA 25 H ALA 25 27.038 13.680 21.442
165 HA ALA 25 HA ALA 25 26.009 16.181 21.945
166 HB1 ALA 25 HB1 ALA 25 27.736 14.957 24.218
167 HB2 ALA 25 HB2 ALA 25 26.037 15.516 24.409
168 HB3 ALA 25 HB3 ALA 25 27.335 16.710 24.070
169 H CYS 26 H CYS 26 27.317 17.710 21.402
170 HA CYS 26 HA CYS 26 29.213 17.076 19.527
171 HB2 CYS 26 HB3 CYS 26 27.675 19.187 20.060
172 HB3 CYS 26 HB2 CYS 26 29.099 19.774 20.966
173 H ASP 27 H ASP 27 31.079 16.333 19.531
174 HA ASP 27 HA ASP 27 32.845 16.583 21.732
175 HB2 ASP 27 HB3 ASP 27 32.479 14.424 20.324
176 HB3 ASP 27 HB2 ASP 27 33.489 15.219 19.070
177 H CYS 28 H CYS 28 32.979 18.571 21.801
178 HA CYS 28 HA CYS 28 34.143 20.455 20.142
179 HB2 CYS 28 HB3 CYS 28 32.903 20.462 22.503
180 HB3 CYS 28 HB2 CYS 28 34.511 20.300 23.209
181 H SER 29 H SER 29 35.344 18.116 22.317
182 HA SER 29 HA SER 29 37.388 18.881 23.431
183 HB2 SER 29 HB3 SER 29 36.399 16.511 23.331
184 HB3 SER 29 HB2 SER 29 37.709 16.123 22.186
185 HG SER 29 HG SER 29 38.250 15.720 24.393
Start of MODEL 2
1 H1 LYS 1 H1 LYS 1 15.521 25.519 29.035
2 H2 LYS 1 H2 LYS 1 16.988 26.231 28.615
3 H3 LYS 1 H3 LYS 1 16.954 24.655 29.181
4 HA LYS 1 HA LYS 1 15.687 23.943 27.285
5 HB2 LYS 1 HB3 LYS 1 14.469 25.972 26.886
6 HB3 LYS 1 HB2 LYS 1 15.961 26.872 26.477
7 HG2 LYS 1 HG3 LYS 1 16.238 25.762 24.393
8 HG3 LYS 1 HG2 LYS 1 15.134 24.434 24.829
9 HD2 LYS 1 HD3 LYS 1 14.244 27.358 24.477
10 HD3 LYS 1 HD2 LYS 1 14.270 26.167 23.146
11 HE2 LYS 1 HE3 LYS 1 12.545 25.936 25.705
12 HE3 LYS 1 HE2 LYS 1 11.990 26.411 24.054
13 HZ1 LYS 1 HZ1 LYS 1 11.544 24.119 24.392
14 HZ2 LYS 1 HZ2 LYS 1 13.141 23.774 24.845
15 HZ3 LYS 1 HZ3 LYS 1 12.762 24.239 23.260
16 HA PRO 2 HA PRO 2 19.927 23.366 26.031
17 HB2 PRO 2 HB3 PRO 2 18.587 21.574 23.946
18 HB3 PRO 2 HB2 PRO 2 20.118 21.271 24.878
19 HG2 PRO 2 HG3 PRO 2 17.781 20.114 25.726
20 HG3 PRO 2 HG2 PRO 2 18.816 20.958 26.948
21 HD2 PRO 2 HD3 PRO 2 16.352 22.074 25.471
22 HD3 PRO 2 HD2 PRO 2 16.749 22.111 27.249
23 H LYS 3 H LYS 3 21.187 24.643 24.900
24 HA LYS 3 HA LYS 3 20.160 26.005 22.606
25 HB2 LYS 3 HB3 LYS 3 21.501 27.125 24.279
26 HB3 LYS 3 HB2 LYS 3 22.912 26.089 23.940
27 HG2 LYS 3 HG3 LYS 3 23.249 27.061 21.781
28 HG3 LYS 3 HG2 LYS 3 21.581 27.702 21.686
29 HD2 LYS 3 HD3 LYS 3 23.599 28.717 23.761
30 HD3 LYS 3 HD2 LYS 3 23.482 29.392 22.102
31 HE2 LYS 3 HE3 LYS 3 21.112 30.027 22.449
32 HE3 LYS 3 HE2 LYS 3 21.125 29.313 24.111
33 HZ1 LYS 3 HZ1 LYS 3 22.901 31.540 23.196
34 HZ2 LYS 3 HZ2 LYS 3 22.816 30.882 24.743
35 HZ3 LYS 3 HZ3 LYS 3 21.498 31.726 24.079
36 H CYS 4 H CYS 4 22.318 23.382 23.233
37 HA CYS 4 HA CYS 4 23.418 21.924 21.990
38 HB2 CYS 4 HB3 CYS 4 22.222 20.667 20.393
39 HB3 CYS 4 HB2 CYS 4 21.085 21.243 21.637
40 H GLY 5 H GLY 5 24.358 21.068 20.091
41 HA2 GLY 5 HA3 GLY 5 25.616 21.252 18.265
42 HA3 GLY 5 HA2 GLY 5 24.970 22.918 18.015
43 H LEU 6 H LEU 6 26.193 22.662 21.147
44 HA LEU 6 HA LEU 6 28.331 24.376 20.322
45 HB2 LEU 6 HB3 LEU 6 27.020 23.865 23.046
46 HB3 LEU 6 HB2 LEU 6 28.356 25.039 22.758
47 HG LEU 6 HG LEU 6 25.641 25.102 21.368
48 HD11 LEU 6 HD11 LEU 6 26.655 26.513 23.924
49 HD12 LEU 6 HD12 LEU 6 25.248 25.396 23.773
50 HD13 LEU 6 HD13 LEU 6 25.193 27.037 23.022
51 HD21 LEU 6 HD21 LEU 6 27.354 26.349 20.087
52 HD22 LEU 6 HD22 LEU 6 27.888 27.217 21.581
53 HD23 LEU 6 HD23 LEU 6 26.246 27.509 20.904
54 H CYS 7 H CYS 7 28.604 23.064 23.385
55 HA CYS 7 HA CYS 7 30.293 20.816 22.550
56 HB2 CYS 7 HB3 CYS 7 31.295 22.829 24.667
57 HB3 CYS 7 HB2 CYS 7 32.150 21.387 24.028
58 H ARG 8 H ARG 8 30.127 19.168 23.497
59 HA ARG 8 HA ARG 8 29.245 17.562 24.627
60 HB2 ARG 8 HB3 ARG 8 31.003 18.409 26.220
61 HB3 ARG 8 HB2 ARG 8 29.697 19.187 27.153
62 HG2 ARG 8 HG3 ARG 8 28.667 16.984 27.612
63 HG3 ARG 8 HG2 ARG 8 29.806 16.177 26.488
64 HD2 ARG 8 HD3 ARG 8 31.717 16.685 27.965
65 HD3 ARG 8 HD2 ARG 8 30.634 17.619 29.091
66 HE ARG 8 HE ARG 8 29.404 15.072 28.791
67 HH11 ARG 8 HH11 ARG 8 32.663 16.095 29.827
68 HH12 ARG 8 HH12 ARG 8 32.835 14.803 30.948
69 HH21 ARG 8 HH21 ARG 8 29.598 13.453 30.281
70 HH22 ARG 8 HH22 ARG 8 31.088 13.211 31.164
71 H TYR 9 H TYR 9 27.585 19.718 23.676
72 HA TYR 9 HA TYR 9 25.800 20.247 25.889
73 HB2 TYR 9 HB3 TYR 9 26.877 21.779 23.932
74 HB3 TYR 9 HB2 TYR 9 25.283 21.521 23.154
75 HD1 TYR 9 HD2 TYR 9 23.237 21.850 24.821
76 HD2 TYR 9 HD1 TYR 9 27.154 23.347 25.543
77 HE1 TYR 9 HE2 TYR 9 22.328 23.484 26.391
78 HE2 TYR 9 HE1 TYR 9 26.244 25.001 27.083
79 HH TYR 9 HH TYR 9 22.759 25.279 27.684
80 H ARG 10 H ARG 10 25.145 19.543 22.485
81 HA ARG 10 HA ARG 10 24.633 17.106 22.793
82 HB2 ARG 10 HB3 ARG 10 22.480 16.474 22.146
83 HB3 ARG 10 HB2 ARG 10 22.580 17.048 23.827
84 HG2 ARG 10 HG3 ARG 10 21.317 19.016 23.395
85 HG3 ARG 10 HG2 ARG 10 21.550 18.909 21.613
86 HD2 ARG 10 HD3 ARG 10 19.205 18.272 22.581
87 HD3 ARG 10 HD2 ARG 10 19.967 17.204 21.320
88 HE ARG 10 HE ARG 10 20.813 16.272 23.906
89 HH11 ARG 10 HH21 ARG 10 17.687 16.298 22.204
90 HH12 ARG 10 HH22 ARG 10 17.465 14.610 22.430
91 HH21 ARG 10 HH11 ARG 10 20.516 14.131 24.099
92 HH22 ARG 10 HH12 ARG 10 19.126 13.332 23.416
93 H CYS 11 H CYS 11 23.989 16.381 20.333
94 HA CYS 11 HA CYS 11 24.688 18.461 18.513
95 HB2 CYS 11 HB3 CYS 11 23.564 15.753 17.707
96 HB3 CYS 11 HB2 CYS 11 24.787 16.758 16.869
97 H CYS 12 H CYS 12 23.065 19.579 17.121
98 HA CYS 12 HA CYS 12 20.552 19.611 18.389
99 HB2 CYS 12 HB3 CYS 12 21.390 20.919 15.771
100 HB3 CYS 12 HB2 CYS 12 19.851 21.203 16.627
101 H SER 13 H SER 13 21.209 18.717 14.928
102 HA SER 13 HA SER 13 19.126 16.663 15.347
103 HB2 SER 13 HB3 SER 13 18.722 18.584 13.665
104 HB3 SER 13 HB2 SER 13 19.996 17.825 12.657
105 HG SER 13 HG SER 13 17.969 17.121 12.104
106 H GLY 14 H GLY 14 22.325 16.954 15.407
107 HA2 GLY 14 HA3 GLY 14 23.760 15.080 15.374
108 HA3 GLY 14 HA2 GLY 14 22.789 14.364 14.053
109 H GLY 15 H GLY 15 24.284 17.622 14.500
110 HA2 GLY 15 HA3 GLY 15 26.252 17.370 12.578
111 HA3 GLY 15 HA2 GLY 15 24.722 17.980 11.823
112 H CYS 16 H CYS 16 27.205 18.529 14.168
113 HA CYS 16 HA CYS 16 26.231 20.720 15.563
114 HB2 CYS 16 HB3 CYS 16 29.013 19.629 15.023
115 HB3 CYS 16 HB2 CYS 16 28.758 21.030 16.086
116 H SER 17 H SER 17 26.955 22.811 15.819
117 HA SER 17 HA SER 17 27.972 24.177 13.464
118 HB2 SER 17 HB3 SER 17 27.277 25.253 16.260
119 HB3 SER 17 HB2 SER 17 27.757 26.225 14.822
120 HG SER 17 HG SER 17 25.609 26.259 14.842
121 H SER 18 H SER 18 28.882 23.494 16.896
122 HA SER 18 HA SER 18 31.361 24.916 16.355
123 HB2 SER 18 HB3 SER 18 30.054 25.474 18.385
124 HB3 SER 18 HB2 SER 18 30.307 23.815 18.995
125 HG SER 18 HG SER 18 32.172 25.902 18.624
126 H GLY 19 H GLY 19 30.633 21.820 18.066
127 HA2 GLY 19 HA3 GLY 19 33.395 21.102 17.710
128 HA3 GLY 19 HA2 GLY 19 32.114 20.241 18.618
129 H LYS 20 H LYS 20 31.084 18.589 17.713
130 HA LYS 20 HA LYS 20 30.379 17.848 15.382
131 HB2 LYS 20 HB3 LYS 20 33.330 17.384 15.358
132 HB3 LYS 20 HB2 LYS 20 32.325 16.015 14.814
133 HG2 LYS 20 HG3 LYS 20 31.190 17.261 13.123
134 HG3 LYS 20 HG2 LYS 20 31.896 18.805 13.637
135 HD2 LYS 20 HD3 LYS 20 33.362 16.411 12.378
136 HD3 LYS 20 HD2 LYS 20 32.976 17.968 11.599
137 HE2 LYS 20 HE3 LYS 20 35.024 17.448 13.855
138 HE3 LYS 20 HE2 LYS 20 35.343 17.975 12.161
139 HZ1 LYS 20 HZ1 LYS 20 33.894 19.537 14.250
140 HZ2 LYS 20 HZ2 LYS 20 34.135 20.067 12.689
141 HZ3 LYS 20 HZ3 LYS 20 35.458 19.797 13.728
142 H CYS 21 H CYS 21 28.994 16.761 16.223
143 HA CYS 21 HA CYS 21 28.452 15.584 18.420
144 HB2 CYS 21 HB3 CYS 21 27.154 15.755 16.184
145 HB3 CYS 21 HB2 CYS 21 27.897 14.215 15.707
146 H VAL 22 H VAL 22 29.201 14.187 19.799
147 HA VAL 22 HA VAL 22 31.209 12.407 19.054
148 HB VAL 22 HB VAL 22 30.802 13.696 21.239
149 HG11 VAL 22 HG11 VAL 22 29.445 11.030 22.012
150 HG12 VAL 22 HG12 VAL 22 28.620 12.644 21.905
151 HG13 VAL 22 HG13 VAL 22 29.933 12.369 23.095
152 HG21 VAL 22 HG21 VAL 22 32.794 12.340 20.661
153 HG22 VAL 22 HG22 VAL 22 31.943 10.828 21.131
154 HG23 VAL 22 HG23 VAL 22 32.319 12.082 22.372
155 H ASN 23 H ASN 23 27.901 12.252 19.320
156 HA ASN 23 HA ASN 23 27.074 10.273 17.959
157 HB2 ASN 23 HB3 ASN 23 28.364 8.527 19.258
158 HB3 ASN 23 HB2 ASN 23 27.506 9.049 20.756
159 HD21 ASN 23 HD21 ASN 23 26.554 8.246 17.315
160 HD22 ASN 23 HD22 ASN 23 25.186 7.268 17.765
161 H GLY 24 H GLY 24 26.935 11.762 21.134
162 HA2 GLY 24 HA3 GLY 24 24.080 12.337 20.684
163 HA3 GLY 24 HA2 GLY 24 24.637 11.487 22.165
164 H ALA 25 H ALA 25 26.940 13.772 21.091
165 HA ALA 25 HA ALA 25 25.826 16.129 21.843
166 HB1 ALA 25 HB1 ALA 25 27.653 14.889 24.039
167 HB2 ALA 25 HB2 ALA 25 25.911 15.253 24.275
168 HB3 ALA 25 HB3 ALA 25 27.063 16.603 23.985
169 H CYS 26 H CYS 26 27.079 17.720 21.304
170 HA CYS 26 HA CYS 26 28.986 17.197 19.408
171 HB2 CYS 26 HB3 CYS 26 27.346 19.225 20.009
172 HB3 CYS 26 HB2 CYS 26 28.769 19.841 20.920
173 H ASP 27 H ASP 27 30.972 16.636 19.347
174 HA ASP 27 HA ASP 27 32.621 16.988 21.629
175 HB2 ASP 27 HB3 ASP 27 32.170 14.761 20.290
176 HB3 ASP 27 HB2 ASP 27 33.410 15.386 19.146
177 H CYS 28 H CYS 28 33.038 18.987 21.559
178 HA CYS 28 HA CYS 28 34.595 20.331 19.590
179 HB2 CYS 28 HB3 CYS 28 34.143 20.926 22.580
180 HB3 CYS 28 HB2 CYS 28 34.994 22.028 21.458
181 H SER 29 H SER 29 35.219 18.133 22.007
182 HA SER 29 HA SER 29 37.026 18.157 23.505
183 HB2 SER 29 HB3 SER 29 36.192 16.111 22.318
184 HB3 SER 29 HB2 SER 29 37.581 16.248 21.190
185 HG SER 29 HG SER 29 37.841 14.847 22.985
Start of MODEL 3
1 H1 LYS 1 H1 LYS 1 17.477 22.890 29.883
2 H2 LYS 1 H2 LYS 1 17.249 21.624 28.828
3 H3 LYS 1 H3 LYS 1 15.930 22.433 29.486
4 HA LYS 1 HA LYS 1 16.014 23.372 27.393
5 HB2 LYS 1 HB3 LYS 1 15.931 24.962 29.298
6 HB3 LYS 1 HB2 LYS 1 17.703 25.145 29.231
7 HG2 LYS 1 HG3 LYS 1 17.514 26.181 26.994
8 HG3 LYS 1 HG2 LYS 1 15.743 25.903 26.961
9 HD2 LYS 1 HD3 LYS 1 17.219 27.576 29.087
10 HD3 LYS 1 HD2 LYS 1 16.521 28.246 27.583
11 HE2 LYS 1 HE3 LYS 1 14.227 27.457 28.282
12 HE3 LYS 1 HE2 LYS 1 14.921 26.858 29.843
13 HZ1 LYS 1 HZ1 LYS 1 15.691 29.151 30.248
14 HZ2 LYS 1 HZ2 LYS 1 14.001 29.033 30.114
15 HZ3 LYS 1 HZ3 LYS 1 14.928 29.668 28.852
16 HA PRO 2 HA PRO 2 20.174 22.600 25.744
17 HB2 PRO 2 HB3 PRO 2 19.492 21.467 23.308
18 HB3 PRO 2 HB2 PRO 2 19.599 20.534 24.846
19 HG2 PRO 2 HG3 PRO 2 17.091 21.689 23.538
20 HG3 PRO 2 HG2 PRO 2 17.328 20.029 24.231
21 HD2 PRO 2 HD3 PRO 2 16.110 22.095 25.643
22 HD3 PRO 2 HD2 PRO 2 17.154 20.853 26.475
23 H LYS 3 H LYS 3 21.244 24.225 24.847
24 HA LYS 3 HA LYS 3 19.967 25.956 22.894
25 HB2 LYS 3 HB3 LYS 3 21.535 26.844 24.630
26 HB3 LYS 3 HB2 LYS 3 22.822 25.801 24.006
27 HG2 LYS 3 HG3 LYS 3 23.120 28.090 23.239
28 HG3 LYS 3 HG2 LYS 3 22.862 27.012 21.844
29 HD2 LYS 3 HD3 LYS 3 21.743 29.226 21.645
30 HD3 LYS 3 HD2 LYS 3 20.596 27.854 21.516
31 HE2 LYS 3 HE3 LYS 3 19.755 28.218 23.775
32 HE3 LYS 3 HE2 LYS 3 21.031 29.445 24.143
33 HZ1 LYS 3 HZ1 LYS 3 19.353 29.943 21.794
34 HZ2 LYS 3 HZ2 LYS 3 19.928 31.012 22.943
35 HZ3 LYS 3 HZ3 LYS 3 18.604 30.050 23.314
36 H CYS 4 H CYS 4 22.400 23.467 23.106
37 HA CYS 4 HA CYS 4 23.324 22.090 21.744
38 HB2 CYS 4 HB3 CYS 4 22.020 20.868 20.213
39 HB3 CYS 4 HB2 CYS 4 20.888 21.503 21.430
40 H GLY 5 H GLY 5 24.262 21.391 19.846
41 HA2 GLY 5 HA3 GLY 5 25.325 21.689 17.929
42 HA3 GLY 5 HA2 GLY 5 24.774 23.407 17.863
43 H LEU 6 H LEU 6 26.109 23.017 20.894
44 HA LEU 6 HA LEU 6 28.273 24.640 19.951
45 HB2 LEU 6 HB3 LEU 6 26.995 24.180 22.707
46 HB3 LEU 6 HB2 LEU 6 28.357 25.330 22.404
47 HG LEU 6 HG LEU 6 25.771 25.544 20.856
48 HD11 LEU 6 HD11 LEU 6 25.042 27.189 22.715
49 HD12 LEU 6 HD12 LEU 6 26.312 26.453 23.754
50 HD13 LEU 6 HD13 LEU 6 24.954 25.433 23.143
51 HD21 LEU 6 HD21 LEU 6 27.771 26.956 20.207
52 HD22 LEU 6 HD22 LEU 6 27.844 27.617 21.887
53 HD23 LEU 6 HD23 LEU 6 26.430 27.979 20.832
54 H CYS 7 H CYS 7 28.645 23.487 23.019
55 HA CYS 7 HA CYS 7 30.392 21.246 22.231
56 HB2 CYS 7 HB3 CYS 7 31.265 23.521 24.153
57 HB3 CYS 7 HB2 CYS 7 32.144 21.972 23.901
58 H ARG 8 H ARG 8 30.324 19.622 23.187
59 HA ARG 8 HA ARG 8 29.255 18.038 24.102
60 HB2 ARG 8 HB3 ARG 8 31.253 18.578 25.610
61 HB3 ARG 8 HB2 ARG 8 30.039 19.104 26.812
62 HG2 ARG 8 HG3 ARG 8 28.993 16.794 26.656
63 HG3 ARG 8 HG2 ARG 8 30.169 16.352 25.391
64 HD2 ARG 8 HD3 ARG 8 30.804 15.390 27.627
65 HD3 ARG 8 HD2 ARG 8 32.058 16.498 26.955
66 HE ARG 8 HE ARG 8 31.644 18.007 28.714
67 HH11 ARG 8 HH21 ARG 8 28.890 15.661 28.791
68 HH12 ARG 8 HH22 ARG 8 28.016 16.721 29.889
69 HH21 ARG 8 HH11 ARG 8 30.435 19.028 30.464
70 HH22 ARG 8 HH12 ARG 8 28.774 18.540 30.638
71 H TYR 9 H TYR 9 27.680 20.084 23.402
72 HA TYR 9 HA TYR 9 25.908 20.613 25.632
73 HB2 TYR 9 HB3 TYR 9 26.854 22.125 23.562
74 HB3 TYR 9 HB2 TYR 9 25.231 21.785 22.894
75 HD1 TYR 9 HD1 TYR 9 23.272 22.067 24.676
76 HD2 TYR 9 HD2 TYR 9 27.148 23.778 25.078
77 HE1 TYR 9 HE1 TYR 9 22.392 23.707 26.277
78 HE2 TYR 9 HE2 TYR 9 26.256 25.454 26.603
79 HH TYR 9 HH TYR 9 22.811 25.597 27.419
80 H ARG 10 H ARG 10 25.166 19.864 22.264
81 HA ARG 10 HA ARG 10 24.575 17.402 22.448
82 HB2 ARG 10 HB3 ARG 10 22.423 16.766 22.247
83 HB3 ARG 10 HB2 ARG 10 22.829 17.343 23.854
84 HG2 ARG 10 HG3 ARG 10 20.872 18.468 23.820
85 HG3 ARG 10 HG2 ARG 10 21.742 19.682 22.859
86 HD2 ARG 10 HD3 ARG 10 19.541 19.145 21.854
87 HD3 ARG 10 HD2 ARG 10 20.840 18.560 20.733
88 HE ARG 10 HE ARG 10 20.325 16.335 22.359
89 HH11 ARG 10 HH21 ARG 10 18.290 18.364 20.193
90 HH12 ARG 10 HH22 ARG 10 17.449 16.995 19.579
91 HH21 ARG 10 HH11 ARG 10 19.051 14.601 21.653
92 HH22 ARG 10 HH12 ARG 10 17.796 14.876 20.505
93 H CYS 11 H CYS 11 24.128 16.653 20.302
94 HA CYS 11 HA CYS 11 24.466 18.490 18.247
95 HB2 CYS 11 HB3 CYS 11 23.408 15.623 17.960
96 HB3 CYS 11 HB2 CYS 11 24.420 16.541 16.791
97 H CYS 12 H CYS 12 22.895 19.709 17.077
98 HA CYS 12 HA CYS 12 20.306 19.613 18.090
99 HB2 CYS 12 HB3 CYS 12 21.247 21.024 15.563
100 HB3 CYS 12 HB2 CYS 12 19.723 21.317 16.441
101 H SER 13 H SER 13 21.059 19.130 14.572
102 HA SER 13 HA SER 13 18.904 17.147 14.541
103 HB2 SER 13 HB3 SER 13 18.772 19.338 13.167
104 HB3 SER 13 HB2 SER 13 20.067 18.660 12.149
105 HG SER 13 HG SER 13 18.682 17.261 11.373
106 H GLY 14 H GLY 14 21.740 16.799 15.365
107 HA2 GLY 14 HA3 GLY 14 23.233 15.090 15.125
108 HA3 GLY 14 HA2 GLY 14 22.432 14.595 13.592
109 H GLY 15 H GLY 15 23.966 17.652 14.781
110 HA2 GLY 15 HA3 GLY 15 26.005 17.693 12.850
111 HA3 GLY 15 HA2 GLY 15 24.485 18.494 12.264
112 H CYS 16 H CYS 16 27.019 18.468 14.685
113 HA CYS 16 HA CYS 16 26.168 20.827 16.008
114 HB2 CYS 16 HB3 CYS 16 28.887 19.454 15.826
115 HB3 CYS 16 HB2 CYS 16 28.515 20.787 16.980
116 H SER 17 H SER 17 27.213 22.886 16.101
117 HA SER 17 HA SER 17 27.861 23.852 13.445
118 HB2 SER 17 HB3 SER 17 26.115 24.826 15.188
119 HB3 SER 17 HB2 SER 17 27.543 25.449 16.059
120 HG SER 17 HG SER 17 26.911 27.008 14.658
121 H SER 18 H SER 18 29.098 23.433 16.692
122 HA SER 18 HA SER 18 31.501 24.926 16.227
123 HB2 SER 18 HB3 SER 18 30.242 24.623 18.455
124 HB3 SER 18 HB2 SER 18 30.948 22.976 18.524
125 HG SER 18 HG SER 18 32.000 25.008 19.478
126 H GLY 19 H GLY 19 30.763 21.435 16.773
127 HA2 GLY 19 HA3 GLY 19 32.770 20.819 14.788
128 HA3 GLY 19 HA2 GLY 19 33.030 20.218 16.471
129 H LYS 20 H LYS 20 31.481 18.433 17.313
130 HA LYS 20 HA LYS 20 30.698 16.934 15.055
131 HB2 LYS 20 HB3 LYS 20 32.885 15.558 15.066
132 HB3 LYS 20 HB2 LYS 20 33.033 17.206 14.412
133 HG2 LYS 20 HG3 LYS 20 33.857 17.997 16.715
134 HG3 LYS 20 HG2 LYS 20 33.904 16.282 17.210
135 HD2 LYS 20 HD3 LYS 20 35.540 15.804 15.387
136 HD3 LYS 20 HD2 LYS 20 35.418 17.514 14.842
137 HE2 LYS 20 HE3 LYS 20 36.247 18.290 17.115
138 HE3 LYS 20 HE2 LYS 20 36.444 16.563 17.608
139 HZ1 LYS 20 HZ1 LYS 20 38.496 17.608 16.763
140 HZ2 LYS 20 HZ2 LYS 20 37.776 17.764 15.216
141 HZ3 LYS 20 HZ3 LYS 20 38.028 16.254 15.882
142 H CYS 21 H CYS 21 29.134 16.556 16.293
143 HA CYS 21 HA CYS 21 28.528 15.622 18.588
144 HB2 CYS 21 HB3 CYS 21 27.202 15.622 16.325
145 HB3 CYS 21 HB2 CYS 21 27.843 13.997 16.022
146 H VAL 22 H VAL 22 29.285 14.371 20.114
147 HA VAL 22 HA VAL 22 31.171 12.481 19.472
148 HB VAL 22 HB VAL 22 31.141 13.831 21.491
149 HG11 VAL 22 HG11 VAL 22 30.247 13.023 23.556
150 HG12 VAL 22 HG12 VAL 22 29.539 11.567 22.808
151 HG13 VAL 22 HG13 VAL 22 28.846 13.210 22.450
152 HG21 VAL 22 HG21 VAL 22 31.670 10.791 21.728
153 HG22 VAL 22 HG22 VAL 22 32.431 12.099 22.701
154 HG23 VAL 22 HG23 VAL 22 32.762 12.005 20.940
155 H ASN 23 H ASN 23 28.258 11.619 21.311
156 HA ASN 23 HA ASN 23 27.446 9.969 19.038
157 HB2 ASN 23 HB3 ASN 23 27.425 9.128 22.005
158 HB3 ASN 23 HB2 ASN 23 26.386 8.331 20.759
159 HD21 ASN 23 HD21 ASN 23 29.360 7.963 22.316
160 HD22 ASN 23 HD22 ASN 23 30.105 6.981 21.078
161 H GLY 24 H GLY 24 26.803 12.305 21.491
162 HA2 GLY 24 HA3 GLY 24 24.300 12.869 20.178
163 HA3 GLY 24 HA2 GLY 24 24.242 12.343 21.909
164 H ALA 25 H ALA 25 27.129 14.011 21.586
165 HA ALA 25 HA ALA 25 26.002 16.604 21.678
166 HB1 ALA 25 HB1 ALA 25 25.763 15.863 24.109
167 HB2 ALA 25 HB2 ALA 25 26.952 17.196 23.871
168 HB3 ALA 25 HB3 ALA 25 27.524 15.490 24.134
169 H CYS 26 H CYS 26 27.366 18.045 21.053
170 HA CYS 26 HA CYS 26 29.338 17.350 19.320
171 HB2 CYS 26 HB3 CYS 26 29.113 19.987 20.872
172 HB3 CYS 26 HB2 CYS 26 29.744 19.807 19.202
173 H ASP 27 H ASP 27 31.240 16.564 19.339
174 HA ASP 27 HA ASP 27 32.700 16.586 21.747
175 HB2 ASP 27 HB3 ASP 27 32.454 14.545 20.127
176 HB3 ASP 27 HB2 ASP 27 33.680 15.356 19.110
177 H CYS 28 H CYS 28 32.963 18.701 21.841
178 HA CYS 28 HA CYS 28 35.060 19.942 20.316
179 HB2 CYS 28 HB3 CYS 28 33.911 20.875 22.986
180 HB3 CYS 28 HB2 CYS 28 35.080 21.794 21.983
181 H SER 29 H SER 29 34.881 17.886 22.986
182 HA SER 29 HA SER 29 36.624 17.950 24.676
183 HB2 SER 29 HB3 SER 29 35.325 15.925 23.865
184 HB3 SER 29 HB2 SER 29 36.693 15.535 22.798
185 HG SER 29 HG SER 29 37.956 15.250 24.567
Start of MODEL 4
1 H1 LYS 1 H1 LYS 1 16.966 23.858 30.875
2 H2 LYS 1 H2 LYS 1 18.627 23.658 30.624
3 H3 LYS 1 H3 LYS 1 17.542 22.418 30.241
4 HA LYS 1 HA LYS 1 16.484 23.804 28.602
5 HB2 LYS 1 HB3 LYS 1 17.014 25.926 29.859
6 HB3 LYS 1 HB2 LYS 1 18.690 25.827 29.274
7 HG2 LYS 1 HG3 LYS 1 17.431 27.435 27.995
8 HG3 LYS 1 HG2 LYS 1 17.839 26.089 26.897
9 HD2 LYS 1 HD3 LYS 1 15.526 25.212 27.047
10 HD3 LYS 1 HD2 LYS 1 15.176 26.323 28.410
11 HE2 LYS 1 HE3 LYS 1 15.513 28.295 26.822
12 HE3 LYS 1 HE2 LYS 1 15.650 27.113 25.458
13 HZ1 LYS 1 HZ1 LYS 1 13.435 26.352 25.930
14 HZ2 LYS 1 HZ2 LYS 1 13.422 28.013 25.760
15 HZ3 LYS 1 HZ3 LYS 1 13.322 27.322 27.314
16 HA PRO 2 HA PRO 2 19.868 22.291 26.004
17 HB2 PRO 2 HB3 PRO 2 17.475 22.073 24.110
18 HB3 PRO 2 HB2 PRO 2 18.869 20.938 24.313
19 HG2 PRO 2 HG3 PRO 2 16.421 20.332 25.416
20 HG3 PRO 2 HG2 PRO 2 17.923 20.103 26.411
21 HD2 PRO 2 HD3 PRO 2 16.019 22.521 26.443
22 HD3 PRO 2 HD2 PRO 2 16.677 21.553 27.846
23 H LYS 3 H LYS 3 20.938 23.155 24.368
24 HA LYS 3 HA LYS 3 19.673 25.383 22.904
25 HB2 LYS 3 HB3 LYS 3 21.322 26.240 24.661
26 HB3 LYS 3 HB2 LYS 3 22.600 25.330 23.812
27 HG2 LYS 3 HG3 LYS 3 22.771 27.607 23.089
28 HG3 LYS 3 HG2 LYS 3 22.152 26.657 21.720
29 HD2 LYS 3 HD3 LYS 3 20.825 28.599 21.657
30 HD3 LYS 3 HD2 LYS 3 19.769 27.422 22.459
31 HE2 LYS 3 HE3 LYS 3 19.479 29.350 23.797
32 HE3 LYS 3 HE2 LYS 3 20.738 28.451 24.734
33 HZ1 LYS 3 HZ1 LYS 3 21.639 30.545 24.569
34 HZ2 LYS 3 HZ2 LYS 3 20.939 30.859 23.088
35 HZ3 LYS 3 HZ3 LYS 3 22.303 29.868 23.147
36 H CYS 4 H CYS 4 21.936 22.760 23.034
37 HA CYS 4 HA CYS 4 23.267 21.798 21.597
38 HB2 CYS 4 HB3 CYS 4 22.080 20.514 19.954
39 HB3 CYS 4 HB2 CYS 4 20.888 20.917 21.218
40 H GLY 5 H GLY 5 24.172 21.205 19.679
41 HA2 GLY 5 HA3 GLY 5 25.028 21.605 17.650
42 HA3 GLY 5 HA2 GLY 5 24.459 23.312 17.718
43 H LEU 6 H LEU 6 25.941 22.862 20.686
44 HA LEU 6 HA LEU 6 27.946 24.503 19.540
45 HB2 LEU 6 HB3 LEU 6 26.833 24.292 22.373
46 HB3 LEU 6 HB2 LEU 6 28.157 25.431 21.890
47 HG LEU 6 HG LEU 6 25.380 25.314 20.643
48 HD11 LEU 6 HD11 LEU 6 26.437 27.115 22.914
49 HD12 LEU 6 HD12 LEU 6 25.107 25.899 23.021
50 HD13 LEU 6 HD13 LEU 6 24.890 27.391 22.030
51 HD21 LEU 6 HD21 LEU 6 27.052 26.445 19.160
52 HD22 LEU 6 HD22 LEU 6 27.593 27.477 20.538
53 HD23 LEU 6 HD23 LEU 6 25.937 27.667 19.871
54 H CYS 7 H CYS 7 28.402 23.497 22.640
55 HA CYS 7 HA CYS 7 30.060 21.116 22.009
56 HB2 CYS 7 HB3 CYS 7 31.214 23.624 23.401
57 HB3 CYS 7 HB2 CYS 7 31.872 21.967 23.601
58 H ARG 8 H ARG 8 30.105 19.650 23.208
59 HA ARG 8 HA ARG 8 29.431 18.218 24.694
60 HB2 ARG 8 HB3 ARG 8 31.118 19.425 26.027
61 HB3 ARG 8 HB2 ARG 8 29.848 20.470 26.715
62 HG2 ARG 8 HG3 ARG 8 28.901 18.635 27.975
63 HG3 ARG 8 HG2 ARG 8 29.719 17.413 26.951
64 HD2 ARG 8 HD3 ARG 8 30.847 17.526 29.156
65 HD3 ARG 8 HD2 ARG 8 31.942 18.118 27.838
66 HE ARG 8 HE ARG 8 30.325 20.258 29.109
67 HH11 ARG 8 HH21 ARG 8 33.469 18.493 29.234
68 HH12 ARG 8 HH22 ARG 8 34.171 19.686 30.286
69 HH21 ARG 8 HH11 ARG 8 31.418 21.847 30.353
70 HH22 ARG 8 HH12 ARG 8 33.048 21.610 30.824
71 H TYR 9 H TYR 9 27.619 20.131 23.323
72 HA TYR 9 HA TYR 9 25.782 20.777 25.491
73 HB2 TYR 9 HB3 TYR 9 26.786 22.213 23.358
74 HB3 TYR 9 HB2 TYR 9 25.124 21.910 22.789
75 HD1 TYR 9 HD1 TYR 9 23.379 22.142 24.875
76 HD2 TYR 9 HD2 TYR 9 27.105 24.128 24.534
77 HE1 TYR 9 HE1 TYR 9 22.527 23.965 26.281
78 HE2 TYR 9 HE2 TYR 9 26.247 25.987 25.871
79 HH TYR 9 HH TYR 9 22.956 25.995 27.181
80 H ARG 10 H ARG 10 25.188 19.784 22.111
81 HA ARG 10 HA ARG 10 24.536 17.421 22.574
82 HB2 ARG 10 HB3 ARG 10 22.635 16.641 22.294
83 HB3 ARG 10 HB2 ARG 10 22.493 17.635 23.764
84 HG2 ARG 10 HG3 ARG 10 20.975 19.188 22.654
85 HG3 ARG 10 HG2 ARG 10 21.569 18.705 21.033
86 HD2 ARG 10 HD3 ARG 10 20.535 16.400 21.376
87 HD3 ARG 10 HD2 ARG 10 19.643 17.084 22.793
88 HE ARG 10 HE ARG 10 19.428 17.868 19.890
89 HH11 ARG 10 HH21 ARG 10 18.066 18.401 23.150
90 HH12 ARG 10 HH22 ARG 10 17.073 19.676 22.610
91 HH21 ARG 10 HH11 ARG 10 17.900 19.522 19.245
92 HH22 ARG 10 HH12 ARG 10 17.190 20.452 20.510
93 H CYS 11 H CYS 11 24.272 16.528 20.276
94 HA CYS 11 HA CYS 11 24.588 18.124 18.143
95 HB2 CYS 11 HB3 CYS 11 22.898 15.583 17.984
96 HB3 CYS 11 HB2 CYS 11 24.115 16.186 16.822
97 H CYS 12 H CYS 12 23.170 19.482 16.823
98 HA CYS 12 HA CYS 12 20.394 19.473 17.630
99 HB2 CYS 12 HB3 CYS 12 21.759 21.059 15.419
100 HB3 CYS 12 HB2 CYS 12 20.039 21.185 15.913
101 H SER 13 H SER 13 21.570 19.445 14.232
102 HA SER 13 HA SER 13 19.349 17.702 13.631
103 HB2 SER 13 HB3 SER 13 19.926 19.878 12.407
104 HB3 SER 13 HB2 SER 13 21.380 19.046 11.774
105 HG SER 13 HG SER 13 18.655 18.352 11.408
106 H GLY 14 H GLY 14 22.222 17.079 14.793
107 HA2 GLY 14 HA3 GLY 14 23.600 15.219 14.681
108 HA3 GLY 14 HA2 GLY 14 22.766 14.698 13.175
109 H GLY 15 H GLY 15 24.482 17.680 14.240
110 HA2 GLY 15 HA3 GLY 15 26.664 17.507 12.585
111 HA3 GLY 15 HA2 GLY 15 25.295 18.272 11.669
112 H CYS 16 H CYS 16 27.364 18.522 14.527
113 HA CYS 16 HA CYS 16 26.190 20.840 15.587
114 HB2 CYS 16 HB3 CYS 16 29.018 19.715 15.920
115 HB3 CYS 16 HB2 CYS 16 28.267 20.946 16.986
116 H SER 17 H SER 17 26.944 22.987 15.710
117 HA SER 17 HA SER 17 28.065 23.934 13.250
118 HB2 SER 17 HB3 SER 17 27.211 25.411 15.802
119 HB3 SER 17 HB2 SER 17 27.713 26.201 14.266
120 HG SER 17 HG SER 17 25.510 26.064 14.356
121 H SER 18 H SER 18 29.085 23.337 16.541
122 HA SER 18 HA SER 18 31.600 24.775 16.021
123 HB2 SER 18 HB3 SER 18 30.225 25.309 18.080
124 HB3 SER 18 HB2 SER 18 30.706 23.715 18.736
125 HG SER 18 HG SER 18 32.886 24.400 18.522
126 H GLY 19 H GLY 19 30.721 21.690 17.795
127 HA2 GLY 19 HA3 GLY 19 33.450 20.867 17.175
128 HA3 GLY 19 HA2 GLY 19 32.354 20.256 18.444
129 H LYS 20 H LYS 20 31.200 18.429 18.028
130 HA LYS 20 HA LYS 20 30.602 17.406 15.624
131 HB2 LYS 20 HB3 LYS 20 33.185 17.326 15.180
132 HB3 LYS 20 HB2 LYS 20 33.307 16.252 16.583
133 HG2 LYS 20 HG3 LYS 20 31.392 14.897 15.087
134 HG3 LYS 20 HG2 LYS 20 32.280 15.727 13.782
135 HD2 LYS 20 HD3 LYS 20 34.351 14.577 14.406
136 HD3 LYS 20 HD2 LYS 20 33.709 14.171 16.020
137 HE2 LYS 20 HE3 LYS 20 33.781 12.155 14.538
138 HE3 LYS 20 HE2 LYS 20 32.119 12.563 15.125
139 HZ1 LYS 20 HZ1 LYS 20 33.194 13.213 12.398
140 HZ2 LYS 20 HZ2 LYS 20 31.691 13.640 12.995
141 HZ3 LYS 20 HZ3 LYS 20 32.068 12.034 12.790
142 H CYS 21 H CYS 21 28.977 16.792 16.598
143 HA CYS 21 HA CYS 21 28.270 15.624 18.747
144 HB2 CYS 21 HB3 CYS 21 26.893 16.015 16.578
145 HB3 CYS 21 HB2 CYS 21 27.695 14.611 15.854
146 H VAL 22 H VAL 22 29.062 14.274 20.094
147 HA VAL 22 HA VAL 22 30.698 12.320 19.113
148 HB VAL 22 HB VAL 22 31.169 13.703 21.021
149 HG11 VAL 22 HG11 VAL 22 30.756 13.053 23.244
150 HG12 VAL 22 HG12 VAL 22 29.900 11.557 22.790
151 HG13 VAL 22 HG13 VAL 22 29.146 13.189 22.482
152 HG21 VAL 22 HG21 VAL 22 31.693 10.663 21.209
153 HG22 VAL 22 HG22 VAL 22 32.694 11.983 21.921
154 HG23 VAL 22 HG23 VAL 22 32.567 11.823 20.133
155 H ASN 23 H ASN 23 28.380 11.419 21.698
156 HA ASN 23 HA ASN 23 27.268 9.419 19.850
157 HB2 ASN 23 HB3 ASN 23 28.274 8.689 22.143
158 HB3 ASN 23 HB2 ASN 23 26.874 9.499 22.903
159 HD21 ASN 23 HD21 ASN 23 24.618 8.710 21.927
160 HD22 ASN 23 HD22 ASN 23 24.524 7.018 21.550
161 H GLY 24 H GLY 24 26.751 12.313 21.804
162 HA2 GLY 24 HA3 GLY 24 24.208 12.763 20.581
163 HA3 GLY 24 HA2 GLY 24 24.106 12.156 22.277
164 H ALA 25 H ALA 25 26.863 14.152 21.324
165 HA ALA 25 HA ALA 25 25.855 16.584 21.738
166 HB1 ALA 25 HB1 ALA 25 27.322 15.484 24.244
167 HB2 ALA 25 HB2 ALA 25 25.597 15.997 24.230
168 HB3 ALA 25 HB3 ALA 25 26.894 17.215 23.943
169 H CYS 26 H CYS 26 27.210 18.026 21.211
170 HA CYS 26 HA CYS 26 29.122 17.160 19.544
171 HB2 CYS 26 HB3 CYS 26 28.893 19.947 20.794
172 HB3 CYS 26 HB2 CYS 26 29.635 19.641 19.183
173 H ASP 27 H ASP 27 30.983 16.413 19.566
174 HA ASP 27 HA ASP 27 32.737 16.577 21.648
175 HB2 ASP 27 HB3 ASP 27 32.495 14.619 19.944
176 HB3 ASP 27 HB2 ASP 27 33.428 15.625 18.812
177 H CYS 28 H CYS 28 32.930 18.505 21.876
178 HA CYS 28 HA CYS 28 34.332 20.408 20.441
179 HB2 CYS 28 HB3 CYS 28 33.066 20.430 22.866
180 HB3 CYS 28 HB2 CYS 28 34.726 20.464 23.481
181 H SER 29 H SER 29 35.161 17.835 22.405
182 HA SER 29 HA SER 29 37.268 17.957 23.592
183 HB2 SER 29 HB3 SER 29 35.756 15.963 22.984
184 HB3 SER 29 HB2 SER 29 37.012 15.497 21.798
185 HG SER 29 HG SER 29 38.423 15.214 23.521
Start of MODEL 5
1 H1 LYS 1 H1 LYS 1 15.651 26.666 29.272
2 H2 LYS 1 H2 LYS 1 17.283 27.034 29.431
3 H3 LYS 1 H3 LYS 1 16.803 25.445 29.434
4 HA LYS 1 HA LYS 1 15.876 25.867 27.118
5 HB2 LYS 1 HB3 LYS 1 16.071 28.339 27.277
6 HB3 LYS 1 HB2 LYS 1 17.850 28.191 27.387
7 HG2 LYS 1 HG3 LYS 1 17.771 27.070 25.057
8 HG3 LYS 1 HG2 LYS 1 16.043 27.539 24.979
9 HD2 LYS 1 HD3 LYS 1 16.714 29.949 25.235
10 HD3 LYS 1 HD2 LYS 1 18.395 29.446 25.540
11 HE2 LYS 1 HE3 LYS 1 18.353 30.248 23.290
12 HE3 LYS 1 HE2 LYS 1 18.512 28.451 23.187
13 HZ1 LYS 1 HZ1 LYS 1 16.898 29.300 21.625
14 HZ2 LYS 1 HZ2 LYS 1 16.001 30.028 22.863
15 HZ3 LYS 1 HZ3 LYS 1 16.106 28.345 22.728
16 HA PRO 2 HA PRO 2 19.861 23.787 26.413
17 HB2 PRO 2 HB3 PRO 2 19.032 21.957 24.561
18 HB3 PRO 2 HB2 PRO 2 18.787 21.712 26.340
19 HG2 PRO 2 HG3 PRO 2 16.753 22.780 24.309
20 HG3 PRO 2 HG2 PRO 2 16.491 21.503 25.571
21 HD2 PRO 2 HD3 PRO 2 15.795 24.167 25.921
22 HD3 PRO 2 HD2 PRO 2 16.382 23.148 27.318
23 H LYS 3 H LYS 3 21.256 24.740 25.167
24 HA LYS 3 HA LYS 3 20.347 26.301 22.935
25 HB2 LYS 3 HB3 LYS 3 22.339 26.689 24.630
26 HB3 LYS 3 HB2 LYS 3 23.289 25.729 23.470
27 HG2 LYS 3 HG3 LYS 3 21.650 28.286 22.895
28 HG3 LYS 3 HG2 LYS 3 23.398 28.217 23.235
29 HD2 LYS 3 HD3 LYS 3 23.810 26.936 21.133
30 HD3 LYS 3 HD2 LYS 3 22.063 26.885 20.804
31 HE2 LYS 3 HE3 LYS 3 23.113 28.604 19.406
32 HE3 LYS 3 HE2 LYS 3 21.927 29.327 20.563
33 HZ1 LYS 3 HZ1 LYS 3 23.889 29.894 21.999
34 HZ2 LYS 3 HZ2 LYS 3 23.832 30.664 20.529
35 HZ3 LYS 3 HZ3 LYS 3 24.923 29.438 20.750
36 H CYS 4 H CYS 4 22.155 23.385 23.473
37 HA CYS 4 HA CYS 4 23.121 21.853 22.181
38 HB2 CYS 4 HB3 CYS 4 21.776 20.554 20.776
39 HB3 CYS 4 HB2 CYS 4 20.767 21.136 22.121
40 H GLY 5 H GLY 5 23.890 20.951 20.219
41 HA2 GLY 5 HA3 GLY 5 24.925 21.138 18.268
42 HA3 GLY 5 HA2 GLY 5 24.294 22.812 18.085
43 H LEU 6 H LEU 6 25.792 22.710 21.073
44 HA LEU 6 HA LEU 6 27.920 24.216 19.882
45 HB2 LEU 6 HB3 LEU 6 26.988 24.058 22.789
46 HB3 LEU 6 HB2 LEU 6 28.334 25.090 22.173
47 HG LEU 6 HG LEU 6 25.416 25.191 21.316
48 HD11 LEU 6 HD11 LEU 6 25.804 26.019 23.661
49 HD12 LEU 6 HD12 LEU 6 25.491 27.437 22.584
50 HD13 LEU 6 HD13 LEU 6 27.170 27.045 23.088
51 HD21 LEU 6 HD21 LEU 6 26.845 25.933 19.417
52 HD22 LEU 6 HD22 LEU 6 27.751 27.042 20.515
53 HD23 LEU 6 HD23 LEU 6 26.006 27.331 20.157
54 H CYS 7 H CYS 7 28.443 23.077 23.003
55 HA CYS 7 HA CYS 7 30.068 20.770 22.192
56 HB2 CYS 7 HB3 CYS 7 31.094 22.967 24.131
57 HB3 CYS 7 HB2 CYS 7 31.952 21.466 23.643
58 H ARG 8 H ARG 8 29.991 19.185 23.413
59 HA ARG 8 HA ARG 8 29.374 17.786 24.977
60 HB2 ARG 8 HB3 ARG 8 30.717 19.441 26.425
61 HB3 ARG 8 HB2 ARG 8 29.152 20.114 26.930
62 HG2 ARG 8 HG3 ARG 8 29.833 18.657 28.665
63 HG3 ARG 8 HG2 ARG 8 28.484 17.853 27.841
64 HD2 ARG 8 HD3 ARG 8 30.213 16.205 28.409
65 HD3 ARG 8 HD2 ARG 8 30.203 16.377 26.602
66 HE ARG 8 HE ARG 8 32.001 18.345 27.799
67 HH11 ARG 8 HH21 ARG 8 31.996 14.746 27.666
68 HH12 ARG 8 HH22 ARG 8 33.737 14.758 27.686
69 HH21 ARG 8 HH11 ARG 8 34.186 18.179 27.678
70 HH22 ARG 8 HH12 ARG 8 34.946 16.592 27.722
71 H TYR 9 H TYR 9 27.414 19.714 23.454
72 HA TYR 9 HA TYR 9 25.471 19.987 25.615
73 HB2 TYR 9 HB3 TYR 9 26.466 21.810 23.989
74 HB3 TYR 9 HB2 TYR 9 25.076 21.383 22.945
75 HD1 TYR 9 HD1 TYR 9 22.858 20.915 24.708
76 HD2 TYR 9 HD2 TYR 9 26.079 23.665 25.196
77 HE1 TYR 9 HE1 TYR 9 21.493 22.251 26.197
78 HE2 TYR 9 HE2 TYR 9 24.686 25.045 26.625
79 HH TYR 9 HH TYR 9 22.652 25.310 27.567
80 H ARG 10 H ARG 10 25.041 19.433 22.154
81 HA ARG 10 HA ARG 10 24.634 16.901 22.364
82 HB2 ARG 10 HB3 ARG 10 22.609 16.097 21.828
83 HB3 ARG 10 HB2 ARG 10 22.551 16.856 23.424
84 HG2 ARG 10 HG3 ARG 10 21.361 18.849 22.465
85 HG3 ARG 10 HG2 ARG 10 21.452 18.137 20.811
86 HD2 ARG 10 HD3 ARG 10 20.093 16.185 21.550
87 HD3 ARG 10 HD2 ARG 10 19.980 16.852 23.221
88 HE ARG 10 HE ARG 10 18.596 17.796 20.764
89 HH11 ARG 10 HH11 ARG 10 19.410 18.735 24.168
90 HH12 ARG 10 HH12 ARG 10 17.799 19.366 24.398
91 HH21 ARG 10 HH21 ARG 10 16.709 19.040 21.106
92 HH22 ARG 10 HH22 ARG 10 16.320 19.561 22.711
93 H CYS 11 H CYS 11 24.428 15.964 20.144
94 HA CYS 11 HA CYS 11 24.785 17.744 18.008
95 HB2 CYS 11 HB3 CYS 11 23.794 14.863 17.669
96 HB3 CYS 11 HB2 CYS 11 24.851 15.824 16.605
97 H CYS 12 H CYS 12 23.007 19.104 17.318
98 HA CYS 12 HA CYS 12 20.538 18.205 18.408
99 HB2 CYS 12 HB3 CYS 12 21.655 20.663 18.097
100 HB3 CYS 12 HB2 CYS 12 20.436 20.697 16.791
101 H SER 13 H SER 13 21.371 19.101 15.020
102 HA SER 13 HA SER 13 19.306 17.183 14.186
103 HB2 SER 13 HB3 SER 13 19.312 19.500 13.176
104 HB3 SER 13 HB2 SER 13 20.906 19.126 12.449
105 HG SER 13 HG SER 13 19.798 17.245 11.547
106 H GLY 14 H GLY 14 22.119 16.673 15.375
107 HA2 GLY 14 HA3 GLY 14 23.490 14.886 15.087
108 HA3 GLY 14 HA2 GLY 14 22.701 14.541 13.524
109 H GLY 15 H GLY 15 24.222 17.602 14.514
110 HA2 GLY 15 HA3 GLY 15 26.423 17.530 12.781
111 HA3 GLY 15 HA2 GLY 15 24.912 18.154 11.984
112 H CYS 16 H CYS 16 27.280 18.621 14.382
113 HA CYS 16 HA CYS 16 26.155 20.598 15.968
114 HB2 CYS 16 HB3 CYS 16 29.096 20.049 15.345
115 HB3 CYS 16 HB2 CYS 16 28.488 20.920 16.796
116 H SER 17 H SER 17 26.711 22.796 16.315
117 HA SER 17 HA SER 17 27.290 24.325 13.920
118 HB2 SER 17 HB3 SER 17 25.475 25.065 15.467
119 HB3 SER 17 HB2 SER 17 26.662 25.208 16.798
120 HG SER 17 HG SER 17 27.558 26.916 15.796
121 H SER 18 H SER 18 28.610 23.536 17.163
122 HA SER 18 HA SER 18 30.970 25.134 16.509
123 HB2 SER 18 HB3 SER 18 30.306 23.833 19.179
124 HB3 SER 18 HB2 SER 18 31.673 24.932 18.798
125 HG SER 18 HG SER 18 30.075 26.119 19.663
126 H GLY 19 H GLY 19 30.514 21.844 18.069
127 HA2 GLY 19 HA3 GLY 19 33.214 21.326 17.111
128 HA3 GLY 19 HA2 GLY 19 32.277 20.468 18.367
129 H LYS 20 H LYS 20 31.477 18.524 17.910
130 HA LYS 20 HA LYS 20 30.876 17.641 15.375
131 HB2 LYS 20 HB3 LYS 20 33.434 17.999 14.991
132 HB3 LYS 20 HB2 LYS 20 33.703 16.791 16.262
133 HG2 LYS 20 HG3 LYS 20 32.155 15.204 14.768
134 HG3 LYS 20 HG2 LYS 20 32.319 16.477 13.524
135 HD2 LYS 20 HD3 LYS 20 33.959 14.827 13.045
136 HD3 LYS 20 HD2 LYS 20 34.864 16.217 13.737
137 HE2 LYS 20 HE3 LYS 20 34.956 14.982 15.977
138 HE3 LYS 20 HE2 LYS 20 34.022 13.624 15.230
139 HZ1 LYS 20 HZ1 LYS 20 36.258 13.024 15.043
140 HZ2 LYS 20 HZ2 LYS 20 36.737 14.588 14.561
141 HZ3 LYS 20 HZ3 LYS 20 35.876 13.615 13.503
142 H CYS 21 H CYS 21 29.401 16.673 16.285
143 HA CYS 21 HA CYS 21 28.741 15.397 18.371
144 HB2 CYS 21 HB3 CYS 21 27.573 15.507 16.050
145 HB3 CYS 21 HB2 CYS 21 28.498 14.066 15.584
146 H VAL 22 H VAL 22 29.407 13.992 19.841
147 HA VAL 22 HA VAL 22 31.444 12.202 19.128
148 HB VAL 22 HB VAL 22 31.117 13.347 21.341
149 HG11 VAL 22 HG11 VAL 22 28.773 12.590 21.887
150 HG12 VAL 22 HG12 VAL 22 29.986 12.091 23.110
151 HG13 VAL 22 HG13 VAL 22 29.366 10.879 21.952
152 HG21 VAL 22 HG21 VAL 22 32.333 11.487 22.460
153 HG22 VAL 22 HG22 VAL 22 32.893 11.679 20.763
154 HG23 VAL 22 HG23 VAL 22 31.783 10.326 21.205
155 H ASN 23 H ASN 23 28.099 12.129 19.598
156 HA ASN 23 HA ASN 23 27.211 10.470 17.843
157 HB2 ASN 23 HB3 ASN 23 28.435 8.512 19.106
158 HB3 ASN 23 HB2 ASN 23 27.269 8.775 20.437
159 HD21 ASN 23 HD21 ASN 23 27.308 8.491 16.792
160 HD22 ASN 23 HD22 ASN 23 25.858 7.511 16.708
161 H GLY 24 H GLY 24 27.143 11.506 21.168
162 HA2 GLY 24 HA3 GLY 24 24.219 11.900 21.052
163 HA3 GLY 24 HA2 GLY 24 25.247 11.675 22.505
164 H ALA 25 H ALA 25 27.383 13.600 21.595
165 HA ALA 25 HA ALA 25 26.050 16.100 21.531
166 HB1 ALA 25 HB1 ALA 25 27.549 15.150 24.064
167 HB2 ALA 25 HB2 ALA 25 25.780 15.469 23.982
168 HB3 ALA 25 HB3 ALA 25 26.945 16.826 23.739
169 H CYS 26 H CYS 26 27.382 17.667 21.038
170 HA CYS 26 HA CYS 26 29.421 16.957 19.342
171 HB2 CYS 26 HB3 CYS 26 28.820 19.614 20.683
172 HB3 CYS 26 HB2 CYS 26 29.813 19.482 19.187
173 H ASP 27 H ASP 27 31.347 16.324 19.479
174 HA ASP 27 HA ASP 27 32.873 16.751 21.849
175 HB2 ASP 27 HB3 ASP 27 32.464 14.474 20.531
176 HB3 ASP 27 HB2 ASP 27 33.741 15.057 19.426
177 H CYS 28 H CYS 28 33.116 18.811 21.616
178 HA CYS 28 HA CYS 28 34.789 20.006 19.629
179 HB2 CYS 28 HB3 CYS 28 34.030 20.940 22.458
180 HB3 CYS 28 HB2 CYS 28 34.903 21.959 21.267
181 H SER 29 H SER 29 35.204 18.243 22.541
182 HA SER 29 HA SER 29 37.477 18.948 23.586
183 HB2 SER 29 HB3 SER 29 35.955 17.180 24.415
184 HB3 SER 29 HB2 SER 29 36.540 16.074 23.136
185 HG SER 29 HG SER 29 38.646 16.373 24.090
Start of MODEL 6
1 H1 LYS 1 H1 LYS 1 15.133 23.257 26.940
2 H2 LYS 1 H2 LYS 1 15.901 24.565 26.190
3 H3 LYS 1 H3 LYS 1 15.125 24.794 27.635
4 HA LYS 1 HA LYS 1 17.180 24.748 28.364
5 HB2 LYS 1 HB3 LYS 1 16.707 21.734 28.441
6 HB3 LYS 1 HB2 LYS 1 17.673 22.716 29.564
7 HG2 LYS 1 HG3 LYS 1 14.614 22.927 29.200
8 HG3 LYS 1 HG2 LYS 1 15.455 21.927 30.405
9 HD2 LYS 1 HD3 LYS 1 16.459 23.900 31.472
10 HD3 LYS 1 HD2 LYS 1 15.729 24.985 30.245
11 HE2 LYS 1 HE3 LYS 1 13.442 24.309 30.944
12 HE3 LYS 1 HE2 LYS 1 14.125 23.188 32.192
13 HZ1 LYS 1 HZ1 LYS 1 14.694 26.111 32.119
14 HZ2 LYS 1 HZ2 LYS 1 15.008 25.049 33.372
15 HZ3 LYS 1 HZ3 LYS 1 13.404 25.411 32.978
16 HA PRO 2 HA PRO 2 20.262 22.661 25.776
17 HB2 PRO 2 HB3 PRO 2 18.858 21.544 23.339
18 HB3 PRO 2 HB2 PRO 2 20.243 20.880 24.296
19 HG2 PRO 2 HG3 PRO 2 17.680 19.817 24.536
20 HG3 PRO 2 HG2 PRO 2 18.708 20.064 26.014
21 HD2 PRO 2 HD3 PRO 2 16.604 22.012 24.863
22 HD3 PRO 2 HD2 PRO 2 16.699 21.298 26.535
23 H LYS 3 H LYS 3 21.373 24.295 24.857
24 HA LYS 3 HA LYS 3 20.135 25.908 22.805
25 HB2 LYS 3 HB3 LYS 3 21.955 26.432 24.747
26 HB3 LYS 3 HB2 LYS 3 23.083 26.141 23.400
27 HG2 LYS 3 HG3 LYS 3 20.789 28.187 23.619
28 HG3 LYS 3 HG2 LYS 3 22.540 28.509 23.665
29 HD2 LYS 3 HD3 LYS 3 22.684 27.730 21.216
30 HD3 LYS 3 HD2 LYS 3 20.906 27.544 21.241
31 HE2 LYS 3 HE3 LYS 3 21.230 29.683 20.262
32 HE3 LYS 3 HE2 LYS 3 20.762 30.036 21.978
33 HZ1 LYS 3 HZ1 LYS 3 23.410 30.146 20.678
34 HZ2 LYS 3 HZ2 LYS 3 23.314 30.103 22.356
35 HZ3 LYS 3 HZ3 LYS 3 22.583 31.373 21.496
36 H CYS 4 H CYS 4 22.604 23.460 23.142
37 HA CYS 4 HA CYS 4 23.501 22.004 21.869
38 HB2 CYS 4 HB3 CYS 4 22.178 20.723 20.354
39 HB3 CYS 4 HB2 CYS 4 21.163 21.310 21.702
40 H GLY 5 H GLY 5 24.390 21.114 20.005
41 HA2 GLY 5 HA3 GLY 5 25.554 21.230 18.109
42 HA3 GLY 5 HA2 GLY 5 24.907 22.882 17.834
43 H LEU 6 H LEU 6 26.280 22.730 20.900
44 HA LEU 6 HA LEU 6 28.415 24.357 19.834
45 HB2 LEU 6 HB3 LEU 6 27.088 24.252 22.582
46 HB3 LEU 6 HB2 LEU 6 28.437 25.373 22.144
47 HG LEU 6 HG LEU 6 25.800 25.219 20.629
48 HD11 LEU 6 HD11 LEU 6 26.486 26.982 23.054
49 HD12 LEU 6 HD12 LEU 6 25.177 25.749 22.923
50 HD13 LEU 6 HD13 LEU 6 25.081 27.261 21.951
51 HD21 LEU 6 HD21 LEU 6 27.652 26.395 19.400
52 HD22 LEU 6 HD22 LEU 6 27.931 27.461 20.823
53 HD23 LEU 6 HD23 LEU 6 26.381 27.559 19.907
54 H CYS 7 H CYS 7 28.684 23.383 23.056
55 HA CYS 7 HA CYS 7 30.339 21.055 22.372
56 HB2 CYS 7 HB3 CYS 7 31.441 23.216 24.280
57 HB3 CYS 7 HB2 CYS 7 32.252 21.711 23.757
58 H ARG 8 H ARG 8 30.251 19.492 23.448
59 HA ARG 8 HA ARG 8 29.527 17.962 24.738
60 HB2 ARG 8 HB3 ARG 8 31.239 18.977 26.241
61 HB3 ARG 8 HB2 ARG 8 29.928 19.836 27.100
62 HG2 ARG 8 HG3 ARG 8 28.915 17.680 27.759
63 HG3 ARG 8 HG2 ARG 8 30.065 16.770 26.723
64 HD2 ARG 8 HD3 ARG 8 31.941 17.322 28.181
65 HD3 ARG 8 HD2 ARG 8 30.917 18.461 29.172
66 HE ARG 8 HE ARG 8 29.595 15.902 29.036
67 HH11 ARG 8 HH11 ARG 8 32.789 16.961 30.291
68 HH12 ARG 8 HH12 ARG 8 32.589 15.984 31.738
69 HH21 ARG 8 HH21 ARG 8 29.422 14.766 31.091
70 HH22 ARG 8 HH22 ARG 8 30.787 14.836 32.160
71 H TYR 9 H TYR 9 27.729 19.940 23.581
72 HA TYR 9 HA TYR 9 25.926 20.551 25.741
73 HB2 TYR 9 HB3 TYR 9 26.842 22.029 23.761
74 HB3 TYR 9 HB2 TYR 9 25.406 21.483 22.858
75 HD1 TYR 9 HD1 TYR 9 23.285 21.428 24.949
76 HD2 TYR 9 HD2 TYR 9 26.599 24.068 24.530
77 HE1 TYR 9 HE1 TYR 9 22.172 23.084 26.345
78 HE2 TYR 9 HE2 TYR 9 25.424 25.767 25.788
79 HH TYR 9 HH TYR 9 23.596 26.257 26.998
80 H ARG 10 H ARG 10 25.148 19.635 22.415
81 HA ARG 10 HA ARG 10 24.615 17.152 22.728
82 HB2 ARG 10 HB3 ARG 10 22.497 16.511 22.551
83 HB3 ARG 10 HB2 ARG 10 22.645 17.441 24.063
84 HG2 ARG 10 HG3 ARG 10 21.664 19.455 22.659
85 HG3 ARG 10 HG2 ARG 10 21.148 18.190 21.490
86 HD2 ARG 10 HD3 ARG 10 20.346 18.491 24.458
87 HD3 ARG 10 HD2 ARG 10 19.305 18.712 22.997
88 HE ARG 10 HE ARG 10 20.575 16.054 23.777
89 HH11 ARG 10 HH21 ARG 10 17.579 17.826 22.840
90 HH12 ARG 10 HH22 ARG 10 16.612 16.458 23.154
91 HH21 ARG 10 HH11 ARG 10 19.138 14.361 24.338
92 HH22 ARG 10 HH12 ARG 10 17.449 14.629 24.202
93 H CYS 11 H CYS 11 23.969 16.527 20.318
94 HA CYS 11 HA CYS 11 24.525 18.653 18.509
95 HB2 CYS 11 HB3 CYS 11 23.429 15.985 17.587
96 HB3 CYS 11 HB2 CYS 11 24.687 17.017 16.845
97 H CYS 12 H CYS 12 22.901 19.760 17.134
98 HA CYS 12 HA CYS 12 20.399 19.716 18.433
99 HB2 CYS 12 HB3 CYS 12 21.175 21.088 15.830
100 HB3 CYS 12 HB2 CYS 12 19.634 21.323 16.693
101 H SER 13 H SER 13 21.032 18.979 14.978
102 HA SER 13 HA SER 13 18.748 17.127 15.060
103 HB2 SER 13 HB3 SER 13 18.615 19.280 13.624
104 HB3 SER 13 HB2 SER 13 19.877 18.556 12.586
105 HG SER 13 HG SER 13 18.401 16.809 12.240
106 H GLY 14 H GLY 14 22.013 17.285 15.133
107 HA2 GLY 14 HA3 GLY 14 23.350 15.359 15.008
108 HA3 GLY 14 HA2 GLY 14 22.352 14.754 13.649
109 H GLY 15 H GLY 15 24.198 17.777 14.400
110 HA2 GLY 15 HA3 GLY 15 26.220 17.438 12.649
111 HA3 GLY 15 HA2 GLY 15 24.850 18.160 11.699
112 H CYS 16 H CYS 16 27.158 18.629 14.299
113 HA CYS 16 HA CYS 16 26.119 20.920 15.444
114 HB2 CYS 16 HB3 CYS 16 29.012 19.967 15.176
115 HB3 CYS 16 HB2 CYS 16 28.499 21.298 16.253
116 H SER 17 H SER 17 26.915 23.055 15.535
117 HA SER 17 HA SER 17 28.133 24.158 13.145
118 HB2 SER 17 HB3 SER 17 26.316 25.369 14.361
119 HB3 SER 17 HB2 SER 17 27.311 25.389 15.838
120 HG SER 17 HG SER 17 27.505 26.881 13.500
121 H SER 18 H SER 18 28.932 23.543 16.589
122 HA SER 18 HA SER 18 31.377 25.029 16.187
123 HB2 SER 18 HB3 SER 18 29.833 25.467 18.124
124 HB3 SER 18 HB2 SER 18 30.289 23.857 18.774
125 HG SER 18 HG SER 18 31.925 26.114 18.276
126 H GLY 19 H GLY 19 30.653 21.824 17.728
127 HA2 GLY 19 HA3 GLY 19 33.504 21.218 17.369
128 HA3 GLY 19 HA2 GLY 19 32.329 20.462 18.481
129 H LYS 20 H LYS 20 31.376 18.589 17.931
130 HA LYS 20 HA LYS 20 30.953 17.625 15.450
131 HB2 LYS 20 HB3 LYS 20 33.471 17.559 15.136
132 HB3 LYS 20 HB2 LYS 20 33.609 16.616 16.651
133 HG2 LYS 20 HG3 LYS 20 32.288 14.746 15.581
134 HG3 LYS 20 HG2 LYS 20 32.160 15.718 14.073
135 HD2 LYS 20 HD3 LYS 20 34.637 15.729 13.868
136 HD3 LYS 20 HD2 LYS 20 34.789 14.852 15.424
137 HE2 LYS 20 HE3 LYS 20 33.614 12.863 14.446
138 HE3 LYS 20 HE2 LYS 20 33.438 13.739 12.869
139 HZ1 LYS 20 HZ1 LYS 20 35.828 13.858 12.710
140 HZ2 LYS 20 HZ2 LYS 20 35.381 12.242 12.985
141 HZ3 LYS 20 HZ3 LYS 20 36.024 13.143 14.238
142 H CYS 21 H CYS 21 29.230 16.947 16.272
143 HA CYS 21 HA CYS 21 28.413 15.731 18.455
144 HB2 CYS 21 HB3 CYS 21 27.138 16.252 16.278
145 HB3 CYS 21 HB2 CYS 21 27.822 14.776 15.573
146 H VAL 22 H VAL 22 29.125 14.131 19.686
147 HA VAL 22 HA VAL 22 30.619 12.073 18.416
148 HB VAL 22 HB VAL 22 31.395 13.199 20.240
149 HG11 VAL 22 HG11 VAL 22 29.267 13.105 21.787
150 HG12 VAL 22 HG12 VAL 22 30.902 12.882 22.499
151 HG13 VAL 22 HG13 VAL 22 29.865 11.456 22.231
152 HG21 VAL 22 HG21 VAL 22 32.482 11.180 21.244
153 HG22 VAL 22 HG22 VAL 22 32.344 11.041 19.457
154 HG23 VAL 22 HG23 VAL 22 31.225 10.119 20.530
155 H ASN 23 H ASN 23 28.823 10.951 21.086
156 HA ASN 23 HA ASN 23 27.273 9.124 19.362
157 HB2 ASN 23 HB3 ASN 23 27.788 9.077 22.402
158 HB3 ASN 23 HB2 ASN 23 26.905 7.824 21.463
159 HD21 ASN 23 HD21 ASN 23 29.943 8.599 22.761
160 HD22 ASN 23 HD22 ASN 23 30.863 7.459 21.805
161 H GLY 24 H GLY 24 27.056 11.907 21.433
162 HA2 GLY 24 HA3 GLY 24 24.384 12.392 20.826
163 HA3 GLY 24 HA2 GLY 24 24.494 11.553 22.423
164 H ALA 25 H ALA 25 26.800 13.897 21.003
165 HA ALA 25 HA ALA 25 25.828 16.194 21.836
166 HB1 ALA 25 HB1 ALA 25 26.043 15.576 24.295
167 HB2 ALA 25 HB2 ALA 25 27.302 16.777 23.874
168 HB3 ALA 25 HB3 ALA 25 27.731 15.026 23.997
169 H CYS 26 H CYS 26 27.086 17.836 21.305
170 HA CYS 26 HA CYS 26 29.063 17.267 19.451
171 HB2 CYS 26 HB3 CYS 26 27.383 19.339 19.951
172 HB3 CYS 26 HB2 CYS 26 28.800 19.979 20.851
173 H ASP 27 H ASP 27 30.985 16.604 19.613
174 HA ASP 27 HA ASP 27 32.457 17.157 22.033
175 HB2 ASP 27 HB3 ASP 27 31.850 14.817 21.268
176 HB3 ASP 27 HB2 ASP 27 33.035 15.003 19.909
177 H CYS 28 H CYS 28 32.930 19.106 21.603
178 HA CYS 28 HA CYS 28 34.695 20.024 19.598
179 HB2 CYS 28 HB3 CYS 28 34.240 21.076 22.457
180 HB3 CYS 28 HB2 CYS 28 35.160 21.941 21.188
181 H SER 29 H SER 29 34.995 18.431 22.600
182 HA SER 29 HA SER 29 37.141 18.695 23.789
183 HB2 SER 29 HB3 SER 29 35.460 16.835 24.017
184 HB3 SER 29 HB2 SER 29 36.320 15.954 22.720
185 HG SER 29 HG SER 29 37.225 15.153 24.392
Start of MODEL 7
1 H1 LYS 1 H1 LYS 1 17.321 26.441 29.082
2 H2 LYS 1 H2 LYS 1 18.897 25.970 28.795
3 H3 LYS 1 H3 LYS 1 18.047 25.370 30.131
4 HA LYS 1 HA LYS 1 17.376 23.657 29.065
5 HB2 LYS 1 HB3 LYS 1 16.280 25.531 26.899
6 HB3 LYS 1 HB2 LYS 1 15.704 23.888 27.263
7 HG2 LYS 1 HG3 LYS 1 14.976 24.674 29.555
8 HG3 LYS 1 HG2 LYS 1 15.352 26.350 29.066
9 HD2 LYS 1 HD3 LYS 1 13.351 24.422 27.752
10 HD3 LYS 1 HD2 LYS 1 12.962 25.839 28.764
11 HE2 LYS 1 HE3 LYS 1 14.191 25.867 25.919
12 HE3 LYS 1 HE2 LYS 1 12.533 26.361 26.428
13 HZ1 LYS 1 HZ1 LYS 1 13.598 28.056 27.832
14 HZ2 LYS 1 HZ2 LYS 1 13.838 28.307 26.191
15 HZ3 LYS 1 HZ3 LYS 1 15.101 27.728 27.127
16 HA PRO 2 HA PRO 2 20.155 22.495 25.948
17 HB2 PRO 2 HB3 PRO 2 17.753 21.334 24.430
18 HB3 PRO 2 HB2 PRO 2 19.426 20.631 24.568
19 HG2 PRO 2 HG3 PRO 2 17.444 19.755 26.264
20 HG3 PRO 2 HG2 PRO 2 19.063 20.193 26.964
21 HD2 PRO 2 HD3 PRO 2 16.501 21.872 26.904
22 HD3 PRO 2 HD2 PRO 2 17.720 21.667 28.243
23 H LYS 3 H LYS 3 21.208 23.743 24.652
24 HA LYS 3 HA LYS 3 19.766 25.352 22.674
25 HB2 LYS 3 HB3 LYS 3 21.335 26.386 24.368
26 HB3 LYS 3 HB2 LYS 3 22.672 25.492 23.595
27 HG2 LYS 3 HG3 LYS 3 22.689 27.780 22.844
28 HG3 LYS 3 HG2 LYS 3 22.261 26.749 21.454
29 HD2 LYS 3 HD3 LYS 3 19.842 27.394 21.760
30 HD3 LYS 3 HD2 LYS 3 20.295 28.395 23.177
31 HE2 LYS 3 HE3 LYS 3 21.764 29.818 21.675
32 HE3 LYS 3 HE2 LYS 3 21.276 28.791 20.273
33 HZ1 LYS 3 HZ1 LYS 3 19.543 30.632 21.856
34 HZ2 LYS 3 HZ2 LYS 3 18.924 29.471 20.798
35 HZ3 LYS 3 HZ3 LYS 3 19.960 30.671 20.236
36 H CYS 4 H CYS 4 22.036 22.745 22.888
37 HA CYS 4 HA CYS 4 23.253 21.623 21.543
38 HB2 CYS 4 HB3 CYS 4 22.158 20.467 19.799
39 HB3 CYS 4 HB2 CYS 4 20.881 20.964 20.934
40 H GLY 5 H GLY 5 24.390 21.027 19.748
41 HA2 GLY 5 HA3 GLY 5 25.592 21.370 17.911
42 HA3 GLY 5 HA2 GLY 5 24.868 23.005 17.739
43 H LEU 6 H LEU 6 26.057 22.783 20.870
44 HA LEU 6 HA LEU 6 28.185 24.518 20.027
45 HB2 LEU 6 HB3 LEU 6 26.822 24.103 22.734
46 HB3 LEU 6 HB2 LEU 6 28.143 25.297 22.424
47 HG LEU 6 HG LEU 6 25.487 25.249 20.955
48 HD11 LEU 6 HD11 LEU 6 24.810 27.145 22.498
49 HD12 LEU 6 HD12 LEU 6 26.291 26.858 23.471
50 HD13 LEU 6 HD13 LEU 6 25.010 25.576 23.366
51 HD21 LEU 6 HD21 LEU 6 26.028 27.617 20.377
52 HD22 LEU 6 HD22 LEU 6 27.349 26.533 19.822
53 HD23 LEU 6 HD23 LEU 6 27.564 27.522 21.319
54 H CYS 7 H CYS 7 28.478 23.389 23.127
55 HA CYS 7 HA CYS 7 30.213 21.131 22.399
56 HB2 CYS 7 HB3 CYS 7 31.285 23.422 24.169
57 HB3 CYS 7 HB2 CYS 7 32.124 21.883 23.746
58 H ARG 8 H ARG 8 30.125 19.546 23.470
59 HA ARG 8 HA ARG 8 29.267 18.060 24.768
60 HB2 ARG 8 HB3 ARG 8 31.085 19.093 26.227
61 HB3 ARG 8 HB2 ARG 8 29.786 19.836 27.185
62 HG2 ARG 8 HG3 ARG 8 29.509 16.872 26.618
63 HG3 ARG 8 HG2 ARG 8 30.971 17.308 27.529
64 HD2 ARG 8 HD3 ARG 8 28.091 17.983 28.408
65 HD3 ARG 8 HD2 ARG 8 29.106 16.614 29.021
66 HE ARG 8 HE ARG 8 30.784 18.752 29.435
67 HH11 ARG 8 HH21 ARG 8 27.407 18.051 30.456
68 HH12 ARG 8 HH22 ARG 8 27.555 18.996 31.886
69 HH21 ARG 8 HH11 ARG 8 30.772 20.231 31.219
70 HH22 ARG 8 HH12 ARG 8 29.392 20.284 32.274
71 H TYR 9 H TYR 9 27.577 20.064 23.596
72 HA TYR 9 HA TYR 9 25.639 20.670 25.718
73 HB2 TYR 9 HB3 TYR 9 26.396 21.914 23.155
74 HB3 TYR 9 HB2 TYR 9 24.620 21.687 23.241
75 HD1 TYR 9 HD2 TYR 9 27.497 23.199 25.055
76 HD2 TYR 9 HD1 TYR 9 23.286 22.985 24.571
77 HE1 TYR 9 HE2 TYR 9 27.237 25.162 26.476
78 HE2 TYR 9 HE1 TYR 9 23.009 24.881 26.084
79 HH TYR 9 HH TYR 9 25.758 26.627 27.453
80 H ARG 10 H ARG 10 25.153 19.659 22.345
81 HA ARG 10 HA ARG 10 24.625 17.172 22.777
82 HB2 ARG 10 HB3 ARG 10 22.524 16.521 22.369
83 HB3 ARG 10 HB2 ARG 10 22.581 17.394 23.912
84 HG2 ARG 10 HG3 ARG 10 21.499 19.400 22.784
85 HG3 ARG 10 HG2 ARG 10 21.380 18.461 21.263
86 HD2 ARG 10 HD3 ARG 10 19.940 16.751 22.362
87 HD3 ARG 10 HD2 ARG 10 20.131 17.617 23.951
88 HE ARG 10 HE ARG 10 19.018 19.220 21.669
89 HH11 ARG 10 HH21 ARG 10 17.924 16.718 23.917
90 HH12 ARG 10 HH22 ARG 10 16.453 17.562 24.272
91 HH21 ARG 10 HH11 ARG 10 17.046 20.315 22.211
92 HH22 ARG 10 HH12 ARG 10 15.826 19.255 22.811
93 H CYS 11 H CYS 11 24.056 16.312 20.426
94 HA CYS 11 HA CYS 11 24.737 18.159 18.394
95 HB2 CYS 11 HB3 CYS 11 23.165 15.559 17.957
96 HB3 CYS 11 HB2 CYS 11 24.242 16.392 16.812
97 H CYS 12 H CYS 12 23.217 19.302 16.904
98 HA CYS 12 HA CYS 12 20.587 19.506 17.932
99 HB2 CYS 12 HB3 CYS 12 21.789 20.475 15.310
100 HB3 CYS 12 HB2 CYS 12 20.145 20.871 15.890
101 H SER 13 H SER 13 21.101 18.543 14.501
102 HA SER 13 HA SER 13 19.269 16.315 15.051
103 HB2 SER 13 HB3 SER 13 18.657 18.204 13.357
104 HB3 SER 13 HB2 SER 13 19.879 17.463 12.289
105 HG SER 13 HG SER 13 17.375 16.734 12.874
106 H GLY 14 H GLY 14 22.470 17.073 14.566
107 HA2 GLY 14 HA3 GLY 14 23.992 15.105 14.537
108 HA3 GLY 14 HA2 GLY 14 23.058 14.582 13.089
109 H GLY 15 H GLY 15 24.411 17.686 14.277
110 HA2 GLY 15 HA3 GLY 15 26.146 18.149 12.137
111 HA3 GLY 15 HA2 GLY 15 24.489 18.817 11.822
112 H CYS 16 H CYS 16 27.243 18.847 14.085
113 HA CYS 16 HA CYS 16 26.230 21.008 15.600
114 HB2 CYS 16 HB3 CYS 16 29.090 20.004 15.126
115 HB3 CYS 16 HB2 CYS 16 28.692 21.302 16.283
116 H SER 17 H SER 17 27.249 23.094 15.838
117 HA SER 17 HA SER 17 28.294 24.228 13.326
118 HB2 SER 17 HB3 SER 17 27.078 25.516 15.825
119 HB3 SER 17 HB2 SER 17 27.817 26.427 14.448
120 HG SER 17 HG SER 17 25.585 24.661 14.349
121 H SER 18 H SER 18 29.011 23.633 16.820
122 HA SER 18 HA SER 18 31.493 25.075 16.421
123 HB2 SER 18 HB3 SER 18 30.075 25.262 18.530
124 HB3 SER 18 HB2 SER 18 30.717 23.662 19.002
125 HG SER 18 HG SER 18 32.796 24.557 18.938
126 H GLY 19 H GLY 19 30.776 21.793 17.817
127 HA2 GLY 19 HA3 GLY 19 33.504 21.103 16.981
128 HA3 GLY 19 HA2 GLY 19 32.527 20.392 18.304
129 H LYS 20 H LYS 20 31.495 18.479 17.900
130 HA LYS 20 HA LYS 20 31.000 17.484 15.381
131 HB2 LYS 20 HB3 LYS 20 33.736 16.738 16.587
132 HB3 LYS 20 HB2 LYS 20 32.840 15.594 15.560
133 HG2 LYS 20 HG3 LYS 20 33.848 16.369 13.816
134 HG3 LYS 20 HG2 LYS 20 32.832 17.830 13.924
135 HD2 LYS 20 HD3 LYS 20 34.650 18.960 15.264
136 HD3 LYS 20 HD2 LYS 20 35.592 17.430 15.239
137 HE2 LYS 20 HE3 LYS 20 35.646 17.540 12.703
138 HE3 LYS 20 HE2 LYS 20 34.860 19.163 12.776
139 HZ1 LYS 20 HZ1 LYS 20 36.789 20.051 13.845
140 HZ2 LYS 20 HZ2 LYS 20 37.378 19.019 12.634
141 HZ3 LYS 20 HZ3 LYS 20 37.379 18.535 14.235
142 H CYS 21 H CYS 21 29.256 16.968 16.281
143 HA CYS 21 HA CYS 21 28.355 15.750 18.405
144 HB2 CYS 21 HB3 CYS 21 27.095 16.366 16.293
145 HB3 CYS 21 HB2 CYS 21 27.893 15.034 15.433
146 H VAL 22 H VAL 22 29.007 14.127 19.652
147 HA VAL 22 HA VAL 22 30.253 11.912 18.343
148 HB VAL 22 HB VAL 22 31.273 13.125 20.056
149 HG11 VAL 22 HG11 VAL 22 29.909 11.393 22.172
150 HG12 VAL 22 HG12 VAL 22 29.317 13.061 21.810
151 HG13 VAL 22 HG13 VAL 22 31.008 12.796 22.348
152 HG21 VAL 22 HG21 VAL 22 31.056 10.050 20.342
153 HG22 VAL 22 HG22 VAL 22 32.424 11.067 20.908
154 HG23 VAL 22 HG23 VAL 22 32.076 10.956 19.150
155 H ASN 23 H ASN 23 28.509 11.024 21.218
156 HA ASN 23 HA ASN 23 26.954 9.189 19.542
157 HB2 ASN 23 HB3 ASN 23 27.347 9.299 22.593
158 HB3 ASN 23 HB2 ASN 23 26.395 8.049 21.703
159 HD21 ASN 23 HD21 ASN 23 29.082 8.057 23.304
160 HD22 ASN 23 HD22 ASN 23 30.170 7.191 22.249
161 H GLY 24 H GLY 24 26.649 12.087 21.289
162 HA2 GLY 24 HA3 GLY 24 24.211 12.698 20.137
163 HA3 GLY 24 HA2 GLY 24 23.892 12.054 21.797
164 H ALA 25 H ALA 25 26.956 13.752 21.297
165 HA ALA 25 HA ALA 25 25.871 16.268 21.833
166 HB1 ALA 25 HB1 ALA 25 25.890 15.386 24.229
167 HB2 ALA 25 HB2 ALA 25 27.083 16.705 23.980
168 HB3 ALA 25 HB3 ALA 25 27.624 14.972 24.033
169 H CYS 26 H CYS 26 27.128 17.832 21.337
170 HA CYS 26 HA CYS 26 29.063 17.246 19.445
171 HB2 CYS 26 HB3 CYS 26 27.421 19.323 19.909
172 HB3 CYS 26 HB2 CYS 26 28.808 19.953 20.864
173 H ASP 27 H ASP 27 30.939 16.535 19.576
174 HA ASP 27 HA ASP 27 32.516 17.011 21.915
175 HB2 ASP 27 HB3 ASP 27 32.050 14.689 21.075
176 HB3 ASP 27 HB2 ASP 27 33.086 15.049 19.626
177 H CYS 28 H CYS 28 32.870 19.010 21.610
178 HA CYS 28 HA CYS 28 34.638 20.077 19.661
179 HB2 CYS 28 HB3 CYS 28 33.986 21.095 22.491
180 HB3 CYS 28 HB2 CYS 28 34.864 22.018 21.226
181 H SER 29 H SER 29 34.880 18.447 22.651
182 HA SER 29 HA SER 29 36.930 18.877 23.987
183 HB2 SER 29 HB3 SER 29 35.422 16.970 24.272
184 HB3 SER 29 HB2 SER 29 36.207 16.117 22.911
185 HG SER 29 HG SER 29 37.991 15.881 24.071
Start of MODEL 8
1 H1 LYS 1 H1 LYS 1 15.893 21.846 28.037
2 H2 LYS 1 H2 LYS 1 15.371 22.920 29.202
3 H3 LYS 1 H3 LYS 1 17.011 22.548 29.093
4 HA LYS 1 HA LYS 1 15.432 23.830 26.951
5 HB2 LYS 1 HB3 LYS 1 17.459 25.191 28.803
6 HB3 LYS 1 HB2 LYS 1 16.620 25.938 27.417
7 HG2 LYS 1 HG3 LYS 1 14.396 25.444 28.644
8 HG3 LYS 1 HG2 LYS 1 15.407 24.994 30.060
9 HD2 LYS 1 HD3 LYS 1 16.565 27.319 29.719
10 HD3 LYS 1 HD2 LYS 1 15.249 27.694 28.580
11 HE2 LYS 1 HE3 LYS 1 14.697 28.691 30.722
12 HE3 LYS 1 HE2 LYS 1 13.571 27.288 30.510
13 HZ1 LYS 1 HZ1 LYS 1 16.153 27.148 32.014
14 HZ2 LYS 1 HZ2 LYS 1 14.924 25.996 31.976
15 HZ3 LYS 1 HZ3 LYS 1 14.663 27.438 32.749
16 HA PRO 2 HA PRO 2 19.383 22.553 25.092
17 HB2 PRO 2 HB3 PRO 2 18.739 22.612 22.449
18 HB3 PRO 2 HB2 PRO 2 17.975 21.400 23.547
19 HG2 PRO 2 HG3 PRO 2 16.798 24.094 22.682
20 HG3 PRO 2 HG2 PRO 2 16.005 22.460 22.588
21 HD2 PRO 2 HD3 PRO 2 15.681 24.272 24.724
22 HD3 PRO 2 HD2 PRO 2 15.604 22.463 24.952
23 H LYS 3 H LYS 3 20.635 23.410 23.238
24 HA LYS 3 HA LYS 3 20.363 26.074 22.421
25 HB2 LYS 3 HB3 LYS 3 21.438 26.354 24.759
26 HB3 LYS 3 HB2 LYS 3 22.894 25.541 24.120
27 HG2 LYS 3 HG3 LYS 3 23.236 27.379 22.479
28 HG3 LYS 3 HG2 LYS 3 21.594 28.005 22.810
29 HD2 LYS 3 HD3 LYS 3 22.283 28.344 25.241
30 HD3 LYS 3 HD2 LYS 3 23.986 28.061 24.740
31 HE2 LYS 3 HE3 LYS 3 23.837 30.035 23.176
32 HE3 LYS 3 HE2 LYS 3 22.090 30.242 23.593
33 HZ1 LYS 3 HZ1 LYS 3 22.764 30.535 25.911
34 HZ2 LYS 3 HZ2 LYS 3 23.387 31.732 24.895
35 HZ3 LYS 3 HZ3 LYS 3 24.393 30.490 25.470
36 H CYS 4 H CYS 4 22.411 23.382 23.126
37 HA CYS 4 HA CYS 4 23.619 21.980 21.991
38 HB2 CYS 4 HB3 CYS 4 22.397 20.711 20.330
39 HB3 CYS 4 HB2 CYS 4 21.308 21.275 21.619
40 H GLY 5 H GLY 5 24.618 21.015 20.229
41 HA2 GLY 5 HA3 GLY 5 25.932 21.060 18.412
42 HA3 GLY 5 HA2 GLY 5 25.330 22.712 18.025
43 H LEU 6 H LEU 6 26.427 22.705 21.232
44 HA LEU 6 HA LEU 6 28.469 24.447 20.266
45 HB2 LEU 6 HB3 LEU 6 27.326 23.948 23.071
46 HB3 LEU 6 HB2 LEU 6 28.613 25.156 22.699
47 HG LEU 6 HG LEU 6 25.838 25.135 21.444
48 HD11 LEU 6 HD11 LEU 6 25.612 25.532 23.884
49 HD12 LEU 6 HD12 LEU 6 25.418 27.106 23.021
50 HD13 LEU 6 HD13 LEU 6 26.969 26.726 23.849
51 HD21 LEU 6 HD21 LEU 6 27.482 26.352 20.036
52 HD22 LEU 6 HD22 LEU 6 28.082 27.262 21.479
53 HD23 LEU 6 HD23 LEU 6 26.414 27.536 20.870
54 H CYS 7 H CYS 7 28.976 23.253 23.329
55 HA CYS 7 HA CYS 7 30.557 20.942 22.504
56 HB2 CYS 7 HB3 CYS 7 31.815 22.986 24.444
57 HB3 CYS 7 HB2 CYS 7 32.550 21.473 23.818
58 H ARG 8 H ARG 8 30.461 19.360 23.685
59 HA ARG 8 HA ARG 8 29.910 17.931 25.189
60 HB2 ARG 8 HB3 ARG 8 31.311 19.312 26.669
61 HB3 ARG 8 HB2 ARG 8 29.888 20.205 27.231
62 HG2 ARG 8 HG3 ARG 8 29.974 17.150 27.462
63 HG3 ARG 8 HG2 ARG 8 31.005 18.128 28.536
64 HD2 ARG 8 HD3 ARG 8 27.936 18.470 28.430
65 HD3 ARG 8 HD2 ARG 8 28.825 17.437 29.587
66 HE ARG 8 HE ARG 8 29.130 20.458 29.304
67 HH11 ARG 8 HH21 ARG 8 29.921 17.579 31.285
68 HH12 ARG 8 HH22 ARG 8 30.000 18.505 32.736
69 HH21 ARG 8 HH11 ARG 8 29.108 21.578 31.258
70 HH22 ARG 8 HH12 ARG 8 29.617 20.803 32.720
71 H TYR 9 H TYR 9 27.933 20.038 23.833
72 HA TYR 9 HA TYR 9 26.136 20.348 26.031
73 HB2 TYR 9 HB3 TYR 9 26.818 22.116 24.348
74 HB3 TYR 9 HB2 TYR 9 25.655 21.431 23.181
75 HD1 TYR 9 HD2 TYR 9 23.203 20.974 24.356
76 HD2 TYR 9 HD1 TYR 9 26.113 23.791 25.673
77 HE1 TYR 9 HE2 TYR 9 21.483 22.192 25.553
78 HE2 TYR 9 HE1 TYR 9 24.369 25.047 26.824
79 HH TYR 9 HH TYR 9 22.152 25.228 27.243
80 H ARG 10 H ARG 10 25.188 19.608 22.702
81 HA ARG 10 HA ARG 10 24.623 17.087 22.992
82 HB2 ARG 10 HB3 ARG 10 22.481 16.487 22.867
83 HB3 ARG 10 HB2 ARG 10 22.923 17.143 24.442
84 HG2 ARG 10 HG3 ARG 10 20.779 17.925 24.183
85 HG3 ARG 10 HG2 ARG 10 21.717 19.373 23.717
86 HD2 ARG 10 HD3 ARG 10 21.281 18.883 21.306
87 HD3 ARG 10 HD2 ARG 10 20.546 17.276 21.732
88 HE ARG 10 HE ARG 10 19.058 19.127 23.221
89 HH11 ARG 10 HH21 ARG 10 19.672 18.403 19.774
90 HH12 ARG 10 HH22 ARG 10 18.054 18.832 19.340
91 HH21 ARG 10 HH11 ARG 10 16.906 19.636 22.479
92 HH22 ARG 10 HH12 ARG 10 16.701 19.999 20.786
93 H CYS 11 H CYS 11 23.973 16.423 20.686
94 HA CYS 11 HA CYS 11 24.596 18.376 18.813
95 HB2 CYS 11 HB3 CYS 11 23.184 15.754 18.181
96 HB3 CYS 11 HB2 CYS 11 24.310 16.687 17.134
97 H CYS 12 H CYS 12 23.306 19.622 17.295
98 HA CYS 12 HA CYS 12 20.571 19.892 18.098
99 HB2 CYS 12 HB3 CYS 12 22.105 21.202 15.820
100 HB3 CYS 12 HB2 CYS 12 20.408 21.553 16.257
101 H SER 13 H SER 13 21.833 19.370 14.749
102 HA SER 13 HA SER 13 19.296 17.995 14.247
103 HB2 SER 13 HB3 SER 13 20.004 20.169 13.037
104 HB3 SER 13 HB2 SER 13 21.215 19.177 12.182
105 HG SER 13 HG SER 13 19.302 19.298 11.037
106 H GLY 14 H GLY 14 21.851 16.845 15.373
107 HA2 GLY 14 HA3 GLY 14 22.925 14.826 15.158
108 HA3 GLY 14 HA2 GLY 14 22.051 14.541 13.607
109 H GLY 15 H GLY 15 24.254 17.085 14.872
110 HA2 GLY 15 HA3 GLY 15 26.307 17.121 13.140
111 HA3 GLY 15 HA2 GLY 15 24.869 17.710 12.197
112 H CYS 16 H CYS 16 27.162 18.401 14.628
113 HA CYS 16 HA CYS 16 25.951 20.783 15.669
114 HB2 CYS 16 HB3 CYS 16 28.898 19.904 15.559
115 HB3 CYS 16 HB2 CYS 16 28.253 21.251 16.537
116 H SER 17 H SER 17 26.822 22.976 15.350
117 HA SER 17 HA SER 17 28.057 23.351 12.717
118 HB2 SER 17 HB3 SER 17 26.940 25.449 14.629
119 HB3 SER 17 HB2 SER 17 27.484 25.682 12.933
120 HG SER 17 HG SER 17 25.291 25.451 12.948
121 H SER 18 H SER 18 28.614 23.686 16.237
122 HA SER 18 HA SER 18 31.096 25.019 15.702
123 HB2 SER 18 HB3 SER 18 29.541 25.597 17.626
124 HB3 SER 18 HB2 SER 18 30.099 24.092 18.430
125 HG SER 18 HG SER 18 31.428 25.711 19.059
126 H GLY 19 H GLY 19 30.302 21.983 17.549
127 HA2 GLY 19 HA3 GLY 19 33.136 21.328 17.309
128 HA3 GLY 19 HA2 GLY 19 31.912 20.676 18.435
129 H LYS 20 H LYS 20 31.166 18.679 18.029
130 HA LYS 20 HA LYS 20 30.939 17.531 15.554
131 HB2 LYS 20 HB3 LYS 20 33.486 17.766 15.452
132 HB3 LYS 20 HB2 LYS 20 33.590 16.814 16.953
133 HG2 LYS 20 HG3 LYS 20 32.499 14.864 15.688
134 HG3 LYS 20 HG2 LYS 20 32.605 15.849 14.199
135 HD2 LYS 20 HD3 LYS 20 35.042 15.988 14.395
136 HD3 LYS 20 HD2 LYS 20 35.010 15.269 16.038
137 HE2 LYS 20 HE3 LYS 20 34.285 13.071 15.140
138 HE3 LYS 20 HE2 LYS 20 34.215 13.760 13.463
139 HZ1 LYS 20 HZ1 LYS 20 36.649 13.677 15.187
140 HZ2 LYS 20 HZ2 LYS 20 36.531 14.258 13.600
141 HZ3 LYS 20 HZ3 LYS 20 36.306 12.609 13.905
142 H CYS 21 H CYS 21 29.199 16.896 16.439
143 HA CYS 21 HA CYS 21 28.370 15.780 18.650
144 HB2 CYS 21 HB3 CYS 21 27.095 16.210 16.477
145 HB3 CYS 21 HB2 CYS 21 27.807 14.733 15.797
146 H VAL 22 H VAL 22 29.010 14.250 19.985
147 HA VAL 22 HA VAL 22 30.894 12.427 19.141
148 HB VAL 22 HB VAL 22 30.478 13.585 21.391
149 HG11 VAL 22 HG11 VAL 22 28.296 12.500 21.998
150 HG12 VAL 22 HG12 VAL 22 29.611 12.149 23.167
151 HG13 VAL 22 HG13 VAL 22 29.124 10.880 22.011
152 HG21 VAL 22 HG21 VAL 22 31.578 10.713 21.260
153 HG22 VAL 22 HG22 VAL 22 32.030 12.008 22.421
154 HG23 VAL 22 HG23 VAL 22 32.448 12.196 20.683
155 H ASN 23 H ASN 23 27.596 12.278 19.290
156 HA ASN 23 HA ASN 23 26.749 10.087 18.158
157 HB2 ASN 23 HB3 ASN 23 28.068 8.630 19.832
158 HB3 ASN 23 HB2 ASN 23 27.115 9.372 21.156
159 HD21 ASN 23 HD21 ASN 23 26.812 6.911 21.357
160 HD22 ASN 23 HD22 ASN 23 25.283 6.351 20.719
161 H GLY 24 H GLY 24 26.686 11.846 21.218
162 HA2 GLY 24 HA3 GLY 24 23.835 12.501 20.768
163 HA3 GLY 24 HA2 GLY 24 24.496 11.897 22.329
164 H ALA 25 H ALA 25 27.037 13.712 21.714
165 HA ALA 25 HA ALA 25 25.867 16.257 22.043
166 HB1 ALA 25 HB1 ALA 25 26.980 16.681 24.275
167 HB2 ALA 25 HB2 ALA 25 27.518 14.959 24.331
168 HB3 ALA 25 HB3 ALA 25 25.770 15.358 24.456
169 H CYS 26 H CYS 26 27.143 17.852 21.639
170 HA CYS 26 HA CYS 26 29.038 17.289 19.737
171 HB2 CYS 26 HB3 CYS 26 27.483 19.420 20.416
172 HB3 CYS 26 HB2 CYS 26 29.016 19.982 21.167
173 H ASP 27 H ASP 27 30.971 16.598 19.710
174 HA ASP 27 HA ASP 27 32.672 17.083 22.011
175 HB2 ASP 27 HB3 ASP 27 32.025 14.702 21.223
176 HB3 ASP 27 HB2 ASP 27 33.097 14.973 19.797
177 H CYS 28 H CYS 28 33.055 19.062 21.522
178 HA CYS 28 HA CYS 28 34.506 19.992 19.308
179 HB2 CYS 28 HB3 CYS 28 34.534 20.963 22.236
180 HB3 CYS 28 HB2 CYS 28 35.310 21.846 20.882
181 H SER 29 H SER 29 35.242 18.535 22.290
182 HA SER 29 HA SER 29 37.241 18.773 23.454
183 HB2 SER 29 HB3 SER 29 36.016 16.576 23.284
184 HB3 SER 29 HB2 SER 29 37.209 16.072 22.052
185 HG SER 29 HG SER 29 37.896 15.374 24.014
Start of MODEL 9
1 H1 LYS 1 H1 LYS 1 16.350 23.151 30.483
2 H2 LYS 1 H2 LYS 1 17.955 23.651 30.558
3 H3 LYS 1 H3 LYS 1 17.543 22.138 29.937
4 HA LYS 1 HA LYS 1 16.160 23.449 28.230
5 HB2 LYS 1 HB3 LYS 1 17.922 25.587 29.510
6 HB3 LYS 1 HB2 LYS 1 17.265 25.808 27.876
7 HG2 LYS 1 HG3 LYS 1 15.359 25.157 30.179
8 HG3 LYS 1 HG2 LYS 1 16.003 26.800 29.918
9 HD2 LYS 1 HD3 LYS 1 15.234 26.763 27.549
10 HD3 LYS 1 HD2 LYS 1 14.478 25.165 27.792
11 HE2 LYS 1 HE3 LYS 1 13.727 27.713 29.402
12 HE3 LYS 1 HE2 LYS 1 12.918 27.186 27.877
13 HZ1 LYS 1 HZ1 LYS 1 12.953 25.727 30.472
14 HZ2 LYS 1 HZ2 LYS 1 12.440 25.044 29.024
15 HZ3 LYS 1 HZ3 LYS 1 11.664 26.430 29.638
16 HA PRO 2 HA PRO 2 19.971 22.164 26.211
17 HB2 PRO 2 HB3 PRO 2 17.949 21.037 24.237
18 HB3 PRO 2 HB2 PRO 2 19.526 20.354 24.820
19 HG2 PRO 2 HG3 PRO 2 17.106 19.417 25.845
20 HG3 PRO 2 HG2 PRO 2 18.501 19.720 26.960
21 HD2 PRO 2 HD3 PRO 2 16.171 21.636 26.324
22 HD3 PRO 2 HD2 PRO 2 16.802 21.101 27.954
23 H LYS 3 H LYS 3 20.909 23.745 25.197
24 HA LYS 3 HA LYS 3 19.483 25.381 23.254
25 HB2 LYS 3 HB3 LYS 3 21.052 26.280 25.005
26 HB3 LYS 3 HB2 LYS 3 22.412 25.479 24.164
27 HG2 LYS 3 HG3 LYS 3 21.963 26.814 22.107
28 HG3 LYS 3 HG2 LYS 3 20.553 27.579 22.896
29 HD2 LYS 3 HD3 LYS 3 23.481 27.805 23.842
30 HD3 LYS 3 HD2 LYS 3 22.578 29.020 22.872
31 HE2 LYS 3 HE3 LYS 3 20.897 29.215 24.802
32 HE3 LYS 3 HE2 LYS 3 22.014 28.193 25.797
33 HZ1 LYS 3 HZ1 LYS 3 22.452 30.557 26.122
34 HZ2 LYS 3 HZ2 LYS 3 22.651 30.782 24.482
35 HZ3 LYS 3 HZ3 LYS 3 23.775 29.867 25.332
36 H CYS 4 H CYS 4 22.015 22.988 23.437
37 HA CYS 4 HA CYS 4 23.350 21.999 22.028
38 HB2 CYS 4 HB3 CYS 4 22.376 20.591 20.401
39 HB3 CYS 4 HB2 CYS 4 21.216 20.797 21.725
40 H GLY 5 H GLY 5 24.228 21.506 19.932
41 HA2 GLY 5 HA3 GLY 5 25.177 22.178 18.016
42 HA3 GLY 5 HA2 GLY 5 24.213 23.689 18.078
43 H LEU 6 H LEU 6 26.026 23.196 20.997
44 HA LEU 6 HA LEU 6 28.124 24.893 19.923
45 HB2 LEU 6 HB3 LEU 6 27.098 24.633 22.791
46 HB3 LEU 6 HB2 LEU 6 28.438 25.703 22.244
47 HG LEU 6 HG LEU 6 25.570 25.757 21.223
48 HD11 LEU 6 HD11 LEU 6 25.625 26.432 23.614
49 HD12 LEU 6 HD12 LEU 6 25.327 27.886 22.581
50 HD13 LEU 6 HD13 LEU 6 26.967 27.589 23.281
51 HD21 LEU 6 HD21 LEU 6 27.867 27.801 20.849
52 HD22 LEU 6 HD22 LEU 6 26.170 28.022 20.286
53 HD23 LEU 6 HD23 LEU 6 27.182 26.740 19.550
54 H CYS 7 H CYS 7 28.693 23.670 22.946
55 HA CYS 7 HA CYS 7 30.209 21.338 21.952
56 HB2 CYS 7 HB3 CYS 7 31.435 23.703 23.501
57 HB3 CYS 7 HB2 CYS 7 32.217 22.099 23.315
58 H ARG 8 H ARG 8 30.340 19.710 23.117
59 HA ARG 8 HA ARG 8 29.711 18.239 24.566
60 HB2 ARG 8 HB3 ARG 8 31.335 19.711 25.997
61 HB3 ARG 8 HB2 ARG 8 29.860 20.243 26.839
62 HG2 ARG 8 HG3 ARG 8 29.455 17.563 27.027
63 HG3 ARG 8 HG2 ARG 8 31.220 17.516 26.773
64 HD2 ARG 8 HD3 ARG 8 29.664 18.965 29.011
65 HD3 ARG 8 HD2 ARG 8 30.693 17.482 29.179
66 HE ARG 8 HE ARG 8 32.235 19.716 28.067
67 HH11 ARG 8 HH21 ARG 8 30.630 18.799 31.131
68 HH12 ARG 8 HH22 ARG 8 31.685 19.753 32.091
69 HH21 ARG 8 HH11 ARG 8 33.690 20.935 29.417
70 HH22 ARG 8 HH12 ARG 8 33.351 21.043 31.098
71 H TYR 9 H TYR 9 27.790 20.224 23.347
72 HA TYR 9 HA TYR 9 26.045 20.741 25.619
73 HB2 TYR 9 HB3 TYR 9 27.000 22.393 23.813
74 HB3 TYR 9 HB2 TYR 9 25.531 21.969 22.882
75 HD1 TYR 9 HD2 TYR 9 23.416 21.757 24.763
76 HD2 TYR 9 HD1 TYR 9 26.805 24.318 24.965
77 HE1 TYR 9 HE2 TYR 9 22.210 23.245 26.277
78 HE2 TYR 9 HE1 TYR 9 25.552 25.884 26.338
79 HH TYR 9 HH TYR 9 23.549 26.354 27.309
80 H ARG 10 H ARG 10 25.200 20.038 22.216
81 HA ARG 10 HA ARG 10 24.610 17.530 22.737
82 HB2 ARG 10 HB3 ARG 10 22.058 18.694 21.571
83 HB3 ARG 10 HB2 ARG 10 22.629 17.008 21.828
84 HG2 ARG 10 HG3 ARG 10 22.412 17.236 24.272
85 HG3 ARG 10 HG2 ARG 10 21.923 18.949 24.078
86 HD2 ARG 10 HD3 ARG 10 19.911 17.546 24.432
87 HD3 ARG 10 HD2 ARG 10 19.915 18.260 22.768
88 HE ARG 10 HE ARG 10 20.976 15.453 23.296
89 HH11 ARG 10 HH11 ARG 10 18.677 17.472 21.370
90 HH12 ARG 10 HH12 ARG 10 18.750 16.340 20.052
91 HH21 ARG 10 HH21 ARG 10 20.593 13.942 21.840
92 HH22 ARG 10 HH22 ARG 10 19.422 14.169 20.573
93 H CYS 11 H CYS 11 24.133 16.705 20.332
94 HA CYS 11 HA CYS 11 24.847 18.554 18.273
95 HB2 CYS 11 HB3 CYS 11 23.522 15.839 17.798
96 HB3 CYS 11 HB2 CYS 11 24.794 16.656 16.832
97 H CYS 12 H CYS 12 23.155 19.718 17.014
98 HA CYS 12 HA CYS 12 20.500 19.352 18.126
99 HB2 CYS 12 HB3 CYS 12 21.421 21.133 15.833
100 HB3 CYS 12 HB2 CYS 12 19.792 21.121 16.573
101 H SER 13 H SER 13 21.811 19.285 14.798
102 HA SER 13 HA SER 13 19.480 17.754 13.979
103 HB2 SER 13 HB3 SER 13 20.530 19.913 12.857
104 HB3 SER 13 HB2 SER 13 21.630 18.759 12.061
105 HG SER 13 HG SER 13 19.762 17.754 11.193
106 H GLY 14 H GLY 14 22.123 16.810 15.366
107 HA2 GLY 14 HA3 GLY 14 23.471 14.971 15.289
108 HA3 GLY 14 HA2 GLY 14 22.502 14.358 13.905
109 H GLY 15 H GLY 15 24.309 17.371 14.398
110 HA2 GLY 15 HA3 GLY 15 26.299 17.071 12.479
111 HA3 GLY 15 HA2 GLY 15 24.760 17.676 11.729
112 H CYS 16 H CYS 16 27.260 18.262 14.058
113 HA CYS 16 HA CYS 16 26.355 20.510 15.374
114 HB2 CYS 16 HB3 CYS 16 29.127 19.422 14.675
115 HB3 CYS 16 HB2 CYS 16 28.948 20.857 15.707
116 H SER 17 H SER 17 27.231 22.648 15.457
117 HA SER 17 HA SER 17 27.862 23.867 12.913
118 HB2 SER 17 HB3 SER 17 27.872 25.106 15.727
119 HB3 SER 17 HB2 SER 17 27.931 25.979 14.161
120 HG SER 17 HG SER 17 25.867 25.800 15.271
121 H SER 18 H SER 18 29.345 23.078 16.034
122 HA SER 18 HA SER 18 31.751 24.520 15.276
123 HB2 SER 18 HB3 SER 18 30.427 25.126 17.332
124 HB3 SER 18 HB2 SER 18 30.905 23.568 18.070
125 HG SER 18 HG SER 18 33.083 24.269 17.864
126 H GLY 19 H GLY 19 31.065 21.488 17.181
127 HA2 GLY 19 HA3 GLY 19 33.808 20.702 16.559
128 HA3 GLY 19 HA2 GLY 19 32.737 20.093 17.851
129 H LYS 20 H LYS 20 31.560 18.213 17.490
130 HA LYS 20 HA LYS 20 30.759 17.267 15.129
131 HB2 LYS 20 HB3 LYS 20 33.255 16.999 14.511
132 HB3 LYS 20 HB2 LYS 20 33.402 15.862 15.874
133 HG2 LYS 20 HG3 LYS 20 31.723 14.356 14.846
134 HG3 LYS 20 HG2 LYS 20 31.400 15.533 13.547
135 HD2 LYS 20 HD3 LYS 20 34.026 14.017 14.057
136 HD3 LYS 20 HD2 LYS 20 32.819 13.631 12.811
137 HE2 LYS 20 HE3 LYS 20 34.633 16.131 12.912
138 HE3 LYS 20 HE2 LYS 20 34.714 14.736 11.768
139 HZ1 LYS 20 HZ1 LYS 20 32.553 16.780 11.968
140 HZ2 LYS 20 HZ2 LYS 20 32.435 15.412 11.009
141 HZ3 LYS 20 HZ3 LYS 20 33.625 16.563 10.707
142 H CYS 21 H CYS 21 29.155 16.605 16.142
143 HA CYS 21 HA CYS 21 28.415 15.679 18.427
144 HB2 CYS 21 HB3 CYS 21 27.164 15.730 16.154
145 HB3 CYS 21 HB2 CYS 21 27.881 14.143 15.799
146 H VAL 22 H VAL 22 28.999 14.310 19.976
147 HA VAL 22 HA VAL 22 30.746 12.229 19.332
148 HB VAL 22 HB VAL 22 30.612 13.663 21.437
149 HG11 VAL 22 HG11 VAL 22 28.303 12.955 22.187
150 HG12 VAL 22 HG12 VAL 22 29.598 12.595 23.380
151 HG13 VAL 22 HG13 VAL 22 28.919 11.262 22.400
152 HG21 VAL 22 HG21 VAL 22 32.348 11.959 20.888
153 HG22 VAL 22 HG22 VAL 22 31.289 10.649 21.528
154 HG23 VAL 22 HG23 VAL 22 31.910 11.932 22.628
155 H ASN 23 H ASN 23 27.570 12.539 19.176
156 HA ASN 23 HA ASN 23 26.269 10.992 18.088
157 HB2 ASN 23 HB3 ASN 23 27.533 8.929 18.862
158 HB3 ASN 23 HB2 ASN 23 26.644 9.044 20.429
159 HD21 ASN 23 HD21 ASN 23 24.605 8.079 20.432
160 HD22 ASN 23 HD22 ASN 23 23.723 7.579 19.018
161 H GLY 24 H GLY 24 26.692 12.019 21.340
162 HA2 GLY 24 HA3 GLY 24 23.784 12.530 21.601
163 HA3 GLY 24 HA2 GLY 24 24.972 12.335 22.929
164 H ALA 25 H ALA 25 27.074 14.059 21.841
165 HA ALA 25 HA ALA 25 25.904 16.629 21.793
166 HB1 ALA 25 HB1 ALA 25 27.621 15.667 24.192
167 HB2 ALA 25 HB2 ALA 25 25.867 16.042 24.292
168 HB3 ALA 25 HB3 ALA 25 27.033 17.355 23.890
169 H CYS 26 H CYS 26 27.238 18.096 21.090
170 HA CYS 26 HA CYS 26 29.157 17.283 19.306
171 HB2 CYS 26 HB3 CYS 26 27.694 19.498 19.638
172 HB3 CYS 26 HB2 CYS 26 29.133 20.090 20.522
173 H ASP 27 H ASP 27 31.012 16.487 19.401
174 HA ASP 27 HA ASP 27 32.486 16.657 21.781
175 HB2 ASP 27 HB3 ASP 27 32.008 14.549 20.289
176 HB3 ASP 27 HB2 ASP 27 33.338 15.150 19.242
177 H CYS 28 H CYS 28 32.873 18.751 21.685
178 HA CYS 28 HA CYS 28 35.138 19.677 20.123
179 HB2 CYS 28 HB3 CYS 28 33.852 21.072 22.517
180 HB3 CYS 28 HB2 CYS 28 34.960 21.817 21.323
181 H SER 29 H SER 29 34.526 18.056 22.964
182 HA SER 29 HA SER 29 35.751 18.087 24.953
183 HB2 SER 29 HB3 SER 29 34.899 16.066 23.749
184 HB3 SER 29 HB2 SER 29 36.542 15.811 23.087
185 HG SER 29 HG SER 29 36.073 14.603 24.922
Start of MODEL 10
1 H1 LYS 1 H1 LYS 1 18.074 25.023 29.838
2 H2 LYS 1 H2 LYS 1 16.791 26.133 29.970
3 H3 LYS 1 H3 LYS 1 18.176 26.543 29.131
4 HA LYS 1 HA LYS 1 16.384 24.342 28.393
5 HB2 LYS 1 HB3 LYS 1 15.505 25.792 26.569
6 HB3 LYS 1 HB2 LYS 1 15.181 26.479 28.172
7 HG2 LYS 1 HG3 LYS 1 16.961 28.132 27.919
8 HG3 LYS 1 HG2 LYS 1 17.521 27.390 26.381
9 HD2 LYS 1 HD3 LYS 1 15.358 27.848 25.303
10 HD3 LYS 1 HD2 LYS 1 14.711 28.544 26.809
11 HE2 LYS 1 HE3 LYS 1 17.041 29.688 25.118
12 HE3 LYS 1 HE2 LYS 1 15.354 30.327 25.222
13 HZ1 LYS 1 HZ1 LYS 1 15.902 30.427 27.746
14 HZ2 LYS 1 HZ2 LYS 1 16.445 31.637 26.710
15 HZ3 LYS 1 HZ3 LYS 1 17.522 30.457 27.192
16 HA PRO 2 HA PRO 2 19.785 23.309 25.949
17 HB2 PRO 2 HB3 PRO 2 18.803 21.736 23.918
18 HB3 PRO 2 HB2 PRO 2 18.713 21.244 25.653
19 HG2 PRO 2 HG3 PRO 2 16.509 22.599 24.001
20 HG3 PRO 2 HG2 PRO 2 16.367 21.114 25.038
21 HD2 PRO 2 HD3 PRO 2 15.698 23.658 25.944
22 HD3 PRO 2 HD2 PRO 2 16.451 22.418 27.047
23 H LYS 3 H LYS 3 21.094 24.366 24.678
24 HA LYS 3 HA LYS 3 20.009 25.879 22.432
25 HB2 LYS 3 HB3 LYS 3 21.720 26.704 24.172
26 HB3 LYS 3 HB2 LYS 3 22.932 25.768 23.262
27 HG2 LYS 3 HG3 LYS 3 21.108 28.017 22.171
28 HG3 LYS 3 HG2 LYS 3 22.783 28.222 22.739
29 HD2 LYS 3 HD3 LYS 3 23.508 26.544 20.937
30 HD3 LYS 3 HD2 LYS 3 21.867 26.690 20.246
31 HE2 LYS 3 HE3 LYS 3 23.887 29.007 20.613
32 HE3 LYS 3 HE2 LYS 3 23.498 28.142 19.074
33 HZ1 LYS 3 HZ1 LYS 3 22.144 29.973 18.974
34 HZ2 LYS 3 HZ2 LYS 3 21.792 30.011 20.628
35 HZ3 LYS 3 HZ3 LYS 3 21.093 28.851 19.661
36 H CYS 4 H CYS 4 22.182 23.190 23.092
37 HA CYS 4 HA CYS 4 23.289 21.761 21.873
38 HB2 CYS 4 HB3 CYS 4 22.172 20.427 20.268
39 HB3 CYS 4 HB2 CYS 4 20.963 20.968 21.459
40 H GLY 5 H GLY 5 24.263 20.961 19.956
41 HA2 GLY 5 HA3 GLY 5 25.541 21.241 18.158
42 HA3 GLY 5 HA2 GLY 5 24.859 22.890 17.943
43 H LEU 6 H LEU 6 26.073 22.583 21.111
44 HA LEU 6 HA LEU 6 28.107 24.409 20.267
45 HB2 LEU 6 HB3 LEU 6 26.911 23.908 23.035
46 HB3 LEU 6 HB2 LEU 6 28.166 25.136 22.636
47 HG LEU 6 HG LEU 6 25.360 24.961 21.481
48 HD11 LEU 6 HD11 LEU 6 25.360 25.633 23.895
49 HD12 LEU 6 HD12 LEU 6 24.963 27.067 22.871
50 HD13 LEU 6 HD13 LEU 6 26.612 26.890 23.558
51 HD21 LEU 6 HD21 LEU 6 25.804 27.307 20.620
52 HD22 LEU 6 HD22 LEU 6 26.768 26.040 19.792
53 HD23 LEU 6 HD23 LEU 6 27.543 27.094 21.038
54 H CYS 7 H CYS 7 28.528 23.134 23.331
55 HA CYS 7 HA CYS 7 30.222 20.909 22.472
56 HB2 CYS 7 HB3 CYS 7 31.356 23.070 24.354
57 HB3 CYS 7 HB2 CYS 7 32.165 21.549 23.854
58 H ARG 8 H ARG 8 30.208 19.293 23.552
59 HA ARG 8 HA ARG 8 29.516 17.757 24.858
60 HB2 ARG 8 HB3 ARG 8 31.198 19.162 26.326
61 HB3 ARG 8 HB2 ARG 8 29.763 19.507 27.316
62 HG2 ARG 8 HG3 ARG 8 31.009 16.751 26.663
63 HG3 ARG 8 HG2 ARG 8 31.112 17.670 28.191
64 HD2 ARG 8 HD3 ARG 8 28.546 17.445 28.404
65 HD3 ARG 8 HD2 ARG 8 28.610 16.310 27.019
66 HE ARG 8 HE ARG 8 29.894 14.742 28.325
67 HH11 ARG 8 HH11 ARG 8 29.146 17.637 30.291
68 HH12 ARG 8 HH12 ARG 8 29.183 16.769 31.786
69 HH21 ARG 8 HH21 ARG 8 29.462 13.607 30.211
70 HH22 ARG 8 HH22 ARG 8 29.335 14.396 31.740
71 H TYR 9 H TYR 9 27.640 19.736 23.684
72 HA TYR 9 HA TYR 9 25.835 20.216 25.907
73 HB2 TYR 9 HB3 TYR 9 26.739 21.871 24.094
74 HB3 TYR 9 HB2 TYR 9 25.414 21.284 23.042
75 HD1 TYR 9 HD1 TYR 9 23.080 21.058 24.378
76 HD2 TYR 9 HD2 TYR 9 26.311 23.599 25.500
77 HE1 TYR 9 HE1 TYR 9 21.557 22.423 25.656
78 HE2 TYR 9 HE2 TYR 9 24.759 25.032 26.723
79 HH TYR 9 HH TYR 9 22.435 24.754 27.820
80 H ARG 10 H ARG 10 25.099 19.493 22.515
81 HA ARG 10 HA ARG 10 24.575 16.946 22.770
82 HB2 ARG 10 HB3 ARG 10 22.356 16.474 22.288
83 HB3 ARG 10 HB2 ARG 10 22.663 17.013 23.948
84 HG2 ARG 10 HG3 ARG 10 21.962 19.436 22.680
85 HG3 ARG 10 HG2 ARG 10 20.866 18.252 21.888
86 HD2 ARG 10 HD3 ARG 10 21.249 18.815 24.893
87 HD3 ARG 10 HD2 ARG 10 19.764 19.217 23.925
88 HE ARG 10 HE ARG 10 19.881 16.516 23.499
89 HH11 ARG 10 HH21 ARG 10 20.508 18.184 26.606
90 HH12 ARG 10 HH22 ARG 10 20.367 16.690 27.480
91 HH21 ARG 10 HH11 ARG 10 19.413 14.773 24.705
92 HH22 ARG 10 HH12 ARG 10 19.290 14.893 26.454
93 H CYS 11 H CYS 11 23.922 16.337 20.368
94 HA CYS 11 HA CYS 11 24.552 18.374 18.502
95 HB2 CYS 11 HB3 CYS 11 23.296 15.680 17.827
96 HB3 CYS 11 HB2 CYS 11 24.434 16.662 16.851
97 H CYS 12 H CYS 12 22.985 19.364 16.970
98 HA CYS 12 HA CYS 12 20.360 19.457 18.096
99 HB2 CYS 12 HB3 CYS 12 21.393 20.770 15.548
100 HB3 CYS 12 HB2 CYS 12 19.808 21.055 16.327
101 H SER 13 H SER 13 21.253 18.630 14.673
102 HA SER 13 HA SER 13 19.169 16.564 14.873
103 HB2 SER 13 HB3 SER 13 18.701 18.437 13.261
104 HB3 SER 13 HB2 SER 13 20.202 18.011 12.388
105 HG SER 13 HG SER 13 17.805 16.537 12.671
106 H GLY 14 H GLY 14 22.458 17.131 14.726
107 HA2 GLY 14 HA3 GLY 14 23.690 15.057 15.198
108 HA3 GLY 14 HA2 GLY 14 22.961 14.395 13.699
109 H GLY 15 H GLY 15 24.305 17.703 14.141
110 HA2 GLY 15 HA3 GLY 15 26.671 17.237 12.723
111 HA3 GLY 15 HA2 GLY 15 25.307 17.803 11.659
112 H CYS 16 H CYS 16 27.326 18.515 14.403
113 HA CYS 16 HA CYS 16 26.093 20.735 15.473
114 HB2 CYS 16 HB3 CYS 16 29.065 20.067 15.384
115 HB3 CYS 16 HB2 CYS 16 28.338 21.313 16.434
116 H SER 17 H SER 17 26.763 22.918 15.665
117 HA SER 17 HA SER 17 27.852 24.132 13.265
118 HB2 SER 17 HB3 SER 17 27.046 25.438 15.924
119 HB3 SER 17 HB2 SER 17 27.329 26.241 14.337
120 HG SER 17 HG SER 17 25.173 25.954 14.656
121 H SER 18 H SER 18 28.704 23.566 16.725
122 HA SER 18 HA SER 18 31.092 25.153 16.283
123 HB2 SER 18 HB3 SER 18 29.634 25.425 18.328
124 HB3 SER 18 HB2 SER 18 30.267 23.847 18.901
125 HG SER 18 HG SER 18 31.598 25.451 19.686
126 H GLY 19 H GLY 19 30.554 21.906 17.784
127 HA2 GLY 19 HA3 GLY 19 33.372 21.354 17.193
128 HA3 GLY 19 HA2 GLY 19 32.291 20.556 18.372
129 H LYS 20 H LYS 20 31.315 18.656 17.851
130 HA LYS 20 HA LYS 20 30.877 17.720 15.362
131 HB2 LYS 20 HB3 LYS 20 33.385 17.709 15.001
132 HB3 LYS 20 HB2 LYS 20 33.568 16.762 16.500
133 HG2 LYS 20 HG3 LYS 20 33.801 15.248 14.708
134 HG3 LYS 20 HG2 LYS 20 32.201 14.877 15.389
135 HD2 LYS 20 HD3 LYS 20 31.144 16.312 13.555
136 HD3 LYS 20 HD2 LYS 20 32.765 16.593 12.882
137 HE2 LYS 20 HE3 LYS 20 31.250 13.900 13.057
138 HE3 LYS 20 HE2 LYS 20 31.659 14.857 11.578
139 HZ1 LYS 20 HZ1 LYS 20 33.301 13.263 11.650
140 HZ2 LYS 20 HZ2 LYS 20 33.407 13.265 13.342
141 HZ3 LYS 20 HZ3 LYS 20 34.067 14.538 12.432
142 H CYS 21 H CYS 21 29.201 16.963 16.209
143 HA CYS 21 HA CYS 21 28.411 15.754 18.393
144 HB2 CYS 21 HB3 CYS 21 27.120 16.213 16.233
145 HB3 CYS 21 HB2 CYS 21 27.876 14.776 15.511
146 H VAL 22 H VAL 22 29.132 14.227 19.673
147 HA VAL 22 HA VAL 22 31.082 12.507 18.726
148 HB VAL 22 HB VAL 22 30.742 13.598 21.015
149 HG11 VAL 22 HG11 VAL 22 28.612 12.513 21.719
150 HG12 VAL 22 HG12 VAL 22 29.982 12.124 22.803
151 HG13 VAL 22 HG13 VAL 22 29.420 10.882 21.648
152 HG21 VAL 22 HG21 VAL 22 32.714 12.285 20.259
153 HG22 VAL 22 HG22 VAL 22 31.858 10.743 20.638
154 HG23 VAL 22 HG23 VAL 22 32.301 11.889 21.960
155 H ASN 23 H ASN 23 27.778 12.173 19.246
156 HA ASN 23 HA ASN 23 27.024 9.939 18.032
157 HB2 ASN 23 HB3 ASN 23 28.591 8.685 19.755
158 HB3 ASN 23 HB2 ASN 23 27.420 9.160 21.019
159 HD21 ASN 23 HD21 ASN 23 25.178 8.237 20.803
160 HD22 ASN 23 HD22 ASN 23 24.878 6.891 19.739
161 H GLY 24 H GLY 24 27.021 11.726 21.064
162 HA2 GLY 24 HA3 GLY 24 24.114 12.133 20.876
163 HA3 GLY 24 HA2 GLY 24 24.907 11.417 22.327
164 H ALA 25 H ALA 25 26.974 13.764 21.118
165 HA ALA 25 HA ALA 25 25.803 16.099 21.803
166 HB1 ALA 25 HB1 ALA 25 25.907 15.290 24.264
167 HB2 ALA 25 HB2 ALA 25 27.046 16.650 23.967
168 HB3 ALA 25 HB3 ALA 25 27.649 14.945 24.033
169 H CYS 26 H CYS 26 27.045 17.737 21.311
170 HA CYS 26 HA CYS 26 29.046 17.271 19.477
171 HB2 CYS 26 HB3 CYS 26 27.428 19.348 20.117
172 HB3 CYS 26 HB2 CYS 26 28.897 19.905 20.986
173 H ASP 27 H ASP 27 30.983 16.639 19.502
174 HA ASP 27 HA ASP 27 32.562 16.956 21.891
175 HB2 ASP 27 HB3 ASP 27 32.346 14.699 21.490
176 HB3 ASP 27 HB2 ASP 27 32.549 14.846 19.716
177 H CYS 28 H CYS 28 33.032 18.898 21.691
178 HA CYS 28 HA CYS 28 34.703 19.949 19.612
179 HB2 CYS 28 HB3 CYS 28 34.222 20.980 22.474
180 HB3 CYS 28 HB2 CYS 28 35.045 21.895 21.168
181 H SER 29 H SER 29 35.058 18.114 22.486
182 HA SER 29 HA SER 29 36.841 18.485 23.981
183 HB2 SER 29 HB3 SER 29 36.267 16.043 22.484
184 HB3 SER 29 HB2 SER 29 37.909 15.981 23.202
185 HG SER 29 HG SER 29 37.093 16.206 25.171
Start of MODEL 11
1 H1 LYS 1 H1 LYS 1 15.097 23.215 28.381
2 H2 LYS 1 H2 LYS 1 16.187 24.510 28.340
3 H3 LYS 1 H3 LYS 1 16.759 22.935 28.319
4 HA LYS 1 HA LYS 1 15.577 22.563 26.213
5 HB2 LYS 1 HB3 LYS 1 13.937 24.343 26.555
6 HB3 LYS 1 HB2 LYS 1 15.199 25.588 26.375
7 HG2 LYS 1 HG3 LYS 1 15.455 25.096 24.009
8 HG3 LYS 1 HG2 LYS 1 14.573 23.548 24.164
9 HD2 LYS 1 HD3 LYS 1 13.194 25.271 23.083
10 HD3 LYS 1 HD2 LYS 1 12.463 24.656 24.601
11 HE2 LYS 1 HE3 LYS 1 13.151 26.728 25.818
12 HE3 LYS 1 HE2 LYS 1 13.991 27.330 24.331
13 HZ1 LYS 1 HZ1 LYS 1 11.868 27.361 23.207
14 HZ2 LYS 1 HZ2 LYS 1 11.786 28.266 24.629
15 HZ3 LYS 1 HZ3 LYS 1 11.076 26.734 24.580
16 HA PRO 2 HA PRO 2 19.910 23.575 25.860
17 HB2 PRO 2 HB3 PRO 2 20.820 21.561 24.231
18 HB3 PRO 2 HB2 PRO 2 20.220 21.240 25.903
19 HG2 PRO 2 HG3 PRO 2 18.608 20.987 23.302
20 HG3 PRO 2 HG2 PRO 2 18.812 19.737 24.606
21 HD2 PRO 2 HD3 PRO 2 16.642 21.456 24.555
22 HD3 PRO 2 HD2 PRO 2 17.441 20.989 26.135
23 H LYS 3 H LYS 3 21.127 24.912 24.649
24 HA LYS 3 HA LYS 3 20.045 25.886 22.223
25 HB2 LYS 3 HB3 LYS 3 21.337 27.226 23.925
26 HB3 LYS 3 HB2 LYS 3 22.816 26.342 23.473
27 HG2 LYS 3 HG3 LYS 3 22.736 28.560 22.438
28 HG3 LYS 3 HG2 LYS 3 22.703 27.292 21.175
29 HD2 LYS 3 HD3 LYS 3 20.266 27.611 20.853
30 HD3 LYS 3 HD2 LYS 3 20.191 28.671 22.287
31 HE2 LYS 3 HE3 LYS 3 20.015 30.016 20.255
32 HE3 LYS 3 HE2 LYS 3 21.553 30.410 21.118
33 HZ1 LYS 3 HZ1 LYS 3 21.784 30.130 18.676
34 HZ2 LYS 3 HZ2 LYS 3 21.339 28.515 18.813
35 HZ3 LYS 3 HZ3 LYS 3 22.756 29.076 19.538
36 H CYS 4 H CYS 4 22.418 23.584 23.142
37 HA CYS 4 HA CYS 4 23.615 22.063 22.071
38 HB2 CYS 4 HB3 CYS 4 22.435 20.627 20.565
39 HB3 CYS 4 HB2 CYS 4 21.301 21.283 21.777
40 H GLY 5 H GLY 5 24.557 21.036 20.259
41 HA2 GLY 5 HA3 GLY 5 25.818 21.072 18.421
42 HA3 GLY 5 HA2 GLY 5 25.063 22.651 17.995
43 H LEU 6 H LEU 6 26.437 22.800 21.075
44 HA LEU 6 HA LEU 6 28.536 24.403 19.919
45 HB2 LEU 6 HB3 LEU 6 27.491 24.372 22.780
46 HB3 LEU 6 HB2 LEU 6 28.793 25.439 22.149
47 HG LEU 6 HG LEU 6 25.932 25.300 21.118
48 HD11 LEU 6 HD11 LEU 6 27.285 27.467 22.876
49 HD12 LEU 6 HD12 LEU 6 26.070 26.275 23.455
50 HD13 LEU 6 HD13 LEU 6 25.602 27.522 22.239
51 HD21 LEU 6 HD21 LEU 6 28.240 27.225 20.402
52 HD22 LEU 6 HD22 LEU 6 26.510 27.511 19.980
53 HD23 LEU 6 HD23 LEU 6 27.368 26.091 19.300
54 H CYS 7 H CYS 7 28.978 23.410 23.130
55 HA CYS 7 HA CYS 7 30.521 21.034 22.380
56 HB2 CYS 7 HB3 CYS 7 31.747 23.188 24.235
57 HB3 CYS 7 HB2 CYS 7 32.500 21.644 23.724
58 H ARG 8 H ARG 8 30.432 19.472 23.542
59 HA ARG 8 HA ARG 8 29.734 18.060 25.028
60 HB2 ARG 8 HB3 ARG 8 31.429 19.366 26.413
61 HB3 ARG 8 HB2 ARG 8 30.037 20.184 27.179
62 HG2 ARG 8 HG3 ARG 8 29.185 17.880 27.881
63 HG3 ARG 8 HG2 ARG 8 30.656 17.151 27.162
64 HD2 ARG 8 HD3 ARG 8 32.086 18.356 28.831
65 HD3 ARG 8 HD2 ARG 8 30.643 19.259 29.427
66 HE ARG 8 HE ARG 8 29.674 17.144 30.252
67 HH11 ARG 8 HH11 ARG 8 32.840 16.507 28.725
68 HH12 ARG 8 HH12 ARG 8 32.972 14.957 29.467
69 HH21 ARG 8 HH21 ARG 8 29.803 15.149 30.994
70 HH22 ARG 8 HH22 ARG 8 31.198 14.133 30.770
71 H TYR 9 H TYR 9 27.903 20.024 23.705
72 HA TYR 9 HA TYR 9 26.021 20.553 25.853
73 HB2 TYR 9 HB3 TYR 9 26.880 22.165 24.027
74 HB3 TYR 9 HB2 TYR 9 25.595 21.518 22.971
75 HD1 TYR 9 HD2 TYR 9 23.453 21.114 25.270
76 HD2 TYR 9 HD1 TYR 9 26.172 24.269 24.337
77 HE1 TYR 9 HE2 TYR 9 22.033 22.686 26.406
78 HE2 TYR 9 HE1 TYR 9 24.645 25.868 25.349
79 HH TYR 9 HH TYR 9 22.651 26.169 26.432
80 H ARG 10 H ARG 10 25.241 19.646 22.492
81 HA ARG 10 HA ARG 10 24.722 17.141 22.952
82 HB2 ARG 10 HB3 ARG 10 22.575 16.505 22.744
83 HB3 ARG 10 HB2 ARG 10 22.925 17.262 24.290
84 HG2 ARG 10 HG3 ARG 10 21.027 18.401 24.101
85 HG3 ARG 10 HG2 ARG 10 21.881 19.460 22.955
86 HD2 ARG 10 HD3 ARG 10 19.638 18.699 22.088
87 HD3 ARG 10 HD2 ARG 10 20.976 18.065 21.044
88 HE ARG 10 HE ARG 10 20.118 16.299 23.311
89 HH11 ARG 10 HH11 ARG 10 20.129 16.637 19.758
90 HH12 ARG 10 HH12 ARG 10 19.175 15.242 19.542
91 HH21 ARG 10 HH21 ARG 10 18.951 14.401 22.937
92 HH22 ARG 10 HH22 ARG 10 18.526 13.968 21.310
93 H CYS 11 H CYS 11 24.093 16.241 20.696
94 HA CYS 11 HA CYS 11 24.700 17.950 18.595
95 HB2 CYS 11 HB3 CYS 11 23.119 15.320 18.418
96 HB3 CYS 11 HB2 CYS 11 24.175 16.046 17.161
97 H CYS 12 H CYS 12 23.255 19.428 17.394
98 HA CYS 12 HA CYS 12 20.650 19.587 18.368
99 HB2 CYS 12 HB3 CYS 12 21.882 20.831 15.876
100 HB3 CYS 12 HB2 CYS 12 20.247 21.193 16.503
101 H SER 13 H SER 13 21.256 18.977 14.843
102 HA SER 13 HA SER 13 18.932 17.185 15.007
103 HB2 SER 13 HB3 SER 13 18.909 19.169 13.442
104 HB3 SER 13 HB2 SER 13 20.238 18.399 12.530
105 HG SER 13 HG SER 13 17.976 17.991 11.850
106 H GLY 14 H GLY 14 22.170 16.997 15.274
107 HA2 GLY 14 HA3 GLY 14 23.490 15.022 14.972
108 HA3 GLY 14 HA2 GLY 14 22.459 14.602 13.551
109 H GLY 15 H GLY 15 24.379 17.403 14.827
110 HA2 GLY 15 HA3 GLY 15 25.879 18.020 12.663
111 HA3 GLY 15 HA2 GLY 15 24.211 18.677 12.355
112 H CYS 16 H CYS 16 27.105 18.930 14.195
113 HA CYS 16 HA CYS 16 26.100 21.008 15.922
114 HB2 CYS 16 HB3 CYS 16 28.932 20.048 15.220
115 HB3 CYS 16 HB2 CYS 16 28.598 21.334 16.410
116 H SER 17 H SER 17 27.049 23.168 15.974
117 HA SER 17 HA SER 17 27.853 24.186 13.338
118 HB2 SER 17 HB3 SER 17 27.066 25.674 15.901
119 HB3 SER 17 HB2 SER 17 27.561 26.435 14.349
120 HG SER 17 HG SER 17 25.799 25.555 13.369
121 H SER 18 H SER 18 28.899 23.710 16.741
122 HA SER 18 HA SER 18 31.364 25.109 16.121
123 HB2 SER 18 HB3 SER 18 30.029 25.560 18.211
124 HB3 SER 18 HB2 SER 18 30.449 23.917 18.780
125 HG SER 18 HG SER 18 31.851 25.518 19.532
126 H GLY 19 H GLY 19 30.665 21.987 17.863
127 HA2 GLY 19 HA3 GLY 19 33.344 21.169 17.053
128 HA3 GLY 19 HA2 GLY 19 32.275 20.483 18.309
129 H LYS 20 H LYS 20 31.167 18.640 17.874
130 HA LYS 20 HA LYS 20 30.674 17.620 15.397
131 HB2 LYS 20 HB3 LYS 20 33.249 17.763 15.137
132 HB3 LYS 20 HB2 LYS 20 33.403 16.717 16.569
133 HG2 LYS 20 HG3 LYS 20 33.762 15.445 14.530
134 HG3 LYS 20 HG2 LYS 20 32.258 14.860 15.297
135 HD2 LYS 20 HD3 LYS 20 30.876 16.096 13.710
136 HD3 LYS 20 HD2 LYS 20 32.296 16.972 13.048
137 HE2 LYS 20 HE3 LYS 20 33.160 15.057 11.904
138 HE3 LYS 20 HE2 LYS 20 32.186 13.912 12.911
139 HZ1 LYS 20 HZ1 LYS 20 30.185 14.803 11.901
140 HZ2 LYS 20 HZ2 LYS 20 31.235 14.107 10.771
141 HZ3 LYS 20 HZ3 LYS 20 31.111 15.786 10.861
142 H CYS 21 H CYS 21 29.008 16.869 16.316
143 HA CYS 21 HA CYS 21 28.319 15.713 18.558
144 HB2 CYS 21 HB3 CYS 21 26.862 16.050 16.528
145 HB3 CYS 21 HB2 CYS 21 27.674 14.692 15.727
146 H VAL 22 H VAL 22 29.085 14.237 19.869
147 HA VAL 22 HA VAL 22 30.964 12.435 18.938
148 HB VAL 22 HB VAL 22 30.819 13.562 21.176
149 HG11 VAL 22 HG11 VAL 22 28.570 12.764 21.950
150 HG12 VAL 22 HG12 VAL 22 29.916 12.337 23.053
151 HG13 VAL 22 HG13 VAL 22 29.225 11.065 22.011
152 HG21 VAL 22 HG21 VAL 22 32.204 11.789 22.168
153 HG22 VAL 22 HG22 VAL 22 32.563 11.921 20.413
154 HG23 VAL 22 HG23 VAL 22 31.541 10.557 21.031
155 H ASN 23 H ASN 23 27.628 12.148 19.509
156 HA ASN 23 HA ASN 23 26.889 9.772 18.590
157 HB2 ASN 23 HB3 ASN 23 28.630 9.198 20.846
158 HB3 ASN 23 HB2 ASN 23 26.964 8.966 21.451
159 HD21 ASN 23 HD21 ASN 23 29.523 7.352 19.871
160 HD22 ASN 23 HD22 ASN 23 28.560 6.114 19.116
161 H GLY 24 H GLY 24 26.933 11.869 21.400
162 HA2 GLY 24 HA3 GLY 24 24.075 12.378 21.076
163 HA3 GLY 24 HA2 GLY 24 24.685 11.681 22.622
164 H ALA 25 H ALA 25 27.087 13.770 21.536
165 HA ALA 25 HA ALA 25 25.948 16.219 22.073
166 HB1 ALA 25 HB1 ALA 25 27.840 15.105 24.268
167 HB2 ALA 25 HB2 ALA 25 26.095 15.462 24.537
168 HB3 ALA 25 HB3 ALA 25 27.226 16.803 24.165
169 H CYS 26 H CYS 26 27.170 17.846 21.515
170 HA CYS 26 HA CYS 26 29.000 17.280 19.541
171 HB2 CYS 26 HB3 CYS 26 27.436 19.367 20.156
172 HB3 CYS 26 HB2 CYS 26 28.885 19.942 21.052
173 H ASP 27 H ASP 27 30.938 16.607 19.483
174 HA ASP 27 HA ASP 27 32.620 16.998 21.754
175 HB2 ASP 27 HB3 ASP 27 32.025 14.728 20.204
176 HB3 ASP 27 HB2 ASP 27 33.669 15.135 19.669
177 H CYS 28 H CYS 28 33.014 18.999 21.418
178 HA CYS 28 HA CYS 28 34.813 19.980 19.449
179 HB2 CYS 28 HB3 CYS 28 34.328 20.845 22.369
180 HB3 CYS 28 HB2 CYS 28 35.343 21.761 21.210
181 H SER 29 H SER 29 35.021 18.294 22.431
182 HA SER 29 HA SER 29 37.278 18.336 23.501
183 HB2 SER 29 HB3 SER 29 35.279 16.730 23.797
184 HB3 SER 29 HB2 SER 29 36.150 15.610 22.710
185 HG SER 29 HG SER 29 36.634 15.162 24.825
Start of MODEL 12
1 H1 LYS 1 H1 LYS 1 17.415 24.310 29.310
2 H2 LYS 1 H2 LYS 1 17.139 22.650 29.243
3 H3 LYS 1 H3 LYS 1 15.856 23.718 29.220
4 HA LYS 1 HA LYS 1 16.285 22.859 26.981
5 HB2 LYS 1 HB3 LYS 1 16.903 25.826 27.425
6 HB3 LYS 1 HB2 LYS 1 16.390 25.131 25.867
7 HG2 LYS 1 HG3 LYS 1 14.167 24.722 26.628
8 HG3 LYS 1 HG2 LYS 1 14.628 24.844 28.347
9 HD2 LYS 1 HD3 LYS 1 15.331 27.296 27.875
10 HD3 LYS 1 HD2 LYS 1 14.516 27.115 26.290
11 HE2 LYS 1 HE3 LYS 1 13.053 28.241 27.934
12 HE3 LYS 1 HE2 LYS 1 12.336 26.647 27.467
13 HZ1 LYS 1 HZ1 LYS 1 12.975 25.735 29.505
14 HZ2 LYS 1 HZ2 LYS 1 12.370 27.248 29.898
15 HZ3 LYS 1 HZ3 LYS 1 14.043 26.990 29.890
16 HA PRO 2 HA PRO 2 20.803 22.918 26.292
17 HB2 PRO 2 HB3 PRO 2 19.928 20.649 24.473
18 HB3 PRO 2 HB2 PRO 2 21.431 20.781 25.504
19 HG2 PRO 2 HG3 PRO 2 19.346 19.209 26.342
20 HG3 PRO 2 HG2 PRO 2 20.139 20.331 27.530
21 HD2 PRO 2 HD3 PRO 2 17.565 20.839 25.901
22 HD3 PRO 2 HD2 PRO 2 17.852 21.053 27.685
23 H LYS 3 H LYS 3 21.650 24.260 24.870
24 HA LYS 3 HA LYS 3 20.005 25.370 22.864
25 HB2 LYS 3 HB3 LYS 3 21.867 26.407 24.435
26 HB3 LYS 3 HB2 LYS 3 23.018 25.796 23.232
27 HG2 LYS 3 HG3 LYS 3 22.613 28.086 22.709
28 HG3 LYS 3 HG2 LYS 3 21.677 27.188 21.472
29 HD2 LYS 3 HD3 LYS 3 19.599 27.499 22.876
30 HD3 LYS 3 HD2 LYS 3 20.584 28.346 24.116
31 HE2 LYS 3 HE3 LYS 3 21.098 30.173 22.447
32 HE3 LYS 3 HE2 LYS 3 20.074 29.311 21.226
33 HZ1 LYS 3 HZ1 LYS 3 18.177 29.669 22.489
34 HZ2 LYS 3 HZ2 LYS 3 18.995 31.140 22.588
35 HZ3 LYS 3 HZ3 LYS 3 19.017 30.070 23.899
36 H CYS 4 H CYS 4 22.417 23.062 23.034
37 HA CYS 4 HA CYS 4 23.493 21.684 21.720
38 HB2 CYS 4 HB3 CYS 4 22.222 20.339 20.235
39 HB3 CYS 4 HB2 CYS 4 21.091 20.945 21.464
40 H GLY 5 H GLY 5 24.424 20.845 19.897
41 HA2 GLY 5 HA3 GLY 5 25.524 20.985 17.983
42 HA3 GLY 5 HA2 GLY 5 24.759 22.582 17.659
43 H LEU 6 H LEU 6 26.160 22.616 20.782
44 HA LEU 6 HA LEU 6 28.056 24.365 19.631
45 HB2 LEU 6 HB3 LEU 6 26.954 24.272 22.473
46 HB3 LEU 6 HB2 LEU 6 28.168 25.453 21.848
47 HG LEU 6 HG LEU 6 25.388 24.997 20.715
48 HD11 LEU 6 HD11 LEU 6 25.255 25.838 23.080
49 HD12 LEU 6 HD12 LEU 6 24.726 27.120 21.919
50 HD13 LEU 6 HD13 LEU 6 26.363 27.197 22.664
51 HD21 LEU 6 HD21 LEU 6 26.922 26.095 19.049
52 HD22 LEU 6 HD22 LEU 6 27.294 27.384 20.264
53 HD23 LEU 6 HD23 LEU 6 25.627 27.206 19.614
54 H CYS 7 H CYS 7 28.470 23.473 22.830
55 HA CYS 7 HA CYS 7 30.222 21.160 22.271
56 HB2 CYS 7 HB3 CYS 7 31.272 23.486 24.001
57 HB3 CYS 7 HB2 CYS 7 32.118 21.948 23.591
58 H ARG 8 H ARG 8 30.264 19.684 23.394
59 HA ARG 8 HA ARG 8 29.517 18.157 24.659
60 HB2 ARG 8 HB3 ARG 8 31.238 19.255 26.226
61 HB3 ARG 8 HB2 ARG 8 29.826 19.847 27.156
62 HG2 ARG 8 HG3 ARG 8 29.025 17.382 27.278
63 HG3 ARG 8 HG2 ARG 8 30.517 16.937 26.401
64 HD2 ARG 8 HD3 ARG 8 31.863 17.893 28.345
65 HD3 ARG 8 HD2 ARG 8 30.316 18.150 29.239
66 HE ARG 8 HE ARG 8 31.363 15.469 28.221
67 HH11 ARG 8 HH21 ARG 8 29.166 17.069 30.610
68 HH12 ARG 8 HH22 ARG 8 28.496 15.517 31.014
69 HH21 ARG 8 HH11 ARG 8 30.513 13.661 28.874
70 HH22 ARG 8 HH12 ARG 8 29.157 13.595 29.980
71 H TYR 9 H TYR 9 27.784 20.010 23.503
72 HA TYR 9 HA TYR 9 26.028 20.811 25.683
73 HB2 TYR 9 HB3 TYR 9 26.976 22.123 23.482
74 HB3 TYR 9 HB2 TYR 9 25.324 21.755 22.887
75 HD1 TYR 9 HD2 TYR 9 23.454 22.149 24.808
76 HD2 TYR 9 HD1 TYR 9 27.311 23.939 24.773
77 HE1 TYR 9 HE2 TYR 9 22.641 23.972 26.231
78 HE2 TYR 9 HE1 TYR 9 26.476 25.778 26.149
79 HH TYR 9 HH TYR 9 23.039 26.047 27.018
80 H ARG 10 H ARG 10 25.401 19.600 22.401
81 HA ARG 10 HA ARG 10 24.737 17.274 23.021
82 HB2 ARG 10 HB3 ARG 10 22.624 16.612 22.580
83 HB3 ARG 10 HB2 ARG 10 22.864 17.343 24.178
84 HG2 ARG 10 HG3 ARG 10 21.796 19.482 23.425
85 HG3 ARG 10 HG2 ARG 10 21.448 18.758 21.819
86 HD2 ARG 10 HD3 ARG 10 20.401 17.507 24.444
87 HD3 ARG 10 HD2 ARG 10 19.509 18.794 23.550
88 HE ARG 10 HE ARG 10 20.383 16.180 22.252
89 HH11 ARG 10 HH11 ARG 10 17.656 18.288 22.933
90 HH12 ARG 10 HH12 ARG 10 16.945 18.106 21.351
91 HH21 ARG 10 HH21 ARG 10 19.334 15.835 20.186
92 HH22 ARG 10 HH22 ARG 10 17.886 16.706 19.845
93 H CYS 11 H CYS 11 24.197 16.252 20.713
94 HA CYS 11 HA CYS 11 24.722 17.745 18.526
95 HB2 CYS 11 HB3 CYS 11 22.721 15.420 18.689
96 HB3 CYS 11 HB2 CYS 11 23.660 15.891 17.248
97 H CYS 12 H CYS 12 23.381 19.084 17.051
98 HA CYS 12 HA CYS 12 20.652 19.489 18.025
99 HB2 CYS 12 HB3 CYS 12 22.166 20.763 15.729
100 HB3 CYS 12 HB2 CYS 12 20.405 20.984 15.992
101 H SER 13 H SER 13 21.270 19.230 14.535
102 HA SER 13 HA SER 13 19.145 17.220 14.538
103 HB2 SER 13 HB3 SER 13 18.991 19.491 13.300
104 HB3 SER 13 HB2 SER 13 20.211 18.837 12.179
105 HG SER 13 HG SER 13 17.568 18.053 12.700
106 H GLY 14 H GLY 14 22.200 16.914 14.982
107 HA2 GLY 14 HA3 GLY 14 23.673 15.251 14.421
108 HA3 GLY 14 HA2 GLY 14 22.623 14.772 13.038
109 H GLY 15 H GLY 15 24.309 17.740 14.144
110 HA2 GLY 15 HA3 GLY 15 26.262 17.899 12.290
111 HA3 GLY 15 HA2 GLY 15 24.802 18.681 11.550
112 H CYS 16 H CYS 16 27.166 18.787 14.185
113 HA CYS 16 HA CYS 16 26.096 20.964 15.592
114 HB2 CYS 16 HB3 CYS 16 28.964 19.954 15.190
115 HB3 CYS 16 HB2 CYS 16 28.547 21.267 16.315
116 H SER 17 H SER 17 26.966 23.152 15.791
117 HA SER 17 HA SER 17 27.977 24.303 13.335
118 HB2 SER 17 HB3 SER 17 27.475 25.510 16.118
119 HB3 SER 17 HB2 SER 17 28.101 26.420 14.706
120 HG SER 17 HG SER 17 26.238 25.960 13.606
121 H SER 18 H SER 18 29.129 23.322 16.597
122 HA SER 18 HA SER 18 31.689 24.597 15.876
123 HB2 SER 18 HB3 SER 18 30.691 25.352 17.967
124 HB3 SER 18 HB2 SER 18 30.799 23.691 18.640
125 HG SER 18 HG SER 18 32.578 25.144 19.114
126 H GLY 19 H GLY 19 30.831 21.627 17.758
127 HA2 GLY 19 HA3 GLY 19 33.532 20.770 17.102
128 HA3 GLY 19 HA2 GLY 19 32.419 20.134 18.352
129 H LYS 20 H LYS 20 31.121 18.375 17.899
130 HA LYS 20 HA LYS 20 30.599 17.292 15.542
131 HB2 LYS 20 HB3 LYS 20 33.150 17.122 15.087
132 HB3 LYS 20 HB2 LYS 20 33.292 16.129 16.555
133 HG2 LYS 20 HG3 LYS 20 31.959 14.346 15.542
134 HG3 LYS 20 HG2 LYS 20 31.484 15.391 14.165
135 HD2 LYS 20 HD3 LYS 20 33.797 15.506 13.366
136 HD3 LYS 20 HD2 LYS 20 34.393 14.569 14.767
137 HE2 LYS 20 HE3 LYS 20 32.424 13.503 12.615
138 HE3 LYS 20 HE2 LYS 20 34.213 13.218 12.640
139 HZ1 LYS 20 HZ1 LYS 20 32.223 12.353 14.689
140 HZ2 LYS 20 HZ2 LYS 20 33.919 12.209 14.848
141 HZ3 LYS 20 HZ3 LYS 20 33.095 11.371 13.651
142 H CYS 21 H CYS 21 28.945 16.806 16.518
143 HA CYS 21 HA CYS 21 28.203 15.746 18.747
144 HB2 CYS 21 HB3 CYS 21 26.699 16.204 16.820
145 HB3 CYS 21 HB2 CYS 21 27.495 14.928 15.865
146 H VAL 22 H VAL 22 28.953 14.336 20.043
147 HA VAL 22 HA VAL 22 30.530 12.308 19.136
148 HB VAL 22 HB VAL 22 30.585 13.667 21.284
149 HG11 VAL 22 HG11 VAL 22 29.923 12.474 23.311
150 HG12 VAL 22 HG12 VAL 22 29.220 11.120 22.386
151 HG13 VAL 22 HG13 VAL 22 28.462 12.770 22.322
152 HG21 VAL 22 HG21 VAL 22 32.332 12.115 20.388
153 HG22 VAL 22 HG22 VAL 22 31.496 10.722 21.170
154 HG23 VAL 22 HG23 VAL 22 32.202 12.035 22.177
155 H ASN 23 H ASN 23 27.399 12.335 19.088
156 HA ASN 23 HA ASN 23 26.062 10.594 18.325
157 HB2 ASN 23 HB3 ASN 23 27.477 8.708 19.099
158 HB3 ASN 23 HB2 ASN 23 27.016 9.072 20.804
159 HD21 ASN 23 HD21 ASN 23 26.056 7.504 17.768
160 HD22 ASN 23 HD22 ASN 23 24.563 6.856 18.351
161 H GLY 24 H GLY 24 26.842 11.944 21.397
162 HA2 GLY 24 HA3 GLY 24 23.960 12.218 22.077
163 HA3 GLY 24 HA2 GLY 24 25.304 11.902 23.219
164 H ALA 25 H ALA 25 27.096 13.947 21.746
165 HA ALA 25 HA ALA 25 25.932 16.355 22.082
166 HB1 ALA 25 HB1 ALA 25 27.041 17.124 24.191
167 HB2 ALA 25 HB2 ALA 25 27.765 15.479 24.437
168 HB3 ALA 25 HB3 ALA 25 25.989 15.725 24.609
169 H CYS 26 H CYS 26 27.098 17.898 21.441
170 HA CYS 26 HA CYS 26 28.997 17.264 19.624
171 HB2 CYS 26 HB3 CYS 26 27.380 19.347 19.982
172 HB3 CYS 26 HB2 CYS 26 28.802 20.052 20.858
173 H ASP 27 H ASP 27 30.832 16.636 19.595
174 HA ASP 27 HA ASP 27 32.535 17.161 21.739
175 HB2 ASP 27 HB3 ASP 27 32.107 14.783 20.807
176 HB3 ASP 27 HB2 ASP 27 33.316 15.198 19.530
177 H CYS 28 H CYS 28 32.777 19.135 21.282
178 HA CYS 28 HA CYS 28 34.702 20.155 19.534
179 HB2 CYS 28 HB3 CYS 28 34.013 21.168 22.367
180 HB3 CYS 28 HB2 CYS 28 34.974 22.092 21.166
181 H SER 29 H SER 29 34.673 18.709 22.608
182 HA SER 29 HA SER 29 36.446 19.280 24.104
183 HB2 SER 29 HB3 SER 29 34.871 17.277 24.207
184 HB3 SER 29 HB2 SER 29 36.224 16.285 23.576
185 HG SER 29 HG SER 29 36.247 16.258 25.789
Start of MODEL 13
1 H1 LYS 1 H1 LYS 1 17.381 24.573 30.558
2 H2 LYS 1 H2 LYS 1 18.676 25.218 29.725
3 H3 LYS 1 H3 LYS 1 18.691 23.596 30.186
4 HA LYS 1 HA LYS 1 16.872 23.106 28.759
5 HB2 LYS 1 HB3 LYS 1 17.108 26.096 28.155
6 HB3 LYS 1 HB2 LYS 1 16.405 25.022 26.931
7 HG2 LYS 1 HG3 LYS 1 15.286 25.187 29.773
8 HG3 LYS 1 HG2 LYS 1 14.758 26.190 28.402
9 HD2 LYS 1 HD3 LYS 1 14.039 24.211 27.123
10 HD3 LYS 1 HD2 LYS 1 14.749 23.112 28.341
11 HE2 LYS 1 HE3 LYS 1 12.362 23.122 28.681
12 HE3 LYS 1 HE2 LYS 1 13.143 23.956 30.082
13 HZ1 LYS 1 HZ1 LYS 1 11.771 25.234 27.763
14 HZ2 LYS 1 HZ2 LYS 1 12.626 26.086 28.928
15 HZ3 LYS 1 HZ3 LYS 1 11.267 25.199 29.376
16 HA PRO 2 HA PRO 2 19.828 22.344 25.544
17 HB2 PRO 2 HB3 PRO 2 17.401 22.473 23.695
18 HB3 PRO 2 HB2 PRO 2 18.749 21.274 23.686
19 HG2 PRO 2 HG3 PRO 2 16.313 20.666 24.814
20 HG3 PRO 2 HG2 PRO 2 17.823 20.221 25.731
21 HD2 PRO 2 HD3 PRO 2 16.019 22.697 26.085
22 HD3 PRO 2 HD2 PRO 2 16.718 21.576 27.348
23 H LYS 3 H LYS 3 19.969 22.969 23.013
24 HA LYS 3 HA LYS 3 19.568 25.432 22.114
25 HB2 LYS 3 HB3 LYS 3 20.801 26.335 24.130
26 HB3 LYS 3 HB2 LYS 3 22.267 25.473 23.598
27 HG2 LYS 3 HG3 LYS 3 22.373 26.824 21.554
28 HG3 LYS 3 HG2 LYS 3 20.777 27.551 21.868
29 HD2 LYS 3 HD3 LYS 3 23.223 27.825 23.730
30 HD3 LYS 3 HD2 LYS 3 22.840 28.991 22.436
31 HE2 LYS 3 HE3 LYS 3 21.103 28.399 24.941
32 HE3 LYS 3 HE2 LYS 3 22.124 29.848 24.604
33 HZ1 LYS 3 HZ1 LYS 3 20.689 30.162 22.578
34 HZ2 LYS 3 HZ2 LYS 3 19.983 30.439 24.088
35 HZ3 LYS 3 HZ3 LYS 3 19.599 29.040 23.255
36 H CYS 4 H CYS 4 22.016 23.085 22.750
37 HA CYS 4 HA CYS 4 23.358 21.804 21.580
38 HB2 CYS 4 HB3 CYS 4 22.357 20.458 19.879
39 HB3 CYS 4 HB2 CYS 4 21.075 20.938 21.004
40 H GLY 5 H GLY 5 24.444 21.046 19.733
41 HA2 GLY 5 HA3 GLY 5 25.690 21.354 17.906
42 HA3 GLY 5 HA2 GLY 5 25.000 23.000 17.716
43 H LEU 6 H LEU 6 26.170 22.763 20.866
44 HA LEU 6 HA LEU 6 28.240 24.559 19.996
45 HB2 LEU 6 HB3 LEU 6 26.896 24.151 22.729
46 HB3 LEU 6 HB2 LEU 6 28.161 25.384 22.361
47 HG LEU 6 HG LEU 6 25.484 25.168 20.916
48 HD11 LEU 6 HD11 LEU 6 26.269 26.884 23.360
49 HD12 LEU 6 HD12 LEU 6 24.990 25.614 23.280
50 HD13 LEU 6 HD13 LEU 6 24.804 27.149 22.344
51 HD21 LEU 6 HD21 LEU 6 27.599 27.404 21.052
52 HD22 LEU 6 HD22 LEU 6 25.975 27.577 20.282
53 HD23 LEU 6 HD23 LEU 6 27.172 26.415 19.604
54 H CYS 7 H CYS 7 28.529 23.472 23.120
55 HA CYS 7 HA CYS 7 30.288 21.211 22.486
56 HB2 CYS 7 HB3 CYS 7 31.254 23.571 24.244
57 HB3 CYS 7 HB2 CYS 7 32.128 22.028 23.948
58 H ARG 8 H ARG 8 30.239 19.672 23.729
59 HA ARG 8 HA ARG 8 29.606 18.274 25.271
60 HB2 ARG 8 HB3 ARG 8 31.095 19.487 26.687
61 HB3 ARG 8 HB2 ARG 8 29.889 20.736 27.014
62 HG2 ARG 8 HG3 ARG 8 30.266 19.464 28.941
63 HG3 ARG 8 HG2 ARG 8 28.584 19.232 28.451
64 HD2 ARG 8 HD3 ARG 8 30.753 17.148 27.705
65 HD3 ARG 8 HD2 ARG 8 30.058 17.244 29.381
66 HE ARG 8 HE ARG 8 27.902 17.313 27.481
67 HH11 ARG 8 HH21 ARG 8 30.121 15.029 29.154
68 HH12 ARG 8 HH22 ARG 8 29.019 13.696 28.966
69 HH21 ARG 8 HH11 ARG 8 26.388 15.667 27.773
70 HH22 ARG 8 HH12 ARG 8 26.844 14.206 28.560
71 H TYR 9 H TYR 9 27.688 20.135 23.716
72 HA TYR 9 HA TYR 9 25.784 20.663 25.793
73 HB2 TYR 9 HB3 TYR 9 26.811 22.179 23.845
74 HB3 TYR 9 HB2 TYR 9 25.381 21.648 22.911
75 HD1 TYR 9 HD1 TYR 9 23.099 21.810 24.269
76 HD2 TYR 9 HD2 TYR 9 26.669 23.859 25.344
77 HE1 TYR 9 HE1 TYR 9 21.787 23.465 25.526
78 HE2 TYR 9 HE2 TYR 9 25.365 25.503 26.581
79 HH TYR 9 HH TYR 9 23.333 25.999 27.395
80 H ARG 10 H ARG 10 25.286 19.694 22.411
81 HA ARG 10 HA ARG 10 24.630 17.236 22.804
82 HB2 ARG 10 HB3 ARG 10 22.366 16.799 22.209
83 HB3 ARG 10 HB2 ARG 10 22.766 17.211 23.862
84 HG2 ARG 10 HG3 ARG 10 22.053 19.753 23.005
85 HG3 ARG 10 HG2 ARG 10 21.083 18.766 21.864
86 HD2 ARG 10 HD3 ARG 10 19.746 19.328 23.913
87 HD3 ARG 10 HD2 ARG 10 20.073 17.546 23.851
88 HE ARG 10 HE ARG 10 22.280 18.759 25.208
89 HH11 ARG 10 HH11 ARG 10 18.882 17.830 25.792
90 HH12 ARG 10 HH12 ARG 10 19.218 17.340 27.399
91 HH21 ARG 10 HH21 ARG 10 22.613 18.304 27.357
92 HH22 ARG 10 HH22 ARG 10 21.294 17.840 28.394
93 H CYS 11 H CYS 11 24.115 16.349 20.583
94 HA CYS 11 HA CYS 11 24.711 17.926 18.371
95 HB2 CYS 11 HB3 CYS 11 22.987 15.388 18.541
96 HB3 CYS 11 HB2 CYS 11 23.821 15.973 17.068
97 H CYS 12 H CYS 12 23.302 19.158 16.911
98 HA CYS 12 HA CYS 12 20.631 19.513 17.844
99 HB2 CYS 12 HB3 CYS 12 22.063 20.517 15.337
100 HB3 CYS 12 HB2 CYS 12 20.379 20.938 15.780
101 H SER 13 H SER 13 21.363 18.700 14.414
102 HA SER 13 HA SER 13 19.206 16.718 14.638
103 HB2 SER 13 HB3 SER 13 18.864 18.915 13.257
104 HB3 SER 13 HB2 SER 13 19.985 18.173 12.072
105 HG SER 13 HG SER 13 17.733 17.750 11.718
106 H GLY 14 H GLY 14 21.985 16.317 15.249
107 HA2 GLY 14 HA3 GLY 14 23.503 14.668 14.869
108 HA3 GLY 14 HA2 GLY 14 22.622 14.204 13.367
109 H GLY 15 H GLY 15 24.341 17.085 14.722
110 HA2 GLY 15 HA3 GLY 15 26.110 17.599 12.723
111 HA3 GLY 15 HA2 GLY 15 24.493 18.249 12.214
112 H CYS 16 H CYS 16 27.207 18.627 14.225
113 HA CYS 16 HA CYS 16 26.099 20.974 15.545
114 HB2 CYS 16 HB3 CYS 16 28.960 19.852 15.476
115 HB3 CYS 16 HB2 CYS 16 28.448 21.270 16.432
116 H SER 17 H SER 17 26.978 23.082 15.312
117 HA SER 17 HA SER 17 28.430 23.689 12.892
118 HB2 SER 17 HB3 SER 17 27.717 25.523 15.246
119 HB3 SER 17 HB2 SER 17 28.269 26.023 13.612
120 HG SER 17 HG SER 17 26.297 25.740 12.920
121 H SER 18 H SER 18 28.979 23.525 16.434
122 HA SER 18 HA SER 18 31.416 24.986 16.126
123 HB2 SER 18 HB3 SER 18 29.696 25.332 17.953
124 HB3 SER 18 HB2 SER 18 30.225 23.781 18.667
125 HG SER 18 HG SER 18 31.297 25.612 19.536
126 H GLY 19 H GLY 19 30.673 21.794 17.643
127 HA2 GLY 19 HA3 GLY 19 33.563 21.213 17.480
128 HA3 GLY 19 HA2 GLY 19 32.349 20.549 18.619
129 H LYS 20 H LYS 20 31.470 18.595 18.220
130 HA LYS 20 HA LYS 20 31.018 17.623 15.740
131 HB2 LYS 20 HB3 LYS 20 33.505 17.362 15.430
132 HB3 LYS 20 HB2 LYS 20 33.576 16.382 16.929
133 HG2 LYS 20 HG3 LYS 20 32.174 14.635 15.924
134 HG3 LYS 20 HG2 LYS 20 31.772 15.710 14.539
135 HD2 LYS 20 HD3 LYS 20 34.112 15.592 13.733
136 HD3 LYS 20 HD2 LYS 20 34.576 14.610 15.152
137 HE2 LYS 20 HE3 LYS 20 34.234 13.228 13.064
138 HE3 LYS 20 HE2 LYS 20 33.141 12.733 14.420
139 HZ1 LYS 20 HZ1 LYS 20 32.099 13.021 12.114
140 HZ2 LYS 20 HZ2 LYS 20 32.253 14.675 12.349
141 HZ3 LYS 20 HZ3 LYS 20 31.328 13.760 13.407
142 H CYS 21 H CYS 21 29.235 17.131 16.551
143 HA CYS 21 HA CYS 21 28.300 15.886 18.677
144 HB2 CYS 21 HB3 CYS 21 26.942 16.550 16.659
145 HB3 CYS 21 HB2 CYS 21 27.810 15.350 15.675
146 H VAL 22 H VAL 22 28.951 14.248 19.870
147 HA VAL 22 HA VAL 22 30.701 12.408 18.724
148 HB VAL 22 HB VAL 22 30.662 13.360 21.058
149 HG11 VAL 22 HG11 VAL 22 28.896 10.883 21.636
150 HG12 VAL 22 HG12 VAL 22 28.361 12.609 21.743
151 HG13 VAL 22 HG13 VAL 22 29.652 11.996 22.815
152 HG21 VAL 22 HG21 VAL 22 31.890 11.303 21.865
153 HG22 VAL 22 HG22 VAL 22 32.364 11.806 20.207
154 HG23 VAL 22 HG23 VAL 22 31.280 10.386 20.447
155 H ASN 23 H ASN 23 27.452 12.493 19.193
156 HA ASN 23 HA ASN 23 26.353 10.758 17.692
157 HB2 ASN 23 HB3 ASN 23 27.578 8.829 19.005
158 HB3 ASN 23 HB2 ASN 23 26.501 9.241 20.392
159 HD21 ASN 23 HD21 ASN 23 26.059 6.838 19.871
160 HD22 ASN 23 HD22 ASN 23 24.733 6.530 18.780
161 H GLY 24 H GLY 24 26.581 11.786 21.023
162 HA2 GLY 24 HA3 GLY 24 23.715 12.495 21.063
163 HA3 GLY 24 HA2 GLY 24 24.727 11.972 22.458
164 H ALA 25 H ALA 25 27.058 13.743 21.798
165 HA ALA 25 HA ALA 25 25.919 16.314 22.034
166 HB1 ALA 25 HB1 ALA 25 25.891 15.469 24.460
167 HB2 ALA 25 HB2 ALA 25 27.057 16.820 24.219
168 HB3 ALA 25 HB3 ALA 25 27.642 15.113 24.315
169 H CYS 26 H CYS 26 27.163 17.901 21.590
170 HA CYS 26 HA CYS 26 29.117 17.332 19.732
171 HB2 CYS 26 HB3 CYS 26 27.477 19.431 20.269
172 HB3 CYS 26 HB2 CYS 26 28.961 20.065 21.070
173 H ASP 27 H ASP 27 30.974 16.596 19.873
174 HA ASP 27 HA ASP 27 32.518 17.138 22.221
175 HB2 ASP 27 HB3 ASP 27 31.953 14.764 21.348
176 HB3 ASP 27 HB2 ASP 27 33.335 14.997 20.210
177 H CYS 28 H CYS 28 32.976 19.063 21.828
178 HA CYS 28 HA CYS 28 34.647 20.064 19.789
179 HB2 CYS 28 HB3 CYS 28 34.137 21.096 22.642
180 HB3 CYS 28 HB2 CYS 28 35.026 22.014 21.385
181 H SER 29 H SER 29 35.164 18.252 22.634
182 HA SER 29 HA SER 29 37.532 18.618 23.553
183 HB2 SER 29 HB3 SER 29 35.978 16.690 24.075
184 HB3 SER 29 HB2 SER 29 36.629 15.840 22.647
185 HG SER 29 HG SER 29 38.720 16.046 23.726
Start of MODEL 14
1 H1 LYS 1 H1 LYS 1 18.256 25.064 30.984
2 H2 LYS 1 H2 LYS 1 19.027 23.805 30.141
3 H3 LYS 1 H3 LYS 1 17.415 23.674 30.524
4 HA LYS 1 HA LYS 1 16.677 24.748 28.831
5 HB2 LYS 1 HB3 LYS 1 17.465 26.873 29.958
6 HB3 LYS 1 HB2 LYS 1 18.954 26.769 28.997
7 HG2 LYS 1 HG3 LYS 1 17.641 28.235 27.760
8 HG3 LYS 1 HG2 LYS 1 17.265 26.701 26.924
9 HD2 LYS 1 HD3 LYS 1 15.187 26.519 28.474
10 HD3 LYS 1 HD2 LYS 1 15.643 28.107 29.143
11 HE2 LYS 1 HE3 LYS 1 13.863 28.469 27.560
12 HE3 LYS 1 HE2 LYS 1 15.371 29.138 26.824
13 HZ1 LYS 1 HZ1 LYS 1 15.464 27.368 25.336
14 HZ2 LYS 1 HZ2 LYS 1 13.811 27.707 25.436
15 HZ3 LYS 1 HZ3 LYS 1 14.419 26.381 26.265
16 HA PRO 2 HA PRO 2 19.627 22.830 25.983
17 HB2 PRO 2 HB3 PRO 2 17.107 22.825 24.249
18 HB3 PRO 2 HB2 PRO 2 18.372 21.559 24.408
19 HG2 PRO 2 HG3 PRO 2 15.990 21.268 25.760
20 HG3 PRO 2 HG2 PRO 2 17.549 20.968 26.665
21 HD2 PRO 2 HD3 PRO 2 15.880 23.560 26.614
22 HD3 PRO 2 HD2 PRO 2 16.562 22.631 28.045
23 H LYS 3 H LYS 3 20.487 23.225 23.932
24 HA LYS 3 HA LYS 3 19.820 25.744 22.660
25 HB2 LYS 3 HB3 LYS 3 21.449 26.104 24.693
26 HB3 LYS 3 HB2 LYS 3 22.675 25.266 23.712
27 HG2 LYS 3 HG3 LYS 3 22.969 27.646 23.524
28 HG3 LYS 3 HG2 LYS 3 22.393 27.071 21.934
29 HD2 LYS 3 HD3 LYS 3 20.169 27.957 22.316
30 HD3 LYS 3 HD2 LYS 3 20.473 28.145 24.079
31 HE2 LYS 3 HE3 LYS 3 22.066 29.984 23.701
32 HE3 LYS 3 HE2 LYS 3 21.928 29.781 21.908
33 HZ1 LYS 3 HZ1 LYS 3 19.647 30.329 22.010
34 HZ2 LYS 3 HZ2 LYS 3 20.503 31.566 22.759
35 HZ3 LYS 3 HZ3 LYS 3 19.648 30.443 23.710
36 H CYS 4 H CYS 4 21.689 22.855 22.877
37 HA CYS 4 HA CYS 4 23.136 21.811 21.638
38 HB2 CYS 4 HB3 CYS 4 22.056 20.547 19.930
39 HB3 CYS 4 HB2 CYS 4 20.851 20.977 21.159
40 H GLY 5 H GLY 5 24.138 21.090 19.731
41 HA2 GLY 5 HA3 GLY 5 25.210 21.411 17.801
42 HA3 GLY 5 HA2 GLY 5 24.619 23.107 17.738
43 H LEU 6 H LEU 6 25.939 22.784 20.770
44 HA LEU 6 HA LEU 6 28.104 24.372 19.749
45 HB2 LEU 6 HB3 LEU 6 26.821 24.208 22.512
46 HB3 LEU 6 HB2 LEU 6 28.174 25.325 22.063
47 HG LEU 6 HG LEU 6 25.466 25.247 20.681
48 HD11 LEU 6 HD11 LEU 6 26.416 27.081 22.965
49 HD12 LEU 6 HD12 LEU 6 25.128 25.824 23.071
50 HD13 LEU 6 HD13 LEU 6 24.887 27.283 22.032
51 HD21 LEU 6 HD21 LEU 6 27.703 27.379 20.680
52 HD22 LEU 6 HD22 LEU 6 26.087 27.559 19.904
53 HD23 LEU 6 HD23 LEU 6 27.238 26.323 19.287
54 H CYS 7 H CYS 7 28.455 23.415 22.898
55 HA CYS 7 HA CYS 7 30.188 21.126 22.227
56 HB2 CYS 7 HB3 CYS 7 31.121 23.375 24.125
57 HB3 CYS 7 HB2 CYS 7 32.003 21.857 23.744
58 H ARG 8 H ARG 8 30.113 19.547 23.236
59 HA ARG 8 HA ARG 8 29.043 18.017 24.213
60 HB2 ARG 8 HB3 ARG 8 31.033 18.577 25.738
61 HB3 ARG 8 HB2 ARG 8 29.820 19.255 26.865
62 HG2 ARG 8 HG3 ARG 8 30.309 16.983 27.551
63 HG3 ARG 8 HG2 ARG 8 28.656 17.005 26.877
64 HD2 ARG 8 HD3 ARG 8 29.643 16.036 24.680
65 HD3 ARG 8 HD2 ARG 8 31.230 15.932 25.529
66 HE ARG 8 HE ARG 8 28.697 14.697 26.677
67 HH11 ARG 8 HH21 ARG 8 32.049 14.119 25.502
68 HH12 ARG 8 HH22 ARG 8 32.266 12.820 26.641
69 HH21 ARG 8 HH11 ARG 8 29.057 12.816 27.998
70 HH22 ARG 8 HH12 ARG 8 30.472 11.874 27.687
71 H TYR 9 H TYR 9 27.487 19.975 23.385
72 HA TYR 9 HA TYR 9 25.581 20.540 25.531
73 HB2 TYR 9 HB3 TYR 9 26.546 21.938 23.244
74 HB3 TYR 9 HB2 TYR 9 24.820 21.650 22.868
75 HD1 TYR 9 HD1 TYR 9 23.171 22.099 24.786
76 HD2 TYR 9 HD2 TYR 9 27.131 23.639 24.724
77 HE1 TYR 9 HE1 TYR 9 22.485 23.910 26.287
78 HE2 TYR 9 HE2 TYR 9 26.453 25.462 26.187
79 HH TYR 9 HH TYR 9 24.675 26.571 27.056
80 H ARG 10 H ARG 10 24.916 19.696 22.139
81 HA ARG 10 HA ARG 10 24.509 17.175 22.572
82 HB2 ARG 10 HB3 ARG 10 22.465 16.433 22.060
83 HB3 ARG 10 HB2 ARG 10 22.392 17.291 23.617
84 HG2 ARG 10 HG3 ARG 10 21.175 19.165 22.632
85 HG3 ARG 10 HG2 ARG 10 21.454 18.571 20.960
86 HD2 ARG 10 HD3 ARG 10 19.103 18.090 21.706
87 HD3 ARG 10 HD2 ARG 10 20.046 16.616 21.291
88 HE ARG 10 HE ARG 10 20.040 15.973 23.590
89 HH11 ARG 10 HH21 ARG 10 18.606 19.272 23.491
90 HH12 ARG 10 HH22 ARG 10 18.335 19.193 25.219
91 HH21 ARG 10 HH11 ARG 10 19.515 15.993 25.653
92 HH22 ARG 10 HH12 ARG 10 18.847 17.435 26.425
93 H CYS 11 H CYS 11 24.121 16.297 20.223
94 HA CYS 11 HA CYS 11 24.635 18.192 18.195
95 HB2 CYS 11 HB3 CYS 11 23.474 15.407 17.728
96 HB3 CYS 11 HB2 CYS 11 24.656 16.307 16.731
97 H CYS 12 H CYS 12 23.001 19.313 16.903
98 HA CYS 12 HA CYS 12 20.415 19.201 18.060
99 HB2 CYS 12 HB3 CYS 12 21.248 20.568 15.466
100 HB3 CYS 12 HB2 CYS 12 19.703 20.786 16.326
101 H SER 13 H SER 13 21.129 18.804 14.581
102 HA SER 13 HA SER 13 19.118 16.670 14.464
103 HB2 SER 13 HB3 SER 13 18.710 18.811 13.179
104 HB3 SER 13 HB2 SER 13 20.227 18.527 12.285
105 HG SER 13 HG SER 13 17.913 16.865 12.345
106 H GLY 14 H GLY 14 22.252 16.929 14.989
107 HA2 GLY 14 HA3 GLY 14 23.811 15.249 14.814
108 HA3 GLY 14 HA2 GLY 14 22.938 14.562 13.409
109 H GLY 15 H GLY 15 24.352 17.801 14.181
110 HA2 GLY 15 HA3 GLY 15 26.452 17.556 12.316
111 HA3 GLY 15 HA2 GLY 15 25.008 18.410 11.622
112 H CYS 16 H CYS 16 27.313 18.381 14.329
113 HA CYS 16 HA CYS 16 26.298 20.666 15.564
114 HB2 CYS 16 HB3 CYS 16 29.111 19.514 15.694
115 HB3 CYS 16 HB2 CYS 16 28.444 20.735 16.825
116 H SER 17 H SER 17 26.969 22.818 15.674
117 HA SER 17 HA SER 17 28.279 23.808 13.306
118 HB2 SER 17 HB3 SER 17 27.261 25.312 15.789
119 HB3 SER 17 HB2 SER 17 27.789 26.045 14.230
120 HG SER 17 HG SER 17 25.577 25.843 14.315
121 H SER 18 H SER 18 28.930 23.416 16.768
122 HA SER 18 HA SER 18 31.363 25.023 16.449
123 HB2 SER 18 HB3 SER 18 29.772 25.561 18.287
124 HB3 SER 18 HB2 SER 18 30.192 23.988 19.040
125 HG SER 18 HG SER 18 31.392 25.831 19.762
126 H GLY 19 H GLY 19 30.561 21.774 18.018
127 HA2 GLY 19 HA3 GLY 19 33.312 21.032 17.313
128 HA3 GLY 19 HA2 GLY 19 32.227 20.303 18.544
129 H LYS 20 H LYS 20 31.506 18.399 17.973
130 HA LYS 20 HA LYS 20 30.542 17.649 15.528
131 HB2 LYS 20 HB3 LYS 20 33.503 16.918 15.957
132 HB3 LYS 20 HB2 LYS 20 32.418 15.905 14.961
133 HG2 LYS 20 HG3 LYS 20 33.225 18.781 14.345
134 HG3 LYS 20 HG2 LYS 20 33.784 17.293 13.541
135 HD2 LYS 20 HD3 LYS 20 31.569 16.842 12.615
136 HD3 LYS 20 HD2 LYS 20 30.812 18.123 13.601
137 HE2 LYS 20 HE3 LYS 20 30.966 18.916 11.340
138 HE3 LYS 20 HE2 LYS 20 32.047 19.902 12.402
139 HZ1 LYS 20 HZ1 LYS 20 32.939 17.636 10.672
140 HZ2 LYS 20 HZ2 LYS 20 33.918 18.654 11.607
141 HZ3 LYS 20 HZ3 LYS 20 33.065 19.308 10.319
142 H CYS 21 H CYS 21 29.117 16.767 16.533
143 HA CYS 21 HA CYS 21 28.492 15.474 18.582
144 HB2 CYS 21 HB3 CYS 21 27.329 15.602 16.237
145 HB3 CYS 21 HB2 CYS 21 28.164 14.084 15.846
146 H VAL 22 H VAL 22 29.231 14.124 20.029
147 HA VAL 22 HA VAL 22 31.228 12.295 19.332
148 HB VAL 22 HB VAL 22 31.026 13.464 21.505
149 HG11 VAL 22 HG11 VAL 22 28.614 12.933 22.098
150 HG12 VAL 22 HG12 VAL 22 29.808 12.424 23.336
151 HG13 VAL 22 HG13 VAL 22 29.094 11.189 22.266
152 HG21 VAL 22 HG21 VAL 22 32.019 11.515 22.714
153 HG22 VAL 22 HG22 VAL 22 32.641 11.620 21.024
154 HG23 VAL 22 HG23 VAL 22 31.396 10.387 21.470
155 H ASN 23 H ASN 23 27.878 12.188 19.891
156 HA ASN 23 HA ASN 23 27.095 10.097 18.389
157 HB2 ASN 23 HB3 ASN 23 28.330 8.627 20.142
158 HB3 ASN 23 HB2 ASN 23 27.173 9.228 21.371
159 HD21 ASN 23 HD21 ASN 23 25.190 8.118 21.491
160 HD22 ASN 23 HD22 ASN 23 24.776 6.821 20.394
161 H GLY 24 H GLY 24 26.812 11.835 21.456
162 HA2 GLY 24 HA3 GLY 24 24.067 12.609 20.779
163 HA3 GLY 24 HA2 GLY 24 24.477 11.800 22.326
164 H ALA 25 H ALA 25 26.921 13.923 21.207
165 HA ALA 25 HA ALA 25 25.884 16.369 21.727
166 HB1 ALA 25 HB1 ALA 25 25.826 15.810 24.199
167 HB2 ALA 25 HB2 ALA 25 27.119 16.994 23.854
168 HB3 ALA 25 HB3 ALA 25 27.525 15.238 24.114
169 H CYS 26 H CYS 26 27.196 17.879 21.088
170 HA CYS 26 HA CYS 26 29.208 17.129 19.396
171 HB2 CYS 26 HB3 CYS 26 28.784 19.862 20.724
172 HB3 CYS 26 HB2 CYS 26 29.617 19.625 19.154
173 H ASP 27 H ASP 27 31.120 16.362 19.572
174 HA ASP 27 HA ASP 27 32.675 16.837 21.867
175 HB2 ASP 27 HB3 ASP 27 32.180 14.631 20.355
176 HB3 ASP 27 HB2 ASP 27 33.646 15.178 19.496
177 H CYS 28 H CYS 28 32.900 18.911 21.613
178 HA CYS 28 HA CYS 28 34.715 20.078 19.741
179 HB2 CYS 28 HB3 CYS 28 33.968 21.022 22.576
180 HB3 CYS 28 HB2 CYS 28 34.937 21.974 21.404
181 H SER 29 H SER 29 34.862 18.472 22.774
182 HA SER 29 HA SER 29 37.014 18.585 24.026
183 HB2 SER 29 HB3 SER 29 35.222 16.863 24.212
184 HB3 SER 29 HB2 SER 29 35.896 16.032 22.786
185 HG SER 29 HG SER 29 36.861 14.976 24.227
Start of MODEL 15
1 H1 LYS 1 H1 LYS 1 17.363 25.262 29.835
2 H2 LYS 1 H2 LYS 1 18.847 25.207 29.044
3 H3 LYS 1 H3 LYS 1 18.412 23.990 30.118
4 HA LYS 1 HA LYS 1 16.908 23.055 28.661
5 HB2 LYS 1 HB3 LYS 1 15.881 24.288 26.779
6 HB3 LYS 1 HB2 LYS 1 15.723 25.224 28.274
7 HG2 LYS 1 HG3 LYS 1 17.755 26.622 27.530
8 HG3 LYS 1 HG2 LYS 1 17.789 25.670 26.017
9 HD2 LYS 1 HD3 LYS 1 16.676 27.664 25.488
10 HD3 LYS 1 HD2 LYS 1 15.401 26.409 25.557
11 HE2 LYS 1 HE3 LYS 1 14.679 27.215 27.802
12 HE3 LYS 1 HE2 LYS 1 16.068 28.382 27.862
13 HZ1 LYS 1 HZ1 LYS 1 15.137 29.429 25.849
14 HZ2 LYS 1 HZ2 LYS 1 14.095 29.521 27.162
15 HZ3 LYS 1 HZ3 LYS 1 13.780 28.404 25.953
16 HA PRO 2 HA PRO 2 19.983 22.231 25.475
17 HB2 PRO 2 HB3 PRO 2 17.715 21.597 23.561
18 HB3 PRO 2 HB2 PRO 2 19.237 20.680 23.918
19 HG2 PRO 2 HG3 PRO 2 16.792 19.872 24.966
20 HG3 PRO 2 HG2 PRO 2 18.293 19.831 25.987
21 HD2 PRO 2 HD3 PRO 2 16.153 22.046 25.897
22 HD3 PRO 2 HD2 PRO 2 16.870 21.217 27.356
23 H LYS 3 H LYS 3 20.959 23.891 24.704
24 HA LYS 3 HA LYS 3 19.628 25.665 22.772
25 HB2 LYS 3 HB3 LYS 3 21.308 26.359 24.656
26 HB3 LYS 3 HB2 LYS 3 22.577 25.735 23.580
27 HG2 LYS 3 HG3 LYS 3 20.522 27.969 22.987
28 HG3 LYS 3 HG2 LYS 3 22.226 28.204 23.453
29 HD2 LYS 3 HD3 LYS 3 22.849 26.917 21.257
30 HD3 LYS 3 HD2 LYS 3 21.112 27.020 20.851
31 HE2 LYS 3 HE3 LYS 3 22.075 28.828 19.667
32 HE3 LYS 3 HE2 LYS 3 21.260 29.564 21.102
33 HZ1 LYS 3 HZ1 LYS 3 24.130 29.224 20.526
34 HZ2 LYS 3 HZ2 LYS 3 23.636 29.332 22.151
35 HZ3 LYS 3 HZ3 LYS 3 23.318 30.568 21.057
36 H CYS 4 H CYS 4 22.027 23.163 23.164
37 HA CYS 4 HA CYS 4 23.047 21.775 21.895
38 HB2 CYS 4 HB3 CYS 4 21.857 20.512 20.270
39 HB3 CYS 4 HB2 CYS 4 20.719 21.027 21.549
40 H GLY 5 H GLY 5 24.055 20.994 20.054
41 HA2 GLY 5 HA3 GLY 5 25.239 21.228 18.156
42 HA3 GLY 5 HA2 GLY 5 24.543 22.871 17.934
43 H LEU 6 H LEU 6 25.798 22.701 21.104
44 HA LEU 6 HA LEU 6 27.781 24.526 20.139
45 HB2 LEU 6 HB3 LEU 6 26.629 24.018 22.945
46 HB3 LEU 6 HB2 LEU 6 27.849 25.283 22.531
47 HG LEU 6 HG LEU 6 25.075 25.085 21.320
48 HD11 LEU 6 HD11 LEU 6 24.489 26.968 22.911
49 HD12 LEU 6 HD12 LEU 6 26.121 26.826 23.658
50 HD13 LEU 6 HD13 LEU 6 24.947 25.462 23.793
51 HD21 LEU 6 HD21 LEU 6 27.156 27.370 21.300
52 HD22 LEU 6 HD22 LEU 6 25.466 27.483 20.675
53 HD23 LEU 6 HD23 LEU 6 26.643 26.381 19.876
54 H CYS 7 H CYS 7 28.336 23.459 23.223
55 HA CYS 7 HA CYS 7 30.029 21.179 22.405
56 HB2 CYS 7 HB3 CYS 7 31.070 23.418 24.265
57 HB3 CYS 7 HB2 CYS 7 31.938 21.917 23.796
58 H ARG 8 H ARG 8 30.077 19.565 23.516
59 HA ARG 8 HA ARG 8 29.539 18.051 24.948
60 HB2 ARG 8 HB3 ARG 8 30.976 19.778 26.342
61 HB3 ARG 8 HB2 ARG 8 29.456 20.053 27.221
62 HG2 ARG 8 HG3 ARG 8 29.452 17.516 27.735
63 HG3 ARG 8 HG2 ARG 8 30.987 17.391 26.835
64 HD2 ARG 8 HD3 ARG 8 31.419 17.499 29.294
65 HD3 ARG 8 HD2 ARG 8 32.103 18.946 28.442
66 HE ARG 8 HE ARG 8 29.296 19.102 29.509
67 HH11 ARG 8 HH11 ARG 8 32.693 20.178 30.132
68 HH12 ARG 8 HH12 ARG 8 32.119 21.651 30.826
69 HH21 ARG 8 HH21 ARG 8 28.760 21.226 30.167
70 HH22 ARG 8 HH22 ARG 8 30.016 22.308 30.666
71 H TYR 9 H TYR 9 27.486 19.925 23.706
72 HA TYR 9 HA TYR 9 25.730 20.351 25.946
73 HB2 TYR 9 HB3 TYR 9 26.595 21.940 23.961
74 HB3 TYR 9 HB2 TYR 9 25.086 21.468 23.163
75 HD1 TYR 9 HD2 TYR 9 22.947 21.669 24.670
76 HD2 TYR 9 HD1 TYR 9 26.659 23.518 25.592
77 HE1 TYR 9 HE2 TYR 9 21.802 23.240 26.182
78 HE2 TYR 9 HE1 TYR 9 25.511 25.118 27.035
79 HH TYR 9 HH TYR 9 23.446 25.351 28.273
80 H ARG 10 H ARG 10 24.787 19.666 22.612
81 HA ARG 10 HA ARG 10 24.360 17.105 22.930
82 HB2 ARG 10 HB3 ARG 10 22.239 16.543 22.301
83 HB3 ARG 10 HB2 ARG 10 22.258 17.176 23.963
84 HG2 ARG 10 HG3 ARG 10 21.149 19.220 23.351
85 HG3 ARG 10 HG2 ARG 10 21.425 18.950 21.598
86 HD2 ARG 10 HD3 ARG 10 19.626 17.052 23.225
87 HD3 ARG 10 HD2 ARG 10 19.019 18.573 22.444
88 HE ARG 10 HE ARG 10 20.623 17.163 20.518
89 HH11 ARG 10 HH21 ARG 10 17.298 17.022 21.902
90 HH12 ARG 10 HH22 ARG 10 16.664 16.748 20.314
91 HH21 ARG 10 HH11 ARG 10 19.690 16.533 18.628
92 HH22 ARG 10 HH12 ARG 10 18.022 16.014 18.631
93 H CYS 11 H CYS 11 23.943 16.469 20.449
94 HA CYS 11 HA CYS 11 24.623 18.570 18.678
95 HB2 CYS 11 HB3 CYS 11 23.428 15.919 17.773
96 HB3 CYS 11 HB2 CYS 11 24.741 16.883 17.029
97 H CYS 12 H CYS 12 23.113 19.609 17.062
98 HA CYS 12 HA CYS 12 20.379 19.494 18.034
99 HB2 CYS 12 HB3 CYS 12 21.527 21.125 15.738
100 HB3 CYS 12 HB2 CYS 12 19.830 21.138 16.291
101 H SER 13 H SER 13 21.383 19.486 14.577
102 HA SER 13 HA SER 13 19.351 17.476 14.187
103 HB2 SER 13 HB3 SER 13 19.567 19.630 12.839
104 HB3 SER 13 HB2 SER 13 20.967 18.870 12.022
105 HG SER 13 HG SER 13 18.814 18.605 11.071
106 H GLY 14 H GLY 14 22.492 17.331 14.996
107 HA2 GLY 14 HA3 GLY 14 23.777 15.413 15.039
108 HA3 GLY 14 HA2 GLY 14 22.935 14.792 13.584
109 H GLY 15 H GLY 15 24.426 17.992 14.115
110 HA2 GLY 15 HA3 GLY 15 26.713 17.568 12.542
111 HA3 GLY 15 HA2 GLY 15 25.332 18.286 11.605
112 H CYS 16 H CYS 16 27.477 18.643 14.324
113 HA CYS 16 HA CYS 16 26.406 20.744 15.666
114 HB2 CYS 16 HB3 CYS 16 29.333 19.957 15.249
115 HB3 CYS 16 HB2 CYS 16 28.825 21.191 16.442
116 H SER 17 H SER 17 27.386 22.900 16.145
117 HA SER 17 HA SER 17 27.487 24.472 13.787
118 HB2 SER 17 HB3 SER 17 28.092 25.222 16.705
119 HB3 SER 17 HB2 SER 17 27.754 26.358 15.343
120 HG SER 17 HG SER 17 25.887 26.035 16.467
121 H SER 18 H SER 18 29.759 23.003 15.981
122 HA SER 18 HA SER 18 31.956 23.942 14.290
123 HB2 SER 18 HB3 SER 18 31.484 25.648 16.139
124 HB3 SER 18 HB2 SER 18 32.008 24.396 17.302
125 HG SER 18 HG SER 18 33.489 25.537 15.165
126 H GLY 19 H GLY 19 31.237 21.832 17.196
127 HA2 GLY 19 HA3 GLY 19 33.822 20.669 16.849
128 HA3 GLY 19 HA2 GLY 19 32.548 20.302 18.063
129 H LYS 20 H LYS 20 31.370 18.400 17.808
130 HA LYS 20 HA LYS 20 30.880 17.163 15.500
131 HB2 LYS 20 HB3 LYS 20 33.426 16.867 15.166
132 HB3 LYS 20 HB2 LYS 20 33.449 15.930 16.686
133 HG2 LYS 20 HG3 LYS 20 31.799 14.310 15.628
134 HG3 LYS 20 HG2 LYS 20 31.844 15.279 14.124
135 HD2 LYS 20 HD3 LYS 20 34.344 14.824 13.995
136 HD3 LYS 20 HD2 LYS 20 34.194 13.775 15.434
137 HE2 LYS 20 HE3 LYS 20 32.783 13.347 12.699
138 HE3 LYS 20 HE2 LYS 20 34.205 12.426 13.341
139 HZ1 LYS 20 HZ1 LYS 20 32.667 11.896 15.281
140 HZ2 LYS 20 HZ2 LYS 20 32.319 11.134 13.807
141 HZ3 LYS 20 HZ3 LYS 20 31.403 12.449 14.328
142 H CYS 21 H CYS 21 29.154 16.589 16.393
143 HA CYS 21 HA CYS 21 28.347 15.613 18.671
144 HB2 CYS 21 HB3 CYS 21 27.088 15.890 16.436
145 HB3 CYS 21 HB2 CYS 21 27.758 14.333 15.912
146 H VAL 22 H VAL 22 29.057 14.223 20.108
147 HA VAL 22 HA VAL 22 30.932 12.348 19.385
148 HB VAL 22 HB VAL 22 30.646 13.672 21.535
149 HG11 VAL 22 HG11 VAL 22 28.413 12.779 22.270
150 HG12 VAL 22 HG12 VAL 22 29.728 12.502 23.457
151 HG13 VAL 22 HG13 VAL 22 29.157 11.137 22.449
152 HG21 VAL 22 HG21 VAL 22 32.521 12.104 20.947
153 HG22 VAL 22 HG22 VAL 22 31.554 10.728 21.611
154 HG23 VAL 22 HG23 VAL 22 32.098 12.057 22.695
155 H ASN 23 H ASN 23 27.608 12.173 19.846
156 HA ASN 23 HA ASN 23 26.897 9.866 18.739
157 HB2 ASN 23 HB3 ASN 23 28.237 8.665 20.623
158 HB3 ASN 23 HB2 ASN 23 27.112 9.419 21.802
159 HD21 ASN 23 HD21 ASN 23 26.934 7.602 18.625
160 HD22 ASN 23 HD22 ASN 23 25.695 6.521 19.142
161 H GLY 24 H GLY 24 26.574 12.062 21.465
162 HA2 GLY 24 HA3 GLY 24 23.952 12.820 20.533
163 HA3 GLY 24 HA2 GLY 24 24.000 11.953 22.111
164 H ALA 25 H ALA 25 26.766 13.949 21.352
165 HA ALA 25 HA ALA 25 25.720 16.382 21.983
166 HB1 ALA 25 HB1 ALA 25 27.384 15.083 24.259
167 HB2 ALA 25 HB2 ALA 25 25.663 15.589 24.413
168 HB3 ALA 25 HB3 ALA 25 26.938 16.832 24.149
169 H CYS 26 H CYS 26 27.056 17.880 21.394
170 HA CYS 26 HA CYS 26 29.067 17.203 19.628
171 HB2 CYS 26 HB3 CYS 26 27.534 19.331 19.926
172 HB3 CYS 26 HB2 CYS 26 28.874 19.931 20.953
173 H ASP 27 H ASP 27 30.982 16.555 19.684
174 HA ASP 27 HA ASP 27 32.599 16.996 22.001
175 HB2 ASP 27 HB3 ASP 27 32.230 14.670 20.896
176 HB3 ASP 27 HB2 ASP 27 33.317 15.233 19.584
177 H CYS 28 H CYS 28 32.831 19.034 21.738
178 HA CYS 28 HA CYS 28 34.339 20.280 19.669
179 HB2 CYS 28 HB3 CYS 28 33.691 21.142 22.535
180 HB3 CYS 28 HB2 CYS 28 34.593 22.196 21.395
181 H SER 29 H SER 29 35.129 18.324 22.301
182 HA SER 29 HA SER 29 37.459 18.971 23.238
183 HB2 SER 29 HB3 SER 29 36.249 16.883 23.746
184 HB3 SER 29 HB2 SER 29 36.747 16.195 22.169
185 HG SER 29 HG SER 29 38.887 16.356 22.869