Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
639362 | 6nw8 RC | 30568 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H1 LEU 1 2.773 1.076 6.131
2 H2 LEU 1 H2 LEU 1 2.049 1.740 4.757
3 H3 LEU 1 H3 LEU 1 3.487 2.399 5.357
4 HA LEU 1 HA LEU 1 3.929 1.078 3.411
5 HB2 LEU 1 HB2 LEU 1 5.617 1.147 5.191
6 HB3 LEU 1 HB3 LEU 1 4.852 -0.216 5.981
7 HG LEU 1 HG LEU 1 5.407 -1.622 3.996
8 HD11 LEU 1 HD11 LEU 1 7.139 -0.778 2.448
9 HD12 LEU 1 HD12 LEU 1 6.947 0.829 3.149
10 HD13 LEU 1 HD13 LEU 1 5.604 0.073 2.294
11 HD21 LEU 1 HD21 LEU 1 7.708 -0.275 5.398
12 HD22 LEU 1 HD22 LEU 1 7.796 -1.804 4.527
13 HD23 LEU 1 HD23 LEU 1 6.799 -1.671 5.973
14 H CYS 2 H CYS 2 3.321 -0.546 2.146
15 HA CYS 2 HA CYS 2 1.598 -2.628 3.292
16 HB2 CYS 2 HB2 CYS 2 1.675 -1.598 0.453
17 HB3 CYS 2 HB3 CYS 2 0.485 -2.699 1.143
18 H LEU 3 H LEU 3 2.352 -4.636 3.241
19 HA LEU 3 HA LEU 3 4.428 -5.293 1.261
20 HB2 LEU 3 HB2 LEU 3 4.187 -6.292 4.097
21 HB3 LEU 3 HB3 LEU 3 5.366 -6.862 2.932
22 HG LEU 3 HG LEU 3 5.192 -4.045 4.006
23 HD11 LEU 3 HD11 LEU 3 7.147 -6.256 4.613
24 HD12 LEU 3 HD12 LEU 3 5.923 -5.618 5.709
25 HD13 LEU 3 HD13 LEU 3 7.259 -4.594 5.188
26 HD21 LEU 3 HD21 LEU 3 7.403 -3.782 2.921
27 HD22 LEU 3 HD22 LEU 3 6.092 -4.036 1.772
28 HD23 LEU 3 HD23 LEU 3 7.186 -5.361 2.166
29 H SER 4 H SER 4 2.043 -6.815 3.433
30 HA SER 4 HA SER 4 1.795 -9.024 1.539
31 HB2 SER 4 HB2 SER 4 0.682 -8.713 4.334
32 HB3 SER 4 HB3 SER 4 0.608 -10.174 3.348
33 HG SER 4 HG SER 4 2.669 -9.175 4.843
34 H CYS 5 H CYS 5 0.759 -6.659 0.617
35 HA CYS 5 HA CYS 5 -1.993 -7.404 0.206
36 HB2 CYS 5 HB2 CYS 5 -2.664 -4.946 0.692
37 HB3 CYS 5 HB3 CYS 5 -2.498 -6.068 2.036
38 H ARG 6 H ARG 6 -2.965 -6.280 -1.564
39 HA ARG 6 HA ARG 6 -0.949 -5.554 -3.542
40 HB2 ARG 6 HB2 ARG 6 -3.912 -6.058 -3.860
41 HB3 ARG 6 HB3 ARG 6 -2.764 -5.831 -5.172
42 HG2 ARG 6 HG2 ARG 6 -1.562 -7.865 -4.367
43 HG3 ARG 6 HG3 ARG 6 -2.879 -8.117 -3.221
44 HD2 ARG 6 HD2 ARG 6 -3.332 -9.480 -5.114
45 HD3 ARG 6 HD3 ARG 6 -4.451 -8.119 -5.178
46 HE ARG 6 HE ARG 6 -2.149 -7.490 -6.669
47 HH11 ARG 6 HH11 ARG 6 -4.954 -9.577 -6.792
48 HH12 ARG 6 HH12 ARG 6 -4.965 -9.678 -8.523
49 HH21 ARG 6 HH21 ARG 6 -2.145 -7.631 -8.948
50 HH22 ARG 6 HH22 ARG 6 -3.372 -8.561 -9.748
51 H GLY 7 H GLY 7 -1.033 -3.648 -4.750
52 HA2 GLY 7 HA2 GLY 7 -2.941 -1.602 -4.111
53 HA3 GLY 7 HA3 GLY 7 -1.371 -1.329 -3.370
54 H GLY 8 H GLY 8 -1.589 0.641 -4.718
55 HA2 GLY 8 HA2 GLY 8 -1.322 0.356 -7.563
56 HA3 GLY 8 HA3 GLY 8 -1.248 1.851 -6.651
57 H ASP 9 H ASP 9 0.544 2.805 -7.278
58 HA ASP 9 HA ASP 9 2.865 1.460 -8.173
59 HB2 ASP 9 HB2 ASP 9 2.267 3.711 -8.947
60 HB3 ASP 9 HB3 ASP 9 2.498 4.339 -7.322
61 H TYR 10 H TYR 10 5.024 1.599 -7.220
62 HA TYR 10 HA TYR 10 5.273 0.572 -4.707
63 HB2 TYR 10 HB2 TYR 10 7.117 0.574 -6.275
64 HB3 TYR 10 HB3 TYR 10 7.225 2.327 -6.193
65 HD1 TYR 10 HD1 TYR 10 8.575 3.368 -4.587
66 HD2 TYR 10 HD2 TYR 10 7.602 -0.748 -4.157
67 HE1 TYR 10 HE1 TYR 10 10.179 3.190 -2.735
68 HE2 TYR 10 HE2 TYR 10 9.204 -0.940 -2.301
69 HH TYR 10 HH TYR 10 11.200 0.206 -1.461
70 H ASP 11 H ASP 11 5.568 3.993 -5.607
71 HA ASP 11 HA ASP 11 6.161 5.043 -3.102
72 HB2 ASP 11 HB2 ASP 11 6.270 6.317 -5.213
73 HB3 ASP 11 HB3 ASP 11 4.516 6.301 -5.302
74 H CYS 12 H CYS 12 3.088 4.158 -4.519
75 HA CYS 12 HA CYS 12 1.444 5.271 -2.481
76 HB2 CYS 12 HB2 CYS 12 0.453 4.898 -4.618
77 HB3 CYS 12 HB3 CYS 12 0.979 3.221 -4.644
78 H ARG 13 H ARG 13 3.132 2.259 -2.930
79 HA ARG 13 HA ARG 13 1.666 0.865 -0.871
80 HB2 ARG 13 HB2 ARG 13 4.265 0.102 -2.212
81 HB3 ARG 13 HB3 ARG 13 3.230 -0.957 -1.266
82 HG2 ARG 13 HG2 ARG 13 1.443 -0.636 -2.949
83 HG3 ARG 13 HG3 ARG 13 2.575 0.313 -3.915
84 HD2 ARG 13 HD2 ARG 13 4.077 -1.648 -4.007
85 HD3 ARG 13 HD3 ARG 13 2.871 -2.585 -3.125
86 HE ARG 13 HE ARG 13 1.989 -1.334 -5.600
87 HH11 ARG 13 HH11 ARG 13 3.158 -4.224 -4.007
88 HH12 ARG 13 HH12 ARG 13 2.578 -5.287 -5.244
89 HH21 ARG 13 HH21 ARG 13 1.227 -2.730 -7.227
90 HH22 ARG 13 HH22 ARG 13 1.485 -4.439 -7.081
91 H VAL 14 H VAL 14 4.400 2.928 -1.045
92 HA VAL 14 HA VAL 14 5.624 2.006 1.380
93 HB VAL 14 HB VAL 14 6.091 4.529 -0.210
94 HG11 VAL 14 HG11 VAL 14 8.191 4.701 1.047
95 HG12 VAL 14 HG12 VAL 14 7.713 3.316 2.027
96 HG13 VAL 14 HG13 VAL 14 6.787 4.816 2.110
97 HG21 VAL 14 HG21 VAL 14 7.620 1.936 -0.106
98 HG22 VAL 14 HG22 VAL 14 8.088 3.373 -1.013
99 HG23 VAL 14 HG23 VAL 14 6.619 2.498 -1.444
100 H LYS 15 H LYS 15 3.734 4.847 0.422
101 HA LYS 15 HA LYS 15 3.578 5.678 3.215
102 HB2 LYS 15 HB2 LYS 15 2.608 7.756 2.333
103 HB3 LYS 15 HB3 LYS 15 4.154 7.383 1.586
104 HG2 LYS 15 HG2 LYS 15 3.114 6.663 -0.419
105 HG3 LYS 15 HG3 LYS 15 1.518 6.715 0.325
106 HD2 LYS 15 HD2 LYS 15 1.949 8.642 -1.160
107 HD3 LYS 15 HD3 LYS 15 1.628 9.116 0.507
108 HE2 LYS 15 HE2 LYS 15 3.477 10.400 -0.442
109 HE3 LYS 15 HE3 LYS 15 4.017 9.400 0.902
110 HZ1 LYS 15 HZ1 LYS 15 5.544 9.348 -0.990
111 HZ2 LYS 15 HZ2 LYS 15 4.329 8.689 -1.969
112 HZ3 LYS 15 HZ3 LYS 15 4.920 7.817 -0.644
113 H GLY 16 H GLY 16 1.970 3.515 1.535
114 HA2 GLY 16 HA2 GLY 16 -0.721 4.428 2.189
115 HA3 GLY 16 HA3 GLY 16 -0.311 3.023 1.214
116 H THR 17 H THR 17 -2.186 3.154 3.354
117 HA THR 17 HA THR 17 -0.957 1.588 5.476
118 HB THR 17 HB THR 17 -3.378 1.606 6.355
119 HG1 THR 17 HG1 THR 17 -4.524 2.300 4.600
120 HG21 THR 17 HG21 THR 17 -1.834 4.189 6.110
121 HG22 THR 17 HG22 THR 17 -1.608 2.954 7.347
122 HG23 THR 17 HG23 THR 17 -3.112 3.872 7.284
123 H CYS 18 H CYS 18 -1.142 -0.553 5.627
124 HA CYS 18 HA CYS 18 -2.389 -1.958 3.420
125 HB2 CYS 18 HB2 CYS 18 -0.107 -2.534 4.230
126 HB3 CYS 18 HB3 CYS 18 -0.813 -3.045 5.758
127 H GLU 19 H GLU 19 -4.507 -2.346 3.572
128 HA GLU 19 HA GLU 19 -5.503 -3.525 6.070
129 HB2 GLU 19 HB2 GLU 19 -6.853 -1.323 4.513
130 HB3 GLU 19 HB3 GLU 19 -7.621 -2.240 5.796
131 HG2 GLU 19 HG2 GLU 19 -5.834 -1.410 7.337
132 HG3 GLU 19 HG3 GLU 19 -5.291 -0.359 6.032
133 H ASN 20 H ASN 20 -6.474 -5.367 5.720
134 HA ASN 20 HA ASN 20 -7.678 -7.050 4.800
135 HB2 ASN 20 HB2 ASN 20 -9.055 -4.753 3.406
136 HB3 ASN 20 HB3 ASN 20 -9.674 -6.399 3.487
137 HD21 ASN 20 HD21 ASN 20 -10.499 -7.168 5.423
138 HD22 ASN 20 HD22 ASN 20 -10.883 -6.117 6.740
139 H GLY 21 H GLY 21 -5.240 -6.602 3.539
140 HA2 GLY 21 HA2 GLY 21 -4.153 -7.548 1.735
141 HA3 GLY 21 HA3 GLY 21 -5.723 -7.998 1.084
142 H LYS 22 H LYS 22 -5.671 -4.728 1.822
143 HA LYS 22 HA LYS 22 -4.895 -4.041 -0.929
144 HB2 LYS 22 HB2 LYS 22 -7.314 -3.145 0.623
145 HB3 LYS 22 HB3 LYS 22 -6.718 -2.261 -0.770
146 HG2 LYS 22 HG2 LYS 22 -7.520 -5.160 -0.841
147 HG3 LYS 22 HG3 LYS 22 -8.599 -3.824 -1.246
148 HD2 LYS 22 HD2 LYS 22 -5.971 -4.383 -2.622
149 HD3 LYS 22 HD3 LYS 22 -7.548 -4.890 -3.228
150 HE2 LYS 22 HE2 LYS 22 -8.253 -2.530 -3.308
151 HE3 LYS 22 HE3 LYS 22 -6.651 -2.046 -2.754
152 HZ1 LYS 22 HZ1 LYS 22 -5.703 -2.997 -4.750
153 HZ2 LYS 22 HZ2 LYS 22 -6.878 -1.851 -5.152
154 HZ3 LYS 22 HZ3 LYS 22 -7.228 -3.501 -5.276
155 H CYS 23 H CYS 23 -3.617 -2.348 -1.173
156 HA CYS 23 HA CYS 23 -2.701 -0.924 1.185
157 HB2 CYS 23 HB2 CYS 23 -1.166 -1.782 -0.647
158 HB3 CYS 23 HB3 CYS 23 -1.828 -0.513 -1.669
159 H VAL 24 H VAL 24 -3.306 1.073 1.732
160 HA VAL 24 HA VAL 24 -4.952 2.587 -0.194
161 HB VAL 24 HB VAL 24 -5.206 2.762 2.800
162 HG11 VAL 24 HG11 VAL 24 -7.369 3.764 2.294
163 HG12 VAL 24 HG12 VAL 24 -7.076 3.545 0.570
164 HG13 VAL 24 HG13 VAL 24 -6.065 4.648 1.501
165 HG21 VAL 24 HG21 VAL 24 -6.800 1.021 0.927
166 HG22 VAL 24 HG22 VAL 24 -7.190 1.318 2.619
167 HG23 VAL 24 HG23 VAL 24 -5.705 0.468 2.194
168 H CYS 25 H CYS 25 -3.573 4.113 -0.950
169 HA CYS 25 HA CYS 25 -1.905 5.541 0.987
170 HB2 CYS 25 HB2 CYS 25 -0.719 6.417 -1.043
171 HB3 CYS 25 HB3 CYS 25 -0.608 4.675 -0.822
172 H GLY 26 H GLY 26 -4.132 6.427 1.588
173 HA2 GLY 26 HA2 GLY 26 -4.356 9.061 0.418
174 HA3 GLY 26 HA3 GLY 26 -5.763 8.035 0.178
175 H SER 27 H SER 27 -7.076 9.409 1.425
176 HA SER 27 HA SER 27 -6.936 8.871 4.263
177 HB2 SER 27 HB2 SER 27 -6.910 11.723 3.233
178 HB3 SER 27 HB3 SER 27 -7.094 11.243 4.919
179 HG SER 27 HG SER 27 -4.921 10.060 3.879
Start of MODEL 2
1 H1 LEU 1 H1 LEU 1 1.899 1.323 4.835
2 H2 LEU 1 H2 LEU 1 3.261 1.632 5.789
3 H3 LEU 1 H3 LEU 1 2.283 0.294 6.121
4 HA LEU 1 HA LEU 1 3.872 0.680 3.657
5 HB2 LEU 1 HB2 LEU 1 4.321 -1.018 6.108
6 HB3 LEU 1 HB3 LEU 1 5.126 -1.325 4.583
7 HG LEU 1 HG LEU 1 5.381 1.253 6.133
8 HD11 LEU 1 HD11 LEU 1 7.253 -1.107 5.991
9 HD12 LEU 1 HD12 LEU 1 6.315 -0.609 7.399
10 HD13 LEU 1 HD13 LEU 1 7.589 0.436 6.776
11 HD21 LEU 1 HD21 LEU 1 6.916 0.140 3.785
12 HD22 LEU 1 HD22 LEU 1 7.299 1.629 4.648
13 HD23 LEU 1 HD23 LEU 1 5.791 1.497 3.744
14 H CYS 2 H CYS 2 3.461 -0.714 2.052
15 HA CYS 2 HA CYS 2 1.450 -2.809 2.566
16 HB2 CYS 2 HB2 CYS 2 1.972 -1.449 -0.076
17 HB3 CYS 2 HB3 CYS 2 0.623 -2.493 0.340
18 H LEU 3 H LEU 3 2.905 -4.440 2.989
19 HA LEU 3 HA LEU 3 5.042 -4.956 1.091
20 HB2 LEU 3 HB2 LEU 3 4.313 -6.232 3.724
21 HB3 LEU 3 HB3 LEU 3 5.595 -6.835 2.697
22 HG LEU 3 HG LEU 3 6.697 -4.573 2.915
23 HD11 LEU 3 HD11 LEU 3 4.691 -4.240 5.134
24 HD12 LEU 3 HD12 LEU 3 4.737 -3.308 3.639
25 HD13 LEU 3 HD13 LEU 3 6.061 -3.181 4.799
26 HD21 LEU 3 HD21 LEU 3 7.447 -6.536 4.149
27 HD22 LEU 3 HD22 LEU 3 6.290 -6.177 5.431
28 HD23 LEU 3 HD23 LEU 3 7.623 -5.068 5.109
29 H SER 4 H SER 4 2.477 -6.919 2.608
30 HA SER 4 HA SER 4 2.676 -8.860 0.467
31 HB2 SER 4 HB2 SER 4 0.711 -8.813 2.761
32 HB3 SER 4 HB3 SER 4 1.171 -10.199 1.776
33 HG SER 4 HG SER 4 3.415 -9.358 2.702
34 H CYS 5 H CYS 5 0.616 -6.229 1.412
35 HA CYS 5 HA CYS 5 -1.541 -7.062 -0.333
36 HB2 CYS 5 HB2 CYS 5 -2.571 -4.887 0.489
37 HB3 CYS 5 HB3 CYS 5 -2.280 -6.125 1.709
38 H ARG 6 H ARG 6 -2.128 -6.110 -2.199
39 HA ARG 6 HA ARG 6 -0.279 -4.108 -3.312
40 HB2 ARG 6 HB2 ARG 6 -1.965 -6.205 -4.686
41 HB3 ARG 6 HB3 ARG 6 -1.145 -4.914 -5.545
42 HG2 ARG 6 HG2 ARG 6 0.274 -6.727 -5.774
43 HG3 ARG 6 HG3 ARG 6 0.992 -5.805 -4.457
44 HD2 ARG 6 HD2 ARG 6 0.979 -8.191 -3.954
45 HD3 ARG 6 HD3 ARG 6 -0.050 -7.301 -2.833
46 HE ARG 6 HE ARG 6 -1.724 -8.130 -4.848
47 HH11 ARG 6 HH11 ARG 6 0.420 -9.702 -2.570
48 HH12 ARG 6 HH12 ARG 6 -0.527 -11.151 -2.492
49 HH21 ARG 6 HH21 ARG 6 -2.984 -10.024 -4.725
50 HH22 ARG 6 HH22 ARG 6 -2.458 -11.340 -3.728
51 H GLY 7 H GLY 7 -1.706 -3.156 -5.386
52 HA2 GLY 7 HA2 GLY 7 -3.953 -2.261 -5.842
53 HA3 GLY 7 HA3 GLY 7 -4.123 -2.035 -4.105
54 H GLY 8 H GLY 8 -1.274 -1.351 -6.008
55 HA2 GLY 8 HA2 GLY 8 -1.430 1.248 -6.667
56 HA3 GLY 8 HA3 GLY 8 -1.161 1.321 -4.931
57 H ASP 9 H ASP 9 0.626 2.313 -6.901
58 HA ASP 9 HA ASP 9 2.708 0.398 -7.345
59 HB2 ASP 9 HB2 ASP 9 2.644 3.393 -7.712
60 HB3 ASP 9 HB3 ASP 9 4.007 2.377 -8.162
61 H TYR 10 H TYR 10 5.046 1.329 -6.786
62 HA TYR 10 HA TYR 10 5.500 0.818 -4.119
63 HB2 TYR 10 HB2 TYR 10 7.263 0.767 -5.817
64 HB3 TYR 10 HB3 TYR 10 7.172 2.517 -5.975
65 HD1 TYR 10 HD1 TYR 10 8.337 3.939 -4.491
66 HD2 TYR 10 HD2 TYR 10 8.060 -0.223 -3.671
67 HE1 TYR 10 HE1 TYR 10 10.019 4.183 -2.715
68 HE2 TYR 10 HE2 TYR 10 9.734 0.008 -1.892
69 HH TYR 10 HH TYR 10 11.537 1.494 -1.246
70 H ASP 11 H ASP 11 5.248 3.954 -5.722
71 HA ASP 11 HA ASP 11 5.658 5.712 -3.668
72 HB2 ASP 11 HB2 ASP 11 5.309 6.602 -5.823
73 HB3 ASP 11 HB3 ASP 11 3.768 5.775 -6.007
74 H CYS 12 H CYS 12 2.763 3.824 -4.311
75 HA CYS 12 HA CYS 12 1.313 5.064 -2.139
76 HB2 CYS 12 HB2 CYS 12 0.690 2.994 -4.200
77 HB3 CYS 12 HB3 CYS 12 -0.316 3.098 -2.757
78 H ARG 13 H ARG 13 3.276 2.251 -2.657
79 HA ARG 13 HA ARG 13 2.086 0.811 -0.446
80 HB2 ARG 13 HB2 ARG 13 4.439 0.126 -2.213
81 HB3 ARG 13 HB3 ARG 13 3.737 -0.949 -1.013
82 HG2 ARG 13 HG2 ARG 13 1.552 -0.699 -2.254
83 HG3 ARG 13 HG3 ARG 13 2.479 0.090 -3.530
84 HD2 ARG 13 HD2 ARG 13 2.979 -2.694 -2.482
85 HD3 ARG 13 HD3 ARG 13 2.092 -2.312 -3.955
86 HE ARG 13 HE ARG 13 4.967 -1.835 -3.525
87 HH11 ARG 13 HH11 ARG 13 2.223 -2.180 -5.694
88 HH12 ARG 13 HH12 ARG 13 3.214 -2.429 -7.096
89 HH21 ARG 13 HH21 ARG 13 6.257 -2.168 -5.387
90 HH22 ARG 13 HH22 ARG 13 5.491 -2.441 -6.917
91 H VAL 14 H VAL 14 4.771 2.903 -0.962
92 HA VAL 14 HA VAL 14 6.217 1.992 1.346
93 HB VAL 14 HB VAL 14 7.404 2.913 -0.596
94 HG11 VAL 14 HG11 VAL 14 6.170 5.549 0.180
95 HG12 VAL 14 HG12 VAL 14 5.825 4.626 -1.280
96 HG13 VAL 14 HG13 VAL 14 7.427 5.317 -1.034
97 HG21 VAL 14 HG21 VAL 14 7.767 4.498 1.942
98 HG22 VAL 14 HG22 VAL 14 8.944 4.397 0.631
99 HG23 VAL 14 HG23 VAL 14 8.518 2.951 1.549
100 H LYS 15 H LYS 15 3.712 4.319 0.751
101 HA LYS 15 HA LYS 15 3.939 5.136 3.557
102 HB2 LYS 15 HB2 LYS 15 3.326 7.448 2.954
103 HB3 LYS 15 HB3 LYS 15 4.877 6.952 2.298
104 HG2 LYS 15 HG2 LYS 15 3.800 6.549 0.122
105 HG3 LYS 15 HG3 LYS 15 2.278 7.137 0.798
106 HD2 LYS 15 HD2 LYS 15 3.379 9.294 1.304
107 HD3 LYS 15 HD3 LYS 15 4.852 8.695 0.538
108 HE2 LYS 15 HE2 LYS 15 3.613 10.112 -0.995
109 HE3 LYS 15 HE3 LYS 15 3.635 8.450 -1.582
110 HZ1 LYS 15 HZ1 LYS 15 1.447 9.501 -1.779
111 HZ2 LYS 15 HZ2 LYS 15 1.380 9.692 -0.103
112 HZ3 LYS 15 HZ3 LYS 15 1.405 8.144 -0.777
113 H GLY 16 H GLY 16 2.138 3.364 1.783
114 HA2 GLY 16 HA2 GLY 16 -0.438 4.596 2.457
115 HA3 GLY 16 HA3 GLY 16 -0.201 3.254 1.343
116 H THR 17 H THR 17 -2.132 3.123 3.278
117 HA THR 17 HA THR 17 -1.022 1.530 5.464
118 HB THR 17 HB THR 17 -3.367 1.575 6.345
119 HG1 THR 17 HG1 THR 17 -4.191 2.061 4.098
120 HG21 THR 17 HG21 THR 17 -3.321 3.934 7.023
121 HG22 THR 17 HG22 THR 17 -2.126 4.268 5.771
122 HG23 THR 17 HG23 THR 17 -1.718 3.204 7.117
123 H CYS 18 H CYS 18 -1.258 -0.621 5.593
124 HA CYS 18 HA CYS 18 -2.442 -2.019 3.347
125 HB2 CYS 18 HB2 CYS 18 -0.231 -2.643 4.448
126 HB3 CYS 18 HB3 CYS 18 -1.182 -3.227 5.808
127 H GLU 19 H GLU 19 -4.635 -1.951 3.468
128 HA GLU 19 HA GLU 19 -5.872 -2.809 6.002
129 HB2 GLU 19 HB2 GLU 19 -6.738 -0.651 4.092
130 HB3 GLU 19 HB3 GLU 19 -7.798 -1.316 5.323
131 HG2 GLU 19 HG2 GLU 19 -5.162 0.033 5.863
132 HG3 GLU 19 HG3 GLU 19 -6.744 0.801 5.998
133 H ASN 20 H ASN 20 -7.028 -4.579 5.845
134 HA ASN 20 HA ASN 20 -8.449 -6.187 5.118
135 HB2 ASN 20 HB2 ASN 20 -9.825 -4.132 4.540
136 HB3 ASN 20 HB3 ASN 20 -9.235 -4.299 2.893
137 HD21 ASN 20 HD21 ASN 20 -11.244 -5.655 5.369
138 HD22 ASN 20 HD22 ASN 20 -12.135 -6.724 4.345
139 H GLY 21 H GLY 21 -5.695 -5.744 3.936
140 HA2 GLY 21 HA2 GLY 21 -4.423 -7.171 2.596
141 HA3 GLY 21 HA3 GLY 21 -5.910 -7.791 1.891
142 H LYS 22 H LYS 22 -5.904 -4.440 1.965
143 HA LYS 22 HA LYS 22 -4.872 -4.290 -0.786
144 HB2 LYS 22 HB2 LYS 22 -7.325 -4.062 -0.754
145 HB3 LYS 22 HB3 LYS 22 -7.189 -2.757 0.416
146 HG2 LYS 22 HG2 LYS 22 -5.866 -1.483 -1.283
147 HG3 LYS 22 HG3 LYS 22 -6.268 -2.744 -2.448
148 HD2 LYS 22 HD2 LYS 22 -8.659 -2.283 -2.090
149 HD3 LYS 22 HD3 LYS 22 -8.225 -0.999 -0.957
150 HE2 LYS 22 HE2 LYS 22 -7.423 -1.098 -3.865
151 HE3 LYS 22 HE3 LYS 22 -8.751 -0.144 -3.216
152 HZ1 LYS 22 HZ1 LYS 22 -7.253 1.203 -2.001
153 HZ2 LYS 22 HZ2 LYS 22 -6.616 1.079 -3.561
154 HZ3 LYS 22 HZ3 LYS 22 -5.944 0.171 -2.305
155 H CYS 23 H CYS 23 -3.477 -2.679 -1.224
156 HA CYS 23 HA CYS 23 -2.484 -1.034 0.900
157 HB2 CYS 23 HB2 CYS 23 -1.106 -1.885 -1.032
158 HB3 CYS 23 HB3 CYS 23 -1.964 -0.743 -2.062
159 H VAL 24 H VAL 24 -3.265 0.847 1.524
160 HA VAL 24 HA VAL 24 -5.061 2.301 -0.301
161 HB VAL 24 HB VAL 24 -5.209 2.192 2.717
162 HG11 VAL 24 HG11 VAL 24 -7.366 3.365 2.404
163 HG12 VAL 24 HG12 VAL 24 -6.990 3.532 0.690
164 HG13 VAL 24 HG13 VAL 24 -5.976 4.322 1.896
165 HG21 VAL 24 HG21 VAL 24 -6.985 0.924 0.634
166 HG22 VAL 24 HG22 VAL 24 -7.305 0.950 2.368
167 HG23 VAL 24 HG23 VAL 24 -5.903 0.080 1.743
168 H CYS 25 H CYS 25 -3.756 3.830 -1.098
169 HA CYS 25 HA CYS 25 -2.129 5.427 0.757
170 HB2 CYS 25 HB2 CYS 25 -0.982 6.228 -1.284
171 HB3 CYS 25 HB3 CYS 25 -0.901 4.477 -1.119
172 H GLY 26 H GLY 26 -4.684 5.967 1.097
173 HA2 GLY 26 HA2 GLY 26 -6.093 7.852 1.091
174 HA3 GLY 26 HA3 GLY 26 -5.190 8.492 -0.280
175 H SER 27 H SER 27 -5.516 5.501 -1.163
176 HA SER 27 HA SER 27 -8.299 5.397 -1.932
177 HB2 SER 27 HB2 SER 27 -6.108 5.451 -4.034
178 HB3 SER 27 HB3 SER 27 -7.830 5.211 -4.330
179 HG SER 27 HG SER 27 -7.669 7.421 -2.947
Start of MODEL 3
1 H1 LEU 1 H1 LEU 1 2.264 1.496 4.413
2 H2 LEU 1 H2 LEU 1 3.619 2.078 5.240
3 H3 LEU 1 H3 LEU 1 2.663 0.871 5.934
4 HA LEU 1 HA LEU 1 4.305 0.604 3.491
5 HB2 LEU 1 HB2 LEU 1 4.609 -0.498 6.287
6 HB3 LEU 1 HB3 LEU 1 5.509 -1.102 4.912
7 HG LEU 1 HG LEU 1 5.655 1.758 5.876
8 HD11 LEU 1 HD11 LEU 1 7.509 -0.555 6.429
9 HD12 LEU 1 HD12 LEU 1 6.475 0.251 7.608
10 HD13 LEU 1 HD13 LEU 1 7.807 1.130 6.858
11 HD21 LEU 1 HD21 LEU 1 7.351 0.153 3.966
12 HD22 LEU 1 HD22 LEU 1 7.704 1.789 4.512
13 HD23 LEU 1 HD23 LEU 1 6.266 1.478 3.545
14 H CYS 2 H CYS 2 4.080 -1.253 2.347
15 HA CYS 2 HA CYS 2 2.008 -3.144 3.246
16 HB2 CYS 2 HB2 CYS 2 2.801 -2.301 0.458
17 HB3 CYS 2 HB3 CYS 2 1.766 -3.681 0.791
18 H LEU 3 H LEU 3 2.903 -4.945 3.952
19 HA LEU 3 HA LEU 3 5.520 -5.760 2.979
20 HB2 LEU 3 HB2 LEU 3 3.796 -6.969 5.139
21 HB3 LEU 3 HB3 LEU 3 5.462 -7.391 4.799
22 HG LEU 3 HG LEU 3 4.478 -4.739 5.851
23 HD11 LEU 3 HD11 LEU 3 4.404 -6.516 7.512
24 HD12 LEU 3 HD12 LEU 3 5.681 -5.358 7.880
25 HD13 LEU 3 HD13 LEU 3 6.086 -6.920 7.169
26 HD21 LEU 3 HD21 LEU 3 6.867 -4.194 6.102
27 HD22 LEU 3 HD22 LEU 3 6.392 -4.386 4.417
28 HD23 LEU 3 HD23 LEU 3 7.279 -5.673 5.234
29 H SER 4 H SER 4 2.190 -6.889 3.049
30 HA SER 4 HA SER 4 2.809 -8.694 0.835
31 HB2 SER 4 HB2 SER 4 1.285 -9.560 3.303
32 HB3 SER 4 HB3 SER 4 1.578 -10.538 1.868
33 HG SER 4 HG SER 4 3.924 -9.951 2.435
34 H CYS 5 H CYS 5 1.639 -6.370 0.365
35 HA CYS 5 HA CYS 5 -1.192 -7.017 -0.011
36 HB2 CYS 5 HB2 CYS 5 -0.266 -4.312 0.961
37 HB3 CYS 5 HB3 CYS 5 -1.927 -4.872 0.778
38 H ARG 6 H ARG 6 -2.238 -5.527 -1.594
39 HA ARG 6 HA ARG 6 -0.310 -4.458 -3.540
40 HB2 ARG 6 HB2 ARG 6 -2.689 -6.217 -4.142
41 HB3 ARG 6 HB3 ARG 6 -1.763 -5.355 -5.361
42 HG2 ARG 6 HG2 ARG 6 0.243 -6.623 -4.670
43 HG3 ARG 6 HG3 ARG 6 -0.769 -7.540 -3.551
44 HD2 ARG 6 HD2 ARG 6 -0.435 -8.762 -5.637
45 HD3 ARG 6 HD3 ARG 6 -2.130 -8.325 -5.422
46 HE ARG 6 HE ARG 6 -0.867 -6.318 -6.922
47 HH11 ARG 6 HH11 ARG 6 -1.868 -9.656 -7.235
48 HH12 ARG 6 HH12 ARG 6 -2.060 -9.562 -8.957
49 HH21 ARG 6 HH21 ARG 6 -1.112 -6.191 -9.170
50 HH22 ARG 6 HH22 ARG 6 -1.607 -7.595 -10.063
51 H GLY 7 H GLY 7 -1.364 -3.016 -5.147
52 HA2 GLY 7 HA2 GLY 7 -3.474 -1.826 -5.678
53 HA3 GLY 7 HA3 GLY 7 -3.661 -1.612 -3.944
54 H GLY 8 H GLY 8 -3.196 0.150 -6.450
55 HA2 GLY 8 HA2 GLY 8 -2.487 2.341 -6.609
56 HA3 GLY 8 HA3 GLY 8 -1.839 2.204 -4.985
57 H ASP 9 H ASP 9 -0.194 3.566 -6.127
58 HA ASP 9 HA ASP 9 1.644 2.267 -7.902
59 HB2 ASP 9 HB2 ASP 9 1.249 4.726 -7.913
60 HB3 ASP 9 HB3 ASP 9 1.963 4.825 -6.312
61 H TYR 10 H TYR 10 4.042 2.138 -7.267
62 HA TYR 10 HA TYR 10 4.476 0.497 -5.075
63 HB2 TYR 10 HB2 TYR 10 6.109 0.728 -6.881
64 HB3 TYR 10 HB3 TYR 10 6.421 2.393 -6.402
65 HD1 TYR 10 HD1 TYR 10 7.918 2.903 -4.639
66 HD2 TYR 10 HD2 TYR 10 6.770 -1.128 -5.354
67 HE1 TYR 10 HE1 TYR 10 9.664 2.137 -3.087
68 HE2 TYR 10 HE2 TYR 10 8.511 -1.906 -3.807
69 HH TYR 10 HH TYR 10 10.639 -1.122 -2.881
70 H ASP 11 H ASP 11 4.711 3.985 -5.390
71 HA ASP 11 HA ASP 11 5.685 4.642 -2.862
72 HB2 ASP 11 HB2 ASP 11 5.553 6.283 -4.617
73 HB3 ASP 11 HB3 ASP 11 3.806 6.110 -4.712
74 H CYS 12 H CYS 12 2.445 3.807 -3.907
75 HA CYS 12 HA CYS 12 1.132 4.560 -1.487
76 HB2 CYS 12 HB2 CYS 12 0.326 2.739 -3.755
77 HB3 CYS 12 HB3 CYS 12 -0.731 3.125 -2.402
78 H ARG 13 H ARG 13 2.992 1.875 -2.506
79 HA ARG 13 HA ARG 13 1.978 0.113 -0.425
80 HB2 ARG 13 HB2 ARG 13 4.322 -0.301 -2.292
81 HB3 ARG 13 HB3 ARG 13 3.505 -1.530 -1.337
82 HG2 ARG 13 HG2 ARG 13 1.447 -1.114 -2.650
83 HG3 ARG 13 HG3 ARG 13 2.368 0.003 -3.660
84 HD2 ARG 13 HD2 ARG 13 3.933 -1.883 -4.160
85 HD3 ARG 13 HD3 ARG 13 2.822 -2.954 -3.310
86 HE ARG 13 HE ARG 13 1.821 -1.370 -5.558
87 HH11 ARG 13 HH11 ARG 13 2.662 -4.481 -4.189
88 HH12 ARG 13 HH12 ARG 13 1.944 -5.381 -5.484
89 HH21 ARG 13 HH21 ARG 13 0.854 -2.560 -7.256
90 HH22 ARG 13 HH22 ARG 13 0.901 -4.296 -7.215
91 H VAL 14 H VAL 14 4.088 2.656 -0.630
92 HA VAL 14 HA VAL 14 5.828 1.628 1.481
93 HB VAL 14 HB VAL 14 6.092 4.156 -0.153
94 HG11 VAL 14 HG11 VAL 14 8.344 4.296 0.826
95 HG12 VAL 14 HG12 VAL 14 7.981 2.901 1.837
96 HG13 VAL 14 HG13 VAL 14 7.085 4.403 2.057
97 HG21 VAL 14 HG21 VAL 14 7.966 3.008 -1.236
98 HG22 VAL 14 HG22 VAL 14 6.444 2.153 -1.491
99 HG23 VAL 14 HG23 VAL 14 7.605 1.553 -0.308
100 H LYS 15 H LYS 15 4.114 4.692 0.730
101 HA LYS 15 HA LYS 15 4.069 5.200 3.605
102 HB2 LYS 15 HB2 LYS 15 3.576 7.495 3.097
103 HB3 LYS 15 HB3 LYS 15 4.932 6.965 2.116
104 HG2 LYS 15 HG2 LYS 15 3.467 6.743 0.185
105 HG3 LYS 15 HG3 LYS 15 2.090 7.249 1.168
106 HD2 LYS 15 HD2 LYS 15 3.277 9.386 1.631
107 HD3 LYS 15 HD3 LYS 15 4.552 8.876 0.528
108 HE2 LYS 15 HE2 LYS 15 3.057 10.381 -0.618
109 HE3 LYS 15 HE3 LYS 15 2.881 8.764 -1.294
110 HZ1 LYS 15 HZ1 LYS 15 0.737 9.813 -0.967
111 HZ2 LYS 15 HZ2 LYS 15 1.061 10.031 0.681
112 HZ3 LYS 15 HZ3 LYS 15 0.890 8.468 0.054
113 H GLY 16 H GLY 16 2.096 3.814 1.363
114 HA2 GLY 16 HA2 GLY 16 -0.410 4.800 2.425
115 HA3 GLY 16 HA3 GLY 16 -0.209 3.550 1.203
116 H THR 17 H THR 17 -2.045 3.195 3.146
117 HA THR 17 HA THR 17 -0.795 1.426 5.136
118 HB THR 17 HB THR 17 -3.009 1.625 6.319
119 HG1 THR 17 HG1 THR 17 -4.111 2.383 4.344
120 HG21 THR 17 HG21 THR 17 -2.573 3.864 7.206
121 HG22 THR 17 HG22 THR 17 -1.522 4.208 5.832
122 HG23 THR 17 HG23 THR 17 -1.071 2.965 6.998
123 H CYS 18 H CYS 18 -1.181 -0.716 5.051
124 HA CYS 18 HA CYS 18 -2.843 -1.741 2.937
125 HB2 CYS 18 HB2 CYS 18 -0.783 -2.921 3.415
126 HB3 CYS 18 HB3 CYS 18 -1.276 -3.161 5.090
127 H GLU 19 H GLU 19 -4.932 -1.822 3.139
128 HA GLU 19 HA GLU 19 -6.079 -2.586 5.740
129 HB2 GLU 19 HB2 GLU 19 -7.174 -0.741 3.615
130 HB3 GLU 19 HB3 GLU 19 -8.124 -1.333 4.964
131 HG2 GLU 19 HG2 GLU 19 -6.547 -0.269 6.523
132 HG3 GLU 19 HG3 GLU 19 -5.645 0.359 5.149
133 H ASN 20 H ASN 20 -6.804 -4.566 5.700
134 HA ASN 20 HA ASN 20 -7.608 -6.567 5.027
135 HB2 ASN 20 HB2 ASN 20 -9.258 -4.775 3.248
136 HB3 ASN 20 HB3 ASN 20 -9.514 -6.509 3.373
137 HD21 ASN 20 HD21 ASN 20 -9.870 -3.445 4.920
138 HD22 ASN 20 HD22 ASN 20 -10.835 -3.995 6.245
139 H GLY 21 H GLY 21 -5.200 -5.636 3.809
140 HA2 GLY 21 HA2 GLY 21 -3.768 -6.798 2.368
141 HA3 GLY 21 HA3 GLY 21 -5.170 -7.473 1.550
142 H LYS 22 H LYS 22 -5.787 -4.264 1.822
143 HA LYS 22 HA LYS 22 -4.793 -3.804 -0.907
144 HB2 LYS 22 HB2 LYS 22 -7.239 -3.816 -0.672
145 HB3 LYS 22 HB3 LYS 22 -7.131 -2.556 0.546
146 HG2 LYS 22 HG2 LYS 22 -7.807 -1.572 -1.523
147 HG3 LYS 22 HG3 LYS 22 -6.166 -1.042 -1.153
148 HD2 LYS 22 HD2 LYS 22 -6.335 -1.595 -3.501
149 HD3 LYS 22 HD3 LYS 22 -5.293 -2.766 -2.692
150 HE2 LYS 22 HE2 LYS 22 -6.815 -3.865 -4.258
151 HE3 LYS 22 HE3 LYS 22 -7.139 -4.360 -2.600
152 HZ1 LYS 22 HZ1 LYS 22 -9.170 -3.898 -3.855
153 HZ2 LYS 22 HZ2 LYS 22 -8.675 -2.298 -4.087
154 HZ3 LYS 22 HZ3 LYS 22 -9.010 -2.863 -2.528
155 H CYS 23 H CYS 23 -3.261 -2.348 -1.180
156 HA CYS 23 HA CYS 23 -2.407 -0.624 0.938
157 HB2 CYS 23 HB2 CYS 23 -1.606 -0.675 -1.975
158 HB3 CYS 23 HB3 CYS 23 -0.783 0.225 -0.707
159 H VAL 24 H VAL 24 -3.712 0.964 1.505
160 HA VAL 24 HA VAL 24 -5.035 2.568 -0.559
161 HB VAL 24 HB VAL 24 -5.455 2.622 2.434
162 HG11 VAL 24 HG11 VAL 24 -7.510 3.841 1.887
163 HG12 VAL 24 HG12 VAL 24 -7.084 3.795 0.178
164 HG13 VAL 24 HG13 VAL 24 -6.079 4.697 1.311
165 HG21 VAL 24 HG21 VAL 24 -7.514 1.358 2.014
166 HG22 VAL 24 HG22 VAL 24 -6.086 0.444 1.526
167 HG23 VAL 24 HG23 VAL 24 -7.087 1.232 0.307
168 H CYS 25 H CYS 25 -4.169 4.451 -1.103
169 HA CYS 25 HA CYS 25 -2.394 5.763 0.833
170 HB2 CYS 25 HB2 CYS 25 -1.077 6.578 -1.109
171 HB3 CYS 25 HB3 CYS 25 -1.037 4.831 -0.917
172 H GLY 26 H GLY 26 -3.036 7.712 1.424
173 HA2 GLY 26 HA2 GLY 26 -5.155 9.086 0.028
174 HA3 GLY 26 HA3 GLY 26 -4.328 9.637 1.478
175 H SER 27 H SER 27 -3.704 9.088 -1.973
176 HA SER 27 HA SER 27 -2.541 10.239 -3.539
177 HB2 SER 27 HB2 SER 27 -2.677 12.606 -1.656
178 HB3 SER 27 HB3 SER 27 -2.388 12.649 -3.394
179 HG SER 27 HG SER 27 -4.678 11.321 -2.814
Start of MODEL 4
1 H1 LEU 1 H1 LEU 1 3.736 1.937 5.497
2 H2 LEU 1 H2 LEU 1 2.908 0.587 6.094
3 H3 LEU 1 H3 LEU 1 2.263 1.469 4.804
4 HA LEU 1 HA LEU 1 4.079 0.822 3.391
5 HB2 LEU 1 HB2 LEU 1 5.733 0.641 5.237
6 HB3 LEU 1 HB3 LEU 1 4.945 -0.828 5.770
7 HG LEU 1 HG LEU 1 5.546 -1.892 3.601
8 HD11 LEU 1 HD11 LEU 1 7.081 0.670 3.183
9 HD12 LEU 1 HD12 LEU 1 5.755 0.057 2.195
10 HD13 LEU 1 HD13 LEU 1 7.293 -0.801 2.236
11 HD21 LEU 1 HD21 LEU 1 6.916 -2.238 5.573
12 HD22 LEU 1 HD22 LEU 1 7.827 -0.770 5.218
13 HD23 LEU 1 HD23 LEU 1 7.926 -2.152 4.128
14 H CYS 2 H CYS 2 3.393 -0.683 1.971
15 HA CYS 2 HA CYS 2 1.467 -2.668 2.967
16 HB2 CYS 2 HB2 CYS 2 1.673 -1.450 0.214
17 HB3 CYS 2 HB3 CYS 2 0.409 -2.530 0.780
18 H LEU 3 H LEU 3 3.028 -4.285 3.353
19 HA LEU 3 HA LEU 3 4.406 -5.325 0.986
20 HB2 LEU 3 HB2 LEU 3 4.642 -6.141 3.880
21 HB3 LEU 3 HB3 LEU 3 5.607 -6.779 2.563
22 HG LEU 3 HG LEU 3 5.634 -3.937 3.577
23 HD11 LEU 3 HD11 LEU 3 6.730 -5.490 5.087
24 HD12 LEU 3 HD12 LEU 3 7.917 -4.469 4.277
25 HD13 LEU 3 HD13 LEU 3 7.685 -6.137 3.754
26 HD21 LEU 3 HD21 LEU 3 7.181 -5.244 1.345
27 HD22 LEU 3 HD22 LEU 3 7.559 -3.668 2.034
28 HD23 LEU 3 HD23 LEU 3 6.024 -3.919 1.204
29 H SER 4 H SER 4 1.948 -6.152 3.350
30 HA SER 4 HA SER 4 1.442 -8.681 1.962
31 HB2 SER 4 HB2 SER 4 1.622 -8.751 4.427
32 HB3 SER 4 HB3 SER 4 0.277 -7.621 4.549
33 HG SER 4 HG SER 4 -0.915 -9.288 3.293
34 H CYS 5 H CYS 5 0.763 -5.812 1.155
35 HA CYS 5 HA CYS 5 -2.025 -6.335 0.455
36 HB2 CYS 5 HB2 CYS 5 -0.959 -3.786 1.664
37 HB3 CYS 5 HB3 CYS 5 -2.494 -3.880 0.804
38 H ARG 6 H ARG 6 -2.667 -5.515 -1.510
39 HA ARG 6 HA ARG 6 -0.474 -4.488 -3.187
40 HB2 ARG 6 HB2 ARG 6 -2.828 -6.214 -3.969
41 HB3 ARG 6 HB3 ARG 6 -1.611 -5.598 -5.081
42 HG2 ARG 6 HG2 ARG 6 0.110 -6.876 -3.944
43 HG3 ARG 6 HG3 ARG 6 -1.079 -7.453 -2.773
44 HD2 ARG 6 HD2 ARG 6 -2.320 -8.526 -4.609
45 HD3 ARG 6 HD3 ARG 6 -1.074 -8.000 -5.737
46 HE ARG 6 HE ARG 6 0.356 -9.368 -3.925
47 HH11 ARG 6 HH11 ARG 6 -2.590 -10.140 -5.638
48 HH12 ARG 6 HH12 ARG 6 -2.284 -11.846 -5.671
49 HH21 ARG 6 HH21 ARG 6 0.775 -11.621 -3.957
50 HH22 ARG 6 HH22 ARG 6 -0.367 -12.692 -4.707
51 H GLY 7 H GLY 7 -1.363 -3.319 -5.171
52 HA2 GLY 7 HA2 GLY 7 -3.274 -1.992 -5.991
53 HA3 GLY 7 HA3 GLY 7 -3.588 -1.582 -4.310
54 H GLY 8 H GLY 8 -2.690 -0.161 -6.939
55 HA2 GLY 8 HA2 GLY 8 -1.628 1.862 -7.298
56 HA3 GLY 8 HA3 GLY 8 -1.167 1.868 -5.604
57 H ASP 9 H ASP 9 0.755 2.806 -6.928
58 HA ASP 9 HA ASP 9 2.525 0.658 -7.825
59 HB2 ASP 9 HB2 ASP 9 2.136 2.909 -9.094
60 HB3 ASP 9 HB3 ASP 9 3.244 3.568 -7.896
61 H TYR 10 H TYR 10 4.978 1.641 -7.236
62 HA TYR 10 HA TYR 10 5.428 0.652 -4.696
63 HB2 TYR 10 HB2 TYR 10 7.177 0.818 -6.370
64 HB3 TYR 10 HB3 TYR 10 7.095 2.574 -6.318
65 HD1 TYR 10 HD1 TYR 10 8.075 -0.433 -4.423
66 HD2 TYR 10 HD2 TYR 10 8.252 3.804 -4.662
67 HE1 TYR 10 HE1 TYR 10 9.817 -0.416 -2.687
68 HE2 TYR 10 HE2 TYR 10 9.988 3.840 -2.928
69 HH TYR 10 HH TYR 10 11.629 1.031 -1.917
70 H ASP 11 H ASP 11 5.308 4.059 -5.706
71 HA ASP 11 HA ASP 11 5.927 5.174 -3.225
72 HB2 ASP 11 HB2 ASP 11 5.060 7.265 -4.114
73 HB3 ASP 11 HB3 ASP 11 5.976 6.425 -5.357
74 H CYS 12 H CYS 12 2.873 4.064 -4.525
75 HA CYS 12 HA CYS 12 1.255 5.166 -2.454
76 HB2 CYS 12 HB2 CYS 12 0.176 4.601 -4.507
77 HB3 CYS 12 HB3 CYS 12 0.822 2.967 -4.474
78 H ARG 13 H ARG 13 3.087 2.230 -2.883
79 HA ARG 13 HA ARG 13 1.762 0.860 -0.704
80 HB2 ARG 13 HB2 ARG 13 4.174 0.016 -2.319
81 HB3 ARG 13 HB3 ARG 13 3.190 -1.015 -1.289
82 HG2 ARG 13 HG2 ARG 13 1.260 -0.599 -2.753
83 HG3 ARG 13 HG3 ARG 13 2.290 0.385 -3.794
84 HD2 ARG 13 HD2 ARG 13 3.727 -1.606 -4.154
85 HD3 ARG 13 HD3 ARG 13 2.569 -2.560 -3.227
86 HE ARG 13 HE ARG 13 1.535 -1.096 -5.522
87 HH11 ARG 13 HH11 ARG 13 2.596 -4.147 -4.174
88 HH12 ARG 13 HH12 ARG 13 1.851 -5.093 -5.421
89 HH21 ARG 13 HH21 ARG 13 0.550 -2.333 -7.148
90 HH22 ARG 13 HH22 ARG 13 0.672 -4.068 -7.107
91 H VAL 14 H VAL 14 4.240 3.088 -0.941
92 HA VAL 14 HA VAL 14 5.750 2.068 1.309
93 HB VAL 14 HB VAL 14 5.999 4.649 -0.241
94 HG11 VAL 14 HG11 VAL 14 8.122 4.967 0.932
95 HG12 VAL 14 HG12 VAL 14 7.809 3.526 1.899
96 HG13 VAL 14 HG13 VAL 14 6.771 4.942 2.066
97 HG21 VAL 14 HG21 VAL 14 8.025 3.619 -1.140
98 HG22 VAL 14 HG22 VAL 14 6.596 2.656 -1.509
99 HG23 VAL 14 HG23 VAL 14 7.689 2.153 -0.220
100 H LYS 15 H LYS 15 3.738 4.920 0.616
101 HA LYS 15 HA LYS 15 3.720 5.570 3.454
102 HB2 LYS 15 HB2 LYS 15 2.538 7.634 2.741
103 HB3 LYS 15 HB3 LYS 15 4.095 7.416 1.958
104 HG2 LYS 15 HG2 LYS 15 3.005 6.627 -0.056
105 HG3 LYS 15 HG3 LYS 15 1.434 6.776 0.725
106 HD2 LYS 15 HD2 LYS 15 3.190 9.173 0.632
107 HD3 LYS 15 HD3 LYS 15 2.394 8.668 -0.858
108 HE2 LYS 15 HE2 LYS 15 1.028 10.311 0.257
109 HE3 LYS 15 HE3 LYS 15 0.219 8.748 0.318
110 HZ1 LYS 15 HZ1 LYS 15 0.941 8.490 2.591
111 HZ2 LYS 15 HZ2 LYS 15 0.093 9.943 2.426
112 HZ3 LYS 15 HZ3 LYS 15 1.782 9.953 2.537
113 H GLY 16 H GLY 16 1.946 3.622 1.480
114 HA2 GLY 16 HA2 GLY 16 -0.680 4.310 2.464
115 HA3 GLY 16 HA3 GLY 16 -0.278 2.971 1.398
116 H THR 17 H THR 17 -2.076 2.732 3.473
117 HA THR 17 HA THR 17 -0.651 1.192 5.512
118 HB THR 17 HB THR 17 -2.981 1.096 6.571
119 HG1 THR 17 HG1 THR 17 -4.512 1.907 5.346
120 HG21 THR 17 HG21 THR 17 -2.754 3.339 7.537
121 HG22 THR 17 HG22 THR 17 -1.629 3.776 6.252
122 HG23 THR 17 HG23 THR 17 -1.194 2.528 7.419
123 H CYS 18 H CYS 18 -0.910 -0.972 5.720
124 HA CYS 18 HA CYS 18 -2.101 -2.369 3.486
125 HB2 CYS 18 HB2 CYS 18 0.097 -3.052 4.399
126 HB3 CYS 18 HB3 CYS 18 -0.670 -3.424 5.935
127 H GLU 19 H GLU 19 -4.284 -2.206 3.656
128 HA GLU 19 HA GLU 19 -5.492 -3.390 6.062
129 HB2 GLU 19 HB2 GLU 19 -6.498 -1.063 4.432
130 HB3 GLU 19 HB3 GLU 19 -7.430 -1.865 5.684
131 HG2 GLU 19 HG2 GLU 19 -5.711 -1.230 7.330
132 HG3 GLU 19 HG3 GLU 19 -4.844 -0.375 6.059
133 H ASN 20 H ASN 20 -6.404 -5.227 5.602
134 HA ASN 20 HA ASN 20 -7.741 -6.797 4.668
135 HB2 ASN 20 HB2 ASN 20 -9.351 -4.875 4.801
136 HB3 ASN 20 HB3 ASN 20 -8.954 -4.498 3.133
137 HD21 ASN 20 HD21 ASN 20 -9.224 -7.758 4.360
138 HD22 ASN 20 HD22 ASN 20 -10.662 -8.162 3.490
139 H GLY 21 H GLY 21 -5.221 -6.360 3.476
140 HA2 GLY 21 HA2 GLY 21 -4.091 -7.349 1.721
141 HA3 GLY 21 HA3 GLY 21 -5.643 -7.776 1.014
142 H LYS 22 H LYS 22 -5.732 -4.538 1.688
143 HA LYS 22 HA LYS 22 -4.858 -3.875 -1.043
144 HB2 LYS 22 HB2 LYS 22 -7.307 -3.888 -0.859
145 HB3 LYS 22 HB3 LYS 22 -7.215 -2.783 0.501
146 HG2 LYS 22 HG2 LYS 22 -7.866 -1.596 -1.496
147 HG3 LYS 22 HG3 LYS 22 -6.274 -1.058 -0.965
148 HD2 LYS 22 HD2 LYS 22 -6.259 -1.309 -3.358
149 HD3 LYS 22 HD3 LYS 22 -5.251 -2.570 -2.647
150 HE2 LYS 22 HE2 LYS 22 -6.622 -3.481 -4.440
151 HE3 LYS 22 HE3 LYS 22 -7.103 -4.170 -2.891
152 HZ1 LYS 22 HZ1 LYS 22 -8.993 -3.529 -4.299
153 HZ2 LYS 22 HZ2 LYS 22 -8.491 -1.915 -4.230
154 HZ3 LYS 22 HZ3 LYS 22 -8.982 -2.710 -2.821
155 H CYS 23 H CYS 23 -3.625 -2.112 -1.298
156 HA CYS 23 HA CYS 23 -2.573 -0.854 1.074
157 HB2 CYS 23 HB2 CYS 23 -1.196 -1.508 -0.953
158 HB3 CYS 23 HB3 CYS 23 -1.944 -0.148 -1.788
159 H VAL 24 H VAL 24 -3.474 0.837 1.973
160 HA VAL 24 HA VAL 24 -5.196 2.581 0.356
161 HB VAL 24 HB VAL 24 -4.958 2.438 3.365
162 HG11 VAL 24 HG11 VAL 24 -5.795 4.577 2.562
163 HG12 VAL 24 HG12 VAL 24 -7.080 3.669 3.353
164 HG13 VAL 24 HG13 VAL 24 -7.018 3.755 1.595
165 HG21 VAL 24 HG21 VAL 24 -5.792 0.326 2.466
166 HG22 VAL 24 HG22 VAL 24 -7.038 1.194 1.570
167 HG23 VAL 24 HG23 VAL 24 -7.057 1.194 3.334
168 H CYS 25 H CYS 25 -3.857 4.051 -0.564
169 HA CYS 25 HA CYS 25 -1.972 5.441 1.206
170 HB2 CYS 25 HB2 CYS 25 -0.796 6.099 -0.909
171 HB3 CYS 25 HB3 CYS 25 -0.781 4.373 -0.568
172 H GLY 26 H GLY 26 -4.305 6.381 1.664
173 HA2 GLY 26 HA2 GLY 26 -4.882 8.587 -0.175
174 HA3 GLY 26 HA3 GLY 26 -5.940 8.015 1.104
175 H SER 27 H SER 27 -3.873 7.956 3.125
176 HA SER 27 HA SER 27 -3.731 10.840 3.643
177 HB2 SER 27 HB2 SER 27 -3.338 8.547 5.585
178 HB3 SER 27 HB3 SER 27 -3.526 10.255 5.985
179 HG SER 27 HG SER 27 -5.618 9.712 4.565
Start of MODEL 5
1 H1 LEU 1 H1 LEU 1 3.210 0.992 6.172
2 H2 LEU 1 H2 LEU 1 2.431 1.720 4.860
3 H3 LEU 1 H3 LEU 1 3.922 2.319 5.400
4 HA LEU 1 HA LEU 1 4.219 1.057 3.392
5 HB2 LEU 1 HB2 LEU 1 5.971 1.048 5.135
6 HB3 LEU 1 HB3 LEU 1 5.241 -0.373 5.849
7 HG LEU 1 HG LEU 1 5.724 -1.617 3.735
8 HD11 LEU 1 HD11 LEU 1 5.863 0.216 2.176
9 HD12 LEU 1 HD12 LEU 1 7.407 -0.634 2.212
10 HD13 LEU 1 HD13 LEU 1 7.229 0.905 3.052
11 HD21 LEU 1 HD21 LEU 1 8.116 -1.860 4.175
12 HD22 LEU 1 HD22 LEU 1 7.186 -1.801 5.671
13 HD23 LEU 1 HD23 LEU 1 8.091 -0.384 5.139
14 H CYS 2 H CYS 2 3.471 -0.518 2.105
15 HA CYS 2 HA CYS 2 1.688 -2.509 3.318
16 HB2 CYS 2 HB2 CYS 2 1.862 -1.572 0.451
17 HB3 CYS 2 HB3 CYS 2 0.673 -2.694 1.099
18 H LEU 3 H LEU 3 2.716 -4.354 3.696
19 HA LEU 3 HA LEU 3 4.604 -5.361 1.694
20 HB2 LEU 3 HB2 LEU 3 4.121 -6.219 4.544
21 HB3 LEU 3 HB3 LEU 3 5.280 -6.967 3.463
22 HG LEU 3 HG LEU 3 5.384 -4.100 4.409
23 HD11 LEU 3 HD11 LEU 3 7.308 -4.823 5.731
24 HD12 LEU 3 HD12 LEU 3 7.038 -6.488 5.215
25 HD13 LEU 3 HD13 LEU 3 5.839 -5.668 6.217
26 HD21 LEU 3 HD21 LEU 3 6.386 -4.312 2.227
27 HD22 LEU 3 HD22 LEU 3 7.295 -5.731 2.742
28 HD23 LEU 3 HD23 LEU 3 7.662 -4.151 3.433
29 H SER 4 H SER 4 1.758 -6.326 3.586
30 HA SER 4 HA SER 4 1.492 -8.707 1.906
31 HB2 SER 4 HB2 SER 4 0.053 -7.937 4.450
32 HB3 SER 4 HB3 SER 4 -0.145 -9.462 3.588
33 HG SER 4 HG SER 4 1.368 -9.496 5.388
34 H CYS 5 H CYS 5 0.678 -5.737 1.390
35 HA CYS 5 HA CYS 5 -2.014 -6.375 0.407
36 HB2 CYS 5 HB2 CYS 5 -1.077 -3.798 1.667
37 HB3 CYS 5 HB3 CYS 5 -2.577 -3.948 0.757
38 H ARG 6 H ARG 6 -2.557 -5.601 -1.600
39 HA ARG 6 HA ARG 6 -0.293 -4.607 -3.183
40 HB2 ARG 6 HB2 ARG 6 -2.884 -5.885 -4.072
41 HB3 ARG 6 HB3 ARG 6 -1.616 -5.320 -5.150
42 HG2 ARG 6 HG2 ARG 6 -0.066 -6.937 -4.069
43 HG3 ARG 6 HG3 ARG 6 -1.443 -7.570 -3.164
44 HD2 ARG 6 HD2 ARG 6 -1.012 -8.934 -5.133
45 HD3 ARG 6 HD3 ARG 6 -2.569 -8.120 -5.273
46 HE ARG 6 HE ARG 6 -0.669 -6.495 -6.507
47 HH11 ARG 6 HH11 ARG 6 -2.069 -9.673 -6.965
48 HH12 ARG 6 HH12 ARG 6 -1.867 -9.652 -8.685
49 HH21 ARG 6 HH21 ARG 6 -0.395 -6.464 -8.760
50 HH22 ARG 6 HH22 ARG 6 -0.903 -7.825 -9.712
51 H GLY 7 H GLY 7 -0.643 -2.918 -4.712
52 HA2 GLY 7 HA2 GLY 7 -3.082 -1.361 -4.486
53 HA3 GLY 7 HA3 GLY 7 -1.625 -0.589 -3.877
54 H GLY 8 H GLY 8 -1.639 1.025 -5.410
55 HA2 GLY 8 HA2 GLY 8 -1.490 0.266 -8.218
56 HA3 GLY 8 HA3 GLY 8 -1.623 1.899 -7.589
57 H ASP 9 H ASP 9 0.146 3.091 -7.404
58 HA ASP 9 HA ASP 9 2.542 2.125 -8.619
59 HB2 ASP 9 HB2 ASP 9 1.760 4.431 -8.959
60 HB3 ASP 9 HB3 ASP 9 1.995 4.764 -7.249
61 H TYR 10 H TYR 10 4.676 2.228 -7.670
62 HA TYR 10 HA TYR 10 5.078 0.879 -5.323
63 HB2 TYR 10 HB2 TYR 10 6.839 1.221 -6.944
64 HB3 TYR 10 HB3 TYR 10 6.814 2.955 -6.656
65 HD1 TYR 10 HD1 TYR 10 8.061 3.921 -4.911
66 HD2 TYR 10 HD2 TYR 10 7.686 -0.306 -5.148
67 HE1 TYR 10 HE1 TYR 10 9.817 3.679 -3.214
68 HE2 TYR 10 HE2 TYR 10 9.440 -0.563 -3.443
69 HH TYR 10 HH TYR 10 11.319 0.691 -2.534
70 H ASP 11 H ASP 11 5.026 4.385 -5.817
71 HA ASP 11 HA ASP 11 5.687 5.212 -3.244
72 HB2 ASP 11 HB2 ASP 11 5.638 6.780 -5.067
73 HB3 ASP 11 HB3 ASP 11 3.921 6.498 -5.326
74 H CYS 12 H CYS 12 2.635 4.088 -4.522
75 HA CYS 12 HA CYS 12 0.967 5.026 -2.450
76 HB2 CYS 12 HB2 CYS 12 0.100 4.252 -4.624
77 HB3 CYS 12 HB3 CYS 12 0.615 2.616 -4.243
78 H ARG 13 H ARG 13 2.912 2.110 -2.840
79 HA ARG 13 HA ARG 13 1.707 0.993 -0.431
80 HB2 ARG 13 HB2 ARG 13 3.056 -1.049 -1.004
81 HB3 ARG 13 HB3 ARG 13 1.820 -0.600 -2.164
82 HG2 ARG 13 HG2 ARG 13 3.505 0.360 -3.614
83 HG3 ARG 13 HG3 ARG 13 4.760 -0.027 -2.435
84 HD2 ARG 13 HD2 ARG 13 3.019 -1.968 -3.949
85 HD3 ARG 13 HD3 ARG 13 4.754 -1.720 -4.149
86 HE ARG 13 HE ARG 13 4.712 -2.431 -1.624
87 HH11 ARG 13 HH11 ARG 13 2.852 -3.809 -4.263
88 HH12 ARG 13 HH12 ARG 13 2.807 -5.391 -3.560
89 HH21 ARG 13 HH21 ARG 13 4.616 -4.497 -0.692
90 HH22 ARG 13 HH22 ARG 13 3.810 -5.785 -1.527
91 H VAL 14 H VAL 14 4.058 3.114 -0.976
92 HA VAL 14 HA VAL 14 5.917 2.106 1.008
93 HB VAL 14 HB VAL 14 5.790 4.782 -0.397
94 HG11 VAL 14 HG11 VAL 14 7.936 3.660 1.406
95 HG12 VAL 14 HG12 VAL 14 6.851 4.994 1.797
96 HG13 VAL 14 HG13 VAL 14 8.035 5.172 0.502
97 HG21 VAL 14 HG21 VAL 14 7.609 2.413 -0.787
98 HG22 VAL 14 HG22 VAL 14 7.749 3.963 -1.615
99 HG23 VAL 14 HG23 VAL 14 6.337 2.942 -1.886
100 H LYS 15 H LYS 15 3.778 4.940 0.685
101 HA LYS 15 HA LYS 15 3.887 5.237 3.595
102 HB2 LYS 15 HB2 LYS 15 3.055 7.498 3.261
103 HB3 LYS 15 HB3 LYS 15 4.490 7.212 2.293
104 HG2 LYS 15 HG2 LYS 15 3.249 7.105 0.294
105 HG3 LYS 15 HG3 LYS 15 1.719 6.988 1.167
106 HD2 LYS 15 HD2 LYS 15 2.025 9.257 2.024
107 HD3 LYS 15 HD3 LYS 15 3.570 9.371 1.184
108 HE2 LYS 15 HE2 LYS 15 0.986 8.845 -0.262
109 HE3 LYS 15 HE3 LYS 15 1.566 10.476 0.068
110 HZ1 LYS 15 HZ1 LYS 15 2.982 8.396 -1.515
111 HZ2 LYS 15 HZ2 LYS 15 3.605 9.920 -1.139
112 HZ3 LYS 15 HZ3 LYS 15 2.236 9.789 -2.117
113 H GLY 16 H GLY 16 2.066 3.562 1.598
114 HA2 GLY 16 HA2 GLY 16 -0.554 4.377 2.541
115 HA3 GLY 16 HA3 GLY 16 -0.200 3.055 1.435
116 H THR 17 H THR 17 -2.027 2.646 3.348
117 HA THR 17 HA THR 17 -0.667 1.125 5.460
118 HB THR 17 HB THR 17 -3.013 1.055 6.466
119 HG1 THR 17 HG1 THR 17 -4.217 1.689 4.674
120 HG21 THR 17 HG21 THR 17 -1.242 2.501 7.341
121 HG22 THR 17 HG22 THR 17 -2.810 3.304 7.421
122 HG23 THR 17 HG23 THR 17 -1.661 3.738 6.154
123 H CYS 18 H CYS 18 -1.078 -1.036 5.752
124 HA CYS 18 HA CYS 18 -2.208 -2.430 3.467
125 HB2 CYS 18 HB2 CYS 18 -0.038 -3.127 4.455
126 HB3 CYS 18 HB3 CYS 18 -0.867 -3.512 5.955
127 H GLU 19 H GLU 19 -4.394 -2.186 3.600
128 HA GLU 19 HA GLU 19 -5.693 -3.258 6.018
129 HB2 GLU 19 HB2 GLU 19 -6.568 -1.042 4.171
130 HB3 GLU 19 HB3 GLU 19 -7.641 -1.794 5.339
131 HG2 GLU 19 HG2 GLU 19 -5.087 -0.343 5.990
132 HG3 GLU 19 HG3 GLU 19 -6.716 0.302 6.174
133 H ASN 20 H ASN 20 -6.667 -5.090 5.692
134 HA ASN 20 HA ASN 20 -7.579 -6.905 4.710
135 HB2 ASN 20 HB2 ASN 20 -9.705 -6.482 3.512
136 HB3 ASN 20 HB3 ASN 20 -9.574 -5.612 5.028
137 HD21 ASN 20 HD21 ASN 20 -9.734 -5.346 1.576
138 HD22 ASN 20 HD22 ASN 20 -9.985 -3.638 1.519
139 H GLY 21 H GLY 21 -5.257 -6.168 3.349
140 HA2 GLY 21 HA2 GLY 21 -4.214 -7.260 1.561
141 HA3 GLY 21 HA3 GLY 21 -5.798 -7.606 0.883
142 H LYS 22 H LYS 22 -6.026 -4.493 1.571
143 HA LYS 22 HA LYS 22 -5.183 -3.693 -1.126
144 HB2 LYS 22 HB2 LYS 22 -7.610 -3.576 -0.699
145 HB3 LYS 22 HB3 LYS 22 -7.313 -2.537 0.684
146 HG2 LYS 22 HG2 LYS 22 -8.056 -1.195 -1.150
147 HG3 LYS 22 HG3 LYS 22 -6.356 -0.841 -0.843
148 HD2 LYS 22 HD2 LYS 22 -5.690 -2.235 -2.704
149 HD3 LYS 22 HD3 LYS 22 -7.366 -2.723 -2.974
150 HE2 LYS 22 HE2 LYS 22 -7.943 -0.365 -3.440
151 HE3 LYS 22 HE3 LYS 22 -6.245 0.064 -3.243
152 HZ1 LYS 22 HZ1 LYS 22 -7.325 -1.799 -5.287
153 HZ2 LYS 22 HZ2 LYS 22 -5.700 -1.365 -5.106
154 HZ3 LYS 22 HZ3 LYS 22 -6.836 -0.205 -5.567
155 H CYS 23 H CYS 23 -3.602 -2.244 -1.287
156 HA CYS 23 HA CYS 23 -2.578 -0.980 1.094
157 HB2 CYS 23 HB2 CYS 23 -1.088 -1.820 -0.725
158 HB3 CYS 23 HB3 CYS 23 -1.716 -0.547 -1.767
159 H VAL 24 H VAL 24 -3.495 0.736 1.883
160 HA VAL 24 HA VAL 24 -5.020 2.506 0.113
161 HB VAL 24 HB VAL 24 -5.070 2.332 3.129
162 HG11 VAL 24 HG11 VAL 24 -5.761 4.508 2.275
163 HG12 VAL 24 HG12 VAL 24 -7.137 3.633 2.945
164 HG13 VAL 24 HG13 VAL 24 -6.920 3.729 1.198
165 HG21 VAL 24 HG21 VAL 24 -7.201 1.153 2.858
166 HG22 VAL 24 HG22 VAL 24 -5.874 0.259 2.118
167 HG23 VAL 24 HG23 VAL 24 -6.990 1.175 1.107
168 H CYS 25 H CYS 25 -3.583 3.949 -0.681
169 HA CYS 25 HA CYS 25 -1.820 5.349 1.182
170 HB2 CYS 25 HB2 CYS 25 -0.854 6.323 -0.952
171 HB3 CYS 25 HB3 CYS 25 -0.623 4.596 -0.712
172 H GLY 26 H GLY 26 -4.406 5.901 1.590
173 HA2 GLY 26 HA2 GLY 26 -4.527 8.699 1.398
174 HA3 GLY 26 HA3 GLY 26 -5.562 7.997 0.160
175 H SER 27 H SER 27 -7.350 9.003 1.307
176 HA SER 27 HA SER 27 -8.285 7.262 3.469
177 HB2 SER 27 HB2 SER 27 -7.392 9.394 4.444
178 HB3 SER 27 HB3 SER 27 -8.591 10.277 3.501
179 HG SER 27 HG SER 27 -10.119 9.659 4.831
Start of MODEL 6
1 H1 LEU 1 H1 LEU 1 5.189 -0.271 6.346
2 H2 LEU 1 H2 LEU 1 4.255 0.876 5.531
3 H3 LEU 1 H3 LEU 1 5.898 1.163 5.798
4 HA LEU 1 HA LEU 1 5.469 0.529 3.514
5 HB2 LEU 1 HB2 LEU 1 7.600 -0.038 4.706
6 HB3 LEU 1 HB3 LEU 1 6.927 -1.616 5.060
7 HG LEU 1 HG LEU 1 6.787 -2.059 2.614
8 HD11 LEU 1 HD11 LEU 1 6.677 0.201 1.777
9 HD12 LEU 1 HD12 LEU 1 8.101 -0.599 1.116
10 HD13 LEU 1 HD13 LEU 1 8.273 0.558 2.434
11 HD21 LEU 1 HD21 LEU 1 9.524 -1.333 3.647
12 HD22 LEU 1 HD22 LEU 1 9.170 -2.437 2.317
13 HD23 LEU 1 HD23 LEU 1 8.671 -2.845 3.959
14 H CYS 2 H CYS 2 3.819 -0.293 2.415
15 HA CYS 2 HA CYS 2 2.228 -2.430 3.539
16 HB2 CYS 2 HB2 CYS 2 1.143 -0.469 2.534
17 HB3 CYS 2 HB3 CYS 2 1.899 -0.838 0.988
18 H LEU 3 H LEU 3 3.327 -4.317 3.368
19 HA LEU 3 HA LEU 3 4.143 -5.163 0.672
20 HB2 LEU 3 HB2 LEU 3 5.067 -6.124 3.373
21 HB3 LEU 3 HB3 LEU 3 5.549 -6.847 1.852
22 HG LEU 3 HG LEU 3 6.144 -4.020 2.720
23 HD11 LEU 3 HD11 LEU 3 8.466 -4.792 2.832
24 HD12 LEU 3 HD12 LEU 3 7.932 -6.432 2.471
25 HD13 LEU 3 HD13 LEU 3 7.433 -5.652 3.971
26 HD21 LEU 3 HD21 LEU 3 6.919 -5.542 0.235
27 HD22 LEU 3 HD22 LEU 3 7.615 -3.999 0.722
28 HD23 LEU 3 HD23 LEU 3 5.901 -4.105 0.325
29 H SER 4 H SER 4 2.344 -6.153 3.544
30 HA SER 4 HA SER 4 1.687 -8.740 2.518
31 HB2 SER 4 HB2 SER 4 1.771 -8.302 4.931
32 HB3 SER 4 HB3 SER 4 0.438 -7.161 4.778
33 HG SER 4 HG SER 4 -0.611 -9.182 3.752
34 H CYS 5 H CYS 5 0.658 -5.722 1.660
35 HA CYS 5 HA CYS 5 -1.915 -6.755 0.693
36 HB2 CYS 5 HB2 CYS 5 -1.191 -3.982 1.615
37 HB3 CYS 5 HB3 CYS 5 -2.630 -4.324 0.665
38 H ARG 6 H ARG 6 -2.661 -5.702 -1.317
39 HA ARG 6 HA ARG 6 -0.397 -4.966 -3.053
40 HB2 ARG 6 HB2 ARG 6 -1.451 -6.131 -4.881
41 HB3 ARG 6 HB3 ARG 6 -1.320 -7.236 -3.524
42 HG2 ARG 6 HG2 ARG 6 -3.612 -7.124 -3.061
43 HG3 ARG 6 HG3 ARG 6 -3.830 -5.690 -4.063
44 HD2 ARG 6 HD2 ARG 6 -4.724 -7.660 -5.174
45 HD3 ARG 6 HD3 ARG 6 -3.347 -7.013 -6.062
46 HE ARG 6 HE ARG 6 -2.545 -9.061 -4.252
47 HH11 ARG 6 HH11 ARG 6 -4.089 -8.532 -7.350
48 HH12 ARG 6 HH12 ARG 6 -3.615 -10.071 -7.993
49 HH21 ARG 6 HH21 ARG 6 -1.923 -11.097 -5.096
50 HH22 ARG 6 HH22 ARG 6 -2.384 -11.535 -6.710
51 H GLY 7 H GLY 7 -1.184 -3.757 -5.047
52 HA2 GLY 7 HA2 GLY 7 -3.013 -2.542 -6.071
53 HA3 GLY 7 HA3 GLY 7 -3.611 -2.198 -4.458
54 H GLY 8 H GLY 8 -2.641 -0.604 -6.891
55 HA2 GLY 8 HA2 GLY 8 -2.066 1.662 -6.909
56 HA3 GLY 8 HA3 GLY 8 -1.467 1.498 -5.268
57 H ASP 9 H ASP 9 0.102 2.943 -6.696
58 HA ASP 9 HA ASP 9 2.117 1.344 -8.034
59 HB2 ASP 9 HB2 ASP 9 3.164 3.392 -8.625
60 HB3 ASP 9 HB3 ASP 9 1.437 3.691 -8.776
61 H TYR 10 H TYR 10 4.479 2.143 -7.348
62 HA TYR 10 HA TYR 10 5.061 0.865 -4.969
63 HB2 TYR 10 HB2 TYR 10 6.753 1.254 -6.672
64 HB3 TYR 10 HB3 TYR 10 6.663 2.990 -6.394
65 HD1 TYR 10 HD1 TYR 10 7.863 4.011 -4.622
66 HD2 TYR 10 HD2 TYR 10 7.684 -0.224 -4.901
67 HE1 TYR 10 HE1 TYR 10 9.618 3.834 -2.913
68 HE2 TYR 10 HE2 TYR 10 9.437 -0.418 -3.191
69 HH TYR 10 HH TYR 10 10.396 2.136 -1.233
70 H ASP 11 H ASP 11 4.818 4.363 -5.571
71 HA ASP 11 HA ASP 11 5.550 5.129 -2.968
72 HB2 ASP 11 HB2 ASP 11 5.585 6.700 -4.859
73 HB3 ASP 11 HB3 ASP 11 3.827 6.639 -4.933
74 H CYS 12 H CYS 12 2.478 4.299 -4.423
75 HA CYS 12 HA CYS 12 0.825 5.129 -2.294
76 HB2 CYS 12 HB2 CYS 12 -0.006 4.619 -4.566
77 HB3 CYS 12 HB3 CYS 12 0.353 2.919 -4.296
78 H ARG 13 H ARG 13 2.850 2.361 -2.762
79 HA ARG 13 HA ARG 13 1.536 0.878 -0.627
80 HB2 ARG 13 HB2 ARG 13 3.990 0.099 -2.208
81 HB3 ARG 13 HB3 ARG 13 2.981 -0.956 -1.228
82 HG2 ARG 13 HG2 ARG 13 1.110 -0.580 -2.763
83 HG3 ARG 13 HG3 ARG 13 2.141 0.455 -3.750
84 HD2 ARG 13 HD2 ARG 13 2.147 -1.634 -4.819
85 HD3 ARG 13 HD3 ARG 13 3.686 -1.538 -3.972
86 HE ARG 13 HE ARG 13 2.080 -2.827 -2.211
87 HH11 ARG 13 HH11 ARG 13 2.858 -3.308 -5.580
88 HH12 ARG 13 HH12 ARG 13 2.654 -5.027 -5.519
89 HH21 ARG 13 HH21 ARG 13 1.783 -5.119 -2.124
90 HH22 ARG 13 HH22 ARG 13 2.061 -6.061 -3.561
91 H VAL 14 H VAL 14 4.372 2.828 -1.180
92 HA VAL 14 HA VAL 14 5.609 2.002 1.294
93 HB VAL 14 HB VAL 14 6.886 2.703 -0.788
94 HG11 VAL 14 HG11 VAL 14 5.540 4.762 -1.180
95 HG12 VAL 14 HG12 VAL 14 7.284 5.006 -1.215
96 HG13 VAL 14 HG13 VAL 14 6.353 5.491 0.203
97 HG21 VAL 14 HG21 VAL 14 8.008 2.381 1.319
98 HG22 VAL 14 HG22 VAL 14 7.535 3.990 1.855
99 HG23 VAL 14 HG23 VAL 14 8.672 3.808 0.522
100 H LYS 15 H LYS 15 3.439 4.465 0.221
101 HA LYS 15 HA LYS 15 3.701 5.912 2.760
102 HB2 LYS 15 HB2 LYS 15 2.080 6.600 0.303
103 HB3 LYS 15 HB3 LYS 15 2.266 7.614 1.725
104 HG2 LYS 15 HG2 LYS 15 4.508 6.794 -0.103
105 HG3 LYS 15 HG3 LYS 15 3.636 8.322 -0.196
106 HD2 LYS 15 HD2 LYS 15 4.322 8.650 2.248
107 HD3 LYS 15 HD3 LYS 15 5.458 7.326 1.975
108 HE2 LYS 15 HE2 LYS 15 5.348 9.955 0.497
109 HE3 LYS 15 HE3 LYS 15 6.586 9.438 1.638
110 HZ1 LYS 15 HZ1 LYS 15 7.174 7.654 0.091
111 HZ2 LYS 15 HZ2 LYS 15 7.359 9.179 -0.608
112 HZ3 LYS 15 HZ3 LYS 15 6.026 8.222 -1.020
113 H GLY 16 H GLY 16 1.885 3.471 1.342
114 HA2 GLY 16 HA2 GLY 16 -0.636 4.310 2.564
115 HA3 GLY 16 HA3 GLY 16 -0.451 3.079 1.327
116 H THR 17 H THR 17 -2.001 2.754 3.566
117 HA THR 17 HA THR 17 -0.498 1.013 5.363
118 HB THR 17 HB THR 17 -2.945 0.924 6.400
119 HG1 THR 17 HG1 THR 17 -4.244 2.262 5.383
120 HG21 THR 17 HG21 THR 17 -2.328 2.801 7.840
121 HG22 THR 17 HG22 THR 17 -1.108 3.306 6.670
122 HG23 THR 17 HG23 THR 17 -0.933 1.771 7.520
123 H CYS 18 H CYS 18 -0.986 -1.129 5.645
124 HA CYS 18 HA CYS 18 -2.161 -2.452 3.361
125 HB2 CYS 18 HB2 CYS 18 -0.080 -3.294 4.332
126 HB3 CYS 18 HB3 CYS 18 -0.874 -3.520 5.880
127 H GLU 19 H GLU 19 -4.343 -2.138 3.422
128 HA GLU 19 HA GLU 19 -5.741 -3.134 5.813
129 HB2 GLU 19 HB2 GLU 19 -6.509 -0.871 3.975
130 HB3 GLU 19 HB3 GLU 19 -7.559 -1.528 5.219
131 HG2 GLU 19 HG2 GLU 19 -6.001 -0.852 6.940
132 HG3 GLU 19 HG3 GLU 19 -4.865 -0.284 5.721
133 H ASN 20 H ASN 20 -6.595 -5.006 5.387
134 HA ASN 20 HA ASN 20 -7.823 -6.662 4.455
135 HB2 ASN 20 HB2 ASN 20 -9.512 -4.786 4.584
136 HB3 ASN 20 HB3 ASN 20 -9.197 -4.488 2.882
137 HD21 ASN 20 HD21 ASN 20 -11.249 -4.974 2.230
138 HD22 ASN 20 HD22 ASN 20 -11.905 -6.573 2.269
139 H GLY 21 H GLY 21 -5.351 -6.108 3.215
140 HA2 GLY 21 HA2 GLY 21 -4.273 -7.186 1.460
141 HA3 GLY 21 HA3 GLY 21 -5.838 -7.502 0.733
142 H LYS 22 H LYS 22 -5.694 -4.256 1.502
143 HA LYS 22 HA LYS 22 -4.661 -3.619 -1.180
144 HB2 LYS 22 HB2 LYS 22 -7.148 -3.392 -0.974
145 HB3 LYS 22 HB3 LYS 22 -6.886 -2.174 0.263
146 HG2 LYS 22 HG2 LYS 22 -5.703 -0.775 -1.364
147 HG3 LYS 22 HG3 LYS 22 -5.995 -1.990 -2.611
148 HD2 LYS 22 HD2 LYS 22 -8.436 -1.701 -2.235
149 HD3 LYS 22 HD3 LYS 22 -8.066 -0.393 -1.111
150 HE2 LYS 22 HE2 LYS 22 -7.284 -0.457 -4.026
151 HE3 LYS 22 HE3 LYS 22 -8.655 0.430 -3.364
152 HZ1 LYS 22 HZ1 LYS 22 -7.130 1.753 -2.049
153 HZ2 LYS 22 HZ2 LYS 22 -6.727 1.852 -3.690
154 HZ3 LYS 22 HZ3 LYS 22 -5.808 0.887 -2.655
155 H CYS 23 H CYS 23 -3.121 -2.134 -1.287
156 HA CYS 23 HA CYS 23 -2.193 -0.795 1.081
157 HB2 CYS 23 HB2 CYS 23 -1.374 -0.508 -1.818
158 HB3 CYS 23 HB3 CYS 23 -0.556 0.261 -0.463
159 H VAL 24 H VAL 24 -3.506 0.715 1.856
160 HA VAL 24 HA VAL 24 -4.903 2.516 0.031
161 HB VAL 24 HB VAL 24 -5.137 2.292 3.036
162 HG11 VAL 24 HG11 VAL 24 -5.837 4.462 2.148
163 HG12 VAL 24 HG12 VAL 24 -7.217 3.543 2.750
164 HG13 VAL 24 HG13 VAL 24 -6.919 3.652 1.014
165 HG21 VAL 24 HG21 VAL 24 -5.817 0.211 1.957
166 HG22 VAL 24 HG22 VAL 24 -6.886 1.109 0.878
167 HG23 VAL 24 HG23 VAL 24 -7.217 1.064 2.611
168 H CYS 25 H CYS 25 -3.711 4.184 -0.600
169 HA CYS 25 HA CYS 25 -1.886 5.422 1.330
170 HB2 CYS 25 HB2 CYS 25 -0.804 6.425 -0.691
171 HB3 CYS 25 HB3 CYS 25 -0.740 4.666 -0.633
172 H GLY 26 H GLY 26 -3.940 6.360 2.211
173 HA2 GLY 26 HA2 GLY 26 -4.518 8.883 0.808
174 HA3 GLY 26 HA3 GLY 26 -5.819 7.903 1.463
175 H SER 27 H SER 27 -2.816 8.102 3.172
176 HA SER 27 HA SER 27 -4.044 9.980 5.080
177 HB2 SER 27 HB2 SER 27 -2.238 7.635 5.726
178 HB3 SER 27 HB3 SER 27 -2.914 8.771 6.893
179 HG SER 27 HG SER 27 -4.525 7.233 5.146
Start of MODEL 7
1 H1 LEU 1 H1 LEU 1 3.118 0.820 6.432
2 H2 LEU 1 H2 LEU 1 2.556 1.864 5.226
3 H3 LEU 1 H3 LEU 1 4.064 2.133 5.941
4 HA LEU 1 HA LEU 1 4.271 1.175 3.736
5 HB2 LEU 1 HB2 LEU 1 5.102 -0.567 6.056
6 HB3 LEU 1 HB3 LEU 1 5.657 -0.825 4.414
7 HG LEU 1 HG LEU 1 6.164 1.679 6.030
8 HD11 LEU 1 HD11 LEU 1 8.466 0.876 6.168
9 HD12 LEU 1 HD12 LEU 1 7.996 -0.620 5.359
10 HD13 LEU 1 HD13 LEU 1 7.348 -0.237 6.953
11 HD21 LEU 1 HD21 LEU 1 7.787 2.165 4.227
12 HD22 LEU 1 HD22 LEU 1 6.117 2.149 3.664
13 HD23 LEU 1 HD23 LEU 1 7.171 0.775 3.333
14 H CYS 2 H CYS 2 3.675 -0.284 2.251
15 HA CYS 2 HA CYS 2 1.936 -2.506 3.061
16 HB2 CYS 2 HB2 CYS 2 0.569 -0.600 2.212
17 HB3 CYS 2 HB3 CYS 2 1.460 -0.674 0.702
18 H LEU 3 H LEU 3 4.380 -3.143 2.801
19 HA LEU 3 HA LEU 3 5.209 -3.482 0.042
20 HB2 LEU 3 HB2 LEU 3 6.573 -4.292 2.606
21 HB3 LEU 3 HB3 LEU 3 7.288 -4.353 1.008
22 HG LEU 3 HG LEU 3 6.458 -1.856 2.490
23 HD11 LEU 3 HD11 LEU 3 9.177 -2.941 1.783
24 HD12 LEU 3 HD12 LEU 3 8.470 -2.858 3.397
25 HD13 LEU 3 HD13 LEU 3 8.856 -1.374 2.528
26 HD21 LEU 3 HD21 LEU 3 7.711 -2.187 -0.233
27 HD22 LEU 3 HD22 LEU 3 7.549 -0.657 0.627
28 HD23 LEU 3 HD23 LEU 3 6.109 -1.540 0.120
29 H SER 4 H SER 4 3.856 -5.360 2.633
30 HA SER 4 HA SER 4 4.417 -7.881 1.314
31 HB2 SER 4 HB2 SER 4 3.120 -8.820 3.257
32 HB3 SER 4 HB3 SER 4 4.542 -7.881 3.711
33 HG SER 4 HG SER 4 1.817 -7.099 3.803
34 H CYS 5 H CYS 5 2.356 -5.552 0.580
35 HA CYS 5 HA CYS 5 0.234 -7.402 -0.237
36 HB2 CYS 5 HB2 CYS 5 -0.233 -4.629 0.882
37 HB3 CYS 5 HB3 CYS 5 -1.474 -5.756 0.346
38 H ARG 6 H ARG 6 -1.214 -6.278 -1.916
39 HA ARG 6 HA ARG 6 0.328 -4.388 -3.543
40 HB2 ARG 6 HB2 ARG 6 -0.263 -5.564 -5.598
41 HB3 ARG 6 HB3 ARG 6 0.644 -6.618 -4.530
42 HG2 ARG 6 HG2 ARG 6 -2.342 -6.696 -4.548
43 HG3 ARG 6 HG3 ARG 6 -1.414 -7.537 -5.790
44 HD2 ARG 6 HD2 ARG 6 -0.274 -8.842 -4.113
45 HD3 ARG 6 HD3 ARG 6 -1.050 -7.924 -2.823
46 HE ARG 6 HE ARG 6 -3.012 -9.089 -4.487
47 HH11 ARG 6 HH11 ARG 6 -0.638 -9.953 -2.071
48 HH12 ARG 6 HH12 ARG 6 -1.531 -11.323 -1.497
49 HH21 ARG 6 HH21 ARG 6 -4.189 -10.898 -3.753
50 HH22 ARG 6 HH22 ARG 6 -3.562 -11.862 -2.452
51 H GLY 7 H GLY 7 -1.187 -3.573 -5.387
52 HA2 GLY 7 HA2 GLY 7 -3.496 -3.075 -5.967
53 HA3 GLY 7 HA3 GLY 7 -3.871 -3.133 -4.250
54 H GLY 8 H GLY 8 -1.430 -1.511 -6.231
55 HA2 GLY 8 HA2 GLY 8 -2.308 1.077 -6.124
56 HA3 GLY 8 HA3 GLY 8 -1.459 0.837 -4.602
57 H ASP 9 H ASP 9 -0.360 2.702 -6.111
58 HA ASP 9 HA ASP 9 1.608 1.536 -7.879
59 HB2 ASP 9 HB2 ASP 9 0.479 3.899 -8.051
60 HB3 ASP 9 HB3 ASP 9 1.763 4.375 -6.946
61 H TYR 10 H TYR 10 3.942 2.625 -7.482
62 HA TYR 10 HA TYR 10 5.068 1.105 -5.428
63 HB2 TYR 10 HB2 TYR 10 6.315 1.845 -7.406
64 HB3 TYR 10 HB3 TYR 10 6.205 3.513 -6.861
65 HD1 TYR 10 HD1 TYR 10 7.620 4.339 -5.094
66 HD2 TYR 10 HD2 TYR 10 7.792 0.265 -6.289
67 HE1 TYR 10 HE1 TYR 10 9.722 4.074 -3.854
68 HE2 TYR 10 HE2 TYR 10 9.897 -0.017 -5.053
69 HH TYR 10 HH TYR 10 11.713 1.290 -4.183
70 H ASP 11 H ASP 11 4.790 4.644 -5.627
71 HA ASP 11 HA ASP 11 5.659 5.161 -3.018
72 HB2 ASP 11 HB2 ASP 11 4.651 7.390 -3.307
73 HB3 ASP 11 HB3 ASP 11 5.588 6.913 -4.716
74 H CYS 12 H CYS 12 2.577 4.212 -4.274
75 HA CYS 12 HA CYS 12 0.973 5.015 -2.102
76 HB2 CYS 12 HB2 CYS 12 0.117 4.386 -4.352
77 HB3 CYS 12 HB3 CYS 12 0.511 2.709 -3.999
78 H ARG 13 H ARG 13 3.096 2.304 -2.613
79 HA ARG 13 HA ARG 13 2.009 0.885 -0.324
80 HB2 ARG 13 HB2 ARG 13 4.498 0.204 -1.885
81 HB3 ARG 13 HB3 ARG 13 3.583 -0.855 -0.824
82 HG2 ARG 13 HG2 ARG 13 1.642 -0.448 -2.473
83 HG3 ARG 13 HG3 ARG 13 2.910 0.105 -3.572
84 HD2 ARG 13 HD2 ARG 13 2.642 -2.608 -2.283
85 HD3 ARG 13 HD3 ARG 13 2.518 -2.220 -3.996
86 HE ARG 13 HE ARG 13 4.992 -1.446 -3.558
87 HH11 ARG 13 HH11 ARG 13 3.353 -4.276 -2.309
88 HH12 ARG 13 HH12 ARG 13 4.797 -5.234 -2.238
89 HH21 ARG 13 HH21 ARG 13 6.894 -2.704 -3.474
90 HH22 ARG 13 HH22 ARG 13 6.814 -4.342 -2.911
91 H VAL 14 H VAL 14 4.419 3.200 -1.008
92 HA VAL 14 HA VAL 14 6.035 2.605 1.304
93 HB VAL 14 HB VAL 14 6.059 5.015 -0.520
94 HG11 VAL 14 HG11 VAL 14 7.025 5.516 1.664
95 HG12 VAL 14 HG12 VAL 14 8.273 5.468 0.417
96 HG13 VAL 14 HG13 VAL 14 8.083 4.110 1.526
97 HG21 VAL 14 HG21 VAL 14 8.029 3.966 -1.533
98 HG22 VAL 14 HG22 VAL 14 6.594 2.954 -1.703
99 HG23 VAL 14 HG23 VAL 14 7.811 2.562 -0.490
100 H LYS 15 H LYS 15 3.825 5.201 0.319
101 HA LYS 15 HA LYS 15 3.604 6.006 3.132
102 HB2 LYS 15 HB2 LYS 15 2.521 8.081 2.213
103 HB3 LYS 15 HB3 LYS 15 4.199 7.857 1.742
104 HG2 LYS 15 HG2 LYS 15 3.543 7.111 -0.443
105 HG3 LYS 15 HG3 LYS 15 1.843 7.165 0.015
106 HD2 LYS 15 HD2 LYS 15 1.876 9.536 0.191
107 HD3 LYS 15 HD3 LYS 15 3.636 9.583 0.073
108 HE2 LYS 15 HE2 LYS 15 2.490 10.260 -2.021
109 HE3 LYS 15 HE3 LYS 15 3.555 8.874 -2.227
110 HZ1 LYS 15 HZ1 LYS 15 1.465 7.498 -1.888
111 HZ2 LYS 15 HZ2 LYS 15 1.627 8.303 -3.364
112 HZ3 LYS 15 HZ3 LYS 15 0.604 8.927 -2.164
113 H GLY 16 H GLY 16 2.366 3.648 2.166
114 HA2 GLY 16 HA2 GLY 16 -0.435 4.372 2.667
115 HA3 GLY 16 HA3 GLY 16 -0.021 3.231 1.394
116 H THR 17 H THR 17 -1.744 2.472 3.303
117 HA THR 17 HA THR 17 -0.170 0.633 4.980
118 HB THR 17 HB THR 17 -2.384 0.659 6.382
119 HG1 THR 17 HG1 THR 17 -3.614 1.991 5.054
120 HG21 THR 17 HG21 THR 17 -1.497 2.495 7.758
121 HG22 THR 17 HG22 THR 17 -0.430 2.961 6.432
122 HG23 THR 17 HG23 THR 17 -0.219 1.402 7.228
123 H CYS 18 H CYS 18 -0.797 -1.510 5.008
124 HA CYS 18 HA CYS 18 -2.451 -2.374 2.818
125 HB2 CYS 18 HB2 CYS 18 -0.440 -3.650 3.426
126 HB3 CYS 18 HB3 CYS 18 -1.125 -3.979 5.014
127 H GLU 19 H GLU 19 -4.529 -1.976 3.070
128 HA GLU 19 HA GLU 19 -5.836 -2.800 5.578
129 HB2 GLU 19 HB2 GLU 19 -6.618 -0.658 3.598
130 HB3 GLU 19 HB3 GLU 19 -7.615 -1.165 4.952
131 HG2 GLU 19 HG2 GLU 19 -4.866 0.042 5.173
132 HG3 GLU 19 HG3 GLU 19 -6.386 0.901 5.417
133 H ASN 20 H ASN 20 -7.086 -4.513 5.395
134 HA ASN 20 HA ASN 20 -8.397 -6.162 4.556
135 HB2 ASN 20 HB2 ASN 20 -9.253 -3.967 2.665
136 HB3 ASN 20 HB3 ASN 20 -10.079 -5.507 2.845
137 HD21 ASN 20 HD21 ASN 20 -9.649 -5.577 5.746
138 HD22 ASN 20 HD22 ASN 20 -10.760 -4.430 6.411
139 H GLY 21 H GLY 21 -5.700 -5.842 3.527
140 HA2 GLY 21 HA2 GLY 21 -4.418 -7.096 2.064
141 HA3 GLY 21 HA3 GLY 21 -5.903 -7.688 1.333
142 H LYS 22 H LYS 22 -5.568 -4.263 1.576
143 HA LYS 22 HA LYS 22 -4.483 -4.118 -1.151
144 HB2 LYS 22 HB2 LYS 22 -6.968 -3.844 -1.203
145 HB3 LYS 22 HB3 LYS 22 -6.799 -2.460 -0.133
146 HG2 LYS 22 HG2 LYS 22 -5.296 -1.443 -1.892
147 HG3 LYS 22 HG3 LYS 22 -5.843 -2.732 -2.966
148 HD2 LYS 22 HD2 LYS 22 -8.156 -1.996 -2.668
149 HD3 LYS 22 HD3 LYS 22 -7.610 -0.715 -1.582
150 HE2 LYS 22 HE2 LYS 22 -6.937 -1.013 -4.509
151 HE3 LYS 22 HE3 LYS 22 -7.996 0.200 -3.788
152 HZ1 LYS 22 HZ1 LYS 22 -6.033 1.006 -2.531
153 HZ2 LYS 22 HZ2 LYS 22 -5.888 1.192 -4.198
154 HZ3 LYS 22 HZ3 LYS 22 -5.056 -0.054 -3.417
155 H CYS 23 H CYS 23 -3.206 -2.355 -1.578
156 HA CYS 23 HA CYS 23 -2.145 -0.917 0.660
157 HB2 CYS 23 HB2 CYS 23 -1.630 -0.680 -2.306
158 HB3 CYS 23 HB3 CYS 23 -0.740 0.204 -1.070
159 H VAL 24 H VAL 24 -3.385 0.568 1.556
160 HA VAL 24 HA VAL 24 -4.830 2.455 -0.168
161 HB VAL 24 HB VAL 24 -5.163 1.888 2.784
162 HG11 VAL 24 HG11 VAL 24 -6.771 3.689 0.969
163 HG12 VAL 24 HG12 VAL 24 -5.670 4.219 2.242
164 HG13 VAL 24 HG13 VAL 24 -7.136 3.330 2.659
165 HG21 VAL 24 HG21 VAL 24 -5.972 0.060 1.398
166 HG22 VAL 24 HG22 VAL 24 -6.917 1.191 0.430
167 HG23 VAL 24 HG23 VAL 24 -7.328 0.925 2.123
168 H CYS 25 H CYS 25 -3.689 4.202 -0.591
169 HA CYS 25 HA CYS 25 -1.885 5.247 1.472
170 HB2 CYS 25 HB2 CYS 25 -0.822 6.442 -0.519
171 HB3 CYS 25 HB3 CYS 25 -0.598 4.699 -0.417
172 H GLY 26 H GLY 26 -3.513 6.378 2.553
173 HA2 GLY 26 HA2 GLY 26 -4.445 8.439 3.073
174 HA3 GLY 26 HA3 GLY 26 -4.045 8.997 1.454
175 H SER 27 H SER 27 -5.365 7.904 -0.314
176 HA SER 27 HA SER 27 -7.944 6.898 0.309
177 HB2 SER 27 HB2 SER 27 -8.221 9.330 0.924
178 HB3 SER 27 HB3 SER 27 -7.895 9.732 -0.762
179 HG SER 27 HG SER 27 -10.178 9.494 -0.078
Start of MODEL 8
1 H1 LEU 1 H1 LEU 1 2.732 1.561 4.825
2 H2 LEU 1 H2 LEU 1 4.328 1.983 5.185
3 H3 LEU 1 H3 LEU 1 3.637 0.606 5.883
4 HA LEU 1 HA LEU 1 4.176 0.994 3.002
5 HB2 LEU 1 HB2 LEU 1 6.230 0.662 4.268
6 HB3 LEU 1 HB3 LEU 1 5.536 -0.718 5.091
7 HG LEU 1 HG LEU 1 5.421 -1.899 2.878
8 HD11 LEU 1 HD11 LEU 1 7.097 0.432 1.957
9 HD12 LEU 1 HD12 LEU 1 5.465 0.042 1.411
10 HD13 LEU 1 HD13 LEU 1 6.800 -1.049 1.050
11 HD21 LEU 1 HD21 LEU 1 8.134 -1.002 3.838
12 HD22 LEU 1 HD22 LEU 1 7.827 -2.393 2.798
13 HD23 LEU 1 HD23 LEU 1 7.202 -2.369 4.446
14 H CYS 2 H CYS 2 3.019 -0.266 1.716
15 HA CYS 2 HA CYS 2 1.234 -2.241 2.847
16 HB2 CYS 2 HB2 CYS 2 1.668 -1.484 -0.046
17 HB3 CYS 2 HB3 CYS 2 0.302 -2.375 0.612
18 H LEU 3 H LEU 3 2.858 -3.689 3.608
19 HA LEU 3 HA LEU 3 4.558 -4.954 1.623
20 HB2 LEU 3 HB2 LEU 3 5.404 -4.228 3.864
21 HB3 LEU 3 HB3 LEU 3 4.395 -5.464 4.587
22 HG LEU 3 HG LEU 3 5.669 -7.202 3.408
23 HD11 LEU 3 HD11 LEU 3 7.293 -4.869 2.409
24 HD12 LEU 3 HD12 LEU 3 6.382 -6.031 1.443
25 HD13 LEU 3 HD13 LEU 3 7.814 -6.551 2.327
26 HD21 LEU 3 HD21 LEU 3 6.333 -6.552 5.656
27 HD22 LEU 3 HD22 LEU 3 7.369 -5.286 5.000
28 HD23 LEU 3 HD23 LEU 3 7.744 -6.980 4.690
29 H SER 4 H SER 4 1.832 -5.732 3.715
30 HA SER 4 HA SER 4 1.928 -8.528 2.898
31 HB2 SER 4 HB2 SER 4 0.048 -7.120 4.801
32 HB3 SER 4 HB3 SER 4 0.174 -8.864 4.570
33 HG SER 4 HG SER 4 2.600 -8.118 5.073
34 H CYS 5 H CYS 5 1.072 -6.143 1.155
35 HA CYS 5 HA CYS 5 -1.150 -7.448 -0.113
36 HB2 CYS 5 HB2 CYS 5 -2.585 -5.349 0.038
37 HB3 CYS 5 HB3 CYS 5 -2.455 -6.310 1.507
38 H ARG 6 H ARG 6 -1.872 -6.221 -2.054
39 HA ARG 6 HA ARG 6 0.340 -4.641 -3.193
40 HB2 ARG 6 HB2 ARG 6 -1.646 -6.464 -4.554
41 HB3 ARG 6 HB3 ARG 6 -0.514 -5.428 -5.408
42 HG2 ARG 6 HG2 ARG 6 1.354 -6.639 -4.417
43 HG3 ARG 6 HG3 ARG 6 0.221 -7.669 -3.539
44 HD2 ARG 6 HD2 ARG 6 -0.687 -8.489 -5.650
45 HD3 ARG 6 HD3 ARG 6 0.411 -7.435 -6.542
46 HE ARG 6 HE ARG 6 1.795 -9.196 -4.763
47 HH11 ARG 6 HH11 ARG 6 0.257 -8.985 -7.897
48 HH12 ARG 6 HH12 ARG 6 1.224 -10.240 -8.602
49 HH21 ARG 6 HH21 ARG 6 3.071 -10.862 -5.679
50 HH22 ARG 6 HH22 ARG 6 2.819 -11.314 -7.335
51 H GLY 7 H GLY 7 -0.703 -3.483 -5.287
52 HA2 GLY 7 HA2 GLY 7 -2.711 -2.312 -6.035
53 HA3 GLY 7 HA3 GLY 7 -3.100 -2.048 -4.342
54 H GLY 8 H GLY 8 -2.255 -0.417 -6.913
55 HA2 GLY 8 HA2 GLY 8 -1.594 1.815 -7.024
56 HA3 GLY 8 HA3 GLY 8 -1.072 1.711 -5.353
57 H ASP 9 H ASP 9 0.558 3.073 -6.881
58 HA ASP 9 HA ASP 9 2.615 1.357 -7.992
59 HB2 ASP 9 HB2 ASP 9 3.673 3.347 -8.743
60 HB3 ASP 9 HB3 ASP 9 1.950 3.617 -8.974
61 H TYR 10 H TYR 10 4.958 2.264 -7.313
62 HA TYR 10 HA TYR 10 5.492 1.254 -4.791
63 HB2 TYR 10 HB2 TYR 10 7.224 1.524 -6.491
64 HB3 TYR 10 HB3 TYR 10 7.088 3.273 -6.371
65 HD1 TYR 10 HD1 TYR 10 8.110 4.478 -4.562
66 HD2 TYR 10 HD2 TYR 10 8.247 0.232 -4.681
67 HE1 TYR 10 HE1 TYR 10 9.812 4.492 -2.790
68 HE2 TYR 10 HE2 TYR 10 9.951 0.230 -2.912
69 HH TYR 10 HH TYR 10 11.637 1.737 -1.969
70 H ASP 11 H ASP 11 5.135 4.636 -5.793
71 HA ASP 11 HA ASP 11 5.735 5.782 -3.297
72 HB2 ASP 11 HB2 ASP 11 5.800 7.070 -5.362
73 HB3 ASP 11 HB3 ASP 11 4.067 6.855 -5.574
74 H CYS 12 H CYS 12 2.801 4.429 -4.585
75 HA CYS 12 HA CYS 12 1.105 5.452 -2.515
76 HB2 CYS 12 HB2 CYS 12 0.064 4.865 -4.577
77 HB3 CYS 12 HB3 CYS 12 0.793 3.265 -4.569
78 H ARG 13 H ARG 13 2.934 2.494 -3.068
79 HA ARG 13 HA ARG 13 1.758 1.105 -0.843
80 HB2 ARG 13 HB2 ARG 13 4.244 0.391 -2.405
81 HB3 ARG 13 HB3 ARG 13 3.290 -0.686 -1.393
82 HG2 ARG 13 HG2 ARG 13 1.381 -0.370 -2.933
83 HG3 ARG 13 HG3 ARG 13 2.424 0.610 -3.966
84 HD2 ARG 13 HD2 ARG 13 3.960 -1.363 -4.123
85 HD3 ARG 13 HD3 ARG 13 2.726 -2.310 -3.293
86 HE ARG 13 HE ARG 13 1.707 -0.950 -5.596
87 HH11 ARG 13 HH11 ARG 13 3.397 -3.801 -4.501
88 HH12 ARG 13 HH12 ARG 13 3.007 -4.730 -5.911
89 HH21 ARG 13 HH21 ARG 13 1.171 -2.164 -7.450
90 HH22 ARG 13 HH22 ARG 13 1.725 -3.806 -7.589
91 H VAL 14 H VAL 14 4.593 3.059 -1.375
92 HA VAL 14 HA VAL 14 6.104 2.114 0.814
93 HB VAL 14 HB VAL 14 7.131 3.312 -1.071
94 HG11 VAL 14 HG11 VAL 14 5.386 4.994 -1.428
95 HG12 VAL 14 HG12 VAL 14 6.987 5.721 -1.277
96 HG13 VAL 14 HG13 VAL 14 5.858 5.789 0.076
97 HG21 VAL 14 HG21 VAL 14 7.540 4.635 1.604
98 HG22 VAL 14 HG22 VAL 14 8.650 4.745 0.237
99 HG23 VAL 14 HG23 VAL 14 8.355 3.190 1.012
100 H LYS 15 H LYS 15 3.559 4.471 0.554
101 HA LYS 15 HA LYS 15 3.850 4.973 3.431
102 HB2 LYS 15 HB2 LYS 15 3.231 7.297 3.128
103 HB3 LYS 15 HB3 LYS 15 4.660 6.921 2.177
104 HG2 LYS 15 HG2 LYS 15 3.377 6.844 0.159
105 HG3 LYS 15 HG3 LYS 15 1.873 7.016 1.060
106 HD2 LYS 15 HD2 LYS 15 4.076 9.062 0.808
107 HD3 LYS 15 HD3 LYS 15 2.474 9.138 0.075
108 HE2 LYS 15 HE2 LYS 15 3.130 9.239 3.018
109 HE3 LYS 15 HE3 LYS 15 2.522 10.558 2.023
110 HZ1 LYS 15 HZ1 LYS 15 0.746 9.611 3.308
111 HZ2 LYS 15 HZ2 LYS 15 1.063 8.065 2.707
112 HZ3 LYS 15 HZ3 LYS 15 0.480 9.274 1.669
113 H GLY 16 H GLY 16 2.134 3.215 1.704
114 HA2 GLY 16 HA2 GLY 16 -0.508 4.268 2.382
115 HA3 GLY 16 HA3 GLY 16 -0.182 2.899 1.323
116 H THR 17 H THR 17 -2.071 2.822 3.337
117 HA THR 17 HA THR 17 -0.858 1.208 5.454
118 HB THR 17 HB THR 17 -3.175 1.258 6.435
119 HG1 THR 17 HG1 THR 17 -4.120 1.795 4.285
120 HG21 THR 17 HG21 THR 17 -1.897 3.940 5.887
121 HG22 THR 17 HG22 THR 17 -1.457 2.829 7.184
122 HG23 THR 17 HG23 THR 17 -3.046 3.592 7.179
123 H CYS 18 H CYS 18 -1.113 -0.947 5.546
124 HA CYS 18 HA CYS 18 -2.346 -2.260 3.274
125 HB2 CYS 18 HB2 CYS 18 -0.097 -2.886 4.331
126 HB3 CYS 18 HB3 CYS 18 -1.038 -3.591 5.640
127 H GLU 19 H GLU 19 -4.531 -2.159 3.478
128 HA GLU 19 HA GLU 19 -5.691 -3.119 6.012
129 HB2 GLU 19 HB2 GLU 19 -6.616 -0.933 4.165
130 HB3 GLU 19 HB3 GLU 19 -7.649 -1.632 5.397
131 HG2 GLU 19 HG2 GLU 19 -4.998 -0.339 5.974
132 HG3 GLU 19 HG3 GLU 19 -6.544 0.504 6.048
133 H ASN 20 H ASN 20 -6.540 -5.040 5.733
134 HA ASN 20 HA ASN 20 -7.823 -6.742 4.962
135 HB2 ASN 20 HB2 ASN 20 -9.520 -4.872 5.057
136 HB3 ASN 20 HB3 ASN 20 -9.256 -4.637 3.336
137 HD21 ASN 20 HD21 ASN 20 -10.500 -6.777 5.778
138 HD22 ASN 20 HD22 ASN 20 -11.478 -7.734 4.723
139 H GLY 21 H GLY 21 -5.396 -6.284 3.646
140 HA2 GLY 21 HA2 GLY 21 -4.294 -7.288 1.882
141 HA3 GLY 21 HA3 GLY 21 -5.855 -7.822 1.268
142 H LYS 22 H LYS 22 -5.794 -4.518 1.909
143 HA LYS 22 HA LYS 22 -5.303 -3.931 -0.932
144 HB2 LYS 22 HB2 LYS 22 -7.682 -3.830 -0.461
145 HB3 LYS 22 HB3 LYS 22 -7.399 -2.795 0.928
146 HG2 LYS 22 HG2 LYS 22 -8.242 -1.488 -0.904
147 HG3 LYS 22 HG3 LYS 22 -6.569 -1.036 -0.576
148 HD2 LYS 22 HD2 LYS 22 -5.797 -2.311 -2.459
149 HD3 LYS 22 HD3 LYS 22 -7.410 -2.975 -2.726
150 HE2 LYS 22 HE2 LYS 22 -6.656 -0.061 -2.946
151 HE3 LYS 22 HE3 LYS 22 -6.881 -1.162 -4.304
152 HZ1 LYS 22 HZ1 LYS 22 -9.184 -1.455 -3.646
153 HZ2 LYS 22 HZ2 LYS 22 -8.847 0.179 -3.915
154 HZ3 LYS 22 HZ3 LYS 22 -8.973 -0.406 -2.334
155 H CYS 23 H CYS 23 -3.694 -2.561 -1.250
156 HA CYS 23 HA CYS 23 -2.523 -1.052 0.861
157 HB2 CYS 23 HB2 CYS 23 -1.233 -1.859 -1.092
158 HB3 CYS 23 HB3 CYS 23 -2.145 -0.763 -2.124
159 H VAL 24 H VAL 24 -3.481 0.630 1.731
160 HA VAL 24 HA VAL 24 -5.152 2.353 0.031
161 HB VAL 24 HB VAL 24 -5.213 2.096 3.039
162 HG11 VAL 24 HG11 VAL 24 -7.321 3.329 2.872
163 HG12 VAL 24 HG12 VAL 24 -7.095 3.475 1.129
164 HG13 VAL 24 HG13 VAL 24 -5.968 4.265 2.232
165 HG21 VAL 24 HG21 VAL 24 -7.072 0.915 0.979
166 HG22 VAL 24 HG22 VAL 24 -7.315 0.868 2.724
167 HG23 VAL 24 HG23 VAL 24 -5.947 0.021 2.000
168 H CYS 25 H CYS 25 -3.615 3.735 -0.726
169 HA CYS 25 HA CYS 25 -2.057 5.252 1.213
170 HB2 CYS 25 HB2 CYS 25 -1.039 6.280 -0.861
171 HB3 CYS 25 HB3 CYS 25 -0.753 4.557 -0.655
172 H GLY 26 H GLY 26 -3.866 6.288 2.149
173 HA2 GLY 26 HA2 GLY 26 -5.899 7.622 0.792
174 HA3 GLY 26 HA3 GLY 26 -5.388 7.987 2.431
175 H SER 27 H SER 27 -2.845 8.936 2.026
176 HA SER 27 HA SER 27 -2.919 10.983 -0.013
177 HB2 SER 27 HB2 SER 27 -2.867 11.730 2.924
178 HB3 SER 27 HB3 SER 27 -2.662 12.846 1.577
179 HG SER 27 HG SER 27 -4.889 11.547 1.101
Start of MODEL 9
1 H1 LEU 1 H1 LEU 1 3.593 1.763 5.608
2 H2 LEU 1 H2 LEU 1 2.599 0.438 5.942
3 H3 LEU 1 H3 LEU 1 2.139 1.565 4.767
4 HA LEU 1 HA LEU 1 3.942 0.936 3.352
5 HB2 LEU 1 HB2 LEU 1 4.605 -0.979 5.598
6 HB3 LEU 1 HB3 LEU 1 5.308 -1.064 3.997
7 HG LEU 1 HG LEU 1 5.631 1.275 5.884
8 HD11 LEU 1 HD11 LEU 1 6.733 -0.727 6.741
9 HD12 LEU 1 HD12 LEU 1 7.912 0.461 6.185
10 HD13 LEU 1 HD13 LEU 1 7.544 -0.950 5.192
11 HD21 LEU 1 HD21 LEU 1 5.816 1.937 3.564
12 HD22 LEU 1 HD22 LEU 1 6.926 0.606 3.243
13 HD23 LEU 1 HD23 LEU 1 7.414 1.926 4.308
14 H CYS 2 H CYS 2 3.582 -0.649 1.796
15 HA CYS 2 HA CYS 2 1.419 -2.547 2.431
16 HB2 CYS 2 HB2 CYS 2 2.130 -1.426 -0.284
17 HB3 CYS 2 HB3 CYS 2 0.748 -2.436 0.109
18 H LEU 3 H LEU 3 3.058 -4.013 3.193
19 HA LEU 3 HA LEU 3 4.819 -5.100 1.124
20 HB2 LEU 3 HB2 LEU 3 4.720 -5.715 4.077
21 HB3 LEU 3 HB3 LEU 3 5.937 -6.279 2.948
22 HG LEU 3 HG LEU 3 5.478 -3.397 3.730
23 HD11 LEU 3 HD11 LEU 3 7.600 -3.587 4.906
24 HD12 LEU 3 HD12 LEU 3 7.697 -5.294 4.477
25 HD13 LEU 3 HD13 LEU 3 6.417 -4.724 5.549
26 HD21 LEU 3 HD21 LEU 3 7.607 -3.000 2.542
27 HD22 LEU 3 HD22 LEU 3 6.315 -3.538 1.470
28 HD23 LEU 3 HD23 LEU 3 7.574 -4.669 1.972
29 H SER 4 H SER 4 2.179 -6.000 3.260
30 HA SER 4 HA SER 4 2.118 -8.660 2.017
31 HB2 SER 4 HB2 SER 4 0.768 -7.720 4.555
32 HB3 SER 4 HB3 SER 4 0.841 -9.377 3.957
33 HG SER 4 HG SER 4 2.507 -8.338 5.592
34 H CYS 5 H CYS 5 1.167 -6.468 0.561
35 HA CYS 5 HA CYS 5 -1.447 -7.353 -0.109
36 HB2 CYS 5 HB2 CYS 5 -2.502 -5.058 0.281
37 HB3 CYS 5 HB3 CYS 5 -2.249 -6.063 1.704
38 H ARG 6 H ARG 6 -2.420 -5.703 -1.778
39 HA ARG 6 HA ARG 6 -0.311 -4.426 -3.338
40 HB2 ARG 6 HB2 ARG 6 -0.739 -5.635 -5.323
41 HB3 ARG 6 HB3 ARG 6 -0.604 -6.847 -4.064
42 HG2 ARG 6 HG2 ARG 6 -3.192 -5.799 -5.186
43 HG3 ARG 6 HG3 ARG 6 -2.414 -7.307 -5.654
44 HD2 ARG 6 HD2 ARG 6 -3.523 -6.590 -2.947
45 HD3 ARG 6 HD3 ARG 6 -4.172 -7.773 -4.080
46 HE ARG 6 HE ARG 6 -1.526 -8.482 -3.463
47 HH11 ARG 6 HH11 ARG 6 -4.691 -8.325 -1.972
48 HH12 ARG 6 HH12 ARG 6 -4.350 -9.576 -0.821
49 HH21 ARG 6 HH21 ARG 6 -1.071 -10.112 -1.928
50 HH22 ARG 6 HH22 ARG 6 -2.296 -10.594 -0.795
51 H GLY 7 H GLY 7 -1.370 -3.359 -5.349
52 HA2 GLY 7 HA2 GLY 7 -3.790 -2.779 -6.049
53 HA3 GLY 7 HA3 GLY 7 -3.848 -2.061 -4.446
54 H GLY 8 H GLY 8 -1.551 -0.750 -4.163
55 HA2 GLY 8 HA2 GLY 8 -1.836 1.342 -6.200
56 HA3 GLY 8 HA3 GLY 8 -1.177 1.560 -4.586
57 H ASP 9 H ASP 9 0.284 2.704 -6.356
58 HA ASP 9 HA ASP 9 2.281 0.922 -7.463
59 HB2 ASP 9 HB2 ASP 9 2.049 3.932 -7.481
60 HB3 ASP 9 HB3 ASP 9 3.336 3.035 -8.270
61 H TYR 10 H TYR 10 4.619 2.186 -7.174
62 HA TYR 10 HA TYR 10 5.621 1.279 -4.784
63 HB2 TYR 10 HB2 TYR 10 7.058 1.814 -6.671
64 HB3 TYR 10 HB3 TYR 10 6.677 3.524 -6.506
65 HD1 TYR 10 HD1 TYR 10 8.467 0.693 -4.987
66 HD2 TYR 10 HD2 TYR 10 7.770 4.883 -4.863
67 HE1 TYR 10 HE1 TYR 10 10.376 0.960 -3.461
68 HE2 TYR 10 HE2 TYR 10 9.675 5.164 -3.338
69 HH TYR 10 HH TYR 10 10.962 3.827 -1.732
70 H ASP 11 H ASP 11 4.827 4.652 -5.590
71 HA ASP 11 HA ASP 11 5.518 5.798 -3.157
72 HB2 ASP 11 HB2 ASP 11 4.097 7.680 -3.805
73 HB3 ASP 11 HB3 ASP 11 5.012 7.101 -5.190
74 H CYS 12 H CYS 12 2.580 4.158 -4.125
75 HA CYS 12 HA CYS 12 1.118 4.832 -1.768
76 HB2 CYS 12 HB2 CYS 12 0.713 2.768 -3.922
77 HB3 CYS 12 HB3 CYS 12 -0.364 2.900 -2.537
78 H ARG 13 H ARG 13 3.283 2.248 -2.706
79 HA ARG 13 HA ARG 13 2.494 0.524 -0.549
80 HB2 ARG 13 HB2 ARG 13 4.961 0.378 -2.294
81 HB3 ARG 13 HB3 ARG 13 4.354 -0.902 -1.255
82 HG2 ARG 13 HG2 ARG 13 2.258 -0.892 -2.626
83 HG3 ARG 13 HG3 ARG 13 3.078 0.209 -3.738
84 HD2 ARG 13 HD2 ARG 13 3.268 -2.042 -4.572
85 HD3 ARG 13 HD3 ARG 13 4.854 -1.493 -4.039
86 HE ARG 13 HE ARG 13 4.394 -2.796 -1.955
87 HH11 ARG 13 HH11 ARG 13 2.899 -3.652 -5.001
88 HH12 ARG 13 HH12 ARG 13 2.629 -5.301 -4.555
89 HH21 ARG 13 HH21 ARG 13 4.059 -4.976 -1.367
90 HH22 ARG 13 HH22 ARG 13 3.286 -6.058 -2.482
91 H VAL 14 H VAL 14 4.416 3.256 -0.795
92 HA VAL 14 HA VAL 14 6.132 2.508 1.431
93 HB VAL 14 HB VAL 14 6.103 5.018 -0.249
94 HG11 VAL 14 HG11 VAL 14 6.961 5.504 1.957
95 HG12 VAL 14 HG12 VAL 14 8.297 5.465 0.806
96 HG13 VAL 14 HG13 VAL 14 8.025 4.101 1.888
97 HG21 VAL 14 HG21 VAL 14 6.793 3.047 -1.501
98 HG22 VAL 14 HG22 VAL 14 7.979 2.655 -0.256
99 HG23 VAL 14 HG23 VAL 14 8.164 4.119 -1.221
100 H LYS 15 H LYS 15 3.892 5.191 0.610
101 HA LYS 15 HA LYS 15 3.809 5.773 3.482
102 HB2 LYS 15 HB2 LYS 15 3.109 7.998 2.946
103 HB3 LYS 15 HB3 LYS 15 4.511 7.600 1.971
104 HG2 LYS 15 HG2 LYS 15 3.129 7.268 0.028
105 HG3 LYS 15 HG3 LYS 15 1.669 7.520 0.989
106 HD2 LYS 15 HD2 LYS 15 2.473 9.802 1.533
107 HD3 LYS 15 HD3 LYS 15 3.853 9.540 0.469
108 HE2 LYS 15 HE2 LYS 15 2.112 10.829 -0.650
109 HE3 LYS 15 HE3 LYS 15 2.344 9.270 -1.436
110 HZ1 LYS 15 HZ1 LYS 15 0.214 9.767 0.576
111 HZ2 LYS 15 HZ2 LYS 15 0.370 8.444 -0.477
112 HZ3 LYS 15 HZ3 LYS 15 -0.013 9.967 -1.090
113 H GLY 16 H GLY 16 2.142 3.874 1.589
114 HA2 GLY 16 HA2 GLY 16 -0.517 4.760 2.414
115 HA3 GLY 16 HA3 GLY 16 -0.162 3.451 1.293
116 H THR 17 H THR 17 -1.997 2.949 3.130
117 HA THR 17 HA THR 17 -0.654 1.490 5.288
118 HB THR 17 HB THR 17 -3.074 1.406 6.202
119 HG1 THR 17 HG1 THR 17 -4.495 2.393 4.985
120 HG21 THR 17 HG21 THR 17 -1.298 2.703 7.246
121 HG22 THR 17 HG22 THR 17 -2.808 3.613 7.261
122 HG23 THR 17 HG23 THR 17 -1.550 4.012 6.089
123 H CYS 18 H CYS 18 -0.816 -0.666 5.406
124 HA CYS 18 HA CYS 18 -2.077 -2.071 3.206
125 HB2 CYS 18 HB2 CYS 18 0.220 -2.608 4.176
126 HB3 CYS 18 HB3 CYS 18 -0.624 -3.263 5.572
127 H GLU 19 H GLU 19 -4.261 -2.109 3.442
128 HA GLU 19 HA GLU 19 -5.325 -3.155 5.977
129 HB2 GLU 19 HB2 GLU 19 -6.410 -0.819 4.403
130 HB3 GLU 19 HB3 GLU 19 -7.196 -1.542 5.797
131 HG2 GLU 19 HG2 GLU 19 -5.381 -0.866 7.227
132 HG3 GLU 19 HG3 GLU 19 -4.470 -0.267 5.845
133 H ASN 20 H ASN 20 -6.596 -4.812 5.732
134 HA ASN 20 HA ASN 20 -8.018 -6.362 4.897
135 HB2 ASN 20 HB2 ASN 20 -9.388 -4.180 4.638
136 HB3 ASN 20 HB3 ASN 20 -9.031 -4.334 2.925
137 HD21 ASN 20 HD21 ASN 20 -10.720 -5.671 5.629
138 HD22 ASN 20 HD22 ASN 20 -11.754 -6.726 4.728
139 H GLY 21 H GLY 21 -5.392 -6.075 3.757
140 HA2 GLY 21 HA2 GLY 21 -4.208 -7.254 2.165
141 HA3 GLY 21 HA3 GLY 21 -5.739 -7.806 1.498
142 H LYS 22 H LYS 22 -5.718 -4.468 1.811
143 HA LYS 22 HA LYS 22 -4.935 -4.170 -1.011
144 HB2 LYS 22 HB2 LYS 22 -7.402 -4.014 -0.604
145 HB3 LYS 22 HB3 LYS 22 -7.097 -2.649 0.456
146 HG2 LYS 22 HG2 LYS 22 -6.159 -1.398 -1.431
147 HG3 LYS 22 HG3 LYS 22 -6.515 -2.759 -2.496
148 HD2 LYS 22 HD2 LYS 22 -8.903 -2.540 -1.930
149 HD3 LYS 22 HD3 LYS 22 -8.522 -1.142 -0.924
150 HE2 LYS 22 HE2 LYS 22 -9.313 -0.349 -3.043
151 HE3 LYS 22 HE3 LYS 22 -7.582 -0.027 -2.945
152 HZ1 LYS 22 HZ1 LYS 22 -8.085 -0.891 -5.091
153 HZ2 LYS 22 HZ2 LYS 22 -8.904 -2.218 -4.442
154 HZ3 LYS 22 HZ3 LYS 22 -7.231 -2.084 -4.249
155 H CYS 23 H CYS 23 -3.551 -2.578 -1.477
156 HA CYS 23 HA CYS 23 -2.322 -1.088 0.640
157 HB2 CYS 23 HB2 CYS 23 -1.080 -1.932 -1.347
158 HB3 CYS 23 HB3 CYS 23 -1.975 -0.800 -2.350
159 H VAL 24 H VAL 24 -3.399 0.530 1.531
160 HA VAL 24 HA VAL 24 -5.194 2.154 -0.124
161 HB VAL 24 HB VAL 24 -4.981 1.998 2.887
162 HG11 VAL 24 HG11 VAL 24 -7.124 3.191 2.886
163 HG12 VAL 24 HG12 VAL 24 -7.052 3.315 1.128
164 HG13 VAL 24 HG13 VAL 24 -5.850 4.142 2.120
165 HG21 VAL 24 HG21 VAL 24 -7.070 0.724 2.786
166 HG22 VAL 24 HG22 VAL 24 -5.766 -0.105 1.938
167 HG23 VAL 24 HG23 VAL 24 -7.004 0.755 1.025
168 H CYS 25 H CYS 25 -4.065 3.780 -1.016
169 HA CYS 25 HA CYS 25 -2.348 5.356 0.769
170 HB2 CYS 25 HB2 CYS 25 -1.222 6.158 -1.303
171 HB3 CYS 25 HB3 CYS 25 -1.038 4.432 -1.007
172 H GLY 26 H GLY 26 -4.288 6.400 1.519
173 HA2 GLY 26 HA2 GLY 26 -5.476 8.277 -0.403
174 HA3 GLY 26 HA3 GLY 26 -6.153 7.854 1.162
175 H SER 27 H SER 27 -3.330 8.121 2.271
176 HA SER 27 HA SER 27 -3.552 10.972 2.823
177 HB2 SER 27 HB2 SER 27 -1.775 8.879 4.098
178 HB3 SER 27 HB3 SER 27 -2.023 10.525 4.679
179 HG SER 27 HG SER 27 -3.505 8.325 5.125
Start of MODEL 10
1 H1 LEU 1 H1 LEU 1 4.087 -0.704 6.517
2 H2 LEU 1 H2 LEU 1 5.377 0.377 6.364
3 H3 LEU 1 H3 LEU 1 5.588 -1.254 5.974
4 HA LEU 1 HA LEU 1 3.764 0.602 4.586
5 HB2 LEU 1 HB2 LEU 1 5.320 0.804 2.832
6 HB3 LEU 1 HB3 LEU 1 6.215 1.092 4.299
7 HG LEU 1 HG LEU 1 7.689 -0.123 3.001
8 HD11 LEU 1 HD11 LEU 1 6.316 -2.236 4.635
9 HD12 LEU 1 HD12 LEU 1 7.570 -1.126 5.191
10 HD13 LEU 1 HD13 LEU 1 7.944 -2.337 3.964
11 HD21 LEU 1 HD21 LEU 1 5.455 -1.962 2.179
12 HD22 LEU 1 HD22 LEU 1 7.136 -2.081 1.665
13 HD23 LEU 1 HD23 LEU 1 6.169 -0.681 1.200
14 H CYS 2 H CYS 2 3.154 -0.369 2.410
15 HA CYS 2 HA CYS 2 1.737 -2.731 3.082
16 HB2 CYS 2 HB2 CYS 2 1.980 -1.337 0.417
17 HB3 CYS 2 HB3 CYS 2 0.759 -2.523 0.852
18 H LEU 3 H LEU 3 3.253 -4.351 3.440
19 HA LEU 3 HA LEU 3 4.601 -5.384 1.047
20 HB2 LEU 3 HB2 LEU 3 4.830 -6.171 3.948
21 HB3 LEU 3 HB3 LEU 3 5.677 -6.975 2.641
22 HG LEU 3 HG LEU 3 6.037 -4.089 3.444
23 HD11 LEU 3 HD11 LEU 3 7.814 -6.485 3.871
24 HD12 LEU 3 HD12 LEU 3 6.918 -5.619 5.119
25 HD13 LEU 3 HD13 LEU 3 8.227 -4.814 4.252
26 HD21 LEU 3 HD21 LEU 3 8.001 -4.207 1.931
27 HD22 LEU 3 HD22 LEU 3 6.458 -4.351 1.092
28 HD23 LEU 3 HD23 LEU 3 7.442 -5.788 1.385
29 H SER 4 H SER 4 2.189 -6.176 3.467
30 HA SER 4 HA SER 4 1.579 -8.723 2.220
31 HB2 SER 4 HB2 SER 4 1.526 -8.529 4.672
32 HB3 SER 4 HB3 SER 4 0.288 -7.284 4.552
33 HG SER 4 HG SER 4 -0.659 -9.283 3.192
34 H CYS 5 H CYS 5 0.926 -5.647 1.440
35 HA CYS 5 HA CYS 5 -1.772 -6.271 0.478
36 HB2 CYS 5 HB2 CYS 5 -0.770 -3.654 1.597
37 HB3 CYS 5 HB3 CYS 5 -2.301 -3.841 0.747
38 H ARG 6 H ARG 6 -2.329 -5.584 -1.511
39 HA ARG 6 HA ARG 6 -0.161 -4.501 -3.178
40 HB2 ARG 6 HB2 ARG 6 -1.285 -5.632 -5.074
41 HB3 ARG 6 HB3 ARG 6 -0.759 -6.762 -3.832
42 HG2 ARG 6 HG2 ARG 6 -3.029 -6.894 -2.970
43 HG3 ARG 6 HG3 ARG 6 -3.565 -5.738 -4.191
44 HD2 ARG 6 HD2 ARG 6 -4.066 -8.070 -4.805
45 HD3 ARG 6 HD3 ARG 6 -2.990 -7.281 -5.957
46 HE ARG 6 HE ARG 6 -1.276 -8.529 -4.269
47 HH11 ARG 6 HH11 ARG 6 -4.093 -9.636 -6.021
48 HH12 ARG 6 HH12 ARG 6 -3.469 -11.234 -6.272
49 HH21 ARG 6 HH21 ARG 6 -0.436 -10.627 -4.613
50 HH22 ARG 6 HH22 ARG 6 -1.383 -11.795 -5.481
51 H GLY 7 H GLY 7 -1.159 -3.404 -5.212
52 HA2 GLY 7 HA2 GLY 7 -3.091 -2.139 -6.016
53 HA3 GLY 7 HA3 GLY 7 -3.432 -1.745 -4.336
54 H GLY 8 H GLY 8 -2.459 -0.381 -7.041
55 HA2 GLY 8 HA2 GLY 8 -1.599 1.751 -7.354
56 HA3 GLY 8 HA3 GLY 8 -1.171 1.792 -5.654
57 H ASP 9 H ASP 9 0.643 2.882 -7.090
58 HA ASP 9 HA ASP 9 2.615 0.984 -8.035
59 HB2 ASP 9 HB2 ASP 9 2.718 3.992 -7.756
60 HB3 ASP 9 HB3 ASP 9 4.011 3.013 -8.429
61 H TYR 10 H TYR 10 4.983 1.774 -7.235
62 HA TYR 10 HA TYR 10 5.268 0.693 -4.689
63 HB2 TYR 10 HB2 TYR 10 7.087 0.776 -6.331
64 HB3 TYR 10 HB3 TYR 10 7.156 2.526 -6.172
65 HD1 TYR 10 HD1 TYR 10 7.545 -0.614 -4.244
66 HD2 TYR 10 HD2 TYR 10 8.544 3.504 -4.568
67 HE1 TYR 10 HE1 TYR 10 9.169 -0.873 -2.423
68 HE2 TYR 10 HE2 TYR 10 10.179 3.259 -2.746
69 HH TYR 10 HH TYR 10 11.148 0.183 -1.561
70 H ASP 11 H ASP 11 5.392 4.078 -5.717
71 HA ASP 11 HA ASP 11 5.921 5.258 -3.255
72 HB2 ASP 11 HB2 ASP 11 6.026 6.437 -5.420
73 HB3 ASP 11 HB3 ASP 11 4.270 6.384 -5.526
74 H CYS 12 H CYS 12 2.945 3.991 -4.526
75 HA CYS 12 HA CYS 12 1.265 5.158 -2.510
76 HB2 CYS 12 HB2 CYS 12 0.164 4.601 -4.535
77 HB3 CYS 12 HB3 CYS 12 0.879 2.996 -4.575
78 H ARG 13 H ARG 13 2.996 2.147 -2.983
79 HA ARG 13 HA ARG 13 1.695 0.788 -0.815
80 HB2 ARG 13 HB2 ARG 13 4.193 0.026 -2.341
81 HB3 ARG 13 HB3 ARG 13 3.233 -1.040 -1.321
82 HG2 ARG 13 HG2 ARG 13 1.325 -0.752 -2.822
83 HG3 ARG 13 HG3 ARG 13 2.300 0.302 -3.848
84 HD2 ARG 13 HD2 ARG 13 3.870 -1.610 -4.184
85 HD3 ARG 13 HD3 ARG 13 2.727 -2.635 -3.309
86 HE ARG 13 HE ARG 13 1.674 -1.160 -5.583
87 HH11 ARG 13 HH11 ARG 13 2.926 -4.208 -4.378
88 HH12 ARG 13 HH12 ARG 13 2.224 -5.132 -5.666
89 HH21 ARG 13 HH21 ARG 13 0.756 -2.376 -7.255
90 HH22 ARG 13 HH22 ARG 13 0.995 -4.096 -7.302
91 H VAL 14 H VAL 14 4.218 3.007 -1.037
92 HA VAL 14 HA VAL 14 5.571 2.113 1.355
93 HB VAL 14 HB VAL 14 5.943 4.631 -0.271
94 HG11 VAL 14 HG11 VAL 14 8.072 4.844 0.939
95 HG12 VAL 14 HG12 VAL 14 7.627 3.465 1.943
96 HG13 VAL 14 HG13 VAL 14 6.683 4.953 2.021
97 HG21 VAL 14 HG21 VAL 14 7.510 2.060 -0.208
98 HG22 VAL 14 HG22 VAL 14 7.972 3.515 -1.091
99 HG23 VAL 14 HG23 VAL 14 6.504 2.643 -1.532
100 H LYS 15 H LYS 15 3.422 4.749 0.372
101 HA LYS 15 HA LYS 15 3.454 5.822 3.077
102 HB2 LYS 15 HB2 LYS 15 2.325 7.737 2.212
103 HB3 LYS 15 HB3 LYS 15 3.585 7.315 1.063
104 HG2 LYS 15 HG2 LYS 15 2.044 6.454 -0.484
105 HG3 LYS 15 HG3 LYS 15 0.747 6.422 0.709
106 HD2 LYS 15 HD2 LYS 15 0.353 8.280 -0.739
107 HD3 LYS 15 HD3 LYS 15 0.892 8.920 0.814
108 HE2 LYS 15 HE2 LYS 15 1.985 10.116 -0.977
109 HE3 LYS 15 HE3 LYS 15 3.173 9.145 -0.110
110 HZ1 LYS 15 HZ1 LYS 15 3.040 7.479 -1.851
111 HZ2 LYS 15 HZ2 LYS 15 3.457 8.980 -2.510
112 HZ3 LYS 15 HZ3 LYS 15 1.880 8.395 -2.675
113 H GLY 16 H GLY 16 1.599 3.680 1.231
114 HA2 GLY 16 HA2 GLY 16 -0.972 4.383 2.292
115 HA3 GLY 16 HA3 GLY 16 -0.591 2.982 1.301
116 H THR 17 H THR 17 -2.342 2.882 3.423
117 HA THR 17 HA THR 17 -0.893 1.464 5.522
118 HB THR 17 HB THR 17 -3.234 1.303 6.540
119 HG1 THR 17 HG1 THR 17 -4.821 2.054 5.364
120 HG21 THR 17 HG21 THR 17 -2.046 4.046 6.094
121 HG22 THR 17 HG22 THR 17 -1.554 2.897 7.337
122 HG23 THR 17 HG23 THR 17 -3.168 3.604 7.382
123 H CYS 18 H CYS 18 -0.857 -0.701 5.622
124 HA CYS 18 HA CYS 18 -2.023 -2.218 3.477
125 HB2 CYS 18 HB2 CYS 18 0.217 -2.737 4.422
126 HB3 CYS 18 HB3 CYS 18 -0.550 -3.173 5.942
127 H GLU 19 H GLU 19 -4.209 -2.255 3.613
128 HA GLU 19 HA GLU 19 -5.337 -3.398 6.072
129 HB2 GLU 19 HB2 GLU 19 -6.521 -1.218 4.358
130 HB3 GLU 19 HB3 GLU 19 -7.350 -2.000 5.695
131 HG2 GLU 19 HG2 GLU 19 -5.516 -1.211 7.193
132 HG3 GLU 19 HG3 GLU 19 -4.876 -0.294 5.835
133 H ASN 20 H ASN 20 -5.891 -5.363 5.612
134 HA ASN 20 HA ASN 20 -7.025 -7.130 4.767
135 HB2 ASN 20 HB2 ASN 20 -8.873 -5.341 5.021
136 HB3 ASN 20 HB3 ASN 20 -8.791 -5.213 3.271
137 HD21 ASN 20 HD21 ASN 20 -9.621 -7.219 5.962
138 HD22 ASN 20 HD22 ASN 20 -10.539 -8.388 5.076
139 H GLY 21 H GLY 21 -4.742 -6.274 3.345
140 HA2 GLY 21 HA2 GLY 21 -3.704 -7.226 1.491
141 HA3 GLY 21 HA3 GLY 21 -5.285 -7.665 0.861
142 H LYS 22 H LYS 22 -5.654 -4.534 1.641
143 HA LYS 22 HA LYS 22 -4.793 -3.658 -1.034
144 HB2 LYS 22 HB2 LYS 22 -7.198 -3.606 -0.880
145 HB3 LYS 22 HB3 LYS 22 -7.129 -2.762 0.657
146 HG2 LYS 22 HG2 LYS 22 -7.766 -1.257 -1.147
147 HG3 LYS 22 HG3 LYS 22 -6.219 -0.790 -0.442
148 HD2 LYS 22 HD2 LYS 22 -5.101 -2.028 -2.321
149 HD3 LYS 22 HD3 LYS 22 -6.694 -2.217 -3.055
150 HE2 LYS 22 HE2 LYS 22 -5.429 0.430 -2.347
151 HE3 LYS 22 HE3 LYS 22 -5.407 -0.289 -3.955
152 HZ1 LYS 22 HZ1 LYS 22 -7.685 -0.002 -4.198
153 HZ2 LYS 22 HZ2 LYS 22 -7.193 1.432 -3.433
154 HZ3 LYS 22 HZ3 LYS 22 -7.948 0.208 -2.542
155 H CYS 23 H CYS 23 -3.404 -2.037 -1.173
156 HA CYS 23 HA CYS 23 -2.467 -0.753 1.234
157 HB2 CYS 23 HB2 CYS 23 -1.005 -1.452 -0.738
158 HB3 CYS 23 HB3 CYS 23 -1.677 -0.064 -1.590
159 H VAL 24 H VAL 24 -3.600 0.842 2.071
160 HA VAL 24 HA VAL 24 -5.303 2.466 0.355
161 HB VAL 24 HB VAL 24 -5.058 2.468 3.365
162 HG11 VAL 24 HG11 VAL 24 -7.212 3.633 3.317
163 HG12 VAL 24 HG12 VAL 24 -7.157 3.657 1.555
164 HG13 VAL 24 HG13 VAL 24 -5.959 4.554 2.487
165 HG21 VAL 24 HG21 VAL 24 -5.825 0.305 2.537
166 HG22 VAL 24 HG22 VAL 24 -7.079 1.103 1.590
167 HG23 VAL 24 HG23 VAL 24 -7.131 1.163 3.351
168 H CYS 25 H CYS 25 -3.877 3.778 -0.704
169 HA CYS 25 HA CYS 25 -2.305 5.646 0.940
170 HB2 CYS 25 HB2 CYS 25 -1.007 6.077 -1.118
171 HB3 CYS 25 HB3 CYS 25 -0.959 4.379 -0.655
172 H GLY 26 H GLY 26 -5.118 5.934 0.595
173 HA2 GLY 26 HA2 GLY 26 -6.570 7.697 0.161
174 HA3 GLY 26 HA3 GLY 26 -5.267 8.519 -0.689
175 H SER 27 H SER 27 -5.913 5.254 -1.495
176 HA SER 27 HA SER 27 -7.425 6.051 -3.873
177 HB2 SER 27 HB2 SER 27 -4.948 5.753 -4.361
178 HB3 SER 27 HB3 SER 27 -5.145 4.057 -3.928
179 HG SER 27 HG SER 27 -6.850 5.214 -5.846