Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
10819 | 1qfd RC | 4404 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 1H CYS 1 4.009 5.325 6.868
2 2H CYS 1 2H CYS 1 2.724 5.683 7.893
3 H CYS 1 H CYS 1 3.112 6.219 5.393
4 HA CYS 1 HA CYS 1 2.873 3.225 6.236
5 1HB CYS 1 1HB CYS 1 0.725 2.792 7.114
6 2HB CYS 1 2HB CYS 1 1.612 3.415 8.503
7 H ILE 2 H ILE 2 0.805 3.365 4.705
8 HA ILE 2 HA ILE 2 1.024 5.945 3.213
9 HB ILE 2 HB ILE 2 0.275 3.096 2.559
10 1HG1 ILE 2 1HG1 ILE 2 2.019 4.571 0.741
11 2HG1 ILE 2 2HG1 ILE 2 2.630 4.588 2.395
12 1HG2 ILE 2 1HG2 ILE 2 -0.383 5.600 1.017
13 2HG2 ILE 2 2HG2 ILE 2 -0.090 4.079 0.176
14 3HG2 ILE 2 3HG2 ILE 2 -1.408 4.201 1.342
15 1HD1 ILE 2 1HD1 ILE 2 1.728 2.073 0.972
16 2HD1 ILE 2 2HD1 ILE 2 3.406 2.613 1.031
17 3HD1 ILE 2 3HD1 ILE 2 2.566 2.180 2.519
18 HA PRO 3 HA PRO 3 -3.082 6.951 4.545
19 1HB PRO 3 1HB PRO 3 -3.666 8.820 2.624
20 2HB PRO 3 2HB PRO 3 -2.600 9.151 4.003
21 1HG PRO 3 1HG PRO 3 -1.897 8.479 1.188
22 2HG PRO 3 2HG PRO 3 -1.150 9.648 2.288
23 1HD PRO 3 1HD PRO 3 -0.076 7.211 1.775
24 2HD PRO 3 2HD PRO 3 0.131 8.048 3.330
25 H LYS 4 H LYS 4 -5.094 6.103 4.042
26 HA LYS 4 HA LYS 4 -5.560 4.092 2.196
27 1HB LYS 4 1HB LYS 4 -6.955 5.472 4.116
28 2HB LYS 4 2HB LYS 4 -7.834 5.917 2.652
29 1HG LYS 4 1HG LYS 4 -7.746 3.382 2.104
30 2HG LYS 4 2HG LYS 4 -7.377 3.186 3.817
31 1HD LYS 4 1HD LYS 4 -9.425 4.493 4.374
32 2HD LYS 4 2HD LYS 4 -9.813 4.569 2.656
33 1HE LYS 4 1HE LYS 4 -9.275 1.828 3.315
34 2HE LYS 4 2HE LYS 4 -10.444 2.470 4.485
35 1HZ LYS 4 1HZ LYS 4 -11.293 3.592 2.223
36 2HZ LYS 4 2HZ LYS 4 -10.711 2.134 1.622
37 H TRP 5 H TRP 5 -6.584 3.991 0.136
38 HA TRP 5 HA TRP 5 -7.071 4.620 -2.065
39 1HB TRP 5 1HB TRP 5 -7.691 7.029 -0.405
40 2HB TRP 5 2HB TRP 5 -7.758 7.169 -2.163
41 HD1 TRP 5 HD1 TRP 5 -9.245 5.092 0.709
42 HE1 TRP 5 HE1 TRP 5 -11.501 4.117 -0.072
43 HE3 TRP 5 HE3 TRP 5 -9.192 6.581 -4.159
44 HZ2 TRP 5 HZ2 TRP 5 -13.074 3.983 -2.462
45 HZ3 TRP 5 HZ3 TRP 5 -11.075 6.020 -5.673
46 HH2 TRP 5 HH2 TRP 5 -13.013 4.722 -4.831
47 H ASN 6 H ASN 6 -4.222 4.900 -0.991
48 HA ASN 6 HA ASN 6 -3.228 6.747 -3.144
49 1HB ASN 6 1HB ASN 6 -2.427 6.378 -0.268
50 2HB ASN 6 2HB ASN 6 -1.232 6.928 -1.435
51 1HD2 ASN 6 2HD2 ASN 6 -4.255 7.821 0.195
52 2HD2 ASN 6 1HD2 ASN 6 -4.232 9.449 -0.283
53 H ARG 7 H ARG 7 -0.877 6.128 -3.741
54 HA ARG 7 HA ARG 7 -0.784 3.346 -4.510
55 1HB ARG 7 1HB ARG 7 1.344 3.986 -5.498
56 2HB ARG 7 2HB ARG 7 0.209 5.313 -5.724
57 1HG ARG 7 1HG ARG 7 1.174 6.334 -3.592
58 2HG ARG 7 2HG ARG 7 2.450 5.120 -3.697
59 1HD ARG 7 1HD ARG 7 2.391 6.134 -6.274
60 2HD ARG 7 2HD ARG 7 2.087 7.572 -5.280
61 1HH1 ARG 7 1HH2 ARG 7 4.738 7.812 -6.812
62 2HH1 ARG 7 2HH2 ARG 7 5.484 9.094 -5.918
63 1HH2 ARG 7 1HH1 ARG 7 4.593 7.809 -2.816
64 2HH2 ARG 7 2HH1 ARG 7 5.402 9.092 -3.652
65 H CYS 8 H CYS 8 0.240 1.617 -3.526
66 HA CYS 8 HA CYS 8 1.870 2.175 -1.070
67 1HB CYS 8 1HB CYS 8 0.726 0.181 -0.080
68 2HB CYS 8 2HB CYS 8 -0.393 1.490 -0.454
69 H GLY 9 H GLY 9 3.658 0.821 -0.778
70 1HA GLY 9 1HA GLY 9 4.038 -1.568 -2.438
71 2HA GLY 9 2HA GLY 9 5.113 -0.228 -2.841
72 HA PRO 10 HA PRO 10 6.109 -1.567 1.686
73 1HB PRO 10 1HB PRO 10 5.241 -4.063 2.405
74 2HB PRO 10 2HB PRO 10 4.296 -2.587 2.684
75 1HG PRO 10 1HG PRO 10 4.017 -4.635 0.547
76 2HG PRO 10 2HG PRO 10 2.765 -3.751 1.432
77 1HD PRO 10 1HD PRO 10 3.552 -3.123 -1.105
78 2HD PRO 10 2HD PRO 10 2.874 -1.943 0.037
79 H LYS 11 H LYS 11 6.011 -3.929 -0.945
80 HA LYS 11 HA LYS 11 8.356 -5.423 -0.044
81 1HB LYS 11 1HB LYS 11 6.409 -6.226 -1.478
82 2HB LYS 11 2HB LYS 11 7.091 -5.274 -2.795
83 1HG LYS 11 1HG LYS 11 7.866 -7.572 -2.999
84 2HG LYS 11 2HG LYS 11 9.229 -6.547 -2.551
85 1HD LYS 11 1HD LYS 11 9.402 -7.455 -0.447
86 2HD LYS 11 2HD LYS 11 7.667 -7.744 -0.315
87 1HE LYS 11 1HE LYS 11 8.528 -9.404 -2.430
88 2HE LYS 11 2HE LYS 11 9.744 -9.588 -1.151
89 1HZ LYS 11 1HZ LYS 11 7.034 -9.424 -0.197
90 2HZ LYS 11 2HZ LYS 11 7.332 -10.786 -1.137
91 H MET 12 H MET 12 7.820 -2.517 -1.935
92 HA MET 12 HA MET 12 10.621 -2.581 -2.973
93 1HB MET 12 1HB MET 12 8.462 -2.173 -4.358
94 2HB MET 12 2HB MET 12 8.466 -0.569 -3.622
95 1HG MET 12 1HG MET 12 11.119 -1.103 -4.514
96 2HG MET 12 2HG MET 12 10.025 -1.513 -5.835
97 1HE MET 12 1HE MET 12 8.349 -0.417 -6.626
98 2HE MET 12 2HE MET 12 7.730 1.183 -6.224
99 3HE MET 12 3HE MET 12 8.962 1.012 -7.471
100 H ASP 13 H ASP 13 8.484 -0.753 -0.796
101 HA ASP 13 HA ASP 13 10.742 1.148 -0.244
102 1HB ASP 13 1HB ASP 13 7.751 1.382 0.229
103 2HB ASP 13 2HB ASP 13 8.938 2.650 0.527
104 H GLY 14 H GLY 14 8.799 -1.383 1.137
105 1HA GLY 14 1HA GLY 14 9.168 -2.468 3.213
106 2HA GLY 14 2HA GLY 14 10.270 -1.169 3.670
107 H VAL 15 H VAL 15 7.339 0.084 2.466
108 HA VAL 15 HA VAL 15 6.197 0.295 5.233
109 HB VAL 15 HB VAL 15 6.682 2.427 3.127
110 1HG1 VAL 15 1HG1 VAL 15 4.948 2.477 5.610
111 2HG1 VAL 15 2HG1 VAL 15 5.576 3.948 4.866
112 3HG1 VAL 15 3HG1 VAL 15 4.488 2.897 3.960
113 1HG2 VAL 15 1HG2 VAL 15 7.996 1.577 5.584
114 2HG2 VAL 15 2HG2 VAL 15 8.544 2.737 4.374
115 3HG2 VAL 15 3HG2 VAL 15 7.491 3.264 5.687
116 HA PRO 16 HA PRO 16 2.794 -1.144 2.588
117 1HB PRO 16 1HB PRO 16 1.403 -2.329 4.615
118 2HB PRO 16 2HB PRO 16 2.784 -3.115 3.826
119 1HG PRO 16 1HG PRO 16 2.638 -1.725 6.448
120 2HG PRO 16 2HG PRO 16 3.574 -3.150 5.976
121 1HD PRO 16 1HD PRO 16 4.599 -0.606 6.220
122 2HD PRO 16 2HD PRO 16 5.327 -1.900 5.244
123 H CYS 17 H CYS 17 0.243 -0.902 3.128
124 HA CYS 17 HA CYS 17 -0.290 1.883 3.661
125 1HB CYS 17 1HB CYS 17 -1.597 -0.056 2.381
126 2HB CYS 17 2HB CYS 17 -2.379 -0.246 3.951
127 H CYS 18 H CYS 18 -1.729 2.625 5.509
128 HA CYS 18 HA CYS 18 -0.594 2.029 8.037
129 1HB CYS 18 1HB CYS 18 -2.644 3.669 6.923
130 2HB CYS 18 2HB CYS 18 -3.308 2.883 8.357
131 H GLU 19 H GLU 19 -1.569 0.932 9.903
132 HA GLU 19 HA GLU 19 -2.159 -1.763 9.542
133 1HB GLU 19 1HB GLU 19 -1.931 0.088 11.644
134 2HB GLU 19 2HB GLU 19 -3.486 -0.704 11.893
135 1HG GLU 19 1HG GLU 19 -0.861 -2.158 11.438
136 2HG GLU 19 2HG GLU 19 -1.617 -1.915 13.012
137 HA PRO 20 HA PRO 20 -6.875 -0.959 9.926
138 1HB PRO 20 1HB PRO 20 -7.778 1.551 9.290
139 2HB PRO 20 2HB PRO 20 -7.382 1.045 10.945
140 1HG PRO 20 1HG PRO 20 -5.750 2.617 9.007
141 2HG PRO 20 2HG PRO 20 -5.973 2.859 10.747
142 1HD PRO 20 1HD PRO 20 -3.765 1.699 9.718
143 2HD PRO 20 2HD PRO 20 -4.425 1.249 11.305
144 H TYR 21 H TYR 21 -4.707 -0.193 7.469
145 HA TYR 21 HA TYR 21 -6.818 -0.598 5.369
146 1HB TYR 21 1HB TYR 21 -4.310 1.097 5.133
147 2HB TYR 21 2HB TYR 21 -5.632 0.990 3.973
148 HD1 TYR 21 HD1 TYR 21 -8.053 1.222 5.498
149 HD2 TYR 21 HD2 TYR 21 -4.291 3.200 6.118
150 HE1 TYR 21 HE1 TYR 21 -9.217 3.071 6.666
151 HE2 TYR 21 HE2 TYR 21 -5.456 5.050 7.286
152 HH TYR 21 HH TYR 21 -8.653 5.629 7.077
153 H THR 22 H THR 22 -5.714 -1.391 3.256
154 HA THR 22 HA THR 22 -3.313 -3.087 3.820
155 HB THR 22 HB THR 22 -4.565 -4.920 2.564
156 HG1 THR 22 HG1 THR 22 -6.867 -3.442 3.257
157 1HG2 THR 22 1HG2 THR 22 -4.329 -4.603 5.139
158 2HG2 THR 22 2HG2 THR 22 -6.034 -4.155 5.076
159 3HG2 THR 22 3HG2 THR 22 -5.522 -5.754 4.536
160 H CYS 23 H CYS 23 -2.126 -3.666 1.896
161 HA CYS 23 HA CYS 23 -2.560 -1.785 -0.379
162 1HB CYS 23 1HB CYS 23 -0.374 -1.872 0.794
163 2HB CYS 23 2HB CYS 23 -0.235 -3.584 0.393
164 H THR 24 H THR 24 -2.978 -2.556 -2.458
165 HA THR 24 HA THR 24 -3.899 -5.332 -2.706
166 HB THR 24 HB THR 24 -4.430 -4.466 -5.059
167 HG1 THR 24 HG1 THR 24 -3.321 -2.746 -5.513
168 1HG2 THR 24 1HG2 THR 24 -5.518 -3.596 -2.468
169 2HG2 THR 24 2HG2 THR 24 -5.936 -2.530 -3.810
170 3HG2 THR 24 3HG2 THR 24 -6.353 -4.242 -3.880
171 H SER 25 H SER 25 -1.427 -3.323 -4.341
172 HA SER 25 HA SER 25 -0.080 -5.857 -5.221
173 1HB SER 25 1HB SER 25 -1.068 -4.064 -6.846
174 2HB SER 25 2HB SER 25 0.348 -3.116 -6.397
175 HG SER 25 HG SER 25 1.653 -4.686 -7.221
176 H ASP 26 H ASP 26 1.876 -6.261 -4.282
177 HA ASP 26 HA ASP 26 3.095 -4.539 -2.329
178 1HB ASP 26 1HB ASP 26 3.771 -7.049 -3.820
179 2HB ASP 26 2HB ASP 26 5.050 -6.252 -2.906
180 H TYR 27 H TYR 27 3.467 -4.787 -5.817
181 HA TYR 27 HA TYR 27 5.980 -3.231 -5.843
182 1HB TYR 27 1HB TYR 27 4.155 -4.339 -8.001
183 2HB TYR 27 2HB TYR 27 5.705 -3.563 -8.314
184 HD1 TYR 27 HD1 TYR 27 7.823 -4.622 -7.562
185 HD2 TYR 27 HD2 TYR 27 4.025 -6.577 -7.089
186 HE1 TYR 27 HE1 TYR 27 8.981 -6.778 -7.162
187 HE2 TYR 27 HE2 TYR 27 5.184 -8.732 -6.687
188 HH TYR 27 HH TYR 27 7.694 -9.640 -7.461
189 H TYR 28 H TYR 28 2.763 -2.838 -7.367
190 HA TYR 28 HA TYR 28 2.697 0.022 -6.627
191 1HB TYR 28 1HB TYR 28 3.969 -0.716 -8.940
192 2HB TYR 28 2HB TYR 28 2.326 -0.462 -9.525
193 HD1 TYR 28 HD1 TYR 28 1.242 1.713 -8.038
194 HD2 TYR 28 HD2 TYR 28 5.294 1.158 -9.359
195 HE1 TYR 28 HE1 TYR 28 1.599 4.164 -7.973
196 HE2 TYR 28 HE2 TYR 28 5.649 3.611 -9.294
197 HH TYR 28 HH TYR 28 4.214 5.633 -7.732
198 H GLY 29 H GLY 29 0.594 0.306 -5.980
199 1HA GLY 29 1HA GLY 29 -1.626 -0.449 -7.714
200 2HA GLY 29 2HA GLY 29 -1.549 -1.425 -6.246
201 H ASN 30 H ASN 30 -3.248 -0.623 -5.055
202 HA ASN 30 HA ASN 30 -3.046 2.211 -4.154
203 1HB ASN 30 1HB ASN 30 -5.120 0.967 -5.858
204 2HB ASN 30 2HB ASN 30 -5.750 1.900 -4.500
205 1HD2 ASN 30 2HD2 ASN 30 -4.112 2.135 -7.591
206 2HD2 ASN 30 1HD2 ASN 30 -4.018 3.829 -7.630
207 H CYS 31 H CYS 31 -4.725 2.544 -2.301
208 HA CYS 31 HA CYS 31 -4.883 0.030 -0.663
209 1HB CYS 31 1HB CYS 31 -3.186 1.801 -0.027
210 2HB CYS 31 2HB CYS 31 -4.539 2.891 0.283
211 H SER 32 H SER 32 -6.849 -0.383 0.355
212 HA SER 32 HA SER 32 -8.902 1.596 0.833
213 1HB SER 32 1HB SER 32 -10.468 0.830 -0.944
214 2HB SER 32 2HB SER 32 -9.001 1.522 -1.626
215 HG SER 32 HG SER 32 -9.031 -0.331 -2.670
Start of MODEL 2
1 1H CYS 1 1H CYS 1 3.909 4.603 8.310
2 2H CYS 1 2H CYS 1 3.170 5.936 7.599
3 H CYS 1 H CYS 1 2.422 6.386 5.129
4 HA CYS 1 HA CYS 1 2.928 3.354 6.756
5 1HB CYS 1 1HB CYS 1 0.599 2.807 7.332
6 2HB CYS 1 2HB CYS 1 1.605 2.927 8.773
7 H ILE 2 H ILE 2 1.017 3.258 5.068
8 HA ILE 2 HA ILE 2 0.972 5.901 3.689
9 HB ILE 2 HB ILE 2 0.470 3.030 2.856
10 1HG1 ILE 2 1HG1 ILE 2 2.509 4.722 1.534
11 2HG1 ILE 2 2HG1 ILE 2 2.832 4.351 3.228
12 1HG2 ILE 2 1HG2 ILE 2 -0.590 5.367 1.654
13 2HG2 ILE 2 2HG2 ILE 2 0.756 4.854 0.639
14 3HG2 ILE 2 3HG2 ILE 2 -0.564 3.738 0.985
15 1HD1 ILE 2 1HD1 ILE 2 2.150 2.282 1.118
16 2HD1 ILE 2 2HD1 ILE 2 3.785 2.648 1.670
17 3HD1 ILE 2 3HD1 ILE 2 2.608 1.965 2.791
18 HA PRO 3 HA PRO 3 -3.299 6.357 4.771
19 1HB PRO 3 1HB PRO 3 -3.953 8.259 2.906
20 2HB PRO 3 2HB PRO 3 -3.037 8.625 4.381
21 1HG PRO 3 1HG PRO 3 -2.056 8.201 1.601
22 2HG PRO 3 2HG PRO 3 -1.533 9.381 2.813
23 1HD PRO 3 1HD PRO 3 -0.142 7.118 2.274
24 2HD PRO 3 2HD PRO 3 -0.161 7.878 3.881
25 H LYS 4 H LYS 4 -5.335 5.649 3.912
26 HA LYS 4 HA LYS 4 -5.271 3.637 1.898
27 1HB LYS 4 1HB LYS 4 -7.645 3.559 2.257
28 2HB LYS 4 2HB LYS 4 -6.918 3.991 3.803
29 1HG LYS 4 1HG LYS 4 -7.367 6.385 3.327
30 2HG LYS 4 2HG LYS 4 -8.139 5.923 1.811
31 1HD LYS 4 1HD LYS 4 -9.473 4.309 3.543
32 2HD LYS 4 2HD LYS 4 -9.145 5.692 4.587
33 1HE LYS 4 1HE LYS 4 -10.750 6.909 3.551
34 2HE LYS 4 2HE LYS 4 -10.013 6.599 1.967
35 1HZ LYS 4 1HZ LYS 4 -12.305 5.625 2.358
36 2HZ LYS 4 2HZ LYS 4 -11.132 4.572 1.773
37 H TRP 5 H TRP 5 -6.527 3.682 -0.157
38 HA TRP 5 HA TRP 5 -6.907 4.524 -2.301
39 1HB TRP 5 1HB TRP 5 -7.727 6.710 -0.416
40 2HB TRP 5 2HB TRP 5 -7.836 6.965 -2.159
41 HD1 TRP 5 HD1 TRP 5 -9.098 4.620 0.587
42 HE1 TRP 5 HE1 TRP 5 -11.270 3.490 -0.219
43 HE3 TRP 5 HE3 TRP 5 -9.236 6.340 -4.207
44 HZ2 TRP 5 HZ2 TRP 5 -12.852 3.333 -2.600
45 HZ3 TRP 5 HZ3 TRP 5 -11.079 5.681 -5.729
46 HH2 TRP 5 HH2 TRP 5 -12.884 4.178 -4.930
47 H ASN 6 H ASN 6 -4.144 4.819 -1.139
48 HA ASN 6 HA ASN 6 -3.220 7.068 -2.898
49 1HB ASN 6 1HB ASN 6 -2.659 6.355 -0.060
50 2HB ASN 6 2HB ASN 6 -1.291 6.928 -1.009
51 1HD2 ASN 6 2HD2 ASN 6 -4.446 7.866 0.315
52 2HD2 ASN 6 1HD2 ASN 6 -4.276 9.527 0.003
53 H ARG 7 H ARG 7 -0.812 6.733 -3.455
54 HA ARG 7 HA ARG 7 -0.434 4.207 -4.766
55 1HB ARG 7 1HB ARG 7 1.359 6.538 -4.043
56 2HB ARG 7 2HB ARG 7 1.933 5.175 -5.005
57 1HG ARG 7 1HG ARG 7 1.024 6.098 -6.842
58 2HG ARG 7 2HG ARG 7 -0.571 5.996 -6.096
59 1HD ARG 7 1HD ARG 7 -0.613 8.228 -5.663
60 2HD ARG 7 2HD ARG 7 1.043 8.211 -5.026
61 1HH1 ARG 7 1HH1 ARG 7 -1.115 9.130 -8.357
62 2HH1 ARG 7 2HH1 ARG 7 -0.711 10.813 -8.426
63 1HH2 ARG 7 2HH2 ARG 7 2.292 10.433 -6.722
64 2HH2 ARG 7 1HH2 ARG 7 1.223 11.553 -7.498
65 H CYS 8 H CYS 8 0.414 2.306 -3.975
66 HA CYS 8 HA CYS 8 1.773 2.391 -1.296
67 1HB CYS 8 1HB CYS 8 -0.538 1.377 -1.468
68 2HB CYS 8 2HB CYS 8 0.152 0.146 -2.529
69 H GLY 9 H GLY 9 3.458 0.781 -0.972
70 1HA GLY 9 1HA GLY 9 4.421 -0.960 -3.042
71 2HA GLY 9 2HA GLY 9 5.358 0.535 -3.041
72 HA PRO 10 HA PRO 10 6.010 -1.405 1.311
73 1HB PRO 10 1HB PRO 10 5.080 -3.953 1.690
74 2HB PRO 10 2HB PRO 10 4.118 -2.504 2.046
75 1HG PRO 10 1HG PRO 10 4.015 -4.310 -0.318
76 2HG PRO 10 2HG PRO 10 2.694 -3.521 0.559
77 1HD PRO 10 1HD PRO 10 3.664 -2.616 -1.819
78 2HD PRO 10 2HD PRO 10 2.919 -1.561 -0.601
79 H LYS 11 H LYS 11 6.090 -3.524 -1.533
80 HA LYS 11 HA LYS 11 8.395 -5.075 -0.618
81 1HB LYS 11 1HB LYS 11 6.438 -5.580 -2.314
82 2HB LYS 11 2HB LYS 11 7.510 -4.802 -3.477
83 1HG LYS 11 1HG LYS 11 9.190 -6.426 -3.206
84 2HG LYS 11 2HG LYS 11 8.541 -6.972 -1.659
85 1HD LYS 11 1HD LYS 11 6.774 -8.148 -2.671
86 2HD LYS 11 2HD LYS 11 6.915 -7.245 -4.180
87 1HE LYS 11 1HE LYS 11 9.263 -8.307 -4.393
88 2HE LYS 11 2HE LYS 11 8.716 -9.440 -3.141
89 1HZ LYS 11 1HZ LYS 11 6.616 -9.191 -4.890
90 2HZ LYS 11 2HZ LYS 11 7.970 -9.323 -5.878
91 H MET 12 H MET 12 7.971 -1.973 -2.113
92 HA MET 12 HA MET 12 10.783 -1.961 -3.131
93 1HB MET 12 1HB MET 12 8.223 -0.541 -3.729
94 2HB MET 12 2HB MET 12 9.724 0.341 -4.012
95 1HG MET 12 1HG MET 12 10.301 -0.961 -5.784
96 2HG MET 12 2HG MET 12 9.740 -2.440 -5.003
97 1HE MET 12 1HE MET 12 9.187 0.669 -6.629
98 2HE MET 12 2HE MET 12 8.345 0.111 -8.072
99 3HE MET 12 3HE MET 12 7.441 0.907 -6.786
100 H ASP 13 H ASP 13 8.607 -0.384 -0.803
101 HA ASP 13 HA ASP 13 10.866 1.386 0.066
102 1HB ASP 13 1HB ASP 13 7.853 1.526 0.411
103 2HB ASP 13 2HB ASP 13 8.983 2.697 1.092
104 H GLY 14 H GLY 14 8.779 -1.241 1.066
105 1HA GLY 14 1HA GLY 14 9.122 -2.643 2.954
106 2HA GLY 14 2HA GLY 14 10.265 -1.461 3.595
107 H VAL 15 H VAL 15 7.251 -0.158 2.502
108 HA VAL 15 HA VAL 15 6.218 -0.122 5.320
109 HB VAL 15 HB VAL 15 6.592 2.137 3.333
110 1HG1 VAL 15 1HG1 VAL 15 4.586 1.802 5.462
111 2HG1 VAL 15 2HG1 VAL 15 5.547 3.271 5.630
112 3HG1 VAL 15 3HG1 VAL 15 4.640 2.975 4.146
113 1HG2 VAL 15 1HG2 VAL 15 7.516 1.662 6.187
114 2HG2 VAL 15 2HG2 VAL 15 8.529 1.636 4.744
115 3HG2 VAL 15 3HG2 VAL 15 7.795 3.147 5.279
116 HA PRO 16 HA PRO 16 2.687 -1.437 2.846
117 1HB PRO 16 1HB PRO 16 1.303 -2.520 4.935
118 2HB PRO 16 2HB PRO 16 2.646 -3.370 4.143
119 1HG PRO 16 1HG PRO 16 2.583 -1.929 6.732
120 2HG PRO 16 2HG PRO 16 3.499 -3.367 6.260
121 1HD PRO 16 1HD PRO 16 4.526 -0.798 6.432
122 2HD PRO 16 2HD PRO 16 5.256 -2.137 5.521
123 H CYS 17 H CYS 17 0.171 -1.069 3.401
124 HA CYS 17 HA CYS 17 -0.240 1.749 3.855
125 1HB CYS 17 1HB CYS 17 -1.635 -0.292 2.720
126 2HB CYS 17 2HB CYS 17 -2.479 -0.163 4.262
127 H CYS 18 H CYS 18 -1.701 2.584 5.644
128 HA CYS 18 HA CYS 18 -0.646 2.120 8.231
129 1HB CYS 18 1HB CYS 18 -3.355 3.130 7.328
130 2HB CYS 18 2HB CYS 18 -2.724 3.318 8.962
131 H GLU 19 H GLU 19 -1.743 1.125 10.129
132 HA GLU 19 HA GLU 19 -2.329 -1.599 9.833
133 1HB GLU 19 1HB GLU 19 -1.710 -0.251 11.899
134 2HB GLU 19 2HB GLU 19 -3.409 0.201 12.012
135 1HG GLU 19 1HG GLU 19 -3.246 -2.640 11.628
136 2HG GLU 19 2HG GLU 19 -2.174 -2.186 12.954
137 HA PRO 20 HA PRO 20 -7.008 -0.695 9.951
138 1HB PRO 20 1HB PRO 20 -7.874 1.824 9.332
139 2HB PRO 20 2HB PRO 20 -7.506 1.302 10.987
140 1HG PRO 20 1HG PRO 20 -5.892 2.952 9.123
141 2HG PRO 20 2HG PRO 20 -6.061 3.068 10.880
142 1HD PRO 20 1HD PRO 20 -3.911 1.943 9.595
143 2HD PRO 20 2HD PRO 20 -4.393 1.568 11.262
144 H TYR 21 H TYR 21 -4.793 -0.226 7.548
145 HA TYR 21 HA TYR 21 -6.876 -0.518 5.423
146 1HB TYR 21 1HB TYR 21 -4.605 1.497 5.500
147 2HB TYR 21 2HB TYR 21 -5.569 1.162 4.062
148 HD1 TYR 21 HD1 TYR 21 -8.229 1.183 4.527
149 HD2 TYR 21 HD2 TYR 21 -5.275 3.269 6.846
150 HE1 TYR 21 HE1 TYR 21 -9.976 2.734 5.357
151 HE2 TYR 21 HE2 TYR 21 -7.021 4.818 7.676
152 HH TYR 21 HH TYR 21 -9.942 4.362 7.848
153 H THR 22 H THR 22 -5.959 -1.407 3.396
154 HA THR 22 HA THR 22 -3.275 -2.703 3.686
155 HB THR 22 HB THR 22 -4.481 -4.756 2.635
156 HG1 THR 22 HG1 THR 22 -6.627 -4.807 2.802
157 1HG2 THR 22 1HG2 THR 22 -3.869 -4.048 5.230
158 2HG2 THR 22 2HG2 THR 22 -5.569 -4.506 5.347
159 3HG2 THR 22 3HG2 THR 22 -4.389 -5.650 4.706
160 H CYS 23 H CYS 23 -2.309 -3.269 1.626
161 HA CYS 23 HA CYS 23 -3.274 -1.569 -0.619
162 1HB CYS 23 1HB CYS 23 -0.701 -3.089 -0.086
163 2HB CYS 23 2HB CYS 23 -0.973 -2.032 -1.472
164 H THR 24 H THR 24 -3.045 -2.557 -2.865
165 HA THR 24 HA THR 24 -4.389 -5.181 -2.932
166 HB THR 24 HB THR 24 -3.559 -3.215 -5.090
167 HG1 THR 24 HG1 THR 24 -6.022 -3.664 -3.753
168 1HG2 THR 24 1HG2 THR 24 -5.044 -5.808 -5.123
169 2HG2 THR 24 2HG2 THR 24 -5.589 -4.525 -6.202
170 3HG2 THR 24 3HG2 THR 24 -3.938 -5.134 -6.319
171 H SER 25 H SER 25 -1.384 -3.757 -4.247
172 HA SER 25 HA SER 25 -0.318 -6.546 -4.585
173 1HB SER 25 1HB SER 25 -0.920 -4.997 -6.610
174 2HB SER 25 2HB SER 25 0.566 -4.152 -6.185
175 HG SER 25 HG SER 25 0.468 -6.178 -7.690
176 H ASP 26 H ASP 26 2.246 -6.327 -4.816
177 HA ASP 26 HA ASP 26 3.187 -4.895 -2.375
178 1HB ASP 26 1HB ASP 26 3.889 -7.318 -3.942
179 2HB ASP 26 2HB ASP 26 5.246 -6.461 -3.216
180 H TYR 27 H TYR 27 3.767 -5.139 -5.872
181 HA TYR 27 HA TYR 27 6.037 -3.268 -5.808
182 1HB TYR 27 1HB TYR 27 4.612 -5.027 -7.717
183 2HB TYR 27 2HB TYR 27 5.281 -3.558 -8.427
184 HD1 TYR 27 HD1 TYR 27 6.369 -6.026 -5.803
185 HD2 TYR 27 HD2 TYR 27 7.385 -3.841 -9.359
186 HE1 TYR 27 HE1 TYR 27 8.629 -7.043 -5.783
187 HE2 TYR 27 HE2 TYR 27 9.644 -4.857 -9.337
188 HH TYR 27 HH TYR 27 11.125 -6.000 -7.054
189 H TYR 28 H TYR 28 2.983 -3.184 -7.660
190 HA TYR 28 HA TYR 28 2.631 -0.317 -6.896
191 1HB TYR 28 1HB TYR 28 3.256 -1.524 -9.522
192 2HB TYR 28 2HB TYR 28 1.923 -0.370 -9.549
193 HD1 TYR 28 HD1 TYR 28 2.347 1.861 -8.170
194 HD2 TYR 28 HD2 TYR 28 5.437 -0.704 -9.696
195 HE1 TYR 28 HE1 TYR 28 3.961 3.738 -8.054
196 HE2 TYR 28 HE2 TYR 28 7.052 1.175 -9.581
197 HH TYR 28 HH TYR 28 6.953 3.583 -7.894
198 H GLY 29 H GLY 29 0.684 -0.463 -5.832
199 1HA GLY 29 1HA GLY 29 -1.624 -1.566 -7.347
200 2HA GLY 29 2HA GLY 29 -1.350 -2.148 -5.705
201 H ASN 30 H ASN 30 -3.243 -1.219 -4.828
202 HA ASN 30 HA ASN 30 -3.051 1.688 -4.298
203 1HB ASN 30 1HB ASN 30 -5.484 1.930 -5.018
204 2HB ASN 30 2HB ASN 30 -4.338 1.675 -6.332
205 1HD2 ASN 30 2HD2 ASN 30 -7.058 0.263 -4.608
206 2HD2 ASN 30 1HD2 ASN 30 -7.212 -1.112 -5.590
207 H CYS 31 H CYS 31 -3.754 2.122 -2.246
208 HA CYS 31 HA CYS 31 -4.778 -0.102 -0.595
209 1HB CYS 31 1HB CYS 31 -2.953 1.641 -0.040
210 2HB CYS 31 2HB CYS 31 -4.279 2.779 0.188
211 H SER 32 H SER 32 -6.692 0.413 0.902
212 HA SER 32 HA SER 32 -8.571 2.489 0.019
213 1HB SER 32 1HB SER 32 -10.312 0.744 -0.594
214 2HB SER 32 2HB SER 32 -8.954 0.845 -1.708
215 HG SER 32 HG SER 32 -9.804 -1.253 -0.330
Start of MODEL 3
1 1H CYS 1 1H CYS 1 3.331 5.741 7.313
2 2H CYS 1 2H CYS 1 2.832 4.860 8.656
3 H CYS 1 H CYS 1 2.574 6.145 4.647
4 HA CYS 1 HA CYS 1 2.889 3.095 6.491
5 1HB CYS 1 1HB CYS 1 0.724 2.656 7.313
6 2HB CYS 1 2HB CYS 1 1.563 3.302 8.723
7 H ILE 2 H ILE 2 0.919 3.211 4.874
8 HA ILE 2 HA ILE 2 1.171 5.781 3.382
9 HB ILE 2 HB ILE 2 0.282 2.962 2.714
10 1HG1 ILE 2 1HG1 ILE 2 2.232 3.859 0.927
11 2HG1 ILE 2 2HG1 ILE 2 2.738 4.530 2.478
12 1HG2 ILE 2 1HG2 ILE 2 -1.064 4.845 1.554
13 2HG2 ILE 2 2HG2 ILE 2 0.439 5.215 0.711
14 3HG2 ILE 2 3HG2 ILE 2 -0.311 3.630 0.525
15 1HD1 ILE 2 1HD1 ILE 2 2.024 1.999 3.215
16 2HD1 ILE 2 2HD1 ILE 2 2.636 1.717 1.586
17 3HD1 ILE 2 3HD1 ILE 2 3.668 2.479 2.795
18 HA PRO 3 HA PRO 3 -2.959 6.882 4.527
19 1HB PRO 3 1HB PRO 3 -3.529 8.602 2.471
20 2HB PRO 3 2HB PRO 3 -2.464 9.027 3.826
21 1HG PRO 3 1HG PRO 3 -1.764 8.177 1.063
22 2HG PRO 3 2HG PRO 3 -0.995 9.389 2.099
23 1HD PRO 3 1HD PRO 3 0.013 6.887 1.710
24 2HD PRO 3 2HD PRO 3 0.289 7.837 3.187
25 H LYS 4 H LYS 4 -4.965 5.972 4.093
26 HA LYS 4 HA LYS 4 -5.309 3.912 2.187
27 1HB LYS 4 1HB LYS 4 -7.569 3.911 2.949
28 2HB LYS 4 2HB LYS 4 -6.621 4.492 4.312
29 1HG LYS 4 1HG LYS 4 -7.606 6.588 2.451
30 2HG LYS 4 2HG LYS 4 -8.839 5.756 3.392
31 1HD LYS 4 1HD LYS 4 -8.280 6.929 5.222
32 2HD LYS 4 2HD LYS 4 -6.615 6.362 5.106
33 1HE LYS 4 1HE LYS 4 -6.378 8.705 4.908
34 2HE LYS 4 2HE LYS 4 -6.416 8.184 3.212
35 1HZ LYS 4 1HZ LYS 4 -8.080 9.739 3.214
36 2HZ LYS 4 2HZ LYS 4 -8.974 8.365 3.588
37 H TRP 5 H TRP 5 -6.682 3.860 0.259
38 HA TRP 5 HA TRP 5 -7.387 4.626 -1.842
39 1HB TRP 5 1HB TRP 5 -7.853 6.955 0.000
40 2HB TRP 5 2HB TRP 5 -8.192 7.104 -1.725
41 HD1 TRP 5 HD1 TRP 5 -9.126 4.920 1.293
42 HE1 TRP 5 HE1 TRP 5 -11.453 3.893 0.869
43 HE3 TRP 5 HE3 TRP 5 -9.926 6.541 -3.464
44 HZ2 TRP 5 HZ2 TRP 5 -13.397 3.775 -1.230
45 HZ3 TRP 5 HZ3 TRP 5 -12.019 5.959 -4.664
46 HH2 TRP 5 HH2 TRP 5 -13.751 4.575 -3.551
47 H ASN 6 H ASN 6 -4.496 4.795 -1.102
48 HA ASN 6 HA ASN 6 -3.681 6.782 -3.184
49 1HB ASN 6 1HB ASN 6 -2.842 6.547 -0.311
50 2HB ASN 6 2HB ASN 6 -1.670 7.118 -1.492
51 1HD2 ASN 6 2HD2 ASN 6 -4.443 8.036 0.389
52 2HD2 ASN 6 1HD2 ASN 6 -4.629 9.592 -0.261
53 H ARG 7 H ARG 7 -1.537 6.268 -4.094
54 HA ARG 7 HA ARG 7 -1.122 3.485 -4.637
55 1HB ARG 7 1HB ARG 7 0.307 6.083 -5.075
56 2HB ARG 7 2HB ARG 7 1.191 4.589 -5.385
57 1HG ARG 7 1HG ARG 7 -1.323 4.181 -6.556
58 2HG ARG 7 2HG ARG 7 -0.899 5.842 -6.969
59 1HD ARG 7 1HD ARG 7 0.984 3.488 -7.357
60 2HD ARG 7 2HD ARG 7 -0.042 4.158 -8.640
61 1HH1 ARG 7 1HH2 ARG 7 2.074 5.444 -10.314
62 2HH1 ARG 7 2HH2 ARG 7 1.394 6.986 -10.714
63 1HH2 ARG 7 1HH1 ARG 7 0.260 7.616 -7.486
64 2HH2 ARG 7 2HH1 ARG 7 0.362 8.221 -9.107
65 H CYS 8 H CYS 8 0.313 1.993 -3.709
66 HA CYS 8 HA CYS 8 2.157 2.924 -1.558
67 1HB CYS 8 1HB CYS 8 1.204 1.333 0.016
68 2HB CYS 8 2HB CYS 8 -0.101 2.337 -0.614
69 H GLY 9 H GLY 9 3.861 1.374 -1.105
70 1HA GLY 9 1HA GLY 9 3.989 -1.103 -2.690
71 2HA GLY 9 2HA GLY 9 5.168 0.129 -3.141
72 HA PRO 10 HA PRO 10 6.112 -1.326 1.367
73 1HB PRO 10 1HB PRO 10 5.215 -3.842 1.965
74 2HB PRO 10 2HB PRO 10 4.292 -2.369 2.317
75 1HG PRO 10 1HG PRO 10 3.969 -4.321 0.101
76 2HG PRO 10 2HG PRO 10 2.741 -3.431 1.014
77 1HD PRO 10 1HD PRO 10 3.572 -2.745 -1.504
78 2HD PRO 10 2HD PRO 10 2.881 -1.597 -0.337
79 H LYS 11 H LYS 11 6.050 -3.514 -1.411
80 HA LYS 11 HA LYS 11 8.337 -5.119 -0.558
81 1HB LYS 11 1HB LYS 11 6.394 -5.002 -2.693
82 2HB LYS 11 2HB LYS 11 8.008 -5.177 -3.379
83 1HG LYS 11 1HG LYS 11 6.919 -6.923 -1.151
84 2HG LYS 11 2HG LYS 11 6.896 -7.371 -2.857
85 1HD LYS 11 1HD LYS 11 9.478 -6.766 -2.705
86 2HD LYS 11 2HD LYS 11 9.226 -7.120 -0.996
87 1HE LYS 11 1HE LYS 11 8.541 -9.362 -1.448
88 2HE LYS 11 2HE LYS 11 8.338 -9.028 -3.180
89 1HZ LYS 11 1HZ LYS 11 10.932 -8.397 -2.042
90 2HZ LYS 11 2HZ LYS 11 10.574 -10.035 -2.165
91 H MET 12 H MET 12 7.905 -2.070 -2.244
92 HA MET 12 HA MET 12 10.783 -2.037 -3.054
93 1HB MET 12 1HB MET 12 8.321 -1.259 -4.236
94 2HB MET 12 2HB MET 12 9.224 0.223 -3.930
95 1HG MET 12 1HG MET 12 10.954 -1.866 -4.981
96 2HG MET 12 2HG MET 12 9.606 -1.543 -6.069
97 1HE MET 12 1HE MET 12 10.083 -0.634 -7.770
98 2HE MET 12 2HE MET 12 10.540 1.043 -8.062
99 3HE MET 12 3HE MET 12 11.780 -0.216 -7.993
100 H ASP 13 H ASP 13 8.458 -0.484 -0.892
101 HA ASP 13 HA ASP 13 10.512 1.564 -0.142
102 1HB ASP 13 1HB ASP 13 8.136 2.129 -0.944
103 2HB ASP 13 2HB ASP 13 7.576 1.469 0.592
104 H GLY 14 H GLY 14 8.888 -1.296 0.984
105 1HA GLY 14 1HA GLY 14 9.349 -2.534 2.946
106 2HA GLY 14 2HA GLY 14 10.403 -1.227 3.484
107 H VAL 15 H VAL 15 7.377 0.003 2.516
108 HA VAL 15 HA VAL 15 6.394 -0.074 5.357
109 HB VAL 15 HB VAL 15 6.503 2.196 3.348
110 1HG1 VAL 15 1HG1 VAL 15 4.331 2.167 4.585
111 2HG1 VAL 15 2HG1 VAL 15 5.226 2.169 6.104
112 3HG1 VAL 15 3HG1 VAL 15 5.329 3.554 5.017
113 1HG2 VAL 15 1HG2 VAL 15 7.978 1.424 5.815
114 2HG2 VAL 15 2HG2 VAL 15 8.535 2.334 4.410
115 3HG2 VAL 15 3HG2 VAL 15 7.573 3.133 5.654
116 HA PRO 16 HA PRO 16 2.808 -1.568 3.088
117 1HB PRO 16 1HB PRO 16 1.520 -2.574 5.271
118 2HB PRO 16 2HB PRO 16 2.870 -3.424 4.492
119 1HG PRO 16 1HG PRO 16 2.822 -1.845 7.001
120 2HG PRO 16 2HG PRO 16 3.781 -3.271 6.582
121 1HD PRO 16 1HD PRO 16 4.698 -0.651 6.584
122 2HD PRO 16 2HD PRO 16 5.474 -2.014 5.751
123 H CYS 17 H CYS 17 0.397 -1.039 3.319
124 HA CYS 17 HA CYS 17 -0.081 1.720 3.916
125 1HB CYS 17 1HB CYS 17 -1.387 -0.244 2.592
126 2HB CYS 17 2HB CYS 17 -2.317 -0.245 4.090
127 H CYS 18 H CYS 18 -1.674 2.466 5.668
128 HA CYS 18 HA CYS 18 -0.691 1.848 8.264
129 1HB CYS 18 1HB CYS 18 -2.641 3.530 7.018
130 2HB CYS 18 2HB CYS 18 -3.376 2.792 8.441
131 H GLU 19 H GLU 19 -1.816 0.780 10.065
132 HA GLU 19 HA GLU 19 -2.527 -1.890 9.620
133 1HB GLU 19 1HB GLU 19 -1.852 -0.674 11.753
134 2HB GLU 19 2HB GLU 19 -3.535 -0.168 11.893
135 1HG GLU 19 1HG GLU 19 -4.096 -2.689 11.642
136 2HG GLU 19 2HG GLU 19 -2.395 -2.958 12.027
137 HA PRO 20 HA PRO 20 -7.181 -0.751 9.860
138 1HB PRO 20 1HB PRO 20 -7.880 1.833 9.276
139 2HB PRO 20 2HB PRO 20 -7.573 1.254 10.926
140 1HG PRO 20 1HG PRO 20 -5.789 2.778 9.092
141 2HG PRO 20 2HG PRO 20 -6.029 2.954 10.838
142 1HD PRO 20 1HD PRO 20 -3.892 1.684 9.764
143 2HD PRO 20 2HD PRO 20 -4.578 1.252 11.344
144 H TYR 21 H TYR 21 -4.908 -0.191 7.464
145 HA TYR 21 HA TYR 21 -7.013 -0.371 5.331
146 1HB TYR 21 1HB TYR 21 -4.518 1.367 5.329
147 2HB TYR 21 2HB TYR 21 -5.653 1.211 3.989
148 HD1 TYR 21 HD1 TYR 21 -8.232 1.560 4.743
149 HD2 TYR 21 HD2 TYR 21 -4.793 3.196 6.730
150 HE1 TYR 21 HE1 TYR 21 -9.651 3.331 5.743
151 HE2 TYR 21 HE2 TYR 21 -6.212 4.966 7.728
152 HH TYR 21 HH TYR 21 -8.960 5.923 6.690
153 H THR 22 H THR 22 -5.995 -1.162 3.209
154 HA THR 22 HA THR 22 -3.544 -2.824 3.616
155 HB THR 22 HB THR 22 -4.890 -4.696 2.464
156 HG1 THR 22 HG1 THR 22 -6.798 -4.064 1.878
157 1HG2 THR 22 1HG2 THR 22 -4.419 -4.175 5.077
158 2HG2 THR 22 2HG2 THR 22 -6.182 -4.181 5.083
159 3HG2 THR 22 3HG2 THR 22 -5.297 -5.600 4.521
160 H CYS 23 H CYS 23 -2.515 -3.427 1.613
161 HA CYS 23 HA CYS 23 -3.083 -1.566 -0.631
162 1HB CYS 23 1HB CYS 23 -0.826 -3.348 0.263
163 2HB CYS 23 2HB CYS 23 -0.850 -2.715 -1.383
164 H THR 24 H THR 24 -2.737 -2.568 -2.891
165 HA THR 24 HA THR 24 -4.426 -5.010 -3.121
166 HB THR 24 HB THR 24 -3.473 -3.001 -5.192
167 HG1 THR 24 HG1 THR 24 -5.737 -3.132 -3.520
168 1HG2 THR 24 1HG2 THR 24 -5.648 -5.111 -5.259
169 2HG2 THR 24 2HG2 THR 24 -5.357 -3.918 -6.525
170 3HG2 THR 24 3HG2 THR 24 -4.138 -5.142 -6.171
171 H SER 25 H SER 25 -1.282 -3.699 -4.142
172 HA SER 25 HA SER 25 -0.398 -6.494 -4.792
173 1HB SER 25 1HB SER 25 0.152 -3.862 -6.199
174 2HB SER 25 2HB SER 25 0.978 -5.368 -6.585
175 HG SER 25 HG SER 25 -0.681 -5.645 -7.858
176 H ASP 26 H ASP 26 2.257 -6.167 -5.092
177 HA ASP 26 HA ASP 26 3.149 -5.079 -2.449
178 1HB ASP 26 1HB ASP 26 4.139 -7.199 -4.364
179 2HB ASP 26 2HB ASP 26 5.150 -6.601 -3.050
180 H TYR 27 H TYR 27 4.183 -5.230 -5.886
181 HA TYR 27 HA TYR 27 6.254 -3.188 -5.465
182 1HB TYR 27 1HB TYR 27 5.144 -4.677 -7.861
183 2HB TYR 27 2HB TYR 27 6.462 -3.511 -7.985
184 HD1 TYR 27 HD1 TYR 27 8.528 -3.878 -6.468
185 HD2 TYR 27 HD2 TYR 27 5.589 -6.914 -7.248
186 HE1 TYR 27 HE1 TYR 27 10.141 -5.623 -5.759
187 HE2 TYR 27 HE2 TYR 27 7.202 -8.657 -6.538
188 HH TYR 27 HH TYR 27 10.142 -8.531 -6.485
189 H TYR 28 H TYR 28 3.302 -3.374 -7.488
190 HA TYR 28 HA TYR 28 2.951 -0.419 -7.116
191 1HB TYR 28 1HB TYR 28 3.992 -0.975 -9.308
192 2HB TYR 28 2HB TYR 28 2.625 -2.027 -9.675
193 HD1 TYR 28 HD1 TYR 28 3.702 1.479 -9.182
194 HD2 TYR 28 HD2 TYR 28 0.445 -1.117 -10.243
195 HE1 TYR 28 HE1 TYR 28 2.417 3.428 -10.016
196 HE2 TYR 28 HE2 TYR 28 -0.838 0.833 -11.074
197 HH TYR 28 HH TYR 28 -0.400 3.106 -11.910
198 H GLY 29 H GLY 29 1.120 -0.419 -5.830
199 1HA GLY 29 1HA GLY 29 -1.364 -1.494 -6.990
200 2HA GLY 29 2HA GLY 29 -0.894 -2.198 -5.444
201 H ASN 30 H ASN 30 -3.248 -0.947 -5.340
202 HA ASN 30 HA ASN 30 -2.696 1.791 -4.236
203 1HB ASN 30 1HB ASN 30 -5.224 0.556 -5.380
204 2HB ASN 30 2HB ASN 30 -5.085 2.207 -4.774
205 1HD2 ASN 30 2HD2 ASN 30 -4.727 0.269 -7.580
206 2HD2 ASN 30 1HD2 ASN 30 -3.896 1.398 -8.536
207 H CYS 31 H CYS 31 -4.231 2.391 -2.419
208 HA CYS 31 HA CYS 31 -4.790 0.029 -0.648
209 1HB CYS 31 1HB CYS 31 -2.841 1.619 -0.118
210 2HB CYS 31 2HB CYS 31 -4.063 2.850 0.197
211 H SER 32 H SER 32 -6.564 0.536 0.991
212 HA SER 32 HA SER 32 -8.417 2.730 0.365
213 1HB SER 32 1HB SER 32 -10.258 1.109 -0.240
214 2HB SER 32 2HB SER 32 -8.958 1.184 -1.423
215 HG SER 32 HG SER 32 -8.595 -0.846 -1.044
Start of MODEL 4
1 1H CYS 1 1H CYS 1 3.450 5.634 7.303
2 2H CYS 1 2H CYS 1 2.874 4.748 8.612
3 H CYS 1 H CYS 1 2.398 6.365 4.924
4 HA CYS 1 HA CYS 1 3.008 3.114 6.290
5 1HB CYS 1 1HB CYS 1 0.732 2.645 7.057
6 2HB CYS 1 2HB CYS 1 1.841 2.678 8.425
7 H ILE 2 H ILE 2 1.074 3.256 4.696
8 HA ILE 2 HA ILE 2 0.990 6.035 3.612
9 HB ILE 2 HB ILE 2 0.398 3.292 2.461
10 1HG1 ILE 2 1HG1 ILE 2 2.409 4.710 1.039
11 2HG1 ILE 2 2HG1 ILE 2 2.783 4.891 2.753
12 1HG2 ILE 2 1HG2 ILE 2 -1.048 5.081 1.474
13 2HG2 ILE 2 2HG2 ILE 2 0.410 5.970 1.037
14 3HG2 ILE 2 3HG2 ILE 2 0.085 4.395 0.311
15 1HD1 ILE 2 1HD1 ILE 2 1.978 2.188 2.334
16 2HD1 ILE 2 2HD1 ILE 2 3.165 2.592 1.092
17 3HD1 ILE 2 3HD1 ILE 2 3.570 2.789 2.797
18 HA PRO 3 HA PRO 3 -3.222 6.402 4.894
19 1HB PRO 3 1HB PRO 3 -3.967 8.434 3.211
20 2HB PRO 3 2HB PRO 3 -2.969 8.689 4.657
21 1HG PRO 3 1HG PRO 3 -2.142 8.469 1.803
22 2HG PRO 3 2HG PRO 3 -1.548 9.557 3.068
23 1HD PRO 3 1HD PRO 3 -0.202 7.338 2.290
24 2HD PRO 3 2HD PRO 3 -0.128 7.981 3.945
25 H LYS 4 H LYS 4 -5.351 5.911 4.070
26 HA LYS 4 HA LYS 4 -5.510 3.951 2.018
27 1HB LYS 4 1HB LYS 4 -7.870 4.080 2.433
28 2HB LYS 4 2HB LYS 4 -7.076 4.446 3.961
29 1HG LYS 4 1HG LYS 4 -7.362 6.854 3.566
30 2HG LYS 4 2HG LYS 4 -8.109 6.520 2.004
31 1HD LYS 4 1HD LYS 4 -10.072 5.752 2.944
32 2HD LYS 4 2HD LYS 4 -9.273 5.189 4.412
33 1HE LYS 4 1HE LYS 4 -8.980 7.529 5.165
34 2HE LYS 4 2HE LYS 4 -9.783 8.100 3.689
35 1HZ LYS 4 1HZ LYS 4 -11.755 7.595 4.544
36 2HZ LYS 4 2HZ LYS 4 -11.271 6.026 4.906
37 H TRP 5 H TRP 5 -6.873 4.166 0.003
38 HA TRP 5 HA TRP 5 -7.268 5.117 -2.108
39 1HB TRP 5 1HB TRP 5 -7.640 7.321 -0.115
40 2HB TRP 5 2HB TRP 5 -7.717 7.706 -1.834
41 HD1 TRP 5 HD1 TRP 5 -9.368 5.442 0.782
42 HE1 TRP 5 HE1 TRP 5 -11.722 4.804 -0.053
43 HE3 TRP 5 HE3 TRP 5 -9.220 7.503 -3.872
44 HZ2 TRP 5 HZ2 TRP 5 -13.327 5.125 -2.401
45 HZ3 TRP 5 HZ3 TRP 5 -11.170 7.322 -5.395
46 HH2 TRP 5 HH2 TRP 5 -13.219 6.132 -4.664
47 H ASN 6 H ASN 6 -4.411 5.083 -0.895
48 HA ASN 6 HA ASN 6 -3.236 7.007 -2.874
49 1HB ASN 6 1HB ASN 6 -2.675 6.526 0.034
50 2HB ASN 6 2HB ASN 6 -1.343 7.011 -1.011
51 1HD2 ASN 6 2HD2 ASN 6 -4.177 8.154 0.660
52 2HD2 ASN 6 1HD2 ASN 6 -4.117 9.753 0.092
53 H ARG 7 H ARG 7 -1.041 6.310 -3.595
54 HA ARG 7 HA ARG 7 -0.958 3.461 -4.185
55 1HB ARG 7 1HB ARG 7 1.010 4.105 -5.476
56 2HB ARG 7 2HB ARG 7 -0.228 5.345 -5.682
57 1HG ARG 7 1HG ARG 7 1.044 6.332 -3.505
58 2HG ARG 7 2HG ARG 7 2.389 5.495 -4.280
59 1HD ARG 7 1HD ARG 7 0.970 6.872 -6.337
60 2HD ARG 7 2HD ARG 7 1.232 8.017 -5.007
61 1HH1 ARG 7 1HH1 ARG 7 2.768 5.396 -7.513
62 2HH1 ARG 7 2HH1 ARG 7 3.500 6.304 -8.793
63 1HH2 ARG 7 1HH2 ARG 7 4.099 9.103 -6.822
64 2HH2 ARG 7 2HH2 ARG 7 4.255 8.408 -8.402
65 H CYS 8 H CYS 8 0.413 1.889 -3.288
66 HA CYS 8 HA CYS 8 2.318 2.753 -1.151
67 1HB CYS 8 1HB CYS 8 1.395 0.949 0.290
68 2HB CYS 8 2HB CYS 8 0.172 2.154 -0.112
69 H GLY 9 H GLY 9 4.223 1.600 -1.182
70 1HA GLY 9 1HA GLY 9 4.328 -0.916 -2.792
71 2HA GLY 9 2HA GLY 9 5.535 0.348 -3.028
72 HA PRO 10 HA PRO 10 6.142 -1.554 1.378
73 1HB PRO 10 1HB PRO 10 5.243 -4.133 1.625
74 2HB PRO 10 2HB PRO 10 4.265 -2.718 2.066
75 1HG PRO 10 1HG PRO 10 4.187 -4.375 -0.409
76 2HG PRO 10 2HG PRO 10 2.852 -3.682 0.526
77 1HD PRO 10 1HD PRO 10 3.754 -2.586 -1.785
78 2HD PRO 10 2HD PRO 10 3.046 -1.621 -0.470
79 H LYS 11 H LYS 11 6.219 -3.551 -1.555
80 HA LYS 11 HA LYS 11 8.624 -5.019 -0.720
81 1HB LYS 11 1HB LYS 11 6.547 -5.316 -2.569
82 2HB LYS 11 2HB LYS 11 7.964 -4.995 -3.569
83 1HG LYS 11 1HG LYS 11 7.913 -7.061 -1.352
84 2HG LYS 11 2HG LYS 11 7.599 -7.440 -3.047
85 1HD LYS 11 1HD LYS 11 9.812 -6.651 -3.684
86 2HD LYS 11 2HD LYS 11 10.129 -6.108 -2.037
87 1HE LYS 11 1HE LYS 11 9.338 -8.845 -1.870
88 2HE LYS 11 2HE LYS 11 10.569 -8.718 -3.142
89 1HZ LYS 11 1HZ LYS 11 11.216 -7.008 -1.001
90 2HZ LYS 11 2HZ LYS 11 10.975 -8.562 -0.404
91 H MET 12 H MET 12 7.916 -1.991 -2.266
92 HA MET 12 HA MET 12 10.589 -1.788 -3.536
93 1HB MET 12 1HB MET 12 8.004 -0.885 -4.084
94 2HB MET 12 2HB MET 12 8.854 0.565 -3.553
95 1HG MET 12 1HG MET 12 10.500 -1.046 -5.336
96 2HG MET 12 2HG MET 12 8.978 -0.581 -6.096
97 1HE MET 12 1HE MET 12 8.660 1.070 -7.268
98 2HE MET 12 2HE MET 12 9.404 2.674 -7.320
99 3HE MET 12 3HE MET 12 10.272 1.276 -7.950
100 H ASP 13 H ASP 13 8.769 -0.443 -0.782
101 HA ASP 13 HA ASP 13 11.228 1.113 -0.024
102 1HB ASP 13 1HB ASP 13 8.904 2.178 -0.682
103 2HB ASP 13 2HB ASP 13 8.456 1.721 0.961
104 H GLY 14 H GLY 14 8.799 -1.201 1.038
105 1HA GLY 14 1HA GLY 14 9.191 -2.762 2.837
106 2HA GLY 14 2HA GLY 14 10.354 -1.633 3.529
107 H VAL 15 H VAL 15 7.362 -0.268 2.435
108 HA VAL 15 HA VAL 15 6.226 -0.333 5.199
109 HB VAL 15 HB VAL 15 6.786 2.096 3.458
110 1HG1 VAL 15 1HG1 VAL 15 4.592 2.078 4.822
111 2HG1 VAL 15 2HG1 VAL 15 5.626 2.109 6.251
112 3HG1 VAL 15 3HG1 VAL 15 5.689 3.433 5.088
113 1HG2 VAL 15 1HG2 VAL 15 7.930 1.055 6.063
114 2HG2 VAL 15 2HG2 VAL 15 8.795 1.427 4.571
115 3HG2 VAL 15 3HG2 VAL 15 8.127 2.732 5.553
116 HA PRO 16 HA PRO 16 2.813 -1.130 2.329
117 1HB PRO 16 1HB PRO 16 1.234 -2.387 4.170
118 2HB PRO 16 2HB PRO 16 2.569 -3.208 3.338
119 1HG PRO 16 1HG PRO 16 2.444 -2.111 6.093
120 2HG PRO 16 2HG PRO 16 3.273 -3.552 5.488
121 1HD PRO 16 1HD PRO 16 4.504 -1.153 6.052
122 2HD PRO 16 2HD PRO 16 5.154 -2.391 4.956
123 H CYS 17 H CYS 17 0.235 -0.776 2.913
124 HA CYS 17 HA CYS 17 -0.082 2.012 3.559
125 1HB CYS 17 1HB CYS 17 -1.713 -0.326 2.821
126 2HB CYS 17 2HB CYS 17 -2.567 0.838 3.834
127 H CYS 18 H CYS 18 -1.621 2.722 5.387
128 HA CYS 18 HA CYS 18 -0.533 2.043 7.936
129 1HB CYS 18 1HB CYS 18 -3.183 3.268 7.138
130 2HB CYS 18 2HB CYS 18 -2.519 3.310 8.770
131 H GLU 19 H GLU 19 -1.910 1.163 9.793
132 HA GLU 19 HA GLU 19 -2.484 -1.568 9.424
133 1HB GLU 19 1HB GLU 19 -3.311 0.458 11.509
134 2HB GLU 19 2HB GLU 19 -3.644 -1.265 11.688
135 1HG GLU 19 1HG GLU 19 -1.575 -1.471 12.561
136 2HG GLU 19 2HG GLU 19 -0.947 -1.151 10.944
137 HA PRO 20 HA PRO 20 -7.162 -0.580 9.326
138 1HB PRO 20 1HB PRO 20 -7.922 1.949 8.600
139 2HB PRO 20 2HB PRO 20 -7.684 1.447 10.285
140 1HG PRO 20 1HG PRO 20 -5.869 2.981 8.494
141 2HG PRO 20 2HG PRO 20 -6.200 3.197 10.220
142 1HD PRO 20 1HD PRO 20 -3.966 1.974 9.268
143 2HD PRO 20 2HD PRO 20 -4.692 1.592 10.844
144 H TYR 21 H TYR 21 -4.769 0.023 7.046
145 HA TYR 21 HA TYR 21 -6.744 -0.301 4.802
146 1HB TYR 21 1HB TYR 21 -4.187 1.336 4.747
147 2HB TYR 21 2HB TYR 21 -5.401 1.235 3.474
148 HD1 TYR 21 HD1 TYR 21 -7.949 1.532 4.750
149 HD2 TYR 21 HD2 TYR 21 -4.226 3.432 5.741
150 HE1 TYR 21 HE1 TYR 21 -9.185 3.404 5.809
151 HE2 TYR 21 HE2 TYR 21 -5.461 5.300 6.799
152 HH TYR 21 HH TYR 21 -8.059 6.264 6.363
153 H THR 22 H THR 22 -5.826 -1.404 2.910
154 HA THR 22 HA THR 22 -3.347 -2.994 3.462
155 HB THR 22 HB THR 22 -4.640 -4.961 2.525
156 HG1 THR 22 HG1 THR 22 -6.927 -3.388 3.041
157 1HG2 THR 22 1HG2 THR 22 -4.373 -4.317 5.034
158 2HG2 THR 22 2HG2 THR 22 -6.076 -3.865 4.935
159 3HG2 THR 22 3HG2 THR 22 -5.582 -5.526 4.601
160 H CYS 23 H CYS 23 -2.302 -3.779 1.492
161 HA CYS 23 HA CYS 23 -2.968 -2.123 -0.913
162 1HB CYS 23 1HB CYS 23 -0.478 -3.584 0.025
163 2HB CYS 23 2HB CYS 23 -0.594 -2.756 -1.527
164 H THR 24 H THR 24 -3.361 -3.136 -2.906
165 HA THR 24 HA THR 24 -4.099 -5.983 -2.834
166 HB THR 24 HB THR 24 -5.375 -4.130 -3.990
167 HG1 THR 24 HG1 THR 24 -6.048 -5.544 -5.422
168 1HG2 THR 24 1HG2 THR 24 -2.955 -3.361 -4.970
169 2HG2 THR 24 2HG2 THR 24 -3.576 -4.286 -6.337
170 3HG2 THR 24 3HG2 THR 24 -4.493 -2.918 -5.709
171 H SER 25 H SER 25 -1.313 -4.117 -3.763
172 HA SER 25 HA SER 25 -0.085 -6.574 -4.965
173 1HB SER 25 1HB SER 25 -0.103 -3.702 -5.910
174 2HB SER 25 2HB SER 25 1.089 -4.861 -6.485
175 HG SER 25 HG SER 25 -1.570 -4.603 -7.091
176 H ASP 26 H ASP 26 2.414 -6.247 -5.038
177 HA ASP 26 HA ASP 26 3.286 -5.186 -2.387
178 1HB ASP 26 1HB ASP 26 4.146 -7.305 -4.315
179 2HB ASP 26 2HB ASP 26 5.383 -6.592 -3.280
180 H TYR 27 H TYR 27 3.881 -4.867 -5.863
181 HA TYR 27 HA TYR 27 6.102 -2.950 -5.420
182 1HB TYR 27 1HB TYR 27 4.778 -3.970 -7.955
183 2HB TYR 27 2HB TYR 27 6.318 -3.118 -7.857
184 HD1 TYR 27 HD1 TYR 27 7.860 -4.256 -5.820
185 HD2 TYR 27 HD2 TYR 27 5.024 -6.252 -8.355
186 HE1 TYR 27 HE1 TYR 27 9.026 -6.406 -5.430
187 HE2 TYR 27 HE2 TYR 27 6.192 -8.404 -7.966
188 HH TYR 27 HH TYR 27 8.997 -8.847 -7.146
189 H TYR 28 H TYR 28 2.954 -3.002 -7.109
190 HA TYR 28 HA TYR 28 2.632 -0.098 -6.470
191 1HB TYR 28 1HB TYR 28 3.534 -0.375 -8.761
192 2HB TYR 28 2HB TYR 28 2.196 -1.454 -9.156
193 HD1 TYR 28 HD1 TYR 28 2.373 1.804 -7.291
194 HD2 TYR 28 HD2 TYR 28 0.718 -0.372 -10.606
195 HE1 TYR 28 HE1 TYR 28 0.961 3.757 -7.868
196 HE2 TYR 28 HE2 TYR 28 -0.693 1.583 -11.182
197 HH TYR 28 HH TYR 28 -0.245 4.445 -10.483
198 H GLY 29 H GLY 29 1.075 -0.770 -4.860
199 1HA GLY 29 1HA GLY 29 -1.476 -1.831 -6.018
200 2HA GLY 29 2HA GLY 29 -0.910 -2.291 -4.413
201 H ASN 30 H ASN 30 -3.413 -1.143 -4.698
202 HA ASN 30 HA ASN 30 -3.022 1.627 -3.604
203 1HB ASN 30 1HB ASN 30 -5.094 0.352 -5.392
204 2HB ASN 30 2HB ASN 30 -5.468 1.821 -4.491
205 1HD2 ASN 30 2HD2 ASN 30 -4.932 3.740 -5.554
206 2HD2 ASN 30 1HD2 ASN 30 -3.775 3.878 -6.789
207 H CYS 31 H CYS 31 -4.715 2.252 -2.000
208 HA CYS 31 HA CYS 31 -5.793 -0.099 -0.468
209 1HB CYS 31 1HB CYS 31 -4.668 2.516 0.601
210 2HB CYS 31 2HB CYS 31 -5.176 1.126 1.560
211 H SER 32 H SER 32 -7.731 0.495 0.872
212 HA SER 32 HA SER 32 -9.117 3.015 0.492
213 1HB SER 32 1HB SER 32 -10.956 1.948 -0.942
214 2HB SER 32 2HB SER 32 -9.428 2.248 -1.762
215 HG SER 32 HG SER 32 -10.282 0.125 -2.122
Start of MODEL 5
1 1H CYS 1 1H CYS 1 3.862 5.413 6.965
2 2H CYS 1 2H CYS 1 2.975 4.938 8.312
3 H CYS 1 H CYS 1 2.786 6.135 4.494
4 HA CYS 1 HA CYS 1 2.973 3.023 6.138
5 1HB CYS 1 1HB CYS 1 0.764 2.697 6.988
6 2HB CYS 1 2HB CYS 1 1.763 3.018 8.405
7 H ILE 2 H ILE 2 0.804 3.391 4.761
8 HA ILE 2 HA ILE 2 1.016 6.111 3.508
9 HB ILE 2 HB ILE 2 0.418 3.328 2.475
10 1HG1 ILE 2 1HG1 ILE 2 2.262 4.832 0.889
11 2HG1 ILE 2 2HG1 ILE 2 2.731 5.019 2.578
12 1HG2 ILE 2 1HG2 ILE 2 -1.190 4.925 1.461
13 2HG2 ILE 2 2HG2 ILE 2 0.161 5.937 0.948
14 3HG2 ILE 2 3HG2 ILE 2 -0.034 4.318 0.277
15 1HD1 ILE 2 1HD1 ILE 2 2.022 2.288 2.202
16 2HD1 ILE 2 2HD1 ILE 2 3.088 2.740 0.873
17 3HD1 ILE 2 3HD1 ILE 2 3.619 2.955 2.540
18 HA PRO 3 HA PRO 3 -3.195 6.675 4.758
19 1HB PRO 3 1HB PRO 3 -3.964 8.542 2.906
20 2HB PRO 3 2HB PRO 3 -2.929 8.925 4.296
21 1HG PRO 3 1HG PRO 3 -2.172 8.419 1.459
22 2HG PRO 3 2HG PRO 3 -1.544 9.624 2.595
23 1HD PRO 3 1HD PRO 3 -0.223 7.333 2.012
24 2HD PRO 3 2HD PRO 3 -0.114 8.130 3.597
25 H LYS 4 H LYS 4 -5.296 5.979 4.091
26 HA LYS 4 HA LYS 4 -5.464 3.930 2.126
27 1HB LYS 4 1HB LYS 4 -7.804 3.947 2.666
28 2HB LYS 4 2HB LYS 4 -6.946 4.393 4.136
29 1HG LYS 4 1HG LYS 4 -7.454 6.724 3.830
30 2HG LYS 4 2HG LYS 4 -8.074 6.434 2.205
31 1HD LYS 4 1HD LYS 4 -10.000 5.317 3.012
32 2HD LYS 4 2HD LYS 4 -9.299 5.088 4.614
33 1HE LYS 4 1HE LYS 4 -9.540 7.412 5.160
34 2HE LYS 4 2HE LYS 4 -9.897 7.838 3.475
35 1HZ LYS 4 1HZ LYS 4 -12.007 7.207 3.711
36 2HZ LYS 4 2HZ LYS 4 -11.588 5.758 4.454
37 H TRP 5 H TRP 5 -6.983 4.010 0.203
38 HA TRP 5 HA TRP 5 -7.511 4.853 -1.924
39 1HB TRP 5 1HB TRP 5 -7.908 7.100 0.012
40 2HB TRP 5 2HB TRP 5 -8.037 7.451 -1.713
41 HD1 TRP 5 HD1 TRP 5 -9.559 5.228 1.000
42 HE1 TRP 5 HE1 TRP 5 -11.895 4.457 0.229
43 HE3 TRP 5 HE3 TRP 5 -9.561 7.088 -3.744
44 HZ2 TRP 5 HZ2 TRP 5 -13.543 4.608 -2.104
45 HZ3 TRP 5 HZ3 TRP 5 -11.522 6.757 -5.226
46 HH2 TRP 5 HH2 TRP 5 -13.508 5.516 -4.409
47 H ASN 6 H ASN 6 -4.609 4.913 -0.931
48 HA ASN 6 HA ASN 6 -3.596 6.830 -3.000
49 1HB ASN 6 1HB ASN 6 -2.880 6.491 -0.104
50 2HB ASN 6 2HB ASN 6 -1.631 7.006 -1.230
51 1HD2 ASN 6 2HD2 ASN 6 -4.325 8.101 0.633
52 2HD2 ASN 6 1HD2 ASN 6 -4.414 9.666 -0.017
53 H ARG 7 H ARG 7 -1.462 6.184 -3.860
54 HA ARG 7 HA ARG 7 -1.231 3.325 -4.285
55 1HB ARG 7 1HB ARG 7 0.692 3.983 -5.651
56 2HB ARG 7 2HB ARG 7 -0.633 5.111 -5.928
57 1HG ARG 7 1HG ARG 7 0.387 6.803 -4.602
58 2HG ARG 7 2HG ARG 7 1.524 5.664 -3.880
59 1HD ARG 7 1HD ARG 7 2.984 6.386 -5.477
60 2HD ARG 7 2HD ARG 7 2.029 5.404 -6.605
61 1HH1 ARG 7 1HH2 ARG 7 2.658 7.040 -8.715
62 2HH1 ARG 7 2HH2 ARG 7 3.534 8.535 -8.749
63 1HH2 ARG 7 1HH1 ARG 7 2.236 9.673 -5.735
64 2HH2 ARG 7 2HH1 ARG 7 3.294 10.027 -7.058
65 H CYS 8 H CYS 8 0.460 1.927 -3.561
66 HA CYS 8 HA CYS 8 2.274 2.933 -1.414
67 1HB CYS 8 1HB CYS 8 1.502 1.112 0.068
68 2HB CYS 8 2HB CYS 8 0.156 2.160 -0.376
69 H GLY 9 H GLY 9 3.953 1.248 -0.866
70 1HA GLY 9 1HA GLY 9 4.275 -1.023 -2.688
71 2HA GLY 9 2HA GLY 9 5.424 0.284 -2.975
72 HA PRO 10 HA PRO 10 6.221 -1.472 1.453
73 1HB PRO 10 1HB PRO 10 5.346 -4.042 1.846
74 2HB PRO 10 2HB PRO 10 4.380 -2.613 2.265
75 1HG PRO 10 1HG PRO 10 4.192 -4.391 -0.115
76 2HG PRO 10 2HG PRO 10 2.904 -3.628 0.829
77 1HD PRO 10 1HD PRO 10 3.754 -2.687 -1.581
78 2HD PRO 10 2HD PRO 10 3.053 -1.652 -0.319
79 H LYS 11 H LYS 11 6.183 -3.625 -1.376
80 HA LYS 11 HA LYS 11 8.606 -5.064 -0.586
81 1HB LYS 11 1HB LYS 11 6.524 -5.526 -2.274
82 2HB LYS 11 2HB LYS 11 7.733 -4.955 -3.424
83 1HG LYS 11 1HG LYS 11 7.990 -7.346 -3.254
84 2HG LYS 11 2HG LYS 11 9.352 -6.612 -2.407
85 1HD LYS 11 1HD LYS 11 8.756 -7.613 -0.483
86 2HD LYS 11 2HD LYS 11 7.138 -6.922 -0.583
87 1HE LYS 11 1HE LYS 11 6.545 -8.782 -2.211
88 2HE LYS 11 2HE LYS 11 8.101 -9.529 -1.802
89 1HZ LYS 11 1HZ LYS 11 5.888 -8.865 0.049
90 2HZ LYS 11 2HZ LYS 11 6.510 -10.390 -0.289
91 H MET 12 H MET 12 8.033 -1.943 -1.829
92 HA MET 12 HA MET 12 10.560 -1.805 -3.381
93 1HB MET 12 1HB MET 12 8.073 -0.734 -3.702
94 2HB MET 12 2HB MET 12 8.886 0.594 -2.874
95 1HG MET 12 1HG MET 12 9.276 0.985 -5.186
96 2HG MET 12 2HG MET 12 10.779 0.289 -4.585
97 1HE MET 12 1HE MET 12 9.168 0.544 -7.500
98 2HE MET 12 2HE MET 12 8.550 -0.985 -8.119
99 3HE MET 12 3HE MET 12 7.668 -0.118 -6.854
100 H ASP 13 H ASP 13 9.073 -0.396 -0.430
101 HA ASP 13 HA ASP 13 11.808 0.583 0.345
102 1HB ASP 13 1HB ASP 13 10.870 2.590 1.025
103 2HB ASP 13 2HB ASP 13 9.809 2.184 -0.320
104 H GLY 14 H GLY 14 8.856 -1.031 1.419
105 1HA GLY 14 1HA GLY 14 9.112 -2.764 3.166
106 2HA GLY 14 2HA GLY 14 10.269 -1.702 3.964
107 H VAL 15 H VAL 15 7.422 -0.200 2.632
108 HA VAL 15 HA VAL 15 6.123 -0.202 5.325
109 HB VAL 15 HB VAL 15 6.946 2.146 3.594
110 1HG1 VAL 15 1HG1 VAL 15 4.866 1.902 5.726
111 2HG1 VAL 15 2HG1 VAL 15 5.853 3.364 5.696
112 3HG1 VAL 15 3HG1 VAL 15 4.885 2.923 4.289
113 1HG2 VAL 15 1HG2 VAL 15 8.657 1.231 5.133
114 2HG2 VAL 15 2HG2 VAL 15 8.135 2.835 5.646
115 3HG2 VAL 15 3HG2 VAL 15 7.533 1.402 6.481
116 HA PRO 16 HA PRO 16 2.867 -0.985 2.236
117 1HB PRO 16 1HB PRO 16 1.204 -2.283 3.966
118 2HB PRO 16 2HB PRO 16 2.591 -3.086 3.203
119 1HG PRO 16 1HG PRO 16 2.328 -1.967 5.951
120 2HG PRO 16 2HG PRO 16 3.123 -3.453 5.413
121 1HD PRO 16 1HD PRO 16 4.457 -1.153 6.019
122 2HD PRO 16 2HD PRO 16 5.062 -2.370 4.874
123 H CYS 17 H CYS 17 0.228 -0.750 2.869
124 HA CYS 17 HA CYS 17 -0.149 2.048 3.514
125 1HB CYS 17 1HB CYS 17 -1.719 -0.303 2.697
126 2HB CYS 17 2HB CYS 17 -2.609 0.789 3.759
127 H CYS 18 H CYS 18 -1.601 2.738 5.404
128 HA CYS 18 HA CYS 18 -0.474 1.941 7.893
129 1HB CYS 18 1HB CYS 18 -2.363 3.797 6.899
130 2HB CYS 18 2HB CYS 18 -3.156 2.938 8.220
131 H GLU 19 H GLU 19 -1.587 0.875 9.727
132 HA GLU 19 HA GLU 19 -2.300 -1.777 9.284
133 1HB GLU 19 1HB GLU 19 -2.045 0.004 11.431
134 2HB GLU 19 2HB GLU 19 -3.666 -0.669 11.598
135 1HG GLU 19 1HG GLU 19 -2.331 -2.221 12.755
136 2HG GLU 19 2HG GLU 19 -2.515 -2.963 11.167
137 HA PRO 20 HA PRO 20 -6.978 -0.713 9.477
138 1HB PRO 20 1HB PRO 20 -7.701 1.858 8.851
139 2HB PRO 20 2HB PRO 20 -7.413 1.300 10.511
140 1HG PRO 20 1HG PRO 20 -5.608 2.811 8.683
141 2HG PRO 20 2HG PRO 20 -5.891 3.026 10.418
142 1HD PRO 20 1HD PRO 20 -3.713 1.759 9.448
143 2HD PRO 20 2HD PRO 20 -4.459 1.323 11.000
144 H TYR 21 H TYR 21 -4.669 -0.047 7.119
145 HA TYR 21 HA TYR 21 -6.721 -0.294 4.939
146 1HB TYR 21 1HB TYR 21 -4.148 1.322 4.885
147 2HB TYR 21 2HB TYR 21 -5.373 1.261 3.618
148 HD1 TYR 21 HD1 TYR 21 -7.904 1.589 4.805
149 HD2 TYR 21 HD2 TYR 21 -4.177 3.324 6.059
150 HE1 TYR 21 HE1 TYR 21 -9.135 3.426 5.923
151 HE2 TYR 21 HE2 TYR 21 -5.409 5.161 7.176
152 HH TYR 21 HH TYR 21 -8.803 5.060 7.686
153 H THR 22 H THR 22 -5.798 -1.306 2.944
154 HA THR 22 HA THR 22 -3.340 -2.945 3.428
155 HB THR 22 HB THR 22 -4.664 -4.874 2.423
156 HG1 THR 22 HG1 THR 22 -6.925 -3.345 3.144
157 1HG2 THR 22 1HG2 THR 22 -4.243 -4.395 4.930
158 2HG2 THR 22 2HG2 THR 22 -5.934 -3.890 4.974
159 3HG2 THR 22 3HG2 THR 22 -5.519 -5.541 4.515
160 H CYS 23 H CYS 23 -2.309 -3.659 1.455
161 HA CYS 23 HA CYS 23 -2.956 -1.946 -0.905
162 1HB CYS 23 1HB CYS 23 -0.537 -3.486 0.066
163 2HB CYS 23 2HB CYS 23 -0.603 -2.773 -1.545
164 H THR 24 H THR 24 -3.001 -2.936 -3.043
165 HA THR 24 HA THR 24 -4.170 -5.643 -3.054
166 HB THR 24 HB THR 24 -4.551 -5.107 -5.450
167 HG1 THR 24 HG1 THR 24 -3.414 -2.581 -4.975
168 1HG2 THR 24 1HG2 THR 24 -5.861 -4.067 -3.362
169 2HG2 THR 24 2HG2 THR 24 -5.254 -2.564 -4.060
170 3HG2 THR 24 3HG2 THR 24 -6.269 -3.637 -5.024
171 H SER 25 H SER 25 -1.218 -4.038 -4.212
172 HA SER 25 HA SER 25 -0.047 -6.747 -4.763
173 1HB SER 25 1HB SER 25 -0.251 -4.258 -6.388
174 2HB SER 25 2HB SER 25 1.258 -5.157 -6.506
175 HG SER 25 HG SER 25 -1.364 -5.930 -7.167
176 H ASP 26 H ASP 26 2.415 -6.644 -4.748
177 HA ASP 26 HA ASP 26 3.331 -5.144 -2.373
178 1HB ASP 26 1HB ASP 26 4.097 -7.499 -3.975
179 2HB ASP 26 2HB ASP 26 5.469 -6.565 -3.379
180 H TYR 27 H TYR 27 3.967 -5.228 -5.882
181 HA TYR 27 HA TYR 27 6.145 -3.277 -5.740
182 1HB TYR 27 1HB TYR 27 4.655 -4.856 -7.774
183 2HB TYR 27 2HB TYR 27 5.370 -3.350 -8.346
184 HD1 TYR 27 HD1 TYR 27 7.867 -2.932 -7.430
185 HD2 TYR 27 HD2 TYR 27 5.984 -6.769 -7.860
186 HE1 TYR 27 HE1 TYR 27 10.095 -4.014 -7.520
187 HE2 TYR 27 HE2 TYR 27 8.212 -7.852 -7.948
188 HH TYR 27 HH TYR 27 10.786 -6.852 -6.896
189 H TYR 28 H TYR 28 2.907 -3.158 -7.266
190 HA TYR 28 HA TYR 28 2.654 -0.306 -6.400
191 1HB TYR 28 1HB TYR 28 3.560 -0.319 -8.672
192 2HB TYR 28 2HB TYR 28 2.307 -1.443 -9.197
193 HD1 TYR 28 HD1 TYR 28 2.263 1.697 -7.129
194 HD2 TYR 28 HD2 TYR 28 0.769 -0.368 -10.589
195 HE1 TYR 28 HE1 TYR 28 0.753 3.603 -7.616
196 HE2 TYR 28 HE2 TYR 28 -0.738 1.540 -11.075
197 HH TYR 28 HH TYR 28 -0.601 4.201 -10.435
198 H GLY 29 H GLY 29 0.707 -0.085 -5.385
199 1HA GLY 29 1HA GLY 29 -1.736 -1.225 -6.499
200 2HA GLY 29 2HA GLY 29 -1.245 -2.002 -4.994
201 H ASN 30 H ASN 30 -3.656 -0.537 -5.194
202 HA ASN 30 HA ASN 30 -3.052 1.954 -3.630
203 1HB ASN 30 1HB ASN 30 -5.344 1.105 -5.423
204 2HB ASN 30 2HB ASN 30 -5.411 2.548 -4.413
205 1HD2 ASN 30 2HD2 ASN 30 -4.909 1.786 -7.534
206 2HD2 ASN 30 1HD2 ASN 30 -3.740 2.942 -7.960
207 H CYS 31 H CYS 31 -4.716 2.441 -1.908
208 HA CYS 31 HA CYS 31 -5.771 -0.083 -0.654
209 1HB CYS 31 1HB CYS 31 -4.784 2.464 0.677
210 2HB CYS 31 2HB CYS 31 -5.206 0.953 1.481
211 H SER 32 H SER 32 -7.500 0.654 1.129
212 HA SER 32 HA SER 32 -9.083 3.024 0.551
213 1HB SER 32 1HB SER 32 -11.079 1.589 -0.250
214 2HB SER 32 2HB SER 32 -9.779 1.855 -1.406
215 HG SER 32 HG SER 32 -10.149 -0.305 -1.433
Start of MODEL 6
1 1H CYS 1 1H CYS 1 2.808 5.896 7.956
2 2H CYS 1 2H CYS 1 2.662 4.680 9.109
3 H CYS 1 H CYS 1 2.805 6.022 4.808
4 HA CYS 1 HA CYS 1 2.931 3.210 6.884
5 1HB CYS 1 1HB CYS 1 0.554 2.806 7.239
6 2HB CYS 1 2HB CYS 1 1.335 3.047 8.801
7 H ILE 2 H ILE 2 0.767 3.385 5.235
8 HA ILE 2 HA ILE 2 1.317 5.868 3.654
9 HB ILE 2 HB ILE 2 0.851 2.989 3.114
10 1HG1 ILE 2 1HG1 ILE 2 2.325 3.525 1.183
11 2HG1 ILE 2 2HG1 ILE 2 2.248 5.231 1.619
12 1HG2 ILE 2 1HG2 ILE 2 -0.313 5.131 1.310
13 2HG2 ILE 2 2HG2 ILE 2 -0.046 3.459 0.821
14 3HG2 ILE 2 3HG2 ILE 2 -1.194 3.828 2.107
15 1HD1 ILE 2 1HD1 ILE 2 3.051 3.312 3.755
16 2HD1 ILE 2 2HD1 ILE 2 4.224 3.643 2.481
17 3HD1 ILE 2 3HD1 ILE 2 3.597 4.963 3.466
18 HA PRO 3 HA PRO 3 -2.845 7.180 4.351
19 1HB PRO 3 1HB PRO 3 -3.238 8.666 2.079
20 2HB PRO 3 2HB PRO 3 -2.239 9.222 3.439
21 1HG PRO 3 1HG PRO 3 -1.403 8.001 0.851
22 2HG PRO 3 2HG PRO 3 -0.676 9.341 1.753
23 1HD PRO 3 1HD PRO 3 0.337 6.829 1.788
24 2HD PRO 3 2HD PRO 3 0.474 7.943 3.167
25 H LYS 4 H LYS 4 -4.906 6.387 3.814
26 HA LYS 4 HA LYS 4 -5.137 4.092 2.144
27 1HB LYS 4 1HB LYS 4 -7.410 4.139 2.803
28 2HB LYS 4 2HB LYS 4 -6.560 4.923 4.131
29 1HG LYS 4 1HG LYS 4 -7.376 6.793 2.014
30 2HG LYS 4 2HG LYS 4 -8.731 5.976 2.785
31 1HD LYS 4 1HD LYS 4 -8.396 7.021 4.782
32 2HD LYS 4 2HD LYS 4 -6.640 6.951 4.639
33 1HE LYS 4 1HE LYS 4 -7.723 8.709 2.601
34 2HE LYS 4 2HE LYS 4 -8.267 9.218 4.212
35 1HZ LYS 4 1HZ LYS 4 -6.184 10.152 4.121
36 2HZ LYS 4 2HZ LYS 4 -5.825 8.675 4.841
37 H TRP 5 H TRP 5 -6.488 3.880 0.200
38 HA TRP 5 HA TRP 5 -6.973 4.404 -2.035
39 1HB TRP 5 1HB TRP 5 -7.694 6.850 -0.440
40 2HB TRP 5 2HB TRP 5 -7.958 6.802 -2.186
41 HD1 TRP 5 HD1 TRP 5 -8.869 4.835 0.990
42 HE1 TRP 5 HE1 TRP 5 -11.102 3.613 0.583
43 HE3 TRP 5 HE3 TRP 5 -9.581 5.966 -3.918
44 HZ2 TRP 5 HZ2 TRP 5 -12.946 3.170 -1.562
45 HZ3 TRP 5 HZ3 TRP 5 -11.578 5.131 -5.131
46 HH2 TRP 5 HH2 TRP 5 -13.257 3.732 -3.959
47 H ASN 6 H ASN 6 -4.176 4.690 -1.265
48 HA ASN 6 HA ASN 6 -3.335 6.710 -3.308
49 1HB ASN 6 1HB ASN 6 -2.708 6.511 -0.415
50 2HB ASN 6 2HB ASN 6 -1.327 6.825 -1.462
51 1HD2 ASN 6 2HD2 ASN 6 -4.391 8.158 -0.294
52 2HD2 ASN 6 1HD2 ASN 6 -4.158 9.715 -0.928
53 H ARG 7 H ARG 7 -1.172 6.201 -4.211
54 HA ARG 7 HA ARG 7 -0.797 3.389 -4.746
55 1HB ARG 7 1HB ARG 7 0.483 5.994 -5.395
56 2HB ARG 7 2HB ARG 7 1.510 4.570 -5.557
57 1HG ARG 7 1HG ARG 7 -0.798 3.692 -6.739
58 2HG ARG 7 2HG ARG 7 -0.821 5.402 -7.170
59 1HD ARG 7 1HD ARG 7 1.578 3.582 -7.598
60 2HD ARG 7 2HD ARG 7 0.403 4.001 -8.859
61 1HH1 ARG 7 1HH2 ARG 7 1.817 5.765 -10.601
62 2HH1 ARG 7 2HH2 ARG 7 0.832 7.171 -10.826
63 1HH2 ARG 7 1HH1 ARG 7 0.085 7.511 -7.448
64 2HH2 ARG 7 2HH1 ARG 7 -0.153 8.163 -9.035
65 H CYS 8 H CYS 8 0.233 1.917 -3.464
66 HA CYS 8 HA CYS 8 2.290 2.908 -1.513
67 1HB CYS 8 1HB CYS 8 1.404 1.334 0.070
68 2HB CYS 8 2HB CYS 8 0.014 2.165 -0.623
69 H GLY 9 H GLY 9 4.018 1.365 -1.055
70 1HA GLY 9 1HA GLY 9 4.253 -0.971 -2.860
71 2HA GLY 9 2HA GLY 9 5.484 0.283 -3.013
72 HA PRO 10 HA PRO 10 5.864 -1.774 1.349
73 1HB PRO 10 1HB PRO 10 5.031 -4.388 1.414
74 2HB PRO 10 2HB PRO 10 3.984 -3.025 1.862
75 1HG PRO 10 1HG PRO 10 4.099 -4.565 -0.685
76 2HG PRO 10 2HG PRO 10 2.694 -3.942 0.195
77 1HD PRO 10 1HD PRO 10 3.720 -2.728 -2.009
78 2HD PRO 10 2HD PRO 10 2.889 -1.843 -0.711
79 H LYS 11 H LYS 11 6.035 -3.949 -1.499
80 HA LYS 11 HA LYS 11 8.527 -5.183 -0.669
81 1HB LYS 11 1HB LYS 11 6.518 -5.763 -2.418
82 2HB LYS 11 2HB LYS 11 7.737 -5.139 -3.529
83 1HG LYS 11 1HG LYS 11 9.005 -6.995 -3.317
84 2HG LYS 11 2HG LYS 11 8.908 -6.940 -1.556
85 1HD LYS 11 1HD LYS 11 6.704 -8.010 -1.617
86 2HD LYS 11 2HD LYS 11 6.735 -8.014 -3.380
87 1HE LYS 11 1HE LYS 11 9.059 -9.295 -2.953
88 2HE LYS 11 2HE LYS 11 8.217 -9.757 -1.461
89 1HZ LYS 11 1HZ LYS 11 6.522 -9.817 -3.763
90 2HZ LYS 11 2HZ LYS 11 7.814 -10.884 -3.902
91 H MET 12 H MET 12 7.730 -2.149 -2.068
92 HA MET 12 HA MET 12 10.336 -1.823 -3.448
93 1HB MET 12 1HB MET 12 8.090 -1.131 -4.387
94 2HB MET 12 2HB MET 12 8.005 0.088 -3.117
95 1HG MET 12 1HG MET 12 9.907 1.249 -3.963
96 2HG MET 12 2HG MET 12 10.354 -0.096 -5.012
97 1HE MET 12 1HE MET 12 7.746 2.126 -3.862
98 2HE MET 12 2HE MET 12 7.976 3.346 -5.111
99 3HE MET 12 3HE MET 12 6.554 2.295 -5.148
100 H ASP 13 H ASP 13 8.523 -0.480 -0.648
101 HA ASP 13 HA ASP 13 11.051 0.933 0.168
102 1HB ASP 13 1HB ASP 13 8.181 1.679 0.038
103 2HB ASP 13 2HB ASP 13 9.048 2.232 1.471
104 H GLY 14 H GLY 14 8.280 -1.000 1.255
105 1HA GLY 14 1HA GLY 14 8.622 -2.666 3.031
106 2HA GLY 14 2HA GLY 14 9.768 -1.556 3.782
107 H VAL 15 H VAL 15 7.122 0.197 2.596
108 HA VAL 15 HA VAL 15 5.772 0.085 5.280
109 HB VAL 15 HB VAL 15 6.251 2.462 3.445
110 1HG1 VAL 15 1HG1 VAL 15 4.136 2.380 4.949
111 2HG1 VAL 15 2HG1 VAL 15 5.261 2.541 6.297
112 3HG1 VAL 15 3HG1 VAL 15 5.171 3.802 5.068
113 1HG2 VAL 15 1HG2 VAL 15 8.271 1.532 4.674
114 2HG2 VAL 15 2HG2 VAL 15 7.864 3.200 5.082
115 3HG2 VAL 15 3HG2 VAL 15 7.429 1.891 6.181
116 HA PRO 16 HA PRO 16 2.511 -0.987 2.288
117 1HB PRO 16 1HB PRO 16 0.949 -2.279 4.120
118 2HB PRO 16 2HB PRO 16 2.352 -3.053 3.356
119 1HG PRO 16 1HG PRO 16 2.120 -1.791 6.050
120 2HG PRO 16 2HG PRO 16 2.938 -3.288 5.578
121 1HD PRO 16 1HD PRO 16 4.253 -0.957 6.011
122 2HD PRO 16 2HD PRO 16 4.821 -2.189 4.862
123 H CYS 17 H CYS 17 -0.105 -0.829 2.926
124 HA CYS 17 HA CYS 17 -0.603 1.971 3.496
125 1HB CYS 17 1HB CYS 17 -2.508 -0.400 3.536
126 2HB CYS 17 2HB CYS 17 -2.942 1.290 3.280
127 H CYS 18 H CYS 18 -1.843 2.738 5.427
128 HA CYS 18 HA CYS 18 -0.758 1.984 7.910
129 1HB CYS 18 1HB CYS 18 -2.589 3.828 6.911
130 2HB CYS 18 2HB CYS 18 -3.516 2.917 8.103
131 H GLU 19 H GLU 19 -1.888 0.932 9.786
132 HA GLU 19 HA GLU 19 -2.555 -1.740 9.279
133 1HB GLU 19 1HB GLU 19 -2.339 0.038 11.499
134 2HB GLU 19 2HB GLU 19 -3.830 -0.882 11.698
135 1HG GLU 19 1HG GLU 19 -1.324 -2.325 10.895
136 2HG GLU 19 2HG GLU 19 -1.549 -1.868 12.584
137 HA PRO 20 HA PRO 20 -7.181 -0.752 9.459
138 1HB PRO 20 1HB PRO 20 -7.947 1.789 8.773
139 2HB PRO 20 2HB PRO 20 -7.677 1.279 10.451
140 1HG PRO 20 1HG PRO 20 -5.894 2.816 8.631
141 2HG PRO 20 2HG PRO 20 -6.186 3.023 10.365
142 1HD PRO 20 1HD PRO 20 -3.980 1.796 9.357
143 2HD PRO 20 2HD PRO 20 -4.669 1.409 10.947
144 H TYR 21 H TYR 21 -4.811 -0.539 7.240
145 HA TYR 21 HA TYR 21 -6.707 -0.742 4.943
146 1HB TYR 21 1HB TYR 21 -4.386 1.198 5.208
147 2HB TYR 21 2HB TYR 21 -5.166 0.833 3.671
148 HD1 TYR 21 HD1 TYR 21 -7.779 1.073 3.619
149 HD2 TYR 21 HD2 TYR 21 -5.244 2.916 6.554
150 HE1 TYR 21 HE1 TYR 21 -9.570 2.706 4.138
151 HE2 TYR 21 HE2 TYR 21 -7.036 4.551 7.074
152 HH TYR 21 HH TYR 21 -9.489 5.249 5.186
153 H THR 22 H THR 22 -5.344 -1.429 2.912
154 HA THR 22 HA THR 22 -2.883 -2.958 3.594
155 HB THR 22 HB THR 22 -4.110 -4.925 2.319
156 HG1 THR 22 HG1 THR 22 -6.261 -4.858 2.417
157 1HG2 THR 22 1HG2 THR 22 -3.412 -4.565 4.861
158 2HG2 THR 22 2HG2 THR 22 -5.160 -4.513 5.084
159 3HG2 THR 22 3HG2 THR 22 -4.404 -5.937 4.370
160 H CYS 23 H CYS 23 -1.703 -3.626 1.657
161 HA CYS 23 HA CYS 23 -2.145 -1.818 -0.641
162 1HB CYS 23 1HB CYS 23 -0.005 -3.683 0.355
163 2HB CYS 23 2HB CYS 23 0.040 -3.138 -1.321
164 H THR 24 H THR 24 -2.979 -2.484 -2.606
165 HA THR 24 HA THR 24 -4.258 -5.063 -2.876
166 HB THR 24 HB THR 24 -3.531 -2.942 -4.927
167 HG1 THR 24 HG1 THR 24 -5.285 -1.933 -4.279
168 1HG2 THR 24 1HG2 THR 24 -5.038 -5.477 -5.053
169 2HG2 THR 24 2HG2 THR 24 -5.874 -4.089 -5.747
170 3HG2 THR 24 3HG2 THR 24 -4.282 -4.550 -6.348
171 H SER 25 H SER 25 -1.127 -3.765 -3.861
172 HA SER 25 HA SER 25 -0.336 -6.491 -4.817
173 1HB SER 25 1HB SER 25 0.187 -3.781 -6.079
174 2HB SER 25 2HB SER 25 0.950 -5.276 -6.610
175 HG SER 25 HG SER 25 -0.884 -5.910 -7.474
176 H ASP 26 H ASP 26 2.252 -6.351 -5.127
177 HA ASP 26 HA ASP 26 3.321 -5.439 -2.507
178 1HB ASP 26 1HB ASP 26 4.060 -7.386 -4.663
179 2HB ASP 26 2HB ASP 26 5.335 -6.792 -3.600
180 H TYR 27 H TYR 27 3.552 -4.677 -5.938
181 HA TYR 27 HA TYR 27 5.826 -2.814 -5.396
182 1HB TYR 27 1HB TYR 27 4.671 -4.061 -7.906
183 2HB TYR 27 2HB TYR 27 5.965 -2.864 -7.928
184 HD1 TYR 27 HD1 TYR 27 5.030 -6.279 -6.815
185 HD2 TYR 27 HD2 TYR 27 8.217 -3.433 -7.280
186 HE1 TYR 27 HE1 TYR 27 6.691 -8.064 -6.363
187 HE2 TYR 27 HE2 TYR 27 9.876 -5.219 -6.827
188 HH TYR 27 HH TYR 27 9.451 -7.795 -5.365
189 H TYR 28 H TYR 28 2.917 -2.860 -7.485
190 HA TYR 28 HA TYR 28 2.488 0.031 -6.784
191 1HB TYR 28 1HB TYR 28 1.975 -1.450 -9.389
192 2HB TYR 28 2HB TYR 28 1.658 0.262 -9.110
193 HD1 TYR 28 HD1 TYR 28 3.892 1.354 -7.768
194 HD2 TYR 28 HD2 TYR 28 3.862 -1.781 -10.706
195 HE1 TYR 28 HE1 TYR 28 6.243 1.881 -8.354
196 HE2 TYR 28 HE2 TYR 28 6.213 -1.252 -11.292
197 HH TYR 28 HH TYR 28 8.255 0.000 -9.752
198 H GLY 29 H GLY 29 0.954 -0.501 -5.121
199 1HA GLY 29 1HA GLY 29 -1.637 -1.560 -6.174
200 2HA GLY 29 2HA GLY 29 -1.015 -2.085 -4.611
201 H ASN 30 H ASN 30 -3.493 -0.893 -4.700
202 HA ASN 30 HA ASN 30 -3.016 1.887 -3.680
203 1HB ASN 30 1HB ASN 30 -4.787 0.772 -5.606
204 2HB ASN 30 2HB ASN 30 -5.776 1.258 -4.228
205 1HD2 ASN 30 2HD2 ASN 30 -4.336 2.442 -7.057
206 2HD2 ASN 30 1HD2 ASN 30 -4.365 4.096 -6.678
207 H CYS 31 H CYS 31 -4.221 2.509 -1.761
208 HA CYS 31 HA CYS 31 -4.739 0.224 0.084
209 1HB CYS 31 1HB CYS 31 -4.569 3.208 0.617
210 2HB CYS 31 2HB CYS 31 -4.461 1.916 1.809
211 H SER 32 H SER 32 -6.720 0.260 1.402
212 HA SER 32 HA SER 32 -8.862 2.107 1.128
213 1HB SER 32 1HB SER 32 -9.193 1.614 -1.123
214 2HB SER 32 2HB SER 32 -8.616 -0.040 -0.952
215 HG SER 32 HG SER 32 -10.597 -0.636 -0.598
Start of MODEL 7
1 1H CYS 1 1H CYS 1 3.934 5.415 7.151
2 2H CYS 1 2H CYS 1 2.797 5.354 8.389
3 H CYS 1 H CYS 1 3.176 6.138 5.260
4 HA CYS 1 HA CYS 1 2.949 3.122 6.478
5 1HB CYS 1 1HB CYS 1 0.765 2.734 7.307
6 2HB CYS 1 2HB CYS 1 1.656 3.288 8.725
7 H ILE 2 H ILE 2 0.952 3.316 4.903
8 HA ILE 2 HA ILE 2 1.182 5.941 3.489
9 HB ILE 2 HB ILE 2 0.326 3.144 2.678
10 1HG1 ILE 2 1HG1 ILE 2 2.480 4.449 1.195
11 2HG1 ILE 2 2HG1 ILE 2 2.848 4.317 2.915
12 1HG2 ILE 2 1HG2 ILE 2 -1.002 4.831 1.454
13 2HG2 ILE 2 2HG2 ILE 2 0.483 5.653 0.977
14 3HG2 ILE 2 3HG2 ILE 2 0.144 4.028 0.382
15 1HD1 ILE 2 1HD1 ILE 2 1.684 1.929 1.537
16 2HD1 ILE 2 2HD1 ILE 2 3.382 2.315 1.248
17 3HD1 ILE 2 3HD1 ILE 2 2.814 2.004 2.888
18 HA PRO 3 HA PRO 3 -2.991 6.822 4.672
19 1HB PRO 3 1HB PRO 3 -3.620 8.625 2.705
20 2HB PRO 3 2HB PRO 3 -2.589 9.023 4.093
21 1HG PRO 3 1HG PRO 3 -1.824 8.345 1.298
22 2HG PRO 3 2HG PRO 3 -1.127 9.543 2.400
23 1HD PRO 3 1HD PRO 3 0.019 7.124 1.912
24 2HD PRO 3 2HD PRO 3 0.207 7.999 3.448
25 H LYS 4 H LYS 4 -5.054 6.056 4.091
26 HA LYS 4 HA LYS 4 -5.328 3.971 2.202
27 1HB LYS 4 1HB LYS 4 -7.617 4.030 2.830
28 2HB LYS 4 2HB LYS 4 -6.763 4.679 4.225
29 1HG LYS 4 1HG LYS 4 -7.711 6.589 2.116
30 2HG LYS 4 2HG LYS 4 -8.884 5.928 3.250
31 1HD LYS 4 1HD LYS 4 -6.806 6.616 4.921
32 2HD LYS 4 2HD LYS 4 -6.745 7.895 3.709
33 1HE LYS 4 1HE LYS 4 -8.995 8.563 4.148
34 2HE LYS 4 2HE LYS 4 -9.333 7.081 5.061
35 1HZ LYS 4 1HZ LYS 4 -7.705 9.394 5.836
36 2HZ LYS 4 2HZ LYS 4 -8.822 8.529 6.748
37 H TRP 5 H TRP 5 -6.739 3.968 0.239
38 HA TRP 5 HA TRP 5 -7.237 4.720 -1.931
39 1HB TRP 5 1HB TRP 5 -7.724 7.045 -0.103
40 2HB TRP 5 2HB TRP 5 -7.880 7.280 -1.844
41 HD1 TRP 5 HD1 TRP 5 -9.279 5.124 1.002
42 HE1 TRP 5 HE1 TRP 5 -11.612 4.266 0.312
43 HE3 TRP 5 HE3 TRP 5 -9.427 6.803 -3.803
44 HZ2 TRP 5 HZ2 TRP 5 -13.315 4.291 -1.992
45 HZ3 TRP 5 HZ3 TRP 5 -11.409 6.374 -5.231
46 HH2 TRP 5 HH2 TRP 5 -13.350 5.119 -4.333
47 H ASN 6 H ASN 6 -4.368 4.835 -0.970
48 HA ASN 6 HA ASN 6 -3.372 6.791 -3.011
49 1HB ASN 6 1HB ASN 6 -3.049 6.771 -0.146
50 2HB ASN 6 2HB ASN 6 -1.476 6.557 -0.914
51 1HD2 ASN 6 2HD2 ASN 6 -4.410 8.642 -1.121
52 2HD2 ASN 6 1HD2 ASN 6 -3.565 10.033 -1.601
53 H ARG 7 H ARG 7 -1.238 6.200 -3.882
54 HA ARG 7 HA ARG 7 -0.944 3.457 -4.570
55 1HB ARG 7 1HB ARG 7 1.163 4.204 -5.547
56 2HB ARG 7 2HB ARG 7 -0.042 5.472 -5.770
57 1HG ARG 7 1HG ARG 7 1.045 6.108 -3.309
58 2HG ARG 7 2HG ARG 7 2.443 5.508 -4.200
59 1HD ARG 7 1HD ARG 7 2.488 7.337 -5.556
60 2HD ARG 7 2HD ARG 7 0.728 7.306 -5.789
61 1HH1 ARG 7 1HH1 ARG 7 3.555 7.733 -3.027
62 2HH1 ARG 7 2HH1 ARG 7 4.201 9.339 -3.060
63 1HH2 ARG 7 1HH2 ARG 7 1.358 10.741 -4.483
64 2HH2 ARG 7 2HH2 ARG 7 2.955 11.046 -3.885
65 H CYS 8 H CYS 8 0.364 1.799 -3.729
66 HA CYS 8 HA CYS 8 1.957 2.381 -1.263
67 1HB CYS 8 1HB CYS 8 0.875 0.246 -0.336
68 2HB CYS 8 2HB CYS 8 -0.168 1.663 -0.434
69 H GLY 9 H GLY 9 3.784 1.046 -1.038
70 1HA GLY 9 1HA GLY 9 4.113 -1.325 -2.753
71 2HA GLY 9 2HA GLY 9 5.193 0.018 -3.123
72 HA PRO 10 HA PRO 10 6.236 -1.595 1.309
73 1HB PRO 10 1HB PRO 10 5.495 -4.185 1.798
74 2HB PRO 10 2HB PRO 10 4.472 -2.791 2.200
75 1HG PRO 10 1HG PRO 10 4.301 -4.661 -0.106
76 2HG PRO 10 2HG PRO 10 3.006 -3.910 0.839
77 1HD PRO 10 1HD PRO 10 3.786 -3.043 -1.634
78 2HD PRO 10 2HD PRO 10 3.025 -2.001 -0.413
79 H LYS 11 H LYS 11 6.366 -3.501 -1.636
80 HA LYS 11 HA LYS 11 8.693 -5.095 -0.837
81 1HB LYS 11 1HB LYS 11 6.710 -5.165 -2.798
82 2HB LYS 11 2HB LYS 11 8.177 -4.790 -3.701
83 1HG LYS 11 1HG LYS 11 8.294 -7.110 -3.656
84 2HG LYS 11 2HG LYS 11 9.210 -6.713 -2.202
85 1HD LYS 11 1HD LYS 11 6.375 -6.826 -1.610
86 2HD LYS 11 2HD LYS 11 6.910 -8.331 -2.357
87 1HE LYS 11 1HE LYS 11 8.326 -8.859 -0.600
88 2HE LYS 11 2HE LYS 11 8.637 -7.158 -0.204
89 1HZ LYS 11 1HZ LYS 11 6.335 -6.968 0.537
90 2HZ LYS 11 2HZ LYS 11 6.078 -8.599 0.217
91 H MET 12 H MET 12 8.214 -1.891 -2.091
92 HA MET 12 HA MET 12 11.059 -1.754 -3.009
93 1HB MET 12 1HB MET 12 8.491 -0.658 -3.857
94 2HB MET 12 2HB MET 12 9.711 0.603 -3.684
95 1HG MET 12 1HG MET 12 10.206 -1.973 -5.199
96 2HG MET 12 2HG MET 12 9.623 -0.499 -5.972
97 1HE MET 12 1HE MET 12 12.277 -2.593 -5.663
98 2HE MET 12 2HE MET 12 13.775 -1.748 -5.283
99 3HE MET 12 3HE MET 12 12.659 -2.170 -3.987
100 H ASP 13 H ASP 13 8.687 -0.225 -0.815
101 HA ASP 13 HA ASP 13 10.870 1.509 0.277
102 1HB ASP 13 1HB ASP 13 8.404 2.155 -0.603
103 2HB ASP 13 2HB ASP 13 8.015 1.799 1.081
104 H GLY 14 H GLY 14 9.020 -1.316 1.000
105 1HA GLY 14 1HA GLY 14 9.127 -2.715 2.888
106 2HA GLY 14 2HA GLY 14 10.299 -1.602 3.593
107 H VAL 15 H VAL 15 7.334 -0.176 2.496
108 HA VAL 15 HA VAL 15 6.284 -0.178 5.307
109 HB VAL 15 HB VAL 15 6.753 2.098 3.365
110 1HG1 VAL 15 1HG1 VAL 15 4.833 1.888 5.670
111 2HG1 VAL 15 2HG1 VAL 15 5.647 3.423 5.367
112 3HG1 VAL 15 3HG1 VAL 15 4.628 2.704 4.120
113 1HG2 VAL 15 1HG2 VAL 15 8.037 1.068 5.751
114 2HG2 VAL 15 2HG2 VAL 15 8.571 2.361 4.678
115 3HG2 VAL 15 3HG2 VAL 15 7.489 2.723 6.023
116 HA PRO 16 HA PRO 16 2.723 -1.400 2.812
117 1HB PRO 16 1HB PRO 16 1.299 -2.421 4.905
118 2HB PRO 16 2HB PRO 16 2.615 -3.320 4.124
119 1HG PRO 16 1HG PRO 16 2.605 -1.822 6.689
120 2HG PRO 16 2HG PRO 16 3.433 -3.326 6.265
121 1HD PRO 16 1HD PRO 16 4.644 -0.861 6.388
122 2HD PRO 16 2HD PRO 16 5.249 -2.235 5.437
123 H CYS 17 H CYS 17 0.224 -0.931 3.314
124 HA CYS 17 HA CYS 17 -0.071 1.900 3.871
125 1HB CYS 17 1HB CYS 17 -1.666 -0.398 2.988
126 2HB CYS 17 2HB CYS 17 -2.587 0.713 4.002
127 H CYS 18 H CYS 18 -1.604 2.693 5.654
128 HA CYS 18 HA CYS 18 -0.668 1.939 8.227
129 1HB CYS 18 1HB CYS 18 -2.525 3.757 7.039
130 2HB CYS 18 2HB CYS 18 -3.316 2.995 8.419
131 H GLU 19 H GLU 19 -1.995 0.978 10.020
132 HA GLU 19 HA GLU 19 -2.687 -1.688 9.620
133 1HB GLU 19 1HB GLU 19 -3.382 0.396 11.660
134 2HB GLU 19 2HB GLU 19 -4.091 -1.213 11.800
135 1HG GLU 19 1HG GLU 19 -2.018 -2.246 12.112
136 2HG GLU 19 2HG GLU 19 -1.134 -0.929 11.344
137 HA PRO 20 HA PRO 20 -7.356 -0.614 9.327
138 1HB PRO 20 1HB PRO 20 -8.010 1.958 8.632
139 2HB PRO 20 2HB PRO 20 -7.880 1.404 10.314
140 1HG PRO 20 1HG PRO 20 -5.893 2.889 8.656
141 2HG PRO 20 2HG PRO 20 -6.354 3.133 10.349
142 1HD PRO 20 1HD PRO 20 -4.095 1.847 9.650
143 2HD PRO 20 2HD PRO 20 -5.024 1.409 11.101
144 H TYR 21 H TYR 21 -4.822 0.027 7.212
145 HA TYR 21 HA TYR 21 -6.640 -0.235 4.837
146 1HB TYR 21 1HB TYR 21 -4.114 1.447 5.021
147 2HB TYR 21 2HB TYR 21 -5.235 1.376 3.663
148 HD1 TYR 21 HD1 TYR 21 -7.849 1.656 4.611
149 HD2 TYR 21 HD2 TYR 21 -4.290 3.415 6.253
150 HE1 TYR 21 HE1 TYR 21 -9.214 3.447 5.648
151 HE2 TYR 21 HE2 TYR 21 -5.655 5.207 7.290
152 HH TYR 21 HH TYR 21 -8.819 5.047 7.806
153 H THR 22 H THR 22 -5.438 -1.148 2.920
154 HA THR 22 HA THR 22 -2.951 -2.651 3.564
155 HB THR 22 HB THR 22 -4.301 -4.647 2.407
156 HG1 THR 22 HG1 THR 22 -6.357 -3.458 3.914
157 1HG2 THR 22 1HG2 THR 22 -3.220 -4.658 4.647
158 2HG2 THR 22 2HG2 THR 22 -4.668 -3.908 5.322
159 3HG2 THR 22 3HG2 THR 22 -4.754 -5.529 4.634
160 H CYS 23 H CYS 23 -1.859 -3.397 1.626
161 HA CYS 23 HA CYS 23 -2.571 -1.791 -0.778
162 1HB CYS 23 1HB CYS 23 -0.288 -1.811 0.358
163 2HB CYS 23 2HB CYS 23 -0.107 -3.465 -0.231
164 H THR 24 H THR 24 -3.474 -2.753 -2.541
165 HA THR 24 HA THR 24 -4.299 -5.484 -2.617
166 HB THR 24 HB THR 24 -4.632 -4.894 -5.097
167 HG1 THR 24 HG1 THR 24 -3.449 -3.286 -5.705
168 1HG2 THR 24 1HG2 THR 24 -5.731 -3.274 -2.810
169 2HG2 THR 24 2HG2 THR 24 -6.270 -2.986 -4.464
170 3HG2 THR 24 3HG2 THR 24 -6.510 -4.567 -3.722
171 H SER 25 H SER 25 -1.529 -3.858 -4.165
172 HA SER 25 HA SER 25 -0.414 -6.553 -4.869
173 1HB SER 25 1HB SER 25 -1.017 -4.447 -6.485
174 2HB SER 25 2HB SER 25 0.652 -4.061 -6.084
175 HG SER 25 HG SER 25 -0.370 -6.046 -7.661
176 H ASP 26 H ASP 26 2.169 -6.206 -5.113
177 HA ASP 26 HA ASP 26 3.098 -5.092 -2.490
178 1HB ASP 26 1HB ASP 26 4.804 -6.790 -2.609
179 2HB ASP 26 2HB ASP 26 3.283 -7.564 -3.041
180 H TYR 27 H TYR 27 3.693 -5.063 -5.986
181 HA TYR 27 HA TYR 27 6.048 -3.292 -5.682
182 1HB TYR 27 1HB TYR 27 4.705 -4.895 -7.816
183 2HB TYR 27 2HB TYR 27 5.637 -3.493 -8.337
184 HD1 TYR 27 HD1 TYR 27 7.929 -3.315 -6.686
185 HD2 TYR 27 HD2 TYR 27 5.919 -6.867 -8.032
186 HE1 TYR 27 HE1 TYR 27 10.029 -4.606 -6.420
187 HE2 TYR 27 HE2 TYR 27 8.020 -8.155 -7.768
188 HH TYR 27 HH TYR 27 10.387 -7.475 -6.018
189 H TYR 28 H TYR 28 2.835 -3.210 -7.236
190 HA TYR 28 HA TYR 28 2.686 -0.289 -6.717
191 1HB TYR 28 1HB TYR 28 2.322 0.231 -9.039
192 2HB TYR 28 2HB TYR 28 3.764 -0.778 -8.974
193 HD1 TYR 28 HD1 TYR 28 3.487 -3.306 -9.390
194 HD2 TYR 28 HD2 TYR 28 0.445 -0.419 -10.325
195 HE1 TYR 28 HE1 TYR 28 2.407 -4.937 -10.910
196 HE2 TYR 28 HE2 TYR 28 -0.636 -2.054 -11.847
197 HH TYR 28 HH TYR 28 -0.418 -5.022 -11.801
198 H GLY 29 H GLY 29 0.649 0.213 -6.022
199 1HA GLY 29 1HA GLY 29 -1.773 -0.830 -7.119
200 2HA GLY 29 2HA GLY 29 -1.386 -1.734 -5.655
201 H ASN 30 H ASN 30 -3.477 -0.688 -4.911
202 HA ASN 30 HA ASN 30 -2.850 1.906 -3.566
203 1HB ASN 30 1HB ASN 30 -4.692 1.411 -5.767
204 2HB ASN 30 2HB ASN 30 -5.542 2.055 -4.361
205 1HD2 ASN 30 2HD2 ASN 30 -5.379 4.291 -4.021
206 2HD2 ASN 30 1HD2 ASN 30 -4.264 5.303 -4.806
207 H CYS 31 H CYS 31 -4.330 2.327 -1.729
208 HA CYS 31 HA CYS 31 -5.397 -0.214 -0.550
209 1HB CYS 31 1HB CYS 31 -4.547 2.411 0.722
210 2HB CYS 31 2HB CYS 31 -5.003 0.945 1.591
211 H SER 32 H SER 32 -7.440 -0.021 0.681
212 HA SER 32 HA SER 32 -9.083 2.381 0.495
213 1HB SER 32 1HB SER 32 -10.754 1.197 -1.068
214 2HB SER 32 2HB SER 32 -9.269 1.783 -1.807
215 HG SER 32 HG SER 32 -10.215 -0.730 -1.623
Start of MODEL 8
1 1H CYS 1 1H CYS 1 3.269 5.704 7.601
2 2H CYS 1 2H CYS 1 2.384 5.020 8.857
3 H CYS 1 H CYS 1 2.839 6.108 5.218
4 HA CYS 1 HA CYS 1 2.934 3.167 6.729
5 1HB CYS 1 1HB CYS 1 0.542 2.715 7.184
6 2HB CYS 1 2HB CYS 1 1.514 2.715 8.653
7 H ILE 2 H ILE 2 0.919 3.173 5.065
8 HA ILE 2 HA ILE 2 1.129 5.764 3.607
9 HB ILE 2 HB ILE 2 0.808 2.882 2.983
10 1HG1 ILE 2 1HG1 ILE 2 1.994 3.962 0.844
11 2HG1 ILE 2 2HG1 ILE 2 2.271 5.287 1.974
12 1HG2 ILE 2 1HG2 ILE 2 -0.619 5.049 1.436
13 2HG2 ILE 2 2HG2 ILE 2 -0.112 3.541 0.672
14 3HG2 ILE 2 3HG2 ILE 2 -1.264 3.513 2.008
15 1HD1 ILE 2 1HD1 ILE 2 2.868 2.476 2.841
16 2HD1 ILE 2 2HD1 ILE 2 4.021 3.325 1.809
17 3HD1 ILE 2 3HD1 ILE 2 3.593 3.989 3.386
18 HA PRO 3 HA PRO 3 -3.068 6.752 4.578
19 1HB PRO 3 1HB PRO 3 -3.543 8.507 2.526
20 2HB PRO 3 2HB PRO 3 -2.562 8.921 3.945
21 1HG PRO 3 1HG PRO 3 -1.690 8.100 1.220
22 2HG PRO 3 2HG PRO 3 -1.018 9.339 2.292
23 1HD PRO 3 1HD PRO 3 0.103 6.888 1.983
24 2HD PRO 3 2HD PRO 3 0.210 7.817 3.495
25 H LYS 4 H LYS 4 -5.145 6.081 3.873
26 HA LYS 4 HA LYS 4 -5.346 3.929 2.023
27 1HB LYS 4 1HB LYS 4 -7.667 4.033 2.550
28 2HB LYS 4 2HB LYS 4 -6.851 4.649 3.986
29 1HG LYS 4 1HG LYS 4 -7.214 6.898 2.339
30 2HG LYS 4 2HG LYS 4 -8.726 6.000 2.226
31 1HD LYS 4 1HD LYS 4 -9.303 6.511 4.350
32 2HD LYS 4 2HD LYS 4 -7.698 6.112 4.962
33 1HE LYS 4 1HE LYS 4 -7.870 8.439 5.375
34 2HE LYS 4 2HE LYS 4 -6.980 8.375 3.841
35 1HZ LYS 4 1HZ LYS 4 -8.651 9.512 2.948
36 2HZ LYS 4 2HZ LYS 4 -9.640 8.172 3.178
37 H TRP 5 H TRP 5 -6.563 3.892 -0.018
38 HA TRP 5 HA TRP 5 -6.920 4.603 -2.225
39 1HB TRP 5 1HB TRP 5 -7.779 6.870 -0.451
40 2HB TRP 5 2HB TRP 5 -7.908 7.023 -2.206
41 HD1 TRP 5 HD1 TRP 5 -9.072 4.764 0.667
42 HE1 TRP 5 HE1 TRP 5 -11.233 3.555 -0.058
43 HE3 TRP 5 HE3 TRP 5 -9.341 6.315 -4.175
44 HZ2 TRP 5 HZ2 TRP 5 -12.855 3.282 -2.401
45 HZ3 TRP 5 HZ3 TRP 5 -11.197 5.565 -5.640
46 HH2 TRP 5 HH2 TRP 5 -12.951 4.050 -4.758
47 H ASN 6 H ASN 6 -4.157 4.884 -1.271
48 HA ASN 6 HA ASN 6 -3.273 7.062 -3.118
49 1HB ASN 6 1HB ASN 6 -3.009 8.101 -1.032
50 2HB ASN 6 2HB ASN 6 -2.665 6.583 -0.212
51 1HD2 ASN 6 2HD2 ASN 6 -0.487 5.782 -0.255
52 2HD2 ASN 6 1HD2 ASN 6 0.811 6.722 -0.808
53 H ARG 7 H ARG 7 -1.009 6.662 -3.887
54 HA ARG 7 HA ARG 7 -0.523 4.103 -4.895
55 1HB ARG 7 1HB ARG 7 1.733 4.945 -5.333
56 2HB ARG 7 2HB ARG 7 0.568 6.247 -5.559
57 1HG ARG 7 1HG ARG 7 1.059 6.831 -3.075
58 2HG ARG 7 2HG ARG 7 2.492 5.821 -3.277
59 1HD ARG 7 1HD ARG 7 2.700 7.335 -5.516
60 2HD ARG 7 2HD ARG 7 1.890 8.491 -4.440
61 1HH1 ARG 7 1HH2 ARG 7 4.848 9.279 -5.369
62 2HH1 ARG 7 2HH2 ARG 7 5.111 10.597 -4.276
63 1HH2 ARG 7 1HH1 ARG 7 3.674 8.976 -1.559
64 2HH2 ARG 7 2HH1 ARG 7 4.444 10.425 -2.114
65 H CYS 8 H CYS 8 0.427 2.233 -4.132
66 HA CYS 8 HA CYS 8 1.558 2.273 -1.348
67 1HB CYS 8 1HB CYS 8 -0.726 1.322 -1.521
68 2HB CYS 8 2HB CYS 8 -0.150 0.174 -2.728
69 H GLY 9 H GLY 9 3.205 0.629 -0.955
70 1HA GLY 9 1HA GLY 9 4.194 -1.168 -2.939
71 2HA GLY 9 2HA GLY 9 5.129 0.325 -3.022
72 HA PRO 10 HA PRO 10 5.847 -1.494 1.376
73 1HB PRO 10 1HB PRO 10 5.083 -4.099 1.752
74 2HB PRO 10 2HB PRO 10 4.031 -2.717 2.113
75 1HG PRO 10 1HG PRO 10 4.040 -4.520 -0.255
76 2HG PRO 10 2HG PRO 10 2.673 -3.817 0.623
77 1HD PRO 10 1HD PRO 10 3.581 -2.849 -1.754
78 2HD PRO 10 2HD PRO 10 2.775 -1.843 -0.531
79 H LYS 11 H LYS 11 6.046 -3.649 -1.445
80 HA LYS 11 HA LYS 11 8.495 -4.975 -0.532
81 1HB LYS 11 1HB LYS 11 6.832 -4.877 -3.048
82 2HB LYS 11 2HB LYS 11 8.384 -5.715 -3.026
83 1HG LYS 11 1HG LYS 11 7.331 -6.742 -0.777
84 2HG LYS 11 2HG LYS 11 5.837 -6.409 -1.652
85 1HD LYS 11 1HD LYS 11 6.332 -7.909 -3.351
86 2HD LYS 11 2HD LYS 11 8.074 -7.766 -3.110
87 1HE LYS 11 1HE LYS 11 7.922 -9.737 -1.977
88 2HE LYS 11 2HE LYS 11 7.158 -8.799 -0.680
89 1HZ LYS 11 1HZ LYS 11 5.353 -9.311 -2.815
90 2HZ LYS 11 2HZ LYS 11 5.955 -10.749 -2.184
91 H MET 12 H MET 12 7.796 -1.936 -1.975
92 HA MET 12 HA MET 12 10.488 -1.730 -3.244
93 1HB MET 12 1HB MET 12 7.813 -0.716 -3.716
94 2HB MET 12 2HB MET 12 8.962 0.620 -3.614
95 1HG MET 12 1HG MET 12 9.881 -1.719 -5.181
96 2HG MET 12 2HG MET 12 8.530 -0.826 -5.881
97 1HE MET 12 1HE MET 12 8.825 0.585 -7.449
98 2HE MET 12 2HE MET 12 10.196 1.612 -7.856
99 3HE MET 12 3HE MET 12 10.329 -0.135 -8.041
100 H ASP 13 H ASP 13 8.482 -0.298 -0.663
101 HA ASP 13 HA ASP 13 10.830 1.392 0.141
102 1HB ASP 13 1HB ASP 13 7.985 1.837 -0.202
103 2HB ASP 13 2HB ASP 13 8.476 2.238 1.444
104 H GLY 14 H GLY 14 8.626 -1.131 1.181
105 1HA GLY 14 1HA GLY 14 9.057 -2.600 3.029
106 2HA GLY 14 2HA GLY 14 10.158 -1.397 3.702
107 H VAL 15 H VAL 15 7.193 -0.054 2.614
108 HA VAL 15 HA VAL 15 6.013 -0.203 5.365
109 HB VAL 15 HB VAL 15 6.429 2.236 3.597
110 1HG1 VAL 15 1HG1 VAL 15 4.490 1.714 5.649
111 2HG1 VAL 15 2HG1 VAL 15 5.635 2.913 6.248
112 3HG1 VAL 15 3HG1 VAL 15 4.757 3.207 4.749
113 1HG2 VAL 15 1HG2 VAL 15 7.625 1.406 6.263
114 2HG2 VAL 15 2HG2 VAL 15 8.483 1.558 4.729
115 3HG2 VAL 15 3HG2 VAL 15 7.840 2.994 5.526
116 HA PRO 16 HA PRO 16 2.662 -1.232 2.500
117 1HB PRO 16 1HB PRO 16 1.107 -2.474 4.373
118 2HB PRO 16 2HB PRO 16 2.488 -3.271 3.593
119 1HG PRO 16 1HG PRO 16 2.278 -2.063 6.298
120 2HG PRO 16 2HG PRO 16 3.169 -3.496 5.767
121 1HD PRO 16 1HD PRO 16 4.302 -1.034 6.242
122 2HD PRO 16 2HD PRO 16 5.010 -2.287 5.202
123 H CYS 17 H CYS 17 0.050 -1.051 3.135
124 HA CYS 17 HA CYS 17 -0.460 1.765 3.561
125 1HB CYS 17 1HB CYS 17 -2.370 -0.591 3.761
126 2HB CYS 17 2HB CYS 17 -2.791 1.077 3.377
127 H CYS 18 H CYS 18 -1.815 2.612 5.406
128 HA CYS 18 HA CYS 18 -0.723 2.061 7.961
129 1HB CYS 18 1HB CYS 18 -3.384 3.220 7.106
130 2HB CYS 18 2HB CYS 18 -2.783 3.289 8.760
131 H GLU 19 H GLU 19 -1.848 1.120 9.869
132 HA GLU 19 HA GLU 19 -2.466 -1.591 9.611
133 1HB GLU 19 1HB GLU 19 -1.916 -0.066 11.645
134 2HB GLU 19 2HB GLU 19 -3.664 0.139 11.766
135 1HG GLU 19 1HG GLU 19 -3.329 -2.613 11.424
136 2HG GLU 19 2HG GLU 19 -2.018 -2.153 12.511
137 HA PRO 20 HA PRO 20 -7.167 -0.612 9.737
138 1HB PRO 20 1HB PRO 20 -7.950 1.871 8.880
139 2HB PRO 20 2HB PRO 20 -7.641 1.477 10.583
140 1HG PRO 20 1HG PRO 20 -5.886 2.859 8.612
141 2HG PRO 20 2HG PRO 20 -6.156 3.215 10.325
142 1HD PRO 20 1HD PRO 20 -3.962 1.916 9.423
143 2HD PRO 20 2HD PRO 20 -4.662 1.620 11.029
144 H TYR 21 H TYR 21 -4.883 -0.148 7.315
145 HA TYR 21 HA TYR 21 -6.928 -0.710 5.191
146 1HB TYR 21 1HB TYR 21 -4.520 1.134 4.965
147 2HB TYR 21 2HB TYR 21 -5.706 0.815 3.699
148 HD1 TYR 21 HD1 TYR 21 -8.267 1.120 4.590
149 HD2 TYR 21 HD2 TYR 21 -4.796 3.106 6.151
150 HE1 TYR 21 HE1 TYR 21 -9.708 2.916 5.509
151 HE2 TYR 21 HE2 TYR 21 -6.234 4.903 7.070
152 HH TYR 21 HH TYR 21 -9.452 5.326 6.170
153 H THR 22 H THR 22 -5.706 -1.567 3.150
154 HA THR 22 HA THR 22 -3.271 -3.138 3.895
155 HB THR 22 HB THR 22 -4.476 -5.067 2.646
156 HG1 THR 22 HG1 THR 22 -6.799 -3.710 3.478
157 1HG2 THR 22 1HG2 THR 22 -5.475 -4.109 5.343
158 2HG2 THR 22 2HG2 THR 22 -5.662 -5.749 4.718
159 3HG2 THR 22 3HG2 THR 22 -4.052 -5.110 5.054
160 H CYS 23 H CYS 23 -2.030 -3.830 2.028
161 HA CYS 23 HA CYS 23 -2.335 -2.028 -0.304
162 1HB CYS 23 1HB CYS 23 -0.197 -2.598 1.069
163 2HB CYS 23 2HB CYS 23 -0.189 -4.103 0.151
164 H THR 24 H THR 24 -3.397 -2.730 -2.107
165 HA THR 24 HA THR 24 -4.399 -5.405 -2.434
166 HB THR 24 HB THR 24 -4.940 -4.517 -4.746
167 HG1 THR 24 HG1 THR 24 -3.555 -3.041 -5.326
168 1HG2 THR 24 1HG2 THR 24 -5.865 -3.645 -2.190
169 2HG2 THR 24 2HG2 THR 24 -5.875 -2.255 -3.274
170 3HG2 THR 24 3HG2 THR 24 -6.761 -3.717 -3.707
171 H SER 25 H SER 25 -1.559 -3.730 -3.760
172 HA SER 25 HA SER 25 -0.628 -6.346 -4.909
173 1HB SER 25 1HB SER 25 0.025 -3.514 -5.787
174 2HB SER 25 2HB SER 25 0.476 -4.998 -6.619
175 HG SER 25 HG SER 25 -1.599 -5.320 -7.192
176 H ASP 26 H ASP 26 2.034 -5.467 -5.407
177 HA ASP 26 HA ASP 26 3.070 -4.949 -2.635
178 1HB ASP 26 1HB ASP 26 3.713 -7.006 -4.730
179 2HB ASP 26 2HB ASP 26 4.973 -6.507 -3.599
180 H TYR 27 H TYR 27 3.884 -4.831 -6.127
181 HA TYR 27 HA TYR 27 5.891 -2.698 -5.542
182 1HB TYR 27 1HB TYR 27 5.387 -4.671 -7.762
183 2HB TYR 27 2HB TYR 27 6.401 -3.256 -8.051
184 HD1 TYR 27 HD1 TYR 27 8.286 -2.799 -6.294
185 HD2 TYR 27 HD2 TYR 27 6.336 -6.594 -6.799
186 HE1 TYR 27 HE1 TYR 27 10.190 -3.926 -5.176
187 HE2 TYR 27 HE2 TYR 27 8.241 -7.721 -5.681
188 HH TYR 27 HH TYR 27 11.126 -6.570 -5.352
189 H TYR 28 H TYR 28 2.896 -3.349 -7.305
190 HA TYR 28 HA TYR 28 2.627 -0.420 -7.823
191 1HB TYR 28 1HB TYR 28 3.548 -1.820 -9.783
192 2HB TYR 28 2HB TYR 28 1.947 -2.556 -9.858
193 HD1 TYR 28 HD1 TYR 28 3.530 0.846 -9.646
194 HD2 TYR 28 HD2 TYR 28 0.340 -1.560 -11.226
195 HE1 TYR 28 HE1 TYR 28 2.695 2.796 -10.930
196 HE2 TYR 28 HE2 TYR 28 -0.494 0.390 -12.511
197 HH TYR 28 HH TYR 28 -0.134 3.207 -12.016
198 H GLY 29 H GLY 29 1.062 -0.466 -6.062
199 1HA GLY 29 1HA GLY 29 -1.615 -1.339 -6.950
200 2HA GLY 29 2HA GLY 29 -1.029 -2.066 -5.454
201 H ASN 30 H ASN 30 -2.993 -0.908 -4.585
202 HA ASN 30 HA ASN 30 -2.181 1.773 -3.576
203 1HB ASN 30 1HB ASN 30 -4.343 2.720 -4.253
204 2HB ASN 30 2HB ASN 30 -3.524 2.055 -5.665
205 1HD2 ASN 30 2HD2 ASN 30 -6.320 1.698 -3.561
206 2HD2 ASN 30 1HD2 ASN 30 -7.051 0.438 -4.431
207 H CYS 31 H CYS 31 -3.743 2.470 -1.784
208 HA CYS 31 HA CYS 31 -4.510 0.078 -0.162
209 1HB CYS 31 1HB CYS 31 -4.177 2.984 0.647
210 2HB CYS 31 2HB CYS 31 -4.246 1.588 1.722
211 H SER 32 H SER 32 -6.529 0.364 1.193
212 HA SER 32 HA SER 32 -8.521 2.351 0.473
213 1HB SER 32 1HB SER 32 -10.029 0.695 -0.696
214 2HB SER 32 2HB SER 32 -8.563 1.075 -1.593
215 HG SER 32 HG SER 32 -9.410 -1.287 -0.551
Start of MODEL 9
1 1H CYS 1 1H CYS 1 3.751 5.318 7.332
2 2H CYS 1 2H CYS 1 2.602 5.140 8.547
3 H CYS 1 H CYS 1 3.285 5.921 5.700
4 HA CYS 1 HA CYS 1 2.853 2.961 6.609
5 1HB CYS 1 1HB CYS 1 0.608 2.620 7.281
6 2HB CYS 1 2HB CYS 1 1.411 3.160 8.755
7 H ILE 2 H ILE 2 0.878 3.192 4.953
8 HA ILE 2 HA ILE 2 1.287 5.780 3.510
9 HB ILE 2 HB ILE 2 0.637 2.937 2.767
10 1HG1 ILE 2 1HG1 ILE 2 2.353 3.995 0.903
11 2HG1 ILE 2 2HG1 ILE 2 2.786 4.910 2.348
12 1HG2 ILE 2 1HG2 ILE 2 0.125 5.381 1.044
13 2HG2 ILE 2 2HG2 ILE 2 0.144 3.722 0.448
14 3HG2 ILE 2 3HG2 ILE 2 -1.082 4.227 1.610
15 1HD1 ILE 2 1HD1 ILE 2 3.063 2.803 3.603
16 2HD1 ILE 2 2HD1 ILE 2 2.635 1.888 2.158
17 3HD1 ILE 2 3HD1 ILE 2 4.119 2.841 2.191
18 HA PRO 3 HA PRO 3 -2.887 6.853 4.506
19 1HB PRO 3 1HB PRO 3 -3.309 8.704 2.528
20 2HB PRO 3 2HB PRO 3 -2.327 9.032 3.969
21 1HG PRO 3 1HG PRO 3 -1.458 8.312 1.212
22 2HG PRO 3 2HG PRO 3 -0.760 9.481 2.345
23 1HD PRO 3 1HD PRO 3 0.296 7.017 1.930
24 2HD PRO 3 2HD PRO 3 0.422 7.874 3.482
25 H LYS 4 H LYS 4 -4.921 6.107 3.851
26 HA LYS 4 HA LYS 4 -5.171 4.135 1.824
27 1HB LYS 4 1HB LYS 4 -7.520 4.234 2.370
28 2HB LYS 4 2HB LYS 4 -6.634 4.575 3.853
29 1HG LYS 4 1HG LYS 4 -7.079 7.038 2.413
30 2HG LYS 4 2HG LYS 4 -8.610 6.189 2.619
31 1HD LYS 4 1HD LYS 4 -8.155 5.969 5.040
32 2HD LYS 4 2HD LYS 4 -6.637 6.841 4.830
33 1HE LYS 4 1HE LYS 4 -9.081 8.174 3.755
34 2HE LYS 4 2HE LYS 4 -8.919 8.107 5.520
35 1HZ LYS 4 1HZ LYS 4 -6.451 8.691 4.201
36 2HZ LYS 4 2HZ LYS 4 -7.623 9.854 3.882
37 H TRP 5 H TRP 5 -6.512 4.269 -0.167
38 HA TRP 5 HA TRP 5 -7.016 5.188 -2.267
39 1HB TRP 5 1HB TRP 5 -7.543 7.352 -0.263
40 2HB TRP 5 2HB TRP 5 -7.695 7.722 -1.983
41 HD1 TRP 5 HD1 TRP 5 -9.064 5.311 0.671
42 HE1 TRP 5 HE1 TRP 5 -11.369 4.458 -0.114
43 HE3 TRP 5 HE3 TRP 5 -9.217 7.393 -3.972
44 HZ2 TRP 5 HZ2 TRP 5 -13.050 4.637 -2.424
45 HZ3 TRP 5 HZ3 TRP 5 -11.175 7.038 -5.452
46 HH2 TRP 5 HH2 TRP 5 -13.087 5.658 -4.681
47 H ASN 6 H ASN 6 -4.169 5.211 -1.358
48 HA ASN 6 HA ASN 6 -3.188 7.364 -3.195
49 1HB ASN 6 1HB ASN 6 -2.797 7.002 -0.335
50 2HB ASN 6 2HB ASN 6 -1.253 6.974 -1.183
51 1HD2 ASN 6 2HD2 ASN 6 -4.205 8.951 -0.717
52 2HD2 ASN 6 1HD2 ASN 6 -3.479 10.421 -1.152
53 H ARG 7 H ARG 7 -0.510 6.755 -3.166
54 HA ARG 7 HA ARG 7 -0.415 4.218 -4.631
55 1HB ARG 7 1HB ARG 7 1.595 6.352 -3.851
56 2HB ARG 7 2HB ARG 7 2.031 4.939 -4.810
57 1HG ARG 7 1HG ARG 7 -0.333 6.560 -5.675
58 2HG ARG 7 2HG ARG 7 1.279 7.205 -5.983
59 1HD ARG 7 1HD ARG 7 0.751 4.338 -6.702
60 2HD ARG 7 2HD ARG 7 0.123 5.611 -7.768
61 1HH1 ARG 7 1HH1 ARG 7 3.294 3.400 -7.263
62 2HH1 ARG 7 2HH1 ARG 7 3.616 3.140 -8.944
63 1HH2 ARG 7 1HH2 ARG 7 2.238 6.163 -9.953
64 2HH2 ARG 7 2HH2 ARG 7 3.015 4.705 -10.471
65 H CYS 8 H CYS 8 0.156 2.265 -3.752
66 HA CYS 8 HA CYS 8 1.472 2.250 -1.051
67 1HB CYS 8 1HB CYS 8 -0.900 1.566 -1.046
68 2HB CYS 8 2HB CYS 8 -0.559 0.354 -2.280
69 H GLY 9 H GLY 9 2.938 0.427 -0.687
70 1HA GLY 9 1HA GLY 9 3.630 -1.603 -2.487
71 2HA GLY 9 2HA GLY 9 4.582 -0.203 -2.981
72 HA PRO 10 HA PRO 10 5.917 -1.409 1.498
73 1HB PRO 10 1HB PRO 10 5.350 -3.986 2.229
74 2HB PRO 10 2HB PRO 10 4.273 -2.619 2.574
75 1HG PRO 10 1HG PRO 10 4.098 -4.668 0.424
76 2HG PRO 10 2HG PRO 10 2.809 -3.925 1.384
77 1HD PRO 10 1HD PRO 10 3.392 -3.197 -1.180
78 2HD PRO 10 2HD PRO 10 2.661 -2.100 0.012
79 H LYS 11 H LYS 11 5.997 -3.603 -1.245
80 HA LYS 11 HA LYS 11 8.502 -4.913 -0.449
81 1HB LYS 11 1HB LYS 11 6.684 -5.964 -1.803
82 2HB LYS 11 2HB LYS 11 7.009 -4.806 -3.092
83 1HG LYS 11 1HG LYS 11 8.229 -6.744 -3.712
84 2HG LYS 11 2HG LYS 11 9.437 -5.665 -3.018
85 1HD LYS 11 1HD LYS 11 9.759 -6.987 -1.179
86 2HD LYS 11 2HD LYS 11 8.066 -7.476 -1.105
87 1HE LYS 11 1HE LYS 11 9.590 -8.454 -3.471
88 2HE LYS 11 2HE LYS 11 10.023 -9.169 -1.906
89 1HZ LYS 11 1HZ LYS 11 7.233 -8.859 -2.067
90 2HZ LYS 11 2HZ LYS 11 7.759 -9.700 -3.425
91 H MET 12 H MET 12 7.563 -2.048 -2.244
92 HA MET 12 HA MET 12 10.211 -1.758 -3.536
93 1HB MET 12 1HB MET 12 7.968 -1.248 -4.599
94 2HB MET 12 2HB MET 12 7.822 0.106 -3.480
95 1HG MET 12 1HG MET 12 9.981 1.010 -4.352
96 2HG MET 12 2HG MET 12 10.010 -0.295 -5.538
97 1HE MET 12 1HE MET 12 9.574 0.292 -7.782
98 2HE MET 12 2HE MET 12 8.879 1.828 -8.293
99 3HE MET 12 3HE MET 12 10.294 1.815 -7.243
100 H ASP 13 H ASP 13 8.396 -0.368 -0.798
101 HA ASP 13 HA ASP 13 10.738 1.441 -0.269
102 1HB ASP 13 1HB ASP 13 7.805 1.677 0.476
103 2HB ASP 13 2HB ASP 13 9.051 2.853 0.889
104 H GLY 14 H GLY 14 8.623 -1.035 1.075
105 1HA GLY 14 1HA GLY 14 9.381 -2.452 2.899
106 2HA GLY 14 2HA GLY 14 10.355 -1.110 3.494
107 H VAL 15 H VAL 15 7.434 0.221 2.600
108 HA VAL 15 HA VAL 15 6.302 -0.153 5.359
109 HB VAL 15 HB VAL 15 6.406 2.294 3.559
110 1HG1 VAL 15 1HG1 VAL 15 4.347 1.781 5.206
111 2HG1 VAL 15 2HG1 VAL 15 5.478 2.419 6.396
112 3HG1 VAL 15 3HG1 VAL 15 5.001 3.407 5.015
113 1HG2 VAL 15 1HG2 VAL 15 8.518 1.635 4.788
114 2HG2 VAL 15 2HG2 VAL 15 7.882 3.214 5.246
115 3HG2 VAL 15 3HG2 VAL 15 7.628 1.822 6.298
116 HA PRO 16 HA PRO 16 2.830 -1.457 2.828
117 1HB PRO 16 1HB PRO 16 1.385 -2.519 4.883
118 2HB PRO 16 2HB PRO 16 2.769 -3.360 4.159
119 1HG PRO 16 1HG PRO 16 2.578 -1.892 6.724
120 2HG PRO 16 2HG PRO 16 3.556 -3.303 6.300
121 1HD PRO 16 1HD PRO 16 4.477 -0.686 6.475
122 2HD PRO 16 2HD PRO 16 5.307 -2.022 5.648
123 H CYS 17 H CYS 17 0.307 -1.106 3.182
124 HA CYS 17 HA CYS 17 -0.221 1.689 3.637
125 1HB CYS 17 1HB CYS 17 -1.475 -0.147 2.262
126 2HB CYS 17 2HB CYS 17 -2.268 -0.523 3.793
127 H CYS 18 H CYS 18 -1.703 2.514 5.403
128 HA CYS 18 HA CYS 18 -0.755 1.928 8.002
129 1HB CYS 18 1HB CYS 18 -2.622 3.637 6.744
130 2HB CYS 18 2HB CYS 18 -3.487 2.850 8.067
131 H GLU 19 H GLU 19 -1.769 0.840 9.800
132 HA GLU 19 HA GLU 19 -2.511 -1.826 9.408
133 1HB GLU 19 1HB GLU 19 -2.652 0.185 11.582
134 2HB GLU 19 2HB GLU 19 -3.632 -1.264 11.809
135 1HG GLU 19 1HG GLU 19 -1.806 -2.637 11.989
136 2HG GLU 19 2HG GLU 19 -0.860 -1.702 10.833
137 HA PRO 20 HA PRO 20 -7.162 -0.644 9.864
138 1HB PRO 20 1HB PRO 20 -7.863 1.884 9.057
139 2HB PRO 20 2HB PRO 20 -7.497 1.457 10.741
140 1HG PRO 20 1HG PRO 20 -5.748 2.749 8.699
141 2HG PRO 20 2HG PRO 20 -5.947 3.133 10.417
142 1HD PRO 20 1HD PRO 20 -3.846 1.729 9.496
143 2HD PRO 20 2HD PRO 20 -4.553 1.428 11.097
144 H TYR 21 H TYR 21 -4.976 -0.232 7.337
145 HA TYR 21 HA TYR 21 -7.115 -0.772 5.314
146 1HB TYR 21 1HB TYR 21 -4.738 1.100 5.009
147 2HB TYR 21 2HB TYR 21 -5.943 0.758 3.771
148 HD1 TYR 21 HD1 TYR 21 -8.447 1.212 4.435
149 HD2 TYR 21 HD2 TYR 21 -5.058 2.887 6.471
150 HE1 TYR 21 HE1 TYR 21 -9.891 2.999 5.372
151 HE2 TYR 21 HE2 TYR 21 -6.498 4.671 7.407
152 HH TYR 21 HH TYR 21 -8.900 5.024 7.912
153 H THR 22 H THR 22 -6.044 -1.712 3.256
154 HA THR 22 HA THR 22 -3.578 -3.280 3.946
155 HB THR 22 HB THR 22 -4.794 -5.135 2.612
156 HG1 THR 22 HG1 THR 22 -6.523 -4.190 1.760
157 1HG2 THR 22 1HG2 THR 22 -5.525 -4.163 5.362
158 2HG2 THR 22 2HG2 THR 22 -6.296 -5.603 4.698
159 3HG2 THR 22 3HG2 THR 22 -4.545 -5.553 4.899
160 H CYS 23 H CYS 23 -2.302 -3.907 2.095
161 HA CYS 23 HA CYS 23 -2.540 -2.032 -0.191
162 1HB CYS 23 1HB CYS 23 -0.444 -2.701 1.254
163 2HB CYS 23 2HB CYS 23 -0.398 -4.111 0.196
164 H THR 24 H THR 24 -2.527 -2.835 -2.408
165 HA THR 24 HA THR 24 -3.968 -5.410 -2.708
166 HB THR 24 HB THR 24 -3.272 -3.201 -4.670
167 HG1 THR 24 HG1 THR 24 -5.671 -3.759 -3.257
168 1HG2 THR 24 1HG2 THR 24 -5.001 -5.666 -4.836
169 2HG2 THR 24 2HG2 THR 24 -5.301 -4.268 -5.867
170 3HG2 THR 24 3HG2 THR 24 -3.758 -5.117 -5.959
171 H SER 25 H SER 25 -1.025 -3.822 -3.947
172 HA SER 25 HA SER 25 0.020 -6.530 -4.711
173 1HB SER 25 1HB SER 25 0.126 -3.862 -6.134
174 2HB SER 25 2HB SER 25 1.158 -5.216 -6.585
175 HG SER 25 HG SER 25 -0.492 -6.015 -7.596
176 H ASP 26 H ASP 26 2.545 -6.250 -5.115
177 HA ASP 26 HA ASP 26 3.671 -5.096 -2.622
178 1HB ASP 26 1HB ASP 26 4.492 -7.070 -4.741
179 2HB ASP 26 2HB ASP 26 5.717 -6.384 -3.676
180 H TYR 27 H TYR 27 4.082 -4.840 -6.165
181 HA TYR 27 HA TYR 27 6.065 -2.656 -5.840
182 1HB TYR 27 1HB TYR 27 5.091 -4.496 -7.980
183 2HB TYR 27 2HB TYR 27 5.748 -2.943 -8.495
184 HD1 TYR 27 HD1 TYR 27 6.553 -5.691 -6.059
185 HD2 TYR 27 HD2 TYR 27 8.034 -2.828 -8.899
186 HE1 TYR 27 HE1 TYR 27 8.851 -6.555 -5.729
187 HE2 TYR 27 HE2 TYR 27 10.334 -3.693 -8.570
188 HH TYR 27 HH TYR 27 11.471 -5.085 -6.322
189 H TYR 28 H TYR 28 3.106 -3.124 -7.796
190 HA TYR 28 HA TYR 28 2.477 -0.215 -7.392
191 1HB TYR 28 1HB TYR 28 1.897 -2.020 -9.769
192 2HB TYR 28 2HB TYR 28 1.551 -0.294 -9.672
193 HD1 TYR 28 HD1 TYR 28 3.697 1.154 -8.863
194 HD2 TYR 28 HD2 TYR 28 3.838 -2.631 -10.886
195 HE1 TYR 28 HE1 TYR 28 6.000 1.651 -9.627
196 HE2 TYR 28 HE2 TYR 28 6.142 -2.135 -11.654
197 HH TYR 28 HH TYR 28 8.109 -0.166 -10.403
198 H GLY 29 H GLY 29 1.033 -0.553 -5.638
199 1HA GLY 29 1HA GLY 29 -1.532 -1.870 -6.393
200 2HA GLY 29 2HA GLY 29 -0.768 -2.297 -4.864
201 H ASN 30 H ASN 30 -3.351 -1.099 -5.057
202 HA ASN 30 HA ASN 30 -2.850 1.668 -4.018
203 1HB ASN 30 1HB ASN 30 -4.994 0.313 -5.594
204 2HB ASN 30 2HB ASN 30 -5.492 1.603 -4.500
205 1HD2 ASN 30 2HD2 ASN 30 -5.196 3.731 -5.234
206 2HD2 ASN 30 1HD2 ASN 30 -4.282 4.157 -6.599
207 H CYS 31 H CYS 31 -4.725 2.276 -2.403
208 HA CYS 31 HA CYS 31 -5.289 -0.005 -0.546
209 1HB CYS 31 1HB CYS 31 -3.221 1.509 -0.073
210 2HB CYS 31 2HB CYS 31 -4.411 2.730 0.378
211 H SER 32 H SER 32 -7.229 0.303 0.706
212 HA SER 32 HA SER 32 -8.759 2.790 0.545
213 1HB SER 32 1HB SER 32 -10.662 1.521 -0.701
214 2HB SER 32 2HB SER 32 -9.293 2.088 -1.651
215 HG SER 32 HG SER 32 -10.133 -0.278 -1.700
Start of MODEL 10
1 1H CYS 1 1H CYS 1 3.163 5.828 7.525
2 2H CYS 1 2H CYS 1 2.614 4.964 8.859
3 H CYS 1 H CYS 1 2.680 6.305 5.365
4 HA CYS 1 HA CYS 1 2.827 3.210 6.662
5 1HB CYS 1 1HB CYS 1 0.537 2.770 7.342
6 2HB CYS 1 2HB CYS 1 1.541 2.979 8.772
7 H ILE 2 H ILE 2 0.997 3.212 4.964
8 HA ILE 2 HA ILE 2 1.035 5.850 3.590
9 HB ILE 2 HB ILE 2 0.463 2.983 2.805
10 1HG1 ILE 2 1HG1 ILE 2 2.343 4.089 1.093
11 2HG1 ILE 2 2HG1 ILE 2 2.714 4.868 2.631
12 1HG2 ILE 2 1HG2 ILE 2 0.127 5.502 1.146
13 2HG2 ILE 2 2HG2 ILE 2 0.190 3.875 0.469
14 3HG2 ILE 2 3HG2 ILE 2 -1.125 4.329 1.552
15 1HD1 ILE 2 1HD1 ILE 2 2.235 2.183 3.286
16 2HD1 ILE 2 2HD1 ILE 2 3.195 2.126 1.807
17 3HD1 ILE 2 3HD1 ILE 2 3.803 2.987 3.221
18 HA PRO 3 HA PRO 3 -3.195 6.549 4.688
19 1HB PRO 3 1HB PRO 3 -3.786 8.423 2.778
20 2HB PRO 3 2HB PRO 3 -2.829 8.784 4.229
21 1HG PRO 3 1HG PRO 3 -1.915 8.246 1.447
22 2HG PRO 3 2HG PRO 3 -1.310 9.421 2.625
23 1HD PRO 3 1HD PRO 3 -0.057 7.071 2.107
24 2HD PRO 3 2HD PRO 3 0.010 7.877 3.690
25 H LYS 4 H LYS 4 -5.223 5.822 3.955
26 HA LYS 4 HA LYS 4 -5.330 3.808 1.958
27 1HB LYS 4 1HB LYS 4 -7.689 3.810 2.448
28 2HB LYS 4 2HB LYS 4 -6.850 4.201 3.947
29 1HG LYS 4 1HG LYS 4 -7.445 6.597 2.380
30 2HG LYS 4 2HG LYS 4 -8.904 5.689 2.775
31 1HD LYS 4 1HD LYS 4 -8.822 6.450 4.887
32 2HD LYS 4 2HD LYS 4 -7.222 5.736 5.092
33 1HE LYS 4 1HE LYS 4 -6.138 7.734 4.717
34 2HE LYS 4 2HE LYS 4 -7.348 8.285 3.542
35 1HZ LYS 4 1HZ LYS 4 -8.027 9.526 5.287
36 2HZ LYS 4 2HZ LYS 4 -8.836 8.117 5.722
37 H TRP 5 H TRP 5 -6.484 3.819 -0.080
38 HA TRP 5 HA TRP 5 -6.965 4.632 -2.216
39 1HB TRP 5 1HB TRP 5 -7.861 6.782 -0.323
40 2HB TRP 5 2HB TRP 5 -8.032 7.008 -2.066
41 HD1 TRP 5 HD1 TRP 5 -9.040 4.559 0.714
42 HE1 TRP 5 HE1 TRP 5 -11.167 3.304 -0.027
43 HE3 TRP 5 HE3 TRP 5 -9.482 6.351 -4.028
44 HZ2 TRP 5 HZ2 TRP 5 -12.830 3.087 -2.347
45 HZ3 TRP 5 HZ3 TRP 5 -11.338 5.605 -5.492
46 HH2 TRP 5 HH2 TRP 5 -13.009 3.974 -4.656
47 H ASN 6 H ASN 6 -4.205 4.966 -1.268
48 HA ASN 6 HA ASN 6 -3.414 7.240 -3.049
49 1HB ASN 6 1HB ASN 6 -2.745 6.657 -0.194
50 2HB ASN 6 2HB ASN 6 -1.459 7.313 -1.208
51 1HD2 ASN 6 2HD2 ASN 6 -4.330 8.127 0.550
52 2HD2 ASN 6 1HD2 ASN 6 -4.440 9.743 0.040
53 H ARG 7 H ARG 7 -0.854 6.955 -3.405
54 HA ARG 7 HA ARG 7 -0.459 4.448 -4.760
55 1HB ARG 7 1HB ARG 7 0.788 6.990 -4.489
56 2HB ARG 7 2HB ARG 7 2.012 5.779 -4.103
57 1HG ARG 7 1HG ARG 7 1.049 4.570 -6.245
58 2HG ARG 7 2HG ARG 7 0.503 6.196 -6.659
59 1HD ARG 7 1HD ARG 7 2.869 7.005 -6.281
60 2HD ARG 7 2HD ARG 7 3.355 5.305 -6.123
61 1HH1 ARG 7 1HH1 ARG 7 1.798 8.114 -8.528
62 2HH1 ARG 7 2HH1 ARG 7 3.120 8.558 -9.556
63 1HH2 ARG 7 1HH2 ARG 7 4.741 5.501 -9.233
64 2HH2 ARG 7 2HH2 ARG 7 4.790 7.074 -9.957
65 H CYS 8 H CYS 8 0.341 2.525 -3.987
66 HA CYS 8 HA CYS 8 1.723 2.521 -1.326
67 1HB CYS 8 1HB CYS 8 -0.623 1.919 -1.031
68 2HB CYS 8 2HB CYS 8 -0.518 0.739 -2.337
69 H GLY 9 H GLY 9 3.133 0.656 -1.022
70 1HA GLY 9 1HA GLY 9 3.602 -1.387 -2.943
71 2HA GLY 9 2HA GLY 9 4.693 -0.047 -3.303
72 HA PRO 10 HA PRO 10 5.700 -1.806 1.109
73 1HB PRO 10 1HB PRO 10 5.182 -4.492 1.342
74 2HB PRO 10 2HB PRO 10 4.030 -3.233 1.834
75 1HG PRO 10 1HG PRO 10 4.113 -4.844 -0.675
76 2HG PRO 10 2HG PRO 10 2.723 -4.384 0.322
77 1HD PRO 10 1HD PRO 10 3.342 -3.111 -1.980
78 2HD PRO 10 2HD PRO 10 2.586 -2.281 -0.602
79 H LYS 11 H LYS 11 5.972 -3.720 -1.868
80 HA LYS 11 HA LYS 11 8.548 -4.912 -1.153
81 1HB LYS 11 1HB LYS 11 6.654 -5.679 -2.796
82 2HB LYS 11 2HB LYS 11 7.444 -4.594 -3.939
83 1HG LYS 11 1HG LYS 11 8.710 -6.433 -4.408
84 2HG LYS 11 2HG LYS 11 9.605 -5.935 -2.974
85 1HD LYS 11 1HD LYS 11 8.714 -7.607 -1.664
86 2HD LYS 11 2HD LYS 11 7.189 -7.633 -2.549
87 1HE LYS 11 1HE LYS 11 8.188 -9.655 -3.231
88 2HE LYS 11 2HE LYS 11 8.687 -8.552 -4.527
89 1HZ LYS 11 1HZ LYS 11 10.242 -9.309 -2.122
90 2HZ LYS 11 2HZ LYS 11 10.636 -9.623 -3.726
91 H MET 12 H MET 12 7.540 -1.822 -2.312
92 HA MET 12 HA MET 12 10.144 -1.243 -3.627
93 1HB MET 12 1HB MET 12 8.178 -0.565 -4.825
94 2HB MET 12 2HB MET 12 7.468 0.158 -3.382
95 1HG MET 12 1HG MET 12 8.312 1.978 -4.685
96 2HG MET 12 2HG MET 12 9.454 1.760 -3.360
97 1HE MET 12 1HE MET 12 10.033 3.421 -5.491
98 2HE MET 12 2HE MET 12 11.622 3.006 -4.834
99 3HE MET 12 3HE MET 12 11.339 2.942 -6.571
100 H ASP 13 H ASP 13 8.155 -0.160 -0.838
101 HA ASP 13 HA ASP 13 10.488 1.500 0.068
102 1HB ASP 13 1HB ASP 13 7.776 2.062 -0.320
103 2HB ASP 13 2HB ASP 13 7.939 1.903 1.430
104 H GLY 14 H GLY 14 8.443 -1.216 0.910
105 1HA GLY 14 1HA GLY 14 8.917 -2.827 2.603
106 2HA GLY 14 2HA GLY 14 10.102 -1.718 3.295
107 H VAL 15 H VAL 15 7.034 -0.317 2.535
108 HA VAL 15 HA VAL 15 6.181 -0.550 5.402
109 HB VAL 15 HB VAL 15 6.261 1.879 3.580
110 1HG1 VAL 15 1HG1 VAL 15 4.220 1.709 5.098
111 2HG1 VAL 15 2HG1 VAL 15 5.336 1.761 6.464
112 3HG1 VAL 15 3HG1 VAL 15 5.230 3.131 5.358
113 1HG2 VAL 15 1HG2 VAL 15 8.428 1.258 4.602
114 2HG2 VAL 15 2HG2 VAL 15 7.811 2.758 5.294
115 3HG2 VAL 15 3HG2 VAL 15 7.671 1.249 6.196
116 HA PRO 16 HA PRO 16 2.497 -1.793 3.158
117 1HB PRO 16 1HB PRO 16 1.125 -2.652 5.360
118 2HB PRO 16 2HB PRO 16 2.395 -3.621 4.585
119 1HG PRO 16 1HG PRO 16 2.507 -1.981 7.059
120 2HG PRO 16 2HG PRO 16 3.305 -3.514 6.682
121 1HD PRO 16 1HD PRO 16 4.539 -1.058 6.624
122 2HD PRO 16 2HD PRO 16 5.095 -2.486 5.726
123 H CYS 17 H CYS 17 0.066 -1.218 3.542
124 HA CYS 17 HA CYS 17 -0.221 1.620 3.886
125 1HB CYS 17 1HB CYS 17 -1.655 -0.332 2.718
126 2HB CYS 17 2HB CYS 17 -2.543 -0.228 4.240
127 H CYS 18 H CYS 18 -1.704 2.605 5.577
128 HA CYS 18 HA CYS 18 -0.771 2.246 8.205
129 1HB CYS 18 1HB CYS 18 -3.417 3.267 7.150
130 2HB CYS 18 2HB CYS 18 -2.851 3.517 8.803
131 H GLU 19 H GLU 19 -1.894 1.405 10.117
132 HA GLU 19 HA GLU 19 -2.476 -1.312 10.061
133 1HB GLU 19 1HB GLU 19 -2.577 0.897 11.902
134 2HB GLU 19 2HB GLU 19 -3.953 -0.167 12.195
135 1HG GLU 19 1HG GLU 19 -1.206 -1.334 11.805
136 2HG GLU 19 2HG GLU 19 -1.680 -0.693 13.380
137 HA PRO 20 HA PRO 20 -7.190 -0.497 9.989
138 1HB PRO 20 1HB PRO 20 -8.057 1.953 9.124
139 2HB PRO 20 2HB PRO 20 -7.752 1.571 10.830
140 1HG PRO 20 1HG PRO 20 -6.041 3.038 8.887
141 2HG PRO 20 2HG PRO 20 -6.331 3.361 10.602
142 1HD PRO 20 1HD PRO 20 -4.086 2.150 9.668
143 2HD PRO 20 2HD PRO 20 -4.752 1.852 11.288
144 H TYR 21 H TYR 21 -4.890 -0.123 7.630
145 HA TYR 21 HA TYR 21 -6.872 -0.710 5.474
146 1HB TYR 21 1HB TYR 21 -4.668 1.379 5.437
147 2HB TYR 21 2HB TYR 21 -5.555 0.865 4.002
148 HD1 TYR 21 HD1 TYR 21 -8.138 1.038 4.067
149 HD2 TYR 21 HD2 TYR 21 -5.545 3.050 6.838
150 HE1 TYR 21 HE1 TYR 21 -9.975 2.598 4.650
151 HE2 TYR 21 HE2 TYR 21 -7.381 4.611 7.420
152 HH TYR 21 HH TYR 21 -9.448 5.444 6.544
153 H THR 22 H THR 22 -5.487 -1.352 3.395
154 HA THR 22 HA THR 22 -2.947 -2.727 4.090
155 HB THR 22 HB THR 22 -4.298 -4.737 2.783
156 HG1 THR 22 HG1 THR 22 -6.353 -4.740 3.352
157 1HG2 THR 22 1HG2 THR 22 -4.159 -4.200 5.761
158 2HG2 THR 22 2HG2 THR 22 -4.508 -5.769 5.035
159 3HG2 THR 22 3HG2 THR 22 -2.934 -5.013 4.787
160 H CYS 23 H CYS 23 -1.844 -3.544 2.122
161 HA CYS 23 HA CYS 23 -2.370 -1.794 -0.210
162 1HB CYS 23 1HB CYS 23 -0.121 -2.459 1.041
163 2HB CYS 23 2HB CYS 23 -0.183 -3.842 -0.050
164 H THR 24 H THR 24 -2.543 -2.689 -2.394
165 HA THR 24 HA THR 24 -4.012 -5.264 -2.459
166 HB THR 24 HB THR 24 -3.438 -3.155 -4.567
167 HG1 THR 24 HG1 THR 24 -4.881 -2.126 -3.460
168 1HG2 THR 24 1HG2 THR 24 -4.070 -5.599 -5.243
169 2HG2 THR 24 2HG2 THR 24 -5.674 -5.166 -4.650
170 3HG2 THR 24 3HG2 THR 24 -4.948 -4.258 -5.976
171 H SER 25 H SER 25 -1.216 -3.748 -4.090
172 HA SER 25 HA SER 25 -0.266 -6.487 -4.866
173 1HB SER 25 1HB SER 25 -0.368 -3.821 -6.152
174 2HB SER 25 2HB SER 25 1.118 -4.724 -6.425
175 HG SER 25 HG SER 25 0.022 -6.229 -7.484
176 H ASP 26 H ASP 26 2.287 -6.372 -5.179
177 HA ASP 26 HA ASP 26 3.410 -5.449 -2.585
178 1HB ASP 26 1HB ASP 26 4.011 -7.471 -4.691
179 2HB ASP 26 2HB ASP 26 5.391 -6.825 -3.802
180 H TYR 27 H TYR 27 4.219 -5.253 -6.078
181 HA TYR 27 HA TYR 27 6.297 -3.237 -5.599
182 1HB TYR 27 1HB TYR 27 5.064 -4.629 -7.975
183 2HB TYR 27 2HB TYR 27 6.200 -3.298 -8.201
184 HD1 TYR 27 HD1 TYR 27 8.544 -3.506 -7.537
185 HD2 TYR 27 HD2 TYR 27 5.783 -6.752 -6.992
186 HE1 TYR 27 HE1 TYR 27 10.440 -5.048 -7.131
187 HE2 TYR 27 HE2 TYR 27 7.681 -8.296 -6.588
188 HH TYR 27 HH TYR 27 10.463 -7.579 -5.671
189 H TYR 28 H TYR 28 3.344 -3.206 -7.620
190 HA TYR 28 HA TYR 28 2.972 -0.318 -6.889
191 1HB TYR 28 1HB TYR 28 3.118 -1.752 -9.518
192 2HB TYR 28 2HB TYR 28 2.028 -0.372 -9.387
193 HD1 TYR 28 HD1 TYR 28 5.566 -1.454 -8.967
194 HD2 TYR 28 HD2 TYR 28 2.855 1.865 -9.294
195 HE1 TYR 28 HE1 TYR 28 7.488 0.096 -9.192
196 HE2 TYR 28 HE2 TYR 28 4.779 3.412 -9.520
197 HH TYR 28 HH TYR 28 7.715 2.579 -10.368
198 H GLY 29 H GLY 29 1.136 -0.360 -5.634
199 1HA GLY 29 1HA GLY 29 -1.309 -1.562 -6.811
200 2HA GLY 29 2HA GLY 29 -0.850 -2.081 -5.191
201 H ASN 30 H ASN 30 -3.267 -0.898 -5.362
202 HA ASN 30 HA ASN 30 -2.805 1.895 -4.352
203 1HB ASN 30 1HB ASN 30 -5.194 0.702 -5.807
204 2HB ASN 30 2HB ASN 30 -5.071 2.370 -5.244
205 1HD2 ASN 30 2HD2 ASN 30 -4.228 0.205 -7.830
206 2HD2 ASN 30 1HD2 ASN 30 -3.315 1.313 -8.737
207 H CYS 31 H CYS 31 -3.364 2.155 -2.244
208 HA CYS 31 HA CYS 31 -4.608 -0.013 -0.728
209 1HB CYS 31 1HB CYS 31 -2.765 1.640 -0.039
210 2HB CYS 31 2HB CYS 31 -4.051 2.835 0.135
211 H SER 32 H SER 32 -6.643 0.229 0.475
212 HA SER 32 HA SER 32 -8.411 2.488 0.087
213 1HB SER 32 1HB SER 32 -8.585 1.714 -2.164
214 2HB SER 32 2HB SER 32 -8.690 0.031 -1.659
215 HG SER 32 HG SER 32 -10.764 0.334 -1.644