Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
6705 | 1je9 RC | 5052 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LEU 1 1HT LEU 1 3.240 15.280 0.971
2 2H LEU 1 2HT LEU 1 4.764 14.491 0.906
3 3H LEU 1 3HT LEU 1 3.463 13.781 1.773
4 HA LEU 1 HA LEU 1 3.356 14.326 -1.108
5 1HB LEU 1 2HB LEU 1 5.190 12.687 0.017
6 2HB LEU 1 1HB LEU 1 3.833 11.582 -0.110
7 HG LEU 1 HG LEU 1 4.667 13.167 -2.508
8 1HD1 LEU 1 1HD1 LEU 1 5.970 10.873 -2.945
9 2HD1 LEU 1 2HD1 LEU 1 6.184 10.995 -1.199
10 3HD1 LEU 1 3HD1 LEU 1 6.739 12.300 -2.248
11 1HD2 LEU 1 1HD2 LEU 1 3.982 10.772 -3.423
12 2HD2 LEU 1 2HD2 LEU 1 2.785 12.016 -3.068
13 3HD2 LEU 1 3HD2 LEU 1 3.089 10.728 -1.902
14 H GLU 2 H GLU 2 1.512 13.553 -2.060
15 HA GLU 2 HA GLU 2 -0.626 12.780 -0.230
16 1HB GLU 2 2HB GLU 2 -0.466 14.320 -2.647
17 2HB GLU 2 1HB GLU 2 -1.609 13.004 -2.877
18 1HG GLU 2 2HG GLU 2 -3.123 13.914 -1.510
19 2HG GLU 2 1HG GLU 2 -1.909 14.413 -0.333
20 H CYS 3 H CYS 3 0.074 10.614 0.131
21 HA CYS 3 HA CYS 3 0.130 8.797 -2.131
22 1HB CYS 3 2HB CYS 3 0.669 8.504 0.817
23 2HB CYS 3 1HB CYS 3 0.558 7.107 -0.249
24 H HIS 4 H HIS 4 -0.956 6.532 -1.385
25 HA HIS 4 HA HIS 4 -3.787 7.189 -0.954
26 1HB HIS 4 2HB HIS 4 -2.402 5.014 -2.494
27 2HB HIS 4 1HB HIS 4 -4.073 4.808 -1.962
28 HD1 HIS 4 1HD HIS 4 -5.501 7.234 -2.643
29 HD2 HIS 4 2HD HIS 4 -2.391 5.875 -5.041
30 HE1 HIS 4 1HE HIS 4 -5.879 8.289 -4.894
31 HE2 HIS 4 2HE HIS 4 -4.048 7.365 -6.357
32 H ASN 5 H ASN 5 -5.081 5.794 0.347
33 HA ASN 5 HA ASN 5 -3.744 3.846 2.032
34 1HB ASN 5 2HB ASN 5 -4.545 4.923 4.129
35 2HB ASN 5 1HB ASN 5 -3.325 5.880 3.284
36 1HD2 ASN 5 1HD2 ASN 5 -4.051 7.683 2.020
37 2HD2 ASN 5 2HD2 ASN 5 -5.504 8.522 2.470
38 H GLN 6 H GLN 6 -5.571 3.266 0.160
39 HA GLN 6 HA GLN 6 -8.058 2.808 1.675
40 1HB GLN 6 2HB GLN 6 -9.165 2.619 -0.565
41 2HB GLN 6 1HB GLN 6 -8.551 4.222 -0.191
42 1HG GLN 6 2HG GLN 6 -7.392 4.222 -2.069
43 2HG GLN 6 1HG GLN 6 -6.494 2.807 -1.523
44 1HE2 GLN 6 1HE2 GLN 6 -6.397 2.215 -3.760
45 2HE2 GLN 6 2HE2 GLN 6 -7.747 1.418 -4.506
46 H GLN 7 H GLN 7 -8.200 0.778 2.349
47 HA GLN 7 HA GLN 7 -6.707 -1.340 1.103
48 1HB GLN 7 2HB GLN 7 -7.926 -2.730 2.864
49 2HB GLN 7 1HB GLN 7 -6.822 -1.496 3.446
50 1HG GLN 7 2HG GLN 7 -8.545 -0.125 4.174
51 2HG GLN 7 1HG GLN 7 -9.739 -0.915 3.144
52 1HE2 GLN 7 1HE2 GLN 7 -8.974 -0.479 6.218
53 2HE2 GLN 7 2HE2 GLN 7 -9.510 -1.980 6.909
54 H SER 8 H SER 8 -7.619 -3.271 0.232
55 HA SER 8 HA SER 8 -9.009 -4.443 -1.134
56 1HB SER 8 2HB SER 8 -11.314 -2.948 0.117
57 2HB SER 8 1HB SER 8 -11.305 -4.584 -0.553
58 HG SER 8 HG SER 8 -10.418 -5.329 1.238
59 H SER 9 H SER 9 -11.409 -3.770 -2.394
60 HA SER 9 HA SER 9 -10.449 -1.725 -4.252
61 1HB SER 9 2HB SER 9 -12.608 -2.727 -5.505
62 2HB SER 9 1HB SER 9 -11.015 -3.475 -5.605
63 HG SER 9 HG SER 9 -13.235 -4.230 -4.041
64 H GLN 10 H GLN 10 -11.645 -1.031 -1.667
65 HA GLN 10 HA GLN 10 -14.305 -0.099 -2.129
66 1HB GLN 10 2HB GLN 10 -12.291 0.147 0.041
67 2HB GLN 10 1HB GLN 10 -13.584 1.346 -0.008
68 1HG GLN 10 2HG GLN 10 -14.538 -1.378 -0.334
69 2HG GLN 10 1HG GLN 10 -13.687 -1.120 1.190
70 1HE2 GLN 10 1HE2 GLN 10 -15.262 -1.008 2.650
71 2HE2 GLN 10 2HE2 GLN 10 -16.611 0.083 2.587
72 H ALA 11 H ALA 11 -14.559 2.409 -1.381
73 HA ALA 11 HA ALA 11 -13.825 3.917 -3.627
74 1HB ALA 11 1HB ALA 11 -14.528 5.196 -1.014
75 2HB ALA 11 2HB ALA 11 -15.732 4.283 -1.924
76 3HB ALA 11 3HB ALA 11 -14.959 5.692 -2.651
77 HA PRO 12 HA PRO 12 -9.445 4.509 -2.660
78 1HB PRO 12 2HB PRO 12 -10.070 6.674 -4.642
79 2HB PRO 12 1HB PRO 12 -8.645 5.630 -4.536
80 1HG PRO 12 2HG PRO 12 -10.511 5.049 -6.295
81 2HG PRO 12 1HG PRO 12 -9.809 3.753 -5.297
82 1HD PRO 12 2HD PRO 12 -12.472 5.094 -5.057
83 2HD PRO 12 1HD PRO 12 -12.031 3.394 -4.779
84 H THR 13 H THR 13 -8.107 6.415 -2.013
85 HA THR 13 HA THR 13 -9.458 8.783 -1.100
86 HB THR 13 HB THR 13 -10.059 7.280 0.713
87 HG1 THR 13 1HG THR 13 -9.217 8.491 2.385
88 1HG2 THR 13 1HG2 THR 13 -7.698 6.778 2.076
89 2HG2 THR 13 2HG2 THR 13 -7.367 6.308 0.409
90 3HG2 THR 13 3HG2 THR 13 -8.734 5.601 1.270
91 H THR 14 H THR 14 -7.931 10.292 -0.004
92 HA THR 14 HA THR 14 -5.119 9.741 -0.626
93 HB THR 14 HB THR 14 -4.839 11.928 -1.655
94 HG1 THR 14 1HG THR 14 -6.558 13.294 -1.953
95 1HG2 THR 14 1HG2 THR 14 -7.024 10.257 -2.841
96 2HG2 THR 14 2HG2 THR 14 -5.323 10.339 -3.300
97 3HG2 THR 14 3HG2 THR 14 -6.395 11.698 -3.640
98 H LYS 15 H LYS 15 -3.609 10.895 0.612
99 HA LYS 15 HA LYS 15 -4.456 12.806 2.582
100 1HB LYS 15 2HB LYS 15 -4.643 10.118 3.302
101 2HB LYS 15 1HB LYS 15 -3.131 10.655 4.018
102 1HG LYS 15 2HG LYS 15 -4.961 12.683 4.579
103 2HG LYS 15 1HG LYS 15 -5.840 11.176 4.839
104 1HD LYS 15 2HD LYS 15 -4.881 11.200 6.868
105 2HD LYS 15 1HD LYS 15 -3.440 10.635 6.022
106 1HE LYS 15 2HE LYS 15 -2.363 12.473 6.646
107 2HE LYS 15 1HE LYS 15 -3.532 13.453 5.762
108 1HZ LYS 15 1HZ LYS 15 -3.150 13.675 8.365
109 2HZ LYS 15 2HZ LYS 15 -4.353 12.486 8.384
110 3HZ LYS 15 3HZ LYS 15 -4.649 13.975 7.637
111 H THR 16 H THR 16 -2.611 13.555 3.925
112 HA THR 16 HA THR 16 -0.094 13.288 2.421
113 HB THR 16 HB THR 16 -1.060 15.547 2.390
114 HG1 THR 16 1HG THR 16 0.972 16.021 2.348
115 1HG2 THR 16 1HG2 THR 16 -1.898 15.138 4.920
116 2HG2 THR 16 2HG2 THR 16 -1.735 16.725 4.167
117 3HG2 THR 16 3HG2 THR 16 -0.448 16.102 5.201
118 H CYS 17 H CYS 17 1.825 12.931 3.491
119 HA CYS 17 HA CYS 17 1.558 12.081 6.295
120 1HB CYS 17 2HB CYS 17 3.280 11.151 4.024
121 2HB CYS 17 1HB CYS 17 3.838 10.925 5.683
122 H SER 18 H SER 18 3.138 12.665 7.815
123 HA SER 18 HA SER 18 4.784 14.979 7.028
124 1HB SER 18 2HB SER 18 4.542 15.239 9.734
125 2HB SER 18 1HB SER 18 3.495 16.039 8.561
126 HG SER 18 HG SER 18 2.301 14.909 10.154
127 H GLY 19 H GLY 19 6.470 13.443 6.475
128 1HA GLY 19 2HA GLY 19 8.597 13.282 8.076
129 2HA GLY 19 1HA GLY 19 7.645 11.920 8.662
130 H GLU 20 H GLU 20 6.966 10.322 6.982
131 HA GLU 20 HA GLU 20 9.193 9.309 5.631
132 1HB GLU 20 2HB GLU 20 6.288 8.689 5.695
133 2HB GLU 20 1HB GLU 20 7.211 8.047 4.336
134 1HG GLU 20 2HG GLU 20 7.329 6.332 5.862
135 2HG GLU 20 1HG GLU 20 8.835 7.198 6.165
136 H THR 21 H THR 21 9.792 9.256 3.472
137 HA THR 21 HA THR 21 8.654 11.416 1.837
138 HB THR 21 HB THR 21 11.322 10.013 1.588
139 HG1 THR 21 1HG THR 21 12.118 12.019 2.368
140 1HG2 THR 21 1HG2 THR 21 9.939 11.711 -0.243
141 2HG2 THR 21 2HG2 THR 21 11.523 10.951 -0.399
142 3HG2 THR 21 3HG2 THR 21 11.376 12.535 0.364
143 H ASN 22 H ASN 22 9.343 7.993 1.901
144 HA ASN 22 HA ASN 22 8.099 7.729 -0.756
145 1HB ASN 22 2HB ASN 22 9.300 5.300 -0.334
146 2HB ASN 22 1HB ASN 22 9.999 6.626 -1.262
147 1HD2 ASN 22 1HD2 ASN 22 9.780 5.322 2.007
148 2HD2 ASN 22 2HD2 ASN 22 11.376 5.798 2.495
149 H CYS 23 H CYS 23 6.536 6.138 -1.076
150 HA CYS 23 HA CYS 23 5.315 5.103 1.382
151 1HB CYS 23 2HB CYS 23 4.164 6.046 -1.235
152 2HB CYS 23 1HB CYS 23 3.240 5.028 -0.138
153 H TYR 24 H TYR 24 3.576 3.257 0.243
154 HA TYR 24 HA TYR 24 5.042 1.527 -1.527
155 1HB TYR 24 2HB TYR 24 5.174 -0.379 0.014
156 2HB TYR 24 1HB TYR 24 6.134 0.985 0.588
157 HD1 TYR 24 1HD TYR 24 5.973 1.542 2.819
158 HD2 TYR 24 2HD TYR 24 2.683 -0.424 0.973
159 HE1 TYR 24 1HE TYR 24 4.820 1.445 4.989
160 HE2 TYR 24 2HE TYR 24 1.521 -0.521 3.135
161 HH TYR 24 HH TYR 24 2.058 -0.469 5.517
162 H LYS 25 H LYS 25 3.876 -0.733 -1.492
163 HA LYS 25 HA LYS 25 1.043 -0.623 -1.010
164 1HB LYS 25 2HB LYS 25 1.569 0.541 -3.296
165 2HB LYS 25 1HB LYS 25 1.819 -1.109 -3.867
166 1HG LYS 25 2HG LYS 25 -0.521 -1.516 -2.772
167 2HG LYS 25 1HG LYS 25 -0.683 0.229 -2.976
168 1HD LYS 25 2HD LYS 25 -0.907 0.062 -5.205
169 2HD LYS 25 1HD LYS 25 0.363 -1.155 -5.334
170 1HE LYS 25 2HE LYS 25 -1.112 -2.912 -4.880
171 2HE LYS 25 1HE LYS 25 -2.331 -1.833 -4.205
172 1HZ LYS 25 1HZ LYS 25 -1.827 -1.103 -6.876
173 2HZ LYS 25 2HZ LYS 25 -3.265 -1.673 -6.191
174 3HZ LYS 25 3HZ LYS 25 -2.137 -2.765 -6.818
175 H LYS 26 H LYS 26 0.633 -2.566 -0.209
176 HA LYS 26 HA LYS 26 2.138 -4.861 -1.279
177 1HB LYS 26 2HB LYS 26 1.170 -5.755 1.110
178 2HB LYS 26 1HB LYS 26 2.773 -5.100 0.859
179 1HG LYS 26 2HG LYS 26 2.145 -2.979 1.700
180 2HG LYS 26 1HG LYS 26 0.434 -3.408 1.680
181 1HD LYS 26 2HD LYS 26 0.803 -5.066 3.414
182 2HD LYS 26 1HD LYS 26 2.536 -4.735 3.393
183 1HE LYS 26 2HE LYS 26 1.800 -2.294 3.908
184 2HE LYS 26 1HE LYS 26 0.294 -3.048 4.428
185 1HZ LYS 26 1HZ LYS 26 3.008 -3.628 5.486
186 2HZ LYS 26 2HZ LYS 26 1.598 -4.440 5.949
187 3HZ LYS 26 3HZ LYS 26 1.775 -2.792 6.289
188 H TRP 27 H TRP 27 1.062 -6.871 -1.470
189 HA TRP 27 HA TRP 27 -1.770 -7.036 -1.081
190 1HB TRP 27 2HB TRP 27 -2.311 -7.535 -3.459
191 2HB TRP 27 1HB TRP 27 -1.868 -5.873 -3.179
192 HD1 TRP 27 HD TRP 27 -0.885 -8.900 -5.035
193 HE1 TRP 27 1HE TRP 27 1.035 -8.354 -6.642
194 HE3 TRP 27 3HE TRP 27 0.246 -4.223 -3.366
195 HZ2 TRP 27 2HZ TRP 27 2.809 -6.216 -7.150
196 HZ3 TRP 27 3HZ TRP 27 2.063 -2.986 -4.468
197 HH2 TRP 27 HH TRP 27 3.319 -3.962 -6.318
198 H TRP 28 H TRP 28 -2.643 -9.128 -1.846
199 HA TRP 28 HA TRP 28 -0.771 -11.245 -2.401
200 1HB TRP 28 2HB TRP 28 -1.372 -12.521 -0.312
201 2HB TRP 28 1HB TRP 28 -0.375 -11.096 -0.035
202 HD1 TRP 28 HD TRP 28 -3.835 -12.469 0.602
203 HE1 TRP 28 1HE TRP 28 -5.009 -10.943 2.272
204 HE3 TRP 28 3HE TRP 28 -0.443 -8.645 0.790
205 HZ2 TRP 28 2HZ TRP 28 -4.599 -8.462 3.539
206 HZ3 TRP 28 3HZ TRP 28 -0.915 -6.730 2.263
207 HH2 TRP 28 HH TRP 28 -2.953 -6.643 3.608
208 H SER 29 H SER 29 -2.021 -13.445 -2.079
209 HA SER 29 HA SER 29 -4.805 -13.082 -2.967
210 1HB SER 29 2HB SER 29 -2.590 -14.621 -4.257
211 2HB SER 29 1HB SER 29 -4.232 -15.271 -4.350
212 HG SER 29 HG SER 29 -4.027 -13.960 -6.093
213 H ASP 30 H ASP 30 -5.632 -13.626 -0.951
214 HA ASP 30 HA ASP 30 -4.877 -16.174 0.239
215 1HB ASP 30 2HB ASP 30 -6.495 -15.460 2.045
216 2HB ASP 30 1HB ASP 30 -5.108 -14.392 1.811
217 H HIS 31 H HIS 31 -6.956 -17.305 1.284
218 HA HIS 31 HA HIS 31 -8.291 -18.575 -0.810
219 1HB HIS 31 2HB HIS 31 -9.873 -19.352 1.068
220 2HB HIS 31 1HB HIS 31 -8.171 -19.781 1.200
221 HD1 HIS 31 1HD HIS 31 -10.446 -16.989 2.446
222 HD2 HIS 31 2HD HIS 31 -7.158 -19.230 3.640
223 HE1 HIS 31 1HE HIS 31 -9.943 -16.245 4.795
224 HE2 HIS 31 2HE HIS 31 -8.008 -17.682 5.528
225 H ARG 32 H ARG 32 -9.142 -15.748 1.060
226 HA ARG 32 HA ARG 32 -11.865 -15.632 0.206
227 1HB ARG 32 2HB ARG 32 -10.004 -13.856 1.697
228 2HB ARG 32 1HB ARG 32 -11.409 -13.103 0.944
229 1HG ARG 32 2HG ARG 32 -12.675 -15.083 2.141
230 2HG ARG 32 1HG ARG 32 -11.262 -15.034 3.196
231 1HD ARG 32 2HD ARG 32 -12.999 -12.661 2.532
232 2HD ARG 32 1HD ARG 32 -13.139 -13.629 3.999
233 HE ARG 32 HE ARG 32 -10.504 -12.566 3.562
234 1HH1 ARG 32 1HH1 ARG 32 -13.660 -11.927 4.907
235 2HH1 ARG 32 2HH1 ARG 32 -13.080 -10.742 6.030
236 1HH2 ARG 32 1HH2 ARG 32 -9.738 -11.009 5.036
237 2HH2 ARG 32 2HH2 ARG 32 -10.853 -10.220 6.102
238 H GLY 33 H GLY 33 -8.824 -14.486 -1.055
239 1HA GLY 33 2HA GLY 33 -9.315 -14.246 -3.641
240 2HA GLY 33 1HA GLY 33 -10.154 -12.813 -3.048
241 H THR 34 H THR 34 -8.964 -11.096 -3.546
242 HA THR 34 HA THR 34 -6.088 -11.179 -2.909
243 HB THR 34 HB THR 34 -7.251 -9.480 -5.106
244 HG1 THR 34 1HG THR 34 -7.697 -11.572 -5.718
245 1HG2 THR 34 1HG2 THR 34 -4.810 -9.335 -4.040
246 2HG2 THR 34 2HG2 THR 34 -5.143 -9.019 -5.743
247 3HG2 THR 34 3HG2 THR 34 -4.527 -10.594 -5.243
248 H ILE 35 H ILE 35 -5.297 -9.546 -1.699
249 HA ILE 35 HA ILE 35 -7.066 -7.248 -1.169
250 HB ILE 35 HB ILE 35 -5.331 -8.547 0.926
251 1HG1 ILE 35 2HG1 ILE 35 -8.316 -8.824 0.507
252 2HG1 ILE 35 1HG1 ILE 35 -7.124 -10.089 0.230
253 1HG2 ILE 35 1HG2 ILE 35 -7.052 -7.198 2.358
254 2HG2 ILE 35 2HG2 ILE 35 -7.250 -6.265 0.875
255 3HG2 ILE 35 3HG2 ILE 35 -5.664 -6.386 1.637
256 1HD1 ILE 35 1HD1 ILE 35 -6.519 -9.700 2.720
257 2HD1 ILE 35 2HD1 ILE 35 -7.955 -10.634 2.301
258 3HD1 ILE 35 3HD1 ILE 35 -8.112 -8.950 2.800
259 H ILE 36 H ILE 36 -6.009 -5.278 -0.603
260 HA ILE 36 HA ILE 36 -3.108 -5.196 -0.989
261 HB ILE 36 HB ILE 36 -3.203 -3.407 -2.594
262 1HG1 ILE 36 2HG1 ILE 36 -6.211 -3.629 -2.327
263 2HG1 ILE 36 1HG1 ILE 36 -5.212 -2.259 -1.852
264 1HG2 ILE 36 1HG2 ILE 36 -3.473 -4.772 -4.349
265 2HG2 ILE 36 2HG2 ILE 36 -5.149 -5.131 -3.936
266 3HG2 ILE 36 3HG2 ILE 36 -3.839 -6.002 -3.142
267 1HD1 ILE 36 1HD1 ILE 36 -4.550 -2.126 -4.315
268 2HD1 ILE 36 2HD1 ILE 36 -6.178 -1.614 -3.866
269 3HD1 ILE 36 3HD1 ILE 36 -5.921 -3.196 -4.604
270 H GLU 37 H GLU 37 -2.111 -3.826 0.399
271 HA GLU 37 HA GLU 37 -3.759 -1.763 1.701
272 1HB GLU 37 2HB GLU 37 -1.823 -2.278 3.561
273 2HB GLU 37 1HB GLU 37 -3.458 -2.935 3.599
274 1HG GLU 37 2HG GLU 37 -2.733 -4.979 2.624
275 2HG GLU 37 1HG GLU 37 -1.133 -4.322 2.290
276 H ARG 38 H ARG 38 -2.440 0.026 2.648
277 HA ARG 38 HA ARG 38 0.054 0.480 1.161
278 1HB ARG 38 2HB ARG 38 -2.197 2.477 1.455
279 2HB ARG 38 1HB ARG 38 -0.630 2.810 0.731
280 1HG ARG 38 2HG ARG 38 -1.382 2.135 -1.231
281 2HG ARG 38 1HG ARG 38 -1.717 0.535 -0.564
282 1HD ARG 38 2HD ARG 38 -3.932 1.086 -0.054
283 2HD ARG 38 1HD ARG 38 -3.620 2.818 -0.164
284 HE ARG 38 HE ARG 38 -4.076 2.698 -2.393
285 1HH1 ARG 38 1HH1 ARG 38 -3.261 -0.504 -1.269
286 2HH1 ARG 38 2HH1 ARG 38 -3.614 -1.262 -2.785
287 1HH2 ARG 38 1HH2 ARG 38 -4.542 1.703 -4.388
288 2HH2 ARG 38 2HH2 ARG 38 -4.342 -0.009 -4.556
289 H GLY 39 H GLY 39 0.909 2.806 2.012
290 1HA GLY 39 2HA GLY 39 0.542 3.742 4.543
291 2HA GLY 39 1HA GLY 39 1.551 2.323 4.773
292 H CYS 40 H CYS 40 2.316 4.984 5.410
293 HA CYS 40 HA CYS 40 4.139 5.819 3.308
294 1HB CYS 40 2HB CYS 40 3.195 6.978 5.895
295 2HB CYS 40 1HB CYS 40 4.734 7.534 5.233
296 H GLY 41 H GLY 41 5.929 4.638 3.119
297 1HA GLY 41 2HA GLY 41 8.127 4.721 4.635
298 2HA GLY 41 1HA GLY 41 7.204 3.460 5.451
299 H CYS 42 H CYS 42 8.887 1.962 4.924
300 HA CYS 42 HA CYS 42 8.413 0.637 2.424
301 1HB CYS 42 2HB CYS 42 10.064 2.411 1.799
302 2HB CYS 42 1HB CYS 42 11.206 1.680 2.930
303 HA PRO 43 HA PRO 43 9.900 -1.999 5.982
304 1HB PRO 43 2HB PRO 43 7.614 -3.267 6.573
305 2HB PRO 43 1HB PRO 43 7.965 -1.650 7.208
306 1HG PRO 43 2HG PRO 43 6.226 -2.449 4.903
307 2HG PRO 43 1HG PRO 43 5.929 -1.236 6.165
308 1HD PRO 43 2HD PRO 43 6.838 -0.648 3.636
309 2HD PRO 43 1HD PRO 43 7.124 0.373 5.062
310 H LYS 44 H LYS 44 9.102 -4.538 6.187
311 HA LYS 44 HA LYS 44 9.140 -5.648 3.463
312 1HB LYS 44 2HB LYS 44 10.938 -6.333 5.778
313 2HB LYS 44 1HB LYS 44 10.662 -7.463 4.460
314 1HG LYS 44 2HG LYS 44 11.593 -5.926 2.871
315 2HG LYS 44 1HG LYS 44 11.720 -4.667 4.102
316 1HD LYS 44 2HD LYS 44 13.102 -6.705 5.264
317 2HD LYS 44 1HD LYS 44 13.465 -6.965 3.557
318 1HE LYS 44 2HE LYS 44 13.939 -4.474 5.183
319 2HE LYS 44 1HE LYS 44 15.150 -5.530 4.458
320 1HZ LYS 44 1HZ LYS 44 15.003 -3.715 3.026
321 2HZ LYS 44 2HZ LYS 44 13.315 -3.647 3.109
322 3HZ LYS 44 3HZ LYS 44 14.068 -4.902 2.261
323 H VAL 45 H VAL 45 8.945 -8.238 3.804
324 HA VAL 45 HA VAL 45 7.097 -8.944 5.908
325 HB VAL 45 HB VAL 45 5.380 -9.783 4.232
326 1HG1 VAL 45 1HG1 VAL 45 5.091 -7.809 5.718
327 2HG1 VAL 45 2HG1 VAL 45 4.190 -7.701 4.205
328 3HG1 VAL 45 3HG1 VAL 45 5.687 -6.789 4.407
329 1HG2 VAL 45 1HG2 VAL 45 7.199 -9.097 2.355
330 2HG2 VAL 45 2HG2 VAL 45 6.172 -7.664 2.348
331 3HG2 VAL 45 3HG2 VAL 45 5.470 -9.253 2.043
332 H LYS 46 H LYS 46 6.494 -11.248 5.817
333 HA LYS 46 HA LYS 46 8.724 -12.829 5.054
334 1HB LYS 46 2HB LYS 46 6.167 -13.358 6.522
335 2HB LYS 46 1HB LYS 46 7.187 -14.692 6.004
336 1HG LYS 46 2HG LYS 46 8.300 -12.429 7.619
337 2HG LYS 46 1HG LYS 46 7.470 -13.786 8.383
338 1HD LYS 46 2HD LYS 46 9.704 -14.239 6.434
339 2HD LYS 46 1HD LYS 46 10.035 -13.892 8.132
340 1HE LYS 46 2HE LYS 46 9.325 -15.918 8.818
341 2HE LYS 46 1HE LYS 46 8.005 -15.964 7.650
342 1HZ LYS 46 1HZ LYS 46 9.334 -17.569 6.790
343 2HZ LYS 46 2HZ LYS 46 10.765 -16.884 7.376
344 3HZ LYS 46 3HZ LYS 46 10.023 -16.241 5.999
345 HA PRO 47 HA PRO 47 7.769 -14.320 1.034
346 1HB PRO 47 2HB PRO 47 7.798 -17.044 2.177
347 2HB PRO 47 1HB PRO 47 8.752 -16.360 0.870
348 1HG PRO 47 2HG PRO 47 9.601 -16.801 3.474
349 2HG PRO 47 1HG PRO 47 10.436 -15.857 2.238
350 1HD PRO 47 2HD PRO 47 9.245 -14.912 4.630
351 2HD PRO 47 1HD PRO 47 9.964 -13.956 3.321
352 H GLY 48 H GLY 48 5.826 -14.298 0.119
353 1HA GLY 48 2HA GLY 48 3.817 -15.834 -0.170
354 2HA GLY 48 1HA GLY 48 3.578 -15.564 1.556
355 H VAL 49 H VAL 49 4.435 -12.760 1.367
356 HA VAL 49 HA VAL 49 2.007 -11.665 0.105
357 HB VAL 49 HB VAL 49 3.557 -10.415 2.373
358 1HG1 VAL 49 1HG1 VAL 49 2.102 -8.716 2.292
359 2HG1 VAL 49 2HG1 VAL 49 0.726 -9.786 2.027
360 3HG1 VAL 49 3HG1 VAL 49 1.736 -9.296 0.667
361 1HG2 VAL 49 1HG2 VAL 49 1.559 -11.179 3.753
362 2HG2 VAL 49 2HG2 VAL 49 2.732 -12.416 3.300
363 3HG2 VAL 49 3HG2 VAL 49 1.204 -12.287 2.426
364 H ASN 50 H ASN 50 2.206 -10.055 -1.365
365 HA ASN 50 HA ASN 50 4.909 -9.329 -2.176
366 1HB ASN 50 2HB ASN 50 2.485 -8.325 -3.607
367 2HB ASN 50 1HB ASN 50 4.054 -8.800 -4.257
368 1HD2 ASN 50 1HD2 ASN 50 0.899 -9.833 -3.345
369 2HD2 ASN 50 2HD2 ASN 50 1.029 -11.464 -3.927
370 H LEU 51 H LEU 51 5.618 -7.203 -2.432
371 HA LEU 51 HA LEU 51 4.024 -4.974 -1.582
372 1HB LEU 51 2HB LEU 51 4.604 -5.786 0.592
373 2HB LEU 51 1HB LEU 51 6.279 -6.011 0.127
374 HG LEU 51 HG LEU 51 6.276 -3.436 -0.228
375 1HD1 LEU 51 1HD1 LEU 51 3.707 -3.488 0.158
376 2HD1 LEU 51 2HD1 LEU 51 4.669 -2.169 0.828
377 3HD1 LEU 51 3HD1 LEU 51 4.151 -3.499 1.866
378 1HD2 LEU 51 1HD2 LEU 51 6.052 -4.092 2.646
379 2HD2 LEU 51 2HD2 LEU 51 7.340 -3.271 1.764
380 3HD2 LEU 51 3HD2 LEU 51 7.206 -5.029 1.698
381 H ASN 52 H ASN 52 4.983 -2.966 -2.113
382 HA ASN 52 HA ASN 52 7.684 -2.915 -3.136
383 1HB ASN 52 2HB ASN 52 7.263 -2.530 -5.389
384 2HB ASN 52 1HB ASN 52 6.079 -3.770 -4.993
385 1HD2 ASN 52 1HD2 ASN 52 4.043 -2.485 -3.881
386 2HD2 ASN 52 2HD2 ASN 52 3.381 -1.305 -4.953
387 H CYS 53 H CYS 53 8.584 -1.043 -2.622
388 HA CYS 53 HA CYS 53 6.953 1.153 -1.689
389 1HB CYS 53 2HB CYS 53 9.959 1.087 -1.906
390 2HB CYS 53 1HB CYS 53 8.963 2.055 -0.827
391 H CYS 54 H CYS 54 7.350 3.360 -2.412
392 HA CYS 54 HA CYS 54 8.633 3.837 -4.935
393 1HB CYS 54 2HB CYS 54 6.387 4.762 -5.891
394 2HB CYS 54 1HB CYS 54 6.750 3.042 -6.034
395 H ARG 55 H ARG 55 8.637 5.983 -5.571
396 HA ARG 55 HA ARG 55 8.108 7.831 -3.364
397 1HB ARG 55 2HB ARG 55 10.154 8.714 -5.185
398 2HB ARG 55 1HB ARG 55 10.235 8.442 -3.453
399 1HG ARG 55 2HG ARG 55 10.469 5.954 -4.088
400 2HG ARG 55 1HG ARG 55 10.902 6.583 -5.683
401 1HD ARG 55 2HD ARG 55 12.877 7.430 -4.960
402 2HD ARG 55 1HD ARG 55 12.249 7.816 -3.357
403 HE ARG 55 HE ARG 55 12.319 5.123 -3.331
404 1HH1 ARG 55 1HH1 ARG 55 14.699 7.534 -4.179
405 2HH1 ARG 55 2HH1 ARG 55 16.043 6.557 -3.693
406 1HH2 ARG 55 1HH2 ARG 55 14.088 3.839 -2.692
407 2HH2 ARG 55 2HH2 ARG 55 15.697 4.460 -2.848
408 H THR 56 H THR 56 6.144 7.344 -5.311
409 HA THR 56 HA THR 56 6.140 9.927 -6.723
410 HB THR 56 HB THR 56 4.607 7.721 -7.962
411 HG1 THR 56 1HG THR 56 7.428 7.748 -7.847
412 1HG2 THR 56 1HG2 THR 56 4.572 9.274 -9.540
413 2HG2 THR 56 2HG2 THR 56 6.259 8.863 -9.848
414 3HG2 THR 56 3HG2 THR 56 5.859 10.200 -8.769
415 H ASP 57 H ASP 57 4.096 10.921 -6.986
416 HA ASP 57 HA ASP 57 2.358 10.647 -4.788
417 1HB ASP 57 2HB ASP 57 2.423 12.257 -7.277
418 2HB ASP 57 1HB ASP 57 0.838 12.048 -6.528
419 H ARG 58 H ARG 58 0.696 9.324 -4.438
420 HA ARG 58 HA ARG 58 -0.892 7.726 -4.745
421 1HB ARG 58 2HB ARG 58 -1.070 9.097 -7.432
422 2HB ARG 58 1HB ARG 58 -2.188 7.839 -6.904
423 1HG ARG 58 2HG ARG 58 -2.769 9.272 -4.952
424 2HG ARG 58 1HG ARG 58 -1.774 10.547 -5.658
425 1HD ARG 58 2HD ARG 58 -3.569 9.526 -7.641
426 2HD ARG 58 1HD ARG 58 -4.478 9.952 -6.190
427 HE ARG 58 HE ARG 58 -2.609 11.972 -7.016
428 1HH1 ARG 58 1HH1 ARG 58 -5.838 10.721 -7.442
429 2HH1 ARG 58 2HH1 ARG 58 -6.483 12.228 -8.000
430 1HH2 ARG 58 1HH2 ARG 58 -3.455 13.956 -7.750
431 2HH2 ARG 58 2HH2 ARG 58 -5.129 14.065 -8.177
432 H CYS 59 H CYS 59 1.929 7.194 -5.444
433 HA CYS 59 HA CYS 59 2.118 5.561 -7.718
434 1HB CYS 59 2HB CYS 59 4.223 4.847 -6.819
435 2HB CYS 59 1HB CYS 59 4.031 6.560 -6.452
436 H ASN 60 H ASN 60 0.950 4.965 -4.496
437 HA ASN 60 HA ASN 60 0.844 2.077 -4.967
438 1HB ASN 60 2HB ASN 60 0.062 2.018 -2.564
439 2HB ASN 60 1HB ASN 60 1.697 2.639 -2.808
440 1HD2 ASN 60 1HD2 ASN 60 0.852 3.310 -0.514
441 2HD2 ASN 60 2HD2 ASN 60 0.237 4.933 -0.433
442 H ASN 61 H ASN 61 -0.872 3.955 -6.429
443 HA ASN 61 HA ASN 61 -3.493 3.903 -5.364
444 1HB ASN 61 2HB ASN 61 -4.148 4.470 -7.725
445 2HB ASN 61 1HB ASN 61 -2.960 5.551 -7.013
446 1HD2 ASN 61 1HD2 ASN 61 -3.649 4.726 -9.826
447 2HD2 ASN 61 2HD2 ASN 61 -2.123 4.280 -10.525
Start of MODEL 2
1 1H LEU 1 1HT LEU 1 4.583 15.336 -0.969
2 2H LEU 1 2HT LEU 1 5.748 14.589 -1.983
3 3H LEU 1 3HT LEU 1 5.002 13.693 -0.723
4 HA LEU 1 HA LEU 1 3.485 14.894 -2.919
5 1HB LEU 1 2HB LEU 1 3.623 12.790 -4.078
6 2HB LEU 1 1HB LEU 1 5.242 13.404 -3.796
7 HG LEU 1 HG LEU 1 4.304 11.636 -1.680
8 1HD1 LEU 1 1HD1 LEU 1 4.789 9.602 -3.197
9 2HD1 LEU 1 2HD1 LEU 1 4.361 10.690 -4.518
10 3HD1 LEU 1 3HD1 LEU 1 3.188 10.342 -3.249
11 1HD2 LEU 1 1HD2 LEU 1 6.493 11.074 -1.567
12 2HD2 LEU 1 2HD2 LEU 1 6.678 12.585 -2.457
13 3HD2 LEU 1 3HD2 LEU 1 6.690 11.047 -3.320
14 H GLU 2 H GLU 2 1.789 12.832 -3.315
15 HA GLU 2 HA GLU 2 0.654 12.199 -0.680
16 1HB GLU 2 2HB GLU 2 -0.382 14.181 -2.232
17 2HB GLU 2 1HB GLU 2 -1.307 12.798 -2.801
18 1HG GLU 2 2HG GLU 2 -2.265 12.423 -0.715
19 2HG GLU 2 1HG GLU 2 -1.039 13.375 0.122
20 H CYS 3 H CYS 3 0.547 10.064 -0.527
21 HA CYS 3 HA CYS 3 -0.115 8.516 -2.942
22 1HB CYS 3 2HB CYS 3 0.975 6.648 -1.306
23 2HB CYS 3 1HB CYS 3 1.886 7.546 -2.518
24 H HIS 4 H HIS 4 -0.823 6.141 -2.013
25 HA HIS 4 HA HIS 4 -3.225 6.737 -0.439
26 1HB HIS 4 2HB HIS 4 -2.620 4.314 -2.149
27 2HB HIS 4 1HB HIS 4 -4.166 4.699 -1.386
28 HD1 HIS 4 1HD HIS 4 -5.308 6.993 -2.304
29 HD2 HIS 4 2HD HIS 4 -2.341 5.296 -4.669
30 HE1 HIS 4 1HE HIS 4 -5.596 8.017 -4.582
31 HE2 HIS 4 2HE HIS 4 -3.845 6.912 -6.017
32 H ASN 5 H ASN 5 -3.942 5.231 1.174
33 HA ASN 5 HA ASN 5 -2.019 3.314 2.202
34 1HB ASN 5 2HB ASN 5 -2.098 4.318 4.493
35 2HB ASN 5 1HB ASN 5 -1.248 5.313 3.307
36 1HD2 ASN 5 1HD2 ASN 5 -4.027 5.014 5.342
37 2HD2 ASN 5 2HD2 ASN 5 -4.617 6.633 5.128
38 H GLN 6 H GLN 6 -4.465 2.826 1.053
39 HA GLN 6 HA GLN 6 -6.143 2.083 3.361
40 1HB GLN 6 2HB GLN 6 -8.087 2.237 1.929
41 2HB GLN 6 1HB GLN 6 -7.193 3.749 1.858
42 1HG GLN 6 2HG GLN 6 -6.432 1.810 -0.196
43 2HG GLN 6 1HG GLN 6 -8.103 2.360 -0.295
44 1HE2 GLN 6 1HE2 GLN 6 -6.319 2.916 -2.290
45 2HE2 GLN 6 2HE2 GLN 6 -5.969 4.617 -2.304
46 H GLN 7 H GLN 7 -7.829 0.302 2.294
47 HA GLN 7 HA GLN 7 -6.076 -1.849 1.310
48 1HB GLN 7 2HB GLN 7 -8.127 -3.214 2.395
49 2HB GLN 7 1HB GLN 7 -6.679 -2.783 3.289
50 1HG GLN 7 2HG GLN 7 -9.057 -0.968 3.247
51 2HG GLN 7 1HG GLN 7 -8.982 -2.346 4.346
52 1HE2 GLN 7 1HE2 GLN 7 -9.116 -0.667 5.989
53 2HE2 GLN 7 2HE2 GLN 7 -7.657 0.120 6.505
54 H SER 8 H SER 8 -7.776 -3.725 0.510
55 HA SER 8 HA SER 8 -8.992 -2.530 -1.832
56 1HB SER 8 2HB SER 8 -9.168 -4.757 -2.692
57 2HB SER 8 1HB SER 8 -7.597 -4.643 -1.890
58 HG SER 8 HG SER 8 -9.961 -5.884 -0.946
59 H SER 9 H SER 9 -11.166 -3.043 -2.521
60 HA SER 9 HA SER 9 -13.410 -3.393 -2.266
61 1HB SER 9 2HB SER 9 -12.572 -5.275 -0.643
62 2HB SER 9 1HB SER 9 -13.106 -4.162 0.617
63 HG SER 9 HG SER 9 -14.849 -5.412 0.143
64 H GLN 10 H GLN 10 -12.013 -2.123 0.764
65 HA GLN 10 HA GLN 10 -14.118 -0.487 1.509
66 1HB GLN 10 2HB GLN 10 -11.220 -0.588 2.082
67 2HB GLN 10 1HB GLN 10 -12.016 0.950 2.417
68 1HG GLN 10 2HG GLN 10 -13.462 -1.390 3.404
69 2HG GLN 10 1HG GLN 10 -11.867 -1.161 4.127
70 1HE2 GLN 10 1HE2 GLN 10 -11.510 1.371 4.497
71 2HE2 GLN 10 2HE2 GLN 10 -12.771 2.105 5.440
72 H ALA 11 H ALA 11 -13.465 2.083 1.720
73 HA ALA 11 HA ALA 11 -13.556 3.006 -1.053
74 1HB ALA 11 1HB ALA 11 -14.612 3.997 1.519
75 2HB ALA 11 2HB ALA 11 -15.329 4.025 -0.091
76 3HB ALA 11 3HB ALA 11 -14.112 5.221 0.352
77 HA PRO 12 HA PRO 12 -9.136 3.967 -0.682
78 1HB PRO 12 2HB PRO 12 -10.053 5.512 -3.083
79 2HB PRO 12 1HB PRO 12 -8.561 4.587 -2.848
80 1HG PRO 12 2HG PRO 12 -10.522 3.496 -4.216
81 2HG PRO 12 1HG PRO 12 -9.666 2.533 -2.987
82 1HD PRO 12 2HD PRO 12 -12.375 3.795 -2.852
83 2HD PRO 12 1HD PRO 12 -11.817 2.238 -2.197
84 H THR 13 H THR 13 -7.876 6.034 -0.711
85 HA THR 13 HA THR 13 -9.292 8.500 -0.288
86 HB THR 13 HB THR 13 -9.616 7.523 1.907
87 HG1 THR 13 1HG THR 13 -8.646 9.137 3.113
88 1HG2 THR 13 1HG2 THR 13 -7.708 5.933 1.841
89 2HG2 THR 13 2HG2 THR 13 -7.854 6.836 3.349
90 3HG2 THR 13 3HG2 THR 13 -6.631 7.292 2.163
91 H THR 14 H THR 14 -7.546 10.152 0.705
92 HA THR 14 HA THR 14 -4.862 9.599 -0.242
93 HB THR 14 HB THR 14 -5.106 11.940 -1.514
94 HG1 THR 14 1HG THR 14 -7.124 11.934 -2.610
95 1HG2 THR 14 1HG2 THR 14 -4.369 10.544 -3.070
96 2HG2 THR 14 2HG2 THR 14 -6.063 10.272 -3.478
97 3HG2 THR 14 3HG2 THR 14 -5.235 9.177 -2.371
98 H LYS 15 H LYS 15 -3.467 10.469 1.133
99 HA LYS 15 HA LYS 15 -3.840 13.094 2.237
100 1HB LYS 15 2HB LYS 15 -4.936 10.968 3.678
101 2HB LYS 15 1HB LYS 15 -3.411 11.305 4.483
102 1HG LYS 15 2HG LYS 15 -4.587 13.801 4.017
103 2HG LYS 15 1HG LYS 15 -5.887 12.751 4.580
104 1HD LYS 15 2HD LYS 15 -3.616 12.231 6.195
105 2HD LYS 15 1HD LYS 15 -3.800 13.983 6.087
106 1HE LYS 15 2HE LYS 15 -5.277 13.728 7.752
107 2HE LYS 15 1HE LYS 15 -6.374 13.181 6.484
108 1HZ LYS 15 1HZ LYS 15 -6.026 10.969 7.028
109 2HZ LYS 15 2HZ LYS 15 -6.066 11.718 8.544
110 3HZ LYS 15 3HZ LYS 15 -4.583 11.278 7.858
111 H THR 16 H THR 16 -1.946 13.956 3.095
112 HA THR 16 HA THR 16 0.468 12.548 2.326
113 HB THR 16 HB THR 16 0.203 15.296 3.557
114 HG1 THR 16 1HG THR 16 0.361 14.629 0.808
115 1HG2 THR 16 1HG2 THR 16 2.463 14.745 3.652
116 2HG2 THR 16 2HG2 THR 16 2.300 15.667 2.156
117 3HG2 THR 16 3HG2 THR 16 2.419 13.907 2.101
118 H CYS 17 H CYS 17 2.313 12.360 3.757
119 HA CYS 17 HA CYS 17 1.475 11.806 6.519
120 1HB CYS 17 2HB CYS 17 3.693 10.669 4.816
121 2HB CYS 17 1HB CYS 17 3.601 10.402 6.559
122 H SER 18 H SER 18 2.318 12.921 8.165
123 HA SER 18 HA SER 18 4.109 15.107 7.612
124 1HB SER 18 2HB SER 18 3.887 15.183 10.289
125 2HB SER 18 1HB SER 18 2.641 15.817 9.215
126 HG SER 18 HG SER 18 2.691 13.214 10.347
127 H GLY 19 H GLY 19 6.176 14.537 7.234
128 1HA GLY 19 2HA GLY 19 8.292 14.232 8.420
129 2HA GLY 19 1HA GLY 19 7.515 12.935 9.327
130 H GLU 20 H GLU 20 6.297 11.483 7.358
131 HA GLU 20 HA GLU 20 8.423 9.945 6.343
132 1HB GLU 20 2HB GLU 20 5.457 9.972 5.967
133 2HB GLU 20 1HB GLU 20 6.443 8.998 4.877
134 1HG GLU 20 2HG GLU 20 6.813 8.749 7.826
135 2HG GLU 20 1HG GLU 20 5.448 7.956 7.041
136 H THR 21 H THR 21 8.106 9.276 3.816
137 HA THR 21 HA THR 21 7.808 11.586 2.111
138 HB THR 21 HB THR 21 10.505 10.247 2.351
139 HG1 THR 21 1HG THR 21 11.155 12.273 3.161
140 1HG2 THR 21 1HG2 THR 21 9.996 12.773 0.854
141 2HG2 THR 21 2HG2 THR 21 9.727 11.211 0.078
142 3HG2 THR 21 3HG2 THR 21 11.324 11.622 0.703
143 H ASN 22 H ASN 22 8.951 8.247 2.368
144 HA ASN 22 HA ASN 22 8.077 7.749 -0.382
145 1HB ASN 22 2HB ASN 22 9.312 5.557 1.184
146 2HB ASN 22 1HB ASN 22 9.565 6.028 -0.497
147 1HD2 ASN 22 1HD2 ASN 22 11.268 5.507 2.019
148 2HD2 ASN 22 2HD2 ASN 22 12.405 6.816 1.991
149 H CYS 23 H CYS 23 6.748 5.942 -0.889
150 HA CYS 23 HA CYS 23 5.068 4.999 1.336
151 1HB CYS 23 2HB CYS 23 4.316 6.339 -1.171
152 2HB CYS 23 1HB CYS 23 3.403 4.866 -0.842
153 H TYR 24 H TYR 24 3.551 3.132 0.035
154 HA TYR 24 HA TYR 24 5.192 1.467 -1.634
155 1HB TYR 24 2HB TYR 24 5.276 -0.452 -0.077
156 2HB TYR 24 1HB TYR 24 6.207 0.931 0.500
157 HD1 TYR 24 1HD TYR 24 2.817 -0.604 0.825
158 HD2 TYR 24 2HD TYR 24 5.918 1.632 2.691
159 HE1 TYR 24 1HE TYR 24 1.582 -0.676 2.950
160 HE2 TYR 24 2HE TYR 24 4.692 1.566 4.821
161 HH TYR 24 HH TYR 24 2.627 -0.383 5.696
162 H LYS 25 H LYS 25 4.133 -0.811 -1.759
163 HA LYS 25 HA LYS 25 1.253 -0.785 -1.442
164 1HB LYS 25 2HB LYS 25 2.062 0.261 -3.751
165 2HB LYS 25 1HB LYS 25 2.201 -1.439 -4.194
166 1HG LYS 25 2HG LYS 25 -0.315 -0.840 -2.879
167 2HG LYS 25 1HG LYS 25 -0.069 0.111 -4.343
168 1HD LYS 25 2HD LYS 25 0.704 -2.636 -4.762
169 2HD LYS 25 1HD LYS 25 -0.954 -2.534 -4.170
170 1HE LYS 25 2HE LYS 25 -0.929 -2.467 -6.591
171 2HE LYS 25 1HE LYS 25 -1.471 -0.917 -5.948
172 1HZ LYS 25 1HZ LYS 25 0.940 -1.569 -7.432
173 2HZ LYS 25 2HZ LYS 25 1.137 -0.469 -6.163
174 3HZ LYS 25 3HZ LYS 25 0.037 -0.137 -7.404
175 H LYS 26 H LYS 26 0.674 -2.734 -0.763
176 HA LYS 26 HA LYS 26 2.332 -5.039 -1.539
177 1HB LYS 26 2HB LYS 26 1.184 -5.832 0.807
178 2HB LYS 26 1HB LYS 26 2.798 -5.166 0.652
179 1HG LYS 26 2HG LYS 26 1.999 -2.965 1.231
180 2HG LYS 26 1HG LYS 26 0.339 -3.558 1.284
181 1HD LYS 26 2HD LYS 26 0.592 -4.393 3.348
182 2HD LYS 26 1HD LYS 26 2.160 -5.101 2.960
183 1HE LYS 26 2HE LYS 26 2.985 -2.631 3.062
184 2HE LYS 26 1HE LYS 26 1.510 -2.372 3.992
185 1HZ LYS 26 1HZ LYS 26 3.542 -4.427 4.664
186 2HZ LYS 26 2HZ LYS 26 2.217 -3.954 5.603
187 3HZ LYS 26 3HZ LYS 26 3.502 -2.882 5.353
188 H TRP 27 H TRP 27 1.291 -7.042 -1.816
189 HA TRP 27 HA TRP 27 -1.569 -7.221 -1.614
190 1HB TRP 27 2HB TRP 27 -1.927 -7.788 -4.007
191 2HB TRP 27 1HB TRP 27 -1.494 -6.119 -3.751
192 HD1 TRP 27 HD TRP 27 -0.462 -9.164 -5.518
193 HE1 TRP 27 1HE TRP 27 1.614 -8.698 -6.945
194 HE3 TRP 27 3HE TRP 27 0.746 -4.568 -3.690
195 HZ2 TRP 27 2HZ TRP 27 3.530 -6.647 -7.266
196 HZ3 TRP 27 3HZ TRP 27 2.712 -3.411 -4.612
197 HH2 TRP 27 HH TRP 27 4.075 -4.429 -6.361
198 H TRP 28 H TRP 28 -2.382 -9.329 -2.369
199 HA TRP 28 HA TRP 28 -0.488 -11.466 -2.746
200 1HB TRP 28 2HB TRP 28 -1.220 -12.690 -0.676
201 2HB TRP 28 1HB TRP 28 -0.251 -11.254 -0.359
202 HD1 TRP 28 HD TRP 28 -3.749 -12.627 0.046
203 HE1 TRP 28 1HE TRP 28 -5.041 -11.078 1.604
204 HE3 TRP 28 3HE TRP 28 -0.377 -8.798 0.431
205 HZ2 TRP 28 2HZ TRP 28 -4.724 -8.582 2.866
206 HZ3 TRP 28 3HZ TRP 28 -0.956 -6.865 1.840
207 HH2 TRP 28 HH TRP 28 -3.087 -6.763 3.031
208 H SER 29 H SER 29 -1.791 -13.654 -2.418
209 HA SER 29 HA SER 29 -4.504 -13.292 -3.500
210 1HB SER 29 2HB SER 29 -2.800 -13.887 -5.279
211 2HB SER 29 1HB SER 29 -2.593 -15.435 -4.449
212 HG SER 29 HG SER 29 -4.307 -15.008 -6.269
213 H ASP 30 H ASP 30 -5.939 -14.209 -2.198
214 HA ASP 30 HA ASP 30 -5.209 -16.711 -0.833
215 1HB ASP 30 2HB ASP 30 -5.457 -14.358 0.496
216 2HB ASP 30 1HB ASP 30 -7.115 -14.954 0.583
217 H HIS 31 H HIS 31 -7.682 -17.096 0.441
218 HA HIS 31 HA HIS 31 -9.153 -18.357 -1.582
219 1HB HIS 31 2HB HIS 31 -10.847 -18.769 0.127
220 2HB HIS 31 1HB HIS 31 -9.236 -19.041 0.784
221 HD1 HIS 31 1HD HIS 31 -12.323 -17.492 1.627
222 HD2 HIS 31 2HD HIS 31 -8.323 -16.543 2.235
223 HE1 HIS 31 1HE HIS 31 -12.303 -15.849 3.531
224 HE2 HIS 31 2HE HIS 31 -9.881 -15.221 3.821
225 H ARG 32 H ARG 32 -9.589 -15.232 0.010
226 HA ARG 32 HA ARG 32 -12.077 -14.589 -1.124
227 1HB ARG 32 2HB ARG 32 -9.876 -12.695 -0.286
228 2HB ARG 32 1HB ARG 32 -11.587 -12.314 -0.454
229 1HG ARG 32 2HG ARG 32 -12.168 -13.475 1.464
230 2HG ARG 32 1HG ARG 32 -10.687 -14.434 1.448
231 1HD ARG 32 2HD ARG 32 -10.437 -12.873 3.203
232 2HD ARG 32 1HD ARG 32 -9.438 -12.281 1.875
233 HE ARG 32 HE ARG 32 -11.786 -10.993 1.500
234 1HH1 ARG 32 1HH1 ARG 32 -9.676 -11.347 4.258
235 2HH1 ARG 32 2HH1 ARG 32 -10.097 -9.811 4.936
236 1HH2 ARG 32 1HH2 ARG 32 -12.342 -8.972 2.391
237 2HH2 ARG 32 2HH2 ARG 32 -11.611 -8.462 3.876
238 H GLY 33 H GLY 33 -8.814 -14.408 -2.331
239 1HA GLY 33 2HA GLY 33 -8.897 -14.520 -4.885
240 2HA GLY 33 1HA GLY 33 -9.773 -12.997 -4.736
241 H THR 34 H THR 34 -8.661 -11.124 -4.409
242 HA THR 34 HA THR 34 -5.784 -11.281 -3.894
243 HB THR 34 HB THR 34 -6.840 -9.519 -6.094
244 HG1 THR 34 1HG THR 34 -7.290 -11.687 -6.648
245 1HG2 THR 34 1HG2 THR 34 -4.102 -10.604 -5.483
246 2HG2 THR 34 2HG2 THR 34 -4.640 -8.931 -5.335
247 3HG2 THR 34 3HG2 THR 34 -4.528 -9.684 -6.926
248 H ILE 35 H ILE 35 -5.129 -9.795 -2.474
249 HA ILE 35 HA ILE 35 -6.863 -7.450 -2.020
250 HB ILE 35 HB ILE 35 -5.235 -8.817 0.118
251 1HG1 ILE 35 2HG1 ILE 35 -8.194 -9.078 -0.469
252 2HG1 ILE 35 1HG1 ILE 35 -6.987 -10.344 -0.678
253 1HG2 ILE 35 1HG2 ILE 35 -5.759 -6.425 0.439
254 2HG2 ILE 35 2HG2 ILE 35 -6.514 -7.461 1.650
255 3HG2 ILE 35 3HG2 ILE 35 -7.475 -6.812 0.322
256 1HD1 ILE 35 1HD1 ILE 35 -7.551 -11.002 1.364
257 2HD1 ILE 35 2HD1 ILE 35 -8.412 -9.499 1.700
258 3HD1 ILE 35 3HD1 ILE 35 -6.668 -9.592 1.949
259 H ILE 36 H ILE 36 -5.844 -5.489 -1.504
260 HA ILE 36 HA ILE 36 -2.922 -5.426 -1.623
261 HB ILE 36 HB ILE 36 -2.830 -3.737 -3.310
262 1HG1 ILE 36 2HG1 ILE 36 -5.858 -3.812 -3.289
263 2HG1 ILE 36 1HG1 ILE 36 -4.840 -2.476 -2.762
264 1HG2 ILE 36 1HG2 ILE 36 -3.479 -6.307 -3.823
265 2HG2 ILE 36 2HG2 ILE 36 -3.086 -5.121 -5.066
266 3HG2 ILE 36 3HG2 ILE 36 -4.771 -5.470 -4.682
267 1HD1 ILE 36 1HD1 ILE 36 -5.039 -1.646 -4.801
268 2HD1 ILE 36 2HD1 ILE 36 -5.808 -3.121 -5.390
269 3HD1 ILE 36 3HD1 ILE 36 -4.049 -2.986 -5.377
270 H GLU 37 H GLU 37 -2.063 -4.039 -0.174
271 HA GLU 37 HA GLU 37 -3.804 -1.917 0.892
272 1HB GLU 37 2HB GLU 37 -2.059 -2.380 2.942
273 2HB GLU 37 1HB GLU 37 -3.693 -3.030 2.846
274 1HG GLU 37 2HG GLU 37 -2.900 -5.110 2.029
275 2HG GLU 37 1HG GLU 37 -1.274 -4.471 1.795
276 H ARG 38 H ARG 38 -2.533 -0.123 1.938
277 HA ARG 38 HA ARG 38 0.122 0.239 0.761
278 1HB ARG 38 2HB ARG 38 -2.062 2.314 0.525
279 2HB ARG 38 1HB ARG 38 -0.421 2.443 -0.092
280 1HG ARG 38 2HG ARG 38 -1.552 1.881 -1.992
281 2HG ARG 38 1HG ARG 38 -1.075 0.283 -1.416
282 1HD ARG 38 2HD ARG 38 -3.194 -0.332 -0.993
283 2HD ARG 38 1HD ARG 38 -3.624 1.249 -0.341
284 HE ARG 38 HE ARG 38 -3.378 1.617 -3.052
285 1HH1 ARG 38 1HH1 ARG 38 -5.314 -0.392 -0.956
286 2HH1 ARG 38 2HH1 ARG 38 -6.658 -0.453 -2.047
287 1HH2 ARG 38 1HH2 ARG 38 -5.145 1.539 -4.488
288 2HH2 ARG 38 2HH2 ARG 38 -6.562 0.643 -4.053
289 H GLY 39 H GLY 39 1.145 2.319 1.606
290 1HA GLY 39 2HA GLY 39 0.229 3.524 3.986
291 2HA GLY 39 1HA GLY 39 1.311 2.201 4.395
292 H CYS 40 H CYS 40 2.291 4.359 5.309
293 HA CYS 40 HA CYS 40 4.000 5.611 3.279
294 1HB CYS 40 2HB CYS 40 2.886 6.475 5.881
295 2HB CYS 40 1HB CYS 40 4.530 7.014 5.534
296 H GLY 41 H GLY 41 6.101 5.154 3.151
297 1HA GLY 41 2HA GLY 41 8.193 4.891 4.497
298 2HA GLY 41 1HA GLY 41 7.317 3.648 5.386
299 H CYS 42 H CYS 42 9.021 2.183 4.833
300 HA CYS 42 HA CYS 42 8.465 0.747 2.411
301 1HB CYS 42 2HB CYS 42 10.002 2.449 1.542
302 2HB CYS 42 1HB CYS 42 11.197 2.007 2.765
303 HA PRO 43 HA PRO 43 10.217 -1.665 6.024
304 1HB PRO 43 2HB PRO 43 7.989 -2.874 6.894
305 2HB PRO 43 1HB PRO 43 8.401 -1.223 7.392
306 1HG PRO 43 2HG PRO 43 6.461 -2.148 5.306
307 2HG PRO 43 1HG PRO 43 6.281 -0.857 6.513
308 1HD PRO 43 2HD PRO 43 6.961 -0.430 3.882
309 2HD PRO 43 1HD PRO 43 7.381 0.671 5.213
310 H LYS 44 H LYS 44 9.429 -4.179 6.460
311 HA LYS 44 HA LYS 44 9.655 -5.438 3.813
312 1HB LYS 44 2HB LYS 44 10.609 -6.230 6.546
313 2HB LYS 44 1HB LYS 44 10.401 -7.444 5.291
314 1HG LYS 44 2HG LYS 44 12.550 -6.963 4.856
315 2HG LYS 44 1HG LYS 44 11.846 -5.631 3.937
316 1HD LYS 44 2HD LYS 44 11.987 -4.603 6.479
317 2HD LYS 44 1HD LYS 44 13.447 -5.588 6.380
318 1HE LYS 44 2HE LYS 44 13.799 -4.424 4.102
319 2HE LYS 44 1HE LYS 44 12.628 -3.247 4.697
320 1HZ LYS 44 1HZ LYS 44 14.912 -2.575 5.154
321 2HZ LYS 44 2HZ LYS 44 15.163 -3.982 6.061
322 3HZ LYS 44 3HZ LYS 44 14.051 -2.822 6.590
323 H VAL 45 H VAL 45 8.802 -7.835 3.934
324 HA VAL 45 HA VAL 45 6.238 -7.924 5.358
325 HB VAL 45 HB VAL 45 5.243 -8.956 3.238
326 1HG1 VAL 45 1HG1 VAL 45 4.158 -7.022 3.115
327 2HG1 VAL 45 2HG1 VAL 45 5.567 -6.223 2.420
328 3HG1 VAL 45 3HG1 VAL 45 5.381 -6.317 4.171
329 1HG2 VAL 45 1HG2 VAL 45 7.071 -7.310 1.620
330 2HG2 VAL 45 2HG2 VAL 45 6.312 -8.860 1.255
331 3HG2 VAL 45 3HG2 VAL 45 7.757 -8.801 2.265
332 H LYS 46 H LYS 46 5.332 -10.074 5.518
333 HA LYS 46 HA LYS 46 7.352 -12.032 5.921
334 1HB LYS 46 2HB LYS 46 5.157 -13.438 6.476
335 2HB LYS 46 1HB LYS 46 5.870 -12.307 7.616
336 1HG LYS 46 2HG LYS 46 4.281 -10.619 7.024
337 2HG LYS 46 1HG LYS 46 3.627 -11.625 5.731
338 1HD LYS 46 2HD LYS 46 3.065 -13.325 7.522
339 2HD LYS 46 1HD LYS 46 3.448 -12.070 8.703
340 1HE LYS 46 2HE LYS 46 1.781 -10.661 7.214
341 2HE LYS 46 1HE LYS 46 1.175 -12.261 6.792
342 1HZ LYS 46 1HZ LYS 46 1.589 -11.763 9.624
343 2HZ LYS 46 2HZ LYS 46 0.333 -12.580 8.841
344 3HZ LYS 46 3HZ LYS 46 0.333 -10.890 8.900
345 HA PRO 47 HA PRO 47 7.540 -14.165 2.069
346 1HB PRO 47 2HB PRO 47 6.978 -16.599 3.653
347 2HB PRO 47 1HB PRO 47 8.321 -16.239 2.578
348 1HG PRO 47 2HG PRO 47 8.356 -16.154 5.352
349 2HG PRO 47 1HG PRO 47 9.592 -15.519 4.262
350 1HD PRO 47 2HD PRO 47 7.885 -14.048 5.973
351 2HD PRO 47 1HD PRO 47 9.010 -13.416 4.755
352 H GLY 48 H GLY 48 6.018 -14.466 0.562
353 1HA GLY 48 2HA GLY 48 4.080 -15.688 -0.226
354 2HA GLY 48 1HA GLY 48 3.409 -15.564 1.400
355 H VAL 49 H VAL 49 4.244 -12.726 1.610
356 HA VAL 49 HA VAL 49 2.027 -11.599 0.049
357 HB VAL 49 HB VAL 49 3.436 -10.377 2.425
358 1HG1 VAL 49 1HG1 VAL 49 1.523 -9.372 0.535
359 2HG1 VAL 49 2HG1 VAL 49 2.325 -8.537 1.864
360 3HG1 VAL 49 3HG1 VAL 49 0.817 -9.406 2.151
361 1HG2 VAL 49 1HG2 VAL 49 0.985 -11.015 3.347
362 2HG2 VAL 49 2HG2 VAL 49 2.404 -12.044 3.542
363 3HG2 VAL 49 3HG2 VAL 49 1.260 -12.356 2.237
364 H ASN 50 H ASN 50 2.387 -10.178 -1.536
365 HA ASN 50 HA ASN 50 5.120 -9.437 -2.157
366 1HB ASN 50 2HB ASN 50 2.791 -8.452 -3.753
367 2HB ASN 50 1HB ASN 50 4.392 -8.951 -4.299
368 1HD2 ASN 50 1HD2 ASN 50 1.168 -9.864 -3.835
369 2HD2 ASN 50 2HD2 ASN 50 1.327 -11.541 -4.258
370 H LEU 51 H LEU 51 5.855 -7.306 -2.431
371 HA LEU 51 HA LEU 51 4.214 -5.067 -1.717
372 1HB LEU 51 2HB LEU 51 4.681 -5.851 0.501
373 2HB LEU 51 1HB LEU 51 6.385 -6.037 0.132
374 HG LEU 51 HG LEU 51 6.312 -3.461 -0.277
375 1HD1 LEU 51 1HD1 LEU 51 3.756 -3.552 -0.013
376 2HD1 LEU 51 2HD1 LEU 51 4.640 -2.244 0.774
377 3HD1 LEU 51 3HD1 LEU 51 4.088 -3.629 1.717
378 1HD2 LEU 51 1HD2 LEU 51 7.231 -5.000 1.701
379 2HD2 LEU 51 2HD2 LEU 51 6.015 -4.087 2.597
380 3HD2 LEU 51 3HD2 LEU 51 7.305 -3.238 1.745
381 H ASN 52 H ASN 52 5.170 -3.079 -2.257
382 HA ASN 52 HA ASN 52 7.929 -3.021 -3.127
383 1HB ASN 52 2HB ASN 52 7.632 -2.715 -5.392
384 2HB ASN 52 1HB ASN 52 6.348 -3.865 -5.048
385 1HD2 ASN 52 1HD2 ASN 52 4.333 -2.439 -4.092
386 2HD2 ASN 52 2HD2 ASN 52 3.820 -1.232 -5.216
387 H CYS 53 H CYS 53 8.794 -1.132 -2.568
388 HA CYS 53 HA CYS 53 7.097 1.014 -1.672
389 1HB CYS 53 2HB CYS 53 10.096 1.127 -1.867
390 2HB CYS 53 1HB CYS 53 9.030 1.961 -0.741
391 H CYS 54 H CYS 54 7.343 3.220 -2.388
392 HA CYS 54 HA CYS 54 8.692 3.813 -4.850
393 1HB CYS 54 2HB CYS 54 6.440 4.589 -5.906
394 2HB CYS 54 1HB CYS 54 6.920 2.898 -6.038
395 H ARG 55 H ARG 55 8.616 5.947 -5.447
396 HA ARG 55 HA ARG 55 7.825 7.745 -3.275
397 1HB ARG 55 2HB ARG 55 9.907 8.806 -4.926
398 2HB ARG 55 1HB ARG 55 9.923 8.454 -3.207
399 1HG ARG 55 2HG ARG 55 10.577 6.158 -3.678
400 2HG ARG 55 1HG ARG 55 10.550 6.507 -5.409
401 1HD ARG 55 2HD ARG 55 12.263 8.039 -3.470
402 2HD ARG 55 1HD ARG 55 12.816 6.562 -4.262
403 HE ARG 55 HE ARG 55 11.843 8.288 -6.221
404 1HH1 ARG 55 1HH1 ARG 55 14.479 8.114 -3.943
405 2HH1 ARG 55 2HH1 ARG 55 15.556 9.053 -4.923
406 1HH2 ARG 55 1HH2 ARG 55 13.258 9.524 -7.514
407 2HH2 ARG 55 2HH2 ARG 55 14.862 9.853 -6.950
408 H THR 56 H THR 56 6.133 7.051 -5.486
409 HA THR 56 HA THR 56 6.039 9.633 -6.904
410 HB THR 56 HB THR 56 4.608 7.366 -8.130
411 HG1 THR 56 1HG THR 56 7.418 7.382 -7.855
412 1HG2 THR 56 1HG2 THR 56 5.041 9.691 -9.117
413 2HG2 THR 56 2HG2 THR 56 5.277 8.279 -10.148
414 3HG2 THR 56 3HG2 THR 56 6.670 9.092 -9.432
415 H ASP 57 H ASP 57 4.000 10.579 -7.237
416 HA ASP 57 HA ASP 57 2.185 10.329 -5.113
417 1HB ASP 57 2HB ASP 57 2.444 12.391 -6.432
418 2HB ASP 57 1HB ASP 57 1.742 11.581 -7.834
419 H ARG 58 H ARG 58 0.582 8.948 -4.750
420 HA ARG 58 HA ARG 58 -0.927 7.269 -5.023
421 1HB ARG 58 2HB ARG 58 -1.159 8.548 -7.751
422 2HB ARG 58 1HB ARG 58 -2.245 7.292 -7.156
423 1HG ARG 58 2HG ARG 58 -2.792 8.815 -5.239
424 2HG ARG 58 1HG ARG 58 -1.884 10.074 -6.077
425 1HD ARG 58 2HD ARG 58 -3.393 10.098 -7.887
426 2HD ARG 58 1HD ARG 58 -4.132 8.576 -7.393
427 HE ARG 58 HE ARG 58 -4.407 10.690 -5.460
428 1HH1 ARG 58 1HH1 ARG 58 -5.788 9.204 -8.299
429 2HH1 ARG 58 2HH1 ARG 58 -7.386 9.792 -7.983
430 1HH2 ARG 58 1HH2 ARG 58 -6.506 11.465 -5.043
431 2HH2 ARG 58 2HH2 ARG 58 -7.794 11.078 -6.135
432 H CYS 59 H CYS 59 1.906 6.823 -5.700
433 HA CYS 59 HA CYS 59 2.197 5.177 -7.944
434 1HB CYS 59 2HB CYS 59 4.277 4.485 -6.957
435 2HB CYS 59 1HB CYS 59 4.051 6.199 -6.616
436 H ASN 60 H ASN 60 1.079 4.520 -4.690
437 HA ASN 60 HA ASN 60 0.926 1.652 -5.248
438 1HB ASN 60 2HB ASN 60 0.227 1.521 -2.825
439 2HB ASN 60 1HB ASN 60 1.856 2.145 -3.105
440 1HD2 ASN 60 1HD2 ASN 60 1.924 3.224 -1.157
441 2HD2 ASN 60 2HD2 ASN 60 0.996 4.659 -0.852
442 H ASN 61 H ASN 61 -0.848 3.741 -6.479
443 HA ASN 61 HA ASN 61 -3.415 3.620 -5.361
444 1HB ASN 61 2HB ASN 61 -4.184 4.432 -7.522
445 2HB ASN 61 1HB ASN 61 -2.715 5.275 -7.053
446 1HD2 ASN 61 1HD2 ASN 61 -4.248 3.956 -9.581
447 2HD2 ASN 61 2HD2 ASN 61 -2.892 3.527 -10.576
Start of MODEL 3
1 1H LEU 1 1HT LEU 1 4.200 14.371 1.125
2 2H LEU 1 2HT LEU 1 3.767 15.549 -0.047
3 3H LEU 1 3HT LEU 1 5.304 14.789 -0.119
4 HA LEU 1 HA LEU 1 3.605 14.002 -1.724
5 1HB LEU 1 2HB LEU 1 5.716 12.831 -0.621
6 2HB LEU 1 1HB LEU 1 4.489 11.768 0.041
7 HG LEU 1 HG LEU 1 4.427 12.283 -2.888
8 1HD1 LEU 1 1HD1 LEU 1 6.038 10.349 -3.154
9 2HD1 LEU 1 2HD1 LEU 1 6.512 10.638 -1.480
10 3HD1 LEU 1 3HD1 LEU 1 6.744 11.898 -2.693
11 1HD2 LEU 1 1HD2 LEU 1 2.948 10.743 -1.256
12 2HD2 LEU 1 2HD2 LEU 1 4.204 9.589 -1.705
13 3HD2 LEU 1 3HD2 LEU 1 3.234 10.366 -2.955
14 H GLU 2 H GLU 2 1.640 13.091 -2.057
15 HA GLU 2 HA GLU 2 0.085 12.339 0.332
16 1HB GLU 2 2HB GLU 2 -0.690 13.935 -2.088
17 2HB GLU 2 1HB GLU 2 -1.910 13.052 -1.181
18 1HG GLU 2 2HG GLU 2 -1.841 14.474 0.562
19 2HG GLU 2 1HG GLU 2 -0.106 14.749 0.409
20 H CYS 3 H CYS 3 0.304 10.146 0.236
21 HA CYS 3 HA CYS 3 0.026 8.698 -2.225
22 1HB CYS 3 2HB CYS 3 0.017 7.573 0.576
23 2HB CYS 3 1HB CYS 3 0.460 6.755 -0.919
24 H HIS 4 H HIS 4 -1.428 6.483 -1.528
25 HA HIS 4 HA HIS 4 -4.143 7.583 -1.455
26 1HB HIS 4 2HB HIS 4 -2.931 5.096 -2.604
27 2HB HIS 4 1HB HIS 4 -4.653 5.124 -2.220
28 HD1 HIS 4 1HD HIS 4 -5.522 7.822 -3.188
29 HD2 HIS 4 2HD HIS 4 -2.809 5.470 -5.281
30 HE1 HIS 4 1HE HIS 4 -5.631 8.626 -5.566
31 HE2 HIS 4 2HE HIS 4 -4.084 7.097 -6.836
32 H ASN 5 H ASN 5 -2.028 5.280 0.130
33 HA ASN 5 HA ASN 5 -2.291 3.936 1.962
34 1HB ASN 5 2HB ASN 5 -3.006 5.127 3.956
35 2HB ASN 5 1HB ASN 5 -2.029 6.193 2.943
36 1HD2 ASN 5 1HD2 ASN 5 -5.200 5.505 4.174
37 2HD2 ASN 5 2HD2 ASN 5 -5.926 7.015 3.719
38 H GLN 6 H GLN 6 -4.380 3.632 -0.052
39 HA GLN 6 HA GLN 6 -6.787 3.114 1.508
40 1HB GLN 6 2HB GLN 6 -7.848 2.626 -0.624
41 2HB GLN 6 1HB GLN 6 -6.995 4.162 -0.714
42 1HG GLN 6 2HG GLN 6 -5.060 2.657 -1.657
43 2HG GLN 6 1HG GLN 6 -6.396 1.574 -2.045
44 1HE2 GLN 6 1HE2 GLN 6 -6.071 1.842 -4.254
45 2HE2 GLN 6 2HE2 GLN 6 -6.519 3.303 -5.079
46 H GLN 7 H GLN 7 -7.303 1.179 2.297
47 HA GLN 7 HA GLN 7 -5.704 -1.134 1.449
48 1HB GLN 7 2HB GLN 7 -6.838 -2.044 3.678
49 2HB GLN 7 1HB GLN 7 -5.355 -1.105 3.704
50 1HG GLN 7 2HG GLN 7 -7.999 0.263 3.932
51 2HG GLN 7 1HG GLN 7 -7.286 -0.534 5.334
52 1HE2 GLN 7 1HE2 GLN 7 -4.870 0.034 5.594
53 2HE2 GLN 7 2HE2 GLN 7 -4.493 1.725 5.477
54 H SER 8 H SER 8 -6.728 -3.162 1.129
55 HA SER 8 HA SER 8 -8.317 -4.537 0.260
56 1HB SER 8 2HB SER 8 -10.365 -2.821 1.670
57 2HB SER 8 1HB SER 8 -10.472 -4.541 1.276
58 HG SER 8 HG SER 8 -8.614 -3.389 3.090
59 H SER 9 H SER 9 -10.925 -4.083 -0.618
60 HA SER 9 HA SER 9 -10.392 -2.409 -2.954
61 1HB SER 9 2HB SER 9 -12.625 -4.390 -2.450
62 2HB SER 9 1HB SER 9 -12.311 -3.557 -3.972
63 HG SER 9 HG SER 9 -10.605 -5.407 -2.659
64 H GLN 10 H GLN 10 -11.106 -1.309 -0.290
65 HA GLN 10 HA GLN 10 -13.796 -0.390 -0.387
66 1HB GLN 10 2HB GLN 10 -11.391 0.170 1.262
67 2HB GLN 10 1HB GLN 10 -12.662 1.393 1.254
68 1HG GLN 10 2HG GLN 10 -13.673 -1.305 1.619
69 2HG GLN 10 1HG GLN 10 -12.533 -0.817 2.874
70 1HE2 GLN 10 1HE2 GLN 10 -14.139 -0.764 4.441
71 2HE2 GLN 10 2HE2 GLN 10 -15.332 0.497 4.499
72 H ALA 11 H ALA 11 -13.906 2.229 -0.046
73 HA ALA 11 HA ALA 11 -13.475 3.270 -2.665
74 1HB ALA 11 1HB ALA 11 -14.892 4.924 -2.067
75 2HB ALA 11 2HB ALA 11 -14.137 5.148 -0.489
76 3HB ALA 11 3HB ALA 11 -15.269 3.820 -0.745
77 HA PRO 12 HA PRO 12 -9.138 4.376 -2.074
78 1HB PRO 12 2HB PRO 12 -10.075 6.202 -4.264
79 2HB PRO 12 1HB PRO 12 -8.549 5.315 -4.120
80 1HG PRO 12 2HG PRO 12 -10.449 4.342 -5.662
81 2HG PRO 12 1HG PRO 12 -9.554 3.259 -4.569
82 1HD PRO 12 2HD PRO 12 -12.332 4.327 -4.317
83 2HD PRO 12 1HD PRO 12 -11.676 2.748 -3.829
84 H THR 13 H THR 13 -7.950 6.291 -1.490
85 HA THR 13 HA THR 13 -9.329 8.759 -0.984
86 HB THR 13 HB THR 13 -8.172 7.654 1.510
87 HG1 THR 13 1HG THR 13 -9.380 5.939 1.359
88 1HG2 THR 13 1HG2 THR 13 -9.852 8.881 2.596
89 2HG2 THR 13 2HG2 THR 13 -10.800 9.043 1.117
90 3HG2 THR 13 3HG2 THR 13 -9.274 9.912 1.285
91 H THR 14 H THR 14 -7.889 10.423 -0.117
92 HA THR 14 HA THR 14 -5.038 9.771 -0.463
93 HB THR 14 HB THR 14 -4.649 11.711 -1.748
94 HG1 THR 14 1HG THR 14 -5.923 13.420 -1.757
95 1HG2 THR 14 1HG2 THR 14 -5.786 9.953 -3.048
96 2HG2 THR 14 2HG2 THR 14 -6.086 11.580 -3.661
97 3HG2 THR 14 3HG2 THR 14 -7.325 10.750 -2.720
98 H LYS 15 H LYS 15 -3.923 10.199 1.314
99 HA LYS 15 HA LYS 15 -4.679 12.525 2.941
100 1HB LYS 15 2HB LYS 15 -5.190 9.934 3.729
101 2HB LYS 15 1HB LYS 15 -3.650 10.274 4.506
102 1HG LYS 15 2HG LYS 15 -5.283 10.874 6.072
103 2HG LYS 15 1HG LYS 15 -4.725 12.399 5.380
104 1HD LYS 15 2HD LYS 15 -6.673 12.682 4.130
105 2HD LYS 15 1HD LYS 15 -7.111 10.977 4.252
106 1HE LYS 15 2HE LYS 15 -8.555 11.790 5.798
107 2HE LYS 15 1HE LYS 15 -7.149 11.601 6.845
108 1HZ LYS 15 1HZ LYS 15 -8.208 13.772 7.099
109 2HZ LYS 15 2HZ LYS 15 -7.925 14.116 5.468
110 3HZ LYS 15 3HZ LYS 15 -6.622 13.923 6.528
111 H THR 16 H THR 16 -2.793 12.426 4.875
112 HA THR 16 HA THR 16 -0.211 12.226 3.491
113 HB THR 16 HB THR 16 -1.019 14.584 5.199
114 HG1 THR 16 1HG THR 16 -1.532 15.621 3.415
115 1HG2 THR 16 1HG2 THR 16 1.007 15.465 3.681
116 2HG2 THR 16 2HG2 THR 16 1.488 13.782 3.889
117 3HG2 THR 16 3HG2 THR 16 1.212 14.801 5.302
118 H CYS 17 H CYS 17 1.619 12.015 4.886
119 HA CYS 17 HA CYS 17 0.907 10.981 7.551
120 1HB CYS 17 2HB CYS 17 3.390 10.302 5.969
121 2HB CYS 17 1HB CYS 17 2.776 9.491 7.412
122 H SER 18 H SER 18 2.708 11.157 9.180
123 HA SER 18 HA SER 18 3.418 13.868 9.520
124 1HB SER 18 2HB SER 18 5.037 12.617 11.293
125 2HB SER 18 1HB SER 18 3.321 12.905 11.581
126 HG SER 18 HG SER 18 4.653 10.540 10.942
127 H GLY 19 H GLY 19 5.649 11.090 9.297
128 1HA GLY 19 2HA GLY 19 7.719 12.889 8.285
129 2HA GLY 19 1HA GLY 19 7.952 11.224 8.818
130 H GLU 20 H GLU 20 6.230 13.040 6.279
131 HA GLU 20 HA GLU 20 5.988 10.938 4.463
132 1HB GLU 20 2HB GLU 20 5.892 13.902 4.296
133 2HB GLU 20 1HB GLU 20 6.113 13.026 2.783
134 1HG GLU 20 2HG GLU 20 3.883 12.494 4.733
135 2HG GLU 20 1HG GLU 20 3.750 13.563 3.337
136 H THR 21 H THR 21 7.331 9.975 3.074
137 HA THR 21 HA THR 21 9.713 11.240 2.095
138 HB THR 21 HB THR 21 10.928 8.988 3.048
139 HG1 THR 21 1HG THR 21 10.358 8.900 5.267
140 1HG2 THR 21 1HG2 THR 21 11.035 11.796 3.633
141 2HG2 THR 21 2HG2 THR 21 12.325 10.593 3.641
142 3HG2 THR 21 3HG2 THR 21 11.341 10.840 5.083
143 H ASN 22 H ASN 22 8.238 8.060 2.631
144 HA ASN 22 HA ASN 22 8.071 7.623 -0.227
145 1HB ASN 22 2HB ASN 22 9.292 5.300 1.116
146 2HB ASN 22 1HB ASN 22 9.612 5.982 -0.480
147 1HD2 ASN 22 1HD2 ASN 22 10.844 5.460 2.538
148 2HD2 ASN 22 2HD2 ASN 22 12.139 6.615 2.515
149 H CYS 23 H CYS 23 6.652 5.918 -0.798
150 HA CYS 23 HA CYS 23 5.047 4.867 1.434
151 1HB CYS 23 2HB CYS 23 4.241 6.304 -1.014
152 2HB CYS 23 1HB CYS 23 3.293 4.863 -0.651
153 H TYR 24 H TYR 24 3.479 3.078 0.188
154 HA TYR 24 HA TYR 24 4.949 1.482 -1.687
155 1HB TYR 24 2HB TYR 24 5.206 -0.493 -0.246
156 2HB TYR 24 1HB TYR 24 6.150 0.875 0.344
157 HD1 TYR 24 1HD TYR 24 5.999 1.466 2.578
158 HD2 TYR 24 2HD TYR 24 2.839 -0.786 0.836
159 HE1 TYR 24 1HE TYR 24 4.945 1.250 4.788
160 HE2 TYR 24 2HE TYR 24 1.774 -1.006 3.041
161 HH TYR 24 HH TYR 24 1.748 0.044 5.189
162 H LYS 25 H LYS 25 3.856 -0.836 -1.697
163 HA LYS 25 HA LYS 25 1.030 -0.806 -1.124
164 1HB LYS 25 2HB LYS 25 1.414 0.407 -3.382
165 2HB LYS 25 1HB LYS 25 1.805 -1.195 -4.007
166 1HG LYS 25 2HG LYS 25 -0.468 -1.890 -3.010
167 2HG LYS 25 1HG LYS 25 -0.806 -0.158 -2.990
168 1HD LYS 25 2HD LYS 25 -0.714 0.014 -5.304
169 2HD LYS 25 1HD LYS 25 0.235 -1.463 -5.475
170 1HE LYS 25 2HE LYS 25 -2.251 -2.112 -4.240
171 2HE LYS 25 1HE LYS 25 -2.572 -1.137 -5.672
172 1HZ LYS 25 1HZ LYS 25 -0.840 -3.545 -5.660
173 2HZ LYS 25 2HZ LYS 25 -1.352 -2.668 -7.011
174 3HZ LYS 25 3HZ LYS 25 -2.472 -3.554 -6.106
175 H LYS 26 H LYS 26 0.535 -2.798 -0.486
176 HA LYS 26 HA LYS 26 2.146 -5.022 -1.551
177 1HB LYS 26 2HB LYS 26 1.458 -6.170 0.650
178 2HB LYS 26 1HB LYS 26 2.730 -4.971 0.685
179 1HG LYS 26 2HG LYS 26 0.269 -3.637 1.125
180 2HG LYS 26 1HG LYS 26 0.331 -5.051 2.177
181 1HD LYS 26 2HD LYS 26 2.725 -4.241 2.728
182 2HD LYS 26 1HD LYS 26 2.181 -2.700 2.061
183 1HE LYS 26 2HE LYS 26 0.535 -2.441 3.712
184 2HE LYS 26 1HE LYS 26 0.616 -4.139 4.179
185 1HZ LYS 26 1HZ LYS 26 3.128 -3.296 4.650
186 2HZ LYS 26 2HZ LYS 26 1.908 -3.383 5.819
187 3HZ LYS 26 3HZ LYS 26 2.233 -1.915 5.046
188 H TRP 27 H TRP 27 1.120 -7.062 -1.722
189 HA TRP 27 HA TRP 27 -1.724 -7.263 -1.464
190 1HB TRP 27 2HB TRP 27 -2.138 -7.783 -3.875
191 2HB TRP 27 1HB TRP 27 -1.774 -6.110 -3.552
192 HD1 TRP 27 HD TRP 27 -0.593 -9.058 -5.412
193 HE1 TRP 27 1HE TRP 27 1.390 -8.417 -6.903
194 HE3 TRP 27 3HE TRP 27 0.303 -4.380 -3.590
195 HZ2 TRP 27 2HZ TRP 27 3.120 -6.215 -7.271
196 HZ3 TRP 27 3HZ TRP 27 2.132 -3.069 -4.569
197 HH2 TRP 27 HH TRP 27 3.514 -3.964 -6.370
198 H TRP 28 H TRP 28 -2.554 -9.355 -2.199
199 HA TRP 28 HA TRP 28 -0.669 -11.476 -2.705
200 1HB TRP 28 2HB TRP 28 -1.282 -12.725 -0.609
201 2HB TRP 28 1HB TRP 28 -0.317 -11.279 -0.326
202 HD1 TRP 28 HD TRP 28 -3.777 -12.696 0.233
203 HE1 TRP 28 1HE TRP 28 -5.011 -11.171 1.862
204 HE3 TRP 28 3HE TRP 28 -0.430 -8.835 0.484
205 HZ2 TRP 28 2HZ TRP 28 -4.659 -8.676 3.120
206 HZ3 TRP 28 3HZ TRP 28 -0.961 -6.915 1.930
207 HH2 TRP 28 HH TRP 28 -3.035 -6.841 3.219
208 H SER 29 H SER 29 -2.014 -13.678 -2.196
209 HA SER 29 HA SER 29 -4.808 -13.370 -2.960
210 1HB SER 29 2HB SER 29 -2.708 -14.678 -4.676
211 2HB SER 29 1HB SER 29 -4.399 -15.190 -4.762
212 HG SER 29 HG SER 29 -3.614 -12.483 -5.023
213 H ASP 30 H ASP 30 -5.756 -14.469 -1.360
214 HA ASP 30 HA ASP 30 -4.859 -17.221 -0.869
215 1HB ASP 30 2HB ASP 30 -4.338 -15.241 0.915
216 2HB ASP 30 1HB ASP 30 -5.914 -15.790 1.489
217 H HIS 31 H HIS 31 -6.750 -17.798 1.133
218 HA HIS 31 HA HIS 31 -8.959 -18.575 -0.365
219 1HB HIS 31 2HB HIS 31 -10.060 -18.906 1.910
220 2HB HIS 31 1HB HIS 31 -8.536 -19.746 1.647
221 HD1 HIS 31 1HD HIS 31 -7.194 -19.691 3.711
222 HD2 HIS 31 2HD HIS 31 -9.294 -16.149 3.151
223 HE1 HIS 31 1HE HIS 31 -6.552 -18.216 5.644
224 HE2 HIS 31 2HE HIS 31 -7.760 -16.043 5.231
225 H ARG 32 H ARG 32 -8.282 -15.550 1.162
226 HA ARG 32 HA ARG 32 -11.062 -14.682 0.978
227 1HB ARG 32 2HB ARG 32 -8.637 -13.735 2.382
228 2HB ARG 32 1HB ARG 32 -9.732 -12.476 1.814
229 1HG ARG 32 2HG ARG 32 -11.513 -14.098 2.969
230 2HG ARG 32 1HG ARG 32 -10.093 -14.496 3.939
231 1HD ARG 32 2HD ARG 32 -11.042 -11.681 3.437
232 2HD ARG 32 1HD ARG 32 -11.517 -12.635 4.841
233 HE ARG 32 HE ARG 32 -8.815 -12.742 4.904
234 1HH1 ARG 32 1HH1 ARG 32 -11.096 -10.111 4.689
235 2HH1 ARG 32 2HH1 ARG 32 -10.068 -8.987 5.513
236 1HH2 ARG 32 1HH2 ARG 32 -7.462 -11.265 5.989
237 2HH2 ARG 32 2HH2 ARG 32 -8.004 -9.642 6.250
238 H GLY 33 H GLY 33 -9.185 -15.201 -1.372
239 1HA GLY 33 2HA GLY 33 -9.091 -14.320 -3.502
240 2HA GLY 33 1HA GLY 33 -10.069 -12.968 -2.936
241 H THR 34 H THR 34 -8.596 -11.767 -4.388
242 HA THR 34 HA THR 34 -5.881 -11.396 -3.431
243 HB THR 34 HB THR 34 -7.269 -9.873 -5.636
244 HG1 THR 34 1HG THR 34 -5.875 -12.338 -5.781
245 1HG2 THR 34 1HG2 THR 34 -5.299 -9.004 -6.162
246 2HG2 THR 34 2HG2 THR 34 -4.480 -10.557 -5.997
247 3HG2 THR 34 3HG2 THR 34 -4.751 -9.547 -4.577
248 H ILE 35 H ILE 35 -5.150 -9.718 -2.254
249 HA ILE 35 HA ILE 35 -6.996 -7.480 -1.739
250 HB ILE 35 HB ILE 35 -5.240 -8.721 0.378
251 1HG1 ILE 35 2HG1 ILE 35 -8.223 -9.037 -0.038
252 2HG1 ILE 35 1HG1 ILE 35 -7.015 -10.290 -0.309
253 1HG2 ILE 35 1HG2 ILE 35 -7.060 -7.371 1.750
254 2HG2 ILE 35 2HG2 ILE 35 -7.115 -6.423 0.265
255 3HG2 ILE 35 3HG2 ILE 35 -5.595 -6.604 1.140
256 1HD1 ILE 35 1HD1 ILE 35 -7.234 -10.914 1.796
257 2HD1 ILE 35 2HD1 ILE 35 -8.375 -9.601 2.087
258 3HD1 ILE 35 3HD1 ILE 35 -6.647 -9.336 2.317
259 H ILE 36 H ILE 36 -5.999 -5.480 -1.180
260 HA ILE 36 HA ILE 36 -3.101 -5.309 -1.565
261 HB ILE 36 HB ILE 36 -3.337 -3.414 -3.113
262 1HG1 ILE 36 2HG1 ILE 36 -6.282 -4.108 -3.006
263 2HG1 ILE 36 1HG1 ILE 36 -5.534 -2.605 -2.476
264 1HG2 ILE 36 1HG2 ILE 36 -3.128 -4.881 -4.764
265 2HG2 ILE 36 2HG2 ILE 36 -4.855 -5.235 -4.722
266 3HG2 ILE 36 3HG2 ILE 36 -3.745 -6.134 -3.689
267 1HD1 ILE 36 1HD1 ILE 36 -4.730 -2.612 -5.024
268 2HD1 ILE 36 2HD1 ILE 36 -6.254 -1.904 -4.488
269 3HD1 ILE 36 3HD1 ILE 36 -6.231 -3.524 -5.185
270 H GLU 37 H GLU 37 -2.178 -3.954 -0.096
271 HA GLU 37 HA GLU 37 -3.879 -1.875 1.099
272 1HB GLU 37 2HB GLU 37 -2.132 -2.451 3.115
273 2HB GLU 37 1HB GLU 37 -3.788 -3.046 3.010
274 1HG GLU 37 2HG GLU 37 -3.115 -5.132 2.265
275 2HG GLU 37 1HG GLU 37 -1.526 -4.556 1.768
276 H ARG 38 H ARG 38 -2.426 -0.284 2.402
277 HA ARG 38 HA ARG 38 0.150 0.155 1.092
278 1HB ARG 38 2HB ARG 38 -2.122 2.144 1.108
279 2HB ARG 38 1HB ARG 38 -0.457 2.575 0.746
280 1HG ARG 38 2HG ARG 38 -0.521 1.661 -1.310
281 2HG ARG 38 1HG ARG 38 -1.585 0.344 -0.814
282 1HD ARG 38 2HD ARG 38 -3.440 2.029 -0.675
283 2HD ARG 38 1HD ARG 38 -2.347 3.194 -1.421
284 HE ARG 38 HE ARG 38 -2.787 2.218 -3.430
285 1HH1 ARG 38 1HH1 ARG 38 -3.526 -0.087 -0.916
286 2HH1 ARG 38 2HH1 ARG 38 -4.164 -1.264 -2.011
287 1HH2 ARG 38 1HH2 ARG 38 -3.630 0.671 -4.871
288 2HH2 ARG 38 2HH2 ARG 38 -4.224 -0.836 -4.257
289 H GLY 39 H GLY 39 0.995 2.434 2.074
290 1HA GLY 39 2HA GLY 39 0.294 2.899 4.812
291 2HA GLY 39 1HA GLY 39 1.777 1.969 4.663
292 H CYS 40 H CYS 40 3.402 3.317 5.118
293 HA CYS 40 HA CYS 40 3.904 5.547 3.379
294 1HB CYS 40 2HB CYS 40 2.480 6.069 5.752
295 2HB CYS 40 1HB CYS 40 4.132 6.612 6.056
296 H GLY 41 H GLY 41 5.640 3.962 3.049
297 1HA GLY 41 2HA GLY 41 8.074 4.758 4.043
298 2HA GLY 41 1HA GLY 41 7.551 3.463 5.120
299 H CYS 42 H CYS 42 8.983 1.889 4.558
300 HA CYS 42 HA CYS 42 8.495 0.527 2.079
301 1HB CYS 42 2HB CYS 42 10.110 2.228 1.333
302 2HB CYS 42 1HB CYS 42 11.251 1.682 2.565
303 HA PRO 43 HA PRO 43 9.914 -2.114 5.625
304 1HB PRO 43 2HB PRO 43 7.679 -3.553 5.964
305 2HB PRO 43 1HB PRO 43 7.850 -1.934 6.662
306 1HG PRO 43 2HG PRO 43 6.401 -2.789 4.184
307 2HG PRO 43 1HG PRO 43 5.899 -1.633 5.436
308 1HD PRO 43 2HD PRO 43 7.002 -0.915 3.018
309 2HD PRO 43 1HD PRO 43 7.076 0.084 4.488
310 H LYS 44 H LYS 44 9.727 -4.622 5.727
311 HA LYS 44 HA LYS 44 10.534 -5.616 3.134
312 1HB LYS 44 2HB LYS 44 11.366 -6.154 5.677
313 2HB LYS 44 1HB LYS 44 10.321 -7.533 5.360
314 1HG LYS 44 2HG LYS 44 11.703 -7.596 3.104
315 2HG LYS 44 1HG LYS 44 12.897 -6.772 4.108
316 1HD LYS 44 2HD LYS 44 12.985 -8.571 5.644
317 2HD LYS 44 1HD LYS 44 11.539 -9.319 4.960
318 1HE LYS 44 2HE LYS 44 13.130 -9.235 2.780
319 2HE LYS 44 1HE LYS 44 14.341 -9.412 4.048
320 1HZ LYS 44 1HZ LYS 44 12.259 -11.278 3.190
321 2HZ LYS 44 2HZ LYS 44 12.674 -11.271 4.830
322 3HZ LYS 44 3HZ LYS 44 13.857 -11.582 3.660
323 H VAL 45 H VAL 45 9.754 -7.830 2.453
324 HA VAL 45 HA VAL 45 6.860 -7.769 2.355
325 HB VAL 45 HB VAL 45 7.091 -9.646 0.755
326 1HG1 VAL 45 1HG1 VAL 45 8.191 -6.965 0.428
327 2HG1 VAL 45 2HG1 VAL 45 7.073 -7.864 -0.595
328 3HG1 VAL 45 3HG1 VAL 45 8.810 -8.121 -0.750
329 1HG2 VAL 45 1HG2 VAL 45 9.441 -10.181 1.964
330 2HG2 VAL 45 2HG2 VAL 45 10.010 -9.299 0.547
331 3HG2 VAL 45 3HG2 VAL 45 9.020 -10.744 0.346
332 H LYS 46 H LYS 46 5.500 -9.489 2.947
333 HA LYS 46 HA LYS 46 6.564 -11.150 5.061
334 1HB LYS 46 2HB LYS 46 3.892 -9.981 4.491
335 2HB LYS 46 1HB LYS 46 3.958 -11.487 5.394
336 1HG LYS 46 2HG LYS 46 5.746 -9.327 6.314
337 2HG LYS 46 1HG LYS 46 4.015 -9.077 6.545
338 1HD LYS 46 2HD LYS 46 5.431 -11.592 7.398
339 2HD LYS 46 1HD LYS 46 5.248 -10.191 8.455
340 1HE LYS 46 2HE LYS 46 2.932 -11.573 7.116
341 2HE LYS 46 1HE LYS 46 3.513 -11.999 8.725
342 1HZ LYS 46 1HZ LYS 46 2.962 -9.181 8.258
343 2HZ LYS 46 2HZ LYS 46 2.662 -10.132 9.625
344 3HZ LYS 46 3HZ LYS 46 1.614 -10.205 8.298
345 HA PRO 47 HA PRO 47 6.616 -14.957 2.830
346 1HB PRO 47 2HB PRO 47 4.851 -15.997 4.961
347 2HB PRO 47 1HB PRO 47 6.413 -16.581 4.407
348 1HG PRO 47 2HG PRO 47 5.921 -15.084 6.693
349 2HG PRO 47 1HG PRO 47 7.497 -15.437 5.981
350 1HD PRO 47 2HD PRO 47 6.217 -12.923 6.165
351 2HD PRO 47 1HD PRO 47 7.715 -13.318 5.299
352 H GLY 48 H GLY 48 5.434 -15.236 1.045
353 1HA GLY 48 2HA GLY 48 3.624 -15.767 -0.281
354 2HA GLY 48 1HA GLY 48 2.672 -15.968 1.186
355 H VAL 49 H VAL 49 4.244 -12.951 0.977
356 HA VAL 49 HA VAL 49 1.834 -11.693 -0.150
357 HB VAL 49 HB VAL 49 3.361 -10.715 2.266
358 1HG1 VAL 49 1HG1 VAL 49 0.960 -9.367 2.152
359 2HG1 VAL 49 2HG1 VAL 49 1.467 -9.437 0.463
360 3HG1 VAL 49 3HG1 VAL 49 2.533 -8.726 1.674
361 1HG2 VAL 49 1HG2 VAL 49 0.591 -11.892 2.076
362 2HG2 VAL 49 2HG2 VAL 49 1.343 -11.242 3.533
363 3HG2 VAL 49 3HG2 VAL 49 2.005 -12.686 2.767
364 H ASN 50 H ASN 50 2.206 -10.115 -1.606
365 HA ASN 50 HA ASN 50 4.990 -9.492 -2.233
366 1HB ASN 50 2HB ASN 50 2.661 -8.525 -3.857
367 2HB ASN 50 1HB ASN 50 4.297 -8.923 -4.383
368 1HD2 ASN 50 1HD2 ASN 50 1.120 -10.005 -4.054
369 2HD2 ASN 50 2HD2 ASN 50 1.377 -11.664 -4.499
370 H LEU 51 H LEU 51 5.710 -7.338 -2.558
371 HA LEU 51 HA LEU 51 4.068 -5.117 -1.784
372 1HB LEU 51 2HB LEU 51 4.562 -5.842 0.419
373 2HB LEU 51 1HB LEU 51 6.239 -6.157 0.019
374 HG LEU 51 HG LEU 51 6.389 -3.599 -0.383
375 1HD1 LEU 51 1HD1 LEU 51 4.800 -2.224 0.554
376 2HD1 LEU 51 2HD1 LEU 51 4.161 -3.493 1.597
377 3HD1 LEU 51 3HD1 LEU 51 3.802 -3.507 -0.129
378 1HD2 LEU 51 1HD2 LEU 51 7.138 -5.180 1.624
379 2HD2 LEU 51 2HD2 LEU 51 5.978 -4.174 2.491
380 3HD2 LEU 51 3HD2 LEU 51 7.347 -3.429 1.665
381 H ASN 52 H ASN 52 5.013 -3.108 -2.302
382 HA ASN 52 HA ASN 52 7.741 -3.035 -3.272
383 1HB ASN 52 2HB ASN 52 7.335 -2.578 -5.521
384 2HB ASN 52 1HB ASN 52 6.174 -3.851 -5.168
385 1HD2 ASN 52 1HD2 ASN 52 4.121 -2.612 -4.010
386 2HD2 ASN 52 2HD2 ASN 52 3.435 -1.425 -5.061
387 H CYS 53 H CYS 53 8.639 -1.157 -2.746
388 HA CYS 53 HA CYS 53 6.983 0.998 -1.755
389 1HB CYS 53 2HB CYS 53 9.959 1.195 -1.960
390 2HB CYS 53 1HB CYS 53 8.876 1.797 -0.710
391 H CYS 54 H CYS 54 7.264 3.201 -2.426
392 HA CYS 54 HA CYS 54 8.634 3.842 -4.857
393 1HB CYS 54 2HB CYS 54 6.395 4.696 -5.895
394 2HB CYS 54 1HB CYS 54 6.860 3.007 -6.096
395 H ARG 55 H ARG 55 8.611 6.000 -5.372
396 HA ARG 55 HA ARG 55 7.830 7.724 -3.137
397 1HB ARG 55 2HB ARG 55 9.955 8.805 -4.721
398 2HB ARG 55 1HB ARG 55 9.941 8.386 -3.017
399 1HG ARG 55 2HG ARG 55 10.545 6.095 -3.571
400 2HG ARG 55 1HG ARG 55 10.554 6.513 -5.288
401 1HD ARG 55 2HD ARG 55 12.341 7.681 -3.155
402 2HD ARG 55 1HD ARG 55 12.814 6.495 -4.373
403 HE ARG 55 HE ARG 55 11.730 8.750 -5.640
404 1HH1 ARG 55 1HH1 ARG 55 14.565 7.781 -3.851
405 2HH1 ARG 55 2HH1 ARG 55 15.602 8.933 -4.625
406 1HH2 ARG 55 1HH2 ARG 55 13.095 10.266 -6.662
407 2HH2 ARG 55 2HH2 ARG 55 14.767 10.343 -6.220
408 H THR 56 H THR 56 6.076 7.221 -5.300
409 HA THR 56 HA THR 56 6.065 9.867 -6.594
410 HB THR 56 HB THR 56 4.745 7.569 -7.954
411 HG1 THR 56 1HG THR 56 6.625 6.567 -7.772
412 1HG2 THR 56 1HG2 THR 56 5.577 10.226 -8.639
413 2HG2 THR 56 2HG2 THR 56 4.550 9.103 -9.531
414 3HG2 THR 56 3HG2 THR 56 6.302 9.045 -9.730
415 H ASP 57 H ASP 57 4.021 10.822 -6.945
416 HA ASP 57 HA ASP 57 2.150 10.417 -4.882
417 1HB ASP 57 2HB ASP 57 2.371 12.143 -7.267
418 2HB ASP 57 1HB ASP 57 0.721 11.825 -6.724
419 H ARG 58 H ARG 58 0.521 9.028 -4.685
420 HA ARG 58 HA ARG 58 -1.011 7.415 -5.149
421 1HB ARG 58 2HB ARG 58 -1.036 8.755 -7.860
422 2HB ARG 58 1HB ARG 58 -2.225 7.578 -7.301
423 1HG ARG 58 2HG ARG 58 -2.884 9.104 -5.507
424 2HG ARG 58 1HG ARG 58 -1.700 10.281 -6.077
425 1HD ARG 58 2HD ARG 58 -2.895 10.223 -8.300
426 2HD ARG 58 1HD ARG 58 -4.165 9.298 -7.498
427 HE ARG 58 HE ARG 58 -4.910 11.233 -6.542
428 1HH1 ARG 58 1HH1 ARG 58 -1.648 11.741 -7.675
429 2HH1 ARG 58 2HH1 ARG 58 -1.661 13.438 -7.333
430 1HH2 ARG 58 1HH2 ARG 58 -4.928 13.465 -6.091
431 2HH2 ARG 58 2HH2 ARG 58 -3.522 14.417 -6.433
432 H CYS 59 H CYS 59 1.864 6.958 -5.662
433 HA CYS 59 HA CYS 59 2.244 5.398 -7.964
434 1HB CYS 59 2HB CYS 59 4.297 4.702 -6.952
435 2HB CYS 59 1HB CYS 59 4.039 6.391 -6.523
436 H ASN 60 H ASN 60 0.617 4.728 -5.018
437 HA ASN 60 HA ASN 60 0.743 1.831 -5.465
438 1HB ASN 60 2HB ASN 60 -0.475 1.773 -3.227
439 2HB ASN 60 1HB ASN 60 1.192 2.356 -3.202
440 1HD2 ASN 60 1HD2 ASN 60 0.584 3.315 -1.167
441 2HD2 ASN 60 2HD2 ASN 60 -0.226 4.851 -1.156
442 H ASN 61 H ASN 61 -0.922 3.998 -6.932
443 HA ASN 61 HA ASN 61 -3.625 3.622 -6.347
444 1HB ASN 61 2HB ASN 61 -4.067 4.640 -8.451
445 2HB ASN 61 1HB ASN 61 -2.599 5.388 -7.839
446 1HD2 ASN 61 1HD2 ASN 61 -0.587 4.762 -8.745
447 2HD2 ASN 61 2HD2 ASN 61 -0.509 4.116 -10.355
Start of MODEL 4
1 1H LEU 1 1HT LEU 1 4.843 13.983 1.316
2 2H LEU 1 2HT LEU 1 3.551 13.280 2.202
3 3H LEU 1 3HT LEU 1 3.365 14.833 1.495
4 HA LEU 1 HA LEU 1 3.327 14.001 -0.632
5 1HB LEU 1 2HB LEU 1 5.133 12.198 0.351
6 2HB LEU 1 1HB LEU 1 3.727 11.179 0.103
7 HG LEU 1 HG LEU 1 4.803 12.959 -2.073
8 1HD1 LEU 1 1HD1 LEU 1 5.705 10.242 -1.209
9 2HD1 LEU 1 2HD1 LEU 1 6.666 11.638 -1.696
10 3HD1 LEU 1 3HD1 LEU 1 5.776 10.713 -2.906
11 1HD2 LEU 1 1HD2 LEU 1 2.642 12.250 -2.609
12 2HD2 LEU 1 2HD2 LEU 1 2.901 10.643 -1.929
13 3HD2 LEU 1 3HD2 LEU 1 3.691 11.100 -3.438
14 H GLU 2 H GLU 2 1.389 13.416 -1.500
15 HA GLU 2 HA GLU 2 -0.662 12.556 0.386
16 1HB GLU 2 2HB GLU 2 -0.594 14.341 -1.816
17 2HB GLU 2 1HB GLU 2 -1.704 13.045 -2.240
18 1HG GLU 2 2HG GLU 2 -3.196 13.597 -0.617
19 2HG GLU 2 1HG GLU 2 -1.960 14.258 0.452
20 H CYS 3 H CYS 3 0.235 10.354 0.446
21 HA CYS 3 HA CYS 3 0.046 8.722 -1.907
22 1HB CYS 3 2HB CYS 3 0.484 7.987 0.995
23 2HB CYS 3 1HB CYS 3 0.655 6.892 -0.374
24 H HIS 4 H HIS 4 -1.054 6.391 -1.143
25 HA HIS 4 HA HIS 4 -3.868 7.105 -0.651
26 1HB HIS 4 2HB HIS 4 -2.593 4.983 -2.362
27 2HB HIS 4 1HB HIS 4 -4.270 4.837 -1.831
28 HD1 HIS 4 1HD HIS 4 -5.462 7.494 -2.286
29 HD2 HIS 4 2HD HIS 4 -2.643 5.906 -4.892
30 HE1 HIS 4 1HE HIS 4 -5.810 8.697 -4.465
31 HE2 HIS 4 2HE HIS 4 -4.187 7.621 -6.062
32 H ASN 5 H ASN 5 -5.190 5.452 0.416
33 HA ASN 5 HA ASN 5 -3.889 3.408 1.964
34 1HB ASN 5 2HB ASN 5 -4.515 4.316 4.167
35 2HB ASN 5 1HB ASN 5 -3.367 5.370 3.337
36 1HD2 ASN 5 1HD2 ASN 5 -6.249 5.224 4.993
37 2HD2 ASN 5 2HD2 ASN 5 -6.882 6.783 4.566
38 H GLN 6 H GLN 6 -5.560 2.515 0.407
39 HA GLN 6 HA GLN 6 -8.164 2.376 1.777
40 1HB GLN 6 2HB GLN 6 -9.164 2.014 -0.509
41 2HB GLN 6 1HB GLN 6 -8.557 3.637 -0.202
42 1HG GLN 6 2HG GLN 6 -7.057 3.508 -1.842
43 2HG GLN 6 1HG GLN 6 -6.559 1.881 -1.380
44 1HE2 GLN 6 1HE2 GLN 6 -6.502 2.075 -3.897
45 2HE2 GLN 6 2HE2 GLN 6 -7.909 1.446 -4.697
46 H GLN 7 H GLN 7 -8.226 0.420 2.700
47 HA GLN 7 HA GLN 7 -6.921 -1.857 1.499
48 1HB GLN 7 2HB GLN 7 -7.991 -3.036 3.508
49 2HB GLN 7 1HB GLN 7 -6.749 -1.840 3.839
50 1HG GLN 7 2HG GLN 7 -8.325 -0.259 4.571
51 2HG GLN 7 1HG GLN 7 -9.673 -1.172 3.896
52 1HE2 GLN 7 1HE2 GLN 7 -10.509 -0.838 6.100
53 2HE2 GLN 7 2HE2 GLN 7 -10.081 -1.994 7.323
54 H SER 8 H SER 8 -8.004 -2.334 -0.386
55 HA SER 8 HA SER 8 -9.562 -3.369 -1.689
56 1HB SER 8 2HB SER 8 -11.130 -3.966 0.827
57 2HB SER 8 1HB SER 8 -11.167 -4.842 -0.709
58 HG SER 8 HG SER 8 -8.914 -5.351 -0.282
59 H SER 9 H SER 9 -11.860 -3.146 -2.422
60 HA SER 9 HA SER 9 -13.753 -1.943 -2.841
61 1HB SER 9 2HB SER 9 -13.146 -0.106 -0.532
62 2HB SER 9 1HB SER 9 -14.713 -0.533 -1.218
63 HG SER 9 HG SER 9 -14.772 -2.238 0.012
64 H GLN 10 H GLN 10 -13.445 -0.915 -4.681
65 HA GLN 10 HA GLN 10 -11.419 0.733 -5.451
66 1HB GLN 10 2HB GLN 10 -14.254 1.151 -6.382
67 2HB GLN 10 1HB GLN 10 -12.764 1.401 -7.286
68 1HG GLN 10 2HG GLN 10 -13.191 -0.592 -8.169
69 2HG GLN 10 1HG GLN 10 -12.582 -1.237 -6.641
70 1HE2 GLN 10 1HE2 GLN 10 -15.229 -0.989 -8.734
71 2HE2 GLN 10 2HE2 GLN 10 -16.413 -1.755 -7.722
72 H ALA 11 H ALA 11 -11.781 3.118 -6.186
73 HA ALA 11 HA ALA 11 -12.152 5.320 -5.683
74 1HB ALA 11 1HB ALA 11 -14.417 4.254 -4.746
75 2HB ALA 11 2HB ALA 11 -13.997 5.953 -4.523
76 3HB ALA 11 3HB ALA 11 -13.713 4.796 -3.223
77 HA PRO 12 HA PRO 12 -8.602 4.386 -2.709
78 1HB PRO 12 2HB PRO 12 -7.729 6.641 -4.481
79 2HB PRO 12 1HB PRO 12 -6.772 5.320 -3.794
80 1HG PRO 12 2HG PRO 12 -7.535 5.153 -6.303
81 2HG PRO 12 1HG PRO 12 -7.696 3.734 -5.241
82 1HD PRO 12 2HD PRO 12 -9.806 5.625 -6.207
83 2HD PRO 12 1HD PRO 12 -9.889 3.863 -5.971
84 H THR 13 H THR 13 -7.503 5.935 -1.254
85 HA THR 13 HA THR 13 -9.097 8.348 -0.721
86 HB THR 13 HB THR 13 -7.998 6.582 1.462
87 HG1 THR 13 1HG THR 13 -9.551 5.273 0.976
88 1HG2 THR 13 1HG2 THR 13 -9.947 7.712 2.695
89 2HG2 THR 13 2HG2 THR 13 -9.876 8.902 1.395
90 3HG2 THR 13 3HG2 THR 13 -8.467 8.633 2.421
91 H THR 14 H THR 14 -7.898 10.128 -0.594
92 HA THR 14 HA THR 14 -5.025 9.938 -0.671
93 HB THR 14 HB THR 14 -5.036 12.292 -1.074
94 HG1 THR 14 1HG THR 14 -6.969 13.505 -0.808
95 1HG2 THR 14 1HG2 THR 14 -7.025 10.673 -2.485
96 2HG2 THR 14 2HG2 THR 14 -5.721 11.682 -3.111
97 3HG2 THR 14 3HG2 THR 14 -7.249 12.416 -2.623
98 H LYS 15 H LYS 15 -3.576 10.485 0.890
99 HA LYS 15 HA LYS 15 -4.636 11.385 3.481
100 1HB LYS 15 2HB LYS 15 -3.816 8.818 3.045
101 2HB LYS 15 1HB LYS 15 -2.327 9.561 3.615
102 1HG LYS 15 2HG LYS 15 -3.938 10.501 5.488
103 2HG LYS 15 1HG LYS 15 -4.879 9.075 5.046
104 1HD LYS 15 2HD LYS 15 -2.354 8.051 5.220
105 2HD LYS 15 1HD LYS 15 -2.330 9.287 6.479
106 1HE LYS 15 2HE LYS 15 -4.739 7.595 6.406
107 2HE LYS 15 1HE LYS 15 -3.244 6.766 6.837
108 1HZ LYS 15 1HZ LYS 15 -2.937 8.707 8.460
109 2HZ LYS 15 2HZ LYS 15 -4.060 7.505 8.856
110 3HZ LYS 15 3HZ LYS 15 -4.591 8.985 8.235
111 H THR 16 H THR 16 -2.290 11.518 4.896
112 HA THR 16 HA THR 16 -0.353 13.016 3.335
113 HB THR 16 HB THR 16 -0.888 14.646 5.607
114 HG1 THR 16 1HG THR 16 -3.026 15.231 5.187
115 1HG2 THR 16 1HG2 THR 16 -0.131 15.962 3.968
116 2HG2 THR 16 2HG2 THR 16 -1.835 16.098 3.537
117 3HG2 THR 16 3HG2 THR 16 -0.802 14.942 2.695
118 H CYS 17 H CYS 17 1.648 12.701 4.079
119 HA CYS 17 HA CYS 17 1.960 11.666 6.821
120 1HB CYS 17 2HB CYS 17 2.944 10.649 4.245
121 2HB CYS 17 1HB CYS 17 4.182 10.749 5.499
122 H SER 18 H SER 18 2.288 13.849 7.529
123 HA SER 18 HA SER 18 4.420 15.436 6.485
124 1HB SER 18 2HB SER 18 3.956 16.535 8.918
125 2HB SER 18 1HB SER 18 2.968 16.865 7.495
126 HG SER 18 HG SER 18 2.436 15.180 9.681
127 H GLY 19 H GLY 19 5.875 13.411 6.682
128 1HA GLY 19 2HA GLY 19 7.863 13.943 8.584
129 2HA GLY 19 1HA GLY 19 6.881 12.611 9.190
130 H GLU 20 H GLU 20 6.313 11.261 6.845
131 HA GLU 20 HA GLU 20 8.837 9.949 6.382
132 1HB GLU 20 2HB GLU 20 5.981 9.401 5.715
133 2HB GLU 20 1HB GLU 20 7.225 8.611 4.746
134 1HG GLU 20 2HG GLU 20 7.121 8.476 7.749
135 2HG GLU 20 1HG GLU 20 6.363 7.289 6.688
136 H THR 21 H THR 21 8.964 9.116 3.898
137 HA THR 21 HA THR 21 8.751 11.474 2.163
138 HB THR 21 HB THR 21 11.143 9.676 1.991
139 HG1 THR 21 1HG THR 21 10.945 11.971 3.645
140 1HG2 THR 21 1HG2 THR 21 10.564 12.508 1.199
141 2HG2 THR 21 2HG2 THR 21 11.045 11.153 0.177
142 3HG2 THR 21 3HG2 THR 21 12.203 11.867 1.300
143 H ASN 22 H ASN 22 9.675 8.047 2.112
144 HA ASN 22 HA ASN 22 8.446 7.755 -0.521
145 1HB ASN 22 2HB ASN 22 9.693 5.434 0.875
146 2HB ASN 22 1HB ASN 22 9.737 5.879 -0.832
147 1HD2 ASN 22 1HD2 ASN 22 11.803 5.182 1.263
148 2HD2 ASN 22 2HD2 ASN 22 12.986 6.444 1.120
149 H CYS 23 H CYS 23 6.954 6.022 -0.956
150 HA CYS 23 HA CYS 23 5.409 5.157 1.392
151 1HB CYS 23 2HB CYS 23 4.547 6.515 -1.100
152 2HB CYS 23 1HB CYS 23 3.518 5.206 -0.525
153 H TYR 24 H TYR 24 3.672 3.408 0.274
154 HA TYR 24 HA TYR 24 4.987 1.687 -1.615
155 1HB TYR 24 2HB TYR 24 5.186 -0.259 -0.124
156 2HB TYR 24 1HB TYR 24 6.227 1.069 0.384
157 HD1 TYR 24 1HD TYR 24 6.216 1.701 2.609
158 HD2 TYR 24 2HD TYR 24 2.832 -0.359 1.056
159 HE1 TYR 24 1HE TYR 24 5.245 1.616 4.864
160 HE2 TYR 24 2HE TYR 24 1.850 -0.442 3.308
161 HH TYR 24 HH TYR 24 1.995 0.386 5.425
162 H LYS 25 H LYS 25 3.808 -0.531 -1.615
163 HA LYS 25 HA LYS 25 1.002 -0.403 -0.930
164 1HB LYS 25 2HB LYS 25 1.437 0.725 -3.259
165 2HB LYS 25 1HB LYS 25 1.625 -0.937 -3.816
166 1HG LYS 25 2HG LYS 25 -0.641 -1.388 -2.775
167 2HG LYS 25 1HG LYS 25 -0.808 0.363 -2.638
168 1HD LYS 25 2HD LYS 25 -1.749 0.120 -4.687
169 2HD LYS 25 1HD LYS 25 -0.064 0.200 -5.205
170 1HE LYS 25 2HE LYS 25 -0.030 -1.955 -5.842
171 2HE LYS 25 1HE LYS 25 -0.980 -2.482 -4.453
172 1HZ LYS 25 1HZ LYS 25 -2.353 -0.950 -6.529
173 2HZ LYS 25 2HZ LYS 25 -2.924 -2.216 -5.565
174 3HZ LYS 25 3HZ LYS 25 -1.931 -2.548 -6.893
175 H LYS 26 H LYS 26 0.429 -2.373 -0.266
176 HA LYS 26 HA LYS 26 1.959 -4.668 -1.304
177 1HB LYS 26 2HB LYS 26 1.288 -5.723 0.954
178 2HB LYS 26 1HB LYS 26 2.605 -4.573 0.913
179 1HG LYS 26 2HG LYS 26 0.045 -3.294 1.378
180 2HG LYS 26 1HG LYS 26 0.427 -4.514 2.594
181 1HD LYS 26 2HD LYS 26 2.808 -3.216 2.358
182 2HD LYS 26 1HD LYS 26 1.661 -1.904 2.081
183 1HE LYS 26 2HE LYS 26 1.343 -3.788 4.393
184 2HE LYS 26 1HE LYS 26 2.416 -2.394 4.496
185 1HZ LYS 26 1HZ LYS 26 -0.285 -2.420 4.970
186 2HZ LYS 26 2HZ LYS 26 -0.137 -1.670 3.461
187 3HZ LYS 26 3HZ LYS 26 0.692 -1.051 4.799
188 H TRP 27 H TRP 27 0.879 -6.686 -1.388
189 HA TRP 27 HA TRP 27 -1.959 -6.827 -1.048
190 1HB TRP 27 2HB TRP 27 -2.438 -7.434 -3.432
191 2HB TRP 27 1HB TRP 27 -2.067 -5.752 -3.174
192 HD1 TRP 27 HD TRP 27 -0.968 -8.748 -4.997
193 HE1 TRP 27 1HE TRP 27 0.984 -8.167 -6.550
194 HE3 TRP 27 3HE TRP 27 0.051 -4.055 -3.287
195 HZ2 TRP 27 2HZ TRP 27 2.741 -6.003 -7.005
196 HZ3 TRP 27 3HZ TRP 27 1.877 -2.793 -4.336
197 HH2 TRP 27 HH TRP 27 3.195 -3.744 -6.156
198 H TRP 28 H TRP 28 -2.832 -8.942 -1.675
199 HA TRP 28 HA TRP 28 -0.977 -11.087 -2.187
200 1HB TRP 28 2HB TRP 28 -1.508 -12.271 -0.036
201 2HB TRP 28 1HB TRP 28 -0.529 -10.819 0.166
202 HD1 TRP 28 HD TRP 28 -3.979 -12.198 0.882
203 HE1 TRP 28 1HE TRP 28 -5.133 -10.639 2.535
204 HE3 TRP 28 3HE TRP 28 -0.585 -8.372 0.952
205 HZ2 TRP 28 2HZ TRP 28 -4.706 -8.133 3.748
206 HZ3 TRP 28 3HZ TRP 28 -1.037 -6.430 2.395
207 HH2 TRP 28 HH TRP 28 -3.058 -6.316 3.763
208 H SER 29 H SER 29 -2.264 -13.271 -1.639
209 HA SER 29 HA SER 29 -5.072 -12.948 -2.433
210 1HB SER 29 2HB SER 29 -3.215 -14.978 -3.695
211 2HB SER 29 1HB SER 29 -4.895 -14.646 -4.134
212 HG SER 29 HG SER 29 -2.802 -12.738 -4.310
213 H ASP 30 H ASP 30 -5.511 -13.436 -0.212
214 HA ASP 30 HA ASP 30 -4.730 -16.036 0.806
215 1HB ASP 30 2HB ASP 30 -6.044 -15.332 2.822
216 2HB ASP 30 1HB ASP 30 -4.736 -14.227 2.390
217 H HIS 31 H HIS 31 -6.746 -17.060 2.137
218 HA HIS 31 HA HIS 31 -8.320 -18.349 0.233
219 1HB HIS 31 2HB HIS 31 -9.705 -19.072 2.226
220 2HB HIS 31 1HB HIS 31 -7.982 -19.416 2.335
221 HD1 HIS 31 1HD HIS 31 -10.700 -17.459 3.928
222 HD2 HIS 31 2HD HIS 31 -6.574 -17.844 4.234
223 HE1 HIS 31 1HE HIS 31 -10.078 -16.327 6.086
224 HE2 HIS 31 2HE HIS 31 -7.589 -16.656 6.296
225 H ARG 32 H ARG 32 -9.153 -15.678 2.422
226 HA ARG 32 HA ARG 32 -11.838 -15.420 1.672
227 1HB ARG 32 2HB ARG 32 -9.832 -13.712 3.027
228 2HB ARG 32 1HB ARG 32 -11.216 -12.874 2.325
229 1HG ARG 32 2HG ARG 32 -12.671 -14.518 3.587
230 2HG ARG 32 1HG ARG 32 -11.209 -14.995 4.452
231 1HD ARG 32 2HD ARG 32 -11.633 -12.102 4.325
232 2HD ARG 32 1HD ARG 32 -12.897 -12.974 5.189
233 HE ARG 32 HE ARG 32 -10.572 -13.975 6.203
234 1HH1 ARG 32 1HH1 ARG 32 -11.930 -10.776 5.880
235 2HH1 ARG 32 2HH1 ARG 32 -11.138 -10.162 7.293
236 1HH2 ARG 32 1HH2 ARG 32 -9.531 -13.168 8.061
237 2HH2 ARG 32 2HH2 ARG 32 -9.777 -11.520 8.531
238 H GLY 33 H GLY 33 -8.893 -14.282 0.170
239 1HA GLY 33 2HA GLY 33 -9.506 -14.083 -2.371
240 2HA GLY 33 1HA GLY 33 -10.420 -12.701 -1.771
241 H THR 34 H THR 34 -9.023 -11.526 -3.296
242 HA THR 34 HA THR 34 -6.254 -11.188 -2.452
243 HB THR 34 HB THR 34 -7.757 -9.934 -4.759
244 HG1 THR 34 1HG THR 34 -6.576 -11.477 -5.984
245 1HG2 THR 34 1HG2 THR 34 -5.866 -8.961 -5.496
246 2HG2 THR 34 2HG2 THR 34 -4.824 -10.209 -4.815
247 3HG2 THR 34 3HG2 THR 34 -5.484 -8.947 -3.774
248 H ILE 35 H ILE 35 -5.472 -9.446 -1.409
249 HA ILE 35 HA ILE 35 -7.266 -7.148 -0.997
250 HB ILE 35 HB ILE 35 -5.514 -8.292 1.175
251 1HG1 ILE 35 2HG1 ILE 35 -8.512 -8.569 0.868
252 2HG1 ILE 35 1HG1 ILE 35 -7.352 -9.853 0.545
253 1HG2 ILE 35 1HG2 ILE 35 -6.826 -6.817 2.630
254 2HG2 ILE 35 2HG2 ILE 35 -7.703 -6.220 1.222
255 3HG2 ILE 35 3HG2 ILE 35 -5.973 -5.915 1.378
256 1HD1 ILE 35 1HD1 ILE 35 -6.655 -9.153 3.062
257 2HD1 ILE 35 2HD1 ILE 35 -7.789 -10.441 2.656
258 3HD1 ILE 35 3HD1 ILE 35 -8.391 -8.841 3.087
259 H ILE 36 H ILE 36 -6.214 -5.143 -0.580
260 HA ILE 36 HA ILE 36 -3.315 -5.078 -0.987
261 HB ILE 36 HB ILE 36 -3.411 -3.428 -2.720
262 1HG1 ILE 36 2HG1 ILE 36 -6.420 -3.554 -2.396
263 2HG1 ILE 36 1HG1 ILE 36 -5.381 -2.180 -2.029
264 1HG2 ILE 36 1HG2 ILE 36 -5.438 -5.245 -3.841
265 2HG2 ILE 36 2HG2 ILE 36 -4.043 -6.022 -3.094
266 3HG2 ILE 36 3HG2 ILE 36 -3.810 -4.868 -4.406
267 1HD1 ILE 36 1HD1 ILE 36 -6.488 -3.076 -4.579
268 2HD1 ILE 36 2HD1 ILE 36 -4.786 -2.621 -4.640
269 3HD1 ILE 36 3HD1 ILE 36 -5.986 -1.469 -4.055
270 H GLU 37 H GLU 37 -2.336 -3.657 0.349
271 HA GLU 37 HA GLU 37 -3.971 -1.493 1.485
272 1HB GLU 37 2HB GLU 37 -2.111 -1.952 3.433
273 2HB GLU 37 1HB GLU 37 -3.766 -2.556 3.453
274 1HG GLU 37 2HG GLU 37 -3.125 -4.677 2.771
275 2HG GLU 37 1HG GLU 37 -1.563 -4.124 2.176
276 H ARG 38 H ARG 38 -2.411 0.148 2.643
277 HA ARG 38 HA ARG 38 0.017 0.535 1.051
278 1HB ARG 38 2HB ARG 38 -2.187 2.570 1.393
279 2HB ARG 38 1HB ARG 38 -0.587 2.951 0.776
280 1HG ARG 38 2HG ARG 38 -1.439 2.558 -1.239
281 2HG ARG 38 1HG ARG 38 -1.359 0.848 -0.808
282 1HD ARG 38 2HD ARG 38 -3.636 0.883 -0.038
283 2HD ARG 38 1HD ARG 38 -3.727 2.629 -0.260
284 HE ARG 38 HE ARG 38 -4.200 2.268 -2.458
285 1HH1 ARG 38 1HH1 ARG 38 -2.667 -0.598 -1.186
286 2HH1 ARG 38 2HH1 ARG 38 -2.890 -1.514 -2.640
287 1HH2 ARG 38 1HH2 ARG 38 -4.495 1.063 -4.368
288 2HH2 ARG 38 2HH2 ARG 38 -3.926 -0.570 -4.446
289 H GLY 39 H GLY 39 1.044 2.766 1.930
290 1HA GLY 39 2HA GLY 39 0.780 3.695 4.473
291 2HA GLY 39 1HA GLY 39 1.677 2.199 4.681
292 H CYS 40 H CYS 40 2.553 4.909 5.243
293 HA CYS 40 HA CYS 40 4.401 5.658 3.182
294 1HB CYS 40 2HB CYS 40 4.149 6.628 6.036
295 2HB CYS 40 1HB CYS 40 5.081 7.399 4.755
296 H GLY 41 H GLY 41 6.544 5.253 3.058
297 1HA GLY 41 2HA GLY 41 8.636 4.794 4.315
298 2HA GLY 41 1HA GLY 41 7.715 3.574 5.194
299 H CYS 42 H CYS 42 9.387 2.076 4.518
300 HA CYS 42 HA CYS 42 8.631 0.702 2.115
301 1HB CYS 42 2HB CYS 42 10.171 2.410 1.206
302 2HB CYS 42 1HB CYS 42 11.439 1.823 2.286
303 HA PRO 43 HA PRO 43 10.530 -1.849 5.538
304 1HB PRO 43 2HB PRO 43 8.330 -3.095 6.432
305 2HB PRO 43 1HB PRO 43 8.758 -1.466 6.982
306 1HG PRO 43 2HG PRO 43 6.750 -2.307 4.927
307 2HG PRO 43 1HG PRO 43 6.613 -1.064 6.187
308 1HD PRO 43 2HD PRO 43 7.206 -0.536 3.553
309 2HD PRO 43 1HD PRO 43 7.669 0.513 4.910
310 H LYS 44 H LYS 44 10.498 -4.256 5.735
311 HA LYS 44 HA LYS 44 10.352 -5.437 3.089
312 1HB LYS 44 2HB LYS 44 11.681 -6.081 5.649
313 2HB LYS 44 1HB LYS 44 11.182 -7.466 4.686
314 1HG LYS 44 2HG LYS 44 12.476 -6.677 2.808
315 2HG LYS 44 1HG LYS 44 12.901 -5.206 3.684
316 1HD LYS 44 2HD LYS 44 14.461 -6.251 4.946
317 2HD LYS 44 1HD LYS 44 13.527 -7.745 5.050
318 1HE LYS 44 2HE LYS 44 14.899 -6.866 2.523
319 2HE LYS 44 1HE LYS 44 15.711 -7.840 3.749
320 1HZ LYS 44 1HZ LYS 44 13.627 -8.588 1.867
321 2HZ LYS 44 2HZ LYS 44 13.481 -9.240 3.421
322 3HZ LYS 44 3HZ LYS 44 14.885 -9.514 2.517
323 H VAL 45 H VAL 45 9.718 -7.972 3.326
324 HA VAL 45 HA VAL 45 7.286 -8.293 4.885
325 HB VAL 45 HB VAL 45 6.036 -9.087 2.828
326 1HG1 VAL 45 1HG1 VAL 45 5.420 -6.761 2.146
327 2HG1 VAL 45 2HG1 VAL 45 6.742 -6.177 3.155
328 3HG1 VAL 45 3HG1 VAL 45 5.392 -7.046 3.886
329 1HG2 VAL 45 1HG2 VAL 45 6.835 -8.807 0.736
330 2HG2 VAL 45 2HG2 VAL 45 8.399 -8.844 1.550
331 3HG2 VAL 45 3HG2 VAL 45 7.657 -7.299 1.138
332 H LYS 46 H LYS 46 6.402 -10.518 4.684
333 HA LYS 46 HA LYS 46 8.521 -12.410 4.795
334 1HB LYS 46 2HB LYS 46 5.582 -12.478 5.349
335 2HB LYS 46 1HB LYS 46 6.480 -13.982 5.228
336 1HG LYS 46 2HG LYS 46 7.013 -11.736 7.159
337 2HG LYS 46 1HG LYS 46 6.287 -13.300 7.536
338 1HD LYS 46 2HD LYS 46 8.571 -14.118 6.378
339 2HD LYS 46 1HD LYS 46 9.111 -12.581 7.053
340 1HE LYS 46 2HE LYS 46 9.531 -14.039 8.791
341 2HE LYS 46 1HE LYS 46 7.934 -13.420 9.213
342 1HZ LYS 46 1HZ LYS 46 7.518 -15.615 9.429
343 2HZ LYS 46 2HZ LYS 46 8.723 -16.085 8.339
344 3HZ LYS 46 3HZ LYS 46 7.238 -15.514 7.764
345 HA PRO 47 HA PRO 47 7.978 -14.288 0.846
346 1HB PRO 47 2HB PRO 47 8.185 -16.982 1.508
347 2HB PRO 47 1HB PRO 47 9.523 -15.886 1.231
348 1HG PRO 47 2HG PRO 47 8.687 -17.088 3.659
349 2HG PRO 47 1HG PRO 47 10.105 -16.089 3.358
350 1HD PRO 47 2HD PRO 47 7.623 -15.385 4.658
351 2HD PRO 47 1HD PRO 47 9.127 -14.454 4.526
352 H GLY 48 H GLY 48 5.797 -13.749 0.442
353 1HA GLY 48 2HA GLY 48 4.094 -15.689 -0.389
354 2HA GLY 48 1HA GLY 48 3.669 -15.494 1.312
355 H VAL 49 H VAL 49 4.355 -12.618 1.240
356 HA VAL 49 HA VAL 49 1.908 -11.683 -0.102
357 HB VAL 49 HB VAL 49 3.419 -10.306 2.122
358 1HG1 VAL 49 1HG1 VAL 49 1.573 -9.282 0.374
359 2HG1 VAL 49 2HG1 VAL 49 1.937 -8.637 1.975
360 3HG1 VAL 49 3HG1 VAL 49 0.579 -9.741 1.757
361 1HG2 VAL 49 1HG2 VAL 49 0.807 -11.455 2.761
362 2HG2 VAL 49 2HG2 VAL 49 2.313 -11.478 3.679
363 3HG2 VAL 49 3HG2 VAL 49 2.044 -12.657 2.395
364 H ASN 50 H ASN 50 1.980 -10.010 -1.545
365 HA ASN 50 HA ASN 50 4.611 -9.286 -2.539
366 1HB ASN 50 2HB ASN 50 2.107 -8.172 -3.724
367 2HB ASN 50 1HB ASN 50 3.598 -8.673 -4.521
368 1HD2 ASN 50 1HD2 ASN 50 0.476 -9.603 -3.475
369 2HD2 ASN 50 2HD2 ASN 50 0.516 -11.233 -4.075
370 H LEU 51 H LEU 51 5.366 -7.183 -2.772
371 HA LEU 51 HA LEU 51 3.912 -4.936 -1.735
372 1HB LEU 51 2HB LEU 51 4.579 -5.730 0.380
373 2HB LEU 51 1HB LEU 51 6.167 -6.193 -0.197
374 HG LEU 51 HG LEU 51 6.562 -3.665 -0.537
375 1HD1 LEU 51 1HD1 LEU 51 3.957 -3.423 0.044
376 2HD1 LEU 51 2HD1 LEU 51 5.141 -2.151 0.340
377 3HD1 LEU 51 3HD1 LEU 51 4.645 -3.215 1.655
378 1HD2 LEU 51 1HD2 LEU 51 7.298 -5.353 1.367
379 2HD2 LEU 51 2HD2 LEU 51 6.285 -4.292 2.347
380 3HD2 LEU 51 3HD2 LEU 51 7.654 -3.627 1.456
381 H ASN 52 H ASN 52 4.871 -2.952 -2.308
382 HA ASN 52 HA ASN 52 7.509 -2.923 -3.486
383 1HB ASN 52 2HB ASN 52 6.968 -2.487 -5.704
384 2HB ASN 52 1HB ASN 52 5.788 -3.717 -5.267
385 1HD2 ASN 52 1HD2 ASN 52 3.872 -2.368 -3.970
386 2HD2 ASN 52 2HD2 ASN 52 3.156 -1.178 -4.995
387 H CYS 53 H CYS 53 8.462 -1.070 -2.978
388 HA CYS 53 HA CYS 53 6.913 1.105 -1.889
389 1HB CYS 53 2HB CYS 53 9.895 1.045 -2.336
390 2HB CYS 53 1HB CYS 53 8.986 1.997 -1.169
391 H CYS 54 H CYS 54 7.271 3.338 -2.563
392 HA CYS 54 HA CYS 54 8.390 3.899 -5.141
393 1HB CYS 54 2HB CYS 54 6.144 4.858 -5.975
394 2HB CYS 54 1HB CYS 54 6.420 3.124 -6.121
395 H ARG 55 H ARG 55 8.354 6.071 -5.697
396 HA ARG 55 HA ARG 55 7.937 7.845 -3.403
397 1HB ARG 55 2HB ARG 55 9.957 8.794 -5.189
398 2HB ARG 55 1HB ARG 55 10.088 8.366 -3.492
399 1HG ARG 55 2HG ARG 55 10.348 5.978 -4.229
400 2HG ARG 55 1HG ARG 55 10.498 6.598 -5.880
401 1HD ARG 55 2HD ARG 55 12.596 7.303 -5.542
402 2HD ARG 55 1HD ARG 55 12.215 7.970 -3.955
403 HE ARG 55 HE ARG 55 12.236 5.336 -3.461
404 1HH1 ARG 55 1HH1 ARG 55 14.508 7.399 -5.126
405 2HH1 ARG 55 2HH1 ARG 55 15.881 6.429 -4.712
406 1HH2 ARG 55 1HH2 ARG 55 14.041 4.063 -2.914
407 2HH2 ARG 55 2HH2 ARG 55 15.617 4.536 -3.456
408 H THR 56 H THR 56 5.961 7.423 -5.391
409 HA THR 56 HA THR 56 5.961 10.068 -6.685
410 HB THR 56 HB THR 56 4.346 8.621 -8.328
411 HG1 THR 56 1HG THR 56 5.216 6.637 -8.659
412 1HG2 THR 56 1HG2 THR 56 5.826 9.806 -9.540
413 2HG2 THR 56 2HG2 THR 56 6.632 8.241 -9.645
414 3HG2 THR 56 3HG2 THR 56 7.175 9.436 -8.467
415 H ASP 57 H ASP 57 3.924 11.083 -6.904
416 HA ASP 57 HA ASP 57 2.192 10.742 -4.712
417 1HB ASP 57 2HB ASP 57 2.580 12.658 -6.726
418 2HB ASP 57 1HB ASP 57 0.908 12.121 -6.912
419 H ARG 58 H ARG 58 0.501 9.442 -4.402
420 HA ARG 58 HA ARG 58 -1.115 7.880 -4.758
421 1HB ARG 58 2HB ARG 58 -1.233 9.184 -7.485
422 2HB ARG 58 1HB ARG 58 -2.435 8.063 -6.845
423 1HG ARG 58 2HG ARG 58 -2.938 9.637 -5.044
424 2HG ARG 58 1HG ARG 58 -1.740 10.759 -5.692
425 1HD ARG 58 2HD ARG 58 -3.076 11.410 -7.396
426 2HD ARG 58 1HD ARG 58 -3.780 9.806 -7.597
427 HE ARG 58 HE ARG 58 -4.840 10.638 -5.260
428 1HH1 ARG 58 1HH1 ARG 58 -4.636 12.104 -8.420
429 2HH1 ARG 58 2HH1 ARG 58 -6.109 12.995 -8.239
430 1HH2 ARG 58 1HH2 ARG 58 -6.776 11.810 -5.018
431 2HH2 ARG 58 2HH2 ARG 58 -7.323 12.830 -6.306
432 H CYS 59 H CYS 59 1.724 7.336 -5.453
433 HA CYS 59 HA CYS 59 1.874 5.698 -7.735
434 1HB CYS 59 2HB CYS 59 3.995 4.978 -6.857
435 2HB CYS 59 1HB CYS 59 3.817 6.703 -6.542
436 H ASN 60 H ASN 60 0.756 5.124 -4.494
437 HA ASN 60 HA ASN 60 0.647 2.233 -4.963
438 1HB ASN 60 2HB ASN 60 0.003 2.136 -2.540
439 2HB ASN 60 1HB ASN 60 1.600 2.823 -2.839
440 1HD2 ASN 60 1HD2 ASN 60 0.847 3.431 -0.510
441 2HD2 ASN 60 2HD2 ASN 60 0.163 5.020 -0.370
442 H ASN 61 H ASN 61 -1.108 4.033 -6.395
443 HA ASN 61 HA ASN 61 -3.687 4.078 -5.239
444 1HB ASN 61 2HB ASN 61 -4.429 4.545 -7.579
445 2HB ASN 61 1HB ASN 61 -3.144 5.606 -7.019
446 1HD2 ASN 61 1HD2 ASN 61 -2.033 6.100 -8.780
447 2HD2 ASN 61 2HD2 ASN 61 -1.365 4.954 -9.901
Start of MODEL 5
1 1H LEU 1 1HT LEU 1 3.783 13.800 0.404
2 2H LEU 1 2HT LEU 1 3.288 15.175 -0.495
3 3H LEU 1 3HT LEU 1 4.862 14.525 -0.713
4 HA LEU 1 HA LEU 1 3.219 14.008 -2.468
5 1HB LEU 1 2HB LEU 1 5.370 12.761 -1.752
6 2HB LEU 1 1HB LEU 1 4.279 11.571 -1.067
7 HG LEU 1 HG LEU 1 4.270 12.394 -3.970
8 1HD1 LEU 1 1HD1 LEU 1 5.270 10.105 -4.300
9 2HD1 LEU 1 2HD1 LEU 1 5.605 10.093 -2.569
10 3HD1 LEU 1 3HD1 LEU 1 6.344 11.317 -3.600
11 1HD2 LEU 1 1HD2 LEU 1 3.136 9.934 -3.814
12 2HD2 LEU 1 2HD2 LEU 1 2.237 11.451 -3.833
13 3HD2 LEU 1 3HD2 LEU 1 2.594 10.658 -2.299
14 H GLU 2 H GLU 2 1.158 13.531 -2.834
15 HA GLU 2 HA GLU 2 -0.515 12.547 -0.700
16 1HB GLU 2 2HB GLU 2 -0.972 13.605 -3.457
17 2HB GLU 2 1HB GLU 2 -2.243 12.659 -2.693
18 1HG GLU 2 2HG GLU 2 -2.458 14.210 -0.921
19 2HG GLU 2 1HG GLU 2 -0.980 15.050 -1.387
20 H CYS 3 H CYS 3 0.083 10.425 -0.325
21 HA CYS 3 HA CYS 3 -0.087 8.535 -2.546
22 1HB CYS 3 2HB CYS 3 1.081 8.445 0.215
23 2HB CYS 3 1HB CYS 3 0.701 6.945 -0.629
24 H HIS 4 H HIS 4 -0.920 6.254 -1.520
25 HA HIS 4 HA HIS 4 -3.598 6.843 -0.440
26 1HB HIS 4 2HB HIS 4 -2.805 4.578 -2.285
27 2HB HIS 4 1HB HIS 4 -4.432 4.914 -1.686
28 HD1 HIS 4 1HD HIS 4 -5.317 7.435 -2.426
29 HD2 HIS 4 2HD HIS 4 -2.317 5.683 -4.707
30 HE1 HIS 4 1HE HIS 4 -5.338 8.665 -4.618
31 HE2 HIS 4 2HE HIS 4 -3.583 7.519 -6.018
32 H ASN 5 H ASN 5 -4.568 5.193 0.900
33 HA ASN 5 HA ASN 5 -2.963 3.052 1.935
34 1HB ASN 5 2HB ASN 5 -3.052 3.944 4.311
35 2HB ASN 5 1HB ASN 5 -1.898 4.734 3.234
36 1HD2 ASN 5 1HD2 ASN 5 -2.545 6.759 2.270
37 2HD2 ASN 5 2HD2 ASN 5 -3.608 7.815 3.147
38 H GLN 6 H GLN 6 -5.296 2.754 0.737
39 HA GLN 6 HA GLN 6 -7.336 2.563 2.842
40 1HB GLN 6 2HB GLN 6 -8.968 2.354 1.053
41 2HB GLN 6 1HB GLN 6 -7.982 3.789 0.804
42 1HG GLN 6 2HG GLN 6 -6.753 1.611 -0.545
43 2HG GLN 6 1HG GLN 6 -8.463 1.646 -0.975
44 1HE2 GLN 6 1HE2 GLN 6 -8.699 2.633 -2.840
45 2HE2 GLN 6 2HE2 GLN 6 -7.908 4.098 -3.330
46 H GLN 7 H GLN 7 -8.544 0.620 3.089
47 HA GLN 7 HA GLN 7 -6.943 -1.743 2.760
48 1HB GLN 7 2HB GLN 7 -8.954 -2.822 3.890
49 2HB GLN 7 1HB GLN 7 -8.083 -1.613 4.817
50 1HG GLN 7 2HG GLN 7 -9.796 -0.112 4.733
51 2HG GLN 7 1HG GLN 7 -10.411 -0.732 3.202
52 1HE2 GLN 7 1HE2 GLN 7 -12.497 -1.030 3.789
53 2HE2 GLN 7 2HE2 GLN 7 -13.011 -2.166 4.998
54 H SER 8 H SER 8 -6.890 -2.751 0.862
55 HA SER 8 HA SER 8 -7.562 -3.868 -1.001
56 1HB SER 8 2HB SER 8 -9.556 -4.386 0.824
57 2HB SER 8 1HB SER 8 -10.459 -3.721 -0.543
58 HG SER 8 HG SER 8 -9.384 -5.282 -1.866
59 H SER 9 H SER 9 -10.370 -1.739 -0.464
60 HA SER 9 HA SER 9 -9.561 0.019 -2.604
61 1HB SER 9 2HB SER 9 -11.401 -2.173 -3.092
62 2HB SER 9 1HB SER 9 -12.161 -0.614 -3.413
63 HG SER 9 HG SER 9 -10.793 -1.773 -5.119
64 H GLN 10 H GLN 10 -12.249 -1.001 -0.515
65 HA GLN 10 HA GLN 10 -13.661 1.394 -0.475
66 1HB GLN 10 2HB GLN 10 -13.423 -0.418 1.917
67 2HB GLN 10 1HB GLN 10 -14.805 0.542 1.400
68 1HG GLN 10 2HG GLN 10 -15.586 -1.353 0.555
69 2HG GLN 10 1HG GLN 10 -14.413 -1.107 -0.742
70 1HE2 GLN 10 1HE2 GLN 10 -15.603 -3.474 0.871
71 2HE2 GLN 10 2HE2 GLN 10 -14.205 -4.450 1.200
72 H ALA 11 H ALA 11 -13.864 2.932 1.327
73 HA ALA 11 HA ALA 11 -13.002 4.570 2.645
74 1HB ALA 11 1HB ALA 11 -12.734 2.964 4.344
75 2HB ALA 11 2HB ALA 11 -11.197 3.824 4.273
76 3HB ALA 11 3HB ALA 11 -11.347 2.227 3.541
77 HA PRO 12 HA PRO 12 -9.693 5.132 -0.711
78 1HB PRO 12 2HB PRO 12 -11.217 7.709 -0.589
79 2HB PRO 12 1HB PRO 12 -10.500 6.891 -1.987
80 1HG PRO 12 2HG PRO 12 -13.089 6.687 -1.614
81 2HG PRO 12 1HG PRO 12 -12.147 5.228 -2.011
82 1HD PRO 12 2HD PRO 12 -13.215 6.122 0.647
83 2HD PRO 12 1HD PRO 12 -13.196 4.492 -0.067
84 H THR 13 H THR 13 -7.962 6.728 -0.715
85 HA THR 13 HA THR 13 -7.703 8.518 1.530
86 HB THR 13 HB THR 13 -5.320 6.919 1.581
87 HG1 THR 13 1HG THR 13 -7.671 5.467 2.195
88 1HG2 THR 13 1HG2 THR 13 -5.553 7.869 3.588
89 2HG2 THR 13 2HG2 THR 13 -6.513 6.435 3.954
90 3HG2 THR 13 3HG2 THR 13 -7.312 7.932 3.472
91 H THR 14 H THR 14 -6.852 10.287 0.685
92 HA THR 14 HA THR 14 -4.742 10.011 -1.352
93 HB THR 14 HB THR 14 -6.939 12.078 -1.318
94 HG1 THR 14 1HG THR 14 -7.698 10.046 -1.972
95 1HG2 THR 14 1HG2 THR 14 -6.129 12.501 -3.665
96 2HG2 THR 14 2HG2 THR 14 -4.674 11.606 -3.225
97 3HG2 THR 14 3HG2 THR 14 -5.093 13.087 -2.365
98 H LYS 15 H LYS 15 -5.390 11.044 1.692
99 HA LYS 15 HA LYS 15 -4.012 13.567 1.649
100 1HB LYS 15 2HB LYS 15 -5.814 12.531 3.346
101 2HB LYS 15 1HB LYS 15 -4.343 12.082 4.199
102 1HG LYS 15 2HG LYS 15 -4.206 14.123 5.034
103 2HG LYS 15 1HG LYS 15 -4.075 14.786 3.405
104 1HD LYS 15 2HD LYS 15 -5.926 15.876 4.365
105 2HD LYS 15 1HD LYS 15 -6.617 14.637 3.316
106 1HE LYS 15 2HE LYS 15 -6.098 14.020 6.191
107 2HE LYS 15 1HE LYS 15 -7.520 14.964 5.747
108 1HZ LYS 15 1HZ LYS 15 -6.901 12.158 5.190
109 2HZ LYS 15 2HZ LYS 15 -7.811 13.007 4.045
110 3HZ LYS 15 3HZ LYS 15 -8.369 12.872 5.636
111 H THR 16 H THR 16 -2.069 13.974 2.951
112 HA THR 16 HA THR 16 -0.049 11.985 2.368
113 HB THR 16 HB THR 16 1.392 13.891 3.508
114 HG1 THR 16 1HG THR 16 -0.797 15.411 2.584
115 1HG2 THR 16 1HG2 THR 16 2.020 13.908 1.378
116 2HG2 THR 16 2HG2 THR 16 0.849 15.212 1.176
117 3HG2 THR 16 3HG2 THR 16 0.392 13.550 0.801
118 H CYS 17 H CYS 17 1.804 12.078 4.216
119 HA CYS 17 HA CYS 17 0.464 11.243 6.706
120 1HB CYS 17 2HB CYS 17 3.146 10.222 5.782
121 2HB CYS 17 1HB CYS 17 2.077 9.537 7.007
122 H SER 18 H SER 18 2.281 11.146 8.537
123 HA SER 18 HA SER 18 2.990 13.846 9.039
124 1HB SER 18 2HB SER 18 4.351 12.618 10.958
125 2HB SER 18 1HB SER 18 2.592 12.725 11.014
126 HG SER 18 HG SER 18 4.149 10.541 10.876
127 H GLY 19 H GLY 19 5.251 11.107 9.197
128 1HA GLY 19 2HA GLY 19 7.397 12.850 8.293
129 2HA GLY 19 1HA GLY 19 7.566 11.196 8.881
130 H GLU 20 H GLU 20 6.145 12.980 6.141
131 HA GLU 20 HA GLU 20 6.058 10.840 4.353
132 1HB GLU 20 2HB GLU 20 5.982 13.794 4.138
133 2HB GLU 20 1HB GLU 20 6.407 12.918 2.668
134 1HG GLU 20 2HG GLU 20 4.060 11.921 4.151
135 2HG GLU 20 1HG GLU 20 3.892 13.497 3.377
136 H THR 21 H THR 21 7.525 9.821 3.150
137 HA THR 21 HA THR 21 10.015 11.042 2.393
138 HB THR 21 HB THR 21 11.402 9.226 3.444
139 HG1 THR 21 1HG THR 21 10.526 7.912 4.907
140 1HG2 THR 21 1HG2 THR 21 11.563 10.195 5.615
141 2HG2 THR 21 2HG2 THR 21 9.948 10.890 5.480
142 3HG2 THR 21 3HG2 THR 21 11.254 11.485 4.455
143 H ASN 22 H ASN 22 8.347 7.943 2.773
144 HA ASN 22 HA ASN 22 8.536 7.459 -0.077
145 1HB ASN 22 2HB ASN 22 9.455 5.143 1.539
146 2HB ASN 22 1HB ASN 22 9.925 5.643 -0.087
147 1HD2 ASN 22 1HD2 ASN 22 10.882 5.416 3.086
148 2HD2 ASN 22 2HD2 ASN 22 12.256 6.477 3.031
149 H CYS 23 H CYS 23 7.000 5.992 -0.825
150 HA CYS 23 HA CYS 23 5.015 5.154 1.161
151 1HB CYS 23 2HB CYS 23 4.744 5.861 -1.765
152 2HB CYS 23 1HB CYS 23 3.444 5.206 -0.779
153 H TYR 24 H TYR 24 3.579 3.312 -0.110
154 HA TYR 24 HA TYR 24 5.204 1.448 -1.558
155 1HB TYR 24 2HB TYR 24 5.088 -0.373 0.093
156 2HB TYR 24 1HB TYR 24 6.036 0.991 0.680
157 HD1 TYR 24 1HD TYR 24 2.972 -0.952 1.107
158 HD2 TYR 24 2HD TYR 24 5.203 2.389 2.505
159 HE1 TYR 24 1HE TYR 24 1.576 -0.874 3.130
160 HE2 TYR 24 2HE TYR 24 3.816 2.475 4.531
161 HH TYR 24 HH TYR 24 0.908 0.763 4.845
162 H LYS 25 H LYS 25 4.028 -0.740 -1.666
163 HA LYS 25 HA LYS 25 1.143 -0.581 -1.510
164 1HB LYS 25 2HB LYS 25 2.059 0.401 -3.789
165 2HB LYS 25 1HB LYS 25 2.233 -1.305 -4.201
166 1HG LYS 25 2HG LYS 25 -0.330 -1.063 -3.120
167 2HG LYS 25 1HG LYS 25 -0.124 0.339 -4.170
168 1HD LYS 25 2HD LYS 25 0.312 -1.008 -6.055
169 2HD LYS 25 1HD LYS 25 0.564 -2.446 -5.064
170 1HE LYS 25 2HE LYS 25 -1.583 -2.595 -6.144
171 2HE LYS 25 1HE LYS 25 -1.818 -2.368 -4.411
172 1HZ LYS 25 1HZ LYS 25 -2.643 -0.281 -4.701
173 2HZ LYS 25 2HZ LYS 25 -3.154 -0.971 -6.158
174 3HZ LYS 25 3HZ LYS 25 -1.774 0.008 -6.123
175 H LYS 26 H LYS 26 0.491 -2.491 -0.778
176 HA LYS 26 HA LYS 26 2.113 -4.859 -1.440
177 1HB LYS 26 2HB LYS 26 0.827 -5.565 0.867
178 2HB LYS 26 1HB LYS 26 2.465 -4.945 0.777
179 1HG LYS 26 2HG LYS 26 1.776 -2.759 1.362
180 2HG LYS 26 1HG LYS 26 0.074 -3.169 1.148
181 1HD LYS 26 2HD LYS 26 0.193 -3.344 3.414
182 2HD LYS 26 1HD LYS 26 0.687 -4.985 2.993
183 1HE LYS 26 2HE LYS 26 2.920 -4.567 3.451
184 2HE LYS 26 1HE LYS 26 2.735 -2.824 3.260
185 1HZ LYS 26 1HZ LYS 26 1.248 -3.014 5.321
186 2HZ LYS 26 2HZ LYS 26 2.923 -3.109 5.535
187 3HZ LYS 26 3HZ LYS 26 1.988 -4.518 5.556
188 H TRP 27 H TRP 27 1.031 -6.845 -1.721
189 HA TRP 27 HA TRP 27 -1.830 -6.983 -1.628
190 1HB TRP 27 2HB TRP 27 -2.125 -7.553 -4.028
191 2HB TRP 27 1HB TRP 27 -1.677 -5.888 -3.766
192 HD1 TRP 27 HD TRP 27 -0.637 -8.960 -5.481
193 HE1 TRP 27 1HE TRP 27 1.480 -8.533 -6.859
194 HE3 TRP 27 3HE TRP 27 0.579 -4.356 -3.671
195 HZ2 TRP 27 2HZ TRP 27 3.427 -6.508 -7.152
196 HZ3 TRP 27 3HZ TRP 27 2.581 -3.234 -4.555
197 HH2 TRP 27 HH TRP 27 3.975 -4.288 -6.258
198 H TRP 28 H TRP 28 -2.648 -9.080 -2.371
199 HA TRP 28 HA TRP 28 -0.775 -11.239 -2.717
200 1HB TRP 28 2HB TRP 28 -1.551 -12.453 -0.652
201 2HB TRP 28 1HB TRP 28 -0.556 -11.037 -0.333
202 HD1 TRP 28 HD TRP 28 -4.085 -12.333 0.059
203 HE1 TRP 28 1HE TRP 28 -5.347 -10.752 1.609
204 HE3 TRP 28 3HE TRP 28 -0.631 -8.591 0.448
205 HZ2 TRP 28 2HZ TRP 28 -4.977 -8.256 2.865
206 HZ3 TRP 28 3HZ TRP 28 -1.163 -6.637 1.846
207 HH2 TRP 28 HH TRP 28 -3.296 -6.475 3.029
208 H SER 29 H SER 29 -2.073 -13.410 -2.452
209 HA SER 29 HA SER 29 -4.850 -13.102 -3.310
210 1HB SER 29 2HB SER 29 -2.695 -14.499 -4.905
211 2HB SER 29 1HB SER 29 -4.421 -14.785 -5.162
212 HG SER 29 HG SER 29 -3.081 -12.289 -5.377
213 H ASP 30 H ASP 30 -5.654 -14.096 -1.515
214 HA ASP 30 HA ASP 30 -4.913 -16.925 -1.162
215 1HB ASP 30 2HB ASP 30 -4.295 -15.011 0.660
216 2HB ASP 30 1HB ASP 30 -5.890 -15.501 1.236
217 H HIS 31 H HIS 31 -6.821 -17.453 0.860
218 HA HIS 31 HA HIS 31 -9.043 -18.198 -0.589
219 1HB HIS 31 2HB HIS 31 -10.167 -18.557 1.552
220 2HB HIS 31 1HB HIS 31 -8.495 -19.100 1.632
221 HD1 HIS 31 1HD HIS 31 -10.781 -17.576 3.724
222 HD2 HIS 31 2HD HIS 31 -6.896 -16.583 2.635
223 HE1 HIS 31 1HE HIS 31 -9.935 -16.069 5.551
224 HE2 HIS 31 2HE HIS 31 -7.554 -15.551 4.913
225 H ARG 32 H ARG 32 -8.515 -15.216 1.236
226 HA ARG 32 HA ARG 32 -11.120 -14.180 0.963
227 1HB ARG 32 2HB ARG 32 -8.487 -12.730 1.307
228 2HB ARG 32 1HB ARG 32 -10.082 -12.027 1.551
229 1HG ARG 32 2HG ARG 32 -10.432 -13.146 3.519
230 2HG ARG 32 1HG ARG 32 -9.335 -14.460 3.090
231 1HD ARG 32 2HD ARG 32 -8.498 -11.644 3.772
232 2HD ARG 32 1HD ARG 32 -8.439 -13.015 4.877
233 HE ARG 32 HE ARG 32 -6.999 -13.445 2.428
234 1HH1 ARG 32 1HH1 ARG 32 -6.820 -12.143 5.661
235 2HH1 ARG 32 2HH1 ARG 32 -5.098 -12.292 5.760
236 1HH2 ARG 32 1HH2 ARG 32 -4.735 -13.642 2.556
237 2HH2 ARG 32 2HH2 ARG 32 -3.913 -13.144 3.997
238 H GLY 33 H GLY 33 -8.379 -14.294 -1.170
239 1HA GLY 33 2HA GLY 33 -8.890 -14.103 -3.561
240 2HA GLY 33 1HA GLY 33 -9.922 -12.734 -3.151
241 H THR 34 H THR 34 -8.846 -11.312 -4.518
242 HA THR 34 HA THR 34 -6.002 -10.842 -4.062
243 HB THR 34 HB THR 34 -7.704 -9.283 -5.984
244 HG1 THR 34 1HG THR 34 -8.212 -11.313 -6.590
245 1HG2 THR 34 1HG2 THR 34 -5.714 -8.431 -6.465
246 2HG2 THR 34 2HG2 THR 34 -5.347 -9.989 -7.209
247 3HG2 THR 34 3HG2 THR 34 -4.866 -9.672 -5.542
248 H ILE 35 H ILE 35 -5.386 -9.443 -2.561
249 HA ILE 35 HA ILE 35 -7.114 -7.110 -2.026
250 HB ILE 35 HB ILE 35 -5.403 -8.545 0.004
251 1HG1 ILE 35 2HG1 ILE 35 -7.915 -8.849 0.916
252 2HG1 ILE 35 1HG1 ILE 35 -8.240 -8.845 -0.815
253 1HG2 ILE 35 1HG2 ILE 35 -6.958 -6.034 0.016
254 2HG2 ILE 35 2HG2 ILE 35 -5.518 -6.484 0.930
255 3HG2 ILE 35 3HG2 ILE 35 -7.105 -7.057 1.446
256 1HD1 ILE 35 1HD1 ILE 35 -7.723 -10.991 -0.849
257 2HD1 ILE 35 2HD1 ILE 35 -7.198 -10.937 0.834
258 3HD1 ILE 35 3HD1 ILE 35 -6.060 -10.556 -0.457
259 H ILE 36 H ILE 36 -6.089 -5.140 -1.560
260 HA ILE 36 HA ILE 36 -3.178 -5.031 -1.858
261 HB ILE 36 HB ILE 36 -3.386 -3.118 -3.439
262 1HG1 ILE 36 2HG1 ILE 36 -5.996 -3.802 -4.468
263 2HG1 ILE 36 1HG1 ILE 36 -6.117 -3.317 -2.780
264 1HG2 ILE 36 1HG2 ILE 36 -4.563 -4.919 -5.222
265 2HG2 ILE 36 2HG2 ILE 36 -3.787 -5.913 -3.989
266 3HG2 ILE 36 3HG2 ILE 36 -2.845 -4.718 -4.879
267 1HD1 ILE 36 1HD1 ILE 36 -6.345 -1.300 -3.804
268 2HD1 ILE 36 2HD1 ILE 36 -5.306 -1.743 -5.158
269 3HD1 ILE 36 3HD1 ILE 36 -4.594 -1.333 -3.598
270 H GLU 37 H GLU 37 -2.350 -3.804 -0.266
271 HA GLU 37 HA GLU 37 -4.015 -1.612 0.785
272 1HB GLU 37 2HB GLU 37 -2.252 -2.094 2.810
273 2HB GLU 37 1HB GLU 37 -3.894 -2.730 2.733
274 1HG GLU 37 2HG GLU 37 -3.142 -4.821 1.944
275 2HG GLU 37 1HG GLU 37 -1.522 -4.204 1.628
276 H ARG 38 H ARG 38 -2.708 0.164 1.806
277 HA ARG 38 HA ARG 38 -0.038 0.480 0.670
278 1HB ARG 38 2HB ARG 38 -2.188 2.559 0.250
279 2HB ARG 38 1HB ARG 38 -0.531 2.623 -0.332
280 1HG ARG 38 2HG ARG 38 -1.529 1.930 -2.234
281 2HG ARG 38 1HG ARG 38 -1.268 0.350 -1.495
282 1HD ARG 38 2HD ARG 38 -3.457 -0.007 -1.659
283 2HD ARG 38 1HD ARG 38 -3.698 1.261 -0.458
284 HE ARG 38 HE ARG 38 -3.482 2.634 -2.782
285 1HH1 ARG 38 1HH1 ARG 38 -5.467 -0.048 -1.760
286 2HH1 ARG 38 2HH1 ARG 38 -6.787 0.370 -2.799
287 1HH2 ARG 38 1HH2 ARG 38 -5.217 3.186 -4.151
288 2HH2 ARG 38 2HH2 ARG 38 -6.645 2.206 -4.158
289 H GLY 39 H GLY 39 0.885 2.694 1.412
290 1HA GLY 39 2HA GLY 39 -0.070 4.042 3.651
291 2HA GLY 39 1HA GLY 39 0.885 2.693 4.244
292 H CYS 40 H CYS 40 2.147 4.526 5.167
293 HA CYS 40 HA CYS 40 4.009 5.664 3.190
294 1HB CYS 40 2HB CYS 40 2.830 6.693 5.713
295 2HB CYS 40 1HB CYS 40 4.511 7.121 5.397
296 H GLY 41 H GLY 41 5.927 4.705 3.112
297 1HA GLY 41 2HA GLY 41 7.909 4.448 4.783
298 2HA GLY 41 1HA GLY 41 6.861 3.201 5.457
299 H CYS 42 H CYS 42 8.677 1.773 4.993
300 HA CYS 42 HA CYS 42 8.307 0.447 2.473
301 1HB CYS 42 2HB CYS 42 9.920 2.215 1.849
302 2HB CYS 42 1HB CYS 42 11.023 1.632 3.098
303 HA PRO 43 HA PRO 43 9.875 -2.074 6.128
304 1HB PRO 43 2HB PRO 43 7.592 -3.158 7.017
305 2HB PRO 43 1HB PRO 43 8.103 -1.538 7.523
306 1HG PRO 43 2HG PRO 43 6.093 -2.331 5.449
307 2HG PRO 43 1HG PRO 43 5.995 -1.047 6.673
308 1HD PRO 43 2HD PRO 43 6.671 -0.621 4.043
309 2HD PRO 43 1HD PRO 43 7.173 0.432 5.384
310 H LYS 44 H LYS 44 9.510 -4.500 6.458
311 HA LYS 44 HA LYS 44 9.216 -5.739 3.813
312 1HB LYS 44 2HB LYS 44 11.231 -5.955 5.679
313 2HB LYS 44 1HB LYS 44 10.291 -7.414 5.962
314 1HG LYS 44 2HG LYS 44 10.451 -7.498 3.287
315 2HG LYS 44 1HG LYS 44 11.951 -6.642 3.652
316 1HD LYS 44 2HD LYS 44 12.535 -8.451 5.247
317 2HD LYS 44 1HD LYS 44 11.085 -9.320 4.741
318 1HE LYS 44 2HE LYS 44 11.929 -9.433 2.461
319 2HE LYS 44 1HE LYS 44 13.357 -8.511 2.928
320 1HZ LYS 44 1HZ LYS 44 13.471 -10.512 4.674
321 2HZ LYS 44 2HZ LYS 44 14.229 -10.555 3.163
322 3HZ LYS 44 3HZ LYS 44 12.730 -11.309 3.377
323 H VAL 45 H VAL 45 8.580 -8.210 4.112
324 HA VAL 45 HA VAL 45 6.405 -8.498 6.040
325 HB VAL 45 HB VAL 45 4.905 -9.383 4.217
326 1HG1 VAL 45 1HG1 VAL 45 5.142 -6.891 5.231
327 2HG1 VAL 45 2HG1 VAL 45 3.879 -7.381 4.103
328 3HG1 VAL 45 3HG1 VAL 45 5.320 -6.557 3.507
329 1HG2 VAL 45 1HG2 VAL 45 6.749 -9.645 2.548
330 2HG2 VAL 45 2HG2 VAL 45 6.770 -7.890 2.380
331 3HG2 VAL 45 3HG2 VAL 45 5.326 -8.801 1.939
332 H LYS 46 H LYS 46 5.339 -10.810 5.503
333 HA LYS 46 HA LYS 46 7.449 -12.675 5.908
334 1HB LYS 46 2HB LYS 46 4.476 -12.744 6.038
335 2HB LYS 46 1HB LYS 46 5.330 -14.269 5.878
336 1HG LYS 46 2HG LYS 46 5.774 -12.241 8.058
337 2HG LYS 46 1HG LYS 46 4.832 -13.725 8.209
338 1HD LYS 46 2HD LYS 46 6.994 -14.907 7.436
339 2HD LYS 46 1HD LYS 46 7.793 -13.393 7.867
340 1HE LYS 46 2HE LYS 46 6.244 -13.845 10.063
341 2HE LYS 46 1HE LYS 46 6.659 -15.489 9.579
342 1HZ LYS 46 1HZ LYS 46 8.811 -13.511 9.668
343 2HZ LYS 46 2HZ LYS 46 8.850 -15.165 10.020
344 3HZ LYS 46 3HZ LYS 46 8.208 -14.078 11.144
345 HA PRO 47 HA PRO 47 7.602 -14.443 1.876
346 1HB PRO 47 2HB PRO 47 7.653 -17.164 2.469
347 2HB PRO 47 1HB PRO 47 9.032 -16.083 2.468
348 1HG PRO 47 2HG PRO 47 7.777 -17.348 4.671
349 2HG PRO 47 1HG PRO 47 9.228 -16.351 4.656
350 1HD PRO 47 2HD PRO 47 6.554 -15.670 5.517
351 2HD PRO 47 1HD PRO 47 8.062 -14.753 5.695
352 H GLY 48 H GLY 48 5.529 -13.833 1.133
353 1HA GLY 48 2HA GLY 48 3.979 -15.727 -0.064
354 2HA GLY 48 1HA GLY 48 3.248 -15.546 1.531
355 H VAL 49 H VAL 49 3.987 -12.695 1.665
356 HA VAL 49 HA VAL 49 1.814 -11.674 -0.025
357 HB VAL 49 HB VAL 49 3.119 -10.367 2.369
358 1HG1 VAL 49 1HG1 VAL 49 0.630 -9.272 2.072
359 2HG1 VAL 49 2HG1 VAL 49 1.149 -9.484 0.400
360 3HG1 VAL 49 3HG1 VAL 49 2.138 -8.544 1.517
361 1HG2 VAL 49 1HG2 VAL 49 0.908 -12.308 2.121
362 2HG2 VAL 49 2HG2 VAL 49 0.631 -10.941 3.199
363 3HG2 VAL 49 3HG2 VAL 49 2.011 -12.007 3.463
364 H ASN 50 H ASN 50 2.124 -10.036 -1.473
365 HA ASN 50 HA ASN 50 4.898 -9.391 -2.111
366 1HB ASN 50 2HB ASN 50 2.641 -8.357 -3.763
367 2HB ASN 50 1HB ASN 50 4.221 -8.960 -4.266
368 1HD2 ASN 50 1HD2 ASN 50 0.937 -9.695 -3.760
369 2HD2 ASN 50 2HD2 ASN 50 1.007 -11.377 -4.184
370 H LEU 51 H LEU 51 5.674 -7.286 -2.322
371 HA LEU 51 HA LEU 51 4.041 -5.016 -1.683
372 1HB LEU 51 2HB LEU 51 4.381 -5.783 0.555
373 2HB LEU 51 1HB LEU 51 6.089 -6.049 0.269
374 HG LEU 51 HG LEU 51 6.175 -3.483 -0.139
375 1HD1 LEU 51 1HD1 LEU 51 4.494 -2.167 0.716
376 2HD1 LEU 51 2HD1 LEU 51 3.856 -3.456 1.736
377 3HD1 LEU 51 3HD1 LEU 51 3.576 -3.488 -0.006
378 1HD2 LEU 51 1HD2 LEU 51 7.037 -3.293 1.946
379 2HD2 LEU 51 2HD2 LEU 51 6.877 -5.049 1.901
380 3HD2 LEU 51 3HD2 LEU 51 5.651 -4.072 2.711
381 H ASN 52 H ASN 52 5.040 -3.056 -2.221
382 HA ASN 52 HA ASN 52 7.845 -3.053 -2.950
383 1HB ASN 52 2HB ASN 52 7.655 -2.732 -5.230
384 2HB ASN 52 1HB ASN 52 6.350 -3.875 -4.941
385 1HD2 ASN 52 1HD2 ASN 52 4.315 -2.426 -4.055
386 2HD2 ASN 52 2HD2 ASN 52 3.850 -1.223 -5.203
387 H CYS 53 H CYS 53 8.741 -1.179 -2.419
388 HA CYS 53 HA CYS 53 7.069 1.026 -1.589
389 1HB CYS 53 2HB CYS 53 10.062 1.123 -1.628
390 2HB CYS 53 1HB CYS 53 8.933 1.845 -0.487
391 H CYS 54 H CYS 54 7.319 3.178 -2.340
392 HA CYS 54 HA CYS 54 8.875 3.773 -4.676
393 1HB CYS 54 2HB CYS 54 6.746 4.502 -5.956
394 2HB CYS 54 1HB CYS 54 7.206 2.801 -5.984
395 H ARG 55 H ARG 55 8.763 5.913 -5.330
396 HA ARG 55 HA ARG 55 7.767 7.712 -3.245
397 1HB ARG 55 2HB ARG 55 9.987 8.795 -4.686
398 2HB ARG 55 1HB ARG 55 9.841 8.443 -2.973
399 1HG ARG 55 2HG ARG 55 10.633 6.206 -3.314
400 2HG ARG 55 1HG ARG 55 10.647 6.441 -5.064
401 1HD ARG 55 2HD ARG 55 12.310 8.003 -3.091
402 2HD ARG 55 1HD ARG 55 12.889 6.629 -4.034
403 HE ARG 55 HE ARG 55 11.790 8.502 -5.786
404 1HH1 ARG 55 1HH1 ARG 55 14.521 8.176 -3.640
405 2HH1 ARG 55 2HH1 ARG 55 15.532 9.238 -4.561
406 1HH2 ARG 55 1HH2 ARG 55 13.120 9.901 -7.001
407 2HH2 ARG 55 2HH2 ARG 55 14.736 10.217 -6.469
408 H THR 56 H THR 56 6.296 6.987 -5.590
409 HA THR 56 HA THR 56 6.379 9.511 -7.109
410 HB THR 56 HB THR 56 4.866 7.318 -8.328
411 HG1 THR 56 1HG THR 56 6.500 6.053 -7.458
412 1HG2 THR 56 1HG2 THR 56 5.441 9.335 -9.559
413 2HG2 THR 56 2HG2 THR 56 6.152 7.902 -10.303
414 3HG2 THR 56 3HG2 THR 56 7.155 8.987 -9.340
415 H ASP 57 H ASP 57 4.348 10.424 -7.762
416 HA ASP 57 HA ASP 57 2.443 10.516 -5.695
417 1HB ASP 57 2HB ASP 57 2.786 11.727 -8.352
418 2HB ASP 57 1HB ASP 57 1.100 11.532 -7.862
419 H ARG 58 H ARG 58 0.894 9.126 -5.193
420 HA ARG 58 HA ARG 58 -0.635 7.446 -5.319
421 1HB ARG 58 2HB ARG 58 -0.919 8.429 -8.167
422 2HB ARG 58 1HB ARG 58 -2.060 7.379 -7.327
423 1HG ARG 58 2HG ARG 58 -2.469 9.172 -5.693
424 2HG ARG 58 1HG ARG 58 -1.377 10.221 -6.599
425 1HD ARG 58 2HD ARG 58 -2.972 9.521 -8.598
426 2HD ARG 58 1HD ARG 58 -4.112 9.275 -7.274
427 HE ARG 58 HE ARG 58 -4.250 11.544 -7.019
428 1HH1 ARG 58 1HH1 ARG 58 -1.441 10.799 -8.951
429 2HH1 ARG 58 2HH1 ARG 58 -1.116 12.455 -9.342
430 1HH2 ARG 58 1HH2 ARG 58 -3.824 13.722 -7.532
431 2HH2 ARG 58 2HH2 ARG 58 -2.469 14.114 -8.535
432 H CYS 59 H CYS 59 2.151 6.866 -5.941
433 HA CYS 59 HA CYS 59 2.401 5.095 -8.103
434 1HB CYS 59 2HB CYS 59 4.484 4.453 -7.122
435 2HB CYS 59 1HB CYS 59 4.274 6.177 -6.823
436 H ASN 60 H ASN 60 1.049 4.702 -4.937
437 HA ASN 60 HA ASN 60 0.971 1.787 -5.263
438 1HB ASN 60 2HB ASN 60 0.322 1.736 -2.880
439 2HB ASN 60 1HB ASN 60 1.857 2.571 -3.132
440 1HD2 ASN 60 1HD2 ASN 60 1.587 3.613 -1.134
441 2HD2 ASN 60 2HD2 ASN 60 0.500 4.957 -0.959
442 H ASN 61 H ASN 61 -0.807 4.018 -6.503
443 HA ASN 61 HA ASN 61 -3.399 3.708 -5.454
444 1HB ASN 61 2HB ASN 61 -4.144 4.725 -7.540
445 2HB ASN 61 1HB ASN 61 -2.731 5.568 -6.926
446 1HD2 ASN 61 1HD2 ASN 61 -3.634 5.678 -9.581
447 2HD2 ASN 61 2HD2 ASN 61 -2.420 4.958 -10.593
Start of MODEL 6
1 1H LEU 1 1HT LEU 1 3.961 14.981 0.284
2 2H LEU 1 2HT LEU 1 5.384 14.022 0.257
3 3H LEU 1 3HT LEU 1 4.110 13.642 1.343
4 HA LEU 1 HA LEU 1 4.109 13.439 -1.590
5 1HB LEU 1 2HB LEU 1 4.768 11.696 0.553
6 2HB LEU 1 1HB LEU 1 3.288 11.110 -0.181
7 HG LEU 1 HG LEU 1 5.206 10.051 -1.194
8 1HD1 LEU 1 1HD1 LEU 1 3.334 10.366 -2.641
9 2HD1 LEU 1 2HD1 LEU 1 4.812 10.651 -3.560
10 3HD1 LEU 1 3HD1 LEU 1 3.842 12.016 -3.007
11 1HD2 LEU 1 1HD2 LEU 1 7.083 11.289 -1.144
12 2HD2 LEU 1 2HD2 LEU 1 6.203 12.809 -1.297
13 3HD2 LEU 1 3HD2 LEU 1 6.529 11.832 -2.728
14 H GLU 2 H GLU 2 2.087 11.655 -1.799
15 HA GLU 2 HA GLU 2 -0.266 12.508 -0.400
16 1HB GLU 2 2HB GLU 2 0.455 13.809 -2.882
17 2HB GLU 2 1HB GLU 2 -1.078 12.964 -3.046
18 1HG GLU 2 2HG GLU 2 -1.998 14.157 -1.182
19 2HG GLU 2 1HG GLU 2 -0.440 14.912 -0.848
20 H CYS 3 H CYS 3 0.830 10.064 -0.513
21 HA CYS 3 HA CYS 3 -0.341 8.474 -2.605
22 1HB CYS 3 2HB CYS 3 1.138 7.717 -0.079
23 2HB CYS 3 1HB CYS 3 0.643 6.584 -1.335
24 H HIS 4 H HIS 4 -1.309 6.267 -1.562
25 HA HIS 4 HA HIS 4 -3.727 7.161 -0.183
26 1HB HIS 4 2HB HIS 4 -3.122 4.533 -1.561
27 2HB HIS 4 1HB HIS 4 -4.684 5.010 -0.890
28 HD1 HIS 4 1HD HIS 4 -6.016 6.839 -2.187
29 HD2 HIS 4 2HD HIS 4 -2.515 5.600 -4.057
30 HE1 HIS 4 1HE HIS 4 -6.167 7.708 -4.542
31 HE2 HIS 4 2HE HIS 4 -4.056 6.918 -5.665
32 H ASN 5 H ASN 5 -4.653 5.038 1.110
33 HA ASN 5 HA ASN 5 -2.786 3.572 2.636
34 1HB ASN 5 2HB ASN 5 -3.243 4.750 4.840
35 2HB ASN 5 1HB ASN 5 -2.173 5.596 3.719
36 1HD2 ASN 5 1HD2 ASN 5 -5.266 5.564 5.270
37 2HD2 ASN 5 2HD2 ASN 5 -5.747 7.168 4.810
38 H GLN 6 H GLN 6 -5.237 3.113 1.249
39 HA GLN 6 HA GLN 6 -6.844 2.063 3.476
40 1HB GLN 6 2HB GLN 6 -8.893 2.634 2.403
41 2HB GLN 6 1HB GLN 6 -7.905 4.088 2.419
42 1HG GLN 6 2HG GLN 6 -8.128 2.248 0.050
43 2HG GLN 6 1HG GLN 6 -9.147 3.665 0.296
44 1HE2 GLN 6 1HE2 GLN 6 -7.613 3.426 -1.948
45 2HE2 GLN 6 2HE2 GLN 6 -6.325 4.590 -1.905
46 H GLN 7 H GLN 7 -7.574 0.001 3.249
47 HA GLN 7 HA GLN 7 -6.671 -1.434 0.856
48 1HB GLN 7 2HB GLN 7 -7.277 -3.436 2.505
49 2HB GLN 7 1HB GLN 7 -5.717 -2.632 2.547
50 1HG GLN 7 2HG GLN 7 -6.458 -1.255 4.405
51 2HG GLN 7 1HG GLN 7 -8.053 -2.003 4.340
52 1HE2 GLN 7 1HE2 GLN 7 -4.840 -2.252 5.465
53 2HE2 GLN 7 2HE2 GLN 7 -5.001 -3.774 6.285
54 H SER 8 H SER 8 -8.061 -2.541 -0.425
55 HA SER 8 HA SER 8 -10.030 -3.121 -1.409
56 1HB SER 8 2HB SER 8 -11.187 -3.405 1.362
57 2HB SER 8 1HB SER 8 -11.588 -4.322 -0.095
58 HG SER 8 HG SER 8 -9.109 -4.403 1.290
59 H SER 9 H SER 9 -12.664 -2.713 -0.873
60 HA SER 9 HA SER 9 -14.333 -1.174 -0.970
61 1HB SER 9 2HB SER 9 -12.462 -0.038 1.015
62 2HB SER 9 1HB SER 9 -13.578 1.117 0.286
63 HG SER 9 HG SER 9 -14.258 -0.126 2.255
64 H GLN 10 H GLN 10 -14.482 -0.656 -3.077
65 HA GLN 10 HA GLN 10 -12.665 0.597 -4.700
66 1HB GLN 10 2HB GLN 10 -15.632 1.074 -4.929
67 2HB GLN 10 1HB GLN 10 -14.437 0.991 -6.221
68 1HG GLN 10 2HG GLN 10 -15.160 -1.090 -6.498
69 2HG GLN 10 1HG GLN 10 -14.184 -1.465 -5.074
70 1HE2 GLN 10 1HE2 GLN 10 -15.198 -2.555 -3.565
71 2HE2 GLN 10 2HE2 GLN 10 -16.905 -2.530 -3.249
72 H ALA 11 H ALA 11 -13.140 2.821 -5.796
73 HA ALA 11 HA ALA 11 -13.048 5.088 -5.656
74 1HB ALA 11 1HB ALA 11 -15.064 4.402 -3.579
75 2HB ALA 11 2HB ALA 11 -15.237 5.358 -5.050
76 3HB ALA 11 3HB ALA 11 -14.445 6.053 -3.636
77 HA PRO 12 HA PRO 12 -9.610 4.344 -2.474
78 1HB PRO 12 2HB PRO 12 -8.360 5.839 -4.751
79 2HB PRO 12 1HB PRO 12 -7.665 4.583 -3.714
80 1HG PRO 12 2HG PRO 12 -8.478 3.912 -6.117
81 2HG PRO 12 1HG PRO 12 -8.914 2.884 -4.729
82 1HD PRO 12 2HD PRO 12 -10.601 4.873 -6.211
83 2HD PRO 12 1HD PRO 12 -11.037 3.260 -5.600
84 H THR 13 H THR 13 -8.187 6.054 -1.520
85 HA THR 13 HA THR 13 -9.009 8.803 -1.889
86 HB THR 13 HB THR 13 -9.265 8.746 0.809
87 HG1 THR 13 1HG THR 13 -10.084 6.917 1.499
88 1HG2 THR 13 1HG2 THR 13 -11.311 8.509 -1.345
89 2HG2 THR 13 2HG2 THR 13 -10.937 9.872 -0.290
90 3HG2 THR 13 3HG2 THR 13 -11.799 8.473 0.350
91 H THR 14 H THR 14 -7.331 10.130 -1.561
92 HA THR 14 HA THR 14 -4.894 8.981 -0.425
93 HB THR 14 HB THR 14 -4.418 9.930 -2.509
94 HG1 THR 14 1HG THR 14 -2.894 10.695 -1.114
95 1HG2 THR 14 1HG2 THR 14 -5.051 12.547 -2.671
96 2HG2 THR 14 2HG2 THR 14 -6.450 11.918 -1.800
97 3HG2 THR 14 3HG2 THR 14 -6.010 11.243 -3.369
98 H LYS 15 H LYS 15 -3.480 10.532 0.820
99 HA LYS 15 HA LYS 15 -4.875 12.529 2.384
100 1HB LYS 15 2HB LYS 15 -4.521 9.839 3.338
101 2HB LYS 15 1HB LYS 15 -3.581 10.943 4.329
102 1HG LYS 15 2HG LYS 15 -6.332 11.803 3.743
103 2HG LYS 15 1HG LYS 15 -6.176 10.363 4.751
104 1HD LYS 15 2HD LYS 15 -4.799 12.995 5.280
105 2HD LYS 15 1HD LYS 15 -6.291 12.465 6.057
106 1HE LYS 15 2HE LYS 15 -5.213 11.071 7.448
107 2HE LYS 15 1HE LYS 15 -4.111 10.514 6.190
108 1HZ LYS 15 1HZ LYS 15 -3.706 13.236 7.122
109 2HZ LYS 15 2HZ LYS 15 -2.571 12.041 6.742
110 3HZ LYS 15 3HZ LYS 15 -3.352 12.018 8.242
111 H THR 16 H THR 16 -3.043 12.839 4.427
112 HA THR 16 HA THR 16 -0.517 13.342 2.996
113 HB THR 16 HB THR 16 -1.734 15.127 5.110
114 HG1 THR 16 1HG THR 16 -2.161 16.521 3.343
115 1HG2 THR 16 1HG2 THR 16 0.190 16.272 3.256
116 2HG2 THR 16 2HG2 THR 16 0.872 15.021 4.295
117 3HG2 THR 16 3HG2 THR 16 0.070 16.419 5.009
118 H CYS 17 H CYS 17 1.266 12.576 3.939
119 HA CYS 17 HA CYS 17 1.018 11.237 6.503
120 1HB CYS 17 2HB CYS 17 3.250 11.355 4.469
121 2HB CYS 17 1HB CYS 17 3.373 10.484 5.999
122 H SER 18 H SER 18 3.307 11.395 7.766
123 HA SER 18 HA SER 18 3.326 14.062 8.819
124 1HB SER 18 2HB SER 18 5.372 12.929 10.120
125 2HB SER 18 1HB SER 18 3.694 12.597 10.544
126 HG SER 18 HG SER 18 5.261 10.761 10.133
127 H GLY 19 H GLY 19 5.748 12.014 7.192
128 1HA GLY 19 2HA GLY 19 6.816 13.961 5.553
129 2HA GLY 19 1HA GLY 19 7.709 14.085 7.068
130 H GLU 20 H GLU 20 6.508 11.408 5.034
131 HA GLU 20 HA GLU 20 8.915 9.894 5.550
132 1HB GLU 20 2HB GLU 20 6.257 9.374 4.412
133 2HB GLU 20 1HB GLU 20 7.562 8.494 3.618
134 1HG GLU 20 2HG GLU 20 7.023 8.471 6.580
135 2HG GLU 20 1HG GLU 20 6.495 7.231 5.443
136 H THR 21 H THR 21 9.677 8.641 3.397
137 HA THR 21 HA THR 21 10.446 10.769 1.513
138 HB THR 21 HB THR 21 12.267 8.813 1.053
139 HG1 THR 21 1HG THR 21 11.631 7.470 2.692
140 1HG2 THR 21 1HG2 THR 21 12.259 11.307 2.477
141 2HG2 THR 21 2HG2 THR 21 13.533 10.565 1.509
142 3HG2 THR 21 3HG2 THR 21 13.376 10.161 3.219
143 H ASN 22 H ASN 22 9.242 7.491 1.812
144 HA ASN 22 HA ASN 22 8.222 7.624 -0.899
145 1HB ASN 22 2HB ASN 22 9.562 5.046 -0.393
146 2HB ASN 22 1HB ASN 22 9.474 6.005 -1.872
147 1HD2 ASN 22 1HD2 ASN 22 11.255 5.313 1.002
148 2HD2 ASN 22 2HD2 ASN 22 12.666 6.244 0.607
149 H CYS 23 H CYS 23 6.420 6.358 -1.224
150 HA CYS 23 HA CYS 23 5.192 5.274 1.163
151 1HB CYS 23 2HB CYS 23 3.984 5.366 -1.595
152 2HB CYS 23 1HB CYS 23 3.168 5.365 -0.036
153 H TYR 24 H TYR 24 3.536 3.344 0.058
154 HA TYR 24 HA TYR 24 5.082 1.436 -1.419
155 1HB TYR 24 2HB TYR 24 5.037 -0.319 0.343
156 2HB TYR 24 1HB TYR 24 6.095 1.037 0.726
157 HD1 TYR 24 1HD TYR 24 2.806 -0.488 1.468
158 HD2 TYR 24 2HD TYR 24 5.741 2.342 2.676
159 HE1 TYR 24 1HE TYR 24 1.650 -0.216 3.621
160 HE2 TYR 24 2HE TYR 24 4.595 2.622 4.833
161 HH TYR 24 HH TYR 24 2.572 2.249 5.911
162 H LYS 25 H LYS 25 3.931 -0.714 -1.477
163 HA LYS 25 HA LYS 25 1.082 -0.646 -1.019
164 1HB LYS 25 2HB LYS 25 1.673 0.491 -3.314
165 2HB LYS 25 1HB LYS 25 1.906 -1.170 -3.852
166 1HG LYS 25 2HG LYS 25 -0.443 -1.576 -2.865
167 2HG LYS 25 1HG LYS 25 -0.598 0.180 -2.935
168 1HD LYS 25 2HD LYS 25 -0.837 0.179 -5.164
169 2HD LYS 25 1HD LYS 25 0.463 -0.993 -5.391
170 1HE LYS 25 2HE LYS 25 -0.954 -2.747 -5.436
171 2HE LYS 25 1HE LYS 25 -2.003 -2.063 -4.193
172 1HZ LYS 25 1HZ LYS 25 -1.957 -0.922 -6.913
173 2HZ LYS 25 2HZ LYS 25 -3.177 -0.836 -5.745
174 3HZ LYS 25 3HZ LYS 25 -2.897 -2.286 -6.569
175 H LYS 26 H LYS 26 0.701 -2.569 -0.179
176 HA LYS 26 HA LYS 26 2.236 -4.868 -1.189
177 1HB LYS 26 2HB LYS 26 1.243 -5.721 1.207
178 2HB LYS 26 1HB LYS 26 2.844 -5.056 0.962
179 1HG LYS 26 2HG LYS 26 2.096 -2.870 1.655
180 2HG LYS 26 1HG LYS 26 0.440 -3.458 1.800
181 1HD LYS 26 2HD LYS 26 0.878 -4.630 3.723
182 2HD LYS 26 1HD LYS 26 2.580 -4.861 3.320
183 1HE LYS 26 2HE LYS 26 3.040 -3.205 4.732
184 2HE LYS 26 1HE LYS 26 2.290 -2.109 3.573
185 1HZ LYS 26 1HZ LYS 26 1.480 -2.322 6.077
186 2HZ LYS 26 2HZ LYS 26 0.497 -3.514 5.389
187 3HZ LYS 26 3HZ LYS 26 0.428 -1.925 4.812
188 H TRP 27 H TRP 27 1.184 -6.872 -1.415
189 HA TRP 27 HA TRP 27 -1.648 -7.072 -1.022
190 1HB TRP 27 2HB TRP 27 -2.185 -7.587 -3.393
191 2HB TRP 27 1HB TRP 27 -1.744 -5.922 -3.129
192 HD1 TRP 27 HD TRP 27 -0.759 -8.959 -4.966
193 HE1 TRP 27 1HE TRP 27 1.164 -8.421 -6.572
194 HE3 TRP 27 3HE TRP 27 0.368 -4.278 -3.315
195 HZ2 TRP 27 2HZ TRP 27 2.940 -6.284 -7.086
196 HZ3 TRP 27 3HZ TRP 27 2.187 -3.042 -4.419
197 HH2 TRP 27 HH TRP 27 3.448 -4.026 -6.263
198 H TRP 28 H TRP 28 -2.502 -9.169 -1.765
199 HA TRP 28 HA TRP 28 -0.623 -11.282 -2.310
200 1HB TRP 28 2HB TRP 28 -1.214 -12.548 -0.213
201 2HB TRP 28 1HB TRP 28 -0.223 -11.118 0.055
202 HD1 TRP 28 HD TRP 28 -3.690 -12.487 0.688
203 HE1 TRP 28 1HE TRP 28 -4.861 -10.957 2.359
204 HE3 TRP 28 3HE TRP 28 -0.281 -8.682 0.889
205 HZ2 TRP 28 2HZ TRP 28 -4.440 -8.477 3.628
206 HZ3 TRP 28 3HZ TRP 28 -0.744 -6.765 2.361
207 HH2 TRP 28 HH TRP 28 -2.784 -6.667 3.701
208 H SER 29 H SER 29 -1.870 -13.482 -1.974
209 HA SER 29 HA SER 29 -4.657 -13.124 -2.852
210 1HB SER 29 2HB SER 29 -2.432 -14.573 -4.185
211 2HB SER 29 1HB SER 29 -4.013 -15.366 -4.192
212 HG SER 29 HG SER 29 -3.621 -12.676 -4.993
213 H ASP 30 H ASP 30 -5.579 -13.710 -0.926
214 HA ASP 30 HA ASP 30 -4.770 -16.205 0.343
215 1HB ASP 30 2HB ASP 30 -5.569 -13.835 1.403
216 2HB ASP 30 1HB ASP 30 -7.087 -14.734 1.433
217 H HIS 31 H HIS 31 -7.245 -16.936 1.459
218 HA HIS 31 HA HIS 31 -8.313 -18.504 -0.665
219 1HB HIS 31 2HB HIS 31 -10.006 -19.184 1.104
220 2HB HIS 31 1HB HIS 31 -8.318 -19.497 1.491
221 HD1 HIS 31 1HD HIS 31 -11.036 -16.966 2.262
222 HD2 HIS 31 2HD HIS 31 -7.479 -18.415 3.847
223 HE1 HIS 31 1HE HIS 31 -10.831 -15.905 4.532
224 HE2 HIS 31 2HE HIS 31 -8.628 -16.728 5.437
225 H ARG 32 H ARG 32 -9.499 -15.713 1.169
226 HA ARG 32 HA ARG 32 -12.053 -15.595 -0.011
227 1HB ARG 32 2HB ARG 32 -10.333 -13.724 1.540
228 2HB ARG 32 1HB ARG 32 -11.685 -13.033 0.642
229 1HG ARG 32 2HG ARG 32 -12.879 -15.133 1.894
230 2HG ARG 32 1HG ARG 32 -11.668 -14.648 3.083
231 1HD ARG 32 2HD ARG 32 -13.509 -12.672 1.765
232 2HD ARG 32 1HD ARG 32 -13.959 -13.540 3.231
233 HE ARG 32 HE ARG 32 -11.422 -12.202 3.413
234 1HH1 ARG 32 1HH1 ARG 32 -14.874 -11.852 3.787
235 2HH1 ARG 32 2HH1 ARG 32 -14.747 -10.526 4.894
236 1HH2 ARG 32 1HH2 ARG 32 -11.253 -10.460 4.870
237 2HH2 ARG 32 2HH2 ARG 32 -12.691 -9.736 5.509
238 H GLY 33 H GLY 33 -8.921 -14.460 -1.050
239 1HA GLY 33 2HA GLY 33 -9.226 -14.350 -3.690
240 2HA GLY 33 1HA GLY 33 -10.065 -12.875 -3.213
241 H THR 34 H THR 34 -8.854 -11.128 -3.418
242 HA THR 34 HA THR 34 -6.002 -11.301 -2.713
243 HB THR 34 HB THR 34 -7.076 -9.637 -4.992
244 HG1 THR 34 1HG THR 34 -5.775 -12.153 -5.114
245 1HG2 THR 34 1HG2 THR 34 -4.728 -9.318 -3.743
246 2HG2 THR 34 2HG2 THR 34 -4.971 -9.013 -5.463
247 3HG2 THR 34 3HG2 THR 34 -4.279 -10.544 -4.927
248 H ILE 35 H ILE 35 -5.157 -9.587 -1.604
249 HA ILE 35 HA ILE 35 -6.958 -7.319 -1.053
250 HB ILE 35 HB ILE 35 -5.191 -8.586 1.035
251 1HG1 ILE 35 2HG1 ILE 35 -8.177 -8.895 0.657
252 2HG1 ILE 35 1HG1 ILE 35 -6.977 -10.149 0.361
253 1HG2 ILE 35 1HG2 ILE 35 -7.064 -7.229 2.391
254 2HG2 ILE 35 2HG2 ILE 35 -6.987 -6.248 0.926
255 3HG2 ILE 35 3HG2 ILE 35 -5.530 -6.520 1.883
256 1HD1 ILE 35 1HD1 ILE 35 -8.018 -9.081 2.922
257 2HD1 ILE 35 2HD1 ILE 35 -6.349 -9.648 2.870
258 3HD1 ILE 35 3HD1 ILE 35 -7.666 -10.741 2.442
259 H ILE 36 H ILE 36 -5.933 -5.325 -0.574
260 HA ILE 36 HA ILE 36 -3.029 -5.223 -0.948
261 HB ILE 36 HB ILE 36 -3.153 -3.455 -2.589
262 1HG1 ILE 36 2HG1 ILE 36 -6.156 -3.773 -2.368
263 2HG1 ILE 36 1HG1 ILE 36 -5.215 -2.367 -1.884
264 1HG2 ILE 36 1HG2 ILE 36 -5.020 -5.252 -3.930
265 2HG2 ILE 36 2HG2 ILE 36 -3.727 -6.089 -3.073
266 3HG2 ILE 36 3HG2 ILE 36 -3.336 -4.883 -4.299
267 1HD1 ILE 36 1HD1 ILE 36 -6.236 -1.848 -3.949
268 2HD1 ILE 36 2HD1 ILE 36 -5.720 -3.374 -4.666
269 3HD1 ILE 36 3HD1 ILE 36 -4.528 -2.131 -4.284
270 H GLU 37 H GLU 37 -2.054 -3.830 0.433
271 HA GLU 37 HA GLU 37 -3.715 -1.724 1.646
272 1HB GLU 37 2HB GLU 37 -1.843 -2.217 3.575
273 2HB GLU 37 1HB GLU 37 -3.490 -2.844 3.582
274 1HG GLU 37 2HG GLU 37 -2.792 -4.931 2.738
275 2HG GLU 37 1HG GLU 37 -1.189 -4.321 2.338
276 H ARG 38 H ARG 38 -2.410 0.073 2.583
277 HA ARG 38 HA ARG 38 0.223 0.433 1.383
278 1HB ARG 38 2HB ARG 38 -2.016 2.408 0.921
279 2HB ARG 38 1HB ARG 38 -0.357 2.564 0.362
280 1HG ARG 38 2HG ARG 38 -1.317 1.800 -1.543
281 2HG ARG 38 1HG ARG 38 -0.914 0.253 -0.796
282 1HD ARG 38 2HD ARG 38 -3.070 -0.254 -1.104
283 2HD ARG 38 1HD ARG 38 -3.373 0.801 0.275
284 HE ARG 38 HE ARG 38 -3.391 2.522 -1.796
285 1HH1 ARG 38 1HH1 ARG 38 -5.031 -0.509 -1.242
286 2HH1 ARG 38 2HH1 ARG 38 -6.406 -0.084 -2.205
287 1HH2 ARG 38 1HH2 ARG 38 -5.199 3.082 -3.060
288 2HH2 ARG 38 2HH2 ARG 38 -6.501 1.954 -3.237
289 H GLY 39 H GLY 39 0.814 2.956 1.934
290 1HA GLY 39 2HA GLY 39 -0.107 4.138 4.269
291 2HA GLY 39 1HA GLY 39 1.118 2.978 4.757
292 H CYS 40 H CYS 40 2.910 4.077 5.230
293 HA CYS 40 HA CYS 40 4.098 5.749 3.170
294 1HB CYS 40 2HB CYS 40 2.776 6.859 5.460
295 2HB CYS 40 1HB CYS 40 4.508 7.179 5.588
296 H GLY 41 H GLY 41 6.022 4.832 2.912
297 1HA GLY 41 2HA GLY 41 8.219 4.928 4.346
298 2HA GLY 41 1HA GLY 41 7.383 3.645 5.220
299 H CYS 42 H CYS 42 9.009 2.137 4.693
300 HA CYS 42 HA CYS 42 8.570 0.813 2.185
301 1HB CYS 42 2HB CYS 42 10.206 2.560 1.538
302 2HB CYS 42 1HB CYS 42 11.330 1.922 2.742
303 HA PRO 43 HA PRO 43 10.042 -1.806 5.772
304 1HB PRO 43 2HB PRO 43 7.747 -3.035 6.406
305 2HB PRO 43 1HB PRO 43 8.131 -1.416 7.020
306 1HG PRO 43 2HG PRO 43 6.350 -2.213 4.746
307 2HG PRO 43 1HG PRO 43 6.085 -0.984 6.002
308 1HD PRO 43 2HD PRO 43 6.969 -0.430 3.455
309 2HD PRO 43 1HD PRO 43 7.289 0.598 4.869
310 H LYS 44 H LYS 44 9.203 -4.331 6.013
311 HA LYS 44 HA LYS 44 9.120 -5.479 3.311
312 1HB LYS 44 2HB LYS 44 11.297 -5.649 5.237
313 2HB LYS 44 1HB LYS 44 10.710 -7.238 4.766
314 1HG LYS 44 2HG LYS 44 11.832 -7.111 2.866
315 2HG LYS 44 1HG LYS 44 10.955 -5.646 2.423
316 1HD LYS 44 2HD LYS 44 13.032 -4.747 2.455
317 2HD LYS 44 1HD LYS 44 12.700 -4.611 4.183
318 1HE LYS 44 2HE LYS 44 13.814 -7.191 3.315
319 2HE LYS 44 1HE LYS 44 14.892 -5.808 3.127
320 1HZ LYS 44 1HZ LYS 44 14.780 -5.344 5.415
321 2HZ LYS 44 2HZ LYS 44 15.001 -7.017 5.315
322 3HZ LYS 44 3HZ LYS 44 13.471 -6.386 5.660
323 H VAL 45 H VAL 45 9.055 -8.088 3.761
324 HA VAL 45 HA VAL 45 7.358 -8.783 5.985
325 HB VAL 45 HB VAL 45 5.548 -9.695 4.452
326 1HG1 VAL 45 1HG1 VAL 45 5.629 -7.462 5.861
327 2HG1 VAL 45 2HG1 VAL 45 4.266 -7.840 4.808
328 3HG1 VAL 45 3HG1 VAL 45 5.522 -6.730 4.261
329 1HG2 VAL 45 1HG2 VAL 45 6.564 -7.636 2.511
330 2HG2 VAL 45 2HG2 VAL 45 5.295 -8.837 2.271
331 3HG2 VAL 45 3HG2 VAL 45 6.980 -9.345 2.383
332 H LYS 46 H LYS 46 6.714 -11.115 5.883
333 HA LYS 46 HA LYS 46 8.954 -12.669 5.088
334 1HB LYS 46 2HB LYS 46 6.478 -13.155 6.667
335 2HB LYS 46 1HB LYS 46 7.333 -14.544 6.010
336 1HG LYS 46 2HG LYS 46 9.040 -12.605 7.394
337 2HG LYS 46 1HG LYS 46 7.842 -13.403 8.415
338 1HD LYS 46 2HD LYS 46 9.292 -15.174 6.567
339 2HD LYS 46 1HD LYS 46 10.283 -14.429 7.822
340 1HE LYS 46 2HE LYS 46 9.389 -16.601 8.530
341 2HE LYS 46 1HE LYS 46 8.795 -15.283 9.538
342 1HZ LYS 46 1HZ LYS 46 7.156 -17.060 8.683
343 2HZ LYS 46 2HZ LYS 46 7.210 -16.196 7.231
344 3HZ LYS 46 3HZ LYS 46 6.691 -15.433 8.649
345 HA PRO 47 HA PRO 47 7.976 -14.140 1.067
346 1HB PRO 47 2HB PRO 47 8.064 -16.868 2.198
347 2HB PRO 47 1HB PRO 47 8.985 -16.165 0.878
348 1HG PRO 47 2HG PRO 47 9.883 -16.600 3.466
349 2HG PRO 47 1HG PRO 47 10.682 -15.637 2.221
350 1HD PRO 47 2HD PRO 47 9.515 -14.721 4.636
351 2HD PRO 47 1HD PRO 47 10.192 -13.748 3.319
352 H GLY 48 H GLY 48 6.067 -14.320 0.078
353 1HA GLY 48 2HA GLY 48 4.074 -15.838 -0.148
354 2HA GLY 48 1HA GLY 48 3.836 -15.553 1.576
355 H VAL 49 H VAL 49 4.625 -12.741 1.372
356 HA VAL 49 HA VAL 49 2.183 -11.701 0.088
357 HB VAL 49 HB VAL 49 3.694 -10.449 2.385
358 1HG1 VAL 49 1HG1 VAL 49 2.510 -8.663 1.748
359 2HG1 VAL 49 2HG1 VAL 49 1.119 -9.509 2.424
360 3HG1 VAL 49 3HG1 VAL 49 1.464 -9.618 0.697
361 1HG2 VAL 49 1HG2 VAL 49 1.041 -11.825 2.632
362 2HG2 VAL 49 2HG2 VAL 49 2.180 -11.372 3.900
363 3HG2 VAL 49 3HG2 VAL 49 2.553 -12.713 2.817
364 H ASN 50 H ASN 50 2.328 -9.926 -1.244
365 HA ASN 50 HA ASN 50 5.032 -9.218 -2.100
366 1HB ASN 50 2HB ASN 50 2.612 -8.197 -3.516
367 2HB ASN 50 1HB ASN 50 4.173 -8.686 -4.172
368 1HD2 ASN 50 1HD2 ASN 50 0.982 -9.625 -3.455
369 2HD2 ASN 50 2HD2 ASN 50 1.102 -11.278 -3.974
370 H LEU 51 H LEU 51 5.735 -7.087 -2.298
371 HA LEU 51 HA LEU 51 4.116 -4.886 -1.430
372 1HB LEU 51 2HB LEU 51 4.675 -5.741 0.738
373 2HB LEU 51 1HB LEU 51 6.359 -5.930 0.291
374 HG LEU 51 HG LEU 51 6.316 -3.347 -0.014
375 1HD1 LEU 51 1HD1 LEU 51 4.147 -3.536 2.036
376 2HD1 LEU 51 2HD1 LEU 51 3.762 -3.406 0.320
377 3HD1 LEU 51 3HD1 LEU 51 4.693 -2.135 1.114
378 1HD2 LEU 51 1HD2 LEU 51 7.361 -3.207 1.990
379 2HD2 LEU 51 2HD2 LEU 51 7.260 -4.965 1.882
380 3HD2 LEU 51 3HD2 LEU 51 6.081 -4.072 2.843
381 H ASN 52 H ASN 52 5.043 -2.872 -1.969
382 HA ASN 52 HA ASN 52 7.777 -2.776 -2.903
383 1HB ASN 52 2HB ASN 52 7.430 -2.404 -5.169
384 2HB ASN 52 1HB ASN 52 6.259 -3.666 -4.809
385 1HD2 ASN 52 1HD2 ASN 52 4.116 -2.557 -3.891
386 2HD2 ASN 52 2HD2 ASN 52 3.482 -1.341 -4.943
387 H CYS 53 H CYS 53 8.659 -0.844 -2.582
388 HA CYS 53 HA CYS 53 6.984 1.340 -1.637
389 1HB CYS 53 2HB CYS 53 9.953 1.566 -1.812
390 2HB CYS 53 1HB CYS 53 8.848 2.129 -0.563
391 H CYS 54 H CYS 54 7.104 3.455 -2.488
392 HA CYS 54 HA CYS 54 8.529 3.909 -4.975
393 1HB CYS 54 2HB CYS 54 6.297 4.759 -6.004
394 2HB CYS 54 1HB CYS 54 6.664 3.034 -6.057
395 H ARG 55 H ARG 55 8.486 6.032 -5.693
396 HA ARG 55 HA ARG 55 7.968 7.934 -3.529
397 1HB ARG 55 2HB ARG 55 9.903 8.827 -5.459
398 2HB ARG 55 1HB ARG 55 10.074 8.597 -3.728
399 1HG ARG 55 2HG ARG 55 10.393 6.129 -4.268
400 2HG ARG 55 1HG ARG 55 10.627 6.659 -5.937
401 1HD ARG 55 2HD ARG 55 12.268 7.327 -3.506
402 2HD ARG 55 1HD ARG 55 12.783 6.521 -4.987
403 HE ARG 55 HE ARG 55 11.855 9.062 -5.656
404 1HH1 ARG 55 1HH1 ARG 55 14.488 7.598 -3.898
405 2HH1 ARG 55 2HH1 ARG 55 15.587 8.899 -4.212
406 1HH2 ARG 55 1HH2 ARG 55 13.300 10.777 -6.071
407 2HH2 ARG 55 2HH2 ARG 55 14.913 10.704 -5.445
408 H THR 56 H THR 56 5.944 7.329 -5.397
409 HA THR 56 HA THR 56 5.808 9.875 -6.868
410 HB THR 56 HB THR 56 4.158 7.816 -8.068
411 HG1 THR 56 1HG THR 56 5.646 6.311 -7.577
412 1HG2 THR 56 1HG2 THR 56 5.598 10.051 -8.899
413 2HG2 THR 56 2HG2 THR 56 4.623 8.967 -9.893
414 3HG2 THR 56 3HG2 THR 56 6.352 8.674 -9.701
415 H ASP 57 H ASP 57 3.789 10.893 -6.940
416 HA ASP 57 HA ASP 57 2.171 10.609 -4.677
417 1HB ASP 57 2HB ASP 57 0.621 12.154 -5.908
418 2HB ASP 57 1HB ASP 57 2.286 12.724 -5.807
419 H ARG 58 H ARG 58 0.572 9.235 -4.221
420 HA ARG 58 HA ARG 58 -1.017 7.617 -4.432
421 1HB ARG 58 2HB ARG 58 -1.387 9.013 -7.085
422 2HB ARG 58 1HB ARG 58 -2.440 7.718 -6.518
423 1HG ARG 58 2HG ARG 58 -2.918 9.115 -4.497
424 2HG ARG 58 1HG ARG 58 -2.037 10.428 -5.279
425 1HD ARG 58 2HD ARG 58 -3.607 10.148 -7.237
426 2HD ARG 58 1HD ARG 58 -4.562 9.080 -6.211
427 HE ARG 58 HE ARG 58 -4.103 11.545 -4.905
428 1HH1 ARG 58 1HH1 ARG 58 -5.980 10.124 -7.480
429 2HH1 ARG 58 2HH1 ARG 58 -7.270 11.269 -7.341
430 1HH2 ARG 58 1HH2 ARG 58 -5.798 13.053 -4.720
431 2HH2 ARG 58 2HH2 ARG 58 -7.167 12.934 -5.775
432 H CYS 59 H CYS 59 1.778 7.187 -5.392
433 HA CYS 59 HA CYS 59 1.827 5.554 -7.661
434 1HB CYS 59 2HB CYS 59 4.001 4.848 -6.891
435 2HB CYS 59 1HB CYS 59 3.816 6.572 -6.577
436 H ASN 60 H ASN 60 0.917 4.906 -4.364
437 HA ASN 60 HA ASN 60 0.855 2.021 -4.856
438 1HB ASN 60 2HB ASN 60 0.416 1.822 -2.446
439 2HB ASN 60 1HB ASN 60 1.870 2.771 -2.759
440 1HD2 ASN 60 1HD2 ASN 60 1.602 3.594 -0.620
441 2HD2 ASN 60 2HD2 ASN 60 0.480 4.885 -0.318
442 H ASN 61 H ASN 61 -1.046 4.003 -6.060
443 HA ASN 61 HA ASN 61 -3.558 3.753 -4.803
444 1HB ASN 61 2HB ASN 61 -4.460 4.674 -6.832
445 2HB ASN 61 1HB ASN 61 -2.946 5.491 -6.487
446 1HD2 ASN 61 1HD2 ASN 61 -4.492 3.061 -8.480
447 2HD2 ASN 61 2HD2 ASN 61 -3.339 3.120 -9.777
Start of MODEL 7
1 1H LEU 1 1HT LEU 1 4.720 14.901 0.618
2 2H LEU 1 2HT LEU 1 3.764 13.959 1.687
3 3H LEU 1 3HT LEU 1 3.144 15.424 1.041
4 HA LEU 1 HA LEU 1 3.209 14.501 -1.153
5 1HB LEU 1 2HB LEU 1 5.064 12.834 -0.138
6 2HB LEU 1 1HB LEU 1 3.661 11.786 -0.052
7 HG LEU 1 HG LEU 1 4.159 13.174 -2.630
8 1HD1 LEU 1 1HD1 LEU 1 5.687 10.688 -1.927
9 2HD1 LEU 1 2HD1 LEU 1 6.383 12.301 -1.762
10 3HD1 LEU 1 3HD1 LEU 1 5.860 11.724 -3.344
11 1HD2 LEU 1 1HD2 LEU 1 2.820 11.574 -3.449
12 2HD2 LEU 1 2HD2 LEU 1 2.374 11.308 -1.764
13 3HD2 LEU 1 3HD2 LEU 1 3.607 10.299 -2.519
14 H GLU 2 H GLU 2 1.426 13.203 -1.977
15 HA GLU 2 HA GLU 2 -0.621 12.714 0.087
16 1HB GLU 2 2HB GLU 2 -0.680 14.274 -2.355
17 2HB GLU 2 1HB GLU 2 -1.935 13.043 -2.364
18 1HG GLU 2 2HG GLU 2 -2.684 13.867 -0.149
19 2HG GLU 2 1HG GLU 2 -1.504 15.170 -0.282
20 H CYS 3 H CYS 3 0.293 10.529 0.209
21 HA CYS 3 HA CYS 3 0.034 8.792 -2.063
22 1HB CYS 3 2HB CYS 3 0.610 8.223 0.852
23 2HB CYS 3 1HB CYS 3 0.686 7.030 -0.442
24 H HIS 4 H HIS 4 -1.029 6.499 -1.206
25 HA HIS 4 HA HIS 4 -3.807 7.211 -0.526
26 1HB HIS 4 2HB HIS 4 -2.731 5.020 -2.310
27 2HB HIS 4 1HB HIS 4 -4.416 5.115 -1.788
28 HD1 HIS 4 1HD HIS 4 -5.473 7.668 -2.390
29 HD2 HIS 4 2HD HIS 4 -2.379 6.163 -4.721
30 HE1 HIS 4 1HE HIS 4 -5.574 8.953 -4.547
31 HE2 HIS 4 2HE HIS 4 -3.771 7.941 -5.987
32 H ASN 5 H ASN 5 -5.053 5.433 0.514
33 HA ASN 5 HA ASN 5 -3.573 3.413 1.937
34 1HB ASN 5 2HB ASN 5 -4.195 4.207 4.190
35 2HB ASN 5 1HB ASN 5 -3.124 5.344 3.365
36 1HD2 ASN 5 1HD2 ASN 5 -3.943 6.858 4.949
37 2HD2 ASN 5 2HD2 ASN 5 -5.445 7.672 4.644
38 H GLN 6 H GLN 6 -5.509 3.002 0.130
39 HA GLN 6 HA GLN 6 -7.968 2.494 1.657
40 1HB GLN 6 2HB GLN 6 -8.906 2.033 -0.691
41 2HB GLN 6 1HB GLN 6 -8.547 3.700 -0.264
42 1HG GLN 6 2HG GLN 6 -6.843 3.863 -1.744
43 2HG GLN 6 1HG GLN 6 -6.394 2.166 -1.584
44 1HE2 GLN 6 1HE2 GLN 6 -7.446 4.317 -3.722
45 2HE2 GLN 6 2HE2 GLN 6 -8.396 3.303 -4.763
46 H GLN 7 H GLN 7 -8.073 0.524 2.506
47 HA GLN 7 HA GLN 7 -6.549 -1.668 1.446
48 1HB GLN 7 2HB GLN 7 -7.760 -2.927 3.304
49 2HB GLN 7 1HB GLN 7 -6.682 -1.632 3.793
50 1HG GLN 7 2HG GLN 7 -9.481 -0.848 3.371
51 2HG GLN 7 1HG GLN 7 -9.197 -1.959 4.709
52 1HE2 GLN 7 1HE2 GLN 7 -7.017 -1.259 5.898
53 2HE2 GLN 7 2HE2 GLN 7 -7.023 0.401 6.409
54 H SER 8 H SER 8 -7.849 -3.877 1.456
55 HA SER 8 HA SER 8 -9.286 -5.228 0.334
56 1HB SER 8 2HB SER 8 -11.050 -4.397 1.699
57 2HB SER 8 1HB SER 8 -11.102 -2.863 0.821
58 HG SER 8 HG SER 8 -11.648 -5.346 -0.424
59 H SER 9 H SER 9 -10.616 -2.244 -1.028
60 HA SER 9 HA SER 9 -9.104 -2.105 -3.359
61 1HB SER 9 2HB SER 9 -10.541 -4.416 -3.460
62 2HB SER 9 1HB SER 9 -11.661 -3.298 -4.237
63 HG SER 9 HG SER 9 -9.165 -4.193 -5.074
64 H GLN 10 H GLN 10 -12.643 -2.171 -2.924
65 HA GLN 10 HA GLN 10 -13.033 0.302 -4.240
66 1HB GLN 10 2HB GLN 10 -14.718 -1.595 -2.704
67 2HB GLN 10 1HB GLN 10 -15.321 0.054 -2.867
68 1HG GLN 10 2HG GLN 10 -14.340 -1.085 -5.362
69 2HG GLN 10 1HG GLN 10 -15.687 -1.979 -4.655
70 1HE2 GLN 10 1HE2 GLN 10 -17.417 -0.374 -3.734
71 2HE2 GLN 10 2HE2 GLN 10 -17.921 0.852 -4.856
72 H ALA 11 H ALA 11 -14.617 1.905 -2.868
73 HA ALA 11 HA ALA 11 -14.643 3.637 -1.394
74 1HB ALA 11 1HB ALA 11 -13.223 2.106 0.705
75 2HB ALA 11 2HB ALA 11 -14.742 1.437 0.110
76 3HB ALA 11 3HB ALA 11 -14.704 3.060 0.800
77 HA PRO 12 HA PRO 12 -10.167 4.477 -2.673
78 1HB PRO 12 2HB PRO 12 -11.707 7.011 -3.114
79 2HB PRO 12 1HB PRO 12 -10.364 6.336 -4.050
80 1HG PRO 12 2HG PRO 12 -12.809 6.045 -4.967
81 2HG PRO 12 1HG PRO 12 -11.695 4.656 -4.981
82 1HD PRO 12 2HD PRO 12 -13.971 5.236 -3.123
83 2HD PRO 12 1HD PRO 12 -13.450 3.685 -3.822
84 H THR 13 H THR 13 -8.681 5.972 -1.704
85 HA THR 13 HA THR 13 -9.533 7.703 0.424
86 HB THR 13 HB THR 13 -7.659 5.568 1.341
87 HG1 THR 13 1HG THR 13 -10.477 5.285 1.405
88 1HG2 THR 13 1HG2 THR 13 -8.878 5.930 3.481
89 2HG2 THR 13 2HG2 THR 13 -9.759 7.239 2.692
90 3HG2 THR 13 3HG2 THR 13 -8.008 7.343 2.881
91 H THR 14 H THR 14 -7.689 8.828 1.443
92 HA THR 14 HA THR 14 -5.095 8.599 0.228
93 HB THR 14 HB THR 14 -6.333 11.282 -0.185
94 HG1 THR 14 1HG THR 14 -7.502 10.668 -1.821
95 1HG2 THR 14 1HG2 THR 14 -3.927 10.863 -0.636
96 2HG2 THR 14 2HG2 THR 14 -4.839 11.442 -2.031
97 3HG2 THR 14 3HG2 THR 14 -4.413 9.735 -1.902
98 H LYS 15 H LYS 15 -3.502 9.862 1.276
99 HA LYS 15 HA LYS 15 -4.326 11.506 3.533
100 1HB LYS 15 2HB LYS 15 -3.511 8.793 3.847
101 2HB LYS 15 1HB LYS 15 -2.242 9.817 4.501
102 1HG LYS 15 2HG LYS 15 -4.897 10.672 5.315
103 2HG LYS 15 1HG LYS 15 -4.530 9.017 5.803
104 1HD LYS 15 2HD LYS 15 -3.272 9.782 7.469
105 2HD LYS 15 1HD LYS 15 -2.232 10.611 6.310
106 1HE LYS 15 2HE LYS 15 -3.295 12.621 6.587
107 2HE LYS 15 1HE LYS 15 -4.827 11.872 7.033
108 1HZ LYS 15 1HZ LYS 15 -2.563 12.599 8.699
109 2HZ LYS 15 2HZ LYS 15 -3.300 11.123 9.075
110 3HZ LYS 15 3HZ LYS 15 -4.213 12.548 9.074
111 H THR 16 H THR 16 -1.921 11.847 4.779
112 HA THR 16 HA THR 16 0.093 12.460 2.778
113 HB THR 16 HB THR 16 -0.944 14.676 4.543
114 HG1 THR 16 1HG THR 16 -2.143 15.382 2.846
115 1HG2 THR 16 1HG2 THR 16 0.287 15.388 2.020
116 2HG2 THR 16 2HG2 THR 16 1.381 14.512 3.090
117 3HG2 THR 16 3HG2 THR 16 0.599 15.991 3.648
118 H CYS 17 H CYS 17 2.134 12.453 3.591
119 HA CYS 17 HA CYS 17 2.391 12.088 6.503
120 1HB CYS 17 2HB CYS 17 4.080 10.934 4.273
121 2HB CYS 17 1HB CYS 17 4.424 10.751 5.995
122 H SER 18 H SER 18 3.368 13.703 7.512
123 HA SER 18 HA SER 18 5.097 15.504 5.980
124 1HB SER 18 2HB SER 18 4.862 16.744 8.360
125 2HB SER 18 1HB SER 18 3.681 16.929 7.064
126 HG SER 18 HG SER 18 3.523 15.066 9.203
127 H GLY 19 H GLY 19 5.994 12.870 6.858
128 1HA GLY 19 2HA GLY 19 8.359 13.766 8.341
129 2HA GLY 19 1HA GLY 19 7.438 12.414 8.995
130 H GLU 20 H GLU 20 6.822 10.917 6.849
131 HA GLU 20 HA GLU 20 9.265 9.607 6.278
132 1HB GLU 20 2HB GLU 20 6.413 9.220 5.633
133 2HB GLU 20 1HB GLU 20 7.539 8.557 4.448
134 1HG GLU 20 2HG GLU 20 7.488 6.755 5.769
135 2HG GLU 20 1HG GLU 20 8.647 7.661 6.741
136 H THR 21 H THR 21 9.371 8.872 3.724
137 HA THR 21 HA THR 21 9.503 11.361 2.166
138 HB THR 21 HB THR 21 11.600 9.187 2.223
139 HG1 THR 21 1HG THR 21 11.770 10.464 4.043
140 1HG2 THR 21 1HG2 THR 21 12.000 9.969 0.152
141 2HG2 THR 21 2HG2 THR 21 12.829 11.242 1.049
142 3HG2 THR 21 3HG2 THR 21 11.190 11.506 0.453
143 H ASN 22 H ASN 22 9.812 7.837 1.865
144 HA ASN 22 HA ASN 22 8.404 8.005 -0.707
145 1HB ASN 22 2HB ASN 22 9.336 5.516 -0.781
146 2HB ASN 22 1HB ASN 22 10.323 6.890 -1.271
147 1HD2 ASN 22 1HD2 ASN 22 9.478 5.012 1.600
148 2HD2 ASN 22 2HD2 ASN 22 11.071 5.017 2.291
149 H CYS 23 H CYS 23 6.869 6.316 -1.220
150 HA CYS 23 HA CYS 23 5.490 5.286 1.167
151 1HB CYS 23 2HB CYS 23 4.512 6.537 -1.362
152 2HB CYS 23 1HB CYS 23 3.520 5.284 -0.618
153 H TYR 24 H TYR 24 3.765 3.497 0.026
154 HA TYR 24 HA TYR 24 5.133 1.822 -1.861
155 1HB TYR 24 2HB TYR 24 5.442 -0.112 -0.422
156 2HB TYR 24 1HB TYR 24 6.350 1.264 0.205
157 HD1 TYR 24 1HD TYR 24 6.129 1.845 2.446
158 HD2 TYR 24 2HD TYR 24 3.090 -0.505 0.620
159 HE1 TYR 24 1HE TYR 24 5.045 1.558 4.634
160 HE2 TYR 24 2HE TYR 24 1.995 -0.795 2.800
161 HH TYR 24 HH TYR 24 1.893 0.276 4.968
162 H LYS 25 H LYS 25 4.009 -0.447 -1.819
163 HA LYS 25 HA LYS 25 1.188 -0.358 -1.195
164 1HB LYS 25 2HB LYS 25 1.763 0.695 -3.582
165 2HB LYS 25 1HB LYS 25 1.780 -1.002 -4.046
166 1HG LYS 25 2HG LYS 25 -0.531 -0.009 -2.474
167 2HG LYS 25 1HG LYS 25 -0.409 0.459 -4.171
168 1HD LYS 25 2HD LYS 25 0.129 -2.199 -4.315
169 2HD LYS 25 1HD LYS 25 -1.005 -2.155 -2.964
170 1HE LYS 25 2HE LYS 25 -2.737 -1.730 -4.308
171 2HE LYS 25 1HE LYS 25 -1.853 -0.482 -5.185
172 1HZ LYS 25 1HZ LYS 25 -1.247 -1.916 -6.790
173 2HZ LYS 25 2HZ LYS 25 -2.601 -2.786 -6.271
174 3HZ LYS 25 3HZ LYS 25 -1.060 -3.222 -5.731
175 H LYS 26 H LYS 26 0.744 -2.305 -0.394
176 HA LYS 26 HA LYS 26 2.291 -4.600 -1.405
177 1HB LYS 26 2HB LYS 26 1.446 -5.446 1.034
178 2HB LYS 26 1HB LYS 26 3.004 -4.708 0.724
179 1HG LYS 26 2HG LYS 26 2.303 -2.618 1.546
180 2HG LYS 26 1HG LYS 26 0.605 -3.095 1.518
181 1HD LYS 26 2HD LYS 26 1.039 -4.739 3.279
182 2HD LYS 26 1HD LYS 26 2.738 -4.266 3.304
183 1HE LYS 26 2HE LYS 26 2.261 -2.165 4.207
184 2HE LYS 26 1HE LYS 26 0.559 -2.257 3.757
185 1HZ LYS 26 1HZ LYS 26 0.167 -2.981 5.800
186 2HZ LYS 26 2HZ LYS 26 1.817 -3.087 6.155
187 3HZ LYS 26 3HZ LYS 26 1.021 -4.397 5.440
188 H TRP 27 H TRP 27 1.269 -6.633 -1.491
189 HA TRP 27 HA TRP 27 -1.534 -6.900 -0.987
190 1HB TRP 27 2HB TRP 27 -2.131 -7.522 -3.323
191 2HB TRP 27 1HB TRP 27 -1.773 -5.832 -3.116
192 HD1 TRP 27 HD TRP 27 -0.748 -8.835 -4.959
193 HE1 TRP 27 1HE TRP 27 1.113 -8.267 -6.623
194 HE3 TRP 27 3HE TRP 27 0.350 -4.120 -3.359
195 HZ2 TRP 27 2HZ TRP 27 2.837 -6.107 -7.198
196 HZ3 TRP 27 3HZ TRP 27 2.117 -2.866 -4.525
197 HH2 TRP 27 HH TRP 27 3.334 -3.839 -6.401
198 H TRP 28 H TRP 28 -2.315 -9.040 -1.406
199 HA TRP 28 HA TRP 28 -0.373 -11.086 -2.084
200 1HB TRP 28 2HB TRP 28 -0.695 -12.297 0.080
201 2HB TRP 28 1HB TRP 28 0.155 -10.766 0.256
202 HD1 TRP 28 HD TRP 28 -3.018 -12.518 1.232
203 HE1 TRP 28 1HE TRP 28 -4.290 -11.041 2.876
204 HE3 TRP 28 3HE TRP 28 -0.238 -8.252 0.869
205 HZ2 TRP 28 2HZ TRP 28 -4.164 -8.430 3.929
206 HZ3 TRP 28 3HZ TRP 28 -0.875 -6.309 2.233
207 HH2 TRP 28 HH TRP 28 -2.804 -6.397 3.732
208 H SER 29 H SER 29 -1.501 -13.338 -1.488
209 HA SER 29 HA SER 29 -4.331 -13.154 -2.275
210 1HB SER 29 2HB SER 29 -2.151 -14.301 -3.767
211 2HB SER 29 1HB SER 29 -3.310 -15.565 -3.338
212 HG SER 29 HG SER 29 -4.890 -14.490 -4.412
213 H ASP 30 H ASP 30 -5.285 -13.702 -0.392
214 HA ASP 30 HA ASP 30 -4.306 -16.048 1.064
215 1HB ASP 30 2HB ASP 30 -5.982 -15.267 2.811
216 2HB ASP 30 1HB ASP 30 -4.616 -14.188 2.511
217 H HIS 31 H HIS 31 -6.376 -17.132 2.250
218 HA HIS 31 HA HIS 31 -7.627 -18.681 0.291
219 1HB HIS 31 2HB HIS 31 -8.968 -19.605 2.088
220 2HB HIS 31 1HB HIS 31 -7.317 -19.374 2.652
221 HD1 HIS 31 1HD HIS 31 -6.954 -17.146 4.159
222 HD2 HIS 31 2HD HIS 31 -10.870 -18.435 3.644
223 HE1 HIS 31 1HE HIS 31 -8.279 -16.010 5.969
224 HE2 HIS 31 2HE HIS 31 -10.629 -16.874 5.691
225 H ARG 32 H ARG 32 -8.759 -15.830 2.039
226 HA ARG 32 HA ARG 32 -11.414 -15.891 1.055
227 1HB ARG 32 2HB ARG 32 -9.693 -13.910 2.457
228 2HB ARG 32 1HB ARG 32 -11.111 -13.290 1.612
229 1HG ARG 32 2HG ARG 32 -11.799 -15.604 3.179
230 2HG ARG 32 1HG ARG 32 -11.001 -14.387 4.176
231 1HD ARG 32 2HD ARG 32 -13.364 -13.887 2.367
232 2HD ARG 32 1HD ARG 32 -13.449 -14.107 4.115
233 HE ARG 32 HE ARG 32 -11.680 -11.994 3.299
234 1HH1 ARG 32 1HH1 ARG 32 -14.979 -12.824 4.073
235 2HH1 ARG 32 2HH1 ARG 32 -15.420 -11.204 4.493
236 1HH2 ARG 32 1HH2 ARG 32 -12.258 -9.862 3.852
237 2HH2 ARG 32 2HH2 ARG 32 -13.876 -9.521 4.367
238 H GLY 33 H GLY 33 -8.412 -14.583 -0.181
239 1HA GLY 33 2HA GLY 33 -8.889 -14.586 -2.811
240 2HA GLY 33 1HA GLY 33 -9.757 -13.135 -2.315
241 H THR 34 H THR 34 -8.622 -11.375 -2.752
242 HA THR 34 HA THR 34 -5.736 -11.391 -2.169
243 HB THR 34 HB THR 34 -6.972 -9.869 -4.461
244 HG1 THR 34 1HG THR 34 -5.724 -12.413 -4.499
245 1HG2 THR 34 1HG2 THR 34 -4.166 -10.766 -4.499
246 2HG2 THR 34 2HG2 THR 34 -4.567 -9.462 -3.382
247 3HG2 THR 34 3HG2 THR 34 -4.897 -9.280 -5.105
248 H ILE 35 H ILE 35 -4.868 -9.494 -1.334
249 HA ILE 35 HA ILE 35 -6.771 -7.330 -0.738
250 HB ILE 35 HB ILE 35 -4.765 -8.369 1.258
251 1HG1 ILE 35 2HG1 ILE 35 -7.752 -8.835 1.122
252 2HG1 ILE 35 1HG1 ILE 35 -6.504 -10.053 0.878
253 1HG2 ILE 35 1HG2 ILE 35 -6.943 -6.301 1.380
254 2HG2 ILE 35 2HG2 ILE 35 -5.216 -6.086 1.667
255 3HG2 ILE 35 3HG2 ILE 35 -6.195 -6.993 2.820
256 1HD1 ILE 35 1HD1 ILE 35 -6.061 -8.804 3.390
257 2HD1 ILE 35 2HD1 ILE 35 -6.490 -10.478 3.043
258 3HD1 ILE 35 3HD1 ILE 35 -7.756 -9.275 3.281
259 H ILE 36 H ILE 36 -5.781 -5.267 -0.273
260 HA ILE 36 HA ILE 36 -2.969 -4.990 -1.046
261 HB ILE 36 HB ILE 36 -3.577 -3.041 -2.510
262 1HG1 ILE 36 2HG1 ILE 36 -6.250 -4.031 -3.103
263 2HG1 ILE 36 1HG1 ILE 36 -6.121 -3.449 -1.447
264 1HG2 ILE 36 1HG2 ILE 36 -3.853 -5.868 -3.084
265 2HG2 ILE 36 2HG2 ILE 36 -3.056 -4.598 -4.011
266 3HG2 ILE 36 3HG2 ILE 36 -4.788 -4.870 -4.196
267 1HD1 ILE 36 1HD1 ILE 36 -6.837 -1.805 -3.270
268 2HD1 ILE 36 2HD1 ILE 36 -5.138 -1.804 -3.743
269 3HD1 ILE 36 3HD1 ILE 36 -5.602 -1.289 -2.121
270 H GLU 37 H GLU 37 -1.966 -3.728 0.437
271 HA GLU 37 HA GLU 37 -3.566 -1.625 1.744
272 1HB GLU 37 2HB GLU 37 -1.556 -2.088 3.533
273 2HB GLU 37 1HB GLU 37 -3.177 -2.766 3.644
274 1HG GLU 37 2HG GLU 37 -2.446 -4.812 2.629
275 2HG GLU 37 1HG GLU 37 -0.851 -4.134 2.312
276 H ARG 38 H ARG 38 -2.210 0.175 2.635
277 HA ARG 38 HA ARG 38 0.172 0.659 0.975
278 1HB ARG 38 2HB ARG 38 -1.682 2.909 1.669
279 2HB ARG 38 1HB ARG 38 -0.518 2.795 0.358
280 1HG ARG 38 2HG ARG 38 -2.353 0.760 -0.139
281 2HG ARG 38 1HG ARG 38 -3.322 2.136 0.391
282 1HD ARG 38 2HD ARG 38 -1.929 3.508 -1.266
283 2HD ARG 38 1HD ARG 38 -1.430 1.954 -1.932
284 HE ARG 38 HE ARG 38 -3.927 3.254 -2.325
285 1HH1 ARG 38 1HH1 ARG 38 -2.461 0.104 -1.999
286 2HH1 ARG 38 2HH1 ARG 38 -3.690 -0.699 -2.916
287 1HH2 ARG 38 1HH2 ARG 38 -5.542 2.200 -3.532
288 2HH2 ARG 38 2HH2 ARG 38 -5.439 0.489 -3.788
289 H GLY 39 H GLY 39 1.115 2.952 1.867
290 1HA GLY 39 2HA GLY 39 0.964 3.676 4.513
291 2HA GLY 39 1HA GLY 39 2.068 2.310 4.488
292 H CYS 40 H CYS 40 3.163 4.499 5.413
293 HA CYS 40 HA CYS 40 4.585 5.754 3.165
294 1HB CYS 40 2HB CYS 40 3.707 6.724 5.831
295 2HB CYS 40 1HB CYS 40 5.262 7.318 5.244
296 H GLY 41 H GLY 41 6.356 4.542 2.782
297 1HA GLY 41 2HA GLY 41 8.687 4.671 4.058
298 2HA GLY 41 1HA GLY 41 7.875 3.426 5.006
299 H CYS 42 H CYS 42 9.431 1.885 4.404
300 HA CYS 42 HA CYS 42 8.810 0.507 1.962
301 1HB CYS 42 2HB CYS 42 10.496 2.283 1.293
302 2HB CYS 42 1HB CYS 42 11.663 1.438 2.313
303 HA PRO 43 HA PRO 43 10.359 -2.065 5.529
304 1HB PRO 43 2HB PRO 43 8.093 -3.367 6.119
305 2HB PRO 43 1HB PRO 43 8.407 -1.732 6.728
306 1HG PRO 43 2HG PRO 43 6.713 -2.605 4.416
307 2HG PRO 43 1HG PRO 43 6.371 -1.382 5.658
308 1HD PRO 43 2HD PRO 43 7.294 -0.800 3.136
309 2HD PRO 43 1HD PRO 43 7.556 0.238 4.556
310 H LYS 44 H LYS 44 9.650 -4.600 5.794
311 HA LYS 44 HA LYS 44 10.251 -5.765 3.177
312 1HB LYS 44 2HB LYS 44 10.963 -7.750 4.451
313 2HB LYS 44 1HB LYS 44 11.822 -6.300 4.950
314 1HG LYS 44 2HG LYS 44 11.269 -6.792 7.035
315 2HG LYS 44 1HG LYS 44 9.602 -6.402 6.605
316 1HD LYS 44 2HD LYS 44 9.687 -8.906 5.688
317 2HD LYS 44 1HD LYS 44 10.912 -9.038 6.952
318 1HE LYS 44 2HE LYS 44 9.316 -8.193 8.595
319 2HE LYS 44 1HE LYS 44 8.095 -8.027 7.334
320 1HZ LYS 44 1HZ LYS 44 9.035 -10.409 8.702
321 2HZ LYS 44 2HZ LYS 44 8.754 -10.584 7.044
322 3HZ LYS 44 3HZ LYS 44 7.509 -10.058 8.061
323 H VAL 45 H VAL 45 9.429 -8.305 3.367
324 HA VAL 45 HA VAL 45 6.650 -8.381 4.214
325 HB VAL 45 HB VAL 45 5.933 -9.237 1.948
326 1HG1 VAL 45 1HG1 VAL 45 5.134 -7.191 1.437
327 2HG1 VAL 45 2HG1 VAL 45 6.726 -6.435 1.496
328 3HG1 VAL 45 3HG1 VAL 45 5.849 -6.758 2.990
329 1HG2 VAL 45 1HG2 VAL 45 7.677 -9.683 0.590
330 2HG2 VAL 45 2HG2 VAL 45 8.722 -8.491 1.362
331 3HG2 VAL 45 3HG2 VAL 45 7.528 -7.977 0.171
332 H LYS 46 H LYS 46 5.709 -10.532 4.032
333 HA LYS 46 HA LYS 46 7.605 -12.546 4.708
334 1HB LYS 46 2HB LYS 46 4.644 -12.282 4.745
335 2HB LYS 46 1HB LYS 46 5.315 -13.906 4.732
336 1HG LYS 46 2HG LYS 46 6.592 -12.158 6.681
337 2HG LYS 46 1HG LYS 46 4.861 -12.364 6.953
338 1HD LYS 46 2HD LYS 46 5.053 -14.631 7.323
339 2HD LYS 46 1HD LYS 46 6.541 -14.764 6.385
340 1HE LYS 46 2HE LYS 46 6.791 -13.037 8.725
341 2HE LYS 46 1HE LYS 46 6.371 -14.702 9.124
342 1HZ LYS 46 1HZ LYS 46 8.775 -13.674 7.767
343 2HZ LYS 46 2HZ LYS 46 8.279 -15.270 7.509
344 3HZ LYS 46 3HZ LYS 46 8.661 -14.746 9.071
345 HA PRO 47 HA PRO 47 7.718 -14.736 0.888
346 1HB PRO 47 2HB PRO 47 7.290 -17.371 1.723
347 2HB PRO 47 1HB PRO 47 8.826 -16.529 1.672
348 1HG PRO 47 2HG PRO 47 7.347 -17.355 3.936
349 2HG PRO 47 1HG PRO 47 8.927 -16.578 3.882
350 1HD PRO 47 2HD PRO 47 6.359 -15.447 4.569
351 2HD PRO 47 1HD PRO 47 7.977 -14.737 4.715
352 H GLY 48 H GLY 48 5.881 -13.965 -0.145
353 1HA GLY 48 2HA GLY 48 4.140 -15.471 -1.403
354 2HA GLY 48 1HA GLY 48 3.374 -15.445 0.184
355 H VAL 49 H VAL 49 3.769 -12.902 0.998
356 HA VAL 49 HA VAL 49 1.872 -11.458 -0.607
357 HB VAL 49 HB VAL 49 1.639 -11.317 1.766
358 1HG1 VAL 49 1HG1 VAL 49 3.633 -9.922 2.901
359 2HG1 VAL 49 2HG1 VAL 49 4.536 -10.834 1.691
360 3HG1 VAL 49 3HG1 VAL 49 3.550 -11.683 2.880
361 1HG2 VAL 49 1HG2 VAL 49 2.792 -8.632 1.142
362 2HG2 VAL 49 2HG2 VAL 49 1.316 -9.042 2.016
363 3HG2 VAL 49 3HG2 VAL 49 1.379 -9.209 0.263
364 H ASN 50 H ASN 50 2.239 -9.734 -1.907
365 HA ASN 50 HA ASN 50 5.021 -9.137 -2.555
366 1HB ASN 50 2HB ASN 50 2.572 -8.136 -4.004
367 2HB ASN 50 1HB ASN 50 4.223 -8.249 -4.614
368 1HD2 ASN 50 1HD2 ASN 50 1.379 -10.066 -3.690
369 2HD2 ASN 50 2HD2 ASN 50 1.771 -11.501 -4.585
370 H LEU 51 H LEU 51 5.702 -6.936 -2.938
371 HA LEU 51 HA LEU 51 4.196 -4.748 -1.857
372 1HB LEU 51 2HB LEU 51 4.978 -5.624 0.225
373 2HB LEU 51 1HB LEU 51 6.599 -5.839 -0.406
374 HG LEU 51 HG LEU 51 6.572 -3.252 -0.681
375 1HD1 LEU 51 1HD1 LEU 51 4.615 -3.447 1.577
376 2HD1 LEU 51 2HD1 LEU 51 4.079 -3.245 -0.091
377 3HD1 LEU 51 3HD1 LEU 51 5.113 -2.027 0.656
378 1HD2 LEU 51 1HD2 LEU 51 6.632 -4.155 2.161
379 2HD2 LEU 51 2HD2 LEU 51 7.733 -3.081 1.297
380 3HD2 LEU 51 3HD2 LEU 51 7.788 -4.821 1.005
381 H ASN 52 H ASN 52 5.066 -2.732 -2.456
382 HA ASN 52 HA ASN 52 7.665 -2.646 -3.727
383 1HB ASN 52 2HB ASN 52 7.037 -2.285 -5.906
384 2HB ASN 52 1HB ASN 52 5.768 -3.395 -5.407
385 1HD2 ASN 52 1HD2 ASN 52 3.912 -2.029 -4.223
386 2HD2 ASN 52 2HD2 ASN 52 3.319 -0.725 -5.186
387 H CYS 53 H CYS 53 8.620 -0.825 -3.149
388 HA CYS 53 HA CYS 53 7.056 1.366 -2.077
389 1HB CYS 53 2HB CYS 53 10.052 1.321 -2.320
390 2HB CYS 53 1HB CYS 53 9.049 2.132 -1.125
391 H CYS 54 H CYS 54 7.379 3.557 -2.763
392 HA CYS 54 HA CYS 54 8.723 4.143 -5.231
393 1HB CYS 54 2HB CYS 54 6.458 5.023 -6.214
394 2HB CYS 54 1HB CYS 54 6.908 3.329 -6.418
395 H ARG 55 H ARG 55 8.671 6.309 -5.813
396 HA ARG 55 HA ARG 55 8.018 8.079 -3.574
397 1HB ARG 55 2HB ARG 55 10.072 9.097 -5.300
398 2HB ARG 55 1HB ARG 55 10.132 8.743 -3.582
399 1HG ARG 55 2HG ARG 55 10.512 6.325 -4.268
400 2HG ARG 55 1HG ARG 55 10.835 6.964 -5.883
401 1HD ARG 55 2HD ARG 55 12.323 7.505 -3.324
402 2HD ARG 55 1HD ARG 55 12.932 6.761 -4.803
403 HE ARG 55 HE ARG 55 12.023 9.349 -5.380
404 1HH1 ARG 55 1HH1 ARG 55 14.607 7.735 -3.679
405 2HH1 ARG 55 2HH1 ARG 55 15.735 9.029 -3.907
406 1HH2 ARG 55 1HH2 ARG 55 13.507 11.054 -5.681
407 2HH2 ARG 55 2HH2 ARG 55 15.111 10.914 -5.042
408 H THR 56 H THR 56 6.161 7.541 -5.662
409 HA THR 56 HA THR 56 6.120 10.163 -7.010
410 HB THR 56 HB THR 56 4.763 7.768 -8.195
411 HG1 THR 56 1HG THR 56 7.455 8.483 -8.700
412 1HG2 THR 56 1HG2 THR 56 5.769 9.124 -10.262
413 2HG2 THR 56 2HG2 THR 56 5.576 10.446 -9.110
414 3HG2 THR 56 3HG2 THR 56 4.186 9.457 -9.561
415 H ASP 57 H ASP 57 4.014 11.064 -7.404
416 HA ASP 57 HA ASP 57 2.267 10.800 -5.194
417 1HB ASP 57 2HB ASP 57 2.692 12.740 -7.041
418 2HB ASP 57 1HB ASP 57 1.188 12.045 -7.652
419 H ARG 58 H ARG 58 0.605 9.470 -4.860
420 HA ARG 58 HA ARG 58 -0.962 7.850 -5.182
421 1HB ARG 58 2HB ARG 58 -1.077 9.022 -7.970
422 2HB ARG 58 1HB ARG 58 -2.273 7.933 -7.267
423 1HG ARG 58 2HG ARG 58 -2.664 9.655 -5.492
424 2HG ARG 58 1HG ARG 58 -1.633 10.746 -6.418
425 1HD ARG 58 2HD ARG 58 -3.420 9.758 -8.291
426 2HD ARG 58 1HD ARG 58 -4.403 9.992 -6.845
427 HE ARG 58 HE ARG 58 -2.950 12.299 -7.089
428 1HH1 ARG 58 1HH1 ARG 58 -5.171 10.541 -9.129
429 2HH1 ARG 58 2HH1 ARG 58 -5.745 11.959 -9.939
430 1HH2 ARG 58 1HH2 ARG 58 -3.704 14.165 -8.154
431 2HH2 ARG 58 2HH2 ARG 58 -4.912 14.017 -9.386
432 H CYS 59 H CYS 59 1.880 7.328 -5.760
433 HA CYS 59 HA CYS 59 2.137 5.639 -8.000
434 1HB CYS 59 2HB CYS 59 4.269 5.088 -7.139
435 2HB CYS 59 1HB CYS 59 3.986 6.764 -6.677
436 H ASN 60 H ASN 60 0.977 5.113 -4.757
437 HA ASN 60 HA ASN 60 0.905 2.210 -5.186
438 1HB ASN 60 2HB ASN 60 0.367 2.073 -2.780
439 2HB ASN 60 1HB ASN 60 1.874 2.945 -3.070
440 1HD2 ASN 60 1HD2 ASN 60 1.382 3.659 -0.841
441 2HD2 ASN 60 2HD2 ASN 60 0.394 5.074 -0.647
442 H ASN 61 H ASN 61 -0.926 4.284 -6.422
443 HA ASN 61 HA ASN 61 -3.476 4.067 -5.243
444 1HB ASN 61 2HB ASN 61 -4.299 4.931 -7.380
445 2HB ASN 61 1HB ASN 61 -2.890 5.833 -6.842
446 1HD2 ASN 61 1HD2 ASN 61 -3.527 6.094 -9.390
447 2HD2 ASN 61 2HD2 ASN 61 -2.439 5.210 -10.415
Start of MODEL 8
1 1H LEU 1 1HT LEU 1 4.409 15.503 -1.740
2 2H LEU 1 2HT LEU 1 5.363 15.342 -3.157
3 3H LEU 1 3HT LEU 1 5.382 14.109 -1.963
4 HA LEU 1 HA LEU 1 3.242 14.846 -3.819
5 1HB LEU 1 2HB LEU 1 3.427 12.539 -4.476
6 2HB LEU 1 1HB LEU 1 5.013 13.286 -4.531
7 HG LEU 1 HG LEU 1 4.437 12.022 -1.972
8 1HD1 LEU 1 1HD1 LEU 1 3.459 10.178 -2.783
9 2HD1 LEU 1 2HD1 LEU 1 5.073 9.763 -3.362
10 3HD1 LEU 1 3HD1 LEU 1 3.921 10.546 -4.445
11 1HD2 LEU 1 1HD2 LEU 1 6.662 11.623 -1.991
12 2HD2 LEU 1 2HD2 LEU 1 6.638 12.877 -3.231
13 3HD2 LEU 1 3HD2 LEU 1 6.679 11.176 -3.697
14 H GLU 2 H GLU 2 1.527 12.918 -3.596
15 HA GLU 2 HA GLU 2 0.836 12.563 -0.769
16 1HB GLU 2 2HB GLU 2 -1.071 13.585 -2.882
17 2HB GLU 2 1HB GLU 2 -1.502 13.183 -1.225
18 1HG GLU 2 2HG GLU 2 -0.874 15.176 -0.491
19 2HG GLU 2 1HG GLU 2 0.685 15.062 -1.306
20 H CYS 3 H CYS 3 0.613 10.450 -0.438
21 HA CYS 3 HA CYS 3 0.105 8.639 -2.607
22 1HB CYS 3 2HB CYS 3 0.176 7.940 0.325
23 2HB CYS 3 1HB CYS 3 0.556 6.914 -1.054
24 H HIS 4 H HIS 4 -1.420 6.671 -1.319
25 HA HIS 4 HA HIS 4 -4.046 7.997 -1.170
26 1HB HIS 4 2HB HIS 4 -3.214 5.364 -2.366
27 2HB HIS 4 1HB HIS 4 -4.896 5.695 -1.945
28 HD1 HIS 4 1HD HIS 4 -5.736 8.130 -3.079
29 HD2 HIS 4 2HD HIS 4 -2.666 6.019 -4.923
30 HE1 HIS 4 1HE HIS 4 -5.651 8.995 -5.436
31 HE2 HIS 4 2HE HIS 4 -3.872 7.613 -6.567
32 H ASN 5 H ASN 5 -2.023 5.432 0.125
33 HA ASN 5 HA ASN 5 -2.226 4.074 1.954
34 1HB ASN 5 2HB ASN 5 -2.594 5.328 4.053
35 2HB ASN 5 1HB ASN 5 -1.469 6.148 2.965
36 1HD2 ASN 5 1HD2 ASN 5 -1.826 8.203 2.533
37 2HD2 ASN 5 2HD2 ASN 5 -3.304 9.062 2.841
38 H GLN 6 H GLN 6 -4.408 3.621 0.376
39 HA GLN 6 HA GLN 6 -6.575 3.310 2.351
40 1HB GLN 6 2HB GLN 6 -8.165 3.347 0.435
41 2HB GLN 6 1HB GLN 6 -7.319 4.869 0.670
42 1HG GLN 6 2HG GLN 6 -6.561 4.819 -1.403
43 2HG GLN 6 1HG GLN 6 -5.826 3.242 -1.129
44 1HE2 GLN 6 1HE2 GLN 6 -6.646 3.681 -3.582
45 2HE2 GLN 6 2HE2 GLN 6 -8.114 2.827 -3.937
46 H GLN 7 H GLN 7 -5.886 1.271 2.999
47 HA GLN 7 HA GLN 7 -5.402 -0.818 1.088
48 1HB GLN 7 2HB GLN 7 -5.367 -2.238 3.208
49 2HB GLN 7 1HB GLN 7 -4.135 -0.997 3.060
50 1HG GLN 7 2HG GLN 7 -5.167 0.374 4.644
51 2HG GLN 7 1HG GLN 7 -6.695 -0.500 4.534
52 1HE2 GLN 7 1HE2 GLN 7 -7.040 -1.357 6.460
53 2HE2 GLN 7 2HE2 GLN 7 -5.898 -2.299 7.368
54 H SER 8 H SER 8 -6.614 -2.822 1.016
55 HA SER 8 HA SER 8 -8.526 -4.014 0.710
56 1HB SER 8 2HB SER 8 -8.780 -2.772 3.324
57 2HB SER 8 1HB SER 8 -10.360 -3.018 2.573
58 HG SER 8 HG SER 8 -9.520 -5.232 2.143
59 H SER 9 H SER 9 -11.194 -3.429 0.864
60 HA SER 9 HA SER 9 -11.450 -1.423 -1.245
61 1HB SER 9 2HB SER 9 -12.400 -3.803 -1.419
62 2HB SER 9 1HB SER 9 -13.637 -3.262 -0.285
63 HG SER 9 HG SER 9 -13.244 -2.592 -2.949
64 H GLN 10 H GLN 10 -11.160 -0.815 1.693
65 HA GLN 10 HA GLN 10 -13.680 0.172 2.591
66 1HB GLN 10 2HB GLN 10 -10.862 0.322 3.518
67 2HB GLN 10 1HB GLN 10 -11.981 1.541 4.125
68 1HG GLN 10 2HG GLN 10 -13.049 -1.157 4.248
69 2HG GLN 10 1HG GLN 10 -11.563 -0.957 5.177
70 1HE2 GLN 10 1HE2 GLN 10 -13.264 -1.489 6.866
71 2HE2 GLN 10 2HE2 GLN 10 -14.047 -0.135 7.618
72 H ALA 11 H ALA 11 -13.475 2.660 3.421
73 HA ALA 11 HA ALA 11 -13.960 4.245 1.194
74 1HB ALA 11 1HB ALA 11 -14.522 4.606 3.707
75 2HB ALA 11 2HB ALA 11 -14.282 6.001 2.656
76 3HB ALA 11 3HB ALA 11 -12.990 5.477 3.736
77 HA PRO 12 HA PRO 12 -9.718 4.562 -0.387
78 1HB PRO 12 2HB PRO 12 -11.227 6.683 -1.877
79 2HB PRO 12 1HB PRO 12 -10.019 5.535 -2.475
80 1HG PRO 12 2HG PRO 12 -12.557 5.032 -2.919
81 2HG PRO 12 1HG PRO 12 -11.493 3.726 -2.346
82 1HD PRO 12 2HD PRO 12 -13.525 5.317 -0.824
83 2HD PRO 12 1HD PRO 12 -13.133 3.585 -0.717
84 H THR 13 H THR 13 -8.238 6.479 -0.773
85 HA THR 13 HA THR 13 -8.825 8.909 0.660
86 HB THR 13 HB THR 13 -6.358 7.939 1.786
87 HG1 THR 13 1HG THR 13 -8.619 6.365 2.435
88 1HG2 THR 13 1HG2 THR 13 -8.858 9.144 2.709
89 2HG2 THR 13 2HG2 THR 13 -7.191 9.453 3.196
90 3HG2 THR 13 3HG2 THR 13 -8.068 8.081 3.874
91 H THR 14 H THR 14 -7.542 10.588 0.015
92 HA THR 14 HA THR 14 -5.364 9.938 -1.861
93 HB THR 14 HB THR 14 -7.168 12.345 -2.037
94 HG1 THR 14 1HG THR 14 -8.525 11.191 -3.134
95 1HG2 THR 14 1HG2 THR 14 -4.759 11.815 -3.303
96 2HG2 THR 14 2HG2 THR 14 -5.958 13.025 -3.757
97 3HG2 THR 14 3HG2 THR 14 -5.996 11.424 -4.497
98 H LYS 15 H LYS 15 -6.000 11.225 1.095
99 HA LYS 15 HA LYS 15 -4.282 13.529 0.990
100 1HB LYS 15 2HB LYS 15 -6.279 13.070 2.585
101 2HB LYS 15 1HB LYS 15 -5.113 12.147 3.521
102 1HG LYS 15 2HG LYS 15 -3.837 14.036 4.021
103 2HG LYS 15 1HG LYS 15 -4.576 14.985 2.729
104 1HD LYS 15 2HD LYS 15 -6.650 14.124 4.464
105 2HD LYS 15 1HD LYS 15 -5.352 14.784 5.463
106 1HE LYS 15 2HE LYS 15 -6.318 16.761 5.019
107 2HE LYS 15 1HE LYS 15 -5.478 16.628 3.474
108 1HZ LYS 15 1HZ LYS 15 -7.501 15.550 2.582
109 2HZ LYS 15 2HZ LYS 15 -7.756 17.150 3.068
110 3HZ LYS 15 3HZ LYS 15 -8.293 15.877 4.042
111 H THR 16 H THR 16 -2.317 13.757 2.225
112 HA THR 16 HA THR 16 -0.588 11.477 1.903
113 HB THR 16 HB THR 16 0.459 13.834 3.333
114 HG1 THR 16 1HG THR 16 -0.536 15.182 2.071
115 1HG2 THR 16 1HG2 THR 16 2.195 12.611 2.544
116 2HG2 THR 16 2HG2 THR 16 1.962 13.691 1.171
117 3HG2 THR 16 3HG2 THR 16 1.309 12.054 1.125
118 H CYS 17 H CYS 17 1.194 11.512 3.881
119 HA CYS 17 HA CYS 17 -0.353 10.526 6.152
120 1HB CYS 17 2HB CYS 17 2.619 10.289 5.644
121 2HB CYS 17 1HB CYS 17 1.676 9.403 6.844
122 H SER 18 H SER 18 1.252 10.775 8.267
123 HA SER 18 HA SER 18 0.864 13.409 9.121
124 1HB SER 18 2HB SER 18 1.744 12.726 11.158
125 2HB SER 18 1HB SER 18 1.240 11.187 10.466
126 HG SER 18 HG SER 18 3.730 12.066 11.108
127 H GLY 19 H GLY 19 3.927 11.743 8.351
128 1HA GLY 19 2HA GLY 19 5.025 13.988 7.016
129 2HA GLY 19 1HA GLY 19 5.625 13.924 8.672
130 H GLU 20 H GLU 20 5.090 11.655 5.967
131 HA GLU 20 HA GLU 20 7.643 10.375 6.654
132 1HB GLU 20 2HB GLU 20 5.079 9.404 5.601
133 2HB GLU 20 1HB GLU 20 6.490 8.749 4.769
134 1HG GLU 20 2HG GLU 20 6.309 7.202 6.406
135 2HG GLU 20 1HG GLU 20 7.305 8.376 7.265
136 H THR 21 H THR 21 8.372 9.173 4.364
137 HA THR 21 HA THR 21 8.761 11.409 2.488
138 HB THR 21 HB THR 21 10.710 9.166 3.008
139 HG1 THR 21 1HG THR 21 11.821 10.602 4.288
140 1HG2 THR 21 1HG2 THR 21 11.815 9.950 1.268
141 2HG2 THR 21 2HG2 THR 21 11.996 11.489 2.109
142 3HG2 THR 21 3HG2 THR 21 10.620 11.226 1.036
143 H ASN 22 H ASN 22 9.304 7.899 2.450
144 HA ASN 22 HA ASN 22 8.148 7.818 -0.245
145 1HB ASN 22 2HB ASN 22 9.420 5.397 0.921
146 2HB ASN 22 1HB ASN 22 9.495 6.031 -0.724
147 1HD2 ASN 22 1HD2 ASN 22 11.379 5.279 1.706
148 2HD2 ASN 22 2HD2 ASN 22 12.606 6.501 1.584
149 H CYS 23 H CYS 23 6.722 6.082 -0.831
150 HA CYS 23 HA CYS 23 5.095 5.104 1.417
151 1HB CYS 23 2HB CYS 23 4.364 6.364 -1.168
152 2HB CYS 23 1HB CYS 23 3.366 5.006 -0.653
153 H TYR 24 H TYR 24 3.549 3.236 0.175
154 HA TYR 24 HA TYR 24 5.166 1.554 -1.513
155 1HB TYR 24 2HB TYR 24 5.204 -0.364 0.057
156 2HB TYR 24 1HB TYR 24 6.171 1.002 0.613
157 HD1 TYR 24 1HD TYR 24 5.927 1.707 2.805
158 HD2 TYR 24 2HD TYR 24 2.736 -0.425 0.970
159 HE1 TYR 24 1HE TYR 24 4.716 1.691 4.945
160 HE2 TYR 24 2HE TYR 24 1.515 -0.446 3.105
161 HH TYR 24 HH TYR 24 2.836 0.067 5.983
162 H LYS 25 H LYS 25 4.095 -0.693 -1.678
163 HA LYS 25 HA LYS 25 1.212 -0.668 -1.372
164 1HB LYS 25 2HB LYS 25 2.121 0.354 -3.695
165 2HB LYS 25 1HB LYS 25 2.116 -1.357 -4.113
166 1HG LYS 25 2HG LYS 25 -0.299 -0.095 -2.887
167 2HG LYS 25 1HG LYS 25 0.031 0.076 -4.611
168 1HD LYS 25 2HD LYS 25 0.393 -2.575 -4.323
169 2HD LYS 25 1HD LYS 25 -0.808 -2.293 -3.062
170 1HE LYS 25 2HE LYS 25 -2.344 -2.424 -4.673
171 2HE LYS 25 1HE LYS 25 -1.766 -0.849 -5.216
172 1HZ LYS 25 1HZ LYS 25 -1.361 -3.475 -6.383
173 2HZ LYS 25 2HZ LYS 25 -0.006 -2.463 -6.394
174 3HZ LYS 25 3HZ LYS 25 -1.444 -1.959 -7.129
175 H LYS 26 H LYS 26 0.688 -2.623 -0.636
176 HA LYS 26 HA LYS 26 2.340 -4.913 -1.473
177 1HB LYS 26 2HB LYS 26 1.261 -5.726 0.900
178 2HB LYS 26 1HB LYS 26 2.866 -5.047 0.704
179 1HG LYS 26 2HG LYS 26 2.115 -2.880 1.365
180 2HG LYS 26 1HG LYS 26 0.432 -3.409 1.354
181 1HD LYS 26 2HD LYS 26 0.973 -5.017 3.161
182 2HD LYS 26 1HD LYS 26 2.611 -4.362 3.209
183 1HE LYS 26 2HE LYS 26 0.679 -2.237 3.363
184 2HE LYS 26 1HE LYS 26 0.355 -3.447 4.602
185 1HZ LYS 26 1HZ LYS 26 3.121 -2.565 4.239
186 2HZ LYS 26 2HZ LYS 26 2.317 -3.043 5.648
187 3HZ LYS 26 3HZ LYS 26 2.047 -1.504 5.004
188 H TRP 27 H TRP 27 1.316 -6.927 -1.717
189 HA TRP 27 HA TRP 27 -1.524 -7.182 -1.436
190 1HB TRP 27 2HB TRP 27 -1.968 -7.696 -3.819
191 2HB TRP 27 1HB TRP 27 -1.547 -6.025 -3.553
192 HD1 TRP 27 HD TRP 27 -0.549 -9.028 -5.411
193 HE1 TRP 27 1HE TRP 27 1.454 -8.510 -6.921
194 HE3 TRP 27 3HE TRP 27 0.673 -4.440 -3.569
195 HZ2 TRP 27 2HZ TRP 27 3.325 -6.426 -7.295
196 HZ3 TRP 27 3HZ TRP 27 2.579 -3.241 -4.557
197 HH2 TRP 27 HH TRP 27 3.877 -4.214 -6.381
198 H TRP 28 H TRP 28 -2.293 -9.306 -2.247
199 HA TRP 28 HA TRP 28 -0.326 -11.357 -2.717
200 1HB TRP 28 2HB TRP 28 -0.995 -12.671 -0.669
201 2HB TRP 28 1HB TRP 28 -0.038 -11.231 -0.340
202 HD1 TRP 28 HD TRP 28 -3.484 -12.685 0.156
203 HE1 TRP 28 1HE TRP 28 -4.758 -11.197 1.786
204 HE3 TRP 28 3HE TRP 28 -0.203 -8.776 0.482
205 HZ2 TRP 28 2HZ TRP 28 -4.459 -8.713 3.077
206 HZ3 TRP 28 3HZ TRP 28 -0.777 -6.883 1.942
207 HH2 TRP 28 HH TRP 28 -2.865 -6.855 3.213
208 H SER 29 H SER 29 -1.476 -13.591 -2.539
209 HA SER 29 HA SER 29 -4.235 -13.319 -3.539
210 1HB SER 29 2HB SER 29 -2.198 -13.961 -5.171
211 2HB SER 29 1HB SER 29 -2.585 -15.573 -4.557
212 HG SER 29 HG SER 29 -3.878 -14.134 -6.399
213 H ASP 30 H ASP 30 -5.219 -13.921 -1.635
214 HA ASP 30 HA ASP 30 -4.390 -16.277 -0.202
215 1HB ASP 30 2HB ASP 30 -5.698 -14.020 0.547
216 2HB ASP 30 1HB ASP 30 -7.053 -15.136 0.376
217 H HIS 31 H HIS 31 -6.885 -17.340 0.531
218 HA HIS 31 HA HIS 31 -7.363 -19.058 -1.726
219 1HB HIS 31 2HB HIS 31 -9.029 -20.136 -0.147
220 2HB HIS 31 1HB HIS 31 -7.355 -20.127 0.397
221 HD1 HIS 31 1HD HIS 31 -10.455 -17.959 0.868
222 HD2 HIS 31 2HD HIS 31 -7.105 -19.272 2.947
223 HE1 HIS 31 1HE HIS 31 -10.713 -17.053 3.199
224 HE2 HIS 31 2HE HIS 31 -8.721 -17.938 4.463
225 H ARG 32 H ARG 32 -8.982 -16.381 -0.173
226 HA ARG 32 HA ARG 32 -11.473 -16.775 -1.557
227 1HB ARG 32 2HB ARG 32 -10.371 -14.837 0.389
228 2HB ARG 32 1HB ARG 32 -11.616 -14.214 -0.695
229 1HG ARG 32 2HG ARG 32 -12.948 -16.311 0.017
230 2HG ARG 32 1HG ARG 32 -11.812 -16.369 1.368
231 1HD ARG 32 2HD ARG 32 -13.260 -13.837 0.686
232 2HD ARG 32 1HD ARG 32 -14.040 -15.087 1.654
233 HE ARG 32 HE ARG 32 -11.920 -13.319 2.474
234 1HH1 ARG 32 1HH1 ARG 32 -13.526 -16.356 3.089
235 2HH1 ARG 32 2HH1 ARG 32 -13.024 -16.430 4.744
236 1HH2 ARG 32 1HH2 ARG 32 -11.260 -13.413 4.652
237 2HH2 ARG 32 2HH2 ARG 32 -11.739 -14.759 5.632
238 H GLY 33 H GLY 33 -8.567 -14.862 -2.014
239 1HA GLY 33 2HA GLY 33 -8.752 -14.610 -4.745
240 2HA GLY 33 1HA GLY 33 -9.639 -13.227 -4.106
241 H THR 34 H THR 34 -8.455 -11.448 -4.076
242 HA THR 34 HA THR 34 -5.674 -11.618 -3.163
243 HB THR 34 HB THR 34 -5.772 -11.558 -5.678
244 HG1 THR 34 1HG THR 34 -3.893 -10.819 -4.964
245 1HG2 THR 34 1HG2 THR 34 -7.702 -9.693 -5.451
246 2HG2 THR 34 2HG2 THR 34 -6.687 -9.905 -6.878
247 3HG2 THR 34 3HG2 THR 34 -6.283 -8.671 -5.683
248 H ILE 35 H ILE 35 -4.873 -9.762 -2.150
249 HA ILE 35 HA ILE 35 -6.810 -7.598 -1.673
250 HB ILE 35 HB ILE 35 -5.086 -8.734 0.522
251 1HG1 ILE 35 2HG1 ILE 35 -8.038 -9.234 0.097
252 2HG1 ILE 35 1HG1 ILE 35 -6.777 -10.394 -0.311
253 1HG2 ILE 35 1HG2 ILE 35 -7.416 -6.824 0.512
254 2HG2 ILE 35 2HG2 ILE 35 -5.731 -6.441 0.863
255 3HG2 ILE 35 3HG2 ILE 35 -6.648 -7.468 1.964
256 1HD1 ILE 35 1HD1 ILE 35 -6.875 -11.172 1.752
257 2HD1 ILE 35 2HD1 ILE 35 -8.060 -9.939 2.186
258 3HD1 ILE 35 3HD1 ILE 35 -6.336 -9.605 2.356
259 H ILE 36 H ILE 36 -5.852 -5.570 -1.031
260 HA ILE 36 HA ILE 36 -2.951 -5.376 -1.385
261 HB ILE 36 HB ILE 36 -3.141 -3.501 -2.926
262 1HG1 ILE 36 2HG1 ILE 36 -6.114 -4.069 -2.855
263 2HG1 ILE 36 1HG1 ILE 36 -5.318 -2.632 -2.225
264 1HG2 ILE 36 1HG2 ILE 36 -3.513 -6.154 -3.538
265 2HG2 ILE 36 2HG2 ILE 36 -3.133 -4.871 -4.686
266 3HG2 ILE 36 3HG2 ILE 36 -4.808 -5.355 -4.427
267 1HD1 ILE 36 1HD1 ILE 36 -4.924 -3.296 -5.088
268 2HD1 ILE 36 2HD1 ILE 36 -5.016 -1.728 -4.287
269 3HD1 ILE 36 3HD1 ILE 36 -6.487 -2.655 -4.580
270 H GLU 37 H GLU 37 -2.026 -4.029 0.046
271 HA GLU 37 HA GLU 37 -3.726 -2.019 1.357
272 1HB GLU 37 2HB GLU 37 -1.813 -2.528 3.236
273 2HB GLU 37 1HB GLU 37 -3.432 -3.225 3.237
274 1HG GLU 37 2HG GLU 37 -2.641 -5.234 2.239
275 2HG GLU 37 1HG GLU 37 -1.052 -4.532 1.943
276 H ARG 38 H ARG 38 -2.403 -0.255 2.398
277 HA ARG 38 HA ARG 38 0.162 0.229 1.091
278 1HB ARG 38 2HB ARG 38 -2.306 1.901 0.734
279 2HB ARG 38 1HB ARG 38 -0.711 2.625 0.610
280 1HG ARG 38 2HG ARG 38 -1.187 2.132 -1.584
281 2HG ARG 38 1HG ARG 38 -0.256 0.717 -1.092
282 1HD ARG 38 2HD ARG 38 -1.972 -0.636 -1.509
283 2HD ARG 38 1HD ARG 38 -3.054 0.343 -0.519
284 HE ARG 38 HE ARG 38 -3.041 0.223 -3.319
285 1HH1 ARG 38 1HH1 ARG 38 -3.147 2.640 -0.803
286 2HH1 ARG 38 2HH1 ARG 38 -4.102 3.737 -1.734
287 1HH2 ARG 38 1HH2 ARG 38 -4.322 1.652 -4.521
288 2HH2 ARG 38 2HH2 ARG 38 -4.770 3.180 -3.841
289 H GLY 39 H GLY 39 0.823 2.653 1.857
290 1HA GLY 39 2HA GLY 39 0.009 3.621 4.332
291 2HA GLY 39 1HA GLY 39 1.244 2.413 4.653
292 H CYS 40 H CYS 40 2.820 3.771 5.398
293 HA CYS 40 HA CYS 40 4.063 5.483 3.370
294 1HB CYS 40 2HB CYS 40 2.783 6.388 5.813
295 2HB CYS 40 1HB CYS 40 4.492 6.829 5.786
296 H GLY 41 H GLY 41 6.089 4.846 3.109
297 1HA GLY 41 2HA GLY 41 8.263 4.809 4.439
298 2HA GLY 41 1HA GLY 41 7.460 3.554 5.381
299 H CYS 42 H CYS 42 9.104 2.062 4.839
300 HA CYS 42 HA CYS 42 8.574 0.626 2.410
301 1HB CYS 42 2HB CYS 42 10.149 2.364 1.613
302 2HB CYS 42 1HB CYS 42 11.334 1.811 2.800
303 HA PRO 43 HA PRO 43 10.274 -1.779 6.057
304 1HB PRO 43 2HB PRO 43 8.029 -2.964 6.916
305 2HB PRO 43 1HB PRO 43 8.453 -1.316 7.411
306 1HG PRO 43 2HG PRO 43 6.519 -2.230 5.315
307 2HG PRO 43 1HG PRO 43 6.342 -0.933 6.515
308 1HD PRO 43 2HD PRO 43 7.044 -0.520 3.888
309 2HD PRO 43 1HD PRO 43 7.469 0.580 5.219
310 H LYS 44 H LYS 44 10.047 -4.208 6.418
311 HA LYS 44 HA LYS 44 10.204 -5.512 3.844
312 1HB LYS 44 2HB LYS 44 11.588 -5.846 6.142
313 2HB LYS 44 1HB LYS 44 10.395 -7.126 6.319
314 1HG LYS 44 2HG LYS 44 11.288 -8.374 4.671
315 2HG LYS 44 1HG LYS 44 11.728 -6.970 3.697
316 1HD LYS 44 2HD LYS 44 13.428 -6.625 5.733
317 2HD LYS 44 1HD LYS 44 13.257 -8.380 5.807
318 1HE LYS 44 2HE LYS 44 14.916 -8.347 4.284
319 2HE LYS 44 1HE LYS 44 13.598 -8.038 3.154
320 1HZ LYS 44 1HZ LYS 44 14.026 -5.616 3.554
321 2HZ LYS 44 2HZ LYS 44 15.254 -6.435 2.728
322 3HZ LYS 44 3HZ LYS 44 15.442 -6.061 4.367
323 H VAL 45 H VAL 45 9.358 -8.045 4.264
324 HA VAL 45 HA VAL 45 6.629 -8.005 5.251
325 HB VAL 45 HB VAL 45 5.791 -8.989 3.062
326 1HG1 VAL 45 1HG1 VAL 45 6.641 -6.097 3.137
327 2HG1 VAL 45 2HG1 VAL 45 5.154 -6.771 3.802
328 3HG1 VAL 45 3HG1 VAL 45 5.420 -6.771 2.058
329 1HG2 VAL 45 1HG2 VAL 45 8.385 -9.014 2.323
330 2HG2 VAL 45 2HG2 VAL 45 7.866 -7.491 1.601
331 3HG2 VAL 45 3HG2 VAL 45 7.041 -8.992 1.182
332 H LYS 46 H LYS 46 5.594 -10.216 4.905
333 HA LYS 46 HA LYS 46 7.430 -12.188 5.829
334 1HB LYS 46 2HB LYS 46 5.120 -13.577 5.555
335 2HB LYS 46 1HB LYS 46 5.538 -12.632 6.974
336 1HG LYS 46 2HG LYS 46 4.224 -10.784 6.198
337 2HG LYS 46 1HG LYS 46 3.921 -11.591 4.659
338 1HD LYS 46 2HD LYS 46 2.578 -13.251 5.695
339 2HD LYS 46 1HD LYS 46 3.092 -12.756 7.309
340 1HE LYS 46 2HE LYS 46 1.718 -10.926 7.334
341 2HE LYS 46 1HE LYS 46 1.754 -10.740 5.582
342 1HZ LYS 46 1HZ LYS 46 -0.308 -11.584 5.753
343 2HZ LYS 46 2HZ LYS 46 -0.014 -12.337 7.237
344 3HZ LYS 46 3HZ LYS 46 0.497 -13.072 5.803
345 HA PRO 47 HA PRO 47 7.928 -14.468 2.097
346 1HB PRO 47 2HB PRO 47 7.640 -17.083 2.985
347 2HB PRO 47 1HB PRO 47 9.096 -16.117 3.106
348 1HG PRO 47 2HG PRO 47 7.376 -17.008 5.181
349 2HG PRO 47 1HG PRO 47 8.912 -16.155 5.314
350 1HD PRO 47 2HD PRO 47 6.224 -15.136 5.629
351 2HD PRO 47 1HD PRO 47 7.774 -14.344 5.968
352 H GLY 48 H GLY 48 6.410 -14.273 0.570
353 1HA GLY 48 2HA GLY 48 4.810 -15.784 -0.639
354 2HA GLY 48 1HA GLY 48 3.924 -15.844 0.885
355 H VAL 49 H VAL 49 4.577 -12.944 1.338
356 HA VAL 49 HA VAL 49 2.345 -11.889 -0.220
357 HB VAL 49 HB VAL 49 3.806 -10.447 1.984
358 1HG1 VAL 49 1HG1 VAL 49 1.812 -9.162 2.187
359 2HG1 VAL 49 2HG1 VAL 49 0.936 -10.240 1.100
360 3HG1 VAL 49 3HG1 VAL 49 2.228 -9.216 0.473
361 1HG2 VAL 49 1HG2 VAL 49 3.116 -12.621 2.855
362 2HG2 VAL 49 2HG2 VAL 49 1.474 -12.341 2.277
363 3HG2 VAL 49 3HG2 VAL 49 2.145 -11.325 3.553
364 H ASN 50 H ASN 50 2.476 -9.925 -1.386
365 HA ASN 50 HA ASN 50 5.198 -9.311 -2.316
366 1HB ASN 50 2HB ASN 50 2.786 -8.334 -3.778
367 2HB ASN 50 1HB ASN 50 4.358 -8.822 -4.408
368 1HD2 ASN 50 1HD2 ASN 50 1.161 -9.742 -3.829
369 2HD2 ASN 50 2HD2 ASN 50 1.303 -11.415 -4.275
370 H LEU 51 H LEU 51 5.888 -7.180 -2.531
371 HA LEU 51 HA LEU 51 4.240 -4.973 -1.734
372 1HB LEU 51 2HB LEU 51 4.754 -5.782 0.459
373 2HB LEU 51 1HB LEU 51 6.449 -5.974 0.054
374 HG LEU 51 HG LEU 51 6.402 -3.396 -0.304
375 1HD1 LEU 51 1HD1 LEU 51 4.750 -2.171 0.767
376 2HD1 LEU 51 2HD1 LEU 51 4.190 -3.557 1.703
377 3HD1 LEU 51 3HD1 LEU 51 3.843 -3.459 -0.023
378 1HD2 LEU 51 1HD2 LEU 51 6.109 -4.084 2.561
379 2HD2 LEU 51 2HD2 LEU 51 7.391 -3.203 1.729
380 3HD2 LEU 51 3HD2 LEU 51 7.326 -4.964 1.634
381 H ASN 52 H ASN 52 5.169 -2.962 -2.250
382 HA ASN 52 HA ASN 52 7.907 -2.870 -3.182
383 1HB ASN 52 2HB ASN 52 7.553 -2.505 -5.434
384 2HB ASN 52 1HB ASN 52 6.303 -3.690 -5.085
385 1HD2 ASN 52 1HD2 ASN 52 4.280 -2.347 -4.056
386 2HD2 ASN 52 2HD2 ASN 52 3.712 -1.121 -5.131
387 H CYS 53 H CYS 53 8.772 -1.011 -2.571
388 HA CYS 53 HA CYS 53 7.091 1.144 -1.643
389 1HB CYS 53 2HB CYS 53 10.087 1.267 -1.786
390 2HB CYS 53 1HB CYS 53 8.997 1.991 -0.609
391 H CYS 54 H CYS 54 7.333 3.344 -2.345
392 HA CYS 54 HA CYS 54 8.772 3.958 -4.753
393 1HB CYS 54 2HB CYS 54 6.651 4.698 -5.963
394 2HB CYS 54 1HB CYS 54 6.980 2.967 -5.922
395 H ARG 55 H ARG 55 8.523 6.127 -5.431
396 HA ARG 55 HA ARG 55 7.695 7.902 -3.257
397 1HB ARG 55 2HB ARG 55 9.848 8.976 -4.810
398 2HB ARG 55 1HB ARG 55 9.777 8.632 -3.093
399 1HG ARG 55 2HG ARG 55 10.318 6.232 -3.707
400 2HG ARG 55 1HG ARG 55 10.725 6.860 -5.310
401 1HD ARG 55 2HD ARG 55 12.739 7.411 -4.557
402 2HD ARG 55 1HD ARG 55 11.995 8.525 -3.412
403 HE ARG 55 HE ARG 55 11.882 5.916 -2.373
404 1HH1 ARG 55 1HH1 ARG 55 14.198 8.433 -3.065
405 2HH1 ARG 55 2HH1 ARG 55 15.293 7.939 -1.819
406 1HH2 ARG 55 1HH2 ARG 55 13.320 5.266 -0.732
407 2HH2 ARG 55 2HH2 ARG 55 14.795 6.141 -0.493
408 H THR 56 H THR 56 6.093 7.213 -5.536
409 HA THR 56 HA THR 56 6.056 9.811 -6.931
410 HB THR 56 HB THR 56 4.699 8.124 -8.617
411 HG1 THR 56 1HG THR 56 5.492 6.183 -8.521
412 1HG2 THR 56 1HG2 THR 56 6.120 9.189 -9.936
413 2HG2 THR 56 2HG2 THR 56 7.300 7.942 -9.531
414 3HG2 THR 56 3HG2 THR 56 7.261 9.449 -8.618
415 H ASP 57 H ASP 57 4.006 10.698 -7.417
416 HA ASP 57 HA ASP 57 2.063 10.368 -5.410
417 1HB ASP 57 2HB ASP 57 2.477 12.425 -6.860
418 2HB ASP 57 1HB ASP 57 1.552 11.602 -8.118
419 H ARG 58 H ARG 58 0.456 8.950 -5.195
420 HA ARG 58 HA ARG 58 -1.019 7.271 -5.631
421 1HB ARG 58 2HB ARG 58 -0.967 8.204 -8.503
422 2HB ARG 58 1HB ARG 58 -2.268 7.353 -7.670
423 1HG ARG 58 2HG ARG 58 -2.631 9.316 -6.251
424 2HG ARG 58 1HG ARG 58 -1.342 10.164 -7.106
425 1HD ARG 58 2HD ARG 58 -3.002 9.246 -9.126
426 2HD ARG 58 1HD ARG 58 -4.115 9.750 -7.855
427 HE ARG 58 HE ARG 58 -2.053 11.672 -8.423
428 1HH1 ARG 58 1HH1 ARG 58 -5.231 10.536 -9.312
429 2HH1 ARG 58 2HH1 ARG 58 -5.715 12.049 -10.002
430 1HH2 ARG 58 1HH2 ARG 58 -2.689 13.663 -9.328
431 2HH2 ARG 58 2HH2 ARG 58 -4.273 13.824 -10.011
432 H CYS 59 H CYS 59 1.872 6.860 -5.929
433 HA CYS 59 HA CYS 59 2.331 5.092 -8.109
434 1HB CYS 59 2HB CYS 59 4.478 4.731 -7.115
435 2HB CYS 59 1HB CYS 59 4.085 6.439 -6.946
436 H ASN 60 H ASN 60 0.580 4.686 -5.279
437 HA ASN 60 HA ASN 60 1.089 1.782 -5.278
438 1HB ASN 60 2HB ASN 60 0.206 1.823 -2.936
439 2HB ASN 60 1HB ASN 60 1.709 2.722 -3.154
440 1HD2 ASN 60 1HD2 ASN 60 0.890 3.613 -1.065
441 2HD2 ASN 60 2HD2 ASN 60 -0.134 5.013 -1.150
442 H ASN 61 H ASN 61 -0.910 3.645 -6.770
443 HA ASN 61 HA ASN 61 -3.458 2.725 -5.819
444 1HB ASN 61 2HB ASN 61 -4.386 4.187 -7.348
445 2HB ASN 61 1HB ASN 61 -2.837 4.953 -7.055
446 1HD2 ASN 61 1HD2 ASN 61 -1.285 3.135 -8.606
447 2HD2 ASN 61 2HD2 ASN 61 -1.652 3.436 -10.274
Start of MODEL 9
1 1H LEU 1 1HT LEU 1 3.638 16.072 0.413
2 2H LEU 1 2HT LEU 1 5.281 15.679 0.108
3 3H LEU 1 3HT LEU 1 4.409 14.843 1.327
4 HA LEU 1 HA LEU 1 4.155 14.677 -1.583
5 1HB LEU 1 2HB LEU 1 5.700 13.288 0.003
6 2HB LEU 1 1HB LEU 1 4.218 12.463 0.436
7 HG LEU 1 HG LEU 1 5.834 11.574 -1.459
8 1HD1 LEU 1 1HD1 LEU 1 3.343 10.962 -2.534
9 2HD1 LEU 1 2HD1 LEU 1 3.065 11.227 -0.813
10 3HD1 LEU 1 3HD1 LEU 1 4.257 10.039 -1.341
11 1HD2 LEU 1 1HD2 LEU 1 5.711 13.555 -2.863
12 2HD2 LEU 1 2HD2 LEU 1 3.965 13.363 -2.998
13 3HD2 LEU 1 3HD2 LEU 1 5.040 12.150 -3.689
14 H GLU 2 H GLU 2 2.521 12.789 -2.059
15 HA GLU 2 HA GLU 2 0.133 12.933 -0.403
16 1HB GLU 2 2HB GLU 2 0.343 14.697 -2.476
17 2HB GLU 2 1HB GLU 2 -0.454 13.340 -3.260
18 1HG GLU 2 2HG GLU 2 -1.965 13.485 -1.076
19 2HG GLU 2 1HG GLU 2 -1.437 15.165 -1.153
20 H CYS 3 H CYS 3 0.448 10.732 -0.021
21 HA CYS 3 HA CYS 3 0.166 8.968 -2.357
22 1HB CYS 3 2HB CYS 3 1.618 8.735 0.216
23 2HB CYS 3 1HB CYS 3 0.844 7.264 -0.377
24 H HIS 4 H HIS 4 -0.817 6.721 -1.436
25 HA HIS 4 HA HIS 4 -3.464 7.474 -0.423
26 1HB HIS 4 2HB HIS 4 -2.484 5.077 -1.976
27 2HB HIS 4 1HB HIS 4 -4.099 5.161 -1.267
28 HD1 HIS 4 1HD HIS 4 -5.390 7.544 -2.075
29 HD2 HIS 4 2HD HIS 4 -2.495 5.878 -4.547
30 HE1 HIS 4 1HE HIS 4 -5.830 8.497 -4.359
31 HE2 HIS 4 2HE HIS 4 -4.141 7.383 -5.860
32 H ASN 5 H ASN 5 -4.490 5.323 0.675
33 HA ASN 5 HA ASN 5 -2.819 3.784 2.343
34 1HB ASN 5 2HB ASN 5 -3.273 4.836 4.512
35 2HB ASN 5 1HB ASN 5 -2.395 5.937 3.447
36 1HD2 ASN 5 1HD2 ASN 5 -3.574 7.627 2.416
37 2HD2 ASN 5 2HD2 ASN 5 -5.018 8.256 3.148
38 H GLN 6 H GLN 6 -4.875 3.033 0.780
39 HA GLN 6 HA GLN 6 -6.844 2.121 2.748
40 1HB GLN 6 2HB GLN 6 -8.698 2.530 1.204
41 2HB GLN 6 1HB GLN 6 -7.875 4.028 1.612
42 1HG GLN 6 2HG GLN 6 -8.200 4.236 -0.654
43 2HG GLN 6 1HG GLN 6 -6.551 3.623 -0.565
44 1HE2 GLN 6 1HE2 GLN 6 -7.117 3.101 -2.843
45 2HE2 GLN 6 2HE2 GLN 6 -7.853 1.559 -3.151
46 H GLN 7 H GLN 7 -8.127 0.266 1.959
47 HA GLN 7 HA GLN 7 -6.493 -1.430 0.207
48 1HB GLN 7 2HB GLN 7 -8.060 -3.228 1.348
49 2HB GLN 7 1HB GLN 7 -6.609 -2.645 2.146
50 1HG GLN 7 2HG GLN 7 -9.191 -1.251 2.645
51 2HG GLN 7 1HG GLN 7 -8.895 -2.809 3.414
52 1HE2 GLN 7 1HE2 GLN 7 -8.704 0.401 3.874
53 2HE2 GLN 7 2HE2 GLN 7 -7.428 0.467 5.051
54 H SER 8 H SER 8 -7.409 -2.517 -1.508
55 HA SER 8 HA SER 8 -9.500 -1.333 -2.884
56 1HB SER 8 2HB SER 8 -9.505 -3.346 -4.313
57 2HB SER 8 1HB SER 8 -7.862 -2.781 -3.979
58 HG SER 8 HG SER 8 -7.832 -4.391 -2.272
59 H SER 9 H SER 9 -11.570 -1.215 -2.412
60 HA SER 9 HA SER 9 -13.357 -3.260 -2.173
61 1HB SER 9 2HB SER 9 -13.750 -2.899 0.466
62 2HB SER 9 1HB SER 9 -12.737 -4.190 -0.179
63 HG SER 9 HG SER 9 -11.235 -3.308 0.988
64 H GLN 10 H GLN 10 -13.124 -0.662 0.230
65 HA GLN 10 HA GLN 10 -15.650 0.414 -0.685
66 1HB GLN 10 2HB GLN 10 -13.878 0.832 1.676
67 2HB GLN 10 1HB GLN 10 -15.048 2.086 1.265
68 1HG GLN 10 2HG GLN 10 -16.222 -0.553 1.239
69 2HG GLN 10 1HG GLN 10 -15.482 -0.174 2.793
70 1HE2 GLN 10 1HE2 GLN 10 -17.901 0.767 0.461
71 2HE2 GLN 10 2HE2 GLN 10 -18.828 1.770 1.533
72 H ALA 11 H ALA 11 -15.610 3.024 -0.392
73 HA ALA 11 HA ALA 11 -14.391 4.007 -2.712
74 1HB ALA 11 1HB ALA 11 -16.350 4.899 -1.093
75 2HB ALA 11 2HB ALA 11 -15.553 5.896 -2.309
76 3HB ALA 11 3HB ALA 11 -15.039 5.981 -0.624
77 HA PRO 12 HA PRO 12 -10.115 4.189 -1.245
78 1HB PRO 12 2HB PRO 12 -10.159 6.020 -3.621
79 2HB PRO 12 1HB PRO 12 -8.940 4.827 -3.147
80 1HG PRO 12 2HG PRO 12 -10.660 4.197 -5.033
81 2HG PRO 12 1HG PRO 12 -10.293 3.021 -3.749
82 1HD PRO 12 2HD PRO 12 -12.717 4.740 -4.105
83 2HD PRO 12 1HD PRO 12 -12.590 3.070 -3.506
84 H THR 13 H THR 13 -8.559 6.030 -0.830
85 HA THR 13 HA THR 13 -9.684 8.653 -0.436
86 HB THR 13 HB THR 13 -9.370 8.731 1.973
87 HG1 THR 13 1HG THR 13 -8.868 6.789 3.091
88 1HG2 THR 13 1HG2 THR 13 -11.146 7.367 2.748
89 2HG2 THR 13 2HG2 THR 13 -10.965 6.255 1.391
90 3HG2 THR 13 3HG2 THR 13 -11.557 7.893 1.116
91 H THR 14 H THR 14 -7.868 9.773 1.237
92 HA THR 14 HA THR 14 -5.197 8.957 0.461
93 HB THR 14 HB THR 14 -5.549 10.263 -1.440
94 HG1 THR 14 1HG THR 14 -3.694 11.010 -0.491
95 1HG2 THR 14 1HG2 THR 14 -7.293 11.609 -1.602
96 2HG2 THR 14 2HG2 THR 14 -6.409 12.795 -0.641
97 3HG2 THR 14 3HG2 THR 14 -7.489 11.646 0.150
98 H LYS 15 H LYS 15 -3.533 10.452 1.422
99 HA LYS 15 HA LYS 15 -4.338 12.099 3.633
100 1HB LYS 15 2HB LYS 15 -4.489 9.672 4.450
101 2HB LYS 15 1HB LYS 15 -2.734 9.646 4.329
102 1HG LYS 15 2HG LYS 15 -3.359 10.110 6.593
103 2HG LYS 15 1HG LYS 15 -2.638 11.559 5.893
104 1HD LYS 15 2HD LYS 15 -5.330 11.838 5.330
105 2HD LYS 15 1HD LYS 15 -5.318 11.126 6.945
106 1HE LYS 15 2HE LYS 15 -3.424 13.344 6.454
107 2HE LYS 15 1HE LYS 15 -5.136 13.762 6.498
108 1HZ LYS 15 1HZ LYS 15 -3.593 13.605 8.664
109 2HZ LYS 15 2HZ LYS 15 -4.215 12.034 8.638
110 3HZ LYS 15 3HZ LYS 15 -5.266 13.357 8.690
111 H THR 16 H THR 16 -2.506 13.125 4.692
112 HA THR 16 HA THR 16 -0.138 13.179 2.941
113 HB THR 16 HB THR 16 -1.405 15.280 2.955
114 HG1 THR 16 1HG THR 16 1.068 15.423 4.333
115 1HG2 THR 16 1HG2 THR 16 -0.731 15.528 5.871
116 2HG2 THR 16 2HG2 THR 16 -2.323 15.068 5.265
117 3HG2 THR 16 3HG2 THR 16 -1.654 16.652 4.872
118 H CYS 17 H CYS 17 1.623 12.302 3.781
119 HA CYS 17 HA CYS 17 1.816 11.749 6.602
120 1HB CYS 17 2HB CYS 17 3.841 11.291 4.399
121 2HB CYS 17 1HB CYS 17 3.909 10.616 6.028
122 H SER 18 H SER 18 3.794 12.294 7.840
123 HA SER 18 HA SER 18 4.181 15.055 7.991
124 1HB SER 18 2HB SER 18 6.365 14.162 9.289
125 2HB SER 18 1HB SER 18 4.748 14.107 9.989
126 HG SER 18 HG SER 18 5.126 12.048 10.135
127 H GLY 19 H GLY 19 6.842 12.787 7.327
128 1HA GLY 19 2HA GLY 19 7.608 14.196 4.929
129 2HA GLY 19 1HA GLY 19 8.671 14.512 6.299
130 H GLU 20 H GLU 20 7.115 11.705 4.738
131 HA GLU 20 HA GLU 20 9.368 10.024 5.417
132 1HB GLU 20 2HB GLU 20 6.642 9.636 4.352
133 2HB GLU 20 1HB GLU 20 7.849 8.496 3.756
134 1HG GLU 20 2HG GLU 20 6.902 7.473 5.632
135 2HG GLU 20 1HG GLU 20 8.457 8.096 6.183
136 H THR 21 H THR 21 10.263 8.573 3.639
137 HA THR 21 HA THR 21 11.268 10.290 1.537
138 HB THR 21 HB THR 21 12.014 7.420 1.629
139 HG1 THR 21 1HG THR 21 13.304 7.727 3.437
140 1HG2 THR 21 1HG2 THR 21 14.328 8.631 1.660
141 2HG2 THR 21 2HG2 THR 21 13.377 10.008 1.107
142 3HG2 THR 21 3HG2 THR 21 13.389 8.513 0.172
143 H ASN 22 H ASN 22 10.056 6.954 1.516
144 HA ASN 22 HA ASN 22 8.567 7.575 -0.943
145 1HB ASN 22 2HB ASN 22 9.877 4.896 -0.640
146 2HB ASN 22 1HB ASN 22 9.387 5.742 -2.110
147 1HD2 ASN 22 1HD2 ASN 22 11.938 4.925 -0.115
148 2HD2 ASN 22 2HD2 ASN 22 13.136 6.001 -0.765
149 H CYS 23 H CYS 23 6.744 6.197 -1.346
150 HA CYS 23 HA CYS 23 5.512 5.240 1.097
151 1HB CYS 23 2HB CYS 23 4.337 5.423 -1.682
152 2HB CYS 23 1HB CYS 23 3.467 5.253 -0.163
153 H TYR 24 H TYR 24 3.776 3.325 0.029
154 HA TYR 24 HA TYR 24 5.280 1.344 -1.394
155 1HB TYR 24 2HB TYR 24 5.230 -0.363 0.388
156 2HB TYR 24 1HB TYR 24 6.260 1.009 0.796
157 HD1 TYR 24 1HD TYR 24 3.123 -0.734 1.557
158 HD2 TYR 24 2HD TYR 24 5.674 2.503 2.612
159 HE1 TYR 24 1HE TYR 24 1.893 -0.460 3.669
160 HE2 TYR 24 2HE TYR 24 4.452 2.785 4.726
161 HH TYR 24 HH TYR 24 3.031 1.541 6.213
162 H LYS 25 H LYS 25 4.075 -0.810 -1.319
163 HA LYS 25 HA LYS 25 1.240 -0.695 -0.889
164 1HB LYS 25 2HB LYS 25 1.840 0.441 -3.196
165 2HB LYS 25 1HB LYS 25 1.996 -1.230 -3.734
166 1HG LYS 25 2HG LYS 25 -0.432 -0.939 -2.261
167 2HG LYS 25 1HG LYS 25 -0.343 0.313 -3.499
168 1HD LYS 25 2HD LYS 25 0.493 -1.844 -4.904
169 2HD LYS 25 1HD LYS 25 -0.624 -2.605 -3.770
170 1HE LYS 25 2HE LYS 25 -2.427 -1.694 -4.748
171 2HE LYS 25 1HE LYS 25 -1.634 -0.136 -4.976
172 1HZ LYS 25 1HZ LYS 25 -1.753 -0.757 -7.126
173 2HZ LYS 25 2HZ LYS 25 -1.807 -2.412 -6.779
174 3HZ LYS 25 3HZ LYS 25 -0.327 -1.592 -6.761
175 H LYS 26 H LYS 26 0.843 -2.625 -0.067
176 HA LYS 26 HA LYS 26 2.340 -4.934 -1.111
177 1HB LYS 26 2HB LYS 26 1.393 -5.782 1.306
178 2HB LYS 26 1HB LYS 26 2.997 -5.130 1.029
179 1HG LYS 26 2HG LYS 26 2.373 -2.993 1.828
180 2HG LYS 26 1HG LYS 26 0.662 -3.419 1.819
181 1HD LYS 26 2HD LYS 26 1.039 -5.043 3.591
182 2HD LYS 26 1HD LYS 26 2.766 -4.687 3.570
183 1HE LYS 26 2HE LYS 26 1.066 -2.330 3.907
184 2HE LYS 26 1HE LYS 26 0.925 -3.507 5.212
185 1HZ LYS 26 1HZ LYS 26 3.626 -2.867 4.347
186 2HZ LYS 26 2HZ LYS 26 3.020 -3.124 5.904
187 3HZ LYS 26 3HZ LYS 26 2.792 -1.630 5.146
188 H TRP 27 H TRP 27 1.257 -6.933 -1.302
189 HA TRP 27 HA TRP 27 -1.587 -7.046 -0.883
190 1HB TRP 27 2HB TRP 27 -2.098 -7.673 -3.250
191 2HB TRP 27 1HB TRP 27 -1.692 -5.996 -3.018
192 HD1 TRP 27 HD TRP 27 -0.649 -9.046 -4.791
193 HE1 TRP 27 1HE TRP 27 1.291 -8.517 -6.380
194 HE3 TRP 27 3HE TRP 27 0.427 -4.330 -3.195
195 HZ2 TRP 27 2HZ TRP 27 3.060 -6.377 -6.902
196 HZ3 TRP 27 3HZ TRP 27 2.251 -3.100 -4.296
197 HH2 TRP 27 HH TRP 27 3.541 -4.103 -6.108
198 H TRP 28 H TRP 28 -2.509 -9.118 -1.356
199 HA TRP 28 HA TRP 28 -0.769 -11.342 -1.936
200 1HB TRP 28 2HB TRP 28 -1.130 -12.452 0.259
201 2HB TRP 28 1HB TRP 28 -0.198 -10.964 0.408
202 HD1 TRP 28 HD TRP 28 -3.602 -12.424 1.212
203 HE1 TRP 28 1HE TRP 28 -4.753 -10.885 2.880
204 HE3 TRP 28 3HE TRP 28 -0.269 -8.546 1.227
205 HZ2 TRP 28 2HZ TRP 28 -4.349 -8.372 4.089
206 HZ3 TRP 28 3HZ TRP 28 -0.729 -6.610 2.674
207 HH2 TRP 28 HH TRP 28 -2.730 -6.527 4.075
208 H SER 29 H SER 29 -2.131 -13.447 -1.152
209 HA SER 29 HA SER 29 -4.896 -13.022 -2.084
210 1HB SER 29 2HB SER 29 -3.286 -14.250 -3.672
211 2HB SER 29 1HB SER 29 -3.352 -15.580 -2.509
212 HG SER 29 HG SER 29 -5.015 -16.079 -3.745
213 H ASP 30 H ASP 30 -6.511 -13.900 -0.874
214 HA ASP 30 HA ASP 30 -5.675 -15.323 1.561
215 1HB ASP 30 2HB ASP 30 -6.914 -13.177 1.839
216 2HB ASP 30 1HB ASP 30 -8.295 -13.908 1.018
217 H HIS 31 H HIS 31 -8.639 -15.245 -0.408
218 HA HIS 31 HA HIS 31 -8.492 -18.132 -0.756
219 1HB HIS 31 2HB HIS 31 -11.145 -17.889 -0.121
220 2HB HIS 31 1HB HIS 31 -9.904 -18.489 0.969
221 HD1 HIS 31 1HD HIS 31 -10.893 -17.629 3.123
222 HD2 HIS 31 2HD HIS 31 -10.419 -14.649 0.266
223 HE1 HIS 31 1HE HIS 31 -11.343 -15.468 4.326
224 HE2 HIS 31 2HE HIS 31 -11.142 -13.686 2.555
225 H ARG 32 H ARG 32 -11.192 -15.857 -1.105
226 HA ARG 32 HA ARG 32 -11.162 -16.413 -3.991
227 1HB ARG 32 2HB ARG 32 -13.337 -16.045 -1.998
228 2HB ARG 32 1HB ARG 32 -13.620 -15.418 -3.621
229 1HG ARG 32 2HG ARG 32 -13.578 -17.512 -4.583
230 2HG ARG 32 1HG ARG 32 -12.635 -18.212 -3.265
231 1HD ARG 32 2HD ARG 32 -15.188 -17.186 -2.350
232 2HD ARG 32 1HD ARG 32 -15.381 -18.392 -3.621
233 HE ARG 32 HE ARG 32 -13.552 -19.177 -1.546
234 1HH1 ARG 32 1HH1 ARG 32 -16.898 -19.108 -2.538
235 2HH1 ARG 32 2HH1 ARG 32 -17.353 -20.443 -1.535
236 1HH2 ARG 32 1HH2 ARG 32 -14.150 -20.935 -0.226
237 2HH2 ARG 32 2HH2 ARG 32 -15.794 -21.480 -0.222
238 H GLY 33 H GLY 33 -9.614 -14.329 -2.520
239 1HA GLY 33 2HA GLY 33 -10.131 -12.177 -4.327
240 2HA GLY 33 1HA GLY 33 -10.671 -11.786 -2.696
241 H THR 34 H THR 34 -8.690 -10.351 -4.035
242 HA THR 34 HA THR 34 -6.245 -11.126 -2.588
243 HB THR 34 HB THR 34 -6.537 -9.386 -5.046
244 HG1 THR 34 1HG THR 34 -5.472 -11.996 -4.736
245 1HG2 THR 34 1HG2 THR 34 -3.921 -10.482 -4.201
246 2HG2 THR 34 2HG2 THR 34 -4.538 -9.066 -3.349
247 3HG2 THR 34 3HG2 THR 34 -4.304 -9.012 -5.096
248 H ILE 35 H ILE 35 -5.476 -9.806 -1.052
249 HA ILE 35 HA ILE 35 -6.888 -7.270 -0.607
250 HB ILE 35 HB ILE 35 -5.055 -8.718 1.301
251 1HG1 ILE 35 2HG1 ILE 35 -7.524 -9.027 2.362
252 2HG1 ILE 35 1HG1 ILE 35 -7.917 -9.091 0.648
253 1HG2 ILE 35 1HG2 ILE 35 -5.136 -6.633 2.191
254 2HG2 ILE 35 2HG2 ILE 35 -6.641 -7.257 2.865
255 3HG2 ILE 35 3HG2 ILE 35 -6.674 -6.245 1.421
256 1HD1 ILE 35 1HD1 ILE 35 -7.388 -11.238 0.716
257 2HD1 ILE 35 2HD1 ILE 35 -6.706 -11.084 2.336
258 3HD1 ILE 35 3HD1 ILE 35 -5.707 -10.746 0.921
259 H ILE 36 H ILE 36 -5.793 -5.327 -0.352
260 HA ILE 36 HA ILE 36 -2.896 -5.335 -0.765
261 HB ILE 36 HB ILE 36 -2.962 -3.711 -2.524
262 1HG1 ILE 36 2HG1 ILE 36 -5.956 -3.726 -2.098
263 2HG1 ILE 36 1HG1 ILE 36 -4.855 -2.366 -1.906
264 1HG2 ILE 36 1HG2 ILE 36 -5.037 -5.478 -3.622
265 2HG2 ILE 36 2HG2 ILE 36 -3.687 -6.300 -2.842
266 3HG2 ILE 36 3HG2 ILE 36 -3.387 -5.182 -4.170
267 1HD1 ILE 36 1HD1 ILE 36 -4.391 -2.544 -4.373
268 2HD1 ILE 36 2HD1 ILE 36 -6.016 -2.023 -3.927
269 3HD1 ILE 36 3HD1 ILE 36 -5.736 -3.681 -4.455
270 H GLU 37 H GLU 37 -1.928 -4.029 0.680
271 HA GLU 37 HA GLU 37 -3.506 -1.799 1.786
272 1HB GLU 37 2HB GLU 37 -1.555 -2.199 3.655
273 2HB GLU 37 1HB GLU 37 -3.192 -2.843 3.753
274 1HG GLU 37 2HG GLU 37 -2.492 -4.957 2.929
275 2HG GLU 37 1HG GLU 37 -0.896 -4.337 2.513
276 H ARG 38 H ARG 38 -2.007 -0.059 2.763
277 HA ARG 38 HA ARG 38 0.547 0.273 1.484
278 1HB ARG 38 2HB ARG 38 -0.385 2.580 0.535
279 2HB ARG 38 1HB ARG 38 -0.412 1.101 -0.413
280 1HG ARG 38 2HG ARG 38 -2.737 0.732 0.187
281 2HG ARG 38 1HG ARG 38 -2.718 2.178 1.198
282 1HD ARG 38 2HD ARG 38 -2.917 3.560 -0.563
283 2HD ARG 38 1HD ARG 38 -1.825 2.603 -1.563
284 HE ARG 38 HE ARG 38 -4.630 2.568 -1.669
285 1HH1 ARG 38 1HH1 ARG 38 -1.917 0.370 -1.717
286 2HH1 ARG 38 2HH1 ARG 38 -2.751 -0.833 -2.642
287 1HH2 ARG 38 1HH2 ARG 38 -5.722 0.988 -2.890
288 2HH2 ARG 38 2HH2 ARG 38 -4.908 -0.481 -3.311
289 H GLY 39 H GLY 39 1.242 2.733 1.843
290 1HA GLY 39 2HA GLY 39 0.183 4.221 3.951
291 2HA GLY 39 1HA GLY 39 1.336 3.092 4.646
292 H CYS 40 H CYS 40 3.024 4.346 5.190
293 HA CYS 40 HA CYS 40 4.334 5.830 3.020
294 1HB CYS 40 2HB CYS 40 3.221 6.918 5.477
295 2HB CYS 40 1HB CYS 40 4.944 7.268 5.331
296 H GLY 41 H GLY 41 6.456 5.436 2.837
297 1HA GLY 41 2HA GLY 41 8.609 5.205 4.051
298 2HA GLY 41 1HA GLY 41 7.780 4.044 5.087
299 H CYS 42 H CYS 42 9.579 2.631 4.478
300 HA CYS 42 HA CYS 42 8.808 0.917 2.306
301 1HB CYS 42 2HB CYS 42 10.138 2.607 1.100
302 2HB CYS 42 1HB CYS 42 11.501 2.297 2.179
303 HA PRO 43 HA PRO 43 11.109 -1.028 5.882
304 1HB PRO 43 2HB PRO 43 9.077 -2.289 7.092
305 2HB PRO 43 1HB PRO 43 9.416 -0.578 7.398
306 1HG PRO 43 2HG PRO 43 7.345 -1.815 5.623
307 2HG PRO 43 1HG PRO 43 7.195 -0.430 6.724
308 1HD PRO 43 2HD PRO 43 7.570 -0.211 4.009
309 2HD PRO 43 1HD PRO 43 8.042 1.035 5.185
310 H LYS 44 H LYS 44 10.562 -3.536 6.615
311 HA LYS 44 HA LYS 44 10.819 -5.014 4.113
312 1HB LYS 44 2HB LYS 44 11.748 -5.372 6.881
313 2HB LYS 44 1HB LYS 44 11.226 -6.855 6.094
314 1HG LYS 44 2HG LYS 44 12.955 -5.188 4.432
315 2HG LYS 44 1HG LYS 44 13.716 -5.756 5.918
316 1HD LYS 44 2HD LYS 44 13.916 -7.825 5.111
317 2HD LYS 44 1HD LYS 44 12.213 -7.872 4.649
318 1HE LYS 44 2HE LYS 44 13.022 -7.969 2.555
319 2HE LYS 44 1HE LYS 44 13.221 -6.227 2.744
320 1HZ LYS 44 1HZ LYS 44 15.499 -7.090 3.797
321 2HZ LYS 44 2HZ LYS 44 15.323 -6.719 2.156
322 3HZ LYS 44 3HZ LYS 44 15.228 -8.326 2.672
323 H VAL 45 H VAL 45 9.963 -7.447 4.501
324 HA VAL 45 HA VAL 45 7.314 -7.446 5.705
325 HB VAL 45 HB VAL 45 6.331 -8.414 3.574
326 1HG1 VAL 45 1HG1 VAL 45 5.656 -6.246 4.292
327 2HG1 VAL 45 2HG1 VAL 45 5.989 -6.143 2.562
328 3HG1 VAL 45 3HG1 VAL 45 7.162 -5.524 3.724
329 1HG2 VAL 45 1HG2 VAL 45 8.780 -7.125 2.371
330 2HG2 VAL 45 2HG2 VAL 45 7.402 -7.760 1.470
331 3HG2 VAL 45 3HG2 VAL 45 8.425 -8.851 2.405
332 H LYS 46 H LYS 46 6.326 -9.615 5.677
333 HA LYS 46 HA LYS 46 8.279 -11.598 6.260
334 1HB LYS 46 2HB LYS 46 5.338 -11.328 6.566
335 2HB LYS 46 1HB LYS 46 5.999 -12.955 6.532
336 1HG LYS 46 2HG LYS 46 7.370 -11.056 8.315
337 2HG LYS 46 1HG LYS 46 5.721 -11.494 8.768
338 1HD LYS 46 2HD LYS 46 6.308 -13.851 8.713
339 2HD LYS 46 1HD LYS 46 7.942 -13.452 8.180
340 1HE LYS 46 2HE LYS 46 7.022 -12.139 10.657
341 2HE LYS 46 1HE LYS 46 7.272 -13.882 10.751
342 1HZ LYS 46 1HZ LYS 46 9.487 -13.662 10.535
343 2HZ LYS 46 2HZ LYS 46 9.206 -12.096 11.111
344 3HZ LYS 46 3HZ LYS 46 9.381 -12.366 9.450
345 HA PRO 47 HA PRO 47 8.007 -13.939 2.535
346 1HB PRO 47 2HB PRO 47 7.959 -16.530 3.522
347 2HB PRO 47 1HB PRO 47 9.392 -15.542 3.321
348 1HG PRO 47 2HG PRO 47 8.146 -16.402 5.724
349 2HG PRO 47 1HG PRO 47 9.665 -15.534 5.521
350 1HD PRO 47 2HD PRO 47 7.085 -14.529 6.357
351 2HD PRO 47 1HD PRO 47 8.663 -13.717 6.356
352 H GLY 48 H GLY 48 6.279 -13.992 1.257
353 1HA GLY 48 2HA GLY 48 4.470 -15.607 0.580
354 2HA GLY 48 1HA GLY 48 3.865 -15.399 2.224
355 H VAL 49 H VAL 49 4.587 -12.511 2.165
356 HA VAL 49 HA VAL 49 2.245 -11.603 0.640
357 HB VAL 49 HB VAL 49 3.683 -10.178 2.884
358 1HG1 VAL 49 1HG1 VAL 49 1.496 -9.457 1.071
359 2HG1 VAL 49 2HG1 VAL 49 2.571 -8.430 2.019
360 3HG1 VAL 49 3HG1 VAL 49 1.160 -9.166 2.777
361 1HG2 VAL 49 1HG2 VAL 49 2.237 -12.444 3.191
362 2HG2 VAL 49 2HG2 VAL 49 0.970 -11.225 3.326
363 3HG2 VAL 49 3HG2 VAL 49 2.360 -11.175 4.410
364 H ASN 50 H ASN 50 2.403 -10.039 -0.897
365 HA ASN 50 HA ASN 50 5.087 -9.352 -1.785
366 1HB ASN 50 2HB ASN 50 2.609 -8.408 -3.180
367 2HB ASN 50 1HB ASN 50 4.174 -8.857 -3.862
368 1HD2 ASN 50 1HD2 ASN 50 1.024 -9.831 -3.296
369 2HD2 ASN 50 2HD2 ASN 50 1.203 -11.518 -3.666
370 H LEU 51 H LEU 51 5.773 -7.217 -2.198
371 HA LEU 51 HA LEU 51 4.214 -4.972 -1.328
372 1HB LEU 51 2HB LEU 51 4.948 -5.740 0.829
373 2HB LEU 51 1HB LEU 51 6.598 -5.913 0.262
374 HG LEU 51 HG LEU 51 6.425 -3.331 -0.158
375 1HD1 LEU 51 1HD1 LEU 51 4.897 -2.148 1.131
376 2HD1 LEU 51 2HD1 LEU 51 4.506 -3.550 2.128
377 3HD1 LEU 51 3HD1 LEU 51 3.937 -3.466 0.461
378 1HD2 LEU 51 1HD2 LEU 51 7.626 -4.860 1.690
379 2HD2 LEU 51 2HD2 LEU 51 6.553 -3.921 2.729
380 3HD2 LEU 51 3HD2 LEU 51 7.710 -3.098 1.683
381 H ASN 52 H ASN 52 5.124 -2.974 -1.991
382 HA ASN 52 HA ASN 52 7.764 -2.941 -3.166
383 1HB ASN 52 2HB ASN 52 7.241 -2.755 -5.393
384 2HB ASN 52 1HB ASN 52 5.954 -3.836 -4.875
385 1HD2 ASN 52 1HD2 ASN 52 4.052 -2.385 -3.864
386 2HD2 ASN 52 2HD2 ASN 52 3.493 -1.166 -4.952
387 H CYS 53 H CYS 53 8.681 -1.028 -2.834
388 HA CYS 53 HA CYS 53 7.081 1.184 -1.864
389 1HB CYS 53 2HB CYS 53 10.064 1.196 -2.249
390 2HB CYS 53 1HB CYS 53 9.094 2.107 -1.097
391 H CYS 54 H CYS 54 7.339 3.343 -2.690
392 HA CYS 54 HA CYS 54 8.533 3.788 -5.265
393 1HB CYS 54 2HB CYS 54 6.240 4.582 -6.201
394 2HB CYS 54 1HB CYS 54 6.645 2.866 -6.268
395 H ARG 55 H ARG 55 8.410 5.913 -5.972
396 HA ARG 55 HA ARG 55 7.848 7.808 -3.813
397 1HB ARG 55 2HB ARG 55 9.825 8.751 -5.655
398 2HB ARG 55 1HB ARG 55 9.959 8.466 -3.930
399 1HG ARG 55 2HG ARG 55 10.617 6.197 -4.293
400 2HG ARG 55 1HG ARG 55 10.307 6.344 -6.026
401 1HD ARG 55 2HD ARG 55 12.287 8.102 -4.610
402 2HD ARG 55 1HD ARG 55 12.733 6.512 -5.230
403 HE ARG 55 HE ARG 55 11.465 7.914 -7.276
404 1HH1 ARG 55 1HH1 ARG 55 14.405 8.084 -5.406
405 2HH1 ARG 55 2HH1 ARG 55 15.312 8.850 -6.667
406 1HH2 ARG 55 1HH2 ARG 55 12.656 8.923 -8.938
407 2HH2 ARG 55 2HH2 ARG 55 14.319 9.327 -8.673
408 H THR 56 H THR 56 5.935 7.118 -5.796
409 HA THR 56 HA THR 56 5.808 9.640 -7.316
410 HB THR 56 HB THR 56 4.148 7.648 -8.526
411 HG1 THR 56 1HG THR 56 5.650 6.177 -7.557
412 1HG2 THR 56 1HG2 THR 56 4.838 9.232 -10.007
413 2HG2 THR 56 2HG2 THR 56 5.993 7.947 -10.363
414 3HG2 THR 56 3HG2 THR 56 6.469 9.305 -9.344
415 H ASP 57 H ASP 57 3.766 10.621 -7.529
416 HA ASP 57 HA ASP 57 2.106 10.453 -5.265
417 1HB ASP 57 2HB ASP 57 2.057 11.913 -7.848
418 2HB ASP 57 1HB ASP 57 0.508 11.741 -7.018
419 H ARG 58 H ARG 58 0.528 9.084 -4.770
420 HA ARG 58 HA ARG 58 -1.074 7.476 -4.925
421 1HB ARG 58 2HB ARG 58 -1.383 8.599 -7.716
422 2HB ARG 58 1HB ARG 58 -2.506 7.475 -6.953
423 1HG ARG 58 2HG ARG 58 -2.779 9.211 -5.128
424 2HG ARG 58 1HG ARG 58 -1.927 10.323 -6.201
425 1HD ARG 58 2HD ARG 58 -4.138 8.835 -7.441
426 2HD ARG 58 1HD ARG 58 -4.617 9.963 -6.172
427 HE ARG 58 HE ARG 58 -2.814 11.086 -8.113
428 1HH1 ARG 58 1HH1 ARG 58 -6.156 10.449 -7.335
429 2HH1 ARG 58 2HH1 ARG 58 -6.764 11.715 -8.348
430 1HH2 ARG 58 1HH2 ARG 58 -3.611 12.751 -9.447
431 2HH2 ARG 58 2HH2 ARG 58 -5.319 13.022 -9.548
432 H CYS 59 H CYS 59 1.719 6.926 -5.698
433 HA CYS 59 HA CYS 59 1.818 5.159 -7.885
434 1HB CYS 59 2HB CYS 59 3.983 4.542 -7.065
435 2HB CYS 59 1HB CYS 59 3.778 6.270 -6.795
436 H ASN 60 H ASN 60 0.831 4.753 -4.572
437 HA ASN 60 HA ASN 60 0.733 1.837 -4.887
438 1HB ASN 60 2HB ASN 60 0.132 1.917 -2.413
439 2HB ASN 60 1HB ASN 60 1.764 2.440 -2.839
440 1HD2 ASN 60 1HD2 ASN 60 1.829 3.564 -0.848
441 2HD2 ASN 60 2HD2 ASN 60 1.043 5.103 -0.673
442 H ASN 61 H ASN 61 -1.149 3.836 -6.145
443 HA ASN 61 HA ASN 61 -3.646 3.680 -4.843
444 1HB ASN 61 2HB ASN 61 -4.563 4.441 -6.982
445 2HB ASN 61 1HB ASN 61 -3.134 5.368 -6.549
446 1HD2 ASN 61 1HD2 ASN 61 -4.124 5.264 -9.129
447 2HD2 ASN 61 2HD2 ASN 61 -2.983 4.426 -10.135
Start of MODEL 10
1 1H LEU 1 1HT LEU 1 4.577 13.025 2.423
2 2H LEU 1 2HT LEU 1 4.210 14.608 1.869
3 3H LEU 1 3HT LEU 1 5.718 13.886 1.476
4 HA LEU 1 HA LEU 1 4.511 13.676 -0.429
5 1HB LEU 1 2HB LEU 1 5.136 11.438 1.168
6 2HB LEU 1 1HB LEU 1 3.615 11.076 0.375
7 HG LEU 1 HG LEU 1 5.686 10.324 -0.819
8 1HD1 LEU 1 1HD1 LEU 1 4.866 10.823 -3.000
9 2HD1 LEU 1 2HD1 LEU 1 3.964 12.210 -2.385
10 3HD1 LEU 1 3HD1 LEU 1 3.498 10.575 -1.916
11 1HD2 LEU 1 1HD2 LEU 1 6.765 12.669 -0.293
12 2HD2 LEU 1 2HD2 LEU 1 6.037 13.079 -1.848
13 3HD2 LEU 1 3HD2 LEU 1 7.199 11.756 -1.739
14 H GLU 2 H GLU 2 2.482 11.991 -1.088
15 HA GLU 2 HA GLU 2 0.092 12.550 0.394
16 1HB GLU 2 2HB GLU 2 0.880 14.289 -1.826
17 2HB GLU 2 1HB GLU 2 -0.729 13.605 -2.018
18 1HG GLU 2 2HG GLU 2 -1.430 14.512 0.085
19 2HG GLU 2 1HG GLU 2 0.207 15.064 0.438
20 H CYS 3 H CYS 3 1.027 10.151 -0.119
21 HA CYS 3 HA CYS 3 0.067 9.071 -2.602
22 1HB CYS 3 2HB CYS 3 1.253 7.846 -0.116
23 2HB CYS 3 1HB CYS 3 0.696 6.879 -1.480
24 H HIS 4 H HIS 4 -1.184 6.837 -2.237
25 HA HIS 4 HA HIS 4 -3.769 7.620 -1.231
26 1HB HIS 4 2HB HIS 4 -2.781 5.104 -2.583
27 2HB HIS 4 1HB HIS 4 -4.458 5.354 -2.089
28 HD1 HIS 4 1HD HIS 4 -5.616 7.548 -3.244
29 HD2 HIS 4 2HD HIS 4 -2.222 6.004 -5.080
30 HE1 HIS 4 1HE HIS 4 -5.641 8.467 -5.583
31 HE2 HIS 4 2HE HIS 4 -3.648 7.416 -6.711
32 H ASN 5 H ASN 5 -4.979 5.552 -0.180
33 HA ASN 5 HA ASN 5 -3.512 4.024 1.697
34 1HB ASN 5 2HB ASN 5 -4.268 5.137 3.767
35 2HB ASN 5 1HB ASN 5 -3.212 6.180 2.811
36 1HD2 ASN 5 1HD2 ASN 5 -5.499 6.564 4.810
37 2HD2 ASN 5 2HD2 ASN 5 -6.502 7.756 4.044
38 H GLN 6 H GLN 6 -5.527 3.550 -0.211
39 HA GLN 6 HA GLN 6 -7.994 3.135 1.277
40 1HB GLN 6 2HB GLN 6 -8.813 2.231 -0.932
41 2HB GLN 6 1HB GLN 6 -8.319 3.919 -0.946
42 1HG GLN 6 2HG GLN 6 -6.539 3.535 -2.293
43 2HG GLN 6 1HG GLN 6 -6.272 1.909 -1.665
44 1HE2 GLN 6 1HE2 GLN 6 -6.681 3.221 -4.417
45 2HE2 GLN 6 2HE2 GLN 6 -7.814 2.160 -5.195
46 H GLN 7 H GLN 7 -8.734 1.211 1.993
47 HA GLN 7 HA GLN 7 -6.983 -1.120 1.604
48 1HB GLN 7 2HB GLN 7 -8.448 -1.847 3.729
49 2HB GLN 7 1HB GLN 7 -6.941 -0.958 3.870
50 1HG GLN 7 2HG GLN 7 -9.593 0.431 3.708
51 2HG GLN 7 1HG GLN 7 -8.930 -0.150 5.234
52 1HE2 GLN 7 1HE2 GLN 7 -6.514 0.500 5.476
53 2HE2 GLN 7 2HE2 GLN 7 -6.180 2.175 5.164
54 H SER 8 H SER 8 -7.870 -3.107 1.069
55 HA SER 8 HA SER 8 -9.322 -4.553 0.080
56 1HB SER 8 2HB SER 8 -11.675 -3.045 1.162
57 2HB SER 8 1HB SER 8 -11.417 -4.790 1.047
58 HG SER 8 HG SER 8 -9.745 -4.441 2.697
59 H SER 9 H SER 9 -11.958 -4.073 -0.931
60 HA SER 9 HA SER 9 -11.240 -2.493 -3.279
61 1HB SER 9 2HB SER 9 -12.922 -3.662 -4.449
62 2HB SER 9 1HB SER 9 -12.212 -4.872 -3.381
63 HG SER 9 HG SER 9 -14.404 -5.043 -3.167
64 H GLN 10 H GLN 10 -11.968 -1.227 -0.716
65 HA GLN 10 HA GLN 10 -14.604 -0.164 -0.953
66 1HB GLN 10 2HB GLN 10 -12.241 0.311 0.784
67 2HB GLN 10 1HB GLN 10 -13.438 1.602 0.681
68 1HG GLN 10 2HG GLN 10 -14.623 -1.017 1.084
69 2HG GLN 10 1HG GLN 10 -13.504 -0.560 2.370
70 1HE2 GLN 10 1HE2 GLN 10 -16.635 -0.407 1.358
71 2HE2 GLN 10 2HE2 GLN 10 -17.177 0.943 2.307
72 H ALA 11 H ALA 11 -14.572 2.462 -0.702
73 HA ALA 11 HA ALA 11 -13.926 3.383 -3.330
74 1HB ALA 11 1HB ALA 11 -15.921 4.066 -1.889
75 2HB ALA 11 2HB ALA 11 -15.090 5.341 -2.781
76 3HB ALA 11 3HB ALA 11 -14.794 5.137 -1.055
77 HA PRO 12 HA PRO 12 -9.598 4.331 -2.458
78 1HB PRO 12 2HB PRO 12 -10.305 6.122 -4.763
79 2HB PRO 12 1HB PRO 12 -8.828 5.185 -4.485
80 1HG PRO 12 2HG PRO 12 -10.651 4.231 -6.128
81 2HG PRO 12 1HG PRO 12 -9.879 3.152 -4.941
82 1HD PRO 12 2HD PRO 12 -12.624 4.330 -4.923
83 2HD PRO 12 1HD PRO 12 -12.065 2.745 -4.339
84 H THR 13 H THR 13 -8.359 6.260 -1.924
85 HA THR 13 HA THR 13 -9.806 8.725 -1.451
86 HB THR 13 HB THR 13 -8.681 8.482 1.014
87 HG1 THR 13 1HG THR 13 -9.749 5.929 0.412
88 1HG2 THR 13 1HG2 THR 13 -10.963 9.215 0.628
89 2HG2 THR 13 2HG2 THR 13 -10.893 7.989 1.895
90 3HG2 THR 13 3HG2 THR 13 -11.446 7.555 0.277
91 H THR 14 H THR 14 -8.349 10.438 -0.578
92 HA THR 14 HA THR 14 -5.513 9.930 -1.133
93 HB THR 14 HB THR 14 -5.346 12.006 -2.423
94 HG1 THR 14 1HG THR 14 -8.127 12.134 -1.938
95 1HG2 THR 14 1HG2 THR 14 -6.323 11.328 -4.446
96 2HG2 THR 14 2HG2 THR 14 -7.595 10.425 -3.622
97 3HG2 THR 14 3HG2 THR 14 -5.931 9.842 -3.581
98 H LYS 15 H LYS 15 -4.283 10.628 0.477
99 HA LYS 15 HA LYS 15 -4.968 13.072 1.899
100 1HB LYS 15 2HB LYS 15 -5.775 10.682 2.974
101 2HB LYS 15 1HB LYS 15 -4.208 10.911 3.739
102 1HG LYS 15 2HG LYS 15 -5.065 13.277 4.287
103 2HG LYS 15 1HG LYS 15 -6.659 12.615 3.919
104 1HD LYS 15 2HD LYS 15 -6.643 12.085 6.116
105 2HD LYS 15 1HD LYS 15 -5.713 10.694 5.556
106 1HE LYS 15 2HE LYS 15 -4.473 11.554 7.349
107 2HE LYS 15 1HE LYS 15 -3.647 12.149 5.909
108 1HZ LYS 15 1HZ LYS 15 -3.959 13.846 7.660
109 2HZ LYS 15 2HZ LYS 15 -5.633 13.722 7.456
110 3HZ LYS 15 3HZ LYS 15 -4.666 14.276 6.184
111 H THR 16 H THR 16 -3.185 13.472 3.646
112 HA THR 16 HA THR 16 -0.607 12.936 2.338
113 HB THR 16 HB THR 16 -1.204 15.303 2.501
114 HG1 THR 16 1HG THR 16 0.960 14.962 2.659
115 1HG2 THR 16 1HG2 THR 16 -0.972 16.233 4.944
116 2HG2 THR 16 2HG2 THR 16 -1.627 14.651 5.363
117 3HG2 THR 16 3HG2 THR 16 -2.532 15.727 4.299
118 H CYS 17 H CYS 17 1.186 12.291 3.547
119 HA CYS 17 HA CYS 17 0.540 10.728 5.887
120 1HB CYS 17 2HB CYS 17 2.974 11.054 4.161
121 2HB CYS 17 1HB CYS 17 3.105 10.265 5.735
122 H SER 18 H SER 18 2.394 10.776 7.650
123 HA SER 18 HA SER 18 2.160 13.304 8.942
124 1HB SER 18 2HB SER 18 3.987 12.049 10.466
125 2HB SER 18 1HB SER 18 2.264 11.684 10.550
126 HG SER 18 HG SER 18 3.323 9.757 10.302
127 H GLY 19 H GLY 19 4.639 11.733 7.044
128 1HA GLY 19 2HA GLY 19 6.000 13.762 6.043
129 2HA GLY 19 1HA GLY 19 6.590 13.809 7.703
130 H GLU 20 H GLU 20 5.844 11.033 5.616
131 HA GLU 20 HA GLU 20 8.384 9.832 6.301
132 1HB GLU 20 2HB GLU 20 5.843 8.946 5.119
133 2HB GLU 20 1HB GLU 20 7.268 8.171 4.428
134 1HG GLU 20 2HG GLU 20 7.392 8.264 7.317
135 2HG GLU 20 1HG GLU 20 5.935 7.452 6.747
136 H THR 21 H THR 21 9.202 8.483 4.135
137 HA THR 21 HA THR 21 10.029 10.630 2.316
138 HB THR 21 HB THR 21 11.305 7.940 2.832
139 HG1 THR 21 1HG THR 21 11.895 10.549 3.738
140 1HG2 THR 21 1HG2 THR 21 12.678 10.210 1.479
141 2HG2 THR 21 2HG2 THR 21 11.665 9.109 0.547
142 3HG2 THR 21 3HG2 THR 21 13.049 8.487 1.445
143 H ASN 22 H ASN 22 9.788 7.113 1.931
144 HA ASN 22 HA ASN 22 8.374 7.580 -0.611
145 1HB ASN 22 2HB ASN 22 9.602 4.929 -0.209
146 2HB ASN 22 1HB ASN 22 9.613 5.978 -1.628
147 1HD2 ASN 22 1HD2 ASN 22 11.357 4.809 1.019
148 2HD2 ASN 22 2HD2 ASN 22 12.769 5.805 0.841
149 H CYS 23 H CYS 23 6.560 6.368 -1.108
150 HA CYS 23 HA CYS 23 5.176 5.212 1.157
151 1HB CYS 23 2HB CYS 23 4.136 5.492 -1.656
152 2HB CYS 23 1HB CYS 23 3.224 5.392 -0.158
153 H TYR 24 H TYR 24 3.527 3.398 -0.094
154 HA TYR 24 HA TYR 24 5.051 1.523 -1.624
155 1HB TYR 24 2HB TYR 24 4.915 -0.324 0.029
156 2HB TYR 24 1HB TYR 24 5.994 0.979 0.522
157 HD1 TYR 24 1HD TYR 24 5.693 2.052 2.591
158 HD2 TYR 24 2HD TYR 24 2.573 -0.378 1.023
159 HE1 TYR 24 1HE TYR 24 4.487 2.235 4.726
160 HE2 TYR 24 2HE TYR 24 1.356 -0.200 3.153
161 HH TYR 24 HH TYR 24 2.491 0.458 5.869
162 H LYS 25 H LYS 25 3.848 -0.556 -1.869
163 HA LYS 25 HA LYS 25 0.985 -0.422 -1.474
164 1HB LYS 25 2HB LYS 25 1.856 0.679 -3.786
165 2HB LYS 25 1HB LYS 25 1.730 -1.003 -4.286
166 1HG LYS 25 2HG LYS 25 -0.578 0.089 -2.812
167 2HG LYS 25 1HG LYS 25 -0.294 0.742 -4.427
168 1HD LYS 25 2HD LYS 25 -0.018 -2.141 -4.379
169 2HD LYS 25 1HD LYS 25 -1.600 -1.631 -3.787
170 1HE LYS 25 2HE LYS 25 -2.160 -0.605 -5.792
171 2HE LYS 25 1HE LYS 25 -0.478 -0.454 -6.298
172 1HZ LYS 25 1HZ LYS 25 -1.746 -2.176 -7.514
173 2HZ LYS 25 2HZ LYS 25 -1.916 -3.040 -6.070
174 3HZ LYS 25 3HZ LYS 25 -0.378 -2.786 -6.725
175 H LYS 26 H LYS 26 0.479 -2.361 -0.746
176 HA LYS 26 HA LYS 26 2.006 -4.669 -1.749
177 1HB LYS 26 2HB LYS 26 0.986 -5.531 0.634
178 2HB LYS 26 1HB LYS 26 2.603 -4.897 0.399
179 1HG LYS 26 2HG LYS 26 1.990 -2.759 1.204
180 2HG LYS 26 1HG LYS 26 0.272 -3.159 1.146
181 1HD LYS 26 2HD LYS 26 0.657 -4.878 2.884
182 2HD LYS 26 1HD LYS 26 2.342 -4.368 2.979
183 1HE LYS 26 2HE LYS 26 1.624 -2.125 3.641
184 2HE LYS 26 1HE LYS 26 -0.062 -2.633 3.542
185 1HZ LYS 26 1HZ LYS 26 0.403 -2.848 5.772
186 2HZ LYS 26 2HZ LYS 26 1.986 -3.387 5.518
187 3HZ LYS 26 3HZ LYS 26 0.682 -4.423 5.222
188 H TRP 27 H TRP 27 0.933 -6.660 -1.949
189 HA TRP 27 HA TRP 27 -1.906 -6.832 -1.594
190 1HB TRP 27 2HB TRP 27 -2.417 -7.344 -3.976
191 2HB TRP 27 1HB TRP 27 -1.990 -5.679 -3.695
192 HD1 TRP 27 HD TRP 27 -1.028 -8.666 -5.600
193 HE1 TRP 27 1HE TRP 27 0.931 -8.127 -7.160
194 HE3 TRP 27 3HE TRP 27 0.208 -4.066 -3.779
195 HZ2 TRP 27 2HZ TRP 27 2.772 -6.027 -7.580
196 HZ3 TRP 27 3HZ TRP 27 2.077 -2.853 -4.820
197 HH2 TRP 27 HH TRP 27 3.331 -3.813 -6.679
198 H TRP 28 H TRP 28 -2.768 -8.925 -2.301
199 HA TRP 28 HA TRP 28 -0.902 -11.044 -2.873
200 1HB TRP 28 2HB TRP 28 -1.443 -12.306 -0.770
201 2HB TRP 28 1HB TRP 28 -0.467 -10.864 -0.511
202 HD1 TRP 28 HD TRP 28 -3.913 -12.277 0.146
203 HE1 TRP 28 1HE TRP 28 -5.085 -10.772 1.834
204 HE3 TRP 28 3HE TRP 28 -0.540 -8.443 0.348
205 HZ2 TRP 28 2HZ TRP 28 -4.679 -8.296 3.121
206 HZ3 TRP 28 3HZ TRP 28 -1.010 -6.540 1.837
207 HH2 TRP 28 HH TRP 28 -3.041 -6.471 3.193
208 H SER 29 H SER 29 -2.118 -13.238 -2.528
209 HA SER 29 HA SER 29 -4.981 -13.039 -2.997
210 1HB SER 29 2HB SER 29 -3.436 -12.983 -5.208
211 2HB SER 29 1HB SER 29 -3.557 -14.732 -4.980
212 HG SER 29 HG SER 29 -5.333 -13.161 -6.079
213 H ASP 30 H ASP 30 -4.941 -14.105 -0.927
214 HA ASP 30 HA ASP 30 -4.076 -16.915 -1.029
215 1HB ASP 30 2HB ASP 30 -3.462 -15.051 0.843
216 2HB ASP 30 1HB ASP 30 -4.901 -15.768 1.568
217 H HIS 31 H HIS 31 -5.614 -17.827 1.141
218 HA HIS 31 HA HIS 31 -7.925 -18.716 -0.094
219 1HB HIS 31 2HB HIS 31 -8.687 -19.374 2.175
220 2HB HIS 31 1HB HIS 31 -7.018 -19.836 1.855
221 HD1 HIS 31 1HD HIS 31 -5.157 -18.318 3.024
222 HD2 HIS 31 2HD HIS 31 -9.052 -17.762 4.361
223 HE1 HIS 31 1HE HIS 31 -4.949 -17.094 5.210
224 HE2 HIS 31 2HE HIS 31 -7.314 -16.844 6.042
225 H ARG 32 H ARG 32 -7.530 -16.008 2.165
226 HA ARG 32 HA ARG 32 -10.217 -15.267 2.354
227 1HB ARG 32 2HB ARG 32 -7.609 -13.900 2.789
228 2HB ARG 32 1HB ARG 32 -9.047 -12.888 2.667
229 1HG ARG 32 2HG ARG 32 -10.074 -14.052 4.512
230 2HG ARG 32 1HG ARG 32 -8.721 -15.183 4.590
231 1HD ARG 32 2HD ARG 32 -7.284 -13.047 4.904
232 2HD ARG 32 1HD ARG 32 -8.814 -12.285 5.335
233 HE ARG 32 HE ARG 32 -8.547 -14.646 6.816
234 1HH1 ARG 32 1HH1 ARG 32 -7.080 -11.489 6.565
235 2HH1 ARG 32 2HH1 ARG 32 -6.598 -11.444 8.227
236 1HH2 ARG 32 1HH2 ARG 32 -7.912 -14.588 9.003
237 2HH2 ARG 32 2HH2 ARG 32 -7.069 -13.202 9.611
238 H GLY 33 H GLY 33 -7.914 -14.828 -0.195
239 1HA GLY 33 2HA GLY 33 -8.991 -14.462 -2.409
240 2HA GLY 33 1HA GLY 33 -9.876 -13.149 -1.636
241 H THR 34 H THR 34 -9.076 -11.664 -3.163
242 HA THR 34 HA THR 34 -6.193 -11.126 -3.048
243 HB THR 34 HB THR 34 -8.142 -9.829 -4.942
244 HG1 THR 34 1HG THR 34 -6.918 -12.366 -5.134
245 1HG2 THR 34 1HG2 THR 34 -5.822 -10.307 -6.293
246 2HG2 THR 34 2HG2 THR 34 -5.243 -9.917 -4.674
247 3HG2 THR 34 3HG2 THR 34 -6.274 -8.778 -5.540
248 H ILE 35 H ILE 35 -5.418 -9.371 -2.044
249 HA ILE 35 HA ILE 35 -7.231 -7.137 -1.470
250 HB ILE 35 HB ILE 35 -5.447 -8.298 0.662
251 1HG1 ILE 35 2HG1 ILE 35 -8.441 -8.609 0.362
252 2HG1 ILE 35 1HG1 ILE 35 -7.261 -9.881 0.067
253 1HG2 ILE 35 1HG2 ILE 35 -7.622 -6.213 0.719
254 2HG2 ILE 35 2HG2 ILE 35 -5.893 -5.948 0.943
255 3HG2 ILE 35 3HG2 ILE 35 -6.808 -6.860 2.144
256 1HD1 ILE 35 1HD1 ILE 35 -7.757 -10.437 2.182
257 2HD1 ILE 35 2HD1 ILE 35 -8.304 -8.813 2.597
258 3HD1 ILE 35 3HD1 ILE 35 -6.580 -9.182 2.569
259 H ILE 36 H ILE 36 -6.169 -5.145 -0.985
260 HA ILE 36 HA ILE 36 -3.284 -5.053 -1.474
261 HB ILE 36 HB ILE 36 -3.487 -3.261 -3.103
262 1HG1 ILE 36 2HG1 ILE 36 -6.468 -3.684 -2.789
263 2HG1 ILE 36 1HG1 ILE 36 -5.562 -2.231 -2.383
264 1HG2 ILE 36 1HG2 ILE 36 -3.975 -5.917 -3.566
265 2HG2 ILE 36 2HG2 ILE 36 -3.645 -4.705 -4.802
266 3HG2 ILE 36 3HG2 ILE 36 -5.310 -5.130 -4.405
267 1HD1 ILE 36 1HD1 ILE 36 -6.634 -3.119 -4.937
268 2HD1 ILE 36 2HD1 ILE 36 -4.958 -2.576 -5.025
269 3HD1 ILE 36 3HD1 ILE 36 -6.200 -1.501 -4.383
270 H GLU 37 H GLU 37 -2.285 -3.699 -0.078
271 HA GLU 37 HA GLU 37 -3.911 -1.586 1.177
272 1HB GLU 37 2HB GLU 37 -1.960 -2.060 3.029
273 2HB GLU 37 1HB GLU 37 -3.595 -2.716 3.095
274 1HG GLU 37 2HG GLU 37 -2.879 -4.783 2.168
275 2HG GLU 37 1HG GLU 37 -1.283 -4.136 1.796
276 H ARG 38 H ARG 38 -2.597 0.222 2.069
277 HA ARG 38 HA ARG 38 -0.072 0.643 0.635
278 1HB ARG 38 2HB ARG 38 -2.306 2.675 0.715
279 2HB ARG 38 1HB ARG 38 -0.741 2.876 -0.057
280 1HG ARG 38 2HG ARG 38 -1.549 2.033 -1.932
281 2HG ARG 38 1HG ARG 38 -1.930 0.524 -1.102
282 1HD ARG 38 2HD ARG 38 -4.117 1.167 -0.668
283 2HD ARG 38 1HD ARG 38 -3.753 2.882 -0.853
284 HE ARG 38 HE ARG 38 -4.224 2.681 -3.072
285 1HH1 ARG 38 1HH1 ARG 38 -3.498 -0.494 -1.817
286 2HH1 ARG 38 2HH1 ARG 38 -3.880 -1.302 -3.299
287 1HH2 ARG 38 1HH2 ARG 38 -4.728 1.618 -5.021
288 2HH2 ARG 38 2HH2 ARG 38 -4.578 -0.104 -5.118
289 H GLY 39 H GLY 39 0.636 3.091 1.372
290 1HA GLY 39 2HA GLY 39 0.137 4.188 3.790
291 2HA GLY 39 1HA GLY 39 1.118 2.791 4.208
292 H CYS 40 H CYS 40 2.625 4.400 5.054
293 HA CYS 40 HA CYS 40 4.297 5.535 2.910
294 1HB CYS 40 2HB CYS 40 3.210 6.763 5.352
295 2HB CYS 40 1HB CYS 40 4.933 7.047 5.100
296 H GLY 41 H GLY 41 6.307 4.777 2.826
297 1HA GLY 41 2HA GLY 41 8.327 4.482 4.381
298 2HA GLY 41 1HA GLY 41 7.310 3.266 5.150
299 H CYS 42 H CYS 42 9.024 1.758 4.661
300 HA CYS 42 HA CYS 42 8.552 0.402 2.174
301 1HB CYS 42 2HB CYS 42 10.249 2.174 1.586
302 2HB CYS 42 1HB CYS 42 11.367 1.374 2.695
303 HA PRO 43 HA PRO 43 10.024 -2.158 5.812
304 1HB PRO 43 2HB PRO 43 7.712 -3.300 6.540
305 2HB PRO 43 1HB PRO 43 8.159 -1.679 7.100
306 1HG PRO 43 2HG PRO 43 6.294 -2.479 4.897
307 2HG PRO 43 1HG PRO 43 6.100 -1.211 6.126
308 1HD PRO 43 2HD PRO 43 6.929 -0.746 3.545
309 2HD PRO 43 1HD PRO 43 7.322 0.304 4.923
310 H LYS 44 H LYS 44 9.531 -4.617 6.122
311 HA LYS 44 HA LYS 44 9.558 -5.827 3.446
312 1HB LYS 44 2HB LYS 44 10.861 -6.485 6.041
313 2HB LYS 44 1HB LYS 44 10.437 -7.825 4.985
314 1HG LYS 44 2HG LYS 44 12.086 -7.373 3.548
315 2HG LYS 44 1HG LYS 44 11.805 -5.633 3.620
316 1HD LYS 44 2HD LYS 44 13.194 -7.212 5.781
317 2HD LYS 44 1HD LYS 44 14.035 -6.359 4.486
318 1HE LYS 44 2HE LYS 44 13.464 -4.279 5.302
319 2HE LYS 44 1HE LYS 44 12.053 -4.890 6.166
320 1HZ LYS 44 1HZ LYS 44 13.583 -5.992 7.724
321 2HZ LYS 44 2HZ LYS 44 13.765 -4.311 7.724
322 3HZ LYS 44 3HZ LYS 44 14.897 -5.284 6.927
323 H VAL 45 H VAL 45 8.928 -8.366 3.804
324 HA VAL 45 HA VAL 45 6.542 -8.644 5.424
325 HB VAL 45 HB VAL 45 5.206 -9.436 3.413
326 1HG1 VAL 45 1HG1 VAL 45 5.661 -6.541 3.034
327 2HG1 VAL 45 2HG1 VAL 45 5.256 -7.072 4.666
328 3HG1 VAL 45 3HG1 VAL 45 4.166 -7.428 3.326
329 1HG2 VAL 45 1HG2 VAL 45 7.101 -9.578 1.851
330 2HG2 VAL 45 2HG2 VAL 45 7.274 -7.825 1.919
331 3HG2 VAL 45 3HG2 VAL 45 5.813 -8.540 1.238
332 H LYS 46 H LYS 46 5.497 -10.890 4.842
333 HA LYS 46 HA LYS 46 7.557 -12.818 5.204
334 1HB LYS 46 2HB LYS 46 4.589 -12.795 5.347
335 2HB LYS 46 1HB LYS 46 5.380 -14.346 5.114
336 1HG LYS 46 2HG LYS 46 6.595 -12.766 7.232
337 2HG LYS 46 1HG LYS 46 4.892 -13.121 7.521
338 1HD LYS 46 2HD LYS 46 6.733 -15.302 6.631
339 2HD LYS 46 1HD LYS 46 6.733 -14.792 8.320
340 1HE LYS 46 2HE LYS 46 5.062 -16.261 8.570
341 2HE LYS 46 1HE LYS 46 4.062 -15.034 7.793
342 1HZ LYS 46 1HZ LYS 46 5.526 -16.869 6.056
343 2HZ LYS 46 2HZ LYS 46 3.992 -16.184 5.857
344 3HZ LYS 46 3HZ LYS 46 4.201 -17.498 6.901
345 HA PRO 47 HA PRO 47 7.667 -14.494 1.130
346 1HB PRO 47 2HB PRO 47 7.624 -17.229 1.643
347 2HB PRO 47 1HB PRO 47 9.038 -16.195 1.692
348 1HG PRO 47 2HG PRO 47 7.710 -17.482 3.840
349 2HG PRO 47 1HG PRO 47 9.198 -16.541 3.874
350 1HD PRO 47 2HD PRO 47 6.540 -15.785 4.724
351 2HD PRO 47 1HD PRO 47 8.079 -14.931 4.947
352 H GLY 48 H GLY 48 5.470 -13.693 0.689
353 1HA GLY 48 2HA GLY 48 3.907 -15.477 -0.711
354 2HA GLY 48 1HA GLY 48 3.214 -15.433 0.909
355 H VAL 49 H VAL 49 3.918 -12.643 1.341
356 HA VAL 49 HA VAL 49 1.712 -11.448 -0.157
357 HB VAL 49 HB VAL 49 3.251 -10.297 2.175
358 1HG1 VAL 49 1HG1 VAL 49 0.618 -9.295 2.014
359 2HG1 VAL 49 2HG1 VAL 49 1.311 -9.186 0.396
360 3HG1 VAL 49 3HG1 VAL 49 2.132 -8.426 1.760
361 1HG2 VAL 49 1HG2 VAL 49 0.834 -12.058 2.053
362 2HG2 VAL 49 2HG2 VAL 49 1.033 -10.904 3.372
363 3HG2 VAL 49 3HG2 VAL 49 2.241 -12.162 3.110
364 H ASN 50 H ASN 50 1.941 -9.741 -1.539
365 HA ASN 50 HA ASN 50 4.666 -9.124 -2.371
366 1HB ASN 50 2HB ASN 50 2.210 -8.040 -3.715
367 2HB ASN 50 1HB ASN 50 3.790 -8.401 -4.413
368 1HD2 ASN 50 1HD2 ASN 50 0.657 -9.439 -4.096
369 2HD2 ASN 50 2HD2 ASN 50 0.868 -11.097 -4.569
370 H LEU 51 H LEU 51 5.412 -6.990 -2.664
371 HA LEU 51 HA LEU 51 3.935 -4.767 -1.585
372 1HB LEU 51 2HB LEU 51 5.024 -6.034 0.357
373 2HB LEU 51 1HB LEU 51 6.556 -5.486 -0.293
374 HG LEU 51 HG LEU 51 4.890 -3.203 -0.065
375 1HD1 LEU 51 1HD1 LEU 51 4.009 -5.102 1.727
376 2HD1 LEU 51 2HD1 LEU 51 3.761 -3.360 1.846
377 3HD1 LEU 51 3HD1 LEU 51 5.119 -4.116 2.680
378 1HD2 LEU 51 1HD2 LEU 51 7.454 -4.216 0.961
379 2HD2 LEU 51 2HD2 LEU 51 6.689 -2.963 1.939
380 3HD2 LEU 51 3HD2 LEU 51 7.053 -2.657 0.241
381 H ASN 52 H ASN 52 4.917 -2.727 -2.097
382 HA ASN 52 HA ASN 52 7.476 -2.685 -3.411
383 1HB ASN 52 2HB ASN 52 6.889 -2.488 -5.587
384 2HB ASN 52 1HB ASN 52 5.450 -3.352 -5.067
385 1HD2 ASN 52 1HD2 ASN 52 3.692 -1.828 -4.203
386 2HD2 ASN 52 2HD2 ASN 52 3.378 -0.431 -5.171
387 H CYS 53 H CYS 53 8.446 -0.916 -2.754
388 HA CYS 53 HA CYS 53 6.944 1.340 -1.721
389 1HB CYS 53 2HB CYS 53 9.932 1.285 -1.939
390 2HB CYS 53 1HB CYS 53 8.911 1.992 -0.692
391 H CYS 54 H CYS 54 7.308 3.513 -2.415
392 HA CYS 54 HA CYS 54 8.702 4.011 -4.895
393 1HB CYS 54 2HB CYS 54 6.510 5.050 -5.852
394 2HB CYS 54 1HB CYS 54 6.793 3.317 -6.024
395 H ARG 55 H ARG 55 8.750 6.194 -5.493
396 HA ARG 55 HA ARG 55 8.314 7.979 -3.215
397 1HB ARG 55 2HB ARG 55 10.364 8.865 -5.021
398 2HB ARG 55 1HB ARG 55 10.464 8.505 -3.307
399 1HG ARG 55 2HG ARG 55 10.662 6.071 -3.982
400 2HG ARG 55 1HG ARG 55 10.932 6.671 -5.625
401 1HD ARG 55 2HD ARG 55 13.022 7.328 -5.158
402 2HD ARG 55 1HD ARG 55 12.557 8.019 -3.605
403 HE ARG 55 HE ARG 55 12.482 5.363 -3.131
404 1HH1 ARG 55 1HH1 ARG 55 14.906 7.457 -4.517
405 2HH1 ARG 55 2HH1 ARG 55 16.234 6.492 -3.966
406 1HH2 ARG 55 1HH2 ARG 55 14.228 4.092 -2.406
407 2HH2 ARG 55 2HH2 ARG 55 15.849 4.583 -2.768
408 H THR 56 H THR 56 6.319 7.622 -5.185
409 HA THR 56 HA THR 56 6.365 10.286 -6.429
410 HB THR 56 HB THR 56 4.876 8.174 -7.872
411 HG1 THR 56 1HG THR 56 6.798 7.449 -8.885
412 1HG2 THR 56 1HG2 THR 56 4.827 10.058 -9.123
413 2HG2 THR 56 2HG2 THR 56 6.315 9.350 -9.750
414 3HG2 THR 56 3HG2 THR 56 6.389 10.627 -8.536
415 H ASP 57 H ASP 57 4.326 11.299 -6.668
416 HA ASP 57 HA ASP 57 2.529 10.829 -4.546
417 1HB ASP 57 2HB ASP 57 2.598 12.638 -6.918
418 2HB ASP 57 1HB ASP 57 1.056 12.423 -6.087
419 H ARG 58 H ARG 58 0.805 9.532 -4.387
420 HA ARG 58 HA ARG 58 -0.793 7.995 -4.907
421 1HB ARG 58 2HB ARG 58 -0.764 9.559 -7.492
422 2HB ARG 58 1HB ARG 58 -1.921 8.271 -7.153
423 1HG ARG 58 2HG ARG 58 -2.620 9.560 -5.124
424 2HG ARG 58 1HG ARG 58 -1.606 10.885 -5.700
425 1HD ARG 58 2HD ARG 58 -3.341 9.897 -7.793
426 2HD ARG 58 1HD ARG 58 -4.264 10.383 -6.372
427 HE ARG 58 HE ARG 58 -2.360 12.365 -6.998
428 1HH1 ARG 58 1HH1 ARG 58 -5.373 11.036 -8.156
429 2HH1 ARG 58 2HH1 ARG 58 -5.879 12.512 -8.908
430 1HH2 ARG 58 1HH2 ARG 58 -3.025 14.307 -7.987
431 2HH2 ARG 58 2HH2 ARG 58 -4.545 14.368 -8.812
432 H CYS 59 H CYS 59 2.053 7.465 -5.434
433 HA CYS 59 HA CYS 59 2.352 5.959 -7.801
434 1HB CYS 59 2HB CYS 59 4.427 5.209 -6.833
435 2HB CYS 59 1HB CYS 59 4.218 6.922 -6.478
436 H ASN 60 H ASN 60 1.156 5.192 -4.610
437 HA ASN 60 HA ASN 60 1.088 2.329 -5.226
438 1HB ASN 60 2HB ASN 60 0.243 2.167 -2.833
439 2HB ASN 60 1HB ASN 60 1.894 2.763 -3.033
440 1HD2 ASN 60 1HD2 ASN 60 1.413 3.511 -0.809
441 2HD2 ASN 60 2HD2 ASN 60 0.687 5.079 -0.627
442 H ASN 61 H ASN 61 -0.628 4.205 -6.651
443 HA ASN 61 HA ASN 61 -3.257 4.172 -5.656
444 1HB ASN 61 2HB ASN 61 -3.905 4.812 -7.912
445 2HB ASN 61 1HB ASN 61 -2.466 5.696 -7.431
446 1HD2 ASN 61 1HD2 ASN 61 -0.648 5.499 -8.598
447 2HD2 ASN 61 2HD2 ASN 61 -0.485 4.486 -9.998
Start of MODEL 11
1 1H LEU 1 1HT LEU 1 4.960 15.980 -2.423
2 2H LEU 1 2HT LEU 1 4.962 14.815 -1.162
3 3H LEU 1 3HT LEU 1 3.807 16.085 -1.160
4 HA LEU 1 HA LEU 1 3.015 15.190 -3.315
5 1HB LEU 1 2HB LEU 1 3.583 12.914 -3.832
6 2HB LEU 1 1HB LEU 1 5.057 13.858 -3.709
7 HG LEU 1 HG LEU 1 4.270 12.581 -1.203
8 1HD1 LEU 1 1HD1 LEU 1 5.136 10.835 -3.503
9 2HD1 LEU 1 2HD1 LEU 1 3.511 10.872 -2.818
10 3HD1 LEU 1 3HD1 LEU 1 4.870 10.331 -1.833
11 1HD2 LEU 1 1HD2 LEU 1 6.502 13.727 -2.144
12 2HD2 LEU 1 2HD2 LEU 1 6.854 12.039 -2.517
13 3HD2 LEU 1 3HD2 LEU 1 6.500 12.520 -0.858
14 H GLU 2 H GLU 2 1.591 12.997 -3.185
15 HA GLU 2 HA GLU 2 0.618 12.592 -0.466
16 1HB GLU 2 2HB GLU 2 -0.855 14.007 -2.620
17 2HB GLU 2 1HB GLU 2 -1.773 12.853 -1.663
18 1HG GLU 2 2HG GLU 2 -1.106 14.032 0.380
19 2HG GLU 2 1HG GLU 2 -0.219 15.201 -0.598
20 H CYS 3 H CYS 3 0.851 10.445 -0.328
21 HA CYS 3 HA CYS 3 0.446 8.713 -2.580
22 1HB CYS 3 2HB CYS 3 0.810 7.898 0.303
23 2HB CYS 3 1HB CYS 3 1.185 6.969 -1.146
24 H HIS 4 H HIS 4 -0.721 6.488 -1.409
25 HA HIS 4 HA HIS 4 -3.462 7.418 -0.860
26 1HB HIS 4 2HB HIS 4 -2.474 5.186 -2.620
27 2HB HIS 4 1HB HIS 4 -4.114 5.177 -1.968
28 HD1 HIS 4 1HD HIS 4 -5.259 7.789 -2.438
29 HD2 HIS 4 2HD HIS 4 -2.511 6.187 -5.114
30 HE1 HIS 4 1HE HIS 4 -5.645 9.005 -4.604
31 HE2 HIS 4 2HE HIS 4 -4.059 7.930 -6.239
32 H ASN 5 H ASN 5 -4.814 5.802 0.282
33 HA ASN 5 HA ASN 5 -3.448 3.779 1.827
34 1HB ASN 5 2HB ASN 5 -4.056 4.717 4.014
35 2HB ASN 5 1HB ASN 5 -2.971 5.804 3.139
36 1HD2 ASN 5 1HD2 ASN 5 -5.704 5.648 4.955
37 2HD2 ASN 5 2HD2 ASN 5 -6.455 7.139 4.474
38 H GLN 6 H GLN 6 -5.344 3.331 0.000
39 HA GLN 6 HA GLN 6 -7.798 2.867 1.565
40 1HB GLN 6 2HB GLN 6 -8.949 2.764 -0.673
41 2HB GLN 6 1HB GLN 6 -8.331 4.347 -0.221
42 1HG GLN 6 2HG GLN 6 -6.998 4.443 -1.992
43 2HG GLN 6 1HG GLN 6 -6.386 2.812 -1.719
44 1HE2 GLN 6 1HE2 GLN 6 -6.815 3.803 -4.252
45 2HE2 GLN 6 2HE2 GLN 6 -8.134 2.945 -4.986
46 H GLN 7 H GLN 7 -7.713 0.827 2.278
47 HA GLN 7 HA GLN 7 -6.485 -1.281 0.756
48 1HB GLN 7 2HB GLN 7 -7.391 -2.693 2.669
49 2HB GLN 7 1HB GLN 7 -6.218 -1.461 3.097
50 1HG GLN 7 2HG GLN 7 -7.794 -0.137 4.137
51 2HG GLN 7 1HG GLN 7 -9.137 -0.861 3.253
52 1HE2 GLN 7 1HE2 GLN 7 -10.366 -2.164 4.386
53 2HE2 GLN 7 2HE2 GLN 7 -9.885 -3.071 5.786
54 H SER 8 H SER 8 -8.061 -3.460 1.029
55 HA SER 8 HA SER 8 -9.818 -3.338 -1.089
56 1HB SER 8 2HB SER 8 -10.789 -5.440 -0.258
57 2HB SER 8 1HB SER 8 -9.022 -5.462 -0.170
58 HG SER 8 HG SER 8 -9.910 -6.242 1.757
59 H SER 9 H SER 9 -11.539 -2.137 -1.344
60 HA SER 9 HA SER 9 -13.948 -2.242 -0.234
61 1HB SER 9 2HB SER 9 -12.145 -0.777 1.625
62 2HB SER 9 1HB SER 9 -13.742 -0.081 1.358
63 HG SER 9 HG SER 9 -14.510 -1.565 2.612
64 H GLN 10 H GLN 10 -14.931 -1.327 -1.909
65 HA GLN 10 HA GLN 10 -14.001 0.456 -3.722
66 1HB GLN 10 2HB GLN 10 -16.863 0.610 -2.802
67 2HB GLN 10 1HB GLN 10 -16.217 0.832 -4.422
68 1HG GLN 10 2HG GLN 10 -16.806 -1.252 -4.822
69 2HG GLN 10 1HG GLN 10 -15.480 -1.747 -3.765
70 1HE2 GLN 10 1HE2 GLN 10 -16.692 -0.740 -1.351
71 2HE2 GLN 10 2HE2 GLN 10 -18.004 -1.807 -0.966
72 H ALA 11 H ALA 11 -14.619 2.744 -4.132
73 HA ALA 11 HA ALA 11 -14.750 4.955 -3.573
74 1HB ALA 11 1HB ALA 11 -15.186 4.483 -0.683
75 2HB ALA 11 2HB ALA 11 -16.427 3.889 -1.786
76 3HB ALA 11 3HB ALA 11 -15.992 5.598 -1.787
77 HA PRO 12 HA PRO 12 -10.284 4.168 -2.230
78 1HB PRO 12 2HB PRO 12 -10.242 6.382 -4.254
79 2HB PRO 12 1HB PRO 12 -9.060 5.093 -3.975
80 1HG PRO 12 2HG PRO 12 -10.746 4.842 -5.973
81 2HG PRO 12 1HG PRO 12 -10.445 3.454 -4.900
82 1HD PRO 12 2HD PRO 12 -12.803 5.297 -4.993
83 2HD PRO 12 1HD PRO 12 -12.752 3.539 -4.715
84 H THR 13 H THR 13 -8.693 5.924 -1.540
85 HA THR 13 HA THR 13 -9.888 8.399 -0.617
86 HB THR 13 HB THR 13 -10.449 6.819 1.181
87 HG1 THR 13 1HG THR 13 -8.347 8.524 2.011
88 1HG2 THR 13 1HG2 THR 13 -8.213 6.270 2.574
89 2HG2 THR 13 2HG2 THR 13 -7.626 6.071 0.923
90 3HG2 THR 13 3HG2 THR 13 -9.009 5.133 1.485
91 H THR 14 H THR 14 -8.251 9.830 0.415
92 HA THR 14 HA THR 14 -5.503 9.175 -0.393
93 HB THR 14 HB THR 14 -5.172 11.325 -1.385
94 HG1 THR 14 1HG THR 14 -7.764 11.914 -0.416
95 1HG2 THR 14 1HG2 THR 14 -7.751 11.093 -2.647
96 2HG2 THR 14 2HG2 THR 14 -6.969 9.522 -2.478
97 3HG2 THR 14 3HG2 THR 14 -6.139 10.835 -3.313
98 H LYS 15 H LYS 15 -3.855 10.217 0.789
99 HA LYS 15 HA LYS 15 -4.494 11.996 2.953
100 1HB LYS 15 2HB LYS 15 -4.875 9.391 3.572
101 2HB LYS 15 1HB LYS 15 -3.169 9.552 3.965
102 1HG LYS 15 2HG LYS 15 -3.942 10.200 5.963
103 2HG LYS 15 1HG LYS 15 -4.166 11.759 5.166
104 1HD LYS 15 2HD LYS 15 -6.412 11.585 5.185
105 2HD LYS 15 1HD LYS 15 -6.381 9.858 4.820
106 1HE LYS 15 2HE LYS 15 -5.665 10.986 7.517
107 2HE LYS 15 1HE LYS 15 -7.302 10.495 7.084
108 1HZ LYS 15 1HZ LYS 15 -6.772 8.323 7.183
109 2HZ LYS 15 2HZ LYS 15 -5.539 8.863 8.206
110 3HZ LYS 15 3HZ LYS 15 -5.207 8.545 6.579
111 H THR 16 H THR 16 -2.280 11.731 4.525
112 HA THR 16 HA THR 16 0.082 11.595 2.851
113 HB THR 16 HB THR 16 -0.176 14.150 4.345
114 HG1 THR 16 1HG THR 16 -1.311 15.100 2.648
115 1HG2 THR 16 1HG2 THR 16 0.727 14.682 1.810
116 2HG2 THR 16 2HG2 THR 16 1.399 13.087 2.154
117 3HG2 THR 16 3HG2 THR 16 1.728 14.436 3.243
118 H CYS 17 H CYS 17 2.021 12.509 4.324
119 HA CYS 17 HA CYS 17 1.636 11.704 7.106
120 1HB CYS 17 2HB CYS 17 3.984 10.587 5.600
121 2HB CYS 17 1HB CYS 17 3.287 10.045 7.127
122 H SER 18 H SER 18 3.332 12.406 8.523
123 HA SER 18 HA SER 18 4.409 14.948 7.773
124 1HB SER 18 2HB SER 18 5.603 14.469 10.142
125 2HB SER 18 1HB SER 18 3.937 15.031 10.005
126 HG SER 18 HG SER 18 3.212 13.077 10.517
127 H GLY 19 H GLY 19 6.383 15.428 7.016
128 1HA GLY 19 2HA GLY 19 8.525 15.149 6.235
129 2HA GLY 19 1HA GLY 19 8.758 14.065 7.606
130 H GLU 20 H GLU 20 6.521 13.702 4.894
131 HA GLU 20 HA GLU 20 6.971 11.005 4.485
132 1HB GLU 20 2HB GLU 20 5.743 13.202 2.950
133 2HB GLU 20 1HB GLU 20 6.275 11.827 1.982
134 1HG GLU 20 2HG GLU 20 4.999 10.476 3.861
135 2HG GLU 20 1HG GLU 20 4.131 12.003 4.024
136 H THR 21 H THR 21 8.552 9.844 3.624
137 HA THR 21 HA THR 21 10.580 11.227 1.996
138 HB THR 21 HB THR 21 11.422 8.707 3.223
139 HG1 THR 21 1HG THR 21 10.595 10.869 4.843
140 1HG2 THR 21 1HG2 THR 21 12.740 11.273 3.854
141 2HG2 THR 21 2HG2 THR 21 12.758 10.746 2.172
142 3HG2 THR 21 3HG2 THR 21 13.435 9.709 3.427
143 H ASN 22 H ASN 22 9.048 8.090 2.575
144 HA ASN 22 HA ASN 22 8.876 7.630 -0.285
145 1HB ASN 22 2HB ASN 22 9.949 5.286 1.175
146 2HB ASN 22 1HB ASN 22 10.261 5.832 -0.473
147 1HD2 ASN 22 1HD2 ASN 22 11.629 5.344 2.445
148 2HD2 ASN 22 2HD2 ASN 22 12.961 6.454 2.341
149 H CYS 23 H CYS 23 7.240 6.205 -0.854
150 HA CYS 23 HA CYS 23 5.550 5.284 1.368
151 1HB CYS 23 2HB CYS 23 4.928 6.532 -1.265
152 2HB CYS 23 1HB CYS 23 3.806 5.325 -0.640
153 H TYR 24 H TYR 24 3.914 3.522 0.252
154 HA TYR 24 HA TYR 24 5.273 1.739 -1.543
155 1HB TYR 24 2HB TYR 24 5.383 -0.167 0.037
156 2HB TYR 24 1HB TYR 24 6.467 1.154 0.474
157 HD1 TYR 24 1HD TYR 24 5.695 2.764 2.302
158 HD2 TYR 24 2HD TYR 24 3.811 -0.979 1.572
159 HE1 TYR 24 1HE TYR 24 4.712 2.824 4.555
160 HE2 TYR 24 2HE TYR 24 2.823 -0.924 3.824
161 HH TYR 24 HH TYR 24 2.211 0.826 5.525
162 H LYS 25 H LYS 25 4.085 -0.447 -1.570
163 HA LYS 25 HA LYS 25 1.285 -0.367 -0.891
164 1HB LYS 25 2HB LYS 25 1.687 0.848 -3.192
165 2HB LYS 25 1HB LYS 25 1.857 -0.799 -3.799
166 1HG LYS 25 2HG LYS 25 -0.386 -1.259 -2.691
167 2HG LYS 25 1HG LYS 25 -0.545 0.493 -2.564
168 1HD LYS 25 2HD LYS 25 -0.695 0.778 -4.845
169 2HD LYS 25 1HD LYS 25 0.184 -0.711 -5.194
170 1HE LYS 25 2HE LYS 25 -1.905 -1.834 -4.074
171 2HE LYS 25 1HE LYS 25 -2.690 -0.314 -4.500
172 1HZ LYS 25 1HZ LYS 25 -1.690 -2.441 -6.233
173 2HZ LYS 25 2HZ LYS 25 -1.544 -0.854 -6.802
174 3HZ LYS 25 3HZ LYS 25 -3.066 -1.470 -6.396
175 H LYS 26 H LYS 26 0.822 -2.359 -0.226
176 HA LYS 26 HA LYS 26 2.332 -4.588 -1.421
177 1HB LYS 26 2HB LYS 26 1.813 -5.736 0.823
178 2HB LYS 26 1HB LYS 26 3.077 -4.526 0.774
179 1HG LYS 26 2HG LYS 26 0.494 -3.370 1.381
180 2HG LYS 26 1HG LYS 26 0.958 -4.622 2.535
181 1HD LYS 26 2HD LYS 26 3.172 -2.862 1.905
182 2HD LYS 26 1HD LYS 26 1.785 -1.971 2.531
183 1HE LYS 26 2HE LYS 26 1.953 -2.890 4.589
184 2HE LYS 26 1HE LYS 26 2.467 -4.455 3.962
185 1HZ LYS 26 1HZ LYS 26 4.593 -3.936 4.271
186 2HZ LYS 26 2HZ LYS 26 4.061 -2.617 5.187
187 3HZ LYS 26 3HZ LYS 26 4.430 -2.414 3.549
188 H TRP 27 H TRP 27 1.303 -6.622 -1.496
189 HA TRP 27 HA TRP 27 -1.500 -6.863 -1.011
190 1HB TRP 27 2HB TRP 27 -2.091 -7.439 -3.376
191 2HB TRP 27 1HB TRP 27 -1.779 -5.751 -3.094
192 HD1 TRP 27 HD TRP 27 -0.692 -8.641 -5.073
193 HE1 TRP 27 1HE TRP 27 1.147 -7.956 -6.718
194 HE3 TRP 27 3HE TRP 27 0.311 -3.962 -3.278
195 HZ2 TRP 27 2HZ TRP 27 2.815 -5.736 -7.209
196 HZ3 TRP 27 3HZ TRP 27 2.039 -2.626 -4.398
197 HH2 TRP 27 HH TRP 27 3.265 -3.491 -6.321
198 H TRP 28 H TRP 28 -2.310 -8.984 -1.445
199 HA TRP 28 HA TRP 28 -0.438 -11.058 -2.197
200 1HB TRP 28 2HB TRP 28 -0.607 -12.241 -0.012
201 2HB TRP 28 1HB TRP 28 0.229 -10.696 0.113
202 HD1 TRP 28 HD TRP 28 -2.944 -12.443 1.165
203 HE1 TRP 28 1HE TRP 28 -4.119 -10.999 2.904
204 HE3 TRP 28 3HE TRP 28 -0.050 -8.244 0.883
205 HZ2 TRP 28 2HZ TRP 28 -3.884 -8.439 4.057
206 HZ3 TRP 28 3HZ TRP 28 -0.589 -6.340 2.345
207 HH2 TRP 28 HH TRP 28 -2.471 -6.438 3.900
208 H SER 29 H SER 29 -1.565 -13.284 -1.436
209 HA SER 29 HA SER 29 -4.457 -13.151 -1.762
210 1HB SER 29 2HB SER 29 -3.112 -15.127 -3.528
211 2HB SER 29 1HB SER 29 -4.601 -14.210 -3.786
212 HG SER 29 HG SER 29 -2.886 -13.530 -5.161
213 H ASP 30 H ASP 30 -5.454 -14.659 -0.546
214 HA ASP 30 HA ASP 30 -3.805 -16.895 0.442
215 1HB ASP 30 2HB ASP 30 -4.154 -15.293 2.231
216 2HB ASP 30 1HB ASP 30 -5.896 -15.313 1.955
217 H HIS 31 H HIS 31 -7.209 -16.444 1.197
218 HA HIS 31 HA HIS 31 -7.911 -18.572 -0.693
219 1HB HIS 31 2HB HIS 31 -9.361 -19.583 1.114
220 2HB HIS 31 1HB HIS 31 -7.626 -19.773 1.347
221 HD1 HIS 31 1HD HIS 31 -10.507 -17.654 2.600
222 HD2 HIS 31 2HD HIS 31 -6.681 -18.821 3.725
223 HE1 HIS 31 1HE HIS 31 -10.212 -16.814 4.951
224 HE2 HIS 31 2HE HIS 31 -7.855 -17.450 5.577
225 H ARG 32 H ARG 32 -9.117 -16.138 1.591
226 HA ARG 32 HA ARG 32 -11.748 -16.055 0.557
227 1HB ARG 32 2HB ARG 32 -10.114 -14.411 2.403
228 2HB ARG 32 1HB ARG 32 -11.470 -13.590 1.629
229 1HG ARG 32 2HG ARG 32 -13.040 -14.920 2.668
230 2HG ARG 32 1HG ARG 32 -11.896 -16.235 2.947
231 1HD ARG 32 2HD ARG 32 -10.701 -14.433 4.446
232 2HD ARG 32 1HD ARG 32 -12.311 -13.714 4.480
233 HE ARG 32 HE ARG 32 -12.282 -16.520 5.108
234 1HH1 ARG 32 1HH1 ARG 32 -11.940 -13.296 6.400
235 2HH1 ARG 32 2HH1 ARG 32 -12.376 -13.761 8.010
236 1HH2 ARG 32 1HH2 ARG 32 -12.855 -17.132 7.224
237 2HH2 ARG 32 2HH2 ARG 32 -12.894 -15.940 8.479
238 H GLY 33 H GLY 33 -8.753 -14.643 -0.459
239 1HA GLY 33 2HA GLY 33 -9.303 -14.062 -3.005
240 2HA GLY 33 1HA GLY 33 -10.045 -12.690 -2.183
241 H THR 34 H THR 34 -8.672 -11.166 -3.039
242 HA THR 34 HA THR 34 -5.857 -11.346 -2.183
243 HB THR 34 HB THR 34 -6.182 -9.380 -4.230
244 HG1 THR 34 1HG THR 34 -6.951 -10.685 -5.900
245 1HG2 THR 34 1HG2 THR 34 -4.711 -11.947 -3.943
246 2HG2 THR 34 2HG2 THR 34 -4.098 -10.311 -4.185
247 3HG2 THR 34 3HG2 THR 34 -4.828 -11.187 -5.530
248 H ILE 35 H ILE 35 -4.991 -9.677 -1.051
249 HA ILE 35 HA ILE 35 -6.758 -7.381 -0.495
250 HB ILE 35 HB ILE 35 -4.742 -8.520 1.436
251 1HG1 ILE 35 2HG1 ILE 35 -7.741 -8.909 1.485
252 2HG1 ILE 35 1HG1 ILE 35 -6.603 -10.125 0.913
253 1HG2 ILE 35 1HG2 ILE 35 -5.898 -7.143 3.072
254 2HG2 ILE 35 2HG2 ILE 35 -7.022 -6.586 1.832
255 3HG2 ILE 35 3HG2 ILE 35 -5.313 -6.156 1.733
256 1HD1 ILE 35 1HD1 ILE 35 -7.323 -9.355 3.633
257 2HD1 ILE 35 2HD1 ILE 35 -5.589 -9.529 3.365
258 3HD1 ILE 35 3HD1 ILE 35 -6.674 -10.872 3.011
259 H ILE 36 H ILE 36 -5.771 -5.350 -0.197
260 HA ILE 36 HA ILE 36 -2.922 -5.142 -0.845
261 HB ILE 36 HB ILE 36 -3.272 -3.442 -2.519
262 1HG1 ILE 36 2HG1 ILE 36 -6.224 -3.852 -1.985
263 2HG1 ILE 36 1HG1 ILE 36 -5.293 -2.394 -1.667
264 1HG2 ILE 36 1HG2 ILE 36 -3.731 -6.093 -2.882
265 2HG2 ILE 36 2HG2 ILE 36 -3.613 -4.908 -4.184
266 3HG2 ILE 36 3HG2 ILE 36 -5.195 -5.392 -3.572
267 1HD1 ILE 36 1HD1 ILE 36 -6.634 -3.214 -4.060
268 2HD1 ILE 36 2HD1 ILE 36 -4.922 -2.939 -4.379
269 3HD1 ILE 36 3HD1 ILE 36 -5.900 -1.661 -3.660
270 H GLU 37 H GLU 37 -1.908 -3.694 0.450
271 HA GLU 37 HA GLU 37 -3.546 -1.603 1.711
272 1HB GLU 37 2HB GLU 37 -1.582 -2.045 3.562
273 2HB GLU 37 1HB GLU 37 -3.224 -2.681 3.652
274 1HG GLU 37 2HG GLU 37 -2.575 -4.781 2.920
275 2HG GLU 37 1HG GLU 37 -1.061 -4.192 2.245
276 H ARG 38 H ARG 38 -2.177 0.188 2.640
277 HA ARG 38 HA ARG 38 0.308 0.615 1.147
278 1HB ARG 38 2HB ARG 38 -1.913 2.660 1.282
279 2HB ARG 38 1HB ARG 38 -0.374 2.839 0.453
280 1HG ARG 38 2HG ARG 38 -1.408 2.134 -1.377
281 2HG ARG 38 1HG ARG 38 -1.447 0.533 -0.634
282 1HD ARG 38 2HD ARG 38 -3.645 0.716 -0.030
283 2HD ARG 38 1HD ARG 38 -3.574 2.472 0.104
284 HE ARG 38 HE ARG 38 -4.124 2.640 -2.120
285 1HH1 ARG 38 1HH1 ARG 38 -3.272 -0.667 -1.395
286 2HH1 ARG 38 2HH1 ARG 38 -3.817 -1.272 -2.922
287 1HH2 ARG 38 1HH2 ARG 38 -4.842 1.845 -4.127
288 2HH2 ARG 38 2HH2 ARG 38 -4.707 0.152 -4.475
289 H GLY 39 H GLY 39 1.251 2.871 1.906
290 1HA GLY 39 2HA GLY 39 0.683 3.899 4.436
291 2HA GLY 39 1HA GLY 39 1.835 2.592 4.660
292 H CYS 40 H CYS 40 3.127 4.436 5.526
293 HA CYS 40 HA CYS 40 4.539 5.820 3.340
294 1HB CYS 40 2HB CYS 40 3.517 6.782 5.939
295 2HB CYS 40 1HB CYS 40 5.146 7.320 5.525
296 H GLY 41 H GLY 41 6.266 4.516 3.011
297 1HA GLY 41 2HA GLY 41 8.572 4.632 4.380
298 2HA GLY 41 1HA GLY 41 7.711 3.361 5.247
299 H CYS 42 H CYS 42 9.350 1.869 4.622
300 HA CYS 42 HA CYS 42 8.758 0.556 2.137
301 1HB CYS 42 2HB CYS 42 10.360 2.316 1.417
302 2HB CYS 42 1HB CYS 42 11.554 1.649 2.534
303 HA PRO 43 HA PRO 43 10.404 -2.096 5.614
304 1HB PRO 43 2HB PRO 43 8.152 -3.389 6.277
305 2HB PRO 43 1HB PRO 43 8.511 -1.773 6.908
306 1HG PRO 43 2HG PRO 43 6.701 -2.575 4.661
307 2HG PRO 43 1HG PRO 43 6.434 -1.373 5.942
308 1HD PRO 43 2HD PRO 43 7.248 -0.756 3.388
309 2HD PRO 43 1HD PRO 43 7.576 0.255 4.812
310 H LYS 44 H LYS 44 9.609 -4.647 5.834
311 HA LYS 44 HA LYS 44 10.022 -5.722 3.129
312 1HB LYS 44 2HB LYS 44 11.456 -6.168 5.435
313 2HB LYS 44 1HB LYS 44 10.395 -7.568 5.374
314 1HG LYS 44 2HG LYS 44 11.180 -7.839 2.960
315 2HG LYS 44 1HG LYS 44 12.456 -6.696 3.381
316 1HD LYS 44 2HD LYS 44 12.051 -8.948 5.249
317 2HD LYS 44 1HD LYS 44 12.695 -9.362 3.659
318 1HE LYS 44 2HE LYS 44 14.643 -8.937 4.778
319 2HE LYS 44 1HE LYS 44 14.292 -7.329 4.144
320 1HZ LYS 44 1HZ LYS 44 14.019 -6.519 6.186
321 2HZ LYS 44 2HZ LYS 44 14.758 -7.933 6.746
322 3HZ LYS 44 3HZ LYS 44 13.071 -7.826 6.694
323 H VAL 45 H VAL 45 9.300 -8.317 3.441
324 HA VAL 45 HA VAL 45 6.621 -8.451 4.549
325 HB VAL 45 HB VAL 45 5.718 -9.326 2.335
326 1HG1 VAL 45 1HG1 VAL 45 5.190 -7.110 3.384
327 2HG1 VAL 45 2HG1 VAL 45 5.017 -7.164 1.629
328 3HG1 VAL 45 3HG1 VAL 45 6.434 -6.402 2.352
329 1HG2 VAL 45 1HG2 VAL 45 8.106 -7.827 1.262
330 2HG2 VAL 45 2HG2 VAL 45 6.796 -8.520 0.306
331 3HG2 VAL 45 3HG2 VAL 45 7.882 -9.576 1.209
332 H LYS 46 H LYS 46 5.668 -10.651 4.270
333 HA LYS 46 HA LYS 46 7.631 -12.621 4.856
334 1HB LYS 46 2HB LYS 46 4.718 -13.221 4.503
335 2HB LYS 46 1HB LYS 46 5.866 -13.945 5.610
336 1HG LYS 46 2HG LYS 46 5.360 -12.516 7.222
337 2HG LYS 46 1HG LYS 46 5.536 -11.128 6.150
338 1HD LYS 46 2HD LYS 46 3.271 -11.249 7.034
339 2HD LYS 46 1HD LYS 46 3.271 -11.518 5.289
340 1HE LYS 46 2HE LYS 46 2.703 -13.724 5.491
341 2HE LYS 46 1HE LYS 46 3.472 -13.889 7.068
342 1HZ LYS 46 1HZ LYS 46 0.817 -12.783 6.419
343 2HZ LYS 46 2HZ LYS 46 1.594 -12.358 7.859
344 3HZ LYS 46 3HZ LYS 46 1.223 -13.978 7.545
345 HA PRO 47 HA PRO 47 7.640 -14.749 0.983
346 1HB PRO 47 2HB PRO 47 7.212 -17.396 1.707
347 2HB PRO 47 1HB PRO 47 8.744 -16.549 1.781
348 1HG PRO 47 2HG PRO 47 7.119 -17.468 3.917
349 2HG PRO 47 1HG PRO 47 8.719 -16.736 3.988
350 1HD PRO 47 2HD PRO 47 6.141 -15.560 4.576
351 2HD PRO 47 1HD PRO 47 7.767 -14.908 4.857
352 H GLY 48 H GLY 48 5.972 -14.196 -0.303
353 1HA GLY 48 2HA GLY 48 4.187 -15.579 -1.503
354 2HA GLY 48 1HA GLY 48 3.394 -15.579 0.072
355 H VAL 49 H VAL 49 3.849 -13.018 0.901
356 HA VAL 49 HA VAL 49 1.925 -11.563 -0.660
357 HB VAL 49 HB VAL 49 1.744 -11.404 1.710
358 1HG1 VAL 49 1HG1 VAL 49 3.672 -11.822 2.779
359 2HG1 VAL 49 2HG1 VAL 49 3.785 -10.063 2.816
360 3HG1 VAL 49 3HG1 VAL 49 4.650 -10.977 1.580
361 1HG2 VAL 49 1HG2 VAL 49 2.946 -8.739 1.141
362 2HG2 VAL 49 2HG2 VAL 49 1.423 -9.143 1.932
363 3HG2 VAL 49 3HG2 VAL 49 1.567 -9.269 0.180
364 H ASN 50 H ASN 50 2.255 -9.714 -1.850
365 HA ASN 50 HA ASN 50 5.031 -9.187 -2.611
366 1HB ASN 50 2HB ASN 50 2.591 -8.069 -3.978
367 2HB ASN 50 1HB ASN 50 4.213 -8.285 -4.636
368 1HD2 ASN 50 1HD2 ASN 50 1.139 -9.653 -4.189
369 2HD2 ASN 50 2HD2 ASN 50 1.467 -11.208 -4.890
370 H LEU 51 H LEU 51 5.762 -7.002 -2.915
371 HA LEU 51 HA LEU 51 4.308 -4.816 -1.756
372 1HB LEU 51 2HB LEU 51 5.044 -5.668 0.312
373 2HB LEU 51 1HB LEU 51 6.618 -6.099 -0.327
374 HG LEU 51 HG LEU 51 6.975 -3.554 -0.598
375 1HD1 LEU 51 1HD1 LEU 51 5.614 -2.084 0.482
376 2HD1 LEU 51 2HD1 LEU 51 5.066 -3.281 1.656
377 3HD1 LEU 51 3HD1 LEU 51 4.422 -3.296 0.014
378 1HD2 LEU 51 1HD2 LEU 51 6.830 -4.217 2.275
379 2HD2 LEU 51 2HD2 LEU 51 8.180 -3.615 1.311
380 3HD2 LEU 51 3HD2 LEU 51 7.749 -5.324 1.254
381 H ASN 52 H ASN 52 5.218 -2.802 -2.303
382 HA ASN 52 HA ASN 52 7.820 -2.706 -3.552
383 1HB ASN 52 2HB ASN 52 7.210 -2.222 -5.738
384 2HB ASN 52 1HB ASN 52 6.045 -3.465 -5.299
385 1HD2 ASN 52 1HD2 ASN 52 4.084 -2.290 -4.037
386 2HD2 ASN 52 2HD2 ASN 52 3.370 -1.023 -4.967
387 H CYS 53 H CYS 53 8.762 -0.885 -2.956
388 HA CYS 53 HA CYS 53 7.191 1.280 -1.850
389 1HB CYS 53 2HB CYS 53 10.183 1.266 -2.139
390 2HB CYS 53 1HB CYS 53 9.191 2.060 -0.921
391 H CYS 54 H CYS 54 7.508 3.493 -2.494
392 HA CYS 54 HA CYS 54 8.816 4.123 -4.970
393 1HB CYS 54 2HB CYS 54 6.579 5.033 -5.933
394 2HB CYS 54 1HB CYS 54 6.960 3.321 -6.121
395 H ARG 55 H ARG 55 8.771 6.298 -5.500
396 HA ARG 55 HA ARG 55 8.131 8.025 -3.225
397 1HB ARG 55 2HB ARG 55 10.231 9.049 -4.893
398 2HB ARG 55 1HB ARG 55 10.253 8.658 -3.183
399 1HG ARG 55 2HG ARG 55 10.599 6.240 -3.927
400 2HG ARG 55 1HG ARG 55 10.989 6.931 -5.509
401 1HD ARG 55 2HD ARG 55 13.078 7.101 -4.729
402 2HD ARG 55 1HD ARG 55 12.479 8.469 -3.792
403 HE ARG 55 HE ARG 55 11.946 6.350 -2.199
404 1HH1 ARG 55 1HH1 ARG 55 14.833 7.450 -3.820
405 2HH1 ARG 55 2HH1 ARG 55 15.903 6.802 -2.622
406 1HH2 ARG 55 1HH2 ARG 55 13.350 5.498 -0.622
407 2HH2 ARG 55 2HH2 ARG 55 15.061 5.693 -0.807
408 H THR 56 H THR 56 6.258 7.600 -5.263
409 HA THR 56 HA THR 56 6.286 10.226 -6.598
410 HB THR 56 HB THR 56 4.707 8.785 -8.256
411 HG1 THR 56 1HG THR 56 5.570 6.764 -8.536
412 1HG2 THR 56 1HG2 THR 56 7.480 9.646 -8.322
413 2HG2 THR 56 2HG2 THR 56 6.231 9.729 -9.566
414 3HG2 THR 56 3HG2 THR 56 7.161 8.247 -9.348
415 H ASP 57 H ASP 57 4.215 11.201 -6.937
416 HA ASP 57 HA ASP 57 2.463 10.936 -4.748
417 1HB ASP 57 2HB ASP 57 0.989 12.471 -6.141
418 2HB ASP 57 1HB ASP 57 2.609 13.069 -5.778
419 H ARG 58 H ARG 58 0.798 9.606 -4.425
420 HA ARG 58 HA ARG 58 -0.801 8.023 -4.763
421 1HB ARG 58 2HB ARG 58 -0.937 9.138 -7.571
422 2HB ARG 58 1HB ARG 58 -2.181 8.198 -6.747
423 1HG ARG 58 2HG ARG 58 -2.597 9.980 -5.207
424 2HG ARG 58 1HG ARG 58 -1.219 10.896 -5.818
425 1HD ARG 58 2HD ARG 58 -2.605 10.532 -8.102
426 2HD ARG 58 1HD ARG 58 -3.929 10.565 -6.937
427 HE ARG 58 HE ARG 58 -2.470 12.729 -6.252
428 1HH1 ARG 58 1HH1 ARG 58 -3.773 11.618 -9.294
429 2HH1 ARG 58 2HH1 ARG 58 -3.970 13.215 -9.935
430 1HH2 ARG 58 1HH2 ARG 58 -2.729 14.829 -7.093
431 2HH2 ARG 58 2HH2 ARG 58 -3.379 15.037 -8.685
432 H CYS 59 H CYS 59 2.027 7.459 -5.366
433 HA CYS 59 HA CYS 59 2.218 5.786 -7.632
434 1HB CYS 59 2HB CYS 59 4.367 5.211 -6.826
435 2HB CYS 59 1HB CYS 59 4.112 6.891 -6.361
436 H ASN 60 H ASN 60 0.846 5.308 -4.524
437 HA ASN 60 HA ASN 60 0.860 2.388 -4.903
438 1HB ASN 60 2HB ASN 60 0.241 2.303 -2.472
439 2HB ASN 60 1HB ASN 60 1.835 2.991 -2.792
440 1HD2 ASN 60 1HD2 ASN 60 1.222 3.674 -0.487
441 2HD2 ASN 60 2HD2 ASN 60 0.494 5.244 -0.345
442 H ASN 61 H ASN 61 -0.916 4.267 -6.273
443 HA ASN 61 HA ASN 61 -3.467 4.339 -5.115
444 1HB ASN 61 2HB ASN 61 -4.163 4.410 -7.659
445 2HB ASN 61 1HB ASN 61 -3.342 5.769 -6.912
446 1HD2 ASN 61 1HD2 ASN 61 -1.839 2.725 -7.820
447 2HD2 ASN 61 2HD2 ASN 61 -0.831 3.387 -9.067
Start of MODEL 12
1 1H LEU 1 1HT LEU 1 4.435 15.269 -0.897
2 2H LEU 1 2HT LEU 1 5.524 14.087 -0.295
3 3H LEU 1 3HT LEU 1 3.988 14.296 0.442
4 HA LEU 1 HA LEU 1 4.329 13.507 -2.364
5 1HB LEU 1 2HB LEU 1 4.973 12.046 -0.022
6 2HB LEU 1 1HB LEU 1 3.500 11.361 -0.685
7 HG LEU 1 HG LEU 1 5.535 10.250 -1.500
8 1HD1 LEU 1 1HD1 LEU 1 3.544 10.164 -2.854
9 2HD1 LEU 1 2HD1 LEU 1 4.976 10.271 -3.878
10 3HD1 LEU 1 3HD1 LEU 1 3.972 11.698 -3.613
11 1HD2 LEU 1 1HD2 LEU 1 7.270 11.293 -2.480
12 2HD2 LEU 1 2HD2 LEU 1 6.652 12.700 -1.613
13 3HD2 LEU 1 3HD2 LEU 1 6.231 12.453 -3.308
14 H GLU 2 H GLU 2 2.341 11.658 -2.348
15 HA GLU 2 HA GLU 2 -0.059 12.668 -1.143
16 1HB GLU 2 2HB GLU 2 0.672 13.466 -3.872
17 2HB GLU 2 1HB GLU 2 -0.934 12.762 -3.745
18 1HG GLU 2 2HG GLU 2 -1.565 14.389 -2.085
19 2HG GLU 2 1HG GLU 2 0.068 15.051 -2.074
20 H CYS 3 H CYS 3 0.840 10.290 -0.693
21 HA CYS 3 HA CYS 3 -0.005 8.326 -2.608
22 1HB CYS 3 2HB CYS 3 0.600 7.697 0.260
23 2HB CYS 3 1HB CYS 3 0.933 6.750 -1.187
24 H HIS 4 H HIS 4 -1.145 6.373 -1.052
25 HA HIS 4 HA HIS 4 -3.716 7.579 -0.264
26 1HB HIS 4 2HB HIS 4 -3.221 4.905 -1.595
27 2HB HIS 4 1HB HIS 4 -4.794 5.494 -1.052
28 HD1 HIS 4 1HD HIS 4 -5.806 7.527 -2.394
29 HD2 HIS 4 2HD HIS 4 -2.386 5.844 -4.051
30 HE1 HIS 4 1HE HIS 4 -5.709 8.390 -4.753
31 HE2 HIS 4 2HE HIS 4 -3.697 7.265 -5.770
32 H ASN 5 H ASN 5 -5.006 5.621 0.933
33 HA ASN 5 HA ASN 5 -3.417 4.040 2.701
34 1HB ASN 5 2HB ASN 5 -4.266 5.213 4.794
35 2HB ASN 5 1HB ASN 5 -2.997 6.049 3.895
36 1HD2 ASN 5 1HD2 ASN 5 -3.621 7.802 2.516
37 2HD2 ASN 5 2HD2 ASN 5 -5.037 8.733 2.889
38 H GLN 6 H GLN 6 -5.456 3.439 0.933
39 HA GLN 6 HA GLN 6 -7.753 2.860 2.680
40 1HB GLN 6 2HB GLN 6 -8.879 2.356 0.409
41 2HB GLN 6 1HB GLN 6 -8.600 4.034 0.851
42 1HG GLN 6 2HG GLN 6 -6.936 4.314 -0.706
43 2HG GLN 6 1HG GLN 6 -6.549 2.595 -0.759
44 1HE2 GLN 6 1HE2 GLN 6 -6.763 3.872 -3.091
45 2HE2 GLN 6 2HE2 GLN 6 -8.230 3.433 -3.911
46 H GLN 7 H GLN 7 -7.779 0.864 3.472
47 HA GLN 7 HA GLN 7 -6.230 -1.247 2.288
48 1HB GLN 7 2HB GLN 7 -7.255 -2.587 4.178
49 2HB GLN 7 1HB GLN 7 -6.257 -1.223 4.652
50 1HG GLN 7 2HG GLN 7 -7.932 -0.303 5.767
51 2HG GLN 7 1HG GLN 7 -9.002 -0.419 4.370
52 1HE2 GLN 7 1HE2 GLN 7 -7.548 -2.498 6.853
53 2HE2 GLN 7 2HE2 GLN 7 -8.971 -3.455 7.128
54 H SER 8 H SER 8 -7.367 -3.484 2.176
55 HA SER 8 HA SER 8 -8.816 -4.858 1.091
56 1HB SER 8 2HB SER 8 -10.544 -2.799 2.300
57 2HB SER 8 1HB SER 8 -11.266 -3.654 0.931
58 HG SER 8 HG SER 8 -11.703 -5.059 2.456
59 H SER 9 H SER 9 -10.391 -1.854 0.059
60 HA SER 9 HA SER 9 -9.089 -1.525 -2.386
61 1HB SER 9 2HB SER 9 -11.255 -3.556 -2.375
62 2HB SER 9 1HB SER 9 -11.253 -2.412 -3.717
63 HG SER 9 HG SER 9 -9.340 -4.336 -3.008
64 H GLN 10 H GLN 10 -12.578 -1.686 -1.683
65 HA GLN 10 HA GLN 10 -13.142 0.831 -2.798
66 1HB GLN 10 2HB GLN 10 -14.607 -1.147 -1.150
67 2HB GLN 10 1HB GLN 10 -15.241 0.498 -1.153
68 1HG GLN 10 2HG GLN 10 -14.574 -0.516 -3.805
69 2HG GLN 10 1HG GLN 10 -15.824 -1.447 -2.977
70 1HE2 GLN 10 1HE2 GLN 10 -17.286 -0.708 -4.593
71 2HE2 GLN 10 2HE2 GLN 10 -17.979 0.881 -4.492
72 H ALA 11 H ALA 11 -14.568 2.363 -1.194
73 HA ALA 11 HA ALA 11 -14.420 4.067 0.304
74 1HB ALA 11 1HB ALA 11 -12.827 2.448 2.210
75 2HB ALA 11 2HB ALA 11 -14.419 1.840 1.755
76 3HB ALA 11 3HB ALA 11 -14.261 3.438 2.483
77 HA PRO 12 HA PRO 12 -9.996 4.780 -1.267
78 1HB PRO 12 2HB PRO 12 -11.512 7.254 -1.992
79 2HB PRO 12 1HB PRO 12 -10.221 6.425 -2.876
80 1HG PRO 12 2HG PRO 12 -12.696 6.088 -3.678
81 2HG PRO 12 1HG PRO 12 -11.625 4.672 -3.529
82 1HD PRO 12 2HD PRO 12 -13.788 5.606 -1.667
83 2HD PRO 12 1HD PRO 12 -13.413 3.955 -2.218
84 H THR 13 H THR 13 -8.492 6.317 -0.466
85 HA THR 13 HA THR 13 -9.298 8.348 1.396
86 HB THR 13 HB THR 13 -7.877 7.325 3.263
87 HG1 THR 13 1HG THR 13 -7.108 5.617 1.763
88 1HG2 THR 13 1HG2 THR 13 -9.688 6.461 4.304
89 2HG2 THR 13 2HG2 THR 13 -10.211 5.550 2.887
90 3HG2 THR 13 3HG2 THR 13 -10.506 7.285 2.978
91 H THR 14 H THR 14 -8.005 9.965 0.845
92 HA THR 14 HA THR 14 -5.202 9.358 0.165
93 HB THR 14 HB THR 14 -5.196 11.314 -1.255
94 HG1 THR 14 1HG THR 14 -7.906 11.702 -0.522
95 1HG2 THR 14 1HG2 THR 14 -5.976 9.956 -2.822
96 2HG2 THR 14 2HG2 THR 14 -7.563 10.660 -2.509
97 3HG2 THR 14 3HG2 THR 14 -7.083 9.169 -1.697
98 H LYS 15 H LYS 15 -3.572 10.515 1.108
99 HA LYS 15 HA LYS 15 -4.085 12.835 2.723
100 1HB LYS 15 2HB LYS 15 -4.586 10.559 4.047
101 2HB LYS 15 1HB LYS 15 -2.848 10.643 4.301
102 1HG LYS 15 2HG LYS 15 -3.246 11.986 6.014
103 2HG LYS 15 1HG LYS 15 -3.766 13.210 4.855
104 1HD LYS 15 2HD LYS 15 -5.850 11.260 5.378
105 2HD LYS 15 1HD LYS 15 -5.308 12.057 6.856
106 1HE LYS 15 2HE LYS 15 -5.793 14.210 5.969
107 2HE LYS 15 1HE LYS 15 -6.059 13.553 4.355
108 1HZ LYS 15 1HZ LYS 15 -7.742 12.459 6.451
109 2HZ LYS 15 2HZ LYS 15 -8.135 12.907 4.867
110 3HZ LYS 15 3HZ LYS 15 -8.018 14.086 6.075
111 H THR 16 H THR 16 -1.952 13.328 4.040
112 HA THR 16 HA THR 16 0.319 12.743 2.253
113 HB THR 16 HB THR 16 -0.423 15.078 2.075
114 HG1 THR 16 1HG THR 16 1.578 15.700 1.984
115 1HG2 THR 16 1HG2 THR 16 0.388 15.470 4.935
116 2HG2 THR 16 2HG2 THR 16 -1.290 15.239 4.439
117 3HG2 THR 16 3HG2 THR 16 -0.376 16.623 3.839
118 H CYS 17 H CYS 17 2.478 13.189 3.403
119 HA CYS 17 HA CYS 17 2.342 12.145 6.156
120 1HB CYS 17 2HB CYS 17 4.547 11.554 4.175
121 2HB CYS 17 1HB CYS 17 4.299 10.815 5.759
122 H SER 18 H SER 18 4.095 12.751 7.564
123 HA SER 18 HA SER 18 5.387 15.276 6.762
124 1HB SER 18 2HB SER 18 5.339 15.401 9.493
125 2HB SER 18 1HB SER 18 4.135 16.141 8.439
126 HG SER 18 HG SER 18 2.749 14.532 8.858
127 H GLY 19 H GLY 19 7.410 14.629 6.237
128 1HA GLY 19 2HA GLY 19 9.638 14.339 7.024
129 2HA GLY 19 1HA GLY 19 9.002 13.445 8.403
130 H GLU 20 H GLU 20 8.051 12.888 5.068
131 HA GLU 20 HA GLU 20 9.407 10.273 5.192
132 1HB GLU 20 2HB GLU 20 6.653 11.025 4.477
133 2HB GLU 20 1HB GLU 20 7.423 9.915 3.342
134 1HG GLU 20 2HG GLU 20 6.583 8.373 4.746
135 2HG GLU 20 1HG GLU 20 8.070 8.703 5.633
136 H THR 21 H THR 21 9.246 9.385 2.689
137 HA THR 21 HA THR 21 10.115 11.468 0.853
138 HB THR 21 HB THR 21 12.119 9.884 0.278
139 HG1 THR 21 1HG THR 21 12.769 8.583 1.849
140 1HG2 THR 21 1HG2 THR 21 12.308 11.497 2.804
141 2HG2 THR 21 2HG2 THR 21 12.327 12.193 1.184
142 3HG2 THR 21 3HG2 THR 21 13.607 11.088 1.684
143 H ASN 22 H ASN 22 9.692 7.988 1.345
144 HA ASN 22 HA ASN 22 8.417 7.854 -1.299
145 1HB ASN 22 2HB ASN 22 9.493 5.325 -0.949
146 2HB ASN 22 1HB ASN 22 10.128 6.583 -2.011
147 1HD2 ASN 22 1HD2 ASN 22 10.295 5.339 1.282
148 2HD2 ASN 22 2HD2 ASN 22 11.956 5.767 1.552
149 H CYS 23 H CYS 23 6.843 6.183 -1.553
150 HA CYS 23 HA CYS 23 5.653 5.333 0.999
151 1HB CYS 23 2HB CYS 23 4.516 6.333 -1.557
152 2HB CYS 23 1HB CYS 23 3.610 5.071 -0.724
153 H TYR 24 H TYR 24 3.912 3.417 0.169
154 HA TYR 24 HA TYR 24 5.300 1.528 -1.526
155 1HB TYR 24 2HB TYR 24 5.338 -0.252 0.193
156 2HB TYR 24 1HB TYR 24 6.404 1.098 0.585
157 HD1 TYR 24 1HD TYR 24 3.353 -0.700 1.506
158 HD2 TYR 24 2HD TYR 24 5.888 2.583 2.450
159 HE1 TYR 24 1HE TYR 24 2.251 -0.485 3.694
160 HE2 TYR 24 2HE TYR 24 4.794 2.807 4.641
161 HH TYR 24 HH TYR 24 3.451 1.032 6.217
162 H LYS 25 H LYS 25 4.100 -0.626 -1.484
163 HA LYS 25 HA LYS 25 1.258 -0.428 -0.955
164 1HB LYS 25 2HB LYS 25 1.976 0.434 -3.388
165 2HB LYS 25 1HB LYS 25 1.923 -1.293 -3.725
166 1HG LYS 25 2HG LYS 25 -0.398 -0.216 -2.277
167 2HG LYS 25 1HG LYS 25 -0.192 0.357 -3.932
168 1HD LYS 25 2HD LYS 25 0.277 -2.432 -3.944
169 2HD LYS 25 1HD LYS 25 -1.195 -2.154 -3.015
170 1HE LYS 25 2HE LYS 25 -2.358 -1.478 -4.821
171 2HE LYS 25 1HE LYS 25 -0.986 -0.607 -5.503
172 1HZ LYS 25 1HZ LYS 25 -0.790 -3.507 -5.511
173 2HZ LYS 25 2HZ LYS 25 -0.335 -2.387 -6.695
174 3HZ LYS 25 3HZ LYS 25 -1.956 -2.845 -6.543
175 H LYS 26 H LYS 26 0.707 -2.290 -0.057
176 HA LYS 26 HA LYS 26 2.195 -4.711 -0.834
177 1HB LYS 26 2HB LYS 26 1.208 -5.301 1.646
178 2HB LYS 26 1HB LYS 26 2.829 -4.720 1.320
179 1HG LYS 26 2HG LYS 26 2.266 -2.506 1.913
180 2HG LYS 26 1HG LYS 26 0.541 -2.869 1.905
181 1HD LYS 26 2HD LYS 26 0.697 -3.246 4.095
182 2HD LYS 26 1HD LYS 26 1.654 -4.680 3.716
183 1HE LYS 26 2HE LYS 26 3.414 -2.502 3.530
184 2HE LYS 26 1HE LYS 26 2.454 -2.224 4.982
185 1HZ LYS 26 1HZ LYS 26 4.349 -4.369 4.388
186 2HZ LYS 26 2HZ LYS 26 3.015 -4.753 5.355
187 3HZ LYS 26 3HZ LYS 26 4.083 -3.532 5.834
188 H TRP 27 H TRP 27 1.073 -6.696 -0.853
189 HA TRP 27 HA TRP 27 -1.759 -6.760 -0.421
190 1HB TRP 27 2HB TRP 27 -2.325 -7.503 -2.731
191 2HB TRP 27 1HB TRP 27 -1.860 -5.827 -2.625
192 HD1 TRP 27 HD TRP 27 -0.998 -9.002 -4.251
193 HE1 TRP 27 1HE TRP 27 0.944 -8.660 -5.887
194 HE3 TRP 27 3HE TRP 27 0.381 -4.291 -2.884
195 HZ2 TRP 27 2HZ TRP 27 2.828 -6.656 -6.527
196 HZ3 TRP 27 3HZ TRP 27 2.260 -3.225 -4.062
197 HH2 TRP 27 HH TRP 27 3.458 -4.383 -5.844
198 H TRP 28 H TRP 28 -2.688 -8.892 -0.881
199 HA TRP 28 HA TRP 28 -0.882 -11.116 -1.246
200 1HB TRP 28 2HB TRP 28 -1.378 -12.103 0.995
201 2HB TRP 28 1HB TRP 28 -0.435 -10.617 1.092
202 HD1 TRP 28 HD TRP 28 -3.847 -12.027 1.903
203 HE1 TRP 28 1HE TRP 28 -5.077 -10.351 3.376
204 HE3 TRP 28 3HE TRP 28 -0.579 -8.103 1.633
205 HZ2 TRP 28 2HZ TRP 28 -4.752 -7.722 4.338
206 HZ3 TRP 28 3HZ TRP 28 -1.116 -6.042 2.865
207 HH2 TRP 28 HH TRP 28 -3.162 -5.857 4.189
208 H SER 29 H SER 29 -2.235 -13.201 -0.419
209 HA SER 29 HA SER 29 -5.003 -12.903 -1.374
210 1HB SER 29 2HB SER 29 -3.150 -15.212 -2.026
211 2HB SER 29 1HB SER 29 -4.822 -15.024 -2.569
212 HG SER 29 HG SER 29 -3.029 -14.358 -4.045
213 H ASP 30 H ASP 30 -6.518 -13.847 -0.101
214 HA ASP 30 HA ASP 30 -5.523 -15.559 2.092
215 1HB ASP 30 2HB ASP 30 -6.718 -13.153 2.391
216 2HB ASP 30 1HB ASP 30 -8.135 -14.204 2.417
217 H HIS 31 H HIS 31 -8.128 -15.045 -0.210
218 HA HIS 31 HA HIS 31 -8.613 -17.744 -0.686
219 1HB HIS 31 2HB HIS 31 -10.843 -17.986 0.422
220 2HB HIS 31 1HB HIS 31 -9.500 -17.908 1.557
221 HD1 HIS 31 1HD HIS 31 -12.556 -16.086 0.473
222 HD2 HIS 31 2HD HIS 31 -9.405 -15.563 3.132
223 HE1 HIS 31 1HE HIS 31 -13.249 -14.191 1.972
224 HE2 HIS 31 2HE HIS 31 -11.288 -13.833 3.515
225 H ARG 32 H ARG 32 -8.979 -17.317 -2.785
226 HA ARG 32 HA ARG 32 -9.717 -16.325 -4.669
227 1HB ARG 32 2HB ARG 32 -12.413 -16.357 -3.411
228 2HB ARG 32 1HB ARG 32 -11.915 -16.829 -5.025
229 1HG ARG 32 2HG ARG 32 -12.038 -18.927 -4.354
230 2HG ARG 32 1HG ARG 32 -10.601 -18.612 -3.382
231 1HD ARG 32 2HD ARG 32 -11.854 -18.220 -1.449
232 2HD ARG 32 1HD ARG 32 -13.346 -17.978 -2.356
233 HE ARG 32 HE ARG 32 -12.155 -20.503 -1.580
234 1HH1 ARG 32 1HH1 ARG 32 -14.527 -18.880 -3.562
235 2HH1 ARG 32 2HH1 ARG 32 -15.498 -20.296 -3.776
236 1HH2 ARG 32 1HH2 ARG 32 -13.434 -22.365 -1.864
237 2HH2 ARG 32 2HH2 ARG 32 -14.879 -22.274 -2.813
238 H GLY 33 H GLY 33 -8.841 -14.469 -2.664
239 1HA GLY 33 2HA GLY 33 -9.980 -12.067 -3.755
240 2HA GLY 33 1HA GLY 33 -10.402 -12.319 -2.060
241 H THR 34 H THR 34 -8.500 -10.489 -3.750
242 HA THR 34 HA THR 34 -6.109 -10.886 -2.083
243 HB THR 34 HB THR 34 -6.406 -9.405 -4.704
244 HG1 THR 34 1HG THR 34 -6.450 -11.669 -4.923
245 1HG2 THR 34 1HG2 THR 34 -4.436 -9.042 -2.771
246 2HG2 THR 34 2HG2 THR 34 -4.390 -8.536 -4.460
247 3HG2 THR 34 3HG2 THR 34 -3.713 -10.095 -3.987
248 H ILE 35 H ILE 35 -5.416 -9.328 -0.739
249 HA ILE 35 HA ILE 35 -7.039 -6.873 -0.575
250 HB ILE 35 HB ILE 35 -5.340 -8.085 1.606
251 1HG1 ILE 35 2HG1 ILE 35 -7.884 -8.403 2.469
252 2HG1 ILE 35 1HG1 ILE 35 -8.118 -8.621 0.738
253 1HG2 ILE 35 1HG2 ILE 35 -7.153 -6.555 2.864
254 2HG2 ILE 35 2HG2 ILE 35 -6.993 -5.656 1.355
255 3HG2 ILE 35 3HG2 ILE 35 -5.571 -5.967 2.351
256 1HD1 ILE 35 1HD1 ILE 35 -5.907 -10.171 1.300
257 2HD1 ILE 35 2HD1 ILE 35 -7.560 -10.740 1.071
258 3HD1 ILE 35 3HD1 ILE 35 -6.959 -10.405 2.695
259 H ILE 36 H ILE 36 -5.967 -4.865 -0.170
260 HA ILE 36 HA ILE 36 -3.062 -4.868 -0.533
261 HB ILE 36 HB ILE 36 -3.109 -3.193 -2.256
262 1HG1 ILE 36 2HG1 ILE 36 -6.125 -3.336 -2.022
263 2HG1 ILE 36 1HG1 ILE 36 -5.108 -1.963 -1.596
264 1HG2 ILE 36 1HG2 ILE 36 -3.382 -4.682 -3.901
265 2HG2 ILE 36 2HG2 ILE 36 -5.080 -4.948 -3.506
266 3HG2 ILE 36 3HG2 ILE 36 -3.822 -5.809 -2.619
267 1HD1 ILE 36 1HD1 ILE 36 -5.326 -3.081 -4.376
268 2HD1 ILE 36 2HD1 ILE 36 -4.549 -1.579 -3.877
269 3HD1 ILE 36 3HD1 ILE 36 -6.301 -1.745 -3.765
270 H GLU 37 H GLU 37 -2.039 -3.438 0.767
271 HA GLU 37 HA GLU 37 -3.643 -1.261 1.935
272 1HB GLU 37 2HB GLU 37 -1.687 -1.665 3.799
273 2HB GLU 37 1HB GLU 37 -3.324 -2.308 3.903
274 1HG GLU 37 2HG GLU 37 -2.590 -4.411 2.972
275 2HG GLU 37 1HG GLU 37 -0.964 -3.772 2.741
276 H ARG 38 H ARG 38 -2.292 0.578 2.732
277 HA ARG 38 HA ARG 38 0.272 0.868 1.367
278 1HB ARG 38 2HB ARG 38 -0.651 3.262 0.706
279 2HB ARG 38 1HB ARG 38 -0.879 1.868 -0.341
280 1HG ARG 38 2HG ARG 38 -2.979 2.414 1.675
281 2HG ARG 38 1HG ARG 38 -2.858 3.510 0.298
282 1HD ARG 38 2HD ARG 38 -2.699 0.691 -0.440
283 2HD ARG 38 1HD ARG 38 -4.220 1.124 0.340
284 HE ARG 38 HE ARG 38 -3.429 2.933 -1.752
285 1HH1 ARG 38 1HH1 ARG 38 -5.107 -0.039 -1.018
286 2HH1 ARG 38 2HH1 ARG 38 -6.098 0.025 -2.437
287 1HH2 ARG 38 1HH2 ARG 38 -4.733 3.017 -3.618
288 2HH2 ARG 38 2HH2 ARG 38 -5.887 1.760 -3.912
289 H GLY 39 H GLY 39 1.346 2.976 1.978
290 1HA GLY 39 2HA GLY 39 0.459 4.330 4.339
291 2HA GLY 39 1HA GLY 39 1.729 3.168 4.691
292 H CYS 40 H CYS 40 3.495 4.356 5.072
293 HA CYS 40 HA CYS 40 4.550 5.971 2.898
294 1HB CYS 40 2HB CYS 40 3.224 7.203 5.042
295 2HB CYS 40 1HB CYS 40 4.943 7.418 5.377
296 H GLY 41 H GLY 41 6.217 4.511 2.680
297 1HA GLY 41 2HA GLY 41 8.585 4.885 3.975
298 2HA GLY 41 1HA GLY 41 7.780 3.646 4.937
299 H CYS 42 H CYS 42 9.415 2.140 4.401
300 HA CYS 42 HA CYS 42 8.858 0.679 1.992
301 1HB CYS 42 2HB CYS 42 10.457 2.446 1.218
302 2HB CYS 42 1HB CYS 42 11.652 1.786 2.338
303 HA PRO 43 HA PRO 43 10.590 -1.710 5.631
304 1HB PRO 43 2HB PRO 43 8.352 -2.877 6.530
305 2HB PRO 43 1HB PRO 43 8.789 -1.227 7.006
306 1HG PRO 43 2HG PRO 43 6.824 -2.150 4.943
307 2HG PRO 43 1HG PRO 43 6.668 -0.843 6.135
308 1HD PRO 43 2HD PRO 43 7.339 -0.457 3.495
309 2HD PRO 43 1HD PRO 43 7.779 0.655 4.810
310 H LYS 44 H LYS 44 10.576 -4.091 5.917
311 HA LYS 44 HA LYS 44 10.304 -5.401 3.324
312 1HB LYS 44 2HB LYS 44 12.061 -5.675 5.610
313 2HB LYS 44 1HB LYS 44 11.375 -7.229 5.157
314 1HG LYS 44 2HG LYS 44 12.103 -6.667 2.780
315 2HG LYS 44 1HG LYS 44 13.070 -5.385 3.511
316 1HD LYS 44 2HD LYS 44 13.254 -8.218 4.481
317 2HD LYS 44 1HD LYS 44 14.183 -7.668 3.085
318 1HE LYS 44 2HE LYS 44 14.932 -5.746 4.647
319 2HE LYS 44 1HE LYS 44 14.370 -6.798 5.945
320 1HZ LYS 44 1HZ LYS 44 15.854 -8.515 4.612
321 2HZ LYS 44 2HZ LYS 44 16.499 -7.507 5.807
322 3HZ LYS 44 3HZ LYS 44 16.668 -7.097 4.175
323 H VAL 45 H VAL 45 9.868 -7.965 3.805
324 HA VAL 45 HA VAL 45 7.700 -8.382 5.661
325 HB VAL 45 HB VAL 45 6.146 -9.182 3.816
326 1HG1 VAL 45 1HG1 VAL 45 6.472 -6.243 3.534
327 2HG1 VAL 45 2HG1 VAL 45 6.193 -6.895 5.149
328 3HG1 VAL 45 3HG1 VAL 45 5.025 -7.196 3.862
329 1HG2 VAL 45 1HG2 VAL 45 7.701 -9.240 1.976
330 2HG2 VAL 45 2HG2 VAL 45 8.029 -7.517 2.151
331 3HG2 VAL 45 3HG2 VAL 45 6.437 -8.061 1.624
332 H LYS 46 H LYS 46 6.794 -10.643 5.404
333 HA LYS 46 HA LYS 46 8.969 -12.463 5.200
334 1HB LYS 46 2HB LYS 46 7.485 -14.086 6.145
335 2HB LYS 46 1HB LYS 46 7.214 -12.564 6.977
336 1HG LYS 46 2HG LYS 46 5.470 -12.750 4.720
337 2HG LYS 46 1HG LYS 46 5.319 -14.199 5.717
338 1HD LYS 46 2HD LYS 46 5.145 -11.368 6.749
339 2HD LYS 46 1HD LYS 46 3.755 -12.388 6.374
340 1HE LYS 46 2HE LYS 46 5.896 -13.176 8.338
341 2HE LYS 46 1HE LYS 46 4.438 -12.299 8.803
342 1HZ LYS 46 1HZ LYS 46 4.004 -14.694 7.226
343 2HZ LYS 46 2HZ LYS 46 3.169 -14.122 8.583
344 3HZ LYS 46 3HZ LYS 46 4.628 -14.956 8.778
345 HA PRO 47 HA PRO 47 8.068 -14.168 1.238
346 1HB PRO 47 2HB PRO 47 8.271 -16.902 1.727
347 2HB PRO 47 1HB PRO 47 9.603 -15.811 1.402
348 1HG PRO 47 2HG PRO 47 8.952 -17.140 3.819
349 2HG PRO 47 1HG PRO 47 10.355 -16.139 3.459
350 1HD PRO 47 2HD PRO 47 7.993 -15.487 4.994
351 2HD PRO 47 1HD PRO 47 9.499 -14.569 4.802
352 H GLY 48 H GLY 48 5.765 -13.413 1.690
353 1HA GLY 48 2HA GLY 48 3.974 -15.438 0.786
354 2HA GLY 48 1HA GLY 48 3.677 -15.040 2.477
355 H VAL 49 H VAL 49 4.292 -12.300 2.357
356 HA VAL 49 HA VAL 49 1.954 -11.326 0.872
357 HB VAL 49 HB VAL 49 3.453 -9.920 3.086
358 1HG1 VAL 49 1HG1 VAL 49 0.651 -9.258 2.641
359 2HG1 VAL 49 2HG1 VAL 49 1.675 -8.909 1.249
360 3HG1 VAL 49 3HG1 VAL 49 2.052 -8.202 2.820
361 1HG2 VAL 49 1HG2 VAL 49 2.239 -10.972 4.655
362 2HG2 VAL 49 2HG2 VAL 49 2.015 -12.210 3.418
363 3HG2 VAL 49 3HG2 VAL 49 0.780 -10.976 3.665
364 H ASN 50 H ASN 50 2.203 -10.012 -0.829
365 HA ASN 50 HA ASN 50 4.867 -9.271 -1.656
366 1HB ASN 50 2HB ASN 50 2.419 -8.319 -3.090
367 2HB ASN 50 1HB ASN 50 3.975 -8.825 -3.747
368 1HD2 ASN 50 1HD2 ASN 50 0.818 -9.777 -2.857
369 2HD2 ASN 50 2HD2 ASN 50 0.948 -11.448 -3.309
370 H LEU 51 H LEU 51 5.595 -7.167 -2.078
371 HA LEU 51 HA LEU 51 4.057 -4.873 -1.310
372 1HB LEU 51 2HB LEU 51 4.698 -5.563 0.889
373 2HB LEU 51 1HB LEU 51 6.355 -5.835 0.385
374 HG LEU 51 HG LEU 51 6.370 -3.288 -0.122
375 1HD1 LEU 51 1HD1 LEU 51 3.890 -3.110 0.206
376 2HD1 LEU 51 2HD1 LEU 51 4.857 -1.952 1.123
377 3HD1 LEU 51 3HD1 LEU 51 4.172 -3.365 1.929
378 1HD2 LEU 51 1HD2 LEU 51 6.215 -3.777 2.792
379 2HD2 LEU 51 2HD2 LEU 51 7.481 -3.010 1.833
380 3HD2 LEU 51 3HD2 LEU 51 7.341 -4.769 1.865
381 H ASN 52 H ASN 52 4.988 -2.931 -2.050
382 HA ASN 52 HA ASN 52 7.666 -3.004 -3.162
383 1HB ASN 52 2HB ASN 52 7.163 -2.773 -5.400
384 2HB ASN 52 1HB ASN 52 5.883 -3.865 -4.884
385 1HD2 ASN 52 1HD2 ASN 52 4.020 -2.337 -3.796
386 2HD2 ASN 52 2HD2 ASN 52 3.433 -1.157 -4.912
387 H CYS 53 H CYS 53 8.663 -1.125 -2.885
388 HA CYS 53 HA CYS 53 7.167 1.163 -1.927
389 1HB CYS 53 2HB CYS 53 10.141 1.068 -2.361
390 2HB CYS 53 1HB CYS 53 9.223 2.004 -1.188
391 H CYS 54 H CYS 54 7.487 3.297 -2.805
392 HA CYS 54 HA CYS 54 8.671 3.649 -5.394
393 1HB CYS 54 2HB CYS 54 6.321 4.534 -6.245
394 2HB CYS 54 1HB CYS 54 6.799 2.849 -6.455
395 H ARG 55 H ARG 55 8.762 5.739 -6.082
396 HA ARG 55 HA ARG 55 8.266 7.687 -3.954
397 1HB ARG 55 2HB ARG 55 10.245 8.499 -5.879
398 2HB ARG 55 1HB ARG 55 10.389 8.288 -4.143
399 1HG ARG 55 2HG ARG 55 10.625 5.795 -4.666
400 2HG ARG 55 1HG ARG 55 10.931 6.320 -6.325
401 1HD ARG 55 2HD ARG 55 12.518 6.893 -3.840
402 2HD ARG 55 1HD ARG 55 13.052 6.125 -5.335
403 HE ARG 55 HE ARG 55 12.222 8.694 -5.973
404 1HH1 ARG 55 1HH1 ARG 55 14.713 7.170 -4.065
405 2HH1 ARG 55 2HH1 ARG 55 15.842 8.467 -4.272
406 1HH2 ARG 55 1HH2 ARG 55 13.706 10.405 -6.247
407 2HH2 ARG 55 2HH2 ARG 55 15.270 10.304 -5.509
408 H THR 56 H THR 56 6.154 7.269 -5.643
409 HA THR 56 HA THR 56 6.132 9.783 -7.152
410 HB THR 56 HB THR 56 6.318 8.404 -8.985
411 HG1 THR 56 1HG THR 56 4.370 8.414 -9.933
412 1HG2 THR 56 1HG2 THR 56 5.689 6.299 -7.263
413 2HG2 THR 56 2HG2 THR 56 6.178 6.201 -8.953
414 3HG2 THR 56 3HG2 THR 56 4.467 6.264 -8.533
415 H ASP 57 H ASP 57 3.946 10.594 -7.579
416 HA ASP 57 HA ASP 57 2.346 10.446 -5.231
417 1HB ASP 57 2HB ASP 57 2.144 11.875 -7.857
418 2HB ASP 57 1HB ASP 57 0.738 11.817 -6.793
419 H ARG 58 H ARG 58 0.642 9.190 -4.779
420 HA ARG 58 HA ARG 58 -0.940 7.561 -4.966
421 1HB ARG 58 2HB ARG 58 -1.131 8.690 -7.767
422 2HB ARG 58 1HB ARG 58 -2.268 7.526 -7.087
423 1HG ARG 58 2HG ARG 58 -2.778 9.179 -5.294
424 2HG ARG 58 1HG ARG 58 -1.768 10.343 -6.152
425 1HD ARG 58 2HD ARG 58 -3.254 10.561 -7.886
426 2HD ARG 58 1HD ARG 58 -3.926 8.949 -7.654
427 HE ARG 58 HE ARG 58 -4.707 10.252 -5.424
428 1HH1 ARG 58 1HH1 ARG 58 -4.956 11.011 -8.822
429 2HH1 ARG 58 2HH1 ARG 58 -6.421 11.915 -8.641
430 1HH2 ARG 58 1HH2 ARG 58 -6.635 11.441 -5.185
431 2HH2 ARG 58 2HH2 ARG 58 -7.375 12.159 -6.577
432 H CYS 59 H CYS 59 1.848 6.956 -5.543
433 HA CYS 59 HA CYS 59 2.069 5.193 -7.731
434 1HB CYS 59 2HB CYS 59 4.215 4.727 -6.945
435 2HB CYS 59 1HB CYS 59 3.912 6.366 -6.376
436 H ASN 60 H ASN 60 0.939 4.783 -4.460
437 HA ASN 60 HA ASN 60 0.829 1.870 -4.802
438 1HB ASN 60 2HB ASN 60 0.187 1.895 -2.361
439 2HB ASN 60 1HB ASN 60 1.805 2.508 -2.716
440 1HD2 ASN 60 1HD2 ASN 60 1.378 3.379 -0.494
441 2HD2 ASN 60 2HD2 ASN 60 0.652 4.953 -0.394
442 H ASN 61 H ASN 61 -0.890 2.888 -6.491
443 HA ASN 61 HA ASN 61 -3.513 2.723 -5.163
444 1HB ASN 61 2HB ASN 61 -3.701 4.811 -6.060
445 2HB ASN 61 1HB ASN 61 -2.471 4.512 -7.280
446 1HD2 ASN 61 1HD2 ASN 61 -3.099 3.190 -9.116
447 2HD2 ASN 61 2HD2 ASN 61 -4.729 3.291 -9.701
Start of MODEL 13
1 1H LEU 1 1HT LEU 1 3.995 15.942 -1.315
2 2H LEU 1 2HT LEU 1 5.565 15.332 -1.650
3 3H LEU 1 3HT LEU 1 4.746 14.861 -0.216
4 HA LEU 1 HA LEU 1 3.837 14.280 -2.954
5 1HB LEU 1 2HB LEU 1 6.042 13.250 -1.916
6 2HB LEU 1 1HB LEU 1 4.899 12.246 -1.045
7 HG LEU 1 HG LEU 1 4.631 12.455 -4.008
8 1HD1 LEU 1 1HD1 LEU 1 6.421 11.180 -4.527
9 2HD1 LEU 1 2HD1 LEU 1 6.389 10.314 -2.991
10 3HD1 LEU 1 3HD1 LEU 1 7.089 11.931 -3.077
11 1HD2 LEU 1 1HD2 LEU 1 4.427 9.910 -2.528
12 2HD2 LEU 1 2HD2 LEU 1 3.403 10.570 -3.804
13 3HD2 LEU 1 3HD2 LEU 1 3.219 11.136 -2.144
14 H GLU 2 H GLU 2 1.945 13.113 -3.066
15 HA GLU 2 HA GLU 2 0.547 12.616 -0.523
16 1HB GLU 2 2HB GLU 2 -0.159 14.639 -2.128
17 2HB GLU 2 1HB GLU 2 -1.061 13.349 -2.911
18 1HG GLU 2 2HG GLU 2 -2.617 13.381 -1.338
19 2HG GLU 2 1HG GLU 2 -1.414 13.251 -0.057
20 H CYS 3 H CYS 3 0.921 10.418 -0.520
21 HA CYS 3 HA CYS 3 0.402 8.801 -2.834
22 1HB CYS 3 2HB CYS 3 0.725 7.743 -0.039
23 2HB CYS 3 1HB CYS 3 1.194 7.003 -1.567
24 H HIS 4 H HIS 4 -0.848 6.586 -1.855
25 HA HIS 4 HA HIS 4 -3.555 7.592 -1.288
26 1HB HIS 4 2HB HIS 4 -2.606 5.157 -2.797
27 2HB HIS 4 1HB HIS 4 -4.284 5.368 -2.287
28 HD1 HIS 4 1HD HIS 4 -5.389 7.716 -3.233
29 HD2 HIS 4 2HD HIS 4 -2.086 6.188 -5.240
30 HE1 HIS 4 1HE HIS 4 -5.413 8.811 -5.496
31 HE2 HIS 4 2HE HIS 4 -3.461 7.799 -6.726
32 H ASN 5 H ASN 5 -4.914 6.359 0.116
33 HA ASN 5 HA ASN 5 -3.561 4.407 1.830
34 1HB ASN 5 2HB ASN 5 -4.405 5.500 3.861
35 2HB ASN 5 1HB ASN 5 -3.328 6.573 2.962
36 1HD2 ASN 5 1HD2 ASN 5 -4.233 8.298 1.773
37 2HD2 ASN 5 2HD2 ASN 5 -5.796 8.935 2.181
38 H GLN 6 H GLN 6 -5.358 3.774 -0.136
39 HA GLN 6 HA GLN 6 -7.898 3.312 1.269
40 1HB GLN 6 2HB GLN 6 -8.686 2.632 -1.062
41 2HB GLN 6 1HB GLN 6 -8.338 4.336 -0.805
42 1HG GLN 6 2HG GLN 6 -6.215 4.120 -1.917
43 2HG GLN 6 1HG GLN 6 -6.433 2.376 -2.064
44 1HE2 GLN 6 1HE2 GLN 6 -6.797 5.324 -3.573
45 2HE2 GLN 6 2HE2 GLN 6 -7.847 4.835 -4.867
46 H GLN 7 H GLN 7 -7.665 1.488 2.445
47 HA GLN 7 HA GLN 7 -6.201 -0.783 1.467
48 1HB GLN 7 2HB GLN 7 -7.140 -1.836 3.592
49 2HB GLN 7 1HB GLN 7 -6.061 -0.467 3.796
50 1HG GLN 7 2HG GLN 7 -7.815 0.970 4.372
51 2HG GLN 7 1HG GLN 7 -9.039 -0.138 3.751
52 1HE2 GLN 7 1HE2 GLN 7 -8.678 -2.443 4.855
53 2HE2 GLN 7 2HE2 GLN 7 -8.673 -2.373 6.589
54 H SER 8 H SER 8 -6.984 -2.539 0.459
55 HA SER 8 HA SER 8 -8.424 -3.944 -0.604
56 1HB SER 8 2HB SER 8 -10.535 -3.064 1.371
57 2HB SER 8 1HB SER 8 -10.397 -4.620 0.543
58 HG SER 8 HG SER 8 -8.550 -3.608 2.450
59 H SER 9 H SER 9 -11.201 -3.750 -1.067
60 HA SER 9 HA SER 9 -11.208 -1.533 -2.965
61 1HB SER 9 2HB SER 9 -11.808 -3.976 -3.551
62 2HB SER 9 1HB SER 9 -13.344 -3.645 -2.749
63 HG SER 9 HG SER 9 -13.834 -2.160 -4.273
64 H GLN 10 H GLN 10 -11.711 -1.283 0.014
65 HA GLN 10 HA GLN 10 -14.464 -0.632 0.337
66 1HB GLN 10 2HB GLN 10 -11.986 -0.363 1.950
67 2HB GLN 10 1HB GLN 10 -13.336 0.691 2.370
68 1HG GLN 10 2HG GLN 10 -14.123 -2.077 1.973
69 2HG GLN 10 1HG GLN 10 -12.929 -1.872 3.255
70 1HE2 GLN 10 1HE2 GLN 10 -15.142 -2.781 4.180
71 2HE2 GLN 10 2HE2 GLN 10 -16.131 -1.567 4.929
72 H ALA 11 H ALA 11 -14.731 1.752 1.445
73 HA ALA 11 HA ALA 11 -14.835 3.545 -0.685
74 1HB ALA 11 1HB ALA 11 -16.153 3.596 1.485
75 2HB ALA 11 2HB ALA 11 -15.608 5.151 0.853
76 3HB ALA 11 3HB ALA 11 -14.750 4.395 2.195
77 HA PRO 12 HA PRO 12 -10.422 4.468 -1.102
78 1HB PRO 12 2HB PRO 12 -11.807 6.733 -2.504
79 2HB PRO 12 1HB PRO 12 -10.354 5.840 -2.983
80 1HG PRO 12 2HG PRO 12 -12.649 5.228 -4.114
81 2HG PRO 12 1HG PRO 12 -11.568 3.929 -3.558
82 1HD PRO 12 2HD PRO 12 -14.097 4.943 -2.329
83 2HD PRO 12 1HD PRO 12 -13.459 3.284 -2.404
84 H THR 13 H THR 13 -9.031 6.296 -0.553
85 HA THR 13 HA THR 13 -10.119 8.519 0.909
86 HB THR 13 HB THR 13 -8.490 6.456 2.407
87 HG1 THR 13 1HG THR 13 -11.187 7.232 2.792
88 1HG2 THR 13 1HG2 THR 13 -9.679 9.064 3.310
89 2HG2 THR 13 2HG2 THR 13 -7.972 8.619 3.269
90 3HG2 THR 13 3HG2 THR 13 -9.068 7.815 4.395
91 H THR 14 H THR 14 -8.853 10.199 0.493
92 HA THR 14 HA THR 14 -6.074 9.691 -0.318
93 HB THR 14 HB THR 14 -6.152 11.761 -1.527
94 HG1 THR 14 1HG THR 14 -8.640 12.153 -0.235
95 1HG2 THR 14 1HG2 THR 14 -7.199 9.971 -2.746
96 2HG2 THR 14 2HG2 THR 14 -8.063 11.479 -3.044
97 3HG2 THR 14 3HG2 THR 14 -8.736 10.280 -1.939
98 H LYS 15 H LYS 15 -4.429 10.401 0.883
99 HA LYS 15 HA LYS 15 -4.687 12.683 2.625
100 1HB LYS 15 2HB LYS 15 -5.460 10.347 3.753
101 2HB LYS 15 1HB LYS 15 -3.737 10.304 4.101
102 1HG LYS 15 2HG LYS 15 -4.545 12.891 4.755
103 2HG LYS 15 1HG LYS 15 -5.827 11.836 5.353
104 1HD LYS 15 2HD LYS 15 -2.917 11.297 5.890
105 2HD LYS 15 1HD LYS 15 -3.897 12.321 6.942
106 1HE LYS 15 2HE LYS 15 -5.056 9.699 6.251
107 2HE LYS 15 1HE LYS 15 -3.614 9.657 7.266
108 1HZ LYS 15 1HZ LYS 15 -5.020 11.558 8.483
109 2HZ LYS 15 2HZ LYS 15 -5.120 9.920 8.897
110 3HZ LYS 15 3HZ LYS 15 -6.286 10.608 7.882
111 H THR 16 H THR 16 -2.550 12.833 4.003
112 HA THR 16 HA THR 16 -0.277 11.847 2.431
113 HB THR 16 HB THR 16 -0.702 14.092 1.612
114 HG1 THR 16 1HG THR 16 1.451 13.677 1.757
115 1HG2 THR 16 1HG2 THR 16 -1.599 14.708 4.121
116 2HG2 THR 16 2HG2 THR 16 -1.267 15.861 2.828
117 3HG2 THR 16 3HG2 THR 16 -0.039 15.527 4.049
118 H CYS 17 H CYS 17 1.794 12.036 3.579
119 HA CYS 17 HA CYS 17 1.399 11.639 6.459
120 1HB CYS 17 2HB CYS 17 3.799 10.873 4.786
121 2HB CYS 17 1HB CYS 17 3.456 10.375 6.445
122 H SER 18 H SER 18 3.112 12.404 7.916
123 HA SER 18 HA SER 18 4.260 14.950 6.975
124 1HB SER 18 2HB SER 18 4.179 15.228 9.690
125 2HB SER 18 1HB SER 18 2.925 15.807 8.593
126 HG SER 18 HG SER 18 1.805 14.581 9.965
127 H GLY 19 H GLY 19 6.344 14.506 6.536
128 1HA GLY 19 2HA GLY 19 8.541 14.489 7.597
129 2HA GLY 19 1HA GLY 19 7.923 13.264 8.703
130 H GLU 20 H GLU 20 6.571 11.727 6.659
131 HA GLU 20 HA GLU 20 8.739 10.075 5.862
132 1HB GLU 20 2HB GLU 20 5.778 10.052 5.439
133 2HB GLU 20 1HB GLU 20 6.792 8.986 4.468
134 1HG GLU 20 2HG GLU 20 6.829 7.527 6.123
135 2HG GLU 20 1HG GLU 20 7.624 8.718 7.153
136 H THR 21 H THR 21 9.503 9.606 3.782
137 HA THR 21 HA THR 21 8.915 11.679 1.771
138 HB THR 21 HB THR 21 11.520 10.185 1.921
139 HG1 THR 21 1HG THR 21 11.415 11.173 3.886
140 1HG2 THR 21 1HG2 THR 21 10.472 12.368 0.332
141 2HG2 THR 21 2HG2 THR 21 11.899 11.363 0.081
142 3HG2 THR 21 3HG2 THR 21 11.988 12.776 1.132
143 H ASN 22 H ASN 22 9.385 8.270 2.382
144 HA ASN 22 HA ASN 22 8.753 7.719 -0.439
145 1HB ASN 22 2HB ASN 22 9.638 5.316 0.589
146 2HB ASN 22 1HB ASN 22 10.591 6.440 -0.382
147 1HD2 ASN 22 1HD2 ASN 22 12.537 6.158 0.498
148 2HD2 ASN 22 2HD2 ASN 22 12.921 6.495 2.155
149 H CYS 23 H CYS 23 7.225 6.132 -0.943
150 HA CYS 23 HA CYS 23 5.477 5.305 1.277
151 1HB CYS 23 2HB CYS 23 4.859 6.530 -1.364
152 2HB CYS 23 1HB CYS 23 3.767 5.284 -0.773
153 H TYR 24 H TYR 24 3.903 3.492 0.187
154 HA TYR 24 HA TYR 24 5.280 1.755 -1.627
155 1HB TYR 24 2HB TYR 24 5.555 -0.142 -0.105
156 2HB TYR 24 1HB TYR 24 6.524 1.238 0.407
157 HD1 TYR 24 1HD TYR 24 3.636 -0.875 1.199
158 HD2 TYR 24 2HD TYR 24 6.006 2.424 2.461
159 HE1 TYR 24 1HE TYR 24 2.629 -1.014 3.439
160 HE2 TYR 24 2HE TYR 24 5.007 2.293 4.702
161 HH TYR 24 HH TYR 24 3.649 -0.117 5.974
162 H LYS 25 H LYS 25 4.158 -0.508 -1.542
163 HA LYS 25 HA LYS 25 1.346 -0.423 -0.888
164 1HB LYS 25 2HB LYS 25 1.757 0.662 -3.238
165 2HB LYS 25 1HB LYS 25 1.996 -1.007 -3.757
166 1HG LYS 25 2HG LYS 25 -0.262 -1.487 -2.688
167 2HG LYS 25 1HG LYS 25 -0.479 0.263 -2.649
168 1HD LYS 25 2HD LYS 25 -0.669 0.426 -4.915
169 2HD LYS 25 1HD LYS 25 0.397 -0.948 -5.211
170 1HE LYS 25 2HE LYS 25 -1.448 -2.114 -5.662
171 2HE LYS 25 1HE LYS 25 -1.770 -2.080 -3.930
172 1HZ LYS 25 1HZ LYS 25 -3.582 -0.902 -4.332
173 2HZ LYS 25 2HZ LYS 25 -3.265 -0.922 -5.993
174 3HZ LYS 25 3HZ LYS 25 -2.662 0.333 -5.033
175 H LYS 26 H LYS 26 0.758 -2.404 -0.251
176 HA LYS 26 HA LYS 26 2.365 -4.672 -1.222
177 1HB LYS 26 2HB LYS 26 1.806 -5.748 1.008
178 2HB LYS 26 1HB LYS 26 2.971 -4.446 1.021
179 1HG LYS 26 2HG LYS 26 0.569 -3.160 1.450
180 2HG LYS 26 1HG LYS 26 0.424 -4.661 2.362
181 1HD LYS 26 2HD LYS 26 2.773 -2.783 2.562
182 2HD LYS 26 1HD LYS 26 1.391 -2.760 3.658
183 1HE LYS 26 2HE LYS 26 3.455 -4.908 3.284
184 2HE LYS 26 1HE LYS 26 3.031 -4.036 4.757
185 1HZ LYS 26 1HZ LYS 26 2.101 -6.199 4.898
186 2HZ LYS 26 2HZ LYS 26 1.410 -6.089 3.358
187 3HZ LYS 26 3HZ LYS 26 0.816 -5.133 4.620
188 H TRP 27 H TRP 27 1.328 -6.731 -1.183
189 HA TRP 27 HA TRP 27 -1.514 -6.888 -0.919
190 1HB TRP 27 2HB TRP 27 -1.884 -7.660 -3.287
191 2HB TRP 27 1HB TRP 27 -1.607 -5.954 -3.088
192 HD1 TRP 27 HD TRP 27 -0.304 -8.955 -4.750
193 HE1 TRP 27 1HE TRP 27 1.684 -8.352 -6.247
194 HE3 TRP 27 3HE TRP 27 0.463 -4.156 -3.188
195 HZ2 TRP 27 2HZ TRP 27 3.371 -6.140 -6.717
196 HZ3 TRP 27 3HZ TRP 27 2.282 -2.866 -4.214
197 HH2 TRP 27 HH TRP 27 3.706 -3.834 -5.942
198 H TRP 28 H TRP 28 -2.336 -8.986 -1.160
199 HA TRP 28 HA TRP 28 -0.453 -11.162 -1.575
200 1HB TRP 28 2HB TRP 28 -1.014 -12.188 0.639
201 2HB TRP 28 1HB TRP 28 -0.102 -10.687 0.772
202 HD1 TRP 28 HD TRP 28 -3.399 -12.230 1.648
203 HE1 TRP 28 1HE TRP 28 -4.730 -10.579 3.061
204 HE3 TRP 28 3HE TRP 28 -0.457 -8.086 1.114
205 HZ2 TRP 28 2HZ TRP 28 -4.594 -7.889 3.886
206 HZ3 TRP 28 3HZ TRP 28 -1.128 -6.011 2.255
207 HH2 TRP 28 HH TRP 28 -3.157 -5.917 3.611
208 H SER 29 H SER 29 -1.810 -13.305 -0.827
209 HA SER 29 HA SER 29 -4.524 -13.013 -1.919
210 1HB SER 29 2HB SER 29 -2.485 -14.076 -3.390
211 2HB SER 29 1HB SER 29 -3.151 -15.524 -2.626
212 HG SER 29 HG SER 29 -5.254 -14.652 -3.388
213 H ASP 30 H ASP 30 -5.981 -13.769 -0.562
214 HA ASP 30 HA ASP 30 -5.654 -16.295 0.763
215 1HB ASP 30 2HB ASP 30 -6.219 -15.178 3.045
216 2HB ASP 30 1HB ASP 30 -4.545 -15.207 2.491
217 H HIS 31 H HIS 31 -7.593 -16.933 1.948
218 HA HIS 31 HA HIS 31 -9.835 -17.399 1.745
219 1HB HIS 31 2HB HIS 31 -11.250 -15.411 2.468
220 2HB HIS 31 1HB HIS 31 -9.964 -15.895 3.567
221 HD1 HIS 31 1HD HIS 31 -10.735 -13.243 0.979
222 HD2 HIS 31 2HD HIS 31 -8.164 -13.926 4.170
223 HE1 HIS 31 1HE HIS 31 -9.540 -11.064 1.358
224 HE2 HIS 31 2HE HIS 31 -8.074 -11.470 3.366
225 H ARG 32 H ARG 32 -9.676 -17.808 -0.572
226 HA ARG 32 HA ARG 32 -9.983 -17.315 -2.812
227 1HB ARG 32 2HB ARG 32 -12.767 -16.706 -2.004
228 2HB ARG 32 1HB ARG 32 -12.159 -17.828 -3.213
229 1HG ARG 32 2HG ARG 32 -11.636 -19.454 -1.579
230 2HG ARG 32 1HG ARG 32 -11.890 -18.307 -0.262
231 1HD ARG 32 2HD ARG 32 -14.226 -18.554 -1.966
232 2HD ARG 32 1HD ARG 32 -13.741 -20.100 -1.275
233 HE ARG 32 HE ARG 32 -14.216 -19.290 0.852
234 1HH1 ARG 32 1HH1 ARG 32 -14.664 -16.791 -1.551
235 2HH1 ARG 32 2HH1 ARG 32 -15.532 -15.747 -0.477
236 1HH2 ARG 32 1HH2 ARG 32 -15.355 -17.913 2.258
237 2HH2 ARG 32 2HH2 ARG 32 -15.922 -16.380 1.681
238 H GLY 33 H GLY 33 -8.796 -15.059 -2.101
239 1HA GLY 33 2HA GLY 33 -9.893 -13.128 -3.841
240 2HA GLY 33 1HA GLY 33 -10.267 -12.678 -2.179
241 H THR 34 H THR 34 -8.854 -10.874 -3.408
242 HA THR 34 HA THR 34 -6.098 -11.272 -2.445
243 HB THR 34 HB THR 34 -6.695 -9.429 -4.730
244 HG1 THR 34 1HG THR 34 -7.527 -11.309 -5.505
245 1HG2 THR 34 1HG2 THR 34 -4.425 -9.625 -3.546
246 2HG2 THR 34 2HG2 THR 34 -4.470 -9.660 -5.308
247 3HG2 THR 34 3HG2 THR 34 -4.284 -11.161 -4.401
248 H ILE 35 H ILE 35 -5.023 -9.363 -1.672
249 HA ILE 35 HA ILE 35 -6.792 -7.090 -1.089
250 HB ILE 35 HB ILE 35 -4.973 -8.311 0.983
251 1HG1 ILE 35 2HG1 ILE 35 -7.984 -8.517 0.746
252 2HG1 ILE 35 1HG1 ILE 35 -6.849 -9.827 0.437
253 1HG2 ILE 35 1HG2 ILE 35 -6.512 -6.853 2.458
254 2HG2 ILE 35 2HG2 ILE 35 -6.895 -6.018 0.953
255 3HG2 ILE 35 3HG2 ILE 35 -5.230 -6.071 1.532
256 1HD1 ILE 35 1HD1 ILE 35 -8.103 -9.320 2.810
257 2HD1 ILE 35 2HD1 ILE 35 -6.509 -8.606 3.057
258 3HD1 ILE 35 3HD1 ILE 35 -6.654 -10.304 2.600
259 H ILE 36 H ILE 36 -5.779 -5.099 -0.852
260 HA ILE 36 HA ILE 36 -2.874 -4.981 -1.225
261 HB ILE 36 HB ILE 36 -3.064 -3.304 -2.991
262 1HG1 ILE 36 2HG1 ILE 36 -6.037 -3.842 -2.794
263 2HG1 ILE 36 1HG1 ILE 36 -5.218 -2.328 -2.430
264 1HG2 ILE 36 1HG2 ILE 36 -2.964 -4.942 -4.487
265 2HG2 ILE 36 2HG2 ILE 36 -4.697 -5.238 -4.353
266 3HG2 ILE 36 3HG2 ILE 36 -3.578 -6.045 -3.255
267 1HD1 ILE 36 1HD1 ILE 36 -4.434 -2.596 -4.950
268 2HD1 ILE 36 2HD1 ILE 36 -5.965 -1.840 -4.507
269 3HD1 ILE 36 3HD1 ILE 36 -5.933 -3.521 -5.036
270 H GLU 37 H GLU 37 -1.960 -3.451 0.098
271 HA GLU 37 HA GLU 37 -3.714 -1.289 1.053
272 1HB GLU 37 2HB GLU 37 -1.978 -1.636 3.139
273 2HB GLU 37 1HB GLU 37 -3.626 -2.260 3.072
274 1HG GLU 37 2HG GLU 37 -2.907 -4.398 2.489
275 2HG GLU 37 1HG GLU 37 -1.304 -3.837 2.031
276 H ARG 38 H ARG 38 -2.499 0.565 1.981
277 HA ARG 38 HA ARG 38 -0.024 1.029 0.450
278 1HB ARG 38 2HB ARG 38 -1.659 3.313 1.454
279 2HB ARG 38 1HB ARG 38 -0.657 3.203 0.016
280 1HG ARG 38 2HG ARG 38 -3.039 1.474 0.023
281 2HG ARG 38 1HG ARG 38 -3.351 3.210 -0.003
282 1HD ARG 38 2HD ARG 38 -1.983 3.469 -1.970
283 2HD ARG 38 1HD ARG 38 -1.509 1.773 -1.906
284 HE ARG 38 HE ARG 38 -3.889 2.833 -3.042
285 1HH1 ARG 38 1HH1 ARG 38 -2.619 0.068 -1.333
286 2HH1 ARG 38 2HH1 ARG 38 -3.805 -1.024 -1.964
287 1HH2 ARG 38 1HH2 ARG 38 -5.452 1.398 -3.872
288 2HH2 ARG 38 2HH2 ARG 38 -5.412 -0.270 -3.407
289 H GLY 39 H GLY 39 0.872 3.327 1.615
290 1HA GLY 39 2HA GLY 39 0.861 3.609 4.345
291 2HA GLY 39 1HA GLY 39 2.023 2.329 4.041
292 H CYS 40 H CYS 40 3.321 4.119 5.172
293 HA CYS 40 HA CYS 40 4.577 5.755 3.075
294 1HB CYS 40 2HB CYS 40 3.333 6.631 5.567
295 2HB CYS 40 1HB CYS 40 5.003 7.179 5.416
296 H GLY 41 H GLY 41 6.299 4.370 2.794
297 1HA GLY 41 2HA GLY 41 8.615 4.682 4.153
298 2HA GLY 41 1HA GLY 41 7.813 3.398 5.058
299 H CYS 42 H CYS 42 9.410 1.885 4.510
300 HA CYS 42 HA CYS 42 8.937 0.550 2.015
301 1HB CYS 42 2HB CYS 42 10.570 2.297 1.344
302 2HB CYS 42 1HB CYS 42 11.711 1.652 2.528
303 HA PRO 43 HA PRO 43 10.446 -2.042 5.606
304 1HB PRO 43 2HB PRO 43 8.155 -3.258 6.279
305 2HB PRO 43 1HB PRO 43 8.550 -1.635 6.872
306 1HG PRO 43 2HG PRO 43 6.741 -2.448 4.627
307 2HG PRO 43 1HG PRO 43 6.494 -1.207 5.875
308 1HD PRO 43 2HD PRO 43 7.349 -0.675 3.315
309 2HD PRO 43 1HD PRO 43 7.691 0.362 4.718
310 H LYS 44 H LYS 44 9.610 -4.560 5.886
311 HA LYS 44 HA LYS 44 10.001 -5.717 3.212
312 1HB LYS 44 2HB LYS 44 11.028 -6.355 5.880
313 2HB LYS 44 1HB LYS 44 10.439 -7.762 5.005
314 1HG LYS 44 2HG LYS 44 12.720 -7.613 4.495
315 2HG LYS 44 1HG LYS 44 11.882 -6.992 3.072
316 1HD LYS 44 2HD LYS 44 12.676 -4.896 3.359
317 2HD LYS 44 1HD LYS 44 12.572 -4.988 5.118
318 1HE LYS 44 2HE LYS 44 14.658 -6.464 3.532
319 2HE LYS 44 1HE LYS 44 14.901 -4.822 4.127
320 1HZ LYS 44 1HZ LYS 44 15.126 -5.526 6.239
321 2HZ LYS 44 2HZ LYS 44 15.561 -6.988 5.508
322 3HZ LYS 44 3HZ LYS 44 13.986 -6.767 6.083
323 H VAL 45 H VAL 45 9.210 -8.269 3.530
324 HA VAL 45 HA VAL 45 6.505 -8.283 4.619
325 HB VAL 45 HB VAL 45 5.691 -9.340 2.430
326 1HG1 VAL 45 1HG1 VAL 45 6.344 -6.426 2.160
327 2HG1 VAL 45 2HG1 VAL 45 5.209 -7.003 3.379
328 3HG1 VAL 45 3HG1 VAL 45 4.885 -7.286 1.668
329 1HG2 VAL 45 1HG2 VAL 45 7.998 -9.547 1.479
330 2HG2 VAL 45 2HG2 VAL 45 8.011 -7.795 1.286
331 3HG2 VAL 45 3HG2 VAL 45 6.829 -8.769 0.411
332 H LYS 46 H LYS 46 5.541 -10.446 4.623
333 HA LYS 46 HA LYS 46 7.474 -12.414 5.323
334 1HB LYS 46 2HB LYS 46 4.493 -12.234 5.434
335 2HB LYS 46 1HB LYS 46 5.274 -13.793 5.640
336 1HG LYS 46 2HG LYS 46 5.933 -11.373 7.297
337 2HG LYS 46 1HG LYS 46 4.735 -12.584 7.758
338 1HD LYS 46 2HD LYS 46 7.275 -13.771 6.985
339 2HD LYS 46 1HD LYS 46 7.440 -12.648 8.336
340 1HE LYS 46 2HE LYS 46 6.241 -13.954 9.743
341 2HE LYS 46 1HE LYS 46 5.165 -14.524 8.469
342 1HZ LYS 46 1HZ LYS 46 7.217 -15.811 7.670
343 2HZ LYS 46 2HZ LYS 46 6.387 -16.392 9.025
344 3HZ LYS 46 3HZ LYS 46 7.832 -15.534 9.222
345 HA PRO 47 HA PRO 47 7.618 -14.849 1.676
346 1HB PRO 47 2HB PRO 47 6.995 -17.384 2.815
347 2HB PRO 47 1HB PRO 47 8.575 -16.725 2.441
348 1HG PRO 47 2HG PRO 47 7.425 -17.149 4.971
349 2HG PRO 47 1HG PRO 47 9.006 -16.469 4.594
350 1HD PRO 47 2HD PRO 47 6.661 -15.135 5.564
351 2HD PRO 47 1HD PRO 47 8.280 -14.476 5.270
352 H GLY 48 H GLY 48 5.701 -13.928 0.767
353 1HA GLY 48 2HA GLY 48 3.912 -15.531 -0.405
354 2HA GLY 48 1HA GLY 48 3.173 -15.303 1.177
355 H VAL 49 H VAL 49 3.469 -12.794 1.801
356 HA VAL 49 HA VAL 49 1.773 -11.410 -0.062
357 HB VAL 49 HB VAL 49 1.301 -11.152 2.269
358 1HG1 VAL 49 1HG1 VAL 49 4.193 -10.718 2.462
359 2HG1 VAL 49 2HG1 VAL 49 3.067 -11.440 3.611
360 3HG1 VAL 49 3HG1 VAL 49 3.207 -9.686 3.498
361 1HG2 VAL 49 1HG2 VAL 49 2.537 -8.516 1.555
362 2HG2 VAL 49 2HG2 VAL 49 1.023 -8.843 2.398
363 3HG2 VAL 49 3HG2 VAL 49 1.150 -9.142 0.666
364 H ASN 50 H ASN 50 2.347 -9.901 -1.511
365 HA ASN 50 HA ASN 50 5.177 -9.316 -1.831
366 1HB ASN 50 2HB ASN 50 2.915 -8.426 -3.621
367 2HB ASN 50 1HB ASN 50 4.630 -8.544 -4.023
368 1HD2 ASN 50 1HD2 ASN 50 1.637 -10.144 -3.904
369 2HD2 ASN 50 2HD2 ASN 50 2.184 -11.707 -4.430
370 H LEU 51 H LEU 51 5.905 -7.132 -2.322
371 HA LEU 51 HA LEU 51 4.305 -4.888 -1.524
372 1HB LEU 51 2HB LEU 51 4.870 -5.555 0.674
373 2HB LEU 51 1HB LEU 51 6.520 -5.933 0.222
374 HG LEU 51 HG LEU 51 6.751 -3.400 -0.242
375 1HD1 LEU 51 1HD1 LEU 51 4.562 -3.154 1.771
376 2HD1 LEU 51 2HD1 LEU 51 4.181 -3.188 0.050
377 3HD1 LEU 51 3HD1 LEU 51 5.240 -1.934 0.695
378 1HD2 LEU 51 1HD2 LEU 51 7.559 -4.905 1.747
379 2HD2 LEU 51 2HD2 LEU 51 6.367 -3.973 2.652
380 3HD2 LEU 51 3HD2 LEU 51 7.691 -3.148 1.830
381 H ASN 52 H ASN 52 5.243 -2.901 -2.147
382 HA ASN 52 HA ASN 52 7.934 -2.904 -3.227
383 1HB ASN 52 2HB ASN 52 7.431 -2.483 -5.462
384 2HB ASN 52 1HB ASN 52 6.251 -3.714 -5.027
385 1HD2 ASN 52 1HD2 ASN 52 4.276 -2.425 -3.824
386 2HD2 ASN 52 2HD2 ASN 52 3.582 -1.224 -4.854
387 H CYS 53 H CYS 53 8.897 -1.046 -2.770
388 HA CYS 53 HA CYS 53 7.335 1.178 -1.770
389 1HB CYS 53 2HB CYS 53 10.308 1.285 -2.058
390 2HB CYS 53 1HB CYS 53 9.278 1.927 -0.784
391 H CYS 54 H CYS 54 7.570 3.337 -2.547
392 HA CYS 54 HA CYS 54 8.935 3.879 -5.011
393 1HB CYS 54 2HB CYS 54 6.703 4.667 -6.090
394 2HB CYS 54 1HB CYS 54 7.153 2.964 -6.187
395 H ARG 55 H ARG 55 8.899 6.001 -5.634
396 HA ARG 55 HA ARG 55 8.082 7.852 -3.515
397 1HB ARG 55 2HB ARG 55 10.259 8.840 -5.083
398 2HB ARG 55 1HB ARG 55 10.197 8.499 -3.362
399 1HG ARG 55 2HG ARG 55 10.702 6.112 -3.912
400 2HG ARG 55 1HG ARG 55 10.989 6.635 -5.577
401 1HD ARG 55 2HD ARG 55 13.053 7.261 -5.046
402 2HD ARG 55 1HD ARG 55 12.429 8.352 -3.811
403 HE ARG 55 HE ARG 55 12.353 5.944 -2.591
404 1HH1 ARG 55 1HH1 ARG 55 14.862 7.666 -4.300
405 2HH1 ARG 55 2HH1 ARG 55 16.146 6.967 -3.372
406 1HH2 ARG 55 1HH2 ARG 55 14.042 5.025 -1.369
407 2HH2 ARG 55 2HH2 ARG 55 15.682 5.467 -1.709
408 H THR 56 H THR 56 6.513 7.132 -5.843
409 HA THR 56 HA THR 56 6.560 9.688 -7.311
410 HB THR 56 HB THR 56 5.121 7.356 -8.457
411 HG1 THR 56 1HG THR 56 7.001 6.336 -7.883
412 1HG2 THR 56 1HG2 THR 56 6.762 9.613 -9.536
413 2HG2 THR 56 2HG2 THR 56 5.070 9.223 -9.843
414 3HG2 THR 56 3HG2 THR 56 6.346 8.212 -10.522
415 H ASP 57 H ASP 57 4.550 10.666 -7.817
416 HA ASP 57 HA ASP 57 2.651 10.580 -5.737
417 1HB ASP 57 2HB ASP 57 3.250 12.389 -7.652
418 2HB ASP 57 1HB ASP 57 1.786 11.686 -8.346
419 H ARG 58 H ARG 58 0.990 9.263 -5.402
420 HA ARG 58 HA ARG 58 -0.618 7.685 -5.709
421 1HB ARG 58 2HB ARG 58 -0.574 8.688 -8.564
422 2HB ARG 58 1HB ARG 58 -1.828 7.672 -7.856
423 1HG ARG 58 2HG ARG 58 -2.298 9.489 -6.229
424 2HG ARG 58 1HG ARG 58 -1.144 10.503 -7.097
425 1HD ARG 58 2HD ARG 58 -2.498 10.695 -8.948
426 2HD ARG 58 1HD ARG 58 -3.345 9.185 -8.615
427 HE ARG 58 HE ARG 58 -3.825 11.230 -6.656
428 1HH1 ARG 58 1HH1 ARG 58 -4.824 9.934 -9.738
429 2HH1 ARG 58 2HH1 ARG 58 -6.425 10.586 -9.634
430 1HH2 ARG 58 1HH2 ARG 58 -5.930 12.088 -6.517
431 2HH2 ARG 58 2HH2 ARG 58 -7.053 11.810 -7.807
432 H CYS 59 H CYS 59 2.206 7.014 -6.065
433 HA CYS 59 HA CYS 59 2.531 5.200 -8.203
434 1HB CYS 59 2HB CYS 59 4.573 4.584 -7.154
435 2HB CYS 59 1HB CYS 59 4.358 6.305 -6.850
436 H ASN 60 H ASN 60 1.169 4.915 -5.009
437 HA ASN 60 HA ASN 60 0.999 2.002 -5.254
438 1HB ASN 60 2HB ASN 60 0.177 2.109 -2.897
439 2HB ASN 60 1HB ASN 60 1.796 2.777 -3.115
440 1HD2 ASN 60 1HD2 ASN 60 1.228 3.753 -1.016
441 2HD2 ASN 60 2HD2 ASN 60 0.393 5.276 -1.026
442 H ASN 61 H ASN 61 -0.623 3.940 -6.854
443 HA ASN 61 HA ASN 61 -3.271 3.976 -5.901
444 1HB ASN 61 2HB ASN 61 -3.851 4.875 -7.964
445 2HB ASN 61 1HB ASN 61 -2.160 5.327 -7.825
446 1HD2 ASN 61 1HD2 ASN 61 -1.065 2.786 -8.433
447 2HD2 ASN 61 2HD2 ASN 61 -1.350 2.480 -10.116
Start of MODEL 14
1 1H LEU 1 1HT LEU 1 3.946 12.936 1.369
2 2H LEU 1 2HT LEU 1 3.651 14.358 0.454
3 3H LEU 1 3HT LEU 1 5.137 13.517 0.283
4 HA LEU 1 HA LEU 1 3.462 13.213 -1.509
5 1HB LEU 1 2HB LEU 1 5.396 11.603 -0.394
6 2HB LEU 1 1HB LEU 1 4.007 10.534 -0.450
7 HG LEU 1 HG LEU 1 4.523 12.025 -2.939
8 1HD1 LEU 1 1HD1 LEU 1 6.330 9.717 -2.341
9 2HD1 LEU 1 2HD1 LEU 1 6.808 11.365 -1.934
10 3HD1 LEU 1 3HD1 LEU 1 6.455 10.937 -3.608
11 1HD2 LEU 1 1HD2 LEU 1 3.834 9.197 -2.183
12 2HD2 LEU 1 2HD2 LEU 1 4.155 9.696 -3.843
13 3HD2 LEU 1 3HD2 LEU 1 2.805 10.402 -2.956
14 H GLU 2 H GLU 2 1.353 13.030 -1.845
15 HA GLU 2 HA GLU 2 -0.374 12.008 0.254
16 1HB GLU 2 2HB GLU 2 -0.988 14.083 -0.892
17 2HB GLU 2 1HB GLU 2 -1.036 13.231 -2.430
18 1HG GLU 2 2HG GLU 2 -2.832 11.772 -1.410
19 2HG GLU 2 1HG GLU 2 -2.889 12.937 -0.088
20 H CYS 3 H CYS 3 0.125 9.781 0.191
21 HA CYS 3 HA CYS 3 -0.214 8.274 -2.230
22 1HB CYS 3 2HB CYS 3 -0.128 7.044 0.505
23 2HB CYS 3 1HB CYS 3 0.512 6.430 -1.016
24 H HIS 4 H HIS 4 -1.666 6.295 -2.163
25 HA HIS 4 HA HIS 4 -4.322 7.127 -1.218
26 1HB HIS 4 2HB HIS 4 -3.570 5.135 -3.370
27 2HB HIS 4 1HB HIS 4 -5.217 5.575 -2.911
28 HD1 HIS 4 1HD HIS 4 -5.677 8.302 -3.195
29 HD2 HIS 4 2HD HIS 4 -2.637 6.584 -5.447
30 HE1 HIS 4 1HE HIS 4 -5.262 9.900 -5.090
31 HE2 HIS 4 2HE HIS 4 -3.525 8.767 -6.516
32 H ASN 5 H ASN 5 -4.251 6.348 0.880
33 HA ASN 5 HA ASN 5 -3.524 3.596 1.392
34 1HB ASN 5 2HB ASN 5 -4.007 4.126 3.739
35 2HB ASN 5 1HB ASN 5 -2.951 5.347 3.020
36 1HD2 ASN 5 1HD2 ASN 5 -4.823 5.425 5.318
37 2HD2 ASN 5 2HD2 ASN 5 -5.874 6.769 4.997
38 H GLN 6 H GLN 6 -5.428 3.287 -0.344
39 HA GLN 6 HA GLN 6 -8.008 3.056 1.002
40 1HB GLN 6 2HB GLN 6 -8.893 2.510 -1.216
41 2HB GLN 6 1HB GLN 6 -7.984 4.015 -1.245
42 1HG GLN 6 2HG GLN 6 -6.152 1.974 -1.848
43 2HG GLN 6 1HG GLN 6 -7.605 1.637 -2.786
44 1HE2 GLN 6 1HE2 GLN 6 -8.478 4.265 -3.171
45 2HE2 GLN 6 2HE2 GLN 6 -7.360 5.064 -4.232
46 H GLN 7 H GLN 7 -8.178 1.290 2.240
47 HA GLN 7 HA GLN 7 -6.847 -1.170 1.586
48 1HB GLN 7 2HB GLN 7 -8.154 -1.989 3.618
49 2HB GLN 7 1HB GLN 7 -6.967 -0.726 3.892
50 1HG GLN 7 2HG GLN 7 -8.589 0.898 4.225
51 2HG GLN 7 1HG GLN 7 -9.838 -0.044 3.413
52 1HE2 GLN 7 1HE2 GLN 7 -8.931 1.065 6.306
53 2HE2 GLN 7 2HE2 GLN 7 -9.602 -0.158 7.339
54 H SER 8 H SER 8 -7.877 -3.174 1.162
55 HA SER 8 HA SER 8 -9.350 -4.547 0.106
56 1HB SER 8 2HB SER 8 -10.869 -3.067 1.980
57 2HB SER 8 1HB SER 8 -11.827 -3.134 0.496
58 HG SER 8 HG SER 8 -12.079 -5.220 0.748
59 H SER 9 H SER 9 -11.723 -4.013 -1.289
60 HA SER 9 HA SER 9 -10.624 -2.769 -3.656
61 1HB SER 9 2HB SER 9 -13.023 -4.433 -3.035
62 2HB SER 9 1HB SER 9 -13.065 -3.419 -4.478
63 HG SER 9 HG SER 9 -11.709 -4.723 -5.414
64 H GLN 10 H GLN 10 -13.927 -2.457 -2.389
65 HA GLN 10 HA GLN 10 -14.149 0.217 -3.359
66 1HB GLN 10 2HB GLN 10 -15.899 -1.700 -1.916
67 2HB GLN 10 1HB GLN 10 -16.308 0.011 -1.799
68 1HG GLN 10 2HG GLN 10 -15.710 -0.835 -4.512
69 2HG GLN 10 1HG GLN 10 -17.059 -1.717 -3.794
70 1HE2 GLN 10 1HE2 GLN 10 -18.090 -0.512 -5.653
71 2HE2 GLN 10 2HE2 GLN 10 -18.757 1.050 -5.290
72 H ALA 11 H ALA 11 -15.374 1.742 -1.591
73 HA ALA 11 HA ALA 11 -15.133 3.124 0.198
74 1HB ALA 11 1HB ALA 11 -14.995 0.713 1.315
75 2HB ALA 11 2HB ALA 11 -14.755 2.197 2.237
76 3HB ALA 11 3HB ALA 11 -13.362 1.269 1.683
77 HA PRO 12 HA PRO 12 -10.903 4.081 -1.731
78 1HB PRO 12 2HB PRO 12 -12.477 6.621 -1.908
79 2HB PRO 12 1HB PRO 12 -11.293 5.950 -3.041
80 1HG PRO 12 2HG PRO 12 -13.841 5.703 -3.611
81 2HG PRO 12 1HG PRO 12 -12.768 4.293 -3.789
82 1HD PRO 12 2HD PRO 12 -14.711 4.921 -1.586
83 2HD PRO 12 1HD PRO 12 -14.405 3.372 -2.410
84 H THR 13 H THR 13 -9.311 5.538 -0.899
85 HA THR 13 HA THR 13 -9.903 7.228 1.347
86 HB THR 13 HB THR 13 -8.131 4.834 1.847
87 HG1 THR 13 1HG THR 13 -10.753 5.271 2.825
88 1HG2 THR 13 1HG2 THR 13 -9.283 6.868 3.740
89 2HG2 THR 13 2HG2 THR 13 -7.594 6.737 3.252
90 3HG2 THR 13 3HG2 THR 13 -8.342 5.446 4.193
91 H THR 14 H THR 14 -8.210 8.630 1.865
92 HA THR 14 HA THR 14 -5.684 8.325 0.438
93 HB THR 14 HB THR 14 -5.777 10.554 -0.524
94 HG1 THR 14 1HG THR 14 -8.370 10.684 0.613
95 1HG2 THR 14 1HG2 THR 14 -7.051 10.094 -2.327
96 2HG2 THR 14 2HG2 THR 14 -8.436 9.585 -1.362
97 3HG2 THR 14 3HG2 THR 14 -7.072 8.492 -1.591
98 H LYS 15 H LYS 15 -3.975 9.597 1.283
99 HA LYS 15 HA LYS 15 -4.425 11.303 3.558
100 1HB LYS 15 2HB LYS 15 -4.223 8.628 4.133
101 2HB LYS 15 1HB LYS 15 -2.556 9.162 4.302
102 1HG LYS 15 2HG LYS 15 -3.222 10.836 5.918
103 2HG LYS 15 1HG LYS 15 -4.918 10.398 5.705
104 1HD LYS 15 2HD LYS 15 -4.723 8.500 6.935
105 2HD LYS 15 1HD LYS 15 -3.061 8.208 6.417
106 1HE LYS 15 2HE LYS 15 -2.612 10.381 7.854
107 2HE LYS 15 1HE LYS 15 -4.096 9.871 8.656
108 1HZ LYS 15 1HZ LYS 15 -3.092 8.096 9.576
109 2HZ LYS 15 2HZ LYS 15 -1.683 9.003 9.346
110 3HZ LYS 15 3HZ LYS 15 -2.104 7.799 8.235
111 H THR 16 H THR 16 -2.189 11.904 4.551
112 HA THR 16 HA THR 16 -0.053 11.835 2.561
113 HB THR 16 HB THR 16 -0.570 14.501 3.755
114 HG1 THR 16 1HG THR 16 -2.196 13.357 1.743
115 1HG2 THR 16 1HG2 THR 16 1.260 13.848 2.058
116 2HG2 THR 16 2HG2 THR 16 0.366 15.350 1.829
117 3HG2 THR 16 3HG2 THR 16 -0.046 13.925 0.875
118 H CYS 17 H CYS 17 2.005 12.087 3.404
119 HA CYS 17 HA CYS 17 2.153 12.146 6.347
120 1HB CYS 17 2HB CYS 17 4.123 10.849 4.454
121 2HB CYS 17 1HB CYS 17 4.104 10.729 6.215
122 H SER 18 H SER 18 2.944 13.994 7.096
123 HA SER 18 HA SER 18 4.395 15.826 5.456
124 1HB SER 18 2HB SER 18 4.747 16.861 7.908
125 2HB SER 18 1HB SER 18 3.232 17.024 7.021
126 HG SER 18 HG SER 18 3.792 15.603 9.299
127 H GLY 19 H GLY 19 5.250 13.533 7.992
128 1HA GLY 19 2HA GLY 19 8.015 14.374 8.052
129 2HA GLY 19 1HA GLY 19 7.315 13.005 8.915
130 H GLU 20 H GLU 20 6.395 11.328 7.126
131 HA GLU 20 HA GLU 20 8.662 10.120 6.019
132 1HB GLU 20 2HB GLU 20 5.708 9.710 5.606
133 2HB GLU 20 1HB GLU 20 6.906 8.734 4.763
134 1HG GLU 20 2HG GLU 20 7.111 8.976 7.715
135 2HG GLU 20 1HG GLU 20 5.839 7.959 7.039
136 H THR 21 H THR 21 8.304 9.331 3.509
137 HA THR 21 HA THR 21 7.775 11.682 1.861
138 HB THR 21 HB THR 21 10.349 10.146 1.566
139 HG1 THR 21 1HG THR 21 11.270 11.443 2.945
140 1HG2 THR 21 1HG2 THR 21 9.857 12.944 0.655
141 2HG2 THR 21 2HG2 THR 21 9.353 11.575 -0.337
142 3HG2 THR 21 3HG2 THR 21 11.052 11.774 0.095
143 H ASN 22 H ASN 22 8.910 8.316 1.753
144 HA ASN 22 HA ASN 22 7.432 7.961 -0.752
145 1HB ASN 22 2HB ASN 22 8.756 5.690 -0.650
146 2HB ASN 22 1HB ASN 22 9.548 7.168 -1.189
147 1HD2 ASN 22 1HD2 ASN 22 8.873 5.369 1.779
148 2HD2 ASN 22 2HD2 ASN 22 10.429 5.632 2.501
149 H CYS 23 H CYS 23 6.261 5.955 -1.090
150 HA CYS 23 HA CYS 23 5.107 4.857 1.386
151 1HB CYS 23 2HB CYS 23 3.819 6.015 -1.022
152 2HB CYS 23 1HB CYS 23 3.083 4.554 -0.370
153 H TYR 24 H TYR 24 3.596 2.824 0.400
154 HA TYR 24 HA TYR 24 5.167 1.313 -1.509
155 1HB TYR 24 2HB TYR 24 5.188 -0.660 0.152
156 2HB TYR 24 1HB TYR 24 6.386 0.618 0.332
157 HD1 TYR 24 1HD TYR 24 6.808 1.259 2.504
158 HD2 TYR 24 2HD TYR 24 2.889 -0.041 1.491
159 HE1 TYR 24 1HE TYR 24 6.102 1.597 4.834
160 HE2 TYR 24 2HE TYR 24 2.171 0.292 3.819
161 HH TYR 24 HH TYR 24 3.094 0.450 6.028
162 H LYS 25 H LYS 25 4.195 -0.617 -2.218
163 HA LYS 25 HA LYS 25 1.306 -0.774 -1.724
164 1HB LYS 25 2HB LYS 25 1.994 -1.963 -4.224
165 2HB LYS 25 1HB LYS 25 0.948 -0.598 -3.906
166 1HG LYS 25 2HG LYS 25 3.087 0.782 -3.804
167 2HG LYS 25 1HG LYS 25 3.850 -0.612 -4.566
168 1HD LYS 25 2HD LYS 25 1.480 0.904 -5.660
169 2HD LYS 25 1HD LYS 25 3.145 1.072 -6.218
170 1HE LYS 25 2HE LYS 25 3.024 -0.779 -7.465
171 2HE LYS 25 1HE LYS 25 2.232 -1.693 -6.182
172 1HZ LYS 25 1HZ LYS 25 0.255 -0.082 -6.938
173 2HZ LYS 25 2HZ LYS 25 0.508 -1.618 -7.602
174 3HZ LYS 25 3HZ LYS 25 1.071 -0.244 -8.412
175 H LYS 26 H LYS 26 1.173 -2.428 -0.354
176 HA LYS 26 HA LYS 26 2.566 -4.912 -1.078
177 1HB LYS 26 2HB LYS 26 1.569 -5.404 1.416
178 2HB LYS 26 1HB LYS 26 3.196 -4.862 1.063
179 1HG LYS 26 2HG LYS 26 2.568 -2.567 1.490
180 2HG LYS 26 1HG LYS 26 0.884 -3.046 1.716
181 1HD LYS 26 2HD LYS 26 1.728 -4.551 3.588
182 2HD LYS 26 1HD LYS 26 3.254 -3.673 3.460
183 1HE LYS 26 2HE LYS 26 1.576 -1.597 3.607
184 2HE LYS 26 1HE LYS 26 0.623 -2.787 4.492
185 1HZ LYS 26 1HZ LYS 26 3.464 -2.333 5.147
186 2HZ LYS 26 2HZ LYS 26 2.246 -2.998 6.115
187 3HZ LYS 26 3HZ LYS 26 2.257 -1.338 5.791
188 H TRP 27 H TRP 27 1.475 -6.720 -1.491
189 HA TRP 27 HA TRP 27 -1.332 -6.940 -0.852
190 1HB TRP 27 2HB TRP 27 -2.104 -7.287 -3.133
191 2HB TRP 27 1HB TRP 27 -1.427 -5.694 -2.955
192 HD1 TRP 27 HD TRP 27 -0.935 -8.932 -4.662
193 HE1 TRP 27 1HE TRP 27 0.813 -8.698 -6.511
194 HE3 TRP 27 3HE TRP 27 0.750 -4.204 -3.607
195 HZ2 TRP 27 2HZ TRP 27 2.670 -6.795 -7.420
196 HZ3 TRP 27 3HZ TRP 27 2.523 -3.282 -5.025
197 HH2 TRP 27 HH TRP 27 3.457 -4.536 -6.890
198 H TRP 28 H TRP 28 -2.266 -8.984 -1.601
199 HA TRP 28 HA TRP 28 -0.480 -11.126 -2.328
200 1HB TRP 28 2HB TRP 28 -0.930 -12.438 -0.238
201 2HB TRP 28 1HB TRP 28 0.073 -11.015 0.021
202 HD1 TRP 28 HD TRP 28 -3.365 -12.402 0.789
203 HE1 TRP 28 1HE TRP 28 -4.431 -10.934 2.580
204 HE3 TRP 28 3HE TRP 28 0.080 -8.635 0.961
205 HZ2 TRP 28 2HZ TRP 28 -3.921 -8.512 3.928
206 HZ3 TRP 28 3HZ TRP 28 -0.285 -6.775 2.530
207 HH2 TRP 28 HH TRP 28 -2.247 -6.716 3.983
208 H SER 29 H SER 29 -1.798 -13.317 -1.849
209 HA SER 29 HA SER 29 -4.572 -12.843 -2.731
210 1HB SER 29 2HB SER 29 -3.216 -15.375 -3.514
211 2HB SER 29 1HB SER 29 -4.403 -14.407 -4.398
212 HG SER 29 HG SER 29 -1.904 -14.477 -4.910
213 H ASP 30 H ASP 30 -6.006 -13.525 -1.288
214 HA ASP 30 HA ASP 30 -5.316 -15.853 0.383
215 1HB ASP 30 2HB ASP 30 -5.634 -13.331 1.338
216 2HB ASP 30 1HB ASP 30 -7.282 -13.943 1.480
217 H HIS 31 H HIS 31 -7.798 -16.104 1.644
218 HA HIS 31 HA HIS 31 -9.217 -17.641 -0.238
219 1HB HIS 31 2HB HIS 31 -10.864 -17.970 1.508
220 2HB HIS 31 1HB HIS 31 -9.254 -18.037 2.214
221 HD1 HIS 31 1HD HIS 31 -12.434 -16.749 2.953
222 HD2 HIS 31 2HD HIS 31 -8.587 -15.198 3.217
223 HE1 HIS 31 1HE HIS 31 -12.583 -14.855 4.600
224 HE2 HIS 31 2HE HIS 31 -10.226 -13.991 4.813
225 H ARG 32 H ARG 32 -9.777 -14.402 1.065
226 HA ARG 32 HA ARG 32 -12.269 -13.974 -0.197
227 1HB ARG 32 2HB ARG 32 -10.229 -12.279 1.143
228 2HB ARG 32 1HB ARG 32 -11.369 -11.463 0.073
229 1HG ARG 32 2HG ARG 32 -13.047 -11.660 1.530
230 2HG ARG 32 1HG ARG 32 -12.648 -13.339 1.903
231 1HD ARG 32 2HD ARG 32 -12.293 -12.250 3.924
232 2HD ARG 32 1HD ARG 32 -10.675 -12.343 3.230
233 HE ARG 32 HE ARG 32 -10.630 -10.067 3.191
234 1HH1 ARG 32 1HH1 ARG 32 -13.964 -11.087 3.314
235 2HH1 ARG 32 2HH1 ARG 32 -14.582 -9.477 3.468
236 1HH2 ARG 32 1HH2 ARG 32 -11.441 -7.947 3.395
237 2HH2 ARG 32 2HH2 ARG 32 -13.149 -7.694 3.511
238 H GLY 33 H GLY 33 -8.984 -13.761 -1.303
239 1HA GLY 33 2HA GLY 33 -9.078 -14.002 -3.877
240 2HA GLY 33 1HA GLY 33 -9.850 -12.421 -3.774
241 H THR 34 H THR 34 -8.624 -10.614 -3.187
242 HA THR 34 HA THR 34 -5.756 -10.977 -2.802
243 HB THR 34 HB THR 34 -6.833 -9.172 -4.972
244 HG1 THR 34 1HG THR 34 -7.114 -11.285 -5.635
245 1HG2 THR 34 1HG2 THR 34 -4.653 -8.762 -5.624
246 2HG2 THR 34 2HG2 THR 34 -4.018 -10.139 -4.723
247 3HG2 THR 34 3HG2 THR 34 -4.563 -8.700 -3.863
248 H ILE 35 H ILE 35 -5.091 -9.692 -1.219
249 HA ILE 35 HA ILE 35 -6.690 -7.294 -0.599
250 HB ILE 35 HB ILE 35 -4.785 -8.616 1.315
251 1HG1 ILE 35 2HG1 ILE 35 -7.740 -9.191 1.002
252 2HG1 ILE 35 1HG1 ILE 35 -6.436 -10.302 0.600
253 1HG2 ILE 35 1HG2 ILE 35 -5.287 -6.669 2.332
254 2HG2 ILE 35 2HG2 ILE 35 -6.750 -7.533 2.801
255 3HG2 ILE 35 3HG2 ILE 35 -6.774 -6.448 1.411
256 1HD1 ILE 35 1HD1 ILE 35 -5.888 -9.663 3.202
257 2HD1 ILE 35 2HD1 ILE 35 -6.736 -11.107 2.650
258 3HD1 ILE 35 3HD1 ILE 35 -7.651 -9.692 3.169
259 H ILE 36 H ILE 36 -5.645 -5.339 -0.142
260 HA ILE 36 HA ILE 36 -2.755 -5.238 -0.598
261 HB ILE 36 HB ILE 36 -2.904 -3.410 -2.164
262 1HG1 ILE 36 2HG1 ILE 36 -4.990 -2.384 -1.323
263 2HG1 ILE 36 1HG1 ILE 36 -5.026 -2.610 -3.066
264 1HG2 ILE 36 1HG2 ILE 36 -3.568 -6.028 -2.724
265 2HG2 ILE 36 2HG2 ILE 36 -3.095 -4.798 -3.894
266 3HG2 ILE 36 3HG2 ILE 36 -4.802 -5.097 -3.570
267 1HD1 ILE 36 1HD1 ILE 36 -6.730 -3.740 -0.993
268 2HD1 ILE 36 2HD1 ILE 36 -6.163 -4.920 -2.176
269 3HD1 ILE 36 3HD1 ILE 36 -7.040 -3.485 -2.710
270 H GLU 37 H GLU 37 -1.745 -3.967 0.821
271 HA GLU 37 HA GLU 37 -3.341 -1.963 2.268
272 1HB GLU 37 2HB GLU 37 -1.231 -2.376 3.921
273 2HB GLU 37 1HB GLU 37 -2.776 -3.211 4.066
274 1HG GLU 37 2HG GLU 37 -1.907 -5.103 2.860
275 2HG GLU 37 1HG GLU 37 -0.385 -4.264 2.568
276 H ARG 38 H ARG 38 -2.134 -0.080 3.019
277 HA ARG 38 HA ARG 38 0.193 0.541 1.331
278 1HB ARG 38 2HB ARG 38 -1.957 2.551 1.974
279 2HB ARG 38 1HB ARG 38 -0.648 2.702 0.811
280 1HG ARG 38 2HG ARG 38 -2.476 0.451 0.340
281 2HG ARG 38 1HG ARG 38 -3.191 2.056 0.176
282 1HD ARG 38 2HD ARG 38 -1.094 2.573 -1.252
283 2HD ARG 38 1HD ARG 38 -0.939 0.819 -1.362
284 HE ARG 38 HE ARG 38 -2.910 2.478 -2.653
285 1HH1 ARG 38 1HH1 ARG 38 -2.126 -0.747 -1.571
286 2HH1 ARG 38 2HH1 ARG 38 -3.205 -1.515 -2.686
287 1HH2 ARG 38 1HH2 ARG 38 -4.330 1.469 -4.116
288 2HH2 ARG 38 2HH2 ARG 38 -4.456 -0.259 -4.131
289 H GLY 39 H GLY 39 1.158 2.748 2.129
290 1HA GLY 39 2HA GLY 39 0.951 3.691 4.701
291 2HA GLY 39 1HA GLY 39 2.013 2.296 4.821
292 H CYS 40 H CYS 40 3.026 4.677 5.555
293 HA CYS 40 HA CYS 40 4.554 5.674 3.260
294 1HB CYS 40 2HB CYS 40 3.732 6.815 5.876
295 2HB CYS 40 1HB CYS 40 5.291 7.331 5.235
296 H GLY 41 H GLY 41 6.559 4.987 2.946
297 1HA GLY 41 2HA GLY 41 8.791 4.915 4.179
298 2HA GLY 41 1HA GLY 41 7.979 3.740 5.214
299 H CYS 42 H CYS 42 9.563 2.174 4.661
300 HA CYS 42 HA CYS 42 8.848 0.630 2.349
301 1HB CYS 42 2HB CYS 42 10.448 2.318 1.416
302 2HB CYS 42 1HB CYS 42 11.683 1.675 2.501
303 HA PRO 43 HA PRO 43 10.659 -1.679 5.982
304 1HB PRO 43 2HB PRO 43 8.443 -2.880 6.892
305 2HB PRO 43 1HB PRO 43 8.846 -1.215 7.345
306 1HG PRO 43 2HG PRO 43 6.900 -2.208 5.296
307 2HG PRO 43 1HG PRO 43 6.724 -0.880 6.462
308 1HD PRO 43 2HD PRO 43 7.392 -0.541 3.812
309 2HD PRO 43 1HD PRO 43 7.803 0.610 5.103
310 H LYS 44 H LYS 44 9.898 -4.187 6.490
311 HA LYS 44 HA LYS 44 9.793 -5.526 3.869
312 1HB LYS 44 2HB LYS 44 11.823 -5.664 5.934
313 2HB LYS 44 1HB LYS 44 11.174 -7.253 5.550
314 1HG LYS 44 2HG LYS 44 12.281 -5.300 3.545
315 2HG LYS 44 1HG LYS 44 13.139 -6.686 4.207
316 1HD LYS 44 2HD LYS 44 11.855 -8.210 3.051
317 2HD LYS 44 1HD LYS 44 10.485 -7.107 2.919
318 1HE LYS 44 2HE LYS 44 12.363 -5.758 1.510
319 2HE LYS 44 1HE LYS 44 12.839 -7.425 1.184
320 1HZ LYS 44 1HZ LYS 44 10.473 -5.972 0.335
321 2HZ LYS 44 2HZ LYS 44 10.213 -7.577 0.801
322 3HZ LYS 44 3HZ LYS 44 11.312 -7.224 -0.436
323 H VAL 45 H VAL 45 9.407 -8.021 4.310
324 HA VAL 45 HA VAL 45 7.624 -8.554 6.519
325 HB VAL 45 HB VAL 45 5.711 -9.208 5.111
326 1HG1 VAL 45 1HG1 VAL 45 4.812 -7.052 4.849
327 2HG1 VAL 45 2HG1 VAL 45 6.395 -6.341 4.534
328 3HG1 VAL 45 3HG1 VAL 45 5.989 -6.906 6.155
329 1HG2 VAL 45 1HG2 VAL 45 7.570 -8.398 2.958
330 2HG2 VAL 45 2HG2 VAL 45 5.875 -7.962 2.748
331 3HG2 VAL 45 3HG2 VAL 45 6.329 -9.651 2.975
332 H LYS 46 H LYS 46 6.443 -10.836 5.794
333 HA LYS 46 HA LYS 46 8.619 -12.654 5.623
334 1HB LYS 46 2HB LYS 46 6.910 -14.384 5.992
335 2HB LYS 46 1HB LYS 46 6.790 -13.080 7.165
336 1HG LYS 46 2HG LYS 46 5.113 -12.208 5.227
337 2HG LYS 46 1HG LYS 46 4.893 -13.955 5.117
338 1HD LYS 46 2HD LYS 46 3.291 -12.977 6.674
339 2HD LYS 46 1HD LYS 46 4.416 -14.041 7.519
340 1HE LYS 46 2HE LYS 46 5.397 -11.320 7.414
341 2HE LYS 46 1HE LYS 46 3.801 -11.405 8.159
342 1HZ LYS 46 1HZ LYS 46 4.877 -13.361 9.461
343 2HZ LYS 46 2HZ LYS 46 5.167 -11.767 9.944
344 3HZ LYS 46 3HZ LYS 46 6.331 -12.603 9.047
345 HA PRO 47 HA PRO 47 8.268 -13.790 1.385
346 1HB PRO 47 2HB PRO 47 8.496 -16.568 1.565
347 2HB PRO 47 1HB PRO 47 9.818 -15.420 1.491
348 1HG PRO 47 2HG PRO 47 8.997 -17.035 3.668
349 2HG PRO 47 1HG PRO 47 10.386 -15.957 3.563
350 1HD PRO 47 2HD PRO 47 7.877 -15.566 4.935
351 2HD PRO 47 1HD PRO 47 9.350 -14.579 4.983
352 H GLY 48 H GLY 48 6.806 -14.327 -0.172
353 1HA GLY 48 2HA GLY 48 5.003 -15.797 -0.942
354 2HA GLY 48 1HA GLY 48 4.390 -15.785 0.712
355 H VAL 49 H VAL 49 4.935 -12.902 1.001
356 HA VAL 49 HA VAL 49 2.540 -11.940 -0.387
357 HB VAL 49 HB VAL 49 4.060 -10.642 1.880
358 1HG1 VAL 49 1HG1 VAL 49 2.866 -8.880 1.123
359 2HG1 VAL 49 2HG1 VAL 49 1.568 -9.653 2.032
360 3HG1 VAL 49 3HG1 VAL 49 1.690 -9.896 0.289
361 1HG2 VAL 49 1HG2 VAL 49 3.223 -12.393 3.037
362 2HG2 VAL 49 2HG2 VAL 49 1.980 -12.734 1.833
363 3HG2 VAL 49 3HG2 VAL 49 1.745 -11.430 2.996
364 H ASN 50 H ASN 50 2.536 -9.938 -1.503
365 HA ASN 50 HA ASN 50 5.149 -9.260 -2.632
366 1HB ASN 50 2HB ASN 50 2.585 -8.115 -3.659
367 2HB ASN 50 1HB ASN 50 4.066 -8.493 -4.534
368 1HD2 ASN 50 1HD2 ASN 50 1.028 -9.647 -3.443
369 2HD2 ASN 50 2HD2 ASN 50 1.110 -11.215 -4.181
370 H LEU 51 H LEU 51 5.902 -7.157 -2.760
371 HA LEU 51 HA LEU 51 4.500 -4.959 -1.565
372 1HB LEU 51 2HB LEU 51 5.250 -5.985 0.462
373 2HB LEU 51 1HB LEU 51 6.861 -6.222 -0.186
374 HG LEU 51 HG LEU 51 6.946 -3.633 -0.307
375 1HD1 LEU 51 1HD1 LEU 51 5.522 -2.416 1.078
376 2HD1 LEU 51 2HD1 LEU 51 4.943 -3.860 1.909
377 3HD1 LEU 51 3HD1 LEU 51 4.446 -3.540 0.247
378 1HD2 LEU 51 1HD2 LEU 51 6.926 -4.532 2.509
379 2HD2 LEU 51 2HD2 LEU 51 8.176 -3.689 1.592
380 3HD2 LEU 51 3HD2 LEU 51 7.953 -5.427 1.389
381 H ASN 52 H ASN 52 5.232 -3.050 -2.392
382 HA ASN 52 HA ASN 52 7.930 -2.903 -3.486
383 1HB ASN 52 2HB ASN 52 5.620 -2.136 -5.258
384 2HB ASN 52 1HB ASN 52 7.310 -2.355 -5.697
385 1HD2 ASN 52 1HD2 ASN 52 4.509 -4.101 -4.442
386 2HD2 ASN 52 2HD2 ASN 52 4.879 -5.603 -5.214
387 H CYS 53 H CYS 53 8.761 -1.098 -2.689
388 HA CYS 53 HA CYS 53 7.102 1.070 -1.798
389 1HB CYS 53 2HB CYS 53 10.105 1.126 -1.981
390 2HB CYS 53 1HB CYS 53 9.054 1.965 -0.845
391 H CYS 54 H CYS 54 7.401 3.284 -2.480
392 HA CYS 54 HA CYS 54 8.769 3.884 -4.925
393 1HB CYS 54 2HB CYS 54 6.537 4.739 -5.969
394 2HB CYS 54 1HB CYS 54 6.985 3.044 -6.144
395 H ARG 55 H ARG 55 8.796 6.016 -5.462
396 HA ARG 55 HA ARG 55 7.993 7.803 -3.288
397 1HB ARG 55 2HB ARG 55 10.191 8.800 -4.840
398 2HB ARG 55 1HB ARG 55 10.102 8.452 -3.123
399 1HG ARG 55 2HG ARG 55 10.435 5.974 -3.996
400 2HG ARG 55 1HG ARG 55 11.208 6.834 -5.331
401 1HD ARG 55 2HD ARG 55 11.872 7.244 -2.419
402 2HD ARG 55 1HD ARG 55 12.758 6.164 -3.496
403 HE ARG 55 HE ARG 55 12.711 8.610 -4.747
404 1HH1 ARG 55 1HH1 ARG 55 13.906 7.338 -1.727
405 2HH1 ARG 55 2HH1 ARG 55 15.206 8.477 -1.615
406 1HH2 ARG 55 1HH2 ARG 55 14.423 10.111 -4.604
407 2HH2 ARG 55 2HH2 ARG 55 15.500 10.051 -3.250
408 H THR 56 H THR 56 6.443 7.166 -5.671
409 HA THR 56 HA THR 56 6.518 9.770 -7.049
410 HB THR 56 HB THR 56 4.870 7.895 -8.444
411 HG1 THR 56 1HG THR 56 5.930 6.156 -7.785
412 1HG2 THR 56 1HG2 THR 56 6.878 9.778 -9.034
413 2HG2 THR 56 2HG2 THR 56 5.801 8.936 -10.148
414 3HG2 THR 56 3HG2 THR 56 7.371 8.243 -9.745
415 H ASP 57 H ASP 57 4.602 10.914 -7.340
416 HA ASP 57 HA ASP 57 2.708 10.733 -5.270
417 1HB ASP 57 2HB ASP 57 3.376 12.711 -6.909
418 2HB ASP 57 1HB ASP 57 1.994 12.106 -7.825
419 H ARG 58 H ARG 58 1.063 9.381 -5.019
420 HA ARG 58 HA ARG 58 -0.680 7.986 -5.452
421 1HB ARG 58 2HB ARG 58 -0.561 8.965 -8.308
422 2HB ARG 58 1HB ARG 58 -1.932 8.217 -7.491
423 1HG ARG 58 2HG ARG 58 -2.048 10.168 -5.981
424 2HG ARG 58 1HG ARG 58 -0.743 10.921 -6.899
425 1HD ARG 58 2HD ARG 58 -2.175 10.727 -8.937
426 2HD ARG 58 1HD ARG 58 -3.488 10.175 -7.898
427 HE ARG 58 HE ARG 58 -2.342 12.691 -7.100
428 1HH1 ARG 58 1HH1 ARG 58 -4.724 11.137 -9.123
429 2HH1 ARG 58 2HH1 ARG 58 -5.733 12.541 -9.228
430 1HH2 ARG 58 1HH2 ARG 58 -3.669 14.538 -7.236
431 2HH2 ARG 58 2HH2 ARG 58 -5.135 14.472 -8.156
432 H CYS 59 H CYS 59 2.141 7.201 -5.838
433 HA CYS 59 HA CYS 59 2.369 5.458 -8.042
434 1HB CYS 59 2HB CYS 59 4.375 4.696 -7.032
435 2HB CYS 59 1HB CYS 59 4.249 6.409 -6.647
436 H ASN 60 H ASN 60 0.581 5.199 -5.163
437 HA ASN 60 HA ASN 60 0.151 2.335 -5.677
438 1HB ASN 60 2HB ASN 60 -0.105 1.995 -3.222
439 2HB ASN 60 1HB ASN 60 1.532 2.464 -3.693
440 1HD2 ASN 60 1HD2 ASN 60 1.350 2.870 -1.251
441 2HD2 ASN 60 2HD2 ASN 60 0.941 4.495 -0.796
442 H ASN 61 H ASN 61 -1.567 3.655 -6.948
443 HA ASN 61 HA ASN 61 -3.783 4.569 -5.324
444 1HB ASN 61 2HB ASN 61 -4.839 4.932 -7.609
445 2HB ASN 61 1HB ASN 61 -3.407 5.886 -7.256
446 1HD2 ASN 61 1HD2 ASN 61 -1.578 5.587 -8.433
447 2HD2 ASN 61 2HD2 ASN 61 -1.494 4.555 -9.827
Start of MODEL 15
1 1H LEU 1 1HT LEU 1 3.186 15.029 0.546
2 2H LEU 1 2HT LEU 1 4.769 14.367 0.494
3 3H LEU 1 3HT LEU 1 3.566 13.647 1.484
4 HA LEU 1 HA LEU 1 3.819 13.642 -1.431
5 1HB LEU 1 2HB LEU 1 4.348 11.867 0.710
6 2HB LEU 1 1HB LEU 1 2.994 11.210 -0.189
7 HG LEU 1 HG LEU 1 5.223 10.393 -0.921
8 1HD1 LEU 1 1HD1 LEU 1 3.645 11.886 -2.992
9 2HD1 LEU 1 2HD1 LEU 1 3.312 10.257 -2.400
10 3HD1 LEU 1 3HD1 LEU 1 4.792 10.581 -3.305
11 1HD2 LEU 1 1HD2 LEU 1 6.900 11.765 -1.407
12 2HD2 LEU 1 2HD2 LEU 1 5.893 13.103 -0.852
13 3HD2 LEU 1 3HD2 LEU 1 5.899 12.652 -2.558
14 H GLU 2 H GLU 2 1.992 11.668 -1.881
15 HA GLU 2 HA GLU 2 -0.593 12.352 -0.839
16 1HB GLU 2 2HB GLU 2 0.369 13.681 -3.222
17 2HB GLU 2 1HB GLU 2 -1.049 12.709 -3.589
18 1HG GLU 2 2HG GLU 2 -2.386 13.884 -2.057
19 2HG GLU 2 1HG GLU 2 -0.986 14.630 -1.287
20 H CYS 3 H CYS 3 0.209 10.003 -0.495
21 HA CYS 3 HA CYS 3 -0.150 8.254 -2.759
22 1HB CYS 3 2HB CYS 3 -0.042 7.145 -0.006
23 2HB CYS 3 1HB CYS 3 0.767 6.611 -1.474
24 H HIS 4 H HIS 4 -1.414 6.084 -1.736
25 HA HIS 4 HA HIS 4 -4.143 7.071 -1.231
26 1HB HIS 4 2HB HIS 4 -3.178 4.701 -2.837
27 2HB HIS 4 1HB HIS 4 -4.862 4.907 -2.349
28 HD1 HIS 4 1HD HIS 4 -5.927 7.304 -3.208
29 HD2 HIS 4 2HD HIS 4 -2.607 5.831 -5.226
30 HE1 HIS 4 1HE HIS 4 -5.909 8.490 -5.424
31 HE2 HIS 4 2HE HIS 4 -3.993 7.455 -6.688
32 H ASN 5 H ASN 5 -4.091 6.919 1.000
33 HA ASN 5 HA ASN 5 -3.242 4.477 2.289
34 1HB ASN 5 2HB ASN 5 -4.033 5.663 4.375
35 2HB ASN 5 1HB ASN 5 -2.767 6.500 3.471
36 1HD2 ASN 5 1HD2 ASN 5 -3.221 8.416 2.454
37 2HD2 ASN 5 2HD2 ASN 5 -4.693 9.298 2.721
38 H GLN 6 H GLN 6 -5.041 3.548 0.692
39 HA GLN 6 HA GLN 6 -7.410 3.099 2.374
40 1HB GLN 6 2HB GLN 6 -8.768 2.950 0.285
41 2HB GLN 6 1HB GLN 6 -8.145 4.561 0.615
42 1HG GLN 6 2HG GLN 6 -7.400 4.579 -1.469
43 2HG GLN 6 1HG GLN 6 -6.187 3.406 -0.956
44 1HE2 GLN 6 1HE2 GLN 6 -6.246 2.697 -3.173
45 2HE2 GLN 6 2HE2 GLN 6 -7.481 1.590 -3.687
46 H GLN 7 H GLN 7 -7.187 1.063 3.051
47 HA GLN 7 HA GLN 7 -5.887 -0.943 1.456
48 1HB GLN 7 2HB GLN 7 -6.641 -2.428 3.407
49 2HB GLN 7 1HB GLN 7 -5.468 -1.169 3.749
50 1HG GLN 7 2HG GLN 7 -8.279 -0.392 4.090
51 2HG GLN 7 1HG GLN 7 -7.694 -1.628 5.202
52 1HE2 GLN 7 1HE2 GLN 7 -8.322 1.434 5.199
53 2HE2 GLN 7 2HE2 GLN 7 -7.009 2.081 6.134
54 H SER 8 H SER 8 -6.877 -2.979 0.866
55 HA SER 8 HA SER 8 -8.471 -4.244 -0.151
56 1HB SER 8 2HB SER 8 -10.624 -2.732 1.302
57 2HB SER 8 1HB SER 8 -10.559 -4.448 0.882
58 HG SER 8 HG SER 8 -9.391 -3.081 3.016
59 H SER 9 H SER 9 -11.015 -3.709 -1.069
60 HA SER 9 HA SER 9 -10.441 -1.694 -3.113
61 1HB SER 9 2HB SER 9 -11.280 -4.212 -3.462
62 2HB SER 9 1HB SER 9 -12.852 -3.427 -3.306
63 HG SER 9 HG SER 9 -10.836 -2.505 -5.068
64 H GLN 10 H GLN 10 -11.316 -1.001 -0.388
65 HA GLN 10 HA GLN 10 -14.058 -0.190 -0.543
66 1HB GLN 10 2HB GLN 10 -11.832 0.131 1.402
67 2HB GLN 10 1HB GLN 10 -13.182 1.261 1.506
68 1HG GLN 10 2HG GLN 10 -14.033 -1.500 1.249
69 2HG GLN 10 1HG GLN 10 -13.026 -1.221 2.671
70 1HE2 GLN 10 1HE2 GLN 10 -15.972 -1.745 2.205
71 2HE2 GLN 10 2HE2 GLN 10 -16.770 -0.510 3.129
72 H ALA 11 H ALA 11 -14.327 2.300 0.247
73 HA ALA 11 HA ALA 11 -13.918 3.850 -2.041
74 1HB ALA 11 1HB ALA 11 -14.883 4.345 0.705
75 2HB ALA 11 2HB ALA 11 -15.620 4.739 -0.848
76 3HB ALA 11 3HB ALA 11 -14.333 5.755 -0.201
77 HA PRO 12 HA PRO 12 -9.463 4.543 -1.669
78 1HB PRO 12 2HB PRO 12 -10.408 6.719 -3.509
79 2HB PRO 12 1HB PRO 12 -8.953 5.715 -3.615
80 1HG PRO 12 2HG PRO 12 -11.028 5.104 -5.112
81 2HG PRO 12 1HG PRO 12 -10.156 3.817 -4.246
82 1HD PRO 12 2HD PRO 12 -12.802 5.063 -3.623
83 2HD PRO 12 1HD PRO 12 -12.270 3.375 -3.429
84 H THR 13 H THR 13 -8.089 6.399 -1.081
85 HA THR 13 HA THR 13 -9.377 8.729 0.049
86 HB THR 13 HB THR 13 -8.249 8.333 2.292
87 HG1 THR 13 1HG THR 13 -6.895 6.637 1.730
88 1HG2 THR 13 1HG2 THR 13 -10.655 8.067 2.082
89 2HG2 THR 13 2HG2 THR 13 -9.974 6.863 3.177
90 3HG2 THR 13 3HG2 THR 13 -10.433 6.406 1.536
91 H THR 14 H THR 14 -8.025 10.469 0.170
92 HA THR 14 HA THR 14 -5.179 9.996 -0.421
93 HB THR 14 HB THR 14 -5.158 11.937 -1.878
94 HG1 THR 14 1HG THR 14 -7.921 12.133 -1.270
95 1HG2 THR 14 1HG2 THR 14 -7.529 10.285 -2.691
96 2HG2 THR 14 2HG2 THR 14 -5.857 9.749 -2.858
97 3HG2 THR 14 3HG2 THR 14 -6.417 11.174 -3.731
98 H LYS 15 H LYS 15 -3.819 10.904 0.972
99 HA LYS 15 HA LYS 15 -4.431 13.412 2.267
100 1HB LYS 15 2HB LYS 15 -5.369 11.272 3.587
101 2HB LYS 15 1HB LYS 15 -3.720 11.268 4.194
102 1HG LYS 15 2HG LYS 15 -5.034 12.502 5.730
103 2HG LYS 15 1HG LYS 15 -4.049 13.666 4.841
104 1HD LYS 15 2HD LYS 15 -6.161 14.650 4.872
105 2HD LYS 15 1HD LYS 15 -6.089 13.881 3.285
106 1HE LYS 15 2HE LYS 15 -8.216 13.355 4.168
107 2HE LYS 15 1HE LYS 15 -7.243 11.894 4.339
108 1HZ LYS 15 1HZ LYS 15 -7.289 13.764 6.585
109 2HZ LYS 15 2HZ LYS 15 -7.197 12.076 6.588
110 3HZ LYS 15 3HZ LYS 15 -8.680 12.840 6.311
111 H THR 16 H THR 16 -2.600 14.196 3.584
112 HA THR 16 HA THR 16 -0.085 13.374 2.353
113 HB THR 16 HB THR 16 0.581 15.503 3.899
114 HG1 THR 16 1HG THR 16 -2.069 16.031 3.056
115 1HG2 THR 16 1HG2 THR 16 1.173 15.803 1.728
116 2HG2 THR 16 2HG2 THR 16 -0.204 16.902 1.813
117 3HG2 THR 16 3HG2 THR 16 -0.400 15.297 1.110
118 H CYS 17 H CYS 17 1.802 12.937 3.574
119 HA CYS 17 HA CYS 17 1.222 11.676 6.145
120 1HB CYS 17 2HB CYS 17 3.607 11.511 4.294
121 2HB CYS 17 1HB CYS 17 3.534 10.714 5.867
122 H SER 18 H SER 18 2.805 11.908 7.912
123 HA SER 18 HA SER 18 3.956 14.618 7.977
124 1HB SER 18 2HB SER 18 3.560 14.012 10.614
125 2HB SER 18 1HB SER 18 2.436 14.944 9.623
126 HG SER 18 HG SER 18 1.274 13.058 9.236
127 H GLY 19 H GLY 19 5.913 13.566 7.148
128 1HA GLY 19 2HA GLY 19 8.079 13.418 8.505
129 2HA GLY 19 1HA GLY 19 7.328 11.979 9.193
130 H GLU 20 H GLU 20 6.413 10.491 7.312
131 HA GLU 20 HA GLU 20 8.638 9.431 5.991
132 1HB GLU 20 2HB GLU 20 5.680 9.002 5.793
133 2HB GLU 20 1HB GLU 20 6.749 8.245 4.613
134 1HG GLU 20 2HG GLU 20 6.875 7.893 7.600
135 2HG GLU 20 1HG GLU 20 6.232 6.731 6.440
136 H THR 21 H THR 21 9.080 9.263 3.717
137 HA THR 21 HA THR 21 8.180 11.631 2.214
138 HB THR 21 HB THR 21 10.782 10.114 1.958
139 HG1 THR 21 1HG THR 21 10.790 11.339 3.820
140 1HG2 THR 21 1HG2 THR 21 9.858 12.638 0.611
141 2HG2 THR 21 2HG2 THR 21 10.223 11.094 -0.160
142 3HG2 THR 21 3HG2 THR 21 11.512 12.029 0.597
143 H ASN 22 H ASN 22 9.046 8.219 1.936
144 HA ASN 22 HA ASN 22 7.693 8.134 -0.672
145 1HB ASN 22 2HB ASN 22 8.878 5.731 -0.572
146 2HB ASN 22 1HB ASN 22 9.695 7.169 -1.181
147 1HD2 ASN 22 1HD2 ASN 22 8.984 5.841 2.024
148 2HD2 ASN 22 2HD2 ASN 22 10.615 5.929 2.613
149 H CYS 23 H CYS 23 6.399 6.208 -1.144
150 HA CYS 23 HA CYS 23 5.076 5.157 1.266
151 1HB CYS 23 2HB CYS 23 4.001 6.366 -1.213
152 2HB CYS 23 1HB CYS 23 3.154 4.934 -0.631
153 H TYR 24 H TYR 24 3.467 3.249 0.058
154 HA TYR 24 HA TYR 24 5.105 1.601 -1.656
155 1HB TYR 24 2HB TYR 24 5.109 -0.333 -0.099
156 2HB TYR 24 1HB TYR 24 6.078 1.024 0.478
157 HD1 TYR 24 1HD TYR 24 2.633 -0.389 0.781
158 HD2 TYR 24 2HD TYR 24 5.801 1.727 2.672
159 HE1 TYR 24 1HE TYR 24 1.378 -0.412 2.895
160 HE2 TYR 24 2HE TYR 24 4.555 1.709 4.793
161 HH TYR 24 HH TYR 24 2.356 -0.189 5.618
162 H LYS 25 H LYS 25 4.042 -0.608 -1.916
163 HA LYS 25 HA LYS 25 1.152 -0.604 -1.617
164 1HB LYS 25 2HB LYS 25 2.083 0.441 -3.927
165 2HB LYS 25 1HB LYS 25 2.072 -1.264 -4.355
166 1HG LYS 25 2HG LYS 25 -0.358 -1.109 -3.310
167 2HG LYS 25 1HG LYS 25 -0.175 0.567 -3.824
168 1HD LYS 25 2HD LYS 25 -0.355 0.039 -5.996
169 2HD LYS 25 1HD LYS 25 0.692 -1.371 -5.830
170 1HE LYS 25 2HE LYS 25 -1.458 -2.300 -4.552
171 2HE LYS 25 1HE LYS 25 -2.256 -1.150 -5.624
172 1HZ LYS 25 1HZ LYS 25 -0.685 -3.543 -6.323
173 2HZ LYS 25 2HZ LYS 25 -0.855 -2.283 -7.437
174 3HZ LYS 25 3HZ LYS 25 -2.225 -3.086 -6.856
175 H LYS 26 H LYS 26 0.768 -2.526 -0.748
176 HA LYS 26 HA LYS 26 2.340 -4.824 -1.708
177 1HB LYS 26 2HB LYS 26 1.493 -5.614 0.760
178 2HB LYS 26 1HB LYS 26 3.060 -4.914 0.416
179 1HG LYS 26 2HG LYS 26 2.336 -2.750 1.117
180 2HG LYS 26 1HG LYS 26 0.668 -3.306 1.259
181 1HD LYS 26 2HD LYS 26 1.019 -4.199 3.288
182 2HD LYS 26 1HD LYS 26 2.574 -4.886 2.816
183 1HE LYS 26 2HE LYS 26 3.375 -2.406 2.909
184 2HE LYS 26 1HE LYS 26 1.948 -2.181 3.920
185 1HZ LYS 26 1HZ LYS 26 3.458 -2.720 5.504
186 2HZ LYS 26 2HZ LYS 26 4.399 -3.674 4.471
187 3HZ LYS 26 3HZ LYS 26 2.957 -4.286 5.108
188 H TRP 27 H TRP 27 1.329 -6.834 -1.822
189 HA TRP 27 HA TRP 27 -1.452 -7.142 -1.238
190 1HB TRP 27 2HB TRP 27 -2.072 -7.774 -3.591
191 2HB TRP 27 1HB TRP 27 -1.822 -6.073 -3.325
192 HD1 TRP 27 HD TRP 27 -0.589 -8.950 -5.261
193 HE1 TRP 27 1HE TRP 27 1.163 -8.181 -6.961
194 HE3 TRP 27 3HE TRP 27 0.113 -4.177 -3.594
195 HZ2 TRP 27 2HZ TRP 27 2.661 -5.861 -7.533
196 HZ3 TRP 27 3HZ TRP 27 1.710 -2.765 -4.769
197 HH2 TRP 27 HH TRP 27 2.965 -3.572 -6.697
198 H TRP 28 H TRP 28 -2.228 -9.289 -1.667
199 HA TRP 28 HA TRP 28 -0.264 -11.313 -2.371
200 1HB TRP 28 2HB TRP 28 -0.607 -12.544 -0.219
201 2HB TRP 28 1HB TRP 28 0.227 -11.008 -0.021
202 HD1 TRP 28 HD TRP 28 -2.939 -12.793 0.921
203 HE1 TRP 28 1HE TRP 28 -4.243 -11.329 2.553
204 HE3 TRP 28 3HE TRP 28 -0.204 -8.494 0.573
205 HZ2 TRP 28 2HZ TRP 28 -4.158 -8.713 3.598
206 HZ3 TRP 28 3HZ TRP 28 -0.877 -6.558 1.927
207 HH2 TRP 28 HH TRP 28 -2.818 -6.664 3.408
208 H SER 29 H SER 29 -1.393 -13.577 -1.799
209 HA SER 29 HA SER 29 -4.168 -13.392 -2.778
210 1HB SER 29 2HB SER 29 -2.133 -14.434 -4.215
211 2HB SER 29 1HB SER 29 -2.640 -15.874 -3.325
212 HG SER 29 HG SER 29 -4.421 -14.209 -4.775
213 H ASP 30 H ASP 30 -5.381 -13.746 -1.012
214 HA ASP 30 HA ASP 30 -4.640 -15.939 0.793
215 1HB ASP 30 2HB ASP 30 -6.339 -14.924 2.330
216 2HB ASP 30 1HB ASP 30 -4.987 -13.855 1.948
217 H HIS 31 H HIS 31 -6.845 -16.823 1.868
218 HA HIS 31 HA HIS 31 -8.015 -18.462 -0.083
219 1HB HIS 31 2HB HIS 31 -9.619 -19.097 1.721
220 2HB HIS 31 1HB HIS 31 -7.932 -19.185 2.217
221 HD1 HIS 31 1HD HIS 31 -11.138 -17.641 3.083
222 HD2 HIS 31 2HD HIS 31 -7.123 -16.996 3.937
223 HE1 HIS 31 1HE HIS 31 -11.114 -16.119 5.085
224 HE2 HIS 31 2HE HIS 31 -8.675 -15.822 5.642
225 H ARG 32 H ARG 32 -9.086 -15.447 1.386
226 HA ARG 32 HA ARG 32 -11.702 -15.477 0.282
227 1HB ARG 32 2HB ARG 32 -10.017 -13.594 1.779
228 2HB ARG 32 1HB ARG 32 -11.142 -12.817 0.664
229 1HG ARG 32 2HG ARG 32 -12.922 -13.319 1.922
230 2HG ARG 32 1HG ARG 32 -12.336 -14.944 2.280
231 1HD ARG 32 2HD ARG 32 -12.537 -13.368 4.248
232 2HD ARG 32 1HD ARG 32 -10.982 -14.175 4.050
233 HE ARG 32 HE ARG 32 -11.114 -11.584 2.809
234 1HH1 ARG 32 1HH1 ARG 32 -10.449 -13.312 5.767
235 2HH1 ARG 32 2HH1 ARG 32 -9.442 -12.063 6.417
236 1HH2 ARG 32 1HH2 ARG 32 -9.790 -9.939 3.663
237 2HH2 ARG 32 2HH2 ARG 32 -9.068 -10.147 5.222
238 H GLY 33 H GLY 33 -8.585 -14.418 -0.890
239 1HA GLY 33 2HA GLY 33 -8.896 -14.568 -3.522
240 2HA GLY 33 1HA GLY 33 -9.776 -13.077 -3.192
241 H THR 34 H THR 34 -8.620 -11.316 -3.543
242 HA THR 34 HA THR 34 -5.727 -11.404 -2.989
243 HB THR 34 HB THR 34 -7.000 -9.663 -5.094
244 HG1 THR 34 1HG THR 34 -7.360 -11.842 -5.640
245 1HG2 THR 34 1HG2 THR 34 -4.962 -8.817 -5.235
246 2HG2 THR 34 2HG2 THR 34 -4.431 -10.384 -5.846
247 3HG2 THR 34 3HG2 THR 34 -4.314 -10.022 -4.124
248 H ILE 35 H ILE 35 -4.912 -9.851 -1.712
249 HA ILE 35 HA ILE 35 -6.698 -7.625 -0.964
250 HB ILE 35 HB ILE 35 -4.710 -9.053 0.786
251 1HG1 ILE 35 2HG1 ILE 35 -6.601 -10.441 0.652
252 2HG1 ILE 35 1HG1 ILE 35 -6.863 -9.493 2.107
253 1HG2 ILE 35 1HG2 ILE 35 -6.541 -6.745 1.422
254 2HG2 ILE 35 2HG2 ILE 35 -4.784 -6.670 1.286
255 3HG2 ILE 35 3HG2 ILE 35 -5.530 -7.606 2.582
256 1HD1 ILE 35 1HD1 ILE 35 -8.331 -9.483 -0.446
257 2HD1 ILE 35 2HD1 ILE 35 -8.143 -7.935 0.377
258 3HD1 ILE 35 3HD1 ILE 35 -8.915 -9.286 1.206
259 H ILE 36 H ILE 36 -5.741 -5.590 -0.580
260 HA ILE 36 HA ILE 36 -2.904 -5.299 -1.243
261 HB ILE 36 HB ILE 36 -3.317 -3.483 -2.803
262 1HG1 ILE 36 2HG1 ILE 36 -6.240 -4.083 -2.294
263 2HG1 ILE 36 1HG1 ILE 36 -5.388 -2.583 -1.945
264 1HG2 ILE 36 1HG2 ILE 36 -3.412 -4.934 -4.485
265 2HG2 ILE 36 2HG2 ILE 36 -5.088 -5.345 -4.125
266 3HG2 ILE 36 3HG2 ILE 36 -3.778 -6.181 -3.295
267 1HD1 ILE 36 1HD1 ILE 36 -6.441 -3.616 -4.503
268 2HD1 ILE 36 2HD1 ILE 36 -4.945 -2.685 -4.559
269 3HD1 ILE 36 3HD1 ILE 36 -6.403 -1.972 -3.868
270 H GLU 37 H GLU 37 -1.917 -3.958 0.180
271 HA GLU 37 HA GLU 37 -3.586 -1.945 1.537
272 1HB GLU 37 2HB GLU 37 -1.553 -2.368 3.311
273 2HB GLU 37 1HB GLU 37 -3.152 -3.101 3.420
274 1HG GLU 37 2HG GLU 37 -2.340 -5.093 2.313
275 2HG GLU 37 1HG GLU 37 -0.754 -4.355 2.100
276 H ARG 38 H ARG 38 -2.328 -0.090 2.402
277 HA ARG 38 HA ARG 38 0.156 0.439 0.948
278 1HB ARG 38 2HB ARG 38 -2.217 2.314 0.942
279 2HB ARG 38 1HB ARG 38 -0.640 2.647 0.238
280 1HG ARG 38 2HG ARG 38 -1.495 1.886 -1.666
281 2HG ARG 38 1HG ARG 38 -1.358 0.276 -0.956
282 1HD ARG 38 2HD ARG 38 -3.587 0.109 -0.570
283 2HD ARG 38 1HD ARG 38 -3.768 1.834 -0.249
284 HE ARG 38 HE ARG 38 -4.235 2.173 -2.469
285 1HH1 ARG 38 1HH1 ARG 38 -2.921 -1.034 -2.053
286 2HH1 ARG 38 2HH1 ARG 38 -3.284 -1.528 -3.672
287 1HH2 ARG 38 1HH2 ARG 38 -4.712 1.524 -4.599
288 2HH2 ARG 38 2HH2 ARG 38 -4.300 -0.076 -5.118
289 H GLY 39 H GLY 39 0.833 2.860 1.646
290 1HA GLY 39 2HA GLY 39 0.253 4.051 4.000
291 2HA GLY 39 1HA GLY 39 1.205 2.664 4.507
292 H CYS 40 H CYS 40 2.200 5.032 5.179
293 HA CYS 40 HA CYS 40 4.103 5.865 3.128
294 1HB CYS 40 2HB CYS 40 2.825 7.137 5.382
295 2HB CYS 40 1HB CYS 40 4.577 7.311 5.498
296 H GLY 41 H GLY 41 6.017 4.911 3.011
297 1HA GLY 41 2HA GLY 41 8.067 4.744 4.627
298 2HA GLY 41 1HA GLY 41 7.057 3.505 5.367
299 H CYS 42 H CYS 42 8.791 2.018 4.894
300 HA CYS 42 HA CYS 42 8.384 0.690 2.380
301 1HB CYS 42 2HB CYS 42 10.059 2.464 1.813
302 2HB CYS 42 1HB CYS 42 11.161 1.730 2.981
303 HA PRO 43 HA PRO 43 9.748 -1.942 5.988
304 1HB PRO 43 2HB PRO 43 7.451 -3.231 6.478
305 2HB PRO 43 1HB PRO 43 7.761 -1.612 7.130
306 1HG PRO 43 2HG PRO 43 6.129 -2.423 4.753
307 2HG PRO 43 1HG PRO 43 5.767 -1.213 6.002
308 1HD PRO 43 2HD PRO 43 6.778 -0.613 3.515
309 2HD PRO 43 1HD PRO 43 6.996 0.406 4.954
310 H LYS 44 H LYS 44 9.078 -4.476 6.174
311 HA LYS 44 HA LYS 44 9.587 -5.569 3.492
312 1HB LYS 44 2HB LYS 44 10.975 -5.933 5.846
313 2HB LYS 44 1HB LYS 44 9.979 -7.378 5.762
314 1HG LYS 44 2HG LYS 44 10.925 -8.033 3.705
315 2HG LYS 44 1HG LYS 44 11.673 -6.453 3.462
316 1HD LYS 44 2HD LYS 44 13.467 -6.998 4.685
317 2HD LYS 44 1HD LYS 44 12.483 -7.726 5.957
318 1HE LYS 44 2HE LYS 44 12.177 -9.603 4.101
319 2HE LYS 44 1HE LYS 44 13.729 -8.965 3.563
320 1HZ LYS 44 1HZ LYS 44 14.429 -10.520 5.044
321 2HZ LYS 44 2HZ LYS 44 13.058 -10.393 6.026
322 3HZ LYS 44 3HZ LYS 44 14.269 -9.215 6.109
323 H VAL 45 H VAL 45 8.949 -8.180 3.802
324 HA VAL 45 HA VAL 45 6.267 -8.418 4.877
325 HB VAL 45 HB VAL 45 5.403 -9.292 2.651
326 1HG1 VAL 45 1HG1 VAL 45 4.765 -7.072 1.878
327 2HG1 VAL 45 2HG1 VAL 45 6.046 -6.351 2.854
328 3HG1 VAL 45 3HG1 VAL 45 4.691 -7.166 3.638
329 1HG2 VAL 45 1HG2 VAL 45 6.565 -9.059 0.732
330 2HG2 VAL 45 2HG2 VAL 45 7.959 -9.045 1.812
331 3HG2 VAL 45 3HG2 VAL 45 7.281 -7.526 1.228
332 H LYS 46 H LYS 46 5.382 -10.658 4.449
333 HA LYS 46 HA LYS 46 7.389 -12.564 5.113
334 1HB LYS 46 2HB LYS 46 4.445 -12.438 5.124
335 2HB LYS 46 1HB LYS 46 5.124 -14.037 4.864
336 1HG LYS 46 2HG LYS 46 6.497 -12.759 7.023
337 2HG LYS 46 1HG LYS 46 4.757 -12.678 7.294
338 1HD LYS 46 2HD LYS 46 4.896 -14.767 8.063
339 2HD LYS 46 1HD LYS 46 5.177 -15.269 6.396
340 1HE LYS 46 2HE LYS 46 7.345 -15.711 6.774
341 2HE LYS 46 1HE LYS 46 7.565 -14.265 7.757
342 1HZ LYS 46 1HZ LYS 46 7.083 -15.371 9.658
343 2HZ LYS 46 2HZ LYS 46 7.677 -16.683 8.773
344 3HZ LYS 46 3HZ LYS 46 6.010 -16.446 8.915
345 HA PRO 47 HA PRO 47 7.802 -14.572 1.213
346 1HB PRO 47 2HB PRO 47 7.517 -17.259 1.900
347 2HB PRO 47 1HB PRO 47 8.989 -16.315 2.003
348 1HG PRO 47 2HG PRO 47 7.406 -17.352 4.109
349 2HG PRO 47 1HG PRO 47 8.940 -16.492 4.208
350 1HD PRO 47 2HD PRO 47 6.272 -15.534 4.764
351 2HD PRO 47 1HD PRO 47 7.834 -14.747 5.058
352 H GLY 48 H GLY 48 6.176 -14.131 -0.158
353 1HA GLY 48 2HA GLY 48 4.546 -15.644 -1.442
354 2HA GLY 48 1HA GLY 48 3.666 -15.656 0.085
355 H VAL 49 H VAL 49 3.921 -13.071 0.894
356 HA VAL 49 HA VAL 49 2.036 -11.739 -0.818
357 HB VAL 49 HB VAL 49 1.686 -11.562 1.534
358 1HG1 VAL 49 1HG1 VAL 49 3.550 -10.118 2.775
359 2HG1 VAL 49 2HG1 VAL 49 4.568 -10.936 1.590
360 3HG1 VAL 49 3HG1 VAL 49 3.582 -11.879 2.708
361 1HG2 VAL 49 1HG2 VAL 49 2.786 -8.846 0.958
362 2HG2 VAL 49 2HG2 VAL 49 1.265 -9.303 1.724
363 3HG2 VAL 49 3HG2 VAL 49 1.460 -9.472 -0.021
364 H ASN 50 H ASN 50 2.378 -9.985 -2.103
365 HA ASN 50 HA ASN 50 5.158 -9.311 -2.667
366 1HB ASN 50 2HB ASN 50 2.740 -8.329 -4.168
367 2HB ASN 50 1HB ASN 50 4.402 -8.435 -4.740
368 1HD2 ASN 50 1HD2 ASN 50 1.681 -9.647 -5.509
369 2HD2 ASN 50 2HD2 ASN 50 2.054 -11.321 -5.765
370 H LEU 51 H LEU 51 5.863 -7.142 -2.887
371 HA LEU 51 HA LEU 51 4.283 -4.962 -1.902
372 1HB LEU 51 2HB LEU 51 4.820 -5.834 0.231
373 2HB LEU 51 1HB LEU 51 6.474 -6.172 -0.237
374 HG LEU 51 HG LEU 51 6.718 -3.610 -0.461
375 1HD1 LEU 51 1HD1 LEU 51 4.471 -3.568 1.513
376 2HD1 LEU 51 2HD1 LEU 51 4.162 -3.379 -0.213
377 3HD1 LEU 51 3HD1 LEU 51 5.205 -2.231 0.627
378 1HD2 LEU 51 1HD2 LEU 51 6.298 -4.342 2.374
379 2HD2 LEU 51 2HD2 LEU 51 7.693 -3.607 1.584
380 3HD2 LEU 51 3HD2 LEU 51 7.408 -5.343 1.438
381 H ASN 52 H ASN 52 5.242 -2.930 -2.312
382 HA ASN 52 HA ASN 52 7.956 -2.777 -3.255
383 1HB ASN 52 2HB ASN 52 6.984 -1.643 -5.466
384 2HB ASN 52 1HB ASN 52 7.375 -3.356 -5.377
385 1HD2 ASN 52 1HD2 ASN 52 4.619 -1.294 -4.436
386 2HD2 ASN 52 2HD2 ASN 52 3.431 -2.279 -5.197
387 H CYS 53 H CYS 53 8.773 -0.900 -2.671
388 HA CYS 53 HA CYS 53 7.040 1.235 -1.766
389 1HB CYS 53 2HB CYS 53 10.053 1.266 -1.829
390 2HB CYS 53 1HB CYS 53 8.967 2.141 -0.756
391 H CYS 54 H CYS 54 7.402 3.459 -2.436
392 HA CYS 54 HA CYS 54 8.813 4.016 -4.873
393 1HB CYS 54 2HB CYS 54 6.603 4.875 -5.950
394 2HB CYS 54 1HB CYS 54 7.008 3.162 -6.071
395 H ARG 55 H ARG 55 8.701 6.198 -5.505
396 HA ARG 55 HA ARG 55 8.010 7.963 -3.277
397 1HB ARG 55 2HB ARG 55 10.122 8.957 -4.969
398 2HB ARG 55 1HB ARG 55 10.106 8.670 -3.240
399 1HG ARG 55 2HG ARG 55 10.434 6.174 -3.967
400 2HG ARG 55 1HG ARG 55 11.066 6.927 -5.437
401 1HD ARG 55 2HD ARG 55 12.971 7.474 -4.419
402 2HD ARG 55 1HD ARG 55 12.111 8.206 -3.065
403 HE ARG 55 HE ARG 55 11.976 5.435 -2.773
404 1HH1 ARG 55 1HH1 ARG 55 14.382 7.963 -2.734
405 2HH1 ARG 55 2HH1 ARG 55 15.426 7.124 -1.635
406 1HH2 ARG 55 1HH2 ARG 55 13.347 4.330 -1.327
407 2HH2 ARG 55 2HH2 ARG 55 14.838 5.061 -0.837
408 H THR 56 H THR 56 6.153 7.470 -5.308
409 HA THR 56 HA THR 56 6.144 10.074 -6.681
410 HB THR 56 HB THR 56 4.702 7.858 -8.004
411 HG1 THR 56 1HG THR 56 7.526 8.008 -8.153
412 1HG2 THR 56 1HG2 THR 56 4.829 9.203 -9.749
413 2HG2 THR 56 2HG2 THR 56 6.589 9.255 -9.640
414 3HG2 THR 56 3HG2 THR 56 5.613 10.400 -8.718
415 H ASP 57 H ASP 57 4.059 10.992 -7.055
416 HA ASP 57 HA ASP 57 2.266 10.663 -4.900
417 1HB ASP 57 2HB ASP 57 2.266 12.234 -7.442
418 2HB ASP 57 1HB ASP 57 0.753 12.075 -6.547
419 H ARG 58 H ARG 58 0.647 9.272 -4.614
420 HA ARG 58 HA ARG 58 -0.902 7.648 -4.997
421 1HB ARG 58 2HB ARG 58 -0.982 8.930 -7.736
422 2HB ARG 58 1HB ARG 58 -2.144 7.742 -7.149
423 1HG ARG 58 2HG ARG 58 -2.781 9.287 -5.346
424 2HG ARG 58 1HG ARG 58 -1.655 10.481 -5.995
425 1HD ARG 58 2HD ARG 58 -2.905 10.671 -8.015
426 2HD ARG 58 1HD ARG 58 -3.916 9.291 -7.588
427 HE ARG 58 HE ARG 58 -4.380 11.009 -5.567
428 1HH1 ARG 58 1HH1 ARG 58 -4.450 11.384 -9.036
429 2HH1 ARG 58 2HH1 ARG 58 -5.669 12.613 -9.003
430 1HH2 ARG 58 1HH2 ARG 58 -5.983 12.624 -5.522
431 2HH2 ARG 58 2HH2 ARG 58 -6.539 13.317 -7.008
432 H CYS 59 H CYS 59 1.925 7.139 -5.474
433 HA CYS 59 HA CYS 59 2.224 5.477 -7.754
434 1HB CYS 59 2HB CYS 59 4.386 4.999 -6.909
435 2HB CYS 59 1HB CYS 59 4.058 6.682 -6.506
436 H ASN 60 H ASN 60 0.774 4.984 -4.703
437 HA ASN 60 HA ASN 60 1.026 2.060 -4.944
438 1HB ASN 60 2HB ASN 60 0.295 1.985 -2.590
439 2HB ASN 60 1HB ASN 60 1.742 2.975 -2.791
440 1HD2 ASN 60 1HD2 ASN 60 1.001 3.745 -0.658
441 2HD2 ASN 60 2HD2 ASN 60 -0.123 5.067 -0.617
442 H ASN 61 H ASN 61 -0.776 3.747 -6.556
443 HA ASN 61 HA ASN 61 -3.423 3.532 -5.592
444 1HB ASN 61 2HB ASN 61 -4.073 4.077 -7.881
445 2HB ASN 61 1HB ASN 61 -2.758 5.115 -7.351
446 1HD2 ASN 61 1HD2 ASN 61 -1.169 5.375 -8.726
447 2HD2 ASN 61 2HD2 ASN 61 -0.735 4.288 -10.009
Start of MODEL 16
1 1H LEU 1 1HT LEU 1 4.163 13.573 1.575
2 2H LEU 1 2HT LEU 1 3.180 14.936 1.228
3 3H LEU 1 3HT LEU 1 4.708 14.761 0.467
4 HA LEU 1 HA LEU 1 3.216 14.156 -1.134
5 1HB LEU 1 2HB LEU 1 4.972 12.316 0.047
6 2HB LEU 1 1HB LEU 1 3.516 11.403 -0.294
7 HG LEU 1 HG LEU 1 4.540 13.110 -2.489
8 1HD1 LEU 1 1HD1 LEU 1 6.392 11.881 -3.020
9 2HD1 LEU 1 2HD1 LEU 1 5.838 10.458 -2.139
10 3HD1 LEU 1 3HD1 LEU 1 6.488 11.841 -1.260
11 1HD2 LEU 1 1HD2 LEU 1 3.506 11.577 -3.831
12 2HD2 LEU 1 2HD2 LEU 1 2.531 11.409 -2.372
13 3HD2 LEU 1 3HD2 LEU 1 3.802 10.239 -2.722
14 H GLU 2 H GLU 2 1.347 12.931 -1.841
15 HA GLU 2 HA GLU 2 -0.566 12.424 0.343
16 1HB GLU 2 2HB GLU 2 -1.092 14.462 -0.965
17 2HB GLU 2 1HB GLU 2 -1.179 13.482 -2.422
18 1HG GLU 2 2HG GLU 2 -3.021 12.190 -1.368
19 2HG GLU 2 1HG GLU 2 -2.985 13.329 -0.023
20 H CYS 3 H CYS 3 0.409 10.213 0.154
21 HA CYS 3 HA CYS 3 -0.222 8.667 -2.182
22 1HB CYS 3 2HB CYS 3 0.768 7.848 0.557
23 2HB CYS 3 1HB CYS 3 0.647 6.781 -0.838
24 H HIS 4 H HIS 4 -1.187 6.328 -1.402
25 HA HIS 4 HA HIS 4 -3.893 6.985 -0.500
26 1HB HIS 4 2HB HIS 4 -2.741 4.634 -2.004
27 2HB HIS 4 1HB HIS 4 -4.387 4.636 -1.366
28 HD1 HIS 4 1HD HIS 4 -5.815 6.873 -2.244
29 HD2 HIS 4 2HD HIS 4 -2.618 5.544 -4.541
30 HE1 HIS 4 1HE HIS 4 -6.183 7.847 -4.531
31 HE2 HIS 4 2HE HIS 4 -4.309 6.918 -5.936
32 H ASN 5 H ASN 5 -4.933 4.878 0.603
33 HA ASN 5 HA ASN 5 -3.321 3.339 2.322
34 1HB ASN 5 2HB ASN 5 -3.913 4.436 4.483
35 2HB ASN 5 1HB ASN 5 -2.839 5.407 3.472
36 1HD2 ASN 5 1HD2 ASN 5 -4.853 6.040 5.617
37 2HD2 ASN 5 2HD2 ASN 5 -5.852 7.274 4.912
38 H GLN 6 H GLN 6 -5.601 3.001 0.623
39 HA GLN 6 HA GLN 6 -7.495 1.941 2.608
40 1HB GLN 6 2HB GLN 6 -9.318 2.416 0.916
41 2HB GLN 6 1HB GLN 6 -8.633 3.819 1.723
42 1HG GLN 6 2HG GLN 6 -8.634 4.601 -0.396
43 2HG GLN 6 1HG GLN 6 -7.060 3.808 -0.409
44 1HE2 GLN 6 1HE2 GLN 6 -7.069 3.458 -2.606
45 2HE2 GLN 6 2HE2 GLN 6 -8.117 2.303 -3.369
46 H GLN 7 H GLN 7 -7.624 -0.189 2.470
47 HA GLN 7 HA GLN 7 -6.612 -1.606 0.188
48 1HB GLN 7 2HB GLN 7 -6.942 -3.572 1.520
49 2HB GLN 7 1HB GLN 7 -6.277 -2.328 2.560
50 1HG GLN 7 2HG GLN 7 -8.601 -1.856 3.341
51 2HG GLN 7 1HG GLN 7 -9.129 -3.270 2.430
52 1HE2 GLN 7 1HE2 GLN 7 -9.375 -2.880 5.235
53 2HE2 GLN 7 2HE2 GLN 7 -8.442 -4.120 6.017
54 H SER 8 H SER 8 -8.452 -3.852 0.330
55 HA SER 8 HA SER 8 -10.199 -3.287 -1.704
56 1HB SER 8 2HB SER 8 -11.469 -5.289 -1.023
57 2HB SER 8 1HB SER 8 -9.724 -5.575 -0.984
58 HG SER 8 HG SER 8 -11.559 -5.552 1.068
59 H SER 9 H SER 9 -11.760 -1.859 -1.839
60 HA SER 9 HA SER 9 -14.123 -1.727 -0.590
61 1HB SER 9 2HB SER 9 -12.031 -0.525 1.150
62 2HB SER 9 1HB SER 9 -13.535 0.381 0.987
63 HG SER 9 HG SER 9 -13.965 -0.971 2.614
64 H GLN 10 H GLN 10 -15.098 -0.676 -2.181
65 HA GLN 10 HA GLN 10 -13.995 1.041 -4.009
66 1HB GLN 10 2HB GLN 10 -16.765 0.536 -3.071
67 2HB GLN 10 1HB GLN 10 -16.494 1.958 -4.072
68 1HG GLN 10 2HG GLN 10 -15.231 -0.455 -5.103
69 2HG GLN 10 1HG GLN 10 -16.987 -0.569 -4.978
70 1HE2 GLN 10 1HE2 GLN 10 -18.271 0.697 -6.274
71 2HE2 GLN 10 2HE2 GLN 10 -17.648 1.614 -7.610
72 H ALA 11 H ALA 11 -15.063 3.386 -4.301
73 HA ALA 11 HA ALA 11 -14.879 5.579 -3.719
74 1HB ALA 11 1HB ALA 11 -16.644 5.616 -2.301
75 2HB ALA 11 2HB ALA 11 -15.383 5.890 -1.100
76 3HB ALA 11 3HB ALA 11 -16.037 4.269 -1.338
77 HA PRO 12 HA PRO 12 -10.480 4.530 -2.291
78 1HB PRO 12 2HB PRO 12 -10.228 6.621 -4.425
79 2HB PRO 12 1HB PRO 12 -9.161 5.256 -4.057
80 1HG PRO 12 2HG PRO 12 -10.824 5.039 -6.076
81 2HG PRO 12 1HG PRO 12 -10.665 3.689 -4.926
82 1HD PRO 12 2HD PRO 12 -12.846 5.734 -5.152
83 2HD PRO 12 1HD PRO 12 -12.965 3.991 -4.819
84 H THR 13 H THR 13 -8.802 6.164 -1.589
85 HA THR 13 HA THR 13 -9.848 8.773 -0.845
86 HB THR 13 HB THR 13 -8.613 7.228 1.382
87 HG1 THR 13 1HG THR 13 -10.516 6.245 1.895
88 1HG2 THR 13 1HG2 THR 13 -10.847 8.553 2.297
89 2HG2 THR 13 2HG2 THR 13 -10.190 9.633 1.067
90 3HG2 THR 13 3HG2 THR 13 -9.177 9.107 2.412
91 H THR 14 H THR 14 -8.073 9.989 0.457
92 HA THR 14 HA THR 14 -5.392 9.196 -0.420
93 HB THR 14 HB THR 14 -4.905 11.421 -1.271
94 HG1 THR 14 1HG THR 14 -6.568 12.962 -1.411
95 1HG2 THR 14 1HG2 THR 14 -6.498 11.570 -3.183
96 2HG2 THR 14 2HG2 THR 14 -7.402 10.243 -2.452
97 3HG2 THR 14 3HG2 THR 14 -5.736 9.993 -2.971
98 H LYS 15 H LYS 15 -3.789 9.689 0.989
99 HA LYS 15 HA LYS 15 -4.372 11.503 3.214
100 1HB LYS 15 2HB LYS 15 -4.752 8.949 3.702
101 2HB LYS 15 1HB LYS 15 -2.997 8.910 3.802
102 1HG LYS 15 2HG LYS 15 -3.306 10.901 5.441
103 2HG LYS 15 1HG LYS 15 -4.962 10.302 5.563
104 1HD LYS 15 2HD LYS 15 -4.124 8.103 6.222
105 2HD LYS 15 1HD LYS 15 -2.465 8.687 6.079
106 1HE LYS 15 2HE LYS 15 -4.508 9.897 7.932
107 2HE LYS 15 1HE LYS 15 -3.384 8.628 8.415
108 1HZ LYS 15 1HZ LYS 15 -2.680 10.964 8.929
109 2HZ LYS 15 2HZ LYS 15 -2.491 11.208 7.266
110 3HZ LYS 15 3HZ LYS 15 -1.552 10.047 8.060
111 H THR 16 H THR 16 -2.493 12.316 4.289
112 HA THR 16 HA THR 16 -0.052 12.095 2.653
113 HB THR 16 HB THR 16 -1.087 14.322 2.561
114 HG1 THR 16 1HG THR 16 1.296 14.315 4.098
115 1HG2 THR 16 1HG2 THR 16 -0.556 14.506 5.514
116 2HG2 THR 16 2HG2 THR 16 -2.151 14.318 4.786
117 3HG2 THR 16 3HG2 THR 16 -1.202 15.768 4.467
118 H CYS 17 H CYS 17 1.985 12.224 3.751
119 HA CYS 17 HA CYS 17 1.838 11.157 6.487
120 1HB CYS 17 2HB CYS 17 4.229 11.031 4.648
121 2HB CYS 17 1HB CYS 17 3.922 10.075 6.101
122 H SER 18 H SER 18 3.511 11.814 8.007
123 HA SER 18 HA SER 18 4.428 14.571 7.521
124 1HB SER 18 2HB SER 18 4.361 14.372 10.247
125 2HB SER 18 1HB SER 18 3.063 15.047 9.263
126 HG SER 18 HG SER 18 3.284 12.365 10.168
127 H GLY 19 H GLY 19 6.527 14.324 6.983
128 1HA GLY 19 2HA GLY 19 8.763 14.279 7.845
129 2HA GLY 19 1HA GLY 19 8.253 13.042 8.992
130 H GLU 20 H GLU 20 6.789 11.586 6.842
131 HA GLU 20 HA GLU 20 8.833 9.799 6.112
132 1HB GLU 20 2HB GLU 20 5.968 10.159 5.294
133 2HB GLU 20 1HB GLU 20 6.983 8.979 4.469
134 1HG GLU 20 2HG GLU 20 6.870 8.948 7.441
135 2HG GLU 20 1HG GLU 20 5.509 8.305 6.524
136 H THR 21 H THR 21 8.746 9.105 3.572
137 HA THR 21 HA THR 21 8.979 11.429 1.852
138 HB THR 21 HB THR 21 11.357 9.619 1.929
139 HG1 THR 21 1HG THR 21 12.312 10.999 3.449
140 1HG2 THR 21 1HG2 THR 21 10.895 12.475 1.140
141 2HG2 THR 21 2HG2 THR 21 11.425 11.129 0.131
142 3HG2 THR 21 3HG2 THR 21 12.505 11.790 1.359
143 H ASN 22 H ASN 22 9.504 7.941 2.160
144 HA ASN 22 HA ASN 22 8.623 7.621 -0.630
145 1HB ASN 22 2HB ASN 22 9.796 5.343 0.901
146 2HB ASN 22 1HB ASN 22 9.914 5.722 -0.819
147 1HD2 ASN 22 1HD2 ASN 22 11.980 5.016 1.118
148 2HD2 ASN 22 2HD2 ASN 22 13.128 6.317 1.084
149 H CYS 23 H CYS 23 7.059 6.068 -1.160
150 HA CYS 23 HA CYS 23 5.373 5.189 1.081
151 1HB CYS 23 2HB CYS 23 4.715 6.315 -1.616
152 2HB CYS 23 1HB CYS 23 3.590 5.203 -0.842
153 H TYR 24 H TYR 24 3.793 3.348 0.037
154 HA TYR 24 HA TYR 24 5.164 1.610 -1.791
155 1HB TYR 24 2HB TYR 24 5.476 -0.266 -0.248
156 2HB TYR 24 1HB TYR 24 6.428 1.134 0.246
157 HD1 TYR 24 1HD TYR 24 5.619 2.535 2.170
158 HD2 TYR 24 2HD TYR 24 3.847 -1.204 1.182
159 HE1 TYR 24 1HE TYR 24 4.615 2.426 4.411
160 HE2 TYR 24 2HE TYR 24 2.838 -1.323 3.422
161 HH TYR 24 HH TYR 24 2.147 0.474 5.227
162 H LYS 25 H LYS 25 4.074 -0.671 -1.652
163 HA LYS 25 HA LYS 25 1.286 -0.674 -0.943
164 1HB LYS 25 2HB LYS 25 1.633 0.489 -3.296
165 2HB LYS 25 1HB LYS 25 1.791 -1.176 -3.847
166 1HG LYS 25 2HG LYS 25 -0.477 -1.140 -2.218
167 2HG LYS 25 1HG LYS 25 -0.574 0.318 -3.206
168 1HD LYS 25 2HD LYS 25 0.013 -2.395 -4.368
169 2HD LYS 25 1HD LYS 25 -1.630 -1.779 -4.172
170 1HE LYS 25 2HE LYS 25 -1.340 -0.920 -6.221
171 2HE LYS 25 1HE LYS 25 -0.390 0.318 -5.400
172 1HZ LYS 25 1HZ LYS 25 1.197 -0.325 -6.823
173 2HZ LYS 25 2HZ LYS 25 0.476 -1.821 -7.141
174 3HZ LYS 25 3HZ LYS 25 1.428 -1.619 -5.758
175 H LYS 26 H LYS 26 0.797 -2.693 -0.343
176 HA LYS 26 HA LYS 26 2.424 -4.879 -1.462
177 1HB LYS 26 2HB LYS 26 2.014 -6.043 0.744
178 2HB LYS 26 1HB LYS 26 3.107 -4.679 0.772
179 1HG LYS 26 2HG LYS 26 0.593 -3.601 1.306
180 2HG LYS 26 1HG LYS 26 0.676 -5.099 2.232
181 1HD LYS 26 2HD LYS 26 3.024 -3.272 2.292
182 2HD LYS 26 1HD LYS 26 1.584 -2.815 3.204
183 1HE LYS 26 2HE LYS 26 3.348 -4.155 4.448
184 2HE LYS 26 1HE LYS 26 1.689 -4.744 4.545
185 1HZ LYS 26 1HZ LYS 26 3.778 -5.791 2.712
186 2HZ LYS 26 2HZ LYS 26 2.195 -6.370 2.844
187 3HZ LYS 26 3HZ LYS 26 3.266 -6.537 4.142
188 H TRP 27 H TRP 27 1.454 -6.975 -1.429
189 HA TRP 27 HA TRP 27 -1.367 -7.228 -1.062
190 1HB TRP 27 2HB TRP 27 -1.806 -7.969 -3.434
191 2HB TRP 27 1HB TRP 27 -1.595 -6.257 -3.201
192 HD1 TRP 27 HD TRP 27 -0.250 -9.152 -5.007
193 HE1 TRP 27 1HE TRP 27 1.644 -8.425 -6.569
194 HE3 TRP 27 3HE TRP 27 0.402 -4.376 -3.328
195 HZ2 TRP 27 2HZ TRP 27 3.224 -6.135 -7.041
196 HZ3 TRP 27 3HZ TRP 27 2.122 -2.986 -4.387
197 HH2 TRP 27 HH TRP 27 3.504 -3.843 -6.207
198 H TRP 28 H TRP 28 -2.139 -9.339 -1.302
199 HA TRP 28 HA TRP 28 -0.255 -11.468 -1.883
200 1HB TRP 28 2HB TRP 28 -0.548 -12.518 0.352
201 2HB TRP 28 1HB TRP 28 0.265 -10.959 0.451
202 HD1 TRP 28 HD TRP 28 -2.897 -12.719 1.463
203 HE1 TRP 28 1HE TRP 28 -4.221 -11.187 3.007
204 HE3 TRP 28 3HE TRP 28 -0.172 -8.424 0.951
205 HZ2 TRP 28 2HZ TRP 28 -4.158 -8.531 3.940
206 HZ3 TRP 28 3HZ TRP 28 -0.870 -6.432 2.213
207 HH2 TRP 28 HH TRP 28 -2.826 -6.487 3.677
208 H SER 29 H SER 29 -1.590 -13.612 -0.877
209 HA SER 29 HA SER 29 -4.409 -13.362 -1.548
210 1HB SER 29 2HB SER 29 -2.565 -15.239 -3.050
211 2HB SER 29 1HB SER 29 -4.326 -15.196 -3.197
212 HG SER 29 HG SER 29 -2.648 -13.830 -4.609
213 H ASP 30 H ASP 30 -5.702 -14.993 -0.660
214 HA ASP 30 HA ASP 30 -4.498 -17.300 0.561
215 1HB ASP 30 2HB ASP 30 -3.918 -15.664 2.254
216 2HB ASP 30 1HB ASP 30 -5.591 -15.108 2.338
217 H HIS 31 H HIS 31 -7.335 -15.756 1.961
218 HA HIS 31 HA HIS 31 -8.971 -17.887 0.758
219 1HB HIS 31 2HB HIS 31 -10.436 -17.680 2.709
220 2HB HIS 31 1HB HIS 31 -8.781 -18.019 3.202
221 HD1 HIS 31 1HD HIS 31 -7.396 -15.802 3.996
222 HD2 HIS 31 2HD HIS 31 -11.542 -15.527 3.936
223 HE1 HIS 31 1HE HIS 31 -7.960 -13.821 5.439
224 HE2 HIS 31 2HE HIS 31 -10.478 -13.727 5.458
225 H ARG 32 H ARG 32 -8.822 -14.447 1.471
226 HA ARG 32 HA ARG 32 -11.402 -13.990 0.198
227 1HB ARG 32 2HB ARG 32 -9.644 -12.501 2.008
228 2HB ARG 32 1HB ARG 32 -10.343 -11.502 0.734
229 1HG ARG 32 2HG ARG 32 -12.577 -12.197 1.390
230 2HG ARG 32 1HG ARG 32 -11.898 -13.250 2.633
231 1HD ARG 32 2HD ARG 32 -10.820 -10.625 2.950
232 2HD ARG 32 1HD ARG 32 -12.576 -10.512 2.831
233 HE ARG 32 HE ARG 32 -11.049 -11.660 4.980
234 1HH1 ARG 32 1HH1 ARG 32 -14.144 -11.620 3.367
235 2HH1 ARG 32 2HH1 ARG 32 -15.015 -12.181 4.754
236 1HH2 ARG 32 1HH2 ARG 32 -12.193 -12.401 6.806
237 2HH2 ARG 32 2HH2 ARG 32 -13.909 -12.625 6.706
238 H GLY 33 H GLY 33 -9.137 -14.999 -1.369
239 1HA GLY 33 2HA GLY 33 -8.536 -14.686 -3.585
240 2HA GLY 33 1HA GLY 33 -9.341 -13.117 -3.547
241 H THR 34 H THR 34 -8.038 -11.446 -3.792
242 HA THR 34 HA THR 34 -5.298 -11.634 -2.739
243 HB THR 34 HB THR 34 -6.136 -10.287 -5.311
244 HG1 THR 34 1HG THR 34 -5.894 -12.195 -6.111
245 1HG2 THR 34 1HG2 THR 34 -3.310 -10.894 -4.835
246 2HG2 THR 34 2HG2 THR 34 -3.984 -9.613 -3.828
247 3HG2 THR 34 3HG2 THR 34 -4.066 -9.488 -5.585
248 H ILE 35 H ILE 35 -4.962 -10.181 -1.199
249 HA ILE 35 HA ILE 35 -6.622 -7.763 -1.124
250 HB ILE 35 HB ILE 35 -4.783 -8.781 1.041
251 1HG1 ILE 35 2HG1 ILE 35 -7.762 -9.236 0.752
252 2HG1 ILE 35 1HG1 ILE 35 -6.525 -10.458 0.471
253 1HG2 ILE 35 1HG2 ILE 35 -5.215 -6.656 1.699
254 2HG2 ILE 35 2HG2 ILE 35 -6.681 -7.413 2.324
255 3HG2 ILE 35 3HG2 ILE 35 -6.718 -6.559 0.781
256 1HD1 ILE 35 1HD1 ILE 35 -5.924 -9.564 2.989
257 2HD1 ILE 35 2HD1 ILE 35 -6.844 -11.017 2.598
258 3HD1 ILE 35 3HD1 ILE 35 -7.687 -9.510 2.960
259 H ILE 36 H ILE 36 -5.681 -5.696 -0.755
260 HA ILE 36 HA ILE 36 -2.792 -5.471 -1.175
261 HB ILE 36 HB ILE 36 -2.980 -3.869 -2.943
262 1HG1 ILE 36 2HG1 ILE 36 -5.977 -4.138 -2.610
263 2HG1 ILE 36 1HG1 ILE 36 -5.008 -2.711 -2.257
264 1HG2 ILE 36 1HG2 ILE 36 -3.270 -5.376 -4.578
265 2HG2 ILE 36 2HG2 ILE 36 -4.912 -5.766 -4.066
266 3HG2 ILE 36 3HG2 ILE 36 -3.536 -6.510 -3.254
267 1HD1 ILE 36 1HD1 ILE 36 -5.581 -2.034 -4.294
268 2HD1 ILE 36 2HD1 ILE 36 -6.112 -3.645 -4.776
269 3HD1 ILE 36 3HD1 ILE 36 -4.406 -3.211 -4.881
270 H GLU 37 H GLU 37 -1.892 -3.937 0.123
271 HA GLU 37 HA GLU 37 -3.670 -1.855 1.197
272 1HB GLU 37 2HB GLU 37 -1.835 -2.183 3.196
273 2HB GLU 37 1HB GLU 37 -3.461 -2.865 3.190
274 1HG GLU 37 2HG GLU 37 -2.700 -4.965 2.553
275 2HG GLU 37 1HG GLU 37 -1.149 -4.344 2.000
276 H ARG 38 H ARG 38 -2.432 0.013 2.129
277 HA ARG 38 HA ARG 38 0.070 0.479 0.646
278 1HB ARG 38 2HB ARG 38 -2.293 2.329 0.955
279 2HB ARG 38 1HB ARG 38 -0.708 2.882 0.435
280 1HG ARG 38 2HG ARG 38 -1.651 2.555 -1.596
281 2HG ARG 38 1HG ARG 38 -1.021 0.928 -1.329
282 1HD ARG 38 2HD ARG 38 -3.069 0.043 -1.256
283 2HD ARG 38 1HD ARG 38 -3.658 1.300 -0.169
284 HE ARG 38 HE ARG 38 -3.554 2.571 -2.543
285 1HH1 ARG 38 1HH1 ARG 38 -4.969 -0.463 -1.552
286 2HH1 ARG 38 2HH1 ARG 38 -6.240 -0.396 -2.725
287 1HH2 ARG 38 1HH2 ARG 38 -5.226 2.659 -4.086
288 2HH2 ARG 38 2HH2 ARG 38 -6.386 1.375 -4.163
289 H GLY 39 H GLY 39 1.060 2.676 1.529
290 1HA GLY 39 2HA GLY 39 0.664 3.506 4.152
291 2HA GLY 39 1HA GLY 39 1.798 2.166 4.218
292 H CYS 40 H CYS 40 3.060 4.065 5.169
293 HA CYS 40 HA CYS 40 4.472 5.457 2.988
294 1HB CYS 40 2HB CYS 40 3.129 6.591 5.159
295 2HB CYS 40 1HB CYS 40 4.837 6.682 5.597
296 H GLY 41 H GLY 41 6.296 4.348 2.643
297 1HA GLY 41 2HA GLY 41 8.562 4.416 4.011
298 2HA GLY 41 1HA GLY 41 7.718 3.143 4.891
299 H CYS 42 H CYS 42 9.525 1.792 4.229
300 HA CYS 42 HA CYS 42 8.888 0.328 1.842
301 1HB CYS 42 2HB CYS 42 10.305 2.195 0.976
302 2HB CYS 42 1HB CYS 42 11.617 1.629 2.012
303 HA PRO 43 HA PRO 43 11.054 -1.949 5.337
304 1HB PRO 43 2HB PRO 43 8.967 -3.183 6.476
305 2HB PRO 43 1HB PRO 43 9.391 -1.513 6.888
306 1HG PRO 43 2HG PRO 43 7.256 -2.531 5.050
307 2HG PRO 43 1HG PRO 43 7.177 -1.216 6.243
308 1HD PRO 43 2HD PRO 43 7.552 -0.834 3.546
309 2HD PRO 43 1HD PRO 43 8.092 0.306 4.800
310 H LYS 44 H LYS 44 10.382 -4.463 5.922
311 HA LYS 44 HA LYS 44 10.551 -5.809 3.334
312 1HB LYS 44 2HB LYS 44 11.535 -6.333 6.049
313 2HB LYS 44 1HB LYS 44 10.903 -7.759 5.238
314 1HG LYS 44 2HG LYS 44 13.040 -7.887 4.519
315 2HG LYS 44 1HG LYS 44 12.416 -6.818 3.262
316 1HD LYS 44 2HD LYS 44 14.468 -5.887 4.055
317 2HD LYS 44 1HD LYS 44 13.152 -4.878 4.660
318 1HE LYS 44 2HE LYS 44 14.203 -5.101 6.635
319 2HE LYS 44 1HE LYS 44 13.397 -6.668 6.679
320 1HZ LYS 44 1HZ LYS 44 15.314 -7.765 6.316
321 2HZ LYS 44 2HZ LYS 44 16.013 -6.371 6.967
322 3HZ LYS 44 3HZ LYS 44 15.948 -6.579 5.290
323 H VAL 45 H VAL 45 9.645 -8.294 3.802
324 HA VAL 45 HA VAL 45 6.989 -8.195 4.962
325 HB VAL 45 HB VAL 45 5.928 -9.056 2.855
326 1HG1 VAL 45 1HG1 VAL 45 5.310 -6.953 2.191
327 2HG1 VAL 45 2HG1 VAL 45 6.957 -6.325 2.270
328 3HG1 VAL 45 3HG1 VAL 45 6.040 -6.586 3.754
329 1HG2 VAL 45 1HG2 VAL 45 7.458 -9.729 1.334
330 2HG2 VAL 45 2HG2 VAL 45 8.666 -8.561 1.870
331 3HG2 VAL 45 3HG2 VAL 45 7.353 -8.049 0.809
332 H LYS 46 H LYS 46 5.866 -10.382 4.623
333 HA LYS 46 HA LYS 46 7.684 -12.418 5.412
334 1HB LYS 46 2HB LYS 46 4.793 -12.931 4.850
335 2HB LYS 46 1HB LYS 46 5.820 -13.623 6.092
336 1HG LYS 46 2HG LYS 46 5.850 -11.092 6.915
337 2HG LYS 46 1HG LYS 46 4.287 -11.102 6.093
338 1HD LYS 46 2HD LYS 46 3.583 -13.014 7.434
339 2HD LYS 46 1HD LYS 46 5.156 -13.046 8.234
340 1HE LYS 46 2HE LYS 46 4.750 -11.033 9.358
341 2HE LYS 46 1HE LYS 46 3.425 -10.595 8.281
342 1HZ LYS 46 1HZ LYS 46 2.433 -12.810 9.280
343 2HZ LYS 46 2HZ LYS 46 2.242 -11.320 10.057
344 3HZ LYS 46 3HZ LYS 46 3.436 -12.400 10.578
345 HA PRO 47 HA PRO 47 7.864 -14.659 1.607
346 1HB PRO 47 2HB PRO 47 7.483 -17.270 2.427
347 2HB PRO 47 1HB PRO 47 8.979 -16.372 2.579
348 1HG PRO 47 2HG PRO 47 7.212 -17.252 4.624
349 2HG PRO 47 1HG PRO 47 8.794 -16.496 4.786
350 1HD PRO 47 2HD PRO 47 6.165 -15.329 5.127
351 2HD PRO 47 1HD PRO 47 7.758 -14.648 5.513
352 H GLY 48 H GLY 48 6.167 -14.107 0.311
353 1HA GLY 48 2HA GLY 48 4.473 -15.638 -0.900
354 2HA GLY 48 1HA GLY 48 3.630 -15.559 0.645
355 H VAL 49 H VAL 49 3.943 -12.968 1.354
356 HA VAL 49 HA VAL 49 2.086 -11.648 -0.399
357 HB VAL 49 HB VAL 49 1.748 -11.397 1.951
358 1HG1 VAL 49 1HG1 VAL 49 3.770 -11.777 2.985
359 2HG1 VAL 49 2HG1 VAL 49 3.524 -10.053 3.262
360 3HG1 VAL 49 3HG1 VAL 49 4.622 -10.594 1.992
361 1HG2 VAL 49 1HG2 VAL 49 1.455 -9.384 0.370
362 2HG2 VAL 49 2HG2 VAL 49 2.879 -8.730 1.179
363 3HG2 VAL 49 3HG2 VAL 49 1.425 -9.094 2.108
364 H ASN 50 H ASN 50 2.502 -10.095 -1.857
365 HA ASN 50 HA ASN 50 5.275 -9.442 -2.410
366 1HB ASN 50 2HB ASN 50 2.852 -8.492 -3.941
367 2HB ASN 50 1HB ASN 50 4.519 -8.615 -4.512
368 1HD2 ASN 50 1HD2 ASN 50 1.596 -10.339 -3.779
369 2HD2 ASN 50 2HD2 ASN 50 2.041 -11.829 -4.550
370 H LEU 51 H LEU 51 5.941 -7.232 -2.864
371 HA LEU 51 HA LEU 51 4.390 -5.062 -1.770
372 1HB LEU 51 2HB LEU 51 5.324 -5.875 0.273
373 2HB LEU 51 1HB LEU 51 6.910 -6.057 -0.449
374 HG LEU 51 HG LEU 51 6.823 -3.484 -0.751
375 1HD1 LEU 51 1HD1 LEU 51 4.856 -3.767 1.507
376 2HD1 LEU 51 2HD1 LEU 51 4.395 -3.377 -0.150
377 3HD1 LEU 51 3HD1 LEU 51 5.437 -2.279 0.757
378 1HD2 LEU 51 1HD2 LEU 51 8.081 -5.034 0.969
379 2HD2 LEU 51 2HD2 LEU 51 6.994 -4.250 2.116
380 3HD2 LEU 51 3HD2 LEU 51 8.092 -3.278 1.136
381 H ASN 52 H ASN 52 5.227 -3.000 -2.367
382 HA ASN 52 HA ASN 52 7.714 -2.851 -3.819
383 1HB ASN 52 2HB ASN 52 6.953 -2.550 -5.956
384 2HB ASN 52 1HB ASN 52 5.704 -3.642 -5.371
385 1HD2 ASN 52 1HD2 ASN 52 3.925 -2.263 -4.111
386 2HD2 ASN 52 2HD2 ASN 52 3.289 -0.958 -5.048
387 H CYS 53 H CYS 53 8.647 -0.986 -3.339
388 HA CYS 53 HA CYS 53 7.078 1.144 -2.150
389 1HB CYS 53 2HB CYS 53 10.055 1.207 -2.539
390 2HB CYS 53 1HB CYS 53 9.081 1.944 -1.273
391 H CYS 54 H CYS 54 7.299 3.346 -2.821
392 HA CYS 54 HA CYS 54 8.532 4.014 -5.325
393 1HB CYS 54 2HB CYS 54 6.261 4.843 -6.257
394 2HB CYS 54 1HB CYS 54 6.669 3.135 -6.424
395 H ARG 55 H ARG 55 8.360 6.193 -5.870
396 HA ARG 55 HA ARG 55 7.751 7.894 -3.567
397 1HB ARG 55 2HB ARG 55 9.716 9.021 -5.317
398 2HB ARG 55 1HB ARG 55 9.847 8.602 -3.619
399 1HG ARG 55 2HG ARG 55 10.525 6.366 -4.177
400 2HG ARG 55 1HG ARG 55 10.267 6.686 -5.895
401 1HD ARG 55 2HD ARG 55 12.195 8.267 -4.211
402 2HD ARG 55 1HD ARG 55 12.660 6.795 -5.068
403 HE ARG 55 HE ARG 55 11.432 8.424 -6.923
404 1HH1 ARG 55 1HH1 ARG 55 14.248 8.572 -4.868
405 2HH1 ARG 55 2HH1 ARG 55 15.141 9.587 -5.951
406 1HH2 ARG 55 1HH2 ARG 55 12.605 9.760 -8.351
407 2HH2 ARG 55 2HH2 ARG 55 14.208 10.262 -7.927
408 H THR 56 H THR 56 5.824 7.366 -5.557
409 HA THR 56 HA THR 56 5.679 9.991 -6.886
410 HB THR 56 HB THR 56 4.088 7.890 -8.150
411 HG1 THR 56 1HG THR 56 6.914 7.679 -8.247
412 1HG2 THR 56 1HG2 THR 56 6.258 9.288 -9.582
413 2HG2 THR 56 2HG2 THR 56 4.929 10.270 -8.966
414 3HG2 THR 56 3HG2 THR 56 4.601 8.942 -10.078
415 H ASP 57 H ASP 57 3.647 10.989 -6.980
416 HA ASP 57 HA ASP 57 2.002 10.659 -4.748
417 1HB ASP 57 2HB ASP 57 1.168 11.966 -7.339
418 2HB ASP 57 1HB ASP 57 0.610 12.338 -5.708
419 H ARG 58 H ARG 58 0.477 9.218 -4.307
420 HA ARG 58 HA ARG 58 -1.094 7.590 -4.528
421 1HB ARG 58 2HB ARG 58 -1.530 8.935 -7.202
422 2HB ARG 58 1HB ARG 58 -2.602 7.722 -6.501
423 1HG ARG 58 2HG ARG 58 -3.014 9.219 -4.595
424 2HG ARG 58 1HG ARG 58 -1.984 10.438 -5.350
425 1HD ARG 58 2HD ARG 58 -3.643 9.964 -7.390
426 2HD ARG 58 1HD ARG 58 -4.721 9.554 -6.057
427 HE ARG 58 HE ARG 58 -4.946 11.782 -5.680
428 1HH1 ARG 58 1HH1 ARG 58 -1.859 11.266 -7.226
429 2HH1 ARG 58 2HH1 ARG 58 -1.468 12.952 -7.287
430 1HH2 ARG 58 1HH2 ARG 58 -4.431 13.999 -5.760
431 2HH2 ARG 58 2HH2 ARG 58 -2.927 14.503 -6.454
432 H CYS 59 H CYS 59 1.676 7.147 -5.450
433 HA CYS 59 HA CYS 59 1.703 5.554 -7.772
434 1HB CYS 59 2HB CYS 59 3.910 4.918 -7.099
435 2HB CYS 59 1HB CYS 59 3.695 6.615 -6.682
436 H ASN 60 H ASN 60 0.833 4.902 -4.474
437 HA ASN 60 HA ASN 60 0.834 2.013 -4.936
438 1HB ASN 60 2HB ASN 60 0.260 1.903 -2.492
439 2HB ASN 60 1HB ASN 60 1.813 2.667 -2.844
440 1HD2 ASN 60 1HD2 ASN 60 1.316 3.379 -0.568
441 2HD2 ASN 60 2HD2 ASN 60 0.474 4.887 -0.394
442 H ASN 61 H ASN 61 -1.081 3.821 -6.258
443 HA ASN 61 HA ASN 61 -3.608 3.681 -5.035
444 1HB ASN 61 2HB ASN 61 -4.484 4.274 -7.220
445 2HB ASN 61 1HB ASN 61 -3.038 5.216 -6.889
446 1HD2 ASN 61 1HD2 ASN 61 -1.142 4.766 -8.018
447 2HD2 ASN 61 2HD2 ASN 61 -1.156 3.860 -9.500
Start of MODEL 17
1 1H LEU 1 1HT LEU 1 4.415 13.409 1.213
2 2H LEU 1 2HT LEU 1 3.714 14.775 0.445
3 3H LEU 1 3HT LEU 1 5.282 14.244 -0.007
4 HA LEU 1 HA LEU 1 3.632 13.631 -1.615
5 1HB LEU 1 2HB LEU 1 5.663 12.152 -0.544
6 2HB LEU 1 1HB LEU 1 4.319 11.034 -0.411
7 HG LEU 1 HG LEU 1 4.640 12.351 -3.038
8 1HD1 LEU 1 1HD1 LEU 1 6.481 11.070 -3.756
9 2HD1 LEU 1 2HD1 LEU 1 6.496 10.115 -2.274
10 3HD1 LEU 1 3HD1 LEU 1 6.980 11.810 -2.235
11 1HD2 LEU 1 1HD2 LEU 1 4.052 10.113 -3.822
12 2HD2 LEU 1 2HD2 LEU 1 2.900 10.694 -2.619
13 3HD2 LEU 1 3HD2 LEU 1 4.126 9.510 -2.166
14 H GLU 2 H GLU 2 1.519 13.376 -1.871
15 HA GLU 2 HA GLU 2 -0.084 12.313 0.320
16 1HB GLU 2 2HB GLU 2 -0.547 14.455 -1.158
17 2HB GLU 2 1HB GLU 2 -1.281 13.280 -2.240
18 1HG GLU 2 2HG GLU 2 -2.815 12.583 -0.524
19 2HG GLU 2 1HG GLU 2 -2.020 13.624 0.656
20 H CYS 3 H CYS 3 0.547 10.104 0.101
21 HA CYS 3 HA CYS 3 0.018 8.689 -2.340
22 1HB CYS 3 2HB CYS 3 0.451 7.373 0.324
23 2HB CYS 3 1HB CYS 3 0.926 6.820 -1.279
24 H HIS 4 H HIS 4 -1.093 6.321 -1.426
25 HA HIS 4 HA HIS 4 -3.849 7.177 -0.870
26 1HB HIS 4 2HB HIS 4 -2.705 4.808 -2.335
27 2HB HIS 4 1HB HIS 4 -4.378 4.820 -1.770
28 HD1 HIS 4 1HD HIS 4 -5.616 7.261 -2.601
29 HD2 HIS 4 2HD HIS 4 -2.575 5.609 -4.900
30 HE1 HIS 4 1HE HIS 4 -5.896 8.250 -4.894
31 HE2 HIS 4 2HE HIS 4 -4.114 7.151 -6.295
32 H ASN 5 H ASN 5 -5.164 5.331 0.203
33 HA ASN 5 HA ASN 5 -3.872 3.571 2.000
34 1HB ASN 5 2HB ASN 5 -4.418 4.704 4.120
35 2HB ASN 5 1HB ASN 5 -3.266 5.638 3.164
36 1HD2 ASN 5 1HD2 ASN 5 -4.115 7.274 4.744
37 2HD2 ASN 5 2HD2 ASN 5 -5.493 8.205 4.242
38 H GLN 6 H GLN 6 -5.705 2.815 0.388
39 HA GLN 6 HA GLN 6 -8.238 2.787 1.897
40 1HB GLN 6 2HB GLN 6 -9.428 2.537 -0.174
41 2HB GLN 6 1HB GLN 6 -8.346 3.913 -0.330
42 1HG GLN 6 2HG GLN 6 -6.736 2.071 -1.334
43 2HG GLN 6 1HG GLN 6 -8.271 1.273 -1.677
44 1HE2 GLN 6 1HE2 GLN 6 -6.348 4.145 -2.236
45 2HE2 GLN 6 2HE2 GLN 6 -7.168 4.644 -3.683
46 H GLN 7 H GLN 7 -8.965 0.875 2.596
47 HA GLN 7 HA GLN 7 -7.414 -1.494 2.106
48 1HB GLN 7 2HB GLN 7 -9.088 -2.534 3.651
49 2HB GLN 7 1HB GLN 7 -8.227 -1.166 4.331
50 1HG GLN 7 2HG GLN 7 -10.554 -0.148 3.115
51 2HG GLN 7 1HG GLN 7 -11.034 -1.573 4.034
52 1HE2 GLN 7 1HE2 GLN 7 -11.066 1.556 4.289
53 2HE2 GLN 7 2HE2 GLN 7 -10.679 1.786 5.966
54 H SER 8 H SER 8 -7.689 -2.561 0.251
55 HA SER 8 HA SER 8 -8.703 -3.832 -1.352
56 1HB SER 8 2HB SER 8 -10.585 -3.869 0.745
57 2HB SER 8 1HB SER 8 -11.501 -3.483 -0.717
58 HG SER 8 HG SER 8 -10.636 -5.343 -1.679
59 H SER 9 H SER 9 -11.149 -3.424 -2.686
60 HA SER 9 HA SER 9 -10.489 -1.380 -4.459
61 1HB SER 9 2HB SER 9 -11.943 -3.130 -5.200
62 2HB SER 9 1HB SER 9 -13.121 -2.771 -3.938
63 HG SER 9 HG SER 9 -13.567 -0.817 -4.971
64 H GLN 10 H GLN 10 -13.569 -1.258 -2.713
65 HA GLN 10 HA GLN 10 -14.819 0.532 -2.119
66 1HB GLN 10 2HB GLN 10 -12.428 1.295 -0.532
67 2HB GLN 10 1HB GLN 10 -14.120 1.324 -0.082
68 1HG GLN 10 2HG GLN 10 -13.913 -1.225 -0.412
69 2HG GLN 10 1HG GLN 10 -12.204 -0.920 -0.155
70 1HE2 GLN 10 1HE2 GLN 10 -12.032 0.864 1.744
71 2HE2 GLN 10 2HE2 GLN 10 -12.820 0.354 3.206
72 H ALA 11 H ALA 11 -14.206 3.051 -1.229
73 HA ALA 11 HA ALA 11 -13.655 4.385 -3.750
74 1HB ALA 11 1HB ALA 11 -14.274 6.407 -2.097
75 2HB ALA 11 2HB ALA 11 -15.065 5.076 -1.253
76 3HB ALA 11 3HB ALA 11 -15.483 5.428 -2.930
77 HA PRO 12 HA PRO 12 -9.328 5.141 -2.934
78 1HB PRO 12 2HB PRO 12 -10.181 7.641 -4.358
79 2HB PRO 12 1HB PRO 12 -8.703 6.688 -4.561
80 1HG PRO 12 2HG PRO 12 -10.681 6.377 -6.280
81 2HG PRO 12 1HG PRO 12 -9.816 4.956 -5.649
82 1HD PRO 12 2HD PRO 12 -12.545 5.957 -4.981
83 2HD PRO 12 1HD PRO 12 -11.928 4.291 -5.031
84 H THR 13 H THR 13 -8.001 6.688 -1.801
85 HA THR 13 HA THR 13 -9.222 8.904 -0.434
86 HB THR 13 HB THR 13 -8.245 7.704 1.797
87 HG1 THR 13 1HG THR 13 -8.765 5.573 1.789
88 1HG2 THR 13 1HG2 THR 13 -10.801 6.780 1.872
89 2HG2 THR 13 2HG2 THR 13 -10.914 8.075 0.679
90 3HG2 THR 13 3HG2 THR 13 -10.295 8.416 2.295
91 H THR 14 H THR 14 -7.681 10.336 -0.942
92 HA THR 14 HA THR 14 -4.867 9.577 -0.692
93 HB THR 14 HB THR 14 -4.500 11.854 -1.766
94 HG1 THR 14 1HG THR 14 -6.166 13.065 -2.067
95 1HG2 THR 14 1HG2 THR 14 -5.854 9.577 -3.097
96 2HG2 THR 14 2HG2 THR 14 -4.243 10.247 -3.352
97 3HG2 THR 14 3HG2 THR 14 -5.658 11.083 -3.993
98 H LYS 15 H LYS 15 -3.462 10.517 0.723
99 HA LYS 15 HA LYS 15 -4.182 12.814 2.289
100 1HB LYS 15 2HB LYS 15 -5.139 10.464 3.280
101 2HB LYS 15 1HB LYS 15 -3.568 10.543 4.066
102 1HG LYS 15 2HG LYS 15 -5.128 13.031 4.144
103 2HG LYS 15 1HG LYS 15 -5.820 11.672 5.033
104 1HD LYS 15 2HD LYS 15 -2.944 12.488 5.344
105 2HD LYS 15 1HD LYS 15 -4.234 13.213 6.306
106 1HE LYS 15 2HE LYS 15 -3.773 10.243 6.140
107 2HE LYS 15 1HE LYS 15 -3.020 11.265 7.363
108 1HZ LYS 15 1HZ LYS 15 -5.928 11.402 7.013
109 2HZ LYS 15 2HZ LYS 15 -5.001 11.634 8.409
110 3HZ LYS 15 3HZ LYS 15 -5.276 10.069 7.827
111 H THR 16 H THR 16 -2.438 13.513 3.705
112 HA THR 16 HA THR 16 0.159 12.647 2.661
113 HB THR 16 HB THR 16 -0.187 15.035 4.433
114 HG1 THR 16 1HG THR 16 -0.934 16.246 2.777
115 1HG2 THR 16 1HG2 THR 16 1.596 15.966 3.210
116 2HG2 THR 16 2HG2 THR 16 1.476 14.734 1.954
117 3HG2 THR 16 3HG2 THR 16 2.054 14.300 3.563
118 H CYS 17 H CYS 17 1.899 12.154 4.027
119 HA CYS 17 HA CYS 17 1.095 11.004 6.572
120 1HB CYS 17 2HB CYS 17 3.705 10.877 5.047
121 2HB CYS 17 1HB CYS 17 3.396 10.043 6.573
122 H SER 18 H SER 18 3.083 11.148 8.249
123 HA SER 18 HA SER 18 2.985 13.733 9.314
124 1HB SER 18 2HB SER 18 5.212 12.656 10.498
125 2HB SER 18 1HB SER 18 3.555 12.369 11.024
126 HG SER 18 HG SER 18 4.853 10.771 9.079
127 H GLY 19 H GLY 19 5.899 12.084 8.059
128 1HA GLY 19 2HA GLY 19 6.687 14.421 6.570
129 2HA GLY 19 1HA GLY 19 7.651 14.168 8.023
130 H GLU 20 H GLU 20 6.325 11.503 6.196
131 HA GLU 20 HA GLU 20 8.873 10.290 5.897
132 1HB GLU 20 2HB GLU 20 6.092 9.665 5.021
133 2HB GLU 20 1HB GLU 20 7.420 8.835 4.210
134 1HG GLU 20 2HG GLU 20 7.720 8.807 7.090
135 2HG GLU 20 1HG GLU 20 6.195 8.090 6.573
136 H THR 21 H THR 21 9.251 9.308 3.504
137 HA THR 21 HA THR 21 9.247 11.590 1.646
138 HB THR 21 HB THR 21 11.496 10.380 0.874
139 HG1 THR 21 1HG THR 21 12.254 9.076 2.306
140 1HG2 THR 21 1HG2 THR 21 12.072 11.944 3.260
141 2HG2 THR 21 2HG2 THR 21 10.957 12.733 2.146
142 3HG2 THR 21 3HG2 THR 21 12.543 12.210 1.581
143 H ASN 22 H ASN 22 9.407 8.081 2.000
144 HA ASN 22 HA ASN 22 8.346 7.839 -0.739
145 1HB ASN 22 2HB ASN 22 9.524 5.376 0.228
146 2HB ASN 22 1HB ASN 22 9.881 6.288 -1.240
147 1HD2 ASN 22 1HD2 ASN 22 10.807 5.592 2.001
148 2HD2 ASN 22 2HD2 ASN 22 12.304 6.471 1.990
149 H CYS 23 H CYS 23 6.905 6.051 -1.128
150 HA CYS 23 HA CYS 23 5.440 5.179 1.272
151 1HB CYS 23 2HB CYS 23 4.504 6.448 -1.233
152 2HB CYS 23 1HB CYS 23 3.540 5.088 -0.657
153 H TYR 24 H TYR 24 3.753 3.342 0.216
154 HA TYR 24 HA TYR 24 5.117 1.602 -1.619
155 1HB TYR 24 2HB TYR 24 5.421 -0.275 -0.085
156 2HB TYR 24 1HB TYR 24 6.364 1.121 0.436
157 HD1 TYR 24 1HD TYR 24 6.128 1.959 2.608
158 HD2 TYR 24 2HD TYR 24 3.170 -0.685 1.070
159 HE1 TYR 24 1HE TYR 24 5.094 1.831 4.835
160 HE2 TYR 24 2HE TYR 24 2.127 -0.817 3.292
161 HH TYR 24 HH TYR 24 3.582 0.023 6.061
162 H LYS 25 H LYS 25 3.995 -0.678 -1.463
163 HA LYS 25 HA LYS 25 1.215 -0.643 -0.747
164 1HB LYS 25 2HB LYS 25 1.507 0.580 -3.050
165 2HB LYS 25 1HB LYS 25 1.721 -1.054 -3.674
166 1HG LYS 25 2HG LYS 25 -0.479 -1.600 -2.506
167 2HG LYS 25 1HG LYS 25 -0.696 0.147 -2.376
168 1HD LYS 25 2HD LYS 25 -1.068 0.397 -4.598
169 2HD LYS 25 1HD LYS 25 0.067 -0.881 -5.039
170 1HE LYS 25 2HE LYS 25 -1.694 -2.477 -4.034
171 2HE LYS 25 1HE LYS 25 -2.798 -1.109 -4.185
172 1HZ LYS 25 1HZ LYS 25 -1.215 -1.772 -6.538
173 2HZ LYS 25 2HZ LYS 25 -2.823 -1.263 -6.423
174 3HZ LYS 25 3HZ LYS 25 -2.425 -2.877 -6.113
175 H LYS 26 H LYS 26 0.667 -2.662 -0.207
176 HA LYS 26 HA LYS 26 2.218 -4.865 -1.397
177 1HB LYS 26 2HB LYS 26 1.716 -6.037 0.854
178 2HB LYS 26 1HB LYS 26 3.016 -4.873 0.761
179 1HG LYS 26 2HG LYS 26 0.699 -3.440 1.469
180 2HG LYS 26 1HG LYS 26 0.746 -4.891 2.468
181 1HD LYS 26 2HD LYS 26 3.328 -4.114 2.615
182 2HD LYS 26 1HD LYS 26 2.533 -2.549 2.444
183 1HE LYS 26 2HE LYS 26 1.496 -4.547 4.410
184 2HE LYS 26 1HE LYS 26 2.908 -3.571 4.812
185 1HZ LYS 26 1HZ LYS 26 1.674 -1.723 5.026
186 2HZ LYS 26 2HZ LYS 26 0.396 -2.805 5.260
187 3HZ LYS 26 3HZ LYS 26 0.645 -2.109 3.739
188 H TRP 27 H TRP 27 1.174 -6.908 -1.490
189 HA TRP 27 HA TRP 27 -1.639 -7.105 -0.987
190 1HB TRP 27 2HB TRP 27 -2.247 -7.609 -3.366
191 2HB TRP 27 1HB TRP 27 -1.869 -5.936 -3.056
192 HD1 TRP 27 HD TRP 27 -0.863 -8.835 -5.077
193 HE1 TRP 27 1HE TRP 27 1.009 -8.174 -6.695
194 HE3 TRP 27 3HE TRP 27 0.247 -4.231 -3.187
195 HZ2 TRP 27 2HZ TRP 27 2.744 -5.986 -7.127
196 HZ3 TRP 27 3HZ TRP 27 2.020 -2.915 -4.259
197 HH2 TRP 27 HH TRP 27 3.243 -3.772 -6.188
198 H TRP 28 H TRP 28 -2.522 -9.209 -1.739
199 HA TRP 28 HA TRP 28 -0.630 -11.292 -2.369
200 1HB TRP 28 2HB TRP 28 -1.225 -12.604 -0.277
201 2HB TRP 28 1HB TRP 28 -0.162 -11.224 -0.035
202 HD1 TRP 28 HD TRP 28 -3.610 -12.495 0.796
203 HE1 TRP 28 1HE TRP 28 -4.652 -10.936 2.525
204 HE3 TRP 28 3HE TRP 28 -0.143 -8.738 0.745
205 HZ2 TRP 28 2HZ TRP 28 -4.115 -8.450 3.744
206 HZ3 TRP 28 3HZ TRP 28 -0.481 -6.805 2.229
207 HH2 TRP 28 HH TRP 28 -2.429 -6.665 3.696
208 H SER 29 H SER 29 -1.797 -13.503 -2.168
209 HA SER 29 HA SER 29 -4.639 -13.199 -2.863
210 1HB SER 29 2HB SER 29 -2.666 -14.973 -4.325
211 2HB SER 29 1HB SER 29 -4.390 -14.809 -4.683
212 HG SER 29 HG SER 29 -3.882 -12.510 -5.021
213 H ASP 30 H ASP 30 -5.539 -14.095 -1.087
214 HA ASP 30 HA ASP 30 -4.520 -16.681 -0.150
215 1HB ASP 30 2HB ASP 30 -5.164 -14.474 1.289
216 2HB ASP 30 1HB ASP 30 -6.687 -15.359 1.364
217 H HIS 31 H HIS 31 -6.866 -17.562 1.127
218 HA HIS 31 HA HIS 31 -8.166 -18.863 -1.039
219 1HB HIS 31 2HB HIS 31 -9.707 -19.709 0.810
220 2HB HIS 31 1HB HIS 31 -7.999 -20.108 0.963
221 HD1 HIS 31 1HD HIS 31 -7.033 -19.662 3.192
222 HD2 HIS 31 2HD HIS 31 -10.370 -17.298 2.457
223 HE1 HIS 31 1HE HIS 31 -7.427 -18.377 5.317
224 HE2 HIS 31 2HE HIS 31 -9.403 -16.893 4.821
225 H ARG 32 H ARG 32 -9.014 -16.174 1.066
226 HA ARG 32 HA ARG 32 -11.713 -15.941 0.227
227 1HB ARG 32 2HB ARG 32 -9.801 -14.335 1.809
228 2HB ARG 32 1HB ARG 32 -11.088 -13.419 1.025
229 1HG ARG 32 2HG ARG 32 -12.756 -14.486 2.233
230 2HG ARG 32 1HG ARG 32 -11.719 -15.854 2.644
231 1HD ARG 32 2HD ARG 32 -10.371 -13.746 3.752
232 2HD ARG 32 1HD ARG 32 -12.054 -13.273 3.981
233 HE ARG 32 HE ARG 32 -10.656 -15.411 5.297
234 1HH1 ARG 32 1HH1 ARG 32 -13.786 -14.205 4.333
235 2HH1 ARG 32 2HH1 ARG 32 -14.640 -15.085 5.555
236 1HH2 ARG 32 1HH2 ARG 32 -11.778 -16.571 6.905
237 2HH2 ARG 32 2HH2 ARG 32 -13.501 -16.428 7.015
238 H GLY 33 H GLY 33 -8.680 -14.794 -1.056
239 1HA GLY 33 2HA GLY 33 -9.227 -14.450 -3.624
240 2HA GLY 33 1HA GLY 33 -10.017 -13.023 -2.956
241 H THR 34 H THR 34 -8.834 -11.235 -2.814
242 HA THR 34 HA THR 34 -5.960 -11.420 -2.373
243 HB THR 34 HB THR 34 -6.409 -11.401 -4.872
244 HG1 THR 34 1HG THR 34 -4.747 -9.927 -5.232
245 1HG2 THR 34 1HG2 THR 34 -8.239 -9.542 -4.520
246 2HG2 THR 34 2HG2 THR 34 -7.256 -9.610 -5.982
247 3HG2 THR 34 3HG2 THR 34 -6.847 -8.474 -4.696
248 H ILE 35 H ILE 35 -5.025 -9.522 -1.536
249 HA ILE 35 HA ILE 35 -6.877 -7.338 -0.880
250 HB ILE 35 HB ILE 35 -4.982 -8.500 1.155
251 1HG1 ILE 35 2HG1 ILE 35 -7.977 -8.888 0.981
252 2HG1 ILE 35 1HG1 ILE 35 -6.785 -10.112 0.554
253 1HG2 ILE 35 1HG2 ILE 35 -5.357 -6.369 1.876
254 2HG2 ILE 35 2HG2 ILE 35 -6.743 -7.176 2.608
255 3HG2 ILE 35 3HG2 ILE 35 -6.942 -6.271 1.108
256 1HD1 ILE 35 1HD1 ILE 35 -7.857 -9.416 3.125
257 2HD1 ILE 35 2HD1 ILE 35 -6.099 -9.288 3.125
258 3HD1 ILE 35 3HD1 ILE 35 -6.873 -10.801 2.653
259 H ILE 36 H ILE 36 -5.851 -5.325 -0.387
260 HA ILE 36 HA ILE 36 -2.988 -5.149 -0.974
261 HB ILE 36 HB ILE 36 -3.287 -3.318 -2.543
262 1HG1 ILE 36 2HG1 ILE 36 -6.247 -3.812 -2.145
263 2HG1 ILE 36 1HG1 ILE 36 -5.357 -2.358 -1.709
264 1HG2 ILE 36 1HG2 ILE 36 -5.097 -5.108 -3.912
265 2HG2 ILE 36 2HG2 ILE 36 -3.840 -5.994 -3.049
266 3HG2 ILE 36 3HG2 ILE 36 -3.398 -4.762 -4.230
267 1HD1 ILE 36 1HD1 ILE 36 -5.762 -3.370 -4.513
268 2HD1 ILE 36 2HD1 ILE 36 -4.950 -1.875 -4.044
269 3HD1 ILE 36 3HD1 ILE 36 -6.677 -2.072 -3.745
270 H GLU 37 H GLU 37 -1.959 -3.764 0.402
271 HA GLU 37 HA GLU 37 -3.621 -1.750 1.764
272 1HB GLU 37 2HB GLU 37 -1.618 -2.235 3.564
273 2HB GLU 37 1HB GLU 37 -3.245 -2.910 3.645
274 1HG GLU 37 2HG GLU 37 -2.567 -4.955 2.804
275 2HG GLU 37 1HG GLU 37 -1.079 -4.302 2.130
276 H ARG 38 H ARG 38 -2.342 0.055 2.705
277 HA ARG 38 HA ARG 38 0.092 0.638 1.164
278 1HB ARG 38 2HB ARG 38 -2.249 2.510 1.563
279 2HB ARG 38 1HB ARG 38 -0.714 2.959 0.836
280 1HG ARG 38 2HG ARG 38 -1.306 2.149 -1.146
281 2HG ARG 38 1HG ARG 38 -1.883 0.637 -0.444
282 1HD ARG 38 2HD ARG 38 -4.019 1.537 -0.012
283 2HD ARG 38 1HD ARG 38 -3.463 3.188 -0.281
284 HE ARG 38 HE ARG 38 -3.866 2.901 -2.506
285 1HH1 ARG 38 1HH1 ARG 38 -3.569 -0.248 -1.030
286 2HH1 ARG 38 2HH1 ARG 38 -3.999 -1.104 -2.473
287 1HH2 ARG 38 1HH2 ARG 38 -4.433 1.777 -4.404
288 2HH2 ARG 38 2HH2 ARG 38 -4.491 0.047 -4.389
289 H GLY 39 H GLY 39 1.099 2.783 2.058
290 1HA GLY 39 2HA GLY 39 0.630 3.479 4.767
291 2HA GLY 39 1HA GLY 39 1.951 2.327 4.665
292 H CYS 40 H CYS 40 3.631 3.633 5.223
293 HA CYS 40 HA CYS 40 4.486 5.551 3.227
294 1HB CYS 40 2HB CYS 40 3.168 6.444 5.567
295 2HB CYS 40 1HB CYS 40 4.881 6.816 5.779
296 H GLY 41 H GLY 41 6.290 4.354 2.810
297 1HA GLY 41 2HA GLY 41 8.664 4.729 3.952
298 2HA GLY 41 1HA GLY 41 7.996 3.482 5.003
299 H CYS 42 H CYS 42 9.524 1.937 4.428
300 HA CYS 42 HA CYS 42 8.906 0.480 2.034
301 1HB CYS 42 2HB CYS 42 10.523 2.255 1.259
302 2HB CYS 42 1HB CYS 42 11.732 1.513 2.311
303 HA PRO 43 HA PRO 43 10.501 -2.045 5.574
304 1HB PRO 43 2HB PRO 43 8.322 -3.556 5.976
305 2HB PRO 43 1HB PRO 43 8.448 -1.917 6.641
306 1HG PRO 43 2HG PRO 43 6.989 -2.872 4.207
307 2HG PRO 43 1HG PRO 43 6.471 -1.704 5.441
308 1HD PRO 43 2HD PRO 43 7.511 -1.009 2.988
309 2HD PRO 43 1HD PRO 43 7.573 0.027 4.430
310 H LYS 44 H LYS 44 9.969 -4.657 5.715
311 HA LYS 44 HA LYS 44 11.047 -5.667 3.213
312 1HB LYS 44 2HB LYS 44 10.560 -7.098 5.833
313 2HB LYS 44 1HB LYS 44 11.453 -7.736 4.459
314 1HG LYS 44 2HG LYS 44 13.300 -6.514 4.914
315 2HG LYS 44 1HG LYS 44 12.378 -5.152 5.553
316 1HD LYS 44 2HD LYS 44 12.560 -5.895 7.654
317 2HD LYS 44 1HD LYS 44 12.104 -7.536 7.193
318 1HE LYS 44 2HE LYS 44 14.353 -7.462 8.153
319 2HE LYS 44 1HE LYS 44 14.384 -7.983 6.468
320 1HZ LYS 44 1HZ LYS 44 15.030 -5.264 7.471
321 2HZ LYS 44 2HZ LYS 44 14.997 -5.713 5.841
322 3HZ LYS 44 3HZ LYS 44 16.135 -6.403 6.885
323 H VAL 45 H VAL 45 10.217 -8.161 2.936
324 HA VAL 45 HA VAL 45 7.320 -7.892 2.489
325 HB VAL 45 HB VAL 45 7.575 -9.609 0.742
326 1HG1 VAL 45 1HG1 VAL 45 9.627 -7.712 -0.130
327 2HG1 VAL 45 2HG1 VAL 45 8.199 -6.958 0.580
328 3HG1 VAL 45 3HG1 VAL 45 8.029 -8.045 -0.798
329 1HG2 VAL 45 1HG2 VAL 45 10.517 -9.390 1.376
330 2HG2 VAL 45 2HG2 VAL 45 9.840 -10.229 -0.020
331 3HG2 VAL 45 3HG2 VAL 45 9.492 -10.805 1.610
332 H LYS 46 H LYS 46 5.947 -9.651 2.915
333 HA LYS 46 HA LYS 46 6.879 -11.355 5.035
334 1HB LYS 46 2HB LYS 46 4.219 -10.445 4.078
335 2HB LYS 46 1HB LYS 46 4.299 -11.980 4.930
336 1HG LYS 46 2HG LYS 46 5.503 -9.485 6.074
337 2HG LYS 46 1HG LYS 46 3.798 -9.882 6.290
338 1HD LYS 46 2HD LYS 46 6.134 -11.612 7.101
339 2HD LYS 46 1HD LYS 46 5.137 -10.645 8.189
340 1HE LYS 46 2HE LYS 46 3.247 -12.098 6.885
341 2HE LYS 46 1HE LYS 46 4.591 -13.239 6.922
342 1HZ LYS 46 1HZ LYS 46 4.678 -13.119 9.270
343 2HZ LYS 46 2HZ LYS 46 3.051 -13.345 8.865
344 3HZ LYS 46 3HZ LYS 46 3.603 -11.814 9.327
345 HA PRO 47 HA PRO 47 7.693 -15.007 2.688
346 1HB PRO 47 2HB PRO 47 5.963 -16.422 4.607
347 2HB PRO 47 1HB PRO 47 7.651 -16.690 4.206
348 1HG PRO 47 2HG PRO 47 6.656 -15.416 6.468
349 2HG PRO 47 1HG PRO 47 8.336 -15.471 5.937
350 1HD PRO 47 2HD PRO 47 6.630 -13.217 6.038
351 2HD PRO 47 1HD PRO 47 8.269 -13.313 5.366
352 H GLY 48 H GLY 48 6.462 -14.514 0.819
353 1HA GLY 48 2HA GLY 48 4.912 -15.684 -0.621
354 2HA GLY 48 1HA GLY 48 3.841 -15.868 0.765
355 H VAL 49 H VAL 49 4.308 -13.047 1.570
356 HA VAL 49 HA VAL 49 2.201 -11.892 -0.018
357 HB VAL 49 HB VAL 49 3.812 -10.572 2.168
358 1HG1 VAL 49 1HG1 VAL 49 1.325 -9.522 2.299
359 2HG1 VAL 49 2HG1 VAL 49 1.467 -9.815 0.566
360 3HG1 VAL 49 3HG1 VAL 49 2.655 -8.806 1.390
361 1HG2 VAL 49 1HG2 VAL 49 1.210 -12.075 2.433
362 2HG2 VAL 49 2HG2 VAL 49 2.114 -11.285 3.725
363 3HG2 VAL 49 3HG2 VAL 49 2.787 -12.700 2.916
364 H ASN 50 H ASN 50 2.320 -9.949 -1.208
365 HA ASN 50 HA ASN 50 4.996 -9.407 -2.291
366 1HB ASN 50 2HB ASN 50 2.488 -8.383 -3.570
367 2HB ASN 50 1HB ASN 50 4.026 -8.819 -4.316
368 1HD2 ASN 50 1HD2 ASN 50 0.885 -9.790 -3.670
369 2HD2 ASN 50 2HD2 ASN 50 1.033 -11.460 -4.125
370 H LEU 51 H LEU 51 5.688 -7.260 -2.627
371 HA LEU 51 HA LEU 51 4.167 -5.043 -1.619
372 1HB LEU 51 2HB LEU 51 4.887 -5.763 0.503
373 2HB LEU 51 1HB LEU 51 6.481 -6.192 -0.085
374 HG LEU 51 HG LEU 51 6.801 -3.664 -0.482
375 1HD1 LEU 51 1HD1 LEU 51 4.208 -3.452 0.082
376 2HD1 LEU 51 2HD1 LEU 51 5.365 -2.164 0.416
377 3HD1 LEU 51 3HD1 LEU 51 4.860 -3.251 1.708
378 1HD2 LEU 51 1HD2 LEU 51 7.623 -5.272 1.438
379 2HD2 LEU 51 2HD2 LEU 51 6.560 -4.262 2.417
380 3HD2 LEU 51 3HD2 LEU 51 7.889 -3.531 1.518
381 H ASN 52 H ASN 52 5.102 -3.018 -2.181
382 HA ASN 52 HA ASN 52 7.694 -2.954 -3.445
383 1HB ASN 52 2HB ASN 52 7.082 -2.546 -5.646
384 2HB ASN 52 1HB ASN 52 5.924 -3.781 -5.166
385 1HD2 ASN 52 1HD2 ASN 52 4.030 -2.451 -3.831
386 2HD2 ASN 52 2HD2 ASN 52 3.278 -1.267 -4.838
387 H CYS 53 H CYS 53 8.633 -1.087 -2.979
388 HA CYS 53 HA CYS 53 7.067 1.092 -1.897
389 1HB CYS 53 2HB CYS 53 10.051 1.088 -2.291
390 2HB CYS 53 1HB CYS 53 9.098 1.940 -1.081
391 H CYS 54 H CYS 54 7.372 3.303 -2.623
392 HA CYS 54 HA CYS 54 8.566 3.829 -5.181
393 1HB CYS 54 2HB CYS 54 6.280 4.722 -6.064
394 2HB CYS 54 1HB CYS 54 6.666 3.009 -6.230
395 H ARG 55 H ARG 55 8.552 5.969 -5.781
396 HA ARG 55 HA ARG 55 8.019 7.801 -3.560
397 1HB ARG 55 2HB ARG 55 10.038 8.739 -5.367
398 2HB ARG 55 1HB ARG 55 10.149 8.406 -3.647
399 1HG ARG 55 2HG ARG 55 10.457 5.974 -4.300
400 2HG ARG 55 1HG ARG 55 10.715 6.571 -5.942
401 1HD ARG 55 2HD ARG 55 12.265 7.557 -3.557
402 2HD ARG 55 1HD ARG 55 12.794 6.206 -4.562
403 HE ARG 55 HE ARG 55 12.229 8.406 -6.201
404 1HH1 ARG 55 1HH1 ARG 55 14.565 7.366 -3.828
405 2HH1 ARG 55 2HH1 ARG 55 15.851 8.319 -4.491
406 1HH2 ARG 55 1HH2 ARG 55 13.919 9.663 -7.076
407 2HH2 ARG 55 2HH2 ARG 55 15.485 9.622 -6.335
408 H THR 56 H THR 56 6.064 7.282 -5.521
409 HA THR 56 HA THR 56 6.025 9.865 -6.937
410 HB THR 56 HB THR 56 4.494 7.605 -8.101
411 HG1 THR 56 1HG THR 56 6.383 6.869 -9.179
412 1HG2 THR 56 1HG2 THR 56 4.300 9.248 -9.601
413 2HG2 THR 56 2HG2 THR 56 5.907 8.732 -10.115
414 3HG2 THR 56 3HG2 THR 56 5.729 10.096 -9.012
415 H ASP 57 H ASP 57 3.969 10.846 -7.196
416 HA ASP 57 HA ASP 57 2.276 10.622 -4.959
417 1HB ASP 57 2HB ASP 57 2.574 12.682 -6.351
418 2HB ASP 57 1HB ASP 57 1.617 11.908 -7.617
419 H ARG 58 H ARG 58 0.632 9.304 -4.536
420 HA ARG 58 HA ARG 58 -0.957 7.692 -4.760
421 1HB ARG 58 2HB ARG 58 -1.215 9.006 -7.470
422 2HB ARG 58 1HB ARG 58 -2.312 7.755 -6.886
423 1HG ARG 58 2HG ARG 58 -2.842 9.229 -4.948
424 2HG ARG 58 1HG ARG 58 -1.876 10.492 -5.711
425 1HD ARG 58 2HD ARG 58 -3.484 9.800 -7.764
426 2HD ARG 58 1HD ARG 58 -4.552 9.466 -6.402
427 HE ARG 58 HE ARG 58 -3.273 12.037 -6.269
428 1HH1 ARG 58 1HH1 ARG 58 -6.009 10.262 -7.514
429 2HH1 ARG 58 2HH1 ARG 58 -7.014 11.664 -7.651
430 1HH2 ARG 58 1HH2 ARG 58 -4.594 13.882 -6.448
431 2HH2 ARG 58 2HH2 ARG 58 -6.213 13.720 -7.045
432 H CYS 59 H CYS 59 1.853 7.163 -5.560
433 HA CYS 59 HA CYS 59 1.979 5.482 -7.794
434 1HB CYS 59 2HB CYS 59 4.097 4.771 -6.938
435 2HB CYS 59 1HB CYS 59 3.922 6.482 -6.557
436 H ASN 60 H ASN 60 0.849 4.942 -4.551
437 HA ASN 60 HA ASN 60 0.721 2.049 -4.969
438 1HB ASN 60 2HB ASN 60 0.023 1.981 -2.581
439 2HB ASN 60 1HB ASN 60 1.593 2.750 -2.822
440 1HD2 ASN 60 1HD2 ASN 60 0.712 3.360 -0.538
441 2HD2 ASN 60 2HD2 ASN 60 -0.062 4.912 -0.460
442 H ASN 61 H ASN 61 -0.986 3.900 -6.469
443 HA ASN 61 HA ASN 61 -3.615 3.827 -5.383
444 1HB ASN 61 2HB ASN 61 -4.264 4.454 -7.743
445 2HB ASN 61 1HB ASN 61 -3.128 5.544 -6.960
446 1HD2 ASN 61 1HD2 ASN 61 -2.977 6.023 -9.383
447 2HD2 ASN 61 2HD2 ASN 61 -1.715 5.188 -10.234
Start of MODEL 18
1 1H LEU 1 1HT LEU 1 4.892 14.605 -0.350
2 2H LEU 1 2HT LEU 1 4.104 15.725 -1.384
3 3H LEU 1 3HT LEU 1 5.602 15.029 -1.850
4 HA LEU 1 HA LEU 1 3.724 14.067 -2.996
5 1HB LEU 1 2HB LEU 1 5.930 12.908 -2.170
6 2HB LEU 1 1HB LEU 1 4.842 12.015 -1.126
7 HG LEU 1 HG LEU 1 4.222 12.117 -4.039
8 1HD1 LEU 1 1HD1 LEU 1 5.683 9.884 -3.979
9 2HD1 LEU 1 2HD1 LEU 1 6.608 10.854 -2.834
10 3HD1 LEU 1 3HD1 LEU 1 6.338 11.445 -4.474
11 1HD2 LEU 1 1HD2 LEU 1 2.638 10.779 -3.207
12 2HD2 LEU 1 2HD2 LEU 1 3.503 10.552 -1.687
13 3HD2 LEU 1 3HD2 LEU 1 3.905 9.558 -3.087
14 H GLU 2 H GLU 2 1.915 12.604 -2.879
15 HA GLU 2 HA GLU 2 0.611 12.472 -0.250
16 1HB GLU 2 2HB GLU 2 -0.219 14.053 -2.483
17 2HB GLU 2 1HB GLU 2 -1.405 12.780 -2.232
18 1HG GLU 2 2HG GLU 2 -1.958 13.531 -0.116
19 2HG GLU 2 1HG GLU 2 -0.448 14.420 0.072
20 H CYS 3 H CYS 3 1.009 10.287 -0.021
21 HA CYS 3 HA CYS 3 0.389 8.419 -2.109
22 1HB CYS 3 2HB CYS 3 0.916 7.777 0.789
23 2HB CYS 3 1HB CYS 3 1.177 6.753 -0.619
24 H HIS 4 H HIS 4 -0.769 6.325 -0.782
25 HA HIS 4 HA HIS 4 -3.399 7.366 0.039
26 1HB HIS 4 2HB HIS 4 -2.782 5.062 -1.818
27 2HB HIS 4 1HB HIS 4 -4.377 5.345 -1.113
28 HD1 HIS 4 1HD HIS 4 -5.114 8.070 -1.589
29 HD2 HIS 4 2HD HIS 4 -2.668 6.090 -4.303
30 HE1 HIS 4 1HE HIS 4 -5.339 9.344 -3.743
31 HE2 HIS 4 2HE HIS 4 -3.969 8.038 -5.407
32 H ASN 5 H ASN 5 -4.532 6.169 1.588
33 HA ASN 5 HA ASN 5 -2.996 4.025 2.901
34 1HB ASN 5 2HB ASN 5 -3.878 4.882 5.080
35 2HB ASN 5 1HB ASN 5 -2.767 5.992 4.273
36 1HD2 ASN 5 1HD2 ASN 5 -3.420 7.996 3.857
37 2HD2 ASN 5 2HD2 ASN 5 -5.038 8.587 4.083
38 H GLN 6 H GLN 6 -5.254 3.967 0.964
39 HA GLN 6 HA GLN 6 -7.601 3.204 2.401
40 1HB GLN 6 2HB GLN 6 -8.455 2.481 0.231
41 2HB GLN 6 1HB GLN 6 -7.710 4.068 0.106
42 1HG GLN 6 2HG GLN 6 -5.599 2.637 -0.567
43 2HG GLN 6 1HG GLN 6 -6.838 1.465 -1.015
44 1HE2 GLN 6 1HE2 GLN 6 -8.166 1.873 -2.744
45 2HE2 GLN 6 2HE2 GLN 6 -7.895 3.177 -3.857
46 H GLN 7 H GLN 7 -8.593 0.990 2.054
47 HA GLN 7 HA GLN 7 -6.538 -1.047 2.562
48 1HB GLN 7 2HB GLN 7 -8.759 -2.251 3.440
49 2HB GLN 7 1HB GLN 7 -7.784 -1.203 4.457
50 1HG GLN 7 2HG GLN 7 -9.296 0.569 4.275
51 2HG GLN 7 1HG GLN 7 -10.097 -0.142 2.874
52 1HE2 GLN 7 1HE2 GLN 7 -12.069 0.199 4.038
53 2HE2 GLN 7 2HE2 GLN 7 -12.568 -0.937 5.252
54 H SER 8 H SER 8 -6.193 -2.468 1.004
55 HA SER 8 HA SER 8 -6.483 -3.850 -0.776
56 1HB SER 8 2HB SER 8 -9.191 -3.781 0.460
57 2HB SER 8 1HB SER 8 -9.066 -4.436 -1.178
58 HG SER 8 HG SER 8 -8.437 -6.190 -0.217
59 H SER 9 H SER 9 -9.568 -2.133 -1.110
60 HA SER 9 HA SER 9 -8.525 -0.538 -3.302
61 1HB SER 9 2HB SER 9 -9.523 -2.957 -3.990
62 2HB SER 9 1HB SER 9 -11.002 -1.996 -4.016
63 HG SER 9 HG SER 9 -9.310 -2.151 -5.929
64 H GLN 10 H GLN 10 -11.428 -1.555 -1.525
65 HA GLN 10 HA GLN 10 -12.992 0.701 -2.093
66 1HB GLN 10 2HB GLN 10 -13.043 -1.471 -0.079
67 2HB GLN 10 1HB GLN 10 -13.964 -0.018 0.307
68 1HG GLN 10 2HG GLN 10 -14.374 -0.996 -2.411
69 2HG GLN 10 1HG GLN 10 -14.864 -2.135 -1.155
70 1HE2 GLN 10 1HE2 GLN 10 -15.073 1.349 -1.826
71 2HE2 GLN 10 2HE2 GLN 10 -16.737 1.511 -1.355
72 H ALA 11 H ALA 11 -13.833 1.949 0.072
73 HA ALA 11 HA ALA 11 -13.381 3.815 1.307
74 1HB ALA 11 1HB ALA 11 -11.306 3.266 2.922
75 2HB ALA 11 2HB ALA 11 -11.699 1.637 2.373
76 3HB ALA 11 3HB ALA 11 -12.928 2.620 3.171
77 HA PRO 12 HA PRO 12 -9.979 5.013 -1.779
78 1HB PRO 12 2HB PRO 12 -11.968 7.252 -1.816
79 2HB PRO 12 1HB PRO 12 -10.997 6.587 -3.140
80 1HG PRO 12 2HG PRO 12 -13.524 5.896 -2.975
81 2HG PRO 12 1HG PRO 12 -12.293 4.643 -3.276
82 1HD PRO 12 2HD PRO 12 -13.725 5.309 -0.724
83 2HD PRO 12 1HD PRO 12 -13.337 3.715 -1.414
84 H THR 13 H THR 13 -8.508 6.783 -1.595
85 HA THR 13 HA THR 13 -8.794 8.572 0.682
86 HB THR 13 HB THR 13 -6.460 7.983 1.456
87 HG1 THR 13 1HG THR 13 -5.540 6.767 -0.036
88 1HG2 THR 13 1HG2 THR 13 -8.205 7.202 2.836
89 2HG2 THR 13 2HG2 THR 13 -7.113 5.840 2.582
90 3HG2 THR 13 3HG2 THR 13 -8.634 5.929 1.694
91 H THR 14 H THR 14 -7.334 10.365 0.625
92 HA THR 14 HA THR 14 -5.742 10.676 -1.807
93 HB THR 14 HB THR 14 -7.810 12.704 -0.962
94 HG1 THR 14 1HG THR 14 -9.040 11.964 -2.605
95 1HG2 THR 14 1HG2 THR 14 -7.391 13.657 -3.212
96 2HG2 THR 14 2HG2 THR 14 -6.009 12.571 -3.363
97 3HG2 THR 14 3HG2 THR 14 -6.029 13.804 -2.101
98 H LYS 15 H LYS 15 -5.958 11.003 1.483
99 HA LYS 15 HA LYS 15 -4.418 13.426 1.758
100 1HB LYS 15 2HB LYS 15 -6.112 12.053 3.424
101 2HB LYS 15 1HB LYS 15 -4.536 11.624 4.073
102 1HG LYS 15 2HG LYS 15 -5.050 13.508 5.281
103 2HG LYS 15 1HG LYS 15 -4.087 14.181 3.964
104 1HD LYS 15 2HD LYS 15 -5.827 15.323 3.119
105 2HD LYS 15 1HD LYS 15 -6.952 13.988 3.380
106 1HE LYS 15 2HE LYS 15 -7.785 15.541 4.847
107 2HE LYS 15 1HE LYS 15 -6.678 14.660 5.898
108 1HZ LYS 15 1HZ LYS 15 -6.100 16.813 6.339
109 2HZ LYS 15 2HZ LYS 15 -6.415 17.356 4.768
110 3HZ LYS 15 3HZ LYS 15 -5.011 16.469 5.091
111 H THR 16 H THR 16 -2.538 12.991 3.585
112 HA THR 16 HA THR 16 -0.800 10.872 2.528
113 HB THR 16 HB THR 16 -0.189 13.024 1.477
114 HG1 THR 16 1HG THR 16 1.436 11.468 1.966
115 1HG2 THR 16 1HG2 THR 16 0.787 14.013 4.117
116 2HG2 THR 16 2HG2 THR 16 -0.848 14.382 3.567
117 3HG2 THR 16 3HG2 THR 16 0.541 14.894 2.609
118 H CYS 17 H CYS 17 1.383 11.090 4.020
119 HA CYS 17 HA CYS 17 0.407 10.477 6.691
120 1HB CYS 17 2HB CYS 17 3.264 10.269 5.747
121 2HB CYS 17 1HB CYS 17 2.484 9.399 7.071
122 H SER 18 H SER 18 2.590 11.039 8.258
123 HA SER 18 HA SER 18 2.186 13.730 8.928
124 1HB SER 18 2HB SER 18 4.518 13.234 10.171
125 2HB SER 18 1HB SER 18 2.976 12.611 10.756
126 HG SER 18 HG SER 18 5.117 11.278 9.674
127 H GLY 19 H GLY 19 4.489 12.189 6.806
128 1HA GLY 19 2HA GLY 19 5.146 14.038 5.085
129 2HA GLY 19 1HA GLY 19 5.969 14.705 6.494
130 H GLU 20 H GLU 20 5.693 11.640 4.691
131 HA GLU 20 HA GLU 20 8.482 11.053 5.367
132 1HB GLU 20 2HB GLU 20 6.107 9.442 4.727
133 2HB GLU 20 1HB GLU 20 7.590 8.879 3.957
134 1HG GLU 20 2HG GLU 20 7.113 9.271 6.903
135 2HG GLU 20 1HG GLU 20 7.294 7.741 6.046
136 H THR 21 H THR 21 9.361 9.545 3.341
137 HA THR 21 HA THR 21 9.389 11.425 1.084
138 HB THR 21 HB THR 21 11.525 9.718 0.700
139 HG1 THR 21 1HG THR 21 11.359 8.821 2.734
140 1HG2 THR 21 1HG2 THR 21 12.805 11.656 1.946
141 2HG2 THR 21 2HG2 THR 21 11.241 12.456 1.793
142 3HG2 THR 21 3HG2 THR 21 12.085 11.888 0.353
143 H ASN 22 H ASN 22 10.100 7.965 1.440
144 HA ASN 22 HA ASN 22 8.702 7.485 -1.087
145 1HB ASN 22 2HB ASN 22 10.039 5.181 0.144
146 2HB ASN 22 1HB ASN 22 10.167 5.821 -1.496
147 1HD2 ASN 22 1HD2 ASN 22 11.693 5.431 1.457
148 2HD2 ASN 22 2HD2 ASN 22 13.044 6.487 1.191
149 H CYS 23 H CYS 23 7.113 5.909 -1.320
150 HA CYS 23 HA CYS 23 5.856 4.993 1.180
151 1HB CYS 23 2HB CYS 23 4.727 6.237 -1.281
152 2HB CYS 23 1HB CYS 23 3.775 4.990 -0.481
153 H TYR 24 H TYR 24 4.091 3.178 0.323
154 HA TYR 24 HA TYR 24 5.173 1.486 -1.723
155 1HB TYR 24 2HB TYR 24 5.731 -0.427 -0.344
156 2HB TYR 24 1HB TYR 24 6.702 0.963 0.138
157 HD1 TYR 24 1HD TYR 24 6.829 1.523 2.388
158 HD2 TYR 24 2HD TYR 24 3.561 -0.842 1.047
159 HE1 TYR 24 1HE TYR 24 6.106 1.219 4.716
160 HE2 TYR 24 2HE TYR 24 2.826 -1.153 3.372
161 HH TYR 24 HH TYR 24 3.640 -1.035 5.596
162 H LYS 25 H LYS 25 4.089 -0.792 -1.490
163 HA LYS 25 HA LYS 25 1.434 -0.761 -0.381
164 1HB LYS 25 2HB LYS 25 1.253 0.500 -2.580
165 2HB LYS 25 1HB LYS 25 1.672 -1.012 -3.382
166 1HG LYS 25 2HG LYS 25 -0.302 -2.075 -2.533
167 2HG LYS 25 1HG LYS 25 -0.689 -0.663 -1.547
168 1HD LYS 25 2HD LYS 25 -1.597 0.441 -3.279
169 2HD LYS 25 1HD LYS 25 -0.326 -0.071 -4.393
170 1HE LYS 25 2HE LYS 25 -1.455 -2.355 -4.366
171 2HE LYS 25 1HE LYS 25 -2.817 -1.549 -3.588
172 1HZ LYS 25 1HZ LYS 25 -2.859 -1.784 -6.108
173 2HZ LYS 25 2HZ LYS 25 -1.697 -0.555 -6.135
174 3HZ LYS 25 3HZ LYS 25 -3.223 -0.262 -5.465
175 H LYS 26 H LYS 26 1.033 -2.751 0.298
176 HA LYS 26 HA LYS 26 2.414 -4.984 -1.039
177 1HB LYS 26 2HB LYS 26 1.842 -5.964 1.441
178 2HB LYS 26 1HB LYS 26 3.374 -5.277 0.960
179 1HG LYS 26 2HG LYS 26 2.988 -3.281 2.063
180 2HG LYS 26 1HG LYS 26 1.241 -3.523 2.081
181 1HD LYS 26 2HD LYS 26 1.523 -5.364 3.681
182 2HD LYS 26 1HD LYS 26 3.266 -5.096 3.673
183 1HE LYS 26 2HE LYS 26 1.848 -2.642 4.208
184 2HE LYS 26 1HE LYS 26 1.374 -3.902 5.345
185 1HZ LYS 26 1HZ LYS 26 3.838 -4.289 5.652
186 2HZ LYS 26 2HZ LYS 26 3.217 -2.855 6.300
187 3HZ LYS 26 3HZ LYS 26 4.082 -2.821 4.847
188 H TRP 27 H TRP 27 1.291 -6.848 -1.445
189 HA TRP 27 HA TRP 27 -1.429 -7.101 -0.474
190 1HB TRP 27 2HB TRP 27 -2.303 -7.561 -2.791
191 2HB TRP 27 1HB TRP 27 -1.933 -5.886 -2.461
192 HD1 TRP 27 HD TRP 27 -1.147 -8.675 -4.710
193 HE1 TRP 27 1HE TRP 27 0.513 -7.926 -6.512
194 HE3 TRP 27 3HE TRP 27 0.190 -4.163 -2.748
195 HZ2 TRP 27 2HZ TRP 27 2.182 -5.715 -7.046
196 HZ3 TRP 27 3HZ TRP 27 1.819 -2.790 -3.969
197 HH2 TRP 27 HH TRP 27 2.796 -3.547 -6.071
198 H TRP 28 H TRP 28 -2.424 -9.171 -1.151
199 HA TRP 28 HA TRP 28 -0.634 -11.263 -2.035
200 1HB TRP 28 2HB TRP 28 -1.034 -12.626 0.049
201 2HB TRP 28 1HB TRP 28 0.006 -11.226 0.280
202 HD1 TRP 28 HD TRP 28 -3.366 -12.611 1.249
203 HE1 TRP 28 1HE TRP 28 -4.344 -11.145 3.092
204 HE3 TRP 28 3HE TRP 28 0.033 -8.796 1.176
205 HZ2 TRP 28 2HZ TRP 28 -3.783 -8.697 4.382
206 HZ3 TRP 28 3HZ TRP 28 -0.261 -6.926 2.749
207 HH2 TRP 28 HH TRP 28 -2.132 -6.880 4.319
208 H SER 29 H SER 29 -1.839 -13.464 -1.723
209 HA SER 29 HA SER 29 -4.635 -13.035 -2.543
210 1HB SER 29 2HB SER 29 -2.547 -15.007 -3.409
211 2HB SER 29 1HB SER 29 -4.257 -15.445 -3.523
212 HG SER 29 HG SER 29 -4.589 -13.757 -4.914
213 H ASP 30 H ASP 30 -6.031 -13.518 -0.986
214 HA ASP 30 HA ASP 30 -5.307 -15.477 1.051
215 1HB ASP 30 2HB ASP 30 -6.507 -13.063 1.286
216 2HB ASP 30 1HB ASP 30 -7.928 -14.107 1.201
217 H HIS 31 H HIS 31 -7.985 -16.215 1.749
218 HA HIS 31 HA HIS 31 -8.344 -18.572 0.461
219 1HB HIS 31 2HB HIS 31 -10.930 -18.072 0.980
220 2HB HIS 31 1HB HIS 31 -9.768 -18.490 2.231
221 HD1 HIS 31 1HD HIS 31 -11.141 -17.223 4.013
222 HD2 HIS 31 2HD HIS 31 -9.789 -14.823 0.901
223 HE1 HIS 31 1HE HIS 31 -11.494 -14.857 4.786
224 HE2 HIS 31 2HE HIS 31 -10.745 -13.424 2.855
225 H ARG 32 H ARG 32 -10.896 -16.219 -0.216
226 HA ARG 32 HA ARG 32 -10.602 -16.846 -3.071
227 1HB ARG 32 2HB ARG 32 -12.982 -16.709 -1.285
228 2HB ARG 32 1HB ARG 32 -13.172 -16.180 -2.954
229 1HG ARG 32 2HG ARG 32 -12.800 -18.284 -3.806
230 2HG ARG 32 1HG ARG 32 -11.889 -18.808 -2.387
231 1HD ARG 32 2HD ARG 32 -14.149 -19.846 -2.600
232 2HD ARG 32 1HD ARG 32 -13.882 -18.985 -1.085
233 HE ARG 32 HE ARG 32 -15.049 -17.124 -2.673
234 1HH1 ARG 32 1HH1 ARG 32 -15.906 -20.379 -1.751
235 2HH1 ARG 32 2HH1 ARG 32 -17.610 -20.094 -1.858
236 1HH2 ARG 32 1HH2 ARG 32 -17.290 -16.747 -2.813
237 2HH2 ARG 32 2HH2 ARG 32 -18.397 -18.031 -2.460
238 H GLY 33 H GLY 33 -9.234 -14.687 -1.871
239 1HA GLY 33 2HA GLY 33 -10.185 -12.544 -3.524
240 2HA GLY 33 1HA GLY 33 -10.445 -12.224 -1.811
241 H THR 34 H THR 34 -8.969 -10.395 -2.720
242 HA THR 34 HA THR 34 -6.217 -11.113 -1.988
243 HB THR 34 HB THR 34 -6.998 -9.320 -4.296
244 HG1 THR 34 1HG THR 34 -5.722 -11.851 -4.281
245 1HG2 THR 34 1HG2 THR 34 -4.223 -10.253 -3.976
246 2HG2 THR 34 2HG2 THR 34 -4.762 -8.984 -2.877
247 3HG2 THR 34 3HG2 THR 34 -4.850 -8.736 -4.620
248 H ILE 35 H ILE 35 -5.088 -9.564 -0.838
249 HA ILE 35 HA ILE 35 -6.629 -7.165 -0.071
250 HB ILE 35 HB ILE 35 -4.662 -8.604 1.703
251 1HG1 ILE 35 2HG1 ILE 35 -7.686 -8.750 1.696
252 2HG1 ILE 35 1HG1 ILE 35 -6.589 -10.057 1.259
253 1HG2 ILE 35 1HG2 ILE 35 -4.854 -6.338 2.345
254 2HG2 ILE 35 2HG2 ILE 35 -5.869 -7.251 3.462
255 3HG2 ILE 35 3HG2 ILE 35 -6.605 -6.351 2.136
256 1HD1 ILE 35 1HD1 ILE 35 -7.193 -10.586 3.420
257 2HD1 ILE 35 2HD1 ILE 35 -7.176 -8.904 3.947
258 3HD1 ILE 35 3HD1 ILE 35 -5.658 -9.748 3.648
259 H ILE 36 H ILE 36 -5.379 -5.278 0.502
260 HA ILE 36 HA ILE 36 -2.567 -5.242 -0.216
261 HB ILE 36 HB ILE 36 -4.250 -3.215 -1.601
262 1HG1 ILE 36 2HG1 ILE 36 -3.752 -6.003 -2.638
263 2HG1 ILE 36 1HG1 ILE 36 -5.310 -5.270 -2.292
264 1HG2 ILE 36 1HG2 ILE 36 -2.220 -3.830 -3.270
265 2HG2 ILE 36 2HG2 ILE 36 -1.494 -4.167 -1.703
266 3HG2 ILE 36 3HG2 ILE 36 -2.160 -2.573 -2.037
267 1HD1 ILE 36 1HD1 ILE 36 -3.500 -4.876 -4.602
268 2HD1 ILE 36 2HD1 ILE 36 -4.481 -3.510 -4.071
269 3HD1 ILE 36 3HD1 ILE 36 -5.256 -5.020 -4.544
270 H GLU 37 H GLU 37 -1.573 -4.026 1.321
271 HA GLU 37 HA GLU 37 -3.140 -1.865 2.566
272 1HB GLU 37 2HB GLU 37 -1.011 -2.214 4.247
273 2HB GLU 37 1HB GLU 37 -2.597 -2.953 4.458
274 1HG GLU 37 2HG GLU 37 -1.734 -4.921 3.160
275 2HG GLU 37 1HG GLU 37 -0.134 -4.190 3.258
276 H ARG 38 H ARG 38 -1.889 0.046 3.283
277 HA ARG 38 HA ARG 38 0.259 0.662 1.359
278 1HB ARG 38 2HB ARG 38 -1.413 2.798 2.631
279 2HB ARG 38 1HB ARG 38 -0.537 2.834 1.109
280 1HG ARG 38 2HG ARG 38 -2.772 0.909 1.300
281 2HG ARG 38 1HG ARG 38 -3.192 2.621 1.270
282 1HD ARG 38 2HD ARG 38 -1.904 2.903 -0.787
283 2HD ARG 38 1HD ARG 38 -1.470 1.194 -0.754
284 HE ARG 38 HE ARG 38 -3.906 2.318 -1.701
285 1HH1 ARG 38 1HH1 ARG 38 -2.570 -0.483 -0.108
286 2HH1 ARG 38 2HH1 ARG 38 -3.818 -1.548 -0.662
287 1HH2 ARG 38 1HH2 ARG 38 -5.546 0.918 -2.435
288 2HH2 ARG 38 2HH2 ARG 38 -5.507 -0.755 -1.984
289 H GLY 39 H GLY 39 1.457 2.786 2.213
290 1HA GLY 39 2HA GLY 39 1.803 3.131 4.986
291 2HA GLY 39 1HA GLY 39 3.009 1.995 4.403
292 H CYS 40 H CYS 40 4.147 4.064 5.426
293 HA CYS 40 HA CYS 40 4.862 5.781 3.141
294 1HB CYS 40 2HB CYS 40 3.909 6.530 5.784
295 2HB CYS 40 1HB CYS 40 5.481 7.253 5.430
296 H GLY 41 H GLY 41 6.519 4.159 2.762
297 1HA GLY 41 2HA GLY 41 9.051 4.908 3.513
298 2HA GLY 41 1HA GLY 41 8.575 3.691 4.697
299 H CYS 42 H CYS 42 10.000 2.111 4.075
300 HA CYS 42 HA CYS 42 9.233 0.559 1.787
301 1HB CYS 42 2HB CYS 42 10.782 2.308 0.831
302 2HB CYS 42 1HB CYS 42 12.066 1.616 1.826
303 HA PRO 43 HA PRO 43 11.292 -1.643 5.383
304 1HB PRO 43 2HB PRO 43 9.141 -2.691 6.594
305 2HB PRO 43 1HB PRO 43 9.671 -1.031 6.916
306 1HG PRO 43 2HG PRO 43 7.461 -2.010 5.147
307 2HG PRO 43 1HG PRO 43 7.477 -0.630 6.263
308 1HD PRO 43 2HD PRO 43 7.850 -0.425 3.546
309 2HD PRO 43 1HD PRO 43 8.466 0.749 4.730
310 H LYS 44 H LYS 44 10.457 -4.083 6.104
311 HA LYS 44 HA LYS 44 10.440 -5.547 3.563
312 1HB LYS 44 2HB LYS 44 12.052 -5.796 5.791
313 2HB LYS 44 1HB LYS 44 10.904 -7.112 5.991
314 1HG LYS 44 2HG LYS 44 12.892 -7.854 4.812
315 2HG LYS 44 1HG LYS 44 11.470 -7.953 3.772
316 1HD LYS 44 2HD LYS 44 12.268 -6.421 2.332
317 2HD LYS 44 1HD LYS 44 12.902 -5.399 3.623
318 1HE LYS 44 2HE LYS 44 14.319 -7.945 3.250
319 2HE LYS 44 1HE LYS 44 14.428 -6.830 1.887
320 1HZ LYS 44 1HZ LYS 44 15.656 -5.370 3.064
321 2HZ LYS 44 2HZ LYS 44 16.067 -6.742 3.963
322 3HZ LYS 44 3HZ LYS 44 14.869 -5.690 4.528
323 H VAL 45 H VAL 45 9.505 -7.929 4.054
324 HA VAL 45 HA VAL 45 6.924 -7.679 5.420
325 HB VAL 45 HB VAL 45 5.733 -8.697 3.545
326 1HG1 VAL 45 1HG1 VAL 45 6.706 -6.082 3.666
327 2HG1 VAL 45 2HG1 VAL 45 5.304 -6.663 2.765
328 3HG1 VAL 45 3HG1 VAL 45 6.881 -6.572 1.980
329 1HG2 VAL 45 1HG2 VAL 45 6.961 -9.942 2.145
330 2HG2 VAL 45 2HG2 VAL 45 8.445 -9.072 2.530
331 3HG2 VAL 45 3HG2 VAL 45 7.330 -8.423 1.328
332 H LYS 46 H LYS 46 6.319 -10.387 3.975
333 HA LYS 46 HA LYS 46 8.232 -12.134 5.165
334 1HB LYS 46 2HB LYS 46 6.673 -13.289 6.623
335 2HB LYS 46 1HB LYS 46 6.765 -11.589 7.066
336 1HG LYS 46 2HG LYS 46 4.688 -12.076 5.121
337 2HG LYS 46 1HG LYS 46 4.472 -13.058 6.571
338 1HD LYS 46 2HD LYS 46 5.061 -10.711 7.719
339 2HD LYS 46 1HD LYS 46 4.339 -10.120 6.221
340 1HE LYS 46 2HE LYS 46 2.558 -12.034 6.932
341 2HE LYS 46 1HE LYS 46 3.101 -11.483 8.516
342 1HZ LYS 46 1HZ LYS 46 2.433 -9.422 6.567
343 2HZ LYS 46 2HZ LYS 46 2.164 -9.462 8.236
344 3HZ LYS 46 3HZ LYS 46 1.141 -10.316 7.195
345 HA PRO 47 HA PRO 47 7.597 -14.827 1.751
346 1HB PRO 47 2HB PRO 47 6.895 -16.898 3.747
347 2HB PRO 47 1HB PRO 47 8.114 -16.922 2.481
348 1HG PRO 47 2HG PRO 47 8.547 -16.458 5.184
349 2HG PRO 47 1HG PRO 47 9.699 -16.197 3.872
350 1HD PRO 47 2HD PRO 47 8.496 -14.237 5.514
351 2HD PRO 47 1HD PRO 47 9.501 -13.977 4.072
352 H GLY 48 H GLY 48 5.853 -14.926 0.486
353 1HA GLY 48 2HA GLY 48 3.696 -15.806 -0.043
354 2HA GLY 48 1HA GLY 48 3.281 -15.721 1.668
355 H VAL 49 H VAL 49 4.507 -12.953 1.751
356 HA VAL 49 HA VAL 49 2.138 -11.562 0.718
357 HB VAL 49 HB VAL 49 4.158 -10.515 2.700
358 1HG1 VAL 49 1HG1 VAL 49 1.414 -9.508 2.744
359 2HG1 VAL 49 2HG1 VAL 49 2.284 -9.155 1.252
360 3HG1 VAL 49 3HG1 VAL 49 2.944 -8.636 2.802
361 1HG2 VAL 49 1HG2 VAL 49 2.908 -12.609 3.419
362 2HG2 VAL 49 2HG2 VAL 49 1.447 -11.621 3.381
363 3HG2 VAL 49 3HG2 VAL 49 2.767 -11.203 4.473
364 H ASN 50 H ASN 50 2.277 -9.929 -0.736
365 HA ASN 50 HA ASN 50 4.896 -9.485 -1.965
366 1HB ASN 50 2HB ASN 50 2.336 -8.395 -3.080
367 2HB ASN 50 1HB ASN 50 3.797 -8.893 -3.932
368 1HD2 ASN 50 1HD2 ASN 50 0.741 -9.637 -3.740
369 2HD2 ASN 50 2HD2 ASN 50 0.789 -11.367 -3.881
370 H LEU 51 H LEU 51 5.653 -7.379 -2.444
371 HA LEU 51 HA LEU 51 4.322 -5.067 -1.389
372 1HB LEU 51 2HB LEU 51 5.237 -5.886 0.670
373 2HB LEU 51 1HB LEU 51 6.802 -6.156 -0.071
374 HG LEU 51 HG LEU 51 6.770 -3.576 -0.465
375 1HD1 LEU 51 1HD1 LEU 51 5.106 -3.581 2.008
376 2HD1 LEU 51 2HD1 LEU 51 4.320 -3.607 0.429
377 3HD1 LEU 51 3HD1 LEU 51 5.406 -2.283 0.853
378 1HD2 LEU 51 1HD2 LEU 51 8.063 -5.153 1.227
379 2HD2 LEU 51 2HD2 LEU 51 7.098 -4.257 2.402
380 3HD2 LEU 51 3HD2 LEU 51 8.181 -3.394 1.307
381 H ASN 52 H ASN 52 5.190 -3.135 -2.155
382 HA ASN 52 HA ASN 52 7.707 -3.138 -3.573
383 1HB ASN 52 2HB ASN 52 6.944 -2.771 -5.745
384 2HB ASN 52 1HB ASN 52 5.853 -4.020 -5.157
385 1HD2 ASN 52 1HD2 ASN 52 4.033 -2.688 -3.716
386 2HD2 ASN 52 2HD2 ASN 52 3.180 -1.551 -4.697
387 H CYS 53 H CYS 53 8.678 -1.259 -3.204
388 HA CYS 53 HA CYS 53 7.180 0.951 -2.101
389 1HB CYS 53 2HB CYS 53 10.133 0.885 -2.699
390 2HB CYS 53 1HB CYS 53 9.280 1.869 -1.516
391 H CYS 54 H CYS 54 7.452 3.135 -2.894
392 HA CYS 54 HA CYS 54 8.430 3.617 -5.543
393 1HB CYS 54 2HB CYS 54 6.080 4.510 -6.243
394 2HB CYS 54 1HB CYS 54 6.450 2.796 -6.429
395 H ARG 55 H ARG 55 8.374 5.753 -6.161
396 HA ARG 55 HA ARG 55 7.988 7.611 -3.931
397 1HB ARG 55 2HB ARG 55 9.928 8.517 -5.833
398 2HB ARG 55 1HB ARG 55 10.117 8.188 -4.120
399 1HG ARG 55 2HG ARG 55 10.328 5.730 -4.844
400 2HG ARG 55 1HG ARG 55 10.634 6.398 -6.451
401 1HD ARG 55 2HD ARG 55 12.230 6.722 -3.930
402 2HD ARG 55 1HD ARG 55 12.758 6.126 -5.504
403 HE ARG 55 HE ARG 55 11.931 8.740 -5.869
404 1HH1 ARG 55 1HH1 ARG 55 14.398 7.049 -4.072
405 2HH1 ARG 55 2HH1 ARG 55 15.516 8.371 -4.119
406 1HH2 ARG 55 1HH2 ARG 55 13.401 10.482 -5.932
407 2HH2 ARG 55 2HH2 ARG 55 14.951 10.320 -5.174
408 H THR 56 H THR 56 5.974 7.044 -5.864
409 HA THR 56 HA THR 56 5.894 9.611 -7.310
410 HB THR 56 HB THR 56 4.113 7.658 -8.464
411 HG1 THR 56 1HG THR 56 5.475 6.044 -7.924
412 1HG2 THR 56 1HG2 THR 56 5.690 9.753 -9.345
413 2HG2 THR 56 2HG2 THR 56 4.696 8.683 -10.334
414 3HG2 THR 56 3HG2 THR 56 6.404 8.319 -10.083
415 H ASP 57 H ASP 57 3.829 10.617 -7.507
416 HA ASP 57 HA ASP 57 2.271 10.490 -5.152
417 1HB ASP 57 2HB ASP 57 2.575 12.280 -7.260
418 2HB ASP 57 1HB ASP 57 0.902 11.732 -7.407
419 H ARG 58 H ARG 58 0.618 9.215 -4.628
420 HA ARG 58 HA ARG 58 -1.081 7.708 -4.763
421 1HB ARG 58 2HB ARG 58 -1.333 8.678 -7.617
422 2HB ARG 58 1HB ARG 58 -2.543 7.763 -6.722
423 1HG ARG 58 2HG ARG 58 -2.621 9.671 -5.088
424 2HG ARG 58 1HG ARG 58 -1.622 10.581 -6.222
425 1HD ARG 58 2HD ARG 58 -3.546 9.719 -7.889
426 2HD ARG 58 1HD ARG 58 -4.467 9.806 -6.389
427 HE ARG 58 HE ARG 58 -3.061 12.187 -6.619
428 1HH1 ARG 58 1HH1 ARG 58 -5.558 10.482 -8.360
429 2HH1 ARG 58 2HH1 ARG 58 -6.294 11.925 -8.969
430 1HH2 ARG 58 1HH2 ARG 58 -4.028 14.088 -7.418
431 2HH2 ARG 58 2HH2 ARG 58 -5.426 13.974 -8.434
432 H CYS 59 H CYS 59 1.701 7.006 -5.523
433 HA CYS 59 HA CYS 59 1.676 5.160 -7.653
434 1HB CYS 59 2HB CYS 59 3.842 4.543 -6.942
435 2HB CYS 59 1HB CYS 59 3.692 6.259 -6.573
436 H ASN 60 H ASN 60 0.661 4.954 -4.351
437 HA ASN 60 HA ASN 60 0.375 2.033 -4.579
438 1HB ASN 60 2HB ASN 60 0.104 2.066 -2.109
439 2HB ASN 60 1HB ASN 60 1.662 2.709 -2.636
440 1HD2 ASN 60 1HD2 ASN 60 1.040 3.343 -0.195
441 2HD2 ASN 60 2HD2 ASN 60 0.482 4.981 -0.054
442 H ASN 61 H ASN 61 -1.403 3.955 -5.854
443 HA ASN 61 HA ASN 61 -3.781 4.287 -4.384
444 1HB ASN 61 2HB ASN 61 -4.799 4.785 -6.560
445 2HB ASN 61 1HB ASN 61 -3.260 5.613 -6.374
446 1HD2 ASN 61 1HD2 ASN 61 -4.764 4.844 -8.777
447 2HD2 ASN 61 2HD2 ASN 61 -3.670 3.882 -9.721