NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
5388 |
1hd4   |
cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 -6.407 -21.071 -17.731
2 H2 ALA 1 H2 ALA 1 -7.525 -21.692 -18.877
3 H3 ALA 1 H3 ALA 1 -5.879 -22.176 -18.930
4 HA ALA 1 HA ALA 1 -5.535 -20.612 -20.363
5 1HB ALA 1 3HB ALA 1 -8.301 -19.706 -19.616
6 2HB ALA 1 2HB ALA 1 -7.321 -18.873 -20.823
7 3HB ALA 1 1HB ALA 1 -7.781 -20.558 -21.070
8 HA PRO 2 HA PRO 2 -3.764 -17.616 -17.562
9 1HB PRO 2 1HB PRO 2 -1.955 -16.802 -19.616
10 2HB PRO 2 2HB PRO 2 -1.633 -17.873 -18.253
11 1HG PRO 2 1HG PRO 2 -1.680 -18.630 -20.925
12 2HG PRO 2 2HG PRO 2 -1.798 -19.728 -19.543
13 1HD PRO 2 1HD PRO 2 -3.940 -18.686 -21.327
14 2HD PRO 2 2HD PRO 2 -3.812 -20.254 -20.501
15 H ASP 3 H ASP 3 -3.543 -15.318 -17.430
16 HA ASP 3 HA ASP 3 -4.270 -13.619 -19.604
17 1HB ASP 3 1HB ASP 3 -6.300 -12.767 -18.037
18 2HB ASP 3 2HB ASP 3 -6.507 -13.914 -19.358
19 H VAL 4 H VAL 4 -5.294 -12.950 -16.330
20 HA VAL 4 HA VAL 4 -3.001 -11.122 -16.031
21 HB VAL 4 HB VAL 4 -4.463 -9.632 -14.736
22 1HG1 VAL 4 1HG1 VAL 4 -4.481 -10.047 -17.511
23 2HG1 VAL 4 2HG1 VAL 4 -6.152 -9.717 -17.052
24 3HG1 VAL 4 3HG1 VAL 4 -4.881 -8.567 -16.640
25 1HG2 VAL 4 1HG2 VAL 4 -6.025 -11.493 -14.032
26 2HG2 VAL 4 2HG2 VAL 4 -6.795 -9.979 -14.509
27 3HG2 VAL 4 3HG2 VAL 4 -6.772 -11.346 -15.623
28 H GLN 5 H GLN 5 -3.365 -10.334 -13.431
29 HA GLN 5 HA GLN 5 -3.092 -12.862 -11.937
30 1HB GLN 5 1HB GLN 5 -1.670 -10.294 -11.253
31 2HB GLN 5 2HB GLN 5 -1.352 -11.906 -10.627
32 1HG GLN 5 1HG GLN 5 -0.052 -12.460 -12.359
33 2HG GLN 5 2HG GLN 5 -1.104 -11.670 -13.532
34 2HE2 GLN 5 2HE2 GLN 5 -0.972 -9.305 -13.643
35 1HE2 GLN 5 1HE2 GLN 5 0.557 -8.551 -13.376
36 H ASP 6 H ASP 6 -5.429 -10.986 -12.341
37 HA ASP 6 HA ASP 6 -7.170 -10.173 -11.120
38 1HB ASP 6 1HB ASP 6 -5.926 -11.607 -8.768
39 2HB ASP 6 2HB ASP 6 -7.617 -11.162 -8.974
40 H CYS 7 H CYS 7 -6.847 -9.688 -8.120
41 HA CYS 7 HA CYS 7 -5.034 -7.389 -8.179
42 1HB CYS 7 1HB CYS 7 -6.921 -6.156 -8.615
43 2HB CYS 7 2HB CYS 7 -7.992 -7.320 -7.845
44 HA PRO 8 HA PRO 8 -4.194 -9.791 -4.378
45 1HB PRO 8 1HB PRO 8 -1.919 -7.873 -4.417
46 2HB PRO 8 2HB PRO 8 -1.913 -9.627 -4.192
47 1HG PRO 8 1HG PRO 8 -1.110 -8.554 -6.489
48 2HG PRO 8 2HG PRO 8 -2.059 -10.052 -6.468
49 1HD PRO 8 1HD PRO 8 -2.931 -7.263 -7.107
50 2HD PRO 8 2HD PRO 8 -3.406 -8.795 -7.869
51 H GLU 9 H GLU 9 -2.480 -7.818 -2.740
52 HA GLU 9 HA GLU 9 -4.700 -6.152 -1.749
53 1HB GLU 9 1HB GLU 9 -3.896 -8.210 -0.352
54 2HB GLU 9 2HB GLU 9 -2.539 -7.171 0.060
55 1HG GLU 9 1HG GLU 9 -3.934 -5.602 1.124
56 2HG GLU 9 2HG GLU 9 -5.392 -6.324 0.444
57 H CYS 10 H CYS 10 -4.067 -4.181 -0.655
58 HA CYS 10 HA CYS 10 -2.178 -2.703 -2.102
59 1HB CYS 10 1HB CYS 10 -4.134 -1.763 -0.845
60 2HB CYS 10 2HB CYS 10 -3.232 -2.021 0.645
61 H THR 11 H THR 11 -0.115 -3.360 -2.107
62 HA THR 11 HA THR 11 1.285 -3.438 0.483
63 HB THR 11 HB THR 11 1.137 -5.709 -0.369
64 HG1 THR 11 HG1 THR 11 3.199 -4.784 0.488
65 1HG2 THR 11 1HG2 THR 11 2.237 -4.538 -2.894
66 2HG2 THR 11 2HG2 THR 11 2.421 -6.245 -2.494
67 3HG2 THR 11 3HG2 THR 11 0.810 -5.551 -2.673
68 H LEU 12 H LEU 12 3.801 -3.917 -1.039
69 HA LEU 12 HA LEU 12 4.170 -1.161 -1.997
70 1HB LEU 12 1HB LEU 12 5.968 -3.057 -0.539
71 2HB LEU 12 2HB LEU 12 6.644 -1.747 -1.490
72 HG LEU 12 HG LEU 12 5.640 -0.089 -0.098
73 1HD1 LEU 12 1HD1 LEU 12 3.951 -2.365 0.791
74 2HD1 LEU 12 2HD1 LEU 12 4.299 -1.083 1.950
75 3HD1 LEU 12 3HD1 LEU 12 3.509 -0.698 0.420
76 1HD2 LEU 12 1HD2 LEU 12 6.703 -2.336 1.616
77 2HD2 LEU 12 2HD2 LEU 12 7.664 -1.104 0.799
78 3HD2 LEU 12 3HD2 LEU 12 6.565 -0.646 2.099
79 H GLN 13 H GLN 13 4.949 -0.801 -3.992
80 HA GLN 13 HA GLN 13 5.359 -3.146 -5.684
81 1HB GLN 13 1HB GLN 13 5.045 -0.283 -6.485
82 2HB GLN 13 2HB GLN 13 5.030 -1.685 -7.550
83 1HG GLN 13 1HG GLN 13 3.121 -2.054 -5.489
84 2HG GLN 13 2HG GLN 13 2.876 -0.476 -6.233
85 2HE2 GLN 13 2HE2 GLN 13 3.808 -3.695 -7.404
86 1HE2 GLN 13 1HE2 GLN 13 2.631 -3.771 -8.665
87 H GLU 14 H GLU 14 7.369 -2.859 -4.157
88 HA GLU 14 HA GLU 14 9.542 -1.721 -4.018
89 1HB GLU 14 1HB GLU 14 9.544 -4.194 -4.149
90 2HB GLU 14 2HB GLU 14 9.732 -4.059 -5.891
91 1HG GLU 14 1HG GLU 14 11.813 -2.645 -5.328
92 2HG GLU 14 2HG GLU 14 11.677 -3.375 -3.730
93 H ASN 15 H ASN 15 10.439 -0.116 -4.863
94 HA ASN 15 HA ASN 15 9.955 1.128 -7.217
95 1HB ASN 15 1HB ASN 15 11.357 1.797 -5.127
96 2HB ASN 15 2HB ASN 15 12.709 1.263 -6.116
97 2HD2 ASN 15 2HD2 ASN 15 11.758 3.905 -5.108
98 1HD2 ASN 15 1HD2 ASN 15 11.721 4.920 -6.493
99 HA PRO 16 HA PRO 16 12.057 -1.618 -10.090
100 1HB PRO 16 1HB PRO 16 10.893 -0.688 -12.315
101 2HB PRO 16 2HB PRO 16 9.991 -1.682 -11.163
102 1HG PRO 16 1HG PRO 16 9.972 1.289 -11.527
103 2HG PRO 16 2HG PRO 16 8.613 0.189 -11.236
104 1HD PRO 16 1HD PRO 16 9.831 1.705 -9.283
105 2HD PRO 16 2HD PRO 16 8.935 0.207 -8.972
106 H PHE 17 H PHE 17 12.791 1.269 -9.155
107 HA PHE 17 HA PHE 17 14.646 1.851 -11.367
108 1HB PHE 17 1HB PHE 17 12.902 3.582 -11.217
109 2HB PHE 17 2HB PHE 17 13.278 3.818 -9.513
110 HD1 PHE 17 HD1 PHE 17 15.725 4.491 -8.970
111 HD2 PHE 17 HD2 PHE 17 13.917 4.906 -12.799
112 HE1 PHE 17 HE1 PHE 17 17.399 6.193 -9.573
113 HE2 PHE 17 HE2 PHE 17 15.588 6.608 -13.410
114 HZ PHE 17 HZ PHE 17 17.332 7.253 -11.795
115 H PHE 18 H PHE 18 14.023 2.473 -7.938
116 HA PHE 18 HA PHE 18 16.775 2.876 -7.301
117 1HB PHE 18 1HB PHE 18 14.440 3.546 -6.090
118 2HB PHE 18 2HB PHE 18 14.913 2.149 -5.132
119 HD1 PHE 18 HD1 PHE 18 17.618 2.227 -4.678
120 HD2 PHE 18 HD2 PHE 18 14.997 5.540 -5.135
121 HE1 PHE 18 HE1 PHE 18 19.177 3.626 -3.380
122 HE2 PHE 18 HE2 PHE 18 16.549 6.952 -3.841
123 HZ PHE 18 HZ PHE 18 18.640 5.993 -2.960
124 H SER 19 H SER 19 14.814 0.137 -7.740
125 HA SER 19 HA SER 19 15.784 -1.694 -5.913
126 1HB SER 19 1HB SER 19 15.309 -3.412 -7.725
127 2HB SER 19 2HB SER 19 13.969 -2.338 -7.322
128 HG SER 19 HG SER 19 15.705 -1.574 -9.374
129 H GLN 20 H GLN 20 17.996 -1.005 -5.632
130 HA GLN 20 HA GLN 20 19.828 -1.856 -7.763
131 1HB GLN 20 1HB GLN 20 21.284 -0.250 -7.079
132 2HB GLN 20 2HB GLN 20 19.815 0.479 -6.450
133 1HG GLN 20 1HG GLN 20 20.294 -0.195 -4.254
134 2HG GLN 20 2HG GLN 20 21.545 -1.318 -4.785
135 2HE2 GLN 20 2HE2 GLN 20 23.524 -0.448 -5.593
136 1HE2 GLN 20 1HE2 GLN 20 24.056 1.120 -5.100
137 HA PRO 21 HA PRO 21 21.493 -5.312 -5.632
138 1HB PRO 21 1HB PRO 21 24.204 -4.131 -5.619
139 2HB PRO 21 2HB PRO 21 23.631 -5.622 -6.374
140 1HG PRO 21 1HG PRO 21 24.236 -3.467 -7.842
141 2HG PRO 21 2HG PRO 21 22.890 -4.537 -8.275
142 1HD PRO 21 1HD PRO 21 22.832 -1.858 -6.944
143 2HD PRO 21 2HD PRO 21 21.742 -2.530 -8.174
144 H GLY 22 H GLY 22 20.297 -3.966 -3.789
145 1HA GLY 22 1HA GLY 22 22.169 -3.126 -1.713
146 2HA GLY 22 2HA GLY 22 21.178 -4.535 -1.369
147 H ALA 23 H ALA 23 19.538 -2.392 -3.370
148 HA ALA 23 HA ALA 23 17.863 -1.576 -1.138
149 1HB ALA 23 2HB ALA 23 18.293 0.632 -1.188
150 2HB ALA 23 3HB ALA 23 19.813 0.141 -1.934
151 3HB ALA 23 1HB ALA 23 18.464 0.660 -2.943
152 HA PRO 24 HA PRO 24 15.024 -2.295 -4.478
153 1HB PRO 24 1HB PRO 24 13.601 -4.094 -3.106
154 2HB PRO 24 2HB PRO 24 15.208 -4.490 -3.722
155 1HG PRO 24 1HG PRO 24 14.337 -4.053 -0.950
156 2HG PRO 24 2HG PRO 24 15.788 -4.865 -1.555
157 1HD PRO 24 1HD PRO 24 15.458 -2.118 -0.641
158 2HD PRO 24 2HD PRO 24 16.951 -3.023 -0.976
159 H ILE 25 H ILE 25 14.648 0.085 -3.617
160 HA ILE 25 HA ILE 25 12.855 0.875 -1.817
161 HB ILE 25 HB ILE 25 13.308 1.832 -4.618
162 1HG1 ILE 25 1HG1 ILE 25 15.232 1.784 -3.145
163 2HG1 ILE 25 2HG1 ILE 25 14.706 3.454 -3.350
164 1HG2 ILE 25 1HG2 ILE 25 11.796 3.039 -2.306
165 2HG2 ILE 25 2HG2 ILE 25 12.453 4.012 -3.617
166 3HG2 ILE 25 3HG2 ILE 25 11.216 2.802 -3.954
167 1HD1 ILE 25 1HD1 ILE 25 13.324 3.081 -1.241
168 2HD1 ILE 25 2HD1 ILE 25 14.325 1.652 -1.004
169 3HD1 ILE 25 3HD1 ILE 25 15.071 3.244 -1.067
170 H LEU 26 H LEU 26 10.623 1.983 -2.595
171 HA LEU 26 HA LEU 26 8.927 -0.043 -3.861
172 1HB LEU 26 1HB LEU 26 7.844 0.984 -1.421
173 2HB LEU 26 2HB LEU 26 8.084 -0.686 -1.922
174 HG LEU 26 HG LEU 26 10.480 0.832 -1.152
175 1HD1 LEU 26 1HD1 LEU 26 8.277 0.930 0.539
176 2HD1 LEU 26 2HD1 LEU 26 9.293 -0.351 1.198
177 3HD1 LEU 26 3HD1 LEU 26 9.958 1.262 0.958
178 1HD2 LEU 26 1HD2 LEU 26 9.496 -1.981 -0.675
179 2HD2 LEU 26 2HD2 LEU 26 10.739 -1.458 -1.807
180 3HD2 LEU 26 3HD2 LEU 26 11.030 -1.357 -0.072
181 H GLN 27 H GLN 27 6.617 0.864 -2.798
182 HA GLN 27 HA GLN 27 5.840 3.434 -2.799
183 1HB GLN 27 1HB GLN 27 6.862 4.062 -4.786
184 2HB GLN 27 2HB GLN 27 6.412 2.575 -5.606
185 1HG GLN 27 1HG GLN 27 4.045 3.961 -4.818
186 2HG GLN 27 2HG GLN 27 5.113 5.070 -5.676
187 2HE2 GLN 27 2HE2 GLN 27 4.768 5.148 -7.763
188 1HE2 GLN 27 1HE2 GLN 27 4.194 3.858 -8.759
189 H CYS 28 H CYS 28 4.603 1.751 -1.588
190 HA CYS 28 HA CYS 28 2.901 0.039 -1.632
191 1HB CYS 28 1HB CYS 28 2.460 2.579 -0.702
192 2HB CYS 28 2HB CYS 28 1.076 2.320 -1.749
193 H MET 29 H MET 29 1.957 -1.242 -3.053
194 HA MET 29 HA MET 29 1.372 -0.582 -5.715
195 1HB MET 29 1HB MET 29 1.675 -2.886 -5.141
196 2HB MET 29 2HB MET 29 0.399 -2.817 -3.936
197 1HG MET 29 1HG MET 29 -1.191 -2.344 -5.842
198 2HG MET 29 2HG MET 29 0.132 -2.774 -6.925
199 1HE MET 29 1HE MET 29 -0.033 -4.753 -8.042
200 2HE MET 29 2HE MET 29 -0.835 -6.243 -7.545
201 3HE MET 29 3HE MET 29 -1.788 -4.797 -7.879
202 H GLY 30 H GLY 30 -1.229 -1.768 -3.645
203 1HA GLY 30 1HA GLY 30 -2.839 0.548 -4.531
204 2HA GLY 30 2HA GLY 30 -3.006 -0.179 -2.944
205 H CYS 31 H CYS 31 -3.912 -2.335 -2.797
206 HA CYS 31 HA CYS 31 -6.149 -2.637 -4.502
207 1HB CYS 31 1HB CYS 31 -3.815 -3.817 -5.495
208 2HB CYS 31 2HB CYS 31 -4.724 -5.146 -4.786
209 H CYS 32 H CYS 32 -6.019 -2.342 -1.848
210 HA CYS 32 HA CYS 32 -6.008 -4.831 -0.438
211 1HB CYS 32 1HB CYS 32 -6.375 -2.008 0.223
212 2HB CYS 32 2HB CYS 32 -7.432 -3.067 1.150
213 H PHE 33 H PHE 33 -7.570 -5.461 -2.432
214 HA PHE 33 HA PHE 33 -9.635 -6.164 -3.102
215 1HB PHE 33 1HB PHE 33 -10.615 -6.294 -0.303
216 2HB PHE 33 2HB PHE 33 -10.659 -7.516 -1.567
217 HD1 PHE 33 HD1 PHE 33 -7.647 -7.370 -2.194
218 HD2 PHE 33 HD2 PHE 33 -9.847 -7.718 1.433
219 HE1 PHE 33 HE1 PHE 33 -5.737 -8.517 -1.149
220 HE2 PHE 33 HE2 PHE 33 -7.941 -8.864 2.485
221 HZ PHE 33 HZ PHE 33 -5.884 -9.266 1.194
222 H SER 34 H SER 34 -12.179 -5.878 -2.073
223 HA SER 34 HA SER 34 -12.593 -3.006 -1.708
224 1HB SER 34 1HB SER 34 -14.287 -4.450 -3.724
225 2HB SER 34 2HB SER 34 -13.992 -2.720 -3.554
226 HG SER 34 HG SER 34 -12.543 -3.022 -5.037
227 H ARG 35 H ARG 35 -12.875 -4.486 0.385
228 HA ARG 35 HA ARG 35 -15.309 -5.883 0.710
229 1HB ARG 35 1HB ARG 35 -13.528 -6.288 2.256
230 2HB ARG 35 2HB ARG 35 -13.446 -4.588 2.699
231 1HG ARG 35 1HG ARG 35 -14.514 -5.873 4.448
232 2HG ARG 35 2HG ARG 35 -15.667 -4.753 3.719
233 1HD ARG 35 1HD ARG 35 -16.039 -6.955 2.182
234 2HD ARG 35 2HD ARG 35 -15.626 -7.691 3.731
235 HE ARG 35 HE ARG 35 -17.661 -5.622 3.793
236 1HH1 ARG 35 1HH1 ARG 35 -16.924 -9.023 3.685
237 2HH1 ARG 35 2HH1 ARG 35 -18.480 -9.512 4.268
238 1HH2 ARG 35 1HH2 ARG 35 -19.716 -6.253 4.557
239 2HH2 ARG 35 2HH2 ARG 35 -20.069 -7.936 4.762
240 H ALA 36 H ALA 36 -17.282 -5.266 1.501
241 HA ALA 36 HA ALA 36 -17.692 -2.383 1.933
242 1HB ALA 36 3HB ALA 36 -18.792 -4.026 -0.136
243 2HB ALA 36 1HB ALA 36 -20.082 -3.415 0.898
244 3HB ALA 36 2HB ALA 36 -18.965 -2.290 0.123
245 H TYR 37 H TYR 37 -17.584 -2.840 4.184
246 HA TYR 37 HA TYR 37 -19.177 -4.702 5.529
247 1HB TYR 37 1HB TYR 37 -17.734 -2.214 6.295
248 2HB TYR 37 2HB TYR 37 -18.944 -2.824 7.420
249 HD1 TYR 37 HD1 TYR 37 -18.712 -5.274 8.176
250 HD2 TYR 37 HD2 TYR 37 -15.585 -3.118 6.261
251 HE1 TYR 37 HE1 TYR 37 -17.073 -6.880 9.059
252 HE2 TYR 37 HE2 TYR 37 -13.936 -4.718 7.137
253 HH TYR 37 HH TYR 37 -14.472 -6.749 9.602
254 HA PRO 38 HA PRO 38 -22.666 -1.560 6.056
255 1HB PRO 38 1HB PRO 38 -22.273 1.058 5.994
256 2HB PRO 38 2HB PRO 38 -21.644 0.110 7.350
257 1HG PRO 38 1HG PRO 38 -20.200 1.138 4.931
258 2HG PRO 38 2HG PRO 38 -19.693 1.173 6.631
259 1HD PRO 38 1HD PRO 38 -18.882 -0.729 4.797
260 2HD PRO 38 2HD PRO 38 -18.897 -0.962 6.555
261 H THR 39 H THR 39 -23.587 0.737 4.778
262 HA THR 39 HA THR 39 -23.877 -0.210 2.075
263 HB THR 39 HB THR 39 -24.916 2.359 3.285
264 HG1 THR 39 HG1 THR 39 -25.623 0.542 4.468
265 1HG2 THR 39 1HG2 THR 39 -25.220 1.147 0.688
266 2HG2 THR 39 2HG2 THR 39 -26.772 1.342 1.503
267 3HG2 THR 39 3HG2 THR 39 -25.722 2.739 1.261
268 HA PRO 40 HA PRO 40 -20.218 1.881 0.573
269 1HB PRO 40 1HB PRO 40 -21.226 1.909 -2.065
270 2HB PRO 40 2HB PRO 40 -20.126 0.721 -1.361
271 1HG PRO 40 1HG PRO 40 -23.070 0.585 -1.747
272 2HG PRO 40 2HG PRO 40 -21.867 -0.717 -1.775
273 1HD PRO 40 1HD PRO 40 -23.528 -0.386 0.303
274 2HD PRO 40 2HD PRO 40 -21.848 -0.914 0.538
275 H LEU 41 H LEU 41 -19.874 3.990 0.703
276 HA LEU 41 HA LEU 41 -22.001 5.831 -0.169
277 1HB LEU 41 1HB LEU 41 -19.895 6.918 1.556
278 2HB LEU 41 2HB LEU 41 -21.634 7.127 1.633
279 HG LEU 41 HG LEU 41 -21.286 4.504 2.433
280 1HD1 LEU 41 1HD1 LEU 41 -18.910 6.123 3.147
281 2HD1 LEU 41 2HD1 LEU 41 -19.598 5.088 4.397
282 3HD1 LEU 41 3HD1 LEU 41 -19.061 4.388 2.870
283 1HD2 LEU 41 1HD2 LEU 41 -22.744 6.390 3.323
284 2HD2 LEU 41 2HD2 LEU 41 -22.107 5.245 4.501
285 3HD2 LEU 41 3HD2 LEU 41 -21.362 6.834 4.325
286 H ARG 42 H ARG 42 -21.137 8.031 -0.848
287 HA ARG 42 HA ARG 42 -18.509 7.932 -2.105
288 1HB ARG 42 1HB ARG 42 -20.316 8.991 -4.049
289 2HB ARG 42 2HB ARG 42 -19.226 7.619 -4.189
290 1HG ARG 42 1HG ARG 42 -20.859 6.092 -3.712
291 2HG ARG 42 2HG ARG 42 -21.816 7.242 -2.775
292 1HD ARG 42 1HD ARG 42 -21.752 8.309 -5.338
293 2HD ARG 42 2HD ARG 42 -21.952 6.575 -5.588
294 HE ARG 42 HE ARG 42 -23.717 7.827 -3.645
295 1HH1 ARG 42 1HH1 ARG 42 -23.248 6.660 -6.888
296 2HH1 ARG 42 2HH1 ARG 42 -24.941 6.505 -7.218
297 1HH2 ARG 42 1HH2 ARG 42 -25.953 7.634 -4.068
298 2HH2 ARG 42 2HH2 ARG 42 -26.479 7.060 -5.614
299 H SER 43 H SER 43 -18.698 10.164 -3.703
300 HA SER 43 HA SER 43 -18.975 12.460 -3.737
301 1HB SER 43 1HB SER 43 -21.040 12.083 -2.287
302 2HB SER 43 2HB SER 43 -19.989 12.339 -0.895
303 HG SER 43 HG SER 43 -20.918 14.147 -2.785
304 H LYS 44 H LYS 44 -16.653 12.242 -3.800
305 HA LYS 44 HA LYS 44 -15.387 13.690 -1.662
306 1HB LYS 44 1HB LYS 44 -15.419 11.147 -1.066
307 2HB LYS 44 2HB LYS 44 -14.149 11.028 -2.276
308 1HG LYS 44 1HG LYS 44 -13.391 11.270 0.109
309 2HG LYS 44 2HG LYS 44 -12.703 12.419 -1.040
310 1HD LYS 44 1HD LYS 44 -14.050 14.175 -0.253
311 2HD LYS 44 2HD LYS 44 -15.144 13.072 0.585
312 1HE LYS 44 1HE LYS 44 -13.116 12.437 2.008
313 2HE LYS 44 2HE LYS 44 -12.353 13.879 1.339
314 1HZ LYS 44 1HZ LYS 44 -14.682 14.880 2.136
315 2HZ LYS 44 2HZ LYS 44 -14.497 13.650 3.283
316 3HZ LYS 44 3HZ LYS 44 -13.307 14.838 3.119
317 H LYS 45 H LYS 45 -15.838 14.200 -4.403
318 HA LYS 45 HA LYS 45 -14.673 15.245 -6.072
319 1HB LYS 45 1HB LYS 45 -12.923 15.626 -4.243
320 2HB LYS 45 2HB LYS 45 -12.099 14.215 -4.889
321 1HG LYS 45 1HG LYS 45 -11.096 15.514 -6.371
322 2HG LYS 45 2HG LYS 45 -12.667 15.888 -7.080
323 1HD LYS 45 1HD LYS 45 -12.233 18.006 -6.505
324 2HD LYS 45 2HD LYS 45 -12.618 17.498 -4.859
325 1HE LYS 45 1HE LYS 45 -10.566 18.398 -4.470
326 2HE LYS 45 2HE LYS 45 -10.062 16.766 -4.904
327 1HZ LYS 45 1HZ LYS 45 -10.335 18.710 -7.069
328 2HZ LYS 45 2HZ LYS 45 -9.017 18.895 -6.026
329 3HZ LYS 45 3HZ LYS 45 -9.221 17.450 -6.881
330 H THR 46 H THR 46 -12.429 12.564 -5.465
331 HA THR 46 HA THR 46 -11.543 11.212 -7.185
332 HB THR 46 HB THR 46 -14.286 10.207 -6.420
333 HG1 THR 46 HG1 THR 46 -12.569 8.716 -5.327
334 1HG2 THR 46 1HG2 THR 46 -12.170 8.895 -8.065
335 2HG2 THR 46 2HG2 THR 46 -13.191 7.938 -6.991
336 3HG2 THR 46 3HG2 THR 46 -13.920 8.897 -8.279
337 H MET 47 H MET 47 -14.846 10.664 -8.181
338 HA MET 47 HA MET 47 -15.839 10.727 -10.230
339 1HB MET 47 1HB MET 47 -14.328 13.335 -10.229
340 2HB MET 47 2HB MET 47 -15.409 12.876 -11.538
341 1HG MET 47 1HG MET 47 -16.952 12.473 -9.308
342 2HG MET 47 2HG MET 47 -16.010 13.899 -8.883
343 1HE MET 47 1HE MET 47 -17.619 15.285 -8.537
344 2HE MET 47 2HE MET 47 -17.507 16.519 -9.792
345 3HE MET 47 3HE MET 47 -19.031 15.674 -9.519
346 H LEU 48 H LEU 48 -13.688 9.057 -10.220
347 HA LEU 48 HA LEU 48 -12.234 9.632 -12.710
348 1HB LEU 48 1HB LEU 48 -10.492 8.376 -11.940
349 2HB LEU 48 2HB LEU 48 -11.149 8.924 -10.410
350 HG LEU 48 HG LEU 48 -12.536 6.596 -10.811
351 1HD1 LEU 48 1HD1 LEU 48 -10.291 6.495 -12.551
352 2HD1 LEU 48 2HD1 LEU 48 -10.028 5.355 -11.231
353 3HD1 LEU 48 3HD1 LEU 48 -11.487 5.244 -12.215
354 1HD2 LEU 48 1HD2 LEU 48 -10.272 7.504 -9.182
355 2HD2 LEU 48 2HD2 LEU 48 -11.773 6.714 -8.704
356 3HD2 LEU 48 3HD2 LEU 48 -10.430 5.753 -9.324
357 H VAL 49 H VAL 49 -11.887 7.811 -14.202
358 HA VAL 49 HA VAL 49 -14.068 6.758 -15.337
359 HB VAL 49 HB VAL 49 -12.055 4.656 -15.238
360 1HG1 VAL 49 1HG1 VAL 49 -13.264 6.410 -17.356
361 2HG1 VAL 49 2HG1 VAL 49 -12.005 5.228 -17.714
362 3HG1 VAL 49 3HG1 VAL 49 -13.551 4.696 -17.052
363 1HG2 VAL 49 1HG2 VAL 49 -11.161 7.456 -15.899
364 2HG2 VAL 49 2HG2 VAL 49 -10.500 6.383 -14.665
365 3HG2 VAL 49 3HG2 VAL 49 -10.286 6.001 -16.374
366 H GLN 50 H GLN 50 -15.761 5.877 -14.340
367 HA GLN 50 HA GLN 50 -15.575 4.301 -11.987
368 1HB GLN 50 1HB GLN 50 -17.901 4.559 -13.898
369 2HB GLN 50 2HB GLN 50 -17.974 3.982 -12.238
370 1HG GLN 50 1HG GLN 50 -16.952 6.722 -12.866
371 2HG GLN 50 2HG GLN 50 -18.682 6.399 -12.750
372 2HE2 GLN 50 2HE2 GLN 50 -18.971 4.758 -10.710
373 1HE2 GLN 50 1HE2 GLN 50 -18.369 5.443 -9.242
374 H LYS 51 H LYS 51 -13.854 2.970 -13.404
375 HA LYS 51 HA LYS 51 -15.272 0.620 -14.477
376 1HB LYS 51 1HB LYS 51 -12.943 2.102 -15.405
377 2HB LYS 51 2HB LYS 51 -12.610 0.383 -15.239
378 1HG LYS 51 1HG LYS 51 -15.087 1.242 -16.648
379 2HG LYS 51 2HG LYS 51 -13.534 1.363 -17.477
380 1HD LYS 51 1HD LYS 51 -13.405 -1.143 -16.401
381 2HD LYS 51 2HD LYS 51 -15.122 -0.999 -16.781
382 1HE LYS 51 1HE LYS 51 -14.634 -1.484 -18.894
383 2HE LYS 51 2HE LYS 51 -13.763 0.045 -18.995
384 1HZ LYS 51 1HZ LYS 51 -12.522 -2.464 -18.014
385 2HZ LYS 51 2HZ LYS 51 -12.461 -1.975 -19.632
386 3HZ LYS 51 3HZ LYS 51 -11.744 -1.022 -18.433
387 H ASN 52 H ASN 52 -15.460 0.169 -12.069
388 HA ASN 52 HA ASN 52 -14.920 -1.193 -10.324
389 1HB ASN 52 1HB ASN 52 -12.683 -2.092 -12.155
390 2HB ASN 52 2HB ASN 52 -13.135 -2.884 -10.648
391 2HD2 ASN 52 2HD2 ASN 52 -13.406 -3.115 -13.862
392 1HD2 ASN 52 1HD2 ASN 52 -14.907 -3.961 -13.990
393 H VAL 53 H VAL 53 -14.028 1.465 -10.326
394 HA VAL 53 HA VAL 53 -11.715 1.222 -8.544
395 HB VAL 53 HB VAL 53 -11.803 3.536 -10.441
396 1HG1 VAL 53 1HG1 VAL 53 -10.278 3.289 -8.378
397 2HG1 VAL 53 2HG1 VAL 53 -9.381 2.136 -9.366
398 3HG1 VAL 53 3HG1 VAL 53 -9.556 3.807 -9.901
399 1HG2 VAL 53 1HG2 VAL 53 -11.946 1.549 -11.862
400 2HG2 VAL 53 2HG2 VAL 53 -10.378 2.342 -12.018
401 3HG2 VAL 53 3HG2 VAL 53 -10.531 0.871 -11.059
402 H THR 54 H THR 54 -14.658 1.721 -8.290
403 HA THR 54 HA THR 54 -14.478 4.293 -6.868
404 HB THR 54 HB THR 54 -16.006 3.946 -9.050
405 HG1 THR 54 HG1 THR 54 -16.642 5.445 -6.733
406 1HG2 THR 54 1HG2 THR 54 -17.787 3.175 -6.755
407 2HG2 THR 54 2HG2 THR 54 -18.358 3.724 -8.332
408 3HG2 THR 54 3HG2 THR 54 -17.434 2.227 -8.198
409 H SER 55 H SER 55 -15.734 1.019 -6.907
410 HA SER 55 HA SER 55 -17.271 1.164 -4.543
411 1HB SER 55 1HB SER 55 -16.401 -1.462 -4.689
412 2HB SER 55 2HB SER 55 -17.850 -0.809 -5.450
413 HG SER 55 HG SER 55 -15.301 -1.247 -6.578
414 H GLU 56 H GLU 56 -13.983 -0.116 -5.076
415 HA GLU 56 HA GLU 56 -13.177 -0.991 -2.707
416 1HB GLU 56 1HB GLU 56 -11.788 -0.387 -4.825
417 2HB GLU 56 2HB GLU 56 -11.461 1.116 -3.976
418 1HG GLU 56 1HG GLU 56 -10.975 -0.903 -2.114
419 2HG GLU 56 2HG GLU 56 -10.281 -1.479 -3.627
420 H SER 57 H SER 57 -12.232 -0.149 -0.787
421 HA SER 57 HA SER 57 -12.891 2.640 -0.160
422 1HB SER 57 1HB SER 57 -14.493 2.059 1.294
423 2HB SER 57 2HB SER 57 -14.266 0.364 0.864
424 HG SER 57 HG SER 57 -13.956 0.833 3.121
425 H THR 58 H THR 58 -12.108 2.626 2.504
426 HA THR 58 HA THR 58 -10.251 2.935 3.783
427 HB THR 58 HB THR 58 -8.497 1.009 3.495
428 HG1 THR 58 HG1 THR 58 -9.037 0.013 1.675
429 1HG2 THR 58 1HG2 THR 58 -10.489 1.274 5.199
430 2HG2 THR 58 2HG2 THR 58 -11.131 -0.092 4.288
431 3HG2 THR 58 3HG2 THR 58 -9.559 -0.218 5.077
432 H CYS 59 H CYS 59 -7.714 2.999 3.658
433 HA CYS 59 HA CYS 59 -6.677 3.635 1.042
434 1HB CYS 59 1HB CYS 59 -6.644 5.826 3.112
435 2HB CYS 59 2HB CYS 59 -6.184 5.930 1.417
436 H CYS 60 H CYS 60 -4.495 3.400 0.927
437 HA CYS 60 HA CYS 60 -3.124 2.825 3.466
438 1HB CYS 60 1HB CYS 60 -1.575 1.693 1.463
439 2HB CYS 60 2HB CYS 60 -2.671 0.839 2.544
440 H VAL 61 H VAL 61 -1.642 4.210 4.054
441 HA VAL 61 HA VAL 61 -0.110 5.666 2.004
442 HB VAL 61 HB VAL 61 -1.047 6.865 4.615
443 1HG1 VAL 61 1HG1 VAL 61 1.077 7.614 3.166
444 2HG1 VAL 61 2HG1 VAL 61 -0.180 8.538 2.343
445 3HG1 VAL 61 3HG1 VAL 61 0.079 8.747 4.076
446 1HG2 VAL 61 1HG2 VAL 61 -2.541 6.436 2.250
447 2HG2 VAL 61 2HG2 VAL 61 -3.006 7.339 3.691
448 3HG2 VAL 61 3HG2 VAL 61 -2.195 8.162 2.358
449 H ALA 62 H ALA 62 1.347 3.781 2.515
450 HA ALA 62 HA ALA 62 2.804 2.655 4.015
451 1HB ALA 62 1HB ALA 62 4.537 4.976 3.987
452 2HB ALA 62 3HB ALA 62 4.736 3.402 3.215
453 3HB ALA 62 2HB ALA 62 3.800 4.665 2.416
454 H LYS 63 H LYS 63 2.002 2.408 6.062
455 HA LYS 63 HA LYS 63 1.498 4.333 7.968
456 1HB LYS 63 1HB LYS 63 1.086 1.790 8.064
457 2HB LYS 63 2HB LYS 63 2.736 1.676 8.666
458 1HG LYS 63 1HG LYS 63 2.049 3.335 10.444
459 2HG LYS 63 2HG LYS 63 0.386 3.030 9.935
460 1HD LYS 63 1HD LYS 63 1.272 0.500 10.210
461 2HD LYS 63 2HD LYS 63 2.263 1.308 11.425
462 1HE LYS 63 1HE LYS 63 -0.723 1.640 11.257
463 2HE LYS 63 2HE LYS 63 0.048 0.384 12.226
464 1HZ LYS 63 1HZ LYS 63 1.296 2.793 12.843
465 2HZ LYS 63 2HZ LYS 63 -0.369 3.089 12.872
466 3HZ LYS 63 3HZ LYS 63 0.289 1.863 13.834
467 H SER 64 H SER 64 4.453 2.892 6.921
468 HA SER 64 HA SER 64 5.939 4.955 8.307
469 1HB SER 64 1HB SER 64 6.735 2.059 8.616
470 2HB SER 64 2HB SER 64 7.493 3.459 9.370
471 HG SER 64 HG SER 64 5.044 2.220 9.961
472 H TYR 65 H TYR 65 6.815 5.874 6.577
473 HA TYR 65 HA TYR 65 7.769 4.252 4.357
474 1HB TYR 65 1HB TYR 65 8.349 6.624 3.463
475 2HB TYR 65 2HB TYR 65 6.670 6.103 3.532
476 HD1 TYR 65 HD1 TYR 65 5.190 6.960 5.350
477 HD2 TYR 65 HD2 TYR 65 9.121 8.466 4.739
478 HE1 TYR 65 HE1 TYR 65 4.634 8.942 6.696
479 HE2 TYR 65 HE2 TYR 65 8.577 10.452 6.084
480 HH TYR 65 HH TYR 65 6.702 10.868 8.075
481 H ASN 66 H ASN 66 9.814 4.791 3.331
482 HA ASN 66 HA ASN 66 11.882 5.703 5.197
483 1HB ASN 66 1HB ASN 66 12.003 3.318 5.391
484 2HB ASN 66 2HB ASN 66 11.908 3.123 3.648
485 2HD2 ASN 66 2HD2 ASN 66 13.851 5.445 5.433
486 1HD2 ASN 66 1HD2 ASN 66 15.385 4.828 4.933
487 H ARG 67 H ARG 67 10.419 6.737 3.127
488 HA ARG 67 HA ARG 67 10.826 7.156 0.695
489 1HB ARG 67 1HB ARG 67 10.418 8.938 2.712
490 2HB ARG 67 2HB ARG 67 11.867 9.580 1.953
491 1HG ARG 67 1HG ARG 67 10.019 8.873 -0.088
492 2HG ARG 67 2HG ARG 67 9.180 9.840 1.126
493 1HD ARG 67 1HD ARG 67 11.855 10.711 0.124
494 2HD ARG 67 2HD ARG 67 10.422 10.999 -0.858
495 HE ARG 67 HE ARG 67 9.612 12.469 0.788
496 1HH1 ARG 67 1HH1 ARG 67 12.727 11.140 1.624
497 2HH1 ARG 67 2HH1 ARG 67 13.065 12.351 2.813
498 1HH2 ARG 67 1HH2 ARG 67 10.054 14.064 2.349
499 2HH2 ARG 67 2HH2 ARG 67 11.548 14.013 3.224
500 H VAL 68 H VAL 68 12.224 7.234 -0.868
501 HA VAL 68 HA VAL 68 15.049 7.795 -0.339
502 HB VAL 68 HB VAL 68 15.802 5.899 -1.616
503 1HG1 VAL 68 1HG1 VAL 68 14.627 5.672 0.866
504 2HG1 VAL 68 2HG1 VAL 68 13.924 4.337 -0.043
505 3HG1 VAL 68 3HG1 VAL 68 15.675 4.479 0.099
506 1HG2 VAL 68 1HG2 VAL 68 13.377 6.021 -2.869
507 2HG2 VAL 68 2HG2 VAL 68 14.541 4.718 -3.040
508 3HG2 VAL 68 3HG2 VAL 68 13.211 4.564 -1.899
509 H THR 69 H THR 69 13.492 9.655 -1.411
510 HA THR 69 HA THR 69 12.647 9.968 -3.837
511 HB THR 69 HB THR 69 14.810 11.698 -2.661
512 HG1 THR 69 HG1 THR 69 12.822 13.035 -2.381
513 1HG2 THR 69 1HG2 THR 69 12.964 12.297 -4.957
514 2HG2 THR 69 2HG2 THR 69 14.042 13.448 -4.168
515 3HG2 THR 69 3HG2 THR 69 14.710 12.078 -5.056
516 H VAL 70 H VAL 70 13.110 9.210 -5.747
517 HA VAL 70 HA VAL 70 15.928 8.802 -6.487
518 HB VAL 70 HB VAL 70 14.190 7.338 -8.212
519 1HG1 VAL 70 1HG1 VAL 70 16.421 6.763 -6.324
520 2HG1 VAL 70 2HG1 VAL 70 15.515 5.425 -7.028
521 3HG1 VAL 70 3HG1 VAL 70 16.350 6.573 -8.074
522 1HG2 VAL 70 1HG2 VAL 70 13.661 7.020 -5.274
523 2HG2 VAL 70 2HG2 VAL 70 12.506 7.170 -6.598
524 3HG2 VAL 70 3HG2 VAL 70 13.436 5.684 -6.404
525 H MET 71 H MET 71 15.712 8.291 -9.089
526 HA MET 71 HA MET 71 16.073 9.594 -10.977
527 1HB MET 71 1HB MET 71 13.187 10.172 -11.079
528 2HB MET 71 2HB MET 71 14.208 9.323 -12.233
529 1HG MET 71 1HG MET 71 14.185 7.382 -10.675
530 2HG MET 71 2HG MET 71 12.982 8.247 -9.721
531 1HE MET 71 1HE MET 71 13.124 8.626 -13.587
532 2HE MET 71 2HE MET 71 13.750 6.988 -13.410
533 3HE MET 71 3HE MET 71 12.173 7.252 -14.153
534 H GLY 72 H GLY 72 13.765 11.569 -11.613
535 1HA GLY 72 1HA GLY 72 13.650 13.851 -11.691
536 2HA GLY 72 2HA GLY 72 15.212 13.902 -10.887
537 H GLY 73 H GLY 73 13.774 12.091 -8.782
538 1HA GLY 73 1HA GLY 73 12.424 14.308 -7.380
539 2HA GLY 73 2HA GLY 73 13.528 13.210 -6.565
540 H PHE 74 H PHE 74 12.640 10.830 -7.879
541 HA PHE 74 HA PHE 74 9.826 10.537 -7.486
542 1HB PHE 74 1HB PHE 74 12.074 8.717 -8.219
543 2HB PHE 74 2HB PHE 74 10.563 8.004 -7.659
544 HD1 PHE 74 HD1 PHE 74 11.170 11.019 -9.751
545 HD2 PHE 74 HD2 PHE 74 9.555 7.087 -9.536
546 HE1 PHE 74 HE1 PHE 74 10.207 11.297 -11.998
547 HE2 PHE 74 HE2 PHE 74 8.591 7.357 -11.784
548 HZ PHE 74 HZ PHE 74 8.915 9.464 -13.017
549 H LYS 75 H LYS 75 8.842 10.334 -5.621
550 HA LYS 75 HA LYS 75 10.355 9.469 -3.281
551 1HB LYS 75 1HB LYS 75 7.569 10.427 -2.986
552 2HB LYS 75 2HB LYS 75 8.988 10.765 -2.004
553 1HG LYS 75 1HG LYS 75 9.757 12.136 -4.079
554 2HG LYS 75 2HG LYS 75 8.041 12.110 -4.489
555 1HD LYS 75 1HD LYS 75 8.266 12.751 -1.735
556 2HD LYS 75 2HD LYS 75 9.401 13.772 -2.621
557 1HE LYS 75 1HE LYS 75 7.482 15.037 -2.718
558 2HE LYS 75 2HE LYS 75 7.380 14.134 -4.229
559 1HZ LYS 75 1HZ LYS 75 6.149 12.539 -2.373
560 2HZ LYS 75 2HZ LYS 75 5.624 14.100 -1.985
561 3HZ LYS 75 3HZ LYS 75 5.385 13.490 -3.545
562 H VAL 76 H VAL 76 10.122 7.561 -2.480
563 HA VAL 76 HA VAL 76 7.753 5.954 -3.108
564 HB VAL 76 HB VAL 76 9.256 3.924 -2.741
565 1HG1 VAL 76 1HG1 VAL 76 8.904 5.336 -5.016
566 2HG1 VAL 76 2HG1 VAL 76 10.642 5.562 -4.823
567 3HG1 VAL 76 3HG1 VAL 76 9.970 3.935 -4.921
568 1HG2 VAL 76 1HG2 VAL 76 10.902 6.055 -1.765
569 2HG2 VAL 76 2HG2 VAL 76 11.196 4.321 -1.715
570 3HG2 VAL 76 3HG2 VAL 76 11.742 5.272 -3.097
571 H GLU 77 H GLU 77 8.774 7.759 -0.890
572 HA GLU 77 HA GLU 77 9.137 7.597 1.451
573 1HB GLU 77 1HB GLU 77 6.612 6.387 2.004
574 2HB GLU 77 2HB GLU 77 7.031 8.091 2.103
575 1HG GLU 77 1HG GLU 77 6.323 6.854 -0.519
576 2HG GLU 77 2HG GLU 77 5.061 7.327 0.617
577 H ASN 78 H ASN 78 10.277 5.555 0.131
578 HA ASN 78 HA ASN 78 10.131 3.138 0.002
579 1HB ASN 78 1HB ASN 78 12.356 4.158 0.528
580 2HB ASN 78 2HB ASN 78 12.024 3.838 2.232
581 H HIS 79 H HIS 79 7.986 3.008 0.732
582 HA HIS 79 HA HIS 79 6.941 2.924 3.148
583 1HB HIS 79 1HB HIS 79 6.409 0.953 0.948
584 2HB HIS 79 2HB HIS 79 5.348 1.226 2.337
585 HD1 HIS 79 HD1 HIS 79 3.876 1.939 -0.053
586 HD2 HIS 79 HD2 HIS 79 6.668 4.512 1.597
587 HE1 HIS 79 HE1 HIS 79 3.349 4.237 -0.971
588 H THR 80 H THR 80 7.293 2.099 4.925
589 HA THR 80 HA THR 80 8.680 -0.489 5.113
590 HB THR 80 HB THR 80 9.894 0.284 6.891
591 HG1 THR 80 HG1 THR 80 8.110 0.748 8.219
592 1HG2 THR 80 1HG2 THR 80 9.137 2.885 5.574
593 2HG2 THR 80 2HG2 THR 80 10.524 2.632 6.636
594 3HG2 THR 80 3HG2 THR 80 10.439 1.805 5.081
595 H ALA 81 H ALA 81 5.705 0.964 5.450
596 HA ALA 81 HA ALA 81 4.547 -1.330 6.658
597 1HB ALA 81 1HB ALA 81 5.513 -0.295 8.678
598 2HB ALA 81 2HB ALA 81 3.752 -0.390 8.727
599 3HB ALA 81 3HB ALA 81 4.544 1.145 8.370
600 H CYS 82 H CYS 82 3.325 -1.042 4.701
601 HA CYS 82 HA CYS 82 1.695 1.319 4.418
602 1HB CYS 82 1HB CYS 82 2.264 -1.088 2.811
603 2HB CYS 82 2HB CYS 82 0.634 -0.449 2.634
604 H HIS 83 H HIS 83 -0.301 1.638 5.189
605 HA HIS 83 HA HIS 83 -1.806 -0.703 6.151
606 1HB HIS 83 1HB HIS 83 -2.654 0.631 8.006
607 2HB HIS 83 2HB HIS 83 -0.897 0.534 8.053
608 HD1 HIS 83 HD1 HIS 83 -3.472 2.889 8.549
609 HD2 HIS 83 HD2 HIS 83 0.205 3.013 6.619
610 HE1 HIS 83 HE1 HIS 83 -2.871 5.327 8.401
611 HE2 HIS 83 HE2 HIS 83 -0.636 5.377 7.239
612 H CYS 84 H CYS 84 -3.468 -0.941 4.787
613 HA CYS 84 HA CYS 84 -4.709 1.379 3.554
614 1HB CYS 84 1HB CYS 84 -6.031 -0.235 2.268
615 2HB CYS 84 2HB CYS 84 -4.316 -0.611 2.172
616 H SER 85 H SER 85 -6.006 2.485 4.844
617 HA SER 85 HA SER 85 -8.529 1.994 5.480
618 1HB SER 85 1HB SER 85 -8.128 -0.048 6.646
619 2HB SER 85 2HB SER 85 -6.807 0.661 7.574
620 HG SER 85 HG SER 85 -8.715 0.510 8.811
621 H THR 86 H THR 86 -8.797 2.789 8.196
622 HA THR 86 HA THR 86 -9.069 4.883 9.152
623 HB THR 86 HB THR 86 -6.138 5.201 9.269
624 HG1 THR 86 HG1 THR 86 -6.277 2.946 9.126
625 1HG2 THR 86 1HG2 THR 86 -8.039 6.150 10.813
626 2HG2 THR 86 2HG2 THR 86 -7.834 4.598 11.625
627 3HG2 THR 86 3HG2 THR 86 -6.464 5.697 11.463
628 H CYS 87 H CYS 87 -9.551 5.435 6.665
629 HA CYS 87 HA CYS 87 -7.677 7.286 5.502
630 1HB CYS 87 1HB CYS 87 -9.418 5.708 4.336
631 2HB CYS 87 2HB CYS 87 -10.525 7.050 4.606
632 H TYR 88 H TYR 88 -9.156 7.747 8.183
633 HA TYR 88 HA TYR 88 -9.284 10.549 8.002
634 1HB TYR 88 1HB TYR 88 -11.686 9.192 7.232
635 2HB TYR 88 2HB TYR 88 -11.978 10.047 8.742
636 HD1 TYR 88 HD1 TYR 88 -9.751 12.202 7.880
637 HD2 TYR 88 HD2 TYR 88 -13.321 10.679 6.136
638 HE1 TYR 88 HE1 TYR 88 -10.024 14.297 6.626
639 HE2 TYR 88 HE2 TYR 88 -13.604 12.774 4.878
640 HH TYR 88 HH TYR 88 -11.485 14.784 4.153
641 H TYR 89 H TYR 89 -11.021 11.172 10.049
642 HA TYR 89 HA TYR 89 -10.030 9.552 12.302
643 1HB TYR 89 1HB TYR 89 -9.348 12.215 11.719
644 2HB TYR 89 2HB TYR 89 -10.495 12.303 13.053
645 HD1 TYR 89 HD1 TYR 89 -7.233 10.935 11.991
646 HD2 TYR 89 HD2 TYR 89 -9.891 11.600 15.246
647 HE1 TYR 89 HE1 TYR 89 -5.438 10.352 13.569
648 HE2 TYR 89 HE2 TYR 89 -8.106 11.019 16.833
649 HH TYR 89 HH TYR 89 -5.793 10.800 17.006
650 H HIS 90 H HIS 90 -11.370 9.442 14.143
651 HA HIS 90 HA HIS 90 -14.186 10.117 13.601
652 1HB HIS 90 1HB HIS 90 -14.273 8.274 15.629
653 2HB HIS 90 2HB HIS 90 -14.464 7.903 13.920
654 HD1 HIS 90 HD1 HIS 90 -12.891 6.226 13.007
655 HD2 HIS 90 HD2 HIS 90 -11.444 7.980 16.485
656 HE1 HIS 90 HE1 HIS 90 -10.765 4.997 13.545
657 HE2 HIS 90 HE2 HIS 90 -9.954 6.017 15.701
658 H LYS 91 H LYS 91 -15.333 9.949 16.017
659 HA LYS 91 HA LYS 91 -15.791 11.244 17.841
660 1HB LYS 91 1HB LYS 91 -14.184 9.882 18.954
661 2HB LYS 91 2HB LYS 91 -12.840 10.724 18.193
662 1HG LYS 91 1HG LYS 91 -12.867 11.517 20.384
663 2HG LYS 91 2HG LYS 91 -13.647 12.792 19.447
664 1HD LYS 91 1HD LYS 91 -15.200 12.649 21.084
665 2HD LYS 91 2HD LYS 91 -15.800 11.320 20.089
666 1HE LYS 91 1HE LYS 91 -15.286 9.792 21.640
667 2HE LYS 91 2HE LYS 91 -13.695 10.500 21.928
668 1HZ LYS 91 1HZ LYS 91 -14.843 12.225 23.281
669 2HZ LYS 91 2HZ LYS 91 -16.276 11.340 23.126
670 3HZ LYS 91 3HZ LYS 91 -14.946 10.663 23.924
671 H SER 92 H SER 92 -12.551 12.547 17.622
672 HA SER 92 HA SER 92 -12.270 14.928 17.983
673 1HB SER 92 1HB SER 92 -12.395 14.907 15.023
674 2HB SER 92 2HB SER 92 -11.069 15.360 16.094
675 HG SER 92 HG SER 92 -11.399 13.084 14.791
No H/Q in entry = 675
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 -15.183 15.485 -10.000
2 H2 ALA 1 H2 ALA 1 -14.965 16.705 -8.818
3 H3 ALA 1 H3 ALA 1 -14.189 16.840 -10.342
4 HA ALA 1 HA ALA 1 -12.546 15.537 -9.791
5 1HB ALA 1 3HB ALA 1 -11.896 16.507 -7.905
6 2HB ALA 1 2HB ALA 1 -13.569 16.870 -7.481
7 3HB ALA 1 1HB ALA 1 -12.850 15.334 -6.996
8 HA PRO 2 HA PRO 2 -15.019 11.580 -9.785
9 1HB PRO 2 1HB PRO 2 -12.459 10.919 -11.174
10 2HB PRO 2 2HB PRO 2 -14.112 10.434 -11.572
11 1HG PRO 2 1HG PRO 2 -12.873 12.357 -12.949
12 2HG PRO 2 2HG PRO 2 -14.605 12.456 -12.581
13 1HD PRO 2 1HD PRO 2 -12.329 13.956 -11.401
14 2HD PRO 2 2HD PRO 2 -14.020 14.448 -11.613
15 H ASP 3 H ASP 3 -14.375 9.449 -8.968
16 HA ASP 3 HA ASP 3 -12.410 9.718 -6.806
17 1HB ASP 3 1HB ASP 3 -15.002 8.415 -7.056
18 2HB ASP 3 2HB ASP 3 -13.774 7.327 -6.416
19 H VAL 4 H VAL 4 -11.512 7.387 -6.198
20 HA VAL 4 HA VAL 4 -9.888 6.615 -8.437
21 HB VAL 4 HB VAL 4 -10.039 5.422 -5.665
22 1HG1 VAL 4 1HG1 VAL 4 -9.055 4.049 -7.626
23 2HG1 VAL 4 2HG1 VAL 4 -7.706 5.181 -7.523
24 3HG1 VAL 4 3HG1 VAL 4 -8.133 4.186 -6.130
25 1HG2 VAL 4 1HG2 VAL 4 -9.349 7.890 -5.988
26 2HG2 VAL 4 2HG2 VAL 4 -8.324 6.842 -5.009
27 3HG2 VAL 4 3HG2 VAL 4 -7.868 7.221 -6.670
28 H GLN 5 H GLN 5 -9.835 4.654 -9.502
29 HA GLN 5 HA GLN 5 -12.326 3.129 -9.400
30 1HB GLN 5 1HB GLN 5 -11.005 4.085 -11.528
31 2HB GLN 5 2HB GLN 5 -10.233 2.509 -11.414
32 1HG GLN 5 1HG GLN 5 -11.932 1.787 -12.654
33 2HG GLN 5 2HG GLN 5 -12.870 1.865 -11.164
34 2HE2 GLN 5 2HE2 GLN 5 -13.052 2.570 -14.276
35 1HE2 GLN 5 1HE2 GLN 5 -14.059 3.974 -14.242
36 H ASP 6 H ASP 6 -11.588 0.691 -10.354
37 HA ASP 6 HA ASP 6 -10.231 -0.439 -8.037
38 1HB ASP 6 1HB ASP 6 -12.447 -1.253 -9.414
39 2HB ASP 6 2HB ASP 6 -11.204 -2.287 -10.113
40 H CYS 7 H CYS 7 -8.523 -1.964 -8.213
41 HA CYS 7 HA CYS 7 -7.234 -2.670 -10.596
42 1HB CYS 7 1HB CYS 7 -5.733 -1.041 -11.036
43 2HB CYS 7 2HB CYS 7 -6.818 -0.016 -10.107
44 HA PRO 8 HA PRO 8 -4.580 -5.450 -8.436
45 1HB PRO 8 1HB PRO 8 -2.404 -3.391 -8.436
46 2HB PRO 8 2HB PRO 8 -2.309 -5.120 -8.788
47 1HG PRO 8 1HG PRO 8 -2.382 -3.256 -10.740
48 2HG PRO 8 2HG PRO 8 -3.095 -4.866 -10.932
49 1HD PRO 8 1HD PRO 8 -4.421 -2.265 -10.696
50 2HD PRO 8 2HD PRO 8 -5.081 -3.815 -11.253
51 H GLU 9 H GLU 9 -4.369 -5.953 -6.318
52 HA GLU 9 HA GLU 9 -5.342 -4.370 -4.302
53 1HB GLU 9 1HB GLU 9 -4.738 -6.890 -4.317
54 2HB GLU 9 2HB GLU 9 -3.162 -6.359 -3.743
55 1HG GLU 9 1HG GLU 9 -3.945 -5.780 -1.698
56 2HG GLU 9 2HG GLU 9 -5.534 -5.325 -2.311
57 H CYS 10 H CYS 10 -4.671 -2.387 -3.841
58 HA CYS 10 HA CYS 10 -2.277 -1.182 -4.274
59 1HB CYS 10 1HB CYS 10 -3.872 0.299 -3.527
60 2HB CYS 10 2HB CYS 10 -4.420 -0.771 -2.241
61 H THR 11 H THR 11 -0.264 -1.355 -3.549
62 HA THR 11 HA THR 11 0.543 -1.771 -0.931
63 HB THR 11 HB THR 11 -0.384 -4.019 -1.121
64 HG1 THR 11 HG1 THR 11 1.474 -3.836 0.111
65 1HG2 THR 11 1HG2 THR 11 0.979 -4.013 -3.691
66 2HG2 THR 11 2HG2 THR 11 1.301 -5.452 -2.723
67 3HG2 THR 11 3HG2 THR 11 -0.359 -5.006 -3.115
68 H LEU 12 H LEU 12 2.894 -3.041 -1.130
69 HA LEU 12 HA LEU 12 4.407 -1.189 -2.720
70 1HB LEU 12 1HB LEU 12 5.167 -3.392 -0.841
71 2HB LEU 12 2HB LEU 12 6.345 -2.413 -1.700
72 HG LEU 12 HG LEU 12 5.406 -0.386 -0.632
73 1HD1 LEU 12 1HD1 LEU 12 3.534 -2.421 0.452
74 2HD1 LEU 12 2HD1 LEU 12 4.028 -1.107 1.519
75 3HD1 LEU 12 3HD1 LEU 12 3.243 -0.747 -0.018
76 1HD2 LEU 12 1HD2 LEU 12 6.531 -2.659 0.956
77 2HD2 LEU 12 2HD2 LEU 12 7.297 -1.156 0.451
78 3HD2 LEU 12 3HD2 LEU 12 6.110 -1.145 1.755
79 H GLN 13 H GLN 13 5.489 -1.523 -4.529
80 HA GLN 13 HA GLN 13 5.434 -4.240 -5.617
81 1HB GLN 13 1HB GLN 13 4.923 -1.629 -6.898
82 2HB GLN 13 2HB GLN 13 5.650 -2.914 -7.852
83 1HG GLN 13 1HG GLN 13 3.754 -4.378 -7.277
84 2HG GLN 13 2HG GLN 13 3.011 -3.035 -6.412
85 2HE2 GLN 13 2HE2 GLN 13 1.423 -3.976 -8.184
86 1HE2 GLN 13 1HE2 GLN 13 1.379 -3.049 -9.641
87 H GLU 14 H GLU 14 7.403 -3.938 -4.184
88 HA GLU 14 HA GLU 14 9.678 -3.149 -4.028
89 1HB GLU 14 1HB GLU 14 9.094 -5.725 -4.511
90 2HB GLU 14 2HB GLU 14 10.143 -5.387 -5.881
91 1HG GLU 14 1HG GLU 14 11.966 -4.874 -4.506
92 2HG GLU 14 2HG GLU 14 10.949 -4.710 -3.075
93 H ASN 15 H ASN 15 10.867 -1.719 -4.868
94 HA ASN 15 HA ASN 15 10.692 -0.396 -7.179
95 1HB ASN 15 1HB ASN 15 12.415 -0.373 -5.097
96 2HB ASN 15 2HB ASN 15 13.480 -0.843 -6.415
97 2HD2 ASN 15 2HD2 ASN 15 13.944 1.458 -5.195
98 1HD2 ASN 15 1HD2 ASN 15 13.494 2.802 -6.176
99 HA PRO 16 HA PRO 16 12.059 -3.334 -10.251
100 1HB PRO 16 1HB PRO 16 11.395 -1.913 -12.414
101 2HB PRO 16 2HB PRO 16 10.146 -2.594 -11.362
102 1HG PRO 16 1HG PRO 16 11.153 0.210 -11.544
103 2HG PRO 16 2HG PRO 16 9.501 -0.374 -11.281
104 1HD PRO 16 1HD PRO 16 11.248 0.516 -9.294
105 2HD PRO 16 2HD PRO 16 9.790 -0.458 -9.026
106 H PHE 17 H PHE 17 13.890 -1.423 -8.933
107 HA PHE 17 HA PHE 17 15.914 -1.314 -11.026
108 1HB PHE 17 1HB PHE 17 14.850 0.902 -11.091
109 2HB PHE 17 2HB PHE 17 15.127 1.085 -9.361
110 HD1 PHE 17 HD1 PHE 17 17.327 -0.154 -12.091
111 HD2 PHE 17 HD2 PHE 17 16.677 2.763 -9.062
112 HE1 PHE 17 HE1 PHE 17 19.548 0.804 -12.545
113 HE2 PHE 17 HE2 PHE 17 18.897 3.728 -9.512
114 HZ PHE 17 HZ PHE 17 20.335 2.749 -11.256
115 H PHE 18 H PHE 18 15.225 -0.309 -7.713
116 HA PHE 18 HA PHE 18 17.872 -0.730 -6.771
117 1HB PHE 18 1HB PHE 18 15.555 0.493 -5.821
118 2HB PHE 18 2HB PHE 18 15.829 -0.850 -4.718
119 HD1 PHE 18 HD1 PHE 18 18.414 -1.084 -4.020
120 HD2 PHE 18 HD2 PHE 18 16.470 2.498 -5.239
121 HE1 PHE 18 HE1 PHE 18 20.119 0.238 -2.833
122 HE2 PHE 18 HE2 PHE 18 18.170 3.828 -4.057
123 HZ PHE 18 HZ PHE 18 19.996 2.699 -2.849
124 H SER 19 H SER 19 15.071 -2.726 -7.123
125 HA SER 19 HA SER 19 15.454 -4.684 -5.230
126 1HB SER 19 1HB SER 19 13.512 -4.617 -6.744
127 2HB SER 19 2HB SER 19 14.545 -5.097 -8.089
128 HG SER 19 HG SER 19 14.287 -6.650 -5.739
129 H GLN 20 H GLN 20 17.758 -4.818 -4.972
130 HA GLN 20 HA GLN 20 19.031 -6.584 -6.959
131 1HB GLN 20 1HB GLN 20 20.419 -4.546 -5.209
132 2HB GLN 20 2HB GLN 20 21.174 -5.567 -6.425
133 1HG GLN 20 1HG GLN 20 19.032 -3.573 -7.091
134 2HG GLN 20 2HG GLN 20 20.747 -3.163 -7.061
135 2HE2 GLN 20 2HE2 GLN 20 18.518 -5.555 -8.430
136 1HE2 GLN 20 1HE2 GLN 20 19.320 -5.688 -9.955
137 HA PRO 21 HA PRO 21 19.870 -9.702 -3.985
138 1HB PRO 21 1HB PRO 21 22.768 -9.303 -4.575
139 2HB PRO 21 2HB PRO 21 21.815 -10.791 -4.583
140 1HG PRO 21 1HG PRO 21 22.508 -9.628 -6.871
141 2HG PRO 21 2HG PRO 21 20.900 -10.350 -6.672
142 1HD PRO 21 1HD PRO 21 21.704 -7.475 -6.659
143 2HD PRO 21 2HD PRO 21 20.224 -8.234 -7.283
144 H GLY 22 H GLY 22 19.248 -8.012 -2.351
145 1HA GLY 22 1HA GLY 22 21.552 -6.991 -0.838
146 2HA GLY 22 2HA GLY 22 20.371 -8.005 -0.024
147 H ALA 23 H ALA 23 19.159 -5.921 -2.471
148 HA ALA 23 HA ALA 23 17.794 -4.360 -0.429
149 1HB ALA 23 2HB ALA 23 19.403 -2.768 -0.617
150 2HB ALA 23 1HB ALA 23 19.887 -3.297 -2.229
151 3HB ALA 23 3HB ALA 23 18.444 -2.304 -2.023
152 HA PRO 24 HA PRO 24 14.811 -4.884 -3.677
153 1HB PRO 24 1HB PRO 24 13.029 -6.092 -2.096
154 2HB PRO 24 2HB PRO 24 14.502 -6.924 -2.604
155 1HG PRO 24 1HG PRO 24 13.772 -5.908 0.053
156 2HG PRO 24 2HG PRO 24 15.013 -7.088 -0.393
157 1HD PRO 24 1HD PRO 24 15.278 -4.220 0.089
158 2HD PRO 24 2HD PRO 24 16.541 -5.465 -0.040
159 H ILE 25 H ILE 25 14.981 -2.359 -3.164
160 HA ILE 25 HA ILE 25 13.335 -0.969 -1.569
161 HB ILE 25 HB ILE 25 14.049 -0.516 -4.447
162 1HG1 ILE 25 1HG1 ILE 25 15.929 -0.677 -2.974
163 2HG1 ILE 25 2HG1 ILE 25 15.663 1.037 -3.296
164 1HG2 ILE 25 1HG2 ILE 25 12.635 1.192 -2.413
165 2HG2 ILE 25 2HG2 ILE 25 13.640 1.932 -3.652
166 3HG2 ILE 25 3HG2 ILE 25 12.240 0.970 -4.118
167 1HD1 ILE 25 1HD1 ILE 25 14.221 0.979 -1.176
168 2HD1 ILE 25 2HD1 ILE 25 15.070 -0.526 -0.833
169 3HD1 ILE 25 3HD1 ILE 25 15.979 0.971 -1.016
170 H LEU 26 H LEU 26 11.434 0.450 -2.728
171 HA LEU 26 HA LEU 26 9.444 -1.355 -3.849
172 1HB LEU 26 1HB LEU 26 8.424 0.157 -1.647
173 2HB LEU 26 2HB LEU 26 8.345 -1.576 -1.949
174 HG LEU 26 HG LEU 26 10.875 -0.336 -1.033
175 1HD1 LEU 26 1HD1 LEU 26 8.604 0.043 0.423
176 2HD1 LEU 26 2HD1 LEU 26 9.218 -1.461 1.106
177 3HD1 LEU 26 3HD1 LEU 26 10.234 -0.020 1.092
178 1HD2 LEU 26 1HD2 LEU 26 10.123 -2.907 -1.690
179 2HD2 LEU 26 2HD2 LEU 26 11.564 -2.442 -0.783
180 3HD2 LEU 26 3HD2 LEU 26 10.095 -2.909 0.072
181 H GLN 27 H GLN 27 7.274 -0.001 -3.254
182 HA GLN 27 HA GLN 27 6.954 2.653 -3.487
183 1HB GLN 27 1HB GLN 27 8.350 2.991 -5.319
184 2HB GLN 27 2HB GLN 27 7.797 1.534 -6.135
185 1HG GLN 27 1HG GLN 27 6.386 2.753 -7.322
186 2HG GLN 27 2HG GLN 27 5.552 3.219 -5.842
187 2HE2 GLN 27 2HE2 GLN 27 7.623 4.698 -4.662
188 1HE2 GLN 27 1HE2 GLN 27 7.845 6.145 -5.580
189 H CYS 28 H CYS 28 5.128 1.806 -2.457
190 HA CYS 28 HA CYS 28 3.250 0.089 -2.998
191 1HB CYS 28 1HB CYS 28 3.204 2.575 -1.677
192 2HB CYS 28 2HB CYS 28 1.791 2.557 -2.720
193 H MET 29 H MET 29 2.488 -0.648 -4.903
194 HA MET 29 HA MET 29 1.467 1.344 -6.821
195 1HB MET 29 1HB MET 29 3.311 -0.945 -7.268
196 2HB MET 29 2HB MET 29 2.116 -0.615 -8.514
197 1HG MET 29 1HG MET 29 4.284 1.200 -7.505
198 2HG MET 29 2HG MET 29 4.098 0.523 -9.122
199 1HE MET 29 1HE MET 29 4.493 2.648 -10.237
200 2HE MET 29 2HE MET 29 3.066 2.057 -11.087
201 3HE MET 29 3HE MET 29 3.178 3.756 -10.628
202 H GLY 30 H GLY 30 -0.672 1.176 -6.698
203 1HA GLY 30 1HA GLY 30 -1.986 -1.321 -6.107
204 2HA GLY 30 2HA GLY 30 -2.182 -0.804 -7.775
205 H CYS 31 H CYS 31 -4.306 -1.120 -5.940
206 HA CYS 31 HA CYS 31 -5.065 1.504 -4.994
207 1HB CYS 31 1HB CYS 31 -6.978 0.320 -6.961
208 2HB CYS 31 2HB CYS 31 -6.746 2.003 -6.495
209 H CYS 32 H CYS 32 -5.555 0.776 -2.986
210 HA CYS 32 HA CYS 32 -6.667 -1.670 -2.299
211 1HB CYS 32 1HB CYS 32 -7.584 -0.234 -0.265
212 2HB CYS 32 2HB CYS 32 -5.870 -0.587 -0.439
213 H PHE 33 H PHE 33 -8.879 -1.924 -1.214
214 HA PHE 33 HA PHE 33 -11.024 -0.331 -2.274
215 1HB PHE 33 1HB PHE 33 -12.106 -2.267 -3.457
216 2HB PHE 33 2HB PHE 33 -10.662 -1.640 -4.244
217 HD1 PHE 33 HD1 PHE 33 -8.420 -2.841 -3.265
218 HD2 PHE 33 HD2 PHE 33 -12.315 -4.544 -3.473
219 HE1 PHE 33 HE1 PHE 33 -7.430 -5.093 -3.251
220 HE2 PHE 33 HE2 PHE 33 -11.333 -6.799 -3.459
221 HZ PHE 33 HZ PHE 33 -8.887 -7.077 -3.350
222 H SER 34 H SER 34 -13.143 -1.078 -1.528
223 HA SER 34 HA SER 34 -13.195 -1.655 1.176
224 1HB SER 34 1HB SER 34 -15.497 -2.424 -0.592
225 2HB SER 34 2HB SER 34 -15.523 -1.680 1.006
226 HG SER 34 HG SER 34 -14.975 -0.500 -1.495
227 H ARG 35 H ARG 35 -13.144 -3.827 -1.554
228 HA ARG 35 HA ARG 35 -12.818 -6.075 -1.700
229 1HB ARG 35 1HB ARG 35 -11.764 -5.362 0.902
230 2HB ARG 35 2HB ARG 35 -12.441 -6.987 0.915
231 1HG ARG 35 1HG ARG 35 -11.054 -7.304 -1.253
232 2HG ARG 35 2HG ARG 35 -10.158 -5.902 -0.671
233 1HD ARG 35 1HD ARG 35 -9.078 -7.938 0.068
234 2HD ARG 35 2HD ARG 35 -9.745 -7.073 1.453
235 HE ARG 35 HE ARG 35 -11.054 -8.888 1.867
236 1HH1 ARG 35 1HH1 ARG 35 -10.101 -8.955 -1.480
237 2HH1 ARG 35 2HH1 ARG 35 -10.840 -10.489 -1.795
238 1HH2 ARG 35 1HH2 ARG 35 -12.027 -10.911 1.470
239 2HH2 ARG 35 2HH2 ARG 35 -11.937 -11.602 -0.117
240 H ALA 36 H ALA 36 -14.819 -6.760 -2.297
241 HA ALA 36 HA ALA 36 -16.280 -8.417 -0.583
242 1HB ALA 36 2HB ALA 36 -17.325 -6.821 0.625
243 2HB ALA 36 1HB ALA 36 -18.409 -6.801 -0.767
244 3HB ALA 36 3HB ALA 36 -17.131 -5.593 -0.627
245 H TYR 37 H TYR 37 -15.271 -8.058 -3.373
246 HA TYR 37 HA TYR 37 -17.752 -8.846 -4.740
247 1HB TYR 37 1HB TYR 37 -16.371 -6.512 -5.282
248 2HB TYR 37 2HB TYR 37 -15.769 -7.625 -6.506
249 HD1 TYR 37 HD1 TYR 37 -17.421 -8.763 -8.031
250 HD2 TYR 37 HD2 TYR 37 -18.528 -5.558 -5.460
251 HE1 TYR 37 HE1 TYR 37 -19.445 -8.391 -9.375
252 HE2 TYR 37 HE2 TYR 37 -20.557 -5.178 -6.798
253 HH TYR 37 HH TYR 37 -21.761 -7.368 -8.977
254 HA PRO 38 HA PRO 38 -14.048 -11.788 -5.325
255 1HB PRO 38 1HB PRO 38 -14.801 -13.779 -3.649
256 2HB PRO 38 2HB PRO 38 -13.788 -12.427 -3.130
257 1HG PRO 38 1HG PRO 38 -16.729 -12.835 -2.763
258 2HG PRO 38 2HG PRO 38 -15.530 -12.228 -1.607
259 1HD PRO 38 1HD PRO 38 -17.198 -10.595 -2.993
260 2HD PRO 38 2HD PRO 38 -15.568 -10.103 -2.491
261 H THR 39 H THR 39 -14.554 -14.432 -5.486
262 HA THR 39 HA THR 39 -16.750 -14.550 -7.435
263 HB THR 39 HB THR 39 -14.727 -15.144 -8.491
264 HG1 THR 39 HG1 THR 39 -16.576 -16.767 -8.512
265 1HG2 THR 39 1HG2 THR 39 -14.126 -16.702 -6.011
266 2HG2 THR 39 2HG2 THR 39 -13.338 -17.076 -7.546
267 3HG2 THR 39 3HG2 THR 39 -13.149 -15.478 -6.824
268 HA PRO 40 HA PRO 40 -18.440 -16.983 -3.886
269 1HB PRO 40 1HB PRO 40 -21.036 -16.392 -4.494
270 2HB PRO 40 2HB PRO 40 -20.020 -15.368 -3.476
271 1HG PRO 40 1HG PRO 40 -20.686 -15.088 -6.380
272 2HG PRO 40 2HG PRO 40 -20.609 -13.838 -5.124
273 1HD PRO 40 1HD PRO 40 -18.612 -14.208 -6.894
274 2HD PRO 40 2HD PRO 40 -18.303 -13.706 -5.219
275 H LEU 41 H LEU 41 -20.877 -18.217 -4.331
276 HA LEU 41 HA LEU 41 -20.099 -20.351 -6.080
277 1HB LEU 41 1HB LEU 41 -21.867 -20.009 -3.905
278 2HB LEU 41 2HB LEU 41 -22.849 -20.521 -5.264
279 HG LEU 41 HG LEU 41 -21.807 -22.289 -3.645
280 1HD1 LEU 41 1HD1 LEU 41 -22.257 -22.313 -6.553
281 2HD1 LEU 41 2HD1 LEU 41 -21.331 -23.670 -5.908
282 3HD1 LEU 41 3HD1 LEU 41 -22.945 -23.327 -5.284
283 1HD2 LEU 41 1HD2 LEU 41 -19.475 -21.146 -4.370
284 2HD2 LEU 41 2HD2 LEU 41 -19.627 -22.821 -3.840
285 3HD2 LEU 41 3HD2 LEU 41 -19.577 -22.443 -5.562
286 H ARG 42 H ARG 42 -21.446 -17.419 -6.683
287 HA ARG 42 HA ARG 42 -21.818 -17.161 -9.177
288 1HB ARG 42 1HB ARG 42 -22.691 -19.354 -9.609
289 2HB ARG 42 2HB ARG 42 -23.976 -19.138 -8.428
290 1HG ARG 42 1HG ARG 42 -23.966 -17.139 -10.566
291 2HG ARG 42 2HG ARG 42 -24.236 -18.795 -11.113
292 1HD ARG 42 1HD ARG 42 -25.752 -17.604 -8.809
293 2HD ARG 42 2HD ARG 42 -26.290 -17.422 -10.478
294 HE ARG 42 HE ARG 42 -25.797 -20.141 -9.936
295 1HH1 ARG 42 1HH1 ARG 42 -28.048 -17.597 -9.161
296 2HH1 ARG 42 2HH1 ARG 42 -29.383 -18.676 -8.927
297 1HH2 ARG 42 1HH2 ARG 42 -27.548 -21.567 -9.637
298 2HH2 ARG 42 2HH2 ARG 42 -29.099 -20.932 -9.199
299 H SER 43 H SER 43 -24.261 -17.515 -6.619
300 HA SER 43 HA SER 43 -26.025 -15.540 -7.269
301 1HB SER 43 1HB SER 43 -24.999 -16.200 -4.499
302 2HB SER 43 2HB SER 43 -26.485 -15.318 -4.849
303 HG SER 43 HG SER 43 -26.525 -17.560 -6.258
304 H LYS 44 H LYS 44 -25.713 -13.504 -7.827
305 HA LYS 44 HA LYS 44 -23.618 -11.965 -6.441
306 1HB LYS 44 1HB LYS 44 -24.250 -10.572 -8.767
307 2HB LYS 44 2HB LYS 44 -22.811 -11.542 -8.486
308 1HG LYS 44 1HG LYS 44 -23.758 -13.427 -9.549
309 2HG LYS 44 2HG LYS 44 -25.366 -12.702 -9.556
310 1HD LYS 44 1HD LYS 44 -24.343 -10.874 -11.018
311 2HD LYS 44 2HD LYS 44 -22.968 -11.964 -11.212
312 1HE LYS 44 1HE LYS 44 -25.235 -13.532 -11.671
313 2HE LYS 44 2HE LYS 44 -25.543 -12.008 -12.506
314 1HZ LYS 44 1HZ LYS 44 -23.006 -12.506 -13.201
315 2HZ LYS 44 2HZ LYS 44 -23.616 -14.081 -13.096
316 3HZ LYS 44 3HZ LYS 44 -24.346 -12.956 -14.127
317 H LYS 45 H LYS 45 -24.083 -9.595 -6.313
318 HA LYS 45 HA LYS 45 -25.376 -7.922 -5.466
319 1HB LYS 45 1HB LYS 45 -26.915 -9.044 -7.735
320 2HB LYS 45 2HB LYS 45 -27.812 -8.012 -6.630
321 1HG LYS 45 1HG LYS 45 -27.079 -6.484 -8.165
322 2HG LYS 45 2HG LYS 45 -25.792 -6.392 -6.960
323 1HD LYS 45 1HD LYS 45 -24.464 -6.656 -8.770
324 2HD LYS 45 2HD LYS 45 -24.831 -8.364 -8.519
325 1HE LYS 45 1HE LYS 45 -26.845 -6.974 -10.102
326 2HE LYS 45 2HE LYS 45 -25.245 -6.943 -10.840
327 1HZ LYS 45 1HZ LYS 45 -25.408 -9.495 -10.105
328 2HZ LYS 45 2HZ LYS 45 -27.043 -9.179 -10.401
329 3HZ LYS 45 3HZ LYS 45 -25.898 -8.931 -11.622
330 H THR 46 H THR 46 -25.249 -9.999 -3.768
331 HA THR 46 HA THR 46 -27.630 -9.706 -2.234
332 HB THR 46 HB THR 46 -27.055 -12.507 -3.206
333 HG1 THR 46 HG1 THR 46 -29.395 -11.311 -4.002
334 1HG2 THR 46 1HG2 THR 46 -29.334 -11.321 -1.647
335 2HG2 THR 46 2HG2 THR 46 -29.370 -12.922 -2.387
336 3HG2 THR 46 3HG2 THR 46 -28.194 -12.562 -1.122
337 H MET 47 H MET 47 -27.219 -10.032 -0.115
338 HA MET 47 HA MET 47 -25.741 -11.808 1.221
339 1HB MET 47 1HB MET 47 -23.959 -10.140 -0.362
340 2HB MET 47 2HB MET 47 -23.567 -10.081 1.351
341 1HG MET 47 1HG MET 47 -23.403 -12.504 1.416
342 2HG MET 47 2HG MET 47 -23.839 -12.589 -0.289
343 1HE MET 47 1HE MET 47 -22.090 -13.283 -1.805
344 2HE MET 47 2HE MET 47 -20.374 -13.295 -1.395
345 3HE MET 47 3HE MET 47 -21.526 -14.170 -0.387
346 H LEU 48 H LEU 48 -27.756 -10.574 2.118
347 HA LEU 48 HA LEU 48 -28.657 -9.295 3.769
348 1HB LEU 48 1HB LEU 48 -26.948 -10.580 5.052
349 2HB LEU 48 2HB LEU 48 -25.835 -9.242 4.834
350 HG LEU 48 HG LEU 48 -27.904 -7.922 5.940
351 1HD1 LEU 48 1HD1 LEU 48 -28.420 -10.724 6.425
352 2HD1 LEU 48 2HD1 LEU 48 -28.226 -9.822 7.928
353 3HD1 LEU 48 3HD1 LEU 48 -29.433 -9.316 6.745
354 1HD2 LEU 48 1HD2 LEU 48 -25.539 -7.931 6.654
355 2HD2 LEU 48 2HD2 LEU 48 -26.667 -7.979 8.008
356 3HD2 LEU 48 3HD2 LEU 48 -25.830 -9.447 7.505
357 H VAL 49 H VAL 49 -28.867 -7.139 4.590
358 HA VAL 49 HA VAL 49 -27.897 -5.163 2.737
359 HB VAL 49 HB VAL 49 -29.239 -4.191 5.166
360 1HG1 VAL 49 1HG1 VAL 49 -28.855 -3.373 2.531
361 2HG1 VAL 49 2HG1 VAL 49 -30.576 -3.743 2.648
362 3HG1 VAL 49 3HG1 VAL 49 -29.847 -2.581 3.757
363 1HG2 VAL 49 1HG2 VAL 49 -30.400 -6.386 3.527
364 2HG2 VAL 49 2HG2 VAL 49 -30.582 -6.040 5.247
365 3HG2 VAL 49 3HG2 VAL 49 -31.465 -5.084 4.059
366 H GLN 50 H GLN 50 -27.663 -2.922 4.399
367 HA GLN 50 HA GLN 50 -26.039 -1.715 5.445
368 1HB GLN 50 1HB GLN 50 -26.039 -4.239 7.096
369 2HB GLN 50 2HB GLN 50 -25.075 -2.831 7.519
370 1HG GLN 50 1HG GLN 50 -27.572 -1.763 7.133
371 2HG GLN 50 2HG GLN 50 -27.919 -3.329 7.867
372 2HE2 GLN 50 2HE2 GLN 50 -28.651 -1.297 9.329
373 1HE2 GLN 50 1HE2 GLN 50 -27.564 -0.997 10.637
374 H LYS 51 H LYS 51 -25.147 -2.955 3.117
375 HA LYS 51 HA LYS 51 -22.381 -3.673 3.836
376 1HB LYS 51 1HB LYS 51 -24.132 -5.260 2.479
377 2HB LYS 51 2HB LYS 51 -23.322 -4.438 1.152
378 1HG LYS 51 1HG LYS 51 -22.329 -6.638 1.864
379 2HG LYS 51 2HG LYS 51 -21.211 -5.274 1.789
380 1HD LYS 51 1HD LYS 51 -21.191 -5.041 4.146
381 2HD LYS 51 2HD LYS 51 -22.579 -6.114 4.334
382 1HE LYS 51 1HE LYS 51 -20.376 -7.390 2.938
383 2HE LYS 51 2HE LYS 51 -19.908 -6.816 4.539
384 1HZ LYS 51 1HZ LYS 51 -22.258 -8.543 3.979
385 2HZ LYS 51 2HZ LYS 51 -20.771 -9.095 4.565
386 3HZ LYS 51 3HZ LYS 51 -21.715 -8.052 5.504
387 H ASN 52 H ASN 52 -22.843 -1.053 3.732
388 HA ASN 52 HA ASN 52 -21.315 -0.244 1.407
389 1HB ASN 52 1HB ASN 52 -23.836 -0.075 0.874
390 2HB ASN 52 2HB ASN 52 -23.840 1.284 1.995
391 2HD2 ASN 52 2HD2 ASN 52 -24.593 1.830 -0.477
392 1HD2 ASN 52 1HD2 ASN 52 -23.366 2.683 -1.344
393 H VAL 53 H VAL 53 -20.328 -0.336 3.895
394 HA VAL 53 HA VAL 53 -20.574 1.523 5.785
395 HB VAL 53 HB VAL 53 -17.820 1.721 5.116
396 1HG1 VAL 53 1HG1 VAL 53 -19.001 1.522 7.354
397 2HG1 VAL 53 2HG1 VAL 53 -19.043 -0.216 7.058
398 3HG1 VAL 53 3HG1 VAL 53 -17.495 0.623 7.168
399 1HG2 VAL 53 1HG2 VAL 53 -18.292 -0.119 3.511
400 2HG2 VAL 53 2HG2 VAL 53 -17.158 -0.564 4.786
401 3HG2 VAL 53 3HG2 VAL 53 -18.834 -1.108 4.866
402 H THR 54 H THR 54 -20.026 3.686 6.176
403 HA THR 54 HA THR 54 -19.073 5.305 3.959
404 HB THR 54 HB THR 54 -21.678 6.021 5.296
405 HG1 THR 54 HG1 THR 54 -22.394 5.393 3.011
406 1HG2 THR 54 1HG2 THR 54 -20.131 7.129 3.003
407 2HG2 THR 54 2HG2 THR 54 -21.888 7.278 3.042
408 3HG2 THR 54 3HG2 THR 54 -20.916 7.967 4.342
409 H SER 55 H SER 55 -17.816 6.913 4.634
410 HA SER 55 HA SER 55 -18.163 8.521 6.862
411 1HB SER 55 1HB SER 55 -17.722 6.316 8.055
412 2HB SER 55 2HB SER 55 -16.074 6.415 7.433
413 HG SER 55 HG SER 55 -16.592 7.346 9.616
414 H GLU 56 H GLU 56 -15.870 6.908 4.747
415 HA GLU 56 HA GLU 56 -14.840 9.154 3.558
416 1HB GLU 56 1HB GLU 56 -12.652 9.455 4.677
417 2HB GLU 56 2HB GLU 56 -14.006 9.883 5.713
418 1HG GLU 56 1HG GLU 56 -13.338 7.122 6.079
419 2HG GLU 56 2HG GLU 56 -11.900 8.125 6.269
420 H SER 57 H SER 57 -13.932 8.411 1.756
421 HA SER 57 HA SER 57 -13.453 5.712 1.257
422 1HB SER 57 1HB SER 57 -11.845 7.524 -0.396
423 2HB SER 57 2HB SER 57 -13.112 6.392 -0.869
424 HG SER 57 HG SER 57 -14.476 7.982 -0.903
425 H THR 58 H THR 58 -11.243 4.926 0.370
426 HA THR 58 HA THR 58 -9.206 5.566 2.401
427 HB THR 58 HB THR 58 -8.680 3.079 1.076
428 HG1 THR 58 HG1 THR 58 -10.595 2.001 1.896
429 1HG2 THR 58 1HG2 THR 58 -9.160 4.009 3.840
430 2HG2 THR 58 2HG2 THR 58 -9.354 2.287 3.510
431 3HG2 THR 58 3HG2 THR 58 -7.818 3.085 3.166
432 H CYS 59 H CYS 59 -6.959 5.391 1.743
433 HA CYS 59 HA CYS 59 -6.257 5.305 -1.021
434 1HB CYS 59 1HB CYS 59 -5.909 7.501 -1.535
435 2HB CYS 59 2HB CYS 59 -7.241 7.704 -0.404
436 H CYS 60 H CYS 60 -4.327 4.433 -1.120
437 HA CYS 60 HA CYS 60 -2.764 3.785 1.076
438 1HB CYS 60 1HB CYS 60 -1.423 4.111 -1.567
439 2HB CYS 60 2HB CYS 60 -1.305 2.797 -0.402
440 H VAL 61 H VAL 61 -0.237 4.334 0.876
441 HA VAL 61 HA VAL 61 1.032 6.529 0.245
442 HB VAL 61 HB VAL 61 -0.845 7.968 0.906
443 1HG1 VAL 61 1HG1 VAL 61 -0.819 6.320 3.243
444 2HG1 VAL 61 2HG1 VAL 61 -0.617 8.008 3.713
445 3HG1 VAL 61 3HG1 VAL 61 -2.008 7.524 2.744
446 1HG2 VAL 61 1HG2 VAL 61 1.629 8.300 2.599
447 2HG2 VAL 61 2HG2 VAL 61 1.383 8.902 0.959
448 3HG2 VAL 61 3HG2 VAL 61 0.433 9.560 2.291
449 H ALA 62 H ALA 62 2.094 4.367 0.953
450 HA ALA 62 HA ALA 62 3.001 3.070 2.757
451 1HB ALA 62 1HB ALA 62 4.612 5.126 1.494
452 2HB ALA 62 3HB ALA 62 4.957 3.420 1.777
453 3HB ALA 62 2HB ALA 62 5.256 4.602 3.052
454 H LYS 63 H LYS 63 2.380 2.885 4.779
455 HA LYS 63 HA LYS 63 1.780 4.928 6.580
456 1HB LYS 63 1HB LYS 63 1.164 2.462 6.725
457 2HB LYS 63 2HB LYS 63 2.797 2.180 7.307
458 1HG LYS 63 1HG LYS 63 2.126 4.071 9.025
459 2HG LYS 63 2HG LYS 63 0.505 3.481 8.656
460 1HD LYS 63 1HD LYS 63 2.379 1.312 9.102
461 2HD LYS 63 2HD LYS 63 2.285 2.398 10.491
462 1HE LYS 63 1HE LYS 63 -0.188 2.167 10.431
463 2HE LYS 63 2HE LYS 63 -0.009 0.977 9.142
464 1HZ LYS 63 1HZ LYS 63 1.427 -0.299 10.739
465 2HZ LYS 63 2HZ LYS 63 0.906 0.757 11.952
466 3HZ LYS 63 3HZ LYS 63 -0.213 -0.221 11.145
467 H SER 64 H SER 64 4.670 3.042 6.005
468 HA SER 64 HA SER 64 6.272 5.114 7.263
469 1HB SER 64 1HB SER 64 6.668 2.176 7.889
470 2HB SER 64 2HB SER 64 7.601 3.525 8.540
471 HG SER 64 HG SER 64 5.918 4.108 9.781
472 H TYR 65 H TYR 65 7.973 5.610 6.019
473 HA TYR 65 HA TYR 65 8.618 3.747 3.830
474 1HB TYR 65 1HB TYR 65 9.562 5.945 2.810
475 2HB TYR 65 2HB TYR 65 7.826 5.646 2.786
476 HD1 TYR 65 HD1 TYR 65 10.517 7.516 4.483
477 HD2 TYR 65 HD2 TYR 65 6.316 7.074 3.972
478 HE1 TYR 65 HE1 TYR 65 10.155 9.638 5.673
479 HE2 TYR 65 HE2 TYR 65 5.942 9.196 5.159
480 HH TYR 65 HH TYR 65 8.092 10.633 7.072
481 H ASN 66 H ASN 66 10.761 3.692 3.021
482 HA ASN 66 HA ASN 66 12.777 4.627 4.970
483 1HB ASN 66 1HB ASN 66 12.249 1.908 4.221
484 2HB ASN 66 2HB ASN 66 13.850 2.364 3.650
485 2HD2 ASN 66 2HD2 ASN 66 15.482 2.389 5.055
486 1HD2 ASN 66 1HD2 ASN 66 15.327 2.208 6.766
487 H ARG 67 H ARG 67 11.624 5.680 2.684
488 HA ARG 67 HA ARG 67 12.327 5.925 0.295
489 1HB ARG 67 1HB ARG 67 13.240 8.324 0.658
490 2HB ARG 67 2HB ARG 67 11.599 7.942 1.165
491 1HG ARG 67 1HG ARG 67 12.143 7.909 3.389
492 2HG ARG 67 2HG ARG 67 13.859 7.649 3.068
493 1HD ARG 67 1HD ARG 67 13.614 9.902 3.821
494 2HD ARG 67 2HD ARG 67 13.936 9.954 2.088
495 HE ARG 67 HE ARG 67 11.142 10.016 2.879
496 1HH1 ARG 67 1HH1 ARG 67 13.973 11.809 1.916
497 2HH1 ARG 67 2HH1 ARG 67 13.079 13.215 1.447
498 1HH2 ARG 67 1HH2 ARG 67 9.963 11.866 2.264
499 2HH2 ARG 67 2HH2 ARG 67 10.803 13.250 1.645
500 H VAL 68 H VAL 68 13.843 4.853 -0.669
501 HA VAL 68 HA VAL 68 16.651 5.236 0.084
502 HB VAL 68 HB VAL 68 17.171 3.202 -1.001
503 1HG1 VAL 68 1HG1 VAL 68 15.401 3.260 1.076
504 2HG1 VAL 68 2HG1 VAL 68 14.577 2.214 -0.077
505 3HG1 VAL 68 3HG1 VAL 68 16.204 1.812 0.470
506 1HG2 VAL 68 1HG2 VAL 68 15.161 3.911 -2.797
507 2HG2 VAL 68 2HG2 VAL 68 16.161 2.466 -2.849
508 3HG2 VAL 68 3HG2 VAL 68 14.588 2.420 -2.060
509 H THR 69 H THR 69 15.520 7.346 -1.152
510 HA THR 69 HA THR 69 15.185 7.934 -3.602
511 HB THR 69 HB THR 69 17.517 9.073 -2.078
512 HG1 THR 69 HG1 THR 69 15.119 9.320 -1.518
513 1HG2 THR 69 1HG2 THR 69 16.289 10.009 -4.654
514 2HG2 THR 69 2HG2 THR 69 17.294 11.021 -3.617
515 3HG2 THR 69 3HG2 THR 69 17.971 9.572 -4.360
516 H VAL 70 H VAL 70 15.669 7.179 -5.484
517 HA VAL 70 HA VAL 70 18.354 6.064 -5.947
518 HB VAL 70 HB VAL 70 16.534 5.272 -7.985
519 1HG1 VAL 70 1HG1 VAL 70 18.291 3.972 -5.966
520 2HG1 VAL 70 2HG1 VAL 70 17.126 2.977 -6.840
521 3HG1 VAL 70 3HG1 VAL 70 18.343 3.897 -7.725
522 1HG2 VAL 70 1HG2 VAL 70 14.948 5.691 -5.944
523 2HG2 VAL 70 2HG2 VAL 70 14.781 4.223 -6.903
524 3HG2 VAL 70 3HG2 VAL 70 15.625 4.173 -5.355
525 H MET 71 H MET 71 18.150 5.756 -8.626
526 HA MET 71 HA MET 71 19.368 7.743 -9.773
527 1HB MET 71 1HB MET 71 17.257 5.970 -10.865
528 2HB MET 71 2HB MET 71 17.838 7.286 -11.879
529 1HG MET 71 1HG MET 71 20.167 6.438 -11.420
530 2HG MET 71 2HG MET 71 19.407 5.005 -10.731
531 1HE MET 71 1HE MET 71 21.375 5.896 -13.291
532 2HE MET 71 2HE MET 71 20.735 5.363 -14.845
533 3HE MET 71 3HE MET 71 20.235 6.914 -14.171
534 H GLY 72 H GLY 72 18.952 9.646 -10.962
535 1HA GLY 72 1HA GLY 72 16.607 10.930 -11.445
536 2HA GLY 72 2HA GLY 72 18.087 11.781 -11.019
537 H GLY 73 H GLY 73 18.046 10.363 -8.353
538 1HA GLY 73 1HA GLY 73 16.620 12.397 -6.936
539 2HA GLY 73 2HA GLY 73 17.476 11.035 -6.227
540 H PHE 74 H PHE 74 15.946 9.106 -7.870
541 HA PHE 74 HA PHE 74 13.241 9.201 -7.666
542 1HB PHE 74 1HB PHE 74 15.181 6.938 -7.347
543 2HB PHE 74 2HB PHE 74 13.461 6.648 -7.102
544 HD1 PHE 74 HD1 PHE 74 12.006 7.895 -9.074
545 HD2 PHE 74 HD2 PHE 74 15.957 6.347 -9.410
546 HE1 PHE 74 HE1 PHE 74 11.705 7.662 -11.505
547 HE2 PHE 74 HE2 PHE 74 15.663 6.116 -11.841
548 HZ PHE 74 HZ PHE 74 13.536 6.771 -12.892
549 H LYS 75 H LYS 75 11.840 7.911 -6.059
550 HA LYS 75 HA LYS 75 12.765 8.005 -3.315
551 1HB LYS 75 1HB LYS 75 10.361 9.662 -4.089
552 2HB LYS 75 2HB LYS 75 11.136 9.568 -2.514
553 1HG LYS 75 1HG LYS 75 13.215 10.436 -3.929
554 2HG LYS 75 2HG LYS 75 11.918 11.089 -4.929
555 1HD LYS 75 1HD LYS 75 12.421 11.599 -2.001
556 2HD LYS 75 2HD LYS 75 12.530 12.757 -3.328
557 1HE LYS 75 1HE LYS 75 10.107 12.470 -3.728
558 2HE LYS 75 2HE LYS 75 10.031 11.394 -2.333
559 1HZ LYS 75 1HZ LYS 75 10.983 14.199 -2.174
560 2HZ LYS 75 2HZ LYS 75 9.379 13.745 -1.890
561 3HZ LYS 75 3HZ LYS 75 10.611 13.163 -0.888
562 H VAL 76 H VAL 76 12.321 5.836 -3.177
563 HA VAL 76 HA VAL 76 9.626 4.876 -3.711
564 HB VAL 76 HB VAL 76 10.591 2.593 -3.035
565 1HG1 VAL 76 1HG1 VAL 76 10.741 3.839 -5.423
566 2HG1 VAL 76 2HG1 VAL 76 12.466 3.712 -5.080
567 3HG1 VAL 76 3HG1 VAL 76 11.469 2.260 -5.128
568 1HG2 VAL 76 1HG2 VAL 76 12.592 4.404 -2.052
569 2HG2 VAL 76 2HG2 VAL 76 12.484 2.658 -1.848
570 3HG2 VAL 76 3HG2 VAL 76 13.342 3.336 -3.233
571 H GLU 77 H GLU 77 10.659 6.636 -1.515
572 HA GLU 77 HA GLU 77 10.728 6.593 0.862
573 1HB GLU 77 1HB GLU 77 7.986 5.978 1.193
574 2HB GLU 77 2HB GLU 77 8.712 7.578 1.118
575 1HG GLU 77 1HG GLU 77 8.128 6.160 -1.428
576 2HG GLU 77 2HG GLU 77 6.785 6.847 -0.516
577 H ASN 78 H ASN 78 11.677 4.256 -0.074
578 HA ASN 78 HA ASN 78 11.161 1.884 -0.045
579 1HB ASN 78 1HB ASN 78 13.273 2.288 1.078
580 2HB ASN 78 2HB ASN 78 12.422 2.721 2.558
581 H HIS 79 H HIS 79 8.825 2.045 0.080
582 HA HIS 79 HA HIS 79 7.431 2.521 2.339
583 1HB HIS 79 1HB HIS 79 6.732 0.573 0.153
584 2HB HIS 79 2HB HIS 79 5.598 1.140 1.387
585 HD1 HIS 79 HD1 HIS 79 4.502 2.056 -1.054
586 HD2 HIS 79 HD2 HIS 79 7.770 3.985 0.591
587 HE1 HIS 79 HE1 HIS 79 4.605 4.328 -2.163
588 H THR 80 H THR 80 8.020 1.877 4.157
589 HA THR 80 HA THR 80 8.639 -0.925 4.637
590 HB THR 80 HB THR 80 9.674 -0.220 6.609
591 HG1 THR 80 HG1 THR 80 7.715 1.714 6.573
592 1HG2 THR 80 1HG2 THR 80 10.669 0.795 4.496
593 2HG2 THR 80 2HG2 THR 80 9.926 2.309 5.006
594 3HG2 THR 80 3HG2 THR 80 11.130 1.527 6.029
595 H ALA 81 H ALA 81 5.944 0.964 4.493
596 HA ALA 81 HA ALA 81 4.234 -0.965 5.602
597 1HB ALA 81 1HB ALA 81 5.014 -0.139 7.753
598 2HB ALA 81 2HB ALA 81 4.629 1.515 7.283
599 3HB ALA 81 3HB ALA 81 3.335 0.337 7.500
600 H CYS 82 H CYS 82 2.367 -0.724 4.454
601 HA CYS 82 HA CYS 82 1.762 1.973 3.434
602 1HB CYS 82 1HB CYS 82 2.140 -0.507 1.994
603 2HB CYS 82 2HB CYS 82 0.547 0.177 1.679
604 H HIS 83 H HIS 83 -0.155 2.785 3.910
605 HA HIS 83 HA HIS 83 -2.383 0.995 4.539
606 1HB HIS 83 1HB HIS 83 -2.913 2.104 6.590
607 2HB HIS 83 2HB HIS 83 -1.210 1.667 6.670
608 HD1 HIS 83 HD1 HIS 83 -2.753 4.074 8.191
609 HD2 HIS 83 HD2 HIS 83 -0.167 4.370 4.952
610 HE1 HIS 83 HE1 HIS 83 -1.860 6.421 8.258
611 HE2 HIS 83 HE2 HIS 83 -0.389 6.613 6.222
612 H CYS 84 H CYS 84 -4.342 1.742 3.866
613 HA CYS 84 HA CYS 84 -4.327 4.217 2.329
614 1HB CYS 84 1HB CYS 84 -6.380 2.008 2.535
615 2HB CYS 84 2HB CYS 84 -6.547 3.431 1.512
616 H SER 85 H SER 85 -5.494 6.008 2.811
617 HA SER 85 HA SER 85 -7.481 5.935 4.932
618 1HB SER 85 1HB SER 85 -6.432 7.390 6.411
619 2HB SER 85 2HB SER 85 -5.076 6.409 5.858
620 HG SER 85 HG SER 85 -5.010 8.224 4.152
621 H THR 86 H THR 86 -7.342 8.867 5.224
622 HA THR 86 HA THR 86 -8.833 9.525 2.811
623 HB THR 86 HB THR 86 -8.443 11.296 5.219
624 HG1 THR 86 HG1 THR 86 -9.310 9.098 5.662
625 1HG2 THR 86 1HG2 THR 86 -9.496 12.245 3.151
626 2HG2 THR 86 2HG2 THR 86 -10.813 11.096 3.386
627 3HG2 THR 86 3HG2 THR 86 -10.482 12.321 4.610
628 H CYS 87 H CYS 87 -5.848 9.316 2.923
629 HA CYS 87 HA CYS 87 -4.032 10.359 2.050
630 1HB CYS 87 1HB CYS 87 -6.280 11.864 0.743
631 2HB CYS 87 2HB CYS 87 -4.603 12.312 0.443
632 H TYR 88 H TYR 88 -3.377 11.026 4.159
633 HA TYR 88 HA TYR 88 -3.081 12.548 5.900
634 1HB TYR 88 1HB TYR 88 -1.707 13.226 3.426
635 2HB TYR 88 2HB TYR 88 -1.901 14.623 4.479
636 HD1 TYR 88 HD1 TYR 88 -1.363 11.059 5.414
637 HD2 TYR 88 HD2 TYR 88 0.242 14.997 5.315
638 HE1 TYR 88 HE1 TYR 88 0.556 10.301 6.753
639 HE2 TYR 88 HE2 TYR 88 2.166 14.252 6.656
640 HH TYR 88 HH TYR 88 3.279 12.430 7.423
641 H TYR 89 H TYR 89 -4.973 13.338 6.718
642 HA TYR 89 HA TYR 89 -6.791 15.031 5.511
643 1HB TYR 89 1HB TYR 89 -6.115 15.203 8.443
644 2HB TYR 89 2HB TYR 89 -7.679 15.440 7.669
645 HD1 TYR 89 HD1 TYR 89 -8.889 13.454 6.727
646 HD2 TYR 89 HD2 TYR 89 -5.399 13.055 9.126
647 HE1 TYR 89 HE1 TYR 89 -9.443 11.094 7.130
648 HE2 TYR 89 HE2 TYR 89 -5.942 10.693 9.536
649 HH TYR 89 HH TYR 89 -8.809 9.189 8.070
650 H HIS 90 H HIS 90 -4.199 16.006 7.765
651 HA HIS 90 HA HIS 90 -3.328 18.088 8.204
652 1HB HIS 90 1HB HIS 90 -2.962 17.485 5.315
653 2HB HIS 90 2HB HIS 90 -2.548 19.108 5.853
654 HD1 HIS 90 HD1 HIS 90 -1.881 16.764 8.514
655 HD2 HIS 90 HD2 HIS 90 0.124 18.049 5.108
656 HE1 HIS 90 HE1 HIS 90 0.523 16.117 8.865
657 HE2 HIS 90 HE2 HIS 90 1.698 16.817 6.750
658 H LYS 91 H LYS 91 -3.253 20.459 6.807
659 HA LYS 91 HA LYS 91 -6.087 21.264 6.803
660 1HB LYS 91 1HB LYS 91 -4.990 22.299 8.652
661 2HB LYS 91 2HB LYS 91 -3.610 22.756 7.662
662 1HG LYS 91 1HG LYS 91 -4.622 24.599 6.859
663 2HG LYS 91 2HG LYS 91 -6.209 23.829 6.793
664 1HD LYS 91 1HD LYS 91 -6.678 24.310 9.009
665 2HD LYS 91 2HD LYS 91 -4.975 24.474 9.440
666 1HE LYS 91 1HE LYS 91 -6.495 26.393 7.678
667 2HE LYS 91 2HE LYS 91 -6.199 26.632 9.399
668 1HZ LYS 91 1HZ LYS 91 -3.851 26.077 7.788
669 2HZ LYS 91 2HZ LYS 91 -4.604 27.560 7.480
670 3HZ LYS 91 3HZ LYS 91 -4.066 27.191 9.041
671 H SER 92 H SER 92 -5.522 20.373 4.451
672 HA SER 92 HA SER 92 -5.352 22.747 2.796
673 1HB SER 92 1HB SER 92 -3.713 21.367 1.261
674 2HB SER 92 2HB SER 92 -3.086 22.332 2.597
675 HG SER 92 HG SER 92 -2.531 19.903 2.266
No H/Q in entry = 675
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 -8.712 -22.256 -13.719
2 H2 ALA 1 H2 ALA 1 -8.328 -23.927 -13.657
3 H3 ALA 1 H3 ALA 1 -9.955 -23.425 -13.873
4 HA ALA 1 HA ALA 1 -10.293 -23.173 -11.761
5 1HB ALA 1 3HB ALA 1 -7.731 -24.711 -11.837
6 2HB ALA 1 2HB ALA 1 -8.473 -24.290 -10.293
7 3HB ALA 1 1HB ALA 1 -9.363 -25.265 -11.462
8 HA PRO 2 HA PRO 2 -6.614 -20.555 -9.989
9 1HB PRO 2 1HB PRO 2 -4.713 -19.805 -11.807
10 2HB PRO 2 2HB PRO 2 -4.568 -21.222 -10.763
11 1HG PRO 2 1HG PRO 2 -5.399 -21.055 -13.628
12 2HG PRO 2 2HG PRO 2 -4.362 -22.251 -12.828
13 1HD PRO 2 1HD PRO 2 -6.950 -22.742 -13.431
14 2HD PRO 2 2HD PRO 2 -6.157 -23.443 -12.007
15 H ASP 3 H ASP 3 -5.602 -18.242 -10.785
16 HA ASP 3 HA ASP 3 -7.889 -16.886 -12.026
17 1HB ASP 3 1HB ASP 3 -7.434 -15.032 -10.725
18 2HB ASP 3 2HB ASP 3 -6.871 -16.319 -9.660
19 H VAL 4 H VAL 4 -7.595 -15.329 -13.641
20 HA VAL 4 HA VAL 4 -4.931 -15.137 -14.843
21 HB VAL 4 HB VAL 4 -7.199 -15.418 -16.736
22 1HG1 VAL 4 1HG1 VAL 4 -4.290 -15.623 -16.716
23 2HG1 VAL 4 2HG1 VAL 4 -5.075 -16.921 -17.613
24 3HG1 VAL 4 3HG1 VAL 4 -5.390 -15.239 -18.040
25 1HG2 VAL 4 1HG2 VAL 4 -6.255 -17.585 -14.946
26 2HG2 VAL 4 2HG2 VAL 4 -7.838 -17.332 -15.683
27 3HG2 VAL 4 3HG2 VAL 4 -6.511 -17.989 -16.644
28 H GLN 5 H GLN 5 -6.949 -13.414 -13.343
29 HA GLN 5 HA GLN 5 -6.550 -11.053 -14.960
30 1HB GLN 5 1HB GLN 5 -9.109 -12.410 -14.878
31 2HB GLN 5 2HB GLN 5 -9.236 -10.780 -14.231
32 1HG GLN 5 1HG GLN 5 -8.407 -9.832 -16.249
33 2HG GLN 5 2HG GLN 5 -7.986 -11.420 -16.886
34 2HE2 GLN 5 2HE2 GLN 5 -10.882 -11.480 -15.175
35 1HE2 GLN 5 1HE2 GLN 5 -11.968 -11.396 -16.515
36 H ASP 6 H ASP 6 -8.243 -9.328 -13.603
37 HA ASP 6 HA ASP 6 -8.496 -8.147 -11.668
38 1HB ASP 6 1HB ASP 6 -8.212 -10.889 -10.740
39 2HB ASP 6 2HB ASP 6 -7.541 -9.738 -9.590
40 H CYS 7 H CYS 7 -7.221 -6.645 -10.719
41 HA CYS 7 HA CYS 7 -4.635 -6.230 -11.466
42 1HB CYS 7 1HB CYS 7 -6.367 -5.209 -9.332
43 2HB CYS 7 2HB CYS 7 -4.650 -5.098 -8.957
44 HA PRO 8 HA PRO 8 -2.096 -8.931 -9.080
45 1HB PRO 8 1HB PRO 8 0.201 -7.563 -8.929
46 2HB PRO 8 2HB PRO 8 -0.431 -8.133 -10.478
47 1HG PRO 8 1HG PRO 8 -0.529 -5.397 -9.281
48 2HG PRO 8 2HG PRO 8 -0.238 -5.877 -10.963
49 1HD PRO 8 1HD PRO 8 -2.664 -4.994 -9.962
50 2HD PRO 8 2HD PRO 8 -2.466 -5.966 -11.433
51 H GLU 9 H GLU 9 -3.753 -6.825 -7.543
52 HA GLU 9 HA GLU 9 -4.098 -6.377 -5.333
53 1HB GLU 9 1HB GLU 9 -2.981 -8.704 -5.118
54 2HB GLU 9 2HB GLU 9 -1.549 -7.808 -4.634
55 1HG GLU 9 1HG GLU 9 -2.473 -7.126 -2.654
56 2HG GLU 9 2HG GLU 9 -4.125 -7.241 -3.260
57 H CYS 10 H CYS 10 -3.474 -4.818 -3.814
58 HA CYS 10 HA CYS 10 -1.466 -2.967 -4.781
59 1HB CYS 10 1HB CYS 10 -3.844 -2.445 -3.793
60 2HB CYS 10 2HB CYS 10 -3.014 -2.564 -2.245
61 H THR 11 H THR 11 0.527 -2.700 -3.954
62 HA THR 11 HA THR 11 1.244 -3.075 -1.277
63 HB THR 11 HB THR 11 0.934 -5.433 -1.605
64 HG1 THR 11 HG1 THR 11 2.716 -5.041 -0.383
65 1HG2 THR 11 1HG2 THR 11 1.340 -5.228 -4.166
66 2HG2 THR 11 2HG2 THR 11 3.015 -5.556 -3.723
67 3HG2 THR 11 3HG2 THR 11 1.751 -6.717 -3.315
68 H LEU 12 H LEU 12 3.808 -3.736 -1.346
69 HA LEU 12 HA LEU 12 5.010 -1.467 -2.587
70 1HB LEU 12 1HB LEU 12 6.047 -3.724 -0.934
71 2HB LEU 12 2HB LEU 12 7.108 -2.502 -1.619
72 HG LEU 12 HG LEU 12 5.735 -0.758 -0.450
73 1HD1 LEU 12 1HD1 LEU 12 4.314 -3.213 0.411
74 2HD1 LEU 12 2HD1 LEU 12 4.544 -1.947 1.616
75 3HD1 LEU 12 3HD1 LEU 12 3.698 -1.588 0.112
76 1HD2 LEU 12 1HD2 LEU 12 7.340 -2.857 0.937
77 2HD2 LEU 12 2HD2 LEU 12 7.732 -1.170 0.607
78 3HD2 LEU 12 3HD2 LEU 12 6.584 -1.574 1.881
79 H GLN 13 H GLN 13 5.926 -1.286 -4.451
80 HA GLN 13 HA GLN 13 6.480 -3.729 -5.952
81 1HB GLN 13 1HB GLN 13 6.108 -0.921 -6.919
82 2HB GLN 13 2HB GLN 13 6.448 -2.312 -7.942
83 1HG GLN 13 1HG GLN 13 4.254 -3.058 -6.415
84 2HG GLN 13 2HG GLN 13 3.944 -1.386 -6.874
85 2HE2 GLN 13 2HE2 GLN 13 4.641 -4.599 -8.085
86 1HE2 GLN 13 1HE2 GLN 13 3.989 -4.356 -9.667
87 H GLU 14 H GLU 14 8.185 -3.376 -4.189
88 HA GLU 14 HA GLU 14 10.275 -2.187 -3.694
89 1HB GLU 14 1HB GLU 14 10.491 -4.559 -3.547
90 2HB GLU 14 2HB GLU 14 10.625 -4.705 -5.295
91 1HG GLU 14 1HG GLU 14 12.668 -3.000 -4.722
92 2HG GLU 14 2HG GLU 14 12.649 -4.038 -3.297
93 H ASN 15 H ASN 15 11.429 -0.667 -4.395
94 HA ASN 15 HA ASN 15 11.369 0.349 -6.953
95 1HB ASN 15 1HB ASN 15 12.363 1.180 -4.525
96 2HB ASN 15 2HB ASN 15 13.770 1.135 -5.585
97 2HD2 ASN 15 2HD2 ASN 15 10.560 2.418 -5.172
98 1HD2 ASN 15 1HD2 ASN 15 10.756 3.776 -6.221
99 HA PRO 16 HA PRO 16 14.386 -2.524 -8.704
100 1HB PRO 16 1HB PRO 16 13.355 -1.674 -11.278
101 2HB PRO 16 2HB PRO 16 13.235 -3.266 -10.526
102 1HG PRO 16 1HG PRO 16 11.091 -1.618 -10.922
103 2HG PRO 16 2HG PRO 16 11.176 -2.828 -9.629
104 1HD PRO 16 1HD PRO 16 11.634 0.130 -9.495
105 2HD PRO 16 2HD PRO 16 10.803 -0.936 -8.341
106 H PHE 17 H PHE 17 13.952 0.635 -8.487
107 HA PHE 17 HA PHE 17 15.989 1.557 -10.341
108 1HB PHE 17 1HB PHE 17 13.679 2.677 -9.637
109 2HB PHE 17 2HB PHE 17 14.661 3.319 -8.326
110 HD1 PHE 17 HD1 PHE 17 16.894 4.455 -9.060
111 HD2 PHE 17 HD2 PHE 17 13.538 3.822 -11.593
112 HE1 PHE 17 HE1 PHE 17 17.685 6.256 -10.551
113 HE2 PHE 17 HE2 PHE 17 14.316 5.619 -13.089
114 HZ PHE 17 HZ PHE 17 16.392 6.840 -12.567
115 H PHE 18 H PHE 18 15.245 1.975 -6.885
116 HA PHE 18 HA PHE 18 17.984 2.642 -6.286
117 1HB PHE 18 1HB PHE 18 15.825 2.099 -4.266
118 2HB PHE 18 2HB PHE 18 17.221 3.162 -4.117
119 HD1 PHE 18 HD1 PHE 18 17.288 5.016 -6.044
120 HD2 PHE 18 HD2 PHE 18 13.791 3.124 -4.553
121 HE1 PHE 18 HE1 PHE 18 15.939 6.920 -6.822
122 HE2 PHE 18 HE2 PHE 18 12.430 5.027 -5.326
123 HZ PHE 18 HZ PHE 18 13.505 6.928 -6.460
124 H SER 19 H SER 19 16.380 -0.213 -6.764
125 HA SER 19 HA SER 19 17.172 -1.900 -4.721
126 1HB SER 19 1HB SER 19 16.148 -3.388 -6.047
127 2HB SER 19 2HB SER 19 16.097 -2.185 -7.334
128 HG SER 19 HG SER 19 17.418 -3.466 -8.333
129 H GLN 20 H GLN 20 19.203 -1.324 -3.960
130 HA GLN 20 HA GLN 20 21.483 -1.643 -5.761
131 1HB GLN 20 1HB GLN 20 22.680 -0.314 -4.330
132 2HB GLN 20 2HB GLN 20 21.062 0.275 -3.981
133 1HG GLN 20 1HG GLN 20 20.970 -1.249 -2.043
134 2HG GLN 20 2HG GLN 20 22.639 -1.716 -2.371
135 2HE2 GLN 20 2HE2 GLN 20 24.110 0.294 -2.672
136 1HE2 GLN 20 1HE2 GLN 20 23.950 1.506 -1.451
137 HA PRO 21 HA PRO 21 22.973 -5.372 -3.947
138 1HB PRO 21 1HB PRO 21 25.477 -4.486 -2.873
139 2HB PRO 21 2HB PRO 21 25.178 -5.294 -4.410
140 1HG PRO 21 1HG PRO 21 26.005 -2.654 -4.082
141 2HG PRO 21 2HG PRO 21 25.337 -3.356 -5.562
142 1HD PRO 21 1HD PRO 21 24.058 -1.591 -3.560
143 2HD PRO 21 2HD PRO 21 23.697 -1.799 -5.284
144 H GLY 22 H GLY 22 21.211 -4.512 -2.232
145 1HA GLY 22 1HA GLY 22 22.458 -4.313 0.414
146 2HA GLY 22 2HA GLY 22 21.388 -5.669 0.102
147 H ALA 23 H ALA 23 20.094 -3.245 -1.676
148 HA ALA 23 HA ALA 23 18.058 -2.767 0.317
149 1HB ALA 23 2HB ALA 23 19.071 -0.901 1.072
150 2HB ALA 23 1HB ALA 23 20.098 -0.760 -0.355
151 3HB ALA 23 3HB ALA 23 18.435 -0.177 -0.406
152 HA PRO 24 HA PRO 24 15.958 -2.669 -3.599
153 1HB PRO 24 1HB PRO 24 14.208 -4.550 -2.913
154 2HB PRO 24 2HB PRO 24 15.902 -4.962 -3.183
155 1HG PRO 24 1HG PRO 24 14.392 -4.827 -0.651
156 2HG PRO 24 2HG PRO 24 15.863 -5.732 -1.036
157 1HD PRO 24 1HD PRO 24 15.596 -3.151 0.248
158 2HD PRO 24 2HD PRO 24 17.055 -4.140 0.017
159 H ILE 25 H ILE 25 15.434 -0.425 -2.696
160 HA ILE 25 HA ILE 25 13.466 0.368 -1.113
161 HB ILE 25 HB ILE 25 14.188 1.383 -3.859
162 1HG1 ILE 25 1HG1 ILE 25 16.024 1.552 -2.427
163 2HG1 ILE 25 2HG1 ILE 25 15.236 3.118 -2.228
164 1HG2 ILE 25 1HG2 ILE 25 12.342 2.474 -1.754
165 2HG2 ILE 25 2HG2 ILE 25 13.198 3.551 -2.855
166 3HG2 ILE 25 3HG2 ILE 25 12.069 2.359 -3.489
167 1HD1 ILE 25 1HD1 ILE 25 14.004 2.102 -0.278
168 2HD1 ILE 25 2HD1 ILE 25 15.120 0.744 -0.402
169 3HD1 ILE 25 3HD1 ILE 25 15.734 2.360 -0.052
170 H LEU 26 H LEU 26 11.358 1.544 -2.096
171 HA LEU 26 HA LEU 26 9.792 -0.356 -3.628
172 1HB LEU 26 1HB LEU 26 8.584 0.546 -1.135
173 2HB LEU 26 2HB LEU 26 8.524 -1.034 -1.909
174 HG LEU 26 HG LEU 26 11.125 -0.294 -0.929
175 1HD1 LEU 26 1HD1 LEU 26 8.879 0.123 0.790
176 2HD1 LEU 26 2HD1 LEU 26 9.934 -1.139 1.425
177 3HD1 LEU 26 3HD1 LEU 26 10.588 0.455 1.062
178 1HD2 LEU 26 1HD2 LEU 26 9.678 -2.615 -1.522
179 2HD2 LEU 26 2HD2 LEU 26 11.354 -2.495 -0.982
180 3HD2 LEU 26 3HD2 LEU 26 10.058 -2.690 0.198
181 H GLN 27 H GLN 27 7.403 0.391 -2.962
182 HA GLN 27 HA GLN 27 6.630 2.993 -2.770
183 1HB GLN 27 1HB GLN 27 7.862 3.805 -4.560
184 2HB GLN 27 2HB GLN 27 7.619 2.356 -5.522
185 1HG GLN 27 1HG GLN 27 5.122 3.715 -4.977
186 2HG GLN 27 2HG GLN 27 6.288 4.766 -5.781
187 2HE2 GLN 27 2HE2 GLN 27 5.179 4.822 -7.707
188 1HE2 GLN 27 1HE2 GLN 27 5.057 3.458 -8.761
189 H CYS 28 H CYS 28 5.243 1.173 -1.860
190 HA CYS 28 HA CYS 28 3.631 -0.577 -2.889
191 1HB CYS 28 1HB CYS 28 3.389 0.664 -0.620
192 2HB CYS 28 2HB CYS 28 2.171 1.609 -1.470
193 H MET 29 H MET 29 2.841 -0.773 -4.862
194 HA MET 29 HA MET 29 0.933 1.221 -5.796
195 1HB MET 29 1HB MET 29 2.512 2.180 -7.091
196 2HB MET 29 2HB MET 29 3.597 0.803 -6.961
197 1HG MET 29 1HG MET 29 2.482 -0.342 -8.719
198 2HG MET 29 2HG MET 29 1.168 0.830 -8.732
199 1HE MET 29 1HE MET 29 1.229 3.125 -9.866
200 2HE MET 29 2HE MET 29 2.415 3.625 -8.662
201 3HE MET 29 3HE MET 29 2.705 3.948 -10.370
202 H GLY 30 H GLY 30 -0.804 0.262 -6.583
203 1HA GLY 30 1HA GLY 30 -0.933 -2.577 -6.842
204 2HA GLY 30 2HA GLY 30 -0.938 -1.790 -8.415
205 H CYS 31 H CYS 31 -2.971 -3.273 -6.604
206 HA CYS 31 HA CYS 31 -5.062 -1.256 -6.411
207 1HB CYS 31 1HB CYS 31 -5.709 -3.765 -7.918
208 2HB CYS 31 2HB CYS 31 -6.541 -2.213 -7.932
209 H CYS 32 H CYS 32 -6.590 -1.718 -4.881
210 HA CYS 32 HA CYS 32 -6.154 -4.197 -3.361
211 1HB CYS 32 1HB CYS 32 -7.469 -2.859 -1.564
212 2HB CYS 32 2HB CYS 32 -5.786 -2.447 -1.872
213 H PHE 33 H PHE 33 -7.783 -5.578 -2.934
214 HA PHE 33 HA PHE 33 -10.537 -4.912 -3.327
215 1HB PHE 33 1HB PHE 33 -10.956 -6.579 -5.121
216 2HB PHE 33 2HB PHE 33 -9.968 -5.225 -5.659
217 HD1 PHE 33 HD1 PHE 33 -9.522 -8.620 -4.175
218 HD2 PHE 33 HD2 PHE 33 -8.147 -5.712 -6.960
219 HE1 PHE 33 HE1 PHE 33 -7.814 -10.200 -4.975
220 HE2 PHE 33 HE2 PHE 33 -6.436 -7.286 -7.766
221 HZ PHE 33 HZ PHE 33 -6.268 -9.534 -6.772
222 H SER 34 H SER 34 -8.034 -7.278 -2.726
223 HA SER 34 HA SER 34 -9.638 -9.411 -1.856
224 1HB SER 34 1HB SER 34 -6.793 -8.591 -1.410
225 2HB SER 34 2HB SER 34 -7.470 -9.883 -0.419
226 HG SER 34 HG SER 34 -7.202 -11.148 -2.060
227 H ARG 35 H ARG 35 -10.578 -9.897 0.067
228 HA ARG 35 HA ARG 35 -11.422 -9.640 2.161
229 1HB ARG 35 1HB ARG 35 -9.908 -9.194 3.767
230 2HB ARG 35 2HB ARG 35 -8.763 -9.041 2.442
231 1HG ARG 35 1HG ARG 35 -9.318 -6.588 2.386
232 2HG ARG 35 2HG ARG 35 -10.220 -6.839 3.882
233 1HD ARG 35 1HD ARG 35 -7.719 -8.048 4.271
234 2HD ARG 35 2HD ARG 35 -7.394 -6.504 3.483
235 HE ARG 35 HE ARG 35 -8.273 -5.390 5.333
236 1HH1 ARG 35 1HH1 ARG 35 -8.488 -8.849 5.694
237 2HH1 ARG 35 2HH1 ARG 35 -8.839 -8.778 7.389
238 1HH2 ARG 35 1HH2 ARG 35 -8.734 -5.288 7.562
239 2HH2 ARG 35 2HH2 ARG 35 -8.981 -6.754 8.450
240 H ALA 36 H ALA 36 -13.321 -8.643 2.189
241 HA ALA 36 HA ALA 36 -13.883 -6.146 3.004
242 1HB ALA 36 2HB ALA 36 -13.206 -6.104 0.092
243 2HB ALA 36 3HB ALA 36 -14.387 -4.974 0.755
244 3HB ALA 36 1HB ALA 36 -12.733 -4.980 1.368
245 H TYR 37 H TYR 37 -15.733 -7.089 3.748
246 HA TYR 37 HA TYR 37 -17.483 -8.764 2.484
247 1HB TYR 37 1HB TYR 37 -18.714 -6.587 4.100
248 2HB TYR 37 2HB TYR 37 -18.962 -8.328 4.187
249 HD1 TYR 37 HD1 TYR 37 -17.289 -9.749 5.378
250 HD2 TYR 37 HD2 TYR 37 -17.118 -5.500 5.487
251 HE1 TYR 37 HE1 TYR 37 -15.807 -9.865 7.337
252 HE2 TYR 37 HE2 TYR 37 -15.634 -5.602 7.446
253 HH TYR 37 HH TYR 37 -14.453 -6.929 8.796
254 HA PRO 38 HA PRO 38 -19.691 -7.176 -0.958
255 1HB PRO 38 1HB PRO 38 -21.960 -6.853 0.979
256 2HB PRO 38 2HB PRO 38 -21.979 -7.496 -0.667
257 1HG PRO 38 1HG PRO 38 -21.921 -9.080 1.549
258 2HG PRO 38 2HG PRO 38 -21.241 -9.562 -0.012
259 1HD PRO 38 1HD PRO 38 -19.855 -8.988 2.473
260 2HD PRO 38 2HD PRO 38 -19.192 -9.627 0.956
261 H THR 39 H THR 39 -20.000 -5.182 -1.848
262 HA THR 39 HA THR 39 -19.919 -2.888 -0.005
263 HB THR 39 HB THR 39 -17.915 -2.897 -1.275
264 HG1 THR 39 HG1 THR 39 -18.411 -1.076 -2.822
265 1HG2 THR 39 1HG2 THR 39 -19.321 -4.250 -3.227
266 2HG2 THR 39 2HG2 THR 39 -18.953 -2.689 -3.961
267 3HG2 THR 39 3HG2 THR 39 -17.651 -3.694 -3.323
268 HA PRO 40 HA PRO 40 -23.951 -1.847 -1.546
269 1HB PRO 40 1HB PRO 40 -24.094 0.641 -0.481
270 2HB PRO 40 2HB PRO 40 -24.253 -0.822 0.500
271 1HG PRO 40 1HG PRO 40 -21.841 0.910 0.068
272 2HG PRO 40 2HG PRO 40 -22.482 0.251 1.586
273 1HD PRO 40 1HD PRO 40 -20.411 -0.896 0.304
274 2HD PRO 40 2HD PRO 40 -21.621 -1.862 1.177
275 H LEU 41 H LEU 41 -24.869 -0.617 -3.179
276 HA LEU 41 HA LEU 41 -22.964 0.795 -4.886
277 1HB LEU 41 1HB LEU 41 -24.182 -0.831 -6.082
278 2HB LEU 41 2HB LEU 41 -25.700 -0.359 -5.343
279 HG LEU 41 HG LEU 41 -24.358 1.721 -6.957
280 1HD1 LEU 41 1HD1 LEU 41 -24.649 -0.885 -8.018
281 2HD1 LEU 41 2HD1 LEU 41 -25.885 0.134 -8.754
282 3HD1 LEU 41 3HD1 LEU 41 -24.186 0.596 -8.855
283 1HD2 LEU 41 1HD2 LEU 41 -27.070 0.884 -6.171
284 2HD2 LEU 41 2HD2 LEU 41 -26.393 2.498 -6.380
285 3HD2 LEU 41 3HD2 LEU 41 -26.917 1.572 -7.787
286 H ARG 42 H ARG 42 -25.240 1.487 -2.539
287 HA ARG 42 HA ARG 42 -24.984 4.193 -2.542
288 1HB ARG 42 1HB ARG 42 -26.708 3.335 -4.712
289 2HB ARG 42 2HB ARG 42 -27.557 4.400 -3.600
290 1HG ARG 42 1HG ARG 42 -25.484 5.921 -3.836
291 2HG ARG 42 2HG ARG 42 -25.149 4.962 -5.278
292 1HD ARG 42 1HD ARG 42 -26.418 6.595 -6.225
293 2HD ARG 42 2HD ARG 42 -27.706 5.485 -5.756
294 HE ARG 42 HE ARG 42 -27.165 7.309 -3.663
295 1HH1 ARG 42 1HH1 ARG 42 -28.660 7.112 -6.801
296 2HH1 ARG 42 2HH1 ARG 42 -29.787 8.390 -6.487
297 1HH2 ARG 42 1HH2 ARG 42 -28.643 8.993 -3.241
298 2HH2 ARG 42 2HH2 ARG 42 -29.778 9.460 -4.463
299 H SER 43 H SER 43 -25.851 4.968 -0.725
300 HA SER 43 HA SER 43 -28.321 3.916 0.350
301 1HB SER 43 1HB SER 43 -25.662 3.448 1.701
302 2HB SER 43 2HB SER 43 -27.180 3.457 2.599
303 HG SER 43 HG SER 43 -26.145 1.556 0.915
304 H LYS 44 H LYS 44 -26.926 6.461 -0.549
305 HA LYS 44 HA LYS 44 -27.479 8.051 1.871
306 1HB LYS 44 1HB LYS 44 -25.964 9.777 0.814
307 2HB LYS 44 2HB LYS 44 -25.170 8.315 1.383
308 1HG LYS 44 1HG LYS 44 -25.798 7.748 -1.252
309 2HG LYS 44 2HG LYS 44 -25.302 9.441 -1.279
310 1HD LYS 44 1HD LYS 44 -23.538 7.917 0.400
311 2HD LYS 44 2HD LYS 44 -23.654 7.172 -1.196
312 1HE LYS 44 1HE LYS 44 -21.904 9.080 -0.695
313 2HE LYS 44 2HE LYS 44 -22.720 8.971 -2.253
314 1HZ LYS 44 1HZ LYS 44 -24.043 10.543 -0.188
315 2HZ LYS 44 2HZ LYS 44 -22.627 11.197 -0.843
316 3HZ LYS 44 3HZ LYS 44 -23.932 10.820 -1.852
317 H LYS 45 H LYS 45 -28.195 10.318 1.367
318 HA LYS 45 HA LYS 45 -29.387 10.883 -1.156
319 1HB LYS 45 1HB LYS 45 -31.746 10.884 -0.373
320 2HB LYS 45 2HB LYS 45 -31.041 9.277 -0.460
321 1HG LYS 45 1HG LYS 45 -30.503 9.813 2.092
322 2HG LYS 45 2HG LYS 45 -31.928 10.835 1.889
323 1HD LYS 45 1HD LYS 45 -33.187 9.024 2.185
324 2HD LYS 45 2HD LYS 45 -32.559 8.400 0.659
325 1HE LYS 45 1HE LYS 45 -31.616 7.847 3.453
326 2HE LYS 45 2HE LYS 45 -32.125 6.703 2.212
327 1HZ LYS 45 1HZ LYS 45 -30.095 7.625 0.942
328 2HZ LYS 45 2HZ LYS 45 -29.574 8.153 2.462
329 3HZ LYS 45 3HZ LYS 45 -29.843 6.506 2.183
330 H THR 46 H THR 46 -31.391 12.648 -0.346
331 HA THR 46 HA THR 46 -29.762 14.730 0.906
332 HB THR 46 HB THR 46 -30.945 16.282 -0.299
333 HG1 THR 46 HG1 THR 46 -33.055 16.270 -0.458
334 1HG2 THR 46 1HG2 THR 46 -31.084 13.731 -1.833
335 2HG2 THR 46 2HG2 THR 46 -31.818 15.196 -2.484
336 3HG2 THR 46 3HG2 THR 46 -30.093 15.163 -2.115
337 H MET 47 H MET 47 -30.827 12.741 2.601
338 HA MET 47 HA MET 47 -32.669 14.378 4.206
339 1HB MET 47 1HB MET 47 -34.058 12.661 3.310
340 2HB MET 47 2HB MET 47 -32.850 11.422 3.630
341 1HG MET 47 1HG MET 47 -33.358 11.295 5.849
342 2HG MET 47 2HG MET 47 -33.923 12.963 5.929
343 1HE MET 47 1HE MET 47 -34.384 9.465 5.260
344 2HE MET 47 2HE MET 47 -36.100 9.179 5.549
345 3HE MET 47 3HE MET 47 -35.522 9.487 3.912
346 H LEU 48 H LEU 48 -31.312 11.178 4.835
347 HA LEU 48 HA LEU 48 -30.205 12.161 7.338
348 1HB LEU 48 1HB LEU 48 -31.423 9.813 6.624
349 2HB LEU 48 2HB LEU 48 -29.731 9.359 6.613
350 HG LEU 48 HG LEU 48 -31.084 9.024 8.779
351 1HD1 LEU 48 1HD1 LEU 48 -28.469 9.209 8.291
352 2HD1 LEU 48 2HD1 LEU 48 -28.646 10.586 9.378
353 3HD1 LEU 48 3HD1 LEU 48 -29.124 8.974 9.912
354 1HD2 LEU 48 1HD2 LEU 48 -31.668 11.666 8.464
355 2HD2 LEU 48 2HD2 LEU 48 -31.769 10.786 9.989
356 3HD2 LEU 48 3HD2 LEU 48 -30.330 11.731 9.609
357 H VAL 49 H VAL 49 -28.254 13.058 7.268
358 HA VAL 49 HA VAL 49 -26.375 13.014 5.307
359 HB VAL 49 HB VAL 49 -24.803 13.850 6.821
360 1HG1 VAL 49 1HG1 VAL 49 -27.355 14.809 6.866
361 2HG1 VAL 49 2HG1 VAL 49 -27.021 14.587 8.584
362 3HG1 VAL 49 3HG1 VAL 49 -25.963 15.601 7.603
363 1HG2 VAL 49 1HG2 VAL 49 -26.217 12.232 8.932
364 2HG2 VAL 49 2HG2 VAL 49 -24.570 12.030 8.333
365 3HG2 VAL 49 3HG2 VAL 49 -24.991 13.447 9.295
366 H GLN 50 H GLN 50 -24.059 12.073 5.610
367 HA GLN 50 HA GLN 50 -23.865 9.538 4.843
368 1HB GLN 50 1HB GLN 50 -22.077 11.408 5.971
369 2HB GLN 50 2HB GLN 50 -21.793 9.885 6.804
370 1HG GLN 50 1HG GLN 50 -20.417 9.487 5.085
371 2HG GLN 50 2HG GLN 50 -21.900 9.026 4.253
372 2HE2 GLN 50 2HE2 GLN 50 -22.165 9.897 2.341
373 1HE2 GLN 50 1HE2 GLN 50 -21.511 11.401 1.799
374 H LYS 51 H LYS 51 -24.623 7.668 5.547
375 HA LYS 51 HA LYS 51 -24.707 7.176 8.452
376 1HB LYS 51 1HB LYS 51 -26.702 5.742 8.022
377 2HB LYS 51 2HB LYS 51 -26.972 7.448 7.689
378 1HG LYS 51 1HG LYS 51 -26.741 7.057 5.313
379 2HG LYS 51 2HG LYS 51 -26.365 5.358 5.606
380 1HD LYS 51 1HD LYS 51 -28.690 5.624 4.936
381 2HD LYS 51 2HD LYS 51 -28.584 5.046 6.600
382 1HE LYS 51 1HE LYS 51 -28.887 7.388 7.371
383 2HE LYS 51 2HE LYS 51 -29.133 7.869 5.693
384 1HZ LYS 51 1HZ LYS 51 -30.845 5.749 6.148
385 2HZ LYS 51 2HZ LYS 51 -30.986 6.742 7.511
386 3HZ LYS 51 3HZ LYS 51 -31.260 7.377 5.967
387 H ASN 52 H ASN 52 -22.517 6.329 8.004
388 HA ASN 52 HA ASN 52 -21.251 4.395 8.133
389 1HB ASN 52 1HB ASN 52 -23.520 3.184 8.394
390 2HB ASN 52 2HB ASN 52 -23.397 2.874 6.663
391 2HD2 ASN 52 2HD2 ASN 52 -22.478 1.043 6.118
392 1HD2 ASN 52 1HD2 ASN 52 -21.355 0.139 7.072
393 H VAL 53 H VAL 53 -20.802 6.279 6.302
394 HA VAL 53 HA VAL 53 -20.934 5.611 3.607
395 HB VAL 53 HB VAL 53 -20.345 7.832 4.119
396 1HG1 VAL 53 1HG1 VAL 53 -18.519 6.569 6.027
397 2HG1 VAL 53 2HG1 VAL 53 -17.847 7.976 5.201
398 3HG1 VAL 53 3HG1 VAL 53 -19.353 8.122 6.107
399 1HG2 VAL 53 1HG2 VAL 53 -18.887 6.362 2.340
400 2HG2 VAL 53 2HG2 VAL 53 -18.844 8.119 2.479
401 3HG2 VAL 53 3HG2 VAL 53 -17.624 7.140 3.293
402 H THR 54 H THR 54 -19.657 4.514 2.210
403 HA THR 54 HA THR 54 -17.308 3.117 3.290
404 HB THR 54 HB THR 54 -17.947 1.047 2.346
405 HG1 THR 54 HG1 THR 54 -19.942 2.516 0.978
406 1HG2 THR 54 1HG2 THR 54 -20.300 2.374 3.635
407 2HG2 THR 54 2HG2 THR 54 -20.352 0.695 3.101
408 3HG2 THR 54 3HG2 THR 54 -19.178 1.197 4.316
409 H SER 55 H SER 55 -18.932 4.656 0.652
410 HA SER 55 HA SER 55 -17.024 3.996 -1.368
411 1HB SER 55 1HB SER 55 -19.394 5.777 -1.141
412 2HB SER 55 2HB SER 55 -18.214 6.174 -2.389
413 HG SER 55 HG SER 55 -19.989 4.087 -2.244
414 H GLU 56 H GLU 56 -15.350 4.655 0.464
415 HA GLU 56 HA GLU 56 -14.660 7.491 0.196
416 1HB GLU 56 1HB GLU 56 -12.852 6.700 1.950
417 2HB GLU 56 2HB GLU 56 -14.501 7.052 2.446
418 1HG GLU 56 1HG GLU 56 -14.887 4.945 3.061
419 2HG GLU 56 2HG GLU 56 -14.109 4.284 1.625
420 H SER 57 H SER 57 -12.889 8.167 -0.882
421 HA SER 57 HA SER 57 -11.725 6.719 -2.886
422 1HB SER 57 1HB SER 57 -9.700 8.475 -2.022
423 2HB SER 57 2HB SER 57 -10.913 8.772 -3.268
424 HG SER 57 HG SER 57 -12.141 9.848 -1.843
425 H THR 58 H THR 58 -11.111 4.644 -2.324
426 HA THR 58 HA THR 58 -9.453 4.025 -0.117
427 HB THR 58 HB THR 58 -9.013 1.943 -1.797
428 HG1 THR 58 HG1 THR 58 -11.628 2.606 -2.490
429 1HG2 THR 58 1HG2 THR 58 -11.431 2.481 -0.103
430 2HG2 THR 58 2HG2 THR 58 -11.139 0.937 -0.903
431 3HG2 THR 58 3HG2 THR 58 -9.998 1.535 0.300
432 H CYS 59 H CYS 59 -7.288 3.738 0.061
433 HA CYS 59 HA CYS 59 -5.542 3.879 -2.211
434 1HB CYS 59 1HB CYS 59 -4.613 5.955 -1.935
435 2HB CYS 59 2HB CYS 59 -6.241 6.305 -1.362
436 H CYS 60 H CYS 60 -3.591 2.957 -1.837
437 HA CYS 60 HA CYS 60 -3.142 1.947 0.887
438 1HB CYS 60 1HB CYS 60 -1.444 0.723 -1.104
439 2HB CYS 60 2HB CYS 60 -2.619 -0.028 -0.030
440 H VAL 61 H VAL 61 -2.273 4.173 1.310
441 HA VAL 61 HA VAL 61 0.339 4.733 0.163
442 HB VAL 61 HB VAL 61 -1.399 6.238 2.110
443 1HG1 VAL 61 1HG1 VAL 61 1.420 6.322 2.002
444 2HG1 VAL 61 2HG1 VAL 61 0.829 7.793 1.230
445 3HG1 VAL 61 3HG1 VAL 61 0.332 7.400 2.876
446 1HG2 VAL 61 1HG2 VAL 61 -1.472 6.149 -0.600
447 2HG2 VAL 61 2HG2 VAL 61 -2.004 7.524 0.368
448 3HG2 VAL 61 3HG2 VAL 61 -0.386 7.513 -0.332
449 H ALA 62 H ALA 62 1.345 2.819 1.013
450 HA ALA 62 HA ALA 62 2.120 1.459 2.789
451 1HB ALA 62 2HB ALA 62 3.771 3.345 1.687
452 2HB ALA 62 3HB ALA 62 4.279 1.983 2.686
453 3HB ALA 62 1HB ALA 62 4.022 3.565 3.419
454 H LYS 63 H LYS 63 1.281 1.005 4.710
455 HA LYS 63 HA LYS 63 0.189 2.776 6.556
456 1HB LYS 63 1HB LYS 63 -0.017 0.222 6.435
457 2HB LYS 63 2HB LYS 63 1.530 0.164 7.267
458 1HG LYS 63 1HG LYS 63 0.504 1.497 9.111
459 2HG LYS 63 2HG LYS 63 -1.052 1.315 8.296
460 1HD LYS 63 1HD LYS 63 0.466 -1.177 8.706
461 2HD LYS 63 2HD LYS 63 -0.116 -0.392 10.175
462 1HE LYS 63 1HE LYS 63 -2.384 -0.382 9.289
463 2HE LYS 63 2HE LYS 63 -1.815 -1.116 7.791
464 1HZ LYS 63 1HZ LYS 63 -0.978 -2.669 9.993
465 2HZ LYS 63 2HZ LYS 63 -2.646 -2.409 10.098
466 3HZ LYS 63 3HZ LYS 63 -1.985 -3.109 8.707
467 H SER 64 H SER 64 3.393 1.610 6.012
468 HA SER 64 HA SER 64 4.487 3.610 7.844
469 1HB SER 64 1HB SER 64 4.924 0.660 7.932
470 2HB SER 64 2HB SER 64 6.319 1.699 8.220
471 HG SER 64 HG SER 64 3.921 1.503 9.689
472 H TYR 65 H TYR 65 7.095 3.352 7.423
473 HA TYR 65 HA TYR 65 7.742 2.831 4.671
474 1HB TYR 65 1HB TYR 65 8.515 5.342 4.460
475 2HB TYR 65 2HB TYR 65 6.883 4.848 4.022
476 HD1 TYR 65 HD1 TYR 65 5.007 5.252 5.649
477 HD2 TYR 65 HD2 TYR 65 8.898 6.879 6.195
478 HE1 TYR 65 HE1 TYR 65 4.093 6.886 7.245
479 HE2 TYR 65 HE2 TYR 65 7.998 8.518 7.791
480 HH TYR 65 HH TYR 65 5.930 9.559 8.391
481 H ASN 66 H ASN 66 9.950 3.372 4.139
482 HA ASN 66 HA ASN 66 11.637 3.878 6.486
483 1HB ASN 66 1HB ASN 66 11.487 1.395 5.056
484 2HB ASN 66 2HB ASN 66 13.079 2.110 4.826
485 2HD2 ASN 66 2HD2 ASN 66 14.467 1.246 6.179
486 1HD2 ASN 66 1HD2 ASN 66 14.181 0.882 7.843
487 H ARG 67 H ARG 67 10.573 5.330 4.382
488 HA ARG 67 HA ARG 67 11.466 6.180 2.212
489 1HB ARG 67 1HB ARG 67 10.814 7.594 4.495
490 2HB ARG 67 2HB ARG 67 12.346 8.289 3.990
491 1HG ARG 67 1HG ARG 67 11.163 8.337 1.640
492 2HG ARG 67 2HG ARG 67 9.707 8.319 2.635
493 1HD ARG 67 1HD ARG 67 11.785 10.414 2.341
494 2HD ARG 67 2HD ARG 67 10.038 10.568 2.503
495 HE ARG 67 HE ARG 67 10.294 10.196 4.873
496 1HH1 ARG 67 1HH1 ARG 67 13.241 10.870 3.119
497 2HH1 ARG 67 2HH1 ARG 67 14.106 11.376 4.530
498 1HH2 ARG 67 1HH2 ARG 67 11.429 10.863 6.718
499 2HH2 ARG 67 2HH2 ARG 67 13.078 11.372 6.574
500 H VAL 68 H VAL 68 13.164 6.069 1.043
501 HA VAL 68 HA VAL 68 15.820 6.354 2.269
502 HB VAL 68 HB VAL 68 16.738 4.685 0.841
503 1HG1 VAL 68 1HG1 VAL 68 14.579 4.068 2.586
504 2HG1 VAL 68 2HG1 VAL 68 14.527 2.953 1.225
505 3HG1 VAL 68 3HG1 VAL 68 15.991 3.090 2.194
506 1HG2 VAL 68 1HG2 VAL 68 14.872 5.464 -0.996
507 2HG2 VAL 68 2HG2 VAL 68 15.921 4.057 -1.149
508 3HG2 VAL 68 3HG2 VAL 68 14.279 3.874 -0.532
509 H THR 69 H THR 69 14.434 8.483 1.335
510 HA THR 69 HA THR 69 14.255 9.503 -1.002
511 HB THR 69 HB THR 69 16.152 10.692 1.011
512 HG1 THR 69 HG1 THR 69 13.461 10.532 0.813
513 1HG2 THR 69 1HG2 THR 69 16.065 11.494 -1.560
514 2HG2 THR 69 2HG2 THR 69 14.764 12.461 -0.869
515 3HG2 THR 69 3HG2 THR 69 16.391 12.565 -0.199
516 H VAL 70 H VAL 70 15.106 9.215 -2.884
517 HA VAL 70 HA VAL 70 18.012 8.808 -3.083
518 HB VAL 70 HB VAL 70 16.524 7.720 -5.309
519 1HG1 VAL 70 1HG1 VAL 70 18.675 6.877 -3.435
520 2HG1 VAL 70 2HG1 VAL 70 17.871 5.650 -4.412
521 3HG1 VAL 70 3HG1 VAL 70 18.695 7.000 -5.194
522 1HG2 VAL 70 1HG2 VAL 70 15.658 7.008 -2.570
523 2HG2 VAL 70 2HG2 VAL 70 14.763 6.971 -4.086
524 3HG2 VAL 70 3HG2 VAL 70 15.896 5.676 -3.698
525 H MET 71 H MET 71 18.340 8.832 -5.719
526 HA MET 71 HA MET 71 18.929 10.369 -7.294
527 1HB MET 71 1HB MET 71 16.156 11.379 -7.469
528 2HB MET 71 2HB MET 71 17.205 10.748 -8.730
529 1HG MET 71 1HG MET 71 16.338 8.752 -6.789
530 2HG MET 71 2HG MET 71 15.028 9.496 -7.701
531 1HE MET 71 1HE MET 71 18.370 7.990 -7.699
532 2HE MET 71 2HE MET 71 18.204 6.624 -8.804
533 3HE MET 71 3HE MET 71 18.825 8.165 -9.394
534 H GLY 72 H GLY 72 17.055 12.802 -7.672
535 1HA GLY 72 1HA GLY 72 17.264 15.032 -7.204
536 2HA GLY 72 2HA GLY 72 18.697 14.643 -6.269
537 H GLY 73 H GLY 73 16.318 12.731 -5.050
538 1HA GLY 73 1HA GLY 73 15.325 14.795 -3.204
539 2HA GLY 73 2HA GLY 73 16.074 13.337 -2.569
540 H PHE 74 H PHE 74 15.002 11.470 -4.389
541 HA PHE 74 HA PHE 74 12.168 11.690 -4.551
542 1HB PHE 74 1HB PHE 74 14.085 9.383 -4.861
543 2HB PHE 74 2HB PHE 74 12.341 9.166 -4.978
544 HD1 PHE 74 HD1 PHE 74 14.349 12.037 -6.185
545 HD2 PHE 74 HD2 PHE 74 12.058 8.604 -7.229
546 HE1 PHE 74 HE1 PHE 74 14.422 12.712 -8.549
547 HE2 PHE 74 HE2 PHE 74 12.127 9.276 -9.596
548 HZ PHE 74 HZ PHE 74 13.310 11.332 -10.257
549 H LYS 75 H LYS 75 10.922 9.609 -3.554
550 HA LYS 75 HA LYS 75 11.758 9.036 -0.849
551 1HB LYS 75 1HB LYS 75 9.064 10.118 -0.716
552 2HB LYS 75 2HB LYS 75 10.457 10.442 0.306
553 1HG LYS 75 1HG LYS 75 11.207 11.885 -1.772
554 2HG LYS 75 2HG LYS 75 9.471 11.901 -2.081
555 1HD LYS 75 1HD LYS 75 9.836 12.396 0.676
556 2HD LYS 75 2HD LYS 75 10.981 13.421 -0.189
557 1HE LYS 75 1HE LYS 75 9.077 14.740 -0.087
558 2HE LYS 75 2HE LYS 75 8.966 14.013 -1.689
559 1HZ LYS 75 1HZ LYS 75 7.573 12.994 0.729
560 2HZ LYS 75 2HZ LYS 75 6.855 13.959 -0.461
561 3HZ LYS 75 3HZ LYS 75 7.408 12.408 -0.851
562 H VAL 76 H VAL 76 11.552 6.868 -1.218
563 HA VAL 76 HA VAL 76 9.042 5.786 -2.213
564 HB VAL 76 HB VAL 76 10.241 3.501 -1.936
565 1HG1 VAL 76 1HG1 VAL 76 10.459 5.385 -3.954
566 2HG1 VAL 76 2HG1 VAL 76 12.150 5.104 -3.541
567 3HG1 VAL 76 3HG1 VAL 76 11.122 3.754 -4.012
568 1HG2 VAL 76 1HG2 VAL 76 11.898 5.232 -0.389
569 2HG2 VAL 76 2HG2 VAL 76 12.101 3.508 -0.680
570 3HG2 VAL 76 3HG2 VAL 76 12.875 4.682 -1.745
571 H GLU 77 H GLU 77 9.820 7.076 0.416
572 HA GLU 77 HA GLU 77 9.698 6.559 2.715
573 1HB GLU 77 1HB GLU 77 7.194 6.779 1.385
574 2HB GLU 77 2HB GLU 77 7.036 5.451 2.524
575 1HG GLU 77 1HG GLU 77 6.430 7.135 3.896
576 2HG GLU 77 2HG GLU 77 8.172 7.230 4.140
577 H ASN 78 H ASN 78 10.962 4.718 1.240
578 HA ASN 78 HA ASN 78 10.814 2.389 0.640
579 1HB ASN 78 1HB ASN 78 12.896 3.159 1.830
580 2HB ASN 78 2HB ASN 78 12.184 2.529 3.318
581 H HIS 79 H HIS 79 8.530 2.410 0.965
582 HA HIS 79 HA HIS 79 7.013 1.973 3.038
583 1HB HIS 79 1HB HIS 79 6.848 0.482 0.433
584 2HB HIS 79 2HB HIS 79 5.548 0.530 1.632
585 HD1 HIS 79 HD1 HIS 79 4.460 1.836 -0.688
586 HD2 HIS 79 HD2 HIS 79 7.146 3.810 1.757
587 HE1 HIS 79 HE1 HIS 79 4.205 4.292 -1.225
588 H THR 80 H THR 80 6.815 0.828 4.647
589 HA THR 80 HA THR 80 8.109 -1.817 4.750
590 HB THR 80 HB THR 80 8.545 -1.471 7.039
591 HG1 THR 80 HG1 THR 80 6.333 0.091 6.904
592 1HG2 THR 80 1HG2 THR 80 9.417 0.435 5.208
593 2HG2 THR 80 2HG2 THR 80 8.912 1.352 6.625
594 3HG2 THR 80 3HG2 THR 80 10.115 0.073 6.786
595 H ALA 81 H ALA 81 5.135 -0.197 4.782
596 HA ALA 81 HA ALA 81 3.668 -2.640 5.065
597 1HB ALA 81 1HB ALA 81 3.948 -2.151 7.421
598 2HB ALA 81 3HB ALA 81 3.357 -0.508 7.181
599 3HB ALA 81 2HB ALA 81 2.269 -1.879 6.958
600 H CYS 82 H CYS 82 1.533 -2.429 4.250
601 HA CYS 82 HA CYS 82 0.854 0.243 3.209
602 1HB CYS 82 1HB CYS 82 1.689 -1.746 1.580
603 2HB CYS 82 2HB CYS 82 -0.045 -2.060 1.598
604 H HIS 83 H HIS 83 -1.394 0.659 2.878
605 HA HIS 83 HA HIS 83 -3.340 -1.220 3.890
606 1HB HIS 83 1HB HIS 83 -4.199 0.325 5.629
607 2HB HIS 83 2HB HIS 83 -2.573 -0.253 5.981
608 HD1 HIS 83 HD1 HIS 83 -3.462 2.260 7.363
609 HD2 HIS 83 HD2 HIS 83 -1.598 2.286 3.651
610 HE1 HIS 83 HE1 HIS 83 -2.459 4.553 7.129
611 HE2 HIS 83 HE2 HIS 83 -1.266 4.518 4.912
612 H CYS 84 H CYS 84 -4.858 -1.101 2.374
613 HA CYS 84 HA CYS 84 -5.334 1.387 0.946
614 1HB CYS 84 1HB CYS 84 -5.290 -0.468 -0.499
615 2HB CYS 84 2HB CYS 84 -6.274 -1.447 0.584
616 H SER 85 H SER 85 -6.859 2.775 1.460
617 HA SER 85 HA SER 85 -9.251 3.141 1.809
618 1HB SER 85 1HB SER 85 -9.707 0.830 2.525
619 2HB SER 85 2HB SER 85 -8.870 1.137 4.047
620 HG SER 85 HG SER 85 -10.753 1.770 4.719
621 H THR 86 H THR 86 -6.974 4.587 2.380
622 HA THR 86 HA THR 86 -7.829 5.983 4.784
623 HB THR 86 HB THR 86 -5.561 6.108 5.704
624 HG1 THR 86 HG1 THR 86 -4.712 4.091 3.959
625 1HG2 THR 86 1HG2 THR 86 -6.667 3.362 5.272
626 2HG2 THR 86 2HG2 THR 86 -5.198 3.635 6.210
627 3HG2 THR 86 3HG2 THR 86 -6.719 4.366 6.720
628 H CYS 87 H CYS 87 -8.501 7.246 2.788
629 HA CYS 87 HA CYS 87 -6.612 9.396 2.427
630 1HB CYS 87 1HB CYS 87 -7.236 7.458 0.255
631 2HB CYS 87 2HB CYS 87 -7.154 9.161 -0.181
632 H TYR 88 H TYR 88 -8.315 10.493 3.545
633 HA TYR 88 HA TYR 88 -10.850 10.782 2.136
634 1HB TYR 88 1HB TYR 88 -11.680 11.842 4.099
635 2HB TYR 88 2HB TYR 88 -10.729 10.463 4.636
636 HD1 TYR 88 HD1 TYR 88 -10.518 14.142 4.102
637 HD2 TYR 88 HD2 TYR 88 -9.035 10.757 6.208
638 HE1 TYR 88 HE1 TYR 88 -9.201 15.629 5.552
639 HE2 TYR 88 HE2 TYR 88 -7.714 12.232 7.663
640 HH TYR 88 HH TYR 88 -7.605 14.481 8.395
641 H TYR 89 H TYR 89 -11.582 12.651 1.223
642 HA TYR 89 HA TYR 89 -10.283 15.166 1.492
643 1HB TYR 89 1HB TYR 89 -9.139 15.379 -0.528
644 2HB TYR 89 2HB TYR 89 -8.751 13.729 -0.049
645 HD1 TYR 89 HD1 TYR 89 -11.148 12.256 -0.808
646 HD2 TYR 89 HD2 TYR 89 -9.138 15.396 -2.855
647 HE1 TYR 89 HE1 TYR 89 -12.032 11.418 -2.943
648 HE2 TYR 89 HE2 TYR 89 -10.018 14.569 -4.998
649 HH TYR 89 HH TYR 89 -10.887 11.979 -5.754
650 H HIS 90 H HIS 90 -11.132 16.717 -0.280
651 HA HIS 90 HA HIS 90 -13.169 17.804 -0.678
652 1HB HIS 90 1HB HIS 90 -13.143 15.560 -2.708
653 2HB HIS 90 2HB HIS 90 -13.947 17.116 -2.884
654 HD1 HIS 90 HD1 HIS 90 -11.351 18.655 -1.651
655 HD2 HIS 90 HD2 HIS 90 -11.493 16.090 -4.919
656 HE1 HIS 90 HE1 HIS 90 -9.359 19.255 -3.065
657 HE2 HIS 90 HE2 HIS 90 -9.506 17.738 -5.070
658 H LYS 91 H LYS 91 -14.185 17.020 1.379
659 HA LYS 91 HA LYS 91 -16.314 15.057 0.849
660 1HB LYS 91 1HB LYS 91 -15.999 14.200 2.898
661 2HB LYS 91 2HB LYS 91 -14.473 15.067 2.879
662 1HG LYS 91 1HG LYS 91 -15.100 16.287 4.613
663 2HG LYS 91 2HG LYS 91 -16.547 16.830 3.767
664 1HD LYS 91 1HD LYS 91 -17.802 15.590 5.116
665 2HD LYS 91 2HD LYS 91 -16.959 14.139 4.568
666 1HE LYS 91 1HE LYS 91 -15.721 15.909 6.635
667 2HE LYS 91 2HE LYS 91 -16.968 14.751 7.097
668 1HZ LYS 91 1HZ LYS 91 -15.563 13.026 5.969
669 2HZ LYS 91 2HZ LYS 91 -14.330 14.180 5.874
670 3HZ LYS 91 3HZ LYS 91 -14.906 13.678 7.384
671 H SER 92 H SER 92 -15.933 18.242 0.730
672 HA SER 92 HA SER 92 -18.597 18.788 1.868
673 1HB SER 92 1HB SER 92 -17.892 21.052 2.355
674 2HB SER 92 2HB SER 92 -16.725 19.936 3.066
675 HG SER 92 HG SER 92 -15.622 20.295 0.887
No H/Q in entry = 675
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 -0.745 -16.550 -17.957
2 H2 ALA 1 H2 ALA 1 0.380 -15.580 -18.816
3 H3 ALA 1 H3 ALA 1 0.931 -16.697 -17.633
4 HA ALA 1 HA ALA 1 -0.026 -15.482 -15.906
5 1HB ALA 1 2HB ALA 1 2.181 -14.762 -16.797
6 2HB ALA 1 3HB ALA 1 1.278 -13.470 -16.007
7 3HB ALA 1 1HB ALA 1 1.347 -13.548 -17.767
8 HA PRO 2 HA PRO 2 -3.958 -13.834 -17.621
9 1HB PRO 2 1HB PRO 2 -4.558 -13.990 -14.714
10 2HB PRO 2 2HB PRO 2 -5.511 -14.548 -16.091
11 1HG PRO 2 1HG PRO 2 -4.204 -16.282 -14.545
12 2HG PRO 2 2HG PRO 2 -4.303 -16.517 -16.300
13 1HD PRO 2 1HD PRO 2 -2.022 -15.525 -14.645
14 2HD PRO 2 2HD PRO 2 -2.005 -16.571 -16.079
15 H ASP 3 H ASP 3 -5.420 -12.128 -16.097
16 HA ASP 3 HA ASP 3 -4.260 -10.193 -14.565
17 1HB ASP 3 1HB ASP 3 -3.730 -8.387 -16.223
18 2HB ASP 3 2HB ASP 3 -2.605 -9.741 -16.252
19 H VAL 4 H VAL 4 -6.447 -11.003 -17.123
20 HA VAL 4 HA VAL 4 -8.144 -9.012 -17.532
21 HB VAL 4 HB VAL 4 -8.799 -11.096 -18.387
22 1HG1 VAL 4 1HG1 VAL 4 -8.713 -12.042 -15.540
23 2HG1 VAL 4 2HG1 VAL 4 -9.561 -12.945 -16.795
24 3HG1 VAL 4 3HG1 VAL 4 -7.827 -12.658 -16.937
25 1HG2 VAL 4 1HG2 VAL 4 -10.692 -9.656 -17.787
26 2HG2 VAL 4 2HG2 VAL 4 -11.113 -11.366 -17.679
27 3HG2 VAL 4 3HG2 VAL 4 -10.786 -10.445 -16.211
28 H GLN 5 H GLN 5 -9.030 -7.478 -16.345
29 HA GLN 5 HA GLN 5 -9.409 -6.343 -14.322
30 1HB GLN 5 1HB GLN 5 -11.726 -6.966 -13.596
31 2HB GLN 5 2HB GLN 5 -11.551 -6.665 -15.319
32 1HG GLN 5 1HG GLN 5 -11.753 -8.914 -15.862
33 2HG GLN 5 2HG GLN 5 -11.376 -9.441 -14.222
34 2HE2 GLN 5 2HE2 GLN 5 -12.980 -9.583 -12.725
35 1HE2 GLN 5 1HE2 GLN 5 -14.652 -9.340 -13.088
36 H ASP 6 H ASP 6 -7.454 -7.706 -13.396
37 HA ASP 6 HA ASP 6 -8.282 -8.511 -10.763
38 1HB ASP 6 1HB ASP 6 -7.781 -10.519 -12.783
39 2HB ASP 6 2HB ASP 6 -6.621 -10.664 -11.466
40 H CYS 7 H CYS 7 -6.863 -7.625 -9.432
41 HA CYS 7 HA CYS 7 -4.024 -7.592 -10.173
42 1HB CYS 7 1HB CYS 7 -3.795 -5.287 -9.403
43 2HB CYS 7 2HB CYS 7 -4.974 -5.378 -10.708
44 HA PRO 8 HA PRO 8 -3.372 -9.164 -6.104
45 1HB PRO 8 1HB PRO 8 -0.859 -7.604 -6.093
46 2HB PRO 8 2HB PRO 8 -1.103 -9.348 -5.941
47 1HG PRO 8 1HG PRO 8 -0.102 -8.267 -8.181
48 2HG PRO 8 2HG PRO 8 -1.180 -9.674 -8.226
49 1HD PRO 8 1HD PRO 8 -1.778 -6.805 -8.821
50 2HD PRO 8 2HD PRO 8 -2.373 -8.273 -9.623
51 H GLU 9 H GLU 9 -4.116 -8.480 -4.193
52 HA GLU 9 HA GLU 9 -5.147 -6.104 -3.550
53 1HB GLU 9 1HB GLU 9 -5.161 -8.133 -2.095
54 2HB GLU 9 2HB GLU 9 -3.533 -7.720 -1.573
55 1HG GLU 9 1HG GLU 9 -4.234 -6.035 -0.242
56 2HG GLU 9 2HG GLU 9 -5.574 -5.606 -1.305
57 H CYS 10 H CYS 10 -4.523 -4.089 -3.205
58 HA CYS 10 HA CYS 10 -2.146 -3.008 -3.873
59 1HB CYS 10 1HB CYS 10 -4.082 -1.637 -3.380
60 2HB CYS 10 2HB CYS 10 -3.993 -2.064 -1.675
61 H THR 11 H THR 11 -0.155 -2.753 -3.059
62 HA THR 11 HA THR 11 0.545 -2.850 -0.330
63 HB THR 11 HB THR 11 0.144 -5.210 -0.402
64 HG1 THR 11 HG1 THR 11 2.737 -5.660 -0.665
65 1HG2 THR 11 1HG2 THR 11 0.513 -5.227 -3.016
66 2HG2 THR 11 2HG2 THR 11 2.135 -5.723 -2.531
67 3HG2 THR 11 3HG2 THR 11 0.735 -6.673 -2.034
68 H LEU 12 H LEU 12 3.094 -3.674 -0.394
69 HA LEU 12 HA LEU 12 4.351 -1.560 -1.851
70 1HB LEU 12 1HB LEU 12 5.361 -3.745 -0.068
71 2HB LEU 12 2HB LEU 12 6.441 -2.622 -0.876
72 HG LEU 12 HG LEU 12 5.175 -0.748 0.255
73 1HD1 LEU 12 1HD1 LEU 12 3.168 -2.167 0.743
74 2HD1 LEU 12 2HD1 LEU 12 4.117 -2.985 1.982
75 3HD1 LEU 12 3HD1 LEU 12 3.780 -1.260 2.125
76 1HD2 LEU 12 1HD2 LEU 12 6.789 -2.813 1.717
77 2HD2 LEU 12 2HD2 LEU 12 7.271 -1.212 1.155
78 3HD2 LEU 12 3HD2 LEU 12 6.200 -1.372 2.546
79 H GLN 13 H GLN 13 5.451 -1.624 -3.695
80 HA GLN 13 HA GLN 13 5.862 -4.264 -4.922
81 1HB GLN 13 1HB GLN 13 4.752 -1.776 -6.038
82 2HB GLN 13 2HB GLN 13 5.790 -2.741 -7.080
83 1HG GLN 13 1HG GLN 13 4.070 -4.571 -5.909
84 2HG GLN 13 2HG GLN 13 3.055 -3.183 -6.295
85 2HE2 GLN 13 2HE2 GLN 13 2.770 -5.668 -7.516
86 1HE2 GLN 13 1HE2 GLN 13 3.189 -5.520 -9.185
87 H GLU 14 H GLU 14 7.777 -3.851 -3.625
88 HA GLU 14 HA GLU 14 9.865 -2.621 -3.380
89 1HB GLU 14 1HB GLU 14 10.008 -5.104 -3.688
90 2HB GLU 14 2HB GLU 14 10.333 -4.806 -5.391
91 1HG GLU 14 1HG GLU 14 12.213 -3.242 -4.438
92 2HG GLU 14 2HG GLU 14 12.042 -4.264 -3.010
93 H ASN 15 H ASN 15 10.975 -1.085 -4.084
94 HA ASN 15 HA ASN 15 10.441 0.370 -6.348
95 1HB ASN 15 1HB ASN 15 11.987 0.624 -4.100
96 2HB ASN 15 2HB ASN 15 13.139 0.745 -5.425
97 2HD2 ASN 15 2HD2 ASN 15 13.288 2.907 -4.506
98 1HD2 ASN 15 1HD2 ASN 15 12.219 4.116 -5.110
99 HA PRO 16 HA PRO 16 12.697 -2.162 -9.300
100 1HB PRO 16 1HB PRO 16 11.471 -0.418 -11.294
101 2HB PRO 16 2HB PRO 16 11.271 -2.158 -11.070
102 1HG PRO 16 1HG PRO 16 9.298 -0.382 -10.530
103 2HG PRO 16 2HG PRO 16 9.488 -1.904 -9.641
104 1HD PRO 16 1HD PRO 16 10.290 0.868 -8.845
105 2HD PRO 16 2HD PRO 16 9.553 -0.414 -7.863
106 H PHE 17 H PHE 17 13.144 0.840 -8.224
107 HA PHE 17 HA PHE 17 15.265 1.450 -10.178
108 1HB PHE 17 1HB PHE 17 14.968 3.693 -8.560
109 2HB PHE 17 2HB PHE 17 14.433 3.531 -10.223
110 HD1 PHE 17 HD1 PHE 17 12.054 2.119 -10.284
111 HD2 PHE 17 HD2 PHE 17 13.505 4.640 -7.185
112 HE1 PHE 17 HE1 PHE 17 9.751 2.538 -9.547
113 HE2 PHE 17 HE2 PHE 17 11.214 5.061 -6.434
114 HZ PHE 17 HZ PHE 17 9.317 4.015 -7.622
115 H PHE 18 H PHE 18 14.415 1.884 -6.776
116 HA PHE 18 HA PHE 18 17.152 2.134 -6.011
117 1HB PHE 18 1HB PHE 18 14.865 3.039 -4.921
118 2HB PHE 18 2HB PHE 18 15.139 1.615 -3.930
119 HD1 PHE 18 HD1 PHE 18 17.848 1.436 -3.371
120 HD2 PHE 18 HD2 PHE 18 15.538 4.968 -3.895
121 HE1 PHE 18 HE1 PHE 18 19.479 2.691 -2.024
122 HE2 PHE 18 HE2 PHE 18 17.169 6.234 -2.548
123 HZ PHE 18 HZ PHE 18 19.140 5.093 -1.610
124 H SER 19 H SER 19 15.271 -0.457 -6.793
125 HA SER 19 HA SER 19 15.937 -2.346 -4.798
126 1HB SER 19 1HB SER 19 14.186 -3.073 -6.129
127 2HB SER 19 2HB SER 19 14.945 -2.510 -7.618
128 HG SER 19 HG SER 19 14.948 -4.946 -6.673
129 H GLN 20 H GLN 20 18.097 -2.347 -4.281
130 HA GLN 20 HA GLN 20 19.891 -3.445 -6.334
131 1HB GLN 20 1HB GLN 20 20.611 -1.229 -6.362
132 2HB GLN 20 2HB GLN 20 20.291 -1.000 -4.649
133 1HG GLN 20 1HG GLN 20 22.358 -1.569 -4.090
134 2HG GLN 20 2HG GLN 20 22.311 -3.017 -5.091
135 2HE2 GLN 20 2HE2 GLN 20 22.956 0.426 -5.080
136 1HE2 GLN 20 1HE2 GLN 20 23.966 0.434 -6.482
137 HA PRO 21 HA PRO 21 20.990 -6.589 -3.441
138 1HB PRO 21 1HB PRO 21 23.802 -6.281 -3.760
139 2HB PRO 21 2HB PRO 21 22.758 -7.464 -4.549
140 1HG PRO 21 1HG PRO 21 23.801 -4.887 -5.570
141 2HG PRO 21 2HG PRO 21 23.344 -6.350 -6.459
142 1HD PRO 21 1HD PRO 21 21.823 -4.132 -6.497
143 2HD PRO 21 2HD PRO 21 21.106 -5.757 -6.528
144 H GLY 22 H GLY 22 20.235 -5.181 -1.711
145 1HA GLY 22 1HA GLY 22 22.357 -3.715 -0.303
146 2HA GLY 22 2HA GLY 22 21.473 -4.976 0.550
147 H ALA 23 H ALA 23 19.663 -3.278 -1.771
148 HA ALA 23 HA ALA 23 18.020 -2.114 0.293
149 1HB ALA 23 3HB ALA 23 19.993 -0.495 -0.490
150 2HB ALA 23 2HB ALA 23 18.385 0.105 -0.085
151 3HB ALA 23 1HB ALA 23 18.834 -0.145 -1.771
152 HA PRO 24 HA PRO 24 15.340 -3.206 -3.070
153 1HB PRO 24 1HB PRO 24 13.861 -4.872 -1.579
154 2HB PRO 24 2HB PRO 24 15.482 -5.316 -2.119
155 1HG PRO 24 1HG PRO 24 14.545 -4.664 0.583
156 2HG PRO 24 2HG PRO 24 16.027 -5.491 0.079
157 1HD PRO 24 1HD PRO 24 15.616 -2.685 0.756
158 2HD PRO 24 2HD PRO 24 17.135 -3.586 0.549
159 H ILE 25 H ILE 25 14.971 -0.742 -2.304
160 HA ILE 25 HA ILE 25 13.050 0.166 -0.710
161 HB ILE 25 HB ILE 25 13.708 0.915 -3.533
162 1HG1 ILE 25 1HG1 ILE 25 15.533 1.062 -1.999
163 2HG1 ILE 25 2HG1 ILE 25 14.933 2.700 -2.256
164 1HG2 ILE 25 1HG2 ILE 25 11.968 2.271 -1.486
165 2HG2 ILE 25 2HG2 ILE 25 12.755 3.169 -2.781
166 3HG2 ILE 25 3HG2 ILE 25 11.577 1.921 -3.167
167 1HD1 ILE 25 1HD1 ILE 25 13.484 2.288 -0.198
168 2HD1 ILE 25 2HD1 ILE 25 14.551 0.918 0.107
169 3HD1 ILE 25 3HD1 ILE 25 15.212 2.550 0.045
170 H LEU 26 H LEU 26 10.906 1.225 -1.754
171 HA LEU 26 HA LEU 26 9.347 -0.874 -3.029
172 1HB LEU 26 1HB LEU 26 8.101 0.298 -0.706
173 2HB LEU 26 2HB LEU 26 8.274 -1.396 -1.155
174 HG LEU 26 HG LEU 26 10.681 0.047 -0.287
175 1HD1 LEU 26 1HD1 LEU 26 8.424 0.246 1.281
176 2HD1 LEU 26 2HD1 LEU 26 9.279 -1.132 1.973
177 3HD1 LEU 26 3HD1 LEU 26 10.090 0.425 1.830
178 1HD2 LEU 26 1HD2 LEU 26 10.508 -2.394 -1.028
179 2HD2 LEU 26 2HD2 LEU 26 11.386 -2.065 0.465
180 3HD2 LEU 26 3HD2 LEU 26 9.737 -2.691 0.528
181 H GLN 27 H GLN 27 6.963 -0.024 -2.340
182 HA GLN 27 HA GLN 27 6.100 2.525 -2.513
183 1HB GLN 27 1HB GLN 27 7.071 3.300 -4.402
184 2HB GLN 27 2HB GLN 27 7.309 1.690 -5.063
185 1HG GLN 27 1HG GLN 27 4.524 2.226 -5.103
186 2HG GLN 27 2HG GLN 27 5.357 3.635 -5.752
187 2HE2 GLN 27 2HE2 GLN 27 4.467 3.173 -7.798
188 1HE2 GLN 27 1HE2 GLN 27 5.122 1.924 -8.795
189 H CYS 28 H CYS 28 4.331 1.733 -1.570
190 HA CYS 28 HA CYS 28 2.932 -0.535 -2.067
191 1HB CYS 28 1HB CYS 28 2.395 1.939 -0.660
192 2HB CYS 28 2HB CYS 28 0.928 1.274 -1.372
193 H MET 29 H MET 29 2.366 -1.203 -4.053
194 HA MET 29 HA MET 29 0.790 0.635 -5.738
195 1HB MET 29 1HB MET 29 3.082 -0.944 -6.349
196 2HB MET 29 2HB MET 29 1.719 -1.613 -7.234
197 1HG MET 29 1HG MET 29 2.168 1.327 -7.299
198 2HG MET 29 2HG MET 29 3.213 0.279 -8.258
199 1HE MET 29 1HE MET 29 2.774 0.242 -10.635
200 2HE MET 29 2HE MET 29 2.262 -1.385 -10.188
201 3HE MET 29 3HE MET 29 1.299 -0.438 -11.321
202 H GLY 30 H GLY 30 -0.220 -1.255 -7.523
203 1HA GLY 30 1HA GLY 30 -1.598 -3.279 -5.944
204 2HA GLY 30 2HA GLY 30 -1.659 -3.104 -7.690
205 H CYS 31 H CYS 31 -3.787 -3.413 -5.616
206 HA CYS 31 HA CYS 31 -5.204 -0.894 -5.661
207 1HB CYS 31 1HB CYS 31 -6.962 -2.900 -6.792
208 2HB CYS 31 2HB CYS 31 -6.604 -1.275 -7.366
209 H CYS 32 H CYS 32 -6.941 -0.823 -4.228
210 HA CYS 32 HA CYS 32 -7.025 -3.055 -2.329
211 1HB CYS 32 1HB CYS 32 -7.525 -0.118 -2.133
212 2HB CYS 32 2HB CYS 32 -8.376 -1.183 -1.019
213 H PHE 33 H PHE 33 -9.371 -2.842 -1.113
214 HA PHE 33 HA PHE 33 -11.478 -2.803 -3.139
215 1HB PHE 33 1HB PHE 33 -11.494 -5.101 -1.244
216 2HB PHE 33 2HB PHE 33 -12.147 -4.988 -2.874
217 HD1 PHE 33 HD1 PHE 33 -10.235 -4.602 -4.725
218 HD2 PHE 33 HD2 PHE 33 -9.696 -6.475 -0.941
219 HE1 PHE 33 HE1 PHE 33 -8.259 -5.781 -5.594
220 HE2 PHE 33 HE2 PHE 33 -7.719 -7.659 -1.804
221 HZ PHE 33 HZ PHE 33 -6.999 -7.313 -4.134
222 H SER 34 H SER 34 -10.889 -3.582 0.290
223 HA SER 34 HA SER 34 -12.528 -1.446 1.216
224 1HB SER 34 1HB SER 34 -14.416 -2.599 2.032
225 2HB SER 34 2HB SER 34 -14.191 -3.237 0.404
226 HG SER 34 HG SER 34 -13.772 -5.132 1.217
227 H ARG 35 H ARG 35 -13.219 -3.554 3.500
228 HA ARG 35 HA ARG 35 -10.682 -4.136 4.662
229 1HB ARG 35 1HB ARG 35 -10.566 -1.794 5.119
230 2HB ARG 35 2HB ARG 35 -12.230 -1.758 5.690
231 1HG ARG 35 1HG ARG 35 -11.097 -3.594 7.362
232 2HG ARG 35 2HG ARG 35 -9.773 -2.455 7.103
233 1HD ARG 35 1HD ARG 35 -11.313 -0.606 7.699
234 2HD ARG 35 2HD ARG 35 -12.555 -1.802 8.067
235 HE ARG 35 HE ARG 35 -10.520 -2.602 9.623
236 1HH1 ARG 35 1HH1 ARG 35 -11.996 0.511 9.120
237 2HH1 ARG 35 2HH1 ARG 35 -11.664 1.074 10.724
238 1HH2 ARG 35 1HH2 ARG 35 -10.073 -1.872 11.738
239 2HH2 ARG 35 2HH2 ARG 35 -10.571 -0.282 12.212
240 H ALA 36 H ALA 36 -11.359 -6.139 5.196
241 HA ALA 36 HA ALA 36 -12.447 -7.818 6.280
242 1HB ALA 36 1HB ALA 36 -13.300 -5.741 8.278
243 2HB ALA 36 3HB ALA 36 -11.659 -6.382 8.205
244 3HB ALA 36 2HB ALA 36 -13.014 -7.459 8.545
245 H TYR 37 H TYR 37 -14.524 -8.716 6.840
246 HA TYR 37 HA TYR 37 -16.605 -9.166 5.898
247 1HB TYR 37 1HB TYR 37 -17.259 -6.676 7.470
248 2HB TYR 37 2HB TYR 37 -18.282 -8.085 7.204
249 HD1 TYR 37 HD1 TYR 37 -15.653 -9.908 7.688
250 HD2 TYR 37 HD2 TYR 37 -17.763 -6.947 9.898
251 HE1 TYR 37 HE1 TYR 37 -14.837 -10.900 9.785
252 HE2 TYR 37 HE2 TYR 37 -16.952 -7.931 12.002
253 HH TYR 37 HH TYR 37 -16.136 -10.352 12.707
254 HA PRO 38 HA PRO 38 -16.442 -5.997 2.510
255 1HB PRO 38 1HB PRO 38 -16.739 -7.858 0.532
256 2HB PRO 38 2HB PRO 38 -15.175 -7.324 1.155
257 1HG PRO 38 1HG PRO 38 -16.738 -9.784 1.810
258 2HG PRO 38 2HG PRO 38 -14.991 -9.594 1.577
259 1HD PRO 38 1HD PRO 38 -16.114 -9.772 4.028
260 2HD PRO 38 2HD PRO 38 -14.666 -8.794 3.715
261 H THR 39 H THR 39 -18.575 -8.097 3.819
262 HA THR 39 HA THR 39 -20.819 -8.523 3.628
263 HB THR 39 HB THR 39 -22.200 -6.504 3.392
264 HG1 THR 39 HG1 THR 39 -21.491 -4.867 2.317
265 1HG2 THR 39 1HG2 THR 39 -19.737 -6.228 5.073
266 2HG2 THR 39 2HG2 THR 39 -21.020 -5.017 5.075
267 3HG2 THR 39 3HG2 THR 39 -21.370 -6.675 5.567
268 HA PRO 40 HA PRO 40 -20.890 -9.538 -0.799
269 1HB PRO 40 1HB PRO 40 -22.978 -11.390 0.195
270 2HB PRO 40 2HB PRO 40 -21.541 -11.733 -0.773
271 1HG PRO 40 1HG PRO 40 -21.658 -12.439 1.797
272 2HG PRO 40 2HG PRO 40 -20.151 -11.833 1.082
273 1HD PRO 40 1HD PRO 40 -22.135 -10.406 2.818
274 2HD PRO 40 2HD PRO 40 -20.359 -10.352 2.860
275 H LEU 41 H LEU 41 -23.210 -10.311 -1.986
276 HA LEU 41 HA LEU 41 -25.185 -9.564 -2.840
277 1HB LEU 41 1HB LEU 41 -25.371 -8.371 -0.084
278 2HB LEU 41 2HB LEU 41 -26.632 -8.153 -1.283
279 HG LEU 41 HG LEU 41 -25.727 -10.748 -0.046
280 1HD1 LEU 41 1HD1 LEU 41 -27.245 -9.284 1.273
281 2HD1 LEU 41 2HD1 LEU 41 -28.423 -9.403 -0.035
282 3HD1 LEU 41 3HD1 LEU 41 -27.942 -10.849 0.855
283 1HD2 LEU 41 1HD2 LEU 41 -27.706 -10.286 -2.274
284 2HD2 LEU 41 2HD2 LEU 41 -26.154 -11.114 -2.405
285 3HD2 LEU 41 3HD2 LEU 41 -27.447 -11.815 -1.433
286 H ARG 42 H ARG 42 -25.867 -7.879 -4.108
287 HA ARG 42 HA ARG 42 -24.321 -5.382 -3.872
288 1HB ARG 42 1HB ARG 42 -24.002 -7.058 -5.891
289 2HB ARG 42 2HB ARG 42 -25.457 -6.273 -6.487
290 1HG ARG 42 1HG ARG 42 -23.895 -4.144 -5.762
291 2HG ARG 42 2HG ARG 42 -22.713 -5.301 -6.375
292 1HD ARG 42 1HD ARG 42 -24.996 -5.256 -8.100
293 2HD ARG 42 2HD ARG 42 -24.420 -3.609 -7.848
294 HE ARG 42 HE ARG 42 -23.075 -5.725 -9.273
295 1HH1 ARG 42 1HH1 ARG 42 -22.722 -2.688 -7.607
296 2HH1 ARG 42 2HH1 ARG 42 -21.255 -2.261 -8.426
297 1HH2 ARG 42 1HH2 ARG 42 -21.145 -5.178 -10.355
298 2HH2 ARG 42 2HH2 ARG 42 -20.358 -3.678 -9.989
299 H SER 43 H SER 43 -26.243 -4.899 -2.423
300 HA SER 43 HA SER 43 -28.553 -4.011 -4.014
301 1HB SER 43 1HB SER 43 -29.841 -4.045 -1.948
302 2HB SER 43 2HB SER 43 -29.053 -5.605 -2.181
303 HG SER 43 HG SER 43 -28.798 -3.853 -0.147
304 H LYS 44 H LYS 44 -26.433 -2.397 -4.285
305 HA LYS 44 HA LYS 44 -26.979 -0.129 -2.483
306 1HB LYS 44 1HB LYS 44 -24.499 -1.263 -3.526
307 2HB LYS 44 2HB LYS 44 -24.620 0.468 -3.806
308 1HG LYS 44 1HG LYS 44 -24.133 0.905 -1.691
309 2HG LYS 44 2HG LYS 44 -25.420 -0.160 -1.122
310 1HD LYS 44 1HD LYS 44 -23.146 -1.643 -2.147
311 2HD LYS 44 2HD LYS 44 -22.694 -0.559 -0.829
312 1HE LYS 44 1HE LYS 44 -25.074 -1.731 0.006
313 2HE LYS 44 2HE LYS 44 -24.174 -3.044 -0.757
314 1HZ LYS 44 1HZ LYS 44 -22.243 -2.319 0.655
315 2HZ LYS 44 2HZ LYS 44 -23.322 -1.334 1.508
316 3HZ LYS 44 3HZ LYS 44 -23.538 -3.011 1.495
317 H LYS 45 H LYS 45 -28.575 0.930 -3.549
318 HA LYS 45 HA LYS 45 -28.288 1.467 -6.401
319 1HB LYS 45 1HB LYS 45 -30.593 2.753 -5.501
320 2HB LYS 45 2HB LYS 45 -30.504 1.204 -6.328
321 1HG LYS 45 1HG LYS 45 -31.790 0.809 -4.416
322 2HG LYS 45 2HG LYS 45 -30.193 0.163 -4.034
323 1HD LYS 45 1HD LYS 45 -29.689 2.352 -2.907
324 2HD LYS 45 2HD LYS 45 -31.390 2.774 -3.122
325 1HE LYS 45 1HE LYS 45 -32.038 0.799 -1.827
326 2HE LYS 45 2HE LYS 45 -30.339 0.383 -1.611
327 1HZ LYS 45 1HZ LYS 45 -30.376 2.892 -0.706
328 2HZ LYS 45 2HZ LYS 45 -31.935 2.401 -0.277
329 3HZ LYS 45 3HZ LYS 45 -30.591 1.538 0.284
330 H THR 46 H THR 46 -26.656 2.979 -6.511
331 HA THR 46 HA THR 46 -26.318 5.216 -4.891
332 HB THR 46 HB THR 46 -24.816 4.196 -6.775
333 HG1 THR 46 HG1 THR 46 -24.195 5.946 -5.461
334 1HG2 THR 46 1HG2 THR 46 -26.396 4.689 -8.616
335 2HG2 THR 46 2HG2 THR 46 -26.136 6.408 -8.324
336 3HG2 THR 46 3HG2 THR 46 -24.793 5.389 -8.844
337 H MET 47 H MET 47 -26.495 7.542 -5.774
338 HA MET 47 HA MET 47 -28.679 8.127 -7.528
339 1HB MET 47 1HB MET 47 -29.377 9.367 -5.008
340 2HB MET 47 2HB MET 47 -30.377 8.420 -6.100
341 1HG MET 47 1HG MET 47 -29.833 6.408 -5.038
342 2HG MET 47 2HG MET 47 -28.450 7.120 -4.210
343 1HE MET 47 1HE MET 47 -32.169 7.930 -4.783
344 2HE MET 47 2HE MET 47 -32.350 6.394 -3.938
345 3HE MET 47 3HE MET 47 -32.865 7.893 -3.164
346 H LEU 48 H LEU 48 -25.904 8.827 -7.277
347 HA LEU 48 HA LEU 48 -26.193 11.727 -7.316
348 1HB LEU 48 1HB LEU 48 -25.458 11.106 -5.023
349 2HB LEU 48 2HB LEU 48 -24.029 10.362 -5.716
350 HG LEU 48 HG LEU 48 -23.394 12.603 -6.641
351 1HD1 LEU 48 1HD1 LEU 48 -25.924 13.339 -6.231
352 2HD1 LEU 48 2HD1 LEU 48 -25.220 13.919 -4.721
353 3HD1 LEU 48 3HD1 LEU 48 -24.588 14.490 -6.266
354 1HD2 LEU 48 1HD2 LEU 48 -23.624 12.061 -3.706
355 2HD2 LEU 48 2HD2 LEU 48 -22.198 12.013 -4.744
356 3HD2 LEU 48 3HD2 LEU 48 -22.903 13.563 -4.285
357 H VAL 49 H VAL 49 -25.742 11.953 -9.435
358 HA VAL 49 HA VAL 49 -24.606 11.940 -11.409
359 HB VAL 49 HB VAL 49 -21.943 11.546 -10.253
360 1HG1 VAL 49 1HG1 VAL 49 -23.346 13.447 -12.062
361 2HG1 VAL 49 2HG1 VAL 49 -21.839 13.959 -11.304
362 3HG1 VAL 49 3HG1 VAL 49 -21.867 12.520 -12.323
363 1HG2 VAL 49 1HG2 VAL 49 -23.884 13.338 -8.941
364 2HG2 VAL 49 2HG2 VAL 49 -22.424 12.583 -8.303
365 3HG2 VAL 49 3HG2 VAL 49 -22.304 14.035 -9.298
366 H GLN 50 H GLN 50 -24.703 10.277 -12.755
367 HA GLN 50 HA GLN 50 -23.679 7.673 -11.906
368 1HB GLN 50 1HB GLN 50 -24.848 7.255 -14.350
369 2HB GLN 50 2HB GLN 50 -25.648 7.065 -12.797
370 1HG GLN 50 1HG GLN 50 -26.368 9.453 -12.972
371 2HG GLN 50 2HG GLN 50 -25.731 9.457 -14.616
372 2HE2 GLN 50 2HE2 GLN 50 -28.491 9.726 -13.461
373 1HE2 GLN 50 1HE2 GLN 50 -29.436 8.563 -14.322
374 H LYS 51 H LYS 51 -21.781 9.671 -12.574
375 HA LYS 51 HA LYS 51 -20.633 8.525 -15.034
376 1HB LYS 51 1HB LYS 51 -19.590 11.146 -14.272
377 2HB LYS 51 2HB LYS 51 -20.131 10.564 -15.838
378 1HG LYS 51 1HG LYS 51 -22.364 10.958 -14.053
379 2HG LYS 51 2HG LYS 51 -21.396 12.423 -14.207
380 1HD LYS 51 1HD LYS 51 -22.031 12.753 -16.334
381 2HD LYS 51 2HD LYS 51 -21.874 11.043 -16.742
382 1HE LYS 51 1HE LYS 51 -24.028 10.564 -15.790
383 2HE LYS 51 2HE LYS 51 -24.170 12.211 -15.177
384 1HZ LYS 51 1HZ LYS 51 -23.806 12.679 -17.768
385 2HZ LYS 51 2HZ LYS 51 -24.596 11.185 -17.861
386 3HZ LYS 51 3HZ LYS 51 -25.333 12.485 -17.067
387 H ASN 52 H ASN 52 -20.344 7.643 -12.249
388 HA ASN 52 HA ASN 52 -18.624 6.641 -11.106
389 1HB ASN 52 1HB ASN 52 -16.592 8.269 -12.610
390 2HB ASN 52 2HB ASN 52 -16.414 6.674 -11.885
391 2HD2 ASN 52 2HD2 ASN 52 -16.043 7.823 -14.662
392 1HD2 ASN 52 1HD2 ASN 52 -16.893 6.720 -15.685
393 H VAL 53 H VAL 53 -19.345 7.723 -9.260
394 HA VAL 53 HA VAL 53 -18.946 10.336 -8.519
395 HB VAL 53 HB VAL 53 -19.333 9.723 -6.289
396 1HG1 VAL 53 1HG1 VAL 53 -21.116 9.062 -7.966
397 2HG1 VAL 53 2HG1 VAL 53 -20.549 7.403 -7.764
398 3HG1 VAL 53 3HG1 VAL 53 -21.199 8.287 -6.384
399 1HG2 VAL 53 1HG2 VAL 53 -17.894 7.217 -7.017
400 2HG2 VAL 53 2HG2 VAL 53 -17.681 8.279 -5.626
401 3HG2 VAL 53 3HG2 VAL 53 -19.057 7.178 -5.692
402 H THR 54 H THR 54 -17.488 10.599 -6.275
403 HA THR 54 HA THR 54 -14.800 10.736 -7.302
404 HB THR 54 HB THR 54 -14.295 12.022 -5.346
405 HG1 THR 54 HG1 THR 54 -15.149 11.278 -3.583
406 1HG2 THR 54 1HG2 THR 54 -16.406 12.730 -7.019
407 2HG2 THR 54 2HG2 THR 54 -16.949 13.105 -5.384
408 3HG2 THR 54 3HG2 THR 54 -15.444 13.793 -5.994
409 H SER 55 H SER 55 -13.524 10.462 -4.690
410 HA SER 55 HA SER 55 -13.523 7.522 -4.511
411 1HB SER 55 1HB SER 55 -11.222 9.291 -3.697
412 2HB SER 55 2HB SER 55 -11.203 7.565 -4.061
413 HG SER 55 HG SER 55 -10.804 9.615 -5.717
414 H GLU 56 H GLU 56 -14.552 6.850 -2.748
415 HA GLU 56 HA GLU 56 -13.847 8.022 -0.175
416 1HB GLU 56 1HB GLU 56 -16.482 7.765 0.280
417 2HB GLU 56 2HB GLU 56 -15.742 9.269 -0.248
418 1HG GLU 56 1HG GLU 56 -17.588 9.027 -1.634
419 2HG GLU 56 2HG GLU 56 -16.237 8.475 -2.621
420 H SER 57 H SER 57 -12.743 5.852 -0.379
421 HA SER 57 HA SER 57 -14.371 3.882 1.004
422 1HB SER 57 1HB SER 57 -13.280 2.117 -0.624
423 2HB SER 57 2HB SER 57 -14.776 2.939 -1.067
424 HG SER 57 HG SER 57 -12.367 4.155 -1.773
425 H THR 58 H THR 58 -11.476 2.895 -0.612
426 HA THR 58 HA THR 58 -10.083 2.859 1.978
427 HB THR 58 HB THR 58 -8.584 1.196 0.565
428 HG1 THR 58 HG1 THR 58 -9.437 0.549 -1.228
429 1HG2 THR 58 1HG2 THR 58 -10.493 0.811 2.465
430 2HG2 THR 58 2HG2 THR 58 -11.100 -0.162 1.126
431 3HG2 THR 58 3HG2 THR 58 -9.482 -0.452 1.762
432 H CYS 59 H CYS 59 -7.508 2.574 1.299
433 HA CYS 59 HA CYS 59 -6.386 3.998 -0.739
434 1HB CYS 59 1HB CYS 59 -5.841 6.152 0.749
435 2HB CYS 59 2HB CYS 59 -7.221 6.082 -0.339
436 H CYS 60 H CYS 60 -4.483 3.053 -0.684
437 HA CYS 60 HA CYS 60 -3.244 2.247 1.779
438 1HB CYS 60 1HB CYS 60 -1.662 2.195 -0.726
439 2HB CYS 60 2HB CYS 60 -1.877 0.948 0.497
440 H VAL 61 H VAL 61 -2.128 3.583 3.021
441 HA VAL 61 HA VAL 61 -0.364 5.558 1.748
442 HB VAL 61 HB VAL 61 -2.058 6.120 4.186
443 1HG1 VAL 61 1HG1 VAL 61 0.356 7.212 3.519
444 2HG1 VAL 61 2HG1 VAL 61 -0.780 8.343 2.783
445 3HG1 VAL 61 3HG1 VAL 61 -0.877 7.995 4.508
446 1HG2 VAL 61 1HG2 VAL 61 -2.456 6.666 1.297
447 2HG2 VAL 61 2HG2 VAL 61 -3.640 6.337 2.563
448 3HG2 VAL 61 3HG2 VAL 61 -2.903 7.935 2.439
449 H ALA 62 H ALA 62 1.102 3.701 2.217
450 HA ALA 62 HA ALA 62 2.119 2.336 3.984
451 1HB ALA 62 1HB ALA 62 3.952 4.638 3.970
452 2HB ALA 62 3HB ALA 62 4.241 2.947 3.559
453 3HB ALA 62 2HB ALA 62 3.470 4.020 2.391
454 H LYS 63 H LYS 63 1.364 2.113 5.999
455 HA LYS 63 HA LYS 63 0.735 4.118 7.817
456 1HB LYS 63 1HB LYS 63 0.258 1.576 7.905
457 2HB LYS 63 2HB LYS 63 1.848 1.448 8.648
458 1HG LYS 63 1HG LYS 63 1.070 3.097 10.368
459 2HG LYS 63 2HG LYS 63 -0.550 2.928 9.689
460 1HD LYS 63 1HD LYS 63 0.561 0.332 10.143
461 2HD LYS 63 2HD LYS 63 0.709 1.296 11.616
462 1HE LYS 63 1HE LYS 63 -1.866 1.751 10.496
463 2HE LYS 63 2HE LYS 63 -1.592 0.009 10.566
464 1HZ LYS 63 1HZ LYS 63 -0.701 1.145 12.965
465 2HZ LYS 63 2HZ LYS 63 -2.255 1.739 12.658
466 3HZ LYS 63 3HZ LYS 63 -1.984 0.070 12.728
467 H SER 64 H SER 64 3.700 2.418 7.137
468 HA SER 64 HA SER 64 5.177 4.506 8.518
469 1HB SER 64 1HB SER 64 5.387 1.561 9.118
470 2HB SER 64 2HB SER 64 6.752 2.644 9.396
471 HG SER 64 HG SER 64 4.157 3.054 10.463
472 H TYR 65 H TYR 65 6.514 5.328 7.101
473 HA TYR 65 HA TYR 65 7.476 3.639 4.894
474 1HB TYR 65 1HB TYR 65 8.085 6.021 3.995
475 2HB TYR 65 2HB TYR 65 6.430 5.425 3.898
476 HD1 TYR 65 HD1 TYR 65 8.706 7.634 5.780
477 HD2 TYR 65 HD2 TYR 65 4.662 6.523 5.069
478 HE1 TYR 65 HE1 TYR 65 7.950 9.611 7.030
479 HE2 TYR 65 HE2 TYR 65 3.894 8.499 6.316
480 HH TYR 65 HH TYR 65 4.518 10.190 7.656
481 H ASN 66 H ASN 66 9.584 4.082 4.031
482 HA ASN 66 HA ASN 66 11.463 5.161 6.019
483 1HB ASN 66 1HB ASN 66 11.309 2.435 5.199
484 2HB ASN 66 2HB ASN 66 12.794 3.125 4.552
485 2HD2 ASN 66 2HD2 ASN 66 13.890 1.659 5.959
486 1HD2 ASN 66 1HD2 ASN 66 14.114 2.064 7.623
487 H ARG 67 H ARG 67 10.137 6.139 3.793
488 HA ARG 67 HA ARG 67 10.824 6.539 1.400
489 1HB ARG 67 1HB ARG 67 11.232 9.054 1.813
490 2HB ARG 67 2HB ARG 67 9.699 8.356 2.315
491 1HG ARG 67 1HG ARG 67 10.271 8.382 4.552
492 2HG ARG 67 2HG ARG 67 11.993 8.552 4.205
493 1HD ARG 67 1HD ARG 67 11.852 10.781 4.160
494 2HD ARG 67 2HD ARG 67 10.460 10.731 3.082
495 HE ARG 67 HE ARG 67 10.145 10.330 5.978
496 1HH1 ARG 67 1HH1 ARG 67 9.371 12.058 3.046
497 2HH1 ARG 67 2HH1 ARG 67 8.092 12.968 3.774
498 1HH2 ARG 67 1HH2 ARG 67 8.475 11.533 6.938
499 2HH2 ARG 67 2HH2 ARG 67 7.583 12.672 5.986
500 H VAL 68 H VAL 68 12.489 6.147 0.233
501 HA VAL 68 HA VAL 68 15.167 6.978 1.131
502 HB VAL 68 HB VAL 68 16.147 5.090 0.091
503 1HG1 VAL 68 1HG1 VAL 68 14.332 4.796 2.146
504 2HG1 VAL 68 2HG1 VAL 68 13.917 3.495 1.036
505 3HG1 VAL 68 3HG1 VAL 68 15.555 3.627 1.665
506 1HG2 VAL 68 1HG2 VAL 68 14.218 5.281 -1.801
507 2HG2 VAL 68 2HG2 VAL 68 15.288 3.898 -1.615
508 3HG2 VAL 68 3HG2 VAL 68 13.669 3.858 -0.926
509 H THR 69 H THR 69 13.689 8.793 -0.176
510 HA THR 69 HA THR 69 13.254 9.258 -2.631
511 HB THR 69 HB THR 69 15.345 10.767 -1.095
512 HG1 THR 69 HG1 THR 69 12.794 11.619 -1.945
513 1HG2 THR 69 1HG2 THR 69 14.725 10.990 -3.923
514 2HG2 THR 69 2HG2 THR 69 14.482 12.494 -3.034
515 3HG2 THR 69 3HG2 THR 69 16.051 11.686 -2.991
516 H VAL 70 H VAL 70 13.836 8.494 -4.496
517 HA VAL 70 HA VAL 70 16.623 7.656 -4.931
518 HB VAL 70 HB VAL 70 14.848 6.842 -7.026
519 1HG1 VAL 70 1HG1 VAL 70 16.960 5.758 -5.353
520 2HG1 VAL 70 2HG1 VAL 70 15.710 4.572 -5.726
521 3HG1 VAL 70 3HG1 VAL 70 16.551 5.408 -7.032
522 1HG2 VAL 70 1HG2 VAL 70 13.887 6.458 -4.253
523 2HG2 VAL 70 2HG2 VAL 70 12.982 6.567 -5.764
524 3HG2 VAL 70 3HG2 VAL 70 13.792 5.062 -5.327
525 H MET 71 H MET 71 16.511 7.392 -7.625
526 HA MET 71 HA MET 71 17.572 9.548 -8.683
527 1HB MET 71 1HB MET 71 15.892 8.798 -10.769
528 2HB MET 71 2HB MET 71 17.506 8.185 -10.443
529 1HG MET 71 1HG MET 71 15.292 6.942 -8.937
530 2HG MET 71 2HG MET 71 15.359 6.617 -10.668
531 1HE MET 71 1HE MET 71 18.151 6.415 -11.578
532 2HE MET 71 2HE MET 71 18.702 4.792 -11.160
533 3HE MET 71 3HE MET 71 17.079 5.033 -11.809
534 H GLY 72 H GLY 72 16.936 11.420 -9.863
535 1HA GLY 72 1HA GLY 72 14.401 12.344 -10.362
536 2HA GLY 72 2HA GLY 72 15.759 13.395 -9.983
537 H GLY 73 H GLY 73 15.880 11.904 -7.298
538 1HA GLY 73 1HA GLY 73 14.371 13.825 -5.833
539 2HA GLY 73 2HA GLY 73 15.242 12.456 -5.158
540 H PHE 74 H PHE 74 13.784 10.532 -6.837
541 HA PHE 74 HA PHE 74 11.038 10.625 -6.586
542 1HB PHE 74 1HB PHE 74 12.982 8.329 -6.592
543 2HB PHE 74 2HB PHE 74 11.253 8.045 -6.408
544 HD1 PHE 74 HD1 PHE 74 12.153 10.896 -8.396
545 HD2 PHE 74 HD2 PHE 74 11.459 6.698 -8.518
546 HE1 PHE 74 HE1 PHE 74 11.869 11.018 -10.836
547 HE2 PHE 74 HE2 PHE 74 11.174 6.814 -10.960
548 HZ PHE 74 HZ PHE 74 11.379 8.976 -12.122
549 H LYS 75 H LYS 75 9.992 8.682 -5.129
550 HA LYS 75 HA LYS 75 10.935 8.721 -2.411
551 1HB LYS 75 1HB LYS 75 8.739 10.505 -3.302
552 2HB LYS 75 2HB LYS 75 8.488 9.640 -1.790
553 1HG LYS 75 1HG LYS 75 10.873 10.529 -1.219
554 2HG LYS 75 2HG LYS 75 10.510 11.719 -2.470
555 1HD LYS 75 1HD LYS 75 8.843 11.161 -0.018
556 2HD LYS 75 2HD LYS 75 9.911 12.547 -0.252
557 1HE LYS 75 1HE LYS 75 8.351 13.649 -1.393
558 2HE LYS 75 2HE LYS 75 8.077 12.272 -2.459
559 1HZ LYS 75 1HZ LYS 75 6.906 12.490 0.256
560 2HZ LYS 75 2HZ LYS 75 6.105 12.995 -1.146
561 3HZ LYS 75 3HZ LYS 75 6.515 11.367 -0.945
562 H VAL 76 H VAL 76 10.548 6.792 -1.639
563 HA VAL 76 HA VAL 76 8.196 5.288 -2.543
564 HB VAL 76 HB VAL 76 9.560 3.185 -1.970
565 1HG1 VAL 76 1HG1 VAL 76 9.483 4.545 -4.290
566 2HG1 VAL 76 2HG1 VAL 76 11.199 4.737 -3.929
567 3HG1 VAL 76 3HG1 VAL 76 10.498 3.127 -4.052
568 1HG2 VAL 76 1HG2 VAL 76 11.183 5.255 -0.850
569 2HG2 VAL 76 2HG2 VAL 76 11.426 3.513 -0.789
570 3HG2 VAL 76 3HG2 VAL 76 12.122 4.458 -2.106
571 H GLU 77 H GLU 77 9.014 7.060 -0.213
572 HA GLU 77 HA GLU 77 9.052 6.894 2.148
573 1HB GLU 77 1HB GLU 77 6.462 5.650 2.305
574 2HB GLU 77 2HB GLU 77 6.879 7.331 2.600
575 1HG GLU 77 1HG GLU 77 6.654 6.475 -0.219
576 2HG GLU 77 2HG GLU 77 5.166 6.557 0.720
577 H ASN 78 H ASN 78 10.354 4.870 0.927
578 HA ASN 78 HA ASN 78 10.261 2.454 0.766
579 1HB ASN 78 1HB ASN 78 12.374 3.476 1.681
580 2HB ASN 78 2HB ASN 78 11.750 3.121 3.291
581 H HIS 79 H HIS 79 8.013 2.362 1.185
582 HA HIS 79 HA HIS 79 6.652 2.289 3.428
583 1HB HIS 79 1HB HIS 79 6.372 0.395 1.118
584 2HB HIS 79 2HB HIS 79 5.154 0.593 2.385
585 HD1 HIS 79 HD1 HIS 79 3.900 1.434 -0.033
586 HD2 HIS 79 HD2 HIS 79 6.616 3.899 1.875
587 HE1 HIS 79 HE1 HIS 79 3.512 3.758 -0.961
588 H THR 80 H THR 80 6.767 1.482 5.237
589 HA THR 80 HA THR 80 8.006 -1.160 5.649
590 HB THR 80 HB THR 80 8.875 -0.409 7.646
591 HG1 THR 80 HG1 THR 80 6.565 1.165 7.740
592 1HG2 THR 80 1HG2 THR 80 9.285 1.302 5.595
593 2HG2 THR 80 2HG2 THR 80 8.631 2.393 6.815
594 3HG2 THR 80 3HG2 THR 80 10.066 1.431 7.169
595 H ALA 81 H ALA 81 5.136 0.648 5.759
596 HA ALA 81 HA ALA 81 3.570 -1.611 6.536
597 1HB ALA 81 1HB ALA 81 4.217 -0.792 8.760
598 2HB ALA 81 3HB ALA 81 3.586 0.804 8.354
599 3HB ALA 81 2HB ALA 81 2.490 -0.574 8.471
600 H CYS 82 H CYS 82 1.550 -1.421 5.613
601 HA CYS 82 HA CYS 82 0.829 1.232 4.550
602 1HB CYS 82 1HB CYS 82 1.451 -1.103 3.066
603 2HB CYS 82 2HB CYS 82 -0.282 -0.842 2.910
604 H HIS 83 H HIS 83 -1.312 1.826 4.679
605 HA HIS 83 HA HIS 83 -3.198 -0.137 5.765
606 1HB HIS 83 1HB HIS 83 -4.053 1.567 7.362
607 2HB HIS 83 2HB HIS 83 -2.406 1.053 7.703
608 HD1 HIS 83 HD1 HIS 83 -4.041 3.899 8.245
609 HD2 HIS 83 HD2 HIS 83 -0.813 3.140 5.742
610 HE1 HIS 83 HE1 HIS 83 -2.908 6.119 7.916
611 HE2 HIS 83 HE2 HIS 83 -0.884 5.608 6.506
612 H CYS 84 H CYS 84 -4.828 -0.258 4.398
613 HA CYS 84 HA CYS 84 -5.553 2.021 2.719
614 1HB CYS 84 1HB CYS 84 -5.516 -0.750 2.336
615 2HB CYS 84 2HB CYS 84 -7.224 -0.331 2.414
616 H SER 85 H SER 85 -7.355 3.215 2.979
617 HA SER 85 HA SER 85 -9.582 3.625 3.595
618 1HB SER 85 1HB SER 85 -9.732 1.132 4.243
619 2HB SER 85 2HB SER 85 -9.316 1.670 5.870
620 HG SER 85 HG SER 85 -11.249 3.235 4.908
621 H THR 86 H THR 86 -6.822 4.428 4.670
622 HA THR 86 HA THR 86 -7.604 5.545 7.259
623 HB THR 86 HB THR 86 -5.416 4.471 7.155
624 HG1 THR 86 HG1 THR 86 -5.868 6.853 8.062
625 1HG2 THR 86 1HG2 THR 86 -5.191 5.717 4.639
626 2HG2 THR 86 2HG2 THR 86 -3.930 6.389 5.675
627 3HG2 THR 86 3HG2 THR 86 -4.041 4.643 5.439
628 H CYS 87 H CYS 87 -8.843 6.498 4.852
629 HA CYS 87 HA CYS 87 -7.643 9.053 4.234
630 1HB CYS 87 1HB CYS 87 -10.070 7.562 3.299
631 2HB CYS 87 2HB CYS 87 -9.911 9.281 2.954
632 H TYR 88 H TYR 88 -7.870 9.358 6.763
633 HA TYR 88 HA TYR 88 -10.341 10.903 7.189
634 1HB TYR 88 1HB TYR 88 -8.923 8.999 9.011
635 2HB TYR 88 2HB TYR 88 -9.790 10.364 9.704
636 HD1 TYR 88 HD1 TYR 88 -11.708 9.898 6.997
637 HD2 TYR 88 HD2 TYR 88 -10.627 7.768 10.519
638 HE1 TYR 88 HE1 TYR 88 -13.809 8.633 6.870
639 HE2 TYR 88 HE2 TYR 88 -12.724 6.492 10.396
640 HH TYR 88 HH TYR 88 -15.313 7.377 8.601
641 H TYR 89 H TYR 89 -9.984 12.997 7.442
642 HA TYR 89 HA TYR 89 -7.666 14.355 7.300
643 1HB TYR 89 1HB TYR 89 -10.127 15.026 8.909
644 2HB TYR 89 2HB TYR 89 -8.792 16.156 8.717
645 HD1 TYR 89 HD1 TYR 89 -8.768 14.444 5.755
646 HD2 TYR 89 HD2 TYR 89 -11.171 17.255 7.860
647 HE1 TYR 89 HE1 TYR 89 -9.730 15.209 3.624
648 HE2 TYR 89 HE2 TYR 89 -12.137 18.028 5.735
649 HH TYR 89 HH TYR 89 -11.050 17.864 3.049
650 H HIS 90 H HIS 90 -6.371 15.534 8.904
651 HA HIS 90 HA HIS 90 -5.768 13.799 11.185
652 1HB HIS 90 1HB HIS 90 -3.910 14.286 9.673
653 2HB HIS 90 2HB HIS 90 -4.145 16.014 9.915
654 HD1 HIS 90 HD1 HIS 90 -4.207 13.559 12.763
655 HD2 HIS 90 HD2 HIS 90 -1.684 16.425 11.121
656 HE1 HIS 90 HE1 HIS 90 -2.359 13.871 14.442
657 HE2 HIS 90 HE2 HIS 90 -0.807 15.559 13.396
658 H LYS 91 H LYS 91 -7.871 14.855 12.044
659 HA LYS 91 HA LYS 91 -7.203 17.361 13.438
660 1HB LYS 91 1HB LYS 91 -9.423 16.773 11.907
661 2HB LYS 91 2HB LYS 91 -10.001 16.508 13.547
662 1HG LYS 91 1HG LYS 91 -10.408 18.795 12.732
663 2HG LYS 91 2HG LYS 91 -9.399 18.749 14.178
664 1HD LYS 91 1HD LYS 91 -7.660 19.682 13.117
665 2HD LYS 91 2HD LYS 91 -7.858 18.644 11.704
666 1HE LYS 91 1HE LYS 91 -8.536 20.475 10.626
667 2HE LYS 91 2HE LYS 91 -10.027 20.338 11.557
668 1HZ LYS 91 1HZ LYS 91 -8.112 21.621 13.145
669 2HZ LYS 91 2HZ LYS 91 -8.121 22.383 11.634
670 3HZ LYS 91 3HZ LYS 91 -9.552 22.256 12.525
671 H SER 92 H SER 92 -6.221 16.656 15.271
672 HA SER 92 HA SER 92 -7.321 14.458 16.802
673 1HB SER 92 1HB SER 92 -5.328 14.422 17.924
674 2HB SER 92 2HB SER 92 -4.789 15.287 16.485
675 HG SER 92 HG SER 92 -4.166 16.683 17.956
No H/Q in entry = 675
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 -17.739 1.981 -15.887
2 H2 ALA 1 H2 ALA 1 -17.010 3.524 -15.710
3 H3 ALA 1 H3 ALA 1 -16.227 2.307 -16.630
4 HA ALA 1 HA ALA 1 -15.123 2.391 -14.626
5 1HB ALA 1 3HB ALA 1 -17.051 3.646 -13.518
6 2HB ALA 1 2HB ALA 1 -17.707 2.055 -13.132
7 3HB ALA 1 1HB ALA 1 -16.127 2.531 -12.512
8 HA PRO 2 HA PRO 2 -14.590 -1.955 -14.523
9 1HB PRO 2 1HB PRO 2 -14.422 -2.286 -11.717
10 2HB PRO 2 2HB PRO 2 -13.083 -2.069 -12.844
11 1HG PRO 2 1HG PRO 2 -14.441 -0.076 -11.110
12 2HG PRO 2 2HG PRO 2 -12.753 -0.139 -11.647
13 1HD PRO 2 1HD PRO 2 -14.486 1.616 -12.693
14 2HD PRO 2 2HD PRO 2 -13.243 0.839 -13.698
15 H ASP 3 H ASP 3 -15.472 -3.982 -13.484
16 HA ASP 3 HA ASP 3 -18.303 -3.595 -12.756
17 1HB ASP 3 1HB ASP 3 -17.084 -5.845 -14.372
18 2HB ASP 3 2HB ASP 3 -18.778 -5.727 -13.904
19 H VAL 4 H VAL 4 -15.637 -5.954 -12.556
20 HA VAL 4 HA VAL 4 -16.583 -6.639 -9.850
21 HB VAL 4 HB VAL 4 -15.790 -8.938 -10.199
22 1HG1 VAL 4 1HG1 VAL 4 -17.981 -7.710 -11.701
23 2HG1 VAL 4 2HG1 VAL 4 -17.485 -9.293 -12.301
24 3HG1 VAL 4 3HG1 VAL 4 -17.983 -9.103 -10.620
25 1HG2 VAL 4 1HG2 VAL 4 -14.067 -8.482 -11.870
26 2HG2 VAL 4 2HG2 VAL 4 -15.188 -9.720 -12.436
27 3HG2 VAL 4 3HG2 VAL 4 -15.312 -8.072 -13.049
28 H GLN 5 H GLN 5 -14.213 -8.517 -9.688
29 HA GLN 5 HA GLN 5 -12.248 -6.451 -8.994
30 1HB GLN 5 1HB GLN 5 -12.272 -9.334 -8.101
31 2HB GLN 5 2HB GLN 5 -11.316 -8.018 -7.436
32 1HG GLN 5 1HG GLN 5 -12.906 -7.811 -5.906
33 2HG GLN 5 2HG GLN 5 -13.900 -7.109 -7.181
34 2HE2 GLN 5 2HE2 GLN 5 -15.788 -7.874 -6.217
35 1HE2 GLN 5 1HE2 GLN 5 -16.234 -9.541 -6.278
36 H ASP 6 H ASP 6 -10.187 -6.467 -9.764
37 HA ASP 6 HA ASP 6 -9.107 -8.691 -11.215
38 1HB ASP 6 1HB ASP 6 -8.771 -6.851 -13.208
39 2HB ASP 6 2HB ASP 6 -10.001 -8.111 -13.205
40 H CYS 7 H CYS 7 -6.991 -7.823 -12.417
41 HA CYS 7 HA CYS 7 -4.865 -7.089 -12.095
42 1HB CYS 7 1HB CYS 7 -4.755 -4.852 -12.249
43 2HB CYS 7 2HB CYS 7 -6.506 -4.852 -12.094
44 HA PRO 8 HA PRO 8 -3.457 -8.395 -8.145
45 1HB PRO 8 1HB PRO 8 -1.265 -6.706 -7.844
46 2HB PRO 8 2HB PRO 8 -1.256 -8.249 -8.703
47 1HG PRO 8 1HG PRO 8 -1.500 -5.477 -9.783
48 2HG PRO 8 2HG PRO 8 -0.630 -6.870 -10.451
49 1HD PRO 8 1HD PRO 8 -2.987 -6.093 -11.458
50 2HD PRO 8 2HD PRO 8 -2.565 -7.814 -11.328
51 H GLU 9 H GLU 9 -2.234 -6.997 -6.145
52 HA GLU 9 HA GLU 9 -4.234 -4.947 -5.459
53 1HB GLU 9 1HB GLU 9 -4.102 -7.270 -4.202
54 2HB GLU 9 2HB GLU 9 -2.806 -6.466 -3.326
55 1HG GLU 9 1HG GLU 9 -4.514 -5.882 -1.978
56 2HG GLU 9 2HG GLU 9 -4.659 -4.566 -3.140
57 H CYS 10 H CYS 10 -3.522 -3.342 -3.877
58 HA CYS 10 HA CYS 10 -1.183 -2.053 -4.711
59 1HB CYS 10 1HB CYS 10 -3.147 -0.920 -3.701
60 2HB CYS 10 2HB CYS 10 -2.709 -1.605 -2.140
61 H THR 11 H THR 11 0.849 -2.301 -4.195
62 HA THR 11 HA THR 11 1.654 -3.217 -1.565
63 HB THR 11 HB THR 11 1.542 -5.348 -2.542
64 HG1 THR 11 HG1 THR 11 3.487 -5.561 -1.790
65 1HG2 THR 11 1HG2 THR 11 2.433 -4.018 -5.037
66 2HG2 THR 11 2HG2 THR 11 2.864 -5.709 -4.779
67 3HG2 THR 11 3HG2 THR 11 1.170 -5.222 -4.782
68 H LEU 12 H LEU 12 4.366 -3.824 -2.852
69 HA LEU 12 HA LEU 12 5.106 -1.032 -3.396
70 1HB LEU 12 1HB LEU 12 6.362 -3.041 -1.592
71 2HB LEU 12 2HB LEU 12 7.386 -1.858 -2.389
72 HG LEU 12 HG LEU 12 6.309 -0.044 -1.309
73 1HD1 LEU 12 1HD1 LEU 12 4.217 -2.063 -0.588
74 2HD1 LEU 12 2HD1 LEU 12 4.386 -0.543 0.292
75 3HD1 LEU 12 3HD1 LEU 12 4.035 -0.529 -1.436
76 1HD2 LEU 12 1HD2 LEU 12 7.079 -2.371 0.353
77 2HD2 LEU 12 2HD2 LEU 12 7.789 -0.761 0.254
78 3HD2 LEU 12 3HD2 LEU 12 6.301 -1.013 1.166
79 H GLN 13 H GLN 13 6.446 -0.628 -5.036
80 HA GLN 13 HA GLN 13 7.033 -2.860 -6.809
81 1HB GLN 13 1HB GLN 13 7.278 0.079 -7.302
82 2HB GLN 13 2HB GLN 13 7.382 -1.202 -8.506
83 1HG GLN 13 1HG GLN 13 4.958 -1.524 -7.110
84 2HG GLN 13 2HG GLN 13 5.097 0.174 -7.560
85 2HE2 GLN 13 2HE2 GLN 13 5.057 -3.110 -8.767
86 1HE2 GLN 13 1HE2 GLN 13 4.622 -2.716 -10.393
87 H GLU 14 H GLU 14 8.542 -2.821 -4.657
88 HA GLU 14 HA GLU 14 10.724 -1.906 -3.930
89 1HB GLU 14 1HB GLU 14 10.496 -4.339 -3.889
90 2HB GLU 14 2HB GLU 14 11.022 -4.410 -5.565
91 1HG GLU 14 1HG GLU 14 13.145 -3.237 -4.753
92 2HG GLU 14 2HG GLU 14 12.610 -3.688 -3.134
93 H ASN 15 H ASN 15 11.987 -0.459 -4.565
94 HA ASN 15 HA ASN 15 12.327 0.483 -7.117
95 1HB ASN 15 1HB ASN 15 13.047 1.327 -4.642
96 2HB ASN 15 2HB ASN 15 14.606 0.996 -5.389
97 2HD2 ASN 15 2HD2 ASN 15 11.748 2.911 -5.467
98 1HD2 ASN 15 1HD2 ASN 15 12.324 4.105 -6.572
99 HA PRO 16 HA PRO 16 15.233 -2.700 -8.497
100 1HB PRO 16 1HB PRO 16 14.793 -2.365 -11.130
101 2HB PRO 16 2HB PRO 16 13.647 -3.253 -10.115
102 1HG PRO 16 1HG PRO 16 13.518 -0.420 -11.083
103 2HG PRO 16 2HG PRO 16 12.231 -1.638 -11.012
104 1HD PRO 16 1HD PRO 16 12.553 0.331 -9.140
105 2HD PRO 16 2HD PRO 16 11.815 -1.244 -8.790
106 H PHE 17 H PHE 17 15.271 0.441 -8.204
107 HA PHE 17 HA PHE 17 17.582 1.012 -9.909
108 1HB PHE 17 1HB PHE 17 15.422 2.458 -9.843
109 2HB PHE 17 2HB PHE 17 16.035 3.026 -8.293
110 HD1 PHE 17 HD1 PHE 17 18.971 2.529 -9.641
111 HD2 PHE 17 HD2 PHE 17 15.540 4.919 -10.409
112 HE1 PHE 17 HE1 PHE 17 20.386 4.172 -10.812
113 HE2 PHE 17 HE2 PHE 17 16.944 6.570 -11.585
114 HZ PHE 17 HZ PHE 17 19.371 6.195 -11.786
115 H PHE 18 H PHE 18 16.373 1.820 -6.674
116 HA PHE 18 HA PHE 18 19.008 2.366 -5.676
117 1HB PHE 18 1HB PHE 18 16.487 2.128 -4.050
118 2HB PHE 18 2HB PHE 18 17.919 3.096 -3.706
119 HD1 PHE 18 HD1 PHE 18 18.481 4.574 -6.000
120 HD2 PHE 18 HD2 PHE 18 14.666 3.471 -4.499
121 HE1 PHE 18 HE1 PHE 18 17.482 6.500 -7.156
122 HE2 PHE 18 HE2 PHE 18 13.653 5.399 -5.649
123 HZ PHE 18 HZ PHE 18 15.061 6.917 -6.978
124 H SER 19 H SER 19 17.451 -0.475 -6.242
125 HA SER 19 HA SER 19 17.659 -2.023 -3.978
126 1HB SER 19 1HB SER 19 16.730 -2.978 -5.973
127 2HB SER 19 2HB SER 19 18.239 -2.748 -6.856
128 HG SER 19 HG SER 19 19.198 -4.279 -5.456
129 H GLN 20 H GLN 20 19.379 -1.509 -2.661
130 HA GLN 20 HA GLN 20 22.082 -1.695 -3.724
131 1HB GLN 20 1HB GLN 20 20.900 -0.775 -1.123
132 2HB GLN 20 2HB GLN 20 22.619 -1.121 -1.249
133 1HG GLN 20 1HG GLN 20 22.018 0.503 -3.441
134 2HG GLN 20 2HG GLN 20 21.158 1.205 -2.070
135 2HE2 GLN 20 2HE2 GLN 20 23.001 0.330 -0.082
136 1HE2 GLN 20 1HE2 GLN 20 24.432 1.283 -0.251
137 HA PRO 21 HA PRO 21 23.165 -5.674 -2.217
138 1HB PRO 21 1HB PRO 21 25.325 -4.552 -0.535
139 2HB PRO 21 2HB PRO 21 25.428 -5.684 -1.889
140 1HG PRO 21 1HG PRO 21 26.241 -3.151 -2.148
141 2HG PRO 21 2HG PRO 21 25.415 -3.991 -3.475
142 1HD PRO 21 1HD PRO 21 24.319 -1.992 -1.528
143 2HD PRO 21 2HD PRO 21 24.041 -2.126 -3.277
144 H GLY 22 H GLY 22 21.047 -4.946 -0.863
145 1HA GLY 22 1HA GLY 22 21.677 -5.117 2.002
146 2HA GLY 22 2HA GLY 22 20.614 -6.315 1.285
147 H ALA 23 H ALA 23 19.905 -3.641 -0.417
148 HA ALA 23 HA ALA 23 17.558 -3.133 1.204
149 1HB ALA 23 1HB ALA 23 18.647 -1.444 2.246
150 2HB ALA 23 3HB ALA 23 19.793 -1.221 0.924
151 3HB ALA 23 2HB ALA 23 18.160 -0.569 0.794
152 HA PRO 24 HA PRO 24 16.246 -2.816 -3.022
153 1HB PRO 24 1HB PRO 24 14.093 -4.459 -2.502
154 2HB PRO 24 2HB PRO 24 15.692 -5.022 -2.977
155 1HG PRO 24 1HG PRO 24 14.367 -5.427 -0.485
156 2HG PRO 24 2HG PRO 24 16.005 -5.925 -0.937
157 1HD PRO 24 1HD PRO 24 15.099 -3.550 0.584
158 2HD PRO 24 2HD PRO 24 16.635 -4.442 0.669
159 H ILE 25 H ILE 25 15.776 -0.568 -2.450
160 HA ILE 25 HA ILE 25 13.728 0.505 -1.122
161 HB ILE 25 HB ILE 25 14.877 1.307 -3.788
162 1HG1 ILE 25 1HG1 ILE 25 16.527 1.248 -2.107
163 2HG1 ILE 25 2HG1 ILE 25 16.004 2.935 -2.150
164 1HG2 ILE 25 1HG2 ILE 25 12.921 2.631 -1.949
165 2HG2 ILE 25 2HG2 ILE 25 14.066 3.606 -2.865
166 3HG2 ILE 25 3HG2 ILE 25 12.912 2.578 -3.710
167 1HD1 ILE 25 1HD1 ILE 25 14.351 2.291 -0.332
168 2HD1 ILE 25 2HD1 ILE 25 15.295 0.813 -0.159
169 3HD1 ILE 25 3HD1 ILE 25 16.054 2.379 0.121
170 H LEU 26 H LEU 26 11.901 1.848 -2.474
171 HA LEU 26 HA LEU 26 10.330 -0.002 -4.075
172 1HB LEU 26 1HB LEU 26 8.928 1.142 -1.797
173 2HB LEU 26 2HB LEU 26 8.854 -0.484 -2.468
174 HG LEU 26 HG LEU 26 11.350 0.252 -1.177
175 1HD1 LEU 26 1HD1 LEU 26 8.894 0.714 0.176
176 2HD1 LEU 26 2HD1 LEU 26 9.762 -0.610 0.951
177 3HD1 LEU 26 3HD1 LEU 26 10.547 0.953 0.739
178 1HD2 LEU 26 1HD2 LEU 26 9.944 -2.089 -1.916
179 2HD2 LEU 26 2HD2 LEU 26 11.575 -1.946 -1.270
180 3HD2 LEU 26 3HD2 LEU 26 10.210 -2.137 -0.173
181 H GLN 27 H GLN 27 7.944 1.032 -3.635
182 HA GLN 27 HA GLN 27 7.375 3.664 -3.683
183 1HB GLN 27 1HB GLN 27 8.995 4.135 -5.359
184 2HB GLN 27 2HB GLN 27 8.418 2.824 -6.378
185 1HG GLN 27 1HG GLN 27 6.755 4.058 -7.252
186 2HG GLN 27 2HG GLN 27 6.426 4.882 -5.728
187 2HE2 GLN 27 2HE2 GLN 27 9.587 4.717 -7.200
188 1HE2 GLN 27 1HE2 GLN 27 9.702 6.391 -7.609
189 H CYS 28 H CYS 28 5.801 1.954 -2.902
190 HA CYS 28 HA CYS 28 4.042 0.407 -3.443
191 1HB CYS 28 1HB CYS 28 3.545 2.806 -2.368
192 2HB CYS 28 2HB CYS 28 2.573 2.953 -3.820
193 H MET 29 H MET 29 3.295 -0.727 -5.081
194 HA MET 29 HA MET 29 3.371 0.148 -7.782
195 1HB MET 29 1HB MET 29 3.465 -2.139 -7.749
196 2HB MET 29 2HB MET 29 2.438 -2.264 -6.329
197 1HG MET 29 1HG MET 29 0.490 -2.195 -7.566
198 2HG MET 29 2HG MET 29 1.272 -1.419 -8.943
199 1HE MET 29 1HE MET 29 2.909 -4.312 -7.038
200 2HE MET 29 2HE MET 29 1.245 -4.875 -6.874
201 3HE MET 29 3HE MET 29 2.379 -5.761 -7.894
202 H GLY 30 H GLY 30 0.480 -0.940 -6.006
203 1HA GLY 30 1HA GLY 30 -0.951 1.427 -6.996
204 2HA GLY 30 2HA GLY 30 -1.457 0.413 -5.654
205 H CYS 31 H CYS 31 -2.898 -1.181 -6.011
206 HA CYS 31 HA CYS 31 -4.197 -1.287 -8.549
207 1HB CYS 31 1HB CYS 31 -2.036 -2.975 -8.377
208 2HB CYS 31 2HB CYS 31 -3.364 -4.020 -7.879
209 H CYS 32 H CYS 32 -5.591 -0.529 -6.635
210 HA CYS 32 HA CYS 32 -6.740 -2.780 -5.155
211 1HB CYS 32 1HB CYS 32 -7.210 0.198 -4.861
212 2HB CYS 32 2HB CYS 32 -7.906 -1.048 -3.832
213 H PHE 33 H PHE 33 -9.295 -1.316 -4.824
214 HA PHE 33 HA PHE 33 -10.412 -1.629 -7.524
215 1HB PHE 33 1HB PHE 33 -12.094 -2.456 -5.217
216 2HB PHE 33 2HB PHE 33 -12.044 -3.091 -6.858
217 HD1 PHE 33 HD1 PHE 33 -9.630 -4.199 -7.420
218 HD2 PHE 33 HD2 PHE 33 -11.422 -3.895 -3.571
219 HE1 PHE 33 HE1 PHE 33 -8.276 -6.101 -6.642
220 HE2 PHE 33 HE2 PHE 33 -10.071 -5.795 -2.788
221 HZ PHE 33 HZ PHE 33 -8.495 -6.901 -4.323
222 H SER 34 H SER 34 -13.084 -1.079 -6.808
223 HA SER 34 HA SER 34 -12.963 1.581 -5.581
224 1HB SER 34 1HB SER 34 -13.439 2.690 -7.475
225 2HB SER 34 2HB SER 34 -13.099 1.197 -8.348
226 HG SER 34 HG SER 34 -15.394 2.459 -8.182
227 H ARG 35 H ARG 35 -14.499 1.817 -4.115
228 HA ARG 35 HA ARG 35 -17.098 1.702 -4.104
229 1HB ARG 35 1HB ARG 35 -16.156 -1.094 -4.403
230 2HB ARG 35 2HB ARG 35 -17.489 -0.829 -3.288
231 1HG ARG 35 1HG ARG 35 -17.664 0.407 -5.981
232 2HG ARG 35 2HG ARG 35 -17.892 -1.339 -5.843
233 1HD ARG 35 1HD ARG 35 -19.899 -1.113 -4.868
234 2HD ARG 35 2HD ARG 35 -19.348 0.204 -3.832
235 HE ARG 35 HE ARG 35 -19.583 1.208 -6.420
236 1HH1 ARG 35 1HH1 ARG 35 -21.619 -0.100 -3.920
237 2HH1 ARG 35 2HH1 ARG 35 -23.017 0.799 -4.403
238 1HH2 ARG 35 1HH2 ARG 35 -21.418 2.406 -7.067
239 2HH2 ARG 35 2HH2 ARG 35 -22.902 2.225 -6.193
240 H ALA 36 H ALA 36 -18.074 0.383 -1.976
241 HA ALA 36 HA ALA 36 -16.354 0.155 0.248
242 1HB ALA 36 2HB ALA 36 -17.896 2.746 0.162
243 2HB ALA 36 1HB ALA 36 -16.858 2.174 1.468
244 3HB ALA 36 3HB ALA 36 -16.157 2.600 -0.094
245 H TYR 37 H TYR 37 -17.451 -1.457 1.179
246 HA TYR 37 HA TYR 37 -19.962 -0.997 2.415
247 1HB TYR 37 1HB TYR 37 -19.920 -2.462 -0.188
248 2HB TYR 37 2HB TYR 37 -21.009 -3.030 1.074
249 HD1 TYR 37 HD1 TYR 37 -22.620 -1.296 2.094
250 HD2 TYR 37 HD2 TYR 37 -20.550 -0.695 -1.574
251 HE1 TYR 37 HE1 TYR 37 -24.259 0.423 1.460
252 HE2 TYR 37 HE2 TYR 37 -22.183 1.027 -2.220
253 HH TYR 37 HH TYR 37 -24.120 2.013 -1.706
254 HA PRO 38 HA PRO 38 -17.567 -3.947 4.867
255 1HB PRO 38 1HB PRO 38 -20.058 -3.656 6.481
256 2HB PRO 38 2HB PRO 38 -18.368 -3.575 6.994
257 1HG PRO 38 1HG PRO 38 -19.812 -1.355 6.751
258 2HG PRO 38 2HG PRO 38 -18.111 -1.389 6.252
259 1HD PRO 38 1HD PRO 38 -20.582 -1.437 4.578
260 2HD PRO 38 2HD PRO 38 -19.016 -0.663 4.260
261 H THR 39 H THR 39 -18.210 -6.044 5.987
262 HA THR 39 HA THR 39 -19.175 -7.879 4.167
263 HB THR 39 HB THR 39 -19.270 -8.129 7.180
264 HG1 THR 39 HG1 THR 39 -17.208 -9.277 5.764
265 1HG2 THR 39 1HG2 THR 39 -19.515 -10.113 4.979
266 2HG2 THR 39 2HG2 THR 39 -18.695 -10.573 6.471
267 3HG2 THR 39 3HG2 THR 39 -20.369 -10.020 6.520
268 HA PRO 40 HA PRO 40 -23.550 -7.015 4.070
269 1HB PRO 40 1HB PRO 40 -24.208 -9.446 2.898
270 2HB PRO 40 2HB PRO 40 -23.744 -7.985 2.019
271 1HG PRO 40 1HG PRO 40 -22.103 -10.369 2.741
272 2HG PRO 40 2HG PRO 40 -22.065 -9.380 1.270
273 1HD PRO 40 1HD PRO 40 -20.194 -9.141 3.187
274 2HD PRO 40 2HD PRO 40 -20.759 -7.741 2.254
275 H LEU 41 H LEU 41 -25.562 -8.157 4.771
276 HA LEU 41 HA LEU 41 -25.742 -8.768 7.336
277 1HB LEU 41 1HB LEU 41 -27.293 -9.477 5.011
278 2HB LEU 41 2HB LEU 41 -27.378 -10.750 6.212
279 HG LEU 41 HG LEU 41 -28.169 -7.862 6.565
280 1HD1 LEU 41 1HD1 LEU 41 -29.570 -10.342 5.959
281 2HD1 LEU 41 2HD1 LEU 41 -30.244 -9.480 7.342
282 3HD1 LEU 41 3HD1 LEU 41 -30.097 -8.669 5.782
283 1HD2 LEU 41 1HD2 LEU 41 -27.354 -9.853 8.526
284 2HD2 LEU 41 2HD2 LEU 41 -27.603 -8.117 8.711
285 3HD2 LEU 41 3HD2 LEU 41 -28.975 -9.221 8.816
286 H ARG 42 H ARG 42 -25.327 -11.400 4.970
287 HA ARG 42 HA ARG 42 -24.973 -13.529 6.607
288 1HB ARG 42 1HB ARG 42 -22.930 -13.469 4.504
289 2HB ARG 42 2HB ARG 42 -24.228 -14.621 4.781
290 1HG ARG 42 1HG ARG 42 -25.776 -12.808 3.840
291 2HG ARG 42 2HG ARG 42 -24.294 -12.052 3.247
292 1HD ARG 42 1HD ARG 42 -24.999 -13.365 1.456
293 2HD ARG 42 2HD ARG 42 -23.768 -14.355 2.239
294 HE ARG 42 HE ARG 42 -26.648 -14.830 2.227
295 1HH1 ARG 42 1HH1 ARG 42 -23.470 -15.779 3.301
296 2HH1 ARG 42 2HH1 ARG 42 -23.967 -17.367 3.781
297 1HH2 ARG 42 1HH2 ARG 42 -27.309 -16.914 2.866
298 2HH2 ARG 42 2HH2 ARG 42 -26.148 -18.011 3.535
299 H SER 43 H SER 43 -22.843 -14.727 7.035
300 HA SER 43 HA SER 43 -20.956 -12.833 8.276
301 1HB SER 43 1HB SER 43 -22.436 -14.660 9.598
302 2HB SER 43 2HB SER 43 -21.026 -15.647 9.218
303 HG SER 43 HG SER 43 -19.990 -14.628 10.721
304 H LYS 44 H LYS 44 -20.932 -16.252 7.278
305 HA LYS 44 HA LYS 44 -19.518 -17.433 5.943
306 1HB LYS 44 1HB LYS 44 -18.447 -14.706 5.203
307 2HB LYS 44 2HB LYS 44 -17.934 -16.209 4.451
308 1HG LYS 44 1HG LYS 44 -20.629 -16.368 4.161
309 2HG LYS 44 2HG LYS 44 -20.362 -14.628 4.043
310 1HD LYS 44 1HD LYS 44 -18.347 -15.607 2.487
311 2HD LYS 44 2HD LYS 44 -19.633 -16.776 2.189
312 1HE LYS 44 1HE LYS 44 -19.465 -13.911 1.483
313 2HE LYS 44 2HE LYS 44 -20.199 -15.253 0.605
314 1HZ LYS 44 1HZ LYS 44 -21.844 -15.138 2.646
315 2HZ LYS 44 2HZ LYS 44 -21.347 -13.520 2.654
316 3HZ LYS 44 3HZ LYS 44 -22.062 -14.179 1.269
317 H LYS 45 H LYS 45 -16.862 -15.295 6.033
318 HA LYS 45 HA LYS 45 -15.731 -16.717 8.347
319 1HB LYS 45 1HB LYS 45 -14.631 -16.356 5.597
320 2HB LYS 45 2HB LYS 45 -13.505 -16.361 6.946
321 1HG LYS 45 1HG LYS 45 -15.241 -18.546 7.324
322 2HG LYS 45 2HG LYS 45 -14.743 -18.562 5.632
323 1HD LYS 45 1HD LYS 45 -13.135 -19.839 6.813
324 2HD LYS 45 2HD LYS 45 -12.371 -18.289 6.453
325 1HE LYS 45 1HE LYS 45 -13.781 -18.254 8.989
326 2HE LYS 45 2HE LYS 45 -12.550 -19.514 8.934
327 1HZ LYS 45 1HZ LYS 45 -11.385 -17.265 7.837
328 2HZ LYS 45 2HZ LYS 45 -12.220 -16.714 9.202
329 3HZ LYS 45 3HZ LYS 45 -11.068 -17.942 9.354
330 H THR 46 H THR 46 -13.216 -15.396 8.235
331 HA THR 46 HA THR 46 -12.133 -13.512 8.889
332 HB THR 46 HB THR 46 -14.010 -11.421 8.560
333 HG1 THR 46 HG1 THR 46 -14.052 -13.285 6.424
334 1HG2 THR 46 1HG2 THR 46 -11.698 -12.367 6.905
335 2HG2 THR 46 2HG2 THR 46 -12.623 -10.915 6.522
336 3HG2 THR 46 3HG2 THR 46 -11.753 -11.028 8.051
337 H MET 47 H MET 47 -13.276 -14.990 10.818
338 HA MET 47 HA MET 47 -14.385 -14.976 12.855
339 1HB MET 47 1HB MET 47 -12.544 -12.591 13.114
340 2HB MET 47 2HB MET 47 -13.177 -13.563 14.436
341 1HG MET 47 1HG MET 47 -12.002 -15.482 12.971
342 2HG MET 47 2HG MET 47 -10.976 -14.109 12.562
343 1HE MET 47 1HE MET 47 -12.473 -16.373 14.982
344 2HE MET 47 2HE MET 47 -10.877 -17.032 15.341
345 3HE MET 47 3HE MET 47 -11.730 -16.078 16.555
346 H LEU 48 H LEU 48 -14.317 -12.141 14.252
347 HA LEU 48 HA LEU 48 -16.702 -11.025 12.973
348 1HB LEU 48 1HB LEU 48 -16.477 -11.828 15.872
349 2HB LEU 48 2HB LEU 48 -17.717 -10.748 15.266
350 HG LEU 48 HG LEU 48 -17.546 -13.283 13.804
351 1HD1 LEU 48 1HD1 LEU 48 -17.349 -13.424 16.610
352 2HD1 LEU 48 2HD1 LEU 48 -19.009 -13.846 16.188
353 3HD1 LEU 48 3HD1 LEU 48 -17.665 -14.734 15.472
354 1HD2 LEU 48 1HD2 LEU 48 -19.652 -11.506 14.963
355 2HD2 LEU 48 2HD2 LEU 48 -19.380 -11.970 13.284
356 3HD2 LEU 48 3HD2 LEU 48 -20.053 -13.137 14.423
357 H VAL 49 H VAL 49 -17.315 -9.037 14.727
358 HA VAL 49 HA VAL 49 -16.752 -6.910 15.313
359 HB VAL 49 HB VAL 49 -13.883 -7.511 15.724
360 1HG1 VAL 49 1HG1 VAL 49 -15.929 -5.768 16.763
361 2HG1 VAL 49 2HG1 VAL 49 -15.102 -6.614 18.070
362 3HG1 VAL 49 3HG1 VAL 49 -14.175 -5.655 16.915
363 1HG2 VAL 49 1HG2 VAL 49 -16.077 -9.049 17.053
364 2HG2 VAL 49 2HG2 VAL 49 -14.515 -9.611 16.457
365 3HG2 VAL 49 3HG2 VAL 49 -14.603 -8.662 17.940
366 H GLN 50 H GLN 50 -16.650 -5.372 13.820
367 HA GLN 50 HA GLN 50 -15.182 -5.678 11.408
368 1HB GLN 50 1HB GLN 50 -17.142 -3.840 12.495
369 2HB GLN 50 2HB GLN 50 -15.884 -2.981 11.616
370 1HG GLN 50 1HG GLN 50 -17.903 -4.925 10.630
371 2HG GLN 50 2HG GLN 50 -17.393 -3.380 9.952
372 2HE2 GLN 50 2HE2 GLN 50 -14.970 -3.406 9.323
373 1HE2 GLN 50 1HE2 GLN 50 -14.469 -4.777 8.400
374 H LYS 51 H LYS 51 -13.371 -4.600 10.663
375 HA LYS 51 HA LYS 51 -11.795 -3.215 12.726
376 1HB LYS 51 1HB LYS 51 -11.162 -5.562 11.309
377 2HB LYS 51 2HB LYS 51 -10.162 -4.299 10.609
378 1HG LYS 51 1HG LYS 51 -9.318 -5.714 12.638
379 2HG LYS 51 2HG LYS 51 -8.957 -3.991 12.527
380 1HD LYS 51 1HD LYS 51 -9.655 -4.426 14.760
381 2HD LYS 51 2HD LYS 51 -10.978 -3.578 13.965
382 1HE LYS 51 1HE LYS 51 -11.800 -6.024 13.449
383 2HE LYS 51 2HE LYS 51 -10.786 -6.420 14.837
384 1HZ LYS 51 1HZ LYS 51 -12.680 -4.200 15.097
385 2HZ LYS 51 2HZ LYS 51 -13.295 -5.776 15.129
386 3HZ LYS 51 3HZ LYS 51 -12.137 -5.297 16.265
387 H ASN 52 H ASN 52 -13.637 -1.986 10.912
388 HA ASN 52 HA ASN 52 -13.814 -0.214 9.502
389 1HB ASN 52 1HB ASN 52 -10.974 0.573 9.842
390 2HB ASN 52 2HB ASN 52 -12.440 1.537 9.998
391 2HD2 ASN 52 2HD2 ASN 52 -13.495 1.633 11.961
392 1HD2 ASN 52 1HD2 ASN 52 -12.784 1.063 13.430
393 H VAL 53 H VAL 53 -13.139 0.706 7.432
394 HA VAL 53 HA VAL 53 -11.241 -0.940 5.920
395 HB VAL 53 HB VAL 53 -13.383 -0.317 4.163
396 1HG1 VAL 53 1HG1 VAL 53 -11.655 -2.448 4.786
397 2HG1 VAL 53 2HG1 VAL 53 -13.295 -3.092 4.847
398 3HG1 VAL 53 3HG1 VAL 53 -12.717 -2.285 3.388
399 1HG2 VAL 53 1HG2 VAL 53 -14.235 -1.466 6.796
400 2HG2 VAL 53 2HG2 VAL 53 -15.001 -0.206 5.828
401 3HG2 VAL 53 3HG2 VAL 53 -15.081 -1.890 5.307
402 H THR 54 H THR 54 -11.721 1.964 6.968
403 HA THR 54 HA THR 54 -11.166 4.073 6.317
404 HB THR 54 HB THR 54 -9.783 3.713 3.895
405 HG1 THR 54 HG1 THR 54 -9.168 1.632 5.715
406 1HG2 THR 54 1HG2 THR 54 -8.964 4.024 6.741
407 2HG2 THR 54 2HG2 THR 54 -7.752 3.693 5.503
408 3HG2 THR 54 3HG2 THR 54 -8.764 5.132 5.382
409 H SER 55 H SER 55 -13.696 3.321 5.587
410 HA SER 55 HA SER 55 -14.484 3.468 2.964
411 1HB SER 55 1HB SER 55 -16.450 3.281 4.016
412 2HB SER 55 2HB SER 55 -15.728 3.817 5.534
413 HG SER 55 HG SER 55 -16.823 5.429 3.475
414 H GLU 56 H GLU 56 -15.534 5.261 1.796
415 HA GLU 56 HA GLU 56 -15.702 7.425 1.039
416 1HB GLU 56 1HB GLU 56 -14.860 7.830 3.678
417 2HB GLU 56 2HB GLU 56 -13.732 8.749 2.690
418 1HG GLU 56 1HG GLU 56 -15.247 10.308 2.230
419 2HG GLU 56 2HG GLU 56 -16.489 9.112 1.859
420 H SER 57 H SER 57 -14.719 6.775 -0.860
421 HA SER 57 HA SER 57 -13.178 6.788 -2.527
422 1HB SER 57 1HB SER 57 -11.165 8.531 -1.504
423 2HB SER 57 2HB SER 57 -12.396 8.873 -2.720
424 HG SER 57 HG SER 57 -12.227 9.960 -0.387
425 H THR 58 H THR 58 -10.624 6.691 -2.889
426 HA THR 58 HA THR 58 -9.299 5.124 -0.827
427 HB THR 58 HB THR 58 -8.711 3.387 -2.640
428 HG1 THR 58 HG1 THR 58 -10.108 3.224 -4.324
429 1HG2 THR 58 1HG2 THR 58 -10.815 3.472 -0.793
430 2HG2 THR 58 2HG2 THR 58 -11.486 2.816 -2.287
431 3HG2 THR 58 3HG2 THR 58 -10.081 2.053 -1.542
432 H CYS 59 H CYS 59 -7.010 4.614 -1.460
433 HA CYS 59 HA CYS 59 -5.585 5.528 -3.570
434 1HB CYS 59 1HB CYS 59 -6.640 7.770 -2.093
435 2HB CYS 59 2HB CYS 59 -4.881 7.789 -2.066
436 H CYS 60 H CYS 60 -3.611 4.732 -3.306
437 HA CYS 60 HA CYS 60 -2.743 3.977 -0.649
438 1HB CYS 60 1HB CYS 60 -1.912 3.289 -3.425
439 2HB CYS 60 2HB CYS 60 -0.729 3.098 -2.134
440 H VAL 61 H VAL 61 -0.992 4.712 0.424
441 HA VAL 61 HA VAL 61 0.891 6.541 -0.760
442 HB VAL 61 HB VAL 61 -1.012 7.511 1.380
443 1HG1 VAL 61 1HG1 VAL 61 1.711 8.365 0.655
444 2HG1 VAL 61 2HG1 VAL 61 0.521 9.656 0.821
445 3HG1 VAL 61 3HG1 VAL 61 0.823 8.556 2.167
446 1HG2 VAL 61 1HG2 VAL 61 -0.646 8.082 -1.508
447 2HG2 VAL 61 2HG2 VAL 61 -2.120 8.029 -0.541
448 3HG2 VAL 61 3HG2 VAL 61 -1.057 9.434 -0.452
449 H ALA 62 H ALA 62 1.550 4.186 0.123
450 HA ALA 62 HA ALA 62 2.495 2.894 1.790
451 1HB ALA 62 1HB ALA 62 4.137 5.410 1.746
452 2HB ALA 62 3HB ALA 62 4.653 3.897 2.491
453 3HB ALA 62 2HB ALA 62 4.355 3.968 0.755
454 H LYS 63 H LYS 63 1.339 2.466 3.579
455 HA LYS 63 HA LYS 63 0.325 4.215 5.470
456 1HB LYS 63 1HB LYS 63 -0.210 1.771 5.254
457 2HB LYS 63 2HB LYS 63 1.348 1.411 5.980
458 1HG LYS 63 1HG LYS 63 -0.226 1.215 7.708
459 2HG LYS 63 2HG LYS 63 0.586 2.759 7.977
460 1HD LYS 63 1HD LYS 63 -1.287 3.944 7.619
461 2HD LYS 63 2HD LYS 63 -1.794 2.915 6.276
462 1HE LYS 63 1HE LYS 63 -3.186 1.767 7.585
463 2HE LYS 63 2HE LYS 63 -1.924 1.496 8.786
464 1HZ LYS 63 1HZ LYS 63 -3.335 4.084 8.596
465 2HZ LYS 63 2HZ LYS 63 -3.971 2.800 9.496
466 3HZ LYS 63 3HZ LYS 63 -2.463 3.451 9.900
467 H SER 64 H SER 64 3.434 2.721 5.138
468 HA SER 64 HA SER 64 4.635 4.639 6.963
469 1HB SER 64 1HB SER 64 4.817 1.647 7.399
470 2HB SER 64 2HB SER 64 5.868 2.826 8.185
471 HG SER 64 HG SER 64 3.073 2.502 8.469
472 H TYR 65 H TYR 65 6.320 5.434 5.888
473 HA TYR 65 HA TYR 65 7.619 3.756 3.850
474 1HB TYR 65 1HB TYR 65 8.609 6.140 3.287
475 2HB TYR 65 2HB TYR 65 7.021 5.636 2.721
476 HD1 TYR 65 HD1 TYR 65 8.242 6.975 5.987
477 HD2 TYR 65 HD2 TYR 65 5.598 7.452 2.688
478 HE1 TYR 65 HE1 TYR 65 7.254 8.950 7.070
479 HE2 TYR 65 HE2 TYR 65 4.605 9.428 3.760
480 HH TYR 65 HH TYR 65 4.885 10.960 5.419
481 H ASN 66 H ASN 66 9.906 4.183 3.443
482 HA ASN 66 HA ASN 66 11.389 4.866 5.881
483 1HB ASN 66 1HB ASN 66 11.188 2.258 4.861
484 2HB ASN 66 2HB ASN 66 12.776 2.836 4.369
485 2HD2 ASN 66 2HD2 ASN 66 13.912 4.074 6.221
486 1HD2 ASN 66 1HD2 ASN 66 13.917 3.261 7.745
487 H ARG 67 H ARG 67 10.600 6.155 3.548
488 HA ARG 67 HA ARG 67 11.783 6.749 1.403
489 1HB ARG 67 1HB ARG 67 12.302 9.158 2.230
490 2HB ARG 67 2HB ARG 67 10.643 8.569 2.245
491 1HG ARG 67 1HG ARG 67 10.751 8.102 4.570
492 2HG ARG 67 2HG ARG 67 12.477 8.454 4.609
493 1HD ARG 67 1HD ARG 67 11.895 10.799 3.870
494 2HD ARG 67 2HD ARG 67 10.208 10.383 4.169
495 HE ARG 67 HE ARG 67 10.611 10.775 6.369
496 1HH1 ARG 67 1HH1 ARG 67 13.600 9.812 4.864
497 2HH1 ARG 67 2HH1 ARG 67 14.529 9.943 6.320
498 1HH2 ARG 67 1HH2 ARG 67 11.827 10.951 8.294
499 2HH2 ARG 67 2HH2 ARG 67 13.521 10.593 8.269
500 H VAL 68 H VAL 68 13.612 5.877 0.792
501 HA VAL 68 HA VAL 68 16.076 6.442 2.259
502 HB VAL 68 HB VAL 68 17.129 4.693 1.046
503 1HG1 VAL 68 1HG1 VAL 68 14.879 4.211 2.580
504 2HG1 VAL 68 2HG1 VAL 68 14.645 3.205 1.154
505 3HG1 VAL 68 3HG1 VAL 68 16.105 3.032 2.120
506 1HG2 VAL 68 1HG2 VAL 68 15.632 5.483 -1.092
507 2HG2 VAL 68 2HG2 VAL 68 16.610 4.020 -1.034
508 3HG2 VAL 68 3HG2 VAL 68 14.884 3.944 -0.688
509 H THR 69 H THR 69 15.024 8.633 1.051
510 HA THR 69 HA THR 69 15.320 9.500 -1.365
511 HB THR 69 HB THR 69 16.835 10.725 0.935
512 HG1 THR 69 HG1 THR 69 14.254 10.609 0.313
513 1HG2 THR 69 1HG2 THR 69 17.545 11.424 -1.444
514 2HG2 THR 69 2HG2 THR 69 15.983 12.243 -1.485
515 3HG2 THR 69 3HG2 THR 69 17.172 12.672 -0.254
516 H VAL 70 H VAL 70 16.553 9.059 -3.020
517 HA VAL 70 HA VAL 70 19.416 8.537 -2.558
518 HB VAL 70 HB VAL 70 18.213 7.232 -4.897
519 1HG1 VAL 70 1HG1 VAL 70 20.447 6.924 -3.085
520 2HG1 VAL 70 2HG1 VAL 70 19.606 5.397 -3.351
521 3HG1 VAL 70 3HG1 VAL 70 20.230 6.311 -4.724
522 1HG2 VAL 70 1HG2 VAL 70 16.523 7.029 -2.948
523 2HG2 VAL 70 2HG2 VAL 70 17.002 5.573 -3.809
524 3HG2 VAL 70 3HG2 VAL 70 17.714 5.938 -2.241
525 H MET 71 H MET 71 20.233 8.174 -5.063
526 HA MET 71 HA MET 71 21.248 9.459 -6.642
527 1HB MET 71 1HB MET 71 18.505 10.352 -7.412
528 2HB MET 71 2HB MET 71 19.849 9.889 -8.448
529 1HG MET 71 1HG MET 71 19.010 7.726 -6.746
530 2HG MET 71 2HG MET 71 17.684 8.348 -7.723
531 1HE MET 71 1HE MET 71 21.479 8.168 -8.269
532 2HE MET 71 2HE MET 71 21.628 7.437 -9.866
533 3HE MET 71 3HE MET 71 20.943 9.053 -9.697
534 H GLY 72 H GLY 72 19.419 11.800 -7.664
535 1HA GLY 72 1HA GLY 72 19.727 14.072 -7.570
536 2HA GLY 72 2HA GLY 72 20.881 13.827 -6.269
537 H GLY 73 H GLY 73 18.663 12.176 -4.898
538 1HA GLY 73 1HA GLY 73 17.252 14.522 -3.801
539 2HA GLY 73 2HA GLY 73 17.697 13.107 -2.860
540 H PHE 74 H PHE 74 16.860 11.090 -4.651
541 HA PHE 74 HA PHE 74 14.143 11.527 -5.440
542 1HB PHE 74 1HB PHE 74 15.881 9.078 -5.199
543 2HB PHE 74 2HB PHE 74 14.170 8.948 -5.589
544 HD1 PHE 74 HD1 PHE 74 16.722 11.420 -6.690
545 HD2 PHE 74 HD2 PHE 74 14.048 8.303 -7.800
546 HE1 PHE 74 HE1 PHE 74 17.238 11.827 -9.061
547 HE2 PHE 74 HE2 PHE 74 14.559 8.702 -10.172
548 HZ PHE 74 HZ PHE 74 16.157 10.466 -10.805
549 H LYS 75 H LYS 75 12.506 9.710 -4.561
550 HA LYS 75 HA LYS 75 12.779 9.261 -1.716
551 1HB LYS 75 1HB LYS 75 10.477 10.958 -2.691
552 2HB LYS 75 2HB LYS 75 10.819 10.482 -1.035
553 1HG LYS 75 1HG LYS 75 13.077 11.753 -1.496
554 2HG LYS 75 2HG LYS 75 12.094 12.572 -2.711
555 1HD LYS 75 1HD LYS 75 10.620 12.387 -0.267
556 2HD LYS 75 2HD LYS 75 12.214 13.067 0.067
557 1HE LYS 75 1HE LYS 75 10.413 14.067 -2.129
558 2HE LYS 75 2HE LYS 75 10.410 14.732 -0.497
559 1HZ LYS 75 1HZ LYS 75 13.016 14.547 -1.744
560 2HZ LYS 75 2HZ LYS 75 11.952 15.635 -2.482
561 3HZ LYS 75 3HZ LYS 75 12.331 15.806 -0.842
562 H VAL 76 H VAL 76 12.290 7.193 -1.675
563 HA VAL 76 HA VAL 76 9.966 6.187 -3.153
564 HB VAL 76 HB VAL 76 10.973 3.863 -2.611
565 1HG1 VAL 76 1HG1 VAL 76 12.367 5.965 -4.299
566 2HG1 VAL 76 2HG1 VAL 76 13.029 4.338 -4.180
567 3HG1 VAL 76 3HG1 VAL 76 11.402 4.584 -4.812
568 1HG2 VAL 76 1HG2 VAL 76 12.548 5.609 -0.970
569 2HG2 VAL 76 2HG2 VAL 76 12.626 3.857 -1.092
570 3HG2 VAL 76 3HG2 VAL 76 13.631 4.861 -2.137
571 H GLU 77 H GLU 77 10.370 7.574 -0.522
572 HA GLU 77 HA GLU 77 9.899 7.184 1.760
573 1HB GLU 77 1HB GLU 77 7.275 6.147 1.316
574 2HB GLU 77 2HB GLU 77 7.721 7.790 1.752
575 1HG GLU 77 1HG GLU 77 7.822 6.849 -1.086
576 2HG GLU 77 2HG GLU 77 6.319 7.407 -0.356
577 H ASN 78 H ASN 78 11.308 5.194 0.629
578 HA ASN 78 HA ASN 78 11.060 2.807 0.175
579 1HB ASN 78 1HB ASN 78 13.075 3.570 1.462
580 2HB ASN 78 2HB ASN 78 12.205 3.147 2.938
581 H HIS 79 H HIS 79 8.783 2.847 0.252
582 HA HIS 79 HA HIS 79 7.061 2.703 2.226
583 1HB HIS 79 1HB HIS 79 7.097 0.948 -0.211
584 2HB HIS 79 2HB HIS 79 5.695 1.131 0.851
585 HD1 HIS 79 HD1 HIS 79 4.815 2.143 -1.640
586 HD2 HIS 79 HD2 HIS 79 7.360 4.392 0.725
587 HE1 HIS 79 HE1 HIS 79 4.636 4.521 -2.494
588 H THR 80 H THR 80 6.722 1.751 3.910
589 HA THR 80 HA THR 80 7.816 -0.943 4.377
590 HB THR 80 HB THR 80 8.142 -0.390 6.616
591 HG1 THR 80 HG1 THR 80 7.070 1.840 7.201
592 1HG2 THR 80 1HG2 THR 80 8.906 1.627 4.722
593 2HG2 THR 80 2HG2 THR 80 8.617 2.339 6.307
594 3HG2 THR 80 3HG2 THR 80 9.776 1.022 6.130
595 H ALA 81 H ALA 81 5.033 0.836 3.831
596 HA ALA 81 HA ALA 81 3.312 -1.382 4.036
597 1HB ALA 81 2HB ALA 81 3.358 -1.046 6.406
598 2HB ALA 81 1HB ALA 81 3.103 0.688 6.218
599 3HB ALA 81 3HB ALA 81 1.811 -0.440 5.811
600 H CYS 82 H CYS 82 1.403 -0.962 2.899
601 HA CYS 82 HA CYS 82 1.092 1.811 1.952
602 1HB CYS 82 1HB CYS 82 1.023 -0.770 0.442
603 2HB CYS 82 2HB CYS 82 0.017 0.566 -0.111
604 H HIS 83 H HIS 83 -1.007 2.609 1.703
605 HA HIS 83 HA HIS 83 -3.195 0.894 2.638
606 1HB HIS 83 1HB HIS 83 -3.995 2.638 4.152
607 2HB HIS 83 2HB HIS 83 -2.359 2.148 4.584
608 HD1 HIS 83 HD1 HIS 83 -4.050 5.038 4.836
609 HD2 HIS 83 HD2 HIS 83 -0.661 4.104 2.622
610 HE1 HIS 83 HE1 HIS 83 -2.898 7.231 4.411
611 HE2 HIS 83 HE2 HIS 83 -0.851 6.643 3.066
612 H CYS 84 H CYS 84 -4.669 0.901 1.086
613 HA CYS 84 HA CYS 84 -4.904 3.037 -0.824
614 1HB CYS 84 1HB CYS 84 -5.751 0.297 -0.615
615 2HB CYS 84 2HB CYS 84 -7.138 1.305 -1.016
616 H SER 85 H SER 85 -5.526 4.853 0.392
617 HA SER 85 HA SER 85 -8.076 5.651 0.459
618 1HB SER 85 1HB SER 85 -8.673 5.293 2.977
619 2HB SER 85 2HB SER 85 -8.958 3.985 1.830
620 HG SER 85 HG SER 85 -6.441 3.960 2.897
621 H THR 86 H THR 86 -7.084 7.620 0.173
622 HA THR 86 HA THR 86 -6.796 9.340 2.292
623 HB THR 86 HB THR 86 -4.893 8.101 3.080
624 HG1 THR 86 HG1 THR 86 -3.198 9.767 2.632
625 1HG2 THR 86 1HG2 THR 86 -3.719 8.448 0.333
626 2HG2 THR 86 2HG2 THR 86 -2.845 7.856 1.746
627 3HG2 THR 86 3HG2 THR 86 -4.199 6.932 1.096
628 H CYS 87 H CYS 87 -7.882 9.551 -0.187
629 HA CYS 87 HA CYS 87 -6.093 11.447 -1.565
630 1HB CYS 87 1HB CYS 87 -7.668 9.242 -2.581
631 2HB CYS 87 2HB CYS 87 -8.144 10.754 -3.345
632 H TYR 88 H TYR 88 -6.708 13.500 -1.597
633 HA TYR 88 HA TYR 88 -9.167 14.315 -0.389
634 1HB TYR 88 1HB TYR 88 -6.694 15.496 -0.836
635 2HB TYR 88 2HB TYR 88 -7.775 16.386 -1.905
636 HD1 TYR 88 HD1 TYR 88 -9.835 17.464 -0.912
637 HD2 TYR 88 HD2 TYR 88 -6.686 15.899 1.482
638 HE1 TYR 88 HE1 TYR 88 -10.625 18.802 0.993
639 HE2 TYR 88 HE2 TYR 88 -7.467 17.234 3.393
640 HH TYR 88 HH TYR 88 -8.787 19.296 3.782
641 H TYR 89 H TYR 89 -10.515 13.070 -1.932
642 HA TYR 89 HA TYR 89 -10.833 14.280 -4.564
643 1HB TYR 89 1HB TYR 89 -11.297 11.685 -3.430
644 2HB TYR 89 2HB TYR 89 -12.791 12.283 -4.145
645 HD1 TYR 89 HD1 TYR 89 -12.752 13.025 -6.567
646 HD2 TYR 89 HD2 TYR 89 -9.554 10.865 -4.776
647 HE1 TYR 89 HE1 TYR 89 -11.931 12.399 -8.800
648 HE2 TYR 89 HE2 TYR 89 -8.726 10.234 -7.000
649 HH TYR 89 HH TYR 89 -8.878 10.732 -9.233
650 H HIS 90 H HIS 90 -13.496 13.898 -5.047
651 HA HIS 90 HA HIS 90 -14.960 15.415 -3.024
652 1HB HIS 90 1HB HIS 90 -14.075 17.122 -4.514
653 2HB HIS 90 2HB HIS 90 -14.691 16.255 -5.917
654 HD1 HIS 90 HD1 HIS 90 -17.362 16.151 -6.113
655 HD2 HIS 90 HD2 HIS 90 -15.833 18.881 -3.381
656 HE1 HIS 90 HE1 HIS 90 -19.255 17.728 -5.609
657 HE2 HIS 90 HE2 HIS 90 -18.290 19.407 -3.996
658 H LYS 91 H LYS 91 -15.769 13.140 -2.894
659 HA LYS 91 HA LYS 91 -18.020 12.795 -4.757
660 1HB LYS 91 1HB LYS 91 -15.849 10.916 -4.122
661 2HB LYS 91 2HB LYS 91 -17.462 10.228 -3.991
662 1HG LYS 91 1HG LYS 91 -17.666 11.500 -6.361
663 2HG LYS 91 2HG LYS 91 -15.954 11.072 -6.364
664 1HD LYS 91 1HD LYS 91 -16.612 9.066 -7.105
665 2HD LYS 91 2HD LYS 91 -17.181 8.775 -5.460
666 1HE LYS 91 1HE LYS 91 -19.287 10.121 -6.420
667 2HE LYS 91 2HE LYS 91 -18.702 9.400 -7.920
668 1HZ LYS 91 1HZ LYS 91 -18.703 7.454 -5.886
669 2HZ LYS 91 2HZ LYS 91 -20.223 8.196 -5.927
670 3HZ LYS 91 3HZ LYS 91 -19.592 7.479 -7.324
671 H SER 92 H SER 92 -16.942 10.910 -1.953
672 HA SER 92 HA SER 92 -17.835 10.705 0.155
673 1HB SER 92 1HB SER 92 -18.918 12.484 0.996
674 2HB SER 92 2HB SER 92 -18.814 13.201 -0.612
675 HG SER 92 HG SER 92 -20.986 12.828 0.544
No H/Q in entry = 675
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 -11.288 -2.263 -12.376
2 H2 ALA 1 H2 ALA 1 -10.251 -2.130 -11.014
3 H3 ALA 1 H3 ALA 1 -11.936 -2.348 -10.789
4 HA ALA 1 HA ALA 1 -12.405 -0.249 -11.085
5 1HB ALA 1 3HB ALA 1 -10.117 1.145 -10.782
6 2HB ALA 1 2HB ALA 1 -10.969 0.349 -9.458
7 3HB ALA 1 1HB ALA 1 -9.596 -0.446 -10.229
8 HA PRO 2 HA PRO 2 -9.623 1.309 -14.798
9 1HB PRO 2 1HB PRO 2 -8.473 -1.248 -15.722
10 2HB PRO 2 2HB PRO 2 -7.696 0.324 -15.518
11 1HG PRO 2 1HG PRO 2 -7.202 -1.710 -13.844
12 2HG PRO 2 2HG PRO 2 -7.261 -0.030 -13.278
13 1HD PRO 2 1HD PRO 2 -9.320 -2.190 -13.032
14 2HD PRO 2 2HD PRO 2 -8.835 -0.954 -11.853
15 H ASP 3 H ASP 3 -9.482 0.271 -17.297
16 HA ASP 3 HA ASP 3 -12.245 -0.138 -17.941
17 1HB ASP 3 1HB ASP 3 -9.776 0.485 -19.385
18 2HB ASP 3 2HB ASP 3 -10.842 -0.598 -20.275
19 H VAL 4 H VAL 4 -9.334 -2.051 -18.743
20 HA VAL 4 HA VAL 4 -10.718 -4.504 -18.070
21 HB VAL 4 HB VAL 4 -11.216 -3.838 -20.548
22 1HG1 VAL 4 1HG1 VAL 4 -8.853 -3.395 -21.119
23 2HG1 VAL 4 2HG1 VAL 4 -8.496 -5.103 -20.859
24 3HG1 VAL 4 3HG1 VAL 4 -9.591 -4.618 -22.154
25 1HG2 VAL 4 1HG2 VAL 4 -10.866 -6.327 -19.173
26 2HG2 VAL 4 2HG2 VAL 4 -12.039 -5.896 -20.417
27 3HG2 VAL 4 3HG2 VAL 4 -10.457 -6.524 -20.877
28 H GLN 5 H GLN 5 -8.198 -2.830 -17.523
29 HA GLN 5 HA GLN 5 -6.088 -4.704 -18.210
30 1HB GLN 5 1HB GLN 5 -6.227 -1.949 -17.113
31 2HB GLN 5 2HB GLN 5 -4.843 -2.920 -16.633
32 1HG GLN 5 1HG GLN 5 -4.095 -1.794 -18.512
33 2HG GLN 5 2HG GLN 5 -4.543 -3.382 -19.134
34 2HE2 GLN 5 2HE2 GLN 5 -4.366 -0.682 -20.390
35 1HE2 GLN 5 1HE2 GLN 5 -5.900 -0.445 -21.149
36 H ASP 6 H ASP 6 -4.475 -5.163 -16.348
37 HA ASP 6 HA ASP 6 -6.037 -6.337 -14.167
38 1HB ASP 6 1HB ASP 6 -3.236 -6.903 -15.156
39 2HB ASP 6 2HB ASP 6 -3.964 -7.683 -13.754
40 H CYS 7 H CYS 7 -5.424 -6.122 -11.997
41 HA CYS 7 HA CYS 7 -3.417 -4.086 -11.371
42 1HB CYS 7 1HB CYS 7 -5.983 -3.309 -11.457
43 2HB CYS 7 2HB CYS 7 -5.952 -3.956 -9.820
44 HA PRO 8 HA PRO 8 -2.603 -7.048 -8.189
45 1HB PRO 8 1HB PRO 8 -0.568 -5.748 -6.985
46 2HB PRO 8 2HB PRO 8 -0.409 -6.491 -8.579
47 1HG PRO 8 1HG PRO 8 -0.622 -3.638 -7.842
48 2HG PRO 8 2HG PRO 8 0.137 -4.384 -9.257
49 1HD PRO 8 1HD PRO 8 -2.420 -3.148 -9.115
50 2HD PRO 8 2HD PRO 8 -1.723 -4.021 -10.491
51 H GLU 9 H GLU 9 -2.015 -6.908 -5.705
52 HA GLU 9 HA GLU 9 -4.265 -5.578 -4.462
53 1HB GLU 9 1HB GLU 9 -3.987 -7.794 -3.720
54 2HB GLU 9 2HB GLU 9 -2.251 -7.603 -3.521
55 1HG GLU 9 1HG GLU 9 -3.385 -5.716 -1.813
56 2HG GLU 9 2HG GLU 9 -4.377 -7.162 -1.634
57 H CYS 10 H CYS 10 -4.185 -3.932 -3.056
58 HA CYS 10 HA CYS 10 -2.322 -1.965 -3.155
59 1HB CYS 10 1HB CYS 10 -4.407 -1.524 -2.088
60 2HB CYS 10 2HB CYS 10 -4.123 -2.763 -0.871
61 H THR 11 H THR 11 -0.202 -1.973 -2.758
62 HA THR 11 HA THR 11 0.862 -2.537 -0.231
63 HB THR 11 HB THR 11 0.561 -4.865 -0.679
64 HG1 THR 11 HG1 THR 11 2.455 -4.989 0.187
65 1HG2 THR 11 1HG2 THR 11 0.946 -4.230 -3.362
66 2HG2 THR 11 2HG2 THR 11 2.317 -5.244 -2.915
67 3HG2 THR 11 3HG2 THR 11 0.671 -5.827 -2.667
68 H LEU 12 H LEU 12 3.423 -3.173 -0.740
69 HA LEU 12 HA LEU 12 4.347 -0.777 -2.062
70 1HB LEU 12 1HB LEU 12 5.674 -2.880 -0.401
71 2HB LEU 12 2HB LEU 12 6.588 -1.631 -1.225
72 HG LEU 12 HG LEU 12 5.322 0.100 0.024
73 1HD1 LEU 12 1HD1 LEU 12 3.284 -1.238 0.375
74 2HD1 LEU 12 2HD1 LEU 12 4.166 -2.267 1.503
75 3HD1 LEU 12 3HD1 LEU 12 3.909 -0.563 1.880
76 1HD2 LEU 12 1HD2 LEU 12 7.405 -1.443 0.865
77 2HD2 LEU 12 2HD2 LEU 12 6.809 0.008 1.661
78 3HD2 LEU 12 3HD2 LEU 12 6.276 -1.577 2.214
79 H GLN 13 H GLN 13 5.242 -0.632 -3.963
80 HA GLN 13 HA GLN 13 5.508 -3.059 -5.536
81 1HB GLN 13 1HB GLN 13 5.610 -0.160 -6.259
82 2HB GLN 13 2HB GLN 13 5.898 -1.461 -7.410
83 1HG GLN 13 1HG GLN 13 3.508 -2.030 -6.016
84 2HG GLN 13 2HG GLN 13 3.436 -0.357 -6.566
85 2HE2 GLN 13 2HE2 GLN 13 2.395 -3.226 -7.378
86 1HE2 GLN 13 1HE2 GLN 13 2.488 -3.164 -9.102
87 H GLU 14 H GLU 14 7.242 -3.038 -3.676
88 HA GLU 14 HA GLU 14 9.521 -2.255 -3.188
89 1HB GLU 14 1HB GLU 14 9.094 -4.706 -3.174
90 2HB GLU 14 2HB GLU 14 9.666 -4.757 -4.837
91 1HG GLU 14 1HG GLU 14 11.808 -3.690 -3.957
92 2HG GLU 14 2HG GLU 14 11.215 -4.106 -2.350
93 H ASN 15 H ASN 15 10.700 -0.852 -3.924
94 HA ASN 15 HA ASN 15 10.911 0.287 -6.330
95 1HB ASN 15 1HB ASN 15 12.088 0.682 -4.002
96 2HB ASN 15 2HB ASN 15 13.455 -0.002 -4.871
97 2HD2 ASN 15 2HD2 ASN 15 11.089 2.518 -4.821
98 1HD2 ASN 15 1HD2 ASN 15 11.974 3.650 -5.778
99 HA PRO 16 HA PRO 16 12.767 -3.163 -8.631
100 1HB PRO 16 1HB PRO 16 11.934 -1.624 -10.973
101 2HB PRO 16 2HB PRO 16 11.450 -3.250 -10.487
102 1HG PRO 16 1HG PRO 16 9.757 -1.138 -10.398
103 2HG PRO 16 2HG PRO 16 9.657 -2.495 -9.263
104 1HD PRO 16 1HD PRO 16 10.831 0.230 -8.862
105 2HD PRO 16 2HD PRO 16 9.863 -0.756 -7.745
106 H PHE 17 H PHE 17 13.540 -0.119 -8.017
107 HA PHE 17 HA PHE 17 15.817 0.014 -9.869
108 1HB PHE 17 1HB PHE 17 14.298 1.954 -9.966
109 2HB PHE 17 2HB PHE 17 14.500 2.198 -8.235
110 HD1 PHE 17 HD1 PHE 17 16.899 2.615 -7.395
111 HD2 PHE 17 HD2 PHE 17 15.702 3.044 -11.455
112 HE1 PHE 17 HE1 PHE 17 18.850 4.054 -7.813
113 HE2 PHE 17 HE2 PHE 17 17.650 4.487 -11.881
114 HZ PHE 17 HZ PHE 17 19.227 4.991 -10.059
115 H PHE 18 H PHE 18 14.887 0.874 -6.558
116 HA PHE 18 HA PHE 18 17.570 0.922 -5.585
117 1HB PHE 18 1HB PHE 18 15.090 1.813 -4.684
118 2HB PHE 18 2HB PHE 18 15.523 0.536 -3.554
119 HD1 PHE 18 HD1 PHE 18 18.080 0.666 -2.782
120 HD2 PHE 18 HD2 PHE 18 15.724 3.942 -4.130
121 HE1 PHE 18 HE1 PHE 18 19.560 2.219 -1.573
122 HE2 PHE 18 HE2 PHE 18 17.202 5.500 -2.929
123 HZ PHE 18 HZ PHE 18 19.118 4.640 -1.645
124 H SER 19 H SER 19 15.096 -1.479 -5.909
125 HA SER 19 HA SER 19 15.693 -3.331 -3.990
126 1HB SER 19 1HB SER 19 14.820 -3.648 -6.850
127 2HB SER 19 2HB SER 19 15.110 -5.064 -5.838
128 HG SER 19 HG SER 19 13.182 -4.729 -5.099
129 H GLN 20 H GLN 20 17.786 -3.596 -3.399
130 HA GLN 20 HA GLN 20 19.528 -4.959 -5.330
131 1HB GLN 20 1HB GLN 20 20.554 -2.884 -5.404
132 2HB GLN 20 2HB GLN 20 20.108 -2.489 -3.750
133 1HG GLN 20 1HG GLN 20 21.855 -3.734 -2.850
134 2HG GLN 20 2HG GLN 20 22.094 -4.648 -4.338
135 2HE2 GLN 20 2HE2 GLN 20 24.134 -3.341 -2.916
136 1HE2 GLN 20 1HE2 GLN 20 24.768 -2.084 -3.918
137 HA PRO 21 HA PRO 21 20.040 -8.226 -2.392
138 1HB PRO 21 1HB PRO 21 22.935 -7.576 -2.807
139 2HB PRO 21 2HB PRO 21 22.135 -9.151 -2.777
140 1HG PRO 21 1HG PRO 21 22.811 -7.908 -5.083
141 2HG PRO 21 2HG PRO 21 21.401 -8.971 -4.944
142 1HD PRO 21 1HD PRO 21 21.500 -6.073 -5.319
143 2HD PRO 21 2HD PRO 21 20.129 -7.181 -5.505
144 H GLY 22 H GLY 22 19.186 -6.721 -0.721
145 1HA GLY 22 1HA GLY 22 21.323 -5.620 0.990
146 2HA GLY 22 2HA GLY 22 20.060 -6.638 1.665
147 H ALA 23 H ALA 23 18.776 -4.776 -0.800
148 HA ALA 23 HA ALA 23 17.309 -3.164 1.066
149 1HB ALA 23 1HB ALA 23 19.630 -2.026 0.494
150 2HB ALA 23 3HB ALA 23 18.155 -1.074 0.659
151 3HB ALA 23 2HB ALA 23 18.751 -1.509 -0.944
152 HA PRO 24 HA PRO 24 14.709 -3.683 -2.506
153 1HB PRO 24 1HB PRO 24 12.813 -4.985 -1.131
154 2HB PRO 24 2HB PRO 24 14.342 -5.765 -1.546
155 1HG PRO 24 1HG PRO 24 13.353 -4.915 1.077
156 2HG PRO 24 2HG PRO 24 14.694 -6.003 0.685
157 1HD PRO 24 1HD PRO 24 14.740 -3.138 1.297
158 2HD PRO 24 2HD PRO 24 16.072 -4.314 1.286
159 H ILE 25 H ILE 25 14.710 -1.167 -1.930
160 HA ILE 25 HA ILE 25 12.901 0.131 -0.444
161 HB ILE 25 HB ILE 25 13.798 0.631 -3.261
162 1HG1 ILE 25 1HG1 ILE 25 15.574 0.636 -1.691
163 2HG1 ILE 25 2HG1 ILE 25 15.172 2.330 -1.981
164 1HG2 ILE 25 1HG2 ILE 25 12.123 2.285 -1.399
165 2HG2 ILE 25 2HG2 ILE 25 13.164 3.056 -2.592
166 3HG2 ILE 25 3HG2 ILE 25 11.865 1.987 -3.115
167 1HD1 ILE 25 1HD1 ILE 25 13.663 2.178 0.030
168 2HD1 ILE 25 2HD1 ILE 25 14.442 0.634 0.373
169 3HD1 ILE 25 3HD1 ILE 25 15.397 2.115 0.343
170 H LEU 26 H LEU 26 10.985 1.453 -1.659
171 HA LEU 26 HA LEU 26 9.197 -0.441 -2.958
172 1HB LEU 26 1HB LEU 26 8.005 0.942 -0.720
173 2HB LEU 26 2HB LEU 26 7.952 -0.766 -1.147
174 HG LEU 26 HG LEU 26 10.467 0.328 -0.128
175 1HD1 LEU 26 1HD1 LEU 26 8.251 0.926 1.298
176 2HD1 LEU 26 2HD1 LEU 26 8.723 -0.619 2.005
177 3HD1 LEU 26 3HD1 LEU 26 9.866 0.719 1.975
178 1HD2 LEU 26 1HD2 LEU 26 9.718 -2.134 -0.854
179 2HD2 LEU 26 2HD2 LEU 26 10.976 -1.818 0.340
180 3HD2 LEU 26 3HD2 LEU 26 9.339 -2.204 0.867
181 H GLN 27 H GLN 27 6.914 0.764 -2.412
182 HA GLN 27 HA GLN 27 6.551 3.440 -2.726
183 1HB GLN 27 1HB GLN 27 7.974 3.506 -4.630
184 2HB GLN 27 2HB GLN 27 7.196 2.106 -5.353
185 1HG GLN 27 1HG GLN 27 5.207 3.386 -5.809
186 2HG GLN 27 2HG GLN 27 5.856 4.772 -4.936
187 2HE2 GLN 27 2HE2 GLN 27 6.850 2.574 -7.544
188 1HE2 GLN 27 1HE2 GLN 27 7.463 3.812 -8.581
189 H CYS 28 H CYS 28 4.948 1.948 -1.480
190 HA CYS 28 HA CYS 28 3.034 0.344 -2.115
191 1HB CYS 28 1HB CYS 28 2.416 3.086 -1.017
192 2HB CYS 28 2HB CYS 28 1.283 1.740 -1.009
193 H MET 29 H MET 29 2.089 -0.153 -3.969
194 HA MET 29 HA MET 29 0.348 1.757 -5.236
195 1HB MET 29 1HB MET 29 2.949 1.713 -6.187
196 2HB MET 29 2HB MET 29 2.089 0.661 -7.302
197 1HG MET 29 1HG MET 29 1.796 2.662 -8.340
198 2HG MET 29 2HG MET 29 0.357 2.635 -7.323
199 1HE MET 29 1HE MET 29 2.070 4.907 -8.842
200 2HE MET 29 2HE MET 29 0.701 5.649 -8.015
201 3HE MET 29 3HE MET 29 2.330 6.264 -7.746
202 H GLY 30 H GLY 30 -1.393 0.470 -5.193
203 1HA GLY 30 1HA GLY 30 -1.778 -2.147 -5.133
204 2HA GLY 30 2HA GLY 30 -1.311 -1.955 -6.815
205 H CYS 31 H CYS 31 -3.891 -2.583 -5.179
206 HA CYS 31 HA CYS 31 -5.702 -0.541 -6.153
207 1HB CYS 31 1HB CYS 31 -5.290 -3.107 -7.537
208 2HB CYS 31 2HB CYS 31 -6.974 -2.730 -7.188
209 H CYS 32 H CYS 32 -7.201 -0.266 -4.634
210 HA CYS 32 HA CYS 32 -7.627 -2.369 -2.658
211 1HB CYS 32 1HB CYS 32 -8.919 0.340 -2.562
212 2HB CYS 32 2HB CYS 32 -8.470 -0.718 -1.229
213 H PHE 33 H PHE 33 -9.127 -3.827 -3.144
214 HA PHE 33 HA PHE 33 -11.511 -2.989 -4.631
215 1HB PHE 33 1HB PHE 33 -11.816 -5.611 -4.637
216 2HB PHE 33 2HB PHE 33 -10.711 -4.827 -5.760
217 HD1 PHE 33 HD1 PHE 33 -10.766 -6.379 -2.373
218 HD2 PHE 33 HD2 PHE 33 -8.541 -5.580 -5.912
219 HE1 PHE 33 HE1 PHE 33 -8.921 -7.766 -1.521
220 HE2 PHE 33 HE2 PHE 33 -6.692 -6.966 -5.066
221 HZ PHE 33 HZ PHE 33 -6.880 -8.060 -2.868
222 H SER 34 H SER 34 -13.597 -3.816 -3.994
223 HA SER 34 HA SER 34 -14.191 -5.111 -1.616
224 1HB SER 34 1HB SER 34 -13.259 -3.314 -0.352
225 2HB SER 34 2HB SER 34 -14.059 -2.103 -1.352
226 HG SER 34 HG SER 34 -15.015 -3.528 0.785
227 H ARG 35 H ARG 35 -15.513 -2.051 -2.874
228 HA ARG 35 HA ARG 35 -17.682 -1.540 -3.448
229 1HB ARG 35 1HB ARG 35 -17.594 -3.935 -5.236
230 2HB ARG 35 2HB ARG 35 -18.163 -2.307 -5.580
231 1HG ARG 35 1HG ARG 35 -15.892 -1.488 -5.670
232 2HG ARG 35 2HG ARG 35 -15.274 -3.074 -5.205
233 1HD ARG 35 1HD ARG 35 -15.536 -2.189 -7.767
234 2HD ARG 35 2HD ARG 35 -15.460 -3.883 -7.286
235 HE ARG 35 HE ARG 35 -18.064 -2.544 -7.482
236 1HH1 ARG 35 1HH1 ARG 35 -15.825 -4.970 -8.609
237 2HH1 ARG 35 2HH1 ARG 35 -17.008 -5.798 -9.562
238 1HH2 ARG 35 1HH2 ARG 35 -19.621 -3.632 -8.729
239 2HH2 ARG 35 2HH2 ARG 35 -19.165 -5.039 -9.631
240 H ALA 36 H ALA 36 -19.720 -3.216 -4.480
241 HA ALA 36 HA ALA 36 -20.868 -4.128 -2.023
242 1HB ALA 36 2HB ALA 36 -21.939 -4.497 -4.817
243 2HB ALA 36 3HB ALA 36 -22.165 -3.042 -3.847
244 3HB ALA 36 1HB ALA 36 -22.845 -4.576 -3.305
245 H TYR 37 H TYR 37 -20.015 -5.920 -1.156
246 HA TYR 37 HA TYR 37 -20.662 -8.429 -1.670
247 1HB TYR 37 1HB TYR 37 -19.893 -8.440 -3.929
248 2HB TYR 37 2HB TYR 37 -18.340 -7.747 -3.474
249 HD1 TYR 37 HD1 TYR 37 -20.296 -10.648 -2.154
250 HD2 TYR 37 HD2 TYR 37 -16.670 -9.283 -3.911
251 HE1 TYR 37 HE1 TYR 37 -19.355 -12.911 -1.957
252 HE2 TYR 37 HE2 TYR 37 -15.718 -11.542 -3.720
253 HH TYR 37 HH TYR 37 -16.000 -13.568 -2.593
254 HA PRO 38 HA PRO 38 -17.439 -7.674 1.617
255 1HB PRO 38 1HB PRO 38 -19.050 -7.831 3.764
256 2HB PRO 38 2HB PRO 38 -18.852 -6.330 2.851
257 1HG PRO 38 1HG PRO 38 -21.062 -8.345 2.731
258 2HG PRO 38 2HG PRO 38 -21.162 -6.574 2.734
259 1HD PRO 38 1HD PRO 38 -21.343 -8.096 0.470
260 2HD PRO 38 2HD PRO 38 -20.743 -6.427 0.483
261 H THR 39 H THR 39 -17.035 -9.098 3.600
262 HA THR 39 HA THR 39 -18.159 -11.773 3.423
263 HB THR 39 HB THR 39 -15.721 -12.674 3.436
264 HG1 THR 39 HG1 THR 39 -14.291 -11.172 3.226
265 1HG2 THR 39 1HG2 THR 39 -17.106 -11.628 0.994
266 2HG2 THR 39 2HG2 THR 39 -15.586 -12.519 0.905
267 3HG2 THR 39 3HG2 THR 39 -17.019 -13.285 1.592
268 HA PRO 40 HA PRO 40 -17.368 -11.948 7.750
269 1HB PRO 40 1HB PRO 40 -16.141 -14.601 7.620
270 2HB PRO 40 2HB PRO 40 -17.705 -14.127 8.288
271 1HG PRO 40 1HG PRO 40 -17.475 -15.588 6.024
272 2HG PRO 40 2HG PRO 40 -18.802 -14.446 6.293
273 1HD PRO 40 1HD PRO 40 -16.313 -14.112 4.660
274 2HD PRO 40 2HD PRO 40 -17.977 -13.604 4.296
275 H LEU 41 H LEU 41 -14.703 -12.735 5.652
276 HA LEU 41 HA LEU 41 -12.760 -12.296 7.794
277 1HB LEU 41 1HB LEU 41 -11.719 -12.800 5.109
278 2HB LEU 41 2HB LEU 41 -11.337 -13.587 6.628
279 HG LEU 41 HG LEU 41 -13.907 -14.486 5.992
280 1HD1 LEU 41 1HD1 LEU 41 -12.266 -14.009 3.570
281 2HD1 LEU 41 2HD1 LEU 41 -13.145 -15.535 3.681
282 3HD1 LEU 41 3HD1 LEU 41 -14.017 -14.005 3.774
283 1HD2 LEU 41 1HD2 LEU 41 -11.168 -15.706 5.775
284 2HD2 LEU 41 2HD2 LEU 41 -12.345 -15.883 7.076
285 3HD2 LEU 41 3HD2 LEU 41 -12.647 -16.627 5.507
286 H ARG 42 H ARG 42 -14.033 -10.002 7.366
287 HA ARG 42 HA ARG 42 -12.114 -8.127 6.858
288 1HB ARG 42 1HB ARG 42 -12.906 -9.325 4.426
289 2HB ARG 42 2HB ARG 42 -13.596 -7.708 4.435
290 1HG ARG 42 1HG ARG 42 -10.718 -8.153 5.115
291 2HG ARG 42 2HG ARG 42 -11.256 -8.047 3.437
292 1HD ARG 42 1HD ARG 42 -11.875 -5.956 5.512
293 2HD ARG 42 2HD ARG 42 -10.456 -5.891 4.468
294 HE ARG 42 HE ARG 42 -13.160 -5.283 3.745
295 1HH1 ARG 42 1HH1 ARG 42 -10.086 -6.404 2.556
296 2HH1 ARG 42 2HH1 ARG 42 -10.376 -5.882 0.930
297 1HH2 ARG 42 1HH2 ARG 42 -13.556 -4.591 1.605
298 2HH2 ARG 42 2HH2 ARG 42 -12.351 -4.850 0.390
299 H SER 43 H SER 43 -15.468 -9.008 6.743
300 HA SER 43 HA SER 43 -16.189 -6.244 7.472
301 1HB SER 43 1HB SER 43 -17.211 -6.762 5.362
302 2HB SER 43 2HB SER 43 -17.785 -8.320 5.959
303 HG SER 43 HG SER 43 -19.406 -7.359 6.933
304 H LYS 44 H LYS 44 -15.431 -8.781 9.059
305 HA LYS 44 HA LYS 44 -16.041 -9.807 11.000
306 1HB LYS 44 1HB LYS 44 -17.522 -7.190 11.223
307 2HB LYS 44 2HB LYS 44 -17.546 -8.387 12.511
308 1HG LYS 44 1HG LYS 44 -15.003 -7.246 11.385
309 2HG LYS 44 2HG LYS 44 -15.861 -6.536 12.753
310 1HD LYS 44 1HD LYS 44 -14.676 -7.916 14.047
311 2HD LYS 44 2HD LYS 44 -15.687 -9.216 13.412
312 1HE LYS 44 1HE LYS 44 -13.890 -9.074 11.438
313 2HE LYS 44 2HE LYS 44 -12.889 -8.486 12.765
314 1HZ LYS 44 1HZ LYS 44 -14.465 -10.902 13.229
315 2HZ LYS 44 2HZ LYS 44 -13.115 -11.038 12.219
316 3HZ LYS 44 3HZ LYS 44 -12.930 -10.486 13.806
317 H LYS 45 H LYS 45 -18.422 -9.921 12.430
318 HA LYS 45 HA LYS 45 -20.124 -11.365 10.523
319 1HB LYS 45 1HB LYS 45 -19.113 -12.046 13.058
320 2HB LYS 45 2HB LYS 45 -20.836 -11.785 13.286
321 1HG LYS 45 1HG LYS 45 -19.556 -13.679 11.324
322 2HG LYS 45 2HG LYS 45 -20.402 -14.108 12.811
323 1HD LYS 45 1HD LYS 45 -22.461 -13.720 11.917
324 2HD LYS 45 2HD LYS 45 -21.874 -12.454 10.837
325 1HE LYS 45 1HE LYS 45 -22.637 -14.590 9.727
326 2HE LYS 45 2HE LYS 45 -21.022 -14.030 9.297
327 1HZ LYS 45 1HZ LYS 45 -21.643 -16.157 11.275
328 2HZ LYS 45 2HZ LYS 45 -21.059 -16.409 9.708
329 3HZ LYS 45 3HZ LYS 45 -20.092 -15.624 10.854
330 H THR 46 H THR 46 -20.061 -8.647 12.645
331 HA THR 46 HA THR 46 -22.964 -8.288 12.289
332 HB THR 46 HB THR 46 -23.130 -7.344 14.358
333 HG1 THR 46 HG1 THR 46 -21.790 -5.867 15.079
334 1HG2 THR 46 1HG2 THR 46 -20.751 -9.133 14.497
335 2HG2 THR 46 2HG2 THR 46 -21.265 -8.233 15.924
336 3HG2 THR 46 3HG2 THR 46 -22.375 -9.362 15.148
337 H MET 47 H MET 47 -23.715 -6.070 12.035
338 HA MET 47 HA MET 47 -22.048 -3.909 11.413
339 1HB MET 47 1HB MET 47 -22.336 -3.808 8.962
340 2HB MET 47 2HB MET 47 -21.367 -5.184 9.468
341 1HG MET 47 1HG MET 47 -24.300 -5.386 8.855
342 2HG MET 47 2HG MET 47 -23.041 -5.610 7.645
343 1HE MET 47 1HE MET 47 -24.709 -7.945 7.514
344 2HE MET 47 2HE MET 47 -24.684 -9.154 8.798
345 3HE MET 47 3HE MET 47 -25.475 -7.601 9.063
346 H LEU 48 H LEU 48 -23.555 -2.767 12.578
347 HA LEU 48 HA LEU 48 -26.290 -2.668 11.516
348 1HB LEU 48 1HB LEU 48 -25.073 -2.222 14.185
349 2HB LEU 48 2HB LEU 48 -26.474 -1.250 13.780
350 HG LEU 48 HG LEU 48 -27.879 -2.947 14.146
351 1HD1 LEU 48 1HD1 LEU 48 -25.984 -4.488 12.427
352 2HD1 LEU 48 2HD1 LEU 48 -27.247 -5.333 13.323
353 3HD1 LEU 48 3HD1 LEU 48 -27.680 -4.088 12.151
354 1HD2 LEU 48 1HD2 LEU 48 -25.402 -3.602 15.509
355 2HD2 LEU 48 2HD2 LEU 48 -27.065 -3.654 16.094
356 3HD2 LEU 48 3HD2 LEU 48 -26.399 -5.025 15.205
357 H VAL 49 H VAL 49 -25.364 -1.358 9.709
358 HA VAL 49 HA VAL 49 -25.047 0.625 8.632
359 HB VAL 49 HB VAL 49 -26.175 2.430 10.584
360 1HG1 VAL 49 1HG1 VAL 49 -26.861 1.451 7.839
361 2HG1 VAL 49 2HG1 VAL 49 -27.962 2.505 8.725
362 3HG1 VAL 49 3HG1 VAL 49 -26.328 3.052 8.350
363 1HG2 VAL 49 1HG2 VAL 49 -27.622 -0.159 10.100
364 2HG2 VAL 49 2HG2 VAL 49 -27.283 0.641 11.635
365 3HG2 VAL 49 3HG2 VAL 49 -28.472 1.327 10.527
366 H GLN 50 H GLN 50 -24.084 2.846 8.795
367 HA GLN 50 HA GLN 50 -22.575 3.600 11.073
368 1HB GLN 50 1HB GLN 50 -21.212 1.666 10.398
369 2HB GLN 50 2HB GLN 50 -21.018 2.361 8.795
370 1HG GLN 50 1HG GLN 50 -19.353 3.676 9.455
371 2HG GLN 50 2HG GLN 50 -20.227 4.198 10.895
372 2HE2 GLN 50 2HE2 GLN 50 -18.105 1.764 9.557
373 1HE2 GLN 50 1HE2 GLN 50 -17.522 1.163 11.069
374 H LYS 51 H LYS 51 -21.823 5.673 10.891
375 HA LYS 51 HA LYS 51 -22.887 7.298 8.872
376 1HB LYS 51 1HB LYS 51 -21.403 7.662 11.294
377 2HB LYS 51 2HB LYS 51 -20.685 8.654 10.032
378 1HG LYS 51 1HG LYS 51 -23.544 8.697 10.964
379 2HG LYS 51 2HG LYS 51 -22.323 9.949 11.193
380 1HD LYS 51 1HD LYS 51 -23.048 9.054 8.433
381 2HD LYS 51 2HD LYS 51 -24.089 10.191 9.291
382 1HE LYS 51 1HE LYS 51 -21.208 10.531 8.500
383 2HE LYS 51 2HE LYS 51 -22.597 11.501 8.012
384 1HZ LYS 51 1HZ LYS 51 -22.765 11.959 10.545
385 2HZ LYS 51 2HZ LYS 51 -21.135 11.507 10.560
386 3HZ LYS 51 3HZ LYS 51 -21.642 12.812 9.612
387 H ASN 52 H ASN 52 -22.148 7.998 6.966
388 HA ASN 52 HA ASN 52 -20.835 8.249 5.130
389 1HB ASN 52 1HB ASN 52 -18.814 8.216 7.333
390 2HB ASN 52 2HB ASN 52 -18.252 8.131 5.666
391 2HD2 ASN 52 2HD2 ASN 52 -19.958 9.749 4.351
392 1HD2 ASN 52 1HD2 ASN 52 -19.824 11.372 4.932
393 H VAL 53 H VAL 53 -21.117 6.599 3.778
394 HA VAL 53 HA VAL 53 -19.361 4.270 4.058
395 HB VAL 53 HB VAL 53 -22.296 4.004 3.405
396 1HG1 VAL 53 1HG1 VAL 53 -19.986 2.133 3.486
397 2HG1 VAL 53 2HG1 VAL 53 -21.570 1.536 3.981
398 3HG1 VAL 53 3HG1 VAL 53 -21.346 2.204 2.364
399 1HG2 VAL 53 1HG2 VAL 53 -21.768 4.632 5.798
400 2HG2 VAL 53 2HG2 VAL 53 -22.661 3.129 5.573
401 3HG2 VAL 53 3HG2 VAL 53 -20.933 3.084 5.923
402 H THR 54 H THR 54 -18.969 3.137 2.101
403 HA THR 54 HA THR 54 -18.881 2.818 -0.175
404 HB THR 54 HB THR 54 -21.229 4.248 0.050
405 HG1 THR 54 HG1 THR 54 -21.513 2.906 -1.513
406 1HG2 THR 54 1HG2 THR 54 -19.476 5.696 -1.920
407 2HG2 THR 54 2HG2 THR 54 -21.227 5.861 -1.777
408 3HG2 THR 54 3HG2 THR 54 -20.182 6.371 -0.450
409 H SER 55 H SER 55 -16.838 3.141 -0.710
410 HA SER 55 HA SER 55 -15.885 5.915 -0.992
411 1HB SER 55 1HB SER 55 -13.569 4.824 -0.529
412 2HB SER 55 2HB SER 55 -14.644 5.134 0.834
413 HG SER 55 HG SER 55 -15.066 2.695 -0.319
414 H GLU 56 H GLU 56 -16.287 6.063 -3.169
415 HA GLU 56 HA GLU 56 -16.160 4.450 -5.238
416 1HB GLU 56 1HB GLU 56 -16.403 6.898 -5.412
417 2HB GLU 56 2HB GLU 56 -14.668 7.077 -5.202
418 1HG GLU 56 1HG GLU 56 -16.046 6.827 -7.589
419 2HG GLU 56 2HG GLU 56 -14.301 6.736 -7.359
420 H SER 57 H SER 57 -13.149 6.201 -5.306
421 HA SER 57 HA SER 57 -11.703 3.632 -5.314
422 1HB SER 57 1HB SER 57 -11.411 4.170 -7.513
423 2HB SER 57 2HB SER 57 -11.656 5.895 -7.233
424 HG SER 57 HG SER 57 -9.578 6.143 -6.932
425 H THR 58 H THR 58 -10.013 3.458 -3.988
426 HA THR 58 HA THR 58 -9.164 5.862 -2.523
427 HB THR 58 HB THR 58 -8.295 4.229 -0.835
428 HG1 THR 58 HG1 THR 58 -9.831 2.286 -2.176
429 1HG2 THR 58 1HG2 THR 58 -11.116 4.649 -1.461
430 2HG2 THR 58 2HG2 THR 58 -10.791 3.228 -0.469
431 3HG2 THR 58 3HG2 THR 58 -10.246 4.819 0.064
432 H CYS 59 H CYS 59 -6.810 5.296 -1.537
433 HA CYS 59 HA CYS 59 -5.007 4.139 -3.464
434 1HB CYS 59 1HB CYS 59 -3.786 6.578 -3.255
435 2HB CYS 59 2HB CYS 59 -4.744 6.051 -4.636
436 H CYS 60 H CYS 60 -3.394 3.235 -2.368
437 HA CYS 60 HA CYS 60 -3.136 3.680 0.448
438 1HB CYS 60 1HB CYS 60 -1.055 2.143 -1.008
439 2HB CYS 60 2HB CYS 60 -1.899 1.759 0.488
440 H VAL 61 H VAL 61 -2.255 5.556 1.089
441 HA VAL 61 HA VAL 61 0.204 6.488 -0.225
442 HB VAL 61 HB VAL 61 -1.463 8.010 1.780
443 1HG1 VAL 61 1HG1 VAL 61 0.958 8.563 0.193
444 2HG1 VAL 61 2HG1 VAL 61 -0.240 9.857 0.246
445 3HG1 VAL 61 3HG1 VAL 61 0.439 9.222 1.744
446 1HG2 VAL 61 1HG2 VAL 61 -2.041 7.391 -0.972
447 2HG2 VAL 61 2HG2 VAL 61 -3.015 8.270 0.207
448 3HG2 VAL 61 3HG2 VAL 61 -1.816 9.128 -0.761
449 H ALA 62 H ALA 62 1.291 4.682 0.871
450 HA ALA 62 HA ALA 62 2.060 3.623 2.860
451 1HB ALA 62 1HB ALA 62 4.000 5.718 3.173
452 2HB ALA 62 3HB ALA 62 4.193 4.088 2.530
453 3HB ALA 62 2HB ALA 62 3.680 5.400 1.469
454 H LYS 63 H LYS 63 0.846 3.621 4.686
455 HA LYS 63 HA LYS 63 0.038 5.745 6.265
456 1HB LYS 63 1HB LYS 63 -0.665 3.370 6.560
457 2HB LYS 63 2HB LYS 63 0.934 3.006 7.194
458 1HG LYS 63 1HG LYS 63 0.191 5.061 8.804
459 2HG LYS 63 2HG LYS 63 -1.362 4.283 8.495
460 1HD LYS 63 1HD LYS 63 0.690 2.328 9.031
461 2HD LYS 63 2HD LYS 63 0.582 3.505 10.341
462 1HE LYS 63 1HE LYS 63 -2.059 2.903 9.681
463 2HE LYS 63 2HE LYS 63 -1.213 1.355 9.644
464 1HZ LYS 63 1HZ LYS 63 -0.650 3.088 11.915
465 2HZ LYS 63 2HZ LYS 63 -2.197 2.405 11.861
466 3HZ LYS 63 3HZ LYS 63 -0.832 1.407 11.853
467 H SER 64 H SER 64 3.014 4.018 6.027
468 HA SER 64 HA SER 64 4.402 6.059 7.601
469 1HB SER 64 1HB SER 64 4.569 3.067 7.969
470 2HB SER 64 2HB SER 64 5.870 4.143 8.480
471 HG SER 64 HG SER 64 4.001 5.288 9.596
472 H TYR 65 H TYR 65 6.942 5.309 7.313
473 HA TYR 65 HA TYR 65 7.489 4.344 4.656
474 1HB TYR 65 1HB TYR 65 8.671 6.584 4.086
475 2HB TYR 65 2HB TYR 65 6.932 6.443 3.842
476 HD1 TYR 65 HD1 TYR 65 9.350 7.466 6.493
477 HD2 TYR 65 HD2 TYR 65 5.593 8.161 4.625
478 HE1 TYR 65 HE1 TYR 65 9.008 9.432 7.932
479 HE2 TYR 65 HE2 TYR 65 5.236 10.129 6.057
480 HH TYR 65 HH TYR 65 7.335 11.763 7.499
481 H ASN 66 H ASN 66 9.747 4.442 4.087
482 HA ASN 66 HA ASN 66 11.562 4.958 6.332
483 1HB ASN 66 1HB ASN 66 10.939 2.346 5.352
484 2HB ASN 66 2HB ASN 66 12.604 2.731 4.928
485 2HD2 ASN 66 2HD2 ASN 66 14.083 2.309 6.381
486 1HD2 ASN 66 1HD2 ASN 66 13.821 2.119 8.077
487 H ARG 67 H ARG 67 10.718 6.265 4.072
488 HA ARG 67 HA ARG 67 11.651 6.604 1.772
489 1HB ARG 67 1HB ARG 67 12.627 8.939 2.412
490 2HB ARG 67 2HB ARG 67 10.920 8.600 2.659
491 1HG ARG 67 1HG ARG 67 11.251 8.221 4.973
492 2HG ARG 67 2HG ARG 67 13.004 8.298 4.791
493 1HD ARG 67 1HD ARG 67 13.029 10.547 4.812
494 2HD ARG 67 2HD ARG 67 11.590 10.663 3.800
495 HE ARG 67 HE ARG 67 10.281 10.756 5.705
496 1HH1 ARG 67 1HH1 ARG 67 13.589 10.055 6.522
497 2HH1 ARG 67 2HH1 ARG 67 13.358 10.293 8.222
498 1HH2 ARG 67 1HH2 ARG 67 9.959 11.071 7.943
499 2HH2 ARG 67 2HH2 ARG 67 11.292 10.869 9.031
500 H VAL 68 H VAL 68 13.321 6.365 0.527
501 HA VAL 68 HA VAL 68 16.034 6.444 1.623
502 HB VAL 68 HB VAL 68 16.716 4.425 0.632
503 1HG1 VAL 68 1HG1 VAL 68 14.749 4.365 2.503
504 2HG1 VAL 68 2HG1 VAL 68 14.066 3.337 1.247
505 3HG1 VAL 68 3HG1 VAL 68 15.639 2.950 1.939
506 1HG2 VAL 68 1HG2 VAL 68 15.059 5.050 -1.442
507 2HG2 VAL 68 2HG2 VAL 68 15.894 3.511 -1.253
508 3HG2 VAL 68 3HG2 VAL 68 14.219 3.682 -0.731
509 H THR 69 H THR 69 14.661 8.391 0.263
510 HA THR 69 HA THR 69 14.446 9.124 -2.093
511 HB THR 69 HB THR 69 16.781 10.203 -0.529
512 HG1 THR 69 HG1 THR 69 14.574 10.496 0.231
513 1HG2 THR 69 1HG2 THR 69 16.679 10.573 -3.163
514 2HG2 THR 69 2HG2 THR 69 15.543 11.825 -2.665
515 3HG2 THR 69 3HG2 THR 69 17.193 11.833 -2.041
516 H VAL 70 H VAL 70 14.913 8.446 -4.025
517 HA VAL 70 HA VAL 70 17.589 7.352 -4.598
518 HB VAL 70 HB VAL 70 15.690 6.796 -6.662
519 1HG1 VAL 70 1HG1 VAL 70 17.620 5.332 -4.964
520 2HG1 VAL 70 2HG1 VAL 70 16.349 4.383 -5.736
521 3HG1 VAL 70 3HG1 VAL 70 17.438 5.361 -6.716
522 1HG2 VAL 70 1HG2 VAL 70 14.074 6.968 -4.763
523 2HG2 VAL 70 2HG2 VAL 70 14.133 5.373 -5.512
524 3HG2 VAL 70 3HG2 VAL 70 14.941 5.653 -3.970
525 H MET 71 H MET 71 17.320 7.262 -7.305
526 HA MET 71 HA MET 71 18.558 9.333 -8.300
527 1HB MET 71 1HB MET 71 16.462 7.620 -9.498
528 2HB MET 71 2HB MET 71 16.985 9.026 -10.416
529 1HG MET 71 1HG MET 71 19.359 8.175 -9.981
530 2HG MET 71 2HG MET 71 18.581 6.657 -9.545
531 1HE MET 71 1HE MET 71 20.753 7.036 -11.612
532 2HE MET 71 2HE MET 71 20.279 6.858 -13.302
533 3HE MET 71 3HE MET 71 20.243 8.448 -12.537
534 H GLY 72 H GLY 72 18.101 11.300 -9.400
535 1HA GLY 72 1HA GLY 72 15.755 12.619 -9.730
536 2HA GLY 72 2HA GLY 72 17.242 13.438 -9.268
537 H GLY 73 H GLY 73 17.307 11.872 -6.727
538 1HA GLY 73 1HA GLY 73 15.943 13.763 -5.099
539 2HA GLY 73 2HA GLY 73 16.749 12.302 -4.542
540 H PHE 74 H PHE 74 15.144 10.569 -6.283
541 HA PHE 74 HA PHE 74 12.430 10.762 -6.023
542 1HB PHE 74 1HB PHE 74 14.262 8.374 -5.917
543 2HB PHE 74 2HB PHE 74 12.514 8.185 -5.812
544 HD1 PHE 74 HD1 PHE 74 11.971 10.585 -7.731
545 HD2 PHE 74 HD2 PHE 74 14.445 7.130 -7.969
546 HE1 PHE 74 HE1 PHE 74 11.822 10.651 -10.185
547 HE2 PHE 74 HE2 PHE 74 14.302 7.192 -10.424
548 HZ PHE 74 HZ PHE 74 12.988 8.954 -11.535
549 H LYS 75 H LYS 75 11.161 9.076 -4.509
550 HA LYS 75 HA LYS 75 12.144 8.953 -1.824
551 1HB LYS 75 1HB LYS 75 9.926 10.899 -2.475
552 2HB LYS 75 2HB LYS 75 10.346 10.379 -0.847
553 1HG LYS 75 1HG LYS 75 12.626 11.285 -1.198
554 2HG LYS 75 2HG LYS 75 12.100 11.902 -2.763
555 1HD LYS 75 1HD LYS 75 12.040 13.331 -0.474
556 2HD LYS 75 2HD LYS 75 10.968 13.619 -1.845
557 1HE LYS 75 1HE LYS 75 9.306 12.104 -0.786
558 2HE LYS 75 2HE LYS 75 10.365 11.989 0.619
559 1HZ LYS 75 1HZ LYS 75 10.033 14.691 0.091
560 2HZ LYS 75 2HZ LYS 75 8.492 14.001 -0.023
561 3HZ LYS 75 3HZ LYS 75 9.400 13.812 1.391
562 H VAL 76 H VAL 76 11.677 6.808 -1.906
563 HA VAL 76 HA VAL 76 9.018 5.870 -2.512
564 HB VAL 76 HB VAL 76 9.963 3.565 -1.944
565 1HG1 VAL 76 1HG1 VAL 76 11.262 5.435 -3.924
566 2HG1 VAL 76 2HG1 VAL 76 11.928 3.822 -3.696
567 3HG1 VAL 76 3HG1 VAL 76 10.255 4.019 -4.212
568 1HG2 VAL 76 1HG2 VAL 76 11.799 5.281 -0.587
569 2HG2 VAL 76 2HG2 VAL 76 11.743 3.521 -0.596
570 3HG2 VAL 76 3HG2 VAL 76 12.711 4.382 -1.794
571 H GLU 77 H GLU 77 10.107 7.465 -0.150
572 HA GLU 77 HA GLU 77 10.011 7.342 2.200
573 1HB GLU 77 1HB GLU 77 7.511 7.693 0.887
574 2HB GLU 77 2HB GLU 77 7.222 6.645 2.266
575 1HG GLU 77 1HG GLU 77 6.880 8.719 3.168
576 2HG GLU 77 2HG GLU 77 8.574 8.430 3.570
577 H ASN 78 H ASN 78 10.928 5.095 1.042
578 HA ASN 78 HA ASN 78 10.470 2.753 0.860
579 1HB ASN 78 1HB ASN 78 12.614 3.387 2.038
580 2HB ASN 78 2HB ASN 78 11.758 3.112 3.553
581 H HIS 79 H HIS 79 8.195 3.264 1.103
582 HA HIS 79 HA HIS 79 6.595 3.372 3.127
583 1HB HIS 79 1HB HIS 79 6.217 1.519 0.793
584 2HB HIS 79 2HB HIS 79 4.930 2.019 1.899
585 HD1 HIS 79 HD1 HIS 79 4.181 3.083 -0.685
586 HD2 HIS 79 HD2 HIS 79 7.104 4.908 1.592
587 HE1 HIS 79 HE1 HIS 79 4.393 5.425 -1.596
588 H THR 80 H THR 80 6.248 2.559 4.920
589 HA THR 80 HA THR 80 7.060 -0.220 5.435
590 HB THR 80 HB THR 80 7.508 0.378 7.672
591 HG1 THR 80 HG1 THR 80 6.368 1.825 8.661
592 1HG2 THR 80 1HG2 THR 80 8.363 2.462 5.719
593 2HG2 THR 80 2HG2 THR 80 8.754 2.648 7.428
594 3HG2 THR 80 3HG2 THR 80 9.321 1.232 6.544
595 H ALA 81 H ALA 81 4.403 1.762 4.979
596 HA ALA 81 HA ALA 81 2.540 -0.313 5.473
597 1HB ALA 81 1HB ALA 81 2.729 0.211 7.788
598 2HB ALA 81 2HB ALA 81 2.656 1.944 7.469
599 3HB ALA 81 3HB ALA 81 1.225 0.942 7.227
600 H CYS 82 H CYS 82 0.783 0.058 4.169
601 HA CYS 82 HA CYS 82 0.441 2.815 3.168
602 1HB CYS 82 1HB CYS 82 -0.718 0.689 1.506
603 2HB CYS 82 2HB CYS 82 0.218 2.100 1.036
604 H HIS 83 H HIS 83 -1.625 3.658 3.071
605 HA HIS 83 HA HIS 83 -3.783 1.965 4.147
606 1HB HIS 83 1HB HIS 83 -4.592 3.738 5.503
607 2HB HIS 83 2HB HIS 83 -2.857 3.658 5.793
608 HD1 HIS 83 HD1 HIS 83 -5.171 6.139 5.707
609 HD2 HIS 83 HD2 HIS 83 -1.721 5.555 3.465
610 HE1 HIS 83 HE1 HIS 83 -4.531 8.415 4.849
611 HE2 HIS 83 HE2 HIS 83 -2.428 8.041 3.516
612 H CYS 84 H CYS 84 -5.285 1.693 2.653
613 HA CYS 84 HA CYS 84 -5.500 3.147 0.276
614 1HB CYS 84 1HB CYS 84 -7.452 1.352 1.714
615 2HB CYS 84 2HB CYS 84 -7.809 2.066 0.146
616 H SER 85 H SER 85 -5.862 5.284 0.252
617 HA SER 85 HA SER 85 -8.362 6.243 1.409
618 1HB SER 85 1HB SER 85 -6.199 6.645 2.908
619 2HB SER 85 2HB SER 85 -5.987 8.004 1.807
620 HG SER 85 HG SER 85 -8.410 8.268 2.391
621 H THR 86 H THR 86 -9.429 7.129 -0.189
622 HA THR 86 HA THR 86 -8.832 7.662 -2.707
623 HB THR 86 HB THR 86 -11.026 8.160 -2.105
624 HG1 THR 86 HG1 THR 86 -11.065 10.636 -2.386
625 1HG2 THR 86 1HG2 THR 86 -10.008 10.188 -0.130
626 2HG2 THR 86 2HG2 THR 86 -11.700 9.839 -0.483
627 3HG2 THR 86 3HG2 THR 86 -10.681 8.605 0.260
628 H CYS 87 H CYS 87 -8.128 9.429 -3.992
629 HA CYS 87 HA CYS 87 -6.225 11.201 -2.605
630 1HB CYS 87 1HB CYS 87 -5.613 11.048 -5.384
631 2HB CYS 87 2HB CYS 87 -4.644 10.502 -4.021
632 H TYR 88 H TYR 88 -8.821 12.016 -2.724
633 HA TYR 88 HA TYR 88 -8.776 14.075 -4.832
634 1HB TYR 88 1HB TYR 88 -10.938 12.311 -3.874
635 2HB TYR 88 2HB TYR 88 -11.392 13.999 -4.086
636 HD1 TYR 88 HD1 TYR 88 -8.755 13.015 -6.275
637 HD2 TYR 88 HD2 TYR 88 -12.982 12.932 -5.795
638 HE1 TYR 88 HE1 TYR 88 -9.016 12.646 -8.689
639 HE2 TYR 88 HE2 TYR 88 -13.254 12.561 -8.209
640 HH TYR 88 HH TYR 88 -11.710 11.517 -10.097
641 H TYR 89 H TYR 89 -7.376 14.969 -2.943
642 HA TYR 89 HA TYR 89 -7.157 16.275 -1.053
643 1HB TYR 89 1HB TYR 89 -8.220 17.615 -3.184
644 2HB TYR 89 2HB TYR 89 -9.377 18.004 -1.915
645 HD1 TYR 89 HD1 TYR 89 -5.659 17.755 -2.272
646 HD2 TYR 89 HD2 TYR 89 -8.976 19.963 -0.781
647 HE1 TYR 89 HE1 TYR 89 -4.123 19.468 -1.407
648 HE2 TYR 89 HE2 TYR 89 -7.447 21.682 0.087
649 HH TYR 89 HH TYR 89 -5.209 22.508 -0.282
650 H HIS 90 H HIS 90 -7.972 14.708 0.464
651 HA HIS 90 HA HIS 90 -10.350 15.683 1.828
652 1HB HIS 90 1HB HIS 90 -10.806 13.681 0.139
653 2HB HIS 90 2HB HIS 90 -10.198 12.723 1.487
654 HD1 HIS 90 HD1 HIS 90 -12.931 15.242 0.731
655 HD2 HIS 90 HD2 HIS 90 -12.036 12.217 3.433
656 HE1 HIS 90 HE1 HIS 90 -15.003 14.955 2.125
657 HE2 HIS 90 HE2 HIS 90 -14.410 13.175 3.809
658 H LYS 91 H LYS 91 -10.179 15.560 3.997
659 HA LYS 91 HA LYS 91 -7.903 14.037 5.087
660 1HB LYS 91 1HB LYS 91 -7.739 16.579 5.131
661 2HB LYS 91 2HB LYS 91 -9.050 16.549 6.302
662 1HG LYS 91 1HG LYS 91 -7.694 15.961 7.969
663 2HG LYS 91 2HG LYS 91 -6.870 14.746 6.990
664 1HD LYS 91 1HD LYS 91 -6.319 17.596 6.380
665 2HD LYS 91 2HD LYS 91 -5.643 16.940 7.872
666 1HE LYS 91 1HE LYS 91 -4.825 15.001 6.374
667 2HE LYS 91 2HE LYS 91 -5.129 16.113 5.038
668 1HZ LYS 91 1HZ LYS 91 -3.599 17.215 7.238
669 2HZ LYS 91 2HZ LYS 91 -2.824 15.980 6.378
670 3HZ LYS 91 3HZ LYS 91 -3.363 17.366 5.571
671 H SER 92 H SER 92 -8.835 12.235 5.898
672 HA SER 92 HA SER 92 -11.085 12.609 7.763
673 1HB SER 92 1HB SER 92 -10.993 10.992 5.465
674 2HB SER 92 2HB SER 92 -10.857 9.884 6.828
675 HG SER 92 HG SER 92 -12.786 10.599 7.608
No H/Q in entry = 675
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 -9.334 1.157 -20.278
2 H2 ALA 1 H2 ALA 1 -8.850 2.679 -19.651
3 H3 ALA 1 H3 ALA 1 -7.977 1.260 -19.236
4 HA ALA 1 HA ALA 1 -9.275 1.800 -17.415
5 1HB ALA 1 3HB ALA 1 -10.891 3.087 -19.139
6 2HB ALA 1 2HB ALA 1 -11.350 2.678 -17.486
7 3HB ALA 1 1HB ALA 1 -11.860 1.648 -18.824
8 HA PRO 2 HA PRO 2 -9.510 -2.743 -17.935
9 1HB PRO 2 1HB PRO 2 -8.802 -3.204 -15.317
10 2HB PRO 2 2HB PRO 2 -7.646 -3.018 -16.641
11 1HG PRO 2 1HG PRO 2 -8.547 -1.012 -14.615
12 2HG PRO 2 2HG PRO 2 -6.920 -1.306 -15.257
13 1HD PRO 2 1HD PRO 2 -8.433 0.749 -16.107
14 2HD PRO 2 2HD PRO 2 -7.338 -0.121 -17.200
15 H ASP 3 H ASP 3 -11.486 -3.594 -17.881
16 HA ASP 3 HA ASP 3 -13.431 -2.662 -15.936
17 1HB ASP 3 1HB ASP 3 -14.579 -4.716 -17.481
18 2HB ASP 3 2HB ASP 3 -14.824 -2.981 -17.649
19 H VAL 4 H VAL 4 -11.472 -3.992 -14.603
20 HA VAL 4 HA VAL 4 -12.620 -6.636 -14.047
21 HB VAL 4 HB VAL 4 -10.572 -7.419 -13.346
22 1HG1 VAL 4 1HG1 VAL 4 -10.478 -6.786 -15.734
23 2HG1 VAL 4 2HG1 VAL 4 -9.744 -5.251 -15.271
24 3HG1 VAL 4 3HG1 VAL 4 -8.895 -6.764 -14.953
25 1HG2 VAL 4 1HG2 VAL 4 -9.737 -4.567 -12.823
26 2HG2 VAL 4 2HG2 VAL 4 -10.170 -5.776 -11.615
27 3HG2 VAL 4 3HG2 VAL 4 -8.712 -5.983 -12.586
28 H GLN 5 H GLN 5 -12.821 -3.600 -13.007
29 HA GLN 5 HA GLN 5 -13.041 -2.557 -10.932
30 1HB GLN 5 1HB GLN 5 -15.179 -4.297 -11.707
31 2HB GLN 5 2HB GLN 5 -15.087 -4.257 -9.953
32 1HG GLN 5 1HG GLN 5 -15.381 -1.909 -9.900
33 2HG GLN 5 2HG GLN 5 -15.140 -1.773 -11.641
34 2HE2 GLN 5 2HE2 GLN 5 -16.897 -4.490 -11.273
35 1HE2 GLN 5 1HE2 GLN 5 -18.490 -3.840 -11.414
36 H ASP 6 H ASP 6 -14.188 -3.823 -8.575
37 HA ASP 6 HA ASP 6 -13.305 -4.469 -6.556
38 1HB ASP 6 1HB ASP 6 -12.995 -6.751 -8.454
39 2HB ASP 6 2HB ASP 6 -12.279 -6.901 -6.852
40 H CYS 7 H CYS 7 -11.626 -2.668 -7.035
41 HA CYS 7 HA CYS 7 -9.068 -3.042 -7.883
42 1HB CYS 7 1HB CYS 7 -10.359 -1.039 -6.571
43 2HB CYS 7 2HB CYS 7 -9.237 -1.580 -5.325
44 HA PRO 8 HA PRO 8 -7.327 -6.220 -5.347
45 1HB PRO 8 1HB PRO 8 -4.688 -5.595 -5.717
46 2HB PRO 8 2HB PRO 8 -5.667 -6.458 -6.908
47 1HG PRO 8 1HG PRO 8 -4.949 -3.553 -6.792
48 2HG PRO 8 2HG PRO 8 -4.975 -4.646 -8.190
49 1HD PRO 8 1HD PRO 8 -6.968 -2.903 -7.720
50 2HD PRO 8 2HD PRO 8 -7.277 -4.511 -8.410
51 H GLU 9 H GLU 9 -4.952 -6.017 -3.951
52 HA GLU 9 HA GLU 9 -5.749 -4.269 -1.761
53 1HB GLU 9 1HB GLU 9 -5.341 -6.468 -1.017
54 2HB GLU 9 2HB GLU 9 -3.884 -6.618 -1.988
55 1HG GLU 9 1HG GLU 9 -2.716 -5.078 -0.546
56 2HG GLU 9 2HG GLU 9 -4.183 -4.798 0.390
57 H CYS 10 H CYS 10 -4.135 -3.010 -0.637
58 HA CYS 10 HA CYS 10 -2.230 -1.814 -2.516
59 1HB CYS 10 1HB CYS 10 -3.980 -0.405 -1.345
60 2HB CYS 10 2HB CYS 10 -3.105 -0.706 0.153
61 H THR 11 H THR 11 -0.065 -1.455 -1.974
62 HA THR 11 HA THR 11 1.110 -2.003 0.502
63 HB THR 11 HB THR 11 0.542 -4.311 0.201
64 HG1 THR 11 HG1 THR 11 2.470 -4.969 0.695
65 1HG2 THR 11 1HG2 THR 11 1.869 -4.154 -2.495
66 2HG2 THR 11 2HG2 THR 11 1.291 -5.626 -1.716
67 3HG2 THR 11 3HG2 THR 11 0.145 -4.372 -2.191
68 H LEU 12 H LEU 12 3.580 -2.934 -0.198
69 HA LEU 12 HA LEU 12 4.519 -0.761 -1.913
70 1HB LEU 12 1HB LEU 12 5.876 -2.518 0.104
71 2HB LEU 12 2HB LEU 12 6.780 -1.501 -1.002
72 HG LEU 12 HG LEU 12 5.923 0.485 -0.044
73 1HD1 LEU 12 1HD1 LEU 12 3.902 -1.336 1.197
74 2HD1 LEU 12 2HD1 LEU 12 4.254 0.244 1.898
75 3HD1 LEU 12 3HD1 LEU 12 3.654 0.126 0.244
76 1HD2 LEU 12 1HD2 LEU 12 6.705 -1.614 1.950
77 2HD2 LEU 12 2HD2 LEU 12 7.669 -0.298 1.287
78 3HD2 LEU 12 3HD2 LEU 12 6.388 0.049 2.445
79 H GLN 13 H GLN 13 5.652 -1.046 -3.738
80 HA GLN 13 HA GLN 13 5.925 -3.815 -4.627
81 1HB GLN 13 1HB GLN 13 5.167 -1.347 -6.035
82 2HB GLN 13 2HB GLN 13 6.101 -2.542 -6.926
83 1HG GLN 13 1HG GLN 13 4.380 -4.240 -6.183
84 2HG GLN 13 2HG GLN 13 3.400 -2.874 -5.660
85 2HE2 GLN 13 2HE2 GLN 13 2.086 -4.224 -7.313
86 1HE2 GLN 13 1HE2 GLN 13 2.122 -3.627 -8.933
87 H GLU 14 H GLU 14 7.789 -3.203 -3.128
88 HA GLU 14 HA GLU 14 9.976 -2.099 -3.054
89 1HB GLU 14 1HB GLU 14 10.042 -4.421 -2.446
90 2HB GLU 14 2HB GLU 14 10.060 -4.903 -4.137
91 1HG GLU 14 1HG GLU 14 12.237 -3.478 -4.231
92 2HG GLU 14 2HG GLU 14 12.236 -3.712 -2.485
93 H ASN 15 H ASN 15 11.155 -0.859 -4.130
94 HA ASN 15 HA ASN 15 10.939 -0.426 -6.859
95 1HB ASN 15 1HB ASN 15 11.994 0.931 -4.734
96 2HB ASN 15 2HB ASN 15 13.392 0.602 -5.754
97 2HD2 ASN 15 2HD2 ASN 15 10.364 2.215 -5.487
98 1HD2 ASN 15 1HD2 ASN 15 10.530 3.210 -6.889
99 HA PRO 16 HA PRO 16 13.893 -3.634 -8.031
100 1HB PRO 16 1HB PRO 16 12.717 -3.502 -10.663
101 2HB PRO 16 2HB PRO 16 12.605 -4.816 -9.490
102 1HG PRO 16 1HG PRO 16 10.483 -3.249 -10.248
103 2HG PRO 16 2HG PRO 16 10.587 -4.099 -8.696
104 1HD PRO 16 1HD PRO 16 11.124 -1.221 -9.323
105 2HD PRO 16 2HD PRO 16 10.317 -1.935 -7.912
106 H PHE 17 H PHE 17 13.490 -0.516 -8.543
107 HA PHE 17 HA PHE 17 15.379 -0.135 -10.727
108 1HB PHE 17 1HB PHE 17 13.148 1.148 -10.406
109 2HB PHE 17 2HB PHE 17 13.999 2.022 -9.137
110 HD1 PHE 17 HD1 PHE 17 16.482 1.266 -11.336
111 HD2 PHE 17 HD2 PHE 17 13.028 3.727 -11.038
112 HE1 PHE 17 HE1 PHE 17 17.428 2.786 -13.030
113 HE2 PHE 17 HE2 PHE 17 13.962 5.255 -12.733
114 HZ PHE 17 HZ PHE 17 16.165 4.783 -13.728
115 H PHE 18 H PHE 18 14.835 1.255 -7.511
116 HA PHE 18 HA PHE 18 17.565 2.085 -7.251
117 1HB PHE 18 1HB PHE 18 15.571 2.005 -5.004
118 2HB PHE 18 2HB PHE 18 16.886 3.146 -5.272
119 HD1 PHE 18 HD1 PHE 18 16.631 4.307 -7.734
120 HD2 PHE 18 HD2 PHE 18 13.478 2.904 -5.261
121 HE1 PHE 18 HE1 PHE 18 15.074 5.852 -8.854
122 HE2 PHE 18 HE2 PHE 18 11.916 4.445 -6.377
123 HZ PHE 18 HZ PHE 18 12.713 5.921 -8.172
124 H SER 19 H SER 19 16.088 -0.853 -6.921
125 HA SER 19 HA SER 19 17.040 -1.953 -4.570
126 1HB SER 19 1HB SER 19 15.719 -2.931 -6.759
127 2HB SER 19 2HB SER 19 17.286 -3.726 -6.910
128 HG SER 19 HG SER 19 16.333 -5.059 -5.553
129 H GLN 20 H GLN 20 19.065 -1.177 -4.028
130 HA GLN 20 HA GLN 20 21.290 -1.725 -5.836
131 1HB GLN 20 1HB GLN 20 21.126 -0.201 -3.233
132 2HB GLN 20 2HB GLN 20 22.612 -0.437 -4.140
133 1HG GLN 20 1HG GLN 20 20.835 0.576 -6.005
134 2HG GLN 20 2HG GLN 20 20.487 1.480 -4.533
135 2HE2 GLN 20 2HE2 GLN 20 22.342 2.468 -3.443
136 1HE2 GLN 20 1HE2 GLN 20 23.640 3.075 -4.407
137 HA PRO 21 HA PRO 21 22.929 -5.283 -3.852
138 1HB PRO 21 1HB PRO 21 25.485 -4.428 -3.145
139 2HB PRO 21 2HB PRO 21 25.021 -5.080 -4.718
140 1HG PRO 21 1HG PRO 21 25.328 -2.238 -3.859
141 2HG PRO 21 2HG PRO 21 25.757 -2.998 -5.403
142 1HD PRO 21 1HD PRO 21 23.560 -1.494 -5.168
143 2HD PRO 21 2HD PRO 21 23.563 -2.958 -6.173
144 H GLY 22 H GLY 22 21.275 -4.298 -2.131
145 1HA GLY 22 1HA GLY 22 22.693 -3.607 0.338
146 2HA GLY 22 2HA GLY 22 21.719 -5.067 0.325
147 H ALA 23 H ALA 23 20.129 -2.978 -1.689
148 HA ALA 23 HA ALA 23 18.191 -2.398 0.376
149 1HB ALA 23 2HB ALA 23 19.397 -0.484 0.825
150 2HB ALA 23 3HB ALA 23 18.225 0.090 -0.361
151 3HB ALA 23 1HB ALA 23 19.878 -0.265 -0.857
152 HA PRO 24 HA PRO 24 15.773 -2.864 -3.321
153 1HB PRO 24 1HB PRO 24 14.014 -4.502 -2.169
154 2HB PRO 24 2HB PRO 24 15.652 -5.047 -2.542
155 1HG PRO 24 1HG PRO 24 14.433 -4.421 0.073
156 2HG PRO 24 2HG PRO 24 15.799 -5.480 -0.309
157 1HD PRO 24 1HD PRO 24 15.841 -2.752 0.606
158 2HD PRO 24 2HD PRO 24 17.208 -3.840 0.303
159 H ILE 25 H ILE 25 15.315 -0.531 -2.960
160 HA ILE 25 HA ILE 25 13.536 0.648 -1.344
161 HB ILE 25 HB ILE 25 14.087 1.105 -4.265
162 1HG1 ILE 25 1HG1 ILE 25 16.015 1.502 -3.030
163 2HG1 ILE 25 2HG1 ILE 25 15.256 3.096 -3.030
164 1HG2 ILE 25 1HG2 ILE 25 12.391 2.630 -2.313
165 2HG2 ILE 25 2HG2 ILE 25 13.219 3.458 -3.630
166 3HG2 ILE 25 3HG2 ILE 25 12.029 2.213 -3.985
167 1HD1 ILE 25 1HD1 ILE 25 14.950 1.061 -0.839
168 2HD1 ILE 25 2HD1 ILE 25 16.079 2.408 -0.809
169 3HD1 ILE 25 3HD1 ILE 25 14.343 2.716 -0.843
170 H LEU 26 H LEU 26 11.427 1.752 -2.381
171 HA LEU 26 HA LEU 26 9.596 -0.253 -3.392
172 1HB LEU 26 1HB LEU 26 8.549 1.123 -1.112
173 2HB LEU 26 2HB LEU 26 8.600 -0.604 -1.450
174 HG LEU 26 HG LEU 26 11.048 0.826 -0.647
175 1HD1 LEU 26 1HD1 LEU 26 8.904 1.090 0.934
176 2HD1 LEU 26 2HD1 LEU 26 9.519 -0.456 1.517
177 3HD1 LEU 26 3HD1 LEU 26 10.553 0.969 1.550
178 1HD2 LEU 26 1HD2 LEU 26 10.534 -1.767 -1.332
179 2HD2 LEU 26 2HD2 LEU 26 11.934 -1.210 -0.414
180 3HD2 LEU 26 3HD2 LEU 26 10.517 -1.830 0.429
181 H GLN 27 H GLN 27 7.325 0.816 -2.744
182 HA GLN 27 HA GLN 27 6.769 3.473 -2.924
183 1HB GLN 27 1HB GLN 27 8.199 3.129 -5.112
184 2HB GLN 27 2HB GLN 27 6.663 2.588 -5.767
185 1HG GLN 27 1HG GLN 27 6.357 5.053 -4.310
186 2HG GLN 27 2HG GLN 27 7.584 5.201 -5.568
187 2HE2 GLN 27 2HE2 GLN 27 6.870 5.776 -7.480
188 1HE2 GLN 27 1HE2 GLN 27 5.272 5.533 -8.091
189 H CYS 28 H CYS 28 5.166 2.347 -1.705
190 HA CYS 28 HA CYS 28 3.373 0.583 -1.915
191 1HB CYS 28 1HB CYS 28 3.169 3.124 -0.890
192 2HB CYS 28 2HB CYS 28 1.826 3.069 -2.023
193 H MET 29 H MET 29 2.525 -0.532 -3.562
194 HA MET 29 HA MET 29 1.361 0.999 -5.795
195 1HB MET 29 1HB MET 29 3.393 -1.098 -5.838
196 2HB MET 29 2HB MET 29 2.045 -1.419 -6.921
197 1HG MET 29 1HG MET 29 3.811 1.015 -6.901
198 2HG MET 29 2HG MET 29 3.783 -0.267 -8.110
199 1HE MET 29 1HE MET 29 1.521 -0.878 -9.407
200 2HE MET 29 2HE MET 29 0.392 -0.588 -8.083
201 3HE MET 29 3HE MET 29 0.175 0.240 -9.626
202 H GLY 30 H GLY 30 -0.722 0.631 -6.099
203 1HA GLY 30 1HA GLY 30 -1.904 -1.774 -4.880
204 2HA GLY 30 2HA GLY 30 -2.261 -1.379 -6.554
205 H CYS 31 H CYS 31 -3.977 -1.571 -4.123
206 HA CYS 31 HA CYS 31 -4.835 1.089 -3.512
207 1HB CYS 31 1HB CYS 31 -7.180 0.595 -4.533
208 2HB CYS 31 2HB CYS 31 -5.899 1.203 -5.578
209 H CYS 32 H CYS 32 -6.996 1.005 -2.303
210 HA CYS 32 HA CYS 32 -6.763 -0.933 -0.234
211 1HB CYS 32 1HB CYS 32 -8.193 1.519 -0.686
212 2HB CYS 32 2HB CYS 32 -9.304 0.297 -0.072
213 H PHE 33 H PHE 33 -9.329 -1.607 0.436
214 HA PHE 33 HA PHE 33 -10.033 -3.484 -1.713
215 1HB PHE 33 1HB PHE 33 -10.855 -3.701 1.182
216 2HB PHE 33 2HB PHE 33 -10.884 -4.959 -0.049
217 HD1 PHE 33 HD1 PHE 33 -8.508 -2.727 1.754
218 HD2 PHE 33 HD2 PHE 33 -9.154 -6.476 -0.153
219 HE1 PHE 33 HE1 PHE 33 -6.276 -3.474 2.475
220 HE2 PHE 33 HE2 PHE 33 -6.924 -7.229 0.563
221 HZ PHE 33 HZ PHE 33 -5.482 -5.727 1.878
222 H SER 34 H SER 34 -12.559 -4.188 -0.604
223 HA SER 34 HA SER 34 -14.142 -1.747 -0.608
224 1HB SER 34 1HB SER 34 -15.265 -2.081 -2.583
225 2HB SER 34 2HB SER 34 -13.714 -2.794 -3.026
226 HG SER 34 HG SER 34 -16.150 -3.972 -2.761
227 H ARG 35 H ARG 35 -16.614 -3.068 -1.130
228 HA ARG 35 HA ARG 35 -16.856 -4.618 1.355
229 1HB ARG 35 1HB ARG 35 -19.013 -3.804 1.614
230 2HB ARG 35 2HB ARG 35 -18.187 -2.429 0.894
231 1HG ARG 35 1HG ARG 35 -19.038 -3.495 -1.348
232 2HG ARG 35 2HG ARG 35 -20.225 -4.249 -0.281
233 1HD ARG 35 1HD ARG 35 -19.801 -1.372 0.148
234 2HD ARG 35 2HD ARG 35 -20.507 -1.800 -1.410
235 HE ARG 35 HE ARG 35 -21.746 -3.003 0.923
236 1HH1 ARG 35 1HH1 ARG 35 -21.772 -0.428 -1.418
237 2HH1 ARG 35 2HH1 ARG 35 -23.437 -0.031 -1.157
238 1HH2 ARG 35 1HH2 ARG 35 -23.945 -2.491 1.275
239 2HH2 ARG 35 2HH2 ARG 35 -24.673 -1.203 0.374
240 H ALA 36 H ALA 36 -15.899 -5.854 -1.014
241 HA ALA 36 HA ALA 36 -16.191 -7.744 -2.249
242 1HB ALA 36 2HB ALA 36 -18.637 -8.693 -0.999
243 2HB ALA 36 3HB ALA 36 -17.036 -9.429 -1.056
244 3HB ALA 36 1HB ALA 36 -17.410 -8.228 0.179
245 H TYR 37 H TYR 37 -17.387 -8.587 -4.004
246 HA TYR 37 HA TYR 37 -19.876 -7.190 -4.669
247 1HB TYR 37 1HB TYR 37 -17.924 -6.051 -5.777
248 2HB TYR 37 2HB TYR 37 -17.629 -7.549 -6.656
249 HD1 TYR 37 HD1 TYR 37 -20.393 -5.124 -5.978
250 HD2 TYR 37 HD2 TYR 37 -18.585 -7.805 -8.746
251 HE1 TYR 37 HE1 TYR 37 -22.012 -4.434 -7.696
252 HE2 TYR 37 HE2 TYR 37 -20.199 -7.120 -10.470
253 HH TYR 37 HH TYR 37 -21.864 -4.490 -10.497
254 HA PRO 38 HA PRO 38 -20.257 -11.805 -5.077
255 1HB PRO 38 1HB PRO 38 -23.067 -10.919 -4.675
256 2HB PRO 38 2HB PRO 38 -22.191 -12.259 -3.931
257 1HG PRO 38 1HG PRO 38 -22.707 -10.018 -2.569
258 2HG PRO 38 2HG PRO 38 -21.186 -10.903 -2.350
259 1HD PRO 38 1HD PRO 38 -21.713 -8.367 -3.822
260 2HD PRO 38 2HD PRO 38 -20.277 -8.865 -2.906
261 H THR 39 H THR 39 -22.659 -12.622 -6.221
262 HA THR 39 HA THR 39 -22.591 -11.324 -8.868
263 HB THR 39 HB THR 39 -23.286 -14.219 -8.583
264 HG1 THR 39 HG1 THR 39 -20.748 -14.138 -9.159
265 1HG2 THR 39 1HG2 THR 39 -22.257 -12.446 -10.726
266 2HG2 THR 39 2HG2 THR 39 -21.789 -14.146 -10.745
267 3HG2 THR 39 3HG2 THR 39 -23.494 -13.701 -10.787
268 HA PRO 40 HA PRO 40 -26.906 -11.279 -6.965
269 1HB PRO 40 1HB PRO 40 -27.335 -8.641 -7.605
270 2HB PRO 40 2HB PRO 40 -26.694 -9.194 -6.054
271 1HG PRO 40 1HG PRO 40 -25.235 -8.120 -8.434
272 2HG PRO 40 2HG PRO 40 -24.963 -7.796 -6.712
273 1HD PRO 40 1HD PRO 40 -23.406 -9.496 -8.095
274 2HD PRO 40 2HD PRO 40 -23.815 -9.781 -6.391
275 H LEU 41 H LEU 41 -28.270 -12.215 -8.336
276 HA LEU 41 HA LEU 41 -28.420 -11.194 -11.097
277 1HB LEU 41 1HB LEU 41 -29.335 -13.914 -10.206
278 2HB LEU 41 2HB LEU 41 -29.026 -13.355 -11.839
279 HG LEU 41 HG LEU 41 -27.021 -14.063 -9.711
280 1HD1 LEU 41 1HD1 LEU 41 -27.625 -15.060 -12.485
281 2HD1 LEU 41 2HD1 LEU 41 -26.169 -15.494 -11.589
282 3HD1 LEU 41 3HD1 LEU 41 -27.756 -15.942 -10.963
283 1HD2 LEU 41 1HD2 LEU 41 -26.622 -11.870 -11.134
284 2HD2 LEU 41 2HD2 LEU 41 -25.317 -13.010 -10.806
285 3HD2 LEU 41 3HD2 LEU 41 -26.146 -13.042 -12.362
286 H ARG 42 H ARG 42 -30.758 -12.560 -11.802
287 HA ARG 42 HA ARG 42 -32.733 -10.809 -10.609
288 1HB ARG 42 1HB ARG 42 -32.757 -11.036 -13.011
289 2HB ARG 42 2HB ARG 42 -32.867 -12.786 -12.889
290 1HG ARG 42 1HG ARG 42 -34.984 -11.397 -13.425
291 2HG ARG 42 2HG ARG 42 -35.087 -12.744 -12.289
292 1HD ARG 42 1HD ARG 42 -34.693 -11.035 -10.455
293 2HD ARG 42 2HD ARG 42 -34.971 -9.800 -11.681
294 HE ARG 42 HE ARG 42 -36.941 -11.636 -10.563
295 1HH1 ARG 42 1HH1 ARG 42 -36.178 -9.124 -12.856
296 2HH1 ARG 42 2HH1 ARG 42 -37.834 -8.708 -13.144
297 1HH2 ARG 42 1HH2 ARG 42 -39.120 -11.090 -10.934
298 2HH2 ARG 42 2HH2 ARG 42 -39.506 -9.826 -12.051
299 H SER 43 H SER 43 -32.035 -12.337 -8.607
300 HA SER 43 HA SER 43 -34.342 -14.086 -8.227
301 1HB SER 43 1HB SER 43 -32.594 -15.637 -8.889
302 2HB SER 43 2HB SER 43 -31.482 -14.937 -7.712
303 HG SER 43 HG SER 43 -33.944 -16.180 -7.045
304 H LYS 44 H LYS 44 -31.377 -13.512 -6.354
305 HA LYS 44 HA LYS 44 -32.871 -11.926 -4.420
306 1HB LYS 44 1HB LYS 44 -31.224 -14.173 -3.331
307 2HB LYS 44 2HB LYS 44 -32.566 -13.313 -2.589
308 1HG LYS 44 1HG LYS 44 -33.998 -14.433 -4.424
309 2HG LYS 44 2HG LYS 44 -32.627 -15.532 -4.591
310 1HD LYS 44 1HD LYS 44 -33.102 -16.590 -2.671
311 2HD LYS 44 2HD LYS 44 -33.430 -15.081 -1.818
312 1HE LYS 44 1HE LYS 44 -35.317 -16.525 -3.676
313 2HE LYS 44 2HE LYS 44 -35.421 -16.481 -1.917
314 1HZ LYS 44 1HZ LYS 44 -35.631 -14.020 -2.122
315 2HZ LYS 44 2HZ LYS 44 -35.772 -14.216 -3.797
316 3HZ LYS 44 3HZ LYS 44 -36.932 -14.886 -2.765
317 H LYS 45 H LYS 45 -30.903 -12.022 -2.392
318 HA LYS 45 HA LYS 45 -28.413 -11.185 -3.647
319 1HB LYS 45 1HB LYS 45 -30.354 -9.300 -2.922
320 2HB LYS 45 2HB LYS 45 -29.158 -9.244 -1.635
321 1HG LYS 45 1HG LYS 45 -27.935 -7.926 -2.925
322 2HG LYS 45 2HG LYS 45 -27.682 -9.301 -4.000
323 1HD LYS 45 1HD LYS 45 -28.687 -8.062 -5.569
324 2HD LYS 45 2HD LYS 45 -30.190 -8.409 -4.709
325 1HE LYS 45 1HE LYS 45 -30.183 -6.354 -3.619
326 2HE LYS 45 2HE LYS 45 -28.458 -6.107 -3.893
327 1HZ LYS 45 1HZ LYS 45 -30.268 -6.256 -6.202
328 2HZ LYS 45 2HZ LYS 45 -30.202 -4.825 -5.303
329 3HZ LYS 45 3HZ LYS 45 -28.801 -5.429 -6.039
330 H THR 46 H THR 46 -27.314 -12.819 -2.634
331 HA THR 46 HA THR 46 -27.493 -13.032 0.277
332 HB THR 46 HB THR 46 -26.376 -15.132 0.068
333 HG1 THR 46 HG1 THR 46 -26.048 -14.935 -2.688
334 1HG2 THR 46 1HG2 THR 46 -28.781 -14.707 -1.162
335 2HG2 THR 46 2HG2 THR 46 -27.840 -15.522 -2.411
336 3HG2 THR 46 3HG2 THR 46 -28.050 -16.279 -0.833
337 H MET 47 H MET 47 -24.825 -14.181 0.495
338 HA MET 47 HA MET 47 -22.864 -13.346 1.369
339 1HB MET 47 1HB MET 47 -22.524 -13.830 -1.118
340 2HB MET 47 2HB MET 47 -22.621 -12.090 -1.360
341 1HG MET 47 1HG MET 47 -20.504 -11.833 -0.785
342 2HG MET 47 2HG MET 47 -20.767 -12.673 0.742
343 1HE MET 47 1HE MET 47 -21.479 -15.291 0.434
344 2HE MET 47 2HE MET 47 -21.719 -15.642 -1.276
345 3HE MET 47 3HE MET 47 -20.392 -16.402 -0.397
346 H LEU 48 H LEU 48 -24.833 -11.732 2.282
347 HA LEU 48 HA LEU 48 -23.466 -9.174 2.452
348 1HB LEU 48 1HB LEU 48 -26.043 -9.576 1.082
349 2HB LEU 48 2HB LEU 48 -26.017 -8.261 2.240
350 HG LEU 48 HG LEU 48 -23.707 -8.221 0.465
351 1HD1 LEU 48 1HD1 LEU 48 -25.524 -9.221 -0.994
352 2HD1 LEU 48 2HD1 LEU 48 -26.365 -7.680 -0.823
353 3HD1 LEU 48 3HD1 LEU 48 -24.770 -7.736 -1.573
354 1HD2 LEU 48 1HD2 LEU 48 -25.647 -6.394 1.698
355 2HD2 LEU 48 2HD2 LEU 48 -23.914 -6.205 1.435
356 3HD2 LEU 48 3HD2 LEU 48 -25.045 -5.890 0.119
357 H VAL 49 H VAL 49 -23.075 -9.548 4.614
358 HA VAL 49 HA VAL 49 -25.451 -9.804 6.338
359 HB VAL 49 HB VAL 49 -23.532 -10.429 8.067
360 1HG1 VAL 49 1HG1 VAL 49 -25.125 -12.038 6.167
361 2HG1 VAL 49 2HG1 VAL 49 -23.840 -12.879 7.034
362 3HG1 VAL 49 3HG1 VAL 49 -25.111 -12.047 7.930
363 1HG2 VAL 49 1HG2 VAL 49 -22.367 -11.070 5.371
364 2HG2 VAL 49 2HG2 VAL 49 -21.626 -10.193 6.709
365 3HG2 VAL 49 3HG2 VAL 49 -21.894 -11.931 6.836
366 H GLN 50 H GLN 50 -24.495 -9.004 8.736
367 HA GLN 50 HA GLN 50 -24.253 -6.154 8.333
368 1HB GLN 50 1HB GLN 50 -25.149 -7.910 10.453
369 2HB GLN 50 2HB GLN 50 -24.072 -6.665 11.073
370 1HG GLN 50 1HG GLN 50 -25.498 -4.977 9.894
371 2HG GLN 50 2HG GLN 50 -26.634 -6.281 9.552
372 2HE2 GLN 50 2HE2 GLN 50 -28.035 -6.902 11.083
373 1HE2 GLN 50 1HE2 GLN 50 -28.098 -6.249 12.682
374 H LYS 51 H LYS 51 -22.067 -6.561 7.310
375 HA LYS 51 HA LYS 51 -19.950 -6.712 9.348
376 1HB LYS 51 1HB LYS 51 -19.851 -7.108 6.354
377 2HB LYS 51 2HB LYS 51 -18.425 -7.057 7.381
378 1HG LYS 51 1HG LYS 51 -18.872 -9.094 8.337
379 2HG LYS 51 2HG LYS 51 -20.604 -8.986 8.019
380 1HD LYS 51 1HD LYS 51 -19.492 -10.660 6.595
381 2HD LYS 51 2HD LYS 51 -20.220 -9.357 5.652
382 1HE LYS 51 1HE LYS 51 -18.219 -9.302 4.628
383 2HE LYS 51 2HE LYS 51 -17.732 -8.370 6.044
384 1HZ LYS 51 1HZ LYS 51 -17.119 -10.583 7.058
385 2HZ LYS 51 2HZ LYS 51 -17.281 -11.246 5.510
386 3HZ LYS 51 3HZ LYS 51 -16.129 -10.041 5.799
387 H ASN 52 H ASN 52 -19.727 -4.667 10.099
388 HA ASN 52 HA ASN 52 -20.194 -2.260 9.117
389 1HB ASN 52 1HB ASN 52 -18.995 -2.751 11.267
390 2HB ASN 52 2HB ASN 52 -17.503 -2.881 10.342
391 2HD2 ASN 52 2HD2 ASN 52 -19.528 -0.614 8.949
392 1HD2 ASN 52 1HD2 ASN 52 -18.845 0.809 9.648
393 H VAL 53 H VAL 53 -20.110 -1.843 6.974
394 HA VAL 53 HA VAL 53 -18.134 -2.599 5.175
395 HB VAL 53 HB VAL 53 -19.766 -0.060 5.012
396 1HG1 VAL 53 1HG1 VAL 53 -17.881 -1.356 3.246
397 2HG1 VAL 53 2HG1 VAL 53 -19.466 -1.183 2.491
398 3HG1 VAL 53 3HG1 VAL 53 -18.630 0.235 3.124
399 1HG2 VAL 53 1HG2 VAL 53 -20.984 -2.325 5.428
400 2HG2 VAL 53 2HG2 VAL 53 -21.562 -1.242 4.162
401 3HG2 VAL 53 3HG2 VAL 53 -20.576 -2.643 3.743
402 H THR 54 H THR 54 -16.303 -1.594 4.350
403 HA THR 54 HA THR 54 -14.980 0.209 6.195
404 HB THR 54 HB THR 54 -12.996 -0.155 4.758
405 HG1 THR 54 HG1 THR 54 -14.167 -0.462 2.789
406 1HG2 THR 54 1HG2 THR 54 -13.939 -1.899 6.523
407 2HG2 THR 54 2HG2 THR 54 -14.032 -2.901 5.074
408 3HG2 THR 54 3HG2 THR 54 -12.489 -2.200 5.565
409 H SER 55 H SER 55 -13.449 1.048 3.535
410 HA SER 55 HA SER 55 -15.274 3.278 2.926
411 1HB SER 55 1HB SER 55 -12.817 4.267 2.283
412 2HB SER 55 2HB SER 55 -13.612 4.519 3.837
413 HG SER 55 HG SER 55 -12.125 3.352 4.738
414 H GLU 56 H GLU 56 -14.286 4.422 0.796
415 HA GLU 56 HA GLU 56 -14.083 2.276 -1.212
416 1HB GLU 56 1HB GLU 56 -15.499 4.927 -1.276
417 2HB GLU 56 2HB GLU 56 -15.059 4.097 -2.762
418 1HG GLU 56 1HG GLU 56 -16.440 2.238 -2.229
419 2HG GLU 56 2HG GLU 56 -16.716 2.837 -0.594
420 H SER 57 H SER 57 -13.761 5.620 -2.079
421 HA SER 57 HA SER 57 -11.536 5.469 -3.588
422 1HB SER 57 1HB SER 57 -12.392 7.590 -3.683
423 2HB SER 57 2HB SER 57 -12.703 7.655 -1.948
424 HG SER 57 HG SER 57 -10.345 8.203 -3.361
425 H THR 58 H THR 58 -10.860 7.276 -0.684
426 HA THR 58 HA THR 58 -9.032 7.313 0.675
427 HB THR 58 HB THR 58 -8.388 4.654 1.125
428 HG1 THR 58 HG1 THR 58 -10.420 3.630 1.234
429 1HG2 THR 58 1HG2 THR 58 -9.594 6.748 2.547
430 2HG2 THR 58 2HG2 THR 58 -10.633 5.337 2.744
431 3HG2 THR 58 3HG2 THR 58 -8.926 5.245 3.180
432 H CYS 59 H CYS 59 -6.722 6.670 0.923
433 HA CYS 59 HA CYS 59 -5.468 5.455 -1.383
434 1HB CYS 59 1HB CYS 59 -4.877 8.336 -0.673
435 2HB CYS 59 2HB CYS 59 -4.058 7.387 -1.908
436 H CYS 60 H CYS 60 -3.297 4.886 -1.047
437 HA CYS 60 HA CYS 60 -2.572 4.749 1.782
438 1HB CYS 60 1HB CYS 60 -0.848 3.354 -0.144
439 2HB CYS 60 2HB CYS 60 -1.616 2.754 1.322
440 H VAL 61 H VAL 61 -0.955 5.889 2.631
441 HA VAL 61 HA VAL 61 1.036 7.099 0.833
442 HB VAL 61 HB VAL 61 -0.292 8.501 3.159
443 1HG1 VAL 61 1HG1 VAL 61 2.232 8.913 1.930
444 2HG1 VAL 61 2HG1 VAL 61 1.180 10.256 1.480
445 3HG1 VAL 61 3HG1 VAL 61 1.448 9.877 3.182
446 1HG2 VAL 61 1HG2 VAL 61 -0.685 8.642 0.201
447 2HG2 VAL 61 2HG2 VAL 61 -1.884 8.634 1.495
448 3HG2 VAL 61 3HG2 VAL 61 -0.930 10.085 1.187
449 H ALA 62 H ALA 62 1.971 4.974 1.759
450 HA ALA 62 HA ALA 62 3.063 3.827 3.498
451 1HB ALA 62 1HB ALA 62 5.156 5.825 3.508
452 2HB ALA 62 3HB ALA 62 5.163 4.176 2.879
453 3HB ALA 62 2HB ALA 62 4.551 5.497 1.884
454 H LYS 63 H LYS 63 2.272 3.780 5.512
455 HA LYS 63 HA LYS 63 1.796 5.908 7.234
456 1HB LYS 63 1HB LYS 63 1.057 3.492 7.490
457 2HB LYS 63 2HB LYS 63 2.678 3.144 8.079
458 1HG LYS 63 1HG LYS 63 2.271 4.918 9.843
459 2HG LYS 63 2HG LYS 63 0.578 4.882 9.347
460 1HD LYS 63 1HD LYS 63 0.614 2.403 9.776
461 2HD LYS 63 2HD LYS 63 2.212 2.622 10.491
462 1HE LYS 63 1HE LYS 63 0.466 4.556 11.620
463 2HE LYS 63 2HE LYS 63 -0.339 2.988 11.690
464 1HZ LYS 63 1HZ LYS 63 2.197 2.436 12.482
465 2HZ LYS 63 2HZ LYS 63 1.914 3.950 13.181
466 3HZ LYS 63 3HZ LYS 63 0.873 2.658 13.512
467 H SER 64 H SER 64 4.650 4.035 6.572
468 HA SER 64 HA SER 64 6.311 6.033 7.868
469 1HB SER 64 1HB SER 64 6.553 3.083 8.531
470 2HB SER 64 2HB SER 64 7.614 4.365 9.115
471 HG SER 64 HG SER 64 4.822 4.275 9.603
472 H TYR 65 H TYR 65 7.983 6.500 6.598
473 HA TYR 65 HA TYR 65 8.607 4.623 4.414
474 1HB TYR 65 1HB TYR 65 9.637 6.823 3.448
475 2HB TYR 65 2HB TYR 65 7.906 6.522 3.349
476 HD1 TYR 65 HD1 TYR 65 10.004 7.745 6.180
477 HD2 TYR 65 HD2 TYR 65 6.863 8.586 3.436
478 HE1 TYR 65 HE1 TYR 65 9.574 9.874 7.334
479 HE2 TYR 65 HE2 TYR 65 6.424 10.718 4.582
480 HH TYR 65 HH TYR 65 8.564 12.027 6.912
481 H ASN 66 H ASN 66 10.770 4.790 3.517
482 HA ASN 66 HA ASN 66 12.802 5.500 5.516
483 1HB ASN 66 1HB ASN 66 12.173 2.834 4.673
484 2HB ASN 66 2HB ASN 66 13.789 3.257 4.116
485 2HD2 ASN 66 2HD2 ASN 66 15.262 2.531 5.457
486 1HD2 ASN 66 1HD2 ASN 66 15.167 2.536 7.182
487 H ARG 67 H ARG 67 11.689 6.697 3.299
488 HA ARG 67 HA ARG 67 12.473 6.898 0.885
489 1HB ARG 67 1HB ARG 67 13.224 9.336 1.260
490 2HB ARG 67 2HB ARG 67 11.593 8.879 1.736
491 1HG ARG 67 1HG ARG 67 12.099 8.902 3.983
492 2HG ARG 67 2HG ARG 67 13.834 8.769 3.694
493 1HD ARG 67 1HD ARG 67 12.775 11.058 4.414
494 2HD ARG 67 2HD ARG 67 14.063 11.004 3.213
495 HE ARG 67 HE ARG 67 11.357 10.927 2.175
496 1HH1 ARG 67 1HH1 ARG 67 14.142 12.855 2.974
497 2HH1 ARG 67 2HH1 ARG 67 13.695 14.166 1.934
498 1HH2 ARG 67 1HH2 ARG 67 10.759 12.644 0.797
499 2HH2 ARG 67 2HH2 ARG 67 11.771 14.046 0.695
500 H VAL 68 H VAL 68 14.122 6.540 -0.341
501 HA VAL 68 HA VAL 68 16.838 6.943 0.690
502 HB VAL 68 HB VAL 68 17.643 4.930 -0.227
503 1HG1 VAL 68 1HG1 VAL 68 14.921 4.397 0.946
504 2HG1 VAL 68 2HG1 VAL 68 16.130 3.149 0.661
505 3HG1 VAL 68 3HG1 VAL 68 16.460 4.453 1.798
506 1HG2 VAL 68 1HG2 VAL 68 16.193 5.280 -2.362
507 2HG2 VAL 68 2HG2 VAL 68 16.666 3.651 -1.897
508 3HG2 VAL 68 3HG2 VAL 68 15.043 4.239 -1.540
509 H THR 69 H THR 69 15.442 8.815 -0.727
510 HA THR 69 HA THR 69 15.194 9.334 -3.178
511 HB THR 69 HB THR 69 17.459 10.680 -1.711
512 HG1 THR 69 HG1 THR 69 14.700 10.983 -1.779
513 1HG2 THR 69 1HG2 THR 69 17.490 10.965 -4.216
514 2HG2 THR 69 2HG2 THR 69 15.940 11.787 -4.045
515 3HG2 THR 69 3HG2 THR 69 17.378 12.443 -3.261
516 H VAL 70 H VAL 70 15.797 8.485 -5.028
517 HA VAL 70 HA VAL 70 18.611 7.690 -5.347
518 HB VAL 70 HB VAL 70 16.837 6.217 -7.082
519 1HG1 VAL 70 1HG1 VAL 70 19.282 5.882 -5.802
520 2HG1 VAL 70 2HG1 VAL 70 18.228 4.670 -5.073
521 3HG1 VAL 70 3HG1 VAL 70 18.451 4.707 -6.822
522 1HG2 VAL 70 1HG2 VAL 70 16.017 6.476 -4.279
523 2HG2 VAL 70 2HG2 VAL 70 15.115 5.892 -5.677
524 3HG2 VAL 70 3HG2 VAL 70 16.214 4.811 -4.821
525 H MET 71 H MET 71 18.685 6.982 -7.885
526 HA MET 71 HA MET 71 19.307 8.049 -9.824
527 1HB MET 71 1HB MET 71 16.386 8.711 -9.949
528 2HB MET 71 2HB MET 71 17.464 8.300 -11.275
529 1HG MET 71 1HG MET 71 16.691 6.417 -9.082
530 2HG MET 71 2HG MET 71 15.862 6.530 -10.635
531 1HE MET 71 1HE MET 71 17.464 7.005 -12.621
532 2HE MET 71 2HE MET 71 19.141 6.466 -12.712
533 3HE MET 71 3HE MET 71 17.840 5.388 -13.218
534 H GLY 72 H GLY 72 17.071 10.180 -10.585
535 1HA GLY 72 1HA GLY 72 17.285 12.445 -10.937
536 2HA GLY 72 2HA GLY 72 18.759 12.423 -9.983
537 H GLY 73 H GLY 73 17.304 11.037 -7.755
538 1HA GLY 73 1HA GLY 73 16.056 13.466 -6.658
539 2HA GLY 73 2HA GLY 73 16.792 12.184 -5.710
540 H PHE 74 H PHE 74 15.591 9.956 -6.888
541 HA PHE 74 HA PHE 74 12.725 10.350 -6.809
542 1HB PHE 74 1HB PHE 74 14.474 7.944 -7.294
543 2HB PHE 74 2HB PHE 74 12.723 7.820 -7.159
544 HD1 PHE 74 HD1 PHE 74 14.973 10.265 -8.861
545 HD2 PHE 74 HD2 PHE 74 11.814 7.437 -9.226
546 HE1 PHE 74 HE1 PHE 74 14.748 10.830 -11.245
547 HE2 PHE 74 HE2 PHE 74 11.584 7.995 -11.611
548 HZ PHE 74 HZ PHE 74 13.053 9.694 -12.624
549 H LYS 75 H LYS 75 11.650 10.403 -4.963
550 HA LYS 75 HA LYS 75 12.789 9.083 -2.613
551 1HB LYS 75 1HB LYS 75 10.496 11.040 -2.736
552 2HB LYS 75 2HB LYS 75 11.352 10.503 -1.297
553 1HG LYS 75 1HG LYS 75 12.699 12.243 -1.519
554 2HG LYS 75 2HG LYS 75 13.316 11.522 -3.007
555 1HD LYS 75 1HD LYS 75 11.913 12.788 -4.354
556 2HD LYS 75 2HD LYS 75 10.785 13.117 -3.037
557 1HE LYS 75 1HE LYS 75 12.763 14.392 -1.972
558 2HE LYS 75 2HE LYS 75 13.457 14.355 -3.592
559 1HZ LYS 75 1HZ LYS 75 11.455 15.453 -4.418
560 2HZ LYS 75 2HZ LYS 75 10.826 15.517 -2.849
561 3HZ LYS 75 3HZ LYS 75 12.226 16.386 -3.237
562 H VAL 76 H VAL 76 12.172 7.031 -2.484
563 HA VAL 76 HA VAL 76 9.449 6.202 -3.084
564 HB VAL 76 HB VAL 76 10.391 3.839 -2.487
565 1HG1 VAL 76 1HG1 VAL 76 10.429 5.150 -4.836
566 2HG1 VAL 76 2HG1 VAL 76 12.170 5.070 -4.574
567 3HG1 VAL 76 3HG1 VAL 76 11.217 3.591 -4.623
568 1HG2 VAL 76 1HG2 VAL 76 12.376 5.575 -1.429
569 2HG2 VAL 76 2HG2 VAL 76 12.396 3.818 -1.468
570 3HG2 VAL 76 3HG2 VAL 76 13.142 4.740 -2.776
571 H GLU 77 H GLU 77 10.563 7.771 -0.760
572 HA GLU 77 HA GLU 77 10.594 7.623 1.595
573 1HB GLU 77 1HB GLU 77 7.868 6.786 1.859
574 2HB GLU 77 2HB GLU 77 8.523 8.403 2.066
575 1HG GLU 77 1HG GLU 77 8.346 7.999 -0.693
576 2HG GLU 77 2HG GLU 77 6.864 7.337 -0.011
577 H ASN 78 H ASN 78 11.555 5.442 0.371
578 HA ASN 78 HA ASN 78 11.117 3.058 0.212
579 1HB ASN 78 1HB ASN 78 13.372 3.812 1.063
580 2HB ASN 78 2HB ASN 78 12.759 3.528 2.694
581 H HIS 79 H HIS 79 8.881 3.305 0.734
582 HA HIS 79 HA HIS 79 7.583 3.456 2.984
583 1HB HIS 79 1HB HIS 79 7.048 1.445 0.819
584 2HB HIS 79 2HB HIS 79 5.891 1.845 2.094
585 HD1 HIS 79 HD1 HIS 79 4.602 2.624 -0.302
586 HD2 HIS 79 HD2 HIS 79 7.656 4.940 1.261
587 HE1 HIS 79 HE1 HIS 79 4.413 4.879 -1.438
588 H THR 80 H THR 80 7.584 2.710 4.828
589 HA THR 80 HA THR 80 8.576 -0.016 5.345
590 HB THR 80 HB THR 80 9.470 0.721 7.381
591 HG1 THR 80 HG1 THR 80 8.623 3.275 7.512
592 1HG2 THR 80 1HG2 THR 80 9.741 2.901 5.336
593 2HG2 THR 80 2HG2 THR 80 10.626 2.915 6.863
594 3HG2 THR 80 3HG2 THR 80 10.872 1.600 5.710
595 H ALA 81 H ALA 81 5.851 1.928 5.301
596 HA ALA 81 HA ALA 81 4.140 -0.112 6.254
597 1HB ALA 81 1HB ALA 81 4.883 0.706 8.444
598 2HB ALA 81 3HB ALA 81 4.390 2.342 8.002
599 3HB ALA 81 2HB ALA 81 3.179 1.070 8.173
600 H CYS 82 H CYS 82 2.179 0.180 5.262
601 HA CYS 82 HA CYS 82 1.689 2.849 4.112
602 1HB CYS 82 1HB CYS 82 1.610 0.163 2.882
603 2HB CYS 82 2HB CYS 82 0.281 1.235 2.451
604 H HIS 83 H HIS 83 -0.284 3.746 4.346
605 HA HIS 83 HA HIS 83 -2.445 2.132 5.493
606 1HB HIS 83 1HB HIS 83 -2.952 3.883 7.134
607 2HB HIS 83 2HB HIS 83 -1.330 3.245 7.375
608 HD1 HIS 83 HD1 HIS 83 -1.757 5.886 8.605
609 HD2 HIS 83 HD2 HIS 83 -0.669 5.507 4.613
610 HE1 HIS 83 HE1 HIS 83 -0.724 8.092 7.976
611 HE2 HIS 83 HE2 HIS 83 -0.147 7.863 5.535
612 H CYS 84 H CYS 84 -4.369 2.519 4.590
613 HA CYS 84 HA CYS 84 -4.632 4.185 2.335
614 1HB CYS 84 1HB CYS 84 -6.203 2.231 3.691
615 2HB CYS 84 2HB CYS 84 -7.207 3.655 3.437
616 H SER 85 H SER 85 -6.852 5.591 2.380
617 HA SER 85 HA SER 85 -7.927 7.480 3.103
618 1HB SER 85 1HB SER 85 -7.885 6.496 5.386
619 2HB SER 85 2HB SER 85 -6.298 7.221 5.642
620 HG SER 85 HG SER 85 -8.758 8.558 5.197
621 H THR 86 H THR 86 -7.490 9.774 3.343
622 HA THR 86 HA THR 86 -6.341 11.682 2.886
623 HB THR 86 HB THR 86 -4.190 11.960 3.782
624 HG1 THR 86 HG1 THR 86 -2.983 10.445 2.780
625 1HG2 THR 86 1HG2 THR 86 -6.021 10.397 5.279
626 2HG2 THR 86 2HG2 THR 86 -4.386 9.840 5.634
627 3HG2 THR 86 3HG2 THR 86 -4.806 11.538 5.856
628 H CYS 87 H CYS 87 -6.256 12.265 0.832
629 HA CYS 87 HA CYS 87 -4.273 10.990 -0.919
630 1HB CYS 87 1HB CYS 87 -6.904 10.396 -1.168
631 2HB CYS 87 2HB CYS 87 -6.805 11.812 -2.207
632 H TYR 88 H TYR 88 -3.168 12.370 -2.218
633 HA TYR 88 HA TYR 88 -2.251 14.385 -2.808
634 1HB TYR 88 1HB TYR 88 -4.762 14.075 -3.990
635 2HB TYR 88 2HB TYR 88 -4.764 15.729 -3.388
636 HD1 TYR 88 HD1 TYR 88 -3.156 17.367 -4.253
637 HD2 TYR 88 HD2 TYR 88 -3.318 13.408 -5.803
638 HE1 TYR 88 HE1 TYR 88 -1.846 18.084 -6.206
639 HE2 TYR 88 HE2 TYR 88 -2.007 14.115 -7.760
640 HH TYR 88 HH TYR 88 -1.385 16.039 -8.963
641 H TYR 89 H TYR 89 -2.214 14.376 -0.200
642 HA TYR 89 HA TYR 89 -3.260 17.010 0.601
643 1HB TYR 89 1HB TYR 89 -3.875 16.233 2.703
644 2HB TYR 89 2HB TYR 89 -4.311 14.881 1.665
645 HD1 TYR 89 HD1 TYR 89 -2.049 13.291 1.267
646 HD2 TYR 89 HD2 TYR 89 -3.013 15.576 4.725
647 HE1 TYR 89 HE1 TYR 89 -0.656 11.797 2.637
648 HE2 TYR 89 HE2 TYR 89 -1.624 14.088 6.104
649 HH TYR 89 HH TYR 89 -0.279 12.324 6.132
650 H HIS 90 H HIS 90 -1.651 18.396 0.838
651 HA HIS 90 HA HIS 90 0.805 17.491 2.172
652 1HB HIS 90 1HB HIS 90 2.040 19.126 0.644
653 2HB HIS 90 2HB HIS 90 1.501 17.614 -0.080
654 HD1 HIS 90 HD1 HIS 90 -1.096 20.202 0.414
655 HD2 HIS 90 HD2 HIS 90 1.499 18.972 -2.589
656 HE1 HIS 90 HE1 HIS 90 -1.937 21.293 -1.690
657 HE2 HIS 90 HE2 HIS 90 -0.395 20.475 -3.506
658 H LYS 91 H LYS 91 2.189 19.688 2.526
659 HA LYS 91 HA LYS 91 0.802 22.058 3.109
660 1HB LYS 91 1HB LYS 91 0.328 20.023 4.998
661 2HB LYS 91 2HB LYS 91 1.463 21.130 5.757
662 1HG LYS 91 1HG LYS 91 -0.635 22.589 4.439
663 2HG LYS 91 2HG LYS 91 -1.306 21.405 5.562
664 1HD LYS 91 1HD LYS 91 0.175 22.290 7.329
665 2HD LYS 91 2HD LYS 91 0.762 23.510 6.197
666 1HE LYS 91 1HE LYS 91 -1.154 24.729 6.305
667 2HE LYS 91 2HE LYS 91 -2.170 23.310 6.555
668 1HZ LYS 91 1HZ LYS 91 -0.439 23.706 8.766
669 2HZ LYS 91 2HZ LYS 91 -1.333 25.111 8.466
670 3HZ LYS 91 3HZ LYS 91 -2.129 23.643 8.732
671 H SER 92 H SER 92 2.562 23.129 2.359
672 HA SER 92 HA SER 92 5.229 22.507 3.191
673 1HB SER 92 1HB SER 92 4.144 23.857 1.059
674 2HB SER 92 2HB SER 92 4.797 25.172 2.036
675 HG SER 92 HG SER 92 6.518 23.077 1.858
No H/Q in entry = 675
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 -4.324 -13.702 -10.253
2 H2 ALA 1 H2 ALA 1 -3.319 -13.868 -8.873
3 H3 ALA 1 H3 ALA 1 -2.747 -13.025 -10.256
4 HA ALA 1 HA ALA 1 -2.017 -14.828 -11.160
5 1HB ALA 1 1HB ALA 1 -1.123 -15.892 -9.425
6 2HB ALA 1 3HB ALA 1 -2.497 -15.512 -8.389
7 3HB ALA 1 2HB ALA 1 -2.547 -16.930 -9.435
8 HA PRO 2 HA PRO 2 -5.022 -17.028 -13.476
9 1HB PRO 2 1HB PRO 2 -3.412 -19.496 -13.253
10 2HB PRO 2 2HB PRO 2 -3.874 -18.581 -14.690
11 1HG PRO 2 1HG PRO 2 -1.361 -18.548 -13.769
12 2HG PRO 2 2HG PRO 2 -2.107 -17.106 -14.485
13 1HD PRO 2 1HD PRO 2 -1.652 -17.776 -11.602
14 2HD PRO 2 2HD PRO 2 -1.475 -16.219 -12.440
15 H ASP 3 H ASP 3 -6.463 -16.935 -11.547
16 HA ASP 3 HA ASP 3 -8.113 -17.982 -10.365
17 1HB ASP 3 1HB ASP 3 -6.923 -20.676 -10.942
18 2HB ASP 3 2HB ASP 3 -8.613 -20.233 -10.724
19 H VAL 4 H VAL 4 -5.970 -16.985 -9.028
20 HA VAL 4 HA VAL 4 -5.716 -18.882 -6.797
21 HB VAL 4 HB VAL 4 -3.462 -17.133 -7.795
22 1HG1 VAL 4 1HG1 VAL 4 -3.620 -19.129 -5.540
23 2HG1 VAL 4 2HG1 VAL 4 -2.127 -18.397 -6.128
24 3HG1 VAL 4 3HG1 VAL 4 -3.379 -17.387 -5.406
25 1HG2 VAL 4 1HG2 VAL 4 -4.239 -19.381 -9.018
26 2HG2 VAL 4 2HG2 VAL 4 -2.547 -18.904 -8.879
27 3HG2 VAL 4 3HG2 VAL 4 -3.226 -20.083 -7.757
28 H GLN 5 H GLN 5 -7.610 -17.401 -6.254
29 HA GLN 5 HA GLN 5 -8.459 -15.842 -4.830
30 1HB GLN 5 1HB GLN 5 -5.701 -16.159 -3.980
31 2HB GLN 5 2HB GLN 5 -6.280 -14.523 -3.695
32 1HG GLN 5 1HG GLN 5 -7.022 -15.381 -1.769
33 2HG GLN 5 2HG GLN 5 -8.366 -15.951 -2.756
34 2HE2 GLN 5 2HE2 GLN 5 -5.063 -16.950 -1.923
35 1HE2 GLN 5 1HE2 GLN 5 -5.449 -18.614 -1.666
36 H ASP 6 H ASP 6 -9.252 -13.864 -5.253
37 HA ASP 6 HA ASP 6 -8.579 -12.427 -7.504
38 1HB ASP 6 1HB ASP 6 -10.182 -11.893 -5.079
39 2HB ASP 6 2HB ASP 6 -9.669 -10.469 -5.979
40 H CYS 7 H CYS 7 -8.179 -9.818 -7.039
41 HA CYS 7 HA CYS 7 -5.542 -9.367 -7.019
42 1HB CYS 7 1HB CYS 7 -7.756 -7.745 -6.888
43 2HB CYS 7 2HB CYS 7 -6.906 -7.336 -5.402
44 HA PRO 8 HA PRO 8 -3.991 -10.744 -3.087
45 1HB PRO 8 1HB PRO 8 -1.704 -8.988 -3.775
46 2HB PRO 8 2HB PRO 8 -1.725 -10.715 -3.400
47 1HG PRO 8 1HG PRO 8 -1.346 -9.848 -5.901
48 2HG PRO 8 2HG PRO 8 -2.283 -11.315 -5.564
49 1HD PRO 8 1HD PRO 8 -3.242 -8.574 -6.276
50 2HD PRO 8 2HD PRO 8 -3.865 -10.155 -6.790
51 H GLU 9 H GLU 9 -2.270 -9.239 -1.529
52 HA GLU 9 HA GLU 9 -4.049 -7.070 -0.655
53 1HB GLU 9 1HB GLU 9 -3.388 -9.082 0.851
54 2HB GLU 9 2HB GLU 9 -1.851 -8.245 1.020
55 1HG GLU 9 1HG GLU 9 -3.273 -6.217 1.704
56 2HG GLU 9 2HG GLU 9 -4.567 -7.392 1.937
57 H CYS 10 H CYS 10 -3.353 -5.009 -0.501
58 HA CYS 10 HA CYS 10 -1.331 -3.959 -1.962
59 1HB CYS 10 1HB CYS 10 -3.166 -2.824 -0.459
60 2HB CYS 10 2HB CYS 10 -1.864 -2.736 0.722
61 H THR 11 H THR 11 0.847 -3.850 -1.878
62 HA THR 11 HA THR 11 2.254 -4.133 0.624
63 HB THR 11 HB THR 11 2.038 -6.451 0.230
64 HG1 THR 11 HG1 THR 11 4.106 -7.006 0.136
65 1HG2 THR 11 1HG2 THR 11 1.487 -5.993 -2.315
66 2HG2 THR 11 2HG2 THR 11 3.185 -6.430 -2.494
67 3HG2 THR 11 3HG2 THR 11 2.060 -7.560 -1.743
68 H LEU 12 H LEU 12 4.773 -4.731 -0.437
69 HA LEU 12 HA LEU 12 5.275 -2.239 -1.879
70 1HB LEU 12 1HB LEU 12 6.970 -4.048 -0.215
71 2HB LEU 12 2HB LEU 12 7.700 -2.872 -1.291
72 HG LEU 12 HG LEU 12 6.709 -1.043 -0.084
73 1HD1 LEU 12 1HD1 LEU 12 4.577 -2.351 0.373
74 2HD1 LEU 12 2HD1 LEU 12 5.412 -2.988 1.789
75 3HD1 LEU 12 3HD1 LEU 12 5.145 -1.254 1.629
76 1HD2 LEU 12 1HD2 LEU 12 8.171 -3.156 1.395
77 2HD2 LEU 12 2HD2 LEU 12 8.644 -1.503 1.012
78 3HD2 LEU 12 3HD2 LEU 12 7.506 -1.814 2.325
79 H GLN 13 H GLN 13 6.224 -2.111 -3.825
80 HA GLN 13 HA GLN 13 6.808 -4.664 -5.118
81 1HB GLN 13 1HB GLN 13 5.387 -2.279 -6.061
82 2HB GLN 13 2HB GLN 13 6.437 -3.084 -7.222
83 1HG GLN 13 1HG GLN 13 5.236 -5.226 -6.615
84 2HG GLN 13 2HG GLN 13 4.060 -4.213 -5.779
85 2HE2 GLN 13 2HE2 GLN 13 2.473 -5.027 -7.200
86 1HE2 GLN 13 1HE2 GLN 13 2.324 -4.416 -8.809
87 H GLU 14 H GLU 14 8.690 -3.795 -3.745
88 HA GLU 14 HA GLU 14 10.645 -2.400 -3.707
89 1HB GLU 14 1HB GLU 14 11.025 -4.867 -3.774
90 2HB GLU 14 2HB GLU 14 11.268 -4.723 -5.510
91 1HG GLU 14 1HG GLU 14 13.015 -2.887 -4.732
92 2HG GLU 14 2HG GLU 14 13.010 -3.869 -3.269
93 H ASN 15 H ASN 15 11.555 -0.812 -4.582
94 HA ASN 15 HA ASN 15 10.890 0.332 -6.985
95 1HB ASN 15 1HB ASN 15 12.429 0.992 -4.815
96 2HB ASN 15 2HB ASN 15 13.577 0.997 -6.145
97 2HD2 ASN 15 2HD2 ASN 15 13.377 3.284 -5.143
98 1HD2 ASN 15 1HD2 ASN 15 12.328 4.354 -5.995
99 HA PRO 16 HA PRO 16 13.335 -2.443 -9.579
100 1HB PRO 16 1HB PRO 16 12.177 -1.741 -11.922
101 2HB PRO 16 2HB PRO 16 11.415 -2.857 -10.783
102 1HG PRO 16 1HG PRO 16 10.872 0.043 -11.248
103 2HG PRO 16 2HG PRO 16 9.731 -1.275 -10.927
104 1HD PRO 16 1HD PRO 16 10.576 0.522 -9.034
105 2HD PRO 16 2HD PRO 16 10.005 -1.116 -8.662
106 H PHE 17 H PHE 17 13.858 0.492 -8.792
107 HA PHE 17 HA PHE 17 15.686 1.092 -11.015
108 1HB PHE 17 1HB PHE 17 13.791 2.671 -11.004
109 2HB PHE 17 2HB PHE 17 14.149 3.078 -9.328
110 HD1 PHE 17 HD1 PHE 17 16.304 4.208 -8.779
111 HD2 PHE 17 HD2 PHE 17 14.943 3.678 -12.773
112 HE1 PHE 17 HE1 PHE 17 17.865 5.954 -9.538
113 HE2 PHE 17 HE2 PHE 17 16.502 5.420 -13.544
114 HZ PHE 17 HZ PHE 17 17.965 6.562 -11.924
115 H PHE 18 H PHE 18 14.941 1.923 -7.651
116 HA PHE 18 HA PHE 18 17.620 2.636 -7.013
117 1HB PHE 18 1HB PHE 18 15.212 3.115 -5.849
118 2HB PHE 18 2HB PHE 18 15.838 1.845 -4.804
119 HD1 PHE 18 HD1 PHE 18 18.647 2.354 -4.678
120 HD2 PHE 18 HD2 PHE 18 15.419 5.120 -4.728
121 HE1 PHE 18 HE1 PHE 18 20.056 4.000 -3.510
122 HE2 PHE 18 HE2 PHE 18 16.825 6.776 -3.561
123 HZ PHE 18 HZ PHE 18 19.141 6.217 -2.950
124 H SER 19 H SER 19 15.837 -0.316 -7.056
125 HA SER 19 HA SER 19 16.957 -1.928 -5.205
126 1HB SER 19 1HB SER 19 16.207 -2.415 -8.058
127 2HB SER 19 2HB SER 19 17.033 -3.695 -7.171
128 HG SER 19 HG SER 19 14.630 -2.405 -6.388
129 H GLN 20 H GLN 20 19.028 -1.353 -4.599
130 HA GLN 20 HA GLN 20 21.146 -2.031 -6.533
131 1HB GLN 20 1HB GLN 20 21.975 0.029 -6.288
132 2HB GLN 20 2HB GLN 20 20.664 0.435 -5.193
133 1HG GLN 20 1HG GLN 20 22.520 0.908 -3.930
134 2HG GLN 20 2HG GLN 20 22.128 -0.727 -3.402
135 2HE2 GLN 20 2HE2 GLN 20 24.330 1.265 -5.191
136 1HE2 GLN 20 1HE2 GLN 20 25.582 0.088 -5.365
137 HA PRO 21 HA PRO 21 22.570 -5.294 -3.921
138 1HB PRO 21 1HB PRO 21 25.156 -3.808 -4.223
139 2HB PRO 21 2HB PRO 21 24.839 -5.542 -4.356
140 1HG PRO 21 1HG PRO 21 25.114 -3.982 -6.528
141 2HG PRO 21 2HG PRO 21 24.007 -5.364 -6.495
142 1HD PRO 21 1HD PRO 21 23.400 -2.485 -6.528
143 2HD PRO 21 2HD PRO 21 22.359 -3.860 -6.939
144 H GLY 22 H GLY 22 21.358 -4.321 -2.115
145 1HA GLY 22 1HA GLY 22 23.104 -2.820 -0.266
146 2HA GLY 22 2HA GLY 22 22.153 -4.194 0.280
147 H ALA 23 H ALA 23 20.512 -2.430 -2.068
148 HA ALA 23 HA ALA 23 18.643 -1.446 -0.106
149 1HB ALA 23 3HB ALA 23 19.804 0.522 0.032
150 2HB ALA 23 2HB ALA 23 20.486 0.357 -1.585
151 3HB ALA 23 1HB ALA 23 18.815 0.883 -1.384
152 HA PRO 24 HA PRO 24 16.288 -2.450 -3.742
153 1HB PRO 24 1HB PRO 24 14.806 -4.288 -2.455
154 2HB PRO 24 2HB PRO 24 16.471 -4.618 -2.940
155 1HG PRO 24 1HG PRO 24 15.377 -4.262 -0.254
156 2HG PRO 24 2HG PRO 24 16.954 -4.902 -0.743
157 1HD PRO 24 1HD PRO 24 16.223 -2.194 0.098
158 2HD PRO 24 2HD PRO 24 17.825 -2.954 -0.006
159 H ILE 25 H ILE 25 15.665 -0.081 -3.038
160 HA ILE 25 HA ILE 25 13.694 0.724 -1.474
161 HB ILE 25 HB ILE 25 14.179 1.431 -4.352
162 1HG1 ILE 25 1HG1 ILE 25 16.070 1.748 -2.924
163 2HG1 ILE 25 2HG1 ILE 25 15.334 3.333 -3.164
164 1HG2 ILE 25 1HG2 ILE 25 12.408 2.633 -2.241
165 2HG2 ILE 25 2HG2 ILE 25 13.124 3.647 -3.489
166 3HG2 ILE 25 3HG2 ILE 25 12.035 2.337 -3.938
167 1HD1 ILE 25 1HD1 ILE 25 14.003 2.713 -1.016
168 2HD1 ILE 25 2HD1 ILE 25 15.344 1.599 -0.756
169 3HD1 ILE 25 3HD1 ILE 25 15.653 3.327 -0.902
170 H LEU 26 H LEU 26 11.439 1.557 -2.459
171 HA LEU 26 HA LEU 26 9.997 -0.649 -3.691
172 1HB LEU 26 1HB LEU 26 8.738 0.294 -1.289
173 2HB LEU 26 2HB LEU 26 9.099 -1.355 -1.792
174 HG LEU 26 HG LEU 26 11.434 0.176 -1.026
175 1HD1 LEU 26 1HD1 LEU 26 9.145 0.410 0.638
176 2HD1 LEU 26 2HD1 LEU 26 10.350 -0.579 1.462
177 3HD1 LEU 26 3HD1 LEU 26 10.777 1.030 0.888
178 1HD2 LEU 26 1HD2 LEU 26 10.301 -2.517 -0.290
179 2HD2 LEU 26 2HD2 LEU 26 11.640 -2.167 -1.382
180 3HD2 LEU 26 3HD2 LEU 26 11.823 -1.899 0.351
181 H GLN 27 H GLN 27 7.581 -0.039 -2.809
182 HA GLN 27 HA GLN 27 6.644 2.528 -2.838
183 1HB GLN 27 1HB GLN 27 7.624 3.094 -4.882
184 2HB GLN 27 2HB GLN 27 7.259 1.531 -5.601
185 1HG GLN 27 1HG GLN 27 5.212 2.171 -6.272
186 2HG GLN 27 2HG GLN 27 4.910 3.110 -4.812
187 2HE2 GLN 27 2HE2 GLN 27 7.765 3.576 -6.735
188 1HE2 GLN 27 1HE2 GLN 27 7.330 5.124 -7.371
189 H CYS 28 H CYS 28 5.537 0.777 -1.494
190 HA CYS 28 HA CYS 28 3.950 -1.128 -1.686
191 1HB CYS 28 1HB CYS 28 2.784 1.589 -1.099
192 2HB CYS 28 2HB CYS 28 1.859 0.106 -0.911
193 H MET 29 H MET 29 3.091 -2.196 -3.370
194 HA MET 29 HA MET 29 1.229 -0.749 -5.106
195 1HB MET 29 1HB MET 29 3.654 -0.982 -6.055
196 2HB MET 29 2HB MET 29 3.174 -2.645 -6.355
197 1HG MET 29 1HG MET 29 2.495 -1.838 -8.326
198 2HG MET 29 2HG MET 29 1.070 -1.338 -7.416
199 1HE MET 29 1HE MET 29 4.128 -0.716 -9.140
200 2HE MET 29 2HE MET 29 3.459 0.596 -10.111
201 3HE MET 29 3HE MET 29 4.635 0.947 -8.844
202 H GLY 30 H GLY 30 -0.616 -1.791 -4.757
203 1HA GLY 30 1HA GLY 30 -1.076 -4.275 -3.751
204 2HA GLY 30 2HA GLY 30 -0.837 -4.571 -5.466
205 H CYS 31 H CYS 31 -3.185 -4.419 -3.352
206 HA CYS 31 HA CYS 31 -4.996 -2.692 -4.857
207 1HB CYS 31 1HB CYS 31 -6.141 -5.337 -4.263
208 2HB CYS 31 2HB CYS 31 -6.320 -4.328 -5.693
209 H CYS 32 H CYS 32 -5.982 -1.464 -3.403
210 HA CYS 32 HA CYS 32 -5.954 -1.807 -0.660
211 1HB CYS 32 1HB CYS 32 -8.099 -0.373 -2.238
212 2HB CYS 32 2HB CYS 32 -7.678 -0.097 -0.552
213 H PHE 33 H PHE 33 -8.450 -1.591 0.376
214 HA PHE 33 HA PHE 33 -9.759 -4.129 -0.346
215 1HB PHE 33 1HB PHE 33 -9.908 -3.184 2.472
216 2HB PHE 33 2HB PHE 33 -9.875 -4.825 1.836
217 HD1 PHE 33 HD1 PHE 33 -7.612 -5.586 0.793
218 HD2 PHE 33 HD2 PHE 33 -8.030 -2.327 3.498
219 HE1 PHE 33 HE1 PHE 33 -5.227 -5.764 1.372
220 HE2 PHE 33 HE2 PHE 33 -5.647 -2.501 4.082
221 HZ PHE 33 HZ PHE 33 -4.242 -4.221 3.018
222 H SER 34 H SER 34 -12.047 -4.248 0.387
223 HA SER 34 HA SER 34 -14.149 -3.377 0.726
224 1HB SER 34 1HB SER 34 -12.779 -1.515 2.007
225 2HB SER 34 2HB SER 34 -13.173 -0.551 0.584
226 HG SER 34 HG SER 34 -15.207 -0.493 1.174
227 H ARG 35 H ARG 35 -13.501 -4.201 -1.687
228 HA ARG 35 HA ARG 35 -13.444 -2.448 -3.825
229 1HB ARG 35 1HB ARG 35 -14.556 -5.223 -3.516
230 2HB ARG 35 2HB ARG 35 -14.692 -4.366 -5.045
231 1HG ARG 35 1HG ARG 35 -12.681 -5.979 -4.554
232 2HG ARG 35 2HG ARG 35 -12.460 -4.492 -5.480
233 1HD ARG 35 1HD ARG 35 -11.655 -3.343 -3.511
234 2HD ARG 35 2HD ARG 35 -11.984 -4.761 -2.515
235 HE ARG 35 HE ARG 35 -9.755 -4.377 -4.328
236 1HH1 ARG 35 1HH1 ARG 35 -11.612 -6.585 -2.383
237 2HH1 ARG 35 2HH1 ARG 35 -10.354 -7.774 -2.298
238 1HH2 ARG 35 1HH2 ARG 35 -8.089 -5.928 -4.218
239 2HH2 ARG 35 2HH2 ARG 35 -8.350 -7.399 -3.342
240 H ALA 36 H ALA 36 -14.839 -1.056 -4.672
241 HA ALA 36 HA ALA 36 -17.694 -1.335 -3.995
242 1HB ALA 36 2HB ALA 36 -17.119 0.499 -2.716
243 2HB ALA 36 3HB ALA 36 -15.928 1.072 -3.883
244 3HB ALA 36 1HB ALA 36 -17.650 1.260 -4.216
245 H TYR 37 H TYR 37 -19.033 0.165 -5.530
246 HA TYR 37 HA TYR 37 -17.999 -0.196 -8.266
247 1HB TYR 37 1HB TYR 37 -20.901 -0.117 -8.075
248 2HB TYR 37 2HB TYR 37 -19.861 -1.290 -8.876
249 HD1 TYR 37 HD1 TYR 37 -18.521 -2.835 -7.096
250 HD2 TYR 37 HD2 TYR 37 -22.267 -0.935 -6.418
251 HE1 TYR 37 HE1 TYR 37 -19.033 -4.484 -5.346
252 HE2 TYR 37 HE2 TYR 37 -22.790 -2.580 -4.666
253 HH TYR 37 HH TYR 37 -21.284 -4.108 -3.068
254 HA PRO 38 HA PRO 38 -18.619 4.063 -9.136
255 1HB PRO 38 1HB PRO 38 -19.966 3.283 -11.653
256 2HB PRO 38 2HB PRO 38 -18.505 4.246 -11.411
257 1HG PRO 38 1HG PRO 38 -18.363 1.751 -12.347
258 2HG PRO 38 2HG PRO 38 -17.147 2.377 -11.218
259 1HD PRO 38 1HD PRO 38 -19.467 0.559 -10.687
260 2HD PRO 38 2HD PRO 38 -17.809 0.486 -10.050
261 H THR 39 H THR 39 -20.410 5.551 -10.233
262 HA THR 39 HA THR 39 -22.561 5.695 -8.520
263 HB THR 39 HB THR 39 -23.616 6.958 -10.628
264 HG1 THR 39 HG1 THR 39 -21.714 6.011 -11.858
265 1HG2 THR 39 1HG2 THR 39 -22.371 7.813 -8.428
266 2HG2 THR 39 2HG2 THR 39 -21.206 8.333 -9.645
267 3HG2 THR 39 3HG2 THR 39 -22.879 8.883 -9.734
268 HA PRO 40 HA PRO 40 -24.791 2.060 -10.028
269 1HB PRO 40 1HB PRO 40 -26.541 2.763 -7.756
270 2HB PRO 40 2HB PRO 40 -25.702 1.248 -8.097
271 1HG PRO 40 1HG PRO 40 -24.896 2.869 -6.125
272 2HG PRO 40 2HG PRO 40 -23.733 1.963 -7.112
273 1HD PRO 40 1HD PRO 40 -24.525 4.848 -7.286
274 2HD PRO 40 2HD PRO 40 -22.912 4.115 -7.419
275 H LEU 41 H LEU 41 -25.245 3.879 -11.731
276 HA LEU 41 HA LEU 41 -27.145 5.664 -11.960
277 1HB LEU 41 1HB LEU 41 -27.686 3.617 -13.978
278 2HB LEU 41 2HB LEU 41 -27.177 5.282 -14.171
279 HG LEU 41 HG LEU 41 -24.937 3.878 -13.175
280 1HD1 LEU 41 1HD1 LEU 41 -26.661 2.161 -14.685
281 2HD1 LEU 41 2HD1 LEU 41 -25.162 2.446 -15.569
282 3HD1 LEU 41 3HD1 LEU 41 -25.109 1.804 -13.929
283 1HD2 LEU 41 1HD2 LEU 41 -25.642 5.648 -15.255
284 2HD2 LEU 41 2HD2 LEU 41 -24.030 5.220 -14.684
285 3HD2 LEU 41 3HD2 LEU 41 -24.777 4.295 -15.988
286 H ARG 42 H ARG 42 -29.168 5.969 -11.374
287 HA ARG 42 HA ARG 42 -31.417 4.635 -11.855
288 1HB ARG 42 1HB ARG 42 -29.843 3.120 -9.886
289 2HB ARG 42 2HB ARG 42 -31.510 3.408 -9.408
290 1HG ARG 42 1HG ARG 42 -30.965 2.386 -12.149
291 2HG ARG 42 2HG ARG 42 -30.843 1.279 -10.781
292 1HD ARG 42 1HD ARG 42 -33.091 1.500 -10.240
293 2HD ARG 42 2HD ARG 42 -33.248 3.030 -11.099
294 HE ARG 42 HE ARG 42 -33.645 0.427 -12.172
295 1HH1 ARG 42 1HH1 ARG 42 -32.467 3.606 -12.974
296 2HH1 ARG 42 2HH1 ARG 42 -32.832 3.457 -14.660
297 1HH2 ARG 42 1HH2 ARG 42 -34.127 0.221 -14.394
298 2HH2 ARG 42 2HH2 ARG 42 -33.775 1.536 -15.467
299 H SER 43 H SER 43 -29.547 6.163 -9.340
300 HA SER 43 HA SER 43 -30.016 7.802 -7.839
301 1HB SER 43 1HB SER 43 -32.425 8.928 -8.772
302 2HB SER 43 2HB SER 43 -30.784 9.503 -9.069
303 HG SER 43 HG SER 43 -31.640 9.146 -11.054
304 H LYS 44 H LYS 44 -33.393 7.188 -8.714
305 HA LYS 44 HA LYS 44 -35.191 6.528 -7.483
306 1HB LYS 44 1HB LYS 44 -33.225 4.606 -7.092
307 2HB LYS 44 2HB LYS 44 -33.765 4.987 -5.464
308 1HG LYS 44 1HG LYS 44 -35.096 3.191 -6.174
309 2HG LYS 44 2HG LYS 44 -36.123 4.620 -6.306
310 1HD LYS 44 1HD LYS 44 -34.933 4.516 -8.771
311 2HD LYS 44 2HD LYS 44 -35.145 2.808 -8.380
312 1HE LYS 44 1HE LYS 44 -37.088 3.614 -9.565
313 2HE LYS 44 2HE LYS 44 -37.524 3.249 -7.895
314 1HZ LYS 44 1HZ LYS 44 -36.766 5.988 -8.685
315 2HZ LYS 44 2HZ LYS 44 -38.343 5.429 -8.930
316 3HZ LYS 44 3HZ LYS 44 -37.697 5.482 -7.366
317 H LYS 45 H LYS 45 -36.367 7.453 -5.894
318 HA LYS 45 HA LYS 45 -34.880 8.924 -3.823
319 1HB LYS 45 1HB LYS 45 -36.703 10.510 -3.769
320 2HB LYS 45 2HB LYS 45 -36.148 10.322 -5.427
321 1HG LYS 45 1HG LYS 45 -38.141 9.615 -6.117
322 2HG LYS 45 2HG LYS 45 -38.291 8.481 -4.773
323 1HD LYS 45 1HD LYS 45 -38.668 11.416 -4.321
324 2HD LYS 45 2HD LYS 45 -39.980 10.443 -4.988
325 1HE LYS 45 1HE LYS 45 -39.370 8.869 -2.958
326 2HE LYS 45 2HE LYS 45 -38.740 10.372 -2.284
327 1HZ LYS 45 1HZ LYS 45 -41.501 10.032 -3.320
328 2HZ LYS 45 2HZ LYS 45 -41.075 9.924 -1.687
329 3HZ LYS 45 3HZ LYS 45 -40.880 11.386 -2.517
330 H THR 46 H THR 46 -35.440 8.768 -1.713
331 HA THR 46 HA THR 46 -35.999 7.387 0.079
332 HB THR 46 HB THR 46 -38.276 9.008 -0.906
333 HG1 THR 46 HG1 THR 46 -37.525 10.210 0.620
334 1HG2 THR 46 1HG2 THR 46 -38.603 6.909 1.214
335 2HG2 THR 46 2HG2 THR 46 -39.609 8.354 1.124
336 3HG2 THR 46 3HG2 THR 46 -39.606 7.196 -0.208
337 H MET 47 H MET 47 -35.838 5.241 -0.029
338 HA MET 47 HA MET 47 -37.788 3.454 0.068
339 1HB MET 47 1HB MET 47 -38.069 2.520 -2.234
340 2HB MET 47 2HB MET 47 -38.780 4.110 -2.014
341 1HG MET 47 1HG MET 47 -36.812 5.114 -3.092
342 2HG MET 47 2HG MET 47 -36.157 3.497 -3.355
343 1HE MET 47 1HE MET 47 -37.104 1.771 -4.460
344 2HE MET 47 2HE MET 47 -38.687 1.718 -5.235
345 3HE MET 47 3HE MET 47 -37.259 2.150 -6.175
346 H LEU 48 H LEU 48 -37.154 1.198 -0.376
347 HA LEU 48 HA LEU 48 -35.628 -0.503 -0.689
348 1HB LEU 48 1HB LEU 48 -34.427 1.528 -2.107
349 2HB LEU 48 2HB LEU 48 -33.218 1.141 -0.897
350 HG LEU 48 HG LEU 48 -33.901 -1.348 -1.794
351 1HD1 LEU 48 1HD1 LEU 48 -34.983 0.396 -3.688
352 2HD1 LEU 48 2HD1 LEU 48 -33.494 -0.217 -4.406
353 3HD1 LEU 48 3HD1 LEU 48 -34.734 -1.342 -3.850
354 1HD2 LEU 48 1HD2 LEU 48 -31.651 -0.058 -1.489
355 2HD2 LEU 48 2HD2 LEU 48 -31.740 -1.438 -2.583
356 3HD2 LEU 48 3HD2 LEU 48 -31.792 0.203 -3.228
357 H VAL 49 H VAL 49 -33.227 -0.974 0.341
358 HA VAL 49 HA VAL 49 -33.310 0.059 3.099
359 HB VAL 49 HB VAL 49 -32.302 -2.686 2.815
360 1HG1 VAL 49 1HG1 VAL 49 -34.227 -1.295 4.668
361 2HG1 VAL 49 2HG1 VAL 49 -33.759 -2.988 4.820
362 3HG1 VAL 49 3HG1 VAL 49 -32.545 -1.720 4.986
363 1HG2 VAL 49 1HG2 VAL 49 -34.197 -2.648 1.182
364 2HG2 VAL 49 2HG2 VAL 49 -34.414 -3.767 2.528
365 3HG2 VAL 49 3HG2 VAL 49 -35.266 -2.222 2.519
366 H GLN 50 H GLN 50 -31.078 -1.645 3.877
367 HA GLN 50 HA GLN 50 -28.796 -1.748 3.833
368 1HB GLN 50 1HB GLN 50 -29.365 -1.690 1.191
369 2HB GLN 50 2HB GLN 50 -28.470 -0.184 1.342
370 1HG GLN 50 1HG GLN 50 -26.692 -1.500 0.986
371 2HG GLN 50 2HG GLN 50 -26.848 -1.844 2.708
372 2HE2 GLN 50 2HE2 GLN 50 -27.547 -3.833 3.372
373 1HE2 GLN 50 1HE2 GLN 50 -27.747 -5.173 2.300
374 H LYS 51 H LYS 51 -26.877 -0.281 3.961
375 HA LYS 51 HA LYS 51 -27.610 2.096 5.369
376 1HB LYS 51 1HB LYS 51 -25.385 2.239 6.018
377 2HB LYS 51 2HB LYS 51 -25.594 0.511 5.773
378 1HG LYS 51 1HG LYS 51 -24.625 2.118 3.473
379 2HG LYS 51 2HG LYS 51 -23.515 1.834 4.815
380 1HD LYS 51 1HD LYS 51 -23.381 -0.402 4.410
381 2HD LYS 51 2HD LYS 51 -25.030 -0.499 3.792
382 1HE LYS 51 1HE LYS 51 -24.387 -0.127 1.671
383 2HE LYS 51 2HE LYS 51 -23.216 1.105 2.143
384 1HZ LYS 51 1HZ LYS 51 -22.430 -1.529 2.947
385 2HZ LYS 51 2HZ LYS 51 -22.633 -1.408 1.272
386 3HZ LYS 51 3HZ LYS 51 -21.566 -0.367 2.073
387 H ASN 52 H ASN 52 -26.292 4.179 4.869
388 HA ASN 52 HA ASN 52 -26.706 4.777 2.022
389 1HB ASN 52 1HB ASN 52 -26.787 7.168 2.787
390 2HB ASN 52 2HB ASN 52 -28.082 6.154 3.419
391 2HD2 ASN 52 2HD2 ASN 52 -28.541 7.087 5.308
392 1HD2 ASN 52 1HD2 ASN 52 -27.407 7.353 6.585
393 H VAL 53 H VAL 53 -25.155 5.836 0.817
394 HA VAL 53 HA VAL 53 -23.056 6.347 0.108
395 HB VAL 53 HB VAL 53 -22.434 7.101 2.959
396 1HG1 VAL 53 1HG1 VAL 53 -20.630 7.074 1.184
397 2HG1 VAL 53 2HG1 VAL 53 -21.507 8.391 0.404
398 3HG1 VAL 53 3HG1 VAL 53 -20.861 8.603 2.031
399 1HG2 VAL 53 1HG2 VAL 53 -24.628 8.016 1.610
400 2HG2 VAL 53 2HG2 VAL 53 -23.783 8.891 2.888
401 3HG2 VAL 53 3HG2 VAL 53 -23.411 9.222 1.196
402 H THR 54 H THR 54 -20.957 5.537 -0.047
403 HA THR 54 HA THR 54 -19.628 3.932 1.791
404 HB THR 54 HB THR 54 -21.515 2.463 -0.027
405 HG1 THR 54 HG1 THR 54 -20.870 1.511 2.473
406 1HG2 THR 54 1HG2 THR 54 -18.968 1.693 -0.125
407 2HG2 THR 54 2HG2 THR 54 -19.449 0.878 1.362
408 3HG2 THR 54 3HG2 THR 54 -20.315 0.557 -0.140
409 H SER 55 H SER 55 -17.591 3.605 1.109
410 HA SER 55 HA SER 55 -16.090 2.915 -0.702
411 1HB SER 55 1HB SER 55 -17.693 3.238 -2.514
412 2HB SER 55 2HB SER 55 -17.664 4.984 -2.255
413 HG SER 55 HG SER 55 -16.254 3.975 -3.972
414 H GLU 56 H GLU 56 -14.693 3.744 0.881
415 HA GLU 56 HA GLU 56 -14.300 6.511 1.340
416 1HB GLU 56 1HB GLU 56 -12.120 5.730 2.368
417 2HB GLU 56 2HB GLU 56 -13.581 5.015 3.036
418 1HG GLU 56 1HG GLU 56 -12.921 2.968 2.508
419 2HG GLU 56 2HG GLU 56 -12.554 3.442 0.849
420 H SER 57 H SER 57 -11.923 7.386 1.051
421 HA SER 57 HA SER 57 -11.521 7.622 -1.771
422 1HB SER 57 1HB SER 57 -9.994 9.330 -1.267
423 2HB SER 57 2HB SER 57 -11.134 9.407 0.077
424 HG SER 57 HG SER 57 -9.498 7.837 1.056
425 H THR 58 H THR 58 -10.118 5.738 0.785
426 HA THR 58 HA THR 58 -8.498 4.141 0.831
427 HB THR 58 HB THR 58 -8.055 3.237 -1.685
428 HG1 THR 58 HG1 THR 58 -10.728 3.794 -1.981
429 1HG2 THR 58 1HG2 THR 58 -9.175 2.126 0.378
430 2HG2 THR 58 2HG2 THR 58 -10.673 2.532 -0.458
431 3HG2 THR 58 3HG2 THR 58 -9.478 1.498 -1.243
432 H CYS 59 H CYS 59 -6.269 3.835 0.550
433 HA CYS 59 HA CYS 59 -4.641 5.021 -1.332
434 1HB CYS 59 1HB CYS 59 -3.720 6.968 -0.148
435 2HB CYS 59 2HB CYS 59 -5.430 7.174 -0.505
436 H CYS 60 H CYS 60 -2.876 3.840 -1.244
437 HA CYS 60 HA CYS 60 -2.083 2.628 1.299
438 1HB CYS 60 1HB CYS 60 -2.181 1.693 -1.367
439 2HB CYS 60 2HB CYS 60 -0.477 1.781 -0.937
440 H VAL 61 H VAL 61 -1.466 5.139 1.569
441 HA VAL 61 HA VAL 61 1.062 5.872 0.435
442 HB VAL 61 HB VAL 61 -0.332 7.134 2.796
443 1HG1 VAL 61 1HG1 VAL 61 2.094 7.744 1.268
444 2HG1 VAL 61 2HG1 VAL 61 1.001 9.112 1.490
445 3HG1 VAL 61 3HG1 VAL 61 1.619 8.239 2.893
446 1HG2 VAL 61 1HG2 VAL 61 -1.814 7.064 0.850
447 2HG2 VAL 61 2HG2 VAL 61 -1.291 8.712 1.199
448 3HG2 VAL 61 3HG2 VAL 61 -0.560 7.817 -0.134
449 H ALA 62 H ALA 62 1.509 3.479 1.472
450 HA ALA 62 HA ALA 62 2.660 2.227 3.011
451 1HB ALA 62 1HB ALA 62 4.433 4.656 2.993
452 2HB ALA 62 2HB ALA 62 4.906 2.982 3.288
453 3HB ALA 62 3HB ALA 62 4.350 3.474 1.689
454 H LYS 63 H LYS 63 2.019 1.755 4.995
455 HA LYS 63 HA LYS 63 1.117 3.537 6.945
456 1HB LYS 63 1HB LYS 63 0.814 1.001 6.841
457 2HB LYS 63 2HB LYS 63 2.432 0.878 7.518
458 1HG LYS 63 1HG LYS 63 1.633 2.268 9.444
459 2HG LYS 63 2HG LYS 63 0.001 2.102 8.795
460 1HD LYS 63 1HD LYS 63 1.020 -0.488 8.827
461 2HD LYS 63 2HD LYS 63 1.570 0.231 10.343
462 1HE LYS 63 1HE LYS 63 -1.242 -0.101 9.339
463 2HE LYS 63 2HE LYS 63 -0.527 -0.731 10.821
464 1HZ LYS 63 1HZ LYS 63 -0.212 1.962 11.043
465 2HZ LYS 63 2HZ LYS 63 -1.736 1.818 10.321
466 3HZ LYS 63 3HZ LYS 63 -1.419 1.045 11.792
467 H SER 64 H SER 64 4.256 2.209 6.227
468 HA SER 64 HA SER 64 5.533 4.264 7.855
469 1HB SER 64 1HB SER 64 6.154 1.307 8.104
470 2HB SER 64 2HB SER 64 7.119 2.599 8.816
471 HG SER 64 HG SER 64 5.803 2.270 10.438
472 H TYR 65 H TYR 65 6.878 5.284 6.518
473 HA TYR 65 HA TYR 65 7.972 3.796 4.225
474 1HB TYR 65 1HB TYR 65 8.519 6.233 3.479
475 2HB TYR 65 2HB TYR 65 6.871 5.627 3.351
476 HD1 TYR 65 HD1 TYR 65 5.182 6.308 5.096
477 HD2 TYR 65 HD2 TYR 65 9.041 8.083 4.836
478 HE1 TYR 65 HE1 TYR 65 4.397 8.206 6.450
479 HE2 TYR 65 HE2 TYR 65 8.266 9.983 6.189
480 HH TYR 65 HH TYR 65 6.025 10.094 8.090
481 H ASN 66 H ASN 66 10.066 4.390 3.425
482 HA ASN 66 HA ASN 66 11.906 5.425 5.463
483 1HB ASN 66 1HB ASN 66 11.858 2.715 4.486
484 2HB ASN 66 2HB ASN 66 13.355 3.505 4.003
485 2HD2 ASN 66 2HD2 ASN 66 14.939 3.145 5.341
486 1HD2 ASN 66 1HD2 ASN 66 14.817 2.985 7.057
487 H ARG 67 H ARG 67 10.536 6.389 3.259
488 HA ARG 67 HA ARG 67 11.094 6.902 0.894
489 1HB ARG 67 1HB ARG 67 11.634 9.400 1.402
490 2HB ARG 67 2HB ARG 67 10.083 8.721 1.876
491 1HG ARG 67 1HG ARG 67 10.688 8.576 4.109
492 2HG ARG 67 2HG ARG 67 12.404 8.766 3.749
493 1HD ARG 67 1HD ARG 67 10.666 10.988 2.902
494 2HD ARG 67 2HD ARG 67 10.811 10.760 4.642
495 HE ARG 67 HE ARG 67 13.223 11.004 4.372
496 1HH1 ARG 67 1HH1 ARG 67 11.211 12.091 1.727
497 2HH1 ARG 67 2HH1 ARG 67 12.400 13.191 1.116
498 1HH2 ARG 67 1HH2 ARG 67 14.775 12.455 3.569
499 2HH2 ARG 67 2HH2 ARG 67 14.422 13.397 2.160
500 H VAL 68 H VAL 68 12.580 6.973 -0.550
501 HA VAL 68 HA VAL 68 15.334 7.684 0.139
502 HB VAL 68 HB VAL 68 16.287 5.804 -0.969
503 1HG1 VAL 68 1HG1 VAL 68 14.628 5.465 1.283
504 2HG1 VAL 68 2HG1 VAL 68 14.413 4.040 0.270
505 3HG1 VAL 68 3HG1 VAL 68 16.026 4.502 0.807
506 1HG2 VAL 68 1HG2 VAL 68 14.014 5.809 -2.519
507 2HG2 VAL 68 2HG2 VAL 68 15.297 4.607 -2.568
508 3HG2 VAL 68 3HG2 VAL 68 13.858 4.321 -1.596
509 H THR 69 H THR 69 13.797 9.472 -1.058
510 HA THR 69 HA THR 69 13.085 9.698 -3.539
511 HB THR 69 HB THR 69 15.066 11.532 -2.211
512 HG1 THR 69 HG1 THR 69 13.274 12.728 -1.787
513 1HG2 THR 69 1HG2 THR 69 14.356 11.492 -4.967
514 2HG2 THR 69 2HG2 THR 69 13.639 12.912 -4.205
515 3HG2 THR 69 3HG2 THR 69 15.379 12.636 -4.099
516 H VAL 70 H VAL 70 13.672 8.925 -5.388
517 HA VAL 70 HA VAL 70 16.526 8.501 -5.949
518 HB VAL 70 HB VAL 70 14.807 7.210 -7.852
519 1HG1 VAL 70 1HG1 VAL 70 17.031 6.493 -6.016
520 2HG1 VAL 70 2HG1 VAL 70 16.076 5.191 -6.725
521 3HG1 VAL 70 3HG1 VAL 70 16.914 6.338 -7.768
522 1HG2 VAL 70 1HG2 VAL 70 14.144 6.832 -4.968
523 2HG2 VAL 70 2HG2 VAL 70 13.085 6.837 -6.379
524 3HG2 VAL 70 3HG2 VAL 70 14.098 5.434 -6.042
525 H MET 71 H MET 71 16.543 8.169 -8.548
526 HA MET 71 HA MET 71 17.071 9.572 -10.302
527 1HB MET 71 1HB MET 71 14.093 9.303 -10.117
528 2HB MET 71 2HB MET 71 14.834 10.174 -11.455
529 1HG MET 71 1HG MET 71 16.295 7.881 -11.347
530 2HG MET 71 2HG MET 71 14.671 7.334 -10.935
531 1HE MET 71 1HE MET 71 16.928 9.191 -13.116
532 2HE MET 71 2HE MET 71 16.826 7.963 -14.379
533 3HE MET 71 3HE MET 71 16.072 9.540 -14.618
534 H GLY 72 H GLY 72 15.172 11.606 -11.276
535 1HA GLY 72 1HA GLY 72 14.744 13.832 -11.080
536 2HA GLY 72 2HA GLY 72 16.396 13.892 -10.488
537 H GLY 73 H GLY 73 14.128 12.065 -8.644
538 1HA GLY 73 1HA GLY 73 13.455 14.294 -6.905
539 2HA GLY 73 2HA GLY 73 14.509 13.073 -6.212
540 H PHE 74 H PHE 74 13.236 10.872 -7.653
541 HA PHE 74 HA PHE 74 10.502 10.669 -7.289
542 1HB PHE 74 1HB PHE 74 12.714 8.627 -7.232
543 2HB PHE 74 2HB PHE 74 11.035 8.153 -6.987
544 HD1 PHE 74 HD1 PHE 74 11.184 10.958 -9.098
545 HD2 PHE 74 HD2 PHE 74 11.731 6.737 -9.079
546 HE1 PHE 74 HE1 PHE 74 10.846 10.908 -11.534
547 HE2 PHE 74 HE2 PHE 74 11.395 6.680 -11.516
548 HZ PHE 74 HZ PHE 74 10.952 8.767 -12.746
549 H LYS 75 H LYS 75 9.619 8.869 -5.640
550 HA LYS 75 HA LYS 75 10.738 9.132 -2.986
551 1HB LYS 75 1HB LYS 75 7.900 10.058 -3.319
552 2HB LYS 75 2HB LYS 75 8.978 10.284 -1.950
553 1HG LYS 75 1HG LYS 75 8.922 12.386 -2.871
554 2HG LYS 75 2HG LYS 75 10.371 11.709 -3.611
555 1HD LYS 75 1HD LYS 75 9.164 12.770 -5.352
556 2HD LYS 75 2HD LYS 75 8.910 11.037 -5.562
557 1HE LYS 75 1HE LYS 75 6.867 11.866 -3.857
558 2HE LYS 75 2HE LYS 75 6.988 13.137 -5.073
559 1HZ LYS 75 1HZ LYS 75 6.783 11.452 -6.798
560 2HZ LYS 75 2HZ LYS 75 6.655 10.239 -5.625
561 3HZ LYS 75 3HZ LYS 75 5.449 11.417 -5.759
562 H VAL 76 H VAL 76 10.797 6.999 -2.591
563 HA VAL 76 HA VAL 76 8.429 5.367 -3.093
564 HB VAL 76 HB VAL 76 9.952 3.383 -2.581
565 1HG1 VAL 76 1HG1 VAL 76 9.797 4.832 -4.895
566 2HG1 VAL 76 2HG1 VAL 76 11.523 4.961 -4.555
567 3HG1 VAL 76 3HG1 VAL 76 10.771 3.376 -4.708
568 1HG2 VAL 76 1HG2 VAL 76 11.437 5.533 -1.449
569 2HG2 VAL 76 2HG2 VAL 76 11.827 3.816 -1.448
570 3HG2 VAL 76 3HG2 VAL 76 12.417 4.857 -2.743
571 H GLU 77 H GLU 77 9.261 7.294 -0.887
572 HA GLU 77 HA GLU 77 9.437 7.237 1.477
573 1HB GLU 77 1HB GLU 77 6.910 5.841 1.756
574 2HB GLU 77 2HB GLU 77 7.272 7.529 2.081
575 1HG GLU 77 1HG GLU 77 6.856 6.573 -0.718
576 2HG GLU 77 2HG GLU 77 5.482 6.921 0.329
577 H ASN 78 H ASN 78 10.787 5.248 0.275
578 HA ASN 78 HA ASN 78 10.888 2.864 0.145
579 1HB ASN 78 1HB ASN 78 12.924 4.019 1.107
580 2HB ASN 78 2HB ASN 78 12.316 3.555 2.697
581 H HIS 79 H HIS 79 8.617 2.741 0.559
582 HA HIS 79 HA HIS 79 7.265 2.497 2.796
583 1HB HIS 79 1HB HIS 79 7.038 0.689 0.399
584 2HB HIS 79 2HB HIS 79 5.811 0.822 1.668
585 HD1 HIS 79 HD1 HIS 79 4.543 1.781 -0.759
586 HD2 HIS 79 HD2 HIS 79 7.203 4.150 1.320
587 HE1 HIS 79 HE1 HIS 79 4.090 4.145 -1.516
588 H THR 80 H THR 80 7.362 1.580 4.549
589 HA THR 80 HA THR 80 8.791 -0.978 4.828
590 HB THR 80 HB THR 80 9.610 -0.273 6.859
591 HG1 THR 80 HG1 THR 80 8.103 0.294 8.200
592 1HG2 THR 80 1HG2 THR 80 10.405 1.322 5.174
593 2HG2 THR 80 2HG2 THR 80 9.054 2.385 5.563
594 3HG2 THR 80 3HG2 THR 80 10.286 2.044 6.777
595 H ALA 81 H ALA 81 5.799 0.420 4.736
596 HA ALA 81 HA ALA 81 4.397 -1.922 5.415
597 1HB ALA 81 1HB ALA 81 4.808 -1.424 7.712
598 2HB ALA 81 2HB ALA 81 4.395 0.275 7.483
599 3HB ALA 81 3HB ALA 81 3.140 -0.960 7.382
600 H CYS 82 H CYS 82 2.267 -1.776 4.619
601 HA CYS 82 HA CYS 82 1.574 0.867 3.515
602 1HB CYS 82 1HB CYS 82 0.468 -1.675 2.375
603 2HB CYS 82 2HB CYS 82 0.643 -0.100 1.610
604 H HIS 83 H HIS 83 -0.738 1.245 3.181
605 HA HIS 83 HA HIS 83 -2.682 -0.263 4.604
606 1HB HIS 83 1HB HIS 83 -3.216 1.233 6.370
607 2HB HIS 83 2HB HIS 83 -1.483 0.941 6.468
608 HD1 HIS 83 HD1 HIS 83 -3.876 3.605 6.516
609 HD2 HIS 83 HD2 HIS 83 0.021 3.175 5.139
610 HE1 HIS 83 HE1 HIS 83 -2.993 5.945 6.255
611 HE2 HIS 83 HE2 HIS 83 -0.619 5.661 5.459
612 H CYS 84 H CYS 84 -4.149 -0.152 3.078
613 HA CYS 84 HA CYS 84 -4.587 2.291 1.567
614 1HB CYS 84 1HB CYS 84 -5.201 -0.557 1.220
615 2HB CYS 84 2HB CYS 84 -6.505 0.512 0.718
616 H SER 85 H SER 85 -5.922 3.797 2.302
617 HA SER 85 HA SER 85 -8.572 3.577 2.790
618 1HB SER 85 1HB SER 85 -8.848 2.446 4.701
619 2HB SER 85 2HB SER 85 -7.105 2.384 4.966
620 HG SER 85 HG SER 85 -7.210 4.328 6.034
621 H THR 86 H THR 86 -9.544 5.487 3.567
622 HA THR 86 HA THR 86 -8.715 7.872 2.928
623 HB THR 86 HB THR 86 -10.048 7.163 5.537
624 HG1 THR 86 HG1 THR 86 -10.847 7.666 2.956
625 1HG2 THR 86 1HG2 THR 86 -9.179 9.806 4.595
626 2HG2 THR 86 2HG2 THR 86 -10.855 9.689 5.132
627 3HG2 THR 86 3HG2 THR 86 -9.546 9.237 6.224
628 H CYS 87 H CYS 87 -6.660 8.563 2.936
629 HA CYS 87 HA CYS 87 -4.752 8.077 4.923
630 1HB CYS 87 1HB CYS 87 -4.955 10.139 2.743
631 2HB CYS 87 2HB CYS 87 -3.589 10.114 3.851
632 H TYR 88 H TYR 88 -4.111 9.154 6.724
633 HA TYR 88 HA TYR 88 -4.238 10.509 8.543
634 1HB TYR 88 1HB TYR 88 -3.524 12.260 7.034
635 2HB TYR 88 2HB TYR 88 -5.173 12.487 6.456
636 HD1 TYR 88 HD1 TYR 88 -3.428 12.403 9.766
637 HD2 TYR 88 HD2 TYR 88 -6.217 14.385 7.238
638 HE1 TYR 88 HE1 TYR 88 -3.793 14.100 11.509
639 HE2 TYR 88 HE2 TYR 88 -6.589 16.087 8.972
640 HH TYR 88 HH TYR 88 -6.357 16.334 11.390
641 H TYR 89 H TYR 89 -5.981 9.053 9.253
642 HA TYR 89 HA TYR 89 -8.113 10.425 10.373
643 1HB TYR 89 1HB TYR 89 -8.945 10.606 8.049
644 2HB TYR 89 2HB TYR 89 -8.955 8.849 7.933
645 HD1 TYR 89 HD1 TYR 89 -10.251 11.457 10.293
646 HD2 TYR 89 HD2 TYR 89 -11.014 7.853 8.164
647 HE1 TYR 89 HE1 TYR 89 -12.534 11.407 11.209
648 HE2 TYR 89 HE2 TYR 89 -13.298 7.794 9.072
649 HH TYR 89 HH TYR 89 -14.336 9.078 11.532
650 H HIS 90 H HIS 90 -6.950 9.004 11.914
651 HA HIS 90 HA HIS 90 -7.303 6.180 11.802
652 1HB HIS 90 1HB HIS 90 -6.787 7.714 14.335
653 2HB HIS 90 2HB HIS 90 -6.222 6.108 13.888
654 HD1 HIS 90 HD1 HIS 90 -5.061 6.959 11.073
655 HD2 HIS 90 HD2 HIS 90 -4.299 8.848 14.695
656 HE1 HIS 90 HE1 HIS 90 -2.867 8.149 10.762
657 HE2 HIS 90 HE2 HIS 90 -2.425 9.283 12.968
658 H LYS 91 H LYS 91 -9.204 5.202 12.004
659 HA LYS 91 HA LYS 91 -11.447 6.457 13.270
660 1HB LYS 91 1HB LYS 91 -11.400 3.543 12.587
661 2HB LYS 91 2HB LYS 91 -12.720 4.696 12.451
662 1HG LYS 91 1HG LYS 91 -12.273 4.805 10.284
663 2HG LYS 91 2HG LYS 91 -10.783 5.651 10.704
664 1HD LYS 91 1HD LYS 91 -9.515 3.666 10.632
665 2HD LYS 91 2HD LYS 91 -10.957 2.651 10.646
666 1HE LYS 91 1HE LYS 91 -11.346 2.931 8.425
667 2HE LYS 91 2HE LYS 91 -10.685 4.565 8.404
668 1HZ LYS 91 1HZ LYS 91 -8.715 2.551 8.960
669 2HZ LYS 91 2HZ LYS 91 -9.447 2.353 7.448
670 3HZ LYS 91 3HZ LYS 91 -8.681 3.811 7.833
671 H SER 92 H SER 92 -9.848 6.591 15.257
672 HA SER 92 HA SER 92 -10.608 4.394 17.060
673 1HB SER 92 1HB SER 92 -8.028 5.816 17.534
674 2HB SER 92 2HB SER 92 -8.481 4.154 17.909
675 HG SER 92 HG SER 92 -7.813 5.235 15.374
No H/Q in entry = 675
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 -1.296 -17.594 -17.027
2 H2 ALA 1 H2 ALA 1 -1.355 -16.542 -18.381
3 H3 ALA 1 H3 ALA 1 -1.240 -18.239 -18.613
4 HA ALA 1 HA ALA 1 0.908 -18.290 -18.301
5 1HB ALA 1 1HB ALA 1 1.931 -16.563 -19.386
6 2HB ALA 1 2HB ALA 1 1.045 -15.327 -18.492
7 3HB ALA 1 3HB ALA 1 0.252 -16.209 -19.794
8 HA PRO 2 HA PRO 2 2.612 -17.687 -14.305
9 1HB PRO 2 1HB PRO 2 4.888 -16.241 -15.583
10 2HB PRO 2 2HB PRO 2 4.912 -17.610 -14.465
11 1HG PRO 2 1HG PRO 2 5.379 -17.982 -17.054
12 2HG PRO 2 2HG PRO 2 4.409 -19.149 -16.136
13 1HD PRO 2 1HD PRO 2 3.526 -17.057 -18.076
14 2HD PRO 2 2HD PRO 2 2.876 -18.687 -17.799
15 H ASP 3 H ASP 3 3.765 -14.812 -16.066
16 HA ASP 3 HA ASP 3 3.406 -13.052 -13.911
17 1HB ASP 3 1HB ASP 3 3.544 -11.262 -15.719
18 2HB ASP 3 2HB ASP 3 4.902 -12.378 -15.622
19 H VAL 4 H VAL 4 1.795 -11.595 -13.390
20 HA VAL 4 HA VAL 4 -0.658 -11.621 -14.978
21 HB VAL 4 HB VAL 4 -2.023 -11.871 -12.892
22 1HG1 VAL 4 1HG1 VAL 4 -1.375 -13.710 -14.596
23 2HG1 VAL 4 2HG1 VAL 4 -0.375 -14.336 -13.286
24 3HG1 VAL 4 3HG1 VAL 4 -2.118 -14.180 -13.067
25 1HG2 VAL 4 1HG2 VAL 4 0.404 -11.604 -11.605
26 2HG2 VAL 4 2HG2 VAL 4 -1.112 -12.129 -10.869
27 3HG2 VAL 4 3HG2 VAL 4 0.046 -13.325 -11.454
28 H GLN 5 H GLN 5 -1.359 -9.620 -15.271
29 HA GLN 5 HA GLN 5 -0.814 -7.602 -13.199
30 1HB GLN 5 1HB GLN 5 -0.408 -7.383 -16.176
31 2HB GLN 5 2HB GLN 5 -0.603 -5.963 -15.158
32 1HG GLN 5 1HG GLN 5 1.467 -6.120 -14.319
33 2HG GLN 5 2HG GLN 5 1.406 -7.878 -14.216
34 2HE2 GLN 5 2HE2 GLN 5 1.406 -5.374 -16.737
35 1HE2 GLN 5 1HE2 GLN 5 2.567 -6.155 -17.751
36 H ASP 6 H ASP 6 -2.495 -6.351 -12.645
37 HA ASP 6 HA ASP 6 -4.570 -5.455 -14.216
38 1HB ASP 6 1HB ASP 6 -6.379 -7.087 -13.194
39 2HB ASP 6 2HB ASP 6 -5.528 -7.495 -14.680
40 H CYS 7 H CYS 7 -2.964 -4.696 -11.965
41 HA CYS 7 HA CYS 7 -3.102 -3.581 -9.988
42 1HB CYS 7 1HB CYS 7 -5.155 -2.684 -11.576
43 2HB CYS 7 2HB CYS 7 -5.995 -3.115 -10.091
44 HA PRO 8 HA PRO 8 -5.162 -7.276 -7.927
45 1HB PRO 8 1HB PRO 8 -2.923 -8.515 -7.068
46 2HB PRO 8 2HB PRO 8 -3.596 -8.799 -8.677
47 1HG PRO 8 1HG PRO 8 -1.317 -7.037 -7.861
48 2HG PRO 8 2HG PRO 8 -1.443 -8.132 -9.251
49 1HD PRO 8 1HD PRO 8 -1.820 -5.440 -9.433
50 2HD PRO 8 2HD PRO 8 -2.626 -6.607 -10.500
51 H GLU 9 H GLU 9 -5.567 -5.131 -6.702
52 HA GLU 9 HA GLU 9 -5.649 -4.050 -4.703
53 1HB GLU 9 1HB GLU 9 -5.428 -6.633 -4.019
54 2HB GLU 9 2HB GLU 9 -3.924 -6.038 -3.328
55 1HG GLU 9 1HG GLU 9 -5.037 -4.582 -1.872
56 2HG GLU 9 2HG GLU 9 -6.552 -4.712 -2.765
57 H CYS 10 H CYS 10 -4.559 -2.248 -4.336
58 HA CYS 10 HA CYS 10 -2.011 -1.710 -5.220
59 1HB CYS 10 1HB CYS 10 -3.536 0.081 -4.665
60 2HB CYS 10 2HB CYS 10 -3.528 -0.385 -2.968
61 H THR 11 H THR 11 -0.084 -1.175 -4.057
62 HA THR 11 HA THR 11 0.511 -1.927 -1.444
63 HB THR 11 HB THR 11 0.224 -4.206 -1.909
64 HG1 THR 11 HG1 THR 11 2.114 -4.426 -1.033
65 1HG2 THR 11 1HG2 THR 11 1.466 -3.638 -4.565
66 2HG2 THR 11 2HG2 THR 11 1.439 -5.271 -3.894
67 3HG2 THR 11 3HG2 THR 11 -0.074 -4.415 -4.196
68 H LEU 12 H LEU 12 3.154 -2.843 -1.835
69 HA LEU 12 HA LEU 12 4.333 -0.369 -2.774
70 1HB LEU 12 1HB LEU 12 5.256 -2.644 -1.106
71 2HB LEU 12 2HB LEU 12 6.434 -1.567 -1.839
72 HG LEU 12 HG LEU 12 5.379 0.354 -0.714
73 1HD1 LEU 12 1HD1 LEU 12 3.120 -0.855 -0.610
74 2HD1 LEU 12 2HD1 LEU 12 3.735 -1.584 0.871
75 3HD1 LEU 12 3HD1 LEU 12 3.584 0.169 0.746
76 1HD2 LEU 12 1HD2 LEU 12 6.266 -1.980 0.969
77 2HD2 LEU 12 2HD2 LEU 12 7.225 -0.608 0.411
78 3HD2 LEU 12 3HD2 LEU 12 5.976 -0.376 1.635
79 H GLN 13 H GLN 13 5.369 -0.099 -4.600
80 HA GLN 13 HA GLN 13 5.755 -2.426 -6.301
81 1HB GLN 13 1HB GLN 13 5.840 0.505 -6.894
82 2HB GLN 13 2HB GLN 13 6.123 -0.763 -8.082
83 1HG GLN 13 1HG GLN 13 3.742 -1.489 -6.920
84 2HG GLN 13 2HG GLN 13 3.635 0.267 -7.018
85 2HE2 GLN 13 2HE2 GLN 13 2.092 -1.698 -8.453
86 1HE2 GLN 13 1HE2 GLN 13 2.383 -1.437 -10.136
87 H GLU 14 H GLU 14 7.416 -2.381 -4.318
88 HA GLU 14 HA GLU 14 9.647 -1.541 -3.731
89 1HB GLU 14 1HB GLU 14 9.109 -4.159 -4.571
90 2HB GLU 14 2HB GLU 14 10.650 -3.724 -5.296
91 1HG GLU 14 1HG GLU 14 11.385 -4.553 -3.312
92 2HG GLU 14 2HG GLU 14 11.172 -2.864 -2.860
93 H ASN 15 H ASN 15 10.924 -0.094 -4.399
94 HA ASN 15 HA ASN 15 11.099 0.930 -6.931
95 1HB ASN 15 1HB ASN 15 12.039 1.625 -4.477
96 2HB ASN 15 2HB ASN 15 13.521 1.308 -5.374
97 2HD2 ASN 15 2HD2 ASN 15 10.584 3.163 -5.294
98 1HD2 ASN 15 1HD2 ASN 15 11.138 4.453 -6.299
99 HA PRO 16 HA PRO 16 13.753 -2.300 -8.656
100 1HB PRO 16 1HB PRO 16 13.136 -1.804 -11.239
101 2HB PRO 16 2HB PRO 16 12.073 -2.750 -10.191
102 1HG PRO 16 1HG PRO 16 11.864 0.115 -11.015
103 2HG PRO 16 2HG PRO 16 10.584 -1.099 -10.846
104 1HD PRO 16 1HD PRO 16 11.127 0.819 -8.965
105 2HD PRO 16 2HD PRO 16 10.382 -0.748 -8.594
106 H PHE 17 H PHE 17 13.887 0.851 -8.300
107 HA PHE 17 HA PHE 17 16.116 1.395 -10.117
108 1HB PHE 17 1HB PHE 17 14.077 2.943 -9.909
109 2HB PHE 17 2HB PHE 17 14.692 3.357 -8.313
110 HD1 PHE 17 HD1 PHE 17 17.206 2.645 -10.774
111 HD2 PHE 17 HD2 PHE 17 14.707 5.698 -9.182
112 HE1 PHE 17 HE1 PHE 17 18.658 4.354 -11.788
113 HE2 PHE 17 HE2 PHE 17 16.154 7.415 -10.195
114 HZ PHE 17 HZ PHE 17 18.129 6.742 -11.502
115 H PHE 18 H PHE 18 15.164 2.120 -6.782
116 HA PHE 18 HA PHE 18 17.908 2.380 -5.922
117 1HB PHE 18 1HB PHE 18 15.500 2.318 -4.125
118 2HB PHE 18 2HB PHE 18 17.012 3.195 -3.908
119 HD1 PHE 18 HD1 PHE 18 17.355 4.536 -6.426
120 HD2 PHE 18 HD2 PHE 18 13.803 3.910 -4.186
121 HE1 PHE 18 HE1 PHE 18 16.368 6.541 -7.455
122 HE2 PHE 18 HE2 PHE 18 12.802 5.916 -5.207
123 HZ PHE 18 HZ PHE 18 14.085 7.233 -6.845
124 H SER 19 H SER 19 16.124 -0.193 -6.635
125 HA SER 19 HA SER 19 16.275 -1.857 -4.382
126 1HB SER 19 1HB SER 19 14.804 -2.515 -6.128
127 2HB SER 19 2HB SER 19 16.087 -2.448 -7.336
128 HG SER 19 HG SER 19 16.725 -4.382 -6.771
129 H GLN 20 H GLN 20 18.216 -1.996 -3.384
130 HA GLN 20 HA GLN 20 20.552 -2.777 -4.973
131 1HB GLN 20 1HB GLN 20 21.801 -1.549 -3.566
132 2HB GLN 20 2HB GLN 20 20.285 -0.880 -2.989
133 1HG GLN 20 1HG GLN 20 20.723 -1.652 -0.970
134 2HG GLN 20 2HG GLN 20 20.718 -3.300 -1.589
135 2HE2 GLN 20 2HE2 GLN 20 22.303 -3.591 0.153
136 1HE2 GLN 20 1HE2 GLN 20 23.963 -3.246 -0.177
137 HA PRO 21 HA PRO 21 20.845 -6.884 -3.442
138 1HB PRO 21 1HB PRO 21 23.227 -6.933 -2.021
139 2HB PRO 21 2HB PRO 21 23.086 -7.120 -3.771
140 1HG PRO 21 1HG PRO 21 23.779 -4.694 -2.172
141 2HG PRO 21 2HG PRO 21 24.443 -5.247 -3.720
142 1HD PRO 21 1HD PRO 21 22.661 -3.246 -3.593
143 2HD PRO 21 2HD PRO 21 22.644 -4.419 -4.928
144 H GLY 22 H GLY 22 19.006 -6.101 -1.980
145 1HA GLY 22 1HA GLY 22 19.830 -6.125 0.849
146 2HA GLY 22 2HA GLY 22 18.594 -7.234 0.275
147 H ALA 23 H ALA 23 18.456 -4.312 -1.356
148 HA ALA 23 HA ALA 23 16.063 -3.547 0.127
149 1HB ALA 23 1HB ALA 23 17.200 -2.003 1.271
150 2HB ALA 23 3HB ALA 23 18.605 -2.110 0.210
151 3HB ALA 23 2HB ALA 23 17.231 -1.102 -0.245
152 HA PRO 24 HA PRO 24 15.117 -2.868 -4.146
153 1HB PRO 24 1HB PRO 24 12.803 -4.160 -4.065
154 2HB PRO 24 2HB PRO 24 14.332 -5.036 -3.972
155 1HG PRO 24 1HG PRO 24 12.364 -4.467 -1.829
156 2HG PRO 24 2HG PRO 24 13.500 -5.813 -1.985
157 1HD PRO 24 1HD PRO 24 13.795 -3.408 -0.472
158 2HD PRO 24 2HD PRO 24 14.942 -4.752 -0.638
159 H ILE 25 H ILE 25 14.580 -1.038 -1.840
160 HA ILE 25 HA ILE 25 12.950 0.470 -1.118
161 HB ILE 25 HB ILE 25 13.947 1.337 -3.823
162 1HG1 ILE 25 1HG1 ILE 25 15.744 0.988 -2.337
163 2HG1 ILE 25 2HG1 ILE 25 15.389 2.712 -2.182
164 1HG2 ILE 25 1HG2 ILE 25 12.250 2.658 -1.759
165 2HG2 ILE 25 2HG2 ILE 25 13.498 3.623 -2.539
166 3HG2 ILE 25 3HG2 ILE 25 12.234 2.872 -3.509
167 1HD1 ILE 25 1HD1 ILE 25 13.885 2.070 -0.249
168 2HD1 ILE 25 2HD1 ILE 25 14.661 0.488 -0.313
169 3HD1 ILE 25 3HD1 ILE 25 15.624 1.929 0.014
170 H LEU 26 H LEU 26 11.170 2.107 -2.288
171 HA LEU 26 HA LEU 26 9.310 0.478 -3.793
172 1HB LEU 26 1HB LEU 26 8.271 1.494 -1.255
173 2HB LEU 26 2HB LEU 26 7.893 0.005 -2.115
174 HG LEU 26 HG LEU 26 10.599 0.137 -1.175
175 1HD1 LEU 26 1HD1 LEU 26 8.441 0.768 0.680
176 2HD1 LEU 26 2HD1 LEU 26 9.526 -0.516 1.212
177 3HD1 LEU 26 3HD1 LEU 26 10.175 1.067 0.796
178 1HD2 LEU 26 1HD2 LEU 26 9.328 -1.859 -2.064
179 2HD2 LEU 26 2HD2 LEU 26 10.249 -2.118 -0.584
180 3HD2 LEU 26 3HD2 LEU 26 8.500 -1.899 -0.509
181 H GLN 27 H GLN 27 7.058 1.473 -3.195
182 HA GLN 27 HA GLN 27 6.551 4.135 -2.936
183 1HB GLN 27 1HB GLN 27 7.930 4.847 -4.669
184 2HB GLN 27 2HB GLN 27 7.551 3.458 -5.677
185 1HG GLN 27 1HG GLN 27 5.841 4.498 -6.658
186 2HG GLN 27 2HG GLN 27 5.227 5.121 -5.127
187 2HE2 GLN 27 2HE2 GLN 27 7.458 5.686 -7.761
188 1HE2 GLN 27 1HE2 GLN 27 7.654 7.381 -7.487
189 H CYS 28 H CYS 28 4.968 2.461 -2.123
190 HA CYS 28 HA CYS 28 3.234 0.874 -3.101
191 1HB CYS 28 1HB CYS 28 2.966 2.727 -1.074
192 2HB CYS 28 2HB CYS 28 1.581 3.050 -2.108
193 H MET 29 H MET 29 2.307 0.541 -5.007
194 HA MET 29 HA MET 29 0.771 2.695 -6.229
195 1HB MET 29 1HB MET 29 3.272 2.461 -7.123
196 2HB MET 29 2HB MET 29 2.532 1.202 -8.104
197 1HG MET 29 1HG MET 29 0.921 3.576 -8.152
198 2HG MET 29 2HG MET 29 2.585 3.950 -8.599
199 1HE MET 29 1HE MET 29 -0.707 2.332 -9.446
200 2HE MET 29 2HE MET 29 -0.415 1.360 -10.887
201 3HE MET 29 3HE MET 29 0.138 0.790 -9.313
202 H GLY 30 H GLY 30 -1.153 1.929 -6.813
203 1HA GLY 30 1HA GLY 30 -1.716 -0.872 -6.759
204 2HA GLY 30 2HA GLY 30 -1.676 -0.262 -8.404
205 H CYS 31 H CYS 31 -3.833 -1.255 -6.418
206 HA CYS 31 HA CYS 31 -5.683 1.020 -6.738
207 1HB CYS 31 1HB CYS 31 -6.167 -1.896 -7.353
208 2HB CYS 31 2HB CYS 31 -7.471 -0.728 -7.169
209 H CYS 32 H CYS 32 -7.632 0.860 -5.310
210 HA CYS 32 HA CYS 32 -7.163 -0.712 -2.880
211 1HB CYS 32 1HB CYS 32 -7.283 2.263 -3.086
212 2HB CYS 32 2HB CYS 32 -7.990 1.496 -1.669
213 H PHE 33 H PHE 33 -8.977 -1.356 -1.796
214 HA PHE 33 HA PHE 33 -11.577 -0.376 -2.738
215 1HB PHE 33 1HB PHE 33 -11.726 -3.200 -2.154
216 2HB PHE 33 2HB PHE 33 -12.210 -2.338 -3.611
217 HD1 PHE 33 HD1 PHE 33 -9.946 -1.462 -4.943
218 HD2 PHE 33 HD2 PHE 33 -10.334 -4.961 -2.553
219 HE1 PHE 33 HE1 PHE 33 -8.088 -2.503 -6.173
220 HE2 PHE 33 HE2 PHE 33 -8.478 -6.010 -3.780
221 HZ PHE 33 HZ PHE 33 -7.352 -4.780 -5.592
222 H SER 34 H SER 34 -13.272 -1.832 -1.234
223 HA SER 34 HA SER 34 -12.800 -0.786 1.399
224 1HB SER 34 1HB SER 34 -15.061 -0.945 0.197
225 2HB SER 34 2HB SER 34 -15.042 -2.655 0.633
226 HG SER 34 HG SER 34 -15.686 -0.535 2.148
227 H ARG 35 H ARG 35 -13.739 -4.079 0.415
228 HA ARG 35 HA ARG 35 -13.247 -6.117 1.289
229 1HB ARG 35 1HB ARG 35 -11.137 -6.344 0.571
230 2HB ARG 35 2HB ARG 35 -10.744 -4.677 0.963
231 1HG ARG 35 1HG ARG 35 -10.415 -5.373 3.327
232 2HG ARG 35 2HG ARG 35 -10.658 -7.046 2.819
233 1HD ARG 35 1HD ARG 35 -8.756 -5.964 1.060
234 2HD ARG 35 2HD ARG 35 -8.293 -5.422 2.672
235 HE ARG 35 HE ARG 35 -7.744 -7.580 3.208
236 1HH1 ARG 35 1HH1 ARG 35 -9.636 -7.567 0.283
237 2HH1 ARG 35 2HH1 ARG 35 -9.378 -9.248 -0.045
238 1HH2 ARG 35 1HH2 ARG 35 -7.402 -9.798 2.787
239 2HH2 ARG 35 2HH2 ARG 35 -8.107 -10.517 1.379
240 H ALA 36 H ALA 36 -12.447 -7.311 3.266
241 HA ALA 36 HA ALA 36 -13.029 -7.743 5.446
242 1HB ALA 36 3HB ALA 36 -11.612 -5.578 6.641
243 2HB ALA 36 1HB ALA 36 -10.732 -6.133 5.216
244 3HB ALA 36 2HB ALA 36 -11.143 -7.273 6.497
245 H TYR 37 H TYR 37 -15.234 -7.278 5.487
246 HA TYR 37 HA TYR 37 -15.919 -4.696 6.723
247 1HB TYR 37 1HB TYR 37 -16.845 -5.283 4.352
248 2HB TYR 37 2HB TYR 37 -17.954 -6.324 5.238
249 HD1 TYR 37 HD1 TYR 37 -18.702 -4.857 7.568
250 HD2 TYR 37 HD2 TYR 37 -17.961 -3.389 3.645
251 HE1 TYR 37 HE1 TYR 37 -20.161 -2.932 8.021
252 HE2 TYR 37 HE2 TYR 37 -19.420 -1.459 4.086
253 HH TYR 37 HH TYR 37 -20.700 -0.812 7.273
254 HA PRO 38 HA PRO 38 -18.700 -8.099 8.826
255 1HB PRO 38 1HB PRO 38 -17.287 -10.581 8.087
256 2HB PRO 38 2HB PRO 38 -19.019 -10.232 8.088
257 1HG PRO 38 1HG PRO 38 -17.639 -10.476 5.800
258 2HG PRO 38 2HG PRO 38 -18.970 -9.316 5.967
259 1HD PRO 38 1HD PRO 38 -16.016 -8.840 6.061
260 2HD PRO 38 2HD PRO 38 -17.288 -7.872 5.288
261 H THR 39 H THR 39 -18.180 -9.718 10.663
262 HA THR 39 HA THR 39 -15.599 -10.224 11.549
263 HB THR 39 HB THR 39 -15.949 -8.291 13.469
264 HG1 THR 39 HG1 THR 39 -17.590 -7.441 11.895
265 1HG2 THR 39 1HG2 THR 39 -13.963 -8.959 11.781
266 2HG2 THR 39 2HG2 THR 39 -14.416 -7.379 11.140
267 3HG2 THR 39 3HG2 THR 39 -13.939 -7.541 12.830
268 HA PRO 40 HA PRO 40 -17.552 -12.460 14.778
269 1HB PRO 40 1HB PRO 40 -16.254 -11.597 17.070
270 2HB PRO 40 2HB PRO 40 -15.642 -12.829 15.963
271 1HG PRO 40 1HG PRO 40 -14.960 -9.926 16.133
272 2HG PRO 40 2HG PRO 40 -13.899 -11.312 15.822
273 1HD PRO 40 1HD PRO 40 -14.706 -9.704 13.838
274 2HD PRO 40 2HD PRO 40 -14.532 -11.455 13.594
275 H LEU 41 H LEU 41 -19.472 -11.041 14.305
276 HA LEU 41 HA LEU 41 -20.645 -10.194 16.729
277 1HB LEU 41 1HB LEU 41 -19.280 -8.160 15.133
278 2HB LEU 41 2HB LEU 41 -20.963 -7.776 15.435
279 HG LEU 41 HG LEU 41 -19.725 -8.658 17.876
280 1HD1 LEU 41 1HD1 LEU 41 -18.262 -6.573 16.291
281 2HD1 LEU 41 2HD1 LEU 41 -18.257 -6.563 18.055
282 3HD1 LEU 41 3HD1 LEU 41 -17.614 -7.951 17.180
283 1HD2 LEU 41 1HD2 LEU 41 -21.749 -7.064 17.226
284 2HD2 LEU 41 2HD2 LEU 41 -20.884 -6.912 18.755
285 3HD2 LEU 41 3HD2 LEU 41 -20.500 -5.833 17.413
286 H ARG 42 H ARG 42 -21.684 -12.000 15.287
287 HA ARG 42 HA ARG 42 -23.623 -12.664 14.294
288 1HB ARG 42 1HB ARG 42 -24.276 -9.711 14.273
289 2HB ARG 42 2HB ARG 42 -25.404 -11.000 13.873
290 1HG ARG 42 1HG ARG 42 -24.183 -11.469 16.439
291 2HG ARG 42 2HG ARG 42 -24.943 -9.877 16.376
292 1HD ARG 42 1HD ARG 42 -26.394 -12.292 15.368
293 2HD ARG 42 2HD ARG 42 -26.345 -11.943 17.094
294 HE ARG 42 HE ARG 42 -27.570 -9.958 16.697
295 1HH1 ARG 42 1HH1 ARG 42 -27.136 -11.905 13.834
296 2HH1 ARG 42 2HH1 ARG 42 -28.422 -11.139 12.967
297 1HH2 ARG 42 1HH2 ARG 42 -29.261 -8.949 15.556
298 2HH2 ARG 42 2HH2 ARG 42 -29.629 -9.460 13.943
299 H SER 43 H SER 43 -24.240 -13.145 12.222
300 HA SER 43 HA SER 43 -23.494 -11.431 10.017
301 1HB SER 43 1HB SER 43 -21.407 -12.695 10.497
302 2HB SER 43 2HB SER 43 -22.287 -14.201 10.237
303 HG SER 43 HG SER 43 -21.635 -12.186 8.372
304 H LYS 44 H LYS 44 -23.511 -14.440 8.753
305 HA LYS 44 HA LYS 44 -25.017 -15.680 7.596
306 1HB LYS 44 1HB LYS 44 -26.222 -15.174 10.187
307 2HB LYS 44 2HB LYS 44 -27.441 -15.388 8.938
308 1HG LYS 44 1HG LYS 44 -25.180 -17.327 9.303
309 2HG LYS 44 2HG LYS 44 -26.692 -17.457 10.205
310 1HD LYS 44 1HD LYS 44 -27.917 -17.518 8.053
311 2HD LYS 44 2HD LYS 44 -26.369 -17.507 7.206
312 1HE LYS 44 1HE LYS 44 -26.809 -19.759 7.267
313 2HE LYS 44 2HE LYS 44 -25.862 -19.566 8.742
314 1HZ LYS 44 1HZ LYS 44 -28.803 -19.358 8.817
315 2HZ LYS 44 2HZ LYS 44 -28.053 -20.875 8.836
316 3HZ LYS 44 3HZ LYS 44 -27.732 -19.756 10.064
317 H LYS 45 H LYS 45 -27.467 -15.576 6.798
318 HA LYS 45 HA LYS 45 -28.136 -14.413 4.750
319 1HB LYS 45 1HB LYS 45 -30.028 -13.087 6.490
320 2HB LYS 45 2HB LYS 45 -30.276 -14.421 5.371
321 1HG LYS 45 1HG LYS 45 -29.943 -16.019 6.985
322 2HG LYS 45 2HG LYS 45 -28.965 -14.950 7.994
323 1HD LYS 45 1HD LYS 45 -31.157 -13.592 8.247
324 2HD LYS 45 2HD LYS 45 -31.942 -15.075 7.700
325 1HE LYS 45 1HE LYS 45 -31.938 -15.144 10.069
326 2HE LYS 45 2HE LYS 45 -30.699 -16.276 9.529
327 1HZ LYS 45 1HZ LYS 45 -29.072 -14.419 9.882
328 2HZ LYS 45 2HZ LYS 45 -30.307 -13.567 10.661
329 3HZ LYS 45 3HZ LYS 45 -29.772 -15.042 11.290
330 H THR 46 H THR 46 -27.646 -12.725 3.569
331 HA THR 46 HA THR 46 -27.219 -10.126 4.889
332 HB THR 46 HB THR 46 -25.143 -10.812 3.959
333 HG1 THR 46 HG1 THR 46 -26.355 -9.138 2.019
334 1HG2 THR 46 1HG2 THR 46 -26.684 -12.205 2.054
335 2HG2 THR 46 2HG2 THR 46 -25.668 -11.058 1.179
336 3HG2 THR 46 3HG2 THR 46 -24.934 -12.225 2.279
337 H MET 47 H MET 47 -27.860 -8.229 3.682
338 HA MET 47 HA MET 47 -29.125 -7.982 1.313
339 1HB MET 47 1HB MET 47 -30.736 -9.597 3.084
340 2HB MET 47 2HB MET 47 -31.593 -8.125 2.650
341 1HG MET 47 1HG MET 47 -30.396 -9.213 0.305
342 2HG MET 47 2HG MET 47 -31.285 -10.486 1.142
343 1HE MET 47 1HE MET 47 -31.400 -8.606 -1.600
344 2HE MET 47 2HE MET 47 -32.630 -9.860 -1.743
345 3HE MET 47 3HE MET 47 -33.079 -8.163 -1.911
346 H LEU 48 H LEU 48 -28.463 -5.886 1.464
347 HA LEU 48 HA LEU 48 -30.108 -4.134 3.111
348 1HB LEU 48 1HB LEU 48 -27.102 -4.243 3.246
349 2HB LEU 48 2HB LEU 48 -28.025 -2.848 3.771
350 HG LEU 48 HG LEU 48 -29.270 -4.745 5.207
351 1HD1 LEU 48 1HD1 LEU 48 -26.557 -5.807 4.559
352 2HD1 LEU 48 2HD1 LEU 48 -27.270 -6.114 6.143
353 3HD1 LEU 48 3HD1 LEU 48 -28.097 -6.658 4.684
354 1HD2 LEU 48 1HD2 LEU 48 -27.653 -2.604 5.713
355 2HD2 LEU 48 2HD2 LEU 48 -28.427 -3.604 6.943
356 3HD2 LEU 48 3HD2 LEU 48 -26.759 -3.924 6.466
357 H VAL 49 H VAL 49 -30.401 -2.102 2.261
358 HA VAL 49 HA VAL 49 -30.193 -1.769 -0.492
359 HB VAL 49 HB VAL 49 -30.177 0.664 1.224
360 1HG1 VAL 49 1HG1 VAL 49 -30.464 0.818 -1.208
361 2HG1 VAL 49 2HG1 VAL 49 -31.902 -0.197 -1.094
362 3HG1 VAL 49 3HG1 VAL 49 -31.884 1.396 -0.338
363 1HG2 VAL 49 1HG2 VAL 49 -32.052 -1.582 1.518
364 2HG2 VAL 49 2HG2 VAL 49 -31.646 -0.284 2.641
365 3HG2 VAL 49 3HG2 VAL 49 -32.797 0.006 1.337
366 H GLN 50 H GLN 50 -28.474 -1.468 -1.732
367 HA GLN 50 HA GLN 50 -25.988 -0.511 -0.571
368 1HB GLN 50 1HB GLN 50 -24.902 -1.479 -2.348
369 2HB GLN 50 2HB GLN 50 -26.340 -2.485 -2.276
370 1HG GLN 50 1HG GLN 50 -26.708 -2.018 -4.402
371 2HG GLN 50 2HG GLN 50 -27.004 -0.342 -3.946
372 2HE2 GLN 50 2HE2 GLN 50 -26.168 0.396 -5.909
373 1HE2 GLN 50 1HE2 GLN 50 -24.473 0.398 -6.238
374 H LYS 51 H LYS 51 -28.095 1.375 -0.737
375 HA LYS 51 HA LYS 51 -27.524 3.114 -2.984
376 1HB LYS 51 1HB LYS 51 -29.732 2.707 -1.349
377 2HB LYS 51 2HB LYS 51 -29.112 4.266 -0.827
378 1HG LYS 51 1HG LYS 51 -29.310 5.160 -3.035
379 2HG LYS 51 2HG LYS 51 -29.722 3.573 -3.690
380 1HD LYS 51 1HD LYS 51 -31.814 3.558 -2.580
381 2HD LYS 51 2HD LYS 51 -31.372 4.940 -1.576
382 1HE LYS 51 1HE LYS 51 -31.444 6.413 -3.458
383 2HE LYS 51 2HE LYS 51 -31.638 5.063 -4.574
384 1HZ LYS 51 1HZ LYS 51 -33.738 4.664 -3.032
385 2HZ LYS 51 2HZ LYS 51 -33.604 6.338 -2.840
386 3HZ LYS 51 3HZ LYS 51 -33.792 5.677 -4.387
387 H ASN 52 H ASN 52 -27.854 5.592 -1.618
388 HA ASN 52 HA ASN 52 -26.512 7.258 -0.827
389 1HB ASN 52 1HB ASN 52 -25.356 5.629 1.330
390 2HB ASN 52 2HB ASN 52 -26.303 7.113 1.419
391 2HD2 ASN 52 2HD2 ASN 52 -28.614 6.365 0.168
392 1HD2 ASN 52 1HD2 ASN 52 -29.408 5.139 1.092
393 H VAL 53 H VAL 53 -25.313 5.672 -2.858
394 HA VAL 53 HA VAL 53 -23.281 4.974 -3.704
395 HB VAL 53 HB VAL 53 -21.916 6.778 -4.123
396 1HG1 VAL 53 1HG1 VAL 53 -24.566 7.838 -3.199
397 2HG1 VAL 53 2HG1 VAL 53 -23.352 8.885 -3.935
398 3HG1 VAL 53 3HG1 VAL 53 -24.012 7.525 -4.844
399 1HG2 VAL 53 1HG2 VAL 53 -22.195 7.272 -1.246
400 2HG2 VAL 53 2HG2 VAL 53 -20.803 7.492 -2.307
401 3HG2 VAL 53 3HG2 VAL 53 -22.057 8.729 -2.231
402 H THR 54 H THR 54 -20.661 5.660 -2.863
403 HA THR 54 HA THR 54 -20.026 5.095 -0.227
404 HB THR 54 HB THR 54 -21.228 2.931 -0.829
405 HG1 THR 54 HG1 THR 54 -20.051 2.067 0.671
406 1HG2 THR 54 1HG2 THR 54 -19.142 2.870 -2.839
407 2HG2 THR 54 2HG2 THR 54 -19.164 1.424 -1.832
408 3HG2 THR 54 3HG2 THR 54 -20.618 1.915 -2.702
409 H SER 55 H SER 55 -19.048 6.637 -2.414
410 HA SER 55 HA SER 55 -16.285 5.641 -2.488
411 1HB SER 55 1HB SER 55 -16.023 6.002 -4.775
412 2HB SER 55 2HB SER 55 -17.662 5.354 -4.690
413 HG SER 55 HG SER 55 -17.991 7.123 -5.842
414 H GLU 56 H GLU 56 -15.767 7.081 -0.826
415 HA GLU 56 HA GLU 56 -16.228 9.915 -1.180
416 1HB GLU 56 1HB GLU 56 -16.248 8.591 1.039
417 2HB GLU 56 2HB GLU 56 -14.497 8.694 0.953
418 1HG GLU 56 1HG GLU 56 -14.872 11.224 0.690
419 2HG GLU 56 2HG GLU 56 -16.497 10.890 1.287
420 H SER 57 H SER 57 -13.184 8.511 -0.065
421 HA SER 57 HA SER 57 -11.666 9.068 -2.374
422 1HB SER 57 1HB SER 57 -11.062 11.065 -0.217
423 2HB SER 57 2HB SER 57 -10.647 11.116 -1.930
424 HG SER 57 HG SER 57 -12.554 11.932 -2.385
425 H THR 58 H THR 58 -10.515 7.249 -2.055
426 HA THR 58 HA THR 58 -8.800 7.164 0.330
427 HB THR 58 HB THR 58 -9.494 4.507 -0.600
428 HG1 THR 58 HG1 THR 58 -11.589 6.228 0.198
429 1HG2 THR 58 1HG2 THR 58 -9.329 5.959 1.957
430 2HG2 THR 58 2HG2 THR 58 -10.419 4.574 1.900
431 3HG2 THR 58 3HG2 THR 58 -8.711 4.371 1.505
432 H CYS 59 H CYS 59 -6.832 5.935 0.051
433 HA CYS 59 HA CYS 59 -6.012 4.752 -2.338
434 1HB CYS 59 1HB CYS 59 -4.320 6.769 -2.835
435 2HB CYS 59 2HB CYS 59 -5.894 6.637 -3.613
436 H CYS 60 H CYS 60 -4.341 3.512 -1.830
437 HA CYS 60 HA CYS 60 -3.193 3.138 0.543
438 1HB CYS 60 1HB CYS 60 -0.970 2.835 -1.089
439 2HB CYS 60 2HB CYS 60 -2.179 1.606 -0.739
440 H VAL 61 H VAL 61 -1.688 4.002 1.866
441 HA VAL 61 HA VAL 61 0.008 6.186 0.973
442 HB VAL 61 HB VAL 61 -0.874 7.274 3.319
443 1HG1 VAL 61 1HG1 VAL 61 -1.818 7.799 0.506
444 2HG1 VAL 61 2HG1 VAL 61 -2.113 8.882 1.866
445 3HG1 VAL 61 3HG1 VAL 61 -0.461 8.555 1.339
446 1HG2 VAL 61 1HG2 VAL 61 -3.187 5.890 1.991
447 2HG2 VAL 61 2HG2 VAL 61 -2.725 5.880 3.693
448 3HG2 VAL 61 3HG2 VAL 61 -3.408 7.338 2.973
449 H ALA 62 H ALA 62 1.387 4.261 1.420
450 HA ALA 62 HA ALA 62 2.264 2.729 3.083
451 1HB ALA 62 1HB ALA 62 3.770 5.311 2.852
452 2HB ALA 62 3HB ALA 62 4.418 3.884 3.660
453 3HB ALA 62 2HB ALA 62 4.009 3.816 1.947
454 H LYS 63 H LYS 63 1.258 2.238 4.931
455 HA LYS 63 HA LYS 63 0.456 3.923 6.983
456 1HB LYS 63 1HB LYS 63 -0.186 1.530 6.733
457 2HB LYS 63 2HB LYS 63 1.442 1.072 7.219
458 1HG LYS 63 1HG LYS 63 0.752 2.668 9.279
459 2HG LYS 63 2HG LYS 63 -0.824 2.005 8.842
460 1HD LYS 63 1HD LYS 63 1.225 -0.039 8.855
461 2HD LYS 63 2HD LYS 63 1.128 0.790 10.410
462 1HE LYS 63 1HE LYS 63 -0.727 -0.320 10.921
463 2HE LYS 63 2HE LYS 63 -1.515 0.272 9.459
464 1HZ LYS 63 1HZ LYS 63 -0.437 -1.568 8.244
465 2HZ LYS 63 2HZ LYS 63 0.159 -2.167 9.710
466 3HZ LYS 63 3HZ LYS 63 -1.510 -2.103 9.436
467 H SER 64 H SER 64 3.513 2.452 6.240
468 HA SER 64 HA SER 64 4.872 4.206 8.092
469 1HB SER 64 1HB SER 64 5.269 1.207 8.280
470 2HB SER 64 2HB SER 64 6.077 2.438 9.251
471 HG SER 64 HG SER 64 3.906 1.211 9.890
472 H TYR 65 H TYR 65 6.626 4.974 7.112
473 HA TYR 65 HA TYR 65 7.613 3.573 4.716
474 1HB TYR 65 1HB TYR 65 8.720 5.930 4.417
475 2HB TYR 65 2HB TYR 65 7.029 5.665 4.010
476 HD1 TYR 65 HD1 TYR 65 8.917 6.435 7.146
477 HD2 TYR 65 HD2 TYR 65 5.675 7.439 4.580
478 HE1 TYR 65 HE1 TYR 65 8.270 8.245 8.681
479 HE2 TYR 65 HE2 TYR 65 5.021 9.253 6.107
480 HH TYR 65 HH TYR 65 7.002 10.140 8.866
481 H ASN 66 H ASN 66 9.878 3.825 4.177
482 HA ASN 66 HA ASN 66 11.620 4.056 6.531
483 1HB ASN 66 1HB ASN 66 11.167 1.670 4.975
484 2HB ASN 66 2HB ASN 66 12.842 2.188 4.819
485 2HD2 ASN 66 2HD2 ASN 66 13.722 0.546 5.978
486 1HD2 ASN 66 1HD2 ASN 66 13.492 0.347 7.678
487 H ARG 67 H ARG 67 10.759 5.713 4.471
488 HA ARG 67 HA ARG 67 11.817 6.475 2.309
489 1HB ARG 67 1HB ARG 67 12.563 8.726 3.320
490 2HB ARG 67 2HB ARG 67 10.880 8.240 3.486
491 1HG ARG 67 1HG ARG 67 11.119 7.701 5.717
492 2HG ARG 67 2HG ARG 67 12.875 7.591 5.598
493 1HD ARG 67 1HD ARG 67 12.645 10.140 4.955
494 2HD ARG 67 2HD ARG 67 11.130 9.995 5.844
495 HE ARG 67 HE ARG 67 13.753 10.092 6.944
496 1HH1 ARG 67 1HH1 ARG 67 10.584 8.730 7.403
497 2HH1 ARG 67 2HH1 ARG 67 10.762 8.558 9.116
498 1HH2 ARG 67 1HH2 ARG 67 14.004 9.871 9.201
499 2HH2 ARG 67 2HH2 ARG 67 12.708 9.209 10.141
500 H VAL 68 H VAL 68 13.503 5.537 1.465
501 HA VAL 68 HA VAL 68 16.121 5.737 2.748
502 HB VAL 68 HB VAL 68 16.910 4.097 1.195
503 1HG1 VAL 68 1HG1 VAL 68 14.600 3.619 2.821
504 2HG1 VAL 68 2HG1 VAL 68 14.570 2.559 1.417
505 3HG1 VAL 68 3HG1 VAL 68 15.967 2.558 2.490
506 1HG2 VAL 68 1HG2 VAL 68 15.306 5.199 -0.651
507 2HG2 VAL 68 2HG2 VAL 68 16.002 3.589 -0.820
508 3HG2 VAL 68 3HG2 VAL 68 14.345 3.779 -0.247
509 H THR 69 H THR 69 15.150 8.113 1.942
510 HA THR 69 HA THR 69 15.212 9.364 -0.266
511 HB THR 69 HB THR 69 17.271 9.968 1.847
512 HG1 THR 69 HG1 THR 69 15.012 10.144 2.384
513 1HG2 THR 69 1HG2 THR 69 17.350 10.989 -0.692
514 2HG2 THR 69 2HG2 THR 69 16.404 12.189 0.188
515 3HG2 THR 69 3HG2 THR 69 18.017 11.753 0.751
516 H VAL 70 H VAL 70 15.988 9.067 -2.185
517 HA VAL 70 HA VAL 70 18.731 8.051 -2.481
518 HB VAL 70 HB VAL 70 17.210 7.789 -4.891
519 1HG1 VAL 70 1HG1 VAL 70 19.308 6.620 -4.234
520 2HG1 VAL 70 2HG1 VAL 70 18.362 5.666 -3.092
521 3HG1 VAL 70 3HG1 VAL 70 18.041 5.546 -4.822
522 1HG2 VAL 70 1HG2 VAL 70 15.692 7.254 -2.520
523 2HG2 VAL 70 2HG2 VAL 70 15.218 7.069 -4.206
524 3HG2 VAL 70 3HG2 VAL 70 16.012 5.741 -3.362
525 H MET 71 H MET 71 18.931 8.370 -5.153
526 HA MET 71 HA MET 71 20.338 10.416 -5.702
527 1HB MET 71 1HB MET 71 18.194 9.223 -7.344
528 2HB MET 71 2HB MET 71 18.930 10.707 -7.939
529 1HG MET 71 1HG MET 71 21.135 9.367 -7.292
530 2HG MET 71 2HG MET 71 20.070 8.011 -7.650
531 1HE MET 71 1HE MET 71 18.263 8.599 -9.653
532 2HE MET 71 2HE MET 71 18.919 8.828 -11.275
533 3HE MET 71 3HE MET 71 19.344 7.391 -10.346
534 H GLY 72 H GLY 72 20.362 12.566 -6.111
535 1HA GLY 72 1HA GLY 72 18.355 14.319 -6.581
536 2HA GLY 72 2HA GLY 72 19.774 14.732 -5.631
537 H GLY 73 H GLY 73 18.855 12.601 -3.631
538 1HA GLY 73 1HA GLY 73 17.338 14.439 -2.003
539 2HA GLY 73 2HA GLY 73 17.933 12.861 -1.517
540 H PHE 74 H PHE 74 16.640 11.577 -3.887
541 HA PHE 74 HA PHE 74 13.911 11.974 -4.028
542 1HB PHE 74 1HB PHE 74 15.590 9.492 -4.286
543 2HB PHE 74 2HB PHE 74 13.838 9.420 -4.446
544 HD1 PHE 74 HD1 PHE 74 12.851 11.268 -6.097
545 HD2 PHE 74 HD2 PHE 74 16.819 9.736 -6.199
546 HE1 PHE 74 HE1 PHE 74 13.040 11.927 -8.461
547 HE2 PHE 74 HE2 PHE 74 17.017 10.392 -8.562
548 HZ PHE 74 HZ PHE 74 15.126 11.489 -9.695
549 H LYS 75 H LYS 75 12.444 9.910 -3.225
550 HA LYS 75 HA LYS 75 12.926 9.118 -0.533
551 1HB LYS 75 1HB LYS 75 11.308 11.553 -1.053
552 2HB LYS 75 2HB LYS 75 10.715 10.441 0.174
553 1HG LYS 75 1HG LYS 75 13.334 10.644 0.860
554 2HG LYS 75 2HG LYS 75 13.008 12.259 0.226
555 1HD LYS 75 1HD LYS 75 10.804 11.827 1.760
556 2HD LYS 75 2HD LYS 75 12.038 10.956 2.671
557 1HE LYS 75 1HE LYS 75 13.419 12.932 2.769
558 2HE LYS 75 2HE LYS 75 12.290 13.810 1.739
559 1HZ LYS 75 1HZ LYS 75 10.617 13.216 3.611
560 2HZ LYS 75 2HZ LYS 75 12.006 13.031 4.557
561 3HZ LYS 75 3HZ LYS 75 11.680 14.517 3.817
562 H VAL 76 H VAL 76 12.254 7.105 -0.842
563 HA VAL 76 HA VAL 76 9.688 6.566 -2.123
564 HB VAL 76 HB VAL 76 10.434 4.095 -1.940
565 1HG1 VAL 76 1HG1 VAL 76 11.304 6.136 -3.725
566 2HG1 VAL 76 2HG1 VAL 76 12.733 5.176 -3.342
567 3HG1 VAL 76 3HG1 VAL 76 11.294 4.394 -3.993
568 1HG2 VAL 76 1HG2 VAL 76 12.245 5.383 -0.164
569 2HG2 VAL 76 2HG2 VAL 76 12.170 3.675 -0.583
570 3HG2 VAL 76 3HG2 VAL 76 13.216 4.764 -1.496
571 H GLU 77 H GLU 77 10.422 7.583 0.614
572 HA GLU 77 HA GLU 77 10.014 7.009 2.867
573 1HB GLU 77 1HB GLU 77 7.328 6.292 2.693
574 2HB GLU 77 2HB GLU 77 7.933 7.933 2.877
575 1HG GLU 77 1HG GLU 77 7.973 8.154 0.435
576 2HG GLU 77 2HG GLU 77 7.308 6.531 0.295
577 H ASN 78 H ASN 78 11.159 5.075 1.384
578 HA ASN 78 HA ASN 78 10.736 2.801 0.671
579 1HB ASN 78 1HB ASN 78 12.873 3.219 1.928
580 2HB ASN 78 2HB ASN 78 12.039 2.666 3.385
581 H HIS 79 H HIS 79 8.449 3.019 0.927
582 HA HIS 79 HA HIS 79 6.854 2.685 2.957
583 1HB HIS 79 1HB HIS 79 6.654 1.232 0.333
584 2HB HIS 79 2HB HIS 79 5.331 1.328 1.504
585 HD1 HIS 79 HD1 HIS 79 4.327 2.690 -0.759
586 HD2 HIS 79 HD2 HIS 79 7.153 4.508 1.658
587 HE1 HIS 79 HE1 HIS 79 4.202 5.159 -1.295
588 H THR 80 H THR 80 6.647 1.522 4.591
589 HA THR 80 HA THR 80 7.720 -1.227 4.594
590 HB THR 80 HB THR 80 8.364 -0.964 6.812
591 HG1 THR 80 HG1 THR 80 7.510 1.062 7.928
592 1HG2 THR 80 1HG2 THR 80 8.697 1.586 5.319
593 2HG2 THR 80 2HG2 THR 80 9.175 1.516 7.014
594 3HG2 THR 80 3HG2 THR 80 9.908 0.417 5.845
595 H ALA 81 H ALA 81 4.922 0.640 4.756
596 HA ALA 81 HA ALA 81 3.236 -1.643 5.006
597 1HB ALA 81 3HB ALA 81 3.689 -1.311 7.385
598 2HB ALA 81 1HB ALA 81 3.196 0.377 7.255
599 3HB ALA 81 2HB ALA 81 2.013 -0.908 7.012
600 H CYS 82 H CYS 82 1.262 -1.187 4.034
601 HA CYS 82 HA CYS 82 0.853 1.640 3.308
602 1HB CYS 82 1HB CYS 82 1.411 -0.376 1.547
603 2HB CYS 82 2HB CYS 82 -0.348 -0.341 1.504
604 H HIS 83 H HIS 83 -1.218 2.456 3.272
605 HA HIS 83 HA HIS 83 -3.447 0.744 3.996
606 1HB HIS 83 1HB HIS 83 -4.070 2.068 5.952
607 2HB HIS 83 2HB HIS 83 -2.463 1.385 6.169
608 HD1 HIS 83 HD1 HIS 83 -3.937 4.190 7.260
609 HD2 HIS 83 HD2 HIS 83 -0.690 3.696 4.714
610 HE1 HIS 83 HE1 HIS 83 -2.643 6.342 7.395
611 HE2 HIS 83 HE2 HIS 83 -0.691 6.028 5.833
612 H CYS 84 H CYS 84 -4.999 1.295 2.604
613 HA CYS 84 HA CYS 84 -5.007 3.653 1.078
614 1HB CYS 84 1HB CYS 84 -7.479 2.022 1.638
615 2HB CYS 84 2HB CYS 84 -7.068 2.914 0.178
616 H SER 85 H SER 85 -5.633 5.665 1.550
617 HA SER 85 HA SER 85 -7.852 6.212 3.286
618 1HB SER 85 1HB SER 85 -5.152 7.196 4.224
619 2HB SER 85 2HB SER 85 -6.702 7.355 5.051
620 HG SER 85 HG SER 85 -5.768 5.648 6.015
621 H THR 86 H THR 86 -6.937 8.871 3.984
622 HA THR 86 HA THR 86 -7.744 10.259 1.661
623 HB THR 86 HB THR 86 -6.302 11.430 4.043
624 HG1 THR 86 HG1 THR 86 -7.946 10.719 5.120
625 1HG2 THR 86 1HG2 THR 86 -7.001 12.772 1.857
626 2HG2 THR 86 2HG2 THR 86 -8.543 12.817 2.713
627 3HG2 THR 86 3HG2 THR 86 -7.092 13.466 3.475
628 H CYS 87 H CYS 87 -6.620 11.348 0.119
629 HA CYS 87 HA CYS 87 -3.929 12.103 0.249
630 1HB CYS 87 1HB CYS 87 -3.500 10.205 -1.724
631 2HB CYS 87 2HB CYS 87 -2.866 10.155 -0.084
632 H TYR 88 H TYR 88 -3.044 12.288 -2.182
633 HA TYR 88 HA TYR 88 -4.471 14.225 -3.452
634 1HB TYR 88 1HB TYR 88 -2.205 12.590 -4.089
635 2HB TYR 88 2HB TYR 88 -3.210 12.767 -5.526
636 HD1 TYR 88 HD1 TYR 88 -4.227 15.412 -5.475
637 HD2 TYR 88 HD2 TYR 88 -0.417 14.041 -4.170
638 HE1 TYR 88 HE1 TYR 88 -3.298 17.657 -5.853
639 HE2 TYR 88 HE2 TYR 88 0.524 16.283 -4.543
640 HH TYR 88 HH TYR 88 -1.511 19.014 -5.360
641 H TYR 89 H TYR 89 -6.328 14.328 -4.490
642 HA TYR 89 HA TYR 89 -7.609 11.842 -5.361
643 1HB TYR 89 1HB TYR 89 -8.947 13.179 -3.855
644 2HB TYR 89 2HB TYR 89 -8.719 14.610 -4.855
645 HD1 TYR 89 HD1 TYR 89 -9.792 11.089 -5.535
646 HD2 TYR 89 HD2 TYR 89 -10.670 15.235 -5.896
647 HE1 TYR 89 HE1 TYR 89 -11.844 10.541 -6.772
648 HE2 TYR 89 HE2 TYR 89 -12.725 14.700 -7.136
649 HH TYR 89 HH TYR 89 -14.180 11.847 -7.136
650 H HIS 90 H HIS 90 -7.625 15.206 -6.524
651 HA HIS 90 HA HIS 90 -6.488 14.684 -9.031
652 1HB HIS 90 1HB HIS 90 -9.311 14.031 -8.808
653 2HB HIS 90 2HB HIS 90 -9.020 15.260 -10.036
654 HD1 HIS 90 HD1 HIS 90 -9.638 13.545 -11.892
655 HD2 HIS 90 HD2 HIS 90 -6.316 12.500 -9.626
656 HE1 HIS 90 HE1 HIS 90 -8.519 11.685 -13.160
657 HE2 HIS 90 HE2 HIS 90 -6.574 10.996 -11.715
658 H LYS 91 H LYS 91 -6.980 16.681 -6.743
659 HA LYS 91 HA LYS 91 -6.606 19.022 -8.319
660 1HB LYS 91 1HB LYS 91 -9.259 18.390 -7.874
661 2HB LYS 91 2HB LYS 91 -8.906 19.551 -6.601
662 1HG LYS 91 1HG LYS 91 -8.149 20.122 -9.437
663 2HG LYS 91 2HG LYS 91 -9.793 20.404 -8.862
664 1HD LYS 91 1HD LYS 91 -7.326 21.546 -7.557
665 2HD LYS 91 2HD LYS 91 -8.301 22.404 -8.752
666 1HE LYS 91 1HE LYS 91 -9.802 22.984 -7.215
667 2HE LYS 91 2HE LYS 91 -9.963 21.317 -6.664
668 1HZ LYS 91 1HZ LYS 91 -7.659 22.970 -5.844
669 2HZ LYS 91 2HZ LYS 91 -9.130 23.059 -5.014
670 3HZ LYS 91 3HZ LYS 91 -8.294 21.591 -5.098
671 H SER 92 H SER 92 -5.883 17.308 -5.742
672 HA SER 92 HA SER 92 -4.542 17.804 -3.952
673 1HB SER 92 1HB SER 92 -4.238 20.056 -5.409
674 2HB SER 92 2HB SER 92 -5.050 20.723 -3.993
675 HG SER 92 HG SER 92 -3.414 19.660 -2.722
No H/Q in entry = 675
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 -5.388 -1.171 -20.891
2 H2 ALA 1 H2 ALA 1 -4.185 0.009 -21.210
3 H3 ALA 1 H3 ALA 1 -3.759 -1.472 -20.455
4 HA ALA 1 HA ALA 1 -3.960 -0.466 -18.562
5 1HB ALA 1 1HB ALA 1 -3.808 1.667 -19.911
6 2HB ALA 1 2HB ALA 1 -4.592 1.800 -18.337
7 3HB ALA 1 3HB ALA 1 -5.566 1.753 -19.806
8 HA PRO 2 HA PRO 2 -7.973 -2.487 -17.877
9 1HB PRO 2 1HB PRO 2 -6.793 -2.841 -15.194
10 2HB PRO 2 2HB PRO 2 -7.454 -4.050 -16.299
11 1HG PRO 2 1HG PRO 2 -4.818 -3.850 -15.866
12 2HG PRO 2 2HG PRO 2 -5.468 -4.265 -17.463
13 1HD PRO 2 1HD PRO 2 -4.409 -1.647 -16.467
14 2HD PRO 2 2HD PRO 2 -4.180 -2.427 -18.046
15 H ASP 3 H ASP 3 -9.650 -2.181 -16.198
16 HA ASP 3 HA ASP 3 -9.398 0.285 -14.655
17 1HB ASP 3 1HB ASP 3 -10.397 0.825 -16.910
18 2HB ASP 3 2HB ASP 3 -11.766 -0.191 -16.468
19 H VAL 4 H VAL 4 -11.308 -2.577 -15.446
20 HA VAL 4 HA VAL 4 -12.233 -2.625 -12.651
21 HB VAL 4 HB VAL 4 -13.931 -2.189 -14.692
22 1HG1 VAL 4 1HG1 VAL 4 -13.178 -4.683 -15.367
23 2HG1 VAL 4 2HG1 VAL 4 -14.552 -5.046 -14.324
24 3HG1 VAL 4 3HG1 VAL 4 -14.764 -4.007 -15.730
25 1HG2 VAL 4 1HG2 VAL 4 -14.416 -3.754 -12.168
26 2HG2 VAL 4 2HG2 VAL 4 -14.607 -2.020 -12.424
27 3HG2 VAL 4 3HG2 VAL 4 -15.711 -3.153 -13.204
28 H GLN 5 H GLN 5 -12.089 -4.551 -11.583
29 HA GLN 5 HA GLN 5 -11.532 -6.716 -11.137
30 1HB GLN 5 1HB GLN 5 -11.618 -7.203 -14.114
31 2HB GLN 5 2HB GLN 5 -11.771 -8.398 -12.832
32 1HG GLN 5 1HG GLN 5 -13.733 -6.155 -13.141
33 2HG GLN 5 2HG GLN 5 -13.890 -7.662 -14.040
34 2HE2 GLN 5 2HE2 GLN 5 -14.950 -9.265 -13.106
35 1HE2 GLN 5 1HE2 GLN 5 -15.343 -9.376 -11.428
36 H ASP 6 H ASP 6 -9.866 -8.511 -12.412
37 HA ASP 6 HA ASP 6 -7.598 -8.936 -12.253
38 1HB ASP 6 1HB ASP 6 -7.726 -6.906 -14.495
39 2HB ASP 6 2HB ASP 6 -6.399 -8.031 -14.217
40 H CYS 7 H CYS 7 -7.567 -7.792 -10.121
41 HA CYS 7 HA CYS 7 -5.689 -5.532 -10.255
42 1HB CYS 7 1HB CYS 7 -8.250 -5.175 -9.507
43 2HB CYS 7 2HB CYS 7 -7.562 -5.638 -7.955
44 HA PRO 8 HA PRO 8 -3.370 -8.302 -7.647
45 1HB PRO 8 1HB PRO 8 -1.253 -6.682 -7.209
46 2HB PRO 8 2HB PRO 8 -1.514 -7.503 -8.752
47 1HG PRO 8 1HG PRO 8 -2.104 -4.672 -7.989
48 2HG PRO 8 2HG PRO 8 -1.406 -5.304 -9.490
49 1HD PRO 8 1HD PRO 8 -4.027 -4.586 -9.241
50 2HD PRO 8 2HD PRO 8 -3.461 -5.836 -10.367
51 H GLU 9 H GLU 9 -2.401 -8.268 -5.452
52 HA GLU 9 HA GLU 9 -4.170 -7.160 -3.579
53 1HB GLU 9 1HB GLU 9 -2.101 -9.056 -3.562
54 2HB GLU 9 2HB GLU 9 -1.631 -7.830 -2.393
55 1HG GLU 9 1HG GLU 9 -3.887 -8.073 -1.352
56 2HG GLU 9 2HG GLU 9 -4.165 -9.442 -2.428
57 H CYS 10 H CYS 10 -3.622 -5.751 -1.816
58 HA CYS 10 HA CYS 10 -2.193 -3.401 -2.766
59 1HB CYS 10 1HB CYS 10 -4.245 -2.749 -1.903
60 2HB CYS 10 2HB CYS 10 -4.191 -3.936 -0.603
61 H THR 11 H THR 11 -0.087 -3.266 -2.344
62 HA THR 11 HA THR 11 0.946 -3.205 0.253
63 HB THR 11 HB THR 11 0.545 -5.672 0.087
64 HG1 THR 11 HG1 THR 11 2.058 -5.356 1.529
65 1HG2 THR 11 1HG2 THR 11 1.232 -5.808 -2.354
66 2HG2 THR 11 2HG2 THR 11 2.893 -5.755 -1.765
67 3HG2 THR 11 3HG2 THR 11 1.826 -7.069 -1.274
68 H LEU 12 H LEU 12 3.484 -3.645 0.081
69 HA LEU 12 HA LEU 12 4.465 -1.588 -1.552
70 1HB LEU 12 1HB LEU 12 5.795 -3.748 0.026
71 2HB LEU 12 2HB LEU 12 6.695 -2.513 -0.838
72 HG LEU 12 HG LEU 12 5.726 -0.771 0.494
73 1HD1 LEU 12 1HD1 LEU 12 4.062 -2.944 1.753
74 2HD1 LEU 12 2HD1 LEU 12 4.169 -1.280 2.330
75 3HD1 LEU 12 3HD1 LEU 12 3.487 -1.619 0.740
76 1HD2 LEU 12 1HD2 LEU 12 7.014 -3.105 1.767
77 2HD2 LEU 12 2HD2 LEU 12 7.530 -1.423 1.700
78 3HD2 LEU 12 3HD2 LEU 12 6.295 -1.923 2.857
79 H GLN 13 H GLN 13 5.258 -1.486 -3.475
80 HA GLN 13 HA GLN 13 5.711 -3.996 -4.931
81 1HB GLN 13 1HB GLN 13 4.982 -1.330 -6.088
82 2HB GLN 13 2HB GLN 13 5.124 -2.855 -6.954
83 1HG GLN 13 1HG GLN 13 3.319 -3.480 -5.022
84 2HG GLN 13 2HG GLN 13 2.920 -1.796 -5.357
85 2HE2 GLN 13 2HE2 GLN 13 3.471 -4.915 -6.913
86 1HE2 GLN 13 1HE2 GLN 13 2.375 -4.661 -8.224
87 H GLU 14 H GLU 14 7.670 -3.486 -3.611
88 HA GLU 14 HA GLU 14 9.716 -2.198 -3.421
89 1HB GLU 14 1HB GLU 14 9.831 -4.704 -3.915
90 2HB GLU 14 2HB GLU 14 10.282 -4.226 -5.545
91 1HG GLU 14 1HG GLU 14 12.121 -2.842 -4.460
92 2HG GLU 14 2HG GLU 14 11.763 -3.735 -2.981
93 H ASN 15 H ASN 15 10.684 -0.536 -4.120
94 HA ASN 15 HA ASN 15 10.047 0.927 -6.345
95 1HB ASN 15 1HB ASN 15 11.420 1.522 -4.231
96 2HB ASN 15 2HB ASN 15 12.802 1.076 -5.223
97 2HD2 ASN 15 2HD2 ASN 15 11.730 3.639 -4.096
98 1HD2 ASN 15 1HD2 ASN 15 11.709 4.722 -5.431
99 HA PRO 16 HA PRO 16 12.279 -1.350 -9.485
100 1HB PRO 16 1HB PRO 16 11.222 -0.100 -11.612
101 2HB PRO 16 2HB PRO 16 10.279 -1.243 -10.648
102 1HG PRO 16 1HG PRO 16 10.202 1.732 -10.672
103 2HG PRO 16 2HG PRO 16 8.880 0.574 -10.447
104 1HD PRO 16 1HD PRO 16 10.205 1.963 -8.414
105 2HD PRO 16 2HD PRO 16 9.183 0.530 -8.196
106 H PHE 17 H PHE 17 13.146 1.295 -8.131
107 HA PHE 17 HA PHE 17 15.095 2.053 -10.198
108 1HB PHE 17 1HB PHE 17 13.472 3.844 -10.146
109 2HB PHE 17 2HB PHE 17 13.530 3.902 -8.386
110 HD1 PHE 17 HD1 PHE 17 15.536 4.766 -7.244
111 HD2 PHE 17 HD2 PHE 17 15.090 4.977 -11.471
112 HE1 PHE 17 HE1 PHE 17 17.315 6.462 -7.342
113 HE2 PHE 17 HE2 PHE 17 16.868 6.676 -11.577
114 HZ PHE 17 HZ PHE 17 17.983 7.420 -9.510
115 H PHE 18 H PHE 18 14.245 2.397 -6.774
116 HA PHE 18 HA PHE 18 16.966 2.746 -5.946
117 1HB PHE 18 1HB PHE 18 14.420 3.172 -4.825
118 2HB PHE 18 2HB PHE 18 15.203 1.974 -3.804
119 HD1 PHE 18 HD1 PHE 18 15.823 5.269 -5.402
120 HD2 PHE 18 HD2 PHE 18 16.632 2.664 -2.141
121 HE1 PHE 18 HE1 PHE 18 17.125 7.052 -4.309
122 HE2 PHE 18 HE2 PHE 18 17.936 4.440 -1.038
123 HZ PHE 18 HZ PHE 18 18.182 6.638 -2.121
124 H SER 19 H SER 19 15.107 0.077 -6.776
125 HA SER 19 HA SER 19 15.943 -1.835 -4.904
126 1HB SER 19 1HB SER 19 14.436 -2.976 -6.109
127 2HB SER 19 2HB SER 19 14.543 -1.817 -7.433
128 HG SER 19 HG SER 19 15.923 -3.079 -8.446
129 H GLN 20 H GLN 20 18.160 -1.363 -4.533
130 HA GLN 20 HA GLN 20 19.978 -2.202 -6.692
131 1HB GLN 20 1HB GLN 20 20.902 -0.733 -4.246
132 2HB GLN 20 2HB GLN 20 21.609 -0.762 -5.855
133 1HG GLN 20 1HG GLN 20 20.441 1.007 -6.514
134 2HG GLN 20 2HG GLN 20 18.942 0.374 -5.840
135 2HE2 GLN 20 2HE2 GLN 20 19.762 3.083 -5.790
136 1HE2 GLN 20 1HE2 GLN 20 19.961 3.544 -4.137
137 HA PRO 21 HA PRO 21 21.428 -5.723 -4.484
138 1HB PRO 21 1HB PRO 21 24.160 -5.405 -4.478
139 2HB PRO 21 2HB PRO 21 23.231 -5.971 -5.870
140 1HG PRO 21 1HG PRO 21 24.268 -3.229 -5.273
141 2HG PRO 21 2HG PRO 21 24.253 -4.112 -6.812
142 1HD PRO 21 1HD PRO 21 22.453 -2.197 -6.276
143 2HD PRO 21 2HD PRO 21 22.017 -3.647 -7.202
144 H GLY 22 H GLY 22 20.409 -4.166 -2.677
145 1HA GLY 22 1HA GLY 22 22.344 -3.276 -0.722
146 2HA GLY 22 2HA GLY 22 21.466 -4.729 -0.266
147 H ALA 23 H ALA 23 19.707 -2.572 -2.241
148 HA ALA 23 HA ALA 23 17.988 -1.930 0.009
149 1HB ALA 23 3HB ALA 23 19.014 0.056 0.289
150 2HB ALA 23 1HB ALA 23 19.747 0.018 -1.315
151 3HB ALA 23 2HB ALA 23 18.071 0.531 -1.123
152 HA PRO 24 HA PRO 24 15.233 -2.490 -3.433
153 1HB PRO 24 1HB PRO 24 13.800 -4.373 -2.195
154 2HB PRO 24 2HB PRO 24 15.433 -4.710 -2.777
155 1HG PRO 24 1HG PRO 24 14.467 -4.431 -0.014
156 2HG PRO 24 2HG PRO 24 15.957 -5.178 -0.612
157 1HD PRO 24 1HD PRO 24 15.528 -2.481 0.418
158 2HD PRO 24 2HD PRO 24 17.052 -3.340 0.104
159 H ILE 25 H ILE 25 14.732 -0.151 -2.534
160 HA ILE 25 HA ILE 25 12.853 0.525 -0.753
161 HB ILE 25 HB ILE 25 13.317 1.543 -3.536
162 1HG1 ILE 25 1HG1 ILE 25 15.179 1.653 -1.973
163 2HG1 ILE 25 2HG1 ILE 25 14.529 3.270 -2.260
164 1HG2 ILE 25 1HG2 ILE 25 11.604 2.583 -1.287
165 2HG2 ILE 25 2HG2 ILE 25 12.285 3.656 -2.505
166 3HG2 ILE 25 3HG2 ILE 25 11.157 2.389 -2.983
167 1HD1 ILE 25 1HD1 ILE 25 13.131 2.946 -0.213
168 2HD1 ILE 25 2HD1 ILE 25 14.087 1.504 0.113
169 3HD1 ILE 25 3HD1 ILE 25 14.869 3.081 0.063
170 H LEU 26 H LEU 26 10.606 1.559 -1.711
171 HA LEU 26 HA LEU 26 9.110 -0.556 -3.031
172 1HB LEU 26 1HB LEU 26 7.806 0.332 -0.659
173 2HB LEU 26 2HB LEU 26 8.255 -1.304 -1.133
174 HG LEU 26 HG LEU 26 10.439 0.441 -0.251
175 1HD1 LEU 26 1HD1 LEU 26 8.091 0.325 1.300
176 2HD1 LEU 26 2HD1 LEU 26 9.272 -0.717 2.097
177 3HD1 LEU 26 3HD1 LEU 26 9.668 0.963 1.749
178 1HD2 LEU 26 1HD2 LEU 26 9.779 -2.398 -0.376
179 2HD2 LEU 26 2HD2 LEU 26 11.352 -1.599 -0.359
180 3HD2 LEU 26 3HD2 LEU 26 10.518 -1.937 1.157
181 H GLN 27 H GLN 27 6.694 0.147 -2.121
182 HA GLN 27 HA GLN 27 5.836 2.748 -2.204
183 1HB GLN 27 1HB GLN 27 6.775 3.200 -4.298
184 2HB GLN 27 2HB GLN 27 6.316 1.631 -4.947
185 1HG GLN 27 1HG GLN 27 4.165 2.283 -5.383
186 2HG GLN 27 2HG GLN 27 4.164 3.509 -4.117
187 2HE2 GLN 27 2HE2 GLN 27 6.435 2.952 -6.768
188 1HE2 GLN 27 1HE2 GLN 27 6.221 4.496 -7.513
189 H CYS 28 H CYS 28 4.680 1.071 -0.773
190 HA CYS 28 HA CYS 28 2.972 -0.845 -1.208
191 1HB CYS 28 1HB CYS 28 3.004 0.624 0.849
192 2HB CYS 28 2HB CYS 28 1.871 1.683 0.016
193 H MET 29 H MET 29 2.143 -1.244 -3.221
194 HA MET 29 HA MET 29 0.007 0.563 -4.111
195 1HB MET 29 1HB MET 29 2.504 0.057 -5.471
196 2HB MET 29 2HB MET 29 1.146 -0.470 -6.455
197 1HG MET 29 1HG MET 29 0.938 2.195 -5.195
198 2HG MET 29 2HG MET 29 2.098 2.011 -6.509
199 1HE MET 29 1HE MET 29 1.466 0.632 -8.613
200 2HE MET 29 2HE MET 29 0.097 -0.410 -8.225
201 3HE MET 29 3HE MET 29 -0.065 0.838 -9.461
202 H GLY 30 H GLY 30 -1.721 -0.424 -5.146
203 1HA GLY 30 1HA GLY 30 -2.052 -3.224 -4.557
204 2HA GLY 30 2HA GLY 30 -1.943 -2.888 -6.277
205 H CYS 31 H CYS 31 -4.098 -3.561 -4.020
206 HA CYS 31 HA CYS 31 -6.079 -1.532 -4.588
207 1HB CYS 31 1HB CYS 31 -7.029 -4.241 -5.307
208 2HB CYS 31 2HB CYS 31 -7.428 -2.679 -6.017
209 H CYS 32 H CYS 32 -7.505 -1.361 -2.960
210 HA CYS 32 HA CYS 32 -7.130 -2.927 -0.614
211 1HB CYS 32 1HB CYS 32 -9.148 -0.805 -1.344
212 2HB CYS 32 2HB CYS 32 -9.095 -1.576 0.238
213 H PHE 33 H PHE 33 -7.802 -4.950 -0.489
214 HA PHE 33 HA PHE 33 -10.444 -5.704 -0.302
215 1HB PHE 33 1HB PHE 33 -11.019 -6.770 -2.339
216 2HB PHE 33 2HB PHE 33 -10.423 -5.178 -2.784
217 HD1 PHE 33 HD1 PHE 33 -7.483 -6.461 -2.024
218 HD2 PHE 33 HD2 PHE 33 -10.613 -7.224 -4.802
219 HE1 PHE 33 HE1 PHE 33 -5.866 -7.497 -3.557
220 HE2 PHE 33 HE2 PHE 33 -8.998 -8.262 -6.342
221 HZ PHE 33 HZ PHE 33 -6.621 -8.399 -5.720
222 H SER 34 H SER 34 -7.352 -6.236 0.179
223 HA SER 34 HA SER 34 -6.688 -8.845 -0.233
224 1HB SER 34 1HB SER 34 -4.941 -8.045 0.928
225 2HB SER 34 2HB SER 34 -5.929 -6.780 1.657
226 HG SER 34 HG SER 34 -5.325 -8.017 3.340
227 H ARG 35 H ARG 35 -7.543 -10.744 0.284
228 HA ARG 35 HA ARG 35 -8.864 -12.333 1.233
229 1HB ARG 35 1HB ARG 35 -8.385 -10.615 3.672
230 2HB ARG 35 2HB ARG 35 -9.171 -12.186 3.724
231 1HG ARG 35 1HG ARG 35 -6.318 -11.510 3.187
232 2HG ARG 35 2HG ARG 35 -7.002 -12.698 4.295
233 1HD ARG 35 1HD ARG 35 -7.860 -13.573 1.830
234 2HD ARG 35 2HD ARG 35 -6.238 -12.968 1.496
235 HE ARG 35 HE ARG 35 -5.355 -14.622 2.886
236 1HH1 ARG 35 1HH1 ARG 35 -8.838 -14.705 2.846
237 2HH1 ARG 35 2HH1 ARG 35 -8.938 -16.282 3.551
238 1HH2 ARG 35 1HH2 ARG 35 -5.475 -16.699 3.820
239 2HH2 ARG 35 2HH2 ARG 35 -7.025 -17.417 4.108
240 H ALA 36 H ALA 36 -11.020 -12.804 1.842
241 HA ALA 36 HA ALA 36 -13.264 -12.426 1.496
242 1HB ALA 36 1HB ALA 36 -12.672 -11.801 3.928
243 2HB ALA 36 3HB ALA 36 -14.243 -11.317 3.290
244 3HB ALA 36 2HB ALA 36 -12.934 -10.139 3.402
245 H TYR 37 H TYR 37 -13.553 -11.712 -0.589
246 HA TYR 37 HA TYR 37 -13.115 -8.930 -1.252
247 1HB TYR 37 1HB TYR 37 -14.207 -9.756 -3.479
248 2HB TYR 37 2HB TYR 37 -12.572 -10.259 -3.068
249 HD1 TYR 37 HD1 TYR 37 -16.115 -11.354 -3.046
250 HD2 TYR 37 HD2 TYR 37 -12.035 -12.538 -2.818
251 HE1 TYR 37 HE1 TYR 37 -16.793 -13.707 -3.270
252 HE2 TYR 37 HE2 TYR 37 -12.701 -14.895 -3.044
253 HH TYR 37 HH TYR 37 -15.758 -15.996 -2.583
254 HA PRO 38 HA PRO 38 -17.094 -7.560 0.192
255 1HB PRO 38 1HB PRO 38 -16.579 -5.542 -1.949
256 2HB PRO 38 2HB PRO 38 -17.080 -5.299 -0.272
257 1HG PRO 38 1HG PRO 38 -14.564 -4.847 -1.027
258 2HG PRO 38 2HG PRO 38 -14.933 -5.567 0.550
259 1HD PRO 38 1HD PRO 38 -13.843 -6.841 -1.905
260 2HD PRO 38 2HD PRO 38 -13.560 -7.244 -0.200
261 H THR 39 H THR 39 -19.119 -6.630 -1.047
262 HA THR 39 HA THR 39 -19.659 -8.511 -3.239
263 HB THR 39 HB THR 39 -22.088 -7.954 -2.675
264 HG1 THR 39 HG1 THR 39 -20.933 -6.195 -1.116
265 1HG2 THR 39 1HG2 THR 39 -20.275 -9.416 -0.809
266 2HG2 THR 39 2HG2 THR 39 -21.995 -9.248 -0.452
267 3HG2 THR 39 3HG2 THR 39 -21.475 -10.051 -1.934
268 HA PRO 40 HA PRO 40 -18.972 -4.481 -5.464
269 1HB PRO 40 1HB PRO 40 -19.338 -6.488 -7.627
270 2HB PRO 40 2HB PRO 40 -18.129 -5.214 -7.466
271 1HG PRO 40 1HG PRO 40 -17.651 -7.864 -6.962
272 2HG PRO 40 2HG PRO 40 -16.722 -6.531 -6.262
273 1HD PRO 40 1HD PRO 40 -18.555 -8.371 -4.959
274 2HD PRO 40 2HD PRO 40 -17.449 -7.196 -4.230
275 H LEU 41 H LEU 41 -20.974 -6.860 -7.180
276 HA LEU 41 HA LEU 41 -22.947 -6.447 -8.328
277 1HB LEU 41 1HB LEU 41 -24.276 -5.680 -5.832
278 2HB LEU 41 2HB LEU 41 -24.598 -7.022 -6.912
279 HG LEU 41 HG LEU 41 -22.233 -7.081 -5.068
280 1HD1 LEU 41 1HD1 LEU 41 -25.084 -7.797 -4.414
281 2HD1 LEU 41 2HD1 LEU 41 -23.690 -8.351 -3.486
282 3HD1 LEU 41 3HD1 LEU 41 -24.051 -6.628 -3.590
283 1HD2 LEU 41 1HD2 LEU 41 -23.028 -8.742 -7.071
284 2HD2 LEU 41 2HD2 LEU 41 -22.034 -9.224 -5.696
285 3HD2 LEU 41 3HD2 LEU 41 -23.776 -9.498 -5.665
286 H ARG 42 H ARG 42 -21.615 -4.249 -8.867
287 HA ARG 42 HA ARG 42 -21.950 -2.116 -9.615
288 1HB ARG 42 1HB ARG 42 -24.414 -3.000 -9.706
289 2HB ARG 42 2HB ARG 42 -24.635 -1.988 -8.286
290 1HG ARG 42 1HG ARG 42 -24.789 -0.162 -9.528
291 2HG ARG 42 2HG ARG 42 -23.276 -0.530 -10.361
292 1HD ARG 42 1HD ARG 42 -24.424 -1.936 -11.938
293 2HD ARG 42 2HD ARG 42 -25.934 -1.777 -11.042
294 HE ARG 42 HE ARG 42 -24.719 0.644 -12.138
295 1HH1 ARG 42 1HH1 ARG 42 -27.210 -1.788 -12.306
296 2HH1 ARG 42 2HH1 ARG 42 -28.240 -0.846 -13.331
297 1HH2 ARG 42 1HH2 ARG 42 -26.070 1.887 -13.497
298 2HH2 ARG 42 2HH2 ARG 42 -27.593 1.239 -14.008
299 H SER 43 H SER 43 -21.037 -0.367 -8.748
300 HA SER 43 HA SER 43 -20.692 1.362 -7.246
301 1HB SER 43 1HB SER 43 -23.025 0.693 -6.322
302 2HB SER 43 2HB SER 43 -22.114 -0.164 -5.079
303 HG SER 43 HG SER 43 -22.699 2.048 -4.559
304 H LYS 44 H LYS 44 -18.848 1.673 -6.107
305 HA LYS 44 HA LYS 44 -17.448 -0.741 -5.200
306 1HB LYS 44 1HB LYS 44 -16.310 2.004 -5.746
307 2HB LYS 44 2HB LYS 44 -15.398 0.536 -5.421
308 1HG LYS 44 1HG LYS 44 -15.695 -0.284 -7.514
309 2HG LYS 44 2HG LYS 44 -17.270 0.489 -7.714
310 1HD LYS 44 1HD LYS 44 -15.547 1.470 -9.179
311 2HD LYS 44 2HD LYS 44 -16.206 2.642 -8.038
312 1HE LYS 44 1HE LYS 44 -14.277 2.669 -6.753
313 2HE LYS 44 2HE LYS 44 -13.733 1.105 -7.359
314 1HZ LYS 44 1HZ LYS 44 -13.784 2.601 -9.595
315 2HZ LYS 44 2HZ LYS 44 -13.315 3.746 -8.442
316 3HZ LYS 44 3HZ LYS 44 -12.406 2.335 -8.650
317 H LYS 45 H LYS 45 -19.350 0.045 -3.440
318 HA LYS 45 HA LYS 45 -18.733 1.931 -1.519
319 1HB LYS 45 1HB LYS 45 -19.858 0.070 0.038
320 2HB LYS 45 2HB LYS 45 -20.787 1.040 -1.098
321 1HG LYS 45 1HG LYS 45 -21.267 -0.718 -2.404
322 2HG LYS 45 2HG LYS 45 -19.659 -1.420 -2.226
323 1HD LYS 45 1HD LYS 45 -21.043 -1.536 0.279
324 2HD LYS 45 2HD LYS 45 -22.049 -2.237 -0.989
325 1HE LYS 45 1HE LYS 45 -20.852 -4.095 -0.559
326 2HE LYS 45 2HE LYS 45 -19.660 -3.327 -1.606
327 1HZ LYS 45 1HZ LYS 45 -19.290 -2.343 0.979
328 2HZ LYS 45 2HZ LYS 45 -19.407 -4.026 1.096
329 3HZ LYS 45 3HZ LYS 45 -18.251 -3.328 0.079
330 H THR 46 H THR 46 -17.713 1.788 0.543
331 HA THR 46 HA THR 46 -15.159 0.767 0.576
332 HB THR 46 HB THR 46 -16.293 0.775 3.248
333 HG1 THR 46 HG1 THR 46 -17.083 2.861 3.226
334 1HG2 THR 46 1HG2 THR 46 -14.025 1.848 1.870
335 2HG2 THR 46 2HG2 THR 46 -14.804 3.100 2.838
336 3HG2 THR 46 3HG2 THR 46 -14.277 1.598 3.597
337 H MET 47 H MET 47 -14.169 -1.018 1.606
338 HA MET 47 HA MET 47 -15.468 -3.480 1.222
339 1HB MET 47 1HB MET 47 -13.443 -4.280 2.710
340 2HB MET 47 2HB MET 47 -13.193 -3.705 1.067
341 1HG MET 47 1HG MET 47 -13.102 -1.561 3.021
342 2HG MET 47 2HG MET 47 -11.902 -2.815 3.327
343 1HE MET 47 1HE MET 47 -11.288 0.180 2.739
344 2HE MET 47 2HE MET 47 -9.901 -0.902 2.861
345 3HE MET 47 3HE MET 47 -10.046 0.194 1.487
346 H LEU 48 H LEU 48 -13.998 -2.758 4.353
347 HA LEU 48 HA LEU 48 -15.792 -4.332 5.803
348 1HB LEU 48 1HB LEU 48 -14.851 -2.293 7.538
349 2HB LEU 48 2HB LEU 48 -14.340 -3.964 7.437
350 HG LEU 48 HG LEU 48 -13.011 -2.602 5.347
351 1HD1 LEU 48 1HD1 LEU 48 -13.107 -1.066 7.920
352 2HD1 LEU 48 2HD1 LEU 48 -11.723 -0.975 6.831
353 3HD1 LEU 48 3HD1 LEU 48 -13.319 -0.476 6.271
354 1HD2 LEU 48 1HD2 LEU 48 -12.377 -4.555 6.940
355 2HD2 LEU 48 2HD2 LEU 48 -11.117 -3.485 6.325
356 3HD2 LEU 48 3HD2 LEU 48 -11.736 -3.269 7.962
357 H VAL 49 H VAL 49 -16.935 -3.178 7.848
358 HA VAL 49 HA VAL 49 -19.008 -1.522 6.634
359 HB VAL 49 HB VAL 49 -19.963 -3.311 7.812
360 1HG1 VAL 49 1HG1 VAL 49 -17.814 -2.779 9.790
361 2HG1 VAL 49 2HG1 VAL 49 -19.321 -3.489 10.370
362 3HG1 VAL 49 3HG1 VAL 49 -18.385 -4.307 9.119
363 1HG2 VAL 49 1HG2 VAL 49 -20.768 -0.897 8.372
364 2HG2 VAL 49 2HG2 VAL 49 -21.389 -2.265 9.297
365 3HG2 VAL 49 3HG2 VAL 49 -20.114 -1.251 9.972
366 H GLN 50 H GLN 50 -19.295 0.562 7.054
367 HA GLN 50 HA GLN 50 -18.750 1.904 9.427
368 1HB GLN 50 1HB GLN 50 -16.731 3.252 8.240
369 2HB GLN 50 2HB GLN 50 -16.487 1.917 9.357
370 1HG GLN 50 1HG GLN 50 -15.479 0.723 7.795
371 2HG GLN 50 2HG GLN 50 -16.855 0.897 6.708
372 2HE2 GLN 50 2HE2 GLN 50 -16.714 2.244 5.010
373 1HE2 GLN 50 1HE2 GLN 50 -15.329 3.208 4.636
374 H LYS 51 H LYS 51 -20.835 1.963 7.725
375 HA LYS 51 HA LYS 51 -22.033 3.208 6.176
376 1HB LYS 51 1HB LYS 51 -22.031 5.693 7.218
377 2HB LYS 51 2HB LYS 51 -22.934 4.353 7.907
378 1HG LYS 51 1HG LYS 51 -20.602 4.004 9.176
379 2HG LYS 51 2HG LYS 51 -20.538 5.747 8.913
380 1HD LYS 51 1HD LYS 51 -22.471 4.135 10.522
381 2HD LYS 51 2HD LYS 51 -21.609 5.613 10.955
382 1HE LYS 51 1HE LYS 51 -23.500 6.701 10.500
383 2HE LYS 51 2HE LYS 51 -23.166 6.368 8.801
384 1HZ LYS 51 1HZ LYS 51 -24.392 4.135 10.056
385 2HZ LYS 51 2HZ LYS 51 -25.344 5.521 10.251
386 3HZ LYS 51 3HZ LYS 51 -24.898 5.009 8.701
387 H ASN 52 H ASN 52 -20.982 3.280 4.232
388 HA ASN 52 HA ASN 52 -18.721 4.385 3.371
389 1HB ASN 52 1HB ASN 52 -19.901 5.026 1.242
390 2HB ASN 52 2HB ASN 52 -20.213 3.380 1.787
391 2HD2 ASN 52 2HD2 ASN 52 -22.244 2.826 2.523
392 1HD2 ASN 52 1HD2 ASN 52 -23.624 3.842 2.301
393 H VAL 53 H VAL 53 -17.755 6.319 3.173
394 HA VAL 53 HA VAL 53 -19.354 8.755 3.501
395 HB VAL 53 HB VAL 53 -18.417 8.141 5.720
396 1HG1 VAL 53 1HG1 VAL 53 -16.083 7.654 4.176
397 2HG1 VAL 53 2HG1 VAL 53 -15.722 8.929 5.340
398 3HG1 VAL 53 3HG1 VAL 53 -16.344 7.376 5.898
399 1HG2 VAL 53 1HG2 VAL 53 -17.306 10.647 4.460
400 2HG2 VAL 53 2HG2 VAL 53 -18.884 10.464 5.224
401 3HG2 VAL 53 3HG2 VAL 53 -17.416 10.346 6.194
402 H THR 54 H THR 54 -18.317 10.681 2.728
403 HA THR 54 HA THR 54 -17.262 11.815 1.049
404 HB THR 54 HB THR 54 -14.755 10.295 1.415
405 HG1 THR 54 HG1 THR 54 -14.634 10.487 3.501
406 1HG2 THR 54 1HG2 THR 54 -15.330 12.797 0.546
407 2HG2 THR 54 2HG2 THR 54 -14.889 13.096 2.228
408 3HG2 THR 54 3HG2 THR 54 -13.760 12.271 1.153
409 H SER 55 H SER 55 -18.729 9.789 -0.004
410 HA SER 55 HA SER 55 -18.969 8.360 -1.767
411 1HB SER 55 1HB SER 55 -17.168 10.545 -2.709
412 2HB SER 55 2HB SER 55 -17.441 9.169 -3.778
413 HG SER 55 HG SER 55 -19.609 10.479 -2.551
414 H GLU 56 H GLU 56 -15.682 8.915 -2.783
415 HA GLU 56 HA GLU 56 -15.151 6.067 -2.511
416 1HB GLU 56 1HB GLU 56 -14.105 8.274 -4.160
417 2HB GLU 56 2HB GLU 56 -12.911 7.082 -3.671
418 1HG GLU 56 1HG GLU 56 -14.366 6.857 -5.888
419 2HG GLU 56 2HG GLU 56 -13.783 5.467 -4.975
420 H SER 57 H SER 57 -12.542 8.362 -2.397
421 HA SER 57 HA SER 57 -11.051 8.937 -0.757
422 1HB SER 57 1HB SER 57 -11.706 8.991 1.445
423 2HB SER 57 2HB SER 57 -13.289 8.815 0.687
424 HG SER 57 HG SER 57 -12.231 7.235 2.464
425 H THR 58 H THR 58 -10.489 7.141 1.552
426 HA THR 58 HA THR 58 -9.086 5.417 2.038
427 HB THR 58 HB THR 58 -9.484 3.427 0.211
428 HG1 THR 58 HG1 THR 58 -11.367 3.618 -0.736
429 1HG2 THR 58 1HG2 THR 58 -9.889 3.437 2.723
430 2HG2 THR 58 2HG2 THR 58 -11.533 3.943 2.334
431 3HG2 THR 58 3HG2 THR 58 -10.918 2.402 1.734
432 H CYS 59 H CYS 59 -7.357 3.918 1.043
433 HA CYS 59 HA CYS 59 -6.181 3.987 -1.341
434 1HB CYS 59 1HB CYS 59 -6.107 6.678 -0.234
435 2HB CYS 59 2HB CYS 59 -4.498 6.080 -0.619
436 H CYS 60 H CYS 60 -4.378 2.789 -1.277
437 HA CYS 60 HA CYS 60 -3.407 1.887 1.253
438 1HB CYS 60 1HB CYS 60 -2.479 1.361 -1.576
439 2HB CYS 60 2HB CYS 60 -1.792 0.573 -0.159
440 H VAL 61 H VAL 61 -2.869 4.268 1.798
441 HA VAL 61 HA VAL 61 -0.290 5.113 0.738
442 HB VAL 61 HB VAL 61 -0.818 6.981 2.608
443 1HG1 VAL 61 1HG1 VAL 61 -0.347 7.330 0.222
444 2HG1 VAL 61 2HG1 VAL 61 -2.019 6.916 -0.158
445 3HG1 VAL 61 3HG1 VAL 61 -1.662 8.355 0.796
446 1HG2 VAL 61 1HG2 VAL 61 -2.915 5.858 3.277
447 2HG2 VAL 61 2HG2 VAL 61 -3.183 7.484 2.651
448 3HG2 VAL 61 3HG2 VAL 61 -3.530 6.082 1.639
449 H ALA 62 H ALA 62 0.723 3.201 1.683
450 HA ALA 62 HA ALA 62 1.471 1.967 3.595
451 1HB ALA 62 1HB ALA 62 3.359 4.257 3.686
452 2HB ALA 62 3HB ALA 62 3.682 2.525 3.591
453 3HB ALA 62 2HB ALA 62 3.141 3.403 2.159
454 H LYS 63 H LYS 63 0.802 1.731 5.613
455 HA LYS 63 HA LYS 63 -0.204 3.707 7.302
456 1HB LYS 63 1HB LYS 63 -0.451 1.203 7.562
457 2HB LYS 63 2HB LYS 63 1.196 1.172 8.173
458 1HG LYS 63 1HG LYS 63 0.160 3.039 9.793
459 2HG LYS 63 2HG LYS 63 -1.289 2.083 9.472
460 1HD LYS 63 1HD LYS 63 1.325 1.139 10.637
461 2HD LYS 63 2HD LYS 63 -0.254 1.183 11.423
462 1HE LYS 63 1HE LYS 63 0.518 -0.544 9.076
463 2HE LYS 63 2HE LYS 63 0.319 -1.085 10.742
464 1HZ LYS 63 1HZ LYS 63 -1.938 0.300 9.521
465 2HZ LYS 63 2HZ LYS 63 -1.603 -1.259 8.953
466 3HZ LYS 63 3HZ LYS 63 -1.922 -1.010 10.594
467 H SER 64 H SER 64 2.987 2.400 6.836
468 HA SER 64 HA SER 64 4.140 4.663 8.284
469 1HB SER 64 1HB SER 64 4.649 1.749 8.755
470 2HB SER 64 2HB SER 64 5.999 2.874 8.904
471 HG SER 64 HG SER 64 5.243 3.252 10.818
472 H TYR 65 H TYR 65 6.522 4.906 7.661
473 HA TYR 65 HA TYR 65 7.153 3.735 5.075
474 1HB TYR 65 1HB TYR 65 7.696 6.171 4.292
475 2HB TYR 65 2HB TYR 65 6.066 5.524 4.140
476 HD1 TYR 65 HD1 TYR 65 4.497 5.997 6.189
477 HD2 TYR 65 HD2 TYR 65 7.986 8.241 5.258
478 HE1 TYR 65 HE1 TYR 65 3.618 7.887 7.499
479 HE2 TYR 65 HE2 TYR 65 7.121 10.141 6.566
480 HH TYR 65 HH TYR 65 4.476 9.873 8.674
481 H ASN 66 H ASN 66 9.268 4.216 4.304
482 HA ASN 66 HA ASN 66 11.075 5.306 6.369
483 1HB ASN 66 1HB ASN 66 11.031 2.594 5.509
484 2HB ASN 66 2HB ASN 66 12.486 3.335 4.850
485 2HD2 ASN 66 2HD2 ASN 66 14.187 3.584 6.126
486 1HD2 ASN 66 1HD2 ASN 66 14.202 3.333 7.834
487 H ARG 67 H ARG 67 9.762 6.289 4.150
488 HA ARG 67 HA ARG 67 10.351 6.835 1.810
489 1HB ARG 67 1HB ARG 67 9.753 8.549 3.823
490 2HB ARG 67 2HB ARG 67 11.266 9.226 3.239
491 1HG ARG 67 1HG ARG 67 9.626 8.586 1.004
492 2HG ARG 67 2HG ARG 67 8.681 9.523 2.164
493 1HD ARG 67 1HD ARG 67 11.244 10.272 0.794
494 2HD ARG 67 2HD ARG 67 9.698 11.122 0.777
495 HE ARG 67 HE ARG 67 10.650 11.001 3.415
496 1HH1 ARG 67 1HH1 ARG 67 11.387 12.510 0.370
497 2HH1 ARG 67 2HH1 ARG 67 12.095 13.918 1.088
498 1HH2 ARG 67 1HH2 ARG 67 11.571 12.854 4.379
499 2HH2 ARG 67 2HH2 ARG 67 12.199 14.114 3.371
500 H VAL 68 H VAL 68 11.815 6.946 0.351
501 HA VAL 68 HA VAL 68 14.553 7.664 1.002
502 HB VAL 68 HB VAL 68 15.481 5.654 0.738
503 1HG1 VAL 68 1HG1 VAL 68 13.320 5.211 2.056
504 2HG1 VAL 68 2HG1 VAL 68 12.769 4.385 0.603
505 3HG1 VAL 68 3HG1 VAL 68 14.216 3.827 1.444
506 1HG2 VAL 68 1HG2 VAL 68 14.930 5.841 -1.778
507 2HG2 VAL 68 2HG2 VAL 68 15.305 4.264 -1.114
508 3HG2 VAL 68 3HG2 VAL 68 13.629 4.706 -1.423
509 H THR 69 H THR 69 12.824 9.209 -0.276
510 HA THR 69 HA THR 69 12.086 9.515 -2.666
511 HB THR 69 HB THR 69 14.283 11.205 -1.492
512 HG1 THR 69 HG1 THR 69 11.674 11.022 -1.107
513 1HG2 THR 69 1HG2 THR 69 13.417 11.257 -4.199
514 2HG2 THR 69 2HG2 THR 69 12.821 12.700 -3.379
515 3HG2 THR 69 3HG2 THR 69 14.546 12.330 -3.370
516 H VAL 70 H VAL 70 12.478 8.787 -4.610
517 HA VAL 70 HA VAL 70 15.264 8.182 -5.352
518 HB VAL 70 HB VAL 70 14.586 6.332 -6.630
519 1HG1 VAL 70 1HG1 VAL 70 14.379 6.318 -3.970
520 2HG1 VAL 70 2HG1 VAL 70 12.709 5.911 -4.363
521 3HG1 VAL 70 3HG1 VAL 70 14.025 4.893 -4.946
522 1HG2 VAL 70 1HG2 VAL 70 12.466 7.543 -7.436
523 2HG2 VAL 70 2HG2 VAL 70 12.423 5.788 -7.290
524 3HG2 VAL 70 3HG2 VAL 70 11.682 6.795 -6.046
525 H MET 71 H MET 71 14.999 7.569 -7.899
526 HA MET 71 HA MET 71 15.513 8.865 -9.760
527 1HB MET 71 1HB MET 71 13.419 8.973 -11.109
528 2HB MET 71 2HB MET 71 13.752 7.412 -10.377
529 1HG MET 71 1HG MET 71 11.920 7.473 -9.093
530 2HG MET 71 2HG MET 71 12.065 9.204 -8.777
531 1HE MET 71 1HE MET 71 12.236 7.208 -11.825
532 2HE MET 71 2HE MET 71 10.553 6.980 -12.302
533 3HE MET 71 3HE MET 71 11.488 8.314 -12.976
534 H GLY 72 H GLY 72 12.739 10.475 -10.297
535 1HA GLY 72 1HA GLY 72 12.287 12.703 -10.595
536 2HA GLY 72 2HA GLY 72 13.967 13.027 -10.207
537 H GLY 73 H GLY 73 13.781 11.747 -7.574
538 1HA GLY 73 1HA GLY 73 12.615 14.027 -6.171
539 2HA GLY 73 2HA GLY 73 13.673 12.805 -5.475
540 H PHE 74 H PHE 74 11.955 10.730 -6.827
541 HA PHE 74 HA PHE 74 9.342 10.690 -6.076
542 1HB PHE 74 1HB PHE 74 11.427 8.657 -6.496
543 2HB PHE 74 2HB PHE 74 10.071 8.118 -5.513
544 HD1 PHE 74 HD1 PHE 74 8.961 10.643 -7.684
545 HD2 PHE 74 HD2 PHE 74 10.019 6.522 -7.599
546 HE1 PHE 74 HE1 PHE 74 7.643 10.270 -9.721
547 HE2 PHE 74 HE2 PHE 74 8.705 6.141 -9.642
548 HZ PHE 74 HZ PHE 74 7.509 8.015 -10.705
549 H LYS 75 H LYS 75 8.563 8.978 -4.326
550 HA LYS 75 HA LYS 75 9.912 9.233 -1.788
551 1HB LYS 75 1HB LYS 75 7.081 10.214 -1.821
552 2HB LYS 75 2HB LYS 75 8.352 10.524 -0.648
553 1HG LYS 75 1HG LYS 75 8.170 12.560 -1.678
554 2HG LYS 75 2HG LYS 75 9.469 11.816 -2.611
555 1HD LYS 75 1HD LYS 75 8.068 11.373 -4.430
556 2HD LYS 75 2HD LYS 75 6.604 11.578 -3.467
557 1HE LYS 75 1HE LYS 75 8.303 13.589 -4.795
558 2HE LYS 75 2HE LYS 75 6.566 13.595 -4.491
559 1HZ LYS 75 1HZ LYS 75 7.071 14.095 -2.142
560 2HZ LYS 75 2HZ LYS 75 8.710 14.225 -2.537
561 3HZ LYS 75 3HZ LYS 75 7.591 15.308 -3.201
562 H VAL 76 H VAL 76 9.945 6.960 -2.101
563 HA VAL 76 HA VAL 76 7.513 5.455 -2.215
564 HB VAL 76 HB VAL 76 9.037 3.447 -1.836
565 1HG1 VAL 76 1HG1 VAL 76 8.724 4.826 -4.107
566 2HG1 VAL 76 2HG1 VAL 76 10.430 5.193 -3.849
567 3HG1 VAL 76 3HG1 VAL 76 9.898 3.517 -3.983
568 1HG2 VAL 76 1HG2 VAL 76 10.593 5.580 -0.751
569 2HG2 VAL 76 2HG2 VAL 76 10.936 3.854 -0.746
570 3HG2 VAL 76 3HG2 VAL 76 11.507 4.866 -2.074
571 H GLU 77 H GLU 77 8.433 7.312 -0.004
572 HA GLU 77 HA GLU 77 8.727 7.184 2.350
573 1HB GLU 77 1HB GLU 77 6.093 5.966 2.598
574 2HB GLU 77 2HB GLU 77 6.606 7.588 3.036
575 1HG GLU 77 1HG GLU 77 6.097 6.865 0.181
576 2HG GLU 77 2HG GLU 77 4.764 7.273 1.259
577 H ASN 78 H ASN 78 10.013 5.100 1.227
578 HA ASN 78 HA ASN 78 10.012 2.698 1.129
579 1HB ASN 78 1HB ASN 78 12.018 3.496 2.333
580 2HB ASN 78 2HB ASN 78 11.096 3.486 3.833
581 H HIS 79 H HIS 79 7.615 2.785 1.314
582 HA HIS 79 HA HIS 79 6.148 2.671 3.492
583 1HB HIS 79 1HB HIS 79 5.861 0.853 1.099
584 2HB HIS 79 2HB HIS 79 4.591 1.122 2.303
585 HD1 HIS 79 HD1 HIS 79 3.494 2.176 -0.152
586 HD2 HIS 79 HD2 HIS 79 6.355 4.275 1.946
587 HE1 HIS 79 HE1 HIS 79 3.318 4.558 -0.950
588 H THR 80 H THR 80 6.479 1.884 5.311
589 HA THR 80 HA THR 80 7.639 -0.797 5.573
590 HB THR 80 HB THR 80 8.515 -0.127 7.648
591 HG1 THR 80 HG1 THR 80 7.761 2.088 8.418
592 1HG2 THR 80 1HG2 THR 80 9.574 1.063 5.730
593 2HG2 THR 80 2HG2 THR 80 8.532 2.442 6.074
594 3HG2 THR 80 3HG2 THR 80 9.712 1.910 7.270
595 H ALA 81 H ALA 81 4.700 0.709 5.618
596 HA ALA 81 HA ALA 81 3.380 -1.555 6.753
597 1HB ALA 81 2HB ALA 81 3.996 -0.229 8.780
598 2HB ALA 81 1HB ALA 81 2.260 -0.445 8.566
599 3HB ALA 81 3HB ALA 81 3.014 1.093 8.153
600 H CYS 82 H CYS 82 1.216 -1.643 6.031
601 HA CYS 82 HA CYS 82 0.419 0.609 4.302
602 1HB CYS 82 1HB CYS 82 0.053 -2.353 3.851
603 2HB CYS 82 2HB CYS 82 -0.764 -1.117 2.899
604 H HIS 83 H HIS 83 -1.866 0.914 3.979
605 HA HIS 83 HA HIS 83 -3.921 -0.390 5.293
606 1HB HIS 83 1HB HIS 83 -4.313 0.763 7.295
607 2HB HIS 83 2HB HIS 83 -2.573 0.493 7.306
608 HD1 HIS 83 HD1 HIS 83 -4.545 2.921 8.510
609 HD2 HIS 83 HD2 HIS 83 -1.600 3.076 5.586
610 HE1 HIS 83 HE1 HIS 83 -3.806 5.323 8.427
611 HE2 HIS 83 HE2 HIS 83 -1.927 5.362 6.751
612 H CYS 84 H CYS 84 -5.563 0.161 4.040
613 HA CYS 84 HA CYS 84 -5.623 2.235 2.226
614 1HB CYS 84 1HB CYS 84 -8.069 1.032 3.530
615 2HB CYS 84 2HB CYS 84 -7.976 1.788 1.944
616 H SER 85 H SER 85 -6.072 4.337 2.267
617 HA SER 85 HA SER 85 -7.794 5.598 4.117
618 1HB SER 85 1HB SER 85 -5.654 7.036 4.961
619 2HB SER 85 2HB SER 85 -6.328 5.674 5.857
620 HG SER 85 HG SER 85 -4.771 4.339 4.876
621 H THR 86 H THR 86 -8.218 7.738 3.547
622 HA THR 86 HA THR 86 -8.249 8.591 1.054
623 HB THR 86 HB THR 86 -8.842 9.849 3.296
624 HG1 THR 86 HG1 THR 86 -8.964 11.817 1.981
625 1HG2 THR 86 1HG2 THR 86 -6.141 10.399 3.262
626 2HG2 THR 86 2HG2 THR 86 -6.880 11.861 2.612
627 3HG2 THR 86 3HG2 THR 86 -7.376 11.250 4.190
628 H CYS 87 H CYS 87 -6.980 9.558 -0.495
629 HA CYS 87 HA CYS 87 -4.104 9.227 -0.107
630 1HB CYS 87 1HB CYS 87 -4.815 10.064 -2.770
631 2HB CYS 87 2HB CYS 87 -4.065 8.562 -2.240
632 H TYR 88 H TYR 88 -2.721 10.870 0.052
633 HA TYR 88 HA TYR 88 -3.147 13.359 0.798
634 1HB TYR 88 1HB TYR 88 -1.007 12.066 -0.608
635 2HB TYR 88 2HB TYR 88 -1.176 13.710 -1.207
636 HD1 TYR 88 HD1 TYR 88 -2.133 12.999 2.235
637 HD2 TYR 88 HD2 TYR 88 1.048 14.251 -0.300
638 HE1 TYR 88 HE1 TYR 88 -0.905 13.834 4.196
639 HE2 TYR 88 HE2 TYR 88 2.283 15.088 1.653
640 HH TYR 88 HH TYR 88 1.491 15.935 4.108
641 H TYR 89 H TYR 89 -4.512 14.878 0.180
642 HA TYR 89 HA TYR 89 -6.195 15.340 -1.656
643 1HB TYR 89 1HB TYR 89 -4.115 17.214 -0.683
644 2HB TYR 89 2HB TYR 89 -5.057 17.740 -2.075
645 HD1 TYR 89 HD1 TYR 89 -6.141 15.711 0.857
646 HD2 TYR 89 HD2 TYR 89 -6.451 19.402 -1.235
647 HE1 TYR 89 HE1 TYR 89 -7.972 16.397 2.353
648 HE2 TYR 89 HE2 TYR 89 -8.280 20.100 0.254
649 HH TYR 89 HH TYR 89 -9.989 18.055 2.154
650 H HIS 90 H HIS 90 -3.007 16.546 -2.660
651 HA HIS 90 HA HIS 90 -2.302 15.147 -4.785
652 1HB HIS 90 1HB HIS 90 -4.898 16.383 -5.377
653 2HB HIS 90 2HB HIS 90 -3.671 16.690 -6.601
654 HD1 HIS 90 HD1 HIS 90 -4.369 15.138 -8.427
655 HD2 HIS 90 HD2 HIS 90 -4.213 13.254 -4.726
656 HE1 HIS 90 HE1 HIS 90 -4.729 12.693 -8.900
657 HE2 HIS 90 HE2 HIS 90 -4.690 11.581 -6.640
658 H LYS 91 H LYS 91 -0.649 16.100 -5.893
659 HA LYS 91 HA LYS 91 0.612 18.316 -4.907
660 1HB LYS 91 1HB LYS 91 0.705 17.152 -7.691
661 2HB LYS 91 2HB LYS 91 1.804 18.407 -7.136
662 1HG LYS 91 1HG LYS 91 2.466 16.831 -5.276
663 2HG LYS 91 2HG LYS 91 1.566 15.584 -6.139
664 1HD LYS 91 1HD LYS 91 3.593 17.181 -7.630
665 2HD LYS 91 2HD LYS 91 4.152 15.918 -6.529
666 1HE LYS 91 1HE LYS 91 3.956 14.911 -8.664
667 2HE LYS 91 2HE LYS 91 2.576 14.351 -7.720
668 1HZ LYS 91 1HZ LYS 91 2.343 16.712 -9.471
669 2HZ LYS 91 2HZ LYS 91 2.186 15.152 -10.107
670 3HZ LYS 91 3HZ LYS 91 1.125 15.686 -8.903
671 H SER 92 H SER 92 1.128 20.373 -6.193
672 HA SER 92 HA SER 92 -1.148 21.971 -6.330
673 1HB SER 92 1HB SER 92 0.576 23.415 -6.172
674 2HB SER 92 2HB SER 92 1.703 22.279 -6.913
675 HG SER 92 HG SER 92 1.086 24.357 -8.060
No H/Q in entry = 675
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 -3.343 -9.654 -27.855
2 H2 ALA 1 H2 ALA 1 -4.512 -8.435 -28.146
3 H3 ALA 1 H3 ALA 1 -2.841 -8.052 -28.212
4 HA ALA 1 HA ALA 1 -2.570 -8.149 -25.991
5 1HB ALA 1 3HB ALA 1 -4.762 -7.034 -25.065
6 2HB ALA 1 2HB ALA 1 -5.190 -6.976 -26.776
7 3HB ALA 1 1HB ALA 1 -3.722 -6.181 -26.207
8 HA PRO 2 HA PRO 2 -4.316 -11.859 -24.235
9 1HB PRO 2 1HB PRO 2 -2.666 -11.425 -21.912
10 2HB PRO 2 2HB PRO 2 -2.455 -12.609 -23.202
11 1HG PRO 2 1HG PRO 2 -0.780 -10.473 -22.766
12 2HG PRO 2 2HG PRO 2 -0.963 -11.302 -24.321
13 1HD PRO 2 1HD PRO 2 -2.142 -8.717 -23.395
14 2HD PRO 2 2HD PRO 2 -1.542 -9.178 -25.003
15 H ASP 3 H ASP 3 -4.376 -12.142 -21.419
16 HA ASP 3 HA ASP 3 -6.857 -10.933 -20.830
17 1HB ASP 3 1HB ASP 3 -5.249 -12.958 -19.719
18 2HB ASP 3 2HB ASP 3 -5.473 -11.768 -18.441
19 H VAL 4 H VAL 4 -7.135 -8.837 -20.468
20 HA VAL 4 HA VAL 4 -5.004 -7.250 -19.275
21 HB VAL 4 HB VAL 4 -6.310 -5.309 -19.855
22 1HG1 VAL 4 1HG1 VAL 4 -6.234 -7.383 -22.040
23 2HG1 VAL 4 2HG1 VAL 4 -6.553 -5.672 -22.318
24 3HG1 VAL 4 3HG1 VAL 4 -5.001 -6.182 -21.653
25 1HG2 VAL 4 1HG2 VAL 4 -8.493 -7.225 -19.864
26 2HG2 VAL 4 2HG2 VAL 4 -8.530 -5.471 -19.691
27 3HG2 VAL 4 3HG2 VAL 4 -8.497 -6.198 -21.298
28 H GLN 5 H GLN 5 -5.694 -5.561 -17.640
29 HA GLN 5 HA GLN 5 -7.855 -6.380 -15.877
30 1HB GLN 5 1HB GLN 5 -5.310 -7.324 -15.375
31 2HB GLN 5 2HB GLN 5 -5.406 -5.894 -14.357
32 1HG GLN 5 1HG GLN 5 -7.623 -6.847 -13.530
33 2HG GLN 5 2HG GLN 5 -7.116 -8.352 -14.294
34 2HE2 GLN 5 2HE2 GLN 5 -7.211 -9.245 -12.153
35 1HE2 GLN 5 1HE2 GLN 5 -5.878 -9.034 -11.074
36 H ASP 6 H ASP 6 -7.758 -4.823 -13.839
37 HA ASP 6 HA ASP 6 -7.045 -2.128 -14.776
38 1HB ASP 6 1HB ASP 6 -9.180 -1.402 -13.496
39 2HB ASP 6 2HB ASP 6 -9.353 -2.089 -15.108
40 H CYS 7 H CYS 7 -7.610 -0.582 -12.728
41 HA CYS 7 HA CYS 7 -5.649 -0.464 -11.009
42 1HB CYS 7 1HB CYS 7 -8.410 0.313 -10.855
43 2HB CYS 7 2HB CYS 7 -7.847 -0.166 -9.259
44 HA PRO 8 HA PRO 8 -5.792 -4.547 -9.064
45 1HB PRO 8 1HB PRO 8 -3.173 -4.671 -8.471
46 2HB PRO 8 2HB PRO 8 -3.772 -4.957 -10.110
47 1HG PRO 8 1HG PRO 8 -2.506 -2.509 -8.952
48 2HG PRO 8 2HG PRO 8 -2.272 -3.244 -10.548
49 1HD PRO 8 1HD PRO 8 -3.891 -1.072 -10.065
50 2HD PRO 8 2HD PRO 8 -4.096 -2.185 -11.430
51 H GLU 9 H GLU 9 -5.951 -5.122 -6.929
52 HA GLU 9 HA GLU 9 -6.542 -3.448 -4.936
53 1HB GLU 9 1HB GLU 9 -5.938 -6.151 -5.076
54 2HB GLU 9 2HB GLU 9 -4.798 -5.540 -3.885
55 1HG GLU 9 1HG GLU 9 -6.418 -5.050 -2.376
56 2HG GLU 9 2HG GLU 9 -7.622 -4.701 -3.616
57 H CYS 10 H CYS 10 -5.591 -1.704 -4.149
58 HA CYS 10 HA CYS 10 -3.013 -0.863 -4.586
59 1HB CYS 10 1HB CYS 10 -4.565 0.733 -3.785
60 2HB CYS 10 2HB CYS 10 -4.944 -0.234 -2.362
61 H THR 11 H THR 11 -1.054 -1.132 -3.654
62 HA THR 11 HA THR 11 -0.724 -2.285 -1.055
63 HB THR 11 HB THR 11 -0.224 -4.429 -1.516
64 HG1 THR 11 HG1 THR 11 0.995 -4.924 -3.539
65 1HG2 THR 11 1HG2 THR 11 -1.258 -3.814 -4.259
66 2HG2 THR 11 2HG2 THR 11 -1.083 -5.416 -3.543
67 3HG2 THR 11 3HG2 THR 11 -2.233 -4.264 -2.860
68 H LEU 12 H LEU 12 1.883 -3.411 -2.262
69 HA LEU 12 HA LEU 12 3.299 -0.828 -2.294
70 1HB LEU 12 1HB LEU 12 3.812 -3.328 -0.926
71 2HB LEU 12 2HB LEU 12 5.194 -2.761 -1.842
72 HG LEU 12 HG LEU 12 4.384 -0.478 -0.503
73 1HD1 LEU 12 1HD1 LEU 12 3.122 -2.579 0.816
74 2HD1 LEU 12 2HD1 LEU 12 4.569 -2.258 1.772
75 3HD1 LEU 12 3HD1 LEU 12 3.422 -0.960 1.445
76 1HD2 LEU 12 1HD2 LEU 12 6.617 -2.015 -0.841
77 2HD2 LEU 12 2HD2 LEU 12 6.509 -0.548 0.127
78 3HD2 LEU 12 3HD2 LEU 12 6.345 -2.125 0.898
79 H GLN 13 H GLN 13 4.411 -0.294 -4.070
80 HA GLN 13 HA GLN 13 4.626 -2.342 -6.139
81 1HB GLN 13 1HB GLN 13 4.893 0.621 -6.406
82 2HB GLN 13 2HB GLN 13 4.818 -0.554 -7.716
83 1HG GLN 13 1HG GLN 13 2.569 -0.983 -6.087
84 2HG GLN 13 2HG GLN 13 2.687 0.752 -6.357
85 2HE2 GLN 13 2HE2 GLN 13 1.164 -1.822 -7.435
86 1HE2 GLN 13 1HE2 GLN 13 1.019 -1.459 -9.117
87 H GLU 14 H GLU 14 6.324 -2.643 -4.247
88 HA GLU 14 HA GLU 14 8.617 -1.861 -3.640
89 1HB GLU 14 1HB GLU 14 8.327 -4.234 -3.668
90 2HB GLU 14 2HB GLU 14 8.444 -4.270 -5.423
91 1HG GLU 14 1HG GLU 14 10.790 -3.269 -5.061
92 2HG GLU 14 2HG GLU 14 10.597 -3.826 -3.401
93 H ASN 15 H ASN 15 10.010 -0.520 -4.283
94 HA ASN 15 HA ASN 15 10.124 0.692 -6.737
95 1HB ASN 15 1HB ASN 15 11.359 1.018 -4.304
96 2HB ASN 15 2HB ASN 15 12.690 0.752 -5.422
97 2HD2 ASN 15 2HD2 ASN 15 9.688 2.565 -5.102
98 1HD2 ASN 15 1HD2 ASN 15 10.268 4.005 -5.862
99 HA PRO 16 HA PRO 16 12.311 -2.675 -8.843
100 1HB PRO 16 1HB PRO 16 11.285 -1.492 -11.283
101 2HB PRO 16 2HB PRO 16 10.894 -3.063 -10.581
102 1HG PRO 16 1HG PRO 16 9.116 -0.994 -10.729
103 2HG PRO 16 2HG PRO 16 9.048 -2.262 -9.492
104 1HD PRO 16 1HD PRO 16 10.123 0.526 -9.296
105 2HD PRO 16 2HD PRO 16 9.178 -0.402 -8.112
106 H PHE 17 H PHE 17 12.645 0.446 -8.392
107 HA PHE 17 HA PHE 17 14.705 0.979 -10.389
108 1HB PHE 17 1HB PHE 17 12.786 2.594 -9.876
109 2HB PHE 17 2HB PHE 17 13.576 2.876 -8.328
110 HD1 PHE 17 HD1 PHE 17 16.200 2.253 -10.380
111 HD2 PHE 17 HD2 PHE 17 13.209 5.203 -9.731
112 HE1 PHE 17 HE1 PHE 17 17.647 3.944 -11.442
113 HE2 PHE 17 HE2 PHE 17 14.646 6.904 -10.790
114 HZ PHE 17 HZ PHE 17 16.869 6.272 -11.645
115 H PHE 18 H PHE 18 14.132 1.326 -6.903
116 HA PHE 18 HA PHE 18 16.973 1.521 -6.366
117 1HB PHE 18 1HB PHE 18 14.839 1.345 -4.263
118 2HB PHE 18 2HB PHE 18 16.377 2.202 -4.210
119 HD1 PHE 18 HD1 PHE 18 15.746 3.246 -7.180
120 HD2 PHE 18 HD2 PHE 18 13.794 3.437 -3.412
121 HE1 PHE 18 HE1 PHE 18 14.626 5.323 -7.875
122 HE2 PHE 18 HE2 PHE 18 12.666 5.514 -4.098
123 HZ PHE 18 HZ PHE 18 13.079 6.459 -6.333
124 H SER 19 H SER 19 14.510 -0.867 -6.389
125 HA SER 19 HA SER 19 15.092 -2.706 -4.533
126 1HB SER 19 1HB SER 19 13.413 -3.185 -6.173
127 2HB SER 19 2HB SER 19 14.601 -3.179 -7.476
128 HG SER 19 HG SER 19 13.927 -5.173 -5.717
129 H GLN 20 H GLN 20 17.016 -3.197 -3.736
130 HA GLN 20 HA GLN 20 19.189 -3.861 -5.613
131 1HB GLN 20 1HB GLN 20 20.472 -3.463 -3.249
132 2HB GLN 20 2HB GLN 20 20.256 -2.226 -4.479
133 1HG GLN 20 1HG GLN 20 18.037 -1.738 -3.225
134 2HG GLN 20 2HG GLN 20 18.816 -2.595 -1.895
135 2HE2 GLN 20 2HE2 GLN 20 20.471 -1.638 -0.797
136 1HE2 GLN 20 1HE2 GLN 20 20.967 -0.003 -1.051
137 HA PRO 21 HA PRO 21 19.640 -7.928 -3.999
138 1HB PRO 21 1HB PRO 21 22.440 -7.469 -3.195
139 2HB PRO 21 2HB PRO 21 21.790 -8.564 -4.419
140 1HG PRO 21 1HG PRO 21 23.143 -6.358 -5.104
141 2HG PRO 21 2HG PRO 21 21.761 -6.933 -6.058
142 1HD PRO 21 1HD PRO 21 21.880 -4.715 -4.040
143 2HD PRO 21 2HD PRO 21 21.068 -4.756 -5.621
144 H GLY 22 H GLY 22 18.264 -6.950 -2.153
145 1HA GLY 22 1HA GLY 22 19.766 -6.973 0.378
146 2HA GLY 22 2HA GLY 22 18.375 -8.028 0.172
147 H ALA 23 H ALA 23 17.866 -5.214 -1.525
148 HA ALA 23 HA ALA 23 15.972 -4.297 0.465
149 1HB ALA 23 3HB ALA 23 17.381 -2.769 1.307
150 2HB ALA 23 1HB ALA 23 18.520 -2.960 -0.026
151 3HB ALA 23 2HB ALA 23 17.126 -1.896 -0.203
152 HA PRO 24 HA PRO 24 14.094 -3.502 -3.481
153 1HB PRO 24 1HB PRO 24 11.908 -4.925 -2.921
154 2HB PRO 24 2HB PRO 24 13.448 -5.718 -3.256
155 1HG PRO 24 1HG PRO 24 11.994 -5.473 -0.711
156 2HG PRO 24 2HG PRO 24 13.262 -6.619 -1.175
157 1HD PRO 24 1HD PRO 24 13.490 -4.128 0.302
158 2HD PRO 24 2HD PRO 24 14.704 -5.400 0.048
159 H ILE 25 H ILE 25 14.017 -1.229 -2.672
160 HA ILE 25 HA ILE 25 12.286 -0.067 -1.014
161 HB ILE 25 HB ILE 25 13.121 0.831 -3.763
162 1HG1 ILE 25 1HG1 ILE 25 14.970 0.496 -2.317
163 2HG1 ILE 25 2HG1 ILE 25 14.628 2.227 -2.245
164 1HG2 ILE 25 1HG2 ILE 25 11.594 2.168 -1.547
165 2HG2 ILE 25 2HG2 ILE 25 12.627 3.115 -2.609
166 3HG2 ILE 25 3HG2 ILE 25 11.271 2.216 -3.279
167 1HD1 ILE 25 1HD1 ILE 25 13.125 1.588 -0.244
168 2HD1 ILE 25 2HD1 ILE 25 14.088 0.112 -0.220
169 3HD1 ILE 25 3HD1 ILE 25 14.873 1.677 -0.024
170 H LEU 26 H LEU 26 10.400 1.481 -1.957
171 HA LEU 26 HA LEU 26 8.481 -0.100 -3.481
172 1HB LEU 26 1HB LEU 26 7.479 0.957 -0.975
173 2HB LEU 26 2HB LEU 26 7.208 -0.606 -1.735
174 HG LEU 26 HG LEU 26 9.863 -0.055 -0.635
175 1HD1 LEU 26 1HD1 LEU 26 7.661 0.407 0.960
176 2HD1 LEU 26 2HD1 LEU 26 8.197 -1.209 1.405
177 3HD1 LEU 26 3HD1 LEU 26 9.317 0.149 1.491
178 1HD2 LEU 26 1HD2 LEU 26 8.956 -2.183 -1.825
179 2HD2 LEU 26 2HD2 LEU 26 10.037 -2.334 -0.441
180 3HD2 LEU 26 3HD2 LEU 26 8.300 -2.552 -0.231
181 H GLN 27 H GLN 27 6.291 1.071 -2.668
182 HA GLN 27 HA GLN 27 5.928 3.717 -2.425
183 1HB GLN 27 1HB GLN 27 7.414 4.281 -4.192
184 2HB GLN 27 2HB GLN 27 6.720 3.072 -5.264
185 1HG GLN 27 1HG GLN 27 4.983 4.397 -5.864
186 2HG GLN 27 2HG GLN 27 4.911 5.207 -4.300
187 2HE2 GLN 27 2HE2 GLN 27 6.457 6.865 -3.855
188 1HE2 GLN 27 1HE2 GLN 27 7.174 7.758 -5.150
189 H CYS 28 H CYS 28 4.310 1.944 -1.675
190 HA CYS 28 HA CYS 28 2.485 0.544 -2.856
191 1HB CYS 28 1HB CYS 28 1.693 2.828 -1.037
192 2HB CYS 28 2HB CYS 28 0.672 1.452 -1.428
193 H MET 29 H MET 29 1.397 0.596 -4.705
194 HA MET 29 HA MET 29 -0.031 3.020 -5.449
195 1HB MET 29 1HB MET 29 2.480 2.437 -6.602
196 2HB MET 29 2HB MET 29 1.270 2.082 -7.829
197 1HG MET 29 1HG MET 29 1.287 4.663 -6.304
198 2HG MET 29 2HG MET 29 2.234 4.430 -7.772
199 1HE MET 29 1HE MET 29 1.694 5.639 -9.306
200 2HE MET 29 2HE MET 29 0.445 5.156 -10.454
201 3HE MET 29 3HE MET 29 0.190 6.553 -9.408
202 H GLY 30 H GLY 30 -1.945 2.576 -6.305
203 1HA GLY 30 1HA GLY 30 -2.809 -0.125 -6.587
204 2HA GLY 30 2HA GLY 30 -2.600 0.637 -8.157
205 H CYS 31 H CYS 31 -4.743 0.064 -5.674
206 HA CYS 31 HA CYS 31 -6.287 2.469 -5.827
207 1HB CYS 31 1HB CYS 31 -6.829 0.267 -7.692
208 2HB CYS 31 2HB CYS 31 -8.238 0.777 -6.767
209 H CYS 32 H CYS 32 -8.142 2.421 -4.435
210 HA CYS 32 HA CYS 32 -8.046 0.192 -2.512
211 1HB CYS 32 1HB CYS 32 -7.306 2.107 -1.365
212 2HB CYS 32 2HB CYS 32 -8.521 3.136 -2.116
213 H PHE 33 H PHE 33 -9.605 -0.945 -3.806
214 HA PHE 33 HA PHE 33 -12.339 0.113 -3.510
215 1HB PHE 33 1HB PHE 33 -12.988 -1.060 -5.492
216 2HB PHE 33 2HB PHE 33 -11.518 -0.169 -5.876
217 HD1 PHE 33 HD1 PHE 33 -12.805 -3.523 -4.977
218 HD2 PHE 33 HD2 PHE 33 -9.617 -1.269 -6.670
219 HE1 PHE 33 HE1 PHE 33 -11.743 -5.607 -5.743
220 HE2 PHE 33 HE2 PHE 33 -8.550 -3.348 -7.439
221 HZ PHE 33 HZ PHE 33 -9.612 -5.521 -6.975
222 H SER 34 H SER 34 -10.178 -2.120 -2.371
223 HA SER 34 HA SER 34 -12.232 -4.127 -1.765
224 1HB SER 34 1HB SER 34 -9.213 -4.222 -1.658
225 2HB SER 34 2HB SER 34 -10.236 -5.500 -1.004
226 HG SER 34 HG SER 34 -9.973 -4.652 -3.686
227 H ARG 35 H ARG 35 -11.087 -5.228 0.528
228 HA ARG 35 HA ARG 35 -10.441 -3.375 2.534
229 1HB ARG 35 1HB ARG 35 -12.568 -3.290 3.771
230 2HB ARG 35 2HB ARG 35 -12.693 -2.517 2.197
231 1HG ARG 35 1HG ARG 35 -14.433 -3.790 1.724
232 2HG ARG 35 2HG ARG 35 -13.414 -5.225 1.855
233 1HD ARG 35 1HD ARG 35 -13.833 -5.269 4.281
234 2HD ARG 35 2HD ARG 35 -14.900 -3.877 4.106
235 HE ARG 35 HE ARG 35 -15.562 -6.585 3.608
236 1HH1 ARG 35 1HH1 ARG 35 -16.116 -3.356 2.430
237 2HH1 ARG 35 2HH1 ARG 35 -17.664 -3.730 1.748
238 1HH2 ARG 35 1HH2 ARG 35 -17.597 -7.091 2.714
239 2HH2 ARG 35 2HH2 ARG 35 -18.508 -5.855 1.911
240 H ALA 36 H ALA 36 -9.483 -5.865 1.863
241 HA ALA 36 HA ALA 36 -10.372 -8.148 2.968
242 1HB ALA 36 1HB ALA 36 -7.967 -7.351 2.032
243 2HB ALA 36 3HB ALA 36 -7.592 -7.572 3.741
244 3HB ALA 36 2HB ALA 36 -8.259 -8.910 2.804
245 H TYR 37 H TYR 37 -11.703 -7.893 4.751
246 HA TYR 37 HA TYR 37 -10.629 -6.680 7.165
247 1HB TYR 37 1HB TYR 37 -13.196 -6.922 6.086
248 2HB TYR 37 2HB TYR 37 -13.201 -7.983 7.491
249 HD1 TYR 37 HD1 TYR 37 -11.016 -6.103 8.880
250 HD2 TYR 37 HD2 TYR 37 -14.876 -5.501 7.194
251 HE1 TYR 37 HE1 TYR 37 -11.350 -4.161 10.351
252 HE2 TYR 37 HE2 TYR 37 -15.220 -3.557 8.657
253 HH TYR 37 HH TYR 37 -13.843 -1.921 9.899
254 HA PRO 38 HA PRO 38 -11.062 -11.107 8.775
255 1HB PRO 38 1HB PRO 38 -12.477 -12.953 7.485
256 2HB PRO 38 2HB PRO 38 -13.281 -11.640 8.354
257 1HG PRO 38 1HG PRO 38 -12.848 -11.988 5.427
258 2HG PRO 38 2HG PRO 38 -14.226 -11.277 6.283
259 1HD PRO 38 1HD PRO 38 -12.101 -9.878 5.082
260 2HD PRO 38 2HD PRO 38 -13.305 -9.209 6.198
261 H THR 39 H THR 39 -10.279 -13.399 8.420
262 HA THR 39 HA THR 39 -8.448 -13.524 6.115
263 HB THR 39 HB THR 39 -7.526 -13.144 8.557
264 HG1 THR 39 HG1 THR 39 -5.683 -13.793 7.741
265 1HG2 THR 39 1HG2 THR 39 -8.765 -15.224 9.375
266 2HG2 THR 39 2HG2 THR 39 -7.504 -16.132 8.544
267 3HG2 THR 39 3HG2 THR 39 -7.079 -15.020 9.845
268 HA PRO 40 HA PRO 40 -10.146 -17.527 5.387
269 1HB PRO 40 1HB PRO 40 -8.110 -18.804 4.161
270 2HB PRO 40 2HB PRO 40 -8.983 -17.466 3.410
271 1HG PRO 40 1HG PRO 40 -6.282 -17.518 4.625
272 2HG PRO 40 2HG PRO 40 -6.908 -16.512 3.310
273 1HD PRO 40 1HD PRO 40 -6.572 -15.752 5.999
274 2HD PRO 40 2HD PRO 40 -7.449 -14.852 4.749
275 H LEU 41 H LEU 41 -9.576 -17.433 8.025
276 HA LEU 41 HA LEU 41 -8.750 -20.167 8.555
277 1HB LEU 41 1HB LEU 41 -7.481 -17.823 9.975
278 2HB LEU 41 2HB LEU 41 -7.232 -19.514 10.368
279 HG LEU 41 HG LEU 41 -6.596 -18.664 7.592
280 1HD1 LEU 41 1HD1 LEU 41 -5.666 -17.040 9.529
281 2HD1 LEU 41 2HD1 LEU 41 -4.415 -18.283 9.531
282 3HD1 LEU 41 3HD1 LEU 41 -4.785 -17.408 8.045
283 1HD2 LEU 41 1HD2 LEU 41 -6.378 -20.997 8.811
284 2HD2 LEU 41 2HD2 LEU 41 -5.197 -20.465 7.616
285 3HD2 LEU 41 3HD2 LEU 41 -4.841 -20.307 9.335
286 H ARG 42 H ARG 42 -10.146 -21.065 9.907
287 HA ARG 42 HA ARG 42 -11.687 -21.358 11.557
288 1HB ARG 42 1HB ARG 42 -10.317 -20.204 13.118
289 2HB ARG 42 2HB ARG 42 -10.673 -18.644 12.389
290 1HG ARG 42 1HG ARG 42 -12.430 -18.357 13.706
291 2HG ARG 42 2HG ARG 42 -13.098 -19.925 13.248
292 1HD ARG 42 1HD ARG 42 -12.636 -20.665 15.290
293 2HD ARG 42 2HD ARG 42 -10.921 -20.466 14.933
294 HE ARG 42 HE ARG 42 -12.500 -18.857 16.667
295 1HH1 ARG 42 1HH1 ARG 42 -9.834 -18.748 14.428
296 2HH1 ARG 42 2HH1 ARG 42 -9.099 -17.365 15.169
297 1HH2 ARG 42 1HH2 ARG 42 -11.545 -17.038 17.649
298 2HH2 ARG 42 2HH2 ARG 42 -10.073 -16.394 17.003
299 H SER 43 H SER 43 -12.176 -17.866 11.341
300 HA SER 43 HA SER 43 -14.956 -18.263 10.702
301 1HB SER 43 1HB SER 43 -13.264 -16.040 11.595
302 2HB SER 43 2HB SER 43 -14.516 -15.560 10.449
303 HG SER 43 HG SER 43 -16.031 -16.630 11.835
304 H LYS 44 H LYS 44 -13.419 -19.332 8.679
305 HA LYS 44 HA LYS 44 -12.887 -17.620 6.526
306 1HB LYS 44 1HB LYS 44 -13.550 -19.956 5.283
307 2HB LYS 44 2HB LYS 44 -11.972 -19.602 5.971
308 1HG LYS 44 1HG LYS 44 -12.283 -20.984 7.758
309 2HG LYS 44 2HG LYS 44 -14.037 -20.786 7.746
310 1HD LYS 44 1HD LYS 44 -13.785 -22.019 5.412
311 2HD LYS 44 2HD LYS 44 -12.319 -22.635 6.178
312 1HE LYS 44 1HE LYS 44 -15.135 -22.856 7.233
313 2HE LYS 44 2HE LYS 44 -14.161 -24.162 6.558
314 1HZ LYS 44 1HZ LYS 44 -12.539 -23.656 8.409
315 2HZ LYS 44 2HZ LYS 44 -13.760 -22.718 9.110
316 3HZ LYS 44 3HZ LYS 44 -13.999 -24.375 8.871
317 H LYS 45 H LYS 45 -14.519 -16.155 6.179
318 HA LYS 45 HA LYS 45 -16.657 -16.982 4.502
319 1HB LYS 45 1HB LYS 45 -17.233 -17.248 7.191
320 2HB LYS 45 2HB LYS 45 -17.893 -15.665 6.803
321 1HG LYS 45 1HG LYS 45 -18.702 -17.337 4.716
322 2HG LYS 45 2HG LYS 45 -18.923 -18.276 6.194
323 1HD LYS 45 1HD LYS 45 -20.178 -15.678 5.392
324 2HD LYS 45 2HD LYS 45 -20.946 -17.150 5.989
325 1HE LYS 45 1HE LYS 45 -21.055 -16.049 7.940
326 2HE LYS 45 2HE LYS 45 -19.352 -16.478 8.090
327 1HZ LYS 45 1HZ LYS 45 -19.645 -14.122 6.548
328 2HZ LYS 45 2HZ LYS 45 -20.439 -13.939 8.030
329 3HZ LYS 45 3HZ LYS 45 -18.798 -14.350 7.995
330 H THR 46 H THR 46 -17.767 -15.214 3.557
331 HA THR 46 HA THR 46 -16.917 -12.534 4.340
332 HB THR 46 HB THR 46 -16.248 -11.947 2.068
333 HG1 THR 46 HG1 THR 46 -16.095 -13.581 0.496
334 1HG2 THR 46 1HG2 THR 46 -14.809 -13.794 3.693
335 2HG2 THR 46 2HG2 THR 46 -14.515 -14.159 1.993
336 3HG2 THR 46 3HG2 THR 46 -14.193 -12.540 2.616
337 H MET 47 H MET 47 -19.122 -12.374 5.007
338 HA MET 47 HA MET 47 -20.968 -11.960 2.749
339 1HB MET 47 1HB MET 47 -21.252 -13.866 4.734
340 2HB MET 47 2HB MET 47 -22.271 -12.546 5.294
341 1HG MET 47 1HG MET 47 -23.229 -12.579 2.898
342 2HG MET 47 2HG MET 47 -22.498 -14.180 2.802
343 1HE MET 47 1HE MET 47 -24.999 -11.908 3.824
344 2HE MET 47 2HE MET 47 -26.292 -13.067 3.514
345 3HE MET 47 3HE MET 47 -25.921 -12.581 5.168
346 H LEU 48 H LEU 48 -19.192 -10.369 4.896
347 HA LEU 48 HA LEU 48 -21.159 -8.551 5.967
348 1HB LEU 48 1HB LEU 48 -19.081 -9.140 7.178
349 2HB LEU 48 2HB LEU 48 -18.149 -8.342 5.928
350 HG LEU 48 HG LEU 48 -19.283 -7.226 8.288
351 1HD1 LEU 48 1HD1 LEU 48 -17.083 -6.857 6.869
352 2HD1 LEU 48 2HD1 LEU 48 -18.035 -5.536 6.193
353 3HD1 LEU 48 3HD1 LEU 48 -17.732 -5.605 7.929
354 1HD2 LEU 48 1HD2 LEU 48 -21.262 -6.862 6.737
355 2HD2 LEU 48 2HD2 LEU 48 -20.598 -5.430 7.523
356 3HD2 LEU 48 3HD2 LEU 48 -20.219 -5.763 5.833
357 H VAL 49 H VAL 49 -22.070 -8.003 3.850
358 HA VAL 49 HA VAL 49 -20.436 -6.295 2.149
359 HB VAL 49 HB VAL 49 -22.203 -6.354 0.565
360 1HG1 VAL 49 1HG1 VAL 49 -20.884 -8.548 1.233
361 2HG1 VAL 49 2HG1 VAL 49 -22.507 -9.107 1.642
362 3HG1 VAL 49 3HG1 VAL 49 -22.147 -8.566 0.002
363 1HG2 VAL 49 1HG2 VAL 49 -23.855 -6.918 2.933
364 2HG2 VAL 49 2HG2 VAL 49 -24.242 -6.023 1.464
365 3HG2 VAL 49 3HG2 VAL 49 -24.316 -7.785 1.468
366 H GLN 50 H GLN 50 -22.790 -4.751 1.277
367 HA GLN 50 HA GLN 50 -23.377 -2.555 1.629
368 1HB GLN 50 1HB GLN 50 -24.755 -2.527 3.936
369 2HB GLN 50 2HB GLN 50 -25.377 -3.233 2.451
370 1HG GLN 50 1HG GLN 50 -24.988 -5.406 3.170
371 2HG GLN 50 2HG GLN 50 -23.837 -4.894 4.403
372 2HE2 GLN 50 2HE2 GLN 50 -26.451 -6.461 4.369
373 1HE2 GLN 50 1HE2 GLN 50 -27.367 -5.752 5.651
374 H LYS 51 H LYS 51 -21.299 -1.648 1.887
375 HA LYS 51 HA LYS 51 -20.895 0.040 3.981
376 1HB LYS 51 1HB LYS 51 -20.655 -1.766 5.535
377 2HB LYS 51 2HB LYS 51 -19.531 -2.607 4.476
378 1HG LYS 51 1HG LYS 51 -17.769 -1.287 5.057
379 2HG LYS 51 2HG LYS 51 -18.788 0.110 5.405
380 1HD LYS 51 1HD LYS 51 -19.361 -0.684 7.520
381 2HD LYS 51 2HD LYS 51 -18.901 -2.341 7.128
382 1HE LYS 51 1HE LYS 51 -16.560 -1.718 7.108
383 2HE LYS 51 2HE LYS 51 -16.981 -0.029 7.387
384 1HZ LYS 51 1HZ LYS 51 -18.105 -0.938 9.495
385 2HZ LYS 51 2HZ LYS 51 -17.139 -2.306 9.252
386 3HZ LYS 51 3HZ LYS 51 -16.419 -0.792 9.479
387 H ASN 52 H ASN 52 -20.494 0.384 1.402
388 HA ASN 52 HA ASN 52 -17.844 1.306 1.203
389 1HB ASN 52 1HB ASN 52 -17.810 -1.343 0.811
390 2HB ASN 52 2HB ASN 52 -18.211 -0.836 -0.826
391 2HD2 ASN 52 2HD2 ASN 52 -15.953 -0.096 1.804
392 1HD2 ASN 52 1HD2 ASN 52 -14.589 0.190 0.782
393 H VAL 53 H VAL 53 -18.100 3.086 0.051
394 HA VAL 53 HA VAL 53 -19.928 3.025 -2.263
395 HB VAL 53 HB VAL 53 -20.739 4.401 -0.305
396 1HG1 VAL 53 1HG1 VAL 53 -18.149 5.729 -0.835
397 2HG1 VAL 53 2HG1 VAL 53 -19.521 6.776 -0.475
398 3HG1 VAL 53 3HG1 VAL 53 -19.037 5.531 0.676
399 1HG2 VAL 53 1HG2 VAL 53 -21.539 4.753 -2.594
400 2HG2 VAL 53 2HG2 VAL 53 -21.461 6.267 -1.694
401 3HG2 VAL 53 3HG2 VAL 53 -20.215 5.882 -2.881
402 H THR 54 H THR 54 -19.371 4.404 -4.042
403 HA THR 54 HA THR 54 -16.476 4.892 -4.208
404 HB THR 54 HB THR 54 -16.575 4.499 -6.526
405 HG1 THR 54 HG1 THR 54 -18.337 5.673 -7.143
406 1HG2 THR 54 1HG2 THR 54 -17.854 2.576 -4.824
407 2HG2 THR 54 2HG2 THR 54 -18.510 2.501 -6.460
408 3HG2 THR 54 3HG2 THR 54 -16.776 2.327 -6.198
409 H SER 55 H SER 55 -16.184 6.950 -3.574
410 HA SER 55 HA SER 55 -17.792 9.023 -4.913
411 1HB SER 55 1HB SER 55 -16.417 10.123 -2.678
412 2HB SER 55 2HB SER 55 -18.155 9.908 -2.887
413 HG SER 55 HG SER 55 -17.893 7.778 -2.058
414 H GLU 56 H GLU 56 -15.075 7.543 -5.413
415 HA GLU 56 HA GLU 56 -13.043 8.032 -6.312
416 1HB GLU 56 1HB GLU 56 -14.649 9.191 -7.898
417 2HB GLU 56 2HB GLU 56 -14.269 10.686 -7.056
418 1HG GLU 56 1HG GLU 56 -12.032 10.643 -7.773
419 2HG GLU 56 2HG GLU 56 -12.151 8.963 -8.296
420 H SER 57 H SER 57 -12.706 8.246 -3.790
421 HA SER 57 HA SER 57 -11.135 10.690 -3.414
422 1HB SER 57 1HB SER 57 -13.511 9.906 -1.890
423 2HB SER 57 2HB SER 57 -12.107 10.209 -0.871
424 HG SER 57 HG SER 57 -13.696 11.987 -1.982
425 H THR 58 H THR 58 -10.320 10.172 -0.798
426 HA THR 58 HA THR 58 -8.766 9.027 0.399
427 HB THR 58 HB THR 58 -8.876 6.385 -0.514
428 HG1 THR 58 HG1 THR 58 -10.683 6.300 -1.567
429 1HG2 THR 58 1HG2 THR 58 -9.640 7.858 1.824
430 2HG2 THR 58 2HG2 THR 58 -10.821 6.598 1.467
431 3HG2 THR 58 3HG2 THR 58 -9.120 6.180 1.670
432 H CYS 59 H CYS 59 -6.722 7.761 0.205
433 HA CYS 59 HA CYS 59 -5.617 7.323 -2.403
434 1HB CYS 59 1HB CYS 59 -3.955 9.043 -2.415
435 2HB CYS 59 2HB CYS 59 -5.506 9.827 -2.135
436 H CYS 60 H CYS 60 -3.797 6.057 -2.337
437 HA CYS 60 HA CYS 60 -3.193 4.838 0.208
438 1HB CYS 60 1HB CYS 60 -2.276 4.317 -2.617
439 2HB CYS 60 2HB CYS 60 -1.609 3.447 -1.241
440 H VAL 61 H VAL 61 -1.963 6.079 1.523
441 HA VAL 61 HA VAL 61 0.544 7.141 0.398
442 HB VAL 61 HB VAL 61 0.048 8.411 2.873
443 1HG1 VAL 61 1HG1 VAL 61 1.164 9.130 0.627
444 2HG1 VAL 61 2HG1 VAL 61 -0.449 9.735 0.244
445 3HG1 VAL 61 3HG1 VAL 61 0.405 10.339 1.664
446 1HG2 VAL 61 1HG2 VAL 61 -2.377 8.228 1.110
447 2HG2 VAL 61 2HG2 VAL 61 -2.256 7.980 2.852
448 3HG2 VAL 61 3HG2 VAL 61 -2.107 9.604 2.180
449 H ALA 62 H ALA 62 0.626 4.590 1.074
450 HA ALA 62 HA ALA 62 1.547 2.994 2.426
451 1HB ALA 62 2HB ALA 62 3.642 4.512 3.586
452 2HB ALA 62 3HB ALA 62 3.707 3.394 2.224
453 3HB ALA 62 1HB ALA 62 3.366 5.103 1.947
454 H LYS 63 H LYS 63 0.595 2.240 4.174
455 HA LYS 63 HA LYS 63 -0.401 3.691 6.338
456 1HB LYS 63 1HB LYS 63 -1.027 1.349 5.745
457 2HB LYS 63 2HB LYS 63 0.549 0.818 6.302
458 1HG LYS 63 1HG LYS 63 -0.026 1.738 8.557
459 2HG LYS 63 2HG LYS 63 -1.664 2.005 7.955
460 1HD LYS 63 1HD LYS 63 -0.275 -0.670 7.927
461 2HD LYS 63 2HD LYS 63 -1.351 -0.134 9.218
462 1HE LYS 63 1HE LYS 63 -3.219 -0.331 7.931
463 2HE LYS 63 2HE LYS 63 -2.360 0.042 6.436
464 1HZ LYS 63 1HZ LYS 63 -1.280 -2.323 7.209
465 2HZ LYS 63 2HZ LYS 63 -2.904 -2.504 7.646
466 3HZ LYS 63 3HZ LYS 63 -2.493 -2.133 6.046
467 H SER 64 H SER 64 2.684 2.194 5.708
468 HA SER 64 HA SER 64 3.932 3.752 7.822
469 1HB SER 64 1HB SER 64 3.944 0.736 7.709
470 2HB SER 64 2HB SER 64 5.243 1.633 8.495
471 HG SER 64 HG SER 64 3.686 2.555 9.870
472 H TYR 65 H TYR 65 5.935 4.449 7.183
473 HA TYR 65 HA TYR 65 6.924 3.315 4.650
474 1HB TYR 65 1HB TYR 65 8.000 5.636 4.388
475 2HB TYR 65 2HB TYR 65 6.271 5.481 4.098
476 HD1 TYR 65 HD1 TYR 65 4.849 5.811 6.415
477 HD2 TYR 65 HD2 TYR 65 8.652 7.504 5.535
478 HE1 TYR 65 HE1 TYR 65 4.433 7.589 8.061
479 HE2 TYR 65 HE2 TYR 65 8.247 9.285 7.182
480 HH TYR 65 HH TYR 65 5.775 10.329 8.197
481 H ASN 66 H ASN 66 9.125 3.356 4.209
482 HA ASN 66 HA ASN 66 10.854 3.738 6.576
483 1HB ASN 66 1HB ASN 66 10.347 1.227 5.390
484 2HB ASN 66 2HB ASN 66 11.957 1.699 4.870
485 2HD2 ASN 66 2HD2 ASN 66 13.609 1.608 6.263
486 1HD2 ASN 66 1HD2 ASN 66 13.475 1.101 7.910
487 H ARG 67 H ARG 67 10.053 5.246 4.376
488 HA ARG 67 HA ARG 67 11.068 5.927 2.215
489 1HB ARG 67 1HB ARG 67 12.014 8.137 3.090
490 2HB ARG 67 2HB ARG 67 10.335 7.758 3.461
491 1HG ARG 67 1HG ARG 67 10.714 7.791 5.614
492 2HG ARG 67 2HG ARG 67 12.087 6.695 5.452
493 1HD ARG 67 1HD ARG 67 12.351 9.593 4.737
494 2HD ARG 67 2HD ARG 67 12.482 9.071 6.418
495 HE ARG 67 HE ARG 67 14.413 8.686 4.331
496 1HH1 ARG 67 1HH1 ARG 67 13.217 7.475 7.371
497 2HH1 ARG 67 2HH1 ARG 67 14.699 6.679 7.783
498 1HH2 ARG 67 1HH2 ARG 67 16.366 7.640 4.863
499 2HH2 ARG 67 2HH2 ARG 67 16.489 6.774 6.358
500 H VAL 68 H VAL 68 12.740 5.720 1.003
501 HA VAL 68 HA VAL 68 15.411 5.482 2.194
502 HB VAL 68 HB VAL 68 16.004 3.665 0.829
503 1HG1 VAL 68 1HG1 VAL 68 13.957 3.367 2.576
504 2HG1 VAL 68 2HG1 VAL 68 13.235 2.711 1.108
505 3HG1 VAL 68 3HG1 VAL 68 14.740 2.033 1.729
506 1HG2 VAL 68 1HG2 VAL 68 14.299 4.849 -1.060
507 2HG2 VAL 68 2HG2 VAL 68 15.336 3.442 -1.286
508 3HG2 VAL 68 3HG2 VAL 68 13.658 3.236 -0.789
509 H THR 69 H THR 69 14.389 7.834 1.256
510 HA THR 69 HA THR 69 14.416 8.863 -1.088
511 HB THR 69 HB THR 69 16.509 9.795 0.871
512 HG1 THR 69 HG1 THR 69 14.928 10.872 1.842
513 1HG2 THR 69 1HG2 THR 69 15.201 11.115 -1.483
514 2HG2 THR 69 2HG2 THR 69 15.975 12.024 -0.185
515 3HG2 THR 69 3HG2 THR 69 16.922 10.902 -1.163
516 H VAL 70 H VAL 70 15.272 8.451 -2.967
517 HA VAL 70 HA VAL 70 18.141 7.823 -3.124
518 HB VAL 70 HB VAL 70 16.534 6.606 -5.236
519 1HG1 VAL 70 1HG1 VAL 70 19.033 6.343 -4.601
520 2HG1 VAL 70 2HG1 VAL 70 18.434 5.192 -3.408
521 3HG1 VAL 70 3HG1 VAL 70 18.124 4.926 -5.124
522 1HG2 VAL 70 1HG2 VAL 70 16.186 5.730 -2.384
523 2HG2 VAL 70 2HG2 VAL 70 14.933 6.152 -3.546
524 3HG2 VAL 70 3HG2 VAL 70 15.875 4.676 -3.755
525 H MET 71 H MET 71 18.402 7.563 -5.778
526 HA MET 71 HA MET 71 19.078 8.963 -7.459
527 1HB MET 71 1HB MET 71 16.324 9.963 -7.792
528 2HB MET 71 2HB MET 71 17.381 9.173 -8.953
529 1HG MET 71 1HG MET 71 15.695 7.903 -6.827
530 2HG MET 71 2HG MET 71 15.523 7.763 -8.575
531 1HE MET 71 1HE MET 71 18.676 7.872 -8.986
532 2HE MET 71 2HE MET 71 19.396 6.269 -8.839
533 3HE MET 71 3HE MET 71 18.084 6.545 -9.985
534 H GLY 72 H GLY 72 17.161 11.341 -8.071
535 1HA GLY 72 1HA GLY 72 17.509 13.613 -7.869
536 2HA GLY 72 2HA GLY 72 18.767 13.286 -6.687
537 H GLY 73 H GLY 73 16.977 11.620 -5.039
538 1HA GLY 73 1HA GLY 73 15.470 13.824 -3.799
539 2HA GLY 73 2HA GLY 73 16.127 12.442 -2.936
540 H PHE 74 H PHE 74 15.269 10.333 -4.460
541 HA PHE 74 HA PHE 74 12.398 10.617 -4.813
542 1HB PHE 74 1HB PHE 74 14.342 8.396 -5.404
543 2HB PHE 74 2HB PHE 74 12.599 8.161 -5.510
544 HD1 PHE 74 HD1 PHE 74 13.413 11.478 -6.346
545 HD2 PHE 74 HD2 PHE 74 13.406 7.519 -7.906
546 HE1 PHE 74 HE1 PHE 74 13.425 12.384 -8.634
547 HE2 PHE 74 HE2 PHE 74 13.418 8.416 -10.196
548 HZ PHE 74 HZ PHE 74 13.428 10.852 -10.562
549 H LYS 75 H LYS 75 11.130 10.409 -3.123
550 HA LYS 75 HA LYS 75 11.978 8.732 -0.884
551 1HB LYS 75 1HB LYS 75 9.783 10.798 -1.066
552 2HB LYS 75 2HB LYS 75 10.205 9.895 0.383
553 1HG LYS 75 1HG LYS 75 12.463 11.276 -0.852
554 2HG LYS 75 2HG LYS 75 11.180 12.345 -0.280
555 1HD LYS 75 1HD LYS 75 12.488 10.188 1.374
556 2HD LYS 75 2HD LYS 75 12.923 11.898 1.427
557 1HE LYS 75 1HE LYS 75 10.076 11.541 1.728
558 2HE LYS 75 2HE LYS 75 10.961 10.605 2.933
559 1HZ LYS 75 1HZ LYS 75 12.207 13.053 2.857
560 2HZ LYS 75 2HZ LYS 75 10.556 13.415 2.786
561 3HZ LYS 75 3HZ LYS 75 11.165 12.487 4.063
562 H VAL 76 H VAL 76 11.361 6.703 -1.054
563 HA VAL 76 HA VAL 76 8.740 6.004 -2.136
564 HB VAL 76 HB VAL 76 9.624 3.576 -1.864
565 1HG1 VAL 76 1HG1 VAL 76 10.957 5.671 -3.622
566 2HG1 VAL 76 2HG1 VAL 76 11.401 3.970 -3.728
567 3HG1 VAL 76 3HG1 VAL 76 9.745 4.472 -4.063
568 1HG2 VAL 76 1HG2 VAL 76 11.527 5.088 -0.371
569 2HG2 VAL 76 2HG2 VAL 76 11.502 3.354 -0.652
570 3HG2 VAL 76 3HG2 VAL 76 12.391 4.411 -1.747
571 H GLU 77 H GLU 77 9.576 7.162 0.489
572 HA GLU 77 HA GLU 77 9.406 6.603 2.778
573 1HB GLU 77 1HB GLU 77 6.610 5.953 2.585
574 2HB GLU 77 2HB GLU 77 7.344 7.438 3.172
575 1HG GLU 77 1HG GLU 77 6.974 6.917 0.246
576 2HG GLU 77 2HG GLU 77 5.683 7.590 1.241
577 H ASN 78 H ASN 78 10.416 4.505 1.401
578 HA ASN 78 HA ASN 78 10.053 2.193 0.904
579 1HB ASN 78 1HB ASN 78 11.901 2.361 2.473
580 2HB ASN 78 2HB ASN 78 10.777 2.522 3.813
581 H HIS 79 H HIS 79 7.671 2.678 0.737
582 HA HIS 79 HA HIS 79 5.901 2.568 2.717
583 1HB HIS 79 1HB HIS 79 5.602 1.320 -0.007
584 2HB HIS 79 2HB HIS 79 4.264 1.544 1.126
585 HD1 HIS 79 HD1 HIS 79 3.384 3.260 -0.887
586 HD2 HIS 79 HD2 HIS 79 6.667 4.354 1.385
587 HE1 HIS 79 HE1 HIS 79 3.671 5.749 -1.239
588 H THR 80 H THR 80 6.441 1.462 4.385
589 HA THR 80 HA THR 80 6.881 -1.382 4.297
590 HB THR 80 HB THR 80 7.433 -1.196 6.568
591 HG1 THR 80 HG1 THR 80 5.424 0.627 6.586
592 1HG2 THR 80 1HG2 THR 80 8.935 0.136 5.120
593 2HG2 THR 80 2HG2 THR 80 7.983 1.568 5.498
594 3HG2 THR 80 3HG2 THR 80 8.862 0.729 6.775
595 H ALA 81 H ALA 81 4.195 0.442 4.028
596 HA ALA 81 HA ALA 81 2.391 -1.668 4.298
597 1HB ALA 81 1HB ALA 81 2.796 -1.348 6.709
598 2HB ALA 81 3HB ALA 81 2.269 0.329 6.561
599 3HB ALA 81 2HB ALA 81 1.130 -0.984 6.261
600 H CYS 82 H CYS 82 0.339 -1.048 3.464
601 HA CYS 82 HA CYS 82 0.264 1.736 2.501
602 1HB CYS 82 1HB CYS 82 -1.229 -0.460 1.117
603 2HB CYS 82 2HB CYS 82 -0.628 1.060 0.466
604 H HIS 83 H HIS 83 -1.963 2.557 2.033
605 HA HIS 83 HA HIS 83 -4.284 1.443 3.092
606 1HB HIS 83 1HB HIS 83 -4.501 2.226 5.250
607 2HB HIS 83 2HB HIS 83 -2.772 1.899 5.201
608 HD1 HIS 83 HD1 HIS 83 -5.169 4.530 5.914
609 HD2 HIS 83 HD2 HIS 83 -1.195 4.334 4.717
610 HE1 HIS 83 HE1 HIS 83 -4.210 6.804 6.395
611 HE2 HIS 83 HE2 HIS 83 -1.826 6.686 5.589
612 H CYS 84 H CYS 84 -5.830 2.453 2.023
613 HA CYS 84 HA CYS 84 -5.363 4.977 0.750
614 1HB CYS 84 1HB CYS 84 -7.561 4.675 -0.225
615 2HB CYS 84 2HB CYS 84 -6.678 3.155 -0.294
616 H SER 85 H SER 85 -5.755 6.930 1.550
617 HA SER 85 HA SER 85 -7.953 7.332 3.412
618 1HB SER 85 1HB SER 85 -5.763 6.815 4.684
619 2HB SER 85 2HB SER 85 -5.250 8.420 4.161
620 HG SER 85 HG SER 85 -6.691 7.868 6.245
621 H THR 86 H THR 86 -8.919 9.270 3.186
622 HA THR 86 HA THR 86 -8.496 10.847 0.945
623 HB THR 86 HB THR 86 -9.669 12.495 2.936
624 HG1 THR 86 HG1 THR 86 -9.845 10.634 4.226
625 1HG2 THR 86 1HG2 THR 86 -10.299 11.839 0.426
626 2HG2 THR 86 2HG2 THR 86 -11.443 10.812 1.291
627 3HG2 THR 86 3HG2 THR 86 -11.446 12.555 1.558
628 H CYS 87 H CYS 87 -6.774 12.024 0.465
629 HA CYS 87 HA CYS 87 -5.419 13.485 2.634
630 1HB CYS 87 1HB CYS 87 -3.443 13.479 1.019
631 2HB CYS 87 2HB CYS 87 -3.862 11.937 1.759
632 H TYR 88 H TYR 88 -5.067 15.641 2.427
633 HA TYR 88 HA TYR 88 -6.688 17.337 1.173
634 1HB TYR 88 1HB TYR 88 -4.618 18.914 0.965
635 2HB TYR 88 2HB TYR 88 -5.148 18.382 2.558
636 HD1 TYR 88 HD1 TYR 88 -3.542 15.836 0.587
637 HD2 TYR 88 HD2 TYR 88 -2.817 19.061 3.265
638 HE1 TYR 88 HE1 TYR 88 -1.295 14.950 1.033
639 HE2 TYR 88 HE2 TYR 88 -0.565 18.184 3.717
640 HH TYR 88 HH TYR 88 1.080 16.364 1.998
641 H TYR 89 H TYR 89 -6.867 18.437 -0.783
642 HA TYR 89 HA TYR 89 -5.071 17.864 -2.962
643 1HB TYR 89 1HB TYR 89 -7.536 16.352 -2.622
644 2HB TYR 89 2HB TYR 89 -7.484 17.198 -4.165
645 HD1 TYR 89 HD1 TYR 89 -5.042 17.008 -5.330
646 HD2 TYR 89 HD2 TYR 89 -6.739 14.192 -2.630
647 HE1 TYR 89 HE1 TYR 89 -3.583 15.258 -6.249
648 HE2 TYR 89 HE2 TYR 89 -5.282 12.432 -3.542
649 HH TYR 89 HH TYR 89 -3.979 12.303 -6.180
650 H HIS 90 H HIS 90 -4.961 20.197 -2.598
651 HA HIS 90 HA HIS 90 -6.859 21.574 -4.323
652 1HB HIS 90 1HB HIS 90 -6.471 22.168 -1.409
653 2HB HIS 90 2HB HIS 90 -6.840 23.481 -2.523
654 HD1 HIS 90 HD1 HIS 90 -8.291 20.097 -1.564
655 HD2 HIS 90 HD2 HIS 90 -9.496 23.839 -2.910
656 HE1 HIS 90 HE1 HIS 90 -10.805 20.021 -1.602
657 HE2 HIS 90 HE2 HIS 90 -11.511 22.277 -2.473
658 H LYS 91 H LYS 91 -6.094 23.936 -4.633
659 HA LYS 91 HA LYS 91 -3.149 23.930 -4.758
660 1HB LYS 91 1HB LYS 91 -4.531 25.747 -6.597
661 2HB LYS 91 2HB LYS 91 -3.201 24.638 -6.897
662 1HG LYS 91 1HG LYS 91 -6.080 23.799 -6.662
663 2HG LYS 91 2HG LYS 91 -5.261 24.142 -8.187
664 1HD LYS 91 1HD LYS 91 -3.561 22.392 -7.520
665 2HD LYS 91 2HD LYS 91 -4.660 21.951 -6.211
666 1HE LYS 91 1HE LYS 91 -5.087 20.474 -8.033
667 2HE LYS 91 2HE LYS 91 -6.439 21.603 -7.935
668 1HZ LYS 91 1HZ LYS 91 -4.871 22.893 -9.634
669 2HZ LYS 91 2HZ LYS 91 -4.413 21.306 -10.001
670 3HZ LYS 91 3HZ LYS 91 -6.035 21.771 -10.132
671 H SER 92 H SER 92 -2.901 26.606 -5.621
672 HA SER 92 HA SER 92 -2.641 28.710 -4.803
673 1HB SER 92 1HB SER 92 -4.737 29.004 -2.929
674 2HB SER 92 2HB SER 92 -4.689 29.588 -4.592
675 HG SER 92 HG SER 92 -6.303 27.794 -3.623
No H/Q in entry = 675
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 -11.503 -19.454 -6.635
2 H2 ALA 1 H2 ALA 1 -12.256 -20.524 -5.525
3 H3 ALA 1 H3 ALA 1 -13.213 -19.462 -6.472
4 HA ALA 1 HA ALA 1 -13.042 -17.883 -5.027
5 1HB ALA 1 2HB ALA 1 -12.045 -20.255 -3.627
6 2HB ALA 1 3HB ALA 1 -11.597 -18.722 -2.877
7 3HB ALA 1 1HB ALA 1 -13.296 -19.100 -3.163
8 HA PRO 2 HA PRO 2 -8.269 -17.122 -4.321
9 1HB PRO 2 1HB PRO 2 -6.667 -18.836 -5.775
10 2HB PRO 2 2HB PRO 2 -7.035 -19.024 -4.059
11 1HG PRO 2 1HG PRO 2 -8.272 -20.373 -6.422
12 2HG PRO 2 2HG PRO 2 -7.848 -21.050 -4.838
13 1HD PRO 2 1HD PRO 2 -10.380 -20.422 -5.467
14 2HD PRO 2 2HD PRO 2 -9.746 -20.195 -3.823
15 H ASP 3 H ASP 3 -9.422 -15.564 -5.784
16 HA ASP 3 HA ASP 3 -8.178 -15.582 -8.455
17 1HB ASP 3 1HB ASP 3 -10.898 -15.684 -7.913
18 2HB ASP 3 2HB ASP 3 -10.609 -13.985 -8.278
19 H VAL 4 H VAL 4 -6.789 -13.987 -8.733
20 HA VAL 4 HA VAL 4 -7.275 -11.417 -7.387
21 HB VAL 4 HB VAL 4 -4.807 -11.203 -7.060
22 1HG1 VAL 4 1HG1 VAL 4 -6.623 -12.230 -5.410
23 2HG1 VAL 4 2HG1 VAL 4 -5.578 -13.642 -5.561
24 3HG1 VAL 4 3HG1 VAL 4 -4.917 -12.115 -4.978
25 1HG2 VAL 4 1HG2 VAL 4 -4.833 -14.125 -7.811
26 2HG2 VAL 4 2HG2 VAL 4 -4.037 -12.819 -8.689
27 3HG2 VAL 4 3HG2 VAL 4 -3.465 -13.280 -7.086
28 H GLN 5 H GLN 5 -5.946 -9.622 -8.379
29 HA GLN 5 HA GLN 5 -4.971 -10.004 -11.051
30 1HB GLN 5 1HB GLN 5 -7.739 -9.478 -10.709
31 2HB GLN 5 2HB GLN 5 -7.004 -8.022 -11.364
32 1HG GLN 5 1HG GLN 5 -6.172 -9.197 -13.256
33 2HG GLN 5 2HG GLN 5 -6.618 -10.753 -12.555
34 2HE2 GLN 5 2HE2 GLN 5 -9.130 -10.336 -11.675
35 1HE2 GLN 5 1HE2 GLN 5 -10.182 -9.972 -12.998
36 H ASP 6 H ASP 6 -3.315 -8.670 -11.227
37 HA ASP 6 HA ASP 6 -1.839 -7.011 -10.594
38 1HB ASP 6 1HB ASP 6 -4.290 -5.626 -11.667
39 2HB ASP 6 2HB ASP 6 -2.819 -4.740 -11.287
40 H CYS 7 H CYS 7 -2.362 -4.377 -9.720
41 HA CYS 7 HA CYS 7 -1.880 -3.890 -7.342
42 1HB CYS 7 1HB CYS 7 -3.042 -2.117 -8.349
43 2HB CYS 7 2HB CYS 7 -4.528 -3.052 -8.495
44 HA PRO 8 HA PRO 8 -4.148 -7.140 -5.076
45 1HB PRO 8 1HB PRO 8 -2.102 -7.980 -3.579
46 2HB PRO 8 2HB PRO 8 -2.237 -8.449 -5.279
47 1HG PRO 8 1HG PRO 8 -0.531 -6.331 -4.028
48 2HG PRO 8 2HG PRO 8 -0.113 -7.500 -5.293
49 1HD PRO 8 1HD PRO 8 -0.823 -4.876 -5.766
50 2HD PRO 8 2HD PRO 8 -0.985 -6.187 -6.950
51 H GLU 9 H GLU 9 -4.233 -4.307 -4.533
52 HA GLU 9 HA GLU 9 -5.206 -3.205 -2.720
53 1HB GLU 9 1HB GLU 9 -5.041 -5.536 -1.523
54 2HB GLU 9 2HB GLU 9 -3.628 -4.824 -0.758
55 1HG GLU 9 1HG GLU 9 -5.981 -3.100 -0.703
56 2HG GLU 9 2HG GLU 9 -6.200 -4.631 0.142
57 H CYS 10 H CYS 10 -4.467 -1.354 -1.761
58 HA CYS 10 HA CYS 10 -2.206 -0.124 -2.534
59 1HB CYS 10 1HB CYS 10 -3.230 1.476 -1.348
60 2HB CYS 10 2HB CYS 10 -4.141 0.277 -0.440
61 H THR 11 H THR 11 -0.067 -0.042 -2.020
62 HA THR 11 HA THR 11 1.151 -0.817 0.336
63 HB THR 11 HB THR 11 0.432 -3.070 0.029
64 HG1 THR 11 HG1 THR 11 2.489 -3.170 0.691
65 1HG2 THR 11 1HG2 THR 11 0.057 -2.775 -2.498
66 2HG2 THR 11 2HG2 THR 11 1.742 -3.271 -2.648
67 3HG2 THR 11 3HG2 THR 11 0.570 -4.351 -1.894
68 H LEU 12 H LEU 12 3.507 -1.955 -0.519
69 HA LEU 12 HA LEU 12 4.620 0.259 -2.031
70 1HB LEU 12 1HB LEU 12 5.791 -1.959 -0.402
71 2HB LEU 12 2HB LEU 12 6.794 -0.969 -1.447
72 HG LEU 12 HG LEU 12 6.260 1.015 -0.202
73 1HD1 LEU 12 1HD1 LEU 12 4.280 -0.759 1.196
74 2HD1 LEU 12 2HD1 LEU 12 4.830 0.776 1.870
75 3HD1 LEU 12 3HD1 LEU 12 3.985 0.745 0.322
76 1HD2 LEU 12 1HD2 LEU 12 7.008 -1.379 1.458
77 2HD2 LEU 12 2HD2 LEU 12 8.069 -0.173 0.735
78 3HD2 LEU 12 3HD2 LEU 12 7.039 0.264 2.098
79 H GLN 13 H GLN 13 5.494 0.143 -4.005
80 HA GLN 13 HA GLN 13 5.270 -2.444 -5.351
81 1HB GLN 13 1HB GLN 13 4.973 0.348 -6.314
82 2HB GLN 13 2HB GLN 13 5.403 -0.938 -7.436
83 1HG GLN 13 1HG GLN 13 3.302 -2.019 -6.063
84 2HG GLN 13 2HG GLN 13 2.850 -0.320 -6.188
85 2HE2 GLN 13 2HE2 GLN 13 1.885 -2.869 -7.482
86 1HE2 GLN 13 1HE2 GLN 13 1.866 -2.510 -9.173
87 H GLU 14 H GLU 14 7.307 -2.382 -3.969
88 HA GLU 14 HA GLU 14 9.646 -1.617 -3.937
89 1HB GLU 14 1HB GLU 14 9.270 -4.034 -3.756
90 2HB GLU 14 2HB GLU 14 9.332 -4.163 -5.509
91 1HG GLU 14 1HG GLU 14 11.665 -3.078 -5.265
92 2HG GLU 14 2HG GLU 14 11.535 -3.578 -3.579
93 H ASN 15 H ASN 15 10.910 -0.390 -4.931
94 HA ASN 15 HA ASN 15 10.587 0.690 -7.406
95 1HB ASN 15 1HB ASN 15 12.274 1.098 -5.331
96 2HB ASN 15 2HB ASN 15 13.378 0.547 -6.583
97 2HD2 ASN 15 2HD2 ASN 15 10.634 2.713 -6.149
98 1HD2 ASN 15 1HD2 ASN 15 11.265 3.994 -7.122
99 HA PRO 16 HA PRO 16 12.029 -2.913 -9.764
100 1HB PRO 16 1HB PRO 16 10.604 -1.648 -11.973
101 2HB PRO 16 2HB PRO 16 10.288 -3.207 -11.208
102 1HG PRO 16 1HG PRO 16 8.611 -1.082 -10.973
103 2HG PRO 16 2HG PRO 16 8.786 -2.318 -9.714
104 1HD PRO 16 1HD PRO 16 9.988 0.423 -9.861
105 2HD PRO 16 2HD PRO 16 9.291 -0.427 -8.466
106 H PHE 17 H PHE 17 13.078 -0.070 -9.306
107 HA PHE 17 HA PHE 17 14.699 0.144 -11.744
108 1HB PHE 17 1HB PHE 17 12.972 1.967 -11.368
109 2HB PHE 17 2HB PHE 17 13.888 2.424 -9.935
110 HD1 PHE 17 HD1 PHE 17 15.909 1.187 -12.599
111 HD2 PHE 17 HD2 PHE 17 13.972 4.661 -11.095
112 HE1 PHE 17 HE1 PHE 17 17.368 2.596 -13.996
113 HE2 PHE 17 HE2 PHE 17 15.427 6.081 -12.487
114 HZ PHE 17 HZ PHE 17 17.128 5.048 -13.941
115 H PHE 18 H PHE 18 14.597 1.153 -8.329
116 HA PHE 18 HA PHE 18 17.478 1.245 -8.179
117 1HB PHE 18 1HB PHE 18 15.572 1.494 -5.860
118 2HB PHE 18 2HB PHE 18 17.194 2.156 -6.010
119 HD1 PHE 18 HD1 PHE 18 16.500 2.978 -9.005
120 HD2 PHE 18 HD2 PHE 18 14.785 3.744 -5.194
121 HE1 PHE 18 HE1 PHE 18 15.578 5.093 -9.856
122 HE2 PHE 18 HE2 PHE 18 13.851 5.864 -6.040
123 HZ PHE 18 HZ PHE 18 14.246 6.535 -8.375
124 H SER 19 H SER 19 15.231 -1.192 -7.988
125 HA SER 19 HA SER 19 16.091 -2.713 -5.801
126 1HB SER 19 1HB SER 19 14.032 -3.084 -7.290
127 2HB SER 19 2HB SER 19 15.126 -3.930 -8.384
128 HG SER 19 HG SER 19 14.524 -5.535 -7.109
129 H GLN 20 H GLN 20 18.367 -2.497 -5.772
130 HA GLN 20 HA GLN 20 19.831 -3.884 -7.895
131 1HB GLN 20 1HB GLN 20 20.895 -2.314 -5.539
132 2HB GLN 20 2HB GLN 20 21.835 -2.924 -6.894
133 1HG GLN 20 1HG GLN 20 19.705 -0.802 -7.000
134 2HG GLN 20 2HG GLN 20 21.444 -0.558 -7.135
135 2HE2 GLN 20 2HE2 GLN 20 22.304 -0.550 -9.091
136 1HE2 GLN 20 1HE2 GLN 20 21.532 -1.099 -10.537
137 HA PRO 21 HA PRO 21 20.303 -7.720 -5.788
138 1HB PRO 21 1HB PRO 21 23.143 -7.807 -6.002
139 2HB PRO 21 2HB PRO 21 21.965 -8.600 -7.048
140 1HG PRO 21 1HG PRO 21 23.430 -6.053 -7.442
141 2HG PRO 21 2HG PRO 21 22.807 -7.194 -8.647
142 1HD PRO 21 1HD PRO 21 21.626 -4.823 -8.211
143 2HD PRO 21 2HD PRO 21 20.675 -6.275 -8.592
144 H GLY 22 H GLY 22 19.736 -6.199 -3.900
145 1HA GLY 22 1HA GLY 22 21.962 -5.569 -2.146
146 2HA GLY 22 2HA GLY 22 20.902 -6.859 -1.589
147 H ALA 23 H ALA 23 19.480 -4.346 -3.481
148 HA ALA 23 HA ALA 23 17.935 -3.499 -1.175
149 1HB ALA 23 2HB ALA 23 19.626 -1.914 -0.892
150 2HB ALA 23 3HB ALA 23 18.406 -1.052 -1.831
151 3HB ALA 23 1HB ALA 23 19.839 -1.695 -2.630
152 HA PRO 24 HA PRO 24 15.113 -3.319 -4.599
153 1HB PRO 24 1HB PRO 24 13.222 -4.706 -3.356
154 2HB PRO 24 2HB PRO 24 14.721 -5.493 -3.859
155 1HG PRO 24 1HG PRO 24 13.813 -4.742 -1.143
156 2HG PRO 24 2HG PRO 24 14.938 -6.015 -1.643
157 1HD PRO 24 1HD PRO 24 15.532 -3.359 -0.706
158 2HD PRO 24 2HD PRO 24 16.656 -4.666 -1.125
159 H ILE 25 H ILE 25 15.203 -0.929 -3.952
160 HA ILE 25 HA ILE 25 13.728 0.381 -2.163
161 HB ILE 25 HB ILE 25 14.152 0.997 -5.072
162 1HG1 ILE 25 1HG1 ILE 25 16.203 0.954 -3.948
163 2HG1 ILE 25 2HG1 ILE 25 15.735 2.654 -3.848
164 1HG2 ILE 25 1HG2 ILE 25 12.840 2.557 -2.879
165 2HG2 ILE 25 2HG2 ILE 25 13.741 3.397 -4.130
166 3HG2 ILE 25 3HG2 ILE 25 12.350 2.413 -4.562
167 1HD1 ILE 25 1HD1 ILE 25 15.253 0.606 -1.704
168 2HD1 ILE 25 2HD1 ILE 25 16.561 1.778 -1.710
169 3HD1 ILE 25 3HD1 ILE 25 14.886 2.326 -1.618
170 H LEU 26 H LEU 26 11.735 1.874 -2.947
171 HA LEU 26 HA LEU 26 9.565 0.204 -3.939
172 1HB LEU 26 1HB LEU 26 8.990 1.603 -1.477
173 2HB LEU 26 2HB LEU 26 8.618 -0.055 -1.947
174 HG LEU 26 HG LEU 26 11.390 0.729 -1.349
175 1HD1 LEU 26 1HD1 LEU 26 9.404 1.158 0.504
176 2HD1 LEU 26 2HD1 LEU 26 10.037 -0.430 0.934
177 3HD1 LEU 26 3HD1 LEU 26 11.122 0.954 0.847
178 1HD2 LEU 26 1HD2 LEU 26 10.298 -1.583 -2.201
179 2HD2 LEU 26 2HD2 LEU 26 11.803 -1.476 -1.289
180 3HD2 LEU 26 3HD2 LEU 26 10.294 -1.845 -0.457
181 H GLN 27 H GLN 27 7.538 1.551 -3.009
182 HA GLN 27 HA GLN 27 7.337 4.256 -3.082
183 1HB GLN 27 1HB GLN 27 8.407 4.557 -5.126
184 2HB GLN 27 2HB GLN 27 7.654 3.139 -5.842
185 1HG GLN 27 1HG GLN 27 5.706 4.244 -6.328
186 2HG GLN 27 2HG GLN 27 5.932 5.431 -5.044
187 2HE2 GLN 27 2HE2 GLN 27 5.348 5.717 -7.933
188 1HE2 GLN 27 1HE2 GLN 27 6.573 6.772 -8.543
189 H CYS 28 H CYS 28 5.714 3.267 -1.743
190 HA CYS 28 HA CYS 28 3.680 1.729 -1.947
191 1HB CYS 28 1HB CYS 28 3.979 4.038 -0.530
192 2HB CYS 28 2HB CYS 28 2.573 4.422 -1.511
193 H MET 29 H MET 29 2.477 1.001 -3.586
194 HA MET 29 HA MET 29 0.937 2.879 -5.163
195 1HB MET 29 1HB MET 29 3.365 1.669 -6.189
196 2HB MET 29 2HB MET 29 1.967 1.221 -7.158
197 1HG MET 29 1HG MET 29 1.446 3.770 -7.078
198 2HG MET 29 2HG MET 29 3.155 3.912 -6.675
199 1HE MET 29 1HE MET 29 0.703 2.113 -9.080
200 2HE MET 29 2HE MET 29 1.690 1.821 -10.512
201 3HE MET 29 3HE MET 29 2.008 0.928 -9.025
202 H GLY 30 H GLY 30 -1.030 2.045 -4.883
203 1HA GLY 30 1HA GLY 30 -1.672 -0.579 -4.249
204 2HA GLY 30 2HA GLY 30 -1.722 -0.472 -6.002
205 H CYS 31 H CYS 31 -3.861 -0.922 -3.985
206 HA CYS 31 HA CYS 31 -5.511 1.465 -4.224
207 1HB CYS 31 1HB CYS 31 -6.889 -0.989 -5.122
208 2HB CYS 31 2HB CYS 31 -7.049 0.667 -5.695
209 H CYS 32 H CYS 32 -6.296 1.749 -2.250
210 HA CYS 32 HA CYS 32 -6.296 -0.081 -0.182
211 1HB CYS 32 1HB CYS 32 -6.956 2.567 -0.445
212 2HB CYS 32 2HB CYS 32 -8.513 1.840 -0.062
213 H PHE 33 H PHE 33 -7.432 -1.858 0.213
214 HA PHE 33 HA PHE 33 -9.741 -2.491 -1.417
215 1HB PHE 33 1HB PHE 33 -8.029 -3.998 0.521
216 2HB PHE 33 2HB PHE 33 -9.617 -4.630 0.101
217 HD1 PHE 33 HD1 PHE 33 -8.533 -2.883 -2.683
218 HD2 PHE 33 HD2 PHE 33 -7.791 -6.488 -0.547
219 HE1 PHE 33 HE1 PHE 33 -7.592 -3.889 -4.718
220 HE2 PHE 33 HE2 PHE 33 -6.847 -7.501 -2.580
221 HZ PHE 33 HZ PHE 33 -6.746 -6.202 -4.670
222 H SER 34 H SER 34 -11.689 -3.442 -0.386
223 HA SER 34 HA SER 34 -12.403 -1.931 2.039
224 1HB SER 34 1HB SER 34 -14.542 -2.971 0.253
225 2HB SER 34 2HB SER 34 -14.468 -1.465 1.166
226 HG SER 34 HG SER 34 -13.439 -0.512 -0.445
227 H ARG 35 H ARG 35 -14.953 -3.381 2.209
228 HA ARG 35 HA ARG 35 -13.948 -5.990 3.136
229 1HB ARG 35 1HB ARG 35 -15.475 -5.864 5.027
230 2HB ARG 35 2HB ARG 35 -14.398 -4.473 5.022
231 1HG ARG 35 1HG ARG 35 -16.117 -3.085 5.008
232 2HG ARG 35 2HG ARG 35 -16.771 -3.844 3.555
233 1HD ARG 35 1HD ARG 35 -17.347 -5.667 5.536
234 2HD ARG 35 2HD ARG 35 -17.581 -4.117 6.340
235 HE ARG 35 HE ARG 35 -19.188 -5.244 4.229
236 1HH1 ARG 35 1HH1 ARG 35 -18.237 -2.339 5.893
237 2HH1 ARG 35 2HH1 ARG 35 -19.678 -1.472 5.478
238 1HH2 ARG 35 1HH2 ARG 35 -21.096 -4.116 3.679
239 2HH2 ARG 35 2HH2 ARG 35 -21.304 -2.484 4.219
240 H ALA 36 H ALA 36 -15.085 -5.452 0.581
241 HA ALA 36 HA ALA 36 -17.835 -6.121 0.486
242 1HB ALA 36 2HB ALA 36 -17.000 -6.851 -1.953
243 2HB ALA 36 3HB ALA 36 -17.266 -5.171 -1.486
244 3HB ALA 36 1HB ALA 36 -15.636 -5.843 -1.467
245 H TYR 37 H TYR 37 -18.439 -8.134 -0.970
246 HA TYR 37 HA TYR 37 -16.908 -10.511 -0.338
247 1HB TYR 37 1HB TYR 37 -18.413 -11.553 1.080
248 2HB TYR 37 2HB TYR 37 -18.566 -9.880 1.609
249 HD1 TYR 37 HD1 TYR 37 -20.422 -8.499 0.289
250 HD2 TYR 37 HD2 TYR 37 -20.350 -12.735 0.671
251 HE1 TYR 37 HE1 TYR 37 -22.833 -8.576 -0.182
252 HE2 TYR 37 HE2 TYR 37 -22.761 -12.824 0.203
253 HH TYR 37 HH TYR 37 -24.427 -10.967 -1.212
254 HA PRO 38 HA PRO 38 -18.150 -12.321 -4.144
255 1HB PRO 38 1HB PRO 38 -19.772 -14.239 -2.549
256 2HB PRO 38 2HB PRO 38 -18.575 -14.554 -3.805
257 1HG PRO 38 1HG PRO 38 -18.138 -14.734 -1.059
258 2HG PRO 38 2HG PRO 38 -16.884 -14.650 -2.305
259 1HD PRO 38 1HD PRO 38 -17.490 -12.709 -0.308
260 2HD PRO 38 2HD PRO 38 -16.310 -12.575 -1.624
261 H THR 39 H THR 39 -19.636 -11.402 -5.419
262 HA THR 39 HA THR 39 -22.395 -11.163 -4.411
263 HB THR 39 HB THR 39 -20.784 -9.205 -6.044
264 HG1 THR 39 HG1 THR 39 -21.313 -7.831 -4.332
265 1HG2 THR 39 1HG2 THR 39 -23.696 -9.544 -5.920
266 2HG2 THR 39 2HG2 THR 39 -23.105 -7.910 -5.622
267 3HG2 THR 39 3HG2 THR 39 -22.690 -8.737 -7.124
268 HA PRO 40 HA PRO 40 -22.254 -13.507 -8.480
269 1HB PRO 40 1HB PRO 40 -23.343 -15.816 -7.591
270 2HB PRO 40 2HB PRO 40 -21.608 -15.494 -7.504
271 1HG PRO 40 1HG PRO 40 -23.687 -15.259 -5.363
272 2HG PRO 40 2HG PRO 40 -22.051 -15.939 -5.265
273 1HD PRO 40 1HD PRO 40 -22.671 -13.435 -4.403
274 2HD PRO 40 2HD PRO 40 -21.072 -13.872 -5.036
275 H LEU 41 H LEU 41 -24.687 -13.352 -5.920
276 HA LEU 41 HA LEU 41 -26.995 -13.438 -6.031
277 1HB LEU 41 1HB LEU 41 -25.948 -11.133 -7.567
278 2HB LEU 41 2HB LEU 41 -27.662 -11.466 -7.723
279 HG LEU 41 HG LEU 41 -26.427 -11.255 -5.005
280 1HD1 LEU 41 1HD1 LEU 41 -26.064 -9.230 -6.748
281 2HD1 LEU 41 2HD1 LEU 41 -27.657 -8.821 -6.109
282 3HD1 LEU 41 3HD1 LEU 41 -26.288 -9.010 -5.012
283 1HD2 LEU 41 1HD2 LEU 41 -28.975 -11.798 -5.959
284 2HD2 LEU 41 2HD2 LEU 41 -28.537 -11.362 -4.307
285 3HD2 LEU 41 3HD2 LEU 41 -29.048 -10.113 -5.443
286 H ARG 42 H ARG 42 -26.749 -12.288 -9.328
287 HA ARG 42 HA ARG 42 -27.394 -13.169 -11.327
288 1HB ARG 42 1HB ARG 42 -26.779 -15.604 -9.755
289 2HB ARG 42 2HB ARG 42 -27.800 -15.827 -11.167
290 1HG ARG 42 1HG ARG 42 -25.842 -14.306 -12.224
291 2HG ARG 42 2HG ARG 42 -24.940 -15.173 -10.979
292 1HD ARG 42 1HD ARG 42 -24.756 -16.604 -12.781
293 2HD ARG 42 2HD ARG 42 -26.155 -17.264 -11.936
294 HE ARG 42 HE ARG 42 -27.554 -16.403 -13.619
295 1HH1 ARG 42 1HH1 ARG 42 -24.179 -15.777 -14.237
296 2HH1 ARG 42 2HH1 ARG 42 -24.426 -15.401 -15.910
297 1HH2 ARG 42 1HH2 ARG 42 -27.883 -15.899 -15.816
298 2HH2 ARG 42 2HH2 ARG 42 -26.527 -15.470 -16.806
299 H SER 43 H SER 43 -29.261 -12.233 -9.307
300 HA SER 43 HA SER 43 -31.668 -13.543 -10.347
301 1HB SER 43 1HB SER 43 -32.662 -13.176 -7.986
302 2HB SER 43 2HB SER 43 -31.587 -14.551 -8.230
303 HG SER 43 HG SER 43 -30.891 -13.531 -6.404
304 H LYS 44 H LYS 44 -31.701 -11.202 -7.767
305 HA LYS 44 HA LYS 44 -32.311 -9.032 -9.635
306 1HB LYS 44 1HB LYS 44 -34.510 -9.535 -9.243
307 2HB LYS 44 2HB LYS 44 -34.175 -10.276 -7.686
308 1HG LYS 44 1HG LYS 44 -34.432 -8.341 -6.553
309 2HG LYS 44 2HG LYS 44 -33.774 -7.356 -7.862
310 1HD LYS 44 1HD LYS 44 -36.532 -8.574 -7.720
311 2HD LYS 44 2HD LYS 44 -36.123 -6.863 -7.591
312 1HE LYS 44 1HE LYS 44 -35.075 -7.160 -9.925
313 2HE LYS 44 2HE LYS 44 -36.011 -8.653 -9.995
314 1HZ LYS 44 1HZ LYS 44 -37.490 -6.299 -9.177
315 2HZ LYS 44 2HZ LYS 44 -36.935 -6.276 -10.775
316 3HZ LYS 44 3HZ LYS 44 -37.928 -7.537 -10.242
317 H LYS 45 H LYS 45 -31.157 -7.299 -9.102
318 HA LYS 45 HA LYS 45 -29.470 -7.095 -6.928
319 1HB LYS 45 1HB LYS 45 -30.741 -4.714 -8.282
320 2HB LYS 45 2HB LYS 45 -29.170 -4.787 -7.496
321 1HG LYS 45 1HG LYS 45 -29.602 -6.649 -9.748
322 2HG LYS 45 2HG LYS 45 -29.498 -4.934 -10.143
323 1HD LYS 45 1HD LYS 45 -27.303 -4.798 -9.570
324 2HD LYS 45 2HD LYS 45 -27.455 -5.997 -8.284
325 1HE LYS 45 1HE LYS 45 -26.080 -6.901 -10.039
326 2HE LYS 45 2HE LYS 45 -27.617 -7.764 -10.011
327 1HZ LYS 45 1HZ LYS 45 -27.106 -5.491 -11.839
328 2HZ LYS 45 2HZ LYS 45 -26.754 -7.091 -12.261
329 3HZ LYS 45 3HZ LYS 45 -28.348 -6.636 -11.921
330 H THR 46 H THR 46 -29.711 -4.938 -5.443
331 HA THR 46 HA THR 46 -32.320 -5.191 -4.096
332 HB THR 46 HB THR 46 -30.799 -4.536 -2.020
333 HG1 THR 46 HG1 THR 46 -28.845 -4.443 -3.053
334 1HG2 THR 46 1HG2 THR 46 -31.358 -7.214 -3.180
335 2HG2 THR 46 2HG2 THR 46 -30.292 -7.087 -1.779
336 3HG2 THR 46 3HG2 THR 46 -31.945 -6.481 -1.687
337 H MET 47 H MET 47 -29.512 -3.077 -4.626
338 HA MET 47 HA MET 47 -29.285 -0.804 -4.242
339 1HB MET 47 1HB MET 47 -29.947 -0.675 -6.480
340 2HB MET 47 2HB MET 47 -31.590 -1.192 -6.127
341 1HG MET 47 1HG MET 47 -32.289 0.894 -5.826
342 2HG MET 47 2HG MET 47 -30.913 1.294 -4.800
343 1HE MET 47 1HE MET 47 -29.159 2.645 -5.286
344 2HE MET 47 2HE MET 47 -28.859 3.537 -6.777
345 3HE MET 47 3HE MET 47 -30.312 3.863 -5.832
346 H LEU 48 H LEU 48 -29.914 -1.202 -1.916
347 HA LEU 48 HA LEU 48 -32.513 0.002 -1.267
348 1HB LEU 48 1HB LEU 48 -30.869 -2.086 -0.063
349 2HB LEU 48 2HB LEU 48 -31.393 -0.891 1.106
350 HG LEU 48 HG LEU 48 -32.837 -3.102 0.080
351 1HD1 LEU 48 1HD1 LEU 48 -32.725 -1.779 2.370
352 2HD1 LEU 48 2HD1 LEU 48 -34.168 -1.013 1.709
353 3HD1 LEU 48 3HD1 LEU 48 -34.119 -2.762 1.923
354 1HD2 LEU 48 1HD2 LEU 48 -33.493 -1.503 -1.741
355 2HD2 LEU 48 2HD2 LEU 48 -34.834 -2.150 -0.795
356 3HD2 LEU 48 3HD2 LEU 48 -34.257 -0.510 -0.500
357 H VAL 49 H VAL 49 -32.081 0.900 1.260
358 HA VAL 49 HA VAL 49 -30.543 3.307 0.747
359 HB VAL 49 HB VAL 49 -31.498 3.301 3.420
360 1HG1 VAL 49 1HG1 VAL 49 -31.234 5.140 1.625
361 2HG1 VAL 49 2HG1 VAL 49 -32.870 4.685 1.151
362 3HG1 VAL 49 3HG1 VAL 49 -32.555 5.262 2.787
363 1HG2 VAL 49 1HG2 VAL 49 -33.574 2.383 1.433
364 2HG2 VAL 49 2HG2 VAL 49 -32.975 1.466 2.815
365 3HG2 VAL 49 3HG2 VAL 49 -33.899 2.945 3.072
366 H GLN 50 H GLN 50 -29.128 4.179 2.507
367 HA GLN 50 HA GLN 50 -27.205 4.025 3.714
368 1HB GLN 50 1HB GLN 50 -29.054 2.095 4.881
369 2HB GLN 50 2HB GLN 50 -27.373 1.650 5.142
370 1HG GLN 50 1HG GLN 50 -28.805 4.133 6.017
371 2HG GLN 50 2HG GLN 50 -27.979 2.928 7.004
372 2HE2 GLN 50 2HE2 GLN 50 -25.624 2.689 5.545
373 1HE2 GLN 50 1HE2 GLN 50 -24.734 4.164 5.680
374 H LYS 51 H LYS 51 -27.510 2.603 1.079
375 HA LYS 51 HA LYS 51 -24.951 1.262 1.156
376 1HB LYS 51 1HB LYS 51 -27.481 -0.217 0.423
377 2HB LYS 51 2HB LYS 51 -25.868 -0.784 0.010
378 1HG LYS 51 1HG LYS 51 -25.486 -0.477 2.608
379 2HG LYS 51 2HG LYS 51 -27.238 -0.691 2.641
380 1HD LYS 51 1HD LYS 51 -27.057 -2.818 1.540
381 2HD LYS 51 2HD LYS 51 -25.328 -2.583 1.274
382 1HE LYS 51 1HE LYS 51 -25.377 -3.985 3.119
383 2HE LYS 51 2HE LYS 51 -25.195 -2.390 3.845
384 1HZ LYS 51 1HZ LYS 51 -27.867 -3.581 3.466
385 2HZ LYS 51 2HZ LYS 51 -26.929 -3.974 4.817
386 3HZ LYS 51 3HZ LYS 51 -27.391 -2.368 4.544
387 H ASN 52 H ASN 52 -24.628 3.221 -0.142
388 HA ASN 52 HA ASN 52 -24.782 2.613 -2.938
389 1HB ASN 52 1HB ASN 52 -27.016 3.828 -2.060
390 2HB ASN 52 2HB ASN 52 -26.020 5.250 -2.359
391 2HD2 ASN 52 2HD2 ASN 52 -27.309 2.326 -3.831
392 1HD2 ASN 52 1HD2 ASN 52 -27.314 2.925 -5.451
393 H VAL 53 H VAL 53 -22.857 3.274 -0.776
394 HA VAL 53 HA VAL 53 -21.533 5.553 -2.097
395 HB VAL 53 HB VAL 53 -20.371 5.598 0.332
396 1HG1 VAL 53 1HG1 VAL 53 -22.449 7.093 -1.029
397 2HG1 VAL 53 2HG1 VAL 53 -22.596 7.201 0.724
398 3HG1 VAL 53 3HG1 VAL 53 -21.090 7.671 -0.064
399 1HG2 VAL 53 1HG2 VAL 53 -23.197 4.653 0.788
400 2HG2 VAL 53 2HG2 VAL 53 -21.709 3.855 1.297
401 3HG2 VAL 53 3HG2 VAL 53 -22.180 5.390 2.028
402 H THR 54 H THR 54 -19.207 5.505 -2.112
403 HA THR 54 HA THR 54 -18.147 2.762 -2.065
404 HB THR 54 HB THR 54 -16.300 4.223 -3.464
405 HG1 THR 54 HG1 THR 54 -18.689 5.132 -4.568
406 1HG2 THR 54 1HG2 THR 54 -18.700 2.716 -4.442
407 2HG2 THR 54 2HG2 THR 54 -17.499 3.402 -5.536
408 3HG2 THR 54 3HG2 THR 54 -17.021 2.181 -4.357
409 H SER 55 H SER 55 -15.544 2.991 -1.934
410 HA SER 55 HA SER 55 -14.999 4.596 0.477
411 1HB SER 55 1HB SER 55 -13.726 1.933 -0.175
412 2HB SER 55 2HB SER 55 -13.618 2.834 1.336
413 HG SER 55 HG SER 55 -15.396 1.915 1.940
414 H GLU 56 H GLU 56 -14.136 6.307 -0.750
415 HA GLU 56 HA GLU 56 -11.544 5.688 -2.003
416 1HB GLU 56 1HB GLU 56 -13.570 6.569 -3.445
417 2HB GLU 56 2HB GLU 56 -13.075 8.128 -2.795
418 1HG GLU 56 1HG GLU 56 -10.745 6.804 -3.690
419 2HG GLU 56 2HG GLU 56 -11.962 6.653 -4.956
420 H SER 57 H SER 57 -10.354 7.998 -2.274
421 HA SER 57 HA SER 57 -9.381 9.812 -1.263
422 1HB SER 57 1HB SER 57 -11.850 9.963 -0.180
423 2HB SER 57 2HB SER 57 -10.911 9.606 1.269
424 HG SER 57 HG SER 57 -9.621 11.414 0.811
425 H THR 58 H THR 58 -9.430 6.691 -0.306
426 HA THR 58 HA THR 58 -7.981 6.737 2.126
427 HB THR 58 HB THR 58 -7.264 4.365 1.048
428 HG1 THR 58 HG1 THR 58 -9.040 3.667 -0.226
429 1HG2 THR 58 1HG2 THR 58 -9.986 4.975 2.172
430 2HG2 THR 58 2HG2 THR 58 -9.267 3.372 2.023
431 3HG2 THR 58 3HG2 THR 58 -8.540 4.568 3.096
432 H CYS 59 H CYS 59 -5.807 6.678 2.539
433 HA CYS 59 HA CYS 59 -3.935 6.632 0.306
434 1HB CYS 59 1HB CYS 59 -3.472 8.794 2.289
435 2HB CYS 59 2HB CYS 59 -3.083 8.740 0.573
436 H CYS 60 H CYS 60 -2.011 5.728 0.785
437 HA CYS 60 HA CYS 60 -1.527 5.055 3.606
438 1HB CYS 60 1HB CYS 60 -0.178 3.209 1.910
439 2HB CYS 60 2HB CYS 60 -1.473 2.895 3.060
440 H VAL 61 H VAL 61 -0.487 7.363 2.976
441 HA VAL 61 HA VAL 61 1.954 7.478 1.640
442 HB VAL 61 HB VAL 61 1.379 9.073 4.128
443 1HG1 VAL 61 1HG1 VAL 61 3.500 9.077 2.352
444 2HG1 VAL 61 2HG1 VAL 61 2.506 10.437 1.829
445 3HG1 VAL 61 3HG1 VAL 61 3.087 10.356 3.493
446 1HG2 VAL 61 1HG2 VAL 61 -0.024 9.085 1.534
447 2HG2 VAL 61 2HG2 VAL 61 -0.576 9.600 3.127
448 3HG2 VAL 61 3HG2 VAL 61 0.448 10.663 2.163
449 H ALA 62 H ALA 62 3.051 5.540 2.131
450 HA ALA 62 HA ALA 62 3.975 4.006 3.748
451 1HB ALA 62 1HB ALA 62 6.082 6.108 3.471
452 2HB ALA 62 3HB ALA 62 6.244 4.352 3.434
453 3HB ALA 62 2HB ALA 62 5.508 5.200 2.073
454 H LYS 63 H LYS 63 3.562 3.706 5.820
455 HA LYS 63 HA LYS 63 3.275 5.617 7.818
456 1HB LYS 63 1HB LYS 63 2.506 3.251 7.945
457 2HB LYS 63 2HB LYS 63 4.182 2.742 8.101
458 1HG LYS 63 1HG LYS 63 3.367 2.729 10.279
459 2HG LYS 63 2HG LYS 63 4.266 4.243 10.162
460 1HD LYS 63 1HD LYS 63 2.408 5.512 10.359
461 2HD LYS 63 2HD LYS 63 1.415 4.383 9.434
462 1HE LYS 63 1HE LYS 63 0.484 3.999 11.458
463 2HE LYS 63 2HE LYS 63 1.853 2.900 11.623
464 1HZ LYS 63 1HZ LYS 63 2.307 5.662 12.419
465 2HZ LYS 63 2HZ LYS 63 1.272 4.762 13.408
466 3HZ LYS 63 3HZ LYS 63 2.851 4.225 13.128
467 H SER 64 H SER 64 6.008 3.768 6.710
468 HA SER 64 HA SER 64 7.854 5.653 7.934
469 1HB SER 64 1HB SER 64 7.530 2.837 8.807
470 2HB SER 64 2HB SER 64 9.189 3.375 8.548
471 HG SER 64 HG SER 64 7.293 4.744 10.155
472 H TYR 65 H TYR 65 9.547 6.038 6.624
473 HA TYR 65 HA TYR 65 9.828 4.297 4.256
474 1HB TYR 65 1HB TYR 65 10.848 6.377 3.222
475 2HB TYR 65 2HB TYR 65 9.110 6.415 3.508
476 HD1 TYR 65 HD1 TYR 65 12.254 7.227 5.359
477 HD2 TYR 65 HD2 TYR 65 8.294 8.387 4.338
478 HE1 TYR 65 HE1 TYR 65 12.534 9.303 6.655
479 HE2 TYR 65 HE2 TYR 65 8.558 10.469 5.627
480 HH TYR 65 HH TYR 65 11.626 11.474 6.873
481 H ASN 66 H ASN 66 11.907 4.507 3.171
482 HA ASN 66 HA ASN 66 14.145 4.907 5.023
483 1HB ASN 66 1HB ASN 66 13.359 2.388 3.856
484 2HB ASN 66 2HB ASN 66 14.951 2.864 3.272
485 2HD2 ASN 66 2HD2 ASN 66 16.670 2.709 4.593
486 1HD2 ASN 66 1HD2 ASN 66 16.600 2.154 6.228
487 H ARG 67 H ARG 67 12.786 6.361 3.093
488 HA ARG 67 HA ARG 67 13.187 6.984 0.721
489 1HB ARG 67 1HB ARG 67 14.384 9.201 1.312
490 2HB ARG 67 2HB ARG 67 12.786 8.865 1.974
491 1HG ARG 67 1HG ARG 67 13.545 8.604 4.070
492 2HG ARG 67 2HG ARG 67 15.094 7.947 3.544
493 1HD ARG 67 1HD ARG 67 16.060 10.006 3.348
494 2HD ARG 67 2HD ARG 67 14.539 10.796 2.931
495 HE ARG 67 HE ARG 67 14.917 9.869 5.678
496 1HH1 ARG 67 1HH1 ARG 67 14.734 12.507 3.407
497 2HH1 ARG 67 2HH1 ARG 67 14.490 13.708 4.630
498 1HH2 ARG 67 1HH2 ARG 67 14.592 11.443 7.290
499 2HH2 ARG 67 2HH2 ARG 67 14.409 13.104 6.835
500 H VAL 68 H VAL 68 14.389 5.691 -0.370
501 HA VAL 68 HA VAL 68 17.282 5.680 -0.115
502 HB VAL 68 HB VAL 68 15.314 4.041 -1.685
503 1HG1 VAL 68 1HG1 VAL 68 18.007 4.606 -2.413
504 2HG1 VAL 68 2HG1 VAL 68 17.877 2.912 -1.942
505 3HG1 VAL 68 3HG1 VAL 68 16.836 3.558 -3.207
506 1HG2 VAL 68 1HG2 VAL 68 16.348 3.811 0.882
507 2HG2 VAL 68 2HG2 VAL 68 15.495 2.566 -0.025
508 3HG2 VAL 68 3HG2 VAL 68 17.252 2.632 -0.067
509 H THR 69 H THR 69 17.243 8.026 -0.853
510 HA THR 69 HA THR 69 16.475 8.846 -3.369
511 HB THR 69 HB THR 69 18.858 9.781 -1.772
512 HG1 THR 69 HG1 THR 69 17.062 10.226 -0.613
513 1HG2 THR 69 1HG2 THR 69 17.676 10.723 -4.312
514 2HG2 THR 69 2HG2 THR 69 18.153 11.944 -3.132
515 3HG2 THR 69 3HG2 THR 69 19.341 10.791 -3.737
516 H VAL 70 H VAL 70 17.016 8.131 -5.256
517 HA VAL 70 HA VAL 70 19.770 7.203 -5.719
518 HB VAL 70 HB VAL 70 17.705 5.975 -7.410
519 1HG1 VAL 70 1HG1 VAL 70 20.342 5.578 -7.009
520 2HG1 VAL 70 2HG1 VAL 70 19.673 4.356 -5.928
521 3HG1 VAL 70 3HG1 VAL 70 19.248 4.347 -7.640
522 1HG2 VAL 70 1HG2 VAL 70 17.912 5.338 -4.470
523 2HG2 VAL 70 2HG2 VAL 70 16.475 5.832 -5.366
524 3HG2 VAL 70 3HG2 VAL 70 17.198 4.250 -5.657
525 H MET 71 H MET 71 19.607 6.631 -8.332
526 HA MET 71 HA MET 71 20.185 7.758 -10.234
527 1HB MET 71 1HB MET 71 17.493 8.969 -10.319
528 2HB MET 71 2HB MET 71 18.331 8.009 -11.528
529 1HG MET 71 1HG MET 71 17.137 6.891 -9.012
530 2HG MET 71 2HG MET 71 16.310 6.945 -10.568
531 1HE MET 71 1HE MET 71 18.118 6.513 -12.614
532 2HE MET 71 2HE MET 71 19.738 6.150 -12.021
533 3HE MET 71 3HE MET 71 18.773 4.884 -12.780
534 H GLY 72 H GLY 72 18.365 10.237 -10.842
535 1HA GLY 72 1HA GLY 72 18.946 12.471 -11.001
536 2HA GLY 72 2HA GLY 72 20.333 12.154 -9.969
537 H GLY 73 H GLY 73 18.663 10.875 -7.898
538 1HA GLY 73 1HA GLY 73 17.582 13.354 -6.737
539 2HA GLY 73 2HA GLY 73 18.200 11.993 -5.815
540 H PHE 74 H PHE 74 16.927 9.845 -6.726
541 HA PHE 74 HA PHE 74 14.063 10.472 -6.746
542 1HB PHE 74 1HB PHE 74 15.583 7.957 -7.424
543 2HB PHE 74 2HB PHE 74 13.829 8.014 -7.297
544 HD1 PHE 74 HD1 PHE 74 16.442 10.153 -8.889
545 HD2 PHE 74 HD2 PHE 74 12.791 8.016 -9.320
546 HE1 PHE 74 HE1 PHE 74 16.301 10.877 -11.234
547 HE2 PHE 74 HE2 PHE 74 12.640 8.734 -11.665
548 HZ PHE 74 HZ PHE 74 14.396 10.171 -12.628
549 H LYS 75 H LYS 75 13.120 10.526 -4.832
550 HA LYS 75 HA LYS 75 14.147 8.824 -2.676
551 1HB LYS 75 1HB LYS 75 12.268 11.189 -2.618
552 2HB LYS 75 2HB LYS 75 12.744 10.259 -1.203
553 1HG LYS 75 1HG LYS 75 14.893 11.077 -1.217
554 2HG LYS 75 2HG LYS 75 14.839 11.480 -2.935
555 1HD LYS 75 1HD LYS 75 14.688 13.349 -1.078
556 2HD LYS 75 2HD LYS 75 13.766 13.466 -2.578
557 1HE LYS 75 1HE LYS 75 11.812 12.511 -1.443
558 2HE LYS 75 2HE LYS 75 12.737 12.409 0.055
559 1HZ LYS 75 1HZ LYS 75 12.291 14.965 -1.373
560 2HZ LYS 75 2HZ LYS 75 11.235 14.389 -0.184
561 3HZ LYS 75 3HZ LYS 75 12.842 14.740 0.211
562 H VAL 76 H VAL 76 13.244 6.921 -2.597
563 HA VAL 76 HA VAL 76 10.447 6.512 -3.270
564 HB VAL 76 HB VAL 76 11.062 4.024 -2.905
565 1HG1 VAL 76 1HG1 VAL 76 11.600 5.752 -5.067
566 2HG1 VAL 76 2HG1 VAL 76 13.104 4.866 -4.828
567 3HG1 VAL 76 3HG1 VAL 76 11.600 3.992 -5.095
568 1HG2 VAL 76 1HG2 VAL 76 13.223 5.358 -1.648
569 2HG2 VAL 76 2HG2 VAL 76 13.021 3.625 -1.869
570 3HG2 VAL 76 3HG2 VAL 76 13.916 4.569 -3.061
571 H GLU 77 H GLU 77 11.660 7.786 -0.850
572 HA GLU 77 HA GLU 77 11.664 7.470 1.489
573 1HB GLU 77 1HB GLU 77 8.930 6.830 1.804
574 2HB GLU 77 2HB GLU 77 9.659 8.426 1.907
575 1HG GLU 77 1HG GLU 77 8.810 7.225 -0.706
576 2HG GLU 77 2HG GLU 77 7.703 8.134 0.322
577 H ASN 78 H ASN 78 12.478 5.327 0.062
578 HA ASN 78 HA ASN 78 11.760 2.991 -0.255
579 1HB ASN 78 1HB ASN 78 14.147 3.467 0.340
580 2HB ASN 78 2HB ASN 78 13.723 3.156 2.026
581 H HIS 79 H HIS 79 9.641 3.304 0.501
582 HA HIS 79 HA HIS 79 8.612 3.390 2.923
583 1HB HIS 79 1HB HIS 79 7.622 1.688 0.655
584 2HB HIS 79 2HB HIS 79 6.655 2.129 2.067
585 HD1 HIS 79 HD1 HIS 79 5.365 3.219 -0.266
586 HD2 HIS 79 HD2 HIS 79 8.667 5.074 1.401
587 HE1 HIS 79 HE1 HIS 79 5.355 5.590 -1.160
588 H THR 80 H THR 80 8.797 2.461 4.669
589 HA THR 80 HA THR 80 9.554 -0.377 4.809
590 HB THR 80 HB THR 80 10.590 0.070 6.849
591 HG1 THR 80 HG1 THR 80 9.751 1.367 8.266
592 1HG2 THR 80 1HG2 THR 80 11.254 1.689 4.745
593 2HG2 THR 80 2HG2 THR 80 11.045 2.837 6.065
594 3HG2 THR 80 3HG2 THR 80 12.184 1.499 6.231
595 H ALA 81 H ALA 81 6.931 1.646 5.012
596 HA ALA 81 HA ALA 81 5.139 -0.359 5.815
597 1HB ALA 81 1HB ALA 81 5.809 -0.091 8.055
598 2HB ALA 81 3HB ALA 81 5.905 1.664 7.904
599 3HB ALA 81 2HB ALA 81 4.333 0.863 7.912
600 H CYS 82 H CYS 82 3.062 0.228 5.223
601 HA CYS 82 HA CYS 82 2.655 3.047 4.486
602 1HB CYS 82 1HB CYS 82 2.375 0.625 2.802
603 2HB CYS 82 2HB CYS 82 1.093 1.821 2.654
604 H HIS 83 H HIS 83 0.965 3.894 5.507
605 HA HIS 83 HA HIS 83 -1.101 2.063 6.518
606 1HB HIS 83 1HB HIS 83 -1.567 3.690 8.249
607 2HB HIS 83 2HB HIS 83 0.145 3.282 8.250
608 HD1 HIS 83 HD1 HIS 83 -0.724 5.874 9.560
609 HD2 HIS 83 HD2 HIS 83 0.364 5.605 5.559
610 HE1 HIS 83 HE1 HIS 83 -0.042 8.199 8.890
611 HE2 HIS 83 HE2 HIS 83 0.601 8.016 6.461
612 H CYS 84 H CYS 84 -2.721 2.016 5.149
613 HA CYS 84 HA CYS 84 -3.546 4.277 3.573
614 1HB CYS 84 1HB CYS 84 -3.700 1.740 3.008
615 2HB CYS 84 2HB CYS 84 -5.185 1.786 3.951
616 H SER 85 H SER 85 -5.624 5.289 3.675
617 HA SER 85 HA SER 85 -7.567 6.028 4.671
618 1HB SER 85 1HB SER 85 -7.078 4.622 7.247
619 2HB SER 85 2HB SER 85 -8.580 4.840 6.348
620 HG SER 85 HG SER 85 -7.814 3.261 4.867
621 H THR 86 H THR 86 -5.112 7.369 4.724
622 HA THR 86 HA THR 86 -5.192 8.690 7.357
623 HB THR 86 HB THR 86 -3.029 7.504 6.503
624 HG1 THR 86 HG1 THR 86 -2.348 8.616 8.124
625 1HG2 THR 86 1HG2 THR 86 -3.237 8.980 4.314
626 2HG2 THR 86 2HG2 THR 86 -2.340 10.124 5.313
627 3HG2 THR 86 3HG2 THR 86 -1.677 8.520 4.998
628 H CYS 87 H CYS 87 -7.029 9.332 5.314
629 HA CYS 87 HA CYS 87 -6.241 12.111 4.821
630 1HB CYS 87 1HB CYS 87 -7.371 10.211 2.764
631 2HB CYS 87 2HB CYS 87 -7.365 11.959 2.563
632 H TYR 88 H TYR 88 -7.742 11.639 6.911
633 HA TYR 88 HA TYR 88 -9.748 11.980 7.938
634 1HB TYR 88 1HB TYR 88 -10.061 13.736 5.499
635 2HB TYR 88 2HB TYR 88 -11.170 13.758 6.866
636 HD1 TYR 88 HD1 TYR 88 -8.866 13.293 8.939
637 HD2 TYR 88 HD2 TYR 88 -9.444 16.062 5.760
638 HE1 TYR 88 HE1 TYR 88 -7.415 14.909 10.090
639 HE2 TYR 88 HE2 TYR 88 -7.993 17.685 6.904
640 HH TYR 88 HH TYR 88 -5.910 17.230 8.859
641 H TYR 89 H TYR 89 -12.295 12.232 7.292
642 HA TYR 89 HA TYR 89 -14.165 11.101 6.679
643 1HB TYR 89 1HB TYR 89 -12.578 11.319 4.327
644 2HB TYR 89 2HB TYR 89 -13.316 9.721 4.330
645 HD1 TYR 89 HD1 TYR 89 -14.297 13.260 5.050
646 HD2 TYR 89 HD2 TYR 89 -15.374 9.528 3.313
647 HE1 TYR 89 HE1 TYR 89 -16.412 14.242 4.268
648 HE2 TYR 89 HE2 TYR 89 -17.491 10.499 2.525
649 HH TYR 89 HH TYR 89 -18.973 12.722 3.503
650 H HIS 90 H HIS 90 -14.353 9.598 8.265
651 HA HIS 90 HA HIS 90 -13.334 6.912 7.634
652 1HB HIS 90 1HB HIS 90 -13.226 8.386 10.253
653 2HB HIS 90 2HB HIS 90 -13.214 6.626 10.202
654 HD1 HIS 90 HD1 HIS 90 -11.404 6.915 7.407
655 HD2 HIS 90 HD2 HIS 90 -10.558 8.190 11.270
656 HE1 HIS 90 HE1 HIS 90 -8.899 7.105 7.519
657 HE2 HIS 90 HE2 HIS 90 -8.419 7.977 9.833
658 H LYS 91 H LYS 91 -15.944 8.907 8.507
659 HA LYS 91 HA LYS 91 -17.575 6.675 9.450
660 1HB LYS 91 1HB LYS 91 -18.270 8.343 10.799
661 2HB LYS 91 2HB LYS 91 -17.643 9.590 9.732
662 1HG LYS 91 1HG LYS 91 -19.613 9.639 8.454
663 2HG LYS 91 2HG LYS 91 -20.189 8.116 9.135
664 1HD LYS 91 1HD LYS 91 -21.062 9.120 10.941
665 2HD LYS 91 2HD LYS 91 -19.677 10.198 11.127
666 1HE LYS 91 1HE LYS 91 -20.664 11.862 9.988
667 2HE LYS 91 2HE LYS 91 -21.345 10.766 8.787
668 1HZ LYS 91 1HZ LYS 91 -23.084 10.184 10.363
669 2HZ LYS 91 2HZ LYS 91 -22.430 11.240 11.511
670 3HZ LYS 91 3HZ LYS 91 -23.075 11.849 10.070
671 H SER 92 H SER 92 -18.791 5.554 8.082
672 HA SER 92 HA SER 92 -19.075 6.327 5.347
673 1HB SER 92 1HB SER 92 -20.581 4.114 6.746
674 2HB SER 92 2HB SER 92 -20.187 4.239 5.032
675 HG SER 92 HG SER 92 -17.906 4.370 6.299
No H/Q in entry = 675
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 0.835 -10.598 -4.218
2 H2 ALA 1 H2 ALA 1 0.675 -11.178 -2.611
3 H3 ALA 1 H3 ALA 1 0.371 -9.527 -2.963
4 HA ALA 1 HA ALA 1 2.476 -8.976 -2.959
5 1HB ALA 1 2HB ALA 1 3.429 -9.841 -1.110
6 2HB ALA 1 3HB ALA 1 1.897 -10.702 -0.969
7 3HB ALA 1 1HB ALA 1 3.296 -11.502 -1.688
8 HA PRO 2 HA PRO 2 4.825 -12.746 -5.095
9 1HB PRO 2 1HB PRO 2 2.442 -13.998 -6.350
10 2HB PRO 2 2HB PRO 2 3.867 -14.756 -5.630
11 1HG PRO 2 1HG PRO 2 1.520 -14.782 -4.365
12 2HG PRO 2 2HG PRO 2 3.039 -14.575 -3.472
13 1HD PRO 2 1HD PRO 2 0.997 -12.527 -4.241
14 2HD PRO 2 2HD PRO 2 1.930 -12.681 -2.738
15 H ASP 3 H ASP 3 5.589 -12.582 -7.187
16 HA ASP 3 HA ASP 3 4.533 -10.414 -8.740
17 1HB ASP 3 1HB ASP 3 7.028 -11.593 -8.428
18 2HB ASP 3 2HB ASP 3 6.559 -12.028 -10.069
19 H VAL 4 H VAL 4 3.759 -10.503 -10.875
20 HA VAL 4 HA VAL 4 2.181 -11.326 -12.345
21 HB VAL 4 HB VAL 4 4.468 -11.936 -13.251
22 1HG1 VAL 4 1HG1 VAL 4 4.920 -13.725 -11.602
23 2HG1 VAL 4 2HG1 VAL 4 3.675 -14.707 -12.372
24 3HG1 VAL 4 3HG1 VAL 4 5.121 -14.253 -13.272
25 1HG2 VAL 4 1HG2 VAL 4 2.116 -12.210 -14.362
26 2HG2 VAL 4 2HG2 VAL 4 3.551 -12.886 -15.134
27 3HG2 VAL 4 3HG2 VAL 4 2.471 -13.932 -14.213
28 H GLN 5 H GLN 5 1.826 -12.278 -9.581
29 HA GLN 5 HA GLN 5 0.278 -14.693 -10.210
30 1HB GLN 5 1HB GLN 5 2.543 -14.584 -8.519
31 2HB GLN 5 2HB GLN 5 1.142 -14.750 -7.470
32 1HG GLN 5 1HG GLN 5 2.351 -16.860 -8.367
33 2HG GLN 5 2HG GLN 5 0.590 -16.817 -8.301
34 2HE2 GLN 5 2HE2 GLN 5 3.388 -16.810 -10.345
35 1HE2 GLN 5 1HE2 GLN 5 2.554 -17.059 -11.838
36 H ASP 6 H ASP 6 -1.457 -13.136 -10.421
37 HA ASP 6 HA ASP 6 -3.466 -12.410 -9.583
38 1HB ASP 6 1HB ASP 6 -2.336 -12.768 -6.805
39 2HB ASP 6 2HB ASP 6 -4.031 -12.638 -7.265
40 H CYS 7 H CYS 7 -4.126 -10.640 -7.685
41 HA CYS 7 HA CYS 7 -2.470 -8.338 -8.388
42 1HB CYS 7 1HB CYS 7 -4.391 -7.202 -8.517
43 2HB CYS 7 2HB CYS 7 -5.230 -8.728 -8.270
44 HA PRO 8 HA PRO 8 -0.656 -8.315 -4.338
45 1HB PRO 8 1HB PRO 8 0.124 -5.553 -4.942
46 2HB PRO 8 2HB PRO 8 1.143 -6.971 -4.677
47 1HG PRO 8 1HG PRO 8 0.867 -5.835 -7.107
48 2HG PRO 8 2HG PRO 8 1.100 -7.581 -6.897
49 1HD PRO 8 1HD PRO 8 -1.420 -6.059 -7.449
50 2HD PRO 8 2HD PRO 8 -0.867 -7.606 -8.123
51 H GLU 9 H GLU 9 -2.682 -8.279 -3.204
52 HA GLU 9 HA GLU 9 -4.425 -6.214 -2.837
53 1HB GLU 9 1HB GLU 9 -5.144 -8.072 -1.731
54 2HB GLU 9 2HB GLU 9 -3.535 -8.496 -1.172
55 1HG GLU 9 1HG GLU 9 -4.143 -6.169 0.211
56 2HG GLU 9 2HG GLU 9 -5.656 -7.071 0.178
57 H CYS 10 H CYS 10 -3.874 -4.148 -2.562
58 HA CYS 10 HA CYS 10 -2.466 -2.374 -1.920
59 1HB CYS 10 1HB CYS 10 -4.509 -3.171 -0.091
60 2HB CYS 10 2HB CYS 10 -3.148 -2.553 0.839
61 H THR 11 H THR 11 -0.322 -3.104 -2.170
62 HA THR 11 HA THR 11 1.079 -3.446 0.349
63 HB THR 11 HB THR 11 0.728 -5.750 -0.183
64 HG1 THR 11 HG1 THR 11 2.751 -5.804 0.409
65 1HG2 THR 11 1HG2 THR 11 0.898 -4.886 -2.900
66 2HG2 THR 11 2HG2 THR 11 2.060 -6.180 -2.608
67 3HG2 THR 11 3HG2 THR 11 0.350 -6.432 -2.251
68 H LEU 12 H LEU 12 3.582 -4.041 -0.639
69 HA LEU 12 HA LEU 12 4.150 -1.611 -2.175
70 1HB LEU 12 1HB LEU 12 5.838 -3.315 -0.374
71 2HB LEU 12 2HB LEU 12 6.530 -2.091 -1.423
72 HG LEU 12 HG LEU 12 5.424 -0.328 -0.258
73 1HD1 LEU 12 1HD1 LEU 12 3.888 -2.538 1.086
74 2HD1 LEU 12 2HD1 LEU 12 3.922 -0.879 1.683
75 3HD1 LEU 12 3HD1 LEU 12 3.263 -1.227 0.085
76 1HD2 LEU 12 1HD2 LEU 12 6.487 -2.369 1.698
77 2HD2 LEU 12 2HD2 LEU 12 7.431 -1.171 0.813
78 3HD2 LEU 12 3HD2 LEU 12 6.268 -0.651 2.031
79 H GLN 13 H GLN 13 5.196 -1.617 -4.066
80 HA GLN 13 HA GLN 13 5.678 -4.253 -5.268
81 1HB GLN 13 1HB GLN 13 5.214 -1.640 -6.651
82 2HB GLN 13 2HB GLN 13 5.330 -3.229 -7.401
83 1HG GLN 13 1HG GLN 13 3.358 -3.632 -5.591
84 2HG GLN 13 2HG GLN 13 3.088 -1.946 -6.032
85 2HE2 GLN 13 2HE2 GLN 13 3.395 -5.209 -7.304
86 1HE2 GLN 13 1HE2 GLN 13 2.469 -4.942 -8.737
87 H GLU 14 H GLU 14 7.611 -3.740 -3.844
88 HA GLU 14 HA GLU 14 9.710 -2.423 -3.769
89 1HB GLU 14 1HB GLU 14 9.571 -5.111 -3.950
90 2HB GLU 14 2HB GLU 14 10.576 -4.743 -5.345
91 1HG GLU 14 1HG GLU 14 12.342 -4.150 -4.088
92 2HG GLU 14 2HG GLU 14 11.341 -3.351 -2.876
93 H ASN 15 H ASN 15 10.715 -0.964 -4.810
94 HA ASN 15 HA ASN 15 10.270 -0.185 -7.404
95 1HB ASN 15 1HB ASN 15 11.488 0.917 -5.323
96 2HB ASN 15 2HB ASN 15 12.901 0.462 -6.266
97 2HD2 ASN 15 2HD2 ASN 15 11.792 3.062 -5.587
98 1HD2 ASN 15 1HD2 ASN 15 11.528 3.878 -7.077
99 HA PRO 16 HA PRO 16 12.865 -3.182 -9.502
100 1HB PRO 16 1HB PRO 16 11.937 -2.743 -11.979
101 2HB PRO 16 2HB PRO 16 10.969 -3.603 -10.774
102 1HG PRO 16 1HG PRO 16 10.773 -0.768 -11.694
103 2HG PRO 16 2HG PRO 16 9.478 -1.910 -11.297
104 1HD PRO 16 1HD PRO 16 10.422 0.071 -9.604
105 2HD PRO 16 2HD PRO 16 9.543 -1.378 -9.081
106 H PHE 17 H PHE 17 13.295 -0.101 -9.081
107 HA PHE 17 HA PHE 17 15.350 0.210 -11.171
108 1HB PHE 17 1HB PHE 17 13.506 1.864 -11.361
109 2HB PHE 17 2HB PHE 17 13.830 2.388 -9.711
110 HD1 PHE 17 HD1 PHE 17 16.123 3.347 -9.195
111 HD2 PHE 17 HD2 PHE 17 14.666 2.797 -13.154
112 HE1 PHE 17 HE1 PHE 17 17.785 4.960 -10.025
113 HE2 PHE 17 HE2 PHE 17 16.324 4.410 -13.994
114 HZ PHE 17 HZ PHE 17 17.886 5.495 -12.428
115 H PHE 18 H PHE 18 14.458 1.303 -7.921
116 HA PHE 18 HA PHE 18 17.130 1.933 -7.161
117 1HB PHE 18 1HB PHE 18 14.682 2.626 -6.222
118 2HB PHE 18 2HB PHE 18 15.147 1.403 -5.046
119 HD1 PHE 18 HD1 PHE 18 17.563 1.663 -4.079
120 HD2 PHE 18 HD2 PHE 18 15.311 4.799 -5.855
121 HE1 PHE 18 HE1 PHE 18 18.952 3.318 -2.896
122 HE2 PHE 18 HE2 PHE 18 16.699 6.465 -4.685
123 HZ PHE 18 HZ PHE 18 18.518 5.725 -3.200
124 H SER 19 H SER 19 15.480 -0.974 -7.452
125 HA SER 19 HA SER 19 16.344 -2.445 -5.254
126 1HB SER 19 1HB SER 19 15.683 -4.357 -6.423
127 2HB SER 19 2HB SER 19 14.711 -3.091 -7.171
128 HG SER 19 HG SER 19 17.145 -4.159 -8.167
129 H GLN 20 H GLN 20 18.429 -2.206 -4.630
130 HA GLN 20 HA GLN 20 20.489 -3.122 -6.530
131 1HB GLN 20 1HB GLN 20 21.071 -1.252 -4.241
132 2HB GLN 20 2HB GLN 20 22.068 -1.602 -5.645
133 1HG GLN 20 1HG GLN 20 20.216 -0.514 -7.017
134 2HG GLN 20 2HG GLN 20 19.600 0.087 -5.481
135 2HE2 GLN 20 2HE2 GLN 20 22.743 -0.036 -4.891
136 1HE2 GLN 20 1HE2 GLN 20 23.240 1.530 -5.420
137 HA PRO 21 HA PRO 21 21.633 -6.475 -3.931
138 1HB PRO 21 1HB PRO 21 24.334 -5.195 -3.836
139 2HB PRO 21 2HB PRO 21 23.898 -6.873 -4.181
140 1HG PRO 21 1HG PRO 21 24.558 -5.200 -6.152
141 2HG PRO 21 2HG PRO 21 23.273 -6.404 -6.362
142 1HD PRO 21 1HD PRO 21 23.071 -3.463 -6.010
143 2HD PRO 21 2HD PRO 21 21.987 -4.578 -6.865
144 H GLY 22 H GLY 22 20.258 -5.294 -2.258
145 1HA GLY 22 1HA GLY 22 21.970 -4.282 -0.074
146 2HA GLY 22 2HA GLY 22 20.709 -5.468 0.218
147 H ALA 23 H ALA 23 19.431 -3.522 -2.084
148 HA ALA 23 HA ALA 23 17.748 -2.198 -0.178
149 1HB ALA 23 2HB ALA 23 19.830 -0.751 -0.315
150 2HB ALA 23 3HB ALA 23 18.294 0.060 -0.622
151 3HB ALA 23 1HB ALA 23 19.344 -0.381 -1.969
152 HA PRO 24 HA PRO 24 15.357 -2.710 -3.893
153 1HB PRO 24 1HB PRO 24 13.678 -4.455 -2.786
154 2HB PRO 24 2HB PRO 24 15.333 -4.919 -3.182
155 1HG PRO 24 1HG PRO 24 14.107 -4.518 -0.545
156 2HG PRO 24 2HG PRO 24 15.604 -5.364 -0.969
157 1HD PRO 24 1HD PRO 24 15.221 -2.611 -0.056
158 2HD PRO 24 2HD PRO 24 16.712 -3.577 -0.145
159 H ILE 25 H ILE 25 14.752 -0.411 -3.504
160 HA ILE 25 HA ILE 25 12.937 0.610 -1.815
161 HB ILE 25 HB ILE 25 13.394 1.135 -4.732
162 1HG1 ILE 25 1HG1 ILE 25 15.279 1.492 -3.280
163 2HG1 ILE 25 2HG1 ILE 25 14.602 3.062 -3.712
164 1HG2 ILE 25 1HG2 ILE 25 11.708 2.563 -2.697
165 2HG2 ILE 25 2HG2 ILE 25 12.370 3.390 -4.101
166 3HG2 ILE 25 3HG2 ILE 25 11.239 2.058 -4.318
167 1HD1 ILE 25 1HD1 ILE 25 13.273 2.919 -1.576
168 2HD1 ILE 25 2HD1 ILE 25 14.313 1.561 -1.145
169 3HD1 ILE 25 3HD1 ILE 25 15.013 3.153 -1.414
170 H LEU 26 H LEU 26 10.680 1.510 -2.792
171 HA LEU 26 HA LEU 26 9.116 -0.749 -3.764
172 1HB LEU 26 1HB LEU 26 7.881 0.554 -1.545
173 2HB LEU 26 2HB LEU 26 8.252 -1.152 -1.777
174 HG LEU 26 HG LEU 26 10.405 0.774 -1.090
175 1HD1 LEU 26 1HD1 LEU 26 8.264 0.716 0.513
176 2HD1 LEU 26 2HD1 LEU 26 9.107 -0.705 1.128
177 3HD1 LEU 26 3HD1 LEU 26 9.910 0.861 1.131
178 1HD2 LEU 26 1HD2 LEU 26 10.355 -1.929 -1.631
179 2HD2 LEU 26 2HD2 LEU 26 11.660 -1.054 -0.829
180 3HD2 LEU 26 3HD2 LEU 26 10.426 -1.872 0.129
181 H GLN 27 H GLN 27 6.742 0.131 -2.979
182 HA GLN 27 HA GLN 27 5.785 2.608 -3.396
183 1HB GLN 27 1HB GLN 27 6.950 2.860 -5.459
184 2HB GLN 27 2HB GLN 27 6.371 1.311 -6.050
185 1HG GLN 27 1HG GLN 27 4.487 3.552 -5.407
186 2HG GLN 27 2HG GLN 27 5.295 3.438 -6.970
187 2HE2 GLN 27 2HE2 GLN 27 2.460 2.977 -5.691
188 1HE2 GLN 27 1HE2 GLN 27 1.910 1.572 -6.533
189 H CYS 28 H CYS 28 4.198 1.816 -2.168
190 HA CYS 28 HA CYS 28 2.831 -0.437 -2.083
191 1HB CYS 28 1HB CYS 28 2.401 2.014 -0.997
192 2HB CYS 28 2HB CYS 28 0.990 1.862 -2.034
193 H MET 29 H MET 29 2.067 -1.698 -3.667
194 HA MET 29 HA MET 29 1.408 -1.047 -6.234
195 1HB MET 29 1HB MET 29 1.482 -3.354 -5.612
196 2HB MET 29 2HB MET 29 0.199 -3.144 -4.430
197 1HG MET 29 1HG MET 29 -0.266 -4.239 -6.760
198 2HG MET 29 2HG MET 29 -1.449 -3.175 -5.998
199 1HE MET 29 1HE MET 29 -2.480 -3.260 -8.351
200 2HE MET 29 2HE MET 29 -2.743 -1.615 -7.775
201 3HE MET 29 3HE MET 29 -2.218 -1.894 -9.436
202 H GLY 30 H GLY 30 -1.228 -1.836 -3.998
203 1HA GLY 30 1HA GLY 30 -2.656 0.563 -4.943
204 2HA GLY 30 2HA GLY 30 -2.918 -0.207 -3.388
205 H CYS 31 H CYS 31 -3.375 -2.760 -3.859
206 HA CYS 31 HA CYS 31 -5.681 -2.746 -5.692
207 1HB CYS 31 1HB CYS 31 -3.719 -4.132 -6.496
208 2HB CYS 31 2HB CYS 31 -3.978 -5.169 -5.097
209 H CYS 32 H CYS 32 -6.452 -1.954 -3.441
210 HA CYS 32 HA CYS 32 -6.852 -3.995 -1.456
211 1HB CYS 32 1HB CYS 32 -6.772 -1.264 -1.395
212 2HB CYS 32 2HB CYS 32 -8.501 -1.574 -1.281
213 H PHE 33 H PHE 33 -8.059 -4.296 -4.215
214 HA PHE 33 HA PHE 33 -9.991 -5.060 -5.151
215 1HB PHE 33 1HB PHE 33 -10.667 -5.701 -2.270
216 2HB PHE 33 2HB PHE 33 -11.463 -6.379 -3.687
217 HD1 PHE 33 HD1 PHE 33 -10.137 -7.826 -5.243
218 HD2 PHE 33 HD2 PHE 33 -8.682 -6.630 -1.429
219 HE1 PHE 33 HE1 PHE 33 -8.489 -9.648 -5.307
220 HE2 PHE 33 HE2 PHE 33 -7.026 -8.449 -1.486
221 HZ PHE 33 HZ PHE 33 -6.929 -9.963 -3.426
222 H SER 34 H SER 34 -12.291 -4.652 -5.414
223 HA SER 34 HA SER 34 -13.876 -2.991 -3.894
224 1HB SER 34 1HB SER 34 -13.403 -0.824 -4.387
225 2HB SER 34 2HB SER 34 -11.798 -1.459 -4.747
226 HG SER 34 HG SER 34 -13.505 -0.264 -6.394
227 H ARG 35 H ARG 35 -14.272 -5.199 -5.440
228 HA ARG 35 HA ARG 35 -16.018 -5.969 -6.727
229 1HB ARG 35 1HB ARG 35 -16.370 -3.241 -7.941
230 2HB ARG 35 2HB ARG 35 -17.545 -4.539 -7.800
231 1HG ARG 35 1HG ARG 35 -16.590 -3.642 -5.212
232 2HG ARG 35 2HG ARG 35 -17.321 -2.339 -6.154
233 1HD ARG 35 1HD ARG 35 -18.559 -4.963 -5.352
234 2HD ARG 35 2HD ARG 35 -19.059 -3.341 -4.878
235 HE ARG 35 HE ARG 35 -19.160 -3.836 -7.719
236 1HH1 ARG 35 1HH1 ARG 35 -20.882 -4.002 -4.697
237 2HH1 ARG 35 2HH1 ARG 35 -22.447 -3.971 -5.439
238 1HH2 ARG 35 1HH2 ARG 35 -21.214 -3.807 -8.708
239 2HH2 ARG 35 2HH2 ARG 35 -22.636 -3.862 -7.721
240 H ALA 36 H ALA 36 -16.612 -5.448 -9.362
241 HA ALA 36 HA ALA 36 -13.998 -5.859 -10.660
242 1HB ALA 36 2HB ALA 36 -15.378 -7.856 -10.692
243 2HB ALA 36 1HB ALA 36 -16.698 -6.954 -11.438
244 3HB ALA 36 3HB ALA 36 -15.195 -7.212 -12.323
245 H TYR 37 H TYR 37 -13.376 -4.232 -11.909
246 HA TYR 37 HA TYR 37 -13.439 -2.313 -13.153
247 1HB TYR 37 1HB TYR 37 -13.912 -3.854 -14.923
248 2HB TYR 37 2HB TYR 37 -15.599 -3.986 -14.443
249 HD1 TYR 37 HD1 TYR 37 -14.236 -0.659 -14.308
250 HD2 TYR 37 HD2 TYR 37 -16.072 -3.507 -16.883
251 HE1 TYR 37 HE1 TYR 37 -14.813 1.141 -15.880
252 HE2 TYR 37 HE2 TYR 37 -16.653 -1.713 -18.461
253 HH TYR 37 HH TYR 37 -15.423 1.516 -18.108
254 HA PRO 38 HA PRO 38 -16.548 -0.260 -10.411
255 1HB PRO 38 1HB PRO 38 -15.299 2.172 -11.269
256 2HB PRO 38 2HB PRO 38 -15.187 1.394 -9.690
257 1HG PRO 38 1HG PRO 38 -13.314 1.296 -11.974
258 2HG PRO 38 2HG PRO 38 -12.998 1.063 -10.247
259 1HD PRO 38 1HD PRO 38 -12.965 -0.991 -11.983
260 2HD PRO 38 2HD PRO 38 -13.564 -1.186 -10.321
261 H THR 39 H THR 39 -18.480 0.457 -11.074
262 HA THR 39 HA THR 39 -18.743 1.853 -13.588
263 HB THR 39 HB THR 39 -19.777 -0.883 -13.095
264 HG1 THR 39 HG1 THR 39 -18.085 -0.695 -14.504
265 1HG2 THR 39 1HG2 THR 39 -21.550 1.125 -13.906
266 2HG2 THR 39 2HG2 THR 39 -21.093 0.252 -15.367
267 3HG2 THR 39 3HG2 THR 39 -21.776 -0.621 -13.996
268 HA PRO 40 HA PRO 40 -22.935 2.179 -11.265
269 1HB PRO 40 1HB PRO 40 -23.184 0.678 -9.001
270 2HB PRO 40 2HB PRO 40 -23.647 0.101 -10.606
271 1HG PRO 40 1HG PRO 40 -21.156 -0.440 -9.040
272 2HG PRO 40 2HG PRO 40 -22.118 -1.548 -10.034
273 1HD PRO 40 1HD PRO 40 -19.801 -0.416 -10.913
274 2HD PRO 40 2HD PRO 40 -21.138 -0.826 -12.002
275 H LEU 41 H LEU 41 -21.659 4.158 -10.883
276 HA LEU 41 HA LEU 41 -20.556 4.492 -8.211
277 1HB LEU 41 1HB LEU 41 -20.617 6.173 -10.693
278 2HB LEU 41 2HB LEU 41 -20.216 6.896 -9.147
279 HG LEU 41 HG LEU 41 -18.219 5.702 -8.957
280 1HD1 LEU 41 1HD1 LEU 41 -19.530 3.775 -10.807
281 2HD1 LEU 41 2HD1 LEU 41 -17.769 3.855 -10.770
282 3HD1 LEU 41 3HD1 LEU 41 -18.667 3.483 -9.298
283 1HD2 LEU 41 1HD2 LEU 41 -18.494 7.356 -10.985
284 2HD2 LEU 41 2HD2 LEU 41 -17.012 6.424 -10.765
285 3HD2 LEU 41 3HD2 LEU 41 -18.224 5.890 -11.929
286 H ARG 42 H ARG 42 -23.196 5.757 -10.194
287 HA ARG 42 HA ARG 42 -24.394 7.740 -9.094
288 1HB ARG 42 1HB ARG 42 -26.610 6.377 -8.972
289 2HB ARG 42 2HB ARG 42 -25.798 6.587 -10.516
290 1HG ARG 42 1HG ARG 42 -25.852 4.390 -10.762
291 2HG ARG 42 2HG ARG 42 -24.704 4.263 -9.426
292 1HD ARG 42 1HD ARG 42 -27.634 3.821 -9.473
293 2HD ARG 42 2HD ARG 42 -26.374 2.952 -8.601
294 HE ARG 42 HE ARG 42 -26.315 4.881 -7.056
295 1HH1 ARG 42 1HH1 ARG 42 -29.159 4.367 -9.013
296 2HH1 ARG 42 2HH1 ARG 42 -30.214 5.192 -7.917
297 1HH2 ARG 42 1HH2 ARG 42 -27.701 5.975 -5.619
298 2HH2 ARG 42 2HH2 ARG 42 -29.387 6.107 -5.991
299 H SER 43 H SER 43 -24.977 8.589 -7.209
300 HA SER 43 HA SER 43 -25.989 7.198 -4.999
301 1HB SER 43 1HB SER 43 -23.740 7.899 -3.624
302 2HB SER 43 2HB SER 43 -24.066 6.273 -4.226
303 HG SER 43 HG SER 43 -21.985 7.106 -4.832
304 H LYS 44 H LYS 44 -27.200 9.217 -5.757
305 HA LYS 44 HA LYS 44 -26.134 11.757 -4.961
306 1HB LYS 44 1HB LYS 44 -28.098 11.011 -6.684
307 2HB LYS 44 2HB LYS 44 -29.055 11.514 -5.297
308 1HG LYS 44 1HG LYS 44 -26.906 13.365 -6.049
309 2HG LYS 44 2HG LYS 44 -28.187 13.173 -7.249
310 1HD LYS 44 1HD LYS 44 -29.761 14.130 -5.922
311 2HD LYS 44 2HD LYS 44 -29.035 13.515 -4.435
312 1HE LYS 44 1HE LYS 44 -27.882 15.398 -4.110
313 2HE LYS 44 2HE LYS 44 -27.318 15.427 -5.780
314 1HZ LYS 44 1HZ LYS 44 -30.035 16.296 -4.969
315 2HZ LYS 44 2HZ LYS 44 -28.723 17.355 -5.094
316 3HZ LYS 44 3HZ LYS 44 -29.280 16.533 -6.464
317 H LYS 45 H LYS 45 -28.079 9.282 -3.480
318 HA LYS 45 HA LYS 45 -28.037 10.820 -0.990
319 1HB LYS 45 1HB LYS 45 -30.467 9.541 -2.232
320 2HB LYS 45 2HB LYS 45 -30.380 9.947 -0.523
321 1HG LYS 45 1HG LYS 45 -29.593 12.198 -2.128
322 2HG LYS 45 2HG LYS 45 -31.174 11.598 -2.630
323 1HD LYS 45 1HD LYS 45 -31.611 13.183 -0.942
324 2HD LYS 45 2HD LYS 45 -31.794 11.610 -0.166
325 1HE LYS 45 1HE LYS 45 -30.524 13.288 1.180
326 2HE LYS 45 2HE LYS 45 -29.652 11.788 0.871
327 1HZ LYS 45 1HZ LYS 45 -29.304 14.246 -0.755
328 2HZ LYS 45 2HZ LYS 45 -28.326 13.858 0.571
329 3HZ LYS 45 3HZ LYS 45 -28.350 12.849 -0.787
330 H THR 46 H THR 46 -26.214 9.289 -0.740
331 HA THR 46 HA THR 46 -26.936 6.515 -0.266
332 HB THR 46 HB THR 46 -24.331 6.739 0.536
333 HG1 THR 46 HG1 THR 46 -23.497 8.092 -1.296
334 1HG2 THR 46 1HG2 THR 46 -25.620 5.481 -1.500
335 2HG2 THR 46 2HG2 THR 46 -24.557 6.585 -2.371
336 3HG2 THR 46 3HG2 THR 46 -23.880 5.436 -1.217
337 H MET 47 H MET 47 -26.439 9.437 1.498
338 HA MET 47 HA MET 47 -26.078 9.824 3.768
339 1HB MET 47 1HB MET 47 -28.261 8.447 4.809
340 2HB MET 47 2HB MET 47 -28.257 10.094 4.191
341 1HG MET 47 1HG MET 47 -28.970 9.363 2.035
342 2HG MET 47 2HG MET 47 -28.765 7.671 2.486
343 1HE MET 47 1HE MET 47 -29.766 6.699 4.459
344 2HE MET 47 2HE MET 47 -31.324 7.107 5.179
345 3HE MET 47 3HE MET 47 -31.261 6.282 3.622
346 H LEU 48 H LEU 48 -24.202 8.720 4.347
347 HA LEU 48 HA LEU 48 -24.410 5.942 5.160
348 1HB LEU 48 1HB LEU 48 -22.057 5.933 5.344
349 2HB LEU 48 2HB LEU 48 -22.437 6.850 3.899
350 HG LEU 48 HG LEU 48 -22.058 8.402 6.398
351 1HD1 LEU 48 1HD1 LEU 48 -19.826 6.998 4.949
352 2HD1 LEU 48 2HD1 LEU 48 -19.590 8.388 6.009
353 3HD1 LEU 48 3HD1 LEU 48 -20.244 6.885 6.659
354 1HD2 LEU 48 1HD2 LEU 48 -22.173 8.859 3.597
355 2HD2 LEU 48 2HD2 LEU 48 -22.014 10.036 4.902
356 3HD2 LEU 48 3HD2 LEU 48 -20.572 9.329 4.170
357 H VAL 49 H VAL 49 -24.748 5.276 7.137
358 HA VAL 49 HA VAL 49 -23.717 6.244 9.491
359 HB VAL 49 HB VAL 49 -25.739 7.990 8.565
360 1HG1 VAL 49 1HG1 VAL 49 -27.285 6.266 9.600
361 2HG1 VAL 49 2HG1 VAL 49 -26.600 6.734 11.157
362 3HG1 VAL 49 3HG1 VAL 49 -27.456 7.925 10.175
363 1HG2 VAL 49 1HG2 VAL 49 -23.610 8.163 10.159
364 2HG2 VAL 49 2HG2 VAL 49 -24.898 9.368 10.165
365 3HG2 VAL 49 3HG2 VAL 49 -24.867 8.104 11.395
366 H GLN 50 H GLN 50 -25.238 4.074 7.789
367 HA GLN 50 HA GLN 50 -26.223 2.624 10.139
368 1HB GLN 50 1HB GLN 50 -27.633 3.040 7.517
369 2HB GLN 50 2HB GLN 50 -27.956 1.613 8.491
370 1HG GLN 50 1HG GLN 50 -28.556 4.477 9.074
371 2HG GLN 50 2HG GLN 50 -29.619 3.073 9.139
372 2HE2 GLN 50 2HE2 GLN 50 -28.136 5.284 10.989
373 1HE2 GLN 50 1HE2 GLN 50 -27.971 4.395 12.461
374 H LYS 51 H LYS 51 -26.157 0.285 9.892
375 HA LYS 51 HA LYS 51 -25.374 -1.707 9.017
376 1HB LYS 51 1HB LYS 51 -23.863 -0.233 6.881
377 2HB LYS 51 2HB LYS 51 -24.496 -1.873 6.850
378 1HG LYS 51 1HG LYS 51 -26.641 0.004 7.185
379 2HG LYS 51 2HG LYS 51 -25.660 0.436 5.783
380 1HD LYS 51 1HD LYS 51 -26.434 -2.416 6.154
381 2HD LYS 51 2HD LYS 51 -27.658 -1.277 5.589
382 1HE LYS 51 1HE LYS 51 -26.836 -1.729 3.552
383 2HE LYS 51 2HE LYS 51 -25.540 -0.625 4.012
384 1HZ LYS 51 1HZ LYS 51 -25.011 -3.225 4.993
385 2HZ LYS 51 2HZ LYS 51 -25.303 -3.291 3.328
386 3HZ LYS 51 3HZ LYS 51 -24.091 -2.280 3.934
387 H ASN 52 H ASN 52 -23.487 -2.878 9.401
388 HA ASN 52 HA ASN 52 -21.561 -1.571 11.051
389 1HB ASN 52 1HB ASN 52 -20.481 -3.846 11.094
390 2HB ASN 52 2HB ASN 52 -22.168 -3.818 11.600
391 2HD2 ASN 52 2HD2 ASN 52 -23.767 -4.561 10.123
392 1HD2 ASN 52 1HD2 ASN 52 -23.359 -5.692 8.885
393 H VAL 53 H VAL 53 -19.289 -1.488 10.741
394 HA VAL 53 HA VAL 53 -17.680 -0.418 9.408
395 HB VAL 53 HB VAL 53 -16.763 -2.494 7.927
396 1HG1 VAL 53 1HG1 VAL 53 -15.809 -1.157 9.932
397 2HG1 VAL 53 2HG1 VAL 53 -16.368 -2.528 10.892
398 3HG1 VAL 53 3HG1 VAL 53 -15.190 -2.776 9.603
399 1HG2 VAL 53 1HG2 VAL 53 -18.670 -3.589 9.948
400 2HG2 VAL 53 2HG2 VAL 53 -18.352 -4.123 8.298
401 3HG2 VAL 53 3HG2 VAL 53 -17.190 -4.474 9.577
402 H THR 54 H THR 54 -18.140 1.033 7.886
403 HA THR 54 HA THR 54 -19.471 0.208 5.424
404 HB THR 54 HB THR 54 -18.967 2.899 5.165
405 HG1 THR 54 HG1 THR 54 -18.633 3.718 7.049
406 1HG2 THR 54 1HG2 THR 54 -21.296 1.375 6.224
407 2HG2 THR 54 2HG2 THR 54 -21.311 3.138 6.267
408 3HG2 THR 54 3HG2 THR 54 -21.133 2.296 4.728
409 H SER 55 H SER 55 -16.610 2.166 6.288
410 HA SER 55 HA SER 55 -14.714 2.652 5.105
411 1HB SER 55 1HB SER 55 -13.369 0.767 4.641
412 2HB SER 55 2HB SER 55 -14.444 0.235 5.936
413 HG SER 55 HG SER 55 -15.807 -0.584 4.153
414 H GLU 56 H GLU 56 -15.977 3.945 3.562
415 HA GLU 56 HA GLU 56 -16.262 2.691 0.921
416 1HB GLU 56 1HB GLU 56 -18.219 3.908 1.915
417 2HB GLU 56 2HB GLU 56 -17.281 5.392 1.813
418 1HG GLU 56 1HG GLU 56 -17.130 4.319 -0.735
419 2HG GLU 56 2HG GLU 56 -18.788 4.007 -0.226
420 H SER 57 H SER 57 -13.753 3.749 2.313
421 HA SER 57 HA SER 57 -12.643 4.979 -0.046
422 1HB SER 57 1HB SER 57 -13.436 7.002 0.926
423 2HB SER 57 2HB SER 57 -12.906 6.520 2.538
424 HG SER 57 HG SER 57 -11.174 7.011 0.340
425 H THR 58 H THR 58 -11.551 2.886 0.186
426 HA THR 58 HA THR 58 -9.801 2.387 2.380
427 HB THR 58 HB THR 58 -8.801 0.705 0.690
428 HG1 THR 58 HG1 THR 58 -9.557 1.626 -1.203
429 1HG2 THR 58 1HG2 THR 58 -11.385 0.667 2.027
430 2HG2 THR 58 2HG2 THR 58 -11.276 -0.435 0.656
431 3HG2 THR 58 3HG2 THR 58 -10.110 -0.550 1.974
432 H CYS 59 H CYS 59 -7.419 2.151 2.133
433 HA CYS 59 HA CYS 59 -5.916 3.313 0.117
434 1HB CYS 59 1HB CYS 59 -5.592 5.531 0.630
435 2HB CYS 59 2HB CYS 59 -7.275 5.343 1.106
436 H CYS 60 H CYS 60 -3.964 2.508 0.373
437 HA CYS 60 HA CYS 60 -2.951 2.023 3.106
438 1HB CYS 60 1HB CYS 60 -1.469 0.296 1.963
439 2HB CYS 60 2HB CYS 60 -3.179 -0.103 2.068
440 H VAL 61 H VAL 61 -2.726 4.494 2.024
441 HA VAL 61 HA VAL 61 -0.410 5.033 0.543
442 HB VAL 61 HB VAL 61 -0.469 7.293 1.563
443 1HG1 VAL 61 1HG1 VAL 61 -3.134 6.199 0.669
444 2HG1 VAL 61 2HG1 VAL 61 -2.734 7.914 0.776
445 3HG1 VAL 61 3HG1 VAL 61 -1.867 6.875 -0.355
446 1HG2 VAL 61 1HG2 VAL 61 -2.320 5.917 3.438
447 2HG2 VAL 61 2HG2 VAL 61 -1.097 7.148 3.754
448 3HG2 VAL 61 3HG2 VAL 61 -2.641 7.604 3.034
449 H ALA 62 H ALA 62 0.959 3.351 1.498
450 HA ALA 62 HA ALA 62 2.227 2.473 3.282
451 1HB ALA 62 1HB ALA 62 3.692 4.984 2.548
452 2HB ALA 62 2HB ALA 62 4.372 3.450 3.094
453 3HB ALA 62 3HB ALA 62 3.596 3.556 1.515
454 H LYS 63 H LYS 63 1.541 2.437 5.286
455 HA LYS 63 HA LYS 63 0.741 4.518 6.923
456 1HB LYS 63 1HB LYS 63 0.434 2.075 7.299
457 2HB LYS 63 2HB LYS 63 2.124 1.968 7.759
458 1HG LYS 63 1HG LYS 63 0.732 2.029 9.716
459 2HG LYS 63 2HG LYS 63 1.690 3.506 9.616
460 1HD LYS 63 1HD LYS 63 -0.215 4.636 9.871
461 2HD LYS 63 2HD LYS 63 -0.653 4.102 8.246
462 1HE LYS 63 1HE LYS 63 -1.920 2.305 9.059
463 2HE LYS 63 2HE LYS 63 -1.180 2.395 10.658
464 1HZ LYS 63 1HZ LYS 63 -2.945 4.498 9.523
465 2HZ LYS 63 2HZ LYS 63 -3.477 3.274 10.561
466 3HZ LYS 63 3HZ LYS 63 -2.351 4.413 11.104
467 H SER 64 H SER 64 3.820 3.233 6.115
468 HA SER 64 HA SER 64 5.173 5.490 7.338
469 1HB SER 64 1HB SER 64 5.175 3.381 8.870
470 2HB SER 64 2HB SER 64 6.323 2.739 7.698
471 HG SER 64 HG SER 64 6.648 5.242 8.982
472 H TYR 65 H TYR 65 7.224 5.911 6.308
473 HA TYR 65 HA TYR 65 7.693 4.308 3.891
474 1HB TYR 65 1HB TYR 65 8.305 6.636 2.843
475 2HB TYR 65 2HB TYR 65 6.636 6.080 2.866
476 HD1 TYR 65 HD1 TYR 65 5.070 6.985 4.585
477 HD2 TYR 65 HD2 TYR 65 8.963 8.591 4.002
478 HE1 TYR 65 HE1 TYR 65 4.398 9.025 5.782
479 HE2 TYR 65 HE2 TYR 65 8.304 10.640 5.198
480 HH TYR 65 HH TYR 65 5.156 10.920 6.766
481 H ASN 66 H ASN 66 9.740 4.774 2.843
482 HA ASN 66 HA ASN 66 11.772 5.837 4.668
483 1HB ASN 66 1HB ASN 66 11.963 3.503 5.046
484 2HB ASN 66 2HB ASN 66 11.816 3.150 3.332
485 2HD2 ASN 66 2HD2 ASN 66 13.831 5.376 5.219
486 1HD2 ASN 66 1HD2 ASN 66 15.339 4.830 4.578
487 H ARG 67 H ARG 67 10.325 6.664 2.452
488 HA ARG 67 HA ARG 67 10.846 6.931 0.011
489 1HB ARG 67 1HB ARG 67 11.343 9.457 0.254
490 2HB ARG 67 2HB ARG 67 9.834 8.822 0.892
491 1HG ARG 67 1HG ARG 67 10.551 8.960 3.086
492 2HG ARG 67 2HG ARG 67 12.249 9.072 2.623
493 1HD ARG 67 1HD ARG 67 10.529 11.213 1.576
494 2HD ARG 67 2HD ARG 67 10.698 11.188 3.329
495 HE ARG 67 HE ARG 67 13.002 11.291 1.491
496 1HH1 ARG 67 1HH1 ARG 67 11.350 12.339 4.385
497 2HH1 ARG 67 2HH1 ARG 67 12.649 13.358 4.904
498 1HH2 ARG 67 1HH2 ARG 67 14.709 12.630 2.180
499 2HH2 ARG 67 2HH2 ARG 67 14.553 13.524 3.657
500 H VAL 68 H VAL 68 12.352 6.952 -1.475
501 HA VAL 68 HA VAL 68 15.092 7.718 -0.819
502 HB VAL 68 HB VAL 68 16.104 5.762 -1.614
503 1HG1 VAL 68 1HG1 VAL 68 14.509 5.577 0.525
504 2HG1 VAL 68 2HG1 VAL 68 13.788 4.323 -0.480
505 3HG1 VAL 68 3HG1 VAL 68 15.496 4.236 -0.055
506 1HG2 VAL 68 1HG2 VAL 68 14.309 5.669 -3.575
507 2HG2 VAL 68 2HG2 VAL 68 15.269 4.267 -3.119
508 3HG2 VAL 68 3HG2 VAL 68 13.612 4.430 -2.543
509 H THR 69 H THR 69 13.315 9.232 -2.193
510 HA THR 69 HA THR 69 12.669 9.468 -4.610
511 HB THR 69 HB THR 69 14.885 11.209 -3.549
512 HG1 THR 69 HG1 THR 69 13.132 11.585 -2.352
513 1HG2 THR 69 1HG2 THR 69 14.209 11.111 -6.177
514 2HG2 THR 69 2HG2 THR 69 13.087 12.326 -5.566
515 3HG2 THR 69 3HG2 THR 69 14.823 12.538 -5.344
516 H VAL 70 H VAL 70 13.121 8.557 -6.476
517 HA VAL 70 HA VAL 70 15.932 8.018 -7.166
518 HB VAL 70 HB VAL 70 14.066 6.505 -8.759
519 1HG1 VAL 70 1HG1 VAL 70 16.460 5.950 -7.057
520 2HG1 VAL 70 2HG1 VAL 70 15.497 4.620 -7.701
521 3HG1 VAL 70 3HG1 VAL 70 16.255 5.772 -8.800
522 1HG2 VAL 70 1HG2 VAL 70 13.716 6.445 -5.805
523 2HG2 VAL 70 2HG2 VAL 70 12.529 6.220 -7.089
524 3HG2 VAL 70 3HG2 VAL 70 13.647 4.917 -6.684
525 H MET 71 H MET 71 15.699 7.316 -9.719
526 HA MET 71 HA MET 71 16.123 8.497 -11.672
527 1HB MET 71 1HB MET 71 13.210 9.008 -11.833
528 2HB MET 71 2HB MET 71 14.275 8.206 -12.980
529 1HG MET 71 1HG MET 71 14.127 6.601 -10.659
530 2HG MET 71 2HG MET 71 12.490 7.073 -11.106
531 1HE MET 71 1HE MET 71 11.463 5.194 -11.650
532 2HE MET 71 2HE MET 71 11.181 5.694 -13.317
533 3HE MET 71 3HE MET 71 11.778 4.070 -12.972
534 H GLY 72 H GLY 72 13.853 10.414 -12.546
535 1HA GLY 72 1HA GLY 72 13.709 12.688 -12.757
536 2HA GLY 72 2HA GLY 72 15.256 12.799 -11.933
537 H GLY 73 H GLY 73 13.649 11.080 -9.794
538 1HA GLY 73 1HA GLY 73 12.307 13.392 -8.552
539 2HA GLY 73 2HA GLY 73 13.413 12.374 -7.639
540 H PHE 74 H PHE 74 12.777 9.881 -8.166
541 HA PHE 74 HA PHE 74 9.882 9.568 -7.969
542 1HB PHE 74 1HB PHE 74 12.127 7.603 -8.378
543 2HB PHE 74 2HB PHE 74 10.465 7.099 -8.081
544 HD1 PHE 74 HD1 PHE 74 11.647 9.969 -10.117
545 HD2 PHE 74 HD2 PHE 74 9.860 6.107 -10.103
546 HE1 PHE 74 HE1 PHE 74 11.138 10.203 -12.511
547 HE2 PHE 74 HE2 PHE 74 9.350 6.332 -12.500
548 HZ PHE 74 HZ PHE 74 9.988 8.382 -13.707
549 H LYS 75 H LYS 75 9.091 9.803 -6.011
550 HA LYS 75 HA LYS 75 10.625 8.904 -3.695
551 1HB LYS 75 1HB LYS 75 8.159 10.619 -3.949
552 2HB LYS 75 2HB LYS 75 8.817 10.094 -2.404
553 1HG LYS 75 1HG LYS 75 10.895 11.253 -2.864
554 2HG LYS 75 2HG LYS 75 10.298 11.730 -4.454
555 1HD LYS 75 1HD LYS 75 9.997 13.604 -3.049
556 2HD LYS 75 2HD LYS 75 8.399 12.883 -3.251
557 1HE LYS 75 1HE LYS 75 9.441 11.592 -1.037
558 2HE LYS 75 2HE LYS 75 9.986 13.257 -0.847
559 1HZ LYS 75 1HZ LYS 75 7.168 12.583 -1.449
560 2HZ LYS 75 2HZ LYS 75 7.751 12.671 0.137
561 3HZ LYS 75 3HZ LYS 75 7.794 14.040 -0.856
562 H VAL 76 H VAL 76 10.397 6.784 -3.479
563 HA VAL 76 HA VAL 76 7.841 5.469 -3.745
564 HB VAL 76 HB VAL 76 9.182 3.380 -3.121
565 1HG1 VAL 76 1HG1 VAL 76 9.039 4.599 -5.519
566 2HG1 VAL 76 2HG1 VAL 76 10.775 4.751 -5.246
567 3HG1 VAL 76 3HG1 VAL 76 10.017 3.159 -5.244
568 1HG2 VAL 76 1HG2 VAL 76 10.863 5.458 -2.157
569 2HG2 VAL 76 2HG2 VAL 76 11.106 3.720 -2.047
570 3HG2 VAL 76 3HG2 VAL 76 11.757 4.619 -3.417
571 H GLU 77 H GLU 77 8.857 7.368 -1.595
572 HA GLU 77 HA GLU 77 9.000 7.410 0.757
573 1HB GLU 77 1HB GLU 77 6.369 7.182 -0.292
574 2HB GLU 77 2HB GLU 77 6.424 6.166 1.138
575 1HG GLU 77 1HG GLU 77 5.876 8.059 2.188
576 2HG GLU 77 2HG GLU 77 7.606 8.386 2.087
577 H ASN 78 H ASN 78 10.216 5.300 -0.387
578 HA ASN 78 HA ASN 78 10.098 2.874 -0.350
579 1HB ASN 78 1HB ASN 78 12.301 3.926 0.136
580 2HB ASN 78 2HB ASN 78 11.927 3.812 1.856
581 H HIS 79 H HIS 79 7.930 2.838 0.359
582 HA HIS 79 HA HIS 79 6.805 2.918 2.713
583 1HB HIS 79 1HB HIS 79 6.395 0.746 0.683
584 2HB HIS 79 2HB HIS 79 5.265 1.128 1.989
585 HD1 HIS 79 HD1 HIS 79 3.938 1.548 -0.555
586 HD2 HIS 79 HD2 HIS 79 6.547 4.357 1.005
587 HE1 HIS 79 HE1 HIS 79 3.405 3.724 -1.737
588 H THR 80 H THR 80 7.093 2.264 4.576
589 HA THR 80 HA THR 80 8.429 -0.315 5.045
590 HB THR 80 HB THR 80 9.505 0.561 6.862
591 HG1 THR 80 HG1 THR 80 8.645 2.290 8.102
592 1HG2 THR 80 1HG2 THR 80 8.909 2.949 5.148
593 2HG2 THR 80 2HG2 THR 80 10.008 3.013 6.527
594 3HG2 THR 80 3HG2 THR 80 10.359 1.946 5.168
595 H ALA 81 H ALA 81 5.447 1.192 5.074
596 HA ALA 81 HA ALA 81 4.161 -1.026 6.272
597 1HB ALA 81 1HB ALA 81 4.983 0.245 8.291
598 2HB ALA 81 2HB ALA 81 3.245 -0.041 8.228
599 3HB ALA 81 3HB ALA 81 3.891 1.546 7.815
600 H CYS 82 H CYS 82 2.341 -1.216 5.096
601 HA CYS 82 HA CYS 82 1.051 1.249 4.091
602 1HB CYS 82 1HB CYS 82 1.742 -1.290 2.738
603 2HB CYS 82 2HB CYS 82 0.146 -0.642 2.377
604 H HIS 83 H HIS 83 -0.916 1.568 4.981
605 HA HIS 83 HA HIS 83 -2.442 -0.799 5.837
606 1HB HIS 83 1HB HIS 83 -2.399 1.870 7.239
607 2HB HIS 83 2HB HIS 83 -3.299 0.437 7.740
608 HD1 HIS 83 HD1 HIS 83 -2.091 -0.121 9.890
609 HD2 HIS 83 HD2 HIS 83 0.457 0.468 6.665
610 HE1 HIS 83 HE1 HIS 83 0.172 -0.877 10.688
611 HE2 HIS 83 HE2 HIS 83 1.654 -0.699 8.657
612 H CYS 84 H CYS 84 -4.231 -1.067 4.765
613 HA CYS 84 HA CYS 84 -5.394 1.038 3.192
614 1HB CYS 84 1HB CYS 84 -5.259 -1.639 2.885
615 2HB CYS 84 2HB CYS 84 -6.868 -1.499 3.586
616 H SER 85 H SER 85 -6.889 2.420 3.864
617 HA SER 85 HA SER 85 -9.254 1.973 5.079
618 1HB SER 85 1HB SER 85 -8.261 0.985 7.018
619 2HB SER 85 2HB SER 85 -7.101 2.303 7.175
620 HG SER 85 HG SER 85 -8.839 2.514 8.645
621 H THR 86 H THR 86 -10.373 3.887 5.668
622 HA THR 86 HA THR 86 -9.940 6.133 4.283
623 HB THR 86 HB THR 86 -10.873 6.348 7.138
624 HG1 THR 86 HG1 THR 86 -12.362 4.966 6.697
625 1HG2 THR 86 1HG2 THR 86 -11.125 7.984 4.749
626 2HG2 THR 86 2HG2 THR 86 -12.670 7.631 5.523
627 3HG2 THR 86 3HG2 THR 86 -11.378 8.398 6.445
628 H CYS 87 H CYS 87 -8.616 7.855 4.263
629 HA CYS 87 HA CYS 87 -6.744 8.172 6.515
630 1HB CYS 87 1HB CYS 87 -5.330 9.183 4.428
631 2HB CYS 87 2HB CYS 87 -5.173 7.532 5.016
632 H TYR 88 H TYR 88 -5.784 10.386 6.634
633 HA TYR 88 HA TYR 88 -6.830 12.590 5.285
634 1HB TYR 88 1HB TYR 88 -8.757 11.533 6.955
635 2HB TYR 88 2HB TYR 88 -8.056 12.819 7.932
636 HD1 TYR 88 HD1 TYR 88 -8.900 12.461 4.300
637 HD2 TYR 88 HD2 TYR 88 -9.341 14.725 7.874
638 HE1 TYR 88 HE1 TYR 88 -10.239 14.122 3.075
639 HE2 TYR 88 HE2 TYR 88 -10.684 16.391 6.661
640 HH TYR 88 HH TYR 88 -11.612 15.907 3.293
641 H TYR 89 H TYR 89 -4.329 11.923 6.062
642 HA TYR 89 HA TYR 89 -2.579 12.411 7.546
643 1HB TYR 89 1HB TYR 89 -3.588 14.783 6.072
644 2HB TYR 89 2HB TYR 89 -2.379 15.078 7.320
645 HD1 TYR 89 HD1 TYR 89 -0.570 12.858 7.141
646 HD2 TYR 89 HD2 TYR 89 -2.575 14.916 4.002
647 HE1 TYR 89 HE1 TYR 89 1.206 12.190 5.577
648 HE2 TYR 89 HE2 TYR 89 -0.802 14.255 2.429
649 HH TYR 89 HH TYR 89 0.925 12.310 2.308
650 H HIS 90 H HIS 90 -3.374 11.826 9.607
651 HA HIS 90 HA HIS 90 -4.717 13.866 11.188
652 1HB HIS 90 1HB HIS 90 -5.246 12.192 12.700
653 2HB HIS 90 2HB HIS 90 -5.184 11.292 11.189
654 HD1 HIS 90 HD1 HIS 90 -2.646 10.207 10.754
655 HD2 HIS 90 HD2 HIS 90 -3.806 11.018 14.659
656 HE1 HIS 90 HE1 HIS 90 -1.130 8.822 12.205
657 HE2 HIS 90 HE2 HIS 90 -1.911 9.261 14.560
658 H LYS 91 H LYS 91 -1.597 12.309 10.904
659 HA LYS 91 HA LYS 91 0.118 12.435 12.623
660 1HB LYS 91 1HB LYS 91 1.004 13.203 10.593
661 2HB LYS 91 2HB LYS 91 0.040 14.672 10.621
662 1HG LYS 91 1HG LYS 91 1.701 14.666 12.925
663 2HG LYS 91 2HG LYS 91 2.696 14.279 11.518
664 1HD LYS 91 1HD LYS 91 1.762 16.263 10.366
665 2HD LYS 91 2HD LYS 91 0.879 16.668 11.839
666 1HE LYS 91 1HE LYS 91 3.856 16.294 11.845
667 2HE LYS 91 2HE LYS 91 3.126 17.837 11.408
668 1HZ LYS 91 1HZ LYS 91 2.681 16.406 13.974
669 2HZ LYS 91 2HZ LYS 91 3.723 17.721 13.762
670 3HZ LYS 91 3HZ LYS 91 2.056 17.921 13.556
671 H SER 92 H SER 92 -1.384 12.827 14.493
672 HA SER 92 HA SER 92 -1.054 15.578 15.497
673 1HB SER 92 1HB SER 92 -3.409 15.088 15.180
674 2HB SER 92 2HB SER 92 -3.255 13.585 16.087
675 HG SER 92 HG SER 92 -4.063 15.121 17.470
No H/Q in entry = 675
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 4.338 -0.990 -18.521
2 H2 ALA 1 H2 ALA 1 4.798 -2.609 -18.184
3 H3 ALA 1 H3 ALA 1 5.737 -1.654 -19.257
4 HA ALA 1 HA ALA 1 4.153 -1.687 -20.890
5 1HB ALA 1 2HB ALA 1 3.707 -4.095 -21.217
6 2HB ALA 1 1HB ALA 1 4.234 -4.392 -19.560
7 3HB ALA 1 3HB ALA 1 5.374 -3.762 -20.749
8 HA PRO 2 HA PRO 2 0.115 -1.307 -18.819
9 1HB PRO 2 1HB PRO 2 -0.700 0.889 -20.112
10 2HB PRO 2 2HB PRO 2 0.473 0.979 -18.794
11 1HG PRO 2 1HG PRO 2 0.916 1.124 -21.741
12 2HG PRO 2 2HG PRO 2 1.718 2.021 -20.440
13 1HD PRO 2 1HD PRO 2 2.743 -0.227 -21.722
14 2HD PRO 2 2HD PRO 2 3.281 0.396 -20.151
15 H ASP 3 H ASP 3 -1.316 -2.760 -19.524
16 HA ASP 3 HA ASP 3 -2.165 -2.637 -22.341
17 1HB ASP 3 1HB ASP 3 -1.202 -4.915 -20.762
18 2HB ASP 3 2HB ASP 3 -2.726 -5.220 -21.589
19 H VAL 4 H VAL 4 -3.410 -4.706 -19.782
20 HA VAL 4 HA VAL 4 -6.097 -4.132 -20.299
21 HB VAL 4 HB VAL 4 -6.403 -5.026 -17.867
22 1HG1 VAL 4 1HG1 VAL 4 -6.641 -6.219 -20.133
23 2HG1 VAL 4 2HG1 VAL 4 -5.069 -6.927 -19.761
24 3HG1 VAL 4 3HG1 VAL 4 -6.439 -7.206 -18.685
25 1HG2 VAL 4 1HG2 VAL 4 -3.993 -4.549 -17.304
26 2HG2 VAL 4 2HG2 VAL 4 -4.556 -6.174 -16.916
27 3HG2 VAL 4 3HG2 VAL 4 -3.564 -5.905 -18.348
28 H GLN 5 H GLN 5 -7.663 -3.114 -18.833
29 HA GLN 5 HA GLN 5 -6.629 -0.557 -17.893
30 1HB GLN 5 1HB GLN 5 -9.154 -1.520 -18.969
31 2HB GLN 5 2HB GLN 5 -9.387 -0.560 -17.513
32 1HG GLN 5 1HG GLN 5 -9.283 1.224 -18.826
33 2HG GLN 5 2HG GLN 5 -7.554 0.905 -18.958
34 2HE2 GLN 5 2HE2 GLN 5 -6.734 0.037 -20.829
35 1HE2 GLN 5 1HE2 GLN 5 -7.658 -0.109 -22.282
36 H ASP 6 H ASP 6 -8.552 0.106 -16.010
37 HA ASP 6 HA ASP 6 -9.295 -0.298 -13.860
38 1HB ASP 6 1HB ASP 6 -9.091 -2.823 -14.633
39 2HB ASP 6 2HB ASP 6 -7.674 -2.792 -13.588
40 H CYS 7 H CYS 7 -7.457 -1.682 -11.923
41 HA CYS 7 HA CYS 7 -5.007 -0.161 -12.039
42 1HB CYS 7 1HB CYS 7 -6.599 1.499 -11.149
43 2HB CYS 7 2HB CYS 7 -7.021 0.391 -9.848
44 HA PRO 8 HA PRO 8 -3.590 -3.897 -10.109
45 1HB PRO 8 1HB PRO 8 -1.507 -2.047 -9.052
46 2HB PRO 8 2HB PRO 8 -1.319 -3.585 -9.898
47 1HG PRO 8 1HG PRO 8 -0.868 -1.272 -11.146
48 2HG PRO 8 2HG PRO 8 -1.643 -2.629 -11.984
49 1HD PRO 8 1HD PRO 8 -2.844 -0.115 -10.925
50 2HD PRO 8 2HD PRO 8 -3.289 -1.066 -12.356
51 H GLU 9 H GLU 9 -3.056 -4.694 -7.935
52 HA GLU 9 HA GLU 9 -4.850 -3.702 -5.979
53 1HB GLU 9 1HB GLU 9 -3.522 -6.074 -6.384
54 2HB GLU 9 2HB GLU 9 -2.689 -5.419 -4.982
55 1HG GLU 9 1HG GLU 9 -4.314 -6.433 -3.832
56 2HG GLU 9 2HG GLU 9 -5.266 -5.014 -4.269
57 H CYS 10 H CYS 10 -4.589 -2.011 -4.694
58 HA CYS 10 HA CYS 10 -2.259 -0.480 -4.516
59 1HB CYS 10 1HB CYS 10 -4.775 0.019 -3.902
60 2HB CYS 10 2HB CYS 10 -4.245 -0.433 -2.287
61 H THR 11 H THR 11 -0.425 -1.449 -3.857
62 HA THR 11 HA THR 11 -0.117 -1.995 -1.059
63 HB THR 11 HB THR 11 1.001 -4.319 -2.066
64 HG1 THR 11 HG1 THR 11 -0.167 -4.996 -3.654
65 1HG2 THR 11 1HG2 THR 11 -1.623 -3.896 -0.685
66 2HG2 THR 11 2HG2 THR 11 -0.926 -5.484 -0.998
67 3HG2 THR 11 3HG2 THR 11 -0.073 -4.335 0.031
68 H LEU 12 H LEU 12 2.156 -2.584 -0.535
69 HA LEU 12 HA LEU 12 3.987 -0.896 -1.850
70 1HB LEU 12 1HB LEU 12 4.196 -3.075 0.163
71 2HB LEU 12 2HB LEU 12 5.660 -2.558 -0.650
72 HG LEU 12 HG LEU 12 4.703 -0.151 0.129
73 1HD1 LEU 12 1HD1 LEU 12 3.019 -1.932 1.446
74 2HD1 LEU 12 2HD1 LEU 12 4.212 -1.476 2.662
75 3HD1 LEU 12 3HD1 LEU 12 3.271 -0.232 1.839
76 1HD2 LEU 12 1HD2 LEU 12 6.931 -1.346 0.474
77 2HD2 LEU 12 2HD2 LEU 12 6.425 -0.211 1.716
78 3HD2 LEU 12 3HD2 LEU 12 6.250 -1.939 1.988
79 H GLN 13 H GLN 13 5.033 -1.190 -3.724
80 HA GLN 13 HA GLN 13 5.225 -3.948 -4.691
81 1HB GLN 13 1HB GLN 13 5.111 -1.500 -6.393
82 2HB GLN 13 2HB GLN 13 4.984 -3.180 -6.907
83 1HG GLN 13 1HG GLN 13 3.021 -2.788 -4.945
84 2HG GLN 13 2HG GLN 13 2.928 -1.406 -6.031
85 2HE2 GLN 13 2HE2 GLN 13 1.585 -4.242 -5.461
86 1HE2 GLN 13 1HE2 GLN 13 1.160 -4.746 -7.058
87 H GLU 14 H GLU 14 7.064 -3.574 -3.235
88 HA GLU 14 HA GLU 14 9.307 -2.660 -2.972
89 1HB GLU 14 1HB GLU 14 8.975 -5.166 -3.029
90 2HB GLU 14 2HB GLU 14 9.541 -5.105 -4.690
91 1HG GLU 14 1HG GLU 14 11.672 -4.203 -3.955
92 2HG GLU 14 2HG GLU 14 11.106 -4.197 -2.284
93 H ASN 15 H ASN 15 10.502 -1.246 -3.829
94 HA ASN 15 HA ASN 15 10.354 -0.255 -6.382
95 1HB ASN 15 1HB ASN 15 11.702 0.421 -4.090
96 2HB ASN 15 2HB ASN 15 12.990 0.112 -5.247
97 2HD2 ASN 15 2HD2 ASN 15 9.838 1.700 -5.097
98 1HD2 ASN 15 1HD2 ASN 15 10.305 3.100 -5.994
99 HA PRO 16 HA PRO 16 12.655 -3.655 -8.324
100 1HB PRO 16 1HB PRO 16 11.811 -3.136 -10.850
101 2HB PRO 16 2HB PRO 16 10.832 -4.051 -9.699
102 1HG PRO 16 1HG PRO 16 10.639 -1.169 -10.478
103 2HG PRO 16 2HG PRO 16 9.340 -2.346 -10.217
104 1HD PRO 16 1HD PRO 16 10.056 -0.491 -8.359
105 2HD PRO 16 2HD PRO 16 9.388 -2.078 -7.934
106 H PHE 17 H PHE 17 12.934 -0.491 -8.080
107 HA PHE 17 HA PHE 17 15.005 -0.088 -10.098
108 1HB PHE 17 1HB PHE 17 12.981 1.514 -9.536
109 2HB PHE 17 2HB PHE 17 14.045 2.048 -8.238
110 HD1 PHE 17 HD1 PHE 17 16.666 1.952 -9.461
111 HD2 PHE 17 HD2 PHE 17 12.935 3.199 -11.071
112 HE1 PHE 17 HE1 PHE 17 17.851 3.403 -11.067
113 HE2 PHE 17 HE2 PHE 17 14.106 4.653 -12.684
114 HZ PHE 17 HZ PHE 17 16.568 4.753 -12.682
115 H PHE 18 H PHE 18 14.440 0.749 -6.696
116 HA PHE 18 HA PHE 18 17.270 0.939 -6.175
117 1HB PHE 18 1HB PHE 18 15.195 1.003 -4.026
118 2HB PHE 18 2HB PHE 18 16.687 1.927 -4.162
119 HD1 PHE 18 HD1 PHE 18 15.965 2.574 -7.195
120 HD2 PHE 18 HD2 PHE 18 14.003 3.078 -3.463
121 HE1 PHE 18 HE1 PHE 18 14.704 4.471 -8.122
122 HE2 PHE 18 HE2 PHE 18 12.734 4.974 -4.378
123 HZ PHE 18 HZ PHE 18 13.082 5.673 -6.711
124 H SER 19 H SER 19 15.205 -1.572 -6.457
125 HA SER 19 HA SER 19 15.684 -3.192 -4.234
126 1HB SER 19 1HB SER 19 14.442 -3.457 -6.785
127 2HB SER 19 2HB SER 19 15.529 -4.828 -6.569
128 HG SER 19 HG SER 19 13.301 -5.013 -5.710
129 H GLN 20 H GLN 20 17.908 -2.856 -3.709
130 HA GLN 20 HA GLN 20 19.881 -3.931 -5.570
131 1HB GLN 20 1HB GLN 20 20.535 -2.902 -2.830
132 2HB GLN 20 2HB GLN 20 21.522 -2.880 -4.284
133 1HG GLN 20 1HG GLN 20 19.663 -1.269 -5.163
134 2HG GLN 20 2HG GLN 20 19.338 -1.041 -3.444
135 2HE2 GLN 20 2HE2 GLN 20 21.340 -0.243 -6.066
136 1HE2 GLN 20 1HE2 GLN 20 22.480 0.731 -5.209
137 HA PRO 21 HA PRO 21 20.449 -7.831 -3.637
138 1HB PRO 21 1HB PRO 21 23.331 -7.329 -3.255
139 2HB PRO 21 2HB PRO 21 22.528 -8.557 -4.239
140 1HG PRO 21 1HG PRO 21 23.784 -6.461 -5.352
141 2HG PRO 21 2HG PRO 21 22.309 -7.149 -6.055
142 1HD PRO 21 1HD PRO 21 22.650 -4.671 -4.412
143 2HD PRO 21 2HD PRO 21 21.617 -4.951 -5.829
144 H GLY 22 H GLY 22 19.418 -6.252 -1.820
145 1HA GLY 22 1HA GLY 22 21.153 -5.971 0.486
146 2HA GLY 22 2HA GLY 22 19.912 -7.206 0.631
147 H ALA 23 H ALA 23 19.017 -4.550 -1.311
148 HA ALA 23 HA ALA 23 17.221 -3.653 0.806
149 1HB ALA 23 2HB ALA 23 18.484 -1.861 1.215
150 2HB ALA 23 1HB ALA 23 19.498 -2.160 -0.196
151 3HB ALA 23 3HB ALA 23 17.984 -1.275 -0.373
152 HA PRO 24 HA PRO 24 14.724 -3.657 -2.867
153 1HB PRO 24 1HB PRO 24 12.793 -5.127 -1.725
154 2HB PRO 24 2HB PRO 24 14.323 -5.838 -2.241
155 1HG PRO 24 1HG PRO 24 13.300 -5.412 0.463
156 2HG PRO 24 2HG PRO 24 14.664 -6.406 -0.073
157 1HD PRO 24 1HD PRO 24 14.659 -3.680 0.990
158 2HD PRO 24 2HD PRO 24 16.008 -4.817 0.804
159 H ILE 25 H ILE 25 14.526 -1.263 -2.311
160 HA ILE 25 HA ILE 25 12.748 -0.078 -0.685
161 HB ILE 25 HB ILE 25 13.485 0.546 -3.542
162 1HG1 ILE 25 1HG1 ILE 25 15.334 0.568 -2.041
163 2HG1 ILE 25 2HG1 ILE 25 14.855 2.252 -2.248
164 1HG2 ILE 25 1HG2 ILE 25 11.817 2.021 -1.524
165 2HG2 ILE 25 2HG2 ILE 25 12.762 2.895 -2.719
166 3HG2 ILE 25 3HG2 ILE 25 11.505 1.786 -3.244
167 1HD1 ILE 25 1HD1 ILE 25 13.453 1.971 -0.175
168 2HD1 ILE 25 2HD1 ILE 25 14.290 0.439 0.067
169 3HD1 ILE 25 3HD1 ILE 25 15.202 1.946 0.055
170 H LEU 26 H LEU 26 10.735 1.207 -1.805
171 HA LEU 26 HA LEU 26 8.964 -0.723 -3.064
172 1HB LEU 26 1HB LEU 26 7.772 0.677 -0.839
173 2HB LEU 26 2HB LEU 26 7.687 -1.024 -1.275
174 HG LEU 26 HG LEU 26 10.218 -0.035 -0.218
175 1HD1 LEU 26 1HD1 LEU 26 7.820 0.525 1.127
176 2HD1 LEU 26 2HD1 LEU 26 8.627 -0.772 2.010
177 3HD1 LEU 26 3HD1 LEU 26 9.471 0.739 1.691
178 1HD2 LEU 26 1HD2 LEU 26 9.377 -2.461 -0.887
179 2HD2 LEU 26 2HD2 LEU 26 10.555 -2.193 0.397
180 3HD2 LEU 26 3HD2 LEU 26 8.857 -2.454 0.799
181 H GLN 27 H GLN 27 6.665 0.419 -2.495
182 HA GLN 27 HA GLN 27 6.121 3.048 -2.743
183 1HB GLN 27 1HB GLN 27 7.399 3.553 -4.582
184 2HB GLN 27 2HB GLN 27 7.157 1.979 -5.322
185 1HG GLN 27 1HG GLN 27 4.904 2.601 -5.969
186 2HG GLN 27 2HG GLN 27 5.080 4.156 -5.156
187 2HE2 GLN 27 2HE2 GLN 27 4.553 5.086 -7.218
188 1HE2 GLN 27 1HE2 GLN 27 5.776 5.259 -8.425
189 H CYS 28 H CYS 28 4.365 2.035 -1.690
190 HA CYS 28 HA CYS 28 2.633 0.135 -2.357
191 1HB CYS 28 1HB CYS 28 2.227 2.800 -1.120
192 2HB CYS 28 2HB CYS 28 0.778 1.981 -1.683
193 H MET 29 H MET 29 2.132 -0.353 -4.482
194 HA MET 29 HA MET 29 0.936 1.808 -6.092
195 1HB MET 29 1HB MET 29 3.046 0.365 -6.825
196 2HB MET 29 2HB MET 29 1.793 -0.749 -7.354
197 1HG MET 29 1HG MET 29 1.557 0.418 -9.210
198 2HG MET 29 2HG MET 29 1.054 1.816 -8.264
199 1HE MET 29 1HE MET 29 1.742 3.687 -9.218
200 2HE MET 29 2HE MET 29 3.372 4.223 -9.623
201 3HE MET 29 3HE MET 29 2.479 3.191 -10.741
202 H GLY 30 H GLY 30 -1.015 1.512 -7.119
203 1HA GLY 30 1HA GLY 30 -2.577 -0.810 -6.179
204 2HA GLY 30 2HA GLY 30 -2.643 -0.296 -7.857
205 H CYS 31 H CYS 31 -4.894 -0.493 -6.156
206 HA CYS 31 HA CYS 31 -5.572 2.232 -5.395
207 1HB CYS 31 1HB CYS 31 -6.991 0.734 -7.604
208 2HB CYS 31 2HB CYS 31 -7.652 2.159 -6.810
209 H CYS 32 H CYS 32 -5.839 1.463 -3.305
210 HA CYS 32 HA CYS 32 -6.707 0.154 -1.598
211 1HB CYS 32 1HB CYS 32 -8.396 2.135 -2.557
212 2HB CYS 32 2HB CYS 32 -9.449 0.733 -2.397
213 H PHE 33 H PHE 33 -9.400 -0.955 -1.554
214 HA PHE 33 HA PHE 33 -9.117 -3.210 -3.421
215 1HB PHE 33 1HB PHE 33 -9.056 -3.258 -0.485
216 2HB PHE 33 2HB PHE 33 -10.195 -4.399 -1.194
217 HD1 PHE 33 HD1 PHE 33 -6.669 -3.473 -0.874
218 HD2 PHE 33 HD2 PHE 33 -9.432 -6.265 -2.510
219 HE1 PHE 33 HE1 PHE 33 -4.817 -5.022 -1.347
220 HE2 PHE 33 HE2 PHE 33 -7.587 -7.819 -2.986
221 HZ PHE 33 HZ PHE 33 -5.275 -7.198 -2.406
222 H SER 34 H SER 34 -11.161 -4.566 -3.481
223 HA SER 34 HA SER 34 -13.474 -2.749 -3.440
224 1HB SER 34 1HB SER 34 -13.426 -5.310 -5.004
225 2HB SER 34 2HB SER 34 -14.333 -3.831 -5.316
226 HG SER 34 HG SER 34 -11.603 -4.368 -5.778
227 H ARG 35 H ARG 35 -15.041 -5.359 -4.014
228 HA ARG 35 HA ARG 35 -16.085 -5.695 -1.433
229 1HB ARG 35 1HB ARG 35 -16.713 -6.562 -4.042
230 2HB ARG 35 2HB ARG 35 -16.578 -8.016 -3.062
231 1HG ARG 35 1HG ARG 35 -18.303 -7.357 -1.635
232 2HG ARG 35 2HG ARG 35 -18.214 -5.675 -2.158
233 1HD ARG 35 1HD ARG 35 -20.123 -7.266 -3.016
234 2HD ARG 35 2HD ARG 35 -19.392 -6.067 -4.078
235 HE ARG 35 HE ARG 35 -18.677 -8.929 -4.075
236 1HH1 ARG 35 1HH1 ARG 35 -19.129 -5.888 -5.730
237 2HH1 ARG 35 2HH1 ARG 35 -18.730 -6.535 -7.285
238 1HH2 ARG 35 1HH2 ARG 35 -18.153 -9.778 -6.121
239 2HH2 ARG 35 2HH2 ARG 35 -18.176 -8.741 -7.508
240 H ALA 36 H ALA 36 -13.802 -5.982 -0.493
241 HA ALA 36 HA ALA 36 -12.468 -8.457 -0.753
242 1HB ALA 36 1HB ALA 36 -11.596 -6.242 0.213
243 2HB ALA 36 2HB ALA 36 -12.337 -6.773 1.723
244 3HB ALA 36 3HB ALA 36 -11.072 -7.745 0.971
245 H TYR 37 H TYR 37 -12.983 -10.397 -0.002
246 HA TYR 37 HA TYR 37 -13.673 -12.002 1.510
247 1HB TYR 37 1HB TYR 37 -13.661 -9.816 3.139
248 2HB TYR 37 2HB TYR 37 -15.373 -10.231 3.145
249 HD1 TYR 37 HD1 TYR 37 -15.855 -12.817 3.528
250 HD2 TYR 37 HD2 TYR 37 -12.298 -10.807 4.717
251 HE1 TYR 37 HE1 TYR 37 -15.425 -14.575 5.192
252 HE2 TYR 37 HE2 TYR 37 -11.860 -12.560 6.386
253 HH TYR 37 HH TYR 37 -12.522 -14.500 7.239
254 HA PRO 38 HA PRO 38 -17.522 -11.957 -0.966
255 1HB PRO 38 1HB PRO 38 -16.909 -14.786 -1.358
256 2HB PRO 38 2HB PRO 38 -17.080 -13.506 -2.559
257 1HG PRO 38 1HG PRO 38 -14.700 -14.653 -1.972
258 2HG PRO 38 2HG PRO 38 -14.851 -12.967 -2.497
259 1HD PRO 38 1HD PRO 38 -14.462 -14.069 0.260
260 2HD PRO 38 2HD PRO 38 -13.732 -12.635 -0.494
261 H THR 39 H THR 39 -18.757 -14.580 -0.998
262 HA THR 39 HA THR 39 -20.037 -16.000 0.265
263 HB THR 39 HB THR 39 -17.982 -15.437 2.009
264 HG1 THR 39 HG1 THR 39 -20.179 -16.988 2.829
265 1HG2 THR 39 1HG2 THR 39 -19.334 -13.693 3.123
266 2HG2 THR 39 2HG2 THR 39 -20.532 -14.926 3.518
267 3HG2 THR 39 3HG2 THR 39 -18.900 -15.037 4.179
268 HA PRO 40 HA PRO 40 -23.285 -12.897 0.408
269 1HB PRO 40 1HB PRO 40 -25.004 -15.294 0.440
270 2HB PRO 40 2HB PRO 40 -24.969 -13.954 -0.711
271 1HG PRO 40 1HG PRO 40 -24.059 -16.388 -1.370
272 2HG PRO 40 2HG PRO 40 -23.283 -14.911 -1.973
273 1HD PRO 40 1HD PRO 40 -22.435 -16.723 0.260
274 2HD PRO 40 2HD PRO 40 -21.447 -15.943 -0.994
275 H LEU 41 H LEU 41 -25.100 -12.449 1.849
276 HA LEU 41 HA LEU 41 -25.063 -13.945 4.370
277 1HB LEU 41 1HB LEU 41 -25.129 -11.778 5.611
278 2HB LEU 41 2HB LEU 41 -23.600 -12.128 4.829
279 HG LEU 41 HG LEU 41 -25.570 -10.445 3.358
280 1HD1 LEU 41 1HD1 LEU 41 -23.842 -9.437 5.613
281 2HD1 LEU 41 2HD1 LEU 41 -24.744 -8.434 4.477
282 3HD1 LEU 41 3HD1 LEU 41 -25.605 -9.491 5.596
283 1HD2 LEU 41 1HD2 LEU 41 -22.573 -10.608 3.574
284 2HD2 LEU 41 2HD2 LEU 41 -23.586 -10.991 2.183
285 3HD2 LEU 41 3HD2 LEU 41 -23.409 -9.317 2.711
286 H ARG 42 H ARG 42 -26.816 -12.580 5.849
287 HA ARG 42 HA ARG 42 -29.131 -11.737 4.398
288 1HB ARG 42 1HB ARG 42 -29.386 -14.101 3.997
289 2HB ARG 42 2HB ARG 42 -29.127 -14.467 5.695
290 1HG ARG 42 1HG ARG 42 -31.284 -14.243 6.131
291 2HG ARG 42 2HG ARG 42 -31.306 -12.627 5.428
292 1HD ARG 42 1HD ARG 42 -32.496 -14.986 4.431
293 2HD ARG 42 2HD ARG 42 -32.473 -13.384 3.698
294 HE ARG 42 HE ARG 42 -30.886 -14.123 2.217
295 1HH1 ARG 42 1HH1 ARG 42 -31.168 -16.400 4.833
296 2HH1 ARG 42 2HH1 ARG 42 -30.176 -17.599 4.072
297 1HH2 ARG 42 1HH2 ARG 42 -29.578 -15.694 1.200
298 2HH2 ARG 42 2HH2 ARG 42 -29.272 -17.197 2.004
299 H SER 43 H SER 43 -30.474 -10.563 5.688
300 HA SER 43 HA SER 43 -31.271 -9.494 7.536
301 1HB SER 43 1HB SER 43 -31.931 -11.539 8.519
302 2HB SER 43 2HB SER 43 -30.264 -12.034 8.811
303 HG SER 43 HG SER 43 -31.188 -9.690 10.022
304 H LYS 44 H LYS 44 -29.870 -7.748 7.324
305 HA LYS 44 HA LYS 44 -27.297 -7.861 8.695
306 1HB LYS 44 1HB LYS 44 -26.819 -5.740 7.637
307 2HB LYS 44 2HB LYS 44 -27.442 -6.859 6.432
308 1HG LYS 44 1HG LYS 44 -29.678 -5.508 7.438
309 2HG LYS 44 2HG LYS 44 -28.429 -4.281 7.210
310 1HD LYS 44 1HD LYS 44 -28.217 -5.800 4.929
311 2HD LYS 44 2HD LYS 44 -29.954 -5.798 5.236
312 1HE LYS 44 1HE LYS 44 -30.149 -3.545 4.916
313 2HE LYS 44 2HE LYS 44 -28.502 -3.217 5.456
314 1HZ LYS 44 1HZ LYS 44 -27.686 -4.134 3.363
315 2HZ LYS 44 2HZ LYS 44 -29.272 -4.414 2.847
316 3HZ LYS 44 3HZ LYS 44 -28.731 -2.830 3.090
317 H LYS 45 H LYS 45 -29.944 -7.821 10.099
318 HA LYS 45 HA LYS 45 -30.472 -5.343 11.255
319 1HB LYS 45 1HB LYS 45 -31.348 -8.002 11.604
320 2HB LYS 45 2HB LYS 45 -30.840 -7.440 13.191
321 1HG LYS 45 1HG LYS 45 -32.679 -5.830 11.455
322 2HG LYS 45 2HG LYS 45 -33.273 -7.089 12.540
323 1HD LYS 45 1HD LYS 45 -33.399 -5.359 13.995
324 2HD LYS 45 2HD LYS 45 -31.695 -5.741 14.241
325 1HE LYS 45 1HE LYS 45 -31.205 -3.659 13.643
326 2HE LYS 45 2HE LYS 45 -31.772 -4.044 12.019
327 1HZ LYS 45 1HZ LYS 45 -34.027 -3.534 13.542
328 2HZ LYS 45 2HZ LYS 45 -32.921 -2.316 13.934
329 3HZ LYS 45 3HZ LYS 45 -33.371 -2.563 12.323
330 H THR 46 H THR 46 -27.822 -7.473 11.730
331 HA THR 46 HA THR 46 -26.293 -5.676 13.189
332 HB THR 46 HB THR 46 -26.606 -7.579 15.269
333 HG1 THR 46 HG1 THR 46 -28.677 -7.803 15.522
334 1HG2 THR 46 1HG2 THR 46 -26.209 -4.911 15.127
335 2HG2 THR 46 2HG2 THR 46 -27.888 -4.976 15.662
336 3HG2 THR 46 3HG2 THR 46 -26.631 -5.784 16.600
337 H MET 47 H MET 47 -24.455 -6.293 12.281
338 HA MET 47 HA MET 47 -22.574 -7.860 12.719
339 1HB MET 47 1HB MET 47 -23.967 -9.735 13.411
340 2HB MET 47 2HB MET 47 -24.656 -9.851 11.798
341 1HG MET 47 1HG MET 47 -21.716 -10.051 12.007
342 2HG MET 47 2HG MET 47 -22.659 -11.394 12.650
343 1HE MET 47 1HE MET 47 -22.301 -13.336 11.192
344 2HE MET 47 2HE MET 47 -24.046 -13.075 11.205
345 3HE MET 47 3HE MET 47 -23.227 -13.493 9.699
346 H LEU 48 H LEU 48 -21.762 -6.482 11.134
347 HA LEU 48 HA LEU 48 -21.716 -7.632 8.470
348 1HB LEU 48 1HB LEU 48 -22.555 -5.820 7.297
349 2HB LEU 48 2HB LEU 48 -23.641 -5.929 8.669
350 HG LEU 48 HG LEU 48 -21.374 -3.964 8.334
351 1HD1 LEU 48 1HD1 LEU 48 -24.369 -3.658 8.299
352 2HD1 LEU 48 2HD1 LEU 48 -23.230 -2.314 8.373
353 3HD1 LEU 48 3HD1 LEU 48 -23.249 -3.377 6.966
354 1HD2 LEU 48 1HD2 LEU 48 -22.754 -4.906 10.698
355 2HD2 LEU 48 2HD2 LEU 48 -21.345 -3.854 10.556
356 3HD2 LEU 48 3HD2 LEU 48 -22.968 -3.172 10.458
357 H VAL 49 H VAL 49 -19.834 -7.235 10.666
358 HA VAL 49 HA VAL 49 -18.069 -5.265 10.705
359 HB VAL 49 HB VAL 49 -16.216 -7.147 10.488
360 1HG1 VAL 49 1HG1 VAL 49 -18.153 -6.501 12.631
361 2HG1 VAL 49 2HG1 VAL 49 -17.154 -7.935 12.861
362 3HG1 VAL 49 3HG1 VAL 49 -16.395 -6.364 12.609
363 1HG2 VAL 49 1HG2 VAL 49 -18.422 -8.584 9.688
364 2HG2 VAL 49 2HG2 VAL 49 -16.898 -9.263 10.261
365 3HG2 VAL 49 3HG2 VAL 49 -18.241 -9.040 11.381
366 H GLN 50 H GLN 50 -17.378 -3.940 9.162
367 HA GLN 50 HA GLN 50 -16.127 -3.265 7.352
368 1HB GLN 50 1HB GLN 50 -15.481 -6.008 7.495
369 2HB GLN 50 2HB GLN 50 -15.919 -5.693 5.823
370 1HG GLN 50 1HG GLN 50 -13.992 -3.918 7.263
371 2HG GLN 50 2HG GLN 50 -13.464 -5.438 6.544
372 2HE2 GLN 50 2HE2 GLN 50 -14.942 -5.527 4.256
373 1HE2 GLN 50 1HE2 GLN 50 -14.498 -4.222 3.214
374 H LYS 51 H LYS 51 -16.327 -3.529 4.786
375 HA LYS 51 HA LYS 51 -17.700 -3.785 2.913
376 1HB LYS 51 1HB LYS 51 -19.178 -5.279 4.468
377 2HB LYS 51 2HB LYS 51 -20.159 -3.828 4.623
378 1HG LYS 51 1HG LYS 51 -21.143 -4.250 2.689
379 2HG LYS 51 2HG LYS 51 -19.584 -4.263 1.863
380 1HD LYS 51 1HD LYS 51 -19.774 -6.690 3.285
381 2HD LYS 51 2HD LYS 51 -21.323 -6.453 2.472
382 1HE LYS 51 1HE LYS 51 -18.582 -6.473 1.215
383 2HE LYS 51 2HE LYS 51 -19.863 -7.667 1.002
384 1HZ LYS 51 1HZ LYS 51 -21.097 -5.410 0.259
385 2HZ LYS 51 2HZ LYS 51 -19.518 -5.087 -0.257
386 3HZ LYS 51 3HZ LYS 51 -20.325 -6.466 -0.813
387 H ASN 52 H ASN 52 -19.679 -2.430 2.048
388 HA ASN 52 HA ASN 52 -20.706 -0.397 1.761
389 1HB ASN 52 1HB ASN 52 -20.165 -0.407 4.536
390 2HB ASN 52 2HB ASN 52 -19.614 1.150 3.924
391 2HD2 ASN 52 2HD2 ASN 52 -21.074 2.685 3.872
392 1HD2 ASN 52 1HD2 ASN 52 -22.785 2.464 3.780
393 H VAL 53 H VAL 53 -18.517 -0.947 0.351
394 HA VAL 53 HA VAL 53 -17.290 1.669 0.031
395 HB VAL 53 HB VAL 53 -15.026 0.334 -0.284
396 1HG1 VAL 53 1HG1 VAL 53 -15.802 2.196 1.400
397 2HG1 VAL 53 2HG1 VAL 53 -15.749 0.866 2.557
398 3HG1 VAL 53 3HG1 VAL 53 -14.298 1.312 1.659
399 1HG2 VAL 53 1HG2 VAL 53 -16.504 -1.295 1.782
400 2HG2 VAL 53 2HG2 VAL 53 -15.943 -1.858 0.208
401 3HG2 VAL 53 3HG2 VAL 53 -14.775 -1.401 1.448
402 H THR 54 H THR 54 -15.892 1.720 -1.958
403 HA THR 54 HA THR 54 -15.437 0.187 -3.987
404 HB THR 54 HB THR 54 -18.420 0.295 -3.742
405 HG1 THR 54 HG1 THR 54 -17.593 -1.903 -4.865
406 1HG2 THR 54 1HG2 THR 54 -16.901 0.130 -6.318
407 2HG2 THR 54 2HG2 THR 54 -18.487 -0.612 -6.115
408 3HG2 THR 54 3HG2 THR 54 -18.297 1.131 -5.919
409 H SER 55 H SER 55 -15.273 1.203 -6.059
410 HA SER 55 HA SER 55 -15.228 2.947 -7.545
411 1HB SER 55 1HB SER 55 -16.943 4.506 -5.602
412 2HB SER 55 2HB SER 55 -16.718 4.818 -7.322
413 HG SER 55 HG SER 55 -17.560 2.355 -7.169
414 H GLU 56 H GLU 56 -14.007 4.865 -7.839
415 HA GLU 56 HA GLU 56 -11.745 5.177 -6.370
416 1HB GLU 56 1HB GLU 56 -11.474 7.369 -7.384
417 2HB GLU 56 2HB GLU 56 -12.142 6.243 -8.558
418 1HG GLU 56 1HG GLU 56 -14.358 7.173 -8.221
419 2HG GLU 56 2HG GLU 56 -13.726 8.270 -6.994
420 H SER 57 H SER 57 -11.020 6.469 -4.674
421 HA SER 57 HA SER 57 -12.306 8.510 -3.384
422 1HB SER 57 1HB SER 57 -13.454 5.874 -2.706
423 2HB SER 57 2HB SER 57 -13.080 6.913 -1.332
424 HG SER 57 HG SER 57 -14.418 8.036 -3.511
425 H THR 58 H THR 58 -11.557 5.819 -1.310
426 HA THR 58 HA THR 58 -9.671 7.093 0.216
427 HB THR 58 HB THR 58 -8.886 4.381 0.161
428 HG1 THR 58 HG1 THR 58 -11.193 3.612 0.518
429 1HG2 THR 58 1HG2 THR 58 -10.292 6.185 1.971
430 2HG2 THR 58 2HG2 THR 58 -10.748 4.490 2.145
431 3HG2 THR 58 3HG2 THR 58 -9.058 4.969 2.302
432 H CYS 59 H CYS 59 -7.327 6.497 0.467
433 HA CYS 59 HA CYS 59 -5.924 5.841 -1.985
434 1HB CYS 59 1HB CYS 59 -5.403 8.488 -0.617
435 2HB CYS 59 2HB CYS 59 -4.626 7.880 -2.074
436 H CYS 60 H CYS 60 -4.076 4.789 -1.596
437 HA CYS 60 HA CYS 60 -3.354 4.256 1.148
438 1HB CYS 60 1HB CYS 60 -1.826 3.274 -1.247
439 2HB CYS 60 2HB CYS 60 -2.037 2.500 0.320
440 H VAL 61 H VAL 61 -2.317 5.915 2.112
441 HA VAL 61 HA VAL 61 0.041 7.039 0.749
442 HB VAL 61 HB VAL 61 -1.627 8.739 1.273
443 1HG1 VAL 61 1HG1 VAL 61 -1.712 7.316 3.819
444 2HG1 VAL 61 2HG1 VAL 61 -1.622 9.069 3.995
445 3HG1 VAL 61 3HG1 VAL 61 -2.923 8.344 3.052
446 1HG2 VAL 61 1HG2 VAL 61 0.856 9.179 1.478
447 2HG2 VAL 61 2HG2 VAL 61 -0.203 10.303 2.331
448 3HG2 VAL 61 3HG2 VAL 61 0.643 9.040 3.224
449 H ALA 62 H ALA 62 1.040 4.969 1.523
450 HA ALA 62 HA ALA 62 1.807 3.640 3.379
451 1HB ALA 62 2HB ALA 62 4.086 5.158 3.752
452 2HB ALA 62 3HB ALA 62 3.835 3.910 2.531
453 3HB ALA 62 1HB ALA 62 3.528 5.602 2.139
454 H LYS 63 H LYS 63 0.995 3.541 5.349
455 HA LYS 63 HA LYS 63 0.418 5.640 7.085
456 1HB LYS 63 1HB LYS 63 -0.388 3.279 7.299
457 2HB LYS 63 2HB LYS 63 1.222 2.824 7.834
458 1HG LYS 63 1HG LYS 63 0.623 4.892 9.512
459 2HG LYS 63 2HG LYS 63 -0.943 4.107 9.300
460 1HD LYS 63 1HD LYS 63 1.392 2.350 9.792
461 2HD LYS 63 2HD LYS 63 0.829 3.333 11.146
462 1HE LYS 63 1HE LYS 63 -0.985 1.578 9.503
463 2HE LYS 63 2HE LYS 63 -0.180 1.032 10.973
464 1HZ LYS 63 1HZ LYS 63 -1.382 3.417 11.635
465 2HZ LYS 63 2HZ LYS 63 -2.529 2.603 10.695
466 3HZ LYS 63 3HZ LYS 63 -1.894 1.868 12.079
467 H SER 64 H SER 64 3.270 3.683 6.630
468 HA SER 64 HA SER 64 4.877 5.669 8.000
469 1HB SER 64 1HB SER 64 5.306 2.752 8.640
470 2HB SER 64 2HB SER 64 5.944 4.165 9.482
471 HG SER 64 HG SER 64 3.935 2.869 10.269
472 H TYR 65 H TYR 65 6.794 5.974 7.007
473 HA TYR 65 HA TYR 65 7.443 4.127 4.802
474 1HB TYR 65 1HB TYR 65 8.614 6.398 4.021
475 2HB TYR 65 2HB TYR 65 6.950 5.985 3.627
476 HD1 TYR 65 HD1 TYR 65 8.830 7.601 6.421
477 HD2 TYR 65 HD2 TYR 65 5.378 7.632 3.938
478 HE1 TYR 65 HE1 TYR 65 8.058 9.657 7.532
479 HE2 TYR 65 HE2 TYR 65 4.594 9.690 5.039
480 HH TYR 65 HH TYR 65 5.470 10.732 7.827
481 H ASN 66 H ASN 66 9.662 4.048 4.120
482 HA ASN 66 HA ASN 66 11.538 4.708 6.311
483 1HB ASN 66 1HB ASN 66 10.948 2.111 5.288
484 2HB ASN 66 2HB ASN 66 12.585 2.531 4.800
485 2HD2 ASN 66 2HD2 ASN 66 13.888 1.485 6.110
486 1HD2 ASN 66 1HD2 ASN 66 13.800 1.484 7.836
487 H ARG 67 H ARG 67 10.628 6.031 4.057
488 HA ARG 67 HA ARG 67 11.515 6.481 1.778
489 1HB ARG 67 1HB ARG 67 11.189 8.215 3.870
490 2HB ARG 67 2HB ARG 67 12.820 8.579 3.326
491 1HG ARG 67 1HG ARG 67 11.732 8.666 0.974
492 2HG ARG 67 2HG ARG 67 10.229 8.863 1.880
493 1HD ARG 67 1HD ARG 67 12.564 10.690 1.643
494 2HD ARG 67 2HD ARG 67 10.840 11.057 1.636
495 HE ARG 67 HE ARG 67 11.137 10.300 4.146
496 1HH1 ARG 67 1HH1 ARG 67 13.190 12.341 2.205
497 2HH1 ARG 67 2HH1 ARG 67 13.758 13.268 3.553
498 1HH2 ARG 67 1HH2 ARG 67 11.882 11.513 5.925
499 2HH2 ARG 67 2HH2 ARG 67 13.015 12.797 5.668
500 H VAL 68 H VAL 68 13.138 6.204 0.473
501 HA VAL 68 HA VAL 68 15.860 6.211 1.532
502 HB VAL 68 HB VAL 68 16.489 4.183 0.570
503 1HG1 VAL 68 1HG1 VAL 68 14.550 4.087 2.394
504 2HG1 VAL 68 2HG1 VAL 68 13.719 3.263 1.076
505 3HG1 VAL 68 3HG1 VAL 68 15.250 2.633 1.682
506 1HG2 VAL 68 1HG2 VAL 68 14.916 4.890 -1.560
507 2HG2 VAL 68 2HG2 VAL 68 15.765 3.357 -1.382
508 3HG2 VAL 68 3HG2 VAL 68 14.068 3.491 -0.920
509 H THR 69 H THR 69 14.498 8.214 0.153
510 HA THR 69 HA THR 69 14.448 8.750 -2.357
511 HB THR 69 HB THR 69 16.259 10.247 -0.471
512 HG1 THR 69 HG1 THR 69 14.321 11.734 -0.908
513 1HG2 THR 69 1HG2 THR 69 16.582 10.543 -3.092
514 2HG2 THR 69 2HG2 THR 69 15.181 11.591 -2.870
515 3HG2 THR 69 3HG2 THR 69 16.664 11.896 -1.965
516 H VAL 70 H VAL 70 15.388 8.116 -4.123
517 HA VAL 70 HA VAL 70 18.275 7.533 -4.100
518 HB VAL 70 HB VAL 70 16.644 6.042 -6.030
519 1HG1 VAL 70 1HG1 VAL 70 19.180 5.879 -5.360
520 2HG1 VAL 70 2HG1 VAL 70 18.555 4.849 -4.074
521 3HG1 VAL 70 3HG1 VAL 70 18.263 4.428 -5.761
522 1HG2 VAL 70 1HG2 VAL 70 16.279 5.762 -3.082
523 2HG2 VAL 70 2HG2 VAL 70 15.072 5.747 -4.361
524 3HG2 VAL 70 3HG2 VAL 70 16.137 4.359 -4.132
525 H MET 71 H MET 71 18.658 6.896 -6.642
526 HA MET 71 HA MET 71 19.366 7.918 -8.529
527 1HB MET 71 1HB MET 71 16.414 8.442 -8.477
528 2HB MET 71 2HB MET 71 17.410 8.931 -9.844
529 1HG MET 71 1HG MET 71 18.147 6.328 -9.356
530 2HG MET 71 2HG MET 71 16.398 6.347 -9.133
531 1HE MET 71 1HE MET 71 18.871 8.276 -11.026
532 2HE MET 71 2HE MET 71 19.033 7.357 -12.523
533 3HE MET 71 3HE MET 71 17.950 8.747 -12.455
534 H GLY 72 H GLY 72 17.603 10.342 -9.419
535 1HA GLY 72 1HA GLY 72 18.218 12.552 -9.624
536 2HA GLY 72 2HA GLY 72 19.438 12.302 -8.381
537 H GLY 73 H GLY 73 17.294 11.002 -6.687
538 1HA GLY 73 1HA GLY 73 15.999 13.497 -5.793
539 2HA GLY 73 2HA GLY 73 16.591 12.262 -4.692
540 H PHE 74 H PHE 74 15.634 9.996 -6.178
541 HA PHE 74 HA PHE 74 12.846 10.242 -6.667
542 1HB PHE 74 1HB PHE 74 14.739 7.941 -6.351
543 2HB PHE 74 2HB PHE 74 13.004 7.641 -6.343
544 HD1 PHE 74 HD1 PHE 74 14.730 10.225 -8.338
545 HD2 PHE 74 HD2 PHE 74 12.810 6.427 -8.357
546 HE1 PHE 74 HE1 PHE 74 14.718 10.247 -10.800
547 HE2 PHE 74 HE2 PHE 74 12.794 6.443 -10.817
548 HZ PHE 74 HZ PHE 74 13.748 8.356 -12.042
549 H LYS 75 H LYS 75 11.452 8.441 -5.351
550 HA LYS 75 HA LYS 75 12.001 8.504 -2.526
551 1HB LYS 75 1HB LYS 75 9.858 10.234 -3.728
552 2HB LYS 75 2HB LYS 75 9.778 9.685 -2.058
553 1HG LYS 75 1HG LYS 75 12.283 10.672 -2.119
554 2HG LYS 75 2HG LYS 75 11.497 11.716 -3.305
555 1HD LYS 75 1HD LYS 75 9.782 11.413 -1.042
556 2HD LYS 75 2HD LYS 75 11.391 11.883 -0.488
557 1HE LYS 75 1HE LYS 75 10.841 13.975 -1.013
558 2HE LYS 75 2HE LYS 75 10.938 13.483 -2.704
559 1HZ LYS 75 1HZ LYS 75 8.572 12.892 -2.594
560 2HZ LYS 75 2HZ LYS 75 8.503 13.469 -1.004
561 3HZ LYS 75 3HZ LYS 75 8.834 14.533 -2.277
562 H VAL 76 H VAL 76 11.066 6.889 -1.495
563 HA VAL 76 HA VAL 76 8.724 5.552 -2.599
564 HB VAL 76 HB VAL 76 9.822 3.278 -2.069
565 1HG1 VAL 76 1HG1 VAL 76 10.961 5.150 -4.193
566 2HG1 VAL 76 2HG1 VAL 76 11.453 3.462 -4.070
567 3HG1 VAL 76 3HG1 VAL 76 9.768 3.869 -4.389
568 1HG2 VAL 76 1HG2 VAL 76 11.709 5.161 -0.988
569 2HG2 VAL 76 2HG2 VAL 76 11.755 3.404 -0.916
570 3HG2 VAL 76 3HG2 VAL 76 12.525 4.256 -2.256
571 H GLU 77 H GLU 77 9.719 7.233 -0.318
572 HA GLU 77 HA GLU 77 9.842 7.044 2.067
573 1HB GLU 77 1HB GLU 77 7.025 6.389 2.179
574 2HB GLU 77 2HB GLU 77 7.811 7.919 2.545
575 1HG GLU 77 1HG GLU 77 7.236 7.062 -0.266
576 2HG GLU 77 2HG GLU 77 6.032 7.885 0.726
577 H ASN 78 H ASN 78 10.785 4.770 1.080
578 HA ASN 78 HA ASN 78 10.277 2.412 0.925
579 1HB ASN 78 1HB ASN 78 12.359 2.808 2.147
580 2HB ASN 78 2HB ASN 78 11.446 3.048 3.632
581 H HIS 79 H HIS 79 7.940 2.714 1.005
582 HA HIS 79 HA HIS 79 6.397 3.009 3.125
583 1HB HIS 79 1HB HIS 79 5.929 1.081 0.865
584 2HB HIS 79 2HB HIS 79 4.689 1.536 2.039
585 HD1 HIS 79 HD1 HIS 79 3.658 2.525 -0.389
586 HD2 HIS 79 HD2 HIS 79 6.806 4.487 1.443
587 HE1 HIS 79 HE1 HIS 79 3.747 4.826 -1.435
588 H THR 80 H THR 80 6.454 2.350 4.997
589 HA THR 80 HA THR 80 7.196 -0.437 5.561
590 HB THR 80 HB THR 80 8.071 0.280 7.639
591 HG1 THR 80 HG1 THR 80 7.444 2.931 7.513
592 1HG2 THR 80 1HG2 THR 80 9.394 1.014 5.615
593 2HG2 THR 80 2HG2 THR 80 8.707 2.619 5.860
594 3HG2 THR 80 3HG2 THR 80 9.716 1.894 7.109
595 H ALA 81 H ALA 81 4.595 1.649 5.410
596 HA ALA 81 HA ALA 81 2.798 -0.260 6.501
597 1HB ALA 81 1HB ALA 81 3.635 0.838 8.579
598 2HB ALA 81 2HB ALA 81 1.902 1.038 8.322
599 3HB ALA 81 3HB ALA 81 3.005 2.369 7.972
600 H CYS 82 H CYS 82 0.959 -0.067 5.316
601 HA CYS 82 HA CYS 82 0.509 2.510 3.954
602 1HB CYS 82 1HB CYS 82 0.983 0.032 2.790
603 2HB CYS 82 2HB CYS 82 -0.765 0.212 2.684
604 H HIS 83 H HIS 83 -1.572 3.335 3.861
605 HA HIS 83 HA HIS 83 -3.781 1.820 4.972
606 1HB HIS 83 1HB HIS 83 -4.300 3.489 6.702
607 2HB HIS 83 2HB HIS 83 -2.735 2.732 6.982
608 HD1 HIS 83 HD1 HIS 83 -3.773 5.654 7.932
609 HD2 HIS 83 HD2 HIS 83 -1.070 4.785 4.897
610 HE1 HIS 83 HE1 HIS 83 -2.395 7.737 7.642
611 HE2 HIS 83 HE2 HIS 83 -0.763 7.189 5.802
612 H CYS 84 H CYS 84 -5.388 2.158 3.600
613 HA CYS 84 HA CYS 84 -5.510 4.239 1.710
614 1HB CYS 84 1HB CYS 84 -7.146 1.971 2.510
615 2HB CYS 84 2HB CYS 84 -8.138 3.359 2.080
616 H SER 85 H SER 85 -6.178 6.287 1.866
617 HA SER 85 HA SER 85 -8.139 7.062 3.868
618 1HB SER 85 1HB SER 85 -5.892 8.933 3.869
619 2HB SER 85 2HB SER 85 -6.780 8.240 5.226
620 HG SER 85 HG SER 85 -4.360 7.633 4.466
621 H THR 86 H THR 86 -7.471 9.892 3.560
622 HA THR 86 HA THR 86 -8.767 10.297 0.986
623 HB THR 86 HB THR 86 -8.034 12.557 2.799
624 HG1 THR 86 HG1 THR 86 -8.908 11.326 4.329
625 1HG2 THR 86 1HG2 THR 86 -9.561 12.409 0.542
626 2HG2 THR 86 2HG2 THR 86 -10.767 12.323 1.825
627 3HG2 THR 86 3HG2 THR 86 -9.647 13.683 1.759
628 H CYS 87 H CYS 87 -6.036 9.422 0.983
629 HA CYS 87 HA CYS 87 -3.968 9.926 0.152
630 1HB CYS 87 1HB CYS 87 -4.648 11.889 -1.785
631 2HB CYS 87 2HB CYS 87 -4.360 10.172 -2.032
632 H TYR 88 H TYR 88 -2.790 12.145 -0.913
633 HA TYR 88 HA TYR 88 -1.740 13.521 1.138
634 1HB TYR 88 1HB TYR 88 -1.446 15.479 -0.484
635 2HB TYR 88 2HB TYR 88 -0.804 13.920 -0.989
636 HD1 TYR 88 HD1 TYR 88 -3.993 15.861 -1.240
637 HD2 TYR 88 HD2 TYR 88 -1.211 13.278 -3.161
638 HE1 TYR 88 HE1 TYR 88 -5.303 16.004 -3.317
639 HE2 TYR 88 HE2 TYR 88 -2.512 13.416 -5.243
640 HH TYR 88 HH TYR 88 -5.434 14.157 -5.539
641 H TYR 89 H TYR 89 -1.993 15.801 1.840
642 HA TYR 89 HA TYR 89 -4.810 16.647 1.945
643 1HB TYR 89 1HB TYR 89 -2.878 16.282 4.224
644 2HB TYR 89 2HB TYR 89 -4.223 17.409 4.351
645 HD1 TYR 89 HD1 TYR 89 -3.637 13.869 3.284
646 HD2 TYR 89 HD2 TYR 89 -6.128 16.619 5.365
647 HE1 TYR 89 HE1 TYR 89 -5.107 12.017 3.957
648 HE2 TYR 89 HE2 TYR 89 -7.608 14.776 6.044
649 HH TYR 89 HH TYR 89 -6.749 11.560 5.836
650 H HIS 90 H HIS 90 -2.222 18.131 3.756
651 HA HIS 90 HA HIS 90 -2.077 20.317 1.795
652 1HB HIS 90 1HB HIS 90 -1.768 21.490 4.337
653 2HB HIS 90 2HB HIS 90 -3.100 21.711 3.211
654 HD1 HIS 90 HD1 HIS 90 -2.256 18.811 5.542
655 HD2 HIS 90 HD2 HIS 90 -5.354 21.440 4.666
656 HE1 HIS 90 HE1 HIS 90 -4.165 18.120 7.025
657 HE2 HIS 90 HE2 HIS 90 -5.998 19.779 6.540
658 H LYS 91 H LYS 91 -0.065 19.487 1.121
659 HA LYS 91 HA LYS 91 2.209 19.414 1.075
660 1HB LYS 91 1HB LYS 91 2.227 21.677 1.873
661 2HB LYS 91 2HB LYS 91 1.884 21.159 3.517
662 1HG LYS 91 1HG LYS 91 4.062 20.117 3.679
663 2HG LYS 91 2HG LYS 91 4.408 20.533 1.999
664 1HD LYS 91 1HD LYS 91 3.597 22.864 3.491
665 2HD LYS 91 2HD LYS 91 4.960 22.062 4.272
666 1HE LYS 91 1HE LYS 91 6.366 22.412 2.494
667 2HE LYS 91 2HE LYS 91 5.048 22.470 1.325
668 1HZ LYS 91 1HZ LYS 91 4.433 24.647 2.204
669 2HZ LYS 91 2HZ LYS 91 5.729 24.590 3.290
670 3HZ LYS 91 3HZ LYS 91 6.024 24.645 1.625
671 H SER 92 H SER 92 3.198 17.547 1.446
672 HA SER 92 HA SER 92 4.054 16.681 3.965
673 1HB SER 92 1HB SER 92 2.481 15.241 4.739
674 2HB SER 92 2HB SER 92 1.382 16.186 3.734
675 HG SER 92 HG SER 92 1.656 14.662 2.089
No H/Q in entry = 675
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 -7.860 -15.817 -21.767
2 H2 ALA 1 H2 ALA 1 -7.109 -14.781 -22.912
3 H3 ALA 1 H3 ALA 1 -6.885 -16.477 -23.016
4 HA ALA 1 HA ALA 1 -5.023 -16.103 -21.966
5 1HB ALA 1 3HB ALA 1 -4.682 -14.028 -20.563
6 2HB ALA 1 1HB ALA 1 -4.996 -13.760 -22.278
7 3HB ALA 1 2HB ALA 1 -6.282 -13.513 -21.096
8 HA PRO 2 HA PRO 2 -7.322 -18.450 -18.657
9 1HB PRO 2 1HB PRO 2 -4.496 -19.443 -18.681
10 2HB PRO 2 2HB PRO 2 -6.000 -20.346 -18.470
11 1HG PRO 2 1HG PRO 2 -4.691 -20.294 -20.820
12 2HG PRO 2 2HG PRO 2 -6.457 -20.377 -20.725
13 1HD PRO 2 1HD PRO 2 -4.737 -18.155 -21.590
14 2HD PRO 2 2HD PRO 2 -6.461 -18.431 -21.898
15 H ASP 3 H ASP 3 -4.108 -16.940 -18.593
16 HA ASP 3 HA ASP 3 -2.878 -16.137 -16.809
17 1HB ASP 3 1HB ASP 3 -5.096 -14.552 -17.472
18 2HB ASP 3 2HB ASP 3 -5.044 -14.562 -15.711
19 H VAL 4 H VAL 4 -3.840 -15.121 -14.325
20 HA VAL 4 HA VAL 4 -4.422 -17.660 -12.947
21 HB VAL 4 HB VAL 4 -3.059 -15.207 -11.825
22 1HG1 VAL 4 1HG1 VAL 4 -4.405 -16.978 -10.375
23 2HG1 VAL 4 2HG1 VAL 4 -2.901 -17.880 -10.544
24 3HG1 VAL 4 3HG1 VAL 4 -2.887 -16.273 -9.819
25 1HG2 VAL 4 1HG2 VAL 4 -2.016 -17.111 -13.568
26 2HG2 VAL 4 2HG2 VAL 4 -1.108 -15.974 -12.572
27 3HG2 VAL 4 3HG2 VAL 4 -1.447 -17.597 -11.972
28 H GLN 5 H GLN 5 -5.941 -17.712 -11.287
29 HA GLN 5 HA GLN 5 -7.814 -15.444 -11.277
30 1HB GLN 5 1HB GLN 5 -8.277 -18.342 -10.546
31 2HB GLN 5 2HB GLN 5 -9.491 -17.074 -10.472
32 1HG GLN 5 1HG GLN 5 -8.774 -16.788 -13.015
33 2HG GLN 5 2HG GLN 5 -8.355 -18.488 -12.806
34 2HE2 GLN 5 2HE2 GLN 5 -10.018 -18.926 -14.348
35 1HE2 GLN 5 1HE2 GLN 5 -11.672 -18.980 -13.853
36 H ASP 6 H ASP 6 -6.525 -14.295 -9.701
37 HA ASP 6 HA ASP 6 -7.421 -14.297 -7.155
38 1HB ASP 6 1HB ASP 6 -6.745 -16.294 -6.326
39 2HB ASP 6 2HB ASP 6 -5.522 -16.506 -7.570
40 H CYS 7 H CYS 7 -6.135 -13.030 -5.646
41 HA CYS 7 HA CYS 7 -3.611 -12.010 -6.083
42 1HB CYS 7 1HB CYS 7 -3.754 -10.187 -7.443
43 2HB CYS 7 2HB CYS 7 -5.075 -11.110 -8.146
44 HA PRO 8 HA PRO 8 -4.709 -10.168 -2.212
45 1HB PRO 8 1HB PRO 8 -2.506 -8.770 -1.710
46 2HB PRO 8 2HB PRO 8 -2.428 -10.530 -1.839
47 1HG PRO 8 1HG PRO 8 -1.723 -8.457 -3.887
48 2HG PRO 8 2HG PRO 8 -0.826 -9.915 -3.419
49 1HD PRO 8 1HD PRO 8 -2.485 -9.759 -5.609
50 2HD PRO 8 2HD PRO 8 -2.101 -11.269 -4.758
51 H GLU 9 H GLU 9 -3.060 -7.432 -2.202
52 HA GLU 9 HA GLU 9 -4.843 -5.799 -3.798
53 1HB GLU 9 1HB GLU 9 -4.893 -5.851 -0.820
54 2HB GLU 9 2HB GLU 9 -5.095 -4.310 -1.639
55 1HG GLU 9 1HG GLU 9 -7.254 -4.809 -1.735
56 2HG GLU 9 2HG GLU 9 -6.815 -5.955 -3.000
57 H CYS 10 H CYS 10 -4.283 -3.359 -3.049
58 HA CYS 10 HA CYS 10 -1.845 -2.765 -4.112
59 1HB CYS 10 1HB CYS 10 -3.095 -0.866 -3.953
60 2HB CYS 10 2HB CYS 10 -3.820 -1.351 -2.427
61 H THR 11 H THR 11 -0.297 -4.227 -3.306
62 HA THR 11 HA THR 11 0.579 -3.729 -0.536
63 HB THR 11 HB THR 11 1.818 -6.069 -1.456
64 HG1 THR 11 HG1 THR 11 0.439 -7.042 -2.681
65 1HG2 THR 11 1HG2 THR 11 -0.317 -5.442 0.493
66 2HG2 THR 11 2HG2 THR 11 -0.051 -7.128 0.048
67 3HG2 THR 11 3HG2 THR 11 1.267 -6.179 0.734
68 H LEU 12 H LEU 12 2.846 -3.756 -0.115
69 HA LEU 12 HA LEU 12 4.381 -2.135 -1.730
70 1HB LEU 12 1HB LEU 12 5.075 -4.119 0.384
71 2HB LEU 12 2HB LEU 12 6.342 -3.293 -0.505
72 HG LEU 12 HG LEU 12 4.876 -1.162 0.204
73 1HD1 LEU 12 1HD1 LEU 12 3.244 -2.585 1.413
74 2HD1 LEU 12 2HD1 LEU 12 4.537 -3.114 2.489
75 3HD1 LEU 12 3HD1 LEU 12 4.050 -1.418 2.460
76 1HD2 LEU 12 1HD2 LEU 12 7.335 -1.966 0.630
77 2HD2 LEU 12 2HD2 LEU 12 6.624 -0.692 1.614
78 3HD2 LEU 12 3HD2 LEU 12 6.719 -2.333 2.242
79 H GLN 13 H GLN 13 5.317 -2.395 -3.613
80 HA GLN 13 HA GLN 13 6.107 -5.107 -4.373
81 1HB GLN 13 1HB GLN 13 5.155 -3.024 -6.290
82 2HB GLN 13 2HB GLN 13 5.476 -4.726 -6.614
83 1HG GLN 13 1HG GLN 13 3.604 -4.466 -4.473
84 2HG GLN 13 2HG GLN 13 3.047 -3.557 -5.877
85 2HE2 GLN 13 2HE2 GLN 13 3.122 -6.526 -4.400
86 1HE2 GLN 13 1HE2 GLN 13 2.673 -7.518 -5.742
87 H GLU 14 H GLU 14 7.848 -4.095 -3.190
88 HA GLU 14 HA GLU 14 9.744 -2.613 -3.164
89 1HB GLU 14 1HB GLU 14 10.308 -4.987 -3.033
90 2HB GLU 14 2HB GLU 14 10.407 -5.059 -4.787
91 1HG GLU 14 1HG GLU 14 12.160 -3.148 -4.472
92 2HG GLU 14 2HG GLU 14 12.262 -3.789 -2.832
93 H ASN 15 H ASN 15 10.620 -1.024 -4.096
94 HA ASN 15 HA ASN 15 9.957 0.044 -6.517
95 1HB ASN 15 1HB ASN 15 11.570 0.731 -4.401
96 2HB ASN 15 2HB ASN 15 12.677 0.695 -5.766
97 2HD2 ASN 15 2HD2 ASN 15 12.457 3.011 -4.713
98 1HD2 ASN 15 1HD2 ASN 15 11.425 4.073 -5.598
99 HA PRO 16 HA PRO 16 12.400 -2.485 -9.273
100 1HB PRO 16 1HB PRO 16 11.404 -1.569 -11.574
101 2HB PRO 16 2HB PRO 16 10.411 -2.541 -10.479
102 1HG PRO 16 1HG PRO 16 10.399 0.407 -10.933
103 2HG PRO 16 2HG PRO 16 9.042 -0.686 -10.616
104 1HD PRO 16 1HD PRO 16 10.318 0.940 -8.728
105 2HD PRO 16 2HD PRO 16 9.246 -0.426 -8.368
106 H PHE 17 H PHE 17 13.339 0.150 -8.154
107 HA PHE 17 HA PHE 17 15.323 0.709 -10.226
108 1HB PHE 17 1HB PHE 17 13.518 2.411 -10.439
109 2HB PHE 17 2HB PHE 17 13.801 2.877 -8.764
110 HD1 PHE 17 HD1 PHE 17 15.837 4.048 -8.119
111 HD2 PHE 17 HD2 PHE 17 15.041 3.028 -12.172
112 HE1 PHE 17 HE1 PHE 17 17.592 5.614 -8.856
113 HE2 PHE 17 HE2 PHE 17 16.793 4.588 -12.918
114 HZ PHE 17 HZ PHE 17 18.070 5.884 -11.258
115 H PHE 18 H PHE 18 14.241 1.593 -6.971
116 HA PHE 18 HA PHE 18 16.872 2.191 -6.038
117 1HB PHE 18 1HB PHE 18 14.326 2.774 -5.186
118 2HB PHE 18 2HB PHE 18 14.860 1.586 -4.003
119 HD1 PHE 18 HD1 PHE 18 17.437 2.034 -3.282
120 HD2 PHE 18 HD2 PHE 18 14.635 4.955 -4.580
121 HE1 PHE 18 HE1 PHE 18 18.731 3.777 -2.117
122 HE2 PHE 18 HE2 PHE 18 15.923 6.707 -3.422
123 HZ PHE 18 HZ PHE 18 17.972 6.120 -2.189
124 H SER 19 H SER 19 15.119 -0.681 -6.445
125 HA SER 19 HA SER 19 15.920 -2.244 -4.304
126 1HB SER 19 1HB SER 19 14.612 -3.649 -5.462
127 2HB SER 19 2HB SER 19 14.790 -2.678 -6.923
128 HG SER 19 HG SER 19 16.624 -3.825 -7.443
129 H GLN 20 H GLN 20 18.054 -1.875 -3.666
130 HA GLN 20 HA GLN 20 20.081 -2.886 -5.558
131 1HB GLN 20 1HB GLN 20 20.423 -0.747 -3.448
132 2HB GLN 20 2HB GLN 20 21.710 -1.392 -4.459
133 1HG GLN 20 1HG GLN 20 19.446 -0.433 -6.005
134 2HG GLN 20 2HG GLN 20 20.167 0.818 -4.994
135 2HE2 GLN 20 2HE2 GLN 20 21.837 -1.921 -6.414
136 1HE2 GLN 20 1HE2 GLN 20 22.845 -1.000 -7.471
137 HA PRO 21 HA PRO 21 21.534 -5.910 -2.712
138 1HB PRO 21 1HB PRO 21 24.226 -4.669 -2.688
139 2HB PRO 21 2HB PRO 21 23.744 -6.302 -3.160
140 1HG PRO 21 1HG PRO 21 24.444 -4.490 -4.991
141 2HG PRO 21 2HG PRO 21 23.137 -5.649 -5.296
142 1HD PRO 21 1HD PRO 21 22.973 -2.753 -4.568
143 2HD PRO 21 2HD PRO 21 21.975 -3.691 -5.699
144 H GLY 22 H GLY 22 20.183 -4.315 -1.206
145 1HA GLY 22 1HA GLY 22 21.908 -3.136 0.844
146 2HA GLY 22 2HA GLY 22 20.842 -4.446 1.328
147 H ALA 23 H ALA 23 19.484 -2.611 -1.143
148 HA ALA 23 HA ALA 23 17.561 -1.490 0.700
149 1HB ALA 23 1HB ALA 23 18.318 0.602 0.734
150 2HB ALA 23 2HB ALA 23 19.721 0.094 -0.204
151 3HB ALA 23 3HB ALA 23 18.270 0.665 -1.029
152 HA PRO 24 HA PRO 24 15.324 -2.390 -3.029
153 1HB PRO 24 1HB PRO 24 13.801 -4.253 -1.893
154 2HB PRO 24 2HB PRO 24 15.512 -4.563 -2.205
155 1HG PRO 24 1HG PRO 24 14.138 -4.137 0.363
156 2HG PRO 24 2HG PRO 24 15.715 -4.878 0.043
157 1HD PRO 24 1HD PRO 24 15.081 -2.129 0.790
158 2HD PRO 24 2HD PRO 24 16.652 -2.961 0.781
159 H ILE 25 H ILE 25 14.603 -0.044 -2.487
160 HA ILE 25 HA ILE 25 12.576 0.734 -0.938
161 HB ILE 25 HB ILE 25 13.097 1.398 -3.827
162 1HG1 ILE 25 1HG1 ILE 25 14.885 1.945 -2.297
163 2HG1 ILE 25 2HG1 ILE 25 14.038 3.437 -2.714
164 1HG2 ILE 25 1HG2 ILE 25 11.147 2.507 -1.822
165 2HG2 ILE 25 2HG2 ILE 25 11.796 3.527 -3.104
166 3HG2 ILE 25 3HG2 ILE 25 10.854 2.093 -3.510
167 1HD1 ILE 25 1HD1 ILE 25 12.681 3.100 -0.637
168 2HD1 ILE 25 2HD1 ILE 25 13.818 1.829 -0.201
169 3HD1 ILE 25 3HD1 ILE 25 14.384 3.485 -0.389
170 H LEU 26 H LEU 26 10.300 1.416 -2.036
171 HA LEU 26 HA LEU 26 9.041 -0.933 -3.201
172 1HB LEU 26 1HB LEU 26 7.558 0.143 -0.997
173 2HB LEU 26 2HB LEU 26 8.044 -1.519 -1.312
174 HG LEU 26 HG LEU 26 10.175 0.270 -0.479
175 1HD1 LEU 26 1HD1 LEU 26 7.736 0.331 0.943
176 2HD1 LEU 26 2HD1 LEU 26 8.916 -0.532 1.930
177 3HD1 LEU 26 3HD1 LEU 26 9.269 1.092 1.345
178 1HD2 LEU 26 1HD2 LEU 26 10.480 -2.144 -0.798
179 2HD2 LEU 26 2HD2 LEU 26 10.833 -1.656 0.859
180 3HD2 LEU 26 3HD2 LEU 26 9.307 -2.456 0.480
181 H GLN 27 H GLN 27 6.537 -0.314 -2.569
182 HA GLN 27 HA GLN 27 5.424 2.117 -2.881
183 1HB GLN 27 1HB GLN 27 6.737 2.688 -4.773
184 2HB GLN 27 2HB GLN 27 6.414 1.147 -5.555
185 1HG GLN 27 1HG GLN 27 4.989 2.457 -6.731
186 2HG GLN 27 2HG GLN 27 3.918 2.010 -5.405
187 2HE2 GLN 27 2HE2 GLN 27 6.395 4.455 -6.127
188 1HE2 GLN 27 1HE2 GLN 27 5.513 5.785 -5.469
189 H CYS 28 H CYS 28 4.101 0.544 -1.734
190 HA CYS 28 HA CYS 28 2.806 -1.617 -2.265
191 1HB CYS 28 1HB CYS 28 1.677 0.968 -1.324
192 2HB CYS 28 2HB CYS 28 0.550 -0.327 -1.704
193 H MET 29 H MET 29 2.215 -2.544 -4.129
194 HA MET 29 HA MET 29 0.308 -1.160 -5.854
195 1HB MET 29 1HB MET 29 3.085 -1.745 -6.561
196 2HB MET 29 2HB MET 29 1.934 -2.428 -7.700
197 1HG MET 29 1HG MET 29 0.933 -0.216 -8.006
198 2HG MET 29 2HG MET 29 2.105 0.464 -6.878
199 1HE MET 29 1HE MET 29 1.161 -0.225 -10.340
200 2HE MET 29 2HE MET 29 1.661 1.447 -10.096
201 3HE MET 29 3HE MET 29 2.538 0.420 -11.230
202 H GLY 30 H GLY 30 -1.290 -2.506 -6.509
203 1HA GLY 30 1HA GLY 30 -1.342 -5.188 -5.575
204 2HA GLY 30 2HA GLY 30 -1.009 -5.153 -7.297
205 H CYS 31 H CYS 31 -3.386 -5.380 -5.033
206 HA CYS 31 HA CYS 31 -5.461 -4.546 -6.952
207 1HB CYS 31 1HB CYS 31 -6.119 -6.551 -4.879
208 2HB CYS 31 2HB CYS 31 -6.671 -6.430 -6.543
209 H CYS 32 H CYS 32 -7.634 -4.891 -5.355
210 HA CYS 32 HA CYS 32 -8.655 -4.145 -3.329
211 1HB CYS 32 1HB CYS 32 -6.264 -3.396 -2.569
212 2HB CYS 32 2HB CYS 32 -6.745 -1.828 -3.206
213 H PHE 33 H PHE 33 -8.497 -1.026 -3.199
214 HA PHE 33 HA PHE 33 -9.742 0.687 -4.057
215 1HB PHE 33 1HB PHE 33 -9.644 -0.105 -6.851
216 2HB PHE 33 2HB PHE 33 -8.876 1.270 -6.055
217 HD1 PHE 33 HD1 PHE 33 -6.694 0.887 -4.842
218 HD2 PHE 33 HD2 PHE 33 -8.385 -1.968 -7.503
219 HE1 PHE 33 HE1 PHE 33 -4.520 -0.246 -4.994
220 HE2 PHE 33 HE2 PHE 33 -6.214 -3.111 -7.658
221 HZ PHE 33 HZ PHE 33 -4.279 -2.263 -6.384
222 H SER 34 H SER 34 -11.480 0.888 -6.206
223 HA SER 34 HA SER 34 -13.348 -1.336 -5.997
224 1HB SER 34 1HB SER 34 -13.682 1.199 -4.596
225 2HB SER 34 2HB SER 34 -15.041 0.837 -5.659
226 HG SER 34 HG SER 34 -15.442 -0.995 -4.544
227 H ARG 35 H ARG 35 -15.550 -0.222 -7.144
228 HA ARG 35 HA ARG 35 -14.728 -0.041 -9.887
229 1HB ARG 35 1HB ARG 35 -16.996 -0.915 -8.587
230 2HB ARG 35 2HB ARG 35 -17.527 0.594 -9.316
231 1HG ARG 35 1HG ARG 35 -17.297 -0.191 -11.446
232 2HG ARG 35 2HG ARG 35 -16.021 -1.329 -11.006
233 1HD ARG 35 1HD ARG 35 -17.827 -2.575 -9.704
234 2HD ARG 35 2HD ARG 35 -18.984 -1.583 -10.589
235 HE ARG 35 HE ARG 35 -17.710 -2.556 -12.628
236 1HH1 ARG 35 1HH1 ARG 35 -18.470 -4.228 -9.665
237 2HH1 ARG 35 2HH1 ARG 35 -18.526 -5.789 -10.410
238 1HH2 ARG 35 1HH2 ARG 35 -17.787 -4.610 -13.615
239 2HH2 ARG 35 2HH2 ARG 35 -18.137 -6.007 -12.653
240 H ALA 36 H ALA 36 -14.939 1.677 -11.292
241 HA ALA 36 HA ALA 36 -15.278 4.309 -10.014
242 1HB ALA 36 1HB ALA 36 -13.569 5.133 -11.243
243 2HB ALA 36 2HB ALA 36 -13.964 4.147 -12.652
244 3HB ALA 36 3HB ALA 36 -13.086 3.438 -11.296
245 H TYR 37 H TYR 37 -17.285 2.413 -11.294
246 HA TYR 37 HA TYR 37 -18.382 4.320 -13.257
247 1HB TYR 37 1HB TYR 37 -18.002 1.441 -13.388
248 2HB TYR 37 2HB TYR 37 -19.680 1.889 -13.671
249 HD1 TYR 37 HD1 TYR 37 -16.213 2.382 -14.853
250 HD2 TYR 37 HD2 TYR 37 -20.346 2.923 -15.704
251 HE1 TYR 37 HE1 TYR 37 -15.651 2.981 -17.172
252 HE2 TYR 37 HE2 TYR 37 -19.796 3.521 -18.025
253 HH TYR 37 HH TYR 37 -18.118 3.397 -19.610
254 HA PRO 38 HA PRO 38 -21.502 5.145 -10.172
255 1HB PRO 38 1HB PRO 38 -22.964 5.763 -12.716
256 2HB PRO 38 2HB PRO 38 -22.890 6.690 -11.211
257 1HG PRO 38 1HG PRO 38 -21.425 7.444 -13.281
258 2HG PRO 38 2HG PRO 38 -20.731 7.469 -11.649
259 1HD PRO 38 1HD PRO 38 -20.273 5.534 -13.874
260 2HD PRO 38 2HD PRO 38 -19.136 6.135 -12.649
261 H THR 39 H THR 39 -23.976 4.651 -10.075
262 HA THR 39 HA THR 39 -25.241 2.664 -11.486
263 HB THR 39 HB THR 39 -23.541 1.081 -11.053
264 HG1 THR 39 HG1 THR 39 -25.482 0.684 -9.025
265 1HG2 THR 39 1HG2 THR 39 -22.727 2.550 -8.988
266 2HG2 THR 39 2HG2 THR 39 -23.587 1.284 -8.112
267 3HG2 THR 39 3HG2 THR 39 -22.271 0.860 -9.206
268 HA PRO 40 HA PRO 40 -28.801 3.457 -9.020
269 1HB PRO 40 1HB PRO 40 -28.511 0.623 -8.099
270 2HB PRO 40 2HB PRO 40 -29.955 1.481 -8.648
271 1HG PRO 40 1HG PRO 40 -28.488 -0.222 -10.224
272 2HG PRO 40 2HG PRO 40 -29.509 1.083 -10.845
273 1HD PRO 40 1HD PRO 40 -26.637 0.853 -10.949
274 2HD PRO 40 2HD PRO 40 -27.665 2.125 -11.632
275 H LEU 41 H LEU 41 -26.213 1.542 -7.547
276 HA LEU 41 HA LEU 41 -26.854 2.271 -4.861
277 1HB LEU 41 1HB LEU 41 -24.483 0.967 -6.170
278 2HB LEU 41 2HB LEU 41 -24.459 1.394 -4.472
279 HG LEU 41 HG LEU 41 -25.276 -1.008 -5.479
280 1HD1 LEU 41 1HD1 LEU 41 -25.066 0.276 -2.995
281 2HD1 LEU 41 2HD1 LEU 41 -26.647 -0.505 -3.019
282 3HD1 LEU 41 3HD1 LEU 41 -25.190 -1.454 -3.313
283 1HD2 LEU 41 1HD2 LEU 41 -27.298 0.053 -6.433
284 2HD2 LEU 41 2HD2 LEU 41 -27.666 -1.179 -5.226
285 3HD2 LEU 41 3HD2 LEU 41 -27.781 0.530 -4.805
286 H ARG 42 H ARG 42 -24.626 3.065 -3.637
287 HA ARG 42 HA ARG 42 -23.352 5.270 -4.973
288 1HB ARG 42 1HB ARG 42 -25.715 5.710 -3.311
289 2HB ARG 42 2HB ARG 42 -24.318 6.627 -2.762
290 1HG ARG 42 1HG ARG 42 -24.073 7.594 -4.993
291 2HG ARG 42 2HG ARG 42 -25.477 6.677 -5.541
292 1HD ARG 42 1HD ARG 42 -26.348 8.784 -5.062
293 2HD ARG 42 2HD ARG 42 -26.732 7.837 -3.625
294 HE ARG 42 HE ARG 42 -24.687 9.928 -3.837
295 1HH1 ARG 42 1HH1 ARG 42 -26.475 7.650 -1.889
296 2HH1 ARG 42 2HH1 ARG 42 -25.983 8.357 -0.388
297 1HH2 ARG 42 1HH2 ARG 42 -24.030 10.852 -1.861
298 2HH2 ARG 42 2HH2 ARG 42 -24.592 10.173 -0.370
299 H SER 43 H SER 43 -24.036 3.535 -1.994
300 HA SER 43 HA SER 43 -22.799 3.216 -0.089
301 1HB SER 43 1HB SER 43 -20.414 2.943 -1.887
302 2HB SER 43 2HB SER 43 -20.891 1.949 -0.511
303 HG SER 43 HG SER 43 -22.609 1.145 -1.798
304 H LYS 44 H LYS 44 -19.867 3.683 0.032
305 HA LYS 44 HA LYS 44 -18.379 5.286 0.653
306 1HB LYS 44 1HB LYS 44 -20.209 6.920 -1.078
307 2HB LYS 44 2HB LYS 44 -18.919 7.692 -0.166
308 1HG LYS 44 1HG LYS 44 -18.121 7.275 -2.368
309 2HG LYS 44 2HG LYS 44 -17.305 6.155 -1.276
310 1HD LYS 44 1HD LYS 44 -18.096 4.399 -2.392
311 2HD LYS 44 2HD LYS 44 -19.751 5.001 -2.261
312 1HE LYS 44 1HE LYS 44 -19.701 5.977 -4.315
313 2HE LYS 44 2HE LYS 44 -17.977 6.329 -4.227
314 1HZ LYS 44 1HZ LYS 44 -17.739 3.782 -4.417
315 2HZ LYS 44 2HZ LYS 44 -19.317 3.833 -5.025
316 3HZ LYS 44 3HZ LYS 44 -18.082 4.679 -5.811
317 H LYS 45 H LYS 45 -20.592 4.529 2.335
318 HA LYS 45 HA LYS 45 -20.940 7.005 3.894
319 1HB LYS 45 1HB LYS 45 -23.040 5.940 3.012
320 2HB LYS 45 2HB LYS 45 -22.677 4.537 4.006
321 1HG LYS 45 1HG LYS 45 -23.081 5.671 5.986
322 2HG LYS 45 2HG LYS 45 -22.870 7.255 5.238
323 1HD LYS 45 1HD LYS 45 -25.133 7.262 5.320
324 2HD LYS 45 2HD LYS 45 -24.961 6.362 3.811
325 1HE LYS 45 1HE LYS 45 -26.244 4.819 4.804
326 2HE LYS 45 2HE LYS 45 -24.779 4.381 5.682
327 1HZ LYS 45 1HZ LYS 45 -26.543 6.503 6.715
328 2HZ LYS 45 2HZ LYS 45 -26.925 4.877 6.988
329 3HZ LYS 45 3HZ LYS 45 -25.464 5.509 7.557
330 H THR 46 H THR 46 -20.194 3.567 4.014
331 HA THR 46 HA THR 46 -19.357 2.235 5.672
332 HB THR 46 HB THR 46 -17.262 2.991 6.558
333 HG1 THR 46 HG1 THR 46 -18.450 5.282 6.838
334 1HG2 THR 46 1HG2 THR 46 -17.854 3.259 3.829
335 2HG2 THR 46 2HG2 THR 46 -16.849 4.639 4.269
336 3HG2 THR 46 3HG2 THR 46 -16.280 2.999 4.583
337 H MET 47 H MET 47 -18.438 2.535 8.167
338 HA MET 47 HA MET 47 -20.662 2.616 9.772
339 1HB MET 47 1HB MET 47 -17.825 2.451 10.156
340 2HB MET 47 2HB MET 47 -18.508 3.520 11.373
341 1HG MET 47 1HG MET 47 -19.252 1.794 12.529
342 2HG MET 47 2HG MET 47 -20.161 1.210 11.136
343 1HE MET 47 1HE MET 47 -18.985 0.322 9.160
344 2HE MET 47 2HE MET 47 -17.229 0.150 9.112
345 3HE MET 47 3HE MET 47 -18.246 -1.261 9.408
346 H LEU 48 H LEU 48 -18.172 5.136 10.074
347 HA LEU 48 HA LEU 48 -20.232 7.202 9.995
348 1HB LEU 48 1HB LEU 48 -18.555 6.505 12.369
349 2HB LEU 48 2HB LEU 48 -18.999 8.179 12.095
350 HG LEU 48 HG LEU 48 -21.410 6.861 11.855
351 1HD1 LEU 48 1HD1 LEU 48 -19.734 5.539 13.976
352 2HD1 LEU 48 2HD1 LEU 48 -21.498 5.526 13.984
353 3HD1 LEU 48 3HD1 LEU 48 -20.617 4.773 12.654
354 1HD2 LEU 48 1HD2 LEU 48 -20.083 8.322 14.115
355 2HD2 LEU 48 2HD2 LEU 48 -21.286 8.917 12.971
356 3HD2 LEU 48 3HD2 LEU 48 -21.751 7.762 14.220
357 H VAL 49 H VAL 49 -18.958 7.416 7.939
358 HA VAL 49 HA VAL 49 -17.585 8.722 6.669
359 HB VAL 49 HB VAL 49 -16.323 10.041 9.020
360 1HG1 VAL 49 1HG1 VAL 49 -16.285 10.512 6.350
361 2HG1 VAL 49 2HG1 VAL 49 -17.576 11.597 6.864
362 3HG1 VAL 49 3HG1 VAL 49 -15.971 11.733 7.581
363 1HG2 VAL 49 1HG2 VAL 49 -19.240 10.131 8.378
364 2HG2 VAL 49 2HG2 VAL 49 -18.437 10.080 9.947
365 3HG2 VAL 49 3HG2 VAL 49 -18.431 11.569 9.000
366 H GLN 50 H GLN 50 -14.951 9.717 7.778
367 HA GLN 50 HA GLN 50 -13.382 7.540 8.611
368 1HB GLN 50 1HB GLN 50 -14.095 7.301 5.955
369 2HB GLN 50 2HB GLN 50 -12.514 8.064 5.865
370 1HG GLN 50 1HG GLN 50 -11.440 6.219 6.554
371 2HG GLN 50 2HG GLN 50 -12.696 5.791 7.715
372 2HE2 GLN 50 2HE2 GLN 50 -14.660 4.822 6.849
373 1HE2 GLN 50 1HE2 GLN 50 -14.550 3.818 5.448
374 H LYS 51 H LYS 51 -12.149 8.796 9.862
375 HA LYS 51 HA LYS 51 -11.414 11.436 9.390
376 1HB LYS 51 1HB LYS 51 -9.538 9.712 10.929
377 2HB LYS 51 2HB LYS 51 -10.188 11.298 11.323
378 1HG LYS 51 1HG LYS 51 -12.435 9.808 11.430
379 2HG LYS 51 2HG LYS 51 -11.230 8.621 11.931
380 1HD LYS 51 1HD LYS 51 -11.526 11.365 13.146
381 2HD LYS 51 2HD LYS 51 -12.236 9.896 13.817
382 1HE LYS 51 1HE LYS 51 -10.317 9.829 15.000
383 2HE LYS 51 2HE LYS 51 -9.680 9.096 13.529
384 1HZ LYS 51 1HZ LYS 51 -9.333 11.657 12.961
385 2HZ LYS 51 2HZ LYS 51 -9.194 11.736 14.646
386 3HZ LYS 51 3HZ LYS 51 -8.166 10.727 13.759
387 H ASN 52 H ASN 52 -10.819 11.348 7.112
388 HA ASN 52 HA ASN 52 -8.112 11.653 6.660
389 1HB ASN 52 1HB ASN 52 -8.105 9.151 7.069
390 2HB ASN 52 2HB ASN 52 -9.027 8.985 5.579
391 2HD2 ASN 52 2HD2 ASN 52 -6.189 10.836 6.643
392 1HD2 ASN 52 1HD2 ASN 52 -5.189 10.393 5.305
393 H VAL 53 H VAL 53 -8.526 13.289 5.293
394 HA VAL 53 HA VAL 53 -10.609 13.513 3.483
395 HB VAL 53 HB VAL 53 -8.950 15.045 2.199
396 1HG1 VAL 53 1HG1 VAL 53 -10.749 15.627 3.948
397 2HG1 VAL 53 2HG1 VAL 53 -9.391 15.831 5.056
398 3HG1 VAL 53 3HG1 VAL 53 -9.496 16.820 3.598
399 1HG2 VAL 53 1HG2 VAL 53 -7.019 13.815 3.474
400 2HG2 VAL 53 2HG2 VAL 53 -6.906 15.540 3.128
401 3HG2 VAL 53 3HG2 VAL 53 -7.383 14.993 4.735
402 H THR 54 H THR 54 -10.147 13.773 1.007
403 HA THR 54 HA THR 54 -9.942 12.632 -0.957
404 HB THR 54 HB THR 54 -7.693 11.844 -1.480
405 HG1 THR 54 HG1 THR 54 -7.494 10.957 0.799
406 1HG2 THR 54 1HG2 THR 54 -8.219 14.437 -0.385
407 2HG2 THR 54 2HG2 THR 54 -6.557 13.952 -0.051
408 3HG2 THR 54 3HG2 THR 54 -7.154 13.972 -1.712
409 H SER 55 H SER 55 -11.524 11.073 -0.778
410 HA SER 55 HA SER 55 -10.604 8.360 -0.637
411 1HB SER 55 1HB SER 55 -12.841 8.620 1.229
412 2HB SER 55 2HB SER 55 -11.339 7.713 1.394
413 HG SER 55 HG SER 55 -11.558 9.442 2.920
414 H GLU 56 H GLU 56 -11.701 7.252 -2.118
415 HA GLU 56 HA GLU 56 -14.528 7.812 -2.563
416 1HB GLU 56 1HB GLU 56 -14.258 8.028 -4.976
417 2HB GLU 56 2HB GLU 56 -13.343 9.276 -4.140
418 1HG GLU 56 1HG GLU 56 -11.490 7.290 -4.398
419 2HG GLU 56 2HG GLU 56 -12.429 7.121 -5.881
420 H SER 57 H SER 57 -11.711 5.784 -3.171
421 HA SER 57 HA SER 57 -13.528 3.486 -3.387
422 1HB SER 57 1HB SER 57 -11.199 4.134 -5.193
423 2HB SER 57 2HB SER 57 -11.863 2.505 -5.053
424 HG SER 57 HG SER 57 -12.728 4.441 -6.590
425 H THR 58 H THR 58 -10.090 3.215 -3.854
426 HA THR 58 HA THR 58 -9.759 1.300 -1.841
427 HB THR 58 HB THR 58 -7.421 2.964 -2.633
428 HG1 THR 58 HG1 THR 58 -7.732 2.715 -4.673
429 1HG2 THR 58 1HG2 THR 58 -7.823 0.364 -1.632
430 2HG2 THR 58 2HG2 THR 58 -7.180 0.204 -3.265
431 3HG2 THR 58 3HG2 THR 58 -6.306 1.151 -2.063
432 H CYS 59 H CYS 59 -7.498 2.004 -0.430
433 HA CYS 59 HA CYS 59 -7.849 4.458 0.962
434 1HB CYS 59 1HB CYS 59 -9.597 2.678 1.831
435 2HB CYS 59 2HB CYS 59 -8.203 2.100 2.736
436 H CYS 60 H CYS 60 -5.910 2.935 -0.406
437 HA CYS 60 HA CYS 60 -3.951 1.975 1.464
438 1HB CYS 60 1HB CYS 60 -4.206 2.025 -1.404
439 2HB CYS 60 2HB CYS 60 -2.627 2.635 -0.935
440 H VAL 61 H VAL 61 -1.667 3.039 0.440
441 HA VAL 61 HA VAL 61 -0.574 5.165 0.107
442 HB VAL 61 HB VAL 61 -2.752 6.393 0.743
443 1HG1 VAL 61 1HG1 VAL 61 -2.409 5.241 3.156
444 2HG1 VAL 61 2HG1 VAL 61 -1.645 6.804 3.443
445 3HG1 VAL 61 3HG1 VAL 61 -3.321 6.727 2.900
446 1HG2 VAL 61 1HG2 VAL 61 0.031 7.180 0.989
447 2HG2 VAL 61 2HG2 VAL 61 -1.323 8.030 0.246
448 3HG2 VAL 61 3HG2 VAL 61 -1.037 8.174 1.980
449 H ALA 62 H ALA 62 0.018 2.830 1.291
450 HA ALA 62 HA ALA 62 1.175 1.790 2.997
451 1HB ALA 62 1HB ALA 62 2.815 4.293 2.847
452 2HB ALA 62 3HB ALA 62 3.353 2.637 3.134
453 3HB ALA 62 2HB ALA 62 2.758 3.108 1.543
454 H LYS 63 H LYS 63 0.472 1.503 4.993
455 HA LYS 63 HA LYS 63 -0.675 3.380 6.675
456 1HB LYS 63 1HB LYS 63 -0.756 0.882 6.934
457 2HB LYS 63 2HB LYS 63 0.891 0.944 7.539
458 1HG LYS 63 1HG LYS 63 -0.331 2.769 9.130
459 2HG LYS 63 2HG LYS 63 -1.626 1.600 8.871
460 1HD LYS 63 1HD LYS 63 1.098 0.613 9.571
461 2HD LYS 63 2HD LYS 63 0.093 1.307 10.843
462 1HE LYS 63 1HE LYS 63 -1.026 -0.780 9.017
463 2HE LYS 63 2HE LYS 63 0.008 -1.253 10.364
464 1HZ LYS 63 1HZ LYS 63 -2.324 0.511 10.780
465 2HZ LYS 63 2HZ LYS 63 -2.499 -1.171 10.745
466 3HZ LYS 63 3HZ LYS 63 -1.507 -0.447 11.910
467 H SER 64 H SER 64 2.615 2.315 6.298
468 HA SER 64 HA SER 64 3.555 4.722 7.638
469 1HB SER 64 1HB SER 64 4.210 1.906 8.452
470 2HB SER 64 2HB SER 64 5.409 3.180 8.668
471 HG SER 64 HG SER 64 3.027 2.739 10.001
472 H TYR 65 H TYR 65 5.414 5.557 6.693
473 HA TYR 65 HA TYR 65 6.478 3.971 4.448
474 1HB TYR 65 1HB TYR 65 6.931 6.282 3.420
475 2HB TYR 65 2HB TYR 65 5.283 5.668 3.401
476 HD1 TYR 65 HD1 TYR 65 7.575 7.911 5.262
477 HD2 TYR 65 HD2 TYR 65 3.541 6.927 4.338
478 HE1 TYR 65 HE1 TYR 65 6.824 9.968 6.386
479 HE2 TYR 65 HE2 TYR 65 2.776 8.978 5.457
480 HH TYR 65 HH TYR 65 3.954 10.523 7.474
481 H ASN 66 H ASN 66 8.587 4.477 3.701
482 HA ASN 66 HA ASN 66 10.305 5.749 5.744
483 1HB ASN 66 1HB ASN 66 10.368 3.005 5.029
484 2HB ASN 66 2HB ASN 66 11.792 3.749 4.308
485 2HD2 ASN 66 2HD2 ASN 66 13.517 3.677 5.525
486 1HD2 ASN 66 1HD2 ASN 66 13.555 3.690 7.252
487 H ARG 67 H ARG 67 8.979 6.531 3.428
488 HA ARG 67 HA ARG 67 9.566 7.011 1.091
489 1HB ARG 67 1HB ARG 67 8.854 8.785 2.986
490 2HB ARG 67 2HB ARG 67 10.364 9.497 2.436
491 1HG ARG 67 1HG ARG 67 8.713 8.671 0.218
492 2HG ARG 67 2HG ARG 67 7.863 9.790 1.286
493 1HD ARG 67 1HD ARG 67 10.603 10.605 0.808
494 2HD ARG 67 2HD ARG 67 9.698 10.446 -0.693
495 HE ARG 67 HE ARG 67 8.083 12.027 0.237
496 1HH1 ARG 67 1HH1 ARG 67 11.228 11.856 1.748
497 2HH1 ARG 67 2HH1 ARG 67 11.131 13.450 2.414
498 1HH2 ARG 67 1HH2 ARG 67 7.962 14.129 1.110
499 2HH2 ARG 67 2HH2 ARG 67 9.279 14.738 2.056
500 H VAL 68 H VAL 68 11.007 7.092 -0.360
501 HA VAL 68 HA VAL 68 13.677 8.095 0.109
502 HB VAL 68 HB VAL 68 14.793 6.161 0.158
503 1HG1 VAL 68 1HG1 VAL 68 12.652 5.554 1.425
504 2HG1 VAL 68 2HG1 VAL 68 12.254 4.573 0.017
505 3HG1 VAL 68 3HG1 VAL 68 13.721 4.245 0.939
506 1HG2 VAL 68 1HG2 VAL 68 14.414 6.107 -2.369
507 2HG2 VAL 68 2HG2 VAL 68 14.849 4.592 -1.588
508 3HG2 VAL 68 3HG2 VAL 68 13.173 4.901 -2.041
509 H THR 69 H THR 69 13.040 9.698 -1.335
510 HA THR 69 HA THR 69 11.789 9.366 -3.758
511 HB THR 69 HB THR 69 13.749 11.501 -2.931
512 HG1 THR 69 HG1 THR 69 12.032 11.652 -1.613
513 1HG2 THR 69 1HG2 THR 69 13.454 11.473 -5.362
514 2HG2 THR 69 2HG2 THR 69 11.707 11.576 -5.136
515 3HG2 THR 69 3HG2 THR 69 12.743 12.905 -4.616
516 H VAL 70 H VAL 70 12.341 8.628 -5.610
517 HA VAL 70 HA VAL 70 15.188 8.355 -6.311
518 HB VAL 70 HB VAL 70 13.697 6.398 -7.723
519 1HG1 VAL 70 1HG1 VAL 70 15.844 6.325 -5.623
520 2HG1 VAL 70 2HG1 VAL 70 15.235 4.867 -6.405
521 3HG1 VAL 70 3HG1 VAL 70 16.007 6.127 -7.366
522 1HG2 VAL 70 1HG2 VAL 70 13.189 6.423 -4.754
523 2HG2 VAL 70 2HG2 VAL 70 12.005 6.367 -6.059
524 3HG2 VAL 70 3HG2 VAL 70 13.039 4.974 -5.746
525 H MET 71 H MET 71 15.006 7.451 -8.804
526 HA MET 71 HA MET 71 15.093 8.511 -10.870
527 1HB MET 71 1HB MET 71 12.133 8.550 -10.837
528 2HB MET 71 2HB MET 71 13.236 7.835 -12.005
529 1HG MET 71 1HG MET 71 13.496 6.420 -9.571
530 2HG MET 71 2HG MET 71 11.779 6.588 -9.930
531 1HE MET 71 1HE MET 71 10.866 4.395 -10.682
532 2HE MET 71 2HE MET 71 11.847 3.136 -11.432
533 3HE MET 71 3HE MET 71 12.275 3.752 -9.837
534 H GLY 72 H GLY 72 12.438 9.962 -11.628
535 1HA GLY 72 1HA GLY 72 11.946 12.161 -12.031
536 2HA GLY 72 2HA GLY 72 13.489 12.588 -11.308
537 H GLY 73 H GLY 73 12.607 11.003 -8.846
538 1HA GLY 73 1HA GLY 73 10.891 13.130 -7.735
539 2HA GLY 73 2HA GLY 73 12.151 12.313 -6.827
540 H PHE 74 H PHE 74 11.496 9.665 -7.841
541 HA PHE 74 HA PHE 74 8.778 9.071 -7.294
542 1HB PHE 74 1HB PHE 74 11.255 7.452 -7.673
543 2HB PHE 74 2HB PHE 74 9.836 6.678 -6.974
544 HD1 PHE 74 HD1 PHE 74 9.961 9.306 -9.592
545 HD2 PHE 74 HD2 PHE 74 9.122 5.237 -8.666
546 HE1 PHE 74 HE1 PHE 74 9.018 8.993 -11.842
547 HE2 PHE 74 HE2 PHE 74 8.178 4.917 -10.916
548 HZ PHE 74 HZ PHE 74 8.125 6.795 -12.507
549 H LYS 75 H LYS 75 7.884 9.346 -5.402
550 HA LYS 75 HA LYS 75 9.433 8.930 -2.958
551 1HB LYS 75 1HB LYS 75 6.649 9.768 -2.629
552 2HB LYS 75 2HB LYS 75 8.123 10.489 -1.999
553 1HG LYS 75 1HG LYS 75 8.266 11.126 -4.653
554 2HG LYS 75 2HG LYS 75 6.533 11.209 -4.336
555 1HD LYS 75 1HD LYS 75 7.157 12.607 -2.290
556 2HD LYS 75 2HD LYS 75 8.755 12.743 -3.021
557 1HE LYS 75 1HE LYS 75 6.241 14.062 -3.726
558 2HE LYS 75 2HE LYS 75 7.904 14.561 -4.019
559 1HZ LYS 75 1HZ LYS 75 7.260 12.342 -5.653
560 2HZ LYS 75 2HZ LYS 75 6.099 13.553 -5.859
561 3HZ LYS 75 3HZ LYS 75 7.734 13.896 -6.110
562 H VAL 76 H VAL 76 9.519 6.686 -2.893
563 HA VAL 76 HA VAL 76 7.161 5.070 -3.018
564 HB VAL 76 HB VAL 76 8.668 3.163 -2.396
565 1HG1 VAL 76 1HG1 VAL 76 8.777 4.583 -4.733
566 2HG1 VAL 76 2HG1 VAL 76 10.456 4.688 -4.206
567 3HG1 VAL 76 3HG1 VAL 76 9.697 3.114 -4.422
568 1HG2 VAL 76 1HG2 VAL 76 9.995 5.300 -1.104
569 2HG2 VAL 76 2HG2 VAL 76 10.426 3.592 -1.092
570 3HG2 VAL 76 3HG2 VAL 76 11.125 4.674 -2.298
571 H GLU 77 H GLU 77 7.759 7.187 -0.915
572 HA GLU 77 HA GLU 77 7.872 7.259 1.472
573 1HB GLU 77 1HB GLU 77 5.358 5.862 1.734
574 2HB GLU 77 2HB GLU 77 5.678 7.582 1.914
575 1HG GLU 77 1HG GLU 77 5.470 6.444 -0.824
576 2HG GLU 77 2HG GLU 77 3.997 6.672 0.119
577 H ASN 78 H ASN 78 9.381 5.243 0.578
578 HA ASN 78 HA ASN 78 9.518 2.830 0.605
579 1HB ASN 78 1HB ASN 78 11.460 3.825 1.697
580 2HB ASN 78 2HB ASN 78 10.557 3.952 3.202
581 H HIS 79 H HIS 79 7.211 2.467 0.764
582 HA HIS 79 HA HIS 79 5.705 2.492 2.942
583 1HB HIS 79 1HB HIS 79 5.719 0.365 0.812
584 2HB HIS 79 2HB HIS 79 4.417 0.581 1.990
585 HD1 HIS 79 HD1 HIS 79 3.213 1.066 -0.542
586 HD2 HIS 79 HD2 HIS 79 5.638 3.938 1.185
587 HE1 HIS 79 HE1 HIS 79 2.664 3.231 -1.720
588 H THR 80 H THR 80 6.006 1.961 4.835
589 HA THR 80 HA THR 80 7.511 -0.474 5.479
590 HB THR 80 HB THR 80 8.131 0.546 7.519
591 HG1 THR 80 HG1 THR 80 5.862 1.436 7.760
592 1HG2 THR 80 1HG2 THR 80 9.231 1.574 5.547
593 2HG2 THR 80 2HG2 THR 80 8.004 2.840 5.564
594 3HG2 THR 80 3HG2 THR 80 9.109 2.666 6.926
595 H ALA 81 H ALA 81 4.433 0.587 5.111
596 HA ALA 81 HA ALA 81 3.250 -1.684 6.271
597 1HB ALA 81 1HB ALA 81 3.575 -0.526 8.379
598 2HB ALA 81 2HB ALA 81 1.860 -0.544 7.971
599 3HB ALA 81 3HB ALA 81 2.808 0.924 7.730
600 H CYS 82 H CYS 82 1.245 -1.980 5.303
601 HA CYS 82 HA CYS 82 0.275 0.299 3.699
602 1HB CYS 82 1HB CYS 82 1.278 -2.034 2.688
603 2HB CYS 82 2HB CYS 82 -0.447 -2.385 2.734
604 H HIS 83 H HIS 83 -2.025 0.337 3.243
605 HA HIS 83 HA HIS 83 -3.817 -1.402 4.608
606 1HB HIS 83 1HB HIS 83 -4.779 0.247 6.156
607 2HB HIS 83 2HB HIS 83 -3.110 -0.143 6.552
608 HD1 HIS 83 HD1 HIS 83 -4.168 2.407 7.678
609 HD2 HIS 83 HD2 HIS 83 -2.408 2.200 3.919
610 HE1 HIS 83 HE1 HIS 83 -3.391 4.744 7.171
611 HE2 HIS 83 HE2 HIS 83 -2.342 4.600 4.885
612 H CYS 84 H CYS 84 -5.168 -1.593 2.970
613 HA CYS 84 HA CYS 84 -6.286 0.841 1.744
614 1HB CYS 84 1HB CYS 84 -6.396 -0.208 -0.338
615 2HB CYS 84 2HB CYS 84 -4.865 -0.786 0.304
616 H SER 85 H SER 85 -8.535 0.636 0.999
617 HA SER 85 HA SER 85 -10.688 0.462 1.880
618 1HB SER 85 1HB SER 85 -11.683 -1.330 0.822
619 2HB SER 85 2HB SER 85 -10.128 -1.307 -0.008
620 HG SER 85 HG SER 85 -10.490 -3.392 0.648
621 H THR 86 H THR 86 -8.840 0.305 4.017
622 HA THR 86 HA THR 86 -10.472 -0.872 6.011
623 HB THR 86 HB THR 86 -7.835 -2.209 6.098
624 HG1 THR 86 HG1 THR 86 -9.742 -3.427 4.466
625 1HG2 THR 86 1HG2 THR 86 -10.550 -2.700 7.030
626 2HG2 THR 86 2HG2 THR 86 -9.751 -4.128 6.372
627 3HG2 THR 86 3HG2 THR 86 -9.004 -3.229 7.693
628 H CYS 87 H CYS 87 -9.656 1.658 5.789
629 HA CYS 87 HA CYS 87 -7.225 2.157 7.255
630 1HB CYS 87 1HB CYS 87 -9.432 3.985 6.292
631 2HB CYS 87 2HB CYS 87 -7.997 4.552 7.140
632 H TYR 88 H TYR 88 -8.619 0.552 8.855
633 HA TYR 88 HA TYR 88 -9.180 2.257 11.130
634 1HB TYR 88 1HB TYR 88 -11.292 1.031 9.587
635 2HB TYR 88 2HB TYR 88 -11.282 0.390 11.225
636 HD1 TYR 88 HD1 TYR 88 -11.193 3.636 9.383
637 HD2 TYR 88 HD2 TYR 88 -12.370 1.565 12.907
638 HE1 TYR 88 HE1 TYR 88 -12.365 5.650 10.167
639 HE2 TYR 88 HE2 TYR 88 -13.549 3.573 13.699
640 HH TYR 88 HH TYR 88 -14.571 5.882 12.052
641 H TYR 89 H TYR 89 -10.355 0.226 12.731
642 HA TYR 89 HA TYR 89 -9.936 -1.809 13.762
643 1HB TYR 89 1HB TYR 89 -8.613 -2.280 11.452
644 2HB TYR 89 2HB TYR 89 -7.254 -2.203 12.571
645 HD1 TYR 89 HD1 TYR 89 -8.246 -3.430 14.986
646 HD2 TYR 89 HD2 TYR 89 -8.992 -4.509 10.937
647 HE1 TYR 89 HE1 TYR 89 -8.693 -5.744 15.691
648 HE2 TYR 89 HE2 TYR 89 -9.443 -6.824 11.632
649 HH TYR 89 HH TYR 89 -8.663 -8.007 14.702
650 H HIS 90 H HIS 90 -6.686 -0.477 13.155
651 HA HIS 90 HA HIS 90 -6.371 -0.188 16.063
652 1HB HIS 90 1HB HIS 90 -4.748 -1.489 14.323
653 2HB HIS 90 2HB HIS 90 -3.996 0.103 14.328
654 HD1 HIS 90 HD1 HIS 90 -5.499 -1.830 17.236
655 HD2 HIS 90 HD2 HIS 90 -1.880 -0.208 15.994
656 HE1 HIS 90 HE1 HIS 90 -3.919 -2.160 19.165
657 HE2 HIS 90 HE2 HIS 90 -1.739 -1.154 18.400
658 H LYS 91 H LYS 91 -5.881 1.740 16.984
659 HA LYS 91 HA LYS 91 -6.079 4.027 17.160
660 1HB LYS 91 1HB LYS 91 -3.651 3.237 15.903
661 2HB LYS 91 2HB LYS 91 -4.162 4.754 15.177
662 1HG LYS 91 1HG LYS 91 -3.186 5.754 16.901
663 2HG LYS 91 2HG LYS 91 -4.541 5.179 17.874
664 1HD LYS 91 1HD LYS 91 -2.352 4.614 18.865
665 2HD LYS 91 2HD LYS 91 -3.310 3.184 18.475
666 1HE LYS 91 1HE LYS 91 -0.820 3.174 17.859
667 2HE LYS 91 2HE LYS 91 -1.978 2.643 16.641
668 1HZ LYS 91 1HZ LYS 91 -1.294 5.474 16.643
669 2HZ LYS 91 2HZ LYS 91 -0.079 4.409 16.143
670 3HZ LYS 91 3HZ LYS 91 -1.569 4.427 15.343
671 H SER 92 H SER 92 -8.041 4.685 16.407
672 HA SER 92 HA SER 92 -8.730 4.804 13.657
673 1HB SER 92 1HB SER 92 -10.379 4.656 15.536
674 2HB SER 92 2HB SER 92 -10.005 6.333 15.934
675 HG SER 92 HG SER 92 -11.648 6.592 14.589
No H/Q in entry = 675
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 7.515 -8.542 -11.280
2 H2 ALA 1 H2 ALA 1 7.920 -8.171 -12.906
3 H3 ALA 1 H3 ALA 1 8.791 -7.446 -11.619
4 HA ALA 1 HA ALA 1 7.380 -5.839 -11.436
5 1HB ALA 1 1HB ALA 1 7.035 -6.944 -14.033
6 2HB ALA 1 3HB ALA 1 6.873 -5.266 -13.516
7 3HB ALA 1 2HB ALA 1 5.476 -6.342 -13.470
8 HA PRO 2 HA PRO 2 3.013 -7.766 -10.766
9 1HB PRO 2 1HB PRO 2 2.654 -10.384 -11.351
10 2HB PRO 2 2HB PRO 2 2.452 -9.104 -12.554
11 1HG PRO 2 1HG PRO 2 4.790 -10.916 -12.089
12 2HG PRO 2 2HG PRO 2 4.048 -10.418 -13.620
13 1HD PRO 2 1HD PRO 2 6.319 -9.292 -12.647
14 2HD PRO 2 2HD PRO 2 5.151 -8.400 -13.641
15 H ASP 3 H ASP 3 4.126 -11.033 -10.420
16 HA ASP 3 HA ASP 3 4.358 -12.357 -8.579
17 1HB ASP 3 1HB ASP 3 5.819 -10.177 -7.161
18 2HB ASP 3 2HB ASP 3 6.223 -11.885 -7.311
19 H VAL 4 H VAL 4 1.915 -11.280 -8.541
20 HA VAL 4 HA VAL 4 0.144 -11.071 -7.107
21 HB VAL 4 HB VAL 4 2.090 -10.909 -4.808
22 1HG1 VAL 4 1HG1 VAL 4 -0.787 -11.796 -4.988
23 2HG1 VAL 4 2HG1 VAL 4 0.206 -11.824 -3.531
24 3HG1 VAL 4 3HG1 VAL 4 -0.201 -10.286 -4.291
25 1HG2 VAL 4 1HG2 VAL 4 2.066 -12.996 -6.541
26 2HG2 VAL 4 2HG2 VAL 4 2.470 -13.128 -4.829
27 3HG2 VAL 4 3HG2 VAL 4 0.838 -13.504 -5.382
28 H GLN 5 H GLN 5 -0.149 -9.007 -8.100
29 HA GLN 5 HA GLN 5 0.221 -6.811 -6.210
30 1HB GLN 5 1HB GLN 5 2.089 -6.448 -7.623
31 2HB GLN 5 2HB GLN 5 1.165 -6.820 -9.071
32 1HG GLN 5 1HG GLN 5 0.152 -4.556 -7.507
33 2HG GLN 5 2HG GLN 5 1.752 -4.325 -8.209
34 2HE2 GLN 5 2HE2 GLN 5 1.660 -5.535 -10.568
35 1HE2 GLN 5 1HE2 GLN 5 0.438 -4.856 -11.583
36 H ASP 6 H ASP 6 -1.929 -6.669 -5.767
37 HA ASP 6 HA ASP 6 -3.621 -5.673 -7.935
38 1HB ASP 6 1HB ASP 6 -5.440 -7.132 -7.424
39 2HB ASP 6 2HB ASP 6 -4.013 -8.148 -7.611
40 H CYS 7 H CYS 7 -5.838 -4.993 -6.907
41 HA CYS 7 HA CYS 7 -5.258 -2.946 -5.032
42 1HB CYS 7 1HB CYS 7 -7.018 -2.222 -6.251
43 2HB CYS 7 2HB CYS 7 -7.580 -3.855 -6.589
44 HA PRO 8 HA PRO 8 -8.371 -5.766 -2.217
45 1HB PRO 8 1HB PRO 8 -7.016 -8.275 -2.896
46 2HB PRO 8 2HB PRO 8 -8.742 -7.931 -2.784
47 1HG PRO 8 1HG PRO 8 -7.067 -8.045 -5.139
48 2HG PRO 8 2HG PRO 8 -8.825 -7.867 -5.039
49 1HD PRO 8 1HD PRO 8 -7.129 -5.901 -5.924
50 2HD PRO 8 2HD PRO 8 -8.721 -5.585 -5.204
51 H GLU 9 H GLU 9 -7.306 -4.871 -0.520
52 HA GLU 9 HA GLU 9 -6.004 -5.000 1.369
53 1HB GLU 9 1HB GLU 9 -5.807 -7.455 0.937
54 2HB GLU 9 2HB GLU 9 -4.394 -7.124 -0.055
55 1HG GLU 9 1HG GLU 9 -3.196 -6.268 1.836
56 2HG GLU 9 2HG GLU 9 -4.629 -6.394 2.853
57 H CYS 10 H CYS 10 -4.815 -3.248 1.654
58 HA CYS 10 HA CYS 10 -2.990 -2.328 -0.395
59 1HB CYS 10 1HB CYS 10 -4.544 -1.068 1.543
60 2HB CYS 10 2HB CYS 10 -2.895 -0.870 2.128
61 H THR 11 H THR 11 -0.747 -1.925 -0.054
62 HA THR 11 HA THR 11 0.601 -2.724 2.310
63 HB THR 11 HB THR 11 0.897 -4.910 1.985
64 HG1 THR 11 HG1 THR 11 2.174 -5.623 0.291
65 1HG2 THR 11 1HG2 THR 11 -0.738 -4.382 -0.430
66 2HG2 THR 11 2HG2 THR 11 0.066 -5.944 -0.265
67 3HG2 THR 11 3HG2 THR 11 -1.077 -5.404 0.967
68 H LEU 12 H LEU 12 2.777 -3.764 0.329
69 HA LEU 12 HA LEU 12 3.706 -1.088 -0.433
70 1HB LEU 12 1HB LEU 12 5.010 -3.333 0.891
71 2HB LEU 12 2HB LEU 12 5.945 -2.613 -0.406
72 HG LEU 12 HG LEU 12 5.219 -0.368 0.918
73 1HD1 LEU 12 1HD1 LEU 12 4.174 -2.130 2.613
74 2HD1 LEU 12 2HD1 LEU 12 5.831 -2.141 3.217
75 3HD1 LEU 12 3HD1 LEU 12 4.926 -0.629 3.156
76 1HD2 LEU 12 1HD2 LEU 12 7.491 -1.595 0.293
77 2HD2 LEU 12 2HD2 LEU 12 7.405 -0.205 1.370
78 3HD2 LEU 12 3HD2 LEU 12 7.525 -1.827 2.042
79 H GLN 13 H GLN 13 4.109 -0.702 -2.511
80 HA GLN 13 HA GLN 13 3.865 -2.940 -4.364
81 1HB GLN 13 1HB GLN 13 3.823 0.012 -4.852
82 2HB GLN 13 2HB GLN 13 3.534 -1.234 -6.064
83 1HG GLN 13 1HG GLN 13 1.838 -1.708 -3.841
84 2HG GLN 13 2HG GLN 13 1.687 -0.019 -4.319
85 2HE2 GLN 13 2HE2 GLN 13 0.117 -2.699 -4.620
86 1HE2 GLN 13 1HE2 GLN 13 -0.432 -2.632 -6.258
87 H GLU 14 H GLU 14 6.101 -2.912 -3.018
88 HA GLU 14 HA GLU 14 8.404 -2.003 -3.241
89 1HB GLU 14 1HB GLU 14 7.731 -4.602 -3.380
90 2HB GLU 14 2HB GLU 14 8.532 -4.409 -4.932
91 1HG GLU 14 1HG GLU 14 10.565 -3.835 -3.948
92 2HG GLU 14 2HG GLU 14 9.821 -3.490 -2.389
93 H ASN 15 H ASN 15 9.512 -0.741 -4.423
94 HA ASN 15 HA ASN 15 8.772 0.000 -7.018
95 1HB ASN 15 1HB ASN 15 10.260 1.109 -5.001
96 2HB ASN 15 2HB ASN 15 11.431 0.839 -6.287
97 2HD2 ASN 15 2HD2 ASN 15 8.532 2.471 -5.357
98 1HD2 ASN 15 1HD2 ASN 15 8.519 3.617 -6.648
99 HA PRO 16 HA PRO 16 11.325 -3.119 -9.035
100 1HB PRO 16 1HB PRO 16 9.722 -2.691 -11.383
101 2HB PRO 16 2HB PRO 16 9.716 -4.096 -10.317
102 1HG PRO 16 1HG PRO 16 7.619 -2.331 -10.577
103 2HG PRO 16 2HG PRO 16 7.894 -3.361 -9.162
104 1HD PRO 16 1HD PRO 16 8.533 -0.462 -9.555
105 2HD PRO 16 2HD PRO 16 7.921 -1.297 -8.111
106 H PHE 17 H PHE 17 10.964 0.053 -9.168
107 HA PHE 17 HA PHE 17 12.457 0.611 -11.603
108 1HB PHE 17 1HB PHE 17 10.404 1.942 -10.717
109 2HB PHE 17 2HB PHE 17 11.543 2.637 -9.568
110 HD1 PHE 17 HD1 PHE 17 13.888 3.268 -10.915
111 HD2 PHE 17 HD2 PHE 17 9.918 3.336 -12.437
112 HE1 PHE 17 HE1 PHE 17 14.567 4.933 -12.598
113 HE2 PHE 17 HE2 PHE 17 10.585 5.000 -14.127
114 HZ PHE 17 HZ PHE 17 12.914 5.801 -14.208
115 H PHE 18 H PHE 18 12.592 1.663 -8.215
116 HA PHE 18 HA PHE 18 15.402 2.256 -8.398
117 1HB PHE 18 1HB PHE 18 13.836 2.133 -5.839
118 2HB PHE 18 2HB PHE 18 15.192 3.178 -6.250
119 HD1 PHE 18 HD1 PHE 18 14.690 4.738 -8.355
120 HD2 PHE 18 HD2 PHE 18 11.757 3.097 -5.753
121 HE1 PHE 18 HE1 PHE 18 13.124 6.522 -9.008
122 HE2 PHE 18 HE2 PHE 18 10.183 4.876 -6.398
123 HZ PHE 18 HZ PHE 18 10.866 6.591 -8.028
124 H SER 19 H SER 19 13.770 -0.544 -8.167
125 HA SER 19 HA SER 19 14.849 -1.982 -6.075
126 1HB SER 19 1HB SER 19 13.812 -3.748 -7.046
127 2HB SER 19 2HB SER 19 13.212 -2.566 -8.208
128 HG SER 19 HG SER 19 14.964 -4.600 -8.566
129 H GLN 20 H GLN 20 16.962 -1.903 -5.588
130 HA GLN 20 HA GLN 20 18.929 -2.335 -7.729
131 1HB GLN 20 1HB GLN 20 20.376 -1.645 -5.492
132 2HB GLN 20 2HB GLN 20 19.886 -0.541 -6.770
133 1HG GLN 20 1HG GLN 20 18.085 0.280 -5.535
134 2HG GLN 20 2HG GLN 20 18.113 -1.085 -4.418
135 2HE2 GLN 20 2HE2 GLN 20 18.025 1.439 -3.438
136 1HE2 GLN 20 1HE2 GLN 20 19.534 1.852 -2.705
137 HA PRO 21 HA PRO 21 20.492 -6.159 -6.207
138 1HB PRO 21 1HB PRO 21 23.032 -4.962 -5.253
139 2HB PRO 21 2HB PRO 21 22.768 -6.237 -6.448
140 1HG PRO 21 1HG PRO 21 23.507 -3.780 -7.192
141 2HG PRO 21 2HG PRO 21 22.364 -4.731 -8.160
142 1HD PRO 21 1HD PRO 21 21.832 -2.463 -6.281
143 2HD PRO 21 2HD PRO 21 21.078 -2.831 -7.847
144 H GLY 22 H GLY 22 18.814 -5.559 -4.409
145 1HA GLY 22 1HA GLY 22 20.217 -5.552 -1.807
146 2HA GLY 22 2HA GLY 22 18.875 -6.635 -2.145
147 H ALA 23 H ALA 23 17.662 -4.293 -3.725
148 HA ALA 23 HA ALA 23 15.987 -3.350 -1.625
149 1HB ALA 23 2HB ALA 23 17.305 -1.668 -0.943
150 2HB ALA 23 1HB ALA 23 18.312 -1.737 -2.388
151 3HB ALA 23 3HB ALA 23 16.779 -0.869 -2.426
152 HA PRO 24 HA PRO 24 13.817 -3.096 -5.487
153 1HB PRO 24 1HB PRO 24 11.768 -4.550 -4.711
154 2HB PRO 24 2HB PRO 24 13.353 -5.311 -4.891
155 1HG PRO 24 1HG PRO 24 11.965 -4.420 -2.392
156 2HG PRO 24 2HG PRO 24 12.907 -5.892 -2.683
157 1HD PRO 24 1HD PRO 24 13.828 -3.534 -1.507
158 2HD PRO 24 2HD PRO 24 14.830 -4.863 -2.127
159 H ILE 25 H ILE 25 13.824 -1.177 -3.169
160 HA ILE 25 HA ILE 25 12.392 0.287 -2.078
161 HB ILE 25 HB ILE 25 12.395 0.986 -5.014
162 1HG1 ILE 25 1HG1 ILE 25 14.585 0.898 -4.160
163 2HG1 ILE 25 2HG1 ILE 25 14.137 2.599 -3.995
164 1HG2 ILE 25 1HG2 ILE 25 11.343 2.401 -2.605
165 2HG2 ILE 25 2HG2 ILE 25 12.144 3.343 -3.859
166 3HG2 ILE 25 3HG2 ILE 25 10.711 2.399 -4.249
167 1HD1 ILE 25 1HD1 ILE 25 13.327 1.924 -1.652
168 2HD1 ILE 25 2HD1 ILE 25 14.324 0.490 -1.893
169 3HD1 ILE 25 3HD1 ILE 25 15.060 2.093 -1.932
170 H LEU 26 H LEU 26 10.217 1.702 -2.716
171 HA LEU 26 HA LEU 26 8.070 -0.106 -3.413
172 1HB LEU 26 1HB LEU 26 7.770 1.038 -0.762
173 2HB LEU 26 2HB LEU 26 7.419 -0.590 -1.333
174 HG LEU 26 HG LEU 26 10.232 0.148 -1.174
175 1HD1 LEU 26 1HD1 LEU 26 8.644 0.769 1.003
176 2HD1 LEU 26 2HD1 LEU 26 9.432 -0.751 1.417
177 3HD1 LEU 26 3HD1 LEU 26 10.400 0.645 0.956
178 1HD2 LEU 26 1HD2 LEU 26 8.741 -2.184 -1.429
179 2HD2 LEU 26 2HD2 LEU 26 10.490 -2.054 -1.238
180 3HD2 LEU 26 3HD2 LEU 26 9.462 -2.268 0.179
181 H GLN 27 H GLN 27 6.140 0.971 -1.999
182 HA GLN 27 HA GLN 27 5.642 3.598 -1.774
183 1HB GLN 27 1HB GLN 27 6.461 4.007 -4.022
184 2HB GLN 27 2HB GLN 27 5.351 2.816 -4.684
185 1HG GLN 27 1HG GLN 27 4.124 4.638 -5.150
186 2HG GLN 27 2HG GLN 27 3.596 4.451 -3.478
187 2HE2 GLN 27 2HE2 GLN 27 4.564 6.654 -5.637
188 1HE2 GLN 27 1HE2 GLN 27 5.278 7.830 -4.591
189 H CYS 28 H CYS 28 4.558 1.707 -0.481
190 HA CYS 28 HA CYS 28 2.604 0.118 -0.802
191 1HB CYS 28 1HB CYS 28 2.169 2.584 0.883
192 2HB CYS 28 2HB CYS 28 1.227 1.104 1.008
193 H MET 29 H MET 29 0.973 -0.240 -2.086
194 HA MET 29 HA MET 29 -0.992 1.803 -2.626
195 1HB MET 29 1HB MET 29 1.025 1.877 -4.373
196 2HB MET 29 2HB MET 29 0.095 0.581 -5.112
197 1HG MET 29 1HG MET 29 -1.590 1.951 -5.739
198 2HG MET 29 2HG MET 29 -1.393 3.015 -4.347
199 1HE MET 29 1HE MET 29 -1.866 3.144 -7.503
200 2HE MET 29 2HE MET 29 -0.896 4.445 -8.194
201 3HE MET 29 3HE MET 29 -0.353 2.772 -8.331
202 H GLY 30 H GLY 30 -2.936 0.897 -2.702
203 1HA GLY 30 1HA GLY 30 -3.238 -1.925 -2.473
204 2HA GLY 30 2HA GLY 30 -3.710 -1.376 -4.075
205 H CYS 31 H CYS 31 -5.053 -2.338 -1.384
206 HA CYS 31 HA CYS 31 -6.983 -0.173 -1.064
207 1HB CYS 31 1HB CYS 31 -7.750 -2.975 -1.905
208 2HB CYS 31 2HB CYS 31 -8.888 -1.737 -1.383
209 H CYS 32 H CYS 32 -7.232 0.143 1.037
210 HA CYS 32 HA CYS 32 -6.238 -1.515 3.041
211 1HB CYS 32 1HB CYS 32 -6.791 0.922 3.269
212 2HB CYS 32 2HB CYS 32 -8.491 0.476 3.349
213 H PHE 33 H PHE 33 -9.696 -0.857 2.469
214 HA PHE 33 HA PHE 33 -10.716 -3.329 2.139
215 1HB PHE 33 1HB PHE 33 -9.688 -3.030 4.870
216 2HB PHE 33 2HB PHE 33 -11.362 -3.568 4.803
217 HD1 PHE 33 HD1 PHE 33 -9.378 -4.497 1.968
218 HD2 PHE 33 HD2 PHE 33 -10.457 -5.639 5.922
219 HE1 PHE 33 HE1 PHE 33 -8.617 -6.790 1.507
220 HE2 PHE 33 HE2 PHE 33 -9.697 -7.936 5.470
221 HZ PHE 33 HZ PHE 33 -8.775 -8.513 3.259
222 H SER 34 H SER 34 -11.542 -1.404 5.000
223 HA SER 34 HA SER 34 -13.689 -0.665 5.553
224 1HB SER 34 1HB SER 34 -12.120 1.189 4.530
225 2HB SER 34 2HB SER 34 -13.316 1.191 3.234
226 HG SER 34 HG SER 34 -13.503 2.133 5.804
227 H ARG 35 H ARG 35 -15.126 -2.300 5.041
228 HA ARG 35 HA ARG 35 -16.107 -3.396 2.886
229 1HB ARG 35 1HB ARG 35 -17.243 -3.814 4.919
230 2HB ARG 35 2HB ARG 35 -17.726 -2.133 5.088
231 1HG ARG 35 1HG ARG 35 -18.899 -2.795 2.724
232 2HG ARG 35 2HG ARG 35 -18.990 -4.318 3.611
233 1HD ARG 35 1HD ARG 35 -19.754 -1.804 5.009
234 2HD ARG 35 2HD ARG 35 -20.873 -2.483 3.827
235 HE ARG 35 HE ARG 35 -20.352 -4.617 5.337
236 1HH1 ARG 35 1HH1 ARG 35 -21.141 -1.340 6.203
237 2HH1 ARG 35 2HH1 ARG 35 -21.922 -1.781 7.686
238 1HH2 ARG 35 1HH2 ARG 35 -21.384 -5.212 7.281
239 2HH2 ARG 35 2HH2 ARG 35 -22.059 -3.985 8.300
240 H ALA 36 H ALA 36 -17.251 -2.997 1.058
241 HA ALA 36 HA ALA 36 -18.182 -0.252 0.575
242 1HB ALA 36 1HB ALA 36 -15.892 -0.766 -0.442
243 2HB ALA 36 3HB ALA 36 -17.125 -0.097 -1.512
244 3HB ALA 36 2HB ALA 36 -16.761 -1.822 -1.555
245 H TYR 37 H TYR 37 -18.582 -1.303 -2.310
246 HA TYR 37 HA TYR 37 -20.838 -3.105 -1.832
247 1HB TYR 37 1HB TYR 37 -21.751 -0.816 -1.833
248 2HB TYR 37 2HB TYR 37 -21.044 -0.541 -3.422
249 HD1 TYR 37 HD1 TYR 37 -22.113 -3.873 -3.268
250 HD2 TYR 37 HD2 TYR 37 -23.607 0.086 -3.704
251 HE1 TYR 37 HE1 TYR 37 -24.148 -4.764 -4.324
252 HE2 TYR 37 HE2 TYR 37 -25.645 -0.792 -4.759
253 HH TYR 37 HH TYR 37 -26.929 -2.886 -4.822
254 HA PRO 38 HA PRO 38 -18.423 -3.924 -5.775
255 1HB PRO 38 1HB PRO 38 -16.653 -5.765 -4.996
256 2HB PRO 38 2HB PRO 38 -16.347 -4.042 -4.738
257 1HG PRO 38 1HG PRO 38 -17.291 -6.111 -2.797
258 2HG PRO 38 2HG PRO 38 -16.126 -4.798 -2.556
259 1HD PRO 38 1HD PRO 38 -18.792 -4.718 -1.801
260 2HD PRO 38 2HD PRO 38 -17.764 -3.296 -2.058
261 H THR 39 H THR 39 -19.648 -5.195 -7.030
262 HA THR 39 HA THR 39 -21.160 -7.351 -5.976
263 HB THR 39 HB THR 39 -20.697 -6.543 -8.840
264 HG1 THR 39 HG1 THR 39 -21.861 -5.141 -7.166
265 1HG2 THR 39 1HG2 THR 39 -22.504 -8.573 -7.624
266 2HG2 THR 39 2HG2 THR 39 -23.025 -7.671 -9.047
267 3HG2 THR 39 3HG2 THR 39 -21.559 -8.650 -9.111
268 HA PRO 40 HA PRO 40 -17.851 -9.947 -8.228
269 1HB PRO 40 1HB PRO 40 -15.603 -8.715 -8.998
270 2HB PRO 40 2HB PRO 40 -17.087 -8.611 -9.951
271 1HG PRO 40 1HG PRO 40 -15.833 -6.586 -8.173
272 2HG PRO 40 2HG PRO 40 -16.783 -6.353 -9.649
273 1HD PRO 40 1HD PRO 40 -17.719 -6.135 -6.984
274 2HD PRO 40 2HD PRO 40 -18.711 -6.156 -8.453
275 H LEU 41 H LEU 41 -17.436 -11.061 -6.365
276 HA LEU 41 HA LEU 41 -15.002 -10.302 -4.899
277 1HB LEU 41 1HB LEU 41 -17.588 -11.290 -3.685
278 2HB LEU 41 2HB LEU 41 -16.072 -11.160 -2.814
279 HG LEU 41 HG LEU 41 -17.635 -8.869 -4.005
280 1HD1 LEU 41 1HD1 LEU 41 -17.475 -10.098 -1.325
281 2HD1 LEU 41 2HD1 LEU 41 -17.459 -8.337 -1.388
282 3HD1 LEU 41 3HD1 LEU 41 -18.800 -9.233 -2.102
283 1HD2 LEU 41 1HD2 LEU 41 -14.868 -9.106 -3.091
284 2HD2 LEU 41 2HD2 LEU 41 -15.634 -7.865 -4.083
285 3HD2 LEU 41 3HD2 LEU 41 -15.767 -7.798 -2.325
286 H ARG 42 H ARG 42 -17.394 -12.864 -5.436
287 HA ARG 42 HA ARG 42 -15.188 -14.798 -5.647
288 1HB ARG 42 1HB ARG 42 -16.903 -16.481 -4.705
289 2HB ARG 42 2HB ARG 42 -16.106 -15.391 -3.579
290 1HG ARG 42 1HG ARG 42 -18.161 -14.975 -2.827
291 2HG ARG 42 2HG ARG 42 -18.327 -13.963 -4.264
292 1HD ARG 42 1HD ARG 42 -19.823 -15.344 -5.180
293 2HD ARG 42 2HD ARG 42 -18.847 -16.766 -4.815
294 HE ARG 42 HE ARG 42 -19.931 -16.046 -2.416
295 1HH1 ARG 42 1HH1 ARG 42 -21.199 -16.822 -5.562
296 2HH1 ARG 42 2HH1 ARG 42 -22.687 -17.462 -4.949
297 1HH2 ARG 42 1HH2 ARG 42 -21.888 -16.891 -1.595
298 2HH2 ARG 42 2HH2 ARG 42 -23.079 -17.502 -2.695
299 H SER 43 H SER 43 -17.221 -13.176 -7.389
300 HA SER 43 HA SER 43 -17.365 -15.066 -9.502
301 1HB SER 43 1HB SER 43 -19.276 -16.073 -8.743
302 2HB SER 43 2HB SER 43 -19.760 -14.672 -7.786
303 HG SER 43 HG SER 43 -20.910 -13.991 -9.407
304 H LYS 44 H LYS 44 -17.493 -14.008 -11.419
305 HA LYS 44 HA LYS 44 -17.592 -11.123 -11.333
306 1HB LYS 44 1HB LYS 44 -16.746 -13.178 -13.281
307 2HB LYS 44 2HB LYS 44 -17.366 -11.683 -13.967
308 1HG LYS 44 1HG LYS 44 -15.209 -11.734 -11.879
309 2HG LYS 44 2HG LYS 44 -14.873 -11.808 -13.609
310 1HD LYS 44 1HD LYS 44 -16.681 -9.653 -12.677
311 2HD LYS 44 2HD LYS 44 -14.975 -9.507 -12.253
312 1HE LYS 44 1HE LYS 44 -14.385 -9.014 -14.354
313 2HE LYS 44 2HE LYS 44 -15.406 -10.284 -15.029
314 1HZ LYS 44 1HZ LYS 44 -17.307 -8.660 -14.451
315 2HZ LYS 44 2HZ LYS 44 -16.091 -7.485 -14.419
316 3HZ LYS 44 3HZ LYS 44 -16.375 -8.371 -15.832
317 H LYS 45 H LYS 45 -20.026 -11.852 -10.566
318 HA LYS 45 HA LYS 45 -21.943 -12.348 -12.545
319 1HB LYS 45 1HB LYS 45 -21.917 -11.610 -9.761
320 2HB LYS 45 2HB LYS 45 -23.142 -10.678 -10.612
321 1HG LYS 45 1HG LYS 45 -23.244 -13.442 -11.402
322 2HG LYS 45 2HG LYS 45 -23.358 -13.284 -9.648
323 1HD LYS 45 1HD LYS 45 -25.123 -11.515 -10.055
324 2HD LYS 45 2HD LYS 45 -25.122 -12.032 -11.743
325 1HE LYS 45 1HE LYS 45 -25.436 -14.091 -9.614
326 2HE LYS 45 2HE LYS 45 -26.809 -13.053 -9.994
327 1HZ LYS 45 1HZ LYS 45 -25.514 -14.152 -12.316
328 2HZ LYS 45 2HZ LYS 45 -26.170 -15.331 -11.297
329 3HZ LYS 45 3HZ LYS 45 -27.157 -14.104 -11.917
330 H THR 46 H THR 46 -23.338 -10.963 -13.690
331 HA THR 46 HA THR 46 -22.587 -8.127 -13.774
332 HB THR 46 HB THR 46 -23.220 -9.467 -16.358
333 HG1 THR 46 HG1 THR 46 -21.661 -10.846 -15.821
334 1HG2 THR 46 1HG2 THR 46 -22.730 -6.976 -16.019
335 2HG2 THR 46 2HG2 THR 46 -21.050 -7.480 -15.828
336 3HG2 THR 46 3HG2 THR 46 -21.909 -7.822 -17.331
337 H MET 47 H MET 47 -24.386 -7.152 -13.089
338 HA MET 47 HA MET 47 -26.790 -7.346 -14.637
339 1HB MET 47 1HB MET 47 -26.862 -9.312 -13.001
340 2HB MET 47 2HB MET 47 -27.045 -8.108 -11.733
341 1HG MET 47 1HG MET 47 -28.944 -7.414 -13.633
342 2HG MET 47 2HG MET 47 -28.999 -9.174 -13.565
343 1HE MET 47 1HE MET 47 -28.061 -9.889 -11.079
344 2HE MET 47 2HE MET 47 -28.305 -8.852 -9.673
345 3HE MET 47 3HE MET 47 -29.499 -10.087 -10.076
346 H LEU 48 H LEU 48 -25.582 -5.124 -14.585
347 HA LEU 48 HA LEU 48 -25.371 -2.974 -13.761
348 1HB LEU 48 1HB LEU 48 -28.198 -2.792 -13.088
349 2HB LEU 48 2HB LEU 48 -27.278 -1.943 -14.318
350 HG LEU 48 HG LEU 48 -28.195 -4.784 -14.696
351 1HD1 LEU 48 1HD1 LEU 48 -30.147 -3.359 -14.223
352 2HD1 LEU 48 2HD1 LEU 48 -29.655 -2.284 -15.532
353 3HD1 LEU 48 3HD1 LEU 48 -30.125 -3.946 -15.886
354 1HD2 LEU 48 1HD2 LEU 48 -26.368 -3.634 -16.109
355 2HD2 LEU 48 2HD2 LEU 48 -27.678 -4.474 -16.939
356 3HD2 LEU 48 3HD2 LEU 48 -27.704 -2.716 -16.805
357 H VAL 49 H VAL 49 -24.239 -2.975 -11.865
358 HA VAL 49 HA VAL 49 -25.814 -2.628 -9.441
359 HB VAL 49 HB VAL 49 -23.760 -4.077 -8.392
360 1HG1 VAL 49 1HG1 VAL 49 -26.265 -4.168 -7.989
361 2HG1 VAL 49 2HG1 VAL 49 -26.326 -5.367 -9.280
362 3HG1 VAL 49 3HG1 VAL 49 -25.383 -5.687 -7.825
363 1HG2 VAL 49 1HG2 VAL 49 -23.913 -4.832 -11.162
364 2HG2 VAL 49 2HG2 VAL 49 -22.811 -5.397 -9.910
365 3HG2 VAL 49 3HG2 VAL 49 -24.368 -6.191 -10.136
366 H GLN 50 H GLN 50 -25.224 -0.500 -9.365
367 HA GLN 50 HA GLN 50 -23.183 0.426 -7.923
368 1HB GLN 50 1HB GLN 50 -21.351 -0.265 -9.103
369 2HB GLN 50 2HB GLN 50 -22.214 -0.291 -10.634
370 1HG GLN 50 1HG GLN 50 -21.876 2.401 -9.602
371 2HG GLN 50 2HG GLN 50 -20.344 1.565 -9.832
372 2HE2 GLN 50 2HE2 GLN 50 -19.858 3.039 -11.510
373 1HE2 GLN 50 1HE2 GLN 50 -20.557 2.861 -13.080
374 H LYS 51 H LYS 51 -24.769 1.965 -7.506
375 HA LYS 51 HA LYS 51 -25.034 4.032 -9.576
376 1HB LYS 51 1HB LYS 51 -27.096 2.785 -9.591
377 2HB LYS 51 2HB LYS 51 -27.240 2.915 -7.845
378 1HG LYS 51 1HG LYS 51 -28.064 5.010 -7.931
379 2HG LYS 51 2HG LYS 51 -27.067 5.462 -9.313
380 1HD LYS 51 1HD LYS 51 -29.705 5.151 -9.500
381 2HD LYS 51 2HD LYS 51 -28.614 4.770 -10.832
382 1HE LYS 51 1HE LYS 51 -30.248 2.993 -10.496
383 2HE LYS 51 2HE LYS 51 -28.616 2.419 -10.170
384 1HZ LYS 51 1HZ LYS 51 -30.219 3.432 -7.934
385 2HZ LYS 51 2HZ LYS 51 -30.571 1.894 -8.545
386 3HZ LYS 51 3HZ LYS 51 -29.026 2.234 -7.945
387 H ASN 52 H ASN 52 -23.640 3.490 -6.818
388 HA ASN 52 HA ASN 52 -22.918 5.874 -5.993
389 1HB ASN 52 1HB ASN 52 -25.802 5.618 -5.414
390 2HB ASN 52 2HB ASN 52 -24.820 6.250 -4.097
391 2HD2 ASN 52 2HD2 ASN 52 -25.713 8.290 -4.226
392 1HD2 ASN 52 1HD2 ASN 52 -25.372 9.374 -5.526
393 H VAL 53 H VAL 53 -21.906 5.945 -4.005
394 HA VAL 53 HA VAL 53 -22.390 4.012 -1.952
395 HB VAL 53 HB VAL 53 -20.267 2.842 -2.050
396 1HG1 VAL 53 1HG1 VAL 53 -22.245 1.959 -3.297
397 2HG1 VAL 53 2HG1 VAL 53 -21.566 2.670 -4.762
398 3HG1 VAL 53 3HG1 VAL 53 -20.687 1.403 -3.907
399 1HG2 VAL 53 1HG2 VAL 53 -19.662 4.883 -4.041
400 2HG2 VAL 53 2HG2 VAL 53 -18.577 3.922 -3.036
401 3HG2 VAL 53 3HG2 VAL 53 -19.201 3.257 -4.547
402 H THR 54 H THR 54 -19.879 4.040 -0.735
403 HA THR 54 HA THR 54 -19.867 6.296 0.775
404 HB THR 54 HB THR 54 -17.136 5.635 0.456
405 HG1 THR 54 HG1 THR 54 -17.077 3.560 0.080
406 1HG2 THR 54 1HG2 THR 54 -19.234 5.211 2.464
407 2HG2 THR 54 2HG2 THR 54 -17.875 4.086 2.523
408 3HG2 THR 54 3HG2 THR 54 -17.588 5.821 2.641
409 H SER 55 H SER 55 -17.058 5.973 -1.309
410 HA SER 55 HA SER 55 -17.129 7.696 -3.260
411 1HB SER 55 1HB SER 55 -17.505 9.267 -0.753
412 2HB SER 55 2HB SER 55 -16.496 9.970 -2.017
413 HG SER 55 HG SER 55 -19.216 9.582 -1.944
414 H GLU 56 H GLU 56 -15.388 5.828 -2.656
415 HA GLU 56 HA GLU 56 -13.131 5.478 -2.950
416 1HB GLU 56 1HB GLU 56 -13.288 8.195 -3.384
417 2HB GLU 56 2HB GLU 56 -12.171 8.086 -2.030
418 1HG GLU 56 1HG GLU 56 -11.836 6.456 -4.527
419 2HG GLU 56 2HG GLU 56 -11.170 8.079 -4.353
420 H SER 57 H SER 57 -12.977 4.072 -1.260
421 HA SER 57 HA SER 57 -13.091 4.758 1.460
422 1HB SER 57 1HB SER 57 -11.559 2.485 1.445
423 2HB SER 57 2HB SER 57 -13.321 2.510 1.371
424 HG SER 57 HG SER 57 -11.932 1.353 -0.338
425 H THR 58 H THR 58 -10.935 3.752 2.745
426 HA THR 58 HA THR 58 -9.055 5.895 2.544
427 HB THR 58 HB THR 58 -7.834 4.521 4.325
428 HG1 THR 58 HG1 THR 58 -9.004 2.823 5.205
429 1HG2 THR 58 1HG2 THR 58 -10.547 5.673 4.594
430 2HG2 THR 58 2HG2 THR 58 -9.901 4.740 5.945
431 3HG2 THR 58 3HG2 THR 58 -9.027 6.151 5.351
432 H CYS 59 H CYS 59 -6.648 5.414 2.549
433 HA CYS 59 HA CYS 59 -5.894 3.152 0.882
434 1HB CYS 59 1HB CYS 59 -4.681 4.542 -0.723
435 2HB CYS 59 2HB CYS 59 -6.395 4.940 -0.725
436 H CYS 60 H CYS 60 -4.047 2.288 1.506
437 HA CYS 60 HA CYS 60 -2.715 3.002 3.806
438 1HB CYS 60 1HB CYS 60 -0.896 1.505 3.007
439 2HB CYS 60 2HB CYS 60 -2.499 0.795 2.876
440 H VAL 61 H VAL 61 -1.189 4.402 4.360
441 HA VAL 61 HA VAL 61 0.325 5.774 2.239
442 HB VAL 61 HB VAL 61 -1.069 6.999 4.611
443 1HG1 VAL 61 1HG1 VAL 61 1.469 7.780 3.406
444 2HG1 VAL 61 2HG1 VAL 61 0.266 9.070 3.402
445 3HG1 VAL 61 3HG1 VAL 61 0.725 8.296 4.919
446 1HG2 VAL 61 1HG2 VAL 61 -2.096 6.731 2.249
447 2HG2 VAL 61 2HG2 VAL 61 -2.224 8.289 3.067
448 3HG2 VAL 61 3HG2 VAL 61 -1.011 8.050 1.809
449 H ALA 62 H ALA 62 1.666 3.835 3.032
450 HA ALA 62 HA ALA 62 3.208 2.892 4.492
451 1HB ALA 62 1HB ALA 62 4.168 4.928 2.847
452 2HB ALA 62 3HB ALA 62 5.076 3.594 3.561
453 3HB ALA 62 2HB ALA 62 4.974 5.141 4.400
454 H LYS 63 H LYS 63 2.383 2.749 6.545
455 HA LYS 63 HA LYS 63 1.990 4.696 8.448
456 1HB LYS 63 1HB LYS 63 1.406 2.375 8.855
457 2HB LYS 63 2HB LYS 63 3.093 1.893 8.750
458 1HG LYS 63 1HG LYS 63 2.698 1.904 11.024
459 2HG LYS 63 2HG LYS 63 3.444 3.479 10.748
460 1HD LYS 63 1HD LYS 63 1.638 4.536 11.495
461 2HD LYS 63 2HD LYS 63 0.589 3.629 10.404
462 1HE LYS 63 1HE LYS 63 -0.081 3.247 12.700
463 2HE LYS 63 2HE LYS 63 0.572 1.762 12.005
464 1HZ LYS 63 1HZ LYS 63 2.719 2.348 13.084
465 2HZ LYS 63 2HZ LYS 63 1.930 3.611 13.886
466 3HZ LYS 63 3HZ LYS 63 1.470 2.010 14.174
467 H SER 64 H SER 64 4.862 3.205 7.270
468 HA SER 64 HA SER 64 6.532 5.228 8.553
469 1HB SER 64 1HB SER 64 8.132 2.947 8.571
470 2HB SER 64 2HB SER 64 7.400 3.711 9.979
471 HG SER 64 HG SER 64 6.862 1.500 9.848
472 H TYR 65 H TYR 65 8.931 4.646 7.571
473 HA TYR 65 HA TYR 65 8.745 3.839 4.799
474 1HB TYR 65 1HB TYR 65 9.792 6.132 4.142
475 2HB TYR 65 2HB TYR 65 8.048 5.966 4.287
476 HD1 TYR 65 HD1 TYR 65 10.576 6.364 6.989
477 HD2 TYR 65 HD2 TYR 65 7.329 8.111 4.867
478 HE1 TYR 65 HE1 TYR 65 10.553 8.235 8.581
479 HE2 TYR 65 HE2 TYR 65 7.296 9.988 6.454
480 HH TYR 65 HH TYR 65 9.097 11.094 8.039
481 H ASN 66 H ASN 66 10.769 3.995 3.653
482 HA ASN 66 HA ASN 66 13.111 4.274 5.395
483 1HB ASN 66 1HB ASN 66 12.175 1.787 4.353
484 2HB ASN 66 2HB ASN 66 13.669 2.208 3.522
485 2HD2 ASN 66 2HD2 ASN 66 15.467 2.916 4.969
486 1HD2 ASN 66 1HD2 ASN 66 15.681 2.038 6.442
487 H ARG 67 H ARG 67 11.719 5.797 3.547
488 HA ARG 67 HA ARG 67 12.058 6.395 1.146
489 1HB ARG 67 1HB ARG 67 13.206 8.637 1.691
490 2HB ARG 67 2HB ARG 67 11.665 8.272 2.461
491 1HG ARG 67 1HG ARG 67 12.582 7.996 4.505
492 2HG ARG 67 2HG ARG 67 14.137 7.467 3.861
493 1HD ARG 67 1HD ARG 67 14.768 9.536 4.553
494 2HD ARG 67 2HD ARG 67 14.148 9.982 2.963
495 HE ARG 67 HE ARG 67 12.545 11.203 4.023
496 1HH1 ARG 67 1HH1 ARG 67 13.682 8.739 6.196
497 2HH1 ARG 67 2HH1 ARG 67 12.687 9.255 7.516
498 1HH2 ARG 67 1HH2 ARG 67 11.224 11.899 5.758
499 2HH2 ARG 67 2HH2 ARG 67 11.287 11.049 7.267
500 H VAL 68 H VAL 68 13.338 6.263 -0.486
501 HA VAL 68 HA VAL 68 16.240 6.152 -0.107
502 HB VAL 68 HB VAL 68 16.495 4.290 -1.567
503 1HG1 VAL 68 1HG1 VAL 68 14.863 4.083 0.777
504 2HG1 VAL 68 2HG1 VAL 68 14.381 2.853 -0.387
505 3HG1 VAL 68 3HG1 VAL 68 16.056 2.947 0.152
506 1HG2 VAL 68 1HG2 VAL 68 14.200 5.192 -2.790
507 2HG2 VAL 68 2HG2 VAL 68 15.059 3.702 -3.176
508 3HG2 VAL 68 3HG2 VAL 68 13.690 3.672 -2.065
509 H THR 69 H THR 69 14.942 8.397 -0.780
510 HA THR 69 HA THR 69 14.119 9.288 -3.042
511 HB THR 69 HB THR 69 16.656 10.315 -1.786
512 HG1 THR 69 HG1 THR 69 14.257 11.691 -1.671
513 1HG2 THR 69 1HG2 THR 69 14.911 11.647 -3.841
514 2HG2 THR 69 2HG2 THR 69 16.212 12.425 -2.938
515 3HG2 THR 69 3HG2 THR 69 16.578 11.120 -4.065
516 H VAL 70 H VAL 70 14.303 8.791 -5.058
517 HA VAL 70 HA VAL 70 16.928 8.001 -6.131
518 HB VAL 70 HB VAL 70 14.688 6.987 -7.658
519 1HG1 VAL 70 1HG1 VAL 70 17.285 6.066 -6.594
520 2HG1 VAL 70 2HG1 VAL 70 16.081 4.822 -6.927
521 3HG1 VAL 70 3HG1 VAL 70 16.598 5.915 -8.211
522 1HG2 VAL 70 1HG2 VAL 70 14.563 6.689 -4.761
523 2HG2 VAL 70 2HG2 VAL 70 13.346 6.345 -5.988
524 3HG2 VAL 70 3HG2 VAL 70 14.582 5.147 -5.610
525 H MET 71 H MET 71 16.399 7.797 -8.702
526 HA MET 71 HA MET 71 16.624 9.127 -10.544
527 1HB MET 71 1HB MET 71 13.833 9.765 -9.609
528 2HB MET 71 2HB MET 71 14.447 10.116 -11.220
529 1HG MET 71 1HG MET 71 14.677 7.854 -11.741
530 2HG MET 71 2HG MET 71 14.466 7.365 -10.061
531 1HE MET 71 1HE MET 71 12.531 10.019 -12.108
532 2HE MET 71 2HE MET 71 12.597 8.730 -13.310
533 3HE MET 71 3HE MET 71 11.054 9.178 -12.582
534 H GLY 72 H GLY 72 14.715 11.604 -10.540
535 1HA GLY 72 1HA GLY 72 15.160 13.844 -10.558
536 2HA GLY 72 2HA GLY 72 16.800 13.478 -10.045
537 H GLY 73 H GLY 73 15.256 11.892 -7.787
538 1HA GLY 73 1HA GLY 73 14.831 14.271 -6.092
539 2HA GLY 73 2HA GLY 73 15.648 12.825 -5.515
540 H PHE 74 H PHE 74 13.892 10.926 -6.739
541 HA PHE 74 HA PHE 74 11.191 11.417 -6.025
542 1HB PHE 74 1HB PHE 74 12.783 8.987 -6.749
543 2HB PHE 74 2HB PHE 74 11.171 8.787 -6.070
544 HD1 PHE 74 HD1 PHE 74 12.734 11.063 -8.584
545 HD2 PHE 74 HD2 PHE 74 9.575 8.366 -7.657
546 HE1 PHE 74 HE1 PHE 74 11.759 11.446 -10.810
547 HE2 PHE 74 HE2 PHE 74 8.596 8.742 -9.883
548 HZ PHE 74 HZ PHE 74 9.688 10.284 -11.463
549 H LYS 75 H LYS 75 10.226 9.502 -4.492
550 HA LYS 75 HA LYS 75 11.776 9.084 -2.110
551 1HB LYS 75 1HB LYS 75 9.763 11.271 -2.265
552 2HB LYS 75 2HB LYS 75 9.839 10.328 -0.784
553 1HG LYS 75 1HG LYS 75 12.486 10.949 -1.364
554 2HG LYS 75 2HG LYS 75 11.580 12.419 -1.728
555 1HD LYS 75 1HD LYS 75 11.141 10.910 0.828
556 2HD LYS 75 2HD LYS 75 12.449 12.084 0.671
557 1HE LYS 75 1HE LYS 75 11.035 13.774 0.964
558 2HE LYS 75 2HE LYS 75 10.006 13.196 -0.345
559 1HZ LYS 75 1HZ LYS 75 8.916 11.710 1.223
560 2HZ LYS 75 2HZ LYS 75 9.901 12.276 2.478
561 3HZ LYS 75 3HZ LYS 75 8.794 13.317 1.736
562 H VAL 76 H VAL 76 11.233 6.922 -2.335
563 HA VAL 76 HA VAL 76 8.459 6.106 -2.395
564 HB VAL 76 HB VAL 76 9.408 3.726 -2.294
565 1HG1 VAL 76 1HG1 VAL 76 9.578 5.624 -4.418
566 2HG1 VAL 76 2HG1 VAL 76 11.097 4.729 -4.420
567 3HG1 VAL 76 3HG1 VAL 76 9.566 3.865 -4.530
568 1HG2 VAL 76 1HG2 VAL 76 11.591 5.243 -1.278
569 2HG2 VAL 76 2HG2 VAL 76 11.492 3.499 -1.504
570 3HG2 VAL 76 3HG2 VAL 76 12.143 4.521 -2.785
571 H GLU 77 H GLU 77 10.108 7.420 -0.195
572 HA GLU 77 HA GLU 77 10.554 7.055 2.093
573 1HB GLU 77 1HB GLU 77 7.931 6.290 2.846
574 2HB GLU 77 2HB GLU 77 8.610 7.911 2.896
575 1HG GLU 77 1HG GLU 77 7.854 8.299 0.622
576 2HG GLU 77 2HG GLU 77 7.216 6.660 0.544
577 H ASN 78 H ASN 78 11.160 4.979 0.491
578 HA ASN 78 HA ASN 78 10.629 2.663 0.153
579 1HB ASN 78 1HB ASN 78 13.025 3.207 0.765
580 2HB ASN 78 2HB ASN 78 12.619 2.734 2.414
581 H HIS 79 H HIS 79 8.513 3.017 1.021
582 HA HIS 79 HA HIS 79 7.490 2.896 3.394
583 1HB HIS 79 1HB HIS 79 6.592 1.296 1.023
584 2HB HIS 79 2HB HIS 79 5.634 1.446 2.503
585 HD1 HIS 79 HD1 HIS 79 3.980 2.794 0.654
586 HD2 HIS 79 HD2 HIS 79 7.480 4.593 1.944
587 HE1 HIS 79 HE1 HIS 79 3.731 5.250 0.120
588 H THR 80 H THR 80 7.639 1.913 5.141
589 HA THR 80 HA THR 80 8.628 -0.863 5.157
590 HB THR 80 HB THR 80 9.725 -0.427 7.191
591 HG1 THR 80 HG1 THR 80 8.487 0.684 8.507
592 1HG2 THR 80 1HG2 THR 80 9.945 1.760 5.202
593 2HG2 THR 80 2HG2 THR 80 10.746 1.970 6.758
594 3HG2 THR 80 3HG2 THR 80 11.149 0.590 5.738
595 H ALA 81 H ALA 81 5.961 1.099 5.778
596 HA ALA 81 HA ALA 81 4.370 -1.104 6.647
597 1HB ALA 81 1HB ALA 81 5.394 -0.459 8.810
598 2HB ALA 81 2HB ALA 81 3.648 -0.211 8.786
599 3HB ALA 81 3HB ALA 81 4.736 1.164 8.610
600 H CYS 82 H CYS 82 2.266 -0.724 5.967
601 HA CYS 82 HA CYS 82 1.743 2.022 5.034
602 1HB CYS 82 1HB CYS 82 0.155 -0.210 3.898
603 2HB CYS 82 2HB CYS 82 0.768 1.248 3.130
604 H HIS 83 H HIS 83 0.129 3.121 5.857
605 HA HIS 83 HA HIS 83 -2.009 1.674 7.274
606 1HB HIS 83 1HB HIS 83 -2.065 3.284 8.987
607 2HB HIS 83 2HB HIS 83 -0.349 2.987 8.731
608 HD1 HIS 83 HD1 HIS 83 -2.459 5.677 9.386
609 HD2 HIS 83 HD2 HIS 83 0.561 5.066 6.598
610 HE1 HIS 83 HE1 HIS 83 -1.727 7.976 8.673
611 HE2 HIS 83 HE2 HIS 83 0.157 7.581 7.047
612 H CYS 84 H CYS 84 -3.870 1.904 6.238
613 HA CYS 84 HA CYS 84 -4.259 3.829 4.192
614 1HB CYS 84 1HB CYS 84 -6.509 2.920 3.995
615 2HB CYS 84 2HB CYS 84 -5.333 1.620 4.146
616 H SER 85 H SER 85 -5.616 5.594 4.079
617 HA SER 85 HA SER 85 -7.301 6.525 6.101
618 1HB SER 85 1HB SER 85 -5.813 7.231 7.644
619 2HB SER 85 2HB SER 85 -4.459 7.089 6.524
620 HG SER 85 HG SER 85 -6.133 9.271 7.037
621 H THR 86 H THR 86 -7.573 9.055 5.865
622 HA THR 86 HA THR 86 -8.689 9.707 3.538
623 HB THR 86 HB THR 86 -8.736 11.264 5.366
624 HG1 THR 86 HG1 THR 86 -9.056 12.331 3.476
625 1HG2 THR 86 1HG2 THR 86 -5.931 10.928 5.422
626 2HG2 THR 86 2HG2 THR 86 -6.269 12.634 5.122
627 3HG2 THR 86 3HG2 THR 86 -6.956 11.834 6.536
628 H CYS 87 H CYS 87 -8.164 10.225 1.486
629 HA CYS 87 HA CYS 87 -5.296 10.304 0.809
630 1HB CYS 87 1HB CYS 87 -7.452 9.533 -1.139
631 2HB CYS 87 2HB CYS 87 -5.728 9.182 -1.207
632 H TYR 88 H TYR 88 -5.384 11.195 -1.749
633 HA TYR 88 HA TYR 88 -5.215 13.240 -2.783
634 1HB TYR 88 1HB TYR 88 -7.690 12.205 -3.034
635 2HB TYR 88 2HB TYR 88 -8.097 13.732 -2.264
636 HD1 TYR 88 HD1 TYR 88 -5.165 13.668 -4.418
637 HD2 TYR 88 HD2 TYR 88 -9.369 14.319 -4.303
638 HE1 TYR 88 HE1 TYR 88 -5.045 14.791 -6.598
639 HE2 TYR 88 HE2 TYR 88 -9.258 15.443 -6.486
640 HH TYR 88 HH TYR 88 -6.650 15.239 -8.531
641 H TYR 89 H TYR 89 -4.332 13.575 -0.261
642 HA TYR 89 HA TYR 89 -5.428 15.199 1.561
643 1HB TYR 89 1HB TYR 89 -2.910 16.398 1.134
644 2HB TYR 89 2HB TYR 89 -3.323 15.150 2.303
645 HD1 TYR 89 HD1 TYR 89 -2.844 15.157 -1.417
646 HD2 TYR 89 HD2 TYR 89 -1.727 13.498 2.340
647 HE1 TYR 89 HE1 TYR 89 -1.334 13.587 -2.562
648 HE2 TYR 89 HE2 TYR 89 -0.216 11.928 1.204
649 HH TYR 89 HH TYR 89 -0.349 11.155 -1.894
650 H HIS 90 H HIS 90 -5.215 17.547 1.975
651 HA HIS 90 HA HIS 90 -5.490 19.147 -0.475
652 1HB HIS 90 1HB HIS 90 -7.346 20.383 0.534
653 2HB HIS 90 2HB HIS 90 -7.730 18.671 0.406
654 HD1 HIS 90 HD1 HIS 90 -8.797 20.975 2.493
655 HD2 HIS 90 HD2 HIS 90 -6.333 17.720 3.263
656 HE1 HIS 90 HE1 HIS 90 -9.050 20.506 4.951
657 HE2 HIS 90 HE2 HIS 90 -7.494 18.576 5.406
658 H LYS 91 H LYS 91 -3.141 19.367 0.313
659 HA LYS 91 HA LYS 91 -1.537 20.842 0.981
660 1HB LYS 91 1HB LYS 91 -3.528 22.687 2.219
661 2HB LYS 91 2HB LYS 91 -2.068 23.061 1.315
662 1HG LYS 91 1HG LYS 91 -3.191 23.243 -0.587
663 2HG LYS 91 2HG LYS 91 -4.016 21.705 -0.333
664 1HD LYS 91 1HD LYS 91 -5.813 22.685 0.712
665 2HD LYS 91 2HD LYS 91 -4.869 24.071 1.266
666 1HE LYS 91 1HE LYS 91 -5.723 23.538 -1.578
667 2HE LYS 91 2HE LYS 91 -6.465 24.701 -0.481
668 1HZ LYS 91 1HZ LYS 91 -4.314 25.855 -0.369
669 2HZ LYS 91 2HZ LYS 91 -3.680 24.778 -1.510
670 3HZ LYS 91 3HZ LYS 91 -4.942 25.819 -1.940
671 H SER 92 H SER 92 -4.039 21.363 3.457
672 HA SER 92 HA SER 92 -2.071 20.713 5.515
673 1HB SER 92 1HB SER 92 -4.588 21.449 6.641
674 2HB SER 92 2HB SER 92 -3.078 22.359 6.651
675 HG SER 92 HG SER 92 -5.318 22.866 5.292
No H/Q in entry = 675
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 -4.883 4.692 -8.149
2 H2 ALA 1 H2 ALA 1 -3.168 4.725 -8.207
3 H3 ALA 1 H3 ALA 1 -4.012 5.731 -7.101
4 HA ALA 1 HA ALA 1 -4.891 7.029 -8.801
5 1HB ALA 1 2HB ALA 1 -3.013 8.204 -9.055
6 2HB ALA 1 1HB ALA 1 -2.223 6.907 -9.952
7 3HB ALA 1 3HB ALA 1 -2.210 6.894 -8.188
8 HA PRO 2 HA PRO 2 -5.493 3.869 -12.189
9 1HB PRO 2 1HB PRO 2 -8.020 4.858 -12.741
10 2HB PRO 2 2HB PRO 2 -7.680 3.497 -11.667
11 1HG PRO 2 1HG PRO 2 -8.199 6.361 -10.991
12 2HG PRO 2 2HG PRO 2 -8.754 4.894 -10.164
13 1HD PRO 2 1HD PRO 2 -6.722 6.353 -9.204
14 2HD PRO 2 2HD PRO 2 -6.719 4.580 -9.093
15 H ASP 3 H ASP 3 -6.805 4.635 -14.395
16 HA ASP 3 HA ASP 3 -6.917 6.117 -16.161
17 1HB ASP 3 1HB ASP 3 -5.122 8.055 -14.726
18 2HB ASP 3 2HB ASP 3 -6.349 8.379 -15.948
19 H VAL 4 H VAL 4 -4.089 5.013 -14.604
20 HA VAL 4 HA VAL 4 -2.183 5.768 -16.580
21 HB VAL 4 HB VAL 4 -1.751 3.327 -14.928
22 1HG1 VAL 4 1HG1 VAL 4 -0.183 5.074 -16.466
23 2HG1 VAL 4 2HG1 VAL 4 0.269 5.359 -14.786
24 3HG1 VAL 4 3HG1 VAL 4 0.367 3.732 -15.462
25 1HG2 VAL 4 1HG2 VAL 4 -2.468 5.963 -13.856
26 2HG2 VAL 4 2HG2 VAL 4 -2.498 4.376 -13.087
27 3HG2 VAL 4 3HG2 VAL 4 -0.984 5.275 -13.198
28 H GLN 5 H GLN 5 -1.173 2.827 -16.535
29 HA GLN 5 HA GLN 5 -3.003 1.708 -18.525
30 1HB GLN 5 1HB GLN 5 -0.146 2.472 -18.952
31 2HB GLN 5 2HB GLN 5 -0.786 1.064 -19.784
32 1HG GLN 5 1HG GLN 5 -2.720 2.844 -20.340
33 2HG GLN 5 2HG GLN 5 -1.337 3.928 -20.195
34 2HE2 GLN 5 2HE2 GLN 5 -1.085 0.618 -21.303
35 1HE2 GLN 5 1HE2 GLN 5 -0.681 0.996 -22.938
36 H ASP 6 H ASP 6 -2.145 1.108 -15.710
37 HA ASP 6 HA ASP 6 -2.205 -1.676 -15.840
38 1HB ASP 6 1HB ASP 6 0.214 -1.053 -16.668
39 2HB ASP 6 2HB ASP 6 0.530 -0.843 -14.949
40 H CYS 7 H CYS 7 -2.138 -2.677 -13.745
41 HA CYS 7 HA CYS 7 -1.527 -1.367 -11.356
42 1HB CYS 7 1HB CYS 7 -3.865 -0.338 -12.501
43 2HB CYS 7 2HB CYS 7 -4.423 -1.428 -11.235
44 HA PRO 8 HA PRO 8 -2.545 -5.816 -10.948
45 1HB PRO 8 1HB PRO 8 -0.158 -6.663 -10.121
46 2HB PRO 8 2HB PRO 8 -0.454 -6.294 -11.826
47 1HG PRO 8 1HG PRO 8 0.939 -4.658 -9.745
48 2HG PRO 8 2HG PRO 8 1.363 -4.898 -11.449
49 1HD PRO 8 1HD PRO 8 0.010 -2.697 -10.434
50 2HD PRO 8 2HD PRO 8 -0.001 -3.206 -12.134
51 H GLU 9 H GLU 9 -3.633 -4.230 -9.103
52 HA GLU 9 HA GLU 9 -4.340 -4.295 -6.932
53 1HB GLU 9 1HB GLU 9 -2.939 -6.755 -7.267
54 2HB GLU 9 2HB GLU 9 -2.532 -6.103 -5.686
55 1HG GLU 9 1HG GLU 9 -4.518 -6.633 -4.857
56 2HG GLU 9 2HG GLU 9 -5.365 -5.909 -6.222
57 H CYS 10 H CYS 10 -3.460 -3.984 -4.621
58 HA CYS 10 HA CYS 10 -1.315 -1.999 -4.777
59 1HB CYS 10 1HB CYS 10 -2.467 -0.875 -3.216
60 2HB CYS 10 2HB CYS 10 -3.761 -2.044 -3.446
61 H THR 11 H THR 11 0.525 -2.072 -3.476
62 HA THR 11 HA THR 11 1.194 -3.529 -1.339
63 HB THR 11 HB THR 11 2.447 -5.486 -2.704
64 HG1 THR 11 HG1 THR 11 1.042 -6.329 -4.219
65 1HG2 THR 11 1HG2 THR 11 -0.134 -5.410 -1.262
66 2HG2 THR 11 2HG2 THR 11 0.315 -6.883 -2.125
67 3HG2 THR 11 3HG2 THR 11 1.372 -6.241 -0.869
68 H LEU 12 H LEU 12 3.479 -4.051 -1.083
69 HA LEU 12 HA LEU 12 5.123 -2.003 -2.176
70 1HB LEU 12 1HB LEU 12 5.440 -4.241 -0.298
71 2HB LEU 12 2HB LEU 12 6.891 -3.770 -1.161
72 HG LEU 12 HG LEU 12 5.817 -1.355 -0.252
73 1HD1 LEU 12 1HD1 LEU 12 4.493 -3.136 1.219
74 2HD1 LEU 12 2HD1 LEU 12 5.988 -3.075 2.154
75 3HD1 LEU 12 3HD1 LEU 12 5.063 -1.599 1.871
76 1HD2 LEU 12 1HD2 LEU 12 8.178 -2.751 -0.300
77 2HD2 LEU 12 2HD2 LEU 12 7.922 -1.148 0.381
78 3HD2 LEU 12 3HD2 LEU 12 7.854 -2.567 1.423
79 H GLN 13 H GLN 13 5.817 -2.005 -4.198
80 HA GLN 13 HA GLN 13 6.325 -4.581 -5.450
81 1HB GLN 13 1HB GLN 13 6.108 -1.896 -6.738
82 2HB GLN 13 2HB GLN 13 6.164 -3.459 -7.551
83 1HG GLN 13 1HG GLN 13 4.075 -3.468 -5.609
84 2HG GLN 13 2HG GLN 13 3.901 -2.058 -6.650
85 2HE2 GLN 13 2HE2 GLN 13 2.680 -4.917 -6.281
86 1HE2 GLN 13 1HE2 GLN 13 2.467 -5.443 -7.913
87 H GLU 14 H GLU 14 8.063 -4.124 -3.760
88 HA GLU 14 HA GLU 14 10.213 -2.932 -3.460
89 1HB GLU 14 1HB GLU 14 10.282 -5.275 -2.972
90 2HB GLU 14 2HB GLU 14 10.428 -5.665 -4.681
91 1HG GLU 14 1HG GLU 14 12.543 -4.001 -4.329
92 2HG GLU 14 2HG GLU 14 12.459 -4.801 -2.760
93 H ASN 15 H ASN 15 11.295 -1.537 -4.438
94 HA ASN 15 HA ASN 15 11.222 -0.947 -7.103
95 1HB ASN 15 1HB ASN 15 12.333 0.201 -4.866
96 2HB ASN 15 2HB ASN 15 13.701 -0.070 -5.946
97 2HD2 ASN 15 2HD2 ASN 15 10.567 1.400 -5.640
98 1HD2 ASN 15 1HD2 ASN 15 10.777 2.570 -6.892
99 HA PRO 16 HA PRO 16 14.081 -4.134 -8.484
100 1HB PRO 16 1HB PRO 16 12.997 -3.871 -11.109
101 2HB PRO 16 2HB PRO 16 12.717 -5.183 -9.966
102 1HG PRO 16 1HG PRO 16 10.817 -3.325 -10.814
103 2HG PRO 16 2HG PRO 16 10.675 -4.383 -9.402
104 1HD PRO 16 1HD PRO 16 11.381 -1.500 -9.551
105 2HD PRO 16 2HD PRO 16 10.552 -2.397 -8.264
106 H PHE 17 H PHE 17 13.669 -0.979 -8.847
107 HA PHE 17 HA PHE 17 15.633 -0.464 -10.928
108 1HB PHE 17 1HB PHE 17 13.453 0.853 -10.631
109 2HB PHE 17 2HB PHE 17 14.194 1.548 -9.193
110 HD1 PHE 17 HD1 PHE 17 16.741 0.921 -11.466
111 HD2 PHE 17 HD2 PHE 17 13.530 3.609 -10.724
112 HE1 PHE 17 HE1 PHE 17 17.848 2.619 -12.866
113 HE2 PHE 17 HE2 PHE 17 14.628 5.315 -12.124
114 HZ PHE 17 HZ PHE 17 16.790 4.819 -13.195
115 H PHE 18 H PHE 18 15.032 0.385 -7.541
116 HA PHE 18 HA PHE 18 17.786 1.198 -7.162
117 1HB PHE 18 1HB PHE 18 15.684 1.052 -5.018
118 2HB PHE 18 2HB PHE 18 17.077 2.128 -5.123
119 HD1 PHE 18 HD1 PHE 18 16.946 3.208 -7.753
120 HD2 PHE 18 HD2 PHE 18 13.768 2.358 -5.072
121 HE1 PHE 18 HE1 PHE 18 15.568 4.913 -8.865
122 HE2 PHE 18 HE2 PHE 18 12.377 4.064 -6.176
123 HZ PHE 18 HZ PHE 18 13.277 5.345 -8.074
124 H SER 19 H SER 19 16.147 -1.659 -7.139
125 HA SER 19 HA SER 19 16.888 -3.047 -4.894
126 1HB SER 19 1HB SER 19 16.166 -4.866 -6.027
127 2HB SER 19 2HB SER 19 15.752 -3.720 -7.302
128 HG SER 19 HG SER 19 17.222 -4.613 -8.489
129 H GLN 20 H GLN 20 18.829 -2.615 -4.024
130 HA GLN 20 HA GLN 20 21.244 -2.973 -5.645
131 1HB GLN 20 1HB GLN 20 20.544 -1.052 -3.795
132 2HB GLN 20 2HB GLN 20 21.567 -2.130 -2.856
133 1HG GLN 20 1HG GLN 20 23.330 -1.106 -3.690
134 2HG GLN 20 2HG GLN 20 22.898 -1.725 -5.285
135 2HE2 GLN 20 2HE2 GLN 20 24.082 0.364 -5.773
136 1HE2 GLN 20 1HE2 GLN 20 23.109 1.781 -5.929
137 HA PRO 21 HA PRO 21 22.417 -6.832 -3.869
138 1HB PRO 21 1HB PRO 21 25.040 -5.624 -3.164
139 2HB PRO 21 2HB PRO 21 24.687 -7.038 -4.164
140 1HG PRO 21 1HG PRO 21 25.472 -4.746 -5.274
141 2HG PRO 21 2HG PRO 21 24.236 -5.758 -6.046
142 1HD PRO 21 1HD PRO 21 23.905 -3.240 -4.462
143 2HD PRO 21 2HD PRO 21 23.052 -3.771 -5.927
144 H GLY 22 H GLY 22 20.844 -5.846 -2.128
145 1HA GLY 22 1HA GLY 22 22.290 -5.447 0.404
146 2HA GLY 22 2HA GLY 22 21.043 -6.682 0.287
147 H ALA 23 H ALA 23 20.047 -4.279 -1.694
148 HA ALA 23 HA ALA 23 18.162 -3.326 0.289
149 1HB ALA 23 3HB ALA 23 19.255 -1.426 0.713
150 2HB ALA 23 1HB ALA 23 20.448 -1.767 -0.541
151 3HB ALA 23 2HB ALA 23 18.940 -0.953 -0.956
152 HA PRO 24 HA PRO 24 15.944 -3.558 -3.558
153 1HB PRO 24 1HB PRO 24 14.138 -5.284 -2.617
154 2HB PRO 24 2HB PRO 24 15.790 -5.797 -2.961
155 1HG PRO 24 1HG PRO 24 14.455 -5.440 -0.365
156 2HG PRO 24 2HG PRO 24 15.899 -6.381 -0.765
157 1HD PRO 24 1HD PRO 24 15.699 -3.691 0.315
158 2HD PRO 24 2HD PRO 24 17.130 -4.730 0.140
159 H ILE 25 H ILE 25 15.470 -1.247 -3.037
160 HA ILE 25 HA ILE 25 13.637 -0.187 -1.432
161 HB ILE 25 HB ILE 25 14.153 0.426 -4.332
162 1HG1 ILE 25 1HG1 ILE 25 16.092 0.647 -2.981
163 2HG1 ILE 25 2HG1 ILE 25 15.437 2.280 -3.131
164 1HG2 ILE 25 1HG2 ILE 25 12.497 1.789 -2.228
165 2HG2 ILE 25 2HG2 ILE 25 13.298 2.740 -3.473
166 3HG2 ILE 25 3HG2 ILE 25 12.107 1.523 -3.926
167 1HD1 ILE 25 1HD1 ILE 25 14.172 1.754 -0.976
168 2HD1 ILE 25 2HD1 ILE 25 15.305 0.416 -0.806
169 3HD1 ILE 25 3HD1 ILE 25 15.904 2.072 -0.869
170 H LEU 26 H LEU 26 11.480 0.870 -2.439
171 HA LEU 26 HA LEU 26 9.771 -1.204 -3.559
172 1HB LEU 26 1HB LEU 26 8.642 0.036 -1.226
173 2HB LEU 26 2HB LEU 26 8.792 -1.672 -1.627
174 HG LEU 26 HG LEU 26 11.168 -0.152 -0.780
175 1HD1 LEU 26 1HD1 LEU 26 9.043 0.026 0.820
176 2HD1 LEU 26 2HD1 LEU 26 9.664 -1.533 1.358
177 3HD1 LEU 26 3HD1 LEU 26 10.689 -0.102 1.434
178 1HD2 LEU 26 1HD2 LEU 26 10.794 -2.727 -1.545
179 2HD2 LEU 26 2HD2 LEU 26 12.128 -2.163 -0.538
180 3HD2 LEU 26 3HD2 LEU 26 10.695 -2.869 0.209
181 H GLN 27 H GLN 27 7.443 -0.244 -2.854
182 HA GLN 27 HA GLN 27 6.788 2.395 -3.047
183 1HB GLN 27 1HB GLN 27 8.065 2.597 -5.082
184 2HB GLN 27 2HB GLN 27 7.231 1.226 -5.798
185 1HG GLN 27 1HG GLN 27 6.498 3.451 -6.637
186 2HG GLN 27 2HG GLN 27 5.200 2.458 -5.979
187 2HE2 GLN 27 2HE2 GLN 27 7.403 5.096 -5.223
188 1HE2 GLN 27 1HE2 GLN 27 6.365 5.883 -4.087
189 H CYS 28 H CYS 28 5.500 0.629 -1.765
190 HA CYS 28 HA CYS 28 3.674 -1.100 -2.505
191 1HB CYS 28 1HB CYS 28 3.870 0.093 -0.249
192 2HB CYS 28 2HB CYS 28 2.695 1.233 -0.893
193 H MET 29 H MET 29 2.811 -1.149 -4.503
194 HA MET 29 HA MET 29 1.706 1.044 -5.876
195 1HB MET 29 1HB MET 29 2.388 -1.208 -6.835
196 2HB MET 29 2HB MET 29 0.868 -1.835 -6.216
197 1HG MET 29 1HG MET 29 0.589 -1.323 -8.522
198 2HG MET 29 2HG MET 29 -0.325 -0.148 -7.580
199 1HE MET 29 1HE MET 29 0.257 -0.133 -10.417
200 2HE MET 29 2HE MET 29 0.056 1.618 -10.368
201 3HE MET 29 3HE MET 29 1.523 0.918 -11.051
202 H GLY 30 H GLY 30 -0.640 1.249 -6.478
203 1HA GLY 30 1HA GLY 30 -2.362 2.114 -4.804
204 2HA GLY 30 2HA GLY 30 -2.384 0.453 -4.241
205 H CYS 31 H CYS 31 -3.633 -1.019 -5.247
206 HA CYS 31 HA CYS 31 -5.577 -0.031 -7.121
207 1HB CYS 31 1HB CYS 31 -4.153 -2.469 -8.095
208 2HB CYS 31 2HB CYS 31 -5.047 -1.256 -9.006
209 H CYS 32 H CYS 32 -6.120 -0.799 -4.661
210 HA CYS 32 HA CYS 32 -6.500 -3.369 -3.902
211 1HB CYS 32 1HB CYS 32 -7.866 -0.848 -3.372
212 2HB CYS 32 2HB CYS 32 -8.948 -2.231 -3.241
213 H PHE 33 H PHE 33 -9.242 -1.659 -5.368
214 HA PHE 33 HA PHE 33 -10.275 -2.389 -7.423
215 1HB PHE 33 1HB PHE 33 -9.546 -5.125 -6.369
216 2HB PHE 33 2HB PHE 33 -10.658 -4.869 -7.706
217 HD1 PHE 33 HD1 PHE 33 -9.221 -2.541 -8.983
218 HD2 PHE 33 HD2 PHE 33 -7.829 -6.279 -7.501
219 HE1 PHE 33 HE1 PHE 33 -7.337 -2.460 -10.562
220 HE2 PHE 33 HE2 PHE 33 -5.939 -6.203 -9.076
221 HZ PHE 33 HZ PHE 33 -5.692 -4.291 -10.609
222 H SER 34 H SER 34 -10.806 -2.311 -4.275
223 HA SER 34 HA SER 34 -12.637 -2.343 -2.926
224 1HB SER 34 1HB SER 34 -14.880 -2.288 -4.430
225 2HB SER 34 2HB SER 34 -13.878 -0.866 -4.141
226 HG SER 34 HG SER 34 -14.458 -1.979 -6.454
227 H ARG 35 H ARG 35 -13.489 -3.959 -1.792
228 HA ARG 35 HA ARG 35 -14.384 -6.371 -3.223
229 1HB ARG 35 1HB ARG 35 -13.249 -7.797 -1.783
230 2HB ARG 35 2HB ARG 35 -12.095 -6.488 -1.998
231 1HG ARG 35 1HG ARG 35 -12.486 -5.630 0.133
232 2HG ARG 35 2HG ARG 35 -14.011 -6.499 0.303
233 1HD ARG 35 1HD ARG 35 -12.636 -8.630 0.206
234 2HD ARG 35 2HD ARG 35 -11.217 -7.603 0.408
235 HE ARG 35 HE ARG 35 -13.118 -8.341 2.422
236 1HH1 ARG 35 1HH1 ARG 35 -10.821 -5.919 1.435
237 2HH1 ARG 35 2HH1 ARG 35 -10.549 -5.336 3.042
238 1HH2 ARG 35 1HH2 ARG 35 -12.768 -7.581 4.544
239 2HH2 ARG 35 2HH2 ARG 35 -11.656 -6.281 4.811
240 H ALA 36 H ALA 36 -15.630 -3.921 -1.816
241 HA ALA 36 HA ALA 36 -17.696 -5.464 -0.451
242 1HB ALA 36 2HB ALA 36 -16.438 -3.055 0.849
243 2HB ALA 36 3HB ALA 36 -17.708 -4.085 1.511
244 3HB ALA 36 1HB ALA 36 -16.080 -4.725 1.286
245 H TYR 37 H TYR 37 -19.708 -4.667 -0.697
246 HA TYR 37 HA TYR 37 -20.441 -2.022 -1.161
247 1HB TYR 37 1HB TYR 37 -19.332 -3.266 -3.478
248 2HB TYR 37 2HB TYR 37 -21.059 -3.055 -3.747
249 HD1 TYR 37 HD1 TYR 37 -22.000 -0.675 -3.168
250 HD2 TYR 37 HD2 TYR 37 -17.899 -1.502 -3.939
251 HE1 TYR 37 HE1 TYR 37 -21.633 1.693 -3.720
252 HE2 TYR 37 HE2 TYR 37 -17.520 0.864 -4.493
253 HH TYR 37 HH TYR 37 -18.814 2.809 -5.250
254 HA PRO 38 HA PRO 38 -24.127 -4.938 -2.031
255 1HB PRO 38 1HB PRO 38 -23.297 -7.623 -2.506
256 2HB PRO 38 2HB PRO 38 -23.955 -6.480 -3.676
257 1HG PRO 38 1HG PRO 38 -21.358 -7.466 -3.679
258 2HG PRO 38 2HG PRO 38 -21.902 -6.005 -4.522
259 1HD PRO 38 1HD PRO 38 -20.472 -6.271 -1.913
260 2HD PRO 38 2HD PRO 38 -20.309 -5.027 -3.172
261 H THR 39 H THR 39 -25.416 -6.277 -0.680
262 HA THR 39 HA THR 39 -24.016 -7.567 1.554
263 HB THR 39 HB THR 39 -24.631 -5.829 2.844
264 HG1 THR 39 HG1 THR 39 -26.166 -7.401 3.482
265 1HG2 THR 39 1HG2 THR 39 -25.215 -4.458 0.869
266 2HG2 THR 39 2HG2 THR 39 -26.862 -5.080 0.977
267 3HG2 THR 39 3HG2 THR 39 -26.197 -4.115 2.295
268 HA PRO 40 HA PRO 40 -27.820 -9.856 -0.236
269 1HB PRO 40 1HB PRO 40 -26.631 -11.536 -1.989
270 2HB PRO 40 2HB PRO 40 -27.199 -9.928 -2.455
271 1HG PRO 40 1HG PRO 40 -24.427 -10.834 -1.774
272 2HG PRO 40 2HG PRO 40 -24.967 -9.772 -3.088
273 1HD PRO 40 1HD PRO 40 -23.887 -8.835 -0.777
274 2HD PRO 40 2HD PRO 40 -25.091 -7.931 -1.717
275 H LEU 41 H LEU 41 -26.522 -10.203 2.160
276 HA LEU 41 HA LEU 41 -26.728 -13.033 2.529
277 1HB LEU 41 1HB LEU 41 -24.312 -12.907 3.667
278 2HB LEU 41 2HB LEU 41 -24.560 -13.418 2.008
279 HG LEU 41 HG LEU 41 -23.930 -11.248 1.174
280 1HD1 LEU 41 1HD1 LEU 41 -24.567 -10.418 3.848
281 2HD1 LEU 41 2HD1 LEU 41 -22.950 -9.874 3.404
282 3HD1 LEU 41 3HD1 LEU 41 -24.333 -9.443 2.398
283 1HD2 LEU 41 1HD2 LEU 41 -22.152 -12.893 1.788
284 2HD2 LEU 41 2HD2 LEU 41 -21.622 -11.211 1.780
285 3HD2 LEU 41 3HD2 LEU 41 -21.953 -12.023 3.310
286 H ARG 42 H ARG 42 -28.263 -11.141 3.636
287 HA ARG 42 HA ARG 42 -29.121 -10.453 5.626
288 1HB ARG 42 1HB ARG 42 -28.379 -12.805 6.277
289 2HB ARG 42 2HB ARG 42 -26.958 -12.055 6.989
290 1HG ARG 42 1HG ARG 42 -28.221 -12.034 8.845
291 2HG ARG 42 2HG ARG 42 -28.907 -10.577 8.125
292 1HD ARG 42 1HD ARG 42 -30.441 -12.424 6.935
293 2HD ARG 42 2HD ARG 42 -30.073 -13.275 8.434
294 HE ARG 42 HE ARG 42 -31.500 -10.717 8.203
295 1HH1 ARG 42 1HH1 ARG 42 -30.476 -13.448 10.117
296 2HH1 ARG 42 2HH1 ARG 42 -31.545 -13.089 11.429
297 1HH2 ARG 42 1HH2 ARG 42 -32.905 -10.240 9.928
298 2HH2 ARG 42 2HH2 ARG 42 -32.926 -11.268 11.322
299 H SER 43 H SER 43 -26.741 -10.489 7.867
300 HA SER 43 HA SER 43 -25.425 -8.904 8.826
301 1HB SER 43 1HB SER 43 -24.885 -7.417 6.335
302 2HB SER 43 2HB SER 43 -23.761 -8.110 7.502
303 HG SER 43 HG SER 43 -24.561 -10.206 6.521
304 H LYS 44 H LYS 44 -25.045 -6.170 7.808
305 HA LYS 44 HA LYS 44 -27.604 -4.927 7.601
306 1HB LYS 44 1HB LYS 44 -27.575 -5.554 10.012
307 2HB LYS 44 2HB LYS 44 -26.131 -4.574 10.217
308 1HG LYS 44 1HG LYS 44 -27.589 -2.664 9.249
309 2HG LYS 44 2HG LYS 44 -28.939 -3.710 9.694
310 1HD LYS 44 1HD LYS 44 -26.760 -2.969 11.630
311 2HD LYS 44 2HD LYS 44 -28.213 -1.991 11.418
312 1HE LYS 44 1HE LYS 44 -29.594 -3.932 11.995
313 2HE LYS 44 2HE LYS 44 -28.136 -4.898 12.221
314 1HZ LYS 44 1HZ LYS 44 -28.229 -2.431 13.736
315 2HZ LYS 44 2HZ LYS 44 -29.380 -3.587 14.185
316 3HZ LYS 44 3HZ LYS 44 -27.734 -3.977 14.211
317 H LYS 45 H LYS 45 -27.462 -2.629 7.341
318 HA LYS 45 HA LYS 45 -24.935 -1.293 7.437
319 1HB LYS 45 1HB LYS 45 -24.311 -1.230 5.242
320 2HB LYS 45 2HB LYS 45 -25.098 -2.802 5.247
321 1HG LYS 45 1HG LYS 45 -26.228 -2.018 3.490
322 2HG LYS 45 2HG LYS 45 -27.190 -1.151 4.689
323 1HD LYS 45 1HD LYS 45 -26.398 0.835 4.035
324 2HD LYS 45 2HD LYS 45 -24.736 0.246 3.975
325 1HE LYS 45 1HE LYS 45 -25.061 0.688 1.761
326 2HE LYS 45 2HE LYS 45 -25.625 -0.981 1.812
327 1HZ LYS 45 1HZ LYS 45 -27.585 1.128 2.315
328 2HZ LYS 45 2HZ LYS 45 -27.046 0.929 0.723
329 3HZ LYS 45 3HZ LYS 45 -27.778 -0.361 1.535
330 H THR 46 H THR 46 -25.088 0.951 6.946
331 HA THR 46 HA THR 46 -27.578 2.117 6.141
332 HB THR 46 HB THR 46 -27.962 1.485 8.558
333 HG1 THR 46 HG1 THR 46 -28.695 3.683 9.080
334 1HG2 THR 46 1HG2 THR 46 -25.494 2.439 9.072
335 2HG2 THR 46 2HG2 THR 46 -26.483 3.839 9.486
336 3HG2 THR 46 3HG2 THR 46 -26.776 2.290 10.275
337 H MET 47 H MET 47 -26.897 4.557 7.803
338 HA MET 47 HA MET 47 -24.953 5.635 5.927
339 1HB MET 47 1HB MET 47 -26.977 6.773 7.783
340 2HB MET 47 2HB MET 47 -25.573 7.766 7.416
341 1HG MET 47 1HG MET 47 -26.061 7.636 5.049
342 2HG MET 47 2HG MET 47 -27.423 6.564 5.368
343 1HE MET 47 1HE MET 47 -26.416 9.480 4.225
344 2HE MET 47 2HE MET 47 -28.092 9.827 3.799
345 3HE MET 47 3HE MET 47 -27.238 10.865 4.942
346 H LEU 48 H LEU 48 -24.143 3.767 8.073
347 HA LEU 48 HA LEU 48 -22.667 3.591 9.836
348 1HB LEU 48 1HB LEU 48 -21.186 5.531 8.055
349 2HB LEU 48 2HB LEU 48 -20.463 4.497 9.272
350 HG LEU 48 HG LEU 48 -20.016 3.241 7.430
351 1HD1 LEU 48 1HD1 LEU 48 -22.801 2.457 8.240
352 2HD1 LEU 48 2HD1 LEU 48 -21.847 1.528 7.082
353 3HD1 LEU 48 3HD1 LEU 48 -21.270 1.737 8.735
354 1HD2 LEU 48 1HD2 LEU 48 -22.433 4.557 6.266
355 2HD2 LEU 48 2HD2 LEU 48 -20.771 4.539 5.675
356 3HD2 LEU 48 3HD2 LEU 48 -21.778 3.098 5.525
357 H VAL 49 H VAL 49 -24.301 4.885 11.142
358 HA VAL 49 HA VAL 49 -23.262 7.527 11.887
359 HB VAL 49 HB VAL 49 -25.710 6.694 13.233
360 1HG1 VAL 49 1HG1 VAL 49 -24.787 9.048 11.616
361 2HG1 VAL 49 2HG1 VAL 49 -26.447 8.906 12.196
362 3HG1 VAL 49 3HG1 VAL 49 -25.113 8.956 13.347
363 1HG2 VAL 49 1HG2 VAL 49 -25.511 6.437 10.286
364 2HG2 VAL 49 2HG2 VAL 49 -26.539 5.576 11.432
365 3HG2 VAL 49 3HG2 VAL 49 -26.952 7.219 10.938
366 H GLN 50 H GLN 50 -23.475 8.059 14.266
367 HA GLN 50 HA GLN 50 -22.589 7.747 16.345
368 1HB GLN 50 1HB GLN 50 -24.221 5.234 15.990
369 2HB GLN 50 2HB GLN 50 -23.472 5.683 17.516
370 1HG GLN 50 1HG GLN 50 -25.003 7.872 16.431
371 2HG GLN 50 2HG GLN 50 -25.987 6.417 16.594
372 2HE2 GLN 50 2HE2 GLN 50 -27.167 6.767 18.354
373 1HE2 GLN 50 1HE2 GLN 50 -26.542 7.179 19.911
374 H LYS 51 H LYS 51 -21.113 6.561 13.938
375 HA LYS 51 HA LYS 51 -18.764 5.841 14.976
376 1HB LYS 51 1HB LYS 51 -19.222 4.057 16.291
377 2HB LYS 51 2HB LYS 51 -20.712 3.680 15.437
378 1HG LYS 51 1HG LYS 51 -19.645 2.344 13.888
379 2HG LYS 51 2HG LYS 51 -18.079 3.116 14.146
380 1HD LYS 51 1HD LYS 51 -17.544 1.715 15.812
381 2HD LYS 51 2HD LYS 51 -19.146 1.835 16.541
382 1HE LYS 51 1HE LYS 51 -18.780 0.278 14.019
383 2HE LYS 51 2HE LYS 51 -18.311 -0.439 15.560
384 1HZ LYS 51 1HZ LYS 51 -20.897 0.765 15.680
385 2HZ LYS 51 2HZ LYS 51 -20.819 -0.424 14.478
386 3HZ LYS 51 3HZ LYS 51 -20.425 -0.810 16.077
387 H ASN 52 H ASN 52 -17.558 6.052 13.220
388 HA ASN 52 HA ASN 52 -18.172 4.449 10.850
389 1HB ASN 52 1HB ASN 52 -19.197 6.540 10.287
390 2HB ASN 52 2HB ASN 52 -17.802 7.448 10.862
391 2HD2 ASN 52 2HD2 ASN 52 -16.407 8.093 9.391
392 1HD2 ASN 52 1HD2 ASN 52 -16.231 7.439 7.802
393 H VAL 53 H VAL 53 -16.401 3.246 10.595
394 HA VAL 53 HA VAL 53 -13.787 4.587 10.693
395 HB VAL 53 HB VAL 53 -13.334 1.945 11.529
396 1HG1 VAL 53 1HG1 VAL 53 -12.139 4.107 12.090
397 2HG1 VAL 53 2HG1 VAL 53 -13.389 4.374 13.305
398 3HG1 VAL 53 3HG1 VAL 53 -12.336 2.963 13.419
399 1HG2 VAL 53 1HG2 VAL 53 -15.796 1.976 12.103
400 2HG2 VAL 53 2HG2 VAL 53 -14.701 1.600 13.433
401 3HG2 VAL 53 3HG2 VAL 53 -15.410 3.209 13.305
402 H THR 54 H THR 54 -15.785 3.336 8.656
403 HA THR 54 HA THR 54 -13.798 2.510 6.806
404 HB THR 54 HB THR 54 -13.988 0.451 8.204
405 HG1 THR 54 HG1 THR 54 -14.843 -0.750 6.081
406 1HG2 THR 54 1HG2 THR 54 -16.431 0.646 8.674
407 2HG2 THR 54 2HG2 THR 54 -16.727 0.148 7.009
408 3HG2 THR 54 3HG2 THR 54 -15.904 -0.945 8.123
409 H SER 55 H SER 55 -14.492 3.249 4.930
410 HA SER 55 HA SER 55 -17.284 2.879 4.154
411 1HB SER 55 1HB SER 55 -15.957 5.580 3.871
412 2HB SER 55 2HB SER 55 -17.649 5.169 3.588
413 HG SER 55 HG SER 55 -17.924 4.880 5.783
414 H GLU 56 H GLU 56 -17.299 4.270 1.800
415 HA GLU 56 HA GLU 56 -15.766 2.561 0.112
416 1HB GLU 56 1HB GLU 56 -16.731 3.903 -1.737
417 2HB GLU 56 2HB GLU 56 -17.944 3.306 -0.614
418 1HG GLU 56 1HG GLU 56 -18.449 5.380 0.170
419 2HG GLU 56 2HG GLU 56 -16.837 6.019 -0.154
420 H SER 57 H SER 57 -13.705 2.791 -0.383
421 HA SER 57 HA SER 57 -12.437 4.814 -1.617
422 1HB SER 57 1HB SER 57 -12.874 5.512 1.198
423 2HB SER 57 2HB SER 57 -11.188 5.645 0.696
424 HG SER 57 HG SER 57 -12.838 6.684 -1.173
425 H THR 58 H THR 58 -10.131 4.560 -1.736
426 HA THR 58 HA THR 58 -8.925 2.449 -0.148
427 HB THR 58 HB THR 58 -8.165 1.209 -2.169
428 HG1 THR 58 HG1 THR 58 -8.744 1.818 -4.105
429 1HG2 THR 58 1HG2 THR 58 -10.211 0.520 -0.893
430 2HG2 THR 58 2HG2 THR 58 -11.161 1.346 -2.128
431 3HG2 THR 58 3HG2 THR 58 -10.135 -0.018 -2.571
432 H CYS 59 H CYS 59 -6.608 2.029 -1.152
433 HA CYS 59 HA CYS 59 -4.915 3.356 -2.517
434 1HB CYS 59 1HB CYS 59 -6.023 5.375 -0.614
435 2HB CYS 59 2HB CYS 59 -4.320 5.475 -1.044
436 H CYS 60 H CYS 60 -3.063 2.407 -2.030
437 HA CYS 60 HA CYS 60 -2.540 1.750 0.782
438 1HB CYS 60 1HB CYS 60 -1.671 0.461 -1.795
439 2HB CYS 60 2HB CYS 60 -0.892 0.088 -0.259
440 H VAL 61 H VAL 61 -1.858 4.109 0.850
441 HA VAL 61 HA VAL 61 0.704 4.726 -0.331
442 HB VAL 61 HB VAL 61 -0.061 6.507 1.827
443 1HG1 VAL 61 1HG1 VAL 61 0.999 6.588 -0.834
444 2HG1 VAL 61 2HG1 VAL 61 -0.310 7.760 -0.678
445 3HG1 VAL 61 3HG1 VAL 61 1.061 7.818 0.430
446 1HG2 VAL 61 1HG2 VAL 61 -2.145 5.788 -0.208
447 2HG2 VAL 61 2HG2 VAL 61 -2.318 5.985 1.534
448 3HG2 VAL 61 3HG2 VAL 61 -2.082 7.399 0.507
449 H ALA 62 H ALA 62 1.642 2.755 0.685
450 HA ALA 62 HA ALA 62 2.526 1.595 2.526
451 1HB ALA 62 2HB ALA 62 4.151 3.327 1.192
452 2HB ALA 62 3HB ALA 62 4.687 2.102 2.342
453 3HB ALA 62 1HB ALA 62 4.443 3.764 2.877
454 H LYS 63 H LYS 63 1.712 1.330 4.490
455 HA LYS 63 HA LYS 63 0.674 3.259 6.186
456 1HB LYS 63 1HB LYS 63 0.587 0.662 6.313
457 2HB LYS 63 2HB LYS 63 2.084 0.814 7.220
458 1HG LYS 63 1HG LYS 63 0.959 2.216 8.866
459 2HG LYS 63 2HG LYS 63 -0.548 2.069 7.960
460 1HD LYS 63 1HD LYS 63 0.597 -0.527 8.488
461 2HD LYS 63 2HD LYS 63 0.382 0.381 9.987
462 1HE LYS 63 1HE LYS 63 -1.902 0.478 9.759
463 2HE LYS 63 2HE LYS 63 -1.839 0.348 8.002
464 1HZ LYS 63 1HZ LYS 63 -0.840 -1.986 9.343
465 2HZ LYS 63 2HZ LYS 63 -2.457 -1.661 9.715
466 3HZ LYS 63 3HZ LYS 63 -1.985 -1.858 8.103
467 H SER 64 H SER 64 3.883 2.016 5.754
468 HA SER 64 HA SER 64 4.976 4.249 7.297
469 1HB SER 64 1HB SER 64 6.175 1.484 7.463
470 2HB SER 64 2HB SER 64 6.514 2.884 8.482
471 HG SER 64 HG SER 64 5.164 1.716 9.698
472 H TYR 65 H TYR 65 7.547 4.167 6.838
473 HA TYR 65 HA TYR 65 8.139 3.212 4.176
474 1HB TYR 65 1HB TYR 65 8.855 5.630 3.532
475 2HB TYR 65 2HB TYR 65 7.177 5.136 3.345
476 HD1 TYR 65 HD1 TYR 65 9.465 6.825 5.743
477 HD2 TYR 65 HD2 TYR 65 5.485 6.437 4.296
478 HE1 TYR 65 HE1 TYR 65 8.777 8.719 7.150
479 HE2 TYR 65 HE2 TYR 65 4.784 8.331 5.697
480 HH TYR 65 HH TYR 65 5.747 9.389 7.981
481 H ASN 66 H ASN 66 10.304 3.527 3.501
482 HA ASN 66 HA ASN 66 12.115 4.430 5.659
483 1HB ASN 66 1HB ASN 66 11.927 1.758 4.740
484 2HB ASN 66 2HB ASN 66 13.423 2.411 4.085
485 2HD2 ASN 66 2HD2 ASN 66 14.959 3.311 5.575
486 1HD2 ASN 66 1HD2 ASN 66 15.036 2.716 7.195
487 H ARG 67 H ARG 67 10.919 5.514 3.381
488 HA ARG 67 HA ARG 67 11.641 6.123 1.101
489 1HB ARG 67 1HB ARG 67 12.349 8.553 1.784
490 2HB ARG 67 2HB ARG 67 10.719 7.972 2.115
491 1HG ARG 67 1HG ARG 67 11.234 7.543 4.369
492 2HG ARG 67 2HG ARG 67 12.955 7.818 4.096
493 1HD ARG 67 1HD ARG 67 12.742 10.070 4.172
494 2HD ARG 67 2HD ARG 67 11.169 10.051 3.375
495 HE ARG 67 HE ARG 67 10.169 10.032 5.434
496 1HH1 ARG 67 1HH1 ARG 67 13.526 9.186 5.783
497 2HH1 ARG 67 2HH1 ARG 67 13.490 9.217 7.514
498 1HH2 ARG 67 1HH2 ARG 67 10.107 10.080 7.714
499 2HH2 ARG 67 2HH2 ARG 67 11.545 9.724 8.612
500 H VAL 68 H VAL 68 13.204 5.814 -0.192
501 HA VAL 68 HA VAL 68 15.976 6.276 0.668
502 HB VAL 68 HB VAL 68 16.757 4.382 -0.487
503 1HG1 VAL 68 1HG1 VAL 68 14.976 4.028 1.530
504 2HG1 VAL 68 2HG1 VAL 68 14.272 3.015 0.270
505 3HG1 VAL 68 3HG1 VAL 68 15.929 2.735 0.803
506 1HG2 VAL 68 1HG2 VAL 68 14.681 4.930 -2.289
507 2HG2 VAL 68 2HG2 VAL 68 15.930 3.698 -2.437
508 3HG2 VAL 68 3HG2 VAL 68 14.380 3.303 -1.701
509 H THR 69 H THR 69 14.529 8.286 -0.456
510 HA THR 69 HA THR 69 14.115 8.866 -2.929
511 HB THR 69 HB THR 69 16.233 10.409 -1.433
512 HG1 THR 69 HG1 THR 69 14.627 11.364 -0.444
513 1HG2 THR 69 1HG2 THR 69 16.164 10.911 -3.850
514 2HG2 THR 69 2HG2 THR 69 14.454 11.311 -3.688
515 3HG2 THR 69 3HG2 THR 69 15.670 12.272 -2.844
516 H VAL 70 H VAL 70 14.813 8.268 -4.809
517 HA VAL 70 HA VAL 70 17.694 7.787 -5.155
518 HB VAL 70 HB VAL 70 16.223 6.351 -7.105
519 1HG1 VAL 70 1HG1 VAL 70 18.522 6.049 -5.721
520 2HG1 VAL 70 2HG1 VAL 70 17.498 4.873 -4.895
521 3HG1 VAL 70 3HG1 VAL 70 17.751 4.753 -6.636
522 1HG2 VAL 70 1HG2 VAL 70 15.156 6.154 -4.327
523 2HG2 VAL 70 2HG2 VAL 70 14.308 6.060 -5.870
524 3HG2 VAL 70 3HG2 VAL 70 15.264 4.694 -5.302
525 H MET 71 H MET 71 17.664 7.235 -7.798
526 HA MET 71 HA MET 71 18.277 9.390 -9.114
527 1HB MET 71 1HB MET 71 16.706 8.231 -11.063
528 2HB MET 71 2HB MET 71 18.379 7.830 -10.702
529 1HG MET 71 1HG MET 71 16.273 6.521 -9.090
530 2HG MET 71 2HG MET 71 16.463 6.008 -10.767
531 1HE MET 71 1HE MET 71 18.199 5.122 -11.800
532 2HE MET 71 2HE MET 71 19.817 4.761 -11.201
533 3HE MET 71 3HE MET 71 18.511 3.601 -10.963
534 H GLY 72 H GLY 72 17.435 11.202 -10.047
535 1HA GLY 72 1HA GLY 72 14.761 11.640 -10.708
536 2HA GLY 72 2HA GLY 72 15.935 12.907 -10.378
537 H GLY 73 H GLY 73 16.140 11.346 -7.633
538 1HA GLY 73 1HA GLY 73 14.417 13.162 -6.234
539 2HA GLY 73 2HA GLY 73 15.422 11.913 -5.513
540 H PHE 74 H PHE 74 14.361 9.700 -6.933
541 HA PHE 74 HA PHE 74 11.528 9.616 -6.640
542 1HB PHE 74 1HB PHE 74 13.616 7.512 -7.150
543 2HB PHE 74 2HB PHE 74 11.918 7.100 -6.940
544 HD1 PHE 74 HD1 PHE 74 10.615 9.339 -8.344
545 HD2 PHE 74 HD2 PHE 74 14.043 7.042 -9.383
546 HE1 PHE 74 HE1 PHE 74 10.205 9.809 -10.725
547 HE2 PHE 74 HE2 PHE 74 13.640 7.508 -11.765
548 HZ PHE 74 HZ PHE 74 11.718 8.891 -12.439
549 H LYS 75 H LYS 75 10.506 9.572 -4.783
550 HA LYS 75 HA LYS 75 11.824 8.485 -2.419
551 1HB LYS 75 1HB LYS 75 9.252 10.050 -2.679
552 2HB LYS 75 2HB LYS 75 10.018 9.583 -1.166
553 1HG LYS 75 1HG LYS 75 12.054 10.889 -2.371
554 2HG LYS 75 2HG LYS 75 10.666 11.763 -3.021
555 1HD LYS 75 1HD LYS 75 10.605 11.209 -0.122
556 2HD LYS 75 2HD LYS 75 11.837 12.350 -0.665
557 1HE LYS 75 1HE LYS 75 9.110 12.713 -1.752
558 2HE LYS 75 2HE LYS 75 9.339 13.083 -0.044
559 1HZ LYS 75 1HZ LYS 75 11.416 14.353 -1.047
560 2HZ LYS 75 2HZ LYS 75 10.402 14.436 -2.397
561 3HZ LYS 75 3HZ LYS 75 9.894 15.078 -0.916
562 H VAL 76 H VAL 76 11.622 6.281 -2.558
563 HA VAL 76 HA VAL 76 9.072 5.043 -3.094
564 HB VAL 76 HB VAL 76 10.290 2.856 -2.571
565 1HG1 VAL 76 1HG1 VAL 76 10.425 4.352 -4.838
566 2HG1 VAL 76 2HG1 VAL 76 12.136 4.314 -4.411
567 3HG1 VAL 76 3HG1 VAL 76 11.252 2.809 -4.645
568 1HG2 VAL 76 1HG2 VAL 76 11.995 4.769 -1.304
569 2HG2 VAL 76 2HG2 VAL 76 12.142 3.014 -1.323
570 3HG2 VAL 76 3HG2 VAL 76 12.936 3.981 -2.565
571 H GLU 77 H GLU 77 9.991 6.723 -0.736
572 HA GLU 77 HA GLU 77 9.998 6.552 1.612
573 1HB GLU 77 1HB GLU 77 7.443 6.659 0.398
574 2HB GLU 77 2HB GLU 77 7.311 5.518 1.726
575 1HG GLU 77 1HG GLU 77 6.791 7.462 2.792
576 2HG GLU 77 2HG GLU 77 8.533 7.409 3.063
577 H ASN 78 H ASN 78 11.173 4.416 0.440
578 HA ASN 78 HA ASN 78 11.100 2.026 0.318
579 1HB ASN 78 1HB ASN 78 13.049 2.687 1.597
580 2HB ASN 78 2HB ASN 78 12.063 2.926 3.029
581 H HIS 79 H HIS 79 8.667 2.235 0.389
582 HA HIS 79 HA HIS 79 7.097 2.185 2.503
583 1HB HIS 79 1HB HIS 79 6.794 0.406 0.088
584 2HB HIS 79 2HB HIS 79 5.507 0.704 1.266
585 HD1 HIS 79 HD1 HIS 79 4.404 1.831 -1.079
586 HD2 HIS 79 HD2 HIS 79 7.472 3.803 0.882
587 HE1 HIS 79 HE1 HIS 79 4.344 4.205 -1.922
588 H THR 80 H THR 80 7.590 1.454 4.324
589 HA THR 80 HA THR 80 8.498 -1.305 4.643
590 HB THR 80 HB THR 80 9.304 -0.654 6.771
591 HG1 THR 80 HG1 THR 80 7.801 0.490 7.777
592 1HG2 THR 80 1HG2 THR 80 10.492 0.370 4.802
593 2HG2 THR 80 2HG2 THR 80 9.612 1.857 5.141
594 3HG2 THR 80 3HG2 THR 80 10.725 1.198 6.340
595 H ALA 81 H ALA 81 5.608 0.179 4.480
596 HA ALA 81 HA ALA 81 4.187 -1.985 5.629
597 1HB ALA 81 1HB ALA 81 4.726 -0.790 7.706
598 2HB ALA 81 3HB ALA 81 3.977 0.669 7.058
599 3HB ALA 81 2HB ALA 81 2.996 -0.762 7.372
600 H CYS 82 H CYS 82 2.005 -1.958 4.921
601 HA CYS 82 HA CYS 82 1.367 0.283 3.111
602 1HB CYS 82 1HB CYS 82 0.810 -2.667 2.773
603 2HB CYS 82 2HB CYS 82 0.085 -1.420 1.765
604 H HIS 83 H HIS 83 -1.053 0.353 2.587
605 HA HIS 83 HA HIS 83 -2.965 -0.690 4.361
606 1HB HIS 83 1HB HIS 83 -3.537 1.344 5.632
607 2HB HIS 83 2HB HIS 83 -1.927 0.749 6.024
608 HD1 HIS 83 HD1 HIS 83 -2.938 3.735 6.398
609 HD2 HIS 83 HD2 HIS 83 -0.585 2.312 3.284
610 HE1 HIS 83 HE1 HIS 83 -1.719 5.745 5.505
611 HE2 HIS 83 HE2 HIS 83 -0.211 4.838 3.700
612 H CYS 84 H CYS 84 -4.494 -0.894 2.887
613 HA CYS 84 HA CYS 84 -4.919 1.072 0.806
614 1HB CYS 84 1HB CYS 84 -5.169 -1.547 0.709
615 2HB CYS 84 2HB CYS 84 -6.784 -1.217 1.323
616 H SER 85 H SER 85 -6.061 2.868 1.199
617 HA SER 85 HA SER 85 -8.679 3.075 1.772
618 1HB SER 85 1HB SER 85 -8.982 2.364 3.879
619 2HB SER 85 2HB SER 85 -7.246 2.310 4.182
620 HG SER 85 HG SER 85 -7.400 4.136 5.198
621 H THR 86 H THR 86 -9.231 5.227 3.065
622 HA THR 86 HA THR 86 -9.223 7.492 2.699
623 HB THR 86 HB THR 86 -6.394 7.639 3.556
624 HG1 THR 86 HG1 THR 86 -8.333 6.623 5.339
625 1HG2 THR 86 1HG2 THR 86 -8.958 8.782 4.630
626 2HG2 THR 86 2HG2 THR 86 -7.360 9.065 5.322
627 3HG2 THR 86 3HG2 THR 86 -7.726 9.625 3.690
628 H CYS 87 H CYS 87 -6.640 8.987 2.301
629 HA CYS 87 HA CYS 87 -5.286 9.731 0.617
630 1HB CYS 87 1HB CYS 87 -4.379 8.006 -0.479
631 2HB CYS 87 2HB CYS 87 -5.779 7.002 -0.136
632 H TYR 88 H TYR 88 -5.645 11.328 -0.827
633 HA TYR 88 HA TYR 88 -6.864 12.887 -1.961
634 1HB TYR 88 1HB TYR 88 -6.660 10.729 -3.516
635 2HB TYR 88 2HB TYR 88 -8.411 10.736 -3.332
636 HD1 TYR 88 HD1 TYR 88 -7.774 14.038 -3.038
637 HD2 TYR 88 HD2 TYR 88 -7.507 10.985 -5.989
638 HE1 TYR 88 HE1 TYR 88 -7.953 15.739 -4.804
639 HE2 TYR 88 HE2 TYR 88 -7.682 12.677 -7.764
640 HH TYR 88 HH TYR 88 -8.371 14.887 -8.145
641 H TYR 89 H TYR 89 -9.639 12.096 -3.051
642 HA TYR 89 HA TYR 89 -11.222 11.882 -0.647
643 1HB TYR 89 1HB TYR 89 -10.492 14.364 -1.021
644 2HB TYR 89 2HB TYR 89 -11.725 14.346 -2.277
645 HD1 TYR 89 HD1 TYR 89 -12.928 12.093 -0.003
646 HD2 TYR 89 HD2 TYR 89 -12.253 16.278 -0.377
647 HE1 TYR 89 HE1 TYR 89 -14.658 12.517 1.691
648 HE2 TYR 89 HE2 TYR 89 -13.981 16.713 1.319
649 HH TYR 89 HH TYR 89 -15.753 15.758 2.432
650 H HIS 90 H HIS 90 -11.985 13.412 -3.765
651 HA HIS 90 HA HIS 90 -13.491 12.878 -5.384
652 1HB HIS 90 1HB HIS 90 -12.061 11.001 -5.841
653 2HB HIS 90 2HB HIS 90 -12.728 10.094 -4.488
654 HD1 HIS 90 HD1 HIS 90 -15.112 11.876 -6.707
655 HD2 HIS 90 HD2 HIS 90 -13.509 8.065 -6.296
656 HE1 HIS 90 HE1 HIS 90 -16.544 10.388 -8.143
657 HE2 HIS 90 HE2 HIS 90 -15.556 8.083 -7.879
658 H LYS 91 H LYS 91 -15.409 13.696 -4.703
659 HA LYS 91 HA LYS 91 -17.032 12.102 -2.850
660 1HB LYS 91 1HB LYS 91 -17.730 14.038 -1.980
661 2HB LYS 91 2HB LYS 91 -16.516 14.832 -2.973
662 1HG LYS 91 1HG LYS 91 -18.120 15.271 -4.697
663 2HG LYS 91 2HG LYS 91 -19.340 14.298 -3.872
664 1HD LYS 91 1HD LYS 91 -19.266 15.880 -1.973
665 2HD LYS 91 2HD LYS 91 -18.118 16.872 -2.876
666 1HE LYS 91 1HE LYS 91 -20.674 17.433 -2.912
667 2HE LYS 91 2HE LYS 91 -19.705 17.585 -4.377
668 1HZ LYS 91 1HZ LYS 91 -20.463 15.338 -5.005
669 2HZ LYS 91 2HZ LYS 91 -21.479 15.315 -3.652
670 3HZ LYS 91 3HZ LYS 91 -21.736 16.446 -4.882
671 H SER 92 H SER 92 -19.043 11.340 -3.372
672 HA SER 92 HA SER 92 -20.722 12.040 -5.405
673 1HB SER 92 1HB SER 92 -19.903 9.858 -6.888
674 2HB SER 92 2HB SER 92 -19.590 11.546 -7.291
675 HG SER 92 HG SER 92 -17.894 9.845 -5.776
No H/Q in entry = 675
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 -6.391 -5.912 -20.119
2 H2 ALA 1 H2 ALA 1 -5.484 -5.184 -21.380
3 H3 ALA 1 H3 ALA 1 -5.443 -6.885 -21.163
4 HA ALA 1 HA ALA 1 -4.372 -6.652 -19.085
5 1HB ALA 1 2HB ALA 1 -3.256 -5.674 -21.597
6 2HB ALA 1 1HB ALA 1 -2.616 -6.853 -20.452
7 3HB ALA 1 3HB ALA 1 -2.378 -5.128 -20.170
8 HA PRO 2 HA PRO 2 -3.397 -1.920 -18.306
9 1HB PRO 2 1HB PRO 2 -4.916 -0.321 -20.040
10 2HB PRO 2 2HB PRO 2 -3.173 -0.592 -20.134
11 1HG PRO 2 1HG PRO 2 -5.387 -1.931 -21.626
12 2HG PRO 2 2HG PRO 2 -3.772 -1.462 -22.194
13 1HD PRO 2 1HD PRO 2 -4.316 -4.003 -21.637
14 2HD PRO 2 2HD PRO 2 -2.752 -3.302 -21.175
15 H ASP 3 H ASP 3 -6.534 -2.911 -19.584
16 HA ASP 3 HA ASP 3 -8.005 -1.318 -17.685
17 1HB ASP 3 1HB ASP 3 -9.972 -2.172 -18.721
18 2HB ASP 3 2HB ASP 3 -8.810 -1.907 -20.018
19 H VAL 4 H VAL 4 -7.166 -4.725 -18.111
20 HA VAL 4 HA VAL 4 -7.696 -5.174 -15.276
21 HB VAL 4 HB VAL 4 -9.759 -5.801 -16.643
22 1HG1 VAL 4 1HG1 VAL 4 -7.867 -7.954 -17.564
23 2HG1 VAL 4 2HG1 VAL 4 -9.622 -8.079 -17.681
24 3HG1 VAL 4 3HG1 VAL 4 -8.770 -6.808 -18.555
25 1HG2 VAL 4 1HG2 VAL 4 -8.377 -7.299 -14.558
26 2HG2 VAL 4 2HG2 VAL 4 -10.063 -6.792 -14.663
27 3HG2 VAL 4 3HG2 VAL 4 -9.534 -8.272 -15.465
28 H GLN 5 H GLN 5 -6.366 -6.687 -14.353
29 HA GLN 5 HA GLN 5 -4.787 -8.357 -14.202
30 1HB GLN 5 1HB GLN 5 -5.827 -8.869 -16.686
31 2HB GLN 5 2HB GLN 5 -4.143 -8.535 -17.065
32 1HG GLN 5 1HG GLN 5 -3.984 -10.218 -14.892
33 2HG GLN 5 2HG GLN 5 -5.351 -10.854 -15.805
34 2HE2 GLN 5 2HE2 GLN 5 -4.857 -10.843 -18.276
35 1HE2 GLN 5 1HE2 GLN 5 -3.345 -11.556 -18.711
36 H ASP 6 H ASP 6 -4.017 -5.959 -13.617
37 HA ASP 6 HA ASP 6 -1.279 -5.862 -14.413
38 1HB ASP 6 1HB ASP 6 -1.431 -3.463 -15.264
39 2HB ASP 6 2HB ASP 6 -2.014 -4.720 -16.351
40 H CYS 7 H CYS 7 -3.051 -5.947 -12.016
41 HA CYS 7 HA CYS 7 -1.485 -4.297 -10.333
42 1HB CYS 7 1HB CYS 7 -3.114 -2.700 -9.571
43 2HB CYS 7 2HB CYS 7 -2.999 -2.566 -11.323
44 HA PRO 8 HA PRO 8 -3.499 -8.019 -8.432
45 1HB PRO 8 1HB PRO 8 -1.250 -8.744 -7.053
46 2HB PRO 8 2HB PRO 8 -1.610 -9.278 -8.698
47 1HG PRO 8 1HG PRO 8 0.179 -7.064 -7.775
48 2HG PRO 8 2HG PRO 8 0.451 -8.269 -9.049
49 1HD PRO 8 1HD PRO 8 -0.308 -5.747 -9.616
50 2HD PRO 8 2HD PRO 8 -0.864 -7.132 -10.580
51 H GLU 9 H GLU 9 -4.503 -5.921 -7.430
52 HA GLU 9 HA GLU 9 -5.161 -4.795 -5.578
53 1HB GLU 9 1HB GLU 9 -4.717 -7.450 -4.823
54 2HB GLU 9 2HB GLU 9 -3.958 -6.486 -3.564
55 1HG GLU 9 1HG GLU 9 -6.305 -7.073 -3.082
56 2HG GLU 9 2HG GLU 9 -6.008 -5.336 -3.121
57 H CYS 10 H CYS 10 -4.253 -4.130 -3.245
58 HA CYS 10 HA CYS 10 -2.034 -2.439 -3.801
59 1HB CYS 10 1HB CYS 10 -3.552 -3.003 -1.253
60 2HB CYS 10 2HB CYS 10 -2.261 -1.812 -1.371
61 H THR 11 H THR 11 0.058 -2.664 -3.380
62 HA THR 11 HA THR 11 1.079 -4.398 -1.348
63 HB THR 11 HB THR 11 0.943 -6.225 -2.701
64 HG1 THR 11 HG1 THR 11 2.971 -6.387 -3.942
65 1HG2 THR 11 1HG2 THR 11 0.353 -4.428 -4.739
66 2HG2 THR 11 2HG2 THR 11 1.760 -5.328 -5.303
67 3HG2 THR 11 3HG2 THR 11 0.300 -6.189 -4.815
68 H LEU 12 H LEU 12 3.487 -4.550 -3.423
69 HA LEU 12 HA LEU 12 4.337 -1.767 -3.247
70 1HB LEU 12 1HB LEU 12 5.586 -4.052 -1.798
71 2HB LEU 12 2HB LEU 12 6.601 -2.751 -2.388
72 HG LEU 12 HG LEU 12 5.068 -1.159 -1.082
73 1HD1 LEU 12 1HD1 LEU 12 3.718 -3.627 -0.623
74 2HD1 LEU 12 2HD1 LEU 12 4.350 -3.034 0.914
75 3HD1 LEU 12 3HD1 LEU 12 3.298 -2.011 -0.061
76 1HD2 LEU 12 1HD2 LEU 12 7.350 -2.587 -0.431
77 2HD2 LEU 12 2HD2 LEU 12 6.709 -1.172 0.395
78 3HD2 LEU 12 3HD2 LEU 12 6.298 -2.785 0.972
79 H GLN 13 H GLN 13 5.342 -1.167 -5.034
80 HA GLN 13 HA GLN 13 6.171 -3.226 -6.908
81 1HB GLN 13 1HB GLN 13 5.867 -0.264 -7.194
82 2HB GLN 13 2HB GLN 13 6.425 -1.328 -8.482
83 1HG GLN 13 1HG GLN 13 4.022 -2.363 -7.361
84 2HG GLN 13 2HG GLN 13 3.787 -0.671 -7.794
85 2HE2 GLN 13 2HE2 GLN 13 4.181 -3.871 -8.927
86 1HE2 GLN 13 1HE2 GLN 13 4.047 -3.540 -10.618
87 H GLU 14 H GLU 14 7.677 -3.169 -4.818
88 HA GLU 14 HA GLU 14 9.725 -2.114 -3.970
89 1HB GLU 14 1HB GLU 14 9.599 -4.671 -4.740
90 2HB GLU 14 2HB GLU 14 10.879 -4.104 -5.804
91 1HG GLU 14 1HG GLU 14 12.340 -3.716 -4.089
92 2HG GLU 14 2HG GLU 14 11.055 -3.411 -2.920
93 H ASN 15 H ASN 15 10.842 -0.492 -4.368
94 HA ASN 15 HA ASN 15 11.174 0.797 -6.792
95 1HB ASN 15 1HB ASN 15 11.695 1.298 -4.136
96 2HB ASN 15 2HB ASN 15 13.271 1.387 -4.907
97 2HD2 ASN 15 2HD2 ASN 15 12.718 3.601 -3.936
98 1HD2 ASN 15 1HD2 ASN 15 12.046 4.742 -5.040
99 HA PRO 16 HA PRO 16 14.437 -1.998 -8.253
100 1HB PRO 16 1HB PRO 16 13.930 -0.856 -10.872
101 2HB PRO 16 2HB PRO 16 13.650 -2.506 -10.313
102 1HG PRO 16 1HG PRO 16 11.640 -0.765 -10.916
103 2HG PRO 16 2HG PRO 16 11.475 -2.081 -9.741
104 1HD PRO 16 1HD PRO 16 11.949 0.837 -9.271
105 2HD PRO 16 2HD PRO 16 10.913 -0.296 -8.376
106 H PHE 17 H PHE 17 14.485 1.056 -7.526
107 HA PHE 17 HA PHE 17 16.936 1.716 -9.018
108 1HB PHE 17 1HB PHE 17 15.018 3.283 -9.321
109 2HB PHE 17 2HB PHE 17 15.039 3.590 -7.587
110 HD1 PHE 17 HD1 PHE 17 17.382 3.610 -10.480
111 HD2 PHE 17 HD2 PHE 17 16.149 5.447 -6.848
112 HE1 PHE 17 HE1 PHE 17 19.047 5.391 -10.828
113 HE2 PHE 17 HE2 PHE 17 17.811 7.234 -7.185
114 HZ PHE 17 HZ PHE 17 19.260 7.207 -9.177
115 H PHE 18 H PHE 18 15.336 2.088 -5.895
116 HA PHE 18 HA PHE 18 17.766 2.728 -4.504
117 1HB PHE 18 1HB PHE 18 15.064 3.121 -4.063
118 2HB PHE 18 2HB PHE 18 15.502 1.899 -2.879
119 HD1 PHE 18 HD1 PHE 18 16.669 5.168 -4.193
120 HD2 PHE 18 HD2 PHE 18 16.319 2.578 -0.838
121 HE1 PHE 18 HE1 PHE 18 17.621 6.921 -2.748
122 HE2 PHE 18 HE2 PHE 18 17.268 4.325 0.618
123 HZ PHE 18 HZ PHE 18 17.918 6.500 -0.339
124 H SER 19 H SER 19 16.316 -0.136 -5.523
125 HA SER 19 HA SER 19 16.663 -1.917 -3.455
126 1HB SER 19 1HB SER 19 16.392 -2.079 -6.343
127 2HB SER 19 2HB SER 19 17.418 -3.364 -5.709
128 HG SER 19 HG SER 19 14.723 -2.791 -5.133
129 H GLN 20 H GLN 20 18.408 -1.952 -2.197
130 HA GLN 20 HA GLN 20 21.025 -2.354 -3.491
131 1HB GLN 20 1HB GLN 20 21.005 -1.238 -0.751
132 2HB GLN 20 2HB GLN 20 22.067 -0.880 -2.104
133 1HG GLN 20 1HG GLN 20 20.093 0.356 -3.121
134 2HG GLN 20 2HG GLN 20 19.341 0.221 -1.532
135 2HE2 GLN 20 2HE2 GLN 20 22.626 0.947 -2.663
136 1HE2 GLN 20 1HE2 GLN 20 22.789 2.420 -1.775
137 HA PRO 21 HA PRO 21 21.794 -6.076 -1.290
138 1HB PRO 21 1HB PRO 21 24.031 -4.749 0.168
139 2HB PRO 21 2HB PRO 21 24.031 -6.246 -0.773
140 1HG PRO 21 1HG PRO 21 25.096 -4.027 -1.772
141 2HG PRO 21 2HG PRO 21 24.158 -5.125 -2.801
142 1HD PRO 21 1HD PRO 21 23.373 -2.492 -1.631
143 2HD PRO 21 2HD PRO 21 22.962 -3.193 -3.209
144 H GLY 22 H GLY 22 19.748 -5.520 -0.076
145 1HA GLY 22 1HA GLY 22 20.385 -5.104 2.780
146 2HA GLY 22 2HA GLY 22 19.190 -6.264 2.221
147 H ALA 23 H ALA 23 18.628 -3.893 0.154
148 HA ALA 23 HA ALA 23 16.360 -2.952 1.625
149 1HB ALA 23 1HB ALA 23 17.340 -1.184 2.584
150 2HB ALA 23 3HB ALA 23 18.792 -1.356 1.598
151 3HB ALA 23 2HB ALA 23 17.397 -0.481 0.967
152 HA PRO 24 HA PRO 24 15.291 -2.626 -2.681
153 1HB PRO 24 1HB PRO 24 13.437 -4.530 -2.551
154 2HB PRO 24 2HB PRO 24 15.151 -4.949 -2.472
155 1HG PRO 24 1HG PRO 24 13.118 -5.038 -0.347
156 2HG PRO 24 2HG PRO 24 14.686 -5.854 -0.434
157 1HD PRO 24 1HD PRO 24 13.979 -3.338 0.864
158 2HD PRO 24 2HD PRO 24 15.453 -4.318 1.031
159 H ILE 25 H ILE 25 14.540 -0.475 -2.028
160 HA ILE 25 HA ILE 25 12.362 0.281 -0.712
161 HB ILE 25 HB ILE 25 13.457 1.380 -3.275
162 1HG1 ILE 25 1HG1 ILE 25 15.015 1.246 -1.445
163 2HG1 ILE 25 2HG1 ILE 25 14.497 2.925 -1.612
164 1HG2 ILE 25 1HG2 ILE 25 11.388 2.380 -1.328
165 2HG2 ILE 25 2HG2 ILE 25 12.386 3.506 -2.239
166 3HG2 ILE 25 3HG2 ILE 25 11.317 2.399 -3.091
167 1HD1 ILE 25 1HD1 ILE 25 12.717 2.328 0.118
168 2HD1 ILE 25 2HD1 ILE 25 13.712 0.911 0.438
169 3HD1 ILE 25 3HD1 ILE 25 14.383 2.525 0.662
170 H LEU 26 H LEU 26 10.430 1.482 -2.017
171 HA LEU 26 HA LEU 26 9.109 -0.453 -3.738
172 1HB LEU 26 1HB LEU 26 7.503 0.270 -1.480
173 2HB LEU 26 2HB LEU 26 7.933 -1.329 -2.078
174 HG LEU 26 HG LEU 26 10.060 0.164 -0.714
175 1HD1 LEU 26 1HD1 LEU 26 7.640 0.250 0.514
176 2HD1 LEU 26 2HD1 LEU 26 8.330 -1.219 1.198
177 3HD1 LEU 26 3HD1 LEU 26 9.196 0.308 1.333
178 1HD2 LEU 26 1HD2 LEU 26 9.839 -2.359 -1.609
179 2HD2 LEU 26 2HD2 LEU 26 10.893 -1.895 -0.273
180 3HD2 LEU 26 3HD2 LEU 26 9.309 -2.594 0.056
181 H GLN 27 H GLN 27 6.603 0.254 -3.134
182 HA GLN 27 HA GLN 27 5.697 2.789 -3.032
183 1HB GLN 27 1HB GLN 27 7.177 3.574 -4.709
184 2HB GLN 27 2HB GLN 27 6.821 2.218 -5.770
185 1HG GLN 27 1HG GLN 27 5.549 3.760 -6.813
186 2HG GLN 27 2HG GLN 27 4.368 3.283 -5.594
187 2HE2 GLN 27 2HE2 GLN 27 6.189 5.815 -6.896
188 1HE2 GLN 27 1HE2 GLN 27 5.780 7.032 -5.740
189 H CYS 28 H CYS 28 4.221 1.042 -2.247
190 HA CYS 28 HA CYS 28 2.814 -0.855 -3.275
191 1HB CYS 28 1HB CYS 28 1.390 1.595 -2.209
192 2HB CYS 28 2HB CYS 28 0.662 0.009 -2.396
193 H MET 29 H MET 29 2.192 -1.377 -5.262
194 HA MET 29 HA MET 29 1.809 0.341 -7.398
195 1HB MET 29 1HB MET 29 2.035 -1.976 -7.861
196 2HB MET 29 2HB MET 29 0.679 -2.393 -6.825
197 1HG MET 29 1HG MET 29 0.410 -2.419 -9.404
198 2HG MET 29 2HG MET 29 -0.884 -1.791 -8.384
199 1HE MET 29 1HE MET 29 2.071 -1.098 -10.636
200 2HE MET 29 2HE MET 29 1.928 0.597 -11.101
201 3HE MET 29 3HE MET 29 2.554 0.171 -9.508
202 H GLY 30 H GLY 30 -0.509 -0.803 -4.990
203 1HA GLY 30 1HA GLY 30 -2.127 1.495 -5.167
204 2HA GLY 30 2HA GLY 30 -2.565 -0.005 -4.367
205 H CYS 31 H CYS 31 -4.360 -0.892 -5.105
206 HA CYS 31 HA CYS 31 -5.797 -0.022 -7.308
207 1HB CYS 31 1HB CYS 31 -3.878 -1.053 -8.566
208 2HB CYS 31 2HB CYS 31 -4.369 -2.615 -7.920
209 H CYS 32 H CYS 32 -7.092 -0.294 -5.299
210 HA CYS 32 HA CYS 32 -7.825 -2.937 -4.464
211 1HB CYS 32 1HB CYS 32 -9.480 -0.510 -3.872
212 2HB CYS 32 2HB CYS 32 -9.156 -1.908 -2.853
213 H PHE 33 H PHE 33 -9.999 -3.816 -4.577
214 HA PHE 33 HA PHE 33 -12.042 -2.834 -6.195
215 1HB PHE 33 1HB PHE 33 -11.778 -4.358 -8.178
216 2HB PHE 33 2HB PHE 33 -10.605 -3.049 -8.098
217 HD1 PHE 33 HD1 PHE 33 -8.271 -3.505 -7.537
218 HD2 PHE 33 HD2 PHE 33 -11.110 -6.648 -7.953
219 HE1 PHE 33 HE1 PHE 33 -6.436 -5.134 -7.705
220 HE2 PHE 33 HE2 PHE 33 -9.278 -8.285 -8.120
221 HZ PHE 33 HZ PHE 33 -6.938 -7.527 -7.995
222 H SER 34 H SER 34 -13.846 -3.977 -5.808
223 HA SER 34 HA SER 34 -15.223 -5.551 -4.905
224 1HB SER 34 1HB SER 34 -13.103 -7.273 -6.183
225 2HB SER 34 2HB SER 34 -14.505 -7.970 -5.374
226 HG SER 34 HG SER 34 -14.353 -7.031 -7.839
227 H ARG 35 H ARG 35 -14.965 -7.837 -3.547
228 HA ARG 35 HA ARG 35 -13.056 -7.272 -1.379
229 1HB ARG 35 1HB ARG 35 -15.515 -6.631 -0.929
230 2HB ARG 35 2HB ARG 35 -15.812 -8.362 -0.860
231 1HG ARG 35 1HG ARG 35 -14.728 -8.613 1.119
232 2HG ARG 35 2HG ARG 35 -13.600 -7.297 0.796
233 1HD ARG 35 1HD ARG 35 -15.764 -5.822 0.992
234 2HD ARG 35 2HD ARG 35 -16.367 -7.204 1.905
235 HE ARG 35 HE ARG 35 -13.826 -6.493 2.874
236 1HH1 ARG 35 1HH1 ARG 35 -17.105 -5.316 2.805
237 2HH1 ARG 35 2HH1 ARG 35 -16.959 -4.443 4.293
238 1HH2 ARG 35 1HH2 ARG 35 -13.625 -5.349 4.834
239 2HH2 ARG 35 2HH2 ARG 35 -14.980 -4.461 5.447
240 H ALA 36 H ALA 36 -12.606 -9.158 0.003
241 HA ALA 36 HA ALA 36 -13.114 -11.748 -1.270
242 1HB ALA 36 1HB ALA 36 -10.737 -10.467 -1.659
243 2HB ALA 36 2HB ALA 36 -10.387 -11.500 -0.274
244 3HB ALA 36 3HB ALA 36 -10.992 -12.209 -1.772
245 H TYR 37 H TYR 37 -14.549 -11.378 0.727
246 HA TYR 37 HA TYR 37 -13.425 -12.965 2.872
247 1HB TYR 37 1HB TYR 37 -13.948 -10.084 3.130
248 2HB TYR 37 2HB TYR 37 -14.689 -11.066 4.387
249 HD1 TYR 37 HD1 TYR 37 -11.848 -12.803 3.350
250 HD2 TYR 37 HD2 TYR 37 -12.996 -9.372 5.591
251 HE1 TYR 37 HE1 TYR 37 -9.703 -12.873 4.546
252 HE2 TYR 37 HE2 TYR 37 -10.853 -9.434 6.793
253 HH TYR 37 HH TYR 37 -8.499 -10.350 6.310
254 HA PRO 38 HA PRO 38 -17.939 -13.552 1.225
255 1HB PRO 38 1HB PRO 38 -17.176 -16.316 1.720
256 2HB PRO 38 2HB PRO 38 -17.745 -15.571 0.227
257 1HG PRO 38 1HG PRO 38 -15.020 -16.183 1.051
258 2HG PRO 38 2HG PRO 38 -15.623 -15.707 -0.543
259 1HD PRO 38 1HD PRO 38 -14.047 -14.113 1.016
260 2HD PRO 38 2HD PRO 38 -15.213 -13.481 -0.165
261 H THR 39 H THR 39 -19.520 -13.522 2.676
262 HA THR 39 HA THR 39 -20.638 -13.620 4.650
263 HB THR 39 HB THR 39 -20.723 -15.722 5.735
264 HG1 THR 39 HG1 THR 39 -18.071 -15.747 5.254
265 1HG2 THR 39 1HG2 THR 39 -21.442 -15.818 3.372
266 2HG2 THR 39 2HG2 THR 39 -19.828 -16.386 2.943
267 3HG2 THR 39 3HG2 THR 39 -20.854 -17.357 3.999
268 HA PRO 40 HA PRO 40 -18.322 -11.732 7.853
269 1HB PRO 40 1HB PRO 40 -20.021 -13.138 9.821
270 2HB PRO 40 2HB PRO 40 -19.812 -11.405 9.551
271 1HG PRO 40 1HG PRO 40 -22.060 -12.663 8.824
272 2HG PRO 40 2HG PRO 40 -21.380 -11.348 7.847
273 1HD PRO 40 1HD PRO 40 -21.258 -14.302 7.400
274 2HD PRO 40 2HD PRO 40 -21.488 -12.992 6.223
275 H LEU 41 H LEU 41 -16.910 -12.122 9.655
276 HA LEU 41 HA LEU 41 -16.123 -14.946 9.954
277 1HB LEU 41 1HB LEU 41 -14.241 -12.591 10.028
278 2HB LEU 41 2HB LEU 41 -13.816 -14.293 10.043
279 HG LEU 41 HG LEU 41 -15.016 -12.771 7.729
280 1HD1 LEU 41 1HD1 LEU 41 -12.292 -13.420 8.559
281 2HD1 LEU 41 2HD1 LEU 41 -12.666 -13.883 6.899
282 3HD1 LEU 41 3HD1 LEU 41 -12.877 -12.211 7.417
283 1HD2 LEU 41 1HD2 LEU 41 -14.319 -15.686 8.030
284 2HD2 LEU 41 2HD2 LEU 41 -15.901 -14.988 7.680
285 3HD2 LEU 41 3HD2 LEU 41 -14.611 -14.896 6.481
286 H ARG 42 H ARG 42 -13.966 -13.647 11.802
287 HA ARG 42 HA ARG 42 -14.992 -12.386 13.975
288 1HB ARG 42 1HB ARG 42 -16.085 -15.059 13.757
289 2HB ARG 42 2HB ARG 42 -15.190 -14.867 15.259
290 1HG ARG 42 1HG ARG 42 -16.737 -13.521 16.150
291 2HG ARG 42 2HG ARG 42 -16.973 -12.632 14.643
292 1HD ARG 42 1HD ARG 42 -18.230 -14.678 13.813
293 2HD ARG 42 2HD ARG 42 -18.212 -15.239 15.484
294 HE ARG 42 HE ARG 42 -19.916 -13.256 14.375
295 1HH1 ARG 42 1HH1 ARG 42 -18.186 -14.117 17.270
296 2HH1 ARG 42 2HH1 ARG 42 -19.265 -13.268 18.325
297 1HH2 ARG 42 1HH2 ARG 42 -21.348 -12.138 15.752
298 2HH2 ARG 42 2HH2 ARG 42 -21.066 -12.144 17.461
299 H SER 43 H SER 43 -12.729 -11.853 13.657
300 HA SER 43 HA SER 43 -11.038 -12.644 15.615
301 1HB SER 43 1HB SER 43 -9.430 -14.177 14.331
302 2HB SER 43 2HB SER 43 -10.927 -14.901 14.919
303 HG SER 43 HG SER 43 -11.691 -14.214 12.669
304 H LYS 44 H LYS 44 -10.410 -10.525 15.468
305 HA LYS 44 HA LYS 44 -9.300 -8.674 14.735
306 1HB LYS 44 1HB LYS 44 -7.397 -10.210 15.032
307 2HB LYS 44 2HB LYS 44 -7.583 -10.758 13.373
308 1HG LYS 44 1HG LYS 44 -7.179 -8.387 12.651
309 2HG LYS 44 2HG LYS 44 -6.749 -8.032 14.323
310 1HD LYS 44 1HD LYS 44 -5.329 -9.731 12.315
311 2HD LYS 44 2HD LYS 44 -4.687 -8.472 13.371
312 1HE LYS 44 1HE LYS 44 -3.892 -10.294 14.475
313 2HE LYS 44 2HE LYS 44 -5.472 -10.179 15.246
314 1HZ LYS 44 1HZ LYS 44 -5.944 -11.696 13.044
315 2HZ LYS 44 2HZ LYS 44 -4.418 -12.229 13.541
316 3HZ LYS 44 3HZ LYS 44 -5.726 -12.285 14.614
317 H LYS 45 H LYS 45 -10.588 -7.515 13.411
318 HA LYS 45 HA LYS 45 -11.334 -8.337 10.796
319 1HB LYS 45 1HB LYS 45 -12.277 -6.485 12.554
320 2HB LYS 45 2HB LYS 45 -11.433 -5.451 11.410
321 1HG LYS 45 1HG LYS 45 -13.808 -5.713 10.871
322 2HG LYS 45 2HG LYS 45 -12.761 -6.312 9.587
323 1HD LYS 45 1HD LYS 45 -14.356 -7.982 9.748
324 2HD LYS 45 2HD LYS 45 -13.058 -8.608 10.764
325 1HE LYS 45 1HE LYS 45 -14.788 -6.951 12.330
326 2HE LYS 45 2HE LYS 45 -15.746 -8.151 11.464
327 1HZ LYS 45 1HZ LYS 45 -13.990 -9.789 12.323
328 2HZ LYS 45 2HZ LYS 45 -13.598 -8.578 13.437
329 3HZ LYS 45 3HZ LYS 45 -15.159 -9.230 13.407
330 H THR 46 H THR 46 -11.003 -6.081 9.219
331 HA THR 46 HA THR 46 -8.152 -6.283 8.610
332 HB THR 46 HB THR 46 -8.685 -5.620 6.401
333 HG1 THR 46 HG1 THR 46 -11.260 -4.888 7.334
334 1HG2 THR 46 1HG2 THR 46 -9.905 -7.826 7.463
335 2HG2 THR 46 2HG2 THR 46 -11.237 -6.983 6.672
336 3HG2 THR 46 3HG2 THR 46 -9.803 -7.425 5.747
337 H MET 47 H MET 47 -6.833 -4.489 8.283
338 HA MET 47 HA MET 47 -6.797 -2.459 10.027
339 1HB MET 47 1HB MET 47 -5.651 -2.869 7.380
340 2HB MET 47 2HB MET 47 -5.889 -1.165 7.747
341 1HG MET 47 1HG MET 47 -3.660 -1.971 8.374
342 2HG MET 47 2HG MET 47 -4.577 -1.363 9.751
343 1HE MET 47 1HE MET 47 -3.415 -2.233 11.541
344 2HE MET 47 2HE MET 47 -4.946 -2.960 12.028
345 3HE MET 47 3HE MET 47 -3.457 -3.900 12.115
346 H LEU 48 H LEU 48 -7.603 -0.412 10.289
347 HA LEU 48 HA LEU 48 -9.732 0.401 8.426
348 1HB LEU 48 1HB LEU 48 -9.731 0.517 11.439
349 2HB LEU 48 2HB LEU 48 -10.905 1.349 10.437
350 HG LEU 48 HG LEU 48 -10.508 -1.637 10.633
351 1HD1 LEU 48 1HD1 LEU 48 -11.935 0.096 12.261
352 2HD1 LEU 48 2HD1 LEU 48 -13.147 -0.590 11.179
353 3HD1 LEU 48 3HD1 LEU 48 -12.130 -1.653 12.151
354 1HD2 LEU 48 1HD2 LEU 48 -11.573 -0.070 8.504
355 2HD2 LEU 48 2HD2 LEU 48 -11.474 -1.825 8.648
356 3HD2 LEU 48 3HD2 LEU 48 -12.887 -0.968 9.266
357 H VAL 49 H VAL 49 -10.310 2.753 8.666
358 HA VAL 49 HA VAL 49 -8.160 4.372 8.065
359 HB VAL 49 HB VAL 49 -10.992 4.803 8.678
360 1HG1 VAL 49 1HG1 VAL 49 -9.038 7.047 9.160
361 2HG1 VAL 49 2HG1 VAL 49 -10.781 7.239 8.981
362 3HG1 VAL 49 3HG1 VAL 49 -10.132 6.326 10.341
363 1HG2 VAL 49 1HG2 VAL 49 -8.982 5.639 6.652
364 2HG2 VAL 49 2HG2 VAL 49 -10.550 4.864 6.436
365 3HG2 VAL 49 3HG2 VAL 49 -10.461 6.584 6.813
366 H GLN 50 H GLN 50 -7.352 6.292 9.262
367 HA GLN 50 HA GLN 50 -6.792 5.529 12.037
368 1HB GLN 50 1HB GLN 50 -4.820 6.896 11.889
369 2HB GLN 50 2HB GLN 50 -4.885 5.852 10.476
370 1HG GLN 50 1HG GLN 50 -5.903 8.671 10.413
371 2HG GLN 50 2HG GLN 50 -4.209 8.276 10.121
372 2HE2 GLN 50 2HE2 GLN 50 -3.637 7.813 8.116
373 1HE2 GLN 50 1HE2 GLN 50 -4.711 7.403 6.826
374 H LYS 51 H LYS 51 -9.269 6.577 11.834
375 HA LYS 51 HA LYS 51 -10.586 8.087 12.934
376 1HB LYS 51 1HB LYS 51 -8.104 8.355 14.179
377 2HB LYS 51 2HB LYS 51 -8.564 9.998 13.758
378 1HG LYS 51 1HG LYS 51 -10.876 8.978 14.831
379 2HG LYS 51 2HG LYS 51 -9.616 8.228 15.813
380 1HD LYS 51 1HD LYS 51 -10.147 11.156 15.375
381 2HD LYS 51 2HD LYS 51 -10.160 10.259 16.895
382 1HE LYS 51 1HE LYS 51 -7.694 10.601 15.202
383 2HE LYS 51 2HE LYS 51 -8.144 11.723 16.482
384 1HZ LYS 51 1HZ LYS 51 -8.192 9.697 17.972
385 2HZ LYS 51 2HZ LYS 51 -7.386 8.876 16.732
386 3HZ LYS 51 3HZ LYS 51 -6.667 10.222 17.460
387 H ASN 52 H ASN 52 -11.383 8.732 10.860
388 HA ASN 52 HA ASN 52 -11.824 11.262 10.311
389 1HB ASN 52 1HB ASN 52 -8.990 10.768 9.726
390 2HB ASN 52 2HB ASN 52 -9.865 11.539 8.408
391 2HD2 ASN 52 2HD2 ASN 52 -10.389 11.870 11.886
392 1HD2 ASN 52 1HD2 ASN 52 -10.044 13.559 11.957
393 H VAL 53 H VAL 53 -13.176 11.412 8.628
394 HA VAL 53 HA VAL 53 -12.905 9.510 6.406
395 HB VAL 53 HB VAL 53 -15.389 9.234 6.383
396 1HG1 VAL 53 1HG1 VAL 53 -13.500 8.072 8.265
397 2HG1 VAL 53 2HG1 VAL 53 -15.175 7.935 8.802
398 3HG1 VAL 53 3HG1 VAL 53 -14.696 7.292 7.230
399 1HG2 VAL 53 1HG2 VAL 53 -15.209 11.169 8.484
400 2HG2 VAL 53 2HG2 VAL 53 -16.643 10.525 7.684
401 3HG2 VAL 53 3HG2 VAL 53 -15.979 9.704 9.096
402 H THR 54 H THR 54 -12.147 11.222 5.115
403 HA THR 54 HA THR 54 -14.271 13.005 4.176
404 HB THR 54 HB THR 54 -12.489 14.840 3.998
405 HG1 THR 54 HG1 THR 54 -11.241 13.634 6.175
406 1HG2 THR 54 1HG2 THR 54 -13.635 13.959 6.617
407 2HG2 THR 54 2HG2 THR 54 -12.640 15.409 6.479
408 3HG2 THR 54 3HG2 THR 54 -14.146 15.281 5.569
409 H SER 55 H SER 55 -13.864 13.907 2.053
410 HA SER 55 HA SER 55 -13.097 13.883 -0.099
411 1HB SER 55 1HB SER 55 -10.809 13.880 0.913
412 2HB SER 55 2HB SER 55 -10.847 12.118 0.896
413 HG SER 55 HG SER 55 -10.607 12.113 -1.221
414 H GLU 56 H GLU 56 -12.778 12.326 -1.948
415 HA GLU 56 HA GLU 56 -14.052 9.737 -1.355
416 1HB GLU 56 1HB GLU 56 -14.660 10.466 -4.024
417 2HB GLU 56 2HB GLU 56 -15.768 10.279 -2.673
418 1HG GLU 56 1HG GLU 56 -14.990 12.707 -2.091
419 2HG GLU 56 2HG GLU 56 -14.545 12.748 -3.796
420 H SER 57 H SER 57 -13.948 8.778 -4.017
421 HA SER 57 HA SER 57 -12.572 7.533 -5.336
422 1HB SER 57 1HB SER 57 -11.962 9.609 -6.361
423 2HB SER 57 2HB SER 57 -10.898 10.031 -5.019
424 HG SER 57 HG SER 57 -9.528 8.345 -5.638
425 H THR 58 H THR 58 -11.674 5.722 -4.630
426 HA THR 58 HA THR 58 -10.026 5.737 -2.251
427 HB THR 58 HB THR 58 -10.011 3.156 -2.987
428 HG1 THR 58 HG1 THR 58 -11.150 3.527 -4.911
429 1HG2 THR 58 1HG2 THR 58 -10.985 4.103 -0.905
430 2HG2 THR 58 2HG2 THR 58 -12.471 4.416 -1.804
431 3HG2 THR 58 3HG2 THR 58 -11.897 2.760 -1.592
432 H CYS 59 H CYS 59 -7.914 5.262 -2.092
433 HA CYS 59 HA CYS 59 -6.359 4.213 -4.256
434 1HB CYS 59 1HB CYS 59 -5.363 6.886 -3.424
435 2HB CYS 59 2HB CYS 59 -5.175 6.046 -4.957
436 H CYS 60 H CYS 60 -4.722 3.090 -3.399
437 HA CYS 60 HA CYS 60 -4.339 3.045 -0.586
438 1HB CYS 60 1HB CYS 60 -3.305 1.569 -2.917
439 2HB CYS 60 2HB CYS 60 -2.205 1.654 -1.545
440 H VAL 61 H VAL 61 -3.087 4.267 0.635
441 HA VAL 61 HA VAL 61 -0.760 5.596 -0.596
442 HB VAL 61 HB VAL 61 -2.728 6.724 1.390
443 1HG1 VAL 61 1HG1 VAL 61 0.131 7.318 1.050
444 2HG1 VAL 61 2HG1 VAL 61 -0.933 8.724 1.029
445 3HG1 VAL 61 3HG1 VAL 61 -0.940 7.633 2.416
446 1HG2 VAL 61 1HG2 VAL 61 -3.242 6.972 -1.001
447 2HG2 VAL 61 2HG2 VAL 61 -2.918 8.524 -0.226
448 3HG2 VAL 61 3HG2 VAL 61 -1.688 7.770 -1.239
449 H ALA 62 H ALA 62 0.020 3.394 0.258
450 HA ALA 62 HA ALA 62 0.967 2.078 1.900
451 1HB ALA 62 2HB ALA 62 2.611 4.315 2.815
452 2HB ALA 62 3HB ALA 62 3.075 2.781 2.081
453 3HB ALA 62 1HB ALA 62 2.539 4.116 1.065
454 H LYS 63 H LYS 63 -0.176 1.432 3.597
455 HA LYS 63 HA LYS 63 -1.410 2.956 5.565
456 1HB LYS 63 1HB LYS 63 -1.855 0.561 5.203
457 2HB LYS 63 2HB LYS 63 -0.228 0.176 5.738
458 1HG LYS 63 1HG LYS 63 -2.157 -0.145 7.392
459 2HG LYS 63 2HG LYS 63 -0.695 0.667 7.957
460 1HD LYS 63 1HD LYS 63 -1.717 2.718 8.076
461 2HD LYS 63 2HD LYS 63 -2.909 2.317 6.839
462 1HE LYS 63 1HE LYS 63 -3.996 0.779 8.444
463 2HE LYS 63 2HE LYS 63 -2.845 1.293 9.677
464 1HZ LYS 63 1HZ LYS 63 -3.728 3.639 9.072
465 2HZ LYS 63 2HZ LYS 63 -5.063 2.797 8.467
466 3HZ LYS 63 3HZ LYS 63 -4.634 2.644 10.097
467 H SER 64 H SER 64 1.773 1.523 5.339
468 HA SER 64 HA SER 64 2.785 3.385 7.337
469 1HB SER 64 1HB SER 64 3.098 0.375 7.464
470 2HB SER 64 2HB SER 64 4.150 1.486 8.342
471 HG SER 64 HG SER 64 1.796 0.572 9.088
472 H TYR 65 H TYR 65 4.509 4.352 6.514
473 HA TYR 65 HA TYR 65 5.894 2.991 4.307
474 1HB TYR 65 1HB TYR 65 6.640 5.455 3.850
475 2HB TYR 65 2HB TYR 65 5.057 4.887 3.329
476 HD1 TYR 65 HD1 TYR 65 3.129 5.256 5.127
477 HD2 TYR 65 HD2 TYR 65 6.771 7.445 4.978
478 HE1 TYR 65 HE1 TYR 65 2.080 7.076 6.404
479 HE2 TYR 65 HE2 TYR 65 5.733 9.273 6.252
480 HH TYR 65 HH TYR 65 3.804 10.092 7.061
481 H ASN 66 H ASN 66 8.093 3.428 3.956
482 HA ASN 66 HA ASN 66 9.539 4.328 6.378
483 1HB ASN 66 1HB ASN 66 9.568 1.678 5.394
484 2HB ASN 66 2HB ASN 66 11.121 2.390 4.967
485 2HD2 ASN 66 2HD2 ASN 66 12.500 3.106 6.610
486 1HD2 ASN 66 1HD2 ASN 66 12.327 2.560 8.240
487 H ARG 67 H ARG 67 8.662 5.540 4.091
488 HA ARG 67 HA ARG 67 9.664 6.206 1.911
489 1HB ARG 67 1HB ARG 67 10.196 8.622 2.715
490 2HB ARG 67 2HB ARG 67 8.558 7.993 2.852
491 1HG ARG 67 1HG ARG 67 8.665 7.795 5.112
492 2HG ARG 67 2HG ARG 67 10.423 7.635 5.127
493 1HD ARG 67 1HD ARG 67 9.761 10.186 4.056
494 2HD ARG 67 2HD ARG 67 8.850 9.963 5.548
495 HE ARG 67 HE ARG 67 11.290 9.230 6.322
496 1HH1 ARG 67 1HH1 ARG 67 10.220 11.974 4.461
497 2HH1 ARG 67 2HH1 ARG 67 11.501 13.006 5.003
498 1HH2 ARG 67 1HH2 ARG 67 12.978 10.582 7.050
499 2HH2 ARG 67 2HH2 ARG 67 13.069 12.215 6.478
500 H VAL 68 H VAL 68 11.388 6.446 0.766
501 HA VAL 68 HA VAL 68 13.991 6.833 2.036
502 HB VAL 68 HB VAL 68 15.021 5.007 0.986
503 1HG1 VAL 68 1HG1 VAL 68 13.000 4.542 2.726
504 2HG1 VAL 68 2HG1 VAL 68 12.508 3.526 1.374
505 3HG1 VAL 68 3HG1 VAL 68 14.089 3.297 2.122
506 1HG2 VAL 68 1HG2 VAL 68 13.114 5.471 -1.058
507 2HG2 VAL 68 2HG2 VAL 68 14.522 4.417 -1.101
508 3HG2 VAL 68 3HG2 VAL 68 12.964 3.790 -0.575
509 H THR 69 H THR 69 12.594 8.769 0.754
510 HA THR 69 HA THR 69 12.428 9.530 -1.645
511 HB THR 69 HB THR 69 14.465 10.799 0.172
512 HG1 THR 69 HG1 THR 69 12.826 11.956 0.854
513 1HG2 THR 69 1HG2 THR 69 13.921 11.384 -2.599
514 2HG2 THR 69 2HG2 THR 69 13.557 12.753 -1.549
515 3HG2 THR 69 3HG2 THR 69 15.166 12.030 -1.528
516 H VAL 70 H VAL 70 13.185 8.948 -3.544
517 HA VAL 70 HA VAL 70 16.036 8.259 -3.766
518 HB VAL 70 HB VAL 70 15.562 6.573 -5.355
519 1HG1 VAL 70 1HG1 VAL 70 14.930 6.280 -2.799
520 2HG1 VAL 70 2HG1 VAL 70 13.317 6.046 -3.471
521 3HG1 VAL 70 3HG1 VAL 70 14.642 4.994 -3.970
522 1HG2 VAL 70 1HG2 VAL 70 13.767 7.793 -6.544
523 2HG2 VAL 70 2HG2 VAL 70 13.378 6.098 -6.250
524 3HG2 VAL 70 3HG2 VAL 70 12.653 7.354 -5.249
525 H MET 71 H MET 71 16.302 7.906 -6.361
526 HA MET 71 HA MET 71 17.079 9.182 -8.094
527 1HB MET 71 1HB MET 71 14.104 9.595 -8.102
528 2HB MET 71 2HB MET 71 15.139 10.140 -9.415
529 1HG MET 71 1HG MET 71 15.965 7.629 -9.247
530 2HG MET 71 2HG MET 71 14.322 7.428 -8.643
531 1HE MET 71 1HE MET 71 15.063 5.815 -10.647
532 2HE MET 71 2HE MET 71 13.402 5.901 -11.235
533 3HE MET 71 3HE MET 71 14.746 6.186 -12.342
534 H GLY 72 H GLY 72 14.973 11.535 -8.605
535 1HA GLY 72 1HA GLY 72 15.436 13.799 -8.669
536 2HA GLY 72 2HA GLY 72 16.779 13.532 -7.568
537 H GLY 73 H GLY 73 15.260 12.122 -5.573
538 1HA GLY 73 1HA GLY 73 13.801 14.421 -4.448
539 2HA GLY 73 2HA GLY 73 14.557 13.139 -3.512
540 H PHE 74 H PHE 74 13.419 11.195 -5.544
541 HA PHE 74 HA PHE 74 10.663 11.202 -5.634
542 1HB PHE 74 1HB PHE 74 12.779 9.128 -5.725
543 2HB PHE 74 2HB PHE 74 11.141 8.557 -5.424
544 HD1 PHE 74 HD1 PHE 74 12.577 11.217 -7.609
545 HD2 PHE 74 HD2 PHE 74 10.233 7.677 -7.342
546 HE1 PHE 74 HE1 PHE 74 12.102 11.357 -10.019
547 HE2 PHE 74 HE2 PHE 74 9.753 7.809 -9.752
548 HZ PHE 74 HZ PHE 74 10.686 9.651 -11.093
549 H LYS 75 H LYS 75 9.446 9.224 -4.441
550 HA LYS 75 HA LYS 75 10.076 9.071 -1.620
551 1HB LYS 75 1HB LYS 75 7.366 10.164 -2.344
552 2HB LYS 75 2HB LYS 75 8.144 10.118 -0.769
553 1HG LYS 75 1HG LYS 75 8.357 12.328 -1.298
554 2HG LYS 75 2HG LYS 75 9.885 11.698 -1.913
555 1HD LYS 75 1HD LYS 75 9.023 11.637 -4.155
556 2HD LYS 75 2HD LYS 75 7.406 12.063 -3.591
557 1HE LYS 75 1HE LYS 75 9.347 13.994 -2.695
558 2HE LYS 75 2HE LYS 75 9.419 13.801 -4.445
559 1HZ LYS 75 1HZ LYS 75 6.904 14.059 -4.357
560 2HZ LYS 75 2HZ LYS 75 7.123 14.640 -2.785
561 3HZ LYS 75 3HZ LYS 75 7.829 15.449 -4.092
562 H VAL 76 H VAL 76 9.974 6.919 -1.446
563 HA VAL 76 HA VAL 76 7.716 5.478 -2.628
564 HB VAL 76 HB VAL 76 9.095 3.385 -2.146
565 1HG1 VAL 76 1HG1 VAL 76 9.236 5.011 -4.283
566 2HG1 VAL 76 2HG1 VAL 76 10.888 5.208 -3.697
567 3HG1 VAL 76 3HG1 VAL 76 10.280 3.603 -4.097
568 1HG2 VAL 76 1HG2 VAL 76 10.475 5.367 -0.608
569 2HG2 VAL 76 2HG2 VAL 76 10.764 3.633 -0.684
570 3HG2 VAL 76 3HG2 VAL 76 11.596 4.718 -1.800
571 H GLU 77 H GLU 77 8.157 7.006 -0.058
572 HA GLU 77 HA GLU 77 7.948 6.564 2.266
573 1HB GLU 77 1HB GLU 77 5.308 5.414 1.743
574 2HB GLU 77 2HB GLU 77 5.726 6.902 2.582
575 1HG GLU 77 1HG GLU 77 5.814 6.694 -0.403
576 2HG GLU 77 2HG GLU 77 4.323 7.065 0.460
577 H ASN 78 H ASN 78 9.411 4.568 1.170
578 HA ASN 78 HA ASN 78 9.439 2.187 0.834
579 1HB ASN 78 1HB ASN 78 11.088 2.804 2.550
580 2HB ASN 78 2HB ASN 78 9.828 2.750 3.775
581 H HIS 79 H HIS 79 7.035 2.307 0.461
582 HA HIS 79 HA HIS 79 5.141 2.068 2.284
583 1HB HIS 79 1HB HIS 79 5.258 0.562 -0.324
584 2HB HIS 79 2HB HIS 79 3.805 0.714 0.671
585 HD1 HIS 79 HD1 HIS 79 2.980 2.113 -1.635
586 HD2 HIS 79 HD2 HIS 79 5.765 3.816 0.894
587 HE1 HIS 79 HE1 HIS 79 2.980 4.579 -2.170
588 H THR 80 H THR 80 5.631 1.169 4.091
589 HA THR 80 HA THR 80 6.413 -1.611 4.239
590 HB THR 80 HB THR 80 6.824 -1.215 6.515
591 HG1 THR 80 HG1 THR 80 4.610 0.240 6.398
592 1HG2 THR 80 1HG2 THR 80 8.210 0.208 4.948
593 2HG2 THR 80 2HG2 THR 80 7.172 1.557 5.403
594 3HG2 THR 80 3HG2 THR 80 8.144 0.740 6.627
595 H ALA 81 H ALA 81 3.572 -0.025 3.769
596 HA ALA 81 HA ALA 81 1.953 -2.287 4.026
597 1HB ALA 81 3HB ALA 81 2.098 -1.945 6.420
598 2HB ALA 81 1HB ALA 81 1.647 -0.250 6.236
599 3HB ALA 81 2HB ALA 81 0.478 -1.518 5.869
600 H CYS 82 H CYS 82 0.022 -1.915 2.891
601 HA CYS 82 HA CYS 82 -0.341 0.859 1.957
602 1HB CYS 82 1HB CYS 82 -1.447 -1.407 0.371
603 2HB CYS 82 2HB CYS 82 -0.839 0.153 -0.168
604 H HIS 83 H HIS 83 -2.478 1.632 1.642
605 HA HIS 83 HA HIS 83 -4.699 0.036 2.594
606 1HB HIS 83 1HB HIS 83 -5.322 1.432 4.416
607 2HB HIS 83 2HB HIS 83 -3.614 1.068 4.637
608 HD1 HIS 83 HD1 HIS 83 -5.197 3.603 5.770
609 HD2 HIS 83 HD2 HIS 83 -2.651 3.534 2.488
610 HE1 HIS 83 HE1 HIS 83 -4.395 5.972 5.490
611 HE2 HIS 83 HE2 HIS 83 -2.786 5.888 3.553
612 H CYS 84 H CYS 84 -6.299 0.393 1.221
613 HA CYS 84 HA CYS 84 -6.375 2.197 -0.823
614 1HB CYS 84 1HB CYS 84 -8.832 1.230 0.648
615 2HB CYS 84 2HB CYS 84 -8.740 1.751 -1.031
616 H SER 85 H SER 85 -8.434 3.794 -0.989
617 HA SER 85 HA SER 85 -9.127 5.917 -0.559
618 1HB SER 85 1HB SER 85 -10.151 6.258 1.491
619 2HB SER 85 2HB SER 85 -10.041 4.498 1.461
620 HG SER 85 HG SER 85 -8.358 6.326 2.823
621 H THR 86 H THR 86 -8.518 8.025 0.416
622 HA THR 86 HA THR 86 -6.996 9.566 1.218
623 HB THR 86 HB THR 86 -4.940 7.370 1.428
624 HG1 THR 86 HG1 THR 86 -5.768 7.539 3.756
625 1HG2 THR 86 1HG2 THR 86 -5.154 10.138 2.397
626 2HG2 THR 86 2HG2 THR 86 -4.531 8.954 3.548
627 3HG2 THR 86 3HG2 THR 86 -3.733 9.176 1.990
628 H CYS 87 H CYS 87 -6.791 10.696 -0.652
629 HA CYS 87 HA CYS 87 -4.405 10.665 -2.077
630 1HB CYS 87 1HB CYS 87 -5.253 9.823 -4.295
631 2HB CYS 87 2HB CYS 87 -5.032 8.584 -3.067
632 H TYR 88 H TYR 88 -6.031 12.589 -0.935
633 HA TYR 88 HA TYR 88 -6.205 14.478 -3.039
634 1HB TYR 88 1HB TYR 88 -8.468 12.885 -2.826
635 2HB TYR 88 2HB TYR 88 -8.898 14.333 -1.923
636 HD1 TYR 88 HD1 TYR 88 -6.880 13.849 -5.034
637 HD2 TYR 88 HD2 TYR 88 -10.306 15.611 -3.230
638 HE1 TYR 88 HE1 TYR 88 -7.391 15.004 -7.145
639 HE2 TYR 88 HE2 TYR 88 -10.826 16.771 -5.335
640 HH TYR 88 HH TYR 88 -8.789 17.303 -7.695
641 H TYR 89 H TYR 89 -8.130 16.182 -1.864
642 HA TYR 89 HA TYR 89 -8.081 16.636 0.818
643 1HB TYR 89 1HB TYR 89 -6.197 18.495 0.778
644 2HB TYR 89 2HB TYR 89 -5.818 16.820 1.159
645 HD1 TYR 89 HD1 TYR 89 -6.120 18.996 -1.876
646 HD2 TYR 89 HD2 TYR 89 -3.962 15.930 0.139
647 HE1 TYR 89 HE1 TYR 89 -4.467 18.971 -3.696
648 HE2 TYR 89 HE2 TYR 89 -2.304 15.899 -1.675
649 HH TYR 89 HH TYR 89 -1.537 17.816 -3.495
650 H HIS 90 H HIS 90 -9.595 17.152 -1.557
651 HA HIS 90 HA HIS 90 -9.763 20.090 -1.519
652 1HB HIS 90 1HB HIS 90 -10.045 18.096 -3.645
653 2HB HIS 90 2HB HIS 90 -11.365 19.258 -3.605
654 HD1 HIS 90 HD1 HIS 90 -10.955 21.297 -4.928
655 HD2 HIS 90 HD2 HIS 90 -7.404 19.552 -3.655
656 HE1 HIS 90 HE1 HIS 90 -9.121 22.686 -5.947
657 HE2 HIS 90 HE2 HIS 90 -6.981 21.643 -5.119
658 H LYS 91 H LYS 91 -12.152 20.766 -2.125
659 HA LYS 91 HA LYS 91 -14.262 19.153 -1.125
660 1HB LYS 91 1HB LYS 91 -12.934 19.936 0.962
661 2HB LYS 91 2HB LYS 91 -13.666 21.503 0.650
662 1HG LYS 91 1HG LYS 91 -15.605 20.873 1.535
663 2HG LYS 91 2HG LYS 91 -15.626 19.372 0.607
664 1HD LYS 91 1HD LYS 91 -14.000 18.430 2.267
665 2HD LYS 91 2HD LYS 91 -14.238 19.886 3.234
666 1HE LYS 91 1HE LYS 91 -15.745 18.427 4.195
667 2HE LYS 91 2HE LYS 91 -16.760 19.282 3.035
668 1HZ LYS 91 1HZ LYS 91 -15.440 16.832 2.137
669 2HZ LYS 91 2HZ LYS 91 -16.746 16.670 3.200
670 3HZ LYS 91 3HZ LYS 91 -16.954 17.460 1.719
671 H SER 92 H SER 92 -15.283 21.975 -0.019
672 HA SER 92 HA SER 92 -17.012 22.590 -2.049
673 1HB SER 92 1HB SER 92 -16.085 23.896 0.366
674 2HB SER 92 2HB SER 92 -16.410 25.076 -0.904
675 HG SER 92 HG SER 92 -18.446 23.669 -1.121
No H/Q in entry = 675
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 1.202 -8.236 -23.034
2 H2 ALA 1 H2 ALA 1 2.636 -9.033 -23.539
3 H3 ALA 1 H3 ALA 1 2.126 -7.598 -24.329
4 HA ALA 1 HA ALA 1 0.659 -8.617 -25.576
5 1HB ALA 1 1HB ALA 1 1.475 -10.636 -26.393
6 2HB ALA 1 3HB ALA 1 2.024 -11.171 -24.804
7 3HB ALA 1 2HB ALA 1 2.896 -9.895 -25.655
8 HA PRO 2 HA PRO 2 -1.627 -11.779 -22.824
9 1HB PRO 2 1HB PRO 2 -0.670 -12.375 -20.385
10 2HB PRO 2 2HB PRO 2 -0.055 -13.150 -21.848
11 1HG PRO 2 1HG PRO 2 1.161 -11.010 -20.183
12 2HG PRO 2 2HG PRO 2 1.944 -12.313 -21.089
13 1HD PRO 2 1HD PRO 2 1.691 -9.645 -21.911
14 2HD PRO 2 2HD PRO 2 2.145 -11.018 -22.937
15 H ASP 3 H ASP 3 -0.126 -9.797 -20.256
16 HA ASP 3 HA ASP 3 -2.790 -8.666 -19.713
17 1HB ASP 3 1HB ASP 3 -1.020 -8.492 -17.437
18 2HB ASP 3 2HB ASP 3 -2.612 -9.234 -17.555
19 H VAL 4 H VAL 4 -2.258 -6.676 -18.029
20 HA VAL 4 HA VAL 4 -0.118 -5.022 -18.264
21 HB VAL 4 HB VAL 4 -0.248 -4.974 -20.653
22 1HG1 VAL 4 1HG1 VAL 4 -2.765 -5.611 -20.570
23 2HG1 VAL 4 2HG1 VAL 4 -3.024 -3.867 -20.610
24 3HG1 VAL 4 3HG1 VAL 4 -2.153 -4.659 -21.923
25 1HG2 VAL 4 1HG2 VAL 4 -1.231 -2.485 -19.296
26 2HG2 VAL 4 2HG2 VAL 4 0.392 -2.868 -19.867
27 3HG2 VAL 4 3HG2 VAL 4 -0.890 -2.516 -21.026
28 H GLN 5 H GLN 5 -0.744 -4.259 -16.316
29 HA GLN 5 HA GLN 5 -1.662 -2.462 -15.113
30 1HB GLN 5 1HB GLN 5 -2.748 -1.610 -17.218
31 2HB GLN 5 2HB GLN 5 -4.094 -2.694 -16.888
32 1HG GLN 5 1HG GLN 5 -4.147 -1.489 -14.587
33 2HG GLN 5 2HG GLN 5 -3.247 -0.233 -15.436
34 2HE2 GLN 5 2HE2 GLN 5 -5.092 1.110 -14.995
35 1HE2 GLN 5 1HE2 GLN 5 -6.477 1.032 -16.024
36 H ASP 6 H ASP 6 -1.512 -4.356 -13.690
37 HA ASP 6 HA ASP 6 -4.132 -4.999 -12.617
38 1HB ASP 6 1HB ASP 6 -4.073 -7.281 -12.883
39 2HB ASP 6 2HB ASP 6 -3.233 -6.795 -14.352
40 H CYS 7 H CYS 7 -4.019 -5.922 -10.458
41 HA CYS 7 HA CYS 7 -1.696 -6.379 -9.011
42 1HB CYS 7 1HB CYS 7 -1.692 -4.193 -7.665
43 2HB CYS 7 2HB CYS 7 -0.955 -4.164 -9.262
44 HA PRO 8 HA PRO 8 -4.962 -7.554 -6.255
45 1HB PRO 8 1HB PRO 8 -3.006 -8.245 -4.250
46 2HB PRO 8 2HB PRO 8 -3.926 -9.322 -5.300
47 1HG PRO 8 1HG PRO 8 -1.210 -8.936 -5.472
48 2HG PRO 8 2HG PRO 8 -2.229 -9.497 -6.808
49 1HD PRO 8 1HD PRO 8 -1.126 -6.772 -6.274
50 2HD PRO 8 2HD PRO 8 -1.352 -7.621 -7.819
51 H GLU 9 H GLU 9 -5.422 -5.165 -6.039
52 HA GLU 9 HA GLU 9 -5.909 -3.365 -4.733
53 1HB GLU 9 1HB GLU 9 -6.747 -5.107 -3.189
54 2HB GLU 9 2HB GLU 9 -5.150 -5.214 -2.462
55 1HG GLU 9 1HG GLU 9 -5.570 -2.597 -2.158
56 2HG GLU 9 2HG GLU 9 -7.243 -3.153 -2.157
57 H CYS 10 H CYS 10 -4.916 -1.589 -3.664
58 HA CYS 10 HA CYS 10 -2.458 -0.812 -4.276
59 1HB CYS 10 1HB CYS 10 -2.351 0.555 -2.235
60 2HB CYS 10 2HB CYS 10 -3.967 0.582 -2.933
61 H THR 11 H THR 11 -0.422 -1.560 -4.057
62 HA THR 11 HA THR 11 0.378 -2.838 -1.586
63 HB THR 11 HB THR 11 1.430 -4.662 -3.294
64 HG1 THR 11 HG1 THR 11 -1.230 -4.654 -4.119
65 1HG2 THR 11 1HG2 THR 11 -0.173 -4.765 -1.135
66 2HG2 THR 11 2HG2 THR 11 -1.233 -5.420 -2.382
67 3HG2 THR 11 3HG2 THR 11 0.340 -6.162 -2.083
68 H LEU 12 H LEU 12 2.647 -3.422 -1.574
69 HA LEU 12 HA LEU 12 4.262 -1.310 -2.559
70 1HB LEU 12 1HB LEU 12 4.649 -3.782 -1.002
71 2HB LEU 12 2HB LEU 12 6.055 -3.164 -1.849
72 HG LEU 12 HG LEU 12 5.010 -0.921 -0.593
73 1HD1 LEU 12 1HD1 LEU 12 3.528 -2.367 0.721
74 2HD1 LEU 12 2HD1 LEU 12 4.921 -3.295 1.275
75 3HD1 LEU 12 3HD1 LEU 12 4.750 -1.600 1.734
76 1HD2 LEU 12 1HD2 LEU 12 7.368 -2.235 -0.882
77 2HD2 LEU 12 2HD2 LEU 12 7.130 -0.811 0.128
78 3HD2 LEU 12 3HD2 LEU 12 7.076 -2.424 0.843
79 H GLN 13 H GLN 13 5.056 -1.106 -4.546
80 HA GLN 13 HA GLN 13 5.399 -3.576 -6.067
81 1HB GLN 13 1HB GLN 13 5.054 -0.822 -7.167
82 2HB GLN 13 2HB GLN 13 5.056 -2.338 -8.066
83 1HG GLN 13 1HG GLN 13 3.120 -2.545 -6.017
84 2HG GLN 13 2HG GLN 13 2.871 -1.006 -6.839
85 2HE2 GLN 13 2HE2 GLN 13 1.799 -4.005 -6.769
86 1HE2 GLN 13 1HE2 GLN 13 1.393 -4.265 -8.428
87 H GLU 14 H GLU 14 7.243 -3.317 -4.538
88 HA GLU 14 HA GLU 14 9.414 -2.271 -4.162
89 1HB GLU 14 1HB GLU 14 9.461 -4.697 -4.385
90 2HB GLU 14 2HB GLU 14 9.609 -4.538 -6.130
91 1HG GLU 14 1HG GLU 14 11.716 -3.116 -5.505
92 2HG GLU 14 2HG GLU 14 11.618 -4.027 -4.001
93 H ASN 15 H ASN 15 10.519 -0.691 -4.821
94 HA ASN 15 HA ASN 15 10.215 0.706 -7.122
95 1HB ASN 15 1HB ASN 15 11.790 0.932 -4.865
96 2HB ASN 15 2HB ASN 15 12.926 0.966 -6.208
97 2HD2 ASN 15 2HD2 ASN 15 9.633 2.123 -5.769
98 1HD2 ASN 15 1HD2 ASN 15 9.955 3.760 -6.215
99 HA PRO 16 HA PRO 16 12.278 -2.262 -9.868
100 1HB PRO 16 1HB PRO 16 11.257 -1.175 -12.153
101 2HB PRO 16 2HB PRO 16 10.370 -2.350 -11.174
102 1HG PRO 16 1HG PRO 16 10.121 0.631 -11.244
103 2HG PRO 16 2HG PRO 16 8.846 -0.597 -11.158
104 1HD PRO 16 1HD PRO 16 9.687 0.783 -8.986
105 2HD PRO 16 2HD PRO 16 9.109 -0.890 -8.888
106 H PHE 17 H PHE 17 12.653 0.781 -8.994
107 HA PHE 17 HA PHE 17 14.626 1.552 -11.008
108 1HB PHE 17 1HB PHE 17 12.657 3.050 -10.108
109 2HB PHE 17 2HB PHE 17 13.739 3.308 -8.745
110 HD1 PHE 17 HD1 PHE 17 16.114 2.893 -10.943
111 HD2 PHE 17 HD2 PHE 17 12.848 5.547 -10.345
112 HE1 PHE 17 HE1 PHE 17 17.290 4.623 -12.249
113 HE2 PHE 17 HE2 PHE 17 14.013 7.288 -11.649
114 HZ PHE 17 HZ PHE 17 16.238 6.823 -12.603
115 H PHE 18 H PHE 18 14.180 1.625 -7.481
116 HA PHE 18 HA PHE 18 17.046 1.701 -7.062
117 1HB PHE 18 1HB PHE 18 14.997 1.496 -4.882
118 2HB PHE 18 2HB PHE 18 16.576 2.274 -4.846
119 HD1 PHE 18 HD1 PHE 18 15.926 3.500 -7.721
120 HD2 PHE 18 HD2 PHE 18 14.053 3.591 -3.907
121 HE1 PHE 18 HE1 PHE 18 14.904 5.665 -8.285
122 HE2 PHE 18 HE2 PHE 18 13.027 5.760 -4.461
123 HZ PHE 18 HZ PHE 18 13.451 6.799 -6.652
124 H SER 19 H SER 19 14.885 -0.677 -7.674
125 HA SER 19 HA SER 19 15.426 -2.654 -5.769
126 1HB SER 19 1HB SER 19 14.410 -2.646 -8.571
127 2HB SER 19 2HB SER 19 14.946 -4.184 -7.897
128 HG SER 19 HG SER 19 12.712 -3.765 -7.520
129 H GLN 20 H GLN 20 17.641 -2.543 -5.299
130 HA GLN 20 HA GLN 20 19.440 -3.529 -7.405
131 1HB GLN 20 1HB GLN 20 21.253 -2.681 -5.852
132 2HB GLN 20 2HB GLN 20 20.235 -1.449 -6.582
133 1HG GLN 20 1HG GLN 20 19.176 -0.955 -4.597
134 2HG GLN 20 2HG GLN 20 19.561 -2.522 -3.883
135 2HE2 GLN 20 2HE2 GLN 20 20.858 0.607 -4.784
136 1HE2 GLN 20 1HE2 GLN 20 22.216 0.567 -3.715
137 HA PRO 21 HA PRO 21 20.061 -7.422 -5.447
138 1HB PRO 21 1HB PRO 21 22.985 -6.961 -5.668
139 2HB PRO 21 2HB PRO 21 22.004 -8.282 -6.309
140 1HG PRO 21 1HG PRO 21 22.973 -6.382 -7.915
141 2HG PRO 21 2HG PRO 21 21.364 -7.079 -8.180
142 1HD PRO 21 1HD PRO 21 22.119 -4.442 -6.989
143 2HD PRO 21 2HD PRO 21 20.760 -4.851 -8.056
144 H GLY 22 H GLY 22 19.363 -5.948 -3.522
145 1HA GLY 22 1HA GLY 22 21.497 -5.489 -1.593
146 2HA GLY 22 2HA GLY 22 20.309 -6.715 -1.169
147 H ALA 23 H ALA 23 19.108 -4.187 -3.091
148 HA ALA 23 HA ALA 23 17.546 -3.201 -0.851
149 1HB ALA 23 2HB ALA 23 18.646 -1.277 -0.588
150 2HB ALA 23 1HB ALA 23 19.829 -1.797 -1.788
151 3HB ALA 23 3HB ALA 23 18.401 -0.891 -2.291
152 HA PRO 24 HA PRO 24 14.859 -3.212 -4.382
153 1HB PRO 24 1HB PRO 24 13.124 -4.918 -3.320
154 2HB PRO 24 2HB PRO 24 14.726 -5.470 -3.825
155 1HG PRO 24 1HG PRO 24 13.653 -5.086 -1.099
156 2HG PRO 24 2HG PRO 24 14.980 -6.121 -1.651
157 1HD PRO 24 1HD PRO 24 15.093 -3.459 -0.517
158 2HD PRO 24 2HD PRO 24 16.427 -4.567 -0.902
159 H ILE 25 H ILE 25 14.704 -0.868 -3.334
160 HA ILE 25 HA ILE 25 12.891 -0.026 -1.585
161 HB ILE 25 HB ILE 25 13.520 1.063 -4.319
162 1HG1 ILE 25 1HG1 ILE 25 15.404 0.957 -2.847
163 2HG1 ILE 25 2HG1 ILE 25 14.833 2.627 -2.787
164 1HG2 ILE 25 1HG2 ILE 25 11.888 2.152 -2.026
165 2HG2 ILE 25 2HG2 ILE 25 12.668 3.216 -3.190
166 3HG2 ILE 25 3HG2 ILE 25 11.442 2.075 -3.727
167 1HD1 ILE 25 1HD1 ILE 25 13.493 1.984 -0.774
168 2HD1 ILE 25 2HD1 ILE 25 14.366 0.453 -0.778
169 3HD1 ILE 25 3HD1 ILE 25 15.244 1.964 -0.560
170 H LEU 26 H LEU 26 10.790 1.270 -2.328
171 HA LEU 26 HA LEU 26 9.033 -0.460 -3.887
172 1HB LEU 26 1HB LEU 26 8.045 0.430 -1.294
173 2HB LEU 26 2HB LEU 26 7.827 -1.110 -2.121
174 HG LEU 26 HG LEU 26 10.530 -0.603 -1.316
175 1HD1 LEU 26 1HD1 LEU 26 9.016 0.458 0.481
176 2HD1 LEU 26 2HD1 LEU 26 8.758 -1.209 0.983
177 3HD1 LEU 26 3HD1 LEU 26 10.386 -0.535 0.956
178 1HD2 LEU 26 1HD2 LEU 26 8.909 -2.784 -1.871
179 2HD2 LEU 26 2HD2 LEU 26 10.597 -2.816 -1.358
180 3HD2 LEU 26 3HD2 LEU 26 9.308 -2.930 -0.158
181 H GLN 27 H GLN 27 6.739 0.418 -3.054
182 HA GLN 27 HA GLN 27 6.184 3.082 -2.741
183 1HB GLN 27 1HB GLN 27 7.534 3.525 -4.724
184 2HB GLN 27 2HB GLN 27 6.538 2.429 -5.670
185 1HG GLN 27 1HG GLN 27 5.910 4.681 -6.169
186 2HG GLN 27 2HG GLN 27 4.600 3.916 -5.271
187 2HE2 GLN 27 2HE2 GLN 27 5.027 6.709 -5.547
188 1HE2 GLN 27 1HE2 GLN 27 5.319 7.351 -3.969
189 H CYS 28 H CYS 28 4.758 1.225 -1.783
190 HA CYS 28 HA CYS 28 2.897 -0.280 -2.879
191 1HB CYS 28 1HB CYS 28 3.073 0.764 -0.437
192 2HB CYS 28 2HB CYS 28 1.727 1.732 -1.028
193 H MET 29 H MET 29 2.155 0.070 -4.907
194 HA MET 29 HA MET 29 1.405 2.534 -5.980
195 1HB MET 29 1HB MET 29 1.897 0.435 -7.256
196 2HB MET 29 2HB MET 29 0.305 -0.156 -6.805
197 1HG MET 29 1HG MET 29 0.630 0.944 -9.107
198 2HG MET 29 2HG MET 29 -0.786 1.375 -8.154
199 1HE MET 29 1HE MET 29 2.792 1.997 -8.680
200 2HE MET 29 2HE MET 29 2.728 3.497 -9.605
201 3HE MET 29 3HE MET 29 3.073 3.540 -7.875
202 H GLY 30 H GLY 30 -1.294 0.668 -6.597
203 1HA GLY 30 1HA GLY 30 -3.027 2.547 -5.366
204 2HA GLY 30 2HA GLY 30 -2.971 1.065 -4.430
205 H CYS 31 H CYS 31 -4.590 -0.239 -4.846
206 HA CYS 31 HA CYS 31 -6.070 -0.013 -7.317
207 1HB CYS 31 1HB CYS 31 -5.408 -2.825 -6.736
208 2HB CYS 31 2HB CYS 31 -5.540 -1.995 -8.282
209 H CYS 32 H CYS 32 -6.935 0.725 -4.921
210 HA CYS 32 HA CYS 32 -8.259 -1.332 -3.454
211 1HB CYS 32 1HB CYS 32 -7.885 1.516 -3.235
212 2HB CYS 32 2HB CYS 32 -9.578 1.115 -2.973
213 H PHE 33 H PHE 33 -9.871 -2.485 -4.259
214 HA PHE 33 HA PHE 33 -11.736 -1.223 -6.137
215 1HB PHE 33 1HB PHE 33 -12.424 -3.702 -6.483
216 2HB PHE 33 2HB PHE 33 -10.894 -3.145 -7.146
217 HD1 PHE 33 HD1 PHE 33 -12.264 -4.686 -4.039
218 HD2 PHE 33 HD2 PHE 33 -9.014 -4.397 -6.771
219 HE1 PHE 33 HE1 PHE 33 -11.078 -6.458 -2.809
220 HE2 PHE 33 HE2 PHE 33 -7.822 -6.168 -5.548
221 HZ PHE 33 HZ PHE 33 -8.853 -7.200 -3.563
222 H SER 34 H SER 34 -13.539 -3.658 -5.429
223 HA SER 34 HA SER 34 -15.256 -2.212 -3.688
224 1HB SER 34 1HB SER 34 -16.745 -4.126 -3.876
225 2HB SER 34 2HB SER 34 -16.069 -3.748 -5.461
226 HG SER 34 HG SER 34 -14.684 -5.476 -5.264
227 H ARG 35 H ARG 35 -16.357 -3.773 -1.893
228 HA ARG 35 HA ARG 35 -14.173 -4.744 -0.174
229 1HB ARG 35 1HB ARG 35 -15.975 -2.550 0.280
230 2HB ARG 35 2HB ARG 35 -16.246 -3.793 1.490
231 1HG ARG 35 1HG ARG 35 -14.348 -3.321 2.553
232 2HG ARG 35 2HG ARG 35 -13.423 -3.257 1.051
233 1HD ARG 35 1HD ARG 35 -13.949 -1.114 2.637
234 2HD ARG 35 2HD ARG 35 -13.573 -1.019 0.917
235 HE ARG 35 HE ARG 35 -15.666 -0.181 0.636
236 1HH1 ARG 35 1HH1 ARG 35 -15.698 -2.298 3.398
237 2HH1 ARG 35 2HH1 ARG 35 -17.383 -2.066 3.723
238 1HH2 ARG 35 1HH2 ARG 35 -17.891 0.129 1.049
239 2HH2 ARG 35 2HH2 ARG 35 -18.632 -0.689 2.384
240 H ALA 36 H ALA 36 -15.799 -5.527 1.974
241 HA ALA 36 HA ALA 36 -17.051 -7.271 2.728
242 1HB ALA 36 2HB ALA 36 -18.508 -7.587 0.164
243 2HB ALA 36 3HB ALA 36 -18.684 -6.055 1.021
244 3HB ALA 36 1HB ALA 36 -19.116 -7.566 1.820
245 H TYR 37 H TYR 37 -15.815 -9.018 2.982
246 HA TYR 37 HA TYR 37 -14.679 -10.399 0.712
247 1HB TYR 37 1HB TYR 37 -14.376 -10.539 3.671
248 2HB TYR 37 2HB TYR 37 -13.972 -11.977 2.740
249 HD1 TYR 37 HD1 TYR 37 -13.486 -8.678 1.265
250 HD2 TYR 37 HD2 TYR 37 -11.631 -11.825 3.444
251 HE1 TYR 37 HE1 TYR 37 -11.279 -7.726 0.747
252 HE2 TYR 37 HE2 TYR 37 -9.419 -10.884 2.934
253 HH TYR 37 HH TYR 37 -8.949 -7.800 1.793
254 HA PRO 38 HA PRO 38 -18.217 -13.072 0.202
255 1HB PRO 38 1HB PRO 38 -16.806 -14.942 -1.295
256 2HB PRO 38 2HB PRO 38 -17.640 -13.528 -1.945
257 1HG PRO 38 1HG PRO 38 -14.745 -13.902 -1.325
258 2HG PRO 38 2HG PRO 38 -15.503 -13.023 -2.665
259 1HD PRO 38 1HD PRO 38 -14.454 -11.738 -0.556
260 2HD PRO 38 2HD PRO 38 -15.926 -11.154 -1.360
261 H THR 39 H THR 39 -18.740 -14.163 1.992
262 HA THR 39 HA THR 39 -16.908 -16.275 2.923
263 HB THR 39 HB THR 39 -18.985 -14.811 4.561
264 HG1 THR 39 HG1 THR 39 -16.906 -13.972 5.513
265 1HG2 THR 39 1HG2 THR 39 -18.364 -17.035 5.424
266 2HG2 THR 39 2HG2 THR 39 -16.680 -16.513 5.472
267 3HG2 THR 39 3HG2 THR 39 -17.880 -15.715 6.488
268 HA PRO 40 HA PRO 40 -19.583 -19.605 1.900
269 1HB PRO 40 1HB PRO 40 -19.489 -20.041 4.871
270 2HB PRO 40 2HB PRO 40 -19.367 -21.226 3.564
271 1HG PRO 40 1HG PRO 40 -17.185 -20.302 4.825
272 2HG PRO 40 2HG PRO 40 -17.172 -20.686 3.095
273 1HD PRO 40 1HD PRO 40 -17.036 -18.068 4.425
274 2HD PRO 40 2HD PRO 40 -16.600 -18.511 2.765
275 H LEU 41 H LEU 41 -21.744 -19.843 1.709
276 HA LEU 41 HA LEU 41 -23.991 -19.697 2.185
277 1HB LEU 41 1HB LEU 41 -23.253 -18.057 4.606
278 2HB LEU 41 2HB LEU 41 -24.804 -18.795 4.265
279 HG LEU 41 HG LEU 41 -22.961 -20.911 4.253
280 1HD1 LEU 41 1HD1 LEU 41 -22.363 -18.869 6.358
281 2HD1 LEU 41 2HD1 LEU 41 -22.136 -20.589 6.677
282 3HD1 LEU 41 3HD1 LEU 41 -21.249 -19.811 5.367
283 1HD2 LEU 41 1HD2 LEU 41 -24.939 -19.974 6.329
284 2HD2 LEU 41 2HD2 LEU 41 -25.248 -21.085 4.993
285 3HD2 LEU 41 3HD2 LEU 41 -24.179 -21.566 6.310
286 H ARG 42 H ARG 42 -22.267 -16.705 3.069
287 HA ARG 42 HA ARG 42 -22.579 -14.534 2.477
288 1HB ARG 42 1HB ARG 42 -22.726 -14.086 0.145
289 2HB ARG 42 2HB ARG 42 -21.808 -15.575 0.322
290 1HG ARG 42 1HG ARG 42 -23.586 -16.895 -0.448
291 2HG ARG 42 2HG ARG 42 -24.755 -15.589 -0.238
292 1HD ARG 42 1HD ARG 42 -23.480 -14.313 -1.992
293 2HD ARG 42 2HD ARG 42 -22.564 -15.789 -2.294
294 HE ARG 42 HE ARG 42 -25.020 -16.701 -2.610
295 1HH1 ARG 42 1HH1 ARG 42 -23.600 -13.728 -3.745
296 2HH1 ARG 42 2HH1 ARG 42 -24.627 -13.619 -5.136
297 1HH2 ARG 42 1HH2 ARG 42 -26.373 -16.568 -4.441
298 2HH2 ARG 42 2HH2 ARG 42 -26.204 -15.232 -5.531
299 H SER 43 H SER 43 -24.094 -13.134 3.053
300 HA SER 43 HA SER 43 -26.885 -13.644 2.289
301 1HB SER 43 1HB SER 43 -26.840 -12.422 4.874
302 2HB SER 43 2HB SER 43 -27.512 -13.985 4.412
303 HG SER 43 HG SER 43 -25.946 -14.825 5.511
304 H LYS 44 H LYS 44 -27.944 -11.897 1.556
305 HA LYS 44 HA LYS 44 -26.498 -9.390 1.394
306 1HB LYS 44 1HB LYS 44 -29.258 -9.479 0.369
307 2HB LYS 44 2HB LYS 44 -27.782 -8.925 -0.410
308 1HG LYS 44 1HG LYS 44 -28.865 -11.714 -0.233
309 2HG LYS 44 2HG LYS 44 -28.501 -10.759 -1.672
310 1HD LYS 44 1HD LYS 44 -26.134 -11.002 -0.092
311 2HD LYS 44 2HD LYS 44 -26.833 -12.605 -0.330
312 1HE LYS 44 1HE LYS 44 -26.420 -12.601 -2.551
313 2HE LYS 44 2HE LYS 44 -26.763 -10.880 -2.715
314 1HZ LYS 44 1HZ LYS 44 -24.265 -12.033 -1.594
315 2HZ LYS 44 2HZ LYS 44 -24.435 -11.381 -3.146
316 3HZ LYS 44 3HZ LYS 44 -24.595 -10.386 -1.787
317 H LYS 45 H LYS 45 -26.576 -8.898 3.675
318 HA LYS 45 HA LYS 45 -29.154 -8.329 4.863
319 1HB LYS 45 1HB LYS 45 -27.389 -9.264 6.260
320 2HB LYS 45 2HB LYS 45 -26.342 -7.902 5.888
321 1HG LYS 45 1HG LYS 45 -28.078 -6.424 6.956
322 2HG LYS 45 2HG LYS 45 -28.860 -7.900 7.525
323 1HD LYS 45 1HD LYS 45 -25.955 -7.623 8.043
324 2HD LYS 45 2HD LYS 45 -27.038 -6.579 8.966
325 1HE LYS 45 1HE LYS 45 -26.588 -8.644 10.173
326 2HE LYS 45 2HE LYS 45 -28.288 -8.542 9.719
327 1HZ LYS 45 1HZ LYS 45 -26.364 -9.976 8.004
328 2HZ LYS 45 2HZ LYS 45 -27.042 -10.739 9.353
329 3HZ LYS 45 3HZ LYS 45 -28.042 -10.170 8.114
330 H THR 46 H THR 46 -29.586 -6.755 3.033
331 HA THR 46 HA THR 46 -28.242 -4.188 3.311
332 HB THR 46 HB THR 46 -28.789 -5.082 1.057
333 HG1 THR 46 HG1 THR 46 -28.841 -3.068 0.542
334 1HG2 THR 46 1HG2 THR 46 -31.522 -5.075 2.150
335 2HG2 THR 46 2HG2 THR 46 -31.328 -4.483 0.500
336 3HG2 THR 46 3HG2 THR 46 -30.786 -6.107 0.924
337 H MET 47 H MET 47 -30.396 -2.523 2.617
338 HA MET 47 HA MET 47 -32.734 -2.347 3.739
339 1HB MET 47 1HB MET 47 -32.297 -3.308 5.828
340 2HB MET 47 2HB MET 47 -30.755 -2.480 5.994
341 1HG MET 47 1HG MET 47 -32.898 -0.575 5.836
342 2HG MET 47 2HG MET 47 -33.213 -1.759 7.104
343 1HE MET 47 1HE MET 47 -32.863 1.258 7.070
344 2HE MET 47 2HE MET 47 -31.754 1.755 8.348
345 3HE MET 47 3HE MET 47 -31.218 1.749 6.668
346 H LEU 48 H LEU 48 -29.570 -0.905 4.010
347 HA LEU 48 HA LEU 48 -29.571 1.276 2.649
348 1HB LEU 48 1HB LEU 48 -31.578 1.704 4.805
349 2HB LEU 48 2HB LEU 48 -30.541 3.053 4.394
350 HG LEU 48 HG LEU 48 -32.924 2.324 3.140
351 1HD1 LEU 48 1HD1 LEU 48 -30.707 4.212 2.404
352 2HD1 LEU 48 2HD1 LEU 48 -32.239 4.146 1.533
353 3HD1 LEU 48 3HD1 LEU 48 -32.215 4.572 3.245
354 1HD2 LEU 48 1HD2 LEU 48 -31.412 0.605 1.964
355 2HD2 LEU 48 2HD2 LEU 48 -32.449 1.627 0.969
356 3HD2 LEU 48 3HD2 LEU 48 -30.732 1.996 1.122
357 H VAL 49 H VAL 49 -28.808 3.431 4.204
358 HA VAL 49 HA VAL 49 -27.113 4.224 5.520
359 HB VAL 49 HB VAL 49 -26.853 1.540 6.842
360 1HG1 VAL 49 1HG1 VAL 49 -25.264 3.284 7.450
361 2HG1 VAL 49 2HG1 VAL 49 -26.594 4.366 7.864
362 3HG1 VAL 49 3HG1 VAL 49 -26.327 2.897 8.803
363 1HG2 VAL 49 1HG2 VAL 49 -29.028 3.573 7.322
364 2HG2 VAL 49 2HG2 VAL 49 -29.228 1.906 6.784
365 3HG2 VAL 49 3HG2 VAL 49 -28.646 2.243 8.415
366 H GLN 50 H GLN 50 -24.890 4.355 5.338
367 HA GLN 50 HA GLN 50 -23.189 2.208 4.703
368 1HB GLN 50 1HB GLN 50 -22.770 3.434 2.291
369 2HB GLN 50 2HB GLN 50 -23.669 1.943 2.525
370 1HG GLN 50 1HG GLN 50 -25.383 4.201 2.966
371 2HG GLN 50 2HG GLN 50 -24.575 4.339 1.406
372 2HE2 GLN 50 2HE2 GLN 50 -27.394 3.741 2.211
373 1HE2 GLN 50 1HE2 GLN 50 -27.793 2.289 1.363
374 H LYS 51 H LYS 51 -22.516 3.737 6.545
375 HA LYS 51 HA LYS 51 -20.811 5.878 5.454
376 1HB LYS 51 1HB LYS 51 -22.735 6.256 7.269
377 2HB LYS 51 2HB LYS 51 -21.439 5.787 8.359
378 1HG LYS 51 1HG LYS 51 -21.611 8.219 8.080
379 2HG LYS 51 2HG LYS 51 -20.051 7.587 7.554
380 1HD LYS 51 1HD LYS 51 -20.354 8.391 5.502
381 2HD LYS 51 2HD LYS 51 -21.916 7.581 5.366
382 1HE LYS 51 1HE LYS 51 -22.859 9.486 6.750
383 2HE LYS 51 2HE LYS 51 -21.326 10.313 6.475
384 1HZ LYS 51 1HZ LYS 51 -22.969 9.278 4.244
385 2HZ LYS 51 2HZ LYS 51 -23.207 10.824 4.886
386 3HZ LYS 51 3HZ LYS 51 -21.721 10.419 4.186
387 H ASN 52 H ASN 52 -20.020 3.166 5.432
388 HA ASN 52 HA ASN 52 -18.234 2.757 7.674
389 1HB ASN 52 1HB ASN 52 -19.210 0.763 6.872
390 2HB ASN 52 2HB ASN 52 -18.888 1.180 5.191
391 2HD2 ASN 52 2HD2 ASN 52 -17.631 -0.181 8.095
392 1HD2 ASN 52 1HD2 ASN 52 -16.138 -0.749 7.437
393 H VAL 53 H VAL 53 -17.996 4.959 5.505
394 HA VAL 53 HA VAL 53 -15.164 5.085 5.511
395 HB VAL 53 HB VAL 53 -15.007 3.573 3.764
396 1HG1 VAL 53 1HG1 VAL 53 -17.611 4.721 2.834
397 2HG1 VAL 53 2HG1 VAL 53 -16.600 3.768 1.749
398 3HG1 VAL 53 3HG1 VAL 53 -17.209 3.053 3.241
399 1HG2 VAL 53 1HG2 VAL 53 -13.891 5.672 3.173
400 2HG2 VAL 53 2HG2 VAL 53 -14.482 4.830 1.741
401 3HG2 VAL 53 3HG2 VAL 53 -15.358 6.225 2.366
402 H THR 54 H THR 54 -14.531 7.157 5.285
403 HA THR 54 HA THR 54 -16.084 9.312 5.496
404 HB THR 54 HB THR 54 -13.935 10.019 5.557
405 HG1 THR 54 HG1 THR 54 -14.860 11.316 3.914
406 1HG2 THR 54 1HG2 THR 54 -13.395 7.993 3.434
407 2HG2 THR 54 2HG2 THR 54 -12.221 9.256 3.803
408 3HG2 THR 54 3HG2 THR 54 -12.720 8.122 5.057
409 H SER 55 H SER 55 -14.872 8.375 2.266
410 HA SER 55 HA SER 55 -17.468 8.797 1.092
411 1HB SER 55 1HB SER 55 -15.540 10.948 1.132
412 2HB SER 55 2HB SER 55 -15.867 10.446 -0.527
413 HG SER 55 HG SER 55 -17.332 12.055 0.259
414 H GLU 56 H GLU 56 -17.206 8.687 -1.431
415 HA GLU 56 HA GLU 56 -15.854 6.219 -1.971
416 1HB GLU 56 1HB GLU 56 -17.929 7.778 -3.182
417 2HB GLU 56 2HB GLU 56 -16.707 7.424 -4.396
418 1HG GLU 56 1HG GLU 56 -18.272 5.467 -2.740
419 2HG GLU 56 2HG GLU 56 -18.330 5.701 -4.487
420 H SER 57 H SER 57 -13.683 6.997 -1.459
421 HA SER 57 HA SER 57 -12.141 7.439 -3.746
422 1HB SER 57 1HB SER 57 -11.349 9.820 -2.635
423 2HB SER 57 2HB SER 57 -12.418 9.663 -4.028
424 HG SER 57 HG SER 57 -14.060 10.267 -2.839
425 H THR 58 H THR 58 -11.621 5.567 -2.154
426 HA THR 58 HA THR 58 -9.918 6.346 0.060
427 HB THR 58 HB THR 58 -9.600 3.672 -0.082
428 HG1 THR 58 HG1 THR 58 -12.205 3.520 -0.708
429 1HG2 THR 58 1HG2 THR 58 -11.818 5.263 1.133
430 2HG2 THR 58 2HG2 THR 58 -11.776 3.506 1.279
431 3HG2 THR 58 3HG2 THR 58 -10.447 4.475 1.913
432 H CYS 59 H CYS 59 -7.707 6.037 0.184
433 HA CYS 59 HA CYS 59 -6.297 4.949 -2.118
434 1HB CYS 59 1HB CYS 59 -4.766 7.036 -2.035
435 2HB CYS 59 2HB CYS 59 -6.305 7.158 -2.880
436 H CYS 60 H CYS 60 -4.465 3.931 -1.580
437 HA CYS 60 HA CYS 60 -3.794 3.805 1.240
438 1HB CYS 60 1HB CYS 60 -2.725 2.226 -1.108
439 2HB CYS 60 2HB CYS 60 -2.357 1.912 0.584
440 H VAL 61 H VAL 61 -2.178 4.859 2.148
441 HA VAL 61 HA VAL 61 0.046 5.820 0.467
442 HB VAL 61 HB VAL 61 -1.416 7.710 1.078
443 1HG1 VAL 61 1HG1 VAL 61 -1.960 6.458 3.351
444 2HG1 VAL 61 2HG1 VAL 61 -0.654 7.490 3.937
445 3HG1 VAL 61 3HG1 VAL 61 -2.083 8.212 3.198
446 1HG2 VAL 61 1HG2 VAL 61 1.149 7.826 0.950
447 2HG2 VAL 61 2HG2 VAL 61 0.294 9.169 1.709
448 3HG2 VAL 61 3HG2 VAL 61 1.090 7.953 2.708
449 H ALA 62 H ALA 62 0.858 3.689 1.255
450 HA ALA 62 HA ALA 62 1.790 2.302 2.888
451 1HB ALA 62 1HB ALA 62 3.730 4.543 3.171
452 2HB ALA 62 3HB ALA 62 4.023 2.814 2.981
453 3HB ALA 62 2HB ALA 62 3.492 3.774 1.601
454 H LYS 63 H LYS 63 0.891 1.910 4.801
455 HA LYS 63 HA LYS 63 0.187 3.751 6.776
456 1HB LYS 63 1HB LYS 63 -0.404 1.239 6.558
457 2HB LYS 63 2HB LYS 63 1.125 0.951 7.378
458 1HG LYS 63 1HG LYS 63 0.335 2.364 9.255
459 2HG LYS 63 2HG LYS 63 -1.230 2.495 8.451
460 1HD LYS 63 1HD LYS 63 -0.177 -0.239 8.822
461 2HD LYS 63 2HD LYS 63 -0.651 0.619 10.289
462 1HE LYS 63 1HE LYS 63 -2.412 0.336 7.863
463 2HE LYS 63 2HE LYS 63 -2.460 -0.760 9.242
464 1HZ LYS 63 1HZ LYS 63 -2.636 2.008 9.985
465 2HZ LYS 63 2HZ LYS 63 -3.910 1.513 8.989
466 3HZ LYS 63 3HZ LYS 63 -3.611 0.703 10.445
467 H SER 64 H SER 64 3.075 1.863 6.220
468 HA SER 64 HA SER 64 4.611 3.700 7.886
469 1HB SER 64 1HB SER 64 5.357 0.808 7.983
470 2HB SER 64 2HB SER 64 5.586 2.065 9.199
471 HG SER 64 HG SER 64 3.377 1.935 9.674
472 H TYR 65 H TYR 65 6.543 4.233 7.025
473 HA TYR 65 HA TYR 65 7.308 2.836 4.541
474 1HB TYR 65 1HB TYR 65 8.207 5.189 3.932
475 2HB TYR 65 2HB TYR 65 6.486 4.856 3.764
476 HD1 TYR 65 HD1 TYR 65 9.033 6.548 5.811
477 HD2 TYR 65 HD2 TYR 65 4.869 5.997 5.130
478 HE1 TYR 65 HE1 TYR 65 8.545 8.450 7.293
479 HE2 TYR 65 HE2 TYR 65 4.368 7.899 6.608
480 HH TYR 65 HH TYR 65 6.925 9.559 8.397
481 H ASN 66 H ASN 66 9.523 3.091 3.883
482 HA ASN 66 HA ASN 66 11.318 3.725 6.152
483 1HB ASN 66 1HB ASN 66 11.003 1.152 5.144
484 2HB ASN 66 2HB ASN 66 12.457 1.742 4.349
485 2HD2 ASN 66 2HD2 ASN 66 14.309 1.857 5.451
486 1HD2 ASN 66 1HD2 ASN 66 14.484 1.469 7.126
487 H ARG 67 H ARG 67 10.263 5.112 3.989
488 HA ARG 67 HA ARG 67 11.169 5.801 1.753
489 1HB ARG 67 1HB ARG 67 10.542 7.371 3.934
490 2HB ARG 67 2HB ARG 67 12.100 7.992 3.409
491 1HG ARG 67 1HG ARG 67 10.950 7.941 1.047
492 2HG ARG 67 2HG ARG 67 9.477 8.014 2.017
493 1HD ARG 67 1HD ARG 67 11.785 9.945 2.211
494 2HD ARG 67 2HD ARG 67 10.284 10.242 1.338
495 HE ARG 67 HE ARG 67 10.217 9.675 4.218
496 1HH1 ARG 67 1HH1 ARG 67 9.657 11.851 1.548
497 2HH1 ARG 67 2HH1 ARG 67 8.724 12.965 2.489
498 1HH2 ARG 67 1HH2 ARG 67 8.989 11.140 5.457
499 2HH2 ARG 67 2HH2 ARG 67 8.345 12.562 4.707
500 H VAL 68 H VAL 68 12.878 5.631 0.576
501 HA VAL 68 HA VAL 68 15.523 5.846 1.835
502 HB VAL 68 HB VAL 68 16.413 4.146 0.485
503 1HG1 VAL 68 1HG1 VAL 68 14.472 3.493 2.180
504 2HG1 VAL 68 2HG1 VAL 68 13.737 2.884 0.699
505 3HG1 VAL 68 3HG1 VAL 68 15.316 2.288 1.210
506 1HG2 VAL 68 1HG2 VAL 68 14.959 5.115 -1.559
507 2HG2 VAL 68 2HG2 VAL 68 15.748 3.542 -1.598
508 3HG2 VAL 68 3HG2 VAL 68 14.033 3.663 -1.209
509 H THR 69 H THR 69 14.177 8.033 0.890
510 HA THR 69 HA THR 69 14.150 9.100 -1.440
511 HB THR 69 HB THR 69 15.926 10.223 0.725
512 HG1 THR 69 HG1 THR 69 13.553 9.942 1.005
513 1HG2 THR 69 1HG2 THR 69 16.367 11.134 -1.608
514 2HG2 THR 69 2HG2 THR 69 14.736 11.801 -1.526
515 3HG2 THR 69 3HG2 THR 69 15.952 12.299 -0.350
516 H VAL 70 H VAL 70 15.146 8.822 -3.279
517 HA VAL 70 HA VAL 70 18.073 8.504 -3.285
518 HB VAL 70 HB VAL 70 16.633 7.054 -5.397
519 1HG1 VAL 70 1HG1 VAL 70 19.110 6.862 -3.810
520 2HG1 VAL 70 2HG1 VAL 70 18.390 5.326 -4.294
521 3HG1 VAL 70 3HG1 VAL 70 18.825 6.519 -5.516
522 1HG2 VAL 70 1HG2 VAL 70 15.351 6.723 -3.147
523 2HG2 VAL 70 2HG2 VAL 70 15.755 5.331 -4.144
524 3HG2 VAL 70 3HG2 VAL 70 16.733 5.709 -2.732
525 H MET 71 H MET 71 18.494 8.201 -5.902
526 HA MET 71 HA MET 71 19.064 9.529 -7.654
527 1HB MET 71 1HB MET 71 16.125 10.145 -7.744
528 2HB MET 71 2HB MET 71 17.248 10.083 -9.094
529 1HG MET 71 1HG MET 71 17.125 7.607 -7.607
530 2HG MET 71 2HG MET 71 15.569 8.095 -8.278
531 1HE MET 71 1HE MET 71 18.978 9.079 -9.608
532 2HE MET 71 2HE MET 71 19.444 7.392 -9.388
533 3HE MET 71 3HE MET 71 19.252 8.048 -11.014
534 H GLY 72 H GLY 72 16.911 11.744 -8.219
535 1HA GLY 72 1HA GLY 72 17.154 14.033 -8.179
536 2HA GLY 72 2HA GLY 72 18.482 13.847 -7.043
537 H GLY 73 H GLY 73 17.043 12.240 -5.148
538 1HA GLY 73 1HA GLY 73 15.485 14.375 -3.903
539 2HA GLY 73 2HA GLY 73 16.123 12.949 -3.096
540 H PHE 74 H PHE 74 15.176 10.909 -4.670
541 HA PHE 74 HA PHE 74 12.355 11.225 -5.148
542 1HB PHE 74 1HB PHE 74 14.307 8.956 -5.335
543 2HB PHE 74 2HB PHE 74 12.581 8.614 -5.343
544 HD1 PHE 74 HD1 PHE 74 14.427 11.456 -6.866
545 HD2 PHE 74 HD2 PHE 74 12.124 7.938 -7.517
546 HE1 PHE 74 HE1 PHE 74 14.343 11.962 -9.271
547 HE2 PHE 74 HE2 PHE 74 12.037 8.436 -9.926
548 HZ PHE 74 HZ PHE 74 13.149 10.450 -10.805
549 H LYS 75 H LYS 75 10.960 9.275 -4.156
550 HA LYS 75 HA LYS 75 11.618 8.734 -1.393
551 1HB LYS 75 1HB LYS 75 9.196 10.411 -2.058
552 2HB LYS 75 2HB LYS 75 9.605 9.782 -0.470
553 1HG LYS 75 1HG LYS 75 10.514 11.799 -0.159
554 2HG LYS 75 2HG LYS 75 11.865 11.145 -1.083
555 1HD LYS 75 1HD LYS 75 11.519 12.988 -2.352
556 2HD LYS 75 2HD LYS 75 10.283 11.972 -3.096
557 1HE LYS 75 1HE LYS 75 9.257 14.055 -2.622
558 2HE LYS 75 2HE LYS 75 8.655 12.907 -1.427
559 1HZ LYS 75 1HZ LYS 75 11.022 14.275 -0.565
560 2HZ LYS 75 2HZ LYS 75 9.746 15.336 -0.893
561 3HZ LYS 75 3HZ LYS 75 9.539 14.085 0.225
562 H VAL 76 H VAL 76 11.212 6.634 -1.324
563 HA VAL 76 HA VAL 76 8.778 5.582 -2.570
564 HB VAL 76 HB VAL 76 9.920 3.273 -2.217
565 1HG1 VAL 76 1HG1 VAL 76 10.183 5.180 -4.272
566 2HG1 VAL 76 2HG1 VAL 76 11.838 4.675 -3.936
567 3HG1 VAL 76 3HG1 VAL 76 10.621 3.477 -4.348
568 1HG2 VAL 76 1HG2 VAL 76 11.645 5.022 -0.767
569 2HG2 VAL 76 2HG2 VAL 76 11.819 3.289 -1.015
570 3HG2 VAL 76 3HG2 VAL 76 12.578 4.421 -2.133
571 H GLU 77 H GLU 77 9.560 6.823 0.077
572 HA GLU 77 HA GLU 77 9.361 6.299 2.367
573 1HB GLU 77 1HB GLU 77 6.881 6.563 0.929
574 2HB GLU 77 2HB GLU 77 6.666 5.400 2.225
575 1HG GLU 77 1HG GLU 77 6.188 7.221 3.433
576 2HG GLU 77 2HG GLU 77 7.942 7.362 3.552
577 H ASN 78 H ASN 78 10.547 4.293 0.980
578 HA ASN 78 HA ASN 78 10.339 1.939 0.511
579 1HB ASN 78 1HB ASN 78 12.261 2.381 1.957
580 2HB ASN 78 2HB ASN 78 11.211 2.418 3.365
581 H HIS 79 H HIS 79 7.903 2.306 0.566
582 HA HIS 79 HA HIS 79 6.283 2.104 2.624
583 1HB HIS 79 1HB HIS 79 5.929 0.661 -0.004
584 2HB HIS 79 2HB HIS 79 4.637 0.857 1.188
585 HD1 HIS 79 HD1 HIS 79 3.590 2.359 -0.949
586 HD2 HIS 79 HD2 HIS 79 6.783 3.867 1.206
587 HE1 HIS 79 HE1 HIS 79 3.656 4.825 -1.460
588 H THR 80 H THR 80 6.539 1.115 4.350
589 HA THR 80 HA THR 80 7.232 -1.735 4.343
590 HB THR 80 HB THR 80 8.119 -1.426 6.508
591 HG1 THR 80 HG1 THR 80 7.322 1.205 6.813
592 1HG2 THR 80 1HG2 THR 80 9.348 -0.254 4.611
593 2HG2 THR 80 2HG2 THR 80 8.689 1.246 5.258
594 3HG2 THR 80 3HG2 THR 80 9.751 0.247 6.251
595 H ALA 81 H ALA 81 4.545 0.184 4.543
596 HA ALA 81 HA ALA 81 2.847 -1.952 5.302
597 1HB ALA 81 1HB ALA 81 3.432 -1.400 7.560
598 2HB ALA 81 3HB ALA 81 3.195 0.321 7.259
599 3HB ALA 81 2HB ALA 81 1.811 -0.772 7.259
600 H CYS 82 H CYS 82 0.866 -1.596 4.363
601 HA CYS 82 HA CYS 82 0.428 1.115 3.283
602 1HB CYS 82 1HB CYS 82 -0.669 -1.442 2.101
603 2HB CYS 82 2HB CYS 82 -0.634 0.157 1.367
604 H HIS 83 H HIS 83 -1.777 1.851 3.104
605 HA HIS 83 HA HIS 83 -3.890 0.387 4.375
606 1HB HIS 83 1HB HIS 83 -4.212 1.618 6.312
607 2HB HIS 83 2HB HIS 83 -2.459 1.497 6.243
608 HD1 HIS 83 HD1 HIS 83 -4.701 3.827 7.284
609 HD2 HIS 83 HD2 HIS 83 -1.681 4.027 4.437
610 HE1 HIS 83 HE1 HIS 83 -4.152 6.270 7.059
611 HE2 HIS 83 HE2 HIS 83 -2.317 6.369 5.332
612 H CYS 84 H CYS 84 -5.555 0.768 3.135
613 HA CYS 84 HA CYS 84 -5.717 3.019 1.377
614 1HB CYS 84 1HB CYS 84 -6.750 0.512 1.322
615 2HB CYS 84 2HB CYS 84 -8.157 1.418 1.868
616 H SER 85 H SER 85 -6.917 4.847 1.533
617 HA SER 85 HA SER 85 -9.154 5.409 2.943
618 1HB SER 85 1HB SER 85 -8.216 4.759 5.034
619 2HB SER 85 2HB SER 85 -6.733 5.661 4.730
620 HG SER 85 HG SER 85 -7.733 7.141 5.853
621 H THR 86 H THR 86 -8.730 7.903 4.071
622 HA THR 86 HA THR 86 -8.728 9.607 1.919
623 HB THR 86 HB THR 86 -8.161 11.414 3.607
624 HG1 THR 86 HG1 THR 86 -8.045 9.153 5.310
625 1HG2 THR 86 1HG2 THR 86 -10.452 9.649 3.621
626 2HG2 THR 86 2HG2 THR 86 -10.164 10.393 5.194
627 3HG2 THR 86 3HG2 THR 86 -10.371 11.404 3.764
628 H CYS 87 H CYS 87 -7.060 11.602 1.942
629 HA CYS 87 HA CYS 87 -4.303 10.757 2.146
630 1HB CYS 87 1HB CYS 87 -5.647 11.221 -0.508
631 2HB CYS 87 2HB CYS 87 -3.916 11.464 -0.302
632 H TYR 88 H TYR 88 -4.007 12.460 3.552
633 HA TYR 88 HA TYR 88 -4.357 15.160 2.420
634 1HB TYR 88 1HB TYR 88 -5.605 14.436 4.586
635 2HB TYR 88 2HB TYR 88 -4.033 14.614 5.358
636 HD1 TYR 88 HD1 TYR 88 -6.217 16.547 3.012
637 HD2 TYR 88 HD2 TYR 88 -3.617 16.631 6.378
638 HE1 TYR 88 HE1 TYR 88 -6.612 18.963 3.249
639 HE2 TYR 88 HE2 TYR 88 -4.002 19.047 6.624
640 HH TYR 88 HH TYR 88 -6.448 20.659 5.371
641 H TYR 89 H TYR 89 -2.615 16.438 2.188
642 HA TYR 89 HA TYR 89 -0.187 15.951 3.686
643 1HB TYR 89 1HB TYR 89 -0.177 14.426 1.613
644 2HB TYR 89 2HB TYR 89 0.026 15.906 0.682
645 HD1 TYR 89 HD1 TYR 89 1.872 17.458 2.363
646 HD2 TYR 89 HD2 TYR 89 1.846 13.299 1.460
647 HE1 TYR 89 HE1 TYR 89 4.295 17.363 2.759
648 HE2 TYR 89 HE2 TYR 89 4.270 13.194 1.855
649 HH TYR 89 HH TYR 89 5.967 15.407 3.476
650 H HIS 90 H HIS 90 -0.743 17.539 0.551
651 HA HIS 90 HA HIS 90 -1.112 20.133 1.490
652 1HB HIS 90 1HB HIS 90 1.176 19.776 2.431
653 2HB HIS 90 2HB HIS 90 1.779 19.594 0.788
654 HD1 HIS 90 HD1 HIS 90 1.502 21.776 -0.768
655 HD2 HIS 90 HD2 HIS 90 1.034 22.351 3.321
656 HE1 HIS 90 HE1 HIS 90 1.734 24.254 -0.406
657 HE2 HIS 90 HE2 HIS 90 1.345 24.589 2.061
658 H LYS 91 H LYS 91 -0.935 21.764 -0.193
659 HA LYS 91 HA LYS 91 -1.332 20.582 -2.835
660 1HB LYS 91 1HB LYS 91 -2.822 22.393 -1.521
661 2HB LYS 91 2HB LYS 91 -1.753 23.486 -2.389
662 1HG LYS 91 1HG LYS 91 -2.481 21.796 -4.377
663 2HG LYS 91 2HG LYS 91 -3.934 21.792 -3.375
664 1HD LYS 91 1HD LYS 91 -3.998 24.238 -3.462
665 2HD LYS 91 2HD LYS 91 -2.545 24.241 -4.465
666 1HE LYS 91 1HE LYS 91 -4.457 24.505 -5.891
667 2HE LYS 91 2HE LYS 91 -3.780 22.898 -6.153
668 1HZ LYS 91 1HZ LYS 91 -5.967 23.277 -4.218
669 2HZ LYS 91 2HZ LYS 91 -6.314 23.171 -5.870
670 3HZ LYS 91 3HZ LYS 91 -5.537 21.890 -5.087
671 H SER 92 H SER 92 0.108 20.762 -4.427
672 HA SER 92 HA SER 92 1.922 21.389 -5.642
673 1HB SER 92 1HB SER 92 1.134 23.569 -5.928
674 2HB SER 92 2HB SER 92 1.281 23.953 -4.214
675 HG SER 92 HG SER 92 2.941 24.942 -5.400
No H/Q in entry = 675
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 -4.753 2.417 -27.722
2 H2 ALA 1 H2 ALA 1 -5.050 2.571 -29.402
3 H3 ALA 1 H3 ALA 1 -4.605 3.949 -28.481
4 HA ALA 1 HA ALA 1 -6.725 4.366 -28.368
5 1HB ALA 1 2HB ALA 1 -6.809 1.911 -29.786
6 2HB ALA 1 1HB ALA 1 -8.014 3.197 -29.742
7 3HB ALA 1 3HB ALA 1 -8.084 1.882 -28.569
8 HA PRO 2 HA PRO 2 -8.211 1.031 -24.928
9 1HB PRO 2 1HB PRO 2 -5.527 0.049 -24.290
10 2HB PRO 2 2HB PRO 2 -7.019 -0.857 -24.534
11 1HG PRO 2 1HG PRO 2 -4.854 -0.431 -26.386
12 2HG PRO 2 2HG PRO 2 -6.299 -1.432 -26.591
13 1HD PRO 2 1HD PRO 2 -5.764 0.881 -28.004
14 2HD PRO 2 2HD PRO 2 -7.384 0.192 -27.771
15 H ASP 3 H ASP 3 -8.441 2.025 -23.020
16 HA ASP 3 HA ASP 3 -6.344 3.909 -22.187
17 1HB ASP 3 1HB ASP 3 -9.320 3.861 -21.698
18 2HB ASP 3 2HB ASP 3 -8.233 4.903 -20.784
19 H VAL 4 H VAL 4 -8.759 1.690 -20.771
20 HA VAL 4 HA VAL 4 -7.442 1.653 -18.231
21 HB VAL 4 HB VAL 4 -9.005 -0.427 -17.927
22 1HG1 VAL 4 1HG1 VAL 4 -9.192 2.071 -17.145
23 2HG1 VAL 4 2HG1 VAL 4 -10.498 2.120 -18.330
24 3HG1 VAL 4 3HG1 VAL 4 -10.566 0.973 -16.992
25 1HG2 VAL 4 1HG2 VAL 4 -9.387 -0.221 -20.559
26 2HG2 VAL 4 2HG2 VAL 4 -10.627 -0.830 -19.464
27 3HG2 VAL 4 3HG2 VAL 4 -10.680 0.846 -20.011
28 H GLN 5 H GLN 5 -6.384 -0.125 -17.247
29 HA GLN 5 HA GLN 5 -5.421 -2.223 -19.057
30 1HB GLN 5 1HB GLN 5 -3.412 -1.135 -17.182
31 2HB GLN 5 2HB GLN 5 -3.213 -1.736 -18.822
32 1HG GLN 5 1HG GLN 5 -4.718 0.722 -18.804
33 2HG GLN 5 2HG GLN 5 -3.175 0.913 -17.973
34 2HE2 GLN 5 2HE2 GLN 5 -3.769 -1.345 -20.574
35 1HE2 GLN 5 1HE2 GLN 5 -2.754 -0.572 -21.739
36 H ASP 6 H ASP 6 -3.501 -3.170 -17.110
37 HA ASP 6 HA ASP 6 -5.055 -4.991 -15.703
38 1HB ASP 6 1HB ASP 6 -2.332 -4.085 -14.775
39 2HB ASP 6 2HB ASP 6 -3.065 -5.677 -14.608
40 H CYS 7 H CYS 7 -4.318 -5.078 -13.098
41 HA CYS 7 HA CYS 7 -4.520 -2.705 -11.634
42 1HB CYS 7 1HB CYS 7 -6.729 -2.393 -12.466
43 2HB CYS 7 2HB CYS 7 -7.141 -4.085 -12.210
44 HA PRO 8 HA PRO 8 -3.552 -6.594 -9.301
45 1HB PRO 8 1HB PRO 8 -1.165 -5.786 -8.339
46 2HB PRO 8 2HB PRO 8 -1.342 -6.481 -9.956
47 1HG PRO 8 1HG PRO 8 -1.133 -3.607 -9.142
48 2HG PRO 8 2HG PRO 8 -0.341 -4.447 -10.487
49 1HD PRO 8 1HD PRO 8 -2.566 -2.907 -10.797
50 2HD PRO 8 2HD PRO 8 -2.199 -4.299 -11.835
51 H GLU 9 H GLU 9 -3.419 -6.912 -7.016
52 HA GLU 9 HA GLU 9 -5.007 -5.307 -5.454
53 1HB GLU 9 1HB GLU 9 -4.091 -7.678 -4.999
54 2HB GLU 9 2HB GLU 9 -2.723 -6.856 -4.260
55 1HG GLU 9 1HG GLU 9 -3.894 -6.861 -2.379
56 2HG GLU 9 2HG GLU 9 -4.907 -5.622 -3.119
57 H CYS 10 H CYS 10 -4.789 -3.374 -4.576
58 HA CYS 10 HA CYS 10 -2.524 -1.778 -4.900
59 1HB CYS 10 1HB CYS 10 -4.383 -0.489 -4.571
60 2HB CYS 10 2HB CYS 10 -5.054 -1.566 -3.352
61 H THR 11 H THR 11 -0.680 -1.619 -3.841
62 HA THR 11 HA THR 11 -0.285 -1.725 -1.108
63 HB THR 11 HB THR 11 -0.891 -4.086 -1.201
64 HG1 THR 11 HG1 THR 11 1.000 -4.895 -0.252
65 1HG2 THR 11 1HG2 THR 11 0.438 -4.131 -3.639
66 2HG2 THR 11 2HG2 THR 11 1.436 -5.094 -2.550
67 3HG2 THR 11 3HG2 THR 11 -0.265 -5.501 -2.780
68 H LEU 12 H LEU 12 2.190 -2.547 -0.742
69 HA LEU 12 HA LEU 12 3.681 -0.702 -2.359
70 1HB LEU 12 1HB LEU 12 4.457 -2.496 -0.079
71 2HB LEU 12 2HB LEU 12 5.581 -1.421 -0.892
72 HG LEU 12 HG LEU 12 4.291 0.514 -0.216
73 1HD1 LEU 12 1HD1 LEU 12 2.418 -1.566 0.883
74 2HD1 LEU 12 2HD1 LEU 12 2.410 0.105 1.446
75 3HD1 LEU 12 3HD1 LEU 12 2.069 -0.257 -0.245
76 1HD2 LEU 12 1HD2 LEU 12 4.961 -1.444 1.979
77 2HD2 LEU 12 2HD2 LEU 12 5.977 -0.160 1.328
78 3HD2 LEU 12 3HD2 LEU 12 4.545 0.244 2.275
79 H GLN 13 H GLN 13 5.135 -1.095 -3.874
80 HA GLN 13 HA GLN 13 5.557 -3.908 -4.606
81 1HB GLN 13 1HB GLN 13 5.130 -1.487 -6.251
82 2HB GLN 13 2HB GLN 13 6.119 -2.792 -6.891
83 1HG GLN 13 1HG GLN 13 4.196 -4.336 -6.387
84 2HG GLN 13 2HG GLN 13 3.230 -2.894 -6.079
85 2HE2 GLN 13 2HE2 GLN 13 2.277 -4.457 -7.950
86 1HE2 GLN 13 1HE2 GLN 13 2.563 -3.834 -9.536
87 H GLU 14 H GLU 14 7.178 -3.355 -2.886
88 HA GLU 14 HA GLU 14 9.302 -2.264 -2.398
89 1HB GLU 14 1HB GLU 14 9.163 -4.762 -2.206
90 2HB GLU 14 2HB GLU 14 9.901 -4.846 -3.800
91 1HG GLU 14 1HG GLU 14 11.785 -3.436 -2.820
92 2HG GLU 14 2HG GLU 14 11.093 -3.825 -1.243
93 H ASN 15 H ASN 15 10.547 -0.885 -3.166
94 HA ASN 15 HA ASN 15 10.752 -0.007 -5.743
95 1HB ASN 15 1HB ASN 15 11.725 0.739 -3.301
96 2HB ASN 15 2HB ASN 15 13.183 0.434 -4.234
97 2HD2 ASN 15 2HD2 ASN 15 13.104 2.842 -3.579
98 1HD2 ASN 15 1HD2 ASN 15 12.492 3.904 -4.792
99 HA PRO 16 HA PRO 16 13.455 -3.227 -7.369
100 1HB PRO 16 1HB PRO 16 13.004 -2.743 -9.972
101 2HB PRO 16 2HB PRO 16 11.806 -3.565 -8.964
102 1HG PRO 16 1HG PRO 16 11.887 -0.723 -9.881
103 2HG PRO 16 2HG PRO 16 10.499 -1.814 -9.725
104 1HD PRO 16 1HD PRO 16 11.193 0.124 -7.879
105 2HD PRO 16 2HD PRO 16 10.199 -1.300 -7.524
106 H PHE 17 H PHE 17 14.043 -0.226 -6.793
107 HA PHE 17 HA PHE 17 16.429 -0.039 -8.510
108 1HB PHE 17 1HB PHE 17 14.932 1.707 -9.194
109 2HB PHE 17 2HB PHE 17 14.590 2.145 -7.523
110 HD1 PHE 17 HD1 PHE 17 16.385 3.203 -6.147
111 HD2 PHE 17 HD2 PHE 17 16.760 2.638 -10.348
112 HE1 PHE 17 HE1 PHE 17 18.183 4.881 -6.206
113 HE2 PHE 17 HE2 PHE 17 18.561 4.314 -10.415
114 HZ PHE 17 HZ PHE 17 19.274 5.437 -8.344
115 H PHE 18 H PHE 18 14.999 1.187 -5.511
116 HA PHE 18 HA PHE 18 17.510 1.732 -4.274
117 1HB PHE 18 1HB PHE 18 14.831 2.365 -3.795
118 2HB PHE 18 2HB PHE 18 15.317 1.386 -2.419
119 HD1 PHE 18 HD1 PHE 18 16.416 4.309 -4.432
120 HD2 PHE 18 HD2 PHE 18 16.390 2.385 -0.639
121 HE1 PHE 18 HE1 PHE 18 17.536 6.265 -3.436
122 HE2 PHE 18 HE2 PHE 18 17.507 4.336 0.367
123 HZ PHE 18 HZ PHE 18 18.079 6.281 -1.033
124 H SER 19 H SER 19 15.650 -1.086 -4.704
125 HA SER 19 HA SER 19 16.016 -2.559 -2.415
126 1HB SER 19 1HB SER 19 15.507 -4.429 -3.677
127 2HB SER 19 2HB SER 19 14.936 -3.156 -4.755
128 HG SER 19 HG SER 19 16.207 -4.172 -6.109
129 H GLN 20 H GLN 20 17.990 -2.012 -1.430
130 HA GLN 20 HA GLN 20 20.389 -3.083 -2.765
131 1HB GLN 20 1HB GLN 20 20.426 -1.107 -0.492
132 2HB GLN 20 2HB GLN 20 21.718 -1.498 -1.620
133 1HG GLN 20 1HG GLN 20 19.743 -0.593 -3.281
134 2HG GLN 20 2HG GLN 20 19.537 0.420 -1.853
135 2HE2 GLN 20 2HE2 GLN 20 20.475 2.294 -2.203
136 1HE2 GLN 20 1HE2 GLN 20 22.036 2.538 -2.901
137 HA PRO 21 HA PRO 21 21.113 -6.184 0.252
138 1HB PRO 21 1HB PRO 21 23.763 -4.948 0.802
139 2HB PRO 21 2HB PRO 21 23.371 -6.602 0.321
140 1HG PRO 21 1HG PRO 21 24.430 -4.891 -1.425
141 2HG PRO 21 2HG PRO 21 23.177 -6.043 -1.922
142 1HD PRO 21 1HD PRO 21 22.953 -3.114 -1.386
143 2HD PRO 21 2HD PRO 21 22.137 -4.104 -2.614
144 H GLY 22 H GLY 22 19.486 -4.654 1.485
145 1HA GLY 22 1HA GLY 22 20.751 -3.442 3.833
146 2HA GLY 22 2HA GLY 22 19.638 -4.774 4.095
147 H ALA 23 H ALA 23 18.635 -3.054 1.419
148 HA ALA 23 HA ALA 23 16.450 -1.909 2.923
149 1HB ALA 23 3HB ALA 23 17.638 0.022 3.178
150 2HB ALA 23 1HB ALA 23 18.600 -0.247 1.725
151 3HB ALA 23 2HB ALA 23 16.939 0.328 1.587
152 HA PRO 24 HA PRO 24 14.719 -3.024 -1.015
153 1HB PRO 24 1HB PRO 24 12.783 -4.505 0.067
154 2HB PRO 24 2HB PRO 24 14.458 -5.068 0.079
155 1HG PRO 24 1HG PRO 24 12.795 -4.100 2.310
156 2HG PRO 24 2HG PRO 24 14.251 -5.105 2.348
157 1HD PRO 24 1HD PRO 24 13.997 -2.238 2.721
158 2HD PRO 24 2HD PRO 24 15.412 -3.280 2.972
159 H ILE 25 H ILE 25 14.294 -0.551 -0.758
160 HA ILE 25 HA ILE 25 12.192 0.684 0.283
161 HB ILE 25 HB ILE 25 13.366 0.958 -2.457
162 1HG1 ILE 25 1HG1 ILE 25 14.933 1.228 -0.682
163 2HG1 ILE 25 2HG1 ILE 25 14.501 2.843 -1.242
164 1HG2 ILE 25 1HG2 ILE 25 11.342 2.595 -0.973
165 2HG2 ILE 25 2HG2 ILE 25 12.490 3.389 -2.045
166 3HG2 ILE 25 3HG2 ILE 25 11.379 2.183 -2.686
167 1HD1 ILE 25 1HD1 ILE 25 12.675 2.659 0.609
168 2HD1 ILE 25 2HD1 ILE 25 13.777 1.454 1.272
169 3HD1 ILE 25 3HD1 ILE 25 14.332 3.106 1.015
170 H LEU 26 H LEU 26 10.386 1.680 -1.358
171 HA LEU 26 HA LEU 26 8.869 -0.491 -2.546
172 1HB LEU 26 1HB LEU 26 7.325 1.022 -0.669
173 2HB LEU 26 2HB LEU 26 7.513 -0.722 -0.820
174 HG LEU 26 HG LEU 26 9.755 0.857 0.288
175 1HD1 LEU 26 1HD1 LEU 26 7.247 1.186 1.372
176 2HD1 LEU 26 2HD1 LEU 26 7.929 -0.114 2.346
177 3HD1 LEU 26 3HD1 LEU 26 8.777 1.424 2.218
178 1HD2 LEU 26 1HD2 LEU 26 9.254 -1.828 -0.108
179 2HD2 LEU 26 2HD2 LEU 26 10.523 -1.140 0.906
180 3HD2 LEU 26 3HD2 LEU 26 8.982 -1.610 1.621
181 H GLN 27 H GLN 27 6.471 0.606 -2.356
182 HA GLN 27 HA GLN 27 5.854 3.146 -2.980
183 1HB GLN 27 1HB GLN 27 7.281 3.552 -4.711
184 2HB GLN 27 2HB GLN 27 7.308 1.874 -5.232
185 1HG GLN 27 1HG GLN 27 4.782 2.470 -5.871
186 2HG GLN 27 2HG GLN 27 5.493 4.076 -6.000
187 2HE2 GLN 27 2HE2 GLN 27 5.433 0.850 -7.273
188 1HE2 GLN 27 1HE2 GLN 27 6.314 1.183 -8.721
189 H CYS 28 H CYS 28 3.858 2.671 -2.355
190 HA CYS 28 HA CYS 28 2.354 0.447 -2.756
191 1HB CYS 28 1HB CYS 28 1.887 2.966 -1.667
192 2HB CYS 28 2HB CYS 28 0.668 2.811 -2.924
193 H MET 29 H MET 29 2.148 -0.534 -4.692
194 HA MET 29 HA MET 29 1.080 1.082 -6.916
195 1HB MET 29 1HB MET 29 3.348 0.342 -7.408
196 2HB MET 29 2HB MET 29 2.907 -1.322 -7.051
197 1HG MET 29 1HG MET 29 2.563 -1.534 -9.234
198 2HG MET 29 2HG MET 29 1.080 -0.621 -8.966
199 1HE MET 29 1HE MET 29 0.460 1.184 -10.288
200 2HE MET 29 2HE MET 29 1.459 1.985 -11.500
201 3HE MET 29 3HE MET 29 1.129 0.258 -11.632
202 H GLY 30 H GLY 30 -0.660 0.294 -8.040
203 1HA GLY 30 1HA GLY 30 -1.930 -2.097 -6.874
204 2HA GLY 30 2HA GLY 30 -1.810 -1.918 -8.618
205 H CYS 31 H CYS 31 -4.053 -1.953 -6.490
206 HA CYS 31 HA CYS 31 -5.347 0.593 -6.849
207 1HB CYS 31 1HB CYS 31 -7.328 -1.036 -7.878
208 2HB CYS 31 2HB CYS 31 -6.337 0.090 -8.801
209 H CYS 32 H CYS 32 -6.843 0.949 -5.300
210 HA CYS 32 HA CYS 32 -7.066 -0.942 -3.173
211 1HB CYS 32 1HB CYS 32 -7.011 1.478 -2.758
212 2HB CYS 32 2HB CYS 32 -8.538 1.661 -3.614
213 H PHE 33 H PHE 33 -8.000 -2.671 -4.553
214 HA PHE 33 HA PHE 33 -10.932 -2.406 -4.688
215 1HB PHE 33 1HB PHE 33 -11.002 -3.755 -6.630
216 2HB PHE 33 2HB PHE 33 -9.697 -2.608 -6.914
217 HD1 PHE 33 HD1 PHE 33 -7.361 -3.333 -6.804
218 HD2 PHE 33 HD2 PHE 33 -10.578 -6.092 -6.418
219 HE1 PHE 33 HE1 PHE 33 -5.811 -5.195 -7.237
220 HE2 PHE 33 HE2 PHE 33 -9.034 -7.959 -6.848
221 HZ PHE 33 HZ PHE 33 -6.647 -7.511 -7.259
222 H SER 34 H SER 34 -11.728 -4.935 -5.009
223 HA SER 34 HA SER 34 -10.408 -6.878 -3.453
224 1HB SER 34 1HB SER 34 -11.055 -6.465 -1.346
225 2HB SER 34 2HB SER 34 -11.689 -4.915 -1.899
226 HG SER 34 HG SER 34 -13.276 -6.194 -0.837
227 H ARG 35 H ARG 35 -11.507 -8.867 -3.423
228 HA ARG 35 HA ARG 35 -13.015 -9.577 -5.550
229 1HB ARG 35 1HB ARG 35 -12.890 -10.691 -2.773
230 2HB ARG 35 2HB ARG 35 -14.012 -11.382 -3.938
231 1HG ARG 35 1HG ARG 35 -11.137 -11.039 -4.657
232 2HG ARG 35 2HG ARG 35 -11.651 -12.403 -3.663
233 1HD ARG 35 1HD ARG 35 -13.490 -12.447 -5.681
234 2HD ARG 35 2HD ARG 35 -12.042 -11.895 -6.522
235 HE ARG 35 HE ARG 35 -11.036 -13.947 -6.108
236 1HH1 ARG 35 1HH1 ARG 35 -14.137 -13.740 -4.534
237 2HH1 ARG 35 2HH1 ARG 35 -14.231 -15.439 -4.213
238 1HH2 ARG 35 1HH2 ARG 35 -11.149 -16.187 -5.682
239 2HH2 ARG 35 2HH2 ARG 35 -12.534 -16.830 -4.863
240 H ALA 36 H ALA 36 -15.046 -9.360 -6.250
241 HA ALA 36 HA ALA 36 -16.823 -7.599 -4.864
242 1HB ALA 36 1HB ALA 36 -17.165 -9.205 -7.390
243 2HB ALA 36 3HB ALA 36 -18.360 -8.065 -6.772
244 3HB ALA 36 2HB ALA 36 -16.762 -7.494 -7.252
245 H TYR 37 H TYR 37 -18.121 -8.170 -3.259
246 HA TYR 37 HA TYR 37 -20.132 -9.967 -3.247
247 1HB TYR 37 1HB TYR 37 -18.930 -11.915 -3.550
248 2HB TYR 37 2HB TYR 37 -17.530 -11.315 -2.670
249 HD1 TYR 37 HD1 TYR 37 -20.960 -12.650 -2.262
250 HD2 TYR 37 HD2 TYR 37 -17.250 -11.785 -0.367
251 HE1 TYR 37 HE1 TYR 37 -21.691 -13.898 -0.272
252 HE2 TYR 37 HE2 TYR 37 -17.970 -13.032 1.627
253 HH TYR 37 HH TYR 37 -20.760 -13.654 2.500
254 HA PRO 38 HA PRO 38 -20.584 -7.552 0.471
255 1HB PRO 38 1HB PRO 38 -22.743 -9.058 1.402
256 2HB PRO 38 2HB PRO 38 -22.849 -7.638 0.360
257 1HG PRO 38 1HG PRO 38 -22.926 -10.532 -0.361
258 2HG PRO 38 2HG PRO 38 -23.827 -9.174 -1.060
259 1HD PRO 38 1HD PRO 38 -21.731 -10.246 -2.330
260 2HD PRO 38 2HD PRO 38 -22.030 -8.494 -2.369
261 H THR 39 H THR 39 -20.789 -8.016 2.850
262 HA THR 39 HA THR 39 -19.525 -8.834 4.609
263 HB THR 39 HB THR 39 -20.388 -11.024 5.342
264 HG1 THR 39 HG1 THR 39 -21.058 -11.202 2.667
265 1HG2 THR 39 1HG2 THR 39 -22.252 -8.939 4.367
266 2HG2 THR 39 2HG2 THR 39 -22.926 -10.479 4.898
267 3HG2 THR 39 3HG2 THR 39 -21.946 -9.516 6.004
268 HA PRO 40 HA PRO 40 -16.393 -11.015 1.901
269 1HB PRO 40 1HB PRO 40 -14.414 -9.196 2.193
270 2HB PRO 40 2HB PRO 40 -15.665 -9.050 0.952
271 1HG PRO 40 1HG PRO 40 -15.484 -7.706 3.625
272 2HG PRO 40 2HG PRO 40 -15.921 -7.011 2.052
273 1HD PRO 40 1HD PRO 40 -17.772 -7.712 3.899
274 2HD PRO 40 2HD PRO 40 -18.078 -7.819 2.153
275 H LEU 41 H LEU 41 -14.116 -11.609 2.536
276 HA LEU 41 HA LEU 41 -14.110 -12.784 5.083
277 1HB LEU 41 1HB LEU 41 -12.140 -12.449 2.884
278 2HB LEU 41 2HB LEU 41 -11.516 -12.895 4.462
279 HG LEU 41 HG LEU 41 -11.862 -14.882 3.131
280 1HD1 LEU 41 1HD1 LEU 41 -12.293 -14.996 5.551
281 2HD1 LEU 41 2HD1 LEU 41 -13.997 -14.654 5.249
282 3HD1 LEU 41 3HD1 LEU 41 -13.275 -16.144 4.640
283 1HD2 LEU 41 1HD2 LEU 41 -13.719 -13.752 1.761
284 2HD2 LEU 41 2HD2 LEU 41 -13.869 -15.476 2.100
285 3HD2 LEU 41 3HD2 LEU 41 -14.804 -14.309 3.034
286 H ARG 42 H ARG 42 -13.741 -11.922 7.004
287 HA ARG 42 HA ARG 42 -11.715 -9.872 7.342
288 1HB ARG 42 1HB ARG 42 -14.642 -9.383 7.688
289 2HB ARG 42 2HB ARG 42 -13.517 -8.592 8.785
290 1HG ARG 42 1HG ARG 42 -12.843 -8.380 5.932
291 2HG ARG 42 2HG ARG 42 -14.325 -7.560 6.428
292 1HD ARG 42 1HD ARG 42 -12.425 -6.965 8.399
293 2HD ARG 42 2HD ARG 42 -11.584 -6.802 6.857
294 HE ARG 42 HE ARG 42 -14.173 -5.489 7.096
295 1HH1 ARG 42 1HH1 ARG 42 -10.702 -5.228 7.161
296 2HH1 ARG 42 2HH1 ARG 42 -10.695 -3.517 6.890
297 1HH2 ARG 42 1HH2 ARG 42 -14.176 -3.234 6.736
298 2HH2 ARG 42 2HH2 ARG 42 -12.670 -2.384 6.649
299 H SER 43 H SER 43 -10.901 -11.887 8.380
300 HA SER 43 HA SER 43 -11.226 -11.713 11.207
301 1HB SER 43 1HB SER 43 -13.205 -13.047 10.819
302 2HB SER 43 2HB SER 43 -12.302 -14.169 9.802
303 HG SER 43 HG SER 43 -12.013 -15.219 11.597
304 H LYS 44 H LYS 44 -10.554 -14.804 9.744
305 HA LYS 44 HA LYS 44 -8.033 -15.079 10.884
306 1HB LYS 44 1HB LYS 44 -8.631 -17.137 10.189
307 2HB LYS 44 2HB LYS 44 -9.641 -16.504 8.899
308 1HG LYS 44 1HG LYS 44 -7.803 -17.928 8.090
309 2HG LYS 44 2HG LYS 44 -7.740 -16.289 7.443
310 1HD LYS 44 1HD LYS 44 -6.236 -16.135 9.757
311 2HD LYS 44 2HD LYS 44 -5.822 -17.720 9.099
312 1HE LYS 44 1HE LYS 44 -5.873 -15.338 7.298
313 2HE LYS 44 2HE LYS 44 -4.491 -15.591 8.365
314 1HZ LYS 44 1HZ LYS 44 -4.214 -17.800 7.386
315 2HZ LYS 44 2HZ LYS 44 -5.504 -17.506 6.333
316 3HZ LYS 44 3HZ LYS 44 -4.093 -16.583 6.216
317 H LYS 45 H LYS 45 -6.467 -13.606 10.578
318 HA LYS 45 HA LYS 45 -5.030 -13.461 8.184
319 1HB LYS 45 1HB LYS 45 -6.861 -12.234 7.245
320 2HB LYS 45 2HB LYS 45 -6.958 -11.192 8.658
321 1HG LYS 45 1HG LYS 45 -4.658 -10.361 8.070
322 2HG LYS 45 2HG LYS 45 -4.819 -11.239 6.548
323 1HD LYS 45 1HD LYS 45 -5.461 -8.732 6.623
324 2HD LYS 45 2HD LYS 45 -6.525 -9.862 5.786
325 1HE LYS 45 1HE LYS 45 -8.159 -9.723 7.384
326 2HE LYS 45 2HE LYS 45 -7.016 -9.351 8.673
327 1HZ LYS 45 1HZ LYS 45 -6.728 -7.152 7.367
328 2HZ LYS 45 2HZ LYS 45 -8.227 -7.545 6.691
329 3HZ LYS 45 3HZ LYS 45 -8.078 -7.353 8.366
330 H THR 46 H THR 46 -5.915 -12.011 11.233
331 HA THR 46 HA THR 46 -3.345 -11.857 12.238
332 HB THR 46 HB THR 46 -2.498 -10.142 11.029
333 HG1 THR 46 HG1 THR 46 -3.122 -8.061 11.951
334 1HG2 THR 46 1HG2 THR 46 -5.198 -9.854 10.110
335 2HG2 THR 46 2HG2 THR 46 -4.474 -8.276 10.416
336 3HG2 THR 46 3HG2 THR 46 -3.685 -9.409 9.319
337 H MET 47 H MET 47 -6.531 -10.391 12.134
338 HA MET 47 HA MET 47 -6.917 -10.806 14.933
339 1HB MET 47 1HB MET 47 -5.747 -8.352 14.200
340 2HB MET 47 2HB MET 47 -7.431 -7.994 14.556
341 1HG MET 47 1HG MET 47 -5.940 -9.695 16.474
342 2HG MET 47 2HG MET 47 -5.561 -7.974 16.420
343 1HE MET 47 1HE MET 47 -6.374 -9.142 18.990
344 2HE MET 47 2HE MET 47 -8.059 -9.016 19.494
345 3HE MET 47 3HE MET 47 -7.539 -10.369 18.488
346 H LEU 48 H LEU 48 -9.103 -9.899 15.631
347 HA LEU 48 HA LEU 48 -11.003 -10.497 13.525
348 1HB LEU 48 1HB LEU 48 -11.042 -11.239 16.043
349 2HB LEU 48 2HB LEU 48 -11.810 -9.681 16.282
350 HG LEU 48 HG LEU 48 -12.913 -12.154 15.215
351 1HD1 LEU 48 1HD1 LEU 48 -13.694 -9.841 16.782
352 2HD1 LEU 48 2HD1 LEU 48 -14.944 -10.344 15.646
353 3HD1 LEU 48 3HD1 LEU 48 -14.305 -11.495 16.820
354 1HD2 LEU 48 1HD2 LEU 48 -13.306 -9.596 13.673
355 2HD2 LEU 48 2HD2 LEU 48 -12.735 -11.149 13.062
356 3HD2 LEU 48 3HD2 LEU 48 -14.408 -10.971 13.587
357 H VAL 49 H VAL 49 -10.576 -8.584 12.254
358 HA VAL 49 HA VAL 49 -11.053 -6.492 11.495
359 HB VAL 49 HB VAL 49 -13.357 -6.928 13.383
360 1HG1 VAL 49 1HG1 VAL 49 -12.646 -4.501 11.800
361 2HG1 VAL 49 2HG1 VAL 49 -14.342 -4.948 11.987
362 3HG1 VAL 49 3HG1 VAL 49 -13.351 -4.627 13.411
363 1HG2 VAL 49 1HG2 VAL 49 -13.041 -8.218 11.187
364 2HG2 VAL 49 2HG2 VAL 49 -14.604 -7.453 11.479
365 3HG2 VAL 49 3HG2 VAL 49 -13.438 -6.694 10.394
366 H GLN 50 H GLN 50 -10.803 -4.269 11.950
367 HA GLN 50 HA GLN 50 -10.053 -3.622 14.720
368 1HB GLN 50 1HB GLN 50 -8.419 -1.994 13.246
369 2HB GLN 50 2HB GLN 50 -7.926 -3.507 13.995
370 1HG GLN 50 1HG GLN 50 -9.071 -3.476 11.233
371 2HG GLN 50 2HG GLN 50 -7.374 -3.090 11.513
372 2HE2 GLN 50 2HE2 GLN 50 -6.957 -4.977 10.199
373 1HE2 GLN 50 1HE2 GLN 50 -6.989 -6.544 10.924
374 H LYS 51 H LYS 51 -10.202 -1.355 15.266
375 HA LYS 51 HA LYS 51 -12.508 -0.099 14.862
376 1HB LYS 51 1HB LYS 51 -9.834 1.312 14.923
377 2HB LYS 51 2HB LYS 51 -11.387 2.068 15.253
378 1HG LYS 51 1HG LYS 51 -11.376 1.376 17.361
379 2HG LYS 51 2HG LYS 51 -10.979 -0.278 16.893
380 1HD LYS 51 1HD LYS 51 -8.811 -0.007 17.385
381 2HD LYS 51 2HD LYS 51 -8.741 1.563 16.584
382 1HE LYS 51 1HE LYS 51 -10.220 1.475 19.133
383 2HE LYS 51 2HE LYS 51 -8.479 1.223 19.243
384 1HZ LYS 51 1HZ LYS 51 -8.975 3.379 17.517
385 2HZ LYS 51 2HZ LYS 51 -9.848 3.633 18.944
386 3HZ LYS 51 3HZ LYS 51 -8.177 3.388 19.007
387 H ASN 52 H ASN 52 -13.655 0.362 13.112
388 HA ASN 52 HA ASN 52 -12.413 0.705 10.539
389 1HB ASN 52 1HB ASN 52 -14.515 0.441 9.642
390 2HB ASN 52 2HB ASN 52 -14.741 -0.369 11.189
391 2HD2 ASN 52 2HD2 ASN 52 -15.989 1.875 9.108
392 1HD2 ASN 52 1HD2 ASN 52 -17.034 2.716 10.198
393 H VAL 53 H VAL 53 -13.985 2.566 9.287
394 HA VAL 53 HA VAL 53 -13.702 5.082 10.740
395 HB VAL 53 HB VAL 53 -12.675 6.009 8.509
396 1HG1 VAL 53 1HG1 VAL 53 -11.304 4.642 10.783
397 2HG1 VAL 53 2HG1 VAL 53 -10.349 5.321 9.465
398 3HG1 VAL 53 3HG1 VAL 53 -11.415 6.362 10.408
399 1HG2 VAL 53 1HG2 VAL 53 -12.635 3.195 8.045
400 2HG2 VAL 53 2HG2 VAL 53 -12.090 4.498 6.990
401 3HG2 VAL 53 3HG2 VAL 53 -10.975 3.781 8.152
402 H THR 54 H THR 54 -15.658 5.947 10.582
403 HA THR 54 HA THR 54 -17.827 5.412 9.232
404 HB THR 54 HB THR 54 -17.817 7.336 10.638
405 HG1 THR 54 HG1 THR 54 -18.361 8.199 7.994
406 1HG2 THR 54 1HG2 THR 54 -15.459 8.051 9.568
407 2HG2 THR 54 2HG2 THR 54 -16.538 9.169 8.736
408 3HG2 THR 54 3HG2 THR 54 -16.491 9.136 10.499
409 H SER 55 H SER 55 -15.444 7.609 7.726
410 HA SER 55 HA SER 55 -15.060 6.552 5.317
411 1HB SER 55 1HB SER 55 -17.195 6.174 4.571
412 2HB SER 55 2HB SER 55 -17.869 7.520 5.489
413 HG SER 55 HG SER 55 -17.047 7.448 2.920
414 H GLU 56 H GLU 56 -13.514 7.813 4.547
415 HA GLU 56 HA GLU 56 -13.926 10.674 4.295
416 1HB GLU 56 1HB GLU 56 -11.365 10.633 5.322
417 2HB GLU 56 2HB GLU 56 -12.808 11.164 6.175
418 1HG GLU 56 1HG GLU 56 -11.585 9.628 7.551
419 2HG GLU 56 2HG GLU 56 -13.099 8.879 7.049
420 H SER 57 H SER 57 -13.877 10.118 2.058
421 HA SER 57 HA SER 57 -12.887 9.967 0.015
422 1HB SER 57 1HB SER 57 -10.127 10.261 1.055
423 2HB SER 57 2HB SER 57 -10.936 11.116 -0.257
424 HG SER 57 HG SER 57 -11.018 11.622 2.512
425 H THR 58 H THR 58 -10.162 8.989 -0.486
426 HA THR 58 HA THR 58 -9.670 6.488 0.638
427 HB THR 58 HB THR 58 -10.544 5.482 -1.826
428 HG1 THR 58 HG1 THR 58 -12.832 6.020 -1.606
429 1HG2 THR 58 1HG2 THR 58 -11.131 5.064 0.987
430 2HG2 THR 58 2HG2 THR 58 -12.504 4.729 -0.067
431 3HG2 THR 58 3HG2 THR 58 -10.970 3.900 -0.329
432 H CYS 59 H CYS 59 -8.519 5.019 -1.190
433 HA CYS 59 HA CYS 59 -7.108 5.017 -3.109
434 1HB CYS 59 1HB CYS 59 -7.642 7.419 -3.586
435 2HB CYS 59 2HB CYS 59 -6.420 7.864 -2.399
436 H CYS 60 H CYS 60 -5.191 4.100 -2.914
437 HA CYS 60 HA CYS 60 -4.023 3.629 -0.436
438 1HB CYS 60 1HB CYS 60 -2.381 3.529 -2.947
439 2HB CYS 60 2HB CYS 60 -2.367 2.436 -1.568
440 H VAL 61 H VAL 61 -2.862 4.873 0.856
441 HA VAL 61 HA VAL 61 -0.951 6.776 -0.252
442 HB VAL 61 HB VAL 61 -1.895 8.365 1.685
443 1HG1 VAL 61 1HG1 VAL 61 -1.618 8.591 -0.934
444 2HG1 VAL 61 2HG1 VAL 61 -3.379 8.510 -0.883
445 3HG1 VAL 61 3HG1 VAL 61 -2.529 9.773 0.007
446 1HG2 VAL 61 1HG2 VAL 61 -4.106 6.525 1.007
447 2HG2 VAL 61 2HG2 VAL 61 -3.800 7.437 2.484
448 3HG2 VAL 61 3HG2 VAL 61 -4.507 8.240 1.084
449 H ALA 62 H ALA 62 0.397 5.043 0.634
450 HA ALA 62 HA ALA 62 0.926 3.804 2.740
451 1HB ALA 62 2HB ALA 62 3.079 5.556 3.067
452 2HB ALA 62 3HB ALA 62 3.030 4.080 2.102
453 3HB ALA 62 1HB ALA 62 2.651 5.634 1.359
454 H LYS 63 H LYS 63 -0.120 3.834 4.465
455 HA LYS 63 HA LYS 63 -1.002 5.899 6.056
456 1HB LYS 63 1HB LYS 63 0.026 3.673 7.592
457 2HB LYS 63 2HB LYS 63 -1.632 4.217 7.403
458 1HG LYS 63 1HG LYS 63 -1.182 3.056 5.034
459 2HG LYS 63 2HG LYS 63 -0.166 2.097 6.099
460 1HD LYS 63 1HD LYS 63 -2.938 2.692 6.976
461 2HD LYS 63 2HD LYS 63 -2.711 1.479 5.716
462 1HE LYS 63 1HE LYS 63 -1.796 -0.008 7.143
463 2HE LYS 63 2HE LYS 63 -0.921 1.238 8.032
464 1HZ LYS 63 1HZ LYS 63 -3.807 1.242 8.346
465 2HZ LYS 63 2HZ LYS 63 -2.995 -0.076 9.030
466 3HZ LYS 63 3HZ LYS 63 -2.592 1.500 9.492
467 H SER 64 H SER 64 1.963 4.065 6.063
468 HA SER 64 HA SER 64 3.234 6.248 7.411
469 1HB SER 64 1HB SER 64 3.273 3.407 8.372
470 2HB SER 64 2HB SER 64 4.529 4.557 8.831
471 HG SER 64 HG SER 64 1.810 5.196 9.175
472 H TYR 65 H TYR 65 4.758 6.900 6.122
473 HA TYR 65 HA TYR 65 6.068 4.987 4.333
474 1HB TYR 65 1HB TYR 65 7.018 7.314 3.499
475 2HB TYR 65 2HB TYR 65 5.434 6.722 3.009
476 HD1 TYR 65 HD1 TYR 65 3.391 7.701 3.964
477 HD2 TYR 65 HD2 TYR 65 7.242 9.207 4.962
478 HE1 TYR 65 HE1 TYR 65 2.355 9.740 4.869
479 HE2 TYR 65 HE2 TYR 65 6.219 11.247 5.869
480 HH TYR 65 HH TYR 65 3.386 12.334 5.210
481 H ASN 66 H ASN 66 8.342 5.311 3.866
482 HA ASN 66 HA ASN 66 9.869 6.404 6.121
483 1HB ASN 66 1HB ASN 66 9.637 3.619 5.547
484 2HB ASN 66 2HB ASN 66 11.277 4.133 5.162
485 2HD2 ASN 66 2HD2 ASN 66 12.475 3.435 6.785
486 1HD2 ASN 66 1HD2 ASN 66 12.183 3.752 8.458
487 H ARG 67 H ARG 67 9.090 7.225 3.620
488 HA ARG 67 HA ARG 67 10.136 7.379 1.379
489 1HB ARG 67 1HB ARG 67 9.418 9.378 3.063
490 2HB ARG 67 2HB ARG 67 11.076 9.823 2.690
491 1HG ARG 67 1HG ARG 67 9.758 9.083 0.281
492 2HG ARG 67 2HG ARG 67 8.756 10.244 1.153
493 1HD ARG 67 1HD ARG 67 11.664 10.810 0.967
494 2HD ARG 67 2HD ARG 67 10.709 10.996 -0.502
495 HE ARG 67 HE ARG 67 9.443 12.309 1.656
496 1HH1 ARG 67 1HH1 ARG 67 12.170 12.593 -0.491
497 2HH1 ARG 67 2HH1 ARG 67 12.225 14.321 -0.404
498 1HH2 ARG 67 1HH2 ARG 67 9.502 14.590 1.772
499 2HH2 ARG 67 2HH2 ARG 67 10.708 15.456 0.881
500 H VAL 68 H VAL 68 11.868 7.106 0.243
501 HA VAL 68 HA VAL 68 14.525 7.553 1.387
502 HB VAL 68 HB VAL 68 15.370 5.426 0.791
503 1HG1 VAL 68 1HG1 VAL 68 13.249 5.624 2.593
504 2HG1 VAL 68 2HG1 VAL 68 12.939 4.159 1.667
505 3HG1 VAL 68 3HG1 VAL 68 14.469 4.354 2.517
506 1HG2 VAL 68 1HG2 VAL 68 13.453 5.519 -1.241
507 2HG2 VAL 68 2HG2 VAL 68 14.654 4.263 -0.966
508 3HG2 VAL 68 3HG2 VAL 68 13.038 4.108 -0.282
509 H THR 69 H THR 69 13.332 9.232 -0.352
510 HA THR 69 HA THR 69 13.126 9.412 -2.833
511 HB THR 69 HB THR 69 15.487 10.712 -1.497
512 HG1 THR 69 HG1 THR 69 14.096 12.490 -1.493
513 1HG2 THR 69 1HG2 THR 69 15.029 10.557 -4.272
514 2HG2 THR 69 2HG2 THR 69 14.601 12.186 -3.751
515 3HG2 THR 69 3HG2 THR 69 16.207 11.543 -3.407
516 H VAL 70 H VAL 70 13.588 8.250 -4.550
517 HA VAL 70 HA VAL 70 16.249 7.011 -4.733
518 HB VAL 70 HB VAL 70 15.333 5.138 -5.869
519 1HG1 VAL 70 1HG1 VAL 70 14.825 5.656 -3.258
520 2HG1 VAL 70 2HG1 VAL 70 13.193 5.356 -3.852
521 3HG1 VAL 70 3HG1 VAL 70 14.443 4.128 -4.050
522 1HG2 VAL 70 1HG2 VAL 70 13.665 6.355 -7.208
523 2HG2 VAL 70 2HG2 VAL 70 13.002 4.903 -6.459
524 3HG2 VAL 70 3HG2 VAL 70 12.641 6.487 -5.777
525 H MET 71 H MET 71 16.209 6.021 -7.172
526 HA MET 71 HA MET 71 17.063 6.698 -9.196
527 1HB MET 71 1HB MET 71 14.329 7.910 -9.448
528 2HB MET 71 2HB MET 71 15.309 7.182 -10.713
529 1HG MET 71 1HG MET 71 14.636 5.443 -8.463
530 2HG MET 71 2HG MET 71 13.285 5.962 -9.465
531 1HE MET 71 1HE MET 71 12.490 3.952 -10.720
532 2HE MET 71 2HE MET 71 13.530 2.630 -11.250
533 3HE MET 71 3HE MET 71 13.392 3.008 -9.533
534 H GLY 72 H GLY 72 15.332 9.119 -10.288
535 1HA GLY 72 1HA GLY 72 16.035 11.212 -10.936
536 2HA GLY 72 2HA GLY 72 17.445 11.027 -9.906
537 H GLY 73 H GLY 73 15.972 10.402 -7.516
538 1HA GLY 73 1HA GLY 73 14.992 13.108 -6.907
539 2HA GLY 73 2HA GLY 73 15.638 11.970 -5.732
540 H PHE 74 H PHE 74 13.995 9.858 -7.210
541 HA PHE 74 HA PHE 74 11.285 10.335 -7.088
542 1HB PHE 74 1HB PHE 74 13.016 7.935 -6.826
543 2HB PHE 74 2HB PHE 74 11.321 7.759 -6.384
544 HD1 PHE 74 HD1 PHE 74 12.807 9.863 -9.052
545 HD2 PHE 74 HD2 PHE 74 10.454 6.442 -8.116
546 HE1 PHE 74 HE1 PHE 74 12.235 9.613 -11.430
547 HE2 PHE 74 HE2 PHE 74 9.880 6.185 -10.496
548 HZ PHE 74 HZ PHE 74 10.770 7.771 -12.156
549 H LYS 75 H LYS 75 9.940 8.847 -5.403
550 HA LYS 75 HA LYS 75 10.844 9.213 -2.676
551 1HB LYS 75 1HB LYS 75 8.226 10.494 -3.428
552 2HB LYS 75 2HB LYS 75 9.166 10.699 -1.956
553 1HG LYS 75 1HG LYS 75 10.948 11.694 -3.594
554 2HG LYS 75 2HG LYS 75 9.546 11.935 -4.637
555 1HD LYS 75 1HD LYS 75 9.868 12.958 -1.815
556 2HD LYS 75 2HD LYS 75 9.980 13.920 -3.290
557 1HE LYS 75 1HE LYS 75 7.525 12.359 -2.521
558 2HE LYS 75 2HE LYS 75 7.780 14.041 -2.059
559 1HZ LYS 75 1HZ LYS 75 8.264 13.874 -4.785
560 2HZ LYS 75 2HZ LYS 75 6.839 13.005 -4.508
561 3HZ LYS 75 3HZ LYS 75 6.953 14.618 -4.015
562 H VAL 76 H VAL 76 10.620 7.027 -2.352
563 HA VAL 76 HA VAL 76 8.136 5.689 -2.968
564 HB VAL 76 HB VAL 76 9.236 3.640 -1.960
565 1HG1 VAL 76 1HG1 VAL 76 9.753 4.735 -4.380
566 2HG1 VAL 76 2HG1 VAL 76 11.373 4.797 -3.686
567 3HG1 VAL 76 3HG1 VAL 76 10.523 3.259 -3.804
568 1HG2 VAL 76 1HG2 VAL 76 10.726 5.710 -0.719
569 2HG2 VAL 76 2HG2 VAL 76 10.875 3.972 -0.485
570 3HG2 VAL 76 3HG2 VAL 76 11.859 4.788 -1.699
571 H GLU 77 H GLU 77 8.758 7.779 -0.832
572 HA GLU 77 HA GLU 77 8.454 7.974 1.519
573 1HB GLU 77 1HB GLU 77 6.144 8.000 -0.068
574 2HB GLU 77 2HB GLU 77 5.733 6.939 1.269
575 1HG GLU 77 1HG GLU 77 5.099 8.868 2.218
576 2HG GLU 77 2HG GLU 77 6.809 8.966 2.639
577 H ASN 78 H ASN 78 9.726 5.698 0.879
578 HA ASN 78 HA ASN 78 9.428 3.304 0.986
579 1HB ASN 78 1HB ASN 78 11.431 4.268 2.176
580 2HB ASN 78 2HB ASN 78 10.496 4.151 3.665
581 H HIS 79 H HIS 79 7.152 3.363 0.965
582 HA HIS 79 HA HIS 79 5.422 3.650 2.956
583 1HB HIS 79 1HB HIS 79 5.362 1.555 0.802
584 2HB HIS 79 2HB HIS 79 3.972 1.989 1.804
585 HD1 HIS 79 HD1 HIS 79 3.262 2.626 -0.893
586 HD2 HIS 79 HD2 HIS 79 5.777 5.099 1.268
587 HE1 HIS 79 HE1 HIS 79 3.252 4.855 -2.090
588 H THR 80 H THR 80 5.390 3.046 4.864
589 HA THR 80 HA THR 80 6.402 0.426 5.660
590 HB THR 80 HB THR 80 6.611 1.278 7.808
591 HG1 THR 80 HG1 THR 80 5.317 2.864 8.652
592 1HG2 THR 80 1HG2 THR 80 7.643 2.814 5.848
593 2HG2 THR 80 2HG2 THR 80 6.675 4.003 6.718
594 3HG2 THR 80 3HG2 THR 80 7.919 3.085 7.567
595 H ALA 81 H ALA 81 3.461 2.319 5.399
596 HA ALA 81 HA ALA 81 1.892 -0.106 5.570
597 1HB ALA 81 1HB ALA 81 2.091 0.949 7.906
598 2HB ALA 81 3HB ALA 81 0.476 0.575 7.309
599 3HB ALA 81 2HB ALA 81 1.071 2.236 7.267
600 H CYS 82 H CYS 82 -0.161 0.164 4.474
601 HA CYS 82 HA CYS 82 -0.444 2.745 3.093
602 1HB CYS 82 1HB CYS 82 -0.039 0.093 1.923
603 2HB CYS 82 2HB CYS 82 -1.423 0.948 1.254
604 H HIS 83 H HIS 83 -2.401 3.618 3.110
605 HA HIS 83 HA HIS 83 -4.716 1.915 3.740
606 1HB HIS 83 1HB HIS 83 -5.592 3.774 5.164
607 2HB HIS 83 2HB HIS 83 -4.144 3.011 5.806
608 HD1 HIS 83 HD1 HIS 83 -4.413 5.573 7.035
609 HD2 HIS 83 HD2 HIS 83 -2.863 5.309 3.188
610 HE1 HIS 83 HE1 HIS 83 -3.140 7.713 6.672
611 HE2 HIS 83 HE2 HIS 83 -2.229 7.539 4.329
612 H CYS 84 H CYS 84 -6.448 2.239 2.492
613 HA CYS 84 HA CYS 84 -6.355 3.965 0.258
614 1HB CYS 84 1HB CYS 84 -8.744 2.566 1.478
615 2HB CYS 84 2HB CYS 84 -8.673 3.261 -0.137
616 H SER 85 H SER 85 -6.244 6.099 0.646
617 HA SER 85 HA SER 85 -8.570 7.413 1.734
618 1HB SER 85 1HB SER 85 -6.025 7.218 3.230
619 2HB SER 85 2HB SER 85 -6.740 8.829 3.144
620 HG SER 85 HG SER 85 -8.040 8.171 4.644
621 H THR 86 H THR 86 -8.126 9.902 1.716
622 HA THR 86 HA THR 86 -7.942 10.880 -0.749
623 HB THR 86 HB THR 86 -8.423 12.454 0.906
624 HG1 THR 86 HG1 THR 86 -5.766 13.208 0.355
625 1HG2 THR 86 1HG2 THR 86 -7.111 11.199 2.700
626 2HG2 THR 86 2HG2 THR 86 -5.743 12.199 2.209
627 3HG2 THR 86 3HG2 THR 86 -7.213 12.955 2.823
628 H CYS 87 H CYS 87 -6.524 11.067 -2.353
629 HA CYS 87 HA CYS 87 -3.666 11.101 -1.797
630 1HB CYS 87 1HB CYS 87 -3.101 9.186 -2.951
631 2HB CYS 87 2HB CYS 87 -4.626 8.687 -2.228
632 H TYR 88 H TYR 88 -2.386 11.631 -3.739
633 HA TYR 88 HA TYR 88 -3.906 13.437 -5.487
634 1HB TYR 88 1HB TYR 88 -2.085 14.429 -4.128
635 2HB TYR 88 2HB TYR 88 -0.932 13.362 -4.921
636 HD1 TYR 88 HD1 TYR 88 -3.712 14.932 -6.738
637 HD2 TYR 88 HD2 TYR 88 0.426 15.160 -5.778
638 HE1 TYR 88 HE1 TYR 88 -3.399 16.608 -8.510
639 HE2 TYR 88 HE2 TYR 88 0.749 16.839 -7.546
640 HH TYR 88 HH TYR 88 -0.275 18.187 -9.018
641 H TYR 89 H TYR 89 -3.704 13.351 -7.718
642 HA TYR 89 HA TYR 89 -3.135 10.798 -8.835
643 1HB TYR 89 1HB TYR 89 -3.843 13.471 -10.027
644 2HB TYR 89 2HB TYR 89 -3.449 12.090 -11.044
645 HD1 TYR 89 HD1 TYR 89 -4.831 10.340 -8.602
646 HD2 TYR 89 HD2 TYR 89 -6.033 13.372 -11.336
647 HE1 TYR 89 HE1 TYR 89 -7.153 9.553 -8.445
648 HE2 TYR 89 HE2 TYR 89 -8.361 12.594 -11.182
649 HH TYR 89 HH TYR 89 -9.251 9.681 -10.016
650 H HIS 90 H HIS 90 -0.851 11.163 -7.692
651 HA HIS 90 HA HIS 90 1.005 12.230 -9.710
652 1HB HIS 90 1HB HIS 90 0.895 12.823 -7.050
653 2HB HIS 90 2HB HIS 90 2.074 11.515 -7.056
654 HD1 HIS 90 HD1 HIS 90 3.430 13.849 -6.208
655 HD2 HIS 90 HD2 HIS 90 2.657 13.317 -10.255
656 HE1 HIS 90 HE1 HIS 90 5.053 15.352 -7.405
657 HE2 HIS 90 HE2 HIS 90 4.507 15.079 -9.850
658 H LYS 91 H LYS 91 0.687 9.583 -7.360
659 HA LYS 91 HA LYS 91 2.361 7.770 -7.427
660 1HB LYS 91 1HB LYS 91 0.223 6.657 -9.134
661 2HB LYS 91 2HB LYS 91 0.831 6.104 -7.579
662 1HG LYS 91 1HG LYS 91 -0.503 7.650 -6.396
663 2HG LYS 91 2HG LYS 91 -0.900 8.542 -7.865
664 1HD LYS 91 1HD LYS 91 -2.527 7.098 -8.456
665 2HD LYS 91 2HD LYS 91 -1.617 5.690 -7.904
666 1HE LYS 91 1HE LYS 91 -3.443 7.494 -6.379
667 2HE LYS 91 2HE LYS 91 -3.384 5.732 -6.418
668 1HZ LYS 91 1HZ LYS 91 -1.037 6.202 -5.343
669 2HZ LYS 91 2HZ LYS 91 -1.815 7.612 -4.824
670 3HZ LYS 91 3HZ LYS 91 -2.441 6.095 -4.406
671 H SER 92 H SER 92 3.999 8.762 -8.887
672 HA SER 92 HA SER 92 4.522 7.031 -11.070
673 1HB SER 92 1HB SER 92 3.918 9.899 -11.829
674 2HB SER 92 2HB SER 92 4.424 8.605 -12.913
675 HG SER 92 HG SER 92 1.945 9.086 -11.743
No H/Q in entry = 675
Start of MODEL 21
1 H1 ALA 1 H1 ALA 1 11.365 -10.193 -18.603
2 H2 ALA 1 H2 ALA 1 12.418 -8.843 -18.533
3 H3 ALA 1 H3 ALA 1 13.000 -10.406 -18.128
4 HA ALA 1 HA ALA 1 12.402 -10.186 -16.080
5 1HB ALA 1 1HB ALA 1 11.586 -7.889 -15.361
6 2HB ALA 1 3HB ALA 1 13.139 -7.959 -16.193
7 3HB ALA 1 2HB ALA 1 11.696 -7.437 -17.063
8 HA PRO 2 HA PRO 2 8.150 -11.322 -15.709
9 1HB PRO 2 1HB PRO 2 7.962 -11.551 -13.040
10 2HB PRO 2 2HB PRO 2 8.934 -12.674 -14.001
11 1HG PRO 2 1HG PRO 2 9.811 -10.305 -12.393
12 2HG PRO 2 2HG PRO 2 10.545 -11.916 -12.501
13 1HD PRO 2 1HD PRO 2 11.453 -9.738 -13.886
14 2HD PRO 2 2HD PRO 2 11.655 -11.409 -14.444
15 H ASP 3 H ASP 3 7.018 -9.500 -16.422
16 HA ASP 3 HA ASP 3 6.247 -7.603 -14.305
17 1HB ASP 3 1HB ASP 3 7.272 -7.115 -16.973
18 2HB ASP 3 2HB ASP 3 5.690 -6.370 -16.754
19 H VAL 4 H VAL 4 4.082 -6.621 -14.639
20 HA VAL 4 HA VAL 4 2.228 -8.495 -15.951
21 HB VAL 4 HB VAL 4 0.663 -7.603 -13.978
22 1HG1 VAL 4 1HG1 VAL 4 1.742 -9.986 -14.681
23 2HG1 VAL 4 2HG1 VAL 4 2.410 -9.782 -13.062
24 3HG1 VAL 4 3HG1 VAL 4 0.663 -9.750 -13.306
25 1HG2 VAL 4 1HG2 VAL 4 3.466 -7.300 -12.990
26 2HG2 VAL 4 2HG2 VAL 4 2.058 -6.275 -12.711
27 3HG2 VAL 4 3HG2 VAL 4 2.201 -7.824 -11.880
28 H GLN 5 H GLN 5 2.571 -6.771 -17.664
29 HA GLN 5 HA GLN 5 1.575 -4.156 -17.318
30 1HB GLN 5 1HB GLN 5 1.501 -4.071 -19.786
31 2HB GLN 5 2HB GLN 5 3.026 -4.710 -19.188
32 1HG GLN 5 1HG GLN 5 2.302 -6.970 -19.688
33 2HG GLN 5 2HG GLN 5 0.737 -6.364 -20.228
34 2HE2 GLN 5 2HE2 GLN 5 1.123 -7.355 -22.256
35 1HE2 GLN 5 1HE2 GLN 5 2.167 -6.617 -23.419
36 H ASP 6 H ASP 6 -0.329 -5.109 -16.004
37 HA ASP 6 HA ASP 6 -2.703 -4.561 -17.388
38 1HB ASP 6 1HB ASP 6 -3.689 -6.936 -17.117
39 2HB ASP 6 2HB ASP 6 -2.641 -6.627 -18.497
40 H CYS 7 H CYS 7 -3.391 -3.387 -15.686
41 HA CYS 7 HA CYS 7 -3.830 -2.831 -13.482
42 1HB CYS 7 1HB CYS 7 -5.666 -4.623 -14.602
43 2HB CYS 7 2HB CYS 7 -5.395 -5.212 -12.965
44 HA PRO 8 HA PRO 8 -0.685 -5.973 -11.800
45 1HB PRO 8 1HB PRO 8 0.468 -3.372 -10.925
46 2HB PRO 8 2HB PRO 8 1.281 -4.801 -11.573
47 1HG PRO 8 1HG PRO 8 0.943 -2.621 -13.073
48 2HG PRO 8 2HG PRO 8 0.798 -4.246 -13.769
49 1HD PRO 8 1HD PRO 8 -1.342 -2.295 -13.041
50 2HD PRO 8 2HD PRO 8 -1.268 -3.437 -14.399
51 H GLU 9 H GLU 9 -1.876 -6.778 -10.146
52 HA GLU 9 HA GLU 9 -3.526 -5.795 -8.357
53 1HB GLU 9 1HB GLU 9 -2.189 -8.101 -8.445
54 2HB GLU 9 2HB GLU 9 -1.346 -7.370 -7.087
55 1HG GLU 9 1HG GLU 9 -3.553 -7.012 -5.997
56 2HG GLU 9 2HG GLU 9 -4.291 -7.928 -7.312
57 H CYS 10 H CYS 10 -3.610 -3.999 -7.189
58 HA CYS 10 HA CYS 10 -1.576 -2.239 -6.662
59 1HB CYS 10 1HB CYS 10 -4.189 -2.134 -6.221
60 2HB CYS 10 2HB CYS 10 -3.697 -2.542 -4.582
61 H THR 11 H THR 11 0.245 -2.418 -5.530
62 HA THR 11 HA THR 11 0.420 -3.179 -2.862
63 HB THR 11 HB THR 11 1.858 -5.380 -3.840
64 HG1 THR 11 HG1 THR 11 -0.757 -5.699 -4.763
65 1HG2 THR 11 1HG2 THR 11 -0.063 -4.896 -1.888
66 2HG2 THR 11 2HG2 THR 11 -0.725 -6.181 -2.899
67 3HG2 THR 11 3HG2 THR 11 0.860 -6.377 -2.149
68 H LEU 12 H LEU 12 2.670 -3.421 -2.109
69 HA LEU 12 HA LEU 12 4.394 -1.534 -3.211
70 1HB LEU 12 1HB LEU 12 4.787 -3.815 -1.327
71 2HB LEU 12 2HB LEU 12 6.173 -2.919 -1.916
72 HG LEU 12 HG LEU 12 4.849 -0.823 -1.076
73 1HD1 LEU 12 1HD1 LEU 12 2.826 -2.302 -0.604
74 2HD1 LEU 12 2HD1 LEU 12 3.730 -2.892 0.792
75 3HD1 LEU 12 3HD1 LEU 12 3.323 -1.181 0.663
76 1HD2 LEU 12 1HD2 LEU 12 6.552 -2.794 0.296
77 2HD2 LEU 12 2HD2 LEU 12 6.779 -1.064 0.056
78 3HD2 LEU 12 3HD2 LEU 12 5.711 -1.645 1.335
79 H GLN 13 H GLN 13 5.817 -1.563 -4.845
80 HA GLN 13 HA GLN 13 6.494 -4.186 -5.927
81 1HB GLN 13 1HB GLN 13 5.895 -1.762 -7.566
82 2HB GLN 13 2HB GLN 13 6.304 -3.367 -8.169
83 1HG GLN 13 1HG GLN 13 4.117 -3.534 -6.334
84 2HG GLN 13 2HG GLN 13 3.757 -2.350 -7.588
85 2HE2 GLN 13 2HE2 GLN 13 3.170 -5.369 -6.813
86 1HE2 GLN 13 1HE2 GLN 13 3.146 -6.132 -8.362
87 H GLU 14 H GLU 14 8.100 -3.558 -4.381
88 HA GLU 14 HA GLU 14 10.097 -2.296 -3.857
89 1HB GLU 14 1HB GLU 14 10.151 -4.907 -4.622
90 2HB GLU 14 2HB GLU 14 11.351 -4.199 -5.694
91 1HG GLU 14 1HG GLU 14 12.811 -3.802 -4.027
92 2HG GLU 14 2HG GLU 14 11.542 -3.416 -2.865
93 H ASN 15 H ASN 15 11.230 -0.667 -4.448
94 HA ASN 15 HA ASN 15 11.057 0.606 -6.882
95 1HB ASN 15 1HB ASN 15 12.124 1.209 -4.446
96 2HB ASN 15 2HB ASN 15 13.547 1.146 -5.479
97 2HD2 ASN 15 2HD2 ASN 15 10.289 2.492 -5.322
98 1HD2 ASN 15 1HD2 ASN 15 10.665 3.963 -6.143
99 HA PRO 16 HA PRO 16 14.001 -2.138 -8.997
100 1HB PRO 16 1HB PRO 16 13.141 -1.597 -11.501
101 2HB PRO 16 2HB PRO 16 12.291 -2.741 -10.456
102 1HG PRO 16 1HG PRO 16 11.641 0.114 -11.065
103 2HG PRO 16 2HG PRO 16 10.552 -1.278 -10.926
104 1HD PRO 16 1HD PRO 16 10.923 0.558 -8.934
105 2HD PRO 16 2HD PRO 16 10.454 -1.127 -8.643
106 H PHE 17 H PHE 17 13.607 0.981 -8.478
107 HA PHE 17 HA PHE 17 15.690 1.957 -10.289
108 1HB PHE 17 1HB PHE 17 13.522 3.162 -10.262
109 2HB PHE 17 2HB PHE 17 13.734 3.472 -8.543
110 HD1 PHE 17 HD1 PHE 17 16.856 3.591 -10.113
111 HD2 PHE 17 HD2 PHE 17 13.291 5.842 -9.550
112 HE1 PHE 17 HE1 PHE 17 18.081 5.657 -10.660
113 HE2 PHE 17 HE2 PHE 17 14.507 7.914 -10.096
114 HZ PHE 17 HZ PHE 17 16.904 7.821 -10.652
115 H PHE 18 H PHE 18 14.595 2.369 -6.932
116 HA PHE 18 HA PHE 18 17.209 3.216 -6.055
117 1HB PHE 18 1HB PHE 18 14.805 2.563 -4.345
118 2HB PHE 18 2HB PHE 18 16.170 3.594 -3.927
119 HD1 PHE 18 HD1 PHE 18 16.121 4.744 -6.873
120 HD2 PHE 18 HD2 PHE 18 13.275 4.427 -3.736
121 HE1 PHE 18 HE1 PHE 18 14.940 6.708 -7.765
122 HE2 PHE 18 HE2 PHE 18 12.080 6.393 -4.623
123 HZ PHE 18 HZ PHE 18 12.912 7.533 -6.639
124 H SER 19 H SER 19 16.009 0.307 -6.831
125 HA SER 19 HA SER 19 16.684 -1.350 -4.658
126 1HB SER 19 1HB SER 19 15.861 -1.680 -7.422
127 2HB SER 19 2HB SER 19 17.077 -2.872 -6.965
128 HG SER 19 HG SER 19 15.762 -3.613 -5.373
129 H GLN 20 H GLN 20 18.661 -1.176 -3.776
130 HA GLN 20 HA GLN 20 20.996 -1.362 -5.563
131 1HB GLN 20 1HB GLN 20 20.999 -0.382 -2.706
132 2HB GLN 20 2HB GLN 20 22.291 -0.236 -3.888
133 1HG GLN 20 1HG GLN 20 21.246 1.472 -5.024
134 2HG GLN 20 2HG GLN 20 19.648 1.028 -4.427
135 2HE2 GLN 20 2HE2 GLN 20 22.788 2.235 -3.320
136 1HE2 GLN 20 1HE2 GLN 20 22.154 3.265 -2.087
137 HA PRO 21 HA PRO 21 22.216 -5.267 -3.941
138 1HB PRO 21 1HB PRO 21 24.845 -4.859 -3.234
139 2HB PRO 21 2HB PRO 21 24.294 -5.127 -4.891
140 1HG PRO 21 1HG PRO 21 24.907 -2.552 -3.491
141 2HG PRO 21 2HG PRO 21 25.332 -3.058 -5.139
142 1HD PRO 21 1HD PRO 21 23.286 -1.398 -4.691
143 2HD PRO 21 2HD PRO 21 23.188 -2.651 -5.947
144 H GLY 22 H GLY 22 20.698 -4.388 -2.097
145 1HA GLY 22 1HA GLY 22 22.160 -3.957 0.398
146 2HA GLY 22 2HA GLY 22 21.189 -5.418 0.278
147 H ALA 23 H ALA 23 19.864 -2.875 -1.491
148 HA ALA 23 HA ALA 23 17.765 -2.577 0.499
149 1HB ALA 23 1HB ALA 23 18.667 -0.662 1.247
150 2HB ALA 23 3HB ALA 23 19.731 -0.507 -0.150
151 3HB ALA 23 2HB ALA 23 18.054 0.031 -0.254
152 HA PRO 24 HA PRO 24 15.657 -2.568 -3.413
153 1HB PRO 24 1HB PRO 24 13.963 -4.511 -2.679
154 2HB PRO 24 2HB PRO 24 15.653 -4.855 -3.045
155 1HG PRO 24 1HG PRO 24 14.270 -4.929 -0.466
156 2HG PRO 24 2HG PRO 24 15.842 -5.610 -0.915
157 1HD PRO 24 1HD PRO 24 15.228 -3.065 0.389
158 2HD PRO 24 2HD PRO 24 16.779 -3.923 0.257
159 H ILE 25 H ILE 25 15.008 -0.357 -2.600
160 HA ILE 25 HA ILE 25 12.964 0.333 -1.016
161 HB ILE 25 HB ILE 25 13.798 1.432 -3.685
162 1HG1 ILE 25 1HG1 ILE 25 15.533 1.482 -2.065
163 2HG1 ILE 25 2HG1 ILE 25 14.832 3.102 -2.057
164 1HG2 ILE 25 1HG2 ILE 25 11.821 2.398 -1.641
165 2HG2 ILE 25 2HG2 ILE 25 12.735 3.542 -2.618
166 3HG2 ILE 25 3HG2 ILE 25 11.664 2.386 -3.398
167 1HD1 ILE 25 1HD1 ILE 25 13.329 2.234 -0.191
168 2HD1 ILE 25 2HD1 ILE 25 14.467 0.896 -0.076
169 3HD1 ILE 25 3HD1 ILE 25 15.022 2.548 0.196
170 H LEU 26 H LEU 26 10.886 1.493 -2.128
171 HA LEU 26 HA LEU 26 9.453 -0.488 -3.703
172 1HB LEU 26 1HB LEU 26 8.000 0.586 -1.438
173 2HB LEU 26 2HB LEU 26 8.095 -1.070 -2.035
174 HG LEU 26 HG LEU 26 10.457 0.115 -0.776
175 1HD1 LEU 26 1HD1 LEU 26 8.008 0.127 0.560
176 2HD1 LEU 26 2HD1 LEU 26 8.918 -1.227 1.227
177 3HD1 LEU 26 3HD1 LEU 26 9.611 0.391 1.242
178 1HD2 LEU 26 1HD2 LEU 26 9.427 -2.529 -1.426
179 2HD2 LEU 26 2HD2 LEU 26 11.089 -1.972 -1.238
180 3HD2 LEU 26 3HD2 LEU 26 10.148 -2.427 0.181
181 H GLN 27 H GLN 27 7.027 0.270 -3.393
182 HA GLN 27 HA GLN 27 6.173 2.845 -3.412
183 1HB GLN 27 1HB GLN 27 7.776 3.496 -5.065
184 2HB GLN 27 2HB GLN 27 7.294 2.183 -6.130
185 1HG GLN 27 1HG GLN 27 4.960 3.623 -5.654
186 2HG GLN 27 2HG GLN 27 6.217 4.838 -5.881
187 2HE2 GLN 27 2HE2 GLN 27 7.810 3.193 -7.637
188 1HE2 GLN 27 1HE2 GLN 27 6.981 3.135 -9.151
189 H CYS 28 H CYS 28 4.548 1.296 -2.674
190 HA CYS 28 HA CYS 28 3.074 -0.561 -3.735
191 1HB CYS 28 1HB CYS 28 2.117 2.001 -2.516
192 2HB CYS 28 2HB CYS 28 0.944 0.834 -3.118
193 H MET 29 H MET 29 2.968 -0.938 -5.889
194 HA MET 29 HA MET 29 1.659 1.116 -7.547
195 1HB MET 29 1HB MET 29 3.575 1.040 -8.723
196 2HB MET 29 2HB MET 29 4.087 -0.461 -7.966
197 1HG MET 29 1HG MET 29 2.647 -1.718 -9.493
198 2HG MET 29 2HG MET 29 2.154 -0.210 -10.261
199 1HE MET 29 1HE MET 29 2.978 -2.590 -11.608
200 2HE MET 29 2HE MET 29 4.258 -2.232 -12.768
201 3HE MET 29 3HE MET 29 4.624 -3.143 -11.303
202 H GLY 30 H GLY 30 0.102 0.457 -9.033
203 1HA GLY 30 1HA GLY 30 -1.100 -2.136 -8.394
204 2HA GLY 30 2HA GLY 30 -0.708 -1.802 -10.073
205 H CYS 31 H CYS 31 -3.279 -2.399 -9.265
206 HA CYS 31 HA CYS 31 -4.662 0.196 -9.417
207 1HB CYS 31 1HB CYS 31 -6.067 -0.536 -11.144
208 2HB CYS 31 2HB CYS 31 -4.485 -1.146 -11.616
209 H CYS 32 H CYS 32 -6.141 0.462 -7.878
210 HA CYS 32 HA CYS 32 -6.801 -1.713 -6.113
211 1HB CYS 32 1HB CYS 32 -6.450 0.798 -5.523
212 2HB CYS 32 2HB CYS 32 -8.128 0.980 -6.027
213 H PHE 33 H PHE 33 -8.467 -3.042 -6.305
214 HA PHE 33 HA PHE 33 -10.359 -2.774 -8.424
215 1HB PHE 33 1HB PHE 33 -11.124 -4.682 -6.359
216 2HB PHE 33 2HB PHE 33 -10.737 -4.960 -8.054
217 HD1 PHE 33 HD1 PHE 33 -9.420 -4.826 -4.646
218 HD2 PHE 33 HD2 PHE 33 -8.507 -5.578 -8.734
219 HE1 PHE 33 HE1 PHE 33 -7.300 -5.876 -3.975
220 HE2 PHE 33 HE2 PHE 33 -6.385 -6.632 -8.069
221 HZ PHE 33 HZ PHE 33 -5.779 -6.781 -5.686
222 H SER 34 H SER 34 -12.683 -3.786 -7.090
223 HA SER 34 HA SER 34 -13.615 -1.298 -5.835
224 1HB SER 34 1HB SER 34 -15.792 -1.801 -6.611
225 2HB SER 34 2HB SER 34 -14.735 -2.247 -7.949
226 HG SER 34 HG SER 34 -15.088 -4.341 -7.557
227 H ARG 35 H ARG 35 -12.280 -2.476 -3.998
228 HA ARG 35 HA ARG 35 -12.761 -4.559 -2.511
229 1HB ARG 35 1HB ARG 35 -11.449 -2.693 -1.662
230 2HB ARG 35 2HB ARG 35 -12.911 -1.750 -1.407
231 1HG ARG 35 1HG ARG 35 -12.659 -4.385 -0.052
232 2HG ARG 35 2HG ARG 35 -11.749 -3.009 0.573
233 1HD ARG 35 1HD ARG 35 -14.716 -3.357 0.337
234 2HD ARG 35 2HD ARG 35 -13.760 -2.956 1.762
235 HE ARG 35 HE ARG 35 -13.309 -0.781 0.521
236 1HH1 ARG 35 1HH1 ARG 35 -16.269 -2.605 0.194
237 2HH1 ARG 35 2HH1 ARG 35 -17.224 -1.221 -0.213
238 1HH2 ARG 35 1HH2 ARG 35 -14.565 1.040 -0.022
239 2HH2 ARG 35 2HH2 ARG 35 -16.257 0.848 -0.337
240 H ALA 36 H ALA 36 -14.339 -5.637 -1.476
241 HA ALA 36 HA ALA 36 -16.999 -4.369 -1.360
242 1HB ALA 36 1HB ALA 36 -17.751 -6.077 -2.565
243 2HB ALA 36 3HB ALA 36 -17.311 -7.164 -1.248
244 3HB ALA 36 2HB ALA 36 -16.160 -6.839 -2.543
245 H TYR 37 H TYR 37 -17.583 -3.902 0.656
246 HA TYR 37 HA TYR 37 -17.874 -4.018 2.911
247 1HB TYR 37 1HB TYR 37 -18.186 -6.671 1.928
248 2HB TYR 37 2HB TYR 37 -17.308 -6.768 3.449
249 HD1 TYR 37 HD1 TYR 37 -18.745 -4.134 4.498
250 HD2 TYR 37 HD2 TYR 37 -20.096 -7.839 2.897
251 HE1 TYR 37 HE1 TYR 37 -20.856 -3.892 5.732
252 HE2 TYR 37 HE2 TYR 37 -22.211 -7.607 4.130
253 HH TYR 37 HH TYR 37 -23.224 -6.467 5.853
254 HA PRO 38 HA PRO 38 -13.301 -3.467 3.475
255 1HB PRO 38 1HB PRO 38 -14.628 -2.013 5.735
256 2HB PRO 38 2HB PRO 38 -13.220 -1.544 4.773
257 1HG PRO 38 1HG PRO 38 -15.604 -0.466 4.289
258 2HG PRO 38 2HG PRO 38 -14.509 -0.888 2.959
259 1HD PRO 38 1HD PRO 38 -17.005 -2.228 3.852
260 2HD PRO 38 2HD PRO 38 -16.280 -2.152 2.235
261 H THR 39 H THR 39 -11.993 -4.691 4.711
262 HA THR 39 HA THR 39 -12.900 -6.831 6.199
263 HB THR 39 HB THR 39 -10.586 -6.953 7.118
264 HG1 THR 39 HG1 THR 39 -9.479 -5.198 7.207
265 1HG2 THR 39 1HG2 THR 39 -10.977 -6.509 4.189
266 2HG2 THR 39 2HG2 THR 39 -9.383 -6.866 4.854
267 3HG2 THR 39 3HG2 THR 39 -10.704 -8.015 5.065
268 HA PRO 40 HA PRO 40 -14.028 -5.213 10.142
269 1HB PRO 40 1HB PRO 40 -13.674 -7.380 11.699
270 2HB PRO 40 2HB PRO 40 -14.949 -7.306 10.477
271 1HG PRO 40 1HG PRO 40 -12.267 -8.628 10.332
272 2HG PRO 40 2HG PRO 40 -13.843 -9.237 9.799
273 1HD PRO 40 1HD PRO 40 -12.011 -8.139 8.105
274 2HD PRO 40 2HD PRO 40 -13.762 -8.076 7.822
275 H LEU 41 H LEU 41 -13.237 -4.785 12.320
276 HA LEU 41 HA LEU 41 -10.511 -5.315 13.004
277 1HB LEU 41 1HB LEU 41 -9.797 -2.936 13.068
278 2HB LEU 41 2HB LEU 41 -10.028 -3.569 11.450
279 HG LEU 41 HG LEU 41 -12.489 -2.441 12.077
280 1HD1 LEU 41 1HD1 LEU 41 -10.232 -0.784 13.176
281 2HD1 LEU 41 2HD1 LEU 41 -11.778 -0.093 12.682
282 3HD1 LEU 41 3HD1 LEU 41 -11.719 -1.281 13.984
283 1HD2 LEU 41 1HD2 LEU 41 -10.679 -2.359 10.055
284 2HD2 LEU 41 2HD2 LEU 41 -12.136 -1.368 10.136
285 3HD2 LEU 41 3HD2 LEU 41 -10.589 -0.707 10.665
286 H ARG 42 H ARG 42 -13.571 -3.793 13.626
287 HA ARG 42 HA ARG 42 -13.267 -2.566 16.038
288 1HB ARG 42 1HB ARG 42 -15.611 -3.734 16.528
289 2HB ARG 42 2HB ARG 42 -15.440 -2.437 15.354
290 1HG ARG 42 1HG ARG 42 -16.164 -3.752 13.729
291 2HG ARG 42 2HG ARG 42 -14.921 -4.953 14.088
292 1HD ARG 42 1HD ARG 42 -16.339 -6.259 15.246
293 2HD ARG 42 2HD ARG 42 -17.155 -4.886 15.989
294 HE ARG 42 HE ARG 42 -18.196 -4.676 13.628
295 1HH1 ARG 42 1HH1 ARG 42 -17.434 -7.648 15.282
296 2HH1 ARG 42 2HH1 ARG 42 -18.680 -8.554 14.494
297 1HH2 ARG 42 1HH2 ARG 42 -19.844 -5.863 12.591
298 2HH2 ARG 42 2HH2 ARG 42 -20.049 -7.541 12.966
299 H SER 43 H SER 43 -14.305 -3.589 18.178
300 HA SER 43 HA SER 43 -12.799 -6.068 18.704
301 1HB SER 43 1HB SER 43 -12.363 -5.273 20.951
302 2HB SER 43 2HB SER 43 -11.845 -4.043 19.799
303 HG SER 43 HG SER 43 -13.270 -3.505 21.764
304 H LYS 44 H LYS 44 -14.769 -4.650 21.170
305 HA LYS 44 HA LYS 44 -16.891 -6.621 20.663
306 1HB LYS 44 1HB LYS 44 -15.152 -7.268 22.471
307 2HB LYS 44 2HB LYS 44 -15.935 -6.036 23.451
308 1HG LYS 44 1HG LYS 44 -17.712 -7.324 23.870
309 2HG LYS 44 2HG LYS 44 -17.796 -7.918 22.210
310 1HD LYS 44 1HD LYS 44 -15.785 -8.858 24.253
311 2HD LYS 44 2HD LYS 44 -17.304 -9.684 23.898
312 1HE LYS 44 1HE LYS 44 -16.629 -10.212 21.708
313 2HE LYS 44 2HE LYS 44 -15.297 -9.057 21.755
314 1HZ LYS 44 1HZ LYS 44 -14.835 -10.806 23.829
315 2HZ LYS 44 2HZ LYS 44 -15.332 -11.784 22.542
316 3HZ LYS 44 3HZ LYS 44 -14.010 -10.744 22.353
317 H LYS 45 H LYS 45 -17.032 -3.920 19.979
318 HA LYS 45 HA LYS 45 -18.482 -2.168 20.120
319 1HB LYS 45 1HB LYS 45 -20.062 -4.141 20.644
320 2HB LYS 45 2HB LYS 45 -19.944 -3.610 22.316
321 1HG LYS 45 1HG LYS 45 -21.030 -1.599 21.884
322 2HG LYS 45 2HG LYS 45 -20.730 -1.704 20.147
323 1HD LYS 45 1HD LYS 45 -22.509 -3.600 21.673
324 2HD LYS 45 2HD LYS 45 -23.092 -2.170 20.818
325 1HE LYS 45 1HE LYS 45 -22.746 -3.089 18.763
326 2HE LYS 45 2HE LYS 45 -21.379 -4.059 19.307
327 1HZ LYS 45 1HZ LYS 45 -23.019 -5.468 20.512
328 2HZ LYS 45 2HZ LYS 45 -24.260 -4.615 19.742
329 3HZ LYS 45 3HZ LYS 45 -23.164 -5.522 18.827
330 H THR 46 H THR 46 -19.477 -0.581 21.818
331 HA THR 46 HA THR 46 -18.500 -0.397 24.414
332 HB THR 46 HB THR 46 -16.302 -0.061 23.949
333 HG1 THR 46 HG1 THR 46 -16.168 1.917 24.572
334 1HG2 THR 46 1HG2 THR 46 -17.245 0.469 21.247
335 2HG2 THR 46 2HG2 THR 46 -15.844 1.432 21.719
336 3HG2 THR 46 3HG2 THR 46 -15.775 -0.329 21.806
337 H MET 47 H MET 47 -18.159 2.274 24.813
338 HA MET 47 HA MET 47 -20.567 3.383 25.077
339 1HB MET 47 1HB MET 47 -17.878 4.431 24.831
340 2HB MET 47 2HB MET 47 -19.059 5.574 24.210
341 1HG MET 47 1HG MET 47 -20.302 5.056 26.447
342 2HG MET 47 2HG MET 47 -18.707 4.521 26.973
343 1HE MET 47 1HE MET 47 -20.914 6.832 27.650
344 2HE MET 47 2HE MET 47 -19.619 7.017 28.833
345 3HE MET 47 3HE MET 47 -20.119 8.394 27.851
346 H LEU 48 H LEU 48 -21.759 5.063 23.919
347 HA LEU 48 HA LEU 48 -22.908 4.423 21.630
348 1HB LEU 48 1HB LEU 48 -22.933 6.663 23.122
349 2HB LEU 48 2HB LEU 48 -22.131 7.280 21.690
350 HG LEU 48 HG LEU 48 -24.774 5.836 21.577
351 1HD1 LEU 48 1HD1 LEU 48 -24.430 8.205 22.874
352 2HD1 LEU 48 2HD1 LEU 48 -24.777 8.744 21.230
353 3HD1 LEU 48 3HD1 LEU 48 -25.917 7.696 22.074
354 1HD2 LEU 48 1HD2 LEU 48 -22.957 6.609 19.609
355 2HD2 LEU 48 2HD2 LEU 48 -24.633 6.110 19.376
356 3HD2 LEU 48 3HD2 LEU 48 -24.238 7.820 19.555
357 H VAL 49 H VAL 49 -22.454 4.137 19.546
358 HA VAL 49 HA VAL 49 -19.758 4.794 18.606
359 HB VAL 49 HB VAL 49 -20.448 3.341 16.621
360 1HG1 VAL 49 1HG1 VAL 49 -19.861 2.503 19.388
361 2HG1 VAL 49 2HG1 VAL 49 -20.414 1.235 18.294
362 3HG1 VAL 49 3HG1 VAL 49 -18.982 2.184 17.892
363 1HG2 VAL 49 1HG2 VAL 49 -22.943 3.523 17.798
364 2HG2 VAL 49 2HG2 VAL 49 -22.471 2.409 16.516
365 3HG2 VAL 49 3HG2 VAL 49 -22.405 1.894 18.202
366 H GLN 50 H GLN 50 -19.370 6.002 16.756
367 HA GLN 50 HA GLN 50 -21.691 7.504 15.737
368 1HB GLN 50 1HB GLN 50 -19.316 8.447 16.906
369 2HB GLN 50 2HB GLN 50 -19.164 8.786 15.187
370 1HG GLN 50 1HG GLN 50 -21.629 9.684 15.517
371 2HG GLN 50 2HG GLN 50 -21.070 9.877 17.178
372 2HE2 GLN 50 2HE2 GLN 50 -21.822 11.986 15.472
373 1HE2 GLN 50 1HE2 GLN 50 -20.430 12.967 15.185
374 H LYS 51 H LYS 51 -20.689 8.677 13.532
375 HA LYS 51 HA LYS 51 -20.244 6.383 11.772
376 1HB LYS 51 1HB LYS 51 -22.039 7.522 10.899
377 2HB LYS 51 2HB LYS 51 -21.449 9.086 11.442
378 1HG LYS 51 1HG LYS 51 -20.080 9.360 9.608
379 2HG LYS 51 2HG LYS 51 -19.995 7.628 9.284
380 1HD LYS 51 1HD LYS 51 -22.654 8.089 8.983
381 2HD LYS 51 2HD LYS 51 -21.978 9.620 8.423
382 1HE LYS 51 1HE LYS 51 -20.641 8.510 6.782
383 2HE LYS 51 2HE LYS 51 -21.053 6.927 7.439
384 1HZ LYS 51 1HZ LYS 51 -23.471 7.819 6.889
385 2HZ LYS 51 2HZ LYS 51 -22.612 8.689 5.719
386 3HZ LYS 51 3HZ LYS 51 -22.530 7.000 5.748
387 H ASN 52 H ASN 52 -18.526 6.218 10.393
388 HA ASN 52 HA ASN 52 -16.672 8.352 9.957
389 1HB ASN 52 1HB ASN 52 -15.071 6.257 11.124
390 2HB ASN 52 2HB ASN 52 -15.137 7.967 11.542
391 2HD2 ASN 52 2HD2 ASN 52 -17.315 5.176 11.835
392 1HD2 ASN 52 1HD2 ASN 52 -17.678 5.422 13.506
393 H VAL 53 H VAL 53 -16.899 7.906 7.796
394 HA VAL 53 HA VAL 53 -15.321 5.724 6.779
395 HB VAL 53 HB VAL 53 -17.381 4.511 7.076
396 1HG1 VAL 53 1HG1 VAL 53 -18.876 6.478 7.156
397 2HG1 VAL 53 2HG1 VAL 53 -18.720 6.634 5.407
398 3HG1 VAL 53 3HG1 VAL 53 -19.481 5.201 6.100
399 1HG2 VAL 53 1HG2 VAL 53 -16.051 4.793 4.656
400 2HG2 VAL 53 2HG2 VAL 53 -17.128 3.476 5.122
401 3HG2 VAL 53 3HG2 VAL 53 -17.761 4.860 4.230
402 H THR 54 H THR 54 -14.524 6.149 4.768
403 HA THR 54 HA THR 54 -14.717 8.788 3.770
404 HB THR 54 HB THR 54 -13.347 7.984 1.894
405 HG1 THR 54 HG1 THR 54 -12.922 5.849 1.629
406 1HG2 THR 54 1HG2 THR 54 -12.402 8.295 4.291
407 2HG2 THR 54 2HG2 THR 54 -12.234 6.540 4.247
408 3HG2 THR 54 3HG2 THR 54 -11.417 7.534 3.042
409 H SER 55 H SER 55 -15.244 6.002 1.668
410 HA SER 55 HA SER 55 -17.902 6.123 1.112
411 1HB SER 55 1HB SER 55 -17.877 7.598 -1.003
412 2HB SER 55 2HB SER 55 -17.910 8.417 0.558
413 HG SER 55 HG SER 55 -16.104 8.631 -1.381
414 H GLU 56 H GLU 56 -18.074 5.940 -1.645
415 HA GLU 56 HA GLU 56 -16.826 3.417 -2.097
416 1HB GLU 56 1HB GLU 56 -19.089 4.275 -2.988
417 2HB GLU 56 2HB GLU 56 -18.139 5.077 -4.233
418 1HG GLU 56 1HG GLU 56 -17.139 2.556 -4.340
419 2HG GLU 56 2HG GLU 56 -18.819 2.249 -3.901
420 H SER 57 H SER 57 -14.691 4.841 -1.614
421 HA SER 57 HA SER 57 -13.345 4.976 -4.191
422 1HB SER 57 1HB SER 57 -12.523 7.169 -3.974
423 2HB SER 57 2HB SER 57 -14.215 7.310 -3.500
424 HG SER 57 HG SER 57 -12.009 7.849 -2.068
425 H THR 58 H THR 58 -11.515 3.866 -4.043
426 HA THR 58 HA THR 58 -10.083 3.828 -1.473
427 HB THR 58 HB THR 58 -9.603 1.359 -2.760
428 HG1 THR 58 HG1 THR 58 -11.406 1.030 -3.769
429 1HG2 THR 58 1HG2 THR 58 -11.243 2.051 -0.340
430 2HG2 THR 58 2HG2 THR 58 -10.832 0.405 -0.823
431 3HG2 THR 58 3HG2 THR 58 -9.555 1.541 -0.389
432 H CYS 59 H CYS 59 -7.808 3.342 -1.630
433 HA CYS 59 HA CYS 59 -6.447 3.114 -4.085
434 1HB CYS 59 1HB CYS 59 -5.416 5.614 -3.376
435 2HB CYS 59 2HB CYS 59 -6.393 5.236 -4.790
436 H CYS 60 H CYS 60 -4.337 2.577 -3.782
437 HA CYS 60 HA CYS 60 -3.532 1.897 -1.142
438 1HB CYS 60 1HB CYS 60 -2.024 1.858 -3.760
439 2HB CYS 60 2HB CYS 60 -1.395 1.209 -2.250
440 H VAL 61 H VAL 61 -2.455 3.040 0.301
441 HA VAL 61 HA VAL 61 -0.653 5.180 -0.540
442 HB VAL 61 HB VAL 61 -2.600 6.479 -0.152
443 1HG1 VAL 61 1HG1 VAL 61 -3.450 4.393 1.412
444 2HG1 VAL 61 2HG1 VAL 61 -3.179 5.676 2.591
445 3HG1 VAL 61 3HG1 VAL 61 -4.271 5.944 1.234
446 1HG2 VAL 61 1HG2 VAL 61 -0.332 6.700 1.479
447 2HG2 VAL 61 2HG2 VAL 61 -1.488 7.967 1.070
448 3HG2 VAL 61 3HG2 VAL 61 -1.714 7.005 2.530
449 H ALA 62 H ALA 62 0.586 3.158 0.173
450 HA ALA 62 HA ALA 62 1.340 1.787 1.991
451 1HB ALA 62 1HB ALA 62 2.806 4.243 1.368
452 2HB ALA 62 2HB ALA 62 3.347 2.566 1.395
453 3HB ALA 62 3HB ALA 62 3.250 3.484 2.897
454 H LYS 63 H LYS 63 0.203 1.324 3.747
455 HA LYS 63 HA LYS 63 -0.953 3.079 5.572
456 1HB LYS 63 1HB LYS 63 -1.174 0.499 5.325
457 2HB LYS 63 2HB LYS 63 0.217 0.430 6.398
458 1HG LYS 63 1HG LYS 63 -0.983 1.507 8.151
459 2HG LYS 63 2HG LYS 63 -2.333 1.873 7.076
460 1HD LYS 63 1HD LYS 63 -2.613 -0.612 6.771
461 2HD LYS 63 2HD LYS 63 -1.446 -0.824 8.079
462 1HE LYS 63 1HE LYS 63 -2.916 0.512 9.554
463 2HE LYS 63 2HE LYS 63 -4.094 0.615 8.247
464 1HZ LYS 63 1HZ LYS 63 -3.454 -2.075 8.593
465 2HZ LYS 63 2HZ LYS 63 -3.751 -1.437 10.132
466 3HZ LYS 63 3HZ LYS 63 -4.924 -1.304 8.922
467 H SER 64 H SER 64 2.229 1.730 5.309
468 HA SER 64 HA SER 64 3.263 3.682 7.209
469 1HB SER 64 1HB SER 64 4.184 0.797 7.221
470 2HB SER 64 2HB SER 64 4.621 2.070 8.360
471 HG SER 64 HG SER 64 1.968 1.834 8.317
472 H TYR 65 H TYR 65 5.661 3.913 6.924
473 HA TYR 65 HA TYR 65 6.601 2.989 4.311
474 1HB TYR 65 1HB TYR 65 7.487 5.489 4.137
475 2HB TYR 65 2HB TYR 65 5.922 4.997 3.501
476 HD1 TYR 65 HD1 TYR 65 3.848 5.550 4.747
477 HD2 TYR 65 HD2 TYR 65 7.659 6.990 5.980
478 HE1 TYR 65 HE1 TYR 65 2.750 7.238 6.162
479 HE2 TYR 65 HE2 TYR 65 6.569 8.678 7.399
480 HH TYR 65 HH TYR 65 4.642 9.578 8.046
481 H ASN 66 H ASN 66 8.880 3.333 3.955
482 HA ASN 66 HA ASN 66 10.345 3.818 6.479
483 1HB ASN 66 1HB ASN 66 10.290 1.370 5.074
484 2HB ASN 66 2HB ASN 66 11.866 2.083 4.761
485 2HD2 ASN 66 2HD2 ASN 66 13.371 1.506 6.133
486 1HD2 ASN 66 1HD2 ASN 66 13.137 1.077 7.791
487 H ARG 67 H ARG 67 9.496 5.325 4.292
488 HA ARG 67 HA ARG 67 10.491 6.372 2.322
489 1HB ARG 67 1HB ARG 67 9.856 7.591 4.695
490 2HB ARG 67 2HB ARG 67 11.450 8.232 4.333
491 1HG ARG 67 1HG ARG 67 10.473 8.709 1.995
492 2HG ARG 67 2HG ARG 67 8.909 8.508 2.791
493 1HD ARG 67 1HD ARG 67 9.761 10.182 4.514
494 2HD ARG 67 2HD ARG 67 11.054 10.531 3.370
495 HE ARG 67 HE ARG 67 8.777 10.802 1.903
496 1HH1 ARG 67 1HH1 ARG 67 9.930 12.160 4.896
497 2HH1 ARG 67 2HH1 ARG 67 9.101 13.665 4.684
498 1HH2 ARG 67 1HH2 ARG 67 7.674 12.780 1.616
499 2HH2 ARG 67 2HH2 ARG 67 7.817 14.017 2.820
500 H VAL 68 H VAL 68 12.188 6.277 1.144
501 HA VAL 68 HA VAL 68 14.838 6.414 2.391
502 HB VAL 68 HB VAL 68 15.729 4.674 1.127
503 1HG1 VAL 68 1HG1 VAL 68 13.523 4.098 2.641
504 2HG1 VAL 68 2HG1 VAL 68 13.163 3.289 1.117
505 3HG1 VAL 68 3HG1 VAL 68 14.652 2.914 1.982
506 1HG2 VAL 68 1HG2 VAL 68 14.015 5.609 -0.910
507 2HG2 VAL 68 2HG2 VAL 68 15.306 4.418 -1.041
508 3HG2 VAL 68 3HG2 VAL 68 13.657 3.902 -0.695
509 H THR 69 H THR 69 13.464 8.572 1.358
510 HA THR 69 HA THR 69 13.495 9.517 -1.050
511 HB THR 69 HB THR 69 15.106 10.812 1.148
512 HG1 THR 69 HG1 THR 69 12.700 11.861 0.317
513 1HG2 THR 69 1HG2 THR 69 15.043 11.532 -1.570
514 2HG2 THR 69 2HG2 THR 69 14.030 12.687 -0.705
515 3HG2 THR 69 3HG2 THR 69 15.707 12.445 -0.215
516 H VAL 70 H VAL 70 14.630 9.187 -2.814
517 HA VAL 70 HA VAL 70 17.540 8.820 -2.551
518 HB VAL 70 HB VAL 70 16.384 7.672 -4.960
519 1HG1 VAL 70 1HG1 VAL 70 18.492 7.172 -3.016
520 2HG1 VAL 70 2HG1 VAL 70 17.690 5.699 -3.562
521 3HG1 VAL 70 3HG1 VAL 70 18.423 6.793 -4.736
522 1HG2 VAL 70 1HG2 VAL 70 15.312 6.903 -2.299
523 2HG2 VAL 70 2HG2 VAL 70 14.520 6.935 -3.868
524 3HG2 VAL 70 3HG2 VAL 70 15.633 5.626 -3.469
525 H MET 71 H MET 71 18.271 8.711 -5.084
526 HA MET 71 HA MET 71 19.224 10.266 -6.487
527 1HB MET 71 1HB MET 71 16.354 10.531 -7.332
528 2HB MET 71 2HB MET 71 17.786 10.679 -8.341
529 1HG MET 71 1HG MET 71 16.981 8.162 -6.936
530 2HG MET 71 2HG MET 71 16.519 8.560 -8.588
531 1HE MET 71 1HE MET 71 18.165 9.090 -10.445
532 2HE MET 71 2HE MET 71 19.445 9.981 -9.625
533 3HE MET 71 3HE MET 71 19.830 8.517 -10.530
534 H GLY 72 H GLY 72 17.047 12.261 -7.568
535 1HA GLY 72 1HA GLY 72 16.681 14.494 -7.380
536 2HA GLY 72 2HA GLY 72 18.133 14.552 -6.394
537 H GLY 73 H GLY 73 16.127 12.405 -4.907
538 1HA GLY 73 1HA GLY 73 14.939 14.525 -3.236
539 2HA GLY 73 2HA GLY 73 15.590 13.030 -2.578
540 H PHE 74 H PHE 74 14.519 11.287 -4.590
541 HA PHE 74 HA PHE 74 11.725 11.610 -4.884
542 1HB PHE 74 1HB PHE 74 13.484 9.152 -4.975
543 2HB PHE 74 2HB PHE 74 11.763 9.126 -5.350
544 HD1 PHE 74 HD1 PHE 74 11.236 11.365 -6.970
545 HD2 PHE 74 HD2 PHE 74 14.749 8.964 -6.877
546 HE1 PHE 74 HE1 PHE 74 11.731 12.005 -9.293
547 HE2 PHE 74 HE2 PHE 74 15.248 9.603 -9.202
548 HZ PHE 74 HZ PHE 74 13.739 11.124 -10.411
549 H LYS 75 H LYS 75 10.325 9.586 -3.941
550 HA LYS 75 HA LYS 75 10.978 9.095 -1.161
551 1HB LYS 75 1HB LYS 75 8.519 10.681 -1.897
552 2HB LYS 75 2HB LYS 75 8.892 10.065 -0.293
553 1HG LYS 75 1HG LYS 75 9.733 12.111 0.032
554 2HG LYS 75 2HG LYS 75 11.135 11.477 -0.829
555 1HD LYS 75 1HD LYS 75 10.844 13.154 -2.276
556 2HD LYS 75 2HD LYS 75 9.422 12.281 -2.847
557 1HE LYS 75 1HE LYS 75 7.999 13.506 -1.348
558 2HE LYS 75 2HE LYS 75 9.393 14.277 -0.589
559 1HZ LYS 75 1HZ LYS 75 9.324 14.680 -3.421
560 2HZ LYS 75 2HZ LYS 75 7.934 15.276 -2.662
561 3HZ LYS 75 3HZ LYS 75 9.461 15.815 -2.176
562 H VAL 76 H VAL 76 10.861 6.922 -1.521
563 HA VAL 76 HA VAL 76 8.428 5.740 -2.596
564 HB VAL 76 HB VAL 76 9.712 3.508 -2.211
565 1HG1 VAL 76 1HG1 VAL 76 10.715 5.754 -3.992
566 2HG1 VAL 76 2HG1 VAL 76 11.509 4.181 -3.987
567 3HG1 VAL 76 3HG1 VAL 76 9.809 4.310 -4.431
568 1HG2 VAL 76 1HG2 VAL 76 11.270 5.411 -0.726
569 2HG2 VAL 76 2HG2 VAL 76 12.288 4.782 -2.015
570 3HG2 VAL 76 3HG2 VAL 76 11.516 3.677 -0.875
571 H GLU 77 H GLU 77 8.897 7.140 -0.002
572 HA GLU 77 HA GLU 77 8.732 6.640 2.322
573 1HB GLU 77 1HB GLU 77 6.082 5.566 2.032
574 2HB GLU 77 2HB GLU 77 6.551 7.172 2.572
575 1HG GLU 77 1HG GLU 77 6.679 6.760 -0.330
576 2HG GLU 77 2HG GLU 77 5.067 6.638 0.370
577 H ASN 78 H ASN 78 10.142 4.685 1.174
578 HA ASN 78 HA ASN 78 10.079 2.315 0.703
579 1HB ASN 78 1HB ASN 78 11.884 2.779 2.240
580 2HB ASN 78 2HB ASN 78 10.763 2.866 3.588
581 H HIS 79 H HIS 79 7.709 2.257 0.460
582 HA HIS 79 HA HIS 79 5.910 2.048 2.408
583 1HB HIS 79 1HB HIS 79 5.959 0.422 -0.131
584 2HB HIS 79 2HB HIS 79 4.544 0.580 0.917
585 HD1 HIS 79 HD1 HIS 79 3.708 1.785 -1.526
586 HD2 HIS 79 HD2 HIS 79 6.301 3.794 1.002
587 HE1 HIS 79 HE1 HIS 79 3.620 4.212 -2.229
588 H THR 80 H THR 80 5.768 1.074 4.134
589 HA THR 80 HA THR 80 6.886 -1.638 4.384
590 HB THR 80 HB THR 80 7.489 -1.149 6.623
591 HG1 THR 80 HG1 THR 80 6.874 1.020 7.456
592 1HG2 THR 80 1HG2 THR 80 8.868 -0.002 4.837
593 2HG2 THR 80 2HG2 THR 80 7.996 1.474 5.244
594 3HG2 THR 80 3HG2 THR 80 8.985 0.672 6.461
595 H ALA 81 H ALA 81 4.033 -0.033 4.124
596 HA ALA 81 HA ALA 81 2.482 -2.275 4.893
597 1HB ALA 81 3HB ALA 81 2.879 -1.330 7.143
598 2HB ALA 81 1HB ALA 81 2.168 0.193 6.610
599 3HB ALA 81 2HB ALA 81 1.178 -1.265 6.680
600 H CYS 82 H CYS 82 1.150 -2.257 3.177
601 HA CYS 82 HA CYS 82 0.261 0.329 2.121
602 1HB CYS 82 1HB CYS 82 1.267 -1.811 0.797
603 2HB CYS 82 2HB CYS 82 -0.455 -2.157 0.680
604 H HIS 83 H HIS 83 -1.970 0.672 1.573
605 HA HIS 83 HA HIS 83 -3.976 -1.168 2.474
606 1HB HIS 83 1HB HIS 83 -4.932 0.197 4.229
607 2HB HIS 83 2HB HIS 83 -3.248 -0.150 4.613
608 HD1 HIS 83 HD1 HIS 83 -5.386 2.464 5.108
609 HD2 HIS 83 HD2 HIS 83 -1.707 2.252 3.188
610 HE1 HIS 83 HE1 HIS 83 -4.482 4.812 5.126
611 HE2 HIS 83 HE2 HIS 83 -2.225 4.647 4.016
612 H CYS 84 H CYS 84 -5.391 -1.017 0.875
613 HA CYS 84 HA CYS 84 -5.659 1.313 -0.755
614 1HB CYS 84 1HB CYS 84 -6.528 -1.429 -0.832
615 2HB CYS 84 2HB CYS 84 -7.892 -0.371 -1.174
616 H SER 85 H SER 85 -6.626 3.099 -0.053
617 HA SER 85 HA SER 85 -9.037 3.862 0.277
618 1HB SER 85 1HB SER 85 -9.874 2.016 1.514
619 2HB SER 85 2HB SER 85 -8.563 2.111 2.690
620 HG SER 85 HG SER 85 -10.585 4.071 2.313
621 H THR 86 H THR 86 -9.553 5.593 1.877
622 HA THR 86 HA THR 86 -9.009 7.375 3.208
623 HB THR 86 HB THR 86 -6.218 6.292 3.511
624 HG1 THR 86 HG1 THR 86 -8.146 5.624 5.391
625 1HG2 THR 86 1HG2 THR 86 -6.659 8.508 4.454
626 2HG2 THR 86 2HG2 THR 86 -7.969 7.825 5.417
627 3HG2 THR 86 3HG2 THR 86 -6.305 7.309 5.697
628 H CYS 87 H CYS 87 -9.190 8.231 0.919
629 HA CYS 87 HA CYS 87 -6.619 9.412 0.094
630 1HB CYS 87 1HB CYS 87 -8.880 8.289 -1.469
631 2HB CYS 87 2HB CYS 87 -8.091 9.719 -2.125
632 H TYR 88 H TYR 88 -6.463 11.578 -0.087
633 HA TYR 88 HA TYR 88 -8.717 13.168 0.844
634 1HB TYR 88 1HB TYR 88 -5.943 14.146 0.163
635 2HB TYR 88 2HB TYR 88 -7.148 14.943 1.170
636 HD1 TYR 88 HD1 TYR 88 -7.939 12.294 2.615
637 HD2 TYR 88 HD2 TYR 88 -4.221 14.219 1.865
638 HE1 TYR 88 HE1 TYR 88 -6.988 11.218 4.610
639 HE2 TYR 88 HE2 TYR 88 -3.257 13.147 3.858
640 HH TYR 88 HH TYR 88 -3.624 11.809 5.588
641 H TYR 89 H TYR 89 -9.354 12.166 -1.541
642 HA TYR 89 HA TYR 89 -9.812 14.473 -3.129
643 1HB TYR 89 1HB TYR 89 -7.394 13.801 -3.686
644 2HB TYR 89 2HB TYR 89 -8.096 12.398 -4.485
645 HD1 TYR 89 HD1 TYR 89 -9.230 15.955 -4.398
646 HD2 TYR 89 HD2 TYR 89 -7.790 12.721 -6.759
647 HE1 TYR 89 HE1 TYR 89 -9.582 17.291 -6.432
648 HE2 TYR 89 HE2 TYR 89 -8.138 14.049 -8.800
649 HH TYR 89 HH TYR 89 -8.228 16.754 -9.244
650 H HIS 90 H HIS 90 -10.644 13.551 -5.463
651 HA HIS 90 HA HIS 90 -12.086 11.054 -5.090
652 1HB HIS 90 1HB HIS 90 -14.090 11.946 -4.670
653 2HB HIS 90 2HB HIS 90 -13.312 13.517 -4.519
654 HD1 HIS 90 HD1 HIS 90 -13.528 15.142 -6.521
655 HD2 HIS 90 HD2 HIS 90 -15.514 11.530 -7.037
656 HE1 HIS 90 HE1 HIS 90 -15.040 15.485 -8.501
657 HE2 HIS 90 HE2 HIS 90 -16.196 13.269 -8.827
658 H LYS 91 H LYS 91 -11.872 9.927 -6.879
659 HA LYS 91 HA LYS 91 -11.677 9.338 -9.062
660 1HB LYS 91 1HB LYS 91 -13.398 11.686 -9.081
661 2HB LYS 91 2HB LYS 91 -12.481 11.525 -10.574
662 1HG LYS 91 1HG LYS 91 -14.147 10.183 -11.215
663 2HG LYS 91 2HG LYS 91 -13.361 8.975 -10.193
664 1HD LYS 91 1HD LYS 91 -15.197 10.829 -8.815
665 2HD LYS 91 2HD LYS 91 -15.950 9.704 -9.948
666 1HE LYS 91 1HE LYS 91 -14.908 7.826 -8.801
667 2HE LYS 91 2HE LYS 91 -14.095 8.934 -7.698
668 1HZ LYS 91 1HZ LYS 91 -16.560 9.700 -7.275
669 2HZ LYS 91 2HZ LYS 91 -16.903 8.123 -7.785
670 3HZ LYS 91 3HZ LYS 91 -15.895 8.379 -6.453
671 H SER 92 H SER 92 -9.360 9.429 -8.695
672 HA SER 92 HA SER 92 -7.710 11.605 -9.112
673 1HB SER 92 1HB SER 92 -7.213 8.692 -9.770
674 2HB SER 92 2HB SER 92 -5.957 9.930 -9.731
675 HG SER 92 HG SER 92 -5.909 9.740 -7.647
No H/Q in entry = 675
Start of MODEL 22
1 H1 ALA 1 H1 ALA 1 -11.767 -17.753 -15.797
2 H2 ALA 1 H2 ALA 1 -10.328 -17.970 -14.887
3 H3 ALA 1 H3 ALA 1 -10.739 -19.089 -16.117
4 HA ALA 1 HA ALA 1 -12.643 -19.784 -14.918
5 1HB ALA 1 1HB ALA 1 -10.703 -21.057 -14.484
6 2HB ALA 1 2HB ALA 1 -11.430 -20.735 -12.911
7 3HB ALA 1 3HB ALA 1 -10.025 -19.810 -13.438
8 HA PRO 2 HA PRO 2 -14.588 -17.348 -11.820
9 1HB PRO 2 1HB PRO 2 -14.688 -19.595 -9.919
10 2HB PRO 2 2HB PRO 2 -16.011 -18.743 -10.719
11 1HG PRO 2 1HG PRO 2 -15.336 -21.254 -11.395
12 2HG PRO 2 2HG PRO 2 -15.919 -20.087 -12.595
13 1HD PRO 2 1HD PRO 2 -13.116 -20.978 -12.022
14 2HD PRO 2 2HD PRO 2 -13.906 -20.677 -13.585
15 H ASP 3 H ASP 3 -14.573 -17.660 -9.025
16 HA ASP 3 HA ASP 3 -13.232 -16.174 -7.635
17 1HB ASP 3 1HB ASP 3 -13.428 -18.992 -7.243
18 2HB ASP 3 2HB ASP 3 -11.846 -18.464 -6.673
19 H VAL 4 H VAL 4 -11.609 -14.861 -8.146
20 HA VAL 4 HA VAL 4 -9.179 -15.977 -9.340
21 HB VAL 4 HB VAL 4 -10.123 -13.119 -9.124
22 1HG1 VAL 4 1HG1 VAL 4 -7.520 -14.290 -9.881
23 2HG1 VAL 4 2HG1 VAL 4 -8.143 -13.019 -10.933
24 3HG1 VAL 4 3HG1 VAL 4 -7.902 -12.702 -9.214
25 1HG2 VAL 4 1HG2 VAL 4 -11.387 -14.448 -10.723
26 2HG2 VAL 4 2HG2 VAL 4 -10.363 -13.280 -11.560
27 3HG2 VAL 4 3HG2 VAL 4 -9.889 -14.977 -11.490
28 H GLN 5 H GLN 5 -7.157 -15.669 -8.497
29 HA GLN 5 HA GLN 5 -6.924 -14.353 -5.884
30 1HB GLN 5 1HB GLN 5 -7.085 -17.053 -6.017
31 2HB GLN 5 2HB GLN 5 -5.353 -16.839 -6.232
32 1HG GLN 5 1HG GLN 5 -7.028 -15.897 -3.921
33 2HG GLN 5 2HG GLN 5 -5.812 -17.174 -3.912
34 2HE2 GLN 5 2HE2 GLN 5 -3.610 -16.595 -4.106
35 1HE2 GLN 5 1HE2 GLN 5 -3.066 -15.010 -3.688
36 H ASP 6 H ASP 6 -6.202 -13.423 -8.458
37 HA ASP 6 HA ASP 6 -3.598 -13.850 -9.264
38 1HB ASP 6 1HB ASP 6 -5.643 -12.115 -9.966
39 2HB ASP 6 2HB ASP 6 -4.350 -11.039 -9.445
40 H CYS 7 H CYS 7 -2.429 -11.266 -9.180
41 HA CYS 7 HA CYS 7 -0.506 -11.278 -7.428
42 1HB CYS 7 1HB CYS 7 -0.902 -8.707 -7.085
43 2HB CYS 7 2HB CYS 7 -0.508 -9.340 -8.679
44 HA PRO 8 HA PRO 8 -1.769 -11.624 -3.234
45 1HB PRO 8 1HB PRO 8 0.223 -10.068 -2.096
46 2HB PRO 8 2HB PRO 8 0.390 -11.771 -2.533
47 1HG PRO 8 1HG PRO 8 1.252 -9.333 -4.028
48 2HG PRO 8 2HG PRO 8 2.079 -10.891 -3.846
49 1HD PRO 8 1HD PRO 8 0.779 -10.253 -6.101
50 2HD PRO 8 2HD PRO 8 0.778 -11.914 -5.468
51 H GLU 9 H GLU 9 -1.316 -9.710 -1.241
52 HA GLU 9 HA GLU 9 -3.432 -7.820 -1.878
53 1HB GLU 9 1HB GLU 9 -3.834 -8.813 0.184
54 2HB GLU 9 2HB GLU 9 -2.140 -8.772 0.650
55 1HG GLU 9 1HG GLU 9 -2.313 -6.739 1.560
56 2HG GLU 9 2HG GLU 9 -3.326 -6.132 0.250
57 H CYS 10 H CYS 10 -3.167 -5.723 -2.224
58 HA CYS 10 HA CYS 10 -1.004 -4.433 -3.050
59 1HB CYS 10 1HB CYS 10 -2.857 -3.088 -3.147
60 2HB CYS 10 2HB CYS 10 -3.378 -3.500 -1.518
61 H THR 11 H THR 11 0.914 -3.742 -2.352
62 HA THR 11 HA THR 11 1.467 -2.855 0.273
63 HB THR 11 HB THR 11 1.684 -4.919 1.213
64 HG1 THR 11 HG1 THR 11 4.128 -5.325 0.022
65 1HG2 THR 11 1HG2 THR 11 1.444 -5.884 -1.371
66 2HG2 THR 11 2HG2 THR 11 2.987 -6.509 -0.792
67 3HG2 THR 11 3HG2 THR 11 1.512 -6.830 0.117
68 H LEU 12 H LEU 12 4.156 -3.535 0.345
69 HA LEU 12 HA LEU 12 5.200 -1.572 -1.441
70 1HB LEU 12 1HB LEU 12 6.293 -3.352 0.668
71 2HB LEU 12 2HB LEU 12 7.394 -2.541 -0.424
72 HG LEU 12 HG LEU 12 5.771 -0.471 0.443
73 1HD1 LEU 12 1HD1 LEU 12 5.037 -2.369 2.143
74 2HD1 LEU 12 2HD1 LEU 12 6.536 -1.897 2.942
75 3HD1 LEU 12 3HD1 LEU 12 5.272 -0.699 2.662
76 1HD2 LEU 12 1HD2 LEU 12 8.416 -1.175 0.325
77 2HD2 LEU 12 2HD2 LEU 12 7.767 0.352 0.913
78 3HD2 LEU 12 3HD2 LEU 12 8.142 -0.943 2.051
79 H GLN 13 H GLN 13 6.320 -1.787 -3.262
80 HA GLN 13 HA GLN 13 7.034 -4.497 -4.111
81 1HB GLN 13 1HB GLN 13 5.977 -2.242 -5.770
82 2HB GLN 13 2HB GLN 13 6.706 -3.696 -6.443
83 1HG GLN 13 1HG GLN 13 4.854 -4.706 -4.709
84 2HG GLN 13 2HG GLN 13 4.048 -3.272 -5.345
85 2HE2 GLN 13 2HE2 GLN 13 3.169 -5.880 -5.798
86 1HE2 GLN 13 1HE2 GLN 13 3.317 -6.229 -7.483
87 H GLU 14 H GLU 14 8.733 -3.342 -2.724
88 HA GLU 14 HA GLU 14 10.542 -1.668 -2.839
89 1HB GLU 14 1HB GLU 14 11.220 -3.824 -2.005
90 2HB GLU 14 2HB GLU 14 11.395 -4.439 -3.642
91 1HG GLU 14 1HG GLU 14 13.051 -2.345 -3.802
92 2HG GLU 14 2HG GLU 14 13.178 -2.674 -2.074
93 H ASN 15 H ASN 15 11.449 -0.312 -4.063
94 HA ASN 15 HA ASN 15 11.040 -0.174 -6.799
95 1HB ASN 15 1HB ASN 15 11.924 1.549 -4.862
96 2HB ASN 15 2HB ASN 15 13.309 1.382 -5.937
97 2HD2 ASN 15 2HD2 ASN 15 9.924 2.182 -5.772
98 1HD2 ASN 15 1HD2 ASN 15 9.884 3.151 -7.201
99 HA PRO 16 HA PRO 16 14.497 -2.833 -7.911
100 1HB PRO 16 1HB PRO 16 13.284 -3.073 -10.509
101 2HB PRO 16 2HB PRO 16 13.385 -4.302 -9.248
102 1HG PRO 16 1HG PRO 16 11.044 -3.114 -10.088
103 2HG PRO 16 2HG PRO 16 11.271 -3.883 -8.509
104 1HD PRO 16 1HD PRO 16 11.329 -0.982 -9.236
105 2HD PRO 16 2HD PRO 16 10.684 -1.769 -7.778
106 H PHE 17 H PHE 17 13.694 0.155 -8.430
107 HA PHE 17 HA PHE 17 15.454 0.701 -10.705
108 1HB PHE 17 1HB PHE 17 12.978 1.562 -10.411
109 2HB PHE 17 2HB PHE 17 13.738 2.763 -9.372
110 HD1 PHE 17 HD1 PHE 17 16.112 3.580 -10.603
111 HD2 PHE 17 HD2 PHE 17 12.469 2.400 -12.452
112 HE1 PHE 17 HE1 PHE 17 16.696 4.912 -12.595
113 HE2 PHE 17 HE2 PHE 17 13.042 3.725 -14.448
114 HZ PHE 17 HZ PHE 17 15.158 4.985 -14.520
115 H PHE 18 H PHE 18 14.563 2.200 -7.620
116 HA PHE 18 HA PHE 18 17.080 3.581 -7.430
117 1HB PHE 18 1HB PHE 18 15.044 3.405 -5.235
118 2HB PHE 18 2HB PHE 18 16.122 4.737 -5.636
119 HD1 PHE 18 HD1 PHE 18 15.737 5.431 -8.279
120 HD2 PHE 18 HD2 PHE 18 12.835 3.899 -5.584
121 HE1 PHE 18 HE1 PHE 18 13.956 6.492 -9.605
122 HE2 PHE 18 HE2 PHE 18 11.046 4.960 -6.901
123 HZ PHE 18 HZ PHE 18 11.607 6.259 -8.914
124 H SER 19 H SER 19 16.197 0.473 -6.759
125 HA SER 19 HA SER 19 17.263 -0.023 -4.228
126 1HB SER 19 1HB SER 19 17.325 -2.333 -4.839
127 2HB SER 19 2HB SER 19 15.927 -1.632 -5.653
128 HG SER 19 HG SER 19 16.827 -2.022 -7.515
129 H GLN 20 H GLN 20 19.144 1.153 -3.929
130 HA GLN 20 HA GLN 20 21.426 0.656 -5.656
131 1HB GLN 20 1HB GLN 20 22.048 2.700 -4.981
132 2HB GLN 20 2HB GLN 20 20.576 2.792 -4.028
133 1HG GLN 20 1HG GLN 20 21.816 1.697 -2.157
134 2HG GLN 20 2HG GLN 20 23.284 1.859 -3.118
135 2HE2 GLN 20 2HE2 GLN 20 20.617 3.713 -1.735
136 1HE2 GLN 20 1HE2 GLN 20 21.524 5.158 -1.465
137 HA PRO 21 HA PRO 21 23.472 -2.382 -3.224
138 1HB PRO 21 1HB PRO 21 25.958 -1.293 -2.756
139 2HB PRO 21 2HB PRO 21 25.479 -2.060 -4.274
140 1HG PRO 21 1HG PRO 21 25.575 0.844 -3.564
141 2HG PRO 21 2HG PRO 21 26.053 0.042 -5.071
142 1HD PRO 21 1HD PRO 21 23.718 1.355 -4.855
143 2HD PRO 21 2HD PRO 21 23.869 -0.125 -5.824
144 H GLY 22 H GLY 22 21.768 -1.173 -1.639
145 1HA GLY 22 1HA GLY 22 23.058 0.095 0.615
146 2HA GLY 22 2HA GLY 22 22.502 -1.542 0.923
147 H ALA 23 H ALA 23 20.631 0.232 -1.339
148 HA ALA 23 HA ALA 23 18.475 0.388 0.623
149 1HB ALA 23 2HB ALA 23 18.552 2.587 0.867
150 2HB ALA 23 1HB ALA 23 20.004 2.637 -0.131
151 3HB ALA 23 3HB ALA 23 18.417 2.809 -0.880
152 HA PRO 24 HA PRO 24 16.405 -0.868 -3.103
153 1HB PRO 24 1HB PRO 24 15.063 -2.827 -1.913
154 2HB PRO 24 2HB PRO 24 16.807 -2.952 -2.158
155 1HG PRO 24 1HG PRO 24 15.293 -2.496 0.335
156 2HG PRO 24 2HG PRO 24 16.912 -3.178 0.110
157 1HD PRO 24 1HD PRO 24 16.166 -0.467 0.769
158 2HD PRO 24 2HD PRO 24 17.785 -1.185 0.676
159 H ILE 25 H ILE 25 15.341 1.303 -2.929
160 HA ILE 25 HA ILE 25 13.276 2.126 -1.490
161 HB ILE 25 HB ILE 25 13.690 2.323 -4.472
162 1HG1 ILE 25 1HG1 ILE 25 15.447 3.365 -3.370
163 2HG1 ILE 25 2HG1 ILE 25 14.293 4.688 -3.556
164 1HG2 ILE 25 1HG2 ILE 25 11.643 3.557 -2.667
165 2HG2 ILE 25 2HG2 ILE 25 12.238 4.442 -4.068
166 3HG2 ILE 25 3HG2 ILE 25 11.427 2.895 -4.282
167 1HD1 ILE 25 1HD1 ILE 25 13.437 4.161 -1.282
168 2HD1 ILE 25 2HD1 ILE 25 14.761 3.010 -1.114
169 3HD1 ILE 25 3HD1 ILE 25 15.109 4.725 -1.320
170 H LEU 26 H LEU 26 10.954 2.453 -2.617
171 HA LEU 26 HA LEU 26 9.802 -0.105 -3.327
172 1HB LEU 26 1HB LEU 26 8.446 1.225 -1.150
173 2HB LEU 26 2HB LEU 26 8.883 -0.470 -1.330
174 HG LEU 26 HG LEU 26 11.017 1.483 -0.831
175 1HD1 LEU 26 1HD1 LEU 26 8.879 1.614 0.804
176 2HD1 LEU 26 2HD1 LEU 26 9.846 0.383 1.610
177 3HD1 LEU 26 3HD1 LEU 26 10.534 1.973 1.295
178 1HD2 LEU 26 1HD2 LEU 26 11.035 -1.174 -1.138
179 2HD2 LEU 26 2HD2 LEU 26 12.229 -0.303 -0.176
180 3HD2 LEU 26 3HD2 LEU 26 10.857 -1.079 0.613
181 H GLN 27 H GLN 27 7.305 0.414 -2.613
182 HA GLN 27 HA GLN 27 6.025 2.724 -3.149
183 1HB GLN 27 1HB GLN 27 7.109 3.102 -5.205
184 2HB GLN 27 2HB GLN 27 6.907 1.434 -5.718
185 1HG GLN 27 1HG GLN 27 4.366 2.000 -5.621
186 2HG GLN 27 2HG GLN 27 4.931 3.667 -5.707
187 2HE2 GLN 27 2HE2 GLN 27 3.393 2.066 -7.628
188 1HE2 GLN 27 1HE2 GLN 27 4.295 2.109 -9.100
189 H CYS 28 H CYS 28 4.825 1.377 -1.690
190 HA CYS 28 HA CYS 28 3.600 -0.909 -1.782
191 1HB CYS 28 1HB CYS 28 2.060 1.663 -1.401
192 2HB CYS 28 2HB CYS 28 1.503 0.071 -0.903
193 H MET 29 H MET 29 3.205 -2.002 -3.659
194 HA MET 29 HA MET 29 1.004 -0.987 -5.316
195 1HB MET 29 1HB MET 29 3.764 -1.496 -6.155
196 2HB MET 29 2HB MET 29 2.570 -2.328 -7.141
197 1HG MET 29 1HG MET 29 2.318 0.591 -6.530
198 2HG MET 29 2HG MET 29 3.331 0.012 -7.852
199 1HE MET 29 1HE MET 29 1.081 2.003 -7.779
200 2HE MET 29 2HE MET 29 -0.134 1.644 -9.006
201 3HE MET 29 3HE MET 29 -0.453 1.272 -7.312
202 H GLY 30 H GLY 30 -0.333 -2.563 -6.214
203 1HA GLY 30 1HA GLY 30 -0.346 -5.073 -4.803
204 2HA GLY 30 2HA GLY 30 0.036 -5.244 -6.509
205 H CYS 31 H CYS 31 -2.270 -6.245 -5.030
206 HA CYS 31 HA CYS 31 -4.495 -4.645 -6.014
207 1HB CYS 31 1HB CYS 31 -5.466 -6.479 -7.295
208 2HB CYS 31 2HB CYS 31 -3.872 -6.076 -7.926
209 H CYS 32 H CYS 32 -4.818 -4.474 -3.703
210 HA CYS 32 HA CYS 32 -5.078 -6.342 -1.794
211 1HB CYS 32 1HB CYS 32 -6.310 -3.779 -2.308
212 2HB CYS 32 2HB CYS 32 -7.439 -4.853 -1.489
213 H PHE 33 H PHE 33 -8.157 -5.344 -3.186
214 HA PHE 33 HA PHE 33 -8.843 -7.965 -4.119
215 1HB PHE 33 1HB PHE 33 -10.361 -6.949 -1.715
216 2HB PHE 33 2HB PHE 33 -10.557 -8.498 -2.528
217 HD1 PHE 33 HD1 PHE 33 -8.706 -10.185 -2.386
218 HD2 PHE 33 HD2 PHE 33 -8.785 -6.662 0.000
219 HE1 PHE 33 HE1 PHE 33 -7.083 -11.199 -0.840
220 HE2 PHE 33 HE2 PHE 33 -7.162 -7.669 1.549
221 HZ PHE 33 HZ PHE 33 -6.311 -9.941 1.132
222 H SER 34 H SER 34 -9.923 -4.749 -3.154
223 HA SER 34 HA SER 34 -11.947 -4.842 -5.292
224 1HB SER 34 1HB SER 34 -12.260 -2.566 -3.555
225 2HB SER 34 2HB SER 34 -13.385 -3.889 -3.862
226 HG SER 34 HG SER 34 -12.157 -5.105 -2.290
227 H ARG 35 H ARG 35 -11.383 -3.809 -7.086
228 HA ARG 35 HA ARG 35 -9.659 -1.431 -6.855
229 1HB ARG 35 1HB ARG 35 -8.646 -1.962 -8.955
230 2HB ARG 35 2HB ARG 35 -8.573 -3.399 -7.948
231 1HG ARG 35 1HG ARG 35 -10.817 -3.040 -9.886
232 2HG ARG 35 2HG ARG 35 -9.241 -3.608 -10.439
233 1HD ARG 35 1HD ARG 35 -9.442 -5.333 -8.532
234 2HD ARG 35 2HD ARG 35 -11.153 -4.909 -8.529
235 HE ARG 35 HE ARG 35 -10.033 -5.651 -11.101
236 1HH1 ARG 35 1HH1 ARG 35 -11.751 -6.678 -8.248
237 2HH1 ARG 35 2HH1 ARG 35 -12.468 -8.052 -9.018
238 1HH2 ARG 35 1HH2 ARG 35 -10.973 -7.461 -12.123
239 2HH2 ARG 35 2HH2 ARG 35 -12.026 -8.499 -11.221
240 H ALA 36 H ALA 36 -9.875 -0.634 -9.545
241 HA ALA 36 HA ALA 36 -11.124 0.886 -10.715
242 1HB ALA 36 1HB ALA 36 -12.544 -1.669 -10.680
243 2HB ALA 36 2HB ALA 36 -12.117 -0.624 -12.034
244 3HB ALA 36 3HB ALA 36 -13.561 -0.285 -11.082
245 H TYR 37 H TYR 37 -13.645 1.717 -10.829
246 HA TYR 37 HA TYR 37 -14.129 2.747 -8.123
247 1HB TYR 37 1HB TYR 37 -14.924 4.707 -9.057
248 2HB TYR 37 2HB TYR 37 -13.719 4.233 -10.250
249 HD1 TYR 37 HD1 TYR 37 -14.932 2.337 -11.951
250 HD2 TYR 37 HD2 TYR 37 -16.756 5.684 -10.064
251 HE1 TYR 37 HE1 TYR 37 -16.641 2.391 -13.715
252 HE2 TYR 37 HE2 TYR 37 -18.472 5.748 -11.824
253 HH TYR 37 HH TYR 37 -19.455 3.805 -13.507
254 HA PRO 38 HA PRO 38 -17.708 0.107 -7.904
255 1HB PRO 38 1HB PRO 38 -18.821 1.332 -5.714
256 2HB PRO 38 2HB PRO 38 -17.525 0.133 -5.628
257 1HG PRO 38 1HG PRO 38 -17.358 3.118 -5.515
258 2HG PRO 38 2HG PRO 38 -16.488 1.909 -4.552
259 1HD PRO 38 1HD PRO 38 -15.324 3.169 -6.623
260 2HD PRO 38 2HD PRO 38 -14.966 1.471 -6.245
261 H THR 39 H THR 39 -20.153 0.552 -7.468
262 HA THR 39 HA THR 39 -20.934 2.897 -9.073
263 HB THR 39 HB THR 39 -22.182 1.572 -10.370
264 HG1 THR 39 HG1 THR 39 -23.906 0.608 -9.566
265 1HG2 THR 39 1HG2 THR 39 -20.199 -0.017 -9.661
266 2HG2 THR 39 2HG2 THR 39 -21.521 -0.939 -8.947
267 3HG2 THR 39 3HG2 THR 39 -21.531 -0.578 -10.672
268 HA PRO 40 HA PRO 40 -23.063 3.725 -5.181
269 1HB PRO 40 1HB PRO 40 -22.780 6.453 -5.403
270 2HB PRO 40 2HB PRO 40 -21.602 5.381 -4.647
271 1HG PRO 40 1HG PRO 40 -21.370 6.864 -7.115
272 2HG PRO 40 2HG PRO 40 -20.138 5.913 -6.276
273 1HD PRO 40 1HD PRO 40 -21.760 5.203 -8.600
274 2HD PRO 40 2HD PRO 40 -20.309 4.407 -7.957
275 H LEU 41 H LEU 41 -24.551 6.034 -4.945
276 HA LEU 41 HA LEU 41 -26.638 5.595 -6.970
277 1HB LEU 41 1HB LEU 41 -26.807 6.598 -4.130
278 2HB LEU 41 2HB LEU 41 -28.159 6.614 -5.246
279 HG LEU 41 HG LEU 41 -26.820 4.003 -4.887
280 1HD1 LEU 41 1HD1 LEU 41 -27.829 5.557 -2.636
281 2HD1 LEU 41 2HD1 LEU 41 -28.609 3.984 -2.810
282 3HD1 LEU 41 3HD1 LEU 41 -26.855 4.087 -2.657
283 1HD2 LEU 41 1HD2 LEU 41 -29.148 4.933 -6.031
284 2HD2 LEU 41 2HD2 LEU 41 -28.770 3.249 -5.666
285 3HD2 LEU 41 3HD2 LEU 41 -29.696 4.215 -4.517
286 H ARG 42 H ARG 42 -24.302 7.399 -7.220
287 HA ARG 42 HA ARG 42 -23.841 9.477 -8.035
288 1HB ARG 42 1HB ARG 42 -26.833 9.760 -8.335
289 2HB ARG 42 2HB ARG 42 -25.596 10.674 -9.189
290 1HG ARG 42 1HG ARG 42 -26.037 9.179 -10.809
291 2HG ARG 42 2HG ARG 42 -24.878 8.202 -9.907
292 1HD ARG 42 1HD ARG 42 -26.601 6.983 -8.834
293 2HD ARG 42 2HD ARG 42 -27.838 8.116 -9.376
294 HE ARG 42 HE ARG 42 -26.421 6.782 -11.505
295 1HH1 ARG 42 1HH1 ARG 42 -29.141 6.677 -9.332
296 2HH1 ARG 42 2HH1 ARG 42 -30.062 5.603 -10.332
297 1HH2 ARG 42 1HH2 ARG 42 -27.628 5.371 -12.831
298 2HH2 ARG 42 2HH2 ARG 42 -29.203 4.862 -12.320
299 H SER 43 H SER 43 -26.986 10.128 -6.531
300 HA SER 43 HA SER 43 -27.635 11.664 -4.986
301 1HB SER 43 1HB SER 43 -25.729 9.958 -3.832
302 2HB SER 43 2HB SER 43 -25.304 11.579 -3.281
303 HG SER 43 HG SER 43 -27.948 11.303 -3.140
304 H LYS 44 H LYS 44 -26.004 13.305 -3.295
305 HA LYS 44 HA LYS 44 -24.674 15.192 -3.296
306 1HB LYS 44 1HB LYS 44 -23.696 14.008 -5.509
307 2HB LYS 44 2HB LYS 44 -24.482 15.398 -6.246
308 1HG LYS 44 1HG LYS 44 -22.152 15.872 -5.793
309 2HG LYS 44 2HG LYS 44 -23.195 16.892 -4.800
310 1HD LYS 44 1HD LYS 44 -22.890 15.222 -2.946
311 2HD LYS 44 2HD LYS 44 -21.667 14.439 -3.946
312 1HE LYS 44 1HE LYS 44 -21.197 17.277 -3.797
313 2HE LYS 44 2HE LYS 44 -21.312 16.581 -2.181
314 1HZ LYS 44 1HZ LYS 44 -19.761 14.816 -3.572
315 2HZ LYS 44 2HZ LYS 44 -19.231 16.328 -4.118
316 3HZ LYS 44 3HZ LYS 44 -19.210 15.971 -2.465
317 H LYS 45 H LYS 45 -27.192 15.482 -2.897
318 HA LYS 45 HA LYS 45 -28.662 16.972 -4.815
319 1HB LYS 45 1HB LYS 45 -29.305 17.376 -1.955
320 2HB LYS 45 2HB LYS 45 -30.358 16.965 -3.300
321 1HG LYS 45 1HG LYS 45 -29.870 14.683 -3.132
322 2HG LYS 45 2HG LYS 45 -28.449 14.971 -2.130
323 1HD LYS 45 1HD LYS 45 -29.932 14.309 -0.524
324 2HD LYS 45 2HD LYS 45 -30.228 16.048 -0.512
325 1HE LYS 45 1HE LYS 45 -31.828 14.597 -2.477
326 2HE LYS 45 2HE LYS 45 -32.137 14.104 -0.814
327 1HZ LYS 45 1HZ LYS 45 -32.090 16.955 -1.581
328 2HZ LYS 45 2HZ LYS 45 -33.492 16.026 -1.758
329 3HZ LYS 45 3HZ LYS 45 -32.805 16.238 -0.226
330 H THR 46 H THR 46 -29.648 19.075 -3.150
331 HA THR 46 HA THR 46 -27.395 20.941 -3.394
332 HB THR 46 HB THR 46 -29.916 22.247 -2.939
333 HG1 THR 46 HG1 THR 46 -31.093 21.469 -4.615
334 1HG2 THR 46 1HG2 THR 46 -27.780 22.268 -4.964
335 2HG2 THR 46 2HG2 THR 46 -29.370 22.824 -5.485
336 3HG2 THR 46 3HG2 THR 46 -28.567 23.602 -4.121
337 H MET 47 H MET 47 -26.546 20.221 -1.323
338 HA MET 47 HA MET 47 -27.340 21.928 0.797
339 1HB MET 47 1HB MET 47 -28.838 19.604 0.669
340 2HB MET 47 2HB MET 47 -27.603 19.224 1.861
341 1HG MET 47 1HG MET 47 -28.912 21.844 2.156
342 2HG MET 47 2HG MET 47 -29.929 20.434 2.439
343 1HE MET 47 1HE MET 47 -29.691 22.404 4.632
344 2HE MET 47 2HE MET 47 -30.359 20.834 5.080
345 3HE MET 47 3HE MET 47 -29.100 21.572 6.071
346 H LEU 48 H LEU 48 -25.616 22.333 2.020
347 HA LEU 48 HA LEU 48 -23.164 20.944 1.520
348 1HB LEU 48 1HB LEU 48 -23.996 23.299 3.142
349 2HB LEU 48 2HB LEU 48 -22.469 22.529 3.528
350 HG LEU 48 HG LEU 48 -21.774 24.157 2.064
351 1HD1 LEU 48 1HD1 LEU 48 -21.423 21.697 1.209
352 2HD1 LEU 48 2HD1 LEU 48 -22.468 22.239 -0.105
353 3HD1 LEU 48 3HD1 LEU 48 -20.951 23.079 0.217
354 1HD2 LEU 48 1HD2 LEU 48 -24.082 24.940 1.587
355 2HD2 LEU 48 2HD2 LEU 48 -23.013 24.993 0.186
356 3HD2 LEU 48 3HD2 LEU 48 -24.203 23.699 0.340
357 H VAL 49 H VAL 49 -23.973 18.827 2.258
358 HA VAL 49 HA VAL 49 -23.757 18.549 5.184
359 HB VAL 49 HB VAL 49 -25.639 17.367 5.165
360 1HG1 VAL 49 1HG1 VAL 49 -26.045 18.779 3.059
361 2HG1 VAL 49 2HG1 VAL 49 -25.766 17.281 2.172
362 3HG1 VAL 49 3HG1 VAL 49 -27.085 17.381 3.338
363 1HG2 VAL 49 1HG2 VAL 49 -24.098 15.442 4.786
364 2HG2 VAL 49 2HG2 VAL 49 -25.746 15.170 4.218
365 3HG2 VAL 49 3HG2 VAL 49 -24.468 15.549 3.064
366 H GLN 50 H GLN 50 -21.934 17.614 5.848
367 HA GLN 50 HA GLN 50 -20.821 15.391 4.338
368 1HB GLN 50 1HB GLN 50 -18.765 17.336 5.155
369 2HB GLN 50 2HB GLN 50 -18.870 16.345 3.706
370 1HG GLN 50 1HG GLN 50 -20.718 17.962 2.973
371 2HG GLN 50 2HG GLN 50 -20.107 19.017 4.247
372 2HE2 GLN 50 2HE2 GLN 50 -17.915 19.732 4.114
373 1HE2 GLN 50 1HE2 GLN 50 -17.133 19.855 2.578
374 H LYS 51 H LYS 51 -19.580 13.987 5.550
375 HA LYS 51 HA LYS 51 -19.147 14.640 8.375
376 1HB LYS 51 1HB LYS 51 -20.546 12.166 7.344
377 2HB LYS 51 2HB LYS 51 -19.969 12.357 8.993
378 1HG LYS 51 1HG LYS 51 -22.094 13.989 7.624
379 2HG LYS 51 2HG LYS 51 -22.322 12.808 8.915
380 1HD LYS 51 1HD LYS 51 -20.468 14.513 9.993
381 2HD LYS 51 2HD LYS 51 -21.488 15.604 9.054
382 1HE LYS 51 1HE LYS 51 -22.704 15.593 10.967
383 2HE LYS 51 2HE LYS 51 -23.397 14.154 10.222
384 1HZ LYS 51 1HZ LYS 51 -21.146 13.310 11.580
385 2HZ LYS 51 2HZ LYS 51 -21.929 14.379 12.630
386 3HZ LYS 51 3HZ LYS 51 -22.759 13.041 12.012
387 H ASN 52 H ASN 52 -17.474 14.285 5.903
388 HA ASN 52 HA ASN 52 -15.493 13.356 5.279
389 1HB ASN 52 1HB ASN 52 -15.349 12.957 8.272
390 2HB ASN 52 2HB ASN 52 -14.004 12.610 7.189
391 2HD2 ASN 52 2HD2 ASN 52 -13.436 14.345 9.050
392 1HD2 ASN 52 1HD2 ASN 52 -13.403 15.967 8.451
393 H VAL 53 H VAL 53 -17.784 11.685 5.085
394 HA VAL 53 HA VAL 53 -16.819 9.032 5.854
395 HB VAL 53 HB VAL 53 -19.388 9.409 4.391
396 1HG1 VAL 53 1HG1 VAL 53 -18.079 7.380 5.956
397 2HG1 VAL 53 2HG1 VAL 53 -19.666 7.752 6.630
398 3HG1 VAL 53 3HG1 VAL 53 -19.518 7.259 4.942
399 1HG2 VAL 53 1HG2 VAL 53 -18.739 10.688 6.927
400 2HG2 VAL 53 2HG2 VAL 53 -20.118 10.934 5.853
401 3HG2 VAL 53 3HG2 VAL 53 -20.139 9.620 7.029
402 H THR 54 H THR 54 -16.986 7.277 4.239
403 HA THR 54 HA THR 54 -17.212 7.639 1.499
404 HB THR 54 HB THR 54 -14.443 7.310 1.403
405 HG1 THR 54 HG1 THR 54 -14.791 9.697 2.783
406 1HG2 THR 54 1HG2 THR 54 -16.136 9.728 0.848
407 2HG2 THR 54 2HG2 THR 54 -14.423 9.613 0.446
408 3HG2 THR 54 3HG2 THR 54 -15.579 8.507 -0.298
409 H SER 55 H SER 55 -15.405 5.918 0.427
410 HA SER 55 HA SER 55 -15.365 3.521 2.092
411 1HB SER 55 1HB SER 55 -16.587 3.465 -0.673
412 2HB SER 55 2HB SER 55 -16.533 2.153 0.505
413 HG SER 55 HG SER 55 -18.368 4.084 0.228
414 H GLU 56 H GLU 56 -14.784 4.613 -1.261
415 HA GLU 56 HA GLU 56 -13.078 4.177 -2.714
416 1HB GLU 56 1HB GLU 56 -11.145 4.136 -0.437
417 2HB GLU 56 2HB GLU 56 -11.009 4.918 -2.005
418 1HG GLU 56 1HG GLU 56 -13.136 5.970 -0.278
419 2HG GLU 56 2HG GLU 56 -11.494 6.204 0.321
420 H SER 57 H SER 57 -13.032 2.215 -3.619
421 HA SER 57 HA SER 57 -13.214 -0.243 -2.657
422 1HB SER 57 1HB SER 57 -12.053 0.860 -5.023
423 2HB SER 57 2HB SER 57 -11.032 -0.467 -4.472
424 HG SER 57 HG SER 57 -13.697 -0.498 -5.326
425 H THR 58 H THR 58 -9.866 0.587 -3.438
426 HA THR 58 HA THR 58 -8.903 -1.080 -1.309
427 HB THR 58 HB THR 58 -6.646 -0.059 -2.089
428 HG1 THR 58 HG1 THR 58 -7.721 1.702 -3.203
429 1HG2 THR 58 1HG2 THR 58 -7.642 -2.306 -2.775
430 2HG2 THR 58 2HG2 THR 58 -8.109 -1.491 -4.267
431 3HG2 THR 58 3HG2 THR 58 -6.408 -1.594 -3.814
432 H CYS 59 H CYS 59 -6.839 0.053 -0.116
433 HA CYS 59 HA CYS 59 -7.492 2.702 0.808
434 1HB CYS 59 1HB CYS 59 -8.765 0.815 2.147
435 2HB CYS 59 2HB CYS 59 -7.213 0.683 2.964
436 H CYS 60 H CYS 60 -5.385 1.361 -0.503
437 HA CYS 60 HA CYS 60 -3.136 0.963 1.159
438 1HB CYS 60 1HB CYS 60 -3.053 1.924 -1.703
439 2HB CYS 60 2HB CYS 60 -1.786 1.077 -0.824
440 H VAL 61 H VAL 61 -1.153 2.505 0.195
441 HA VAL 61 HA VAL 61 -0.550 4.846 -0.103
442 HB VAL 61 HB VAL 61 -2.673 5.257 2.010
443 1HG1 VAL 61 1HG1 VAL 61 -0.264 6.731 1.545
444 2HG1 VAL 61 2HG1 VAL 61 -1.661 7.726 1.133
445 3HG1 VAL 61 3HG1 VAL 61 -1.530 7.013 2.741
446 1HG2 VAL 61 1HG2 VAL 61 -3.021 5.142 -0.651
447 2HG2 VAL 61 2HG2 VAL 61 -3.964 6.197 0.402
448 3HG2 VAL 61 3HG2 VAL 61 -2.582 6.842 -0.483
449 H ALA 62 H ALA 62 1.014 3.111 0.765
450 HA ALA 62 HA ALA 62 2.160 2.211 2.673
451 1HB ALA 62 1HB ALA 62 3.522 4.824 2.549
452 2HB ALA 62 3HB ALA 62 4.168 3.192 2.371
453 3HB ALA 62 2HB ALA 62 3.321 3.958 1.027
454 H LYS 63 H LYS 63 1.442 1.983 4.699
455 HA LYS 63 HA LYS 63 0.208 3.886 6.300
456 1HB LYS 63 1HB LYS 63 0.449 1.360 6.701
457 2HB LYS 63 2HB LYS 63 2.023 1.738 7.391
458 1HG LYS 63 1HG LYS 63 0.856 3.290 8.976
459 2HG LYS 63 2HG LYS 63 -0.672 2.636 8.380
460 1HD LYS 63 1HD LYS 63 0.485 0.335 8.954
461 2HD LYS 63 2HD LYS 63 1.437 1.346 10.043
462 1HE LYS 63 1HE LYS 63 -0.452 2.010 11.261
463 2HE LYS 63 2HE LYS 63 -1.561 1.470 10.003
464 1HZ LYS 63 1HZ LYS 63 -0.601 -0.840 10.525
465 2HZ LYS 63 2HZ LYS 63 -0.075 -0.142 11.973
466 3HZ LYS 63 3HZ LYS 63 -1.724 -0.172 11.600
467 H SER 64 H SER 64 3.531 3.190 5.680
468 HA SER 64 HA SER 64 4.326 5.688 6.964
469 1HB SER 64 1HB SER 64 5.441 2.960 7.599
470 2HB SER 64 2HB SER 64 6.418 4.415 7.801
471 HG SER 64 HG SER 64 4.054 3.663 9.141
472 H TYR 65 H TYR 65 6.602 6.280 6.245
473 HA TYR 65 HA TYR 65 7.380 5.002 3.731
474 1HB TYR 65 1HB TYR 65 7.599 7.391 2.757
475 2HB TYR 65 2HB TYR 65 6.010 6.632 2.781
476 HD1 TYR 65 HD1 TYR 65 4.689 7.107 5.097
477 HD2 TYR 65 HD2 TYR 65 7.699 9.586 3.400
478 HE1 TYR 65 HE1 TYR 65 3.806 9.029 6.352
479 HE2 TYR 65 HE2 TYR 65 6.827 11.514 4.649
480 HH TYR 65 HH TYR 65 3.936 11.739 5.897
481 H ASN 66 H ASN 66 9.409 5.787 2.881
482 HA ASN 66 HA ASN 66 11.059 7.228 4.837
483 1HB ASN 66 1HB ASN 66 11.355 4.452 4.235
484 2HB ASN 66 2HB ASN 66 12.736 5.323 3.576
485 2HD2 ASN 66 2HD2 ASN 66 13.552 7.071 5.173
486 1HD2 ASN 66 1HD2 ASN 66 13.806 6.514 6.790
487 H ARG 67 H ARG 67 9.655 7.823 2.561
488 HA ARG 67 HA ARG 67 10.246 8.135 0.153
489 1HB ARG 67 1HB ARG 67 9.323 9.955 1.952
490 2HB ARG 67 2HB ARG 67 10.730 10.782 1.302
491 1HG ARG 67 1HG ARG 67 9.206 9.612 -0.822
492 2HG ARG 67 2HG ARG 67 8.167 10.609 0.196
493 1HD ARG 67 1HD ARG 67 10.308 11.388 -1.647
494 2HD ARG 67 2HD ARG 67 8.917 12.305 -1.075
495 HE ARG 67 HE ARG 67 11.580 12.281 0.053
496 1HH1 ARG 67 1HH1 ARG 67 8.222 13.055 0.544
497 2HH1 ARG 67 2HH1 ARG 67 8.537 14.219 1.787
498 1HH2 ARG 67 1HH2 ARG 67 12.007 13.809 1.696
499 2HH2 ARG 67 2HH2 ARG 67 10.687 14.648 2.442
500 H VAL 68 H VAL 68 11.798 8.242 -1.227
501 HA VAL 68 HA VAL 68 14.383 9.382 -0.464
502 HB VAL 68 HB VAL 68 15.639 7.559 -1.327
503 1HG1 VAL 68 1HG1 VAL 68 13.415 6.738 0.494
504 2HG1 VAL 68 2HG1 VAL 68 14.592 5.547 -0.048
505 3HG1 VAL 68 3HG1 VAL 68 15.126 6.965 0.849
506 1HG2 VAL 68 1HG2 VAL 68 13.629 7.151 -3.098
507 2HG2 VAL 68 2HG2 VAL 68 14.939 6.008 -2.806
508 3HG2 VAL 68 3HG2 VAL 68 13.382 5.795 -2.007
509 H THR 69 H THR 69 12.590 10.776 -1.887
510 HA THR 69 HA THR 69 12.050 10.789 -4.407
511 HB THR 69 HB THR 69 13.815 12.955 -3.262
512 HG1 THR 69 HG1 THR 69 11.439 13.846 -3.403
513 1HG2 THR 69 1HG2 THR 69 12.934 12.586 -5.912
514 2HG2 THR 69 2HG2 THR 69 11.965 13.883 -5.210
515 3HG2 THR 69 3HG2 THR 69 13.724 13.996 -5.207
516 H VAL 70 H VAL 70 12.884 9.943 -6.153
517 HA VAL 70 HA VAL 70 15.799 9.965 -6.449
518 HB VAL 70 HB VAL 70 14.652 7.913 -8.049
519 1HG1 VAL 70 1HG1 VAL 70 16.855 8.333 -6.379
520 2HG1 VAL 70 2HG1 VAL 70 15.999 6.951 -5.692
521 3HG1 VAL 70 3HG1 VAL 70 16.523 6.916 -7.376
522 1HG2 VAL 70 1HG2 VAL 70 13.549 8.141 -5.285
523 2HG2 VAL 70 2HG2 VAL 70 12.761 7.612 -6.771
524 3HG2 VAL 70 3HG2 VAL 70 13.893 6.545 -5.944
525 H MET 71 H MET 71 16.142 9.098 -8.903
526 HA MET 71 HA MET 71 16.537 10.142 -10.915
527 1HB MET 71 1HB MET 71 13.552 9.853 -11.128
528 2HB MET 71 2HB MET 71 14.728 9.807 -12.435
529 1HG MET 71 1HG MET 71 14.872 7.827 -10.234
530 2HG MET 71 2HG MET 71 13.696 7.627 -11.529
531 1HE MET 71 1HE MET 71 14.362 8.103 -13.925
532 2HE MET 71 2HE MET 71 15.945 8.847 -14.142
533 3HE MET 71 3HE MET 71 15.672 7.186 -14.671
534 H GLY 72 H GLY 72 13.829 11.458 -11.930
535 1HA GLY 72 1HA GLY 72 13.372 13.636 -12.482
536 2HA GLY 72 2HA GLY 72 14.799 14.123 -11.582
537 H GLY 73 H GLY 73 13.365 12.333 -9.382
538 1HA GLY 73 1HA GLY 73 11.541 14.470 -8.483
539 2HA GLY 73 2HA GLY 73 12.719 13.753 -7.395
540 H PHE 74 H PHE 74 12.220 11.066 -8.690
541 HA PHE 74 HA PHE 74 9.499 10.401 -8.226
542 1HB PHE 74 1HB PHE 74 12.001 8.792 -8.624
543 2HB PHE 74 2HB PHE 74 10.496 8.001 -8.169
544 HD1 PHE 74 HD1 PHE 74 8.752 10.014 -9.808
545 HD2 PHE 74 HD2 PHE 74 12.168 7.648 -10.712
546 HE1 PHE 74 HE1 PHE 74 8.081 9.957 -12.174
547 HE2 PHE 74 HE2 PHE 74 11.509 7.588 -13.079
548 HZ PHE 74 HZ PHE 74 9.461 8.744 -13.815
549 H LYS 75 H LYS 75 8.504 10.243 -6.337
550 HA LYS 75 HA LYS 75 10.127 9.699 -3.953
551 1HB LYS 75 1HB LYS 75 7.330 10.811 -3.989
552 2HB LYS 75 2HB LYS 75 8.489 10.838 -2.667
553 1HG LYS 75 1HG LYS 75 9.412 12.729 -3.385
554 2HG LYS 75 2HG LYS 75 9.509 12.145 -5.047
555 1HD LYS 75 1HD LYS 75 7.614 13.184 -5.651
556 2HD LYS 75 2HD LYS 75 6.797 12.773 -4.142
557 1HE LYS 75 1HE LYS 75 8.806 14.990 -4.527
558 2HE LYS 75 2HE LYS 75 7.061 15.191 -4.378
559 1HZ LYS 75 1HZ LYS 75 8.392 13.743 -2.230
560 2HZ LYS 75 2HZ LYS 75 8.714 15.400 -2.328
561 3HZ LYS 75 3HZ LYS 75 7.121 14.859 -2.161
562 H VAL 76 H VAL 76 10.128 7.664 -3.377
563 HA VAL 76 HA VAL 76 7.804 5.959 -3.785
564 HB VAL 76 HB VAL 76 9.396 4.093 -2.953
565 1HG1 VAL 76 1HG1 VAL 76 9.203 5.238 -5.449
566 2HG1 VAL 76 2HG1 VAL 76 10.922 5.450 -5.120
567 3HG1 VAL 76 3HG1 VAL 76 10.205 3.844 -5.066
568 1HG2 VAL 76 1HG2 VAL 76 10.740 6.445 -2.093
569 2HG2 VAL 76 2HG2 VAL 76 11.266 4.775 -1.913
570 3HG2 VAL 76 3HG2 VAL 76 11.776 5.717 -3.316
571 H GLU 77 H GLU 77 8.465 8.108 -1.746
572 HA GLU 77 HA GLU 77 8.525 8.321 0.600
573 1HB GLU 77 1HB GLU 77 5.976 7.746 -0.490
574 2HB GLU 77 2HB GLU 77 6.098 6.790 0.979
575 1HG GLU 77 1HG GLU 77 5.421 8.606 2.047
576 2HG GLU 77 2HG GLU 77 7.041 9.242 1.760
577 H ASN 78 H ASN 78 10.040 6.303 -0.355
578 HA ASN 78 HA ASN 78 10.313 3.926 -0.195
579 1HB ASN 78 1HB ASN 78 12.220 5.371 0.663
580 2HB ASN 78 2HB ASN 78 11.603 5.049 2.284
581 H HIS 79 H HIS 79 8.012 3.698 0.227
582 HA HIS 79 HA HIS 79 6.670 3.650 2.494
583 1HB HIS 79 1HB HIS 79 6.534 1.515 0.373
584 2HB HIS 79 2HB HIS 79 5.296 1.792 1.606
585 HD1 HIS 79 HD1 HIS 79 4.028 2.310 -0.968
586 HD2 HIS 79 HD2 HIS 79 6.528 5.092 0.786
587 HE1 HIS 79 HE1 HIS 79 3.500 4.504 -2.088
588 H THR 80 H THR 80 7.019 3.062 4.392
589 HA THR 80 HA THR 80 8.681 0.705 4.900
590 HB THR 80 HB THR 80 9.224 1.631 6.970
591 HG1 THR 80 HG1 THR 80 7.163 2.072 7.746
592 1HG2 THR 80 1HG2 THR 80 9.814 3.066 4.870
593 2HG2 THR 80 2HG2 THR 80 8.696 4.217 5.601
594 3HG2 THR 80 3HG2 THR 80 10.120 3.684 6.494
595 H ALA 81 H ALA 81 5.482 1.535 4.670
596 HA ALA 81 HA ALA 81 4.584 -0.971 5.634
597 1HB ALA 81 1HB ALA 81 4.628 -0.249 7.828
598 2HB ALA 81 3HB ALA 81 4.233 1.415 7.397
599 3HB ALA 81 2HB ALA 81 2.984 0.171 7.348
600 H CYS 82 H CYS 82 2.644 -1.458 4.668
601 HA CYS 82 HA CYS 82 1.267 0.781 3.332
602 1HB CYS 82 1HB CYS 82 1.230 -2.052 2.297
603 2HB CYS 82 2HB CYS 82 0.771 -0.581 1.454
604 H HIS 83 H HIS 83 -0.713 1.119 4.096
605 HA HIS 83 HA HIS 83 -2.139 -1.144 5.323
606 1HB HIS 83 1HB HIS 83 -3.474 0.583 6.513
607 2HB HIS 83 2HB HIS 83 -1.761 0.624 6.919
608 HD1 HIS 83 HD1 HIS 83 -2.847 3.139 7.649
609 HD2 HIS 83 HD2 HIS 83 -1.999 2.381 3.653
610 HE1 HIS 83 HE1 HIS 83 -2.671 5.399 6.558
611 HE2 HIS 83 HE2 HIS 83 -2.255 4.911 4.122
612 H CYS 84 H CYS 84 -3.435 -2.007 3.864
613 HA CYS 84 HA CYS 84 -5.147 -0.218 2.268
614 1HB CYS 84 1HB CYS 84 -3.597 -1.215 0.755
615 2HB CYS 84 2HB CYS 84 -3.813 -2.804 1.475
616 H SER 85 H SER 85 -7.204 -1.241 1.555
617 HA SER 85 HA SER 85 -9.167 -2.312 1.988
618 1HB SER 85 1HB SER 85 -8.741 -4.517 2.009
619 2HB SER 85 2HB SER 85 -7.129 -4.242 2.665
620 HG SER 85 HG SER 85 -9.323 -5.179 3.903
621 H THR 86 H THR 86 -10.377 -3.347 4.103
622 HA THR 86 HA THR 86 -11.569 -2.026 5.752
623 HB THR 86 HB THR 86 -9.314 -3.448 7.171
624 HG1 THR 86 HG1 THR 86 -10.017 -5.041 5.950
625 1HG2 THR 86 1HG2 THR 86 -12.091 -2.686 7.943
626 2HG2 THR 86 2HG2 THR 86 -11.321 -4.103 8.654
627 3HG2 THR 86 3HG2 THR 86 -10.584 -2.512 8.844
628 H CYS 87 H CYS 87 -11.111 0.191 5.387
629 HA CYS 87 HA CYS 87 -8.736 1.459 6.236
630 1HB CYS 87 1HB CYS 87 -11.484 2.676 5.898
631 2HB CYS 87 2HB CYS 87 -9.958 3.553 5.942
632 H TYR 88 H TYR 88 -8.956 0.023 8.301
633 HA TYR 88 HA TYR 88 -8.756 1.429 10.546
634 1HB TYR 88 1HB TYR 88 -11.025 2.346 10.206
635 2HB TYR 88 2HB TYR 88 -11.688 0.717 10.274
636 HD1 TYR 88 HD1 TYR 88 -9.083 2.321 12.401
637 HD2 TYR 88 HD2 TYR 88 -12.999 0.669 12.200
638 HE1 TYR 88 HE1 TYR 88 -9.287 2.520 14.843
639 HE2 TYR 88 HE2 TYR 88 -13.213 0.866 14.643
640 HH TYR 88 HH TYR 88 -10.672 1.323 16.681
641 H TYR 89 H TYR 89 -8.408 -1.205 9.110
642 HA TYR 89 HA TYR 89 -9.443 -3.365 10.424
643 1HB TYR 89 1HB TYR 89 -7.808 -4.611 9.407
644 2HB TYR 89 2HB TYR 89 -7.662 -3.129 8.470
645 HD1 TYR 89 HD1 TYR 89 -6.153 -5.136 11.166
646 HD2 TYR 89 HD2 TYR 89 -5.693 -1.773 8.599
647 HE1 TYR 89 HE1 TYR 89 -3.786 -4.980 11.804
648 HE2 TYR 89 HE2 TYR 89 -3.320 -1.610 9.231
649 HH TYR 89 HH TYR 89 -1.678 -2.454 10.461
650 H HIS 90 H HIS 90 -9.619 -3.690 12.525
651 HA HIS 90 HA HIS 90 -7.995 -2.491 14.490
652 1HB HIS 90 1HB HIS 90 -10.194 -3.144 15.121
653 2HB HIS 90 2HB HIS 90 -9.939 -4.797 14.571
654 HD1 HIS 90 HD1 HIS 90 -10.384 -5.939 16.789
655 HD2 HIS 90 HD2 HIS 90 -7.445 -3.011 17.021
656 HE1 HIS 90 HE1 HIS 90 -9.353 -6.202 19.067
657 HE2 HIS 90 HE2 HIS 90 -7.510 -4.486 19.145
658 H LYS 91 H LYS 91 -8.361 -5.990 14.077
659 HA LYS 91 HA LYS 91 -5.842 -6.777 13.431
660 1HB LYS 91 1HB LYS 91 -4.463 -6.410 15.153
661 2HB LYS 91 2HB LYS 91 -5.746 -5.506 15.945
662 1HG LYS 91 1HG LYS 91 -6.490 -7.452 17.116
663 2HG LYS 91 2HG LYS 91 -5.395 -8.485 16.194
664 1HD LYS 91 1HD LYS 91 -4.458 -8.084 18.380
665 2HD LYS 91 2HD LYS 91 -3.481 -7.248 17.169
666 1HE LYS 91 1HE LYS 91 -5.689 -5.682 18.328
667 2HE LYS 91 2HE LYS 91 -4.390 -6.103 19.443
668 1HZ LYS 91 1HZ LYS 91 -3.901 -4.850 16.803
669 2HZ LYS 91 2HZ LYS 91 -4.115 -3.951 18.221
670 3HZ LYS 91 3HZ LYS 91 -2.812 -5.021 18.086
671 H SER 92 H SER 92 -8.484 -7.291 15.681
672 HA SER 92 HA SER 92 -9.151 -9.811 14.612
673 1HB SER 92 1HB SER 92 -7.159 -9.822 16.719
674 2HB SER 92 2HB SER 92 -8.609 -10.698 17.210
675 HG SER 92 HG SER 92 -6.833 -11.809 15.925
No H/Q in entry = 675
Start of MODEL 23
1 H1 ALA 1 H1 ALA 1 -10.216 -16.131 7.059
2 H2 ALA 1 H2 ALA 1 -10.428 -16.296 8.754
3 H3 ALA 1 H3 ALA 1 -10.648 -14.769 8.010
4 HA ALA 1 HA ALA 1 -8.613 -14.612 8.977
5 1HB ALA 1 1HB ALA 1 -7.915 -16.618 9.746
6 2HB ALA 1 2HB ALA 1 -8.448 -17.482 8.303
7 3HB ALA 1 3HB ALA 1 -6.932 -16.581 8.283
8 HA PRO 2 HA PRO 2 -6.107 -15.114 4.762
9 1HB PRO 2 1HB PRO 2 -8.007 -16.067 2.856
10 2HB PRO 2 2HB PRO 2 -6.532 -16.865 3.399
11 1HG PRO 2 1HG PRO 2 -9.330 -17.276 4.268
12 2HG PRO 2 2HG PRO 2 -7.970 -18.409 4.278
13 1HD PRO 2 1HD PRO 2 -8.921 -17.322 6.542
14 2HD PRO 2 2HD PRO 2 -7.186 -17.641 6.322
15 H ASP 3 H ASP 3 -9.618 -14.770 4.243
16 HA ASP 3 HA ASP 3 -10.805 -12.778 4.008
17 1HB ASP 3 1HB ASP 3 -8.667 -11.589 4.813
18 2HB ASP 3 2HB ASP 3 -8.300 -11.378 3.104
19 H VAL 4 H VAL 4 -11.842 -13.824 2.334
20 HA VAL 4 HA VAL 4 -12.131 -14.598 0.138
21 HB VAL 4 HB VAL 4 -12.980 -12.777 -1.180
22 1HG1 VAL 4 1HG1 VAL 4 -14.271 -13.439 0.799
23 2HG1 VAL 4 2HG1 VAL 4 -13.442 -12.200 1.742
24 3HG1 VAL 4 3HG1 VAL 4 -14.493 -11.734 0.404
25 1HG2 VAL 4 1HG2 VAL 4 -10.826 -11.351 -0.191
26 2HG2 VAL 4 2HG2 VAL 4 -12.123 -10.716 -1.205
27 3HG2 VAL 4 3HG2 VAL 4 -12.225 -10.569 0.549
28 H GLN 5 H GLN 5 -11.431 -12.618 -2.082
29 HA GLN 5 HA GLN 5 -8.605 -13.385 -2.389
30 1HB GLN 5 1HB GLN 5 -9.803 -14.814 -3.852
31 2HB GLN 5 2HB GLN 5 -10.855 -13.510 -4.386
32 1HG GLN 5 1HG GLN 5 -9.283 -12.631 -5.803
33 2HG GLN 5 2HG GLN 5 -7.930 -13.307 -4.897
34 2HE2 GLN 5 2HE2 GLN 5 -7.936 -13.538 -7.582
35 1HE2 GLN 5 1HE2 GLN 5 -8.236 -15.172 -8.052
36 H ASP 6 H ASP 6 -8.665 -11.085 -1.336
37 HA ASP 6 HA ASP 6 -8.387 -9.164 -3.544
38 1HB ASP 6 1HB ASP 6 -9.347 -7.388 -2.187
39 2HB ASP 6 2HB ASP 6 -10.500 -8.711 -2.332
40 H CYS 7 H CYS 7 -6.794 -7.568 -3.272
41 HA CYS 7 HA CYS 7 -4.367 -8.215 -2.360
42 1HB CYS 7 1HB CYS 7 -4.619 -6.181 -3.564
43 2HB CYS 7 2HB CYS 7 -5.689 -5.505 -2.342
44 HA PRO 8 HA PRO 8 -4.799 -8.910 2.019
45 1HB PRO 8 1HB PRO 8 -1.845 -8.662 1.946
46 2HB PRO 8 2HB PRO 8 -2.853 -9.977 2.559
47 1HG PRO 8 1HG PRO 8 -1.525 -10.230 0.261
48 2HG PRO 8 2HG PRO 8 -3.152 -10.908 0.460
49 1HD PRO 8 1HD PRO 8 -2.292 -8.420 -0.964
50 2HD PRO 8 2HD PRO 8 -3.530 -9.610 -1.420
51 H GLU 9 H GLU 9 -5.699 -6.670 2.176
52 HA GLU 9 HA GLU 9 -5.731 -4.545 3.028
53 1HB GLU 9 1HB GLU 9 -4.911 -6.254 4.937
54 2HB GLU 9 2HB GLU 9 -3.523 -5.179 4.898
55 1HG GLU 9 1HG GLU 9 -5.135 -3.268 5.186
56 2HG GLU 9 2HG GLU 9 -6.378 -4.478 5.499
57 H CYS 10 H CYS 10 -4.540 -2.553 3.490
58 HA CYS 10 HA CYS 10 -2.813 -1.869 1.422
59 1HB CYS 10 1HB CYS 10 -4.014 -0.120 2.491
60 2HB CYS 10 2HB CYS 10 -3.367 -0.545 4.072
61 H THR 11 H THR 11 -0.699 -1.945 1.123
62 HA THR 11 HA THR 11 1.138 -2.287 3.342
63 HB THR 11 HB THR 11 0.890 -4.563 3.029
64 HG1 THR 11 HG1 THR 11 2.750 -5.195 2.209
65 1HG2 THR 11 1HG2 THR 11 -0.163 -3.843 0.463
66 2HG2 THR 11 2HG2 THR 11 0.979 -5.179 0.318
67 3HG2 THR 11 3HG2 THR 11 -0.400 -5.313 1.408
68 H LEU 12 H LEU 12 3.215 -3.188 1.350
69 HA LEU 12 HA LEU 12 3.532 -0.604 -0.022
70 1HB LEU 12 1HB LEU 12 5.458 -2.310 1.469
71 2HB LEU 12 2HB LEU 12 6.054 -1.410 0.087
72 HG LEU 12 HG LEU 12 5.657 0.660 1.098
73 1HD1 LEU 12 1HD1 LEU 12 3.854 -0.805 3.011
74 2HD1 LEU 12 2HD1 LEU 12 4.341 0.879 3.205
75 3HD1 LEU 12 3HD1 LEU 12 3.395 0.391 1.800
76 1HD2 LEU 12 1HD2 LEU 12 6.558 -1.346 3.140
77 2HD2 LEU 12 2HD2 LEU 12 7.541 -0.290 2.129
78 3HD2 LEU 12 3HD2 LEU 12 6.578 0.392 3.441
79 H GLN 13 H GLN 13 4.166 -0.566 -2.131
80 HA GLN 13 HA GLN 13 4.036 -3.127 -3.530
81 1HB GLN 13 1HB GLN 13 4.013 -0.377 -4.704
82 2HB GLN 13 2HB GLN 13 3.585 -1.885 -5.503
83 1HG GLN 13 1HG GLN 13 1.964 -1.713 -3.241
84 2HG GLN 13 2HG GLN 13 1.953 -0.111 -3.977
85 2HE2 GLN 13 2HE2 GLN 13 1.310 -3.511 -4.514
86 1HE2 GLN 13 1HE2 GLN 13 0.237 -3.297 -5.851
87 H GLU 14 H GLU 14 6.275 -2.760 -2.207
88 HA GLU 14 HA GLU 14 8.511 -1.754 -2.622
89 1HB GLU 14 1HB GLU 14 8.563 -4.035 -1.880
90 2HB GLU 14 2HB GLU 14 8.220 -4.607 -3.508
91 1HG GLU 14 1HG GLU 14 10.484 -3.005 -3.763
92 2HG GLU 14 2HG GLU 14 10.741 -3.941 -2.291
93 H ASN 15 H ASN 15 9.391 -0.584 -4.002
94 HA ASN 15 HA ASN 15 8.654 -0.278 -6.631
95 1HB ASN 15 1HB ASN 15 10.277 1.064 -4.863
96 2HB ASN 15 2HB ASN 15 11.359 0.601 -6.173
97 2HD2 ASN 15 2HD2 ASN 15 8.499 2.356 -5.312
98 1HD2 ASN 15 1HD2 ASN 15 8.428 3.336 -6.734
99 HA PRO 16 HA PRO 16 11.046 -3.738 -8.252
100 1HB PRO 16 1HB PRO 16 9.588 -4.093 -10.480
101 2HB PRO 16 2HB PRO 16 9.005 -4.663 -8.910
102 1HG PRO 16 1HG PRO 16 8.250 -2.202 -10.432
103 2HG PRO 16 2HG PRO 16 7.218 -3.309 -9.509
104 1HD PRO 16 1HD PRO 16 8.142 -0.890 -8.564
105 2HD PRO 16 2HD PRO 16 7.654 -2.247 -7.532
106 H PHE 17 H PHE 17 10.722 -0.622 -8.838
107 HA PHE 17 HA PHE 17 12.119 -0.452 -11.386
108 1HB PHE 17 1HB PHE 17 10.119 1.031 -10.607
109 2HB PHE 17 2HB PHE 17 11.326 1.864 -9.632
110 HD1 PHE 17 HD1 PHE 17 13.130 0.808 -12.317
111 HD2 PHE 17 HD2 PHE 17 10.059 3.583 -11.341
112 HE1 PHE 17 HE1 PHE 17 13.754 2.174 -14.270
113 HE2 PHE 17 HE2 PHE 17 10.672 4.957 -13.293
114 HZ PHE 17 HZ PHE 17 12.523 4.252 -14.759
115 H PHE 18 H PHE 18 12.366 1.101 -8.220
116 HA PHE 18 HA PHE 18 15.153 1.668 -8.522
117 1HB PHE 18 1HB PHE 18 13.618 1.767 -5.933
118 2HB PHE 18 2HB PHE 18 14.980 2.764 -6.440
119 HD1 PHE 18 HD1 PHE 18 14.347 3.853 -8.923
120 HD2 PHE 18 HD2 PHE 18 11.694 3.008 -5.718
121 HE1 PHE 18 HE1 PHE 18 12.808 5.582 -9.756
122 HE2 PHE 18 HE2 PHE 18 10.144 4.733 -6.543
123 HZ PHE 18 HZ PHE 18 10.701 6.025 -8.561
124 H SER 19 H SER 19 13.497 -1.100 -7.878
125 HA SER 19 HA SER 19 14.835 -2.293 -5.750
126 1HB SER 19 1HB SER 19 13.168 -3.710 -6.322
127 2HB SER 19 2HB SER 19 13.189 -3.196 -8.008
128 HG SER 19 HG SER 19 14.292 -5.382 -6.873
129 H GLN 20 H GLN 20 17.020 -1.743 -5.837
130 HA GLN 20 HA GLN 20 18.584 -2.745 -8.091
131 1HB GLN 20 1HB GLN 20 20.349 -1.385 -7.333
132 2HB GLN 20 2HB GLN 20 18.905 -0.423 -7.056
133 1HG GLN 20 1HG GLN 20 19.677 -0.123 -4.998
134 2HG GLN 20 2HG GLN 20 19.197 -1.792 -4.692
135 2HE2 GLN 20 2HE2 GLN 20 21.444 -0.041 -3.710
136 1HE2 GLN 20 1HE2 GLN 20 22.865 -0.991 -3.957
137 HA PRO 21 HA PRO 21 20.081 -6.458 -6.271
138 1HB PRO 21 1HB PRO 21 22.849 -5.933 -6.347
139 2HB PRO 21 2HB PRO 21 21.899 -6.743 -7.593
140 1HG PRO 21 1HG PRO 21 22.779 -3.903 -7.426
141 2HG PRO 21 2HG PRO 21 22.579 -4.937 -8.852
142 1HD PRO 21 1HD PRO 21 20.796 -3.032 -8.269
143 2HD PRO 21 2HD PRO 21 20.277 -4.602 -8.923
144 H GLY 22 H GLY 22 19.120 -5.274 -4.271
145 1HA GLY 22 1HA GLY 22 21.245 -4.611 -2.354
146 2HA GLY 22 2HA GLY 22 20.083 -5.866 -1.956
147 H ALA 23 H ALA 23 18.422 -3.636 -3.752
148 HA ALA 23 HA ALA 23 17.173 -2.573 -1.369
149 1HB ALA 23 2HB ALA 23 18.474 -0.746 -1.339
150 2HB ALA 23 1HB ALA 23 19.041 -1.004 -2.988
151 3HB ALA 23 3HB ALA 23 17.488 -0.216 -2.703
152 HA PRO 24 HA PRO 24 13.907 -2.861 -4.379
153 1HB PRO 24 1HB PRO 24 12.405 -4.440 -2.864
154 2HB PRO 24 2HB PRO 24 13.899 -5.047 -3.583
155 1HG PRO 24 1HG PRO 24 13.307 -4.397 -0.766
156 2HG PRO 24 2HG PRO 24 14.537 -5.481 -1.435
157 1HD PRO 24 1HD PRO 24 14.800 -2.715 -0.605
158 2HD PRO 24 2HD PRO 24 16.064 -3.864 -1.092
159 H ILE 25 H ILE 25 13.719 -0.489 -3.845
160 HA ILE 25 HA ILE 25 12.428 0.768 -1.875
161 HB ILE 25 HB ILE 25 12.245 1.190 -4.854
162 1HG1 ILE 25 1HG1 ILE 25 14.453 1.371 -4.098
163 2HG1 ILE 25 2HG1 ILE 25 13.865 3.036 -4.095
164 1HG2 ILE 25 1HG2 ILE 25 11.224 2.829 -2.560
165 2HG2 ILE 25 2HG2 ILE 25 11.769 3.608 -4.043
166 3HG2 ILE 25 3HG2 ILE 25 10.426 2.470 -4.088
167 1HD1 ILE 25 1HD1 ILE 25 13.244 2.648 -1.672
168 2HD1 ILE 25 2HD1 ILE 25 14.221 1.185 -1.772
169 3HD1 ILE 25 3HD1 ILE 25 14.965 2.759 -2.046
170 H LEU 26 H LEU 26 10.154 1.970 -2.482
171 HA LEU 26 HA LEU 26 8.082 -0.004 -2.942
172 1HB LEU 26 1HB LEU 26 7.675 1.542 -0.542
173 2HB LEU 26 2HB LEU 26 7.495 -0.192 -0.808
174 HG LEU 26 HG LEU 26 10.184 0.997 -0.706
175 1HD1 LEU 26 1HD1 LEU 26 8.482 1.472 1.363
176 2HD1 LEU 26 2HD1 LEU 26 9.275 -0.019 1.863
177 3HD1 LEU 26 3HD1 LEU 26 10.241 1.402 1.483
178 1HD2 LEU 26 1HD2 LEU 26 9.242 -1.543 -1.064
179 2HD2 LEU 26 2HD2 LEU 26 10.885 -1.117 -0.590
180 3HD2 LEU 26 3HD2 LEU 26 9.693 -1.536 0.639
181 H GLN 27 H GLN 27 6.058 1.231 -1.803
182 HA GLN 27 HA GLN 27 5.585 3.893 -2.129
183 1HB GLN 27 1HB GLN 27 6.370 3.518 -4.485
184 2HB GLN 27 2HB GLN 27 4.941 2.529 -4.746
185 1HG GLN 27 1HG GLN 27 4.345 4.603 -5.601
186 2HG GLN 27 2HG GLN 27 3.618 4.595 -3.994
187 2HE2 GLN 27 2HE2 GLN 27 4.109 6.190 -2.633
188 1HE2 GLN 27 1HE2 GLN 27 5.334 7.382 -2.891
189 H CYS 28 H CYS 28 4.580 2.143 -0.459
190 HA CYS 28 HA CYS 28 2.709 0.956 0.273
191 1HB CYS 28 1HB CYS 28 2.645 3.588 0.688
192 2HB CYS 28 2HB CYS 28 1.181 3.437 -0.270
193 H MET 29 H MET 29 1.451 -0.538 -0.538
194 HA MET 29 HA MET 29 0.363 -0.452 -3.165
195 1HB MET 29 1HB MET 29 0.874 -2.600 -2.245
196 2HB MET 29 2HB MET 29 -0.099 -2.288 -0.816
197 1HG MET 29 1HG MET 29 -1.976 -2.966 -1.802
198 2HG MET 29 2HG MET 29 -1.608 -2.115 -3.301
199 1HE MET 29 1HE MET 29 0.569 -4.344 -1.382
200 2HE MET 29 2HE MET 29 -0.389 -5.820 -1.505
201 3HE MET 29 3HE MET 29 1.046 -5.615 -2.510
202 H GLY 30 H GLY 30 -1.389 -0.766 -0.073
203 1HA GLY 30 1HA GLY 30 -3.219 1.347 -0.838
204 2HA GLY 30 2HA GLY 30 -3.211 0.475 0.686
205 H CYS 31 H CYS 31 -4.576 -1.234 0.975
206 HA CYS 31 HA CYS 31 -6.725 -1.510 -0.896
207 1HB CYS 31 1HB CYS 31 -6.426 -3.996 -1.161
208 2HB CYS 31 2HB CYS 31 -5.236 -3.021 -2.018
209 H CYS 32 H CYS 32 -6.972 -0.579 1.532
210 HA CYS 32 HA CYS 32 -7.263 -2.411 3.643
211 1HB CYS 32 1HB CYS 32 -8.042 0.386 3.114
212 2HB CYS 32 2HB CYS 32 -9.044 -0.455 4.291
213 H PHE 33 H PHE 33 -8.301 -4.045 2.077
214 HA PHE 33 HA PHE 33 -10.104 -5.251 1.380
215 1HB PHE 33 1HB PHE 33 -11.345 -4.047 3.862
216 2HB PHE 33 2HB PHE 33 -11.884 -5.507 3.035
217 HD1 PHE 33 HD1 PHE 33 -8.879 -6.321 2.471
218 HD2 PHE 33 HD2 PHE 33 -11.098 -5.295 5.955
219 HE1 PHE 33 HE1 PHE 33 -7.340 -7.666 3.841
220 HE2 PHE 33 HE2 PHE 33 -9.562 -6.638 7.331
221 HZ PHE 33 HZ PHE 33 -7.679 -7.824 6.274
222 H SER 34 H SER 34 -12.794 -4.946 1.424
223 HA SER 34 HA SER 34 -14.589 -3.765 0.602
224 1HB SER 34 1HB SER 34 -12.869 -1.683 1.390
225 2HB SER 34 2HB SER 34 -13.321 -1.319 -0.276
226 HG SER 34 HG SER 34 -14.895 -1.441 2.017
227 H ARG 35 H ARG 35 -11.609 -4.265 -0.916
228 HA ARG 35 HA ARG 35 -12.532 -3.622 -3.590
229 1HB ARG 35 1HB ARG 35 -10.299 -3.148 -3.536
230 2HB ARG 35 2HB ARG 35 -9.958 -4.375 -2.326
231 1HG ARG 35 1HG ARG 35 -10.497 -5.994 -4.357
232 2HG ARG 35 2HG ARG 35 -9.998 -4.577 -5.282
233 1HD ARG 35 1HD ARG 35 -8.064 -4.695 -3.372
234 2HD ARG 35 2HD ARG 35 -8.421 -6.404 -3.609
235 HE ARG 35 HE ARG 35 -6.914 -4.792 -5.323
236 1HH1 ARG 35 1HH1 ARG 35 -9.501 -7.114 -5.480
237 2HH1 ARG 35 2HH1 ARG 35 -9.071 -7.681 -7.059
238 1HH2 ARG 35 1HH2 ARG 35 -6.329 -5.533 -7.397
239 2HH2 ARG 35 2HH2 ARG 35 -7.262 -6.783 -8.150
240 H ALA 36 H ALA 36 -13.808 -4.998 -4.637
241 HA ALA 36 HA ALA 36 -13.247 -7.875 -4.423
242 1HB ALA 36 1HB ALA 36 -16.077 -7.249 -4.762
243 2HB ALA 36 3HB ALA 36 -15.290 -8.413 -3.697
244 3HB ALA 36 2HB ALA 36 -15.410 -6.721 -3.217
245 H TYR 37 H TYR 37 -12.673 -5.766 -6.442
246 HA TYR 37 HA TYR 37 -14.325 -6.593 -8.703
247 1HB TYR 37 1HB TYR 37 -12.233 -4.841 -9.523
248 2HB TYR 37 2HB TYR 37 -13.960 -4.510 -9.427
249 HD1 TYR 37 HD1 TYR 37 -14.706 -4.208 -6.781
250 HD2 TYR 37 HD2 TYR 37 -10.916 -3.280 -8.481
251 HE1 TYR 37 HE1 TYR 37 -14.292 -2.596 -4.970
252 HE2 TYR 37 HE2 TYR 37 -10.493 -1.667 -6.674
253 HH TYR 37 HH TYR 37 -12.565 -0.301 -4.906
254 HA PRO 38 HA PRO 38 -11.069 -9.421 -9.876
255 1HB PRO 38 1HB PRO 38 -12.443 -10.788 -11.697
256 2HB PRO 38 2HB PRO 38 -12.866 -10.896 -9.983
257 1HG PRO 38 1HG PRO 38 -14.194 -9.356 -12.170
258 2HG PRO 38 2HG PRO 38 -14.921 -10.231 -10.812
259 1HD PRO 38 1HD PRO 38 -14.459 -7.474 -10.922
260 2HD PRO 38 2HD PRO 38 -14.794 -8.410 -9.453
261 H THR 39 H THR 39 -9.952 -10.044 -11.904
262 HA THR 39 HA THR 39 -9.148 -7.861 -13.398
263 HB THR 39 HB THR 39 -8.768 -10.193 -14.972
264 HG1 THR 39 HG1 THR 39 -7.917 -11.582 -13.425
265 1HG2 THR 39 1HG2 THR 39 -7.173 -8.193 -13.708
266 2HG2 THR 39 2HG2 THR 39 -6.485 -9.788 -13.399
267 3HG2 THR 39 3HG2 THR 39 -6.772 -9.258 -15.056
268 HA PRO 40 HA PRO 40 -12.060 -9.309 -16.908
269 1HB PRO 40 1HB PRO 40 -13.520 -11.529 -16.526
270 2HB PRO 40 2HB PRO 40 -11.819 -11.611 -16.998
271 1HG PRO 40 1HG PRO 40 -13.058 -11.992 -14.304
272 2HG PRO 40 2HG PRO 40 -11.732 -12.890 -15.065
273 1HD PRO 40 1HD PRO 40 -11.390 -10.864 -13.206
274 2HD PRO 40 2HD PRO 40 -10.161 -11.363 -14.383
275 H LEU 41 H LEU 41 -14.014 -8.397 -17.325
276 HA LEU 41 HA LEU 41 -15.811 -7.985 -15.029
277 1HB LEU 41 1HB LEU 41 -15.923 -6.309 -17.502
278 2HB LEU 41 2HB LEU 41 -16.385 -5.898 -15.861
279 HG LEU 41 HG LEU 41 -13.505 -6.422 -16.365
280 1HD1 LEU 41 1HD1 LEU 41 -14.236 -5.044 -18.291
281 2HD1 LEU 41 2HD1 LEU 41 -14.826 -3.830 -17.154
282 3HD1 LEU 41 3HD1 LEU 41 -13.106 -4.213 -17.222
283 1HD2 LEU 41 1HD2 LEU 41 -14.894 -5.638 -14.201
284 2HD2 LEU 41 2HD2 LEU 41 -13.208 -5.203 -14.487
285 3HD2 LEU 41 3HD2 LEU 41 -14.494 -4.065 -14.890
286 H ARG 42 H ARG 42 -18.156 -7.612 -15.722
287 HA ARG 42 HA ARG 42 -19.478 -9.755 -16.462
288 1HB ARG 42 1HB ARG 42 -20.248 -7.205 -16.210
289 2HB ARG 42 2HB ARG 42 -20.409 -7.358 -17.955
290 1HG ARG 42 1HG ARG 42 -22.258 -8.593 -17.786
291 2HG ARG 42 2HG ARG 42 -21.591 -9.583 -16.488
292 1HD ARG 42 1HD ARG 42 -23.479 -8.415 -15.613
293 2HD ARG 42 2HD ARG 42 -22.029 -7.685 -14.924
294 HE ARG 42 HE ARG 42 -22.875 -6.327 -17.279
295 1HH1 ARG 42 1HH1 ARG 42 -23.523 -6.683 -13.874
296 2HH1 ARG 42 2HH1 ARG 42 -24.223 -5.108 -13.711
297 1HH2 ARG 42 1HH2 ARG 42 -23.790 -4.251 -17.073
298 2HH2 ARG 42 2HH2 ARG 42 -24.376 -3.726 -15.530
299 H SER 43 H SER 43 -18.803 -11.229 -17.904
300 HA SER 43 HA SER 43 -17.597 -10.658 -20.385
301 1HB SER 43 1HB SER 43 -19.076 -13.222 -19.840
302 2HB SER 43 2HB SER 43 -17.589 -12.975 -20.756
303 HG SER 43 HG SER 43 -17.568 -13.844 -18.434
304 H LYS 44 H LYS 44 -19.534 -8.974 -20.668
305 HA LYS 44 HA LYS 44 -21.044 -9.951 -22.901
306 1HB LYS 44 1HB LYS 44 -22.418 -9.266 -20.310
307 2HB LYS 44 2HB LYS 44 -23.246 -9.134 -21.855
308 1HG LYS 44 1HG LYS 44 -22.741 -11.536 -22.258
309 2HG LYS 44 2HG LYS 44 -22.088 -11.623 -20.621
310 1HD LYS 44 1HD LYS 44 -24.218 -11.072 -19.672
311 2HD LYS 44 2HD LYS 44 -24.893 -10.726 -21.265
312 1HE LYS 44 1HE LYS 44 -23.829 -13.432 -20.484
313 2HE LYS 44 2HE LYS 44 -25.512 -12.960 -20.250
314 1HZ LYS 44 1HZ LYS 44 -24.127 -12.903 -22.875
315 2HZ LYS 44 2HZ LYS 44 -25.086 -14.191 -22.339
316 3HZ LYS 44 3HZ LYS 44 -25.778 -12.669 -22.587
317 H LYS 45 H LYS 45 -21.733 -8.300 -24.239
318 HA LYS 45 HA LYS 45 -20.406 -5.864 -24.140
319 1HB LYS 45 1HB LYS 45 -22.349 -7.127 -25.830
320 2HB LYS 45 2HB LYS 45 -22.806 -5.448 -25.582
321 1HG LYS 45 1HG LYS 45 -21.137 -4.683 -26.852
322 2HG LYS 45 2HG LYS 45 -19.970 -5.820 -26.174
323 1HD LYS 45 1HD LYS 45 -22.095 -6.706 -28.102
324 2HD LYS 45 2HD LYS 45 -20.561 -6.040 -28.664
325 1HE LYS 45 1HE LYS 45 -19.655 -8.055 -28.442
326 2HE LYS 45 2HE LYS 45 -19.919 -7.945 -26.702
327 1HZ LYS 45 1HZ LYS 45 -22.027 -8.882 -28.556
328 2HZ LYS 45 2HZ LYS 45 -20.895 -9.938 -27.875
329 3HZ LYS 45 3HZ LYS 45 -21.949 -9.072 -26.876
330 H THR 46 H THR 46 -22.135 -3.809 -24.538
331 HA THR 46 HA THR 46 -22.998 -2.125 -23.227
332 HB THR 46 HB THR 46 -25.276 -3.200 -22.173
333 HG1 THR 46 HG1 THR 46 -25.270 -5.206 -22.833
334 1HG2 THR 46 1HG2 THR 46 -24.875 -1.415 -24.026
335 2HG2 THR 46 2HG2 THR 46 -25.213 -2.763 -25.112
336 3HG2 THR 46 3HG2 THR 46 -26.415 -2.268 -23.920
337 H MET 47 H MET 47 -21.050 -2.672 -21.735
338 HA MET 47 HA MET 47 -21.923 -3.673 -19.131
339 1HB MET 47 1HB MET 47 -19.478 -3.432 -18.551
340 2HB MET 47 2HB MET 47 -19.847 -4.596 -19.814
341 1HG MET 47 1HG MET 47 -19.402 -2.288 -21.229
342 2HG MET 47 2HG MET 47 -18.242 -2.174 -19.909
343 1HE MET 47 1HE MET 47 -19.933 -4.582 -22.132
344 2HE MET 47 2HE MET 47 -18.760 -4.519 -23.447
345 3HE MET 47 3HE MET 47 -18.787 -5.904 -22.356
346 H LEU 48 H LEU 48 -21.415 -2.469 -17.178
347 HA LEU 48 HA LEU 48 -21.580 0.441 -17.612
348 1HB LEU 48 1HB LEU 48 -23.402 -1.168 -16.361
349 2HB LEU 48 2HB LEU 48 -22.443 -0.600 -15.007
350 HG LEU 48 HG LEU 48 -22.881 1.743 -16.271
351 1HD1 LEU 48 1HD1 LEU 48 -24.959 -0.141 -17.193
352 2HD1 LEU 48 2HD1 LEU 48 -25.512 1.443 -16.649
353 3HD1 LEU 48 3HD1 LEU 48 -24.330 1.321 -17.952
354 1HD2 LEU 48 1HD2 LEU 48 -24.252 0.262 -14.102
355 2HD2 LEU 48 2HD2 LEU 48 -23.373 1.790 -14.055
356 3HD2 LEU 48 3HD2 LEU 48 -25.017 1.738 -14.690
357 H VAL 49 H VAL 49 -20.903 1.659 -15.507
358 HA VAL 49 HA VAL 49 -18.587 0.418 -14.222
359 HB VAL 49 HB VAL 49 -18.476 2.709 -16.108
360 1HG1 VAL 49 1HG1 VAL 49 -17.977 3.824 -14.002
361 2HG1 VAL 49 2HG1 VAL 49 -16.761 2.602 -13.629
362 3HG1 VAL 49 3HG1 VAL 49 -16.527 3.690 -14.997
363 1HG2 VAL 49 1HG2 VAL 49 -17.122 0.208 -15.619
364 2HG2 VAL 49 2HG2 VAL 49 -17.137 1.215 -17.066
365 3HG2 VAL 49 3HG2 VAL 49 -15.973 1.537 -15.780
366 H GLN 50 H GLN 50 -17.829 1.604 -12.339
367 HA GLN 50 HA GLN 50 -18.092 2.829 -10.432
368 1HB GLN 50 1HB GLN 50 -18.486 4.931 -11.107
369 2HB GLN 50 2HB GLN 50 -19.479 4.389 -12.453
370 1HG GLN 50 1HG GLN 50 -21.384 4.149 -10.887
371 2HG GLN 50 2HG GLN 50 -20.373 4.831 -9.614
372 2HE2 GLN 50 2HE2 GLN 50 -19.509 6.996 -9.994
373 1HE2 GLN 50 1HE2 GLN 50 -20.462 8.128 -10.884
374 H LYS 51 H LYS 51 -19.017 2.053 -8.647
375 HA LYS 51 HA LYS 51 -21.691 1.961 -8.030
376 1HB LYS 51 1HB LYS 51 -21.268 0.105 -10.005
377 2HB LYS 51 2HB LYS 51 -21.135 -0.873 -8.550
378 1HG LYS 51 1HG LYS 51 -23.363 -1.051 -8.832
379 2HG LYS 51 2HG LYS 51 -23.363 0.482 -7.956
380 1HD LYS 51 1HD LYS 51 -23.420 1.698 -10.075
381 2HD LYS 51 2HD LYS 51 -23.392 0.171 -10.959
382 1HE LYS 51 1HE LYS 51 -25.651 0.836 -10.924
383 2HE LYS 51 2HE LYS 51 -25.512 -0.431 -9.707
384 1HZ LYS 51 1HZ LYS 51 -25.215 2.380 -8.903
385 2HZ LYS 51 2HZ LYS 51 -26.764 1.753 -9.164
386 3HZ LYS 51 3HZ LYS 51 -25.754 1.058 -7.997
387 H ASN 52 H ASN 52 -21.534 2.036 -5.896
388 HA ASN 52 HA ASN 52 -20.241 -0.079 -4.430
389 1HB ASN 52 1HB ASN 52 -18.528 1.870 -5.063
390 2HB ASN 52 2HB ASN 52 -19.251 2.616 -3.640
391 2HD2 ASN 52 2HD2 ASN 52 -18.532 -0.773 -4.357
392 1HD2 ASN 52 1HD2 ASN 52 -17.482 -1.016 -3.008
393 H VAL 53 H VAL 53 -20.084 1.154 -1.940
394 HA VAL 53 HA VAL 53 -22.665 2.403 -1.441
395 HB VAL 53 HB VAL 53 -22.399 0.383 0.549
396 1HG1 VAL 53 1HG1 VAL 53 -24.405 0.948 -1.622
397 2HG1 VAL 53 2HG1 VAL 53 -24.638 -0.289 -0.387
398 3HG1 VAL 53 3HG1 VAL 53 -24.487 1.405 0.080
399 1HG2 VAL 53 1HG2 VAL 53 -22.148 -0.590 -2.282
400 2HG2 VAL 53 2HG2 VAL 53 -21.202 -1.053 -0.868
401 3HG2 VAL 53 3HG2 VAL 53 -22.878 -1.580 -1.019
402 H THR 54 H THR 54 -21.904 4.191 -0.476
403 HA THR 54 HA THR 54 -20.897 5.556 1.038
404 HB THR 54 HB THR 54 -20.898 3.158 2.869
405 HG1 THR 54 HG1 THR 54 -22.962 3.184 2.380
406 1HG2 THR 54 1HG2 THR 54 -21.205 6.097 3.433
407 2HG2 THR 54 2HG2 THR 54 -21.341 4.798 4.619
408 3HG2 THR 54 3HG2 THR 54 -19.802 5.098 3.813
409 H SER 55 H SER 55 -18.880 6.270 1.045
410 HA SER 55 HA SER 55 -16.656 4.967 2.056
411 1HB SER 55 1HB SER 55 -15.832 4.895 -0.659
412 2HB SER 55 2HB SER 55 -15.987 3.544 0.462
413 HG SER 55 HG SER 55 -17.517 2.920 -0.827
414 H GLU 56 H GLU 56 -14.583 6.062 1.439
415 HA GLU 56 HA GLU 56 -15.101 8.833 0.584
416 1HB GLU 56 1HB GLU 56 -14.106 7.897 3.060
417 2HB GLU 56 2HB GLU 56 -12.751 8.639 2.223
418 1HG GLU 56 1HG GLU 56 -13.503 10.546 3.084
419 2HG GLU 56 2HG GLU 56 -14.730 10.469 1.820
420 H SER 57 H SER 57 -12.406 6.541 1.035
421 HA SER 57 HA SER 57 -11.523 6.150 -1.450
422 1HB SER 57 1HB SER 57 -10.973 8.968 -0.666
423 2HB SER 57 2HB SER 57 -9.703 8.109 -1.536
424 HG SER 57 HG SER 57 -11.711 7.521 -2.929
425 H THR 58 H THR 58 -10.729 6.917 1.811
426 HA THR 58 HA THR 58 -9.010 6.323 3.193
427 HB THR 58 HB THR 58 -8.169 3.948 2.768
428 HG1 THR 58 HG1 THR 58 -8.706 4.106 0.458
429 1HG2 THR 58 1HG2 THR 58 -10.530 4.804 3.867
430 2HG2 THR 58 2HG2 THR 58 -11.049 3.589 2.699
431 3HG2 THR 58 3HG2 THR 58 -9.879 3.166 3.949
432 H CYS 59 H CYS 59 -6.648 5.296 3.150
433 HA CYS 59 HA CYS 59 -4.936 5.312 1.074
434 1HB CYS 59 1HB CYS 59 -4.014 7.722 1.188
435 2HB CYS 59 2HB CYS 59 -5.482 7.436 0.258
436 H CYS 60 H CYS 60 -2.836 5.030 1.711
437 HA CYS 60 HA CYS 60 -2.248 5.519 4.555
438 1HB CYS 60 1HB CYS 60 -0.687 3.338 3.602
439 2HB CYS 60 2HB CYS 60 -1.912 3.336 4.863
440 H VAL 61 H VAL 61 -1.111 7.429 4.118
441 HA VAL 61 HA VAL 61 1.029 7.493 2.201
442 HB VAL 61 HB VAL 61 1.577 9.691 3.445
443 1HG1 VAL 61 1HG1 VAL 61 0.112 9.186 1.297
444 2HG1 VAL 61 2HG1 VAL 61 -1.173 9.804 2.334
445 3HG1 VAL 61 3HG1 VAL 61 0.232 10.808 1.981
446 1HG2 VAL 61 1HG2 VAL 61 -0.159 8.690 5.302
447 2HG2 VAL 61 2HG2 VAL 61 0.301 10.386 5.152
448 3HG2 VAL 61 3HG2 VAL 61 -1.186 9.805 4.400
449 H ALA 62 H ALA 62 1.865 5.429 3.339
450 HA ALA 62 HA ALA 62 3.190 4.409 5.000
451 1HB ALA 62 1HB ALA 62 4.699 6.208 3.214
452 2HB ALA 62 3HB ALA 62 4.832 4.467 3.458
453 3HB ALA 62 2HB ALA 62 5.565 5.578 4.615
454 H LYS 63 H LYS 63 2.877 4.575 6.972
455 HA LYS 63 HA LYS 63 2.755 6.767 8.639
456 1HB LYS 63 1HB LYS 63 4.144 4.553 9.867
457 2HB LYS 63 2HB LYS 63 2.539 5.173 10.212
458 1HG LYS 63 1HG LYS 63 2.285 3.799 7.843
459 2HG LYS 63 2HG LYS 63 3.370 2.832 8.824
460 1HD LYS 63 1HD LYS 63 1.357 3.620 10.571
461 2HD LYS 63 2HD LYS 63 0.522 3.207 9.075
462 1HE LYS 63 1HE LYS 63 2.248 1.141 9.263
463 2HE LYS 63 2HE LYS 63 1.977 1.490 10.970
464 1HZ LYS 63 1HZ LYS 63 -0.485 1.533 9.600
465 2HZ LYS 63 2HZ LYS 63 0.316 0.088 9.237
466 3HZ LYS 63 3HZ LYS 63 0.013 0.504 10.849
467 H SER 64 H SER 64 5.386 4.670 7.735
468 HA SER 64 HA SER 64 7.243 6.766 8.432
469 1HB SER 64 1HB SER 64 8.852 4.743 8.949
470 2HB SER 64 2HB SER 64 7.736 5.332 10.179
471 HG SER 64 HG SER 64 7.449 3.074 8.499
472 H TYR 65 H TYR 65 9.260 6.703 7.176
473 HA TYR 65 HA TYR 65 9.047 5.100 4.730
474 1HB TYR 65 1HB TYR 65 9.757 7.250 3.505
475 2HB TYR 65 2HB TYR 65 8.067 7.044 3.951
476 HD1 TYR 65 HD1 TYR 65 7.699 7.933 6.564
477 HD2 TYR 65 HD2 TYR 65 10.513 9.401 3.730
478 HE1 TYR 65 HE1 TYR 65 7.775 10.081 7.759
479 HE2 TYR 65 HE2 TYR 65 10.594 11.552 4.916
480 HH TYR 65 HH TYR 65 8.748 12.810 6.581
481 H ASN 66 H ASN 66 10.933 5.103 3.409
482 HA ASN 66 HA ASN 66 13.379 5.838 4.877
483 1HB ASN 66 1HB ASN 66 12.545 3.189 4.248
484 2HB ASN 66 2HB ASN 66 13.932 3.579 3.236
485 2HD2 ASN 66 2HD2 ASN 66 15.914 4.040 4.196
486 1HD2 ASN 66 1HD2 ASN 66 16.262 3.589 5.828
487 H ARG 67 H ARG 67 11.770 7.034 2.983
488 HA ARG 67 HA ARG 67 11.887 7.335 0.506
489 1HB ARG 67 1HB ARG 67 12.077 9.198 2.484
490 2HB ARG 67 2HB ARG 67 13.482 9.570 1.499
491 1HG ARG 67 1HG ARG 67 11.444 9.232 -0.339
492 2HG ARG 67 2HG ARG 67 10.684 10.084 1.009
493 1HD ARG 67 1HD ARG 67 13.306 10.959 -0.176
494 2HD ARG 67 2HD ARG 67 11.757 11.516 -0.804
495 HE ARG 67 HE ARG 67 11.497 12.120 1.767
496 1HH1 ARG 67 1HH1 ARG 67 14.182 12.618 -0.401
497 2HH1 ARG 67 2HH1 ARG 67 14.744 14.035 0.422
498 1HH2 ARG 67 1HH2 ARG 67 12.229 13.978 2.850
499 2HH2 ARG 67 2HH2 ARG 67 13.635 14.808 2.271
500 H VAL 68 H VAL 68 13.051 6.951 -1.178
501 HA VAL 68 HA VAL 68 15.977 7.097 -1.011
502 HB VAL 68 HB VAL 68 16.293 5.085 -2.207
503 1HG1 VAL 68 1HG1 VAL 68 15.052 5.039 0.238
504 2HG1 VAL 68 2HG1 VAL 68 14.069 3.934 -0.718
505 3HG1 VAL 68 3HG1 VAL 68 15.799 3.656 -0.560
506 1HG2 VAL 68 1HG2 VAL 68 13.902 5.704 -3.463
507 2HG2 VAL 68 2HG2 VAL 68 14.895 4.275 -3.743
508 3HG2 VAL 68 3HG2 VAL 68 13.554 4.213 -2.599
509 H THR 69 H THR 69 14.404 9.129 -1.876
510 HA THR 69 HA THR 69 13.450 9.722 -4.167
511 HB THR 69 HB THR 69 16.014 10.997 -3.227
512 HG1 THR 69 HG1 THR 69 14.708 12.383 -2.187
513 1HG2 THR 69 1HG2 THR 69 14.980 11.361 -5.714
514 2HG2 THR 69 2HG2 THR 69 14.177 12.631 -4.791
515 3HG2 THR 69 3HG2 THR 69 15.938 12.546 -4.826
516 H VAL 70 H VAL 70 13.546 8.998 -6.132
517 HA VAL 70 HA VAL 70 16.159 8.280 -7.282
518 HB VAL 70 HB VAL 70 13.951 6.847 -8.495
519 1HG1 VAL 70 1HG1 VAL 70 16.519 6.535 -8.590
520 2HG1 VAL 70 2HG1 VAL 70 16.298 5.640 -7.086
521 3HG1 VAL 70 3HG1 VAL 70 15.485 5.110 -8.557
522 1HG2 VAL 70 1HG2 VAL 70 14.150 6.850 -5.563
523 2HG2 VAL 70 2HG2 VAL 70 12.813 6.373 -6.611
524 3HG2 VAL 70 3HG2 VAL 70 14.140 5.251 -6.305
525 H MET 71 H MET 71 15.454 7.686 -9.779
526 HA MET 71 HA MET 71 15.392 8.769 -11.788
527 1HB MET 71 1HB MET 71 12.749 9.919 -11.056
528 2HB MET 71 2HB MET 71 13.242 9.091 -12.525
529 1HG MET 71 1HG MET 71 13.294 7.388 -10.177
530 2HG MET 71 2HG MET 71 11.704 8.063 -10.520
531 1HE MET 71 1HE MET 71 14.504 7.575 -12.843
532 2HE MET 71 2HE MET 71 14.627 5.820 -12.724
533 3HE MET 71 3HE MET 71 13.870 6.559 -14.135
534 H GLY 72 H GLY 72 13.440 11.207 -11.901
535 1HA GLY 72 1HA GLY 72 13.876 13.441 -12.224
536 2HA GLY 72 2HA GLY 72 15.531 13.157 -11.709
537 H GLY 73 H GLY 73 14.362 11.833 -9.213
538 1HA GLY 73 1HA GLY 73 13.806 14.355 -7.788
539 2HA GLY 73 2HA GLY 73 14.701 13.011 -7.094
540 H PHE 74 H PHE 74 13.025 10.894 -7.921
541 HA PHE 74 HA PHE 74 10.314 11.378 -7.186
542 1HB PHE 74 1HB PHE 74 11.964 8.915 -7.659
543 2HB PHE 74 2HB PHE 74 10.353 8.777 -6.963
544 HD1 PHE 74 HD1 PHE 74 11.552 11.141 -9.557
545 HD2 PHE 74 HD2 PHE 74 9.108 7.775 -8.661
546 HE1 PHE 74 HE1 PHE 74 10.568 11.262 -11.809
547 HE2 PHE 74 HE2 PHE 74 8.121 7.888 -10.913
548 HZ PHE 74 HZ PHE 74 8.849 9.634 -12.489
549 H LYS 75 H LYS 75 9.496 9.600 -5.403
550 HA LYS 75 HA LYS 75 11.161 9.576 -3.051
551 1HB LYS 75 1HB LYS 75 8.699 10.883 -2.282
552 2HB LYS 75 2HB LYS 75 10.361 11.343 -1.942
553 1HG LYS 75 1HG LYS 75 9.241 13.119 -3.116
554 2HG LYS 75 2HG LYS 75 10.489 12.422 -4.150
555 1HD LYS 75 1HD LYS 75 8.969 11.995 -5.715
556 2HD LYS 75 2HD LYS 75 8.066 10.992 -4.576
557 1HE LYS 75 1HE LYS 75 6.467 12.529 -4.398
558 2HE LYS 75 2HE LYS 75 7.648 13.780 -4.008
559 1HZ LYS 75 1HZ LYS 75 7.224 12.905 -6.796
560 2HZ LYS 75 2HZ LYS 75 6.227 14.075 -6.091
561 3HZ LYS 75 3HZ LYS 75 7.888 14.353 -6.230
562 H VAL 76 H VAL 76 10.794 7.368 -2.929
563 HA VAL 76 HA VAL 76 8.076 6.359 -2.743
564 HB VAL 76 HB VAL 76 9.189 4.071 -2.420
565 1HG1 VAL 76 1HG1 VAL 76 8.978 5.582 -4.758
566 2HG1 VAL 76 2HG1 VAL 76 10.665 5.071 -4.765
567 3HG1 VAL 76 3HG1 VAL 76 9.381 3.870 -4.662
568 1HG2 VAL 76 1HG2 VAL 76 11.327 5.859 -1.771
569 2HG2 VAL 76 2HG2 VAL 76 11.312 4.099 -1.705
570 3HG2 VAL 76 3HG2 VAL 76 11.835 4.924 -3.174
571 H GLU 77 H GLU 77 9.730 8.070 -0.860
572 HA GLU 77 HA GLU 77 10.400 8.011 1.413
573 1HB GLU 77 1HB GLU 77 7.762 7.225 2.318
574 2HB GLU 77 2HB GLU 77 8.526 8.805 2.414
575 1HG GLU 77 1HG GLU 77 7.296 7.863 -0.141
576 2HG GLU 77 2HG GLU 77 6.297 8.541 1.145
577 H ASN 78 H ASN 78 11.043 5.770 0.126
578 HA ASN 78 HA ASN 78 10.550 3.403 0.141
579 1HB ASN 78 1HB ASN 78 12.952 4.086 0.444
580 2HB ASN 78 2HB ASN 78 12.710 3.880 2.179
581 H HIS 79 H HIS 79 8.502 3.727 1.096
582 HA HIS 79 HA HIS 79 7.654 3.940 3.540
583 1HB HIS 79 1HB HIS 79 6.703 1.884 1.565
584 2HB HIS 79 2HB HIS 79 5.806 2.349 3.014
585 HD1 HIS 79 HD1 HIS 79 4.132 3.078 0.829
586 HD2 HIS 79 HD2 HIS 79 7.415 5.399 1.814
587 HE1 HIS 79 HE1 HIS 79 3.721 5.342 -0.228
588 H THR 80 H THR 80 7.930 3.235 5.374
589 HA THR 80 HA THR 80 9.024 0.531 5.759
590 HB THR 80 HB THR 80 10.113 1.281 7.707
591 HG1 THR 80 HG1 THR 80 9.217 2.694 8.942
592 1HG2 THR 80 1HG2 THR 80 10.513 2.660 5.304
593 2HG2 THR 80 2HG2 THR 80 10.577 3.873 6.582
594 3HG2 THR 80 3HG2 THR 80 11.646 2.471 6.641
595 H ALA 81 H ALA 81 6.487 2.793 6.703
596 HA ALA 81 HA ALA 81 4.920 0.541 7.663
597 1HB ALA 81 1HB ALA 81 6.053 1.639 9.638
598 2HB ALA 81 2HB ALA 81 5.130 3.094 9.261
599 3HB ALA 81 3HB ALA 81 4.292 1.607 9.706
600 H CYS 82 H CYS 82 2.692 0.852 7.223
601 HA CYS 82 HA CYS 82 2.020 3.409 5.926
602 1HB CYS 82 1HB CYS 82 1.893 0.686 4.821
603 2HB CYS 82 2HB CYS 82 0.446 1.655 4.562
604 H HIS 83 H HIS 83 0.191 4.354 6.598
605 HA HIS 83 HA HIS 83 -1.718 2.705 8.123
606 1HB HIS 83 1HB HIS 83 -2.167 4.497 9.601
607 2HB HIS 83 2HB HIS 83 -0.419 4.377 9.501
608 HD1 HIS 83 HD1 HIS 83 -2.252 6.954 10.207
609 HD2 HIS 83 HD2 HIS 83 -0.169 6.207 6.691
610 HE1 HIS 83 HE1 HIS 83 -1.867 9.208 9.164
611 HE2 HIS 83 HE2 HIS 83 -0.479 8.740 7.116
612 H CYS 84 H CYS 84 -3.367 2.374 6.821
613 HA CYS 84 HA CYS 84 -4.241 4.339 4.898
614 1HB CYS 84 1HB CYS 84 -5.058 2.548 3.838
615 2HB CYS 84 2HB CYS 84 -4.464 1.539 5.149
616 H SER 85 H SER 85 -6.152 5.507 4.923
617 HA SER 85 HA SER 85 -8.319 5.251 6.574
618 1HB SER 85 1HB SER 85 -7.740 7.081 8.314
619 2HB SER 85 2HB SER 85 -7.121 5.452 8.578
620 HG SER 85 HG SER 85 -5.303 6.527 8.765
621 H THR 86 H THR 86 -9.163 7.675 7.232
622 HA THR 86 HA THR 86 -9.966 8.871 4.906
623 HB THR 86 HB THR 86 -10.691 10.740 6.218
624 HG1 THR 86 HG1 THR 86 -9.146 9.913 8.412
625 1HG2 THR 86 1HG2 THR 86 -10.860 8.090 7.512
626 2HG2 THR 86 2HG2 THR 86 -11.323 9.495 8.472
627 3HG2 THR 86 3HG2 THR 86 -12.137 9.164 6.943
628 H CYS 87 H CYS 87 -9.044 10.099 3.401
629 HA CYS 87 HA CYS 87 -6.291 10.764 3.510
630 1HB CYS 87 1HB CYS 87 -8.508 11.090 1.584
631 2HB CYS 87 2HB CYS 87 -7.214 12.276 1.451
632 H TYR 88 H TYR 88 -6.729 11.901 5.690
633 HA TYR 88 HA TYR 88 -6.555 14.739 5.181
634 1HB TYR 88 1HB TYR 88 -8.952 13.509 6.351
635 2HB TYR 88 2HB TYR 88 -8.287 14.831 7.304
636 HD1 TYR 88 HD1 TYR 88 -9.713 13.915 4.027
637 HD2 TYR 88 HD2 TYR 88 -8.435 17.091 6.553
638 HE1 TYR 88 HE1 TYR 88 -10.792 15.535 2.526
639 HE2 TYR 88 HE2 TYR 88 -9.512 18.720 5.058
640 HH TYR 88 HH TYR 88 -11.777 18.058 2.945
641 H TYR 89 H TYR 89 -5.392 15.831 6.718
642 HA TYR 89 HA TYR 89 -3.991 16.168 8.477
643 1HB TYR 89 1HB TYR 89 -5.839 14.092 9.561
644 2HB TYR 89 2HB TYR 89 -4.366 14.450 10.459
645 HD1 TYR 89 HD1 TYR 89 -6.507 16.786 8.519
646 HD2 TYR 89 HD2 TYR 89 -5.152 15.568 12.362
647 HE1 TYR 89 HE1 TYR 89 -7.602 18.749 9.519
648 HE2 TYR 89 HE2 TYR 89 -6.245 17.524 13.376
649 HH TYR 89 HH TYR 89 -6.941 19.908 12.488
650 H HIS 90 H HIS 90 -2.374 15.446 6.896
651 HA HIS 90 HA HIS 90 -1.394 12.764 6.967
652 1HB HIS 90 1HB HIS 90 -0.495 15.337 5.738
653 2HB HIS 90 2HB HIS 90 0.660 14.014 5.860
654 HD1 HIS 90 HD1 HIS 90 -3.000 14.134 4.782
655 HD2 HIS 90 HD2 HIS 90 0.696 12.753 3.477
656 HE1 HIS 90 HE1 HIS 90 -3.447 12.984 2.591
657 HE2 HIS 90 HE2 HIS 90 -1.186 12.223 1.783
658 H LYS 91 H LYS 91 -0.460 15.808 8.484
659 HA LYS 91 HA LYS 91 1.361 16.260 9.875
660 1HB LYS 91 1HB LYS 91 -0.769 14.686 11.094
661 2HB LYS 91 2HB LYS 91 0.750 14.549 11.969
662 1HG LYS 91 1HG LYS 91 -0.571 17.153 11.236
663 2HG LYS 91 2HG LYS 91 -0.711 16.355 12.805
664 1HD LYS 91 1HD LYS 91 1.916 16.394 12.696
665 2HD LYS 91 2HD LYS 91 1.633 17.721 11.568
666 1HE LYS 91 1HE LYS 91 0.608 19.043 13.185
667 2HE LYS 91 2HE LYS 91 0.257 17.663 14.225
668 1HZ LYS 91 1HZ LYS 91 2.955 17.645 14.092
669 2HZ LYS 91 2HZ LYS 91 2.617 19.302 14.088
670 3HZ LYS 91 3HZ LYS 91 2.049 18.325 15.348
671 H SER 92 H SER 92 2.906 15.156 8.352
672 HA SER 92 HA SER 92 3.789 12.548 8.602
673 1HB SER 92 1HB SER 92 6.020 13.472 7.803
674 2HB SER 92 2HB SER 92 4.624 13.864 6.799
675 HG SER 92 HG SER 92 5.495 15.800 7.043
No H/Q in entry = 675
Start of MODEL 24
1 H1 ALA 1 H1 ALA 1 -4.530 -16.926 11.650
2 H2 ALA 1 H2 ALA 1 -6.014 -16.070 11.732
3 H3 ALA 1 H3 ALA 1 -5.762 -17.226 10.492
4 HA ALA 1 HA ALA 1 -4.570 -15.880 9.253
5 1HB ALA 1 1HB ALA 1 -5.868 -14.084 9.022
6 2HB ALA 1 3HB ALA 1 -5.385 -13.443 10.593
7 3HB ALA 1 2HB ALA 1 -6.702 -14.613 10.484
8 HA PRO 2 HA PRO 2 -1.127 -14.784 12.141
9 1HB PRO 2 1HB PRO 2 0.617 -16.706 11.487
10 2HB PRO 2 2HB PRO 2 -0.707 -17.005 12.618
11 1HG PRO 2 1HG PRO 2 -0.424 -17.825 9.775
12 2HG PRO 2 2HG PRO 2 -1.223 -18.663 11.114
13 1HD PRO 2 1HD PRO 2 -2.473 -17.107 9.127
14 2HD PRO 2 2HD PRO 2 -3.213 -17.695 10.627
15 H ASP 3 H ASP 3 -0.798 -15.962 8.795
16 HA ASP 3 HA ASP 3 1.070 -13.740 8.289
17 1HB ASP 3 1HB ASP 3 1.674 -16.388 8.095
18 2HB ASP 3 2HB ASP 3 1.167 -16.035 6.445
19 H VAL 4 H VAL 4 -1.668 -13.355 8.074
20 HA VAL 4 HA VAL 4 -1.872 -12.734 5.240
21 HB VAL 4 HB VAL 4 -3.833 -13.845 4.772
22 1HG1 VAL 4 1HG1 VAL 4 -2.421 -15.607 6.769
23 2HG1 VAL 4 2HG1 VAL 4 -3.650 -16.167 5.634
24 3HG1 VAL 4 3HG1 VAL 4 -2.126 -15.516 5.032
25 1HG2 VAL 4 1HG2 VAL 4 -4.331 -13.933 7.739
26 2HG2 VAL 4 2HG2 VAL 4 -5.243 -13.061 6.507
27 3HG2 VAL 4 3HG2 VAL 4 -5.310 -14.822 6.574
28 H GLN 5 H GLN 5 -4.029 -11.467 4.879
29 HA GLN 5 HA GLN 5 -5.029 -10.022 7.148
30 1HB GLN 5 1HB GLN 5 -2.840 -8.925 5.523
31 2HB GLN 5 2HB GLN 5 -4.210 -7.840 5.716
32 1HG GLN 5 1HG GLN 5 -2.567 -9.095 7.899
33 2HG GLN 5 2HG GLN 5 -2.613 -7.394 7.438
34 2HE2 GLN 5 2HE2 GLN 5 -3.019 -7.569 9.922
35 1HE2 GLN 5 1HE2 GLN 5 -4.684 -7.520 10.382
36 H ASP 6 H ASP 6 -6.408 -11.534 5.378
37 HA ASP 6 HA ASP 6 -8.391 -11.413 4.244
38 1HB ASP 6 1HB ASP 6 -8.388 -9.013 5.402
39 2HB ASP 6 2HB ASP 6 -8.175 -8.486 3.735
40 H CYS 7 H CYS 7 -9.169 -10.061 2.036
41 HA CYS 7 HA CYS 7 -8.623 -11.003 -0.184
42 1HB CYS 7 1HB CYS 7 -8.079 -8.823 -1.332
43 2HB CYS 7 2HB CYS 7 -9.489 -8.788 -0.278
44 HA PRO 8 HA PRO 8 -4.326 -12.303 -0.220
45 1HB PRO 8 1HB PRO 8 -5.149 -13.092 -2.967
46 2HB PRO 8 2HB PRO 8 -4.360 -14.051 -1.710
47 1HG PRO 8 1HG PRO 8 -6.936 -14.413 -2.279
48 2HG PRO 8 2HG PRO 8 -6.355 -14.482 -0.605
49 1HD PRO 8 1HD PRO 8 -7.825 -12.294 -2.015
50 2HD PRO 8 2HD PRO 8 -7.985 -12.864 -0.340
51 H GLU 9 H GLU 9 -3.773 -9.963 -0.284
52 HA GLU 9 HA GLU 9 -2.032 -9.303 -2.275
53 1HB GLU 9 1HB GLU 9 -3.434 -7.499 -3.482
54 2HB GLU 9 2HB GLU 9 -3.609 -9.177 -3.975
55 1HG GLU 9 1HG GLU 9 -5.490 -8.752 -1.936
56 2HG GLU 9 2HG GLU 9 -5.589 -7.360 -3.011
57 H CYS 10 H CYS 10 -1.872 -6.724 -2.488
58 HA CYS 10 HA CYS 10 -1.715 -4.669 -1.461
59 1HB CYS 10 1HB CYS 10 -3.774 -5.873 0.053
60 2HB CYS 10 2HB CYS 10 -2.611 -5.247 1.217
61 H THR 11 H THR 11 0.501 -4.782 -1.478
62 HA THR 11 HA THR 11 1.767 -5.111 1.086
63 HB THR 11 HB THR 11 1.914 -7.394 0.550
64 HG1 THR 11 HG1 THR 11 3.967 -6.336 1.020
65 1HG2 THR 11 1HG2 THR 11 2.100 -6.467 -2.218
66 2HG2 THR 11 2HG2 THR 11 3.149 -7.826 -1.815
67 3HG2 THR 11 3HG2 THR 11 1.409 -7.948 -1.554
68 H LEU 12 H LEU 12 4.143 -5.721 -0.991
69 HA LEU 12 HA LEU 12 4.471 -2.940 -1.833
70 1HB LEU 12 1HB LEU 12 6.270 -4.542 -0.109
71 2HB LEU 12 2HB LEU 12 6.986 -3.408 -1.242
72 HG LEU 12 HG LEU 12 5.639 -1.583 -0.242
73 1HD1 LEU 12 1HD1 LEU 12 4.405 -3.845 1.116
74 2HD1 LEU 12 2HD1 LEU 12 4.869 -2.537 2.206
75 3HD1 LEU 12 3HD1 LEU 12 3.800 -2.210 0.842
76 1HD2 LEU 12 1HD2 LEU 12 7.621 -3.187 1.268
77 2HD2 LEU 12 2HD2 LEU 12 7.714 -1.535 0.664
78 3HD2 LEU 12 3HD2 LEU 12 6.788 -1.890 2.123
79 H GLN 13 H GLN 13 5.117 -2.682 -3.852
80 HA GLN 13 HA GLN 13 5.968 -5.094 -5.268
81 1HB GLN 13 1HB GLN 13 4.719 -2.578 -6.287
82 2HB GLN 13 2HB GLN 13 5.258 -3.910 -7.303
83 1HG GLN 13 1HG GLN 13 3.702 -5.295 -5.688
84 2HG GLN 13 2HG GLN 13 2.920 -3.727 -5.492
85 2HE2 GLN 13 2HE2 GLN 13 2.708 -6.500 -7.118
86 1HE2 GLN 13 1HE2 GLN 13 1.982 -5.959 -8.589
87 H GLU 14 H GLU 14 7.908 -4.219 -3.995
88 HA GLU 14 HA GLU 14 9.731 -2.579 -4.079
89 1HB GLU 14 1HB GLU 14 10.299 -5.024 -4.096
90 2HB GLU 14 2HB GLU 14 10.452 -4.899 -5.843
91 1HG GLU 14 1HG GLU 14 12.097 -2.961 -5.296
92 2HG GLU 14 2HG GLU 14 12.175 -3.723 -3.707
93 H ASN 15 H ASN 15 10.318 -0.932 -5.073
94 HA ASN 15 HA ASN 15 9.389 0.032 -7.439
95 1HB ASN 15 1HB ASN 15 11.130 0.844 -5.429
96 2HB ASN 15 2HB ASN 15 11.987 1.090 -6.944
97 2HD2 ASN 15 2HD2 ASN 15 11.814 3.302 -6.314
98 1HD2 ASN 15 1HD2 ASN 15 10.394 4.185 -6.738
99 HA PRO 16 HA PRO 16 11.898 -2.527 -10.187
100 1HB PRO 16 1HB PRO 16 10.445 -2.006 -12.423
101 2HB PRO 16 2HB PRO 16 9.960 -3.215 -11.230
102 1HG PRO 16 1HG PRO 16 9.002 -0.401 -11.571
103 2HG PRO 16 2HG PRO 16 8.067 -1.866 -11.223
104 1HD PRO 16 1HD PRO 16 8.752 -0.078 -9.300
105 2HD PRO 16 2HD PRO 16 8.580 -1.813 -8.978
106 H PHE 17 H PHE 17 11.766 0.620 -9.651
107 HA PHE 17 HA PHE 17 13.405 1.355 -11.988
108 1HB PHE 17 1HB PHE 17 12.820 3.674 -10.529
109 2HB PHE 17 2HB PHE 17 12.155 3.213 -12.088
110 HD1 PHE 17 HD1 PHE 17 10.235 1.216 -11.618
111 HD2 PHE 17 HD2 PHE 17 11.295 4.509 -9.152
112 HE1 PHE 17 HE1 PHE 17 8.005 1.167 -10.597
113 HE2 PHE 17 HE2 PHE 17 9.074 4.477 -8.124
114 HZ PHE 17 HZ PHE 17 7.406 2.803 -8.850
115 H PHE 18 H PHE 18 12.970 2.175 -8.584
116 HA PHE 18 HA PHE 18 15.612 3.125 -8.272
117 1HB PHE 18 1HB PHE 18 13.358 3.482 -6.865
118 2HB PHE 18 2HB PHE 18 14.120 2.241 -5.881
119 HD1 PHE 18 HD1 PHE 18 16.869 2.828 -5.771
120 HD2 PHE 18 HD2 PHE 18 13.608 5.556 -5.941
121 HE1 PHE 18 HE1 PHE 18 18.255 4.544 -4.683
122 HE2 PHE 18 HE2 PHE 18 14.990 7.279 -4.854
123 HZ PHE 18 HZ PHE 18 17.316 6.774 -4.224
124 H SER 19 H SER 19 14.215 0.043 -8.278
125 HA SER 19 HA SER 19 15.664 -1.410 -6.440
126 1HB SER 19 1HB SER 19 14.163 -2.800 -7.443
127 2HB SER 19 2HB SER 19 14.341 -2.026 -9.017
128 HG SER 19 HG SER 19 16.446 -3.564 -7.967
129 H GLN 20 H GLN 20 17.754 -0.457 -6.315
130 HA GLN 20 HA GLN 20 19.568 -1.261 -8.497
131 1HB GLN 20 1HB GLN 20 19.771 1.082 -6.600
132 2HB GLN 20 2HB GLN 20 21.053 0.591 -7.697
133 1HG GLN 20 1HG GLN 20 18.317 1.228 -8.720
134 2HG GLN 20 2HG GLN 20 19.485 2.506 -8.380
135 2HE2 GLN 20 2HE2 GLN 20 21.400 2.602 -9.599
136 1HE2 GLN 20 1HE2 GLN 20 21.531 1.829 -11.139
137 HA PRO 21 HA PRO 21 21.978 -3.826 -5.857
138 1HB PRO 21 1HB PRO 21 24.520 -2.762 -6.232
139 2HB PRO 21 2HB PRO 21 23.747 -3.946 -7.292
140 1HG PRO 21 1HG PRO 21 23.941 -0.976 -7.587
141 2HG PRO 21 2HG PRO 21 24.081 -2.238 -8.827
142 1HD PRO 21 1HD PRO 21 21.842 -0.808 -8.578
143 2HD PRO 21 2HD PRO 21 21.776 -2.543 -8.949
144 H GLY 22 H GLY 22 20.792 -2.541 -4.110
145 1HA GLY 22 1HA GLY 22 22.554 -0.708 -2.654
146 2HA GLY 22 2HA GLY 22 22.032 -2.177 -1.841
147 H ALA 23 H ALA 23 19.742 -0.957 -4.022
148 HA ALA 23 HA ALA 23 18.030 -0.187 -1.815
149 1HB ALA 23 2HB ALA 23 18.521 1.994 -2.023
150 2HB ALA 23 1HB ALA 23 19.308 1.758 -3.584
151 3HB ALA 23 3HB ALA 23 17.556 1.928 -3.498
152 HA PRO 24 HA PRO 24 15.328 -2.027 -4.819
153 1HB PRO 24 1HB PRO 24 14.446 -3.904 -3.133
154 2HB PRO 24 2HB PRO 24 16.072 -3.991 -3.816
155 1HG PRO 24 1HG PRO 24 15.250 -3.407 -1.057
156 2HG PRO 24 2HG PRO 24 16.831 -3.909 -1.674
157 1HD PRO 24 1HD PRO 24 15.846 -1.228 -1.076
158 2HD PRO 24 2HD PRO 24 17.507 -1.773 -1.394
159 H ILE 25 H ILE 25 14.504 0.325 -4.085
160 HA ILE 25 HA ILE 25 12.644 0.913 -2.301
161 HB ILE 25 HB ILE 25 12.729 1.590 -5.217
162 1HG1 ILE 25 1HG1 ILE 25 14.690 2.233 -4.045
163 2HG1 ILE 25 2HG1 ILE 25 13.703 3.689 -4.173
164 1HG2 ILE 25 1HG2 ILE 25 11.066 2.698 -2.967
165 2HG2 ILE 25 2HG2 ILE 25 11.452 3.661 -4.390
166 3HG2 ILE 25 3HG2 ILE 25 10.513 2.180 -4.555
167 1HD1 ILE 25 1HD1 ILE 25 12.761 2.924 -1.881
168 2HD1 ILE 25 2HD1 ILE 25 14.246 1.979 -1.801
169 3HD1 ILE 25 3HD1 ILE 25 14.328 3.732 -1.963
170 H LEU 26 H LEU 26 10.215 1.448 -3.089
171 HA LEU 26 HA LEU 26 8.879 -0.978 -4.020
172 1HB LEU 26 1HB LEU 26 7.815 0.045 -1.559
173 2HB LEU 26 2HB LEU 26 8.305 -1.598 -1.970
174 HG LEU 26 HG LEU 26 10.368 0.460 -1.493
175 1HD1 LEU 26 1HD1 LEU 26 8.473 0.114 0.417
176 2HD1 LEU 26 2HD1 LEU 26 9.650 -1.115 0.876
177 3HD1 LEU 26 3HD1 LEU 26 10.147 0.568 0.737
178 1HD2 LEU 26 1HD2 LEU 26 10.415 -2.224 -2.108
179 2HD2 LEU 26 2HD2 LEU 26 11.764 -1.275 -1.483
180 3HD2 LEU 26 3HD2 LEU 26 10.750 -2.201 -0.377
181 H GLN 27 H GLN 27 6.506 -0.508 -2.997
182 HA GLN 27 HA GLN 27 5.279 1.907 -3.058
183 1HB GLN 27 1HB GLN 27 6.067 2.609 -5.114
184 2HB GLN 27 2HB GLN 27 5.931 1.011 -5.831
185 1HG GLN 27 1HG GLN 27 3.645 1.229 -6.185
186 2HG GLN 27 2HG GLN 27 3.492 2.532 -5.008
187 2HE2 GLN 27 2HE2 GLN 27 2.634 4.090 -6.263
188 1HE2 GLN 27 1HE2 GLN 27 3.411 4.765 -7.651
189 H CYS 28 H CYS 28 4.431 0.077 -1.700
190 HA CYS 28 HA CYS 28 3.035 -2.038 -2.041
191 1HB CYS 28 1HB CYS 28 2.750 -0.801 -0.001
192 2HB CYS 28 2HB CYS 28 1.815 0.438 -0.831
193 H MET 29 H MET 29 1.935 -2.909 -3.629
194 HA MET 29 HA MET 29 -0.251 -1.370 -4.833
195 1HB MET 29 1HB MET 29 2.194 -2.204 -6.196
196 2HB MET 29 2HB MET 29 0.740 -2.790 -6.991
197 1HG MET 29 1HG MET 29 0.055 -0.711 -7.585
198 2HG MET 29 2HG MET 29 0.792 0.056 -6.180
199 1HE MET 29 1HE MET 29 0.714 -0.162 -9.712
200 2HE MET 29 2HE MET 29 2.355 -0.055 -10.351
201 3HE MET 29 3HE MET 29 1.730 -1.602 -9.776
202 H GLY 30 H GLY 30 -1.738 -2.642 -3.773
203 1HA GLY 30 1HA GLY 30 -1.837 -5.264 -3.242
204 2HA GLY 30 2HA GLY 30 -2.183 -5.251 -4.961
205 H CYS 31 H CYS 31 -3.812 -5.999 -2.580
206 HA CYS 31 HA CYS 31 -6.315 -5.604 -3.294
207 1HB CYS 31 1HB CYS 31 -5.482 -6.680 -1.146
208 2HB CYS 31 2HB CYS 31 -5.550 -5.077 -0.423
209 H CYS 32 H CYS 32 -8.019 -4.115 -2.933
210 HA CYS 32 HA CYS 32 -9.006 -2.068 -2.658
211 1HB CYS 32 1HB CYS 32 -6.286 -1.093 -1.756
212 2HB CYS 32 2HB CYS 32 -7.802 -0.212 -1.617
213 H PHE 33 H PHE 33 -7.051 -3.072 -4.892
214 HA PHE 33 HA PHE 33 -6.719 -0.529 -6.308
215 1HB PHE 33 1HB PHE 33 -5.492 -2.065 -7.996
216 2HB PHE 33 2HB PHE 33 -4.704 -1.692 -6.469
217 HD1 PHE 33 HD1 PHE 33 -7.470 -4.052 -6.456
218 HD2 PHE 33 HD2 PHE 33 -3.249 -3.634 -6.793
219 HE1 PHE 33 HE1 PHE 33 -7.199 -6.456 -6.003
220 HE2 PHE 33 HE2 PHE 33 -2.971 -6.038 -6.347
221 HZ PHE 33 HZ PHE 33 -4.943 -7.452 -5.943
222 H SER 34 H SER 34 -9.227 -2.269 -5.875
223 HA SER 34 HA SER 34 -10.096 -2.158 -8.681
224 1HB SER 34 1HB SER 34 -11.636 -4.159 -7.950
225 2HB SER 34 2HB SER 34 -9.970 -4.463 -8.445
226 HG SER 34 HG SER 34 -9.387 -4.585 -6.279
227 H ARG 35 H ARG 35 -10.924 -1.967 -5.278
228 HA ARG 35 HA ARG 35 -13.524 -1.622 -5.034
229 1HB ARG 35 1HB ARG 35 -11.393 -0.761 -3.573
230 2HB ARG 35 2HB ARG 35 -12.126 0.770 -4.032
231 1HG ARG 35 1HG ARG 35 -14.286 -0.713 -3.219
232 2HG ARG 35 2HG ARG 35 -13.012 -1.232 -2.115
233 1HD ARG 35 1HD ARG 35 -14.351 0.728 -1.325
234 2HD ARG 35 2HD ARG 35 -12.611 1.003 -1.401
235 HE ARG 35 HE ARG 35 -14.036 1.823 -3.766
236 1HH1 ARG 35 1HH1 ARG 35 -12.957 2.758 -0.593
237 2HH1 ARG 35 2HH1 ARG 35 -12.960 4.454 -0.946
238 1HH2 ARG 35 1HH2 ARG 35 -14.050 4.053 -4.246
239 2HH2 ARG 35 2HH2 ARG 35 -13.584 5.191 -3.026
240 H ALA 36 H ALA 36 -14.629 -1.091 -6.910
241 HA ALA 36 HA ALA 36 -15.388 1.557 -7.273
242 1HB ALA 36 1HB ALA 36 -13.703 2.439 -8.419
243 2HB ALA 36 3HB ALA 36 -14.199 1.410 -9.763
244 3HB ALA 36 2HB ALA 36 -12.943 0.865 -8.652
245 H TYR 37 H TYR 37 -16.453 -1.091 -7.200
246 HA TYR 37 HA TYR 37 -17.297 -2.572 -9.113
247 1HB TYR 37 1HB TYR 37 -19.111 -0.941 -7.353
248 2HB TYR 37 2HB TYR 37 -19.754 -2.139 -8.470
249 HD1 TYR 37 HD1 TYR 37 -19.117 -4.540 -8.187
250 HD2 TYR 37 HD2 TYR 37 -18.129 -1.581 -5.295
251 HE1 TYR 37 HE1 TYR 37 -18.726 -6.307 -6.524
252 HE2 TYR 37 HE2 TYR 37 -17.735 -3.339 -3.622
253 HH TYR 37 HH TYR 37 -18.639 -6.613 -4.150
254 HA PRO 38 HA PRO 38 -18.028 -0.377 -12.890
255 1HB PRO 38 1HB PRO 38 -20.011 -2.575 -13.280
256 2HB PRO 38 2HB PRO 38 -18.739 -2.002 -14.367
257 1HG PRO 38 1HG PRO 38 -18.427 -4.267 -13.013
258 2HG PRO 38 2HG PRO 38 -17.069 -3.147 -13.226
259 1HD PRO 38 1HD PRO 38 -18.761 -3.639 -10.816
260 2HD PRO 38 2HD PRO 38 -17.027 -3.269 -10.923
261 H THR 39 H THR 39 -20.376 -0.203 -14.252
262 HA THR 39 HA THR 39 -22.728 0.146 -12.841
263 HB THR 39 HB THR 39 -22.182 2.903 -13.069
264 HG1 THR 39 HG1 THR 39 -20.300 1.883 -11.290
265 1HG2 THR 39 1HG2 THR 39 -22.591 1.043 -10.768
266 2HG2 THR 39 2HG2 THR 39 -22.222 2.747 -10.504
267 3HG2 THR 39 3HG2 THR 39 -23.665 2.287 -11.405
268 HA PRO 40 HA PRO 40 -24.135 1.389 -16.829
269 1HB PRO 40 1HB PRO 40 -26.280 2.933 -16.331
270 2HB PRO 40 2HB PRO 40 -26.242 1.216 -15.921
271 1HG PRO 40 1HG PRO 40 -26.001 3.588 -14.155
272 2HG PRO 40 2HG PRO 40 -26.679 1.992 -13.810
273 1HD PRO 40 1HD PRO 40 -24.118 2.921 -13.095
274 2HD PRO 40 2HD PRO 40 -24.699 1.249 -13.004
275 H LEU 41 H LEU 41 -24.761 4.424 -15.066
276 HA LEU 41 HA LEU 41 -23.795 5.952 -17.321
277 1HB LEU 41 1HB LEU 41 -24.543 7.211 -14.724
278 2HB LEU 41 2HB LEU 41 -24.803 7.789 -16.358
279 HG LEU 41 HG LEU 41 -26.324 5.537 -15.044
280 1HD1 LEU 41 1HD1 LEU 41 -26.828 8.451 -15.339
281 2HD1 LEU 41 2HD1 LEU 41 -28.193 7.342 -15.463
282 3HD1 LEU 41 3HD1 LEU 41 -27.207 7.369 -14.000
283 1HD2 LEU 41 1HD2 LEU 41 -25.959 5.488 -17.575
284 2HD2 LEU 41 2HD2 LEU 41 -27.618 5.386 -16.986
285 3HD2 LEU 41 3HD2 LEU 41 -27.001 6.910 -17.624
286 H ARG 42 H ARG 42 -22.352 4.555 -14.665
287 HA ARG 42 HA ARG 42 -20.508 6.604 -13.941
288 1HB ARG 42 1HB ARG 42 -21.197 4.494 -12.614
289 2HB ARG 42 2HB ARG 42 -19.996 3.662 -13.594
290 1HG ARG 42 1HG ARG 42 -18.446 4.291 -12.150
291 2HG ARG 42 2HG ARG 42 -18.736 5.968 -12.617
292 1HD ARG 42 1HD ARG 42 -20.634 4.769 -10.688
293 2HD ARG 42 2HD ARG 42 -19.001 5.079 -10.104
294 HE ARG 42 HE ARG 42 -19.347 7.376 -10.394
295 1HH1 ARG 42 1HH1 ARG 42 -22.133 5.513 -11.352
296 2HH1 ARG 42 2HH1 ARG 42 -23.202 6.876 -11.351
297 1HH2 ARG 42 1HH2 ARG 42 -20.749 9.172 -10.389
298 2HH2 ARG 42 2HH2 ARG 42 -22.417 8.953 -10.806
299 H SER 43 H SER 43 -18.634 7.184 -14.857
300 HA SER 43 HA SER 43 -17.484 5.418 -16.914
301 1HB SER 43 1HB SER 43 -16.950 8.226 -17.424
302 2HB SER 43 2HB SER 43 -17.628 7.002 -18.497
303 HG SER 43 HG SER 43 -19.236 8.452 -18.226
304 H LYS 44 H LYS 44 -15.199 6.509 -17.542
305 HA LYS 44 HA LYS 44 -13.520 6.037 -15.350
306 1HB LYS 44 1HB LYS 44 -13.226 6.660 -18.135
307 2HB LYS 44 2HB LYS 44 -12.105 7.641 -17.202
308 1HG LYS 44 1HG LYS 44 -10.960 5.800 -16.395
309 2HG LYS 44 2HG LYS 44 -12.306 4.702 -16.702
310 1HD LYS 44 1HD LYS 44 -11.857 4.589 -18.982
311 2HD LYS 44 2HD LYS 44 -10.928 6.090 -18.970
312 1HE LYS 44 1HE LYS 44 -9.064 5.064 -17.997
313 2HE LYS 44 2HE LYS 44 -9.999 3.672 -17.457
314 1HZ LYS 44 1HZ LYS 44 -10.345 3.337 -19.998
315 2HZ LYS 44 2HZ LYS 44 -8.946 4.278 -20.131
316 3HZ LYS 44 3HZ LYS 44 -8.908 2.825 -19.264
317 H LYS 45 H LYS 45 -13.314 9.101 -17.098
318 HA LYS 45 HA LYS 45 -13.404 10.507 -14.511
319 1HB LYS 45 1HB LYS 45 -11.222 10.306 -16.216
320 2HB LYS 45 2HB LYS 45 -11.896 11.887 -16.584
321 1HG LYS 45 1HG LYS 45 -11.369 12.742 -14.554
322 2HG LYS 45 2HG LYS 45 -11.570 11.197 -13.726
323 1HD LYS 45 1HD LYS 45 -9.458 10.438 -14.875
324 2HD LYS 45 2HD LYS 45 -9.237 12.109 -15.400
325 1HE LYS 45 1HE LYS 45 -8.278 11.059 -13.074
326 2HE LYS 45 2HE LYS 45 -8.551 12.774 -13.375
327 1HZ LYS 45 1HZ LYS 45 -10.549 10.941 -12.163
328 2HZ LYS 45 2HZ LYS 45 -9.551 11.988 -11.288
329 3HZ LYS 45 3HZ LYS 45 -10.702 12.615 -12.357
330 H THR 46 H THR 46 -14.868 10.114 -17.472
331 HA THR 46 HA THR 46 -15.556 12.696 -18.268
332 HB THR 46 HB THR 46 -17.802 11.105 -18.792
333 HG1 THR 46 HG1 THR 46 -16.561 9.238 -19.689
334 1HG2 THR 46 1HG2 THR 46 -15.696 12.345 -20.253
335 2HG2 THR 46 2HG2 THR 46 -15.976 10.726 -20.896
336 3HG2 THR 46 3HG2 THR 46 -17.308 11.880 -20.798
337 H MET 47 H MET 47 -17.003 14.168 -17.599
338 HA MET 47 HA MET 47 -18.580 15.218 -16.341
339 1HB MET 47 1HB MET 47 -19.562 12.541 -16.612
340 2HB MET 47 2HB MET 47 -19.914 13.114 -14.987
341 1HG MET 47 1HG MET 47 -20.547 15.206 -16.780
342 2HG MET 47 2HG MET 47 -21.243 13.721 -17.426
343 1HE MET 47 1HE MET 47 -20.944 16.225 -14.711
344 2HE MET 47 2HE MET 47 -22.375 16.035 -13.697
345 3HE MET 47 3HE MET 47 -20.970 15.000 -13.443
346 H LEU 48 H LEU 48 -16.013 13.742 -15.250
347 HA LEU 48 HA LEU 48 -14.919 13.492 -13.261
348 1HB LEU 48 1HB LEU 48 -15.967 15.634 -11.766
349 2HB LEU 48 2HB LEU 48 -14.484 15.593 -12.701
350 HG LEU 48 HG LEU 48 -16.347 16.094 -14.645
351 1HD1 LEU 48 1HD1 LEU 48 -17.795 16.462 -12.369
352 2HD1 LEU 48 2HD1 LEU 48 -17.192 18.091 -12.682
353 3HD1 LEU 48 3HD1 LEU 48 -18.124 17.242 -13.917
354 1HD2 LEU 48 1HD2 LEU 48 -14.101 17.264 -13.684
355 2HD2 LEU 48 2HD2 LEU 48 -15.113 17.946 -14.957
356 3HD2 LEU 48 3HD2 LEU 48 -15.310 18.485 -13.288
357 H VAL 49 H VAL 49 -15.396 13.935 -10.677
358 HA VAL 49 HA VAL 49 -17.967 12.733 -9.971
359 HB VAL 49 HB VAL 49 -16.658 11.192 -8.364
360 1HG1 VAL 49 1HG1 VAL 49 -16.841 10.740 -11.333
361 2HG1 VAL 49 2HG1 VAL 49 -16.377 9.474 -10.197
362 3HG1 VAL 49 3HG1 VAL 49 -17.967 10.225 -10.077
363 1HG2 VAL 49 1HG2 VAL 49 -14.503 12.400 -9.835
364 2HG2 VAL 49 2HG2 VAL 49 -14.441 11.331 -8.435
365 3HG2 VAL 49 3HG2 VAL 49 -14.499 10.651 -10.061
366 H GLN 50 H GLN 50 -18.306 12.729 -7.578
367 HA GLN 50 HA GLN 50 -18.233 15.136 -6.406
368 1HB GLN 50 1HB GLN 50 -18.594 12.464 -5.487
369 2HB GLN 50 2HB GLN 50 -17.586 13.300 -4.315
370 1HG GLN 50 1HG GLN 50 -20.143 14.493 -5.322
371 2HG GLN 50 2HG GLN 50 -20.114 13.350 -3.981
372 2HE2 GLN 50 2HE2 GLN 50 -21.139 15.536 -3.205
373 1HE2 GLN 50 1HE2 GLN 50 -20.045 16.579 -2.368
374 H LYS 51 H LYS 51 -16.922 16.147 -4.745
375 HA LYS 51 HA LYS 51 -14.055 15.611 -5.143
376 1HB LYS 51 1HB LYS 51 -15.233 17.892 -5.762
377 2HB LYS 51 2HB LYS 51 -15.057 18.201 -4.040
378 1HG LYS 51 1HG LYS 51 -12.565 17.267 -4.847
379 2HG LYS 51 2HG LYS 51 -13.094 18.338 -6.146
380 1HD LYS 51 1HD LYS 51 -13.761 19.647 -3.762
381 2HD LYS 51 2HD LYS 51 -12.141 18.994 -3.510
382 1HE LYS 51 1HE LYS 51 -13.062 20.790 -5.748
383 2HE LYS 51 2HE LYS 51 -11.950 21.201 -4.441
384 1HZ LYS 51 1HZ LYS 51 -11.272 18.943 -6.183
385 2HZ LYS 51 2HZ LYS 51 -11.079 20.509 -6.797
386 3HZ LYS 51 3HZ LYS 51 -10.253 20.042 -5.396
387 H ASN 52 H ASN 52 -12.654 16.213 -3.263
388 HA ASN 52 HA ASN 52 -11.997 15.900 -1.108
389 1HB ASN 52 1HB ASN 52 -13.790 17.723 -0.823
390 2HB ASN 52 2HB ASN 52 -14.834 16.429 -0.243
391 2HD2 ASN 52 2HD2 ASN 52 -12.508 18.688 0.585
392 1HD2 ASN 52 1HD2 ASN 52 -12.141 18.111 2.171
393 H VAL 53 H VAL 53 -11.687 13.655 -1.580
394 HA VAL 53 HA VAL 53 -12.136 11.394 -1.468
395 HB VAL 53 HB VAL 53 -12.303 10.618 0.815
396 1HG1 VAL 53 1HG1 VAL 53 -10.593 13.015 0.298
397 2HG1 VAL 53 2HG1 VAL 53 -10.542 12.200 1.860
398 3HG1 VAL 53 3HG1 VAL 53 -10.137 11.313 0.390
399 1HG2 VAL 53 1HG2 VAL 53 -14.051 12.633 1.237
400 2HG2 VAL 53 2HG2 VAL 53 -13.249 11.740 2.528
401 3HG2 VAL 53 3HG2 VAL 53 -12.608 13.296 2.003
402 H THR 54 H THR 54 -13.876 9.970 0.226
403 HA THR 54 HA THR 54 -16.565 10.770 0.063
404 HB THR 54 HB THR 54 -16.363 8.596 -1.877
405 HG1 THR 54 HG1 THR 54 -14.697 9.521 -2.836
406 1HG2 THR 54 1HG2 THR 54 -17.912 11.070 -1.507
407 2HG2 THR 54 2HG2 THR 54 -17.658 10.544 -3.171
408 3HG2 THR 54 3HG2 THR 54 -18.431 9.462 -2.013
409 H SER 55 H SER 55 -16.456 9.882 2.160
410 HA SER 55 HA SER 55 -16.316 8.221 3.765
411 1HB SER 55 1HB SER 55 -18.610 8.096 2.217
412 2HB SER 55 2HB SER 55 -18.064 6.420 2.268
413 HG SER 55 HG SER 55 -18.551 8.119 4.488
414 H GLU 56 H GLU 56 -14.341 7.274 3.866
415 HA GLU 56 HA GLU 56 -13.882 4.942 2.123
416 1HB GLU 56 1HB GLU 56 -11.444 5.350 2.552
417 2HB GLU 56 2HB GLU 56 -12.244 6.611 1.624
418 1HG GLU 56 1HG GLU 56 -12.170 8.127 3.367
419 2HG GLU 56 2HG GLU 56 -11.976 6.869 4.587
420 H SER 57 H SER 57 -12.753 3.139 3.053
421 HA SER 57 HA SER 57 -12.797 3.024 5.986
422 1HB SER 57 1HB SER 57 -14.465 1.530 6.007
423 2HB SER 57 2HB SER 57 -14.597 1.655 4.253
424 HG SER 57 HG SER 57 -12.909 0.059 4.144
425 H THR 58 H THR 58 -11.700 1.561 2.958
426 HA THR 58 HA THR 58 -9.518 0.208 4.360
427 HB THR 58 HB THR 58 -9.136 -0.438 1.761
428 HG1 THR 58 HG1 THR 58 -10.790 0.324 0.709
429 1HG2 THR 58 1HG2 THR 58 -11.065 -1.711 3.678
430 2HG2 THR 58 2HG2 THR 58 -10.596 -2.428 2.137
431 3HG2 THR 58 3HG2 THR 58 -9.381 -2.146 3.384
432 H CYS 59 H CYS 59 -7.318 0.305 3.254
433 HA CYS 59 HA CYS 59 -6.479 2.228 1.510
434 1HB CYS 59 1HB CYS 59 -5.572 3.966 3.192
435 2HB CYS 59 2HB CYS 59 -7.265 4.048 2.717
436 H CYS 60 H CYS 60 -4.804 1.005 0.979
437 HA CYS 60 HA CYS 60 -2.957 -0.054 2.997
438 1HB CYS 60 1HB CYS 60 -3.640 -0.624 0.195
439 2HB CYS 60 2HB CYS 60 -1.908 -0.603 0.476
440 H VAL 61 H VAL 61 -2.967 2.628 3.077
441 HA VAL 61 HA VAL 61 -0.951 3.787 1.386
442 HB VAL 61 HB VAL 61 -1.080 5.728 2.925
443 1HG1 VAL 61 1HG1 VAL 61 -3.076 4.752 1.206
444 2HG1 VAL 61 2HG1 VAL 61 -3.911 5.416 2.609
445 3HG1 VAL 61 3HG1 VAL 61 -2.791 6.423 1.692
446 1HG2 VAL 61 1HG2 VAL 61 -1.808 3.959 4.829
447 2HG2 VAL 61 2HG2 VAL 61 -2.101 5.696 4.937
448 3HG2 VAL 61 3HG2 VAL 61 -3.383 4.617 4.387
449 H ALA 62 H ALA 62 0.441 1.822 1.974
450 HA ALA 62 HA ALA 62 1.944 0.749 3.414
451 1HB ALA 62 1HB ALA 62 2.986 3.404 2.548
452 2HB ALA 62 2HB ALA 62 3.978 2.338 3.545
453 3HB ALA 62 3HB ALA 62 3.399 1.790 1.973
454 H LYS 63 H LYS 63 1.555 0.300 5.471
455 HA LYS 63 HA LYS 63 0.694 2.007 7.461
456 1HB LYS 63 1HB LYS 63 0.833 -0.532 7.484
457 2HB LYS 63 2HB LYS 63 2.513 -0.341 7.963
458 1HG LYS 63 1HG LYS 63 1.208 1.306 9.694
459 2HG LYS 63 2HG LYS 63 0.072 -0.029 9.503
460 1HD LYS 63 1HD LYS 63 2.885 -0.809 9.882
461 2HD LYS 63 2HD LYS 63 2.132 -0.015 11.266
462 1HE LYS 63 1HE LYS 63 0.281 -1.892 10.235
463 2HE LYS 63 2HE LYS 63 1.840 -2.702 10.371
464 1HZ LYS 63 1HZ LYS 63 1.950 -1.924 12.690
465 2HZ LYS 63 2HZ LYS 63 0.396 -1.272 12.535
466 3HZ LYS 63 3HZ LYS 63 0.629 -2.942 12.410
467 H SER 64 H SER 64 3.862 1.208 6.338
468 HA SER 64 HA SER 64 4.906 3.525 7.719
469 1HB SER 64 1HB SER 64 7.010 2.020 8.217
470 2HB SER 64 2HB SER 64 5.646 2.039 9.331
471 HG SER 64 HG SER 64 5.128 0.055 8.761
472 H TYR 65 H TYR 65 6.592 4.518 6.560
473 HA TYR 65 HA TYR 65 7.350 3.161 4.054
474 1HB TYR 65 1HB TYR 65 7.450 5.665 3.218
475 2HB TYR 65 2HB TYR 65 5.957 4.733 3.159
476 HD1 TYR 65 HD1 TYR 65 4.158 5.175 4.787
477 HD2 TYR 65 HD2 TYR 65 7.700 7.527 4.694
478 HE1 TYR 65 HE1 TYR 65 3.045 6.897 6.140
479 HE2 TYR 65 HE2 TYR 65 6.600 9.255 6.051
480 HH TYR 65 HH TYR 65 3.938 8.788 7.812
481 H ASN 66 H ASN 66 9.181 4.126 2.965
482 HA ASN 66 HA ASN 66 11.053 5.482 4.774
483 1HB ASN 66 1HB ASN 66 11.342 2.778 3.931
484 2HB ASN 66 2HB ASN 66 12.573 3.739 3.119
485 2HD2 ASN 66 2HD2 ASN 66 14.087 4.881 4.366
486 1HD2 ASN 66 1HD2 ASN 66 14.424 4.434 6.000
487 H ARG 67 H ARG 67 9.302 6.152 2.749
488 HA ARG 67 HA ARG 67 9.507 6.724 0.335
489 1HB ARG 67 1HB ARG 67 9.702 9.302 0.873
490 2HB ARG 67 2HB ARG 67 8.301 8.364 1.375
491 1HG ARG 67 1HG ARG 67 9.459 7.997 3.559
492 2HG ARG 67 2HG ARG 67 10.644 9.196 3.040
493 1HD ARG 67 1HD ARG 67 7.931 10.136 2.666
494 2HD ARG 67 2HD ARG 67 8.234 9.682 4.342
495 HE ARG 67 HE ARG 67 9.374 11.911 2.906
496 1HH1 ARG 67 1HH1 ARG 67 9.707 9.757 5.620
497 2HH1 ARG 67 2HH1 ARG 67 10.629 10.878 6.564
498 1HH2 ARG 67 1HH2 ARG 67 10.584 13.401 4.142
499 2HH2 ARG 67 2HH2 ARG 67 11.126 12.952 5.725
500 H VAL 68 H VAL 68 10.897 6.787 -1.191
501 HA VAL 68 HA VAL 68 13.531 8.018 -0.773
502 HB VAL 68 HB VAL 68 14.652 6.310 -1.977
503 1HG1 VAL 68 1HG1 VAL 68 13.259 5.692 0.369
504 2HG1 VAL 68 2HG1 VAL 68 13.075 4.287 -0.677
505 3HG1 VAL 68 3HG1 VAL 68 14.684 4.879 -0.276
506 1HG2 VAL 68 1HG2 VAL 68 12.313 6.038 -3.395
507 2HG2 VAL 68 2HG2 VAL 68 13.745 5.027 -3.562
508 3HG2 VAL 68 3HG2 VAL 68 12.418 4.517 -2.520
509 H THR 69 H THR 69 11.407 9.365 -1.774
510 HA THR 69 HA THR 69 10.481 9.592 -4.138
511 HB THR 69 HB THR 69 12.243 11.743 -2.986
512 HG1 THR 69 HG1 THR 69 10.061 12.608 -2.578
513 1HG2 THR 69 1HG2 THR 69 10.403 11.801 -5.352
514 2HG2 THR 69 2HG2 THR 69 10.822 13.251 -4.438
515 3HG2 THR 69 3HG2 THR 69 12.084 12.324 -5.251
516 H VAL 70 H VAL 70 11.007 8.995 -6.090
517 HA VAL 70 HA VAL 70 13.820 9.199 -6.936
518 HB VAL 70 HB VAL 70 12.260 7.630 -8.741
519 1HG1 VAL 70 1HG1 VAL 70 14.706 7.279 -7.064
520 2HG1 VAL 70 2HG1 VAL 70 14.009 5.888 -7.895
521 3HG1 VAL 70 3HG1 VAL 70 14.535 7.296 -8.819
522 1HG2 VAL 70 1HG2 VAL 70 12.162 6.770 -5.847
523 2HG2 VAL 70 2HG2 VAL 70 10.795 7.082 -6.917
524 3HG2 VAL 70 3HG2 VAL 70 11.845 5.695 -7.208
525 H MET 71 H MET 71 13.450 8.757 -9.582
526 HA MET 71 HA MET 71 13.427 11.108 -10.760
527 1HB MET 71 1HB MET 71 12.495 10.035 -12.832
528 2HB MET 71 2HB MET 71 13.853 9.200 -12.090
529 1HG MET 71 1HG MET 71 12.267 7.651 -11.012
530 2HG MET 71 2HG MET 71 10.950 8.457 -11.863
531 1HE MET 71 1HE MET 71 13.746 8.808 -14.124
532 2HE MET 71 2HE MET 71 13.155 7.787 -15.436
533 3HE MET 71 3HE MET 71 12.110 9.030 -14.746
534 H GLY 72 H GLY 72 12.029 12.595 -11.691
535 1HA GLY 72 1HA GLY 72 9.270 12.386 -11.935
536 2HA GLY 72 2HA GLY 72 10.142 13.902 -11.749
537 H GLY 73 H GLY 73 11.083 12.439 -9.104
538 1HA GLY 73 1HA GLY 73 9.138 13.794 -7.456
539 2HA GLY 73 2HA GLY 73 10.573 12.946 -6.899
540 H PHE 74 H PHE 74 9.934 10.468 -8.275
541 HA PHE 74 HA PHE 74 7.383 9.529 -7.525
542 1HB PHE 74 1HB PHE 74 9.950 8.125 -8.213
543 2HB PHE 74 2HB PHE 74 8.505 7.234 -7.749
544 HD1 PHE 74 HD1 PHE 74 6.530 9.137 -9.121
545 HD2 PHE 74 HD2 PHE 74 10.134 7.283 -10.415
546 HE1 PHE 74 HE1 PHE 74 5.732 9.221 -11.448
547 HE2 PHE 74 HE2 PHE 74 9.346 7.363 -12.742
548 HZ PHE 74 HZ PHE 74 7.142 8.333 -13.262
549 H LYS 75 H LYS 75 6.682 9.459 -5.525
550 HA LYS 75 HA LYS 75 8.534 8.908 -3.342
551 1HB LYS 75 1HB LYS 75 5.625 9.716 -3.244
552 2HB LYS 75 2HB LYS 75 6.720 9.618 -1.872
553 1HG LYS 75 1HG LYS 75 7.756 11.315 -3.982
554 2HG LYS 75 2HG LYS 75 6.187 11.858 -3.386
555 1HD LYS 75 1HD LYS 75 8.485 11.170 -1.566
556 2HD LYS 75 2HD LYS 75 8.213 12.795 -2.197
557 1HE LYS 75 1HE LYS 75 5.968 12.786 -1.189
558 2HE LYS 75 2HE LYS 75 6.291 11.187 -0.518
559 1HZ LYS 75 1HZ LYS 75 8.312 13.130 0.123
560 2HZ LYS 75 2HZ LYS 75 6.785 13.535 0.728
561 3HZ LYS 75 3HZ LYS 75 7.488 12.051 1.134
562 H VAL 76 H VAL 76 8.913 6.760 -3.280
563 HA VAL 76 HA VAL 76 6.748 4.852 -3.427
564 HB VAL 76 HB VAL 76 8.557 3.101 -3.110
565 1HG1 VAL 76 1HG1 VAL 76 8.174 4.837 -5.329
566 2HG1 VAL 76 2HG1 VAL 76 9.916 4.655 -5.135
567 3HG1 VAL 76 3HG1 VAL 76 8.897 3.233 -5.325
568 1HG2 VAL 76 1HG2 VAL 76 9.860 5.443 -2.084
569 2HG2 VAL 76 2HG2 VAL 76 10.411 3.771 -2.064
570 3HG2 VAL 76 3HG2 VAL 76 10.814 4.816 -3.426
571 H GLU 77 H GLU 77 7.487 6.847 -1.251
572 HA GLU 77 HA GLU 77 7.877 6.784 1.085
573 1HB GLU 77 1HB GLU 77 5.250 6.132 0.223
574 2HB GLU 77 2HB GLU 77 5.607 5.075 1.577
575 1HG GLU 77 1HG GLU 77 4.752 6.822 2.719
576 2HG GLU 77 2HG GLU 77 6.433 7.351 2.649
577 H ASN 78 H ASN 78 9.404 5.021 -0.236
578 HA ASN 78 HA ASN 78 9.783 2.641 -0.407
579 1HB ASN 78 1HB ASN 78 11.736 4.088 0.294
580 2HB ASN 78 2HB ASN 78 11.388 3.593 1.951
581 H HIS 79 H HIS 79 7.625 2.217 0.292
582 HA HIS 79 HA HIS 79 6.575 1.869 2.660
583 1HB HIS 79 1HB HIS 79 6.382 -0.061 0.365
584 2HB HIS 79 2HB HIS 79 5.296 -0.067 1.761
585 HD1 HIS 79 HD1 HIS 79 3.621 0.531 -0.472
586 HD2 HIS 79 HD2 HIS 79 6.080 3.435 1.118
587 HE1 HIS 79 HE1 HIS 79 2.698 2.730 -1.294
588 H THR 80 H THR 80 6.937 1.029 4.415
589 HA THR 80 HA THR 80 8.756 -1.278 4.590
590 HB THR 80 HB THR 80 9.514 -0.501 6.654
591 HG1 THR 80 HG1 THR 80 8.217 0.357 8.044
592 1HG2 THR 80 1HG2 THR 80 8.951 1.771 4.811
593 2HG2 THR 80 2HG2 THR 80 9.641 2.089 6.401
594 3HG2 THR 80 3HG2 THR 80 10.491 1.042 5.265
595 H ALA 81 H ALA 81 5.541 -0.378 4.761
596 HA ALA 81 HA ALA 81 4.646 -2.937 5.512
597 1HB ALA 81 1HB ALA 81 5.346 -2.078 7.754
598 2HB ALA 81 2HB ALA 81 3.640 -2.509 7.644
599 3HB ALA 81 3HB ALA 81 4.127 -0.816 7.588
600 H CYS 82 H CYS 82 2.538 -3.192 4.787
601 HA CYS 82 HA CYS 82 1.068 -0.719 4.127
602 1HB CYS 82 1HB CYS 82 2.136 -2.143 2.173
603 2HB CYS 82 2HB CYS 82 0.684 -3.114 2.410
604 H HIS 83 H HIS 83 -0.988 -0.658 4.785
605 HA HIS 83 HA HIS 83 -2.372 -3.151 5.346
606 1HB HIS 83 1HB HIS 83 -2.237 -0.956 7.407
607 2HB HIS 83 2HB HIS 83 -3.031 -2.522 7.575
608 HD1 HIS 83 HD1 HIS 83 -1.640 -3.727 9.276
609 HD2 HIS 83 HD2 HIS 83 0.626 -1.835 6.359
610 HE1 HIS 83 HE1 HIS 83 0.731 -4.456 9.705
611 HE2 HIS 83 HE2 HIS 83 2.064 -3.425 7.828
612 H CYS 84 H CYS 84 -4.253 -3.076 4.320
613 HA CYS 84 HA CYS 84 -5.454 -0.493 3.723
614 1HB CYS 84 1HB CYS 84 -5.300 -2.958 2.352
615 2HB CYS 84 2HB CYS 84 -6.999 -2.712 2.742
616 H SER 85 H SER 85 -6.918 0.346 5.035
617 HA SER 85 HA SER 85 -9.009 0.370 6.108
618 1HB SER 85 1HB SER 85 -9.348 -2.045 5.320
619 2HB SER 85 2HB SER 85 -8.619 -2.527 6.851
620 HG SER 85 HG SER 85 -10.291 -1.550 7.940
621 H THR 86 H THR 86 -6.859 1.427 7.123
622 HA THR 86 HA THR 86 -7.135 0.988 9.960
623 HB THR 86 HB THR 86 -5.169 -0.010 10.420
624 HG1 THR 86 HG1 THR 86 -3.585 1.314 10.120
625 1HG2 THR 86 1HG2 THR 86 -5.445 -0.540 7.506
626 2HG2 THR 86 2HG2 THR 86 -3.979 -1.048 8.343
627 3HG2 THR 86 3HG2 THR 86 -5.550 -1.649 8.873
628 H CYS 87 H CYS 87 -7.733 3.117 8.160
629 HA CYS 87 HA CYS 87 -5.692 5.135 8.707
630 1HB CYS 87 1HB CYS 87 -8.152 5.155 6.956
631 2HB CYS 87 2HB CYS 87 -7.150 6.577 7.228
632 H TYR 88 H TYR 88 -7.162 7.431 8.826
633 HA TYR 88 HA TYR 88 -8.281 7.237 11.505
634 1HB TYR 88 1HB TYR 88 -6.601 9.047 10.422
635 2HB TYR 88 2HB TYR 88 -8.135 9.864 10.141
636 HD1 TYR 88 HD1 TYR 88 -6.594 7.919 12.949
637 HD2 TYR 88 HD2 TYR 88 -8.647 11.439 11.729
638 HE1 TYR 88 HE1 TYR 88 -6.588 8.721 15.275
639 HE2 TYR 88 HE2 TYR 88 -8.645 12.253 14.049
640 HH TYR 88 HH TYR 88 -7.799 11.932 16.114
641 H TYR 89 H TYR 89 -9.839 9.686 11.214
642 HA TYR 89 HA TYR 89 -11.953 10.384 10.752
643 1HB TYR 89 1HB TYR 89 -11.436 10.273 8.416
644 2HB TYR 89 2HB TYR 89 -11.610 8.522 8.401
645 HD1 TYR 89 HD1 TYR 89 -13.488 11.694 8.789
646 HD2 TYR 89 HD2 TYR 89 -13.711 7.515 8.024
647 HE1 TYR 89 HE1 TYR 89 -15.855 11.940 8.169
648 HE2 TYR 89 HE2 TYR 89 -16.078 7.749 7.401
649 HH TYR 89 HH TYR 89 -17.589 10.879 7.065
650 H HIS 90 H HIS 90 -13.829 9.892 11.701
651 HA HIS 90 HA HIS 90 -15.635 8.639 12.394
652 1HB HIS 90 1HB HIS 90 -14.576 6.964 10.482
653 2HB HIS 90 2HB HIS 90 -14.507 5.974 11.935
654 HD1 HIS 90 HD1 HIS 90 -17.208 8.392 10.781
655 HD2 HIS 90 HD2 HIS 90 -16.692 4.386 11.753
656 HE1 HIS 90 HE1 HIS 90 -19.500 7.368 10.652
657 HE2 HIS 90 HE2 HIS 90 -19.151 4.926 11.160
658 H LYS 91 H LYS 91 -15.803 8.645 14.529
659 HA LYS 91 HA LYS 91 -14.594 6.713 16.186
660 1HB LYS 91 1HB LYS 91 -12.734 8.517 15.598
661 2HB LYS 91 2HB LYS 91 -13.525 9.402 16.895
662 1HG LYS 91 1HG LYS 91 -12.700 6.564 17.316
663 2HG LYS 91 2HG LYS 91 -11.510 7.862 17.424
664 1HD LYS 91 1HD LYS 91 -13.955 8.456 18.883
665 2HD LYS 91 2HD LYS 91 -13.163 6.987 19.455
666 1HE LYS 91 1HE LYS 91 -12.152 9.799 19.419
667 2HE LYS 91 2HE LYS 91 -12.167 8.635 20.742
668 1HZ LYS 91 1HZ LYS 91 -10.562 7.366 19.107
669 2HZ LYS 91 2HZ LYS 91 -10.255 8.934 18.552
670 3HZ LYS 91 3HZ LYS 91 -9.988 8.543 20.176
671 H SER 92 H SER 92 -15.568 6.617 18.162
672 HA SER 92 HA SER 92 -17.487 6.873 19.438
673 1HB SER 92 1HB SER 92 -16.178 9.568 19.856
674 2HB SER 92 2HB SER 92 -17.207 8.699 20.994
675 HG SER 92 HG SER 92 -15.415 6.987 20.594
No H/Q in entry = 675
Start of MODEL 25
1 H1 ALA 1 H1 ALA 1 5.914 -7.235 -5.191
2 H2 ALA 1 H2 ALA 1 6.351 -5.872 -6.139
3 H3 ALA 1 H3 ALA 1 5.412 -7.131 -6.828
4 HA ALA 1 HA ALA 1 7.401 -7.647 -7.646
5 1HB ALA 1 2HB ALA 1 8.373 -6.172 -5.294
6 2HB ALA 1 1HB ALA 1 8.947 -6.163 -6.961
7 3HB ALA 1 3HB ALA 1 9.420 -7.467 -5.872
8 HA PRO 2 HA PRO 2 8.780 -10.844 -4.083
9 1HB PRO 2 1HB PRO 2 6.402 -10.126 -2.407
10 2HB PRO 2 2HB PRO 2 7.967 -10.778 -1.909
11 1HG PRO 2 1HG PRO 2 7.397 -8.171 -1.661
12 2HG PRO 2 2HG PRO 2 9.026 -8.735 -2.076
13 1HD PRO 2 1HD PRO 2 7.036 -7.354 -3.756
14 2HD PRO 2 2HD PRO 2 8.793 -7.477 -3.959
15 H ASP 3 H ASP 3 5.465 -9.991 -4.953
16 HA ASP 3 HA ASP 3 4.914 -12.851 -5.384
17 1HB ASP 3 1HB ASP 3 3.257 -12.338 -3.906
18 2HB ASP 3 2HB ASP 3 3.267 -10.629 -4.322
19 H VAL 4 H VAL 4 5.723 -12.948 -7.485
20 HA VAL 4 HA VAL 4 5.325 -11.195 -9.569
21 HB VAL 4 HB VAL 4 5.357 -14.212 -9.747
22 1HG1 VAL 4 1HG1 VAL 4 4.962 -12.213 -11.748
23 2HG1 VAL 4 2HG1 VAL 4 6.511 -13.010 -12.021
24 3HG1 VAL 4 3HG1 VAL 4 5.032 -13.965 -11.927
25 1HG2 VAL 4 1HG2 VAL 4 7.561 -12.161 -9.780
26 2HG2 VAL 4 2HG2 VAL 4 7.337 -13.494 -8.647
27 3HG2 VAL 4 3HG2 VAL 4 7.773 -13.827 -10.323
28 H GLN 5 H GLN 5 3.510 -10.375 -10.381
29 HA GLN 5 HA GLN 5 1.376 -10.185 -11.156
30 1HB GLN 5 1HB GLN 5 2.205 -12.809 -11.849
31 2HB GLN 5 2HB GLN 5 0.546 -12.927 -11.277
32 1HG GLN 5 1HG GLN 5 1.151 -10.755 -13.186
33 2HG GLN 5 2HG GLN 5 1.182 -12.404 -13.808
34 2HE2 GLN 5 2HE2 GLN 5 -0.786 -9.894 -12.426
35 1HE2 GLN 5 1HE2 GLN 5 -2.314 -10.609 -12.795
36 H ASP 6 H ASP 6 -0.949 -10.724 -10.570
37 HA ASP 6 HA ASP 6 -2.609 -11.037 -9.025
38 1HB ASP 6 1HB ASP 6 -0.835 -13.076 -8.430
39 2HB ASP 6 2HB ASP 6 -1.009 -12.237 -6.892
40 H CYS 7 H CYS 7 -3.417 -9.616 -7.554
41 HA CYS 7 HA CYS 7 -1.460 -7.877 -6.223
42 1HB CYS 7 1HB CYS 7 -2.827 -6.080 -6.566
43 2HB CYS 7 2HB CYS 7 -3.312 -7.068 -7.937
44 HA PRO 8 HA PRO 8 -3.184 -9.797 -2.530
45 1HB PRO 8 1HB PRO 8 -0.753 -9.351 -1.168
46 2HB PRO 8 2HB PRO 8 -1.270 -10.849 -1.940
47 1HG PRO 8 1HG PRO 8 0.867 -9.211 -2.741
48 2HG PRO 8 2HG PRO 8 0.156 -10.540 -3.668
49 1HD PRO 8 1HD PRO 8 -0.273 -7.609 -3.922
50 2HD PRO 8 2HD PRO 8 -0.327 -8.873 -5.167
51 H GLU 9 H GLU 9 -3.558 -9.018 -0.352
52 HA GLU 9 HA GLU 9 -4.638 -6.668 0.063
53 1HB GLU 9 1HB GLU 9 -3.108 -8.450 1.820
54 2HB GLU 9 2HB GLU 9 -3.215 -6.795 2.406
55 1HG GLU 9 1HG GLU 9 -5.289 -7.125 3.100
56 2HG GLU 9 2HG GLU 9 -5.788 -7.653 1.494
57 H CYS 10 H CYS 10 -4.151 -4.556 0.389
58 HA CYS 10 HA CYS 10 -2.225 -3.237 -0.881
59 1HB CYS 10 1HB CYS 10 -3.955 -2.043 0.320
60 2HB CYS 10 2HB CYS 10 -3.264 -2.519 1.867
61 H THR 11 H THR 11 -0.129 -3.477 -1.009
62 HA THR 11 HA THR 11 1.463 -3.703 1.443
63 HB THR 11 HB THR 11 1.429 -5.956 0.766
64 HG1 THR 11 HG1 THR 11 3.505 -6.268 0.476
65 1HG2 THR 11 1HG2 THR 11 1.132 -4.884 -1.917
66 2HG2 THR 11 2HG2 THR 11 2.273 -6.227 -1.822
67 3HG2 THR 11 3HG2 THR 11 0.620 -6.431 -1.242
68 H LEU 12 H LEU 12 3.795 -4.161 -0.510
69 HA LEU 12 HA LEU 12 4.003 -1.353 -1.356
70 1HB LEU 12 1HB LEU 12 5.962 -3.216 -0.110
71 2HB LEU 12 2HB LEU 12 6.558 -1.990 -1.212
72 HG LEU 12 HG LEU 12 6.011 -0.239 0.217
73 1HD1 LEU 12 1HD1 LEU 12 3.640 -0.997 0.477
74 2HD1 LEU 12 2HD1 LEU 12 4.184 -2.022 1.803
75 3HD1 LEU 12 3HD1 LEU 12 4.360 -0.273 1.914
76 1HD2 LEU 12 1HD2 LEU 12 6.768 -2.649 1.830
77 2HD2 LEU 12 2HD2 LEU 12 7.779 -1.310 1.292
78 3HD2 LEU 12 3HD2 LEU 12 6.591 -1.057 2.568
79 H GLN 13 H GLN 13 4.724 -0.889 -3.397
80 HA GLN 13 HA GLN 13 4.826 -3.178 -5.213
81 1HB GLN 13 1HB GLN 13 4.130 -0.316 -5.550
82 2HB GLN 13 2HB GLN 13 4.634 -1.273 -6.941
83 1HG GLN 13 1HG GLN 13 2.691 -2.645 -5.320
84 2HG GLN 13 2HG GLN 13 2.094 -1.094 -5.902
85 2HE2 GLN 13 2HE2 GLN 13 2.742 -4.317 -6.643
86 1HE2 GLN 13 1HE2 GLN 13 2.376 -4.268 -8.331
87 H GLU 14 H GLU 14 6.941 -2.987 -3.868
88 HA GLU 14 HA GLU 14 9.161 -1.927 -3.872
89 1HB GLU 14 1HB GLU 14 8.698 -4.528 -4.500
90 2HB GLU 14 2HB GLU 14 9.653 -3.998 -5.879
91 1HG GLU 14 1HG GLU 14 11.539 -3.778 -4.666
92 2HG GLU 14 2HG GLU 14 10.677 -3.198 -3.241
93 H ASN 15 H ASN 15 10.136 -0.373 -4.769
94 HA ASN 15 HA ASN 15 9.528 0.867 -7.128
95 1HB ASN 15 1HB ASN 15 11.263 1.266 -5.025
96 2HB ASN 15 2HB ASN 15 12.299 1.232 -6.445
97 2HD2 ASN 15 2HD2 ASN 15 12.391 3.483 -5.329
98 1HD2 ASN 15 1HD2 ASN 15 11.389 4.682 -6.058
99 HA PRO 16 HA PRO 16 11.550 -1.929 -9.978
100 1HB PRO 16 1HB PRO 16 10.471 -0.955 -12.232
101 2HB PRO 16 2HB PRO 16 9.521 -1.913 -11.091
102 1HG PRO 16 1HG PRO 16 9.557 1.038 -11.521
103 2HG PRO 16 2HG PRO 16 8.195 -0.026 -11.129
104 1HD PRO 16 1HD PRO 16 9.587 1.561 -9.308
105 2HD PRO 16 2HD PRO 16 8.552 0.181 -8.891
106 H PHE 17 H PHE 17 12.493 0.919 -9.094
107 HA PHE 17 HA PHE 17 14.351 1.311 -11.349
108 1HB PHE 17 1HB PHE 17 12.821 3.197 -11.240
109 2HB PHE 17 2HB PHE 17 13.131 3.389 -9.517
110 HD1 PHE 17 HD1 PHE 17 14.666 3.664 -12.871
111 HD2 PHE 17 HD2 PHE 17 14.968 4.619 -8.735
112 HE1 PHE 17 HE1 PHE 17 16.527 5.196 -13.364
113 HE2 PHE 17 HE2 PHE 17 16.828 6.156 -9.220
114 HZ PHE 17 HZ PHE 17 17.609 6.446 -11.538
115 H PHE 18 H PHE 18 13.896 2.015 -7.912
116 HA PHE 18 HA PHE 18 16.694 2.243 -7.375
117 1HB PHE 18 1HB PHE 18 14.361 3.007 -6.112
118 2HB PHE 18 2HB PHE 18 14.967 1.715 -5.089
119 HD1 PHE 18 HD1 PHE 18 16.074 4.826 -6.772
120 HD2 PHE 18 HD2 PHE 18 16.521 2.213 -3.448
121 HE1 PHE 18 HE1 PHE 18 17.670 6.402 -5.751
122 HE2 PHE 18 HE2 PHE 18 18.112 3.781 -2.416
123 HZ PHE 18 HZ PHE 18 18.689 5.880 -3.569
124 H SER 19 H SER 19 14.721 -0.395 -7.885
125 HA SER 19 HA SER 19 15.512 -2.217 -5.927
126 1HB SER 19 1HB SER 19 13.780 -2.311 -7.997
127 2HB SER 19 2HB SER 19 15.092 -3.289 -8.655
128 HG SER 19 HG SER 19 14.970 -4.478 -6.608
129 H GLN 20 H GLN 20 17.621 -2.423 -5.425
130 HA GLN 20 HA GLN 20 19.468 -3.130 -7.614
131 1HB GLN 20 1HB GLN 20 20.760 -2.371 -5.122
132 2HB GLN 20 2HB GLN 20 21.029 -1.767 -6.750
133 1HG GLN 20 1HG GLN 20 19.344 -0.134 -6.526
134 2HG GLN 20 2HG GLN 20 18.718 -0.880 -5.055
135 2HE2 GLN 20 2HE2 GLN 20 21.648 0.608 -6.376
136 1HE2 GLN 20 1HE2 GLN 20 22.135 1.368 -4.903
137 HA PRO 21 HA PRO 21 20.440 -6.967 -5.647
138 1HB PRO 21 1HB PRO 21 23.129 -7.044 -5.359
139 2HB PRO 21 2HB PRO 21 22.347 -7.128 -6.941
140 1HG PRO 21 1HG PRO 21 23.594 -4.776 -5.569
141 2HG PRO 21 2HG PRO 21 23.743 -5.290 -7.261
142 1HD PRO 21 1HD PRO 21 22.079 -3.301 -6.483
143 2HD PRO 21 2HD PRO 21 21.709 -4.374 -7.849
144 H GLY 22 H GLY 22 19.402 -5.510 -3.740
145 1HA GLY 22 1HA GLY 22 21.252 -5.270 -1.497
146 2HA GLY 22 2HA GLY 22 19.985 -6.479 -1.342
147 H ALA 23 H ALA 23 18.963 -3.852 -3.191
148 HA ALA 23 HA ALA 23 17.312 -2.942 -0.980
149 1HB ALA 23 2HB ALA 23 18.516 -1.118 -0.582
150 2HB ALA 23 3HB ALA 23 19.600 -1.489 -1.925
151 3HB ALA 23 1HB ALA 23 18.126 -0.564 -2.211
152 HA PRO 24 HA PRO 24 14.668 -2.763 -4.543
153 1HB PRO 24 1HB PRO 24 12.913 -4.505 -3.550
154 2HB PRO 24 2HB PRO 24 14.491 -5.044 -4.128
155 1HG PRO 24 1HG PRO 24 13.477 -4.895 -1.373
156 2HG PRO 24 2HG PRO 24 14.843 -5.817 -2.019
157 1HD PRO 24 1HD PRO 24 14.827 -3.211 -0.718
158 2HD PRO 24 2HD PRO 24 16.200 -4.274 -1.092
159 H ILE 25 H ILE 25 14.353 -0.502 -3.774
160 HA ILE 25 HA ILE 25 12.793 0.460 -1.833
161 HB ILE 25 HB ILE 25 13.026 1.334 -4.695
162 1HG1 ILE 25 1HG1 ILE 25 15.087 1.249 -3.511
163 2HG1 ILE 25 2HG1 ILE 25 14.588 2.940 -3.560
164 1HG2 ILE 25 1HG2 ILE 25 11.673 2.581 -2.329
165 2HG2 ILE 25 2HG2 ILE 25 12.453 3.607 -3.529
166 3HG2 ILE 25 3HG2 ILE 25 11.134 2.539 -4.006
167 1HD1 ILE 25 1HD1 ILE 25 13.468 2.397 -1.298
168 2HD1 ILE 25 2HD1 ILE 25 14.578 1.028 -1.289
169 3HD1 ILE 25 3HD1 ILE 25 15.210 2.669 -1.371
170 H LEU 26 H LEU 26 10.596 1.745 -2.586
171 HA LEU 26 HA LEU 26 8.711 -0.200 -3.624
172 1HB LEU 26 1HB LEU 26 7.910 0.883 -1.083
173 2HB LEU 26 2HB LEU 26 7.958 -0.793 -1.625
174 HG LEU 26 HG LEU 26 10.518 0.561 -1.053
175 1HD1 LEU 26 1HD1 LEU 26 8.508 0.659 0.849
176 2HD1 LEU 26 2HD1 LEU 26 9.467 -0.746 1.312
177 3HD1 LEU 26 3HD1 LEU 26 10.242 0.823 1.136
178 1HD2 LEU 26 1HD2 LEU 26 9.832 -1.971 -1.769
179 2HD2 LEU 26 2HD2 LEU 26 11.327 -1.535 -0.941
180 3HD2 LEU 26 3HD2 LEU 26 9.949 -2.133 -0.018
181 H GLN 27 H GLN 27 6.526 0.762 -2.469
182 HA GLN 27 HA GLN 27 5.894 3.407 -2.487
183 1HB GLN 27 1HB GLN 27 6.745 3.812 -4.631
184 2HB GLN 27 2HB GLN 27 6.114 2.301 -5.269
185 1HG GLN 27 1HG GLN 27 4.023 4.085 -4.310
186 2HG GLN 27 2HG GLN 27 5.000 4.789 -5.596
187 2HE2 GLN 27 2HE2 GLN 27 2.324 4.228 -5.943
188 1HE2 GLN 27 1HE2 GLN 27 2.154 2.941 -7.082
189 H CYS 28 H CYS 28 4.835 1.529 -1.100
190 HA CYS 28 HA CYS 28 3.048 0.021 -0.796
191 1HB CYS 28 1HB CYS 28 2.732 2.525 0.064
192 2HB CYS 28 2HB CYS 28 1.364 2.452 -1.035
193 H MET 29 H MET 29 1.971 -1.385 -1.986
194 HA MET 29 HA MET 29 1.127 -0.798 -4.649
195 1HB MET 29 1HB MET 29 1.946 -3.044 -3.812
196 2HB MET 29 2HB MET 29 0.394 -3.225 -3.012
197 1HG MET 29 1HG MET 29 0.357 -2.567 -5.894
198 2HG MET 29 2HG MET 29 0.886 -4.185 -5.440
199 1HE MET 29 1HE MET 29 -0.478 -5.812 -4.009
200 2HE MET 29 2HE MET 29 -2.173 -6.031 -4.444
201 3HE MET 29 3HE MET 29 -0.933 -6.031 -5.700
202 H GLY 30 H GLY 30 -1.017 -2.535 -2.480
203 1HA GLY 30 1HA GLY 30 -3.037 -0.419 -2.883
204 2HA GLY 30 2HA GLY 30 -2.982 -1.471 -1.478
205 H CYS 31 H CYS 31 -4.425 -3.038 -1.468
206 HA CYS 31 HA CYS 31 -6.180 -3.581 -3.553
207 1HB CYS 31 1HB CYS 31 -3.659 -4.916 -3.852
208 2HB CYS 31 2HB CYS 31 -4.913 -6.112 -3.543
209 H CYS 32 H CYS 32 -6.836 -3.145 -1.105
210 HA CYS 32 HA CYS 32 -7.065 -5.645 0.380
211 1HB CYS 32 1HB CYS 32 -8.455 -3.338 1.506
212 2HB CYS 32 2HB CYS 32 -7.225 -4.371 2.227
213 H PHE 33 H PHE 33 -9.446 -5.446 1.646
214 HA PHE 33 HA PHE 33 -11.649 -4.776 0.022
215 1HB PHE 33 1HB PHE 33 -12.222 -7.416 -0.161
216 2HB PHE 33 2HB PHE 33 -11.483 -6.481 -1.460
217 HD1 PHE 33 HD1 PHE 33 -10.136 -7.954 1.693
218 HD2 PHE 33 HD2 PHE 33 -9.930 -7.766 -2.554
219 HE1 PHE 33 HE1 PHE 33 -8.189 -9.455 1.725
220 HE2 PHE 33 HE2 PHE 33 -7.981 -9.270 -2.530
221 HZ PHE 33 HZ PHE 33 -7.109 -10.115 -0.387
222 H SER 34 H SER 34 -13.701 -5.956 0.834
223 HA SER 34 HA SER 34 -13.975 -7.341 3.152
224 1HB SER 34 1HB SER 34 -12.911 -4.716 3.702
225 2HB SER 34 2HB SER 34 -14.493 -4.902 4.457
226 HG SER 34 HG SER 34 -12.102 -6.193 4.992
227 H ARG 35 H ARG 35 -15.362 -6.823 0.755
228 HA ARG 35 HA ARG 35 -17.405 -6.233 -0.113
229 1HB ARG 35 1HB ARG 35 -17.697 -8.251 1.507
230 2HB ARG 35 2HB ARG 35 -18.536 -7.093 2.530
231 1HG ARG 35 1HG ARG 35 -19.284 -7.609 -0.336
232 2HG ARG 35 2HG ARG 35 -19.993 -8.473 1.028
233 1HD ARG 35 1HD ARG 35 -20.063 -5.648 1.520
234 2HD ARG 35 2HD ARG 35 -20.781 -5.998 -0.052
235 HE ARG 35 HE ARG 35 -21.781 -7.792 1.882
236 1HH1 ARG 35 1HH1 ARG 35 -21.981 -4.452 0.916
237 2HH1 ARG 35 2HH1 ARG 35 -23.592 -4.241 1.516
238 1HH2 ARG 35 1HH2 ARG 35 -23.908 -7.522 2.671
239 2HH2 ARG 35 2HH2 ARG 35 -24.686 -5.982 2.510
240 H ALA 36 H ALA 36 -17.496 -4.036 -0.335
241 HA ALA 36 HA ALA 36 -17.834 -2.212 1.798
242 1HB ALA 36 2HB ALA 36 -17.397 -2.051 -0.971
243 2HB ALA 36 3HB ALA 36 -18.887 -1.162 -0.656
244 3HB ALA 36 1HB ALA 36 -17.406 -0.730 0.198
245 H TYR 37 H TYR 37 -19.631 -1.260 2.658
246 HA TYR 37 HA TYR 37 -22.252 -1.961 1.573
247 1HB TYR 37 1HB TYR 37 -21.919 -3.691 3.207
248 2HB TYR 37 2HB TYR 37 -21.364 -2.526 4.406
249 HD1 TYR 37 HD1 TYR 37 -24.333 -2.454 2.147
250 HD2 TYR 37 HD2 TYR 37 -22.895 -2.592 6.148
251 HE1 TYR 37 HE1 TYR 37 -26.636 -2.219 2.976
252 HE2 TYR 37 HE2 TYR 37 -25.194 -2.360 6.989
253 HH TYR 37 HH TYR 37 -27.959 -2.381 4.802
254 HA PRO 38 HA PRO 38 -21.489 2.416 3.423
255 1HB PRO 38 1HB PRO 38 -21.743 3.705 0.993
256 2HB PRO 38 2HB PRO 38 -20.205 3.311 1.764
257 1HG PRO 38 1HG PRO 38 -21.667 1.861 -0.404
258 2HG PRO 38 2HG PRO 38 -19.927 2.160 -0.228
259 1HD PRO 38 1HD PRO 38 -21.012 -0.226 0.353
260 2HD PRO 38 2HD PRO 38 -19.662 0.435 1.300
261 H THR 39 H THR 39 -23.002 4.395 2.400
262 HA THR 39 HA THR 39 -25.678 3.435 2.895
263 HB THR 39 HB THR 39 -25.162 5.484 3.949
264 HG1 THR 39 HG1 THR 39 -26.537 7.010 2.711
265 1HG2 THR 39 1HG2 THR 39 -23.765 6.116 1.467
266 2HG2 THR 39 2HG2 THR 39 -24.700 7.454 2.133
267 3HG2 THR 39 3HG2 THR 39 -23.468 6.665 3.116
268 HA PRO 40 HA PRO 40 -26.912 3.326 -1.350
269 1HB PRO 40 1HB PRO 40 -29.670 3.520 -0.775
270 2HB PRO 40 2HB PRO 40 -28.717 2.041 -0.899
271 1HG PRO 40 1HG PRO 40 -29.914 3.060 1.426
272 2HG PRO 40 2HG PRO 40 -28.706 1.767 1.347
273 1HD PRO 40 1HD PRO 40 -28.362 4.648 2.013
274 2HD PRO 40 2HD PRO 40 -27.467 3.232 2.605
275 H LEU 41 H LEU 41 -26.059 5.871 -0.832
276 HA LEU 41 HA LEU 41 -26.470 8.126 -1.140
277 1HB LEU 41 1HB LEU 41 -27.742 6.988 -3.630
278 2HB LEU 41 2HB LEU 41 -27.059 8.593 -3.445
279 HG LEU 41 HG LEU 41 -24.971 6.875 -2.780
280 1HD1 LEU 41 1HD1 LEU 41 -26.742 5.304 -4.141
281 2HD1 LEU 41 2HD1 LEU 41 -25.697 5.894 -5.434
282 3HD1 LEU 41 3HD1 LEU 41 -25.001 5.041 -4.057
283 1HD2 LEU 41 1HD2 LEU 41 -25.412 9.041 -4.384
284 2HD2 LEU 41 2HD2 LEU 41 -23.892 8.152 -4.268
285 3HD2 LEU 41 3HD2 LEU 41 -25.035 7.780 -5.560
286 H ARG 42 H ARG 42 -28.612 9.193 -2.831
287 HA ARG 42 HA ARG 42 -30.791 9.054 -0.861
288 1HB ARG 42 1HB ARG 42 -31.466 11.274 -1.792
289 2HB ARG 42 2HB ARG 42 -29.881 11.269 -1.029
290 1HG ARG 42 1HG ARG 42 -29.226 12.334 -2.881
291 2HG ARG 42 2HG ARG 42 -29.227 10.725 -3.606
292 1HD ARG 42 1HD ARG 42 -30.792 11.367 -5.042
293 2HD ARG 42 2HD ARG 42 -31.880 11.724 -3.701
294 HE ARG 42 HE ARG 42 -30.234 13.619 -5.176
295 1HH1 ARG 42 1HH1 ARG 42 -32.381 13.016 -2.499
296 2HH1 ARG 42 2HH1 ARG 42 -32.749 14.689 -2.252
297 1HH2 ARG 42 1HH2 ARG 42 -30.709 15.823 -4.855
298 2HH2 ARG 42 2HH2 ARG 42 -31.799 16.286 -3.591
299 H SER 43 H SER 43 -29.981 8.726 -4.234
300 HA SER 43 HA SER 43 -32.078 7.062 -4.892
301 1HB SER 43 1HB SER 43 -32.782 9.940 -5.021
302 2HB SER 43 2HB SER 43 -33.259 8.960 -6.407
303 HG SER 43 HG SER 43 -33.990 8.650 -3.695
304 H LYS 44 H LYS 44 -29.967 9.648 -5.973
305 HA LYS 44 HA LYS 44 -28.540 9.802 -7.742
306 1HB LYS 44 1HB LYS 44 -28.250 7.287 -7.063
307 2HB LYS 44 2HB LYS 44 -29.140 6.980 -8.547
308 1HG LYS 44 1HG LYS 44 -26.792 6.844 -8.999
309 2HG LYS 44 2HG LYS 44 -27.444 8.279 -9.790
310 1HD LYS 44 1HD LYS 44 -26.713 9.328 -7.414
311 2HD LYS 44 2HD LYS 44 -25.510 8.046 -7.576
312 1HE LYS 44 1HE LYS 44 -26.080 9.925 -9.839
313 2HE LYS 44 2HE LYS 44 -24.977 10.380 -8.540
314 1HZ LYS 44 1HZ LYS 44 -24.580 7.787 -9.842
315 2HZ LYS 44 2HZ LYS 44 -24.128 9.177 -10.693
316 3HZ LYS 44 3HZ LYS 44 -23.441 8.848 -9.181
317 H LYS 45 H LYS 45 -31.641 9.839 -7.916
318 HA LYS 45 HA LYS 45 -32.151 9.261 -10.689
319 1HB LYS 45 1HB LYS 45 -34.387 10.068 -10.257
320 2HB LYS 45 2HB LYS 45 -33.888 9.017 -8.939
321 1HG LYS 45 1HG LYS 45 -33.265 11.101 -7.667
322 2HG LYS 45 2HG LYS 45 -34.084 12.014 -8.936
323 1HD LYS 45 1HD LYS 45 -36.149 11.350 -8.267
324 2HD LYS 45 2HD LYS 45 -35.585 9.760 -7.750
325 1HE LYS 45 1HE LYS 45 -36.370 11.307 -5.915
326 2HE LYS 45 2HE LYS 45 -34.765 10.609 -5.703
327 1HZ LYS 45 1HZ LYS 45 -34.339 12.947 -7.063
328 2HZ LYS 45 2HZ LYS 45 -35.526 13.347 -5.925
329 3HZ LYS 45 3HZ LYS 45 -34.057 12.679 -5.417
330 H THR 46 H THR 46 -31.180 10.514 -12.148
331 HA THR 46 HA THR 46 -31.963 13.043 -12.794
332 HB THR 46 HB THR 46 -30.400 13.173 -10.462
333 HG1 THR 46 HG1 THR 46 -30.564 15.484 -10.978
334 1HG2 THR 46 1HG2 THR 46 -28.441 12.995 -12.116
335 2HG2 THR 46 2HG2 THR 46 -28.905 14.624 -12.605
336 3HG2 THR 46 3HG2 THR 46 -28.437 14.305 -10.935
337 H MET 47 H MET 47 -30.335 14.191 -14.269
338 HA MET 47 HA MET 47 -29.525 12.501 -16.292
339 1HB MET 47 1HB MET 47 -27.849 14.548 -16.732
340 2HB MET 47 2HB MET 47 -29.571 14.635 -17.078
341 1HG MET 47 1HG MET 47 -28.750 15.391 -14.349
342 2HG MET 47 2HG MET 47 -28.246 16.469 -15.648
343 1HE MET 47 1HE MET 47 -29.323 18.014 -14.141
344 2HE MET 47 2HE MET 47 -30.279 18.807 -15.391
345 3HE MET 47 3HE MET 47 -31.054 18.257 -13.905
346 H LEU 48 H LEU 48 -27.038 12.737 -17.087
347 HA LEU 48 HA LEU 48 -25.266 12.006 -14.874
348 1HB LEU 48 1HB LEU 48 -24.493 10.016 -15.947
349 2HB LEU 48 2HB LEU 48 -26.240 9.924 -15.822
350 HG LEU 48 HG LEU 48 -26.318 10.732 -18.235
351 1HD1 LEU 48 1HD1 LEU 48 -23.415 10.550 -17.801
352 2HD1 LEU 48 2HD1 LEU 48 -24.007 9.829 -19.298
353 3HD1 LEU 48 3HD1 LEU 48 -24.336 11.526 -18.945
354 1HD2 LEU 48 1HD2 LEU 48 -26.378 8.279 -17.223
355 2HD2 LEU 48 2HD2 LEU 48 -26.415 8.578 -18.961
356 3HD2 LEU 48 3HD2 LEU 48 -24.901 8.127 -18.175
357 H VAL 49 H VAL 49 -22.966 11.847 -15.604
358 HA VAL 49 HA VAL 49 -22.187 13.049 -18.070
359 HB VAL 49 HB VAL 49 -22.720 15.150 -17.215
360 1HG1 VAL 49 1HG1 VAL 49 -22.117 13.913 -14.631
361 2HG1 VAL 49 2HG1 VAL 49 -21.608 15.596 -14.766
362 3HG1 VAL 49 3HG1 VAL 49 -23.294 15.159 -15.046
363 1HG2 VAL 49 1HG2 VAL 49 -20.342 14.906 -18.004
364 2HG2 VAL 49 2HG2 VAL 49 -20.650 16.288 -16.952
365 3HG2 VAL 49 3HG2 VAL 49 -19.866 14.846 -16.307
366 H GLN 50 H GLN 50 -20.257 12.274 -18.576
367 HA GLN 50 HA GLN 50 -18.317 11.081 -18.410
368 1HB GLN 50 1HB GLN 50 -17.280 13.076 -17.796
369 2HB GLN 50 2HB GLN 50 -18.111 13.148 -16.250
370 1HG GLN 50 1HG GLN 50 -16.690 10.903 -15.885
371 2HG GLN 50 2HG GLN 50 -15.630 11.752 -17.008
372 2HE2 GLN 50 2HE2 GLN 50 -16.158 14.371 -16.207
373 1HE2 GLN 50 1HE2 GLN 50 -15.512 14.602 -14.622
374 H LYS 51 H LYS 51 -18.460 8.986 -17.937
375 HA LYS 51 HA LYS 51 -19.680 7.865 -15.700
376 1HB LYS 51 1HB LYS 51 -18.222 6.931 -17.974
377 2HB LYS 51 2HB LYS 51 -17.595 6.119 -16.546
378 1HG LYS 51 1HG LYS 51 -19.362 4.790 -16.447
379 2HG LYS 51 2HG LYS 51 -20.466 6.167 -16.482
380 1HD LYS 51 1HD LYS 51 -20.423 6.211 -18.885
381 2HD LYS 51 2HD LYS 51 -19.163 4.975 -18.927
382 1HE LYS 51 1HE LYS 51 -20.707 3.364 -17.930
383 2HE LYS 51 2HE LYS 51 -21.962 4.600 -17.864
384 1HZ LYS 51 1HZ LYS 51 -20.793 4.207 -20.476
385 2HZ LYS 51 2HZ LYS 51 -21.643 2.869 -19.884
386 3HZ LYS 51 3HZ LYS 51 -22.416 4.366 -20.029
387 H ASN 52 H ASN 52 -18.322 6.296 -14.200
388 HA ASN 52 HA ASN 52 -15.949 7.714 -13.215
389 1HB ASN 52 1HB ASN 52 -17.459 8.543 -11.668
390 2HB ASN 52 2HB ASN 52 -18.452 7.088 -11.701
391 2HD2 ASN 52 2HD2 ASN 52 -15.497 8.511 -10.493
392 1HD2 ASN 52 1HD2 ASN 52 -15.255 7.388 -9.203
393 H VAL 53 H VAL 53 -14.507 6.460 -11.962
394 HA VAL 53 HA VAL 53 -14.943 3.560 -11.990
395 HB VAL 53 HB VAL 53 -12.247 3.766 -12.511
396 1HG1 VAL 53 1HG1 VAL 53 -14.663 2.909 -13.951
397 2HG1 VAL 53 2HG1 VAL 53 -13.244 3.194 -14.958
398 3HG1 VAL 53 3HG1 VAL 53 -13.164 2.039 -13.627
399 1HG2 VAL 53 1HG2 VAL 53 -12.863 6.207 -13.140
400 2HG2 VAL 53 2HG2 VAL 53 -11.827 5.273 -14.220
401 3HG2 VAL 53 3HG2 VAL 53 -13.537 5.478 -14.597
402 H THR 54 H THR 54 -15.208 3.598 -9.765
403 HA THR 54 HA THR 54 -12.763 3.602 -8.246
404 HB THR 54 HB THR 54 -14.866 5.359 -7.071
405 HG1 THR 54 HG1 THR 54 -13.072 6.850 -8.391
406 1HG2 THR 54 1HG2 THR 54 -12.453 4.613 -6.162
407 2HG2 THR 54 2HG2 THR 54 -12.023 6.098 -7.011
408 3HG2 THR 54 3HG2 THR 54 -13.240 6.133 -5.735
409 H SER 55 H SER 55 -12.879 1.910 -6.932
410 HA SER 55 HA SER 55 -15.498 1.168 -5.813
411 1HB SER 55 1HB SER 55 -13.435 -0.858 -6.678
412 2HB SER 55 2HB SER 55 -15.116 -1.143 -6.232
413 HG SER 55 HG SER 55 -14.977 -1.172 -8.454
414 H GLU 56 H GLU 56 -15.020 2.100 -3.837
415 HA GLU 56 HA GLU 56 -13.552 2.530 -1.992
416 1HB GLU 56 1HB GLU 56 -15.243 0.091 -1.858
417 2HB GLU 56 2HB GLU 56 -14.119 0.362 -0.536
418 1HG GLU 56 1HG GLU 56 -16.666 1.426 -0.821
419 2HG GLU 56 2HG GLU 56 -15.451 1.873 0.373
420 H SER 57 H SER 57 -11.399 2.537 -2.093
421 HA SER 57 HA SER 57 -10.018 -0.063 -2.168
422 1HB SER 57 1HB SER 57 -8.767 2.557 -2.981
423 2HB SER 57 2HB SER 57 -8.218 0.922 -3.349
424 HG SER 57 HG SER 57 -9.213 1.540 -5.170
425 H THR 58 H THR 58 -10.889 0.685 0.265
426 HA THR 58 HA THR 58 -10.306 1.449 2.364
427 HB THR 58 HB THR 58 -8.344 0.303 3.203
428 HG1 THR 58 HG1 THR 58 -7.664 -0.025 0.471
429 1HG2 THR 58 1HG2 THR 58 -10.350 -1.066 2.474
430 2HG2 THR 58 2HG2 THR 58 -9.397 -1.497 1.054
431 3HG2 THR 58 3HG2 THR 58 -8.818 -1.920 2.665
432 H CYS 59 H CYS 59 -7.391 1.848 3.088
433 HA CYS 59 HA CYS 59 -6.709 4.269 1.661
434 1HB CYS 59 1HB CYS 59 -6.489 5.391 4.040
435 2HB CYS 59 2HB CYS 59 -7.990 5.461 3.126
436 H CYS 60 H CYS 60 -4.768 3.524 1.105
437 HA CYS 60 HA CYS 60 -2.978 2.429 3.122
438 1HB CYS 60 1HB CYS 60 -2.477 2.897 0.174
439 2HB CYS 60 2HB CYS 60 -1.455 1.975 1.270
440 H VAL 61 H VAL 61 -0.701 3.255 3.156
441 HA VAL 61 HA VAL 61 0.272 5.623 2.284
442 HB VAL 61 HB VAL 61 -1.500 6.952 3.050
443 1HG1 VAL 61 1HG1 VAL 61 -1.599 4.996 5.243
444 2HG1 VAL 61 2HG1 VAL 61 -1.994 6.656 5.692
445 3HG1 VAL 61 3HG1 VAL 61 -2.904 5.847 4.416
446 1HG2 VAL 61 1HG2 VAL 61 1.014 7.290 4.129
447 2HG2 VAL 61 2HG2 VAL 61 -0.284 8.484 4.131
448 3HG2 VAL 61 3HG2 VAL 61 -0.051 7.434 5.528
449 H ALA 62 H ALA 62 1.717 3.684 2.756
450 HA ALA 62 HA ALA 62 2.874 2.435 4.519
451 1HB ALA 62 1HB ALA 62 4.659 4.770 4.098
452 2HB ALA 62 3HB ALA 62 5.010 3.044 4.008
453 3HB ALA 62 2HB ALA 62 4.144 3.838 2.692
454 H LYS 63 H LYS 63 2.309 2.277 6.452
455 HA LYS 63 HA LYS 63 1.786 4.165 8.391
456 1HB LYS 63 1HB LYS 63 3.377 1.936 9.367
457 2HB LYS 63 2HB LYS 63 1.715 2.356 9.745
458 1HG LYS 63 1HG LYS 63 1.589 1.371 7.204
459 2HG LYS 63 2HG LYS 63 2.800 0.374 7.996
460 1HD LYS 63 1HD LYS 63 0.227 0.929 9.395
461 2HD LYS 63 2HD LYS 63 0.267 -0.289 8.118
462 1HE LYS 63 1HE LYS 63 2.230 -0.301 10.391
463 2HE LYS 63 2HE LYS 63 0.649 -1.069 10.526
464 1HZ LYS 63 1HZ LYS 63 2.249 -1.745 8.184
465 2HZ LYS 63 2HZ LYS 63 2.786 -2.351 9.669
466 3HZ LYS 63 3HZ LYS 63 1.229 -2.721 9.117
467 H SER 64 H SER 64 4.699 2.590 7.372
468 HA SER 64 HA SER 64 6.239 4.674 8.627
469 1HB SER 64 1HB SER 64 6.423 2.492 9.838
470 2HB SER 64 2HB SER 64 7.116 1.808 8.372
471 HG SER 64 HG SER 64 8.193 3.717 10.130
472 H TYR 65 H TYR 65 8.655 4.375 7.616
473 HA TYR 65 HA TYR 65 8.599 3.691 4.824
474 1HB TYR 65 1HB TYR 65 9.338 6.139 4.282
475 2HB TYR 65 2HB TYR 65 7.629 5.721 4.356
476 HD1 TYR 65 HD1 TYR 65 10.382 7.438 6.083
477 HD2 TYR 65 HD2 TYR 65 6.214 6.592 6.104
478 HE1 TYR 65 HE1 TYR 65 10.044 9.182 7.784
479 HE2 TYR 65 HE2 TYR 65 5.862 8.332 7.805
480 HH TYR 65 HH TYR 65 7.059 10.448 8.552
481 H ASN 66 H ASN 66 10.606 4.068 3.744
482 HA ASN 66 HA ASN 66 12.846 4.631 5.558
483 1HB ASN 66 1HB ASN 66 12.477 2.127 5.279
484 2HB ASN 66 2HB ASN 66 12.945 2.352 3.602
485 2HD2 ASN 66 2HD2 ASN 66 14.416 0.646 4.944
486 1HD2 ASN 66 1HD2 ASN 66 15.954 1.308 5.371
487 H ARG 67 H ARG 67 11.371 5.982 3.699
488 HA ARG 67 HA ARG 67 11.640 6.673 1.338
489 1HB ARG 67 1HB ARG 67 11.677 8.203 3.589
490 2HB ARG 67 2HB ARG 67 13.124 8.753 2.759
491 1HG ARG 67 1HG ARG 67 11.150 8.648 0.797
492 2HG ARG 67 2HG ARG 67 10.363 9.330 2.223
493 1HD ARG 67 1HD ARG 67 12.972 10.313 1.069
494 2HD ARG 67 2HD ARG 67 11.399 11.037 0.739
495 HE ARG 67 HE ARG 67 12.966 11.291 3.149
496 1HH1 ARG 67 1HH1 ARG 67 9.789 11.537 1.738
497 2HH1 ARG 67 2HH1 ARG 67 9.204 12.648 2.932
498 1HH2 ARG 67 1HH2 ARG 67 12.211 12.764 4.713
499 2HH2 ARG 67 2HH2 ARG 67 10.582 13.347 4.622
500 H VAL 68 H VAL 68 12.893 6.704 -0.337
501 HA VAL 68 HA VAL 68 15.795 6.907 -0.042
502 HB VAL 68 HB VAL 68 16.273 5.025 -1.391
503 1HG1 VAL 68 1HG1 VAL 68 14.909 4.706 1.016
504 2HG1 VAL 68 2HG1 VAL 68 14.194 3.521 -0.071
505 3HG1 VAL 68 3HG1 VAL 68 15.931 3.519 0.210
506 1HG2 VAL 68 1HG2 VAL 68 13.806 5.557 -2.590
507 2HG2 VAL 68 2HG2 VAL 68 14.956 4.297 -3.029
508 3HG2 VAL 68 3HG2 VAL 68 13.645 3.947 -1.907
509 H THR 69 H THR 69 14.236 8.952 -0.815
510 HA THR 69 HA THR 69 13.254 9.644 -3.056
511 HB THR 69 HB THR 69 15.839 10.907 -2.174
512 HG1 THR 69 HG1 THR 69 13.934 10.857 -0.727
513 1HG2 THR 69 1HG2 THR 69 14.050 11.523 -4.391
514 2HG2 THR 69 2HG2 THR 69 14.360 12.883 -3.313
515 3HG2 THR 69 3HG2 THR 69 15.707 12.045 -4.086
516 H VAL 70 H VAL 70 13.316 8.993 -5.053
517 HA VAL 70 HA VAL 70 15.909 8.292 -6.251
518 HB VAL 70 HB VAL 70 14.977 6.560 -7.491
519 1HG1 VAL 70 1HG1 VAL 70 15.199 6.242 -4.935
520 2HG1 VAL 70 2HG1 VAL 70 13.436 6.263 -4.925
521 3HG1 VAL 70 3HG1 VAL 70 14.298 5.030 -5.845
522 1HG2 VAL 70 1HG2 VAL 70 12.921 7.720 -8.174
523 2HG2 VAL 70 2HG2 VAL 70 12.613 6.065 -7.654
524 3HG2 VAL 70 3HG2 VAL 70 12.233 7.410 -6.581
525 H MET 71 H MET 71 14.941 7.814 -8.738
526 HA MET 71 HA MET 71 15.462 9.631 -10.338
527 1HB MET 71 1HB MET 71 12.940 8.080 -10.332
528 2HB MET 71 2HB MET 71 13.137 9.330 -11.559
529 1HG MET 71 1HG MET 71 15.415 8.255 -11.980
530 2HG MET 71 2HG MET 71 14.763 6.880 -11.094
531 1HE MET 71 1HE MET 71 13.689 9.477 -13.731
532 2HE MET 71 2HE MET 71 14.955 8.613 -14.602
533 3HE MET 71 3HE MET 71 13.277 8.491 -15.133
534 H GLY 72 H GLY 72 15.219 11.699 -10.847
535 1HA GLY 72 1HA GLY 72 13.069 13.297 -10.899
536 2HA GLY 72 2HA GLY 72 14.660 13.898 -10.465
537 H GLY 73 H GLY 73 14.595 12.167 -7.987
538 1HA GLY 73 1HA GLY 73 13.301 14.153 -6.316
539 2HA GLY 73 2HA GLY 73 14.300 12.816 -5.767
540 H PHE 74 H PHE 74 12.847 10.752 -7.119
541 HA PHE 74 HA PHE 74 10.104 10.855 -6.330
542 1HB PHE 74 1HB PHE 74 11.899 8.936 -7.649
543 2HB PHE 74 2HB PHE 74 10.610 8.199 -6.705
544 HD1 PHE 74 HD1 PHE 74 9.818 11.432 -8.030
545 HD2 PHE 74 HD2 PHE 74 9.895 7.277 -8.948
546 HE1 PHE 74 HE1 PHE 74 8.253 11.818 -9.889
547 HE2 PHE 74 HE2 PHE 74 8.333 7.657 -10.811
548 HZ PHE 74 HZ PHE 74 7.508 9.929 -11.282
549 H LYS 75 H LYS 75 9.311 10.533 -4.376
550 HA LYS 75 HA LYS 75 11.037 9.323 -2.344
551 1HB LYS 75 1HB LYS 75 8.421 10.764 -1.901
552 2HB LYS 75 2HB LYS 75 9.657 10.391 -0.708
553 1HG LYS 75 1HG LYS 75 10.313 12.496 -1.039
554 2HG LYS 75 2HG LYS 75 11.071 11.863 -2.500
555 1HD LYS 75 1HD LYS 75 9.776 13.180 -3.737
556 2HD LYS 75 2HD LYS 75 8.346 12.368 -3.096
557 1HE LYS 75 1HE LYS 75 7.981 14.599 -2.551
558 2HE LYS 75 2HE LYS 75 8.645 13.924 -1.064
559 1HZ LYS 75 1HZ LYS 75 10.858 14.745 -1.851
560 2HZ LYS 75 2HZ LYS 75 10.049 15.583 -3.078
561 3HZ LYS 75 3HZ LYS 75 9.746 15.959 -1.458
562 H VAL 76 H VAL 76 10.797 7.206 -2.126
563 HA VAL 76 HA VAL 76 8.166 5.970 -2.409
564 HB VAL 76 HB VAL 76 9.408 3.759 -2.363
565 1HG1 VAL 76 1HG1 VAL 76 9.363 5.595 -4.445
566 2HG1 VAL 76 2HG1 VAL 76 11.080 5.217 -4.301
567 3HG1 VAL 76 3HG1 VAL 76 9.912 3.923 -4.560
568 1HG2 VAL 76 1HG2 VAL 76 11.325 5.499 -1.169
569 2HG2 VAL 76 2HG2 VAL 76 11.403 3.752 -1.373
570 3HG2 VAL 76 3HG2 VAL 76 12.056 4.819 -2.617
571 H GLU 77 H GLU 77 9.549 7.523 -0.196
572 HA GLU 77 HA GLU 77 10.089 7.178 2.096
573 1HB GLU 77 1HB GLU 77 7.354 7.486 1.475
574 2HB GLU 77 2HB GLU 77 7.413 6.189 2.660
575 1HG GLU 77 1HG GLU 77 7.253 7.943 4.073
576 2HG GLU 77 2HG GLU 77 9.006 7.903 3.898
577 H ASN 78 H ASN 78 10.922 5.148 0.592
578 HA ASN 78 HA ASN 78 10.551 2.784 0.272
579 1HB ASN 78 1HB ASN 78 12.880 3.519 0.833
580 2HB ASN 78 2HB ASN 78 12.536 3.099 2.509
581 H HIS 79 H HIS 79 8.417 2.862 1.088
582 HA HIS 79 HA HIS 79 7.438 2.666 3.505
583 1HB HIS 79 1HB HIS 79 6.642 0.894 1.214
584 2HB HIS 79 2HB HIS 79 5.653 1.210 2.643
585 HD1 HIS 79 HD1 HIS 79 4.226 2.149 0.296
586 HD2 HIS 79 HD2 HIS 79 7.249 4.383 2.030
587 HE1 HIS 79 HE1 HIS 79 3.878 4.525 -0.505
588 H THR 80 H THR 80 7.699 1.676 5.203
589 HA THR 80 HA THR 80 8.887 -1.010 5.163
590 HB THR 80 HB THR 80 9.869 -0.585 7.228
591 HG1 THR 80 HG1 THR 80 9.153 0.983 8.648
592 1HG2 THR 80 1HG2 THR 80 10.527 1.060 5.298
593 2HG2 THR 80 2HG2 THR 80 9.825 2.263 6.380
594 3HG2 THR 80 3HG2 THR 80 11.173 1.264 6.926
595 H ALA 81 H ALA 81 6.131 0.908 6.240
596 HA ALA 81 HA ALA 81 4.693 -1.577 6.706
597 1HB ALA 81 1HB ALA 81 5.569 -0.740 8.912
598 2HB ALA 81 2HB ALA 81 4.581 0.702 8.680
599 3HB ALA 81 3HB ALA 81 3.814 -0.879 8.818
600 H CYS 82 H CYS 82 2.614 -1.436 5.916
601 HA CYS 82 HA CYS 82 1.697 1.246 5.119
602 1HB CYS 82 1HB CYS 82 1.989 -1.194 3.492
603 2HB CYS 82 2HB CYS 82 0.459 -0.349 3.292
604 H HIS 83 H HIS 83 -0.338 1.797 5.618
605 HA HIS 83 HA HIS 83 -2.014 -0.291 6.837
606 1HB HIS 83 1HB HIS 83 -2.988 1.591 8.219
607 2HB HIS 83 2HB HIS 83 -1.335 1.129 8.603
608 HD1 HIS 83 HD1 HIS 83 -3.191 4.032 8.484
609 HD2 HIS 83 HD2 HIS 83 0.428 2.968 6.745
610 HE1 HIS 83 HE1 HIS 83 -2.027 6.201 7.974
611 HE2 HIS 83 HE2 HIS 83 0.135 5.533 6.867
612 H CYS 84 H CYS 84 -3.555 -0.772 5.427
613 HA CYS 84 HA CYS 84 -4.896 1.413 3.972
614 1HB CYS 84 1HB CYS 84 -5.198 0.034 2.182
615 2HB CYS 84 2HB CYS 84 -3.754 -0.722 2.845
616 H SER 85 H SER 85 -6.780 2.002 4.769
617 HA SER 85 HA SER 85 -9.015 1.711 5.356
618 1HB SER 85 1HB SER 85 -9.965 -0.364 5.673
619 2HB SER 85 2HB SER 85 -8.538 -0.830 4.748
620 HG SER 85 HG SER 85 -7.581 -0.967 7.022
621 H THR 86 H THR 86 -10.162 1.166 7.562
622 HA THR 86 HA THR 86 -10.337 1.895 9.720
623 HB THR 86 HB THR 86 -7.946 0.873 10.841
624 HG1 THR 86 HG1 THR 86 -8.345 -1.339 9.834
625 1HG2 THR 86 1HG2 THR 86 -10.362 0.698 11.650
626 2HG2 THR 86 2HG2 THR 86 -10.474 -0.709 10.592
627 3HG2 THR 86 3HG2 THR 86 -9.299 -0.687 11.907
628 H CYS 87 H CYS 87 -8.742 3.582 7.816
629 HA CYS 87 HA CYS 87 -6.632 4.776 9.320
630 1HB CYS 87 1HB CYS 87 -6.931 6.644 7.564
631 2HB CYS 87 2HB CYS 87 -6.419 5.058 7.003
632 H TYR 88 H TYR 88 -7.090 5.700 11.213
633 HA TYR 88 HA TYR 88 -9.215 6.609 12.422
634 1HB TYR 88 1HB TYR 88 -6.515 7.877 12.241
635 2HB TYR 88 2HB TYR 88 -7.785 8.725 13.117
636 HD1 TYR 88 HD1 TYR 88 -8.215 5.198 13.263
637 HD2 TYR 88 HD2 TYR 88 -6.054 8.418 15.015
638 HE1 TYR 88 HE1 TYR 88 -7.769 3.813 15.247
639 HE2 TYR 88 HE2 TYR 88 -5.601 7.041 17.002
640 HH TYR 88 HH TYR 88 -7.026 4.791 18.049
641 H TYR 89 H TYR 89 -10.973 7.651 11.815
642 HA TYR 89 HA TYR 89 -10.733 10.189 10.392
643 1HB TYR 89 1HB TYR 89 -12.720 9.369 8.928
644 2HB TYR 89 2HB TYR 89 -11.087 8.864 8.504
645 HD1 TYR 89 HD1 TYR 89 -13.328 7.547 11.171
646 HD2 TYR 89 HD2 TYR 89 -11.371 6.790 7.470
647 HE1 TYR 89 HE1 TYR 89 -14.025 5.190 11.291
648 HE2 TYR 89 HE2 TYR 89 -12.062 4.433 7.579
649 HH TYR 89 HH TYR 89 -13.683 3.119 10.411
650 H HIS 90 H HIS 90 -13.256 10.894 9.995
651 HA HIS 90 HA HIS 90 -15.020 10.202 12.137
652 1HB HIS 90 1HB HIS 90 -13.131 12.353 12.546
653 2HB HIS 90 2HB HIS 90 -14.781 12.963 12.588
654 HD1 HIS 90 HD1 HIS 90 -12.360 10.883 14.481
655 HD2 HIS 90 HD2 HIS 90 -16.365 11.963 14.721
656 HE1 HIS 90 HE1 HIS 90 -13.094 10.231 16.796
657 HE2 HIS 90 HE2 HIS 90 -15.541 10.826 16.893
658 H LYS 91 H LYS 91 -14.893 10.552 9.184
659 HA LYS 91 HA LYS 91 -16.000 11.635 7.463
660 1HB LYS 91 1HB LYS 91 -18.111 10.794 9.442
661 2HB LYS 91 2HB LYS 91 -18.519 11.437 7.857
662 1HG LYS 91 1HG LYS 91 -16.639 9.130 8.112
663 2HG LYS 91 2HG LYS 91 -18.384 8.882 8.189
664 1HD LYS 91 1HD LYS 91 -18.695 9.734 6.005
665 2HD LYS 91 2HD LYS 91 -17.054 10.382 5.945
666 1HE LYS 91 1HE LYS 91 -16.394 8.491 4.983
667 2HE LYS 91 2HE LYS 91 -16.793 7.638 6.474
668 1HZ LYS 91 1HZ LYS 91 -19.095 8.170 4.861
669 2HZ LYS 91 2HZ LYS 91 -17.948 7.235 4.042
670 3HZ LYS 91 3HZ LYS 91 -18.563 6.710 5.528
671 H SER 92 H SER 92 -14.904 13.547 9.213
672 HA SER 92 HA SER 92 -16.617 15.783 8.611
673 1HB SER 92 1HB SER 92 -16.902 14.626 11.130
674 2HB SER 92 2HB SER 92 -15.841 16.008 11.407
675 HG SER 92 HG SER 92 -18.471 15.997 11.010
No H/Q in entry = 675
Start of MODEL 26
1 H1 ALA 1 H1 ALA 1 3.472 -9.018 -9.753
2 H2 ALA 1 H2 ALA 1 4.266 -10.147 -8.737
3 H3 ALA 1 H3 ALA 1 5.147 -8.842 -9.420
4 HA ALA 1 HA ALA 1 5.694 -10.125 -11.054
5 1HB ALA 1 1HB ALA 1 3.875 -12.320 -10.964
6 2HB ALA 1 2HB ALA 1 5.590 -12.285 -10.554
7 3HB ALA 1 3HB ALA 1 4.380 -11.927 -9.322
8 HA PRO 2 HA PRO 2 2.636 -8.689 -13.983
9 1HB PRO 2 1HB PRO 2 4.608 -9.178 -16.053
10 2HB PRO 2 2HB PRO 2 4.013 -7.637 -15.432
11 1HG PRO 2 1HG PRO 2 6.555 -8.548 -15.028
12 2HG PRO 2 2HG PRO 2 5.720 -7.439 -13.928
13 1HD PRO 2 1HD PRO 2 6.141 -10.391 -13.684
14 2HD PRO 2 2HD PRO 2 6.210 -9.132 -12.432
15 H ASP 3 H ASP 3 1.072 -10.177 -14.298
16 HA ASP 3 HA ASP 3 1.556 -12.236 -16.299
17 1HB ASP 3 1HB ASP 3 1.372 -12.837 -13.512
18 2HB ASP 3 2HB ASP 3 -0.064 -13.467 -14.314
19 H VAL 4 H VAL 4 0.043 -9.701 -16.078
20 HA VAL 4 HA VAL 4 -2.105 -8.863 -16.311
21 HB VAL 4 HB VAL 4 -3.051 -9.484 -18.415
22 1HG1 VAL 4 1HG1 VAL 4 -0.275 -8.972 -18.078
23 2HG1 VAL 4 2HG1 VAL 4 -0.479 -10.050 -19.458
24 3HG1 VAL 4 3HG1 VAL 4 -1.328 -8.505 -19.413
25 1HG2 VAL 4 1HG2 VAL 4 -1.649 -12.070 -17.921
26 2HG2 VAL 4 2HG2 VAL 4 -3.298 -11.771 -18.472
27 3HG2 VAL 4 3HG2 VAL 4 -1.944 -11.553 -19.580
28 H GLN 5 H GLN 5 -2.011 -10.899 -14.271
29 HA GLN 5 HA GLN 5 -4.476 -12.414 -14.662
30 1HB GLN 5 1HB GLN 5 -2.093 -12.688 -13.006
31 2HB GLN 5 2HB GLN 5 -3.576 -12.938 -12.096
32 1HG GLN 5 1HG GLN 5 -3.555 -14.315 -14.662
33 2HG GLN 5 2HG GLN 5 -2.261 -14.825 -13.577
34 2HE2 GLN 5 2HE2 GLN 5 -3.335 -14.738 -11.146
35 1HE2 GLN 5 1HE2 GLN 5 -4.687 -15.807 -11.018
36 H ASP 6 H ASP 6 -5.394 -12.594 -12.073
37 HA ASP 6 HA ASP 6 -7.044 -10.351 -11.850
38 1HB ASP 6 1HB ASP 6 -6.551 -11.836 -9.345
39 2HB ASP 6 2HB ASP 6 -8.067 -11.480 -10.165
40 H CYS 7 H CYS 7 -6.367 -8.352 -11.451
41 HA CYS 7 HA CYS 7 -4.071 -7.376 -10.505
42 1HB CYS 7 1HB CYS 7 -6.056 -6.024 -11.205
43 2HB CYS 7 2HB CYS 7 -6.743 -6.285 -9.607
44 HA PRO 8 HA PRO 8 -3.441 -9.188 -6.479
45 1HB PRO 8 1HB PRO 8 -1.513 -6.938 -6.252
46 2HB PRO 8 2HB PRO 8 -1.253 -8.670 -6.025
47 1HG PRO 8 1HG PRO 8 -0.362 -7.444 -8.213
48 2HG PRO 8 2HG PRO 8 -1.055 -9.075 -8.301
49 1HD PRO 8 1HD PRO 8 -2.283 -6.451 -9.049
50 2HD PRO 8 2HD PRO 8 -2.406 -8.026 -9.860
51 H GLU 9 H GLU 9 -2.506 -7.563 -4.355
52 HA GLU 9 HA GLU 9 -4.810 -5.782 -3.898
53 1HB GLU 9 1HB GLU 9 -4.731 -8.075 -2.664
54 2HB GLU 9 2HB GLU 9 -3.509 -7.302 -1.665
55 1HG GLU 9 1HG GLU 9 -5.011 -6.065 -0.565
56 2HG GLU 9 2HG GLU 9 -5.942 -5.719 -2.021
57 H CYS 10 H CYS 10 -4.432 -3.847 -2.930
58 HA CYS 10 HA CYS 10 -2.319 -2.320 -3.216
59 1HB CYS 10 1HB CYS 10 -4.378 -1.642 -2.011
60 2HB CYS 10 2HB CYS 10 -3.768 -2.444 -0.567
61 H THR 11 H THR 11 -0.182 -2.460 -2.882
62 HA THR 11 HA THR 11 0.903 -3.115 -0.345
63 HB THR 11 HB THR 11 0.352 -5.403 -1.055
64 HG1 THR 11 HG1 THR 11 2.499 -6.226 -0.849
65 1HG2 THR 11 1HG2 THR 11 1.910 -4.639 -3.480
66 2HG2 THR 11 2HG2 THR 11 1.941 -6.307 -2.909
67 3HG2 THR 11 3HG2 THR 11 0.408 -5.554 -3.353
68 H LEU 12 H LEU 12 3.381 -3.732 -0.789
69 HA LEU 12 HA LEU 12 4.370 -1.516 -2.408
70 1HB LEU 12 1HB LEU 12 5.686 -3.263 -0.345
71 2HB LEU 12 2HB LEU 12 6.529 -2.025 -1.260
72 HG LEU 12 HG LEU 12 5.253 -0.293 -0.270
73 1HD1 LEU 12 1HD1 LEU 12 3.555 -2.538 0.782
74 2HD1 LEU 12 2HD1 LEU 12 3.524 -0.926 1.498
75 3HD1 LEU 12 3HD1 LEU 12 3.071 -1.149 -0.192
76 1HD2 LEU 12 1HD2 LEU 12 6.243 -2.381 1.657
77 2HD2 LEU 12 2HD2 LEU 12 7.054 -0.912 1.116
78 3HD2 LEU 12 3HD2 LEU 12 5.668 -0.804 2.202
79 H GLN 13 H GLN 13 5.658 -1.754 -4.122
80 HA GLN 13 HA GLN 13 6.371 -4.525 -4.782
81 1HB GLN 13 1HB GLN 13 6.059 -4.098 -7.122
82 2HB GLN 13 2HB GLN 13 4.576 -3.884 -6.208
83 1HG GLN 13 1HG GLN 13 4.717 -1.519 -6.392
84 2HG GLN 13 2HG GLN 13 6.340 -1.615 -7.077
85 2HE2 GLN 13 2HE2 GLN 13 3.633 -3.698 -7.835
86 1HE2 GLN 13 1HE2 GLN 13 3.461 -3.205 -9.482
87 H GLU 14 H GLU 14 8.150 -3.827 -3.609
88 HA GLU 14 HA GLU 14 10.178 -2.628 -3.375
89 1HB GLU 14 1HB GLU 14 10.370 -5.113 -3.956
90 2HB GLU 14 2HB GLU 14 10.869 -4.563 -5.551
91 1HG GLU 14 1HG GLU 14 12.621 -3.168 -4.344
92 2HG GLU 14 2HG GLU 14 12.238 -4.130 -2.917
93 H ASN 15 H ASN 15 11.075 -0.940 -3.950
94 HA ASN 15 HA ASN 15 10.529 0.675 -6.061
95 1HB ASN 15 1HB ASN 15 11.665 1.379 -4.036
96 2HB ASN 15 2HB ASN 15 13.095 0.469 -4.507
97 2HD2 ASN 15 2HD2 ASN 15 12.528 3.354 -4.034
98 1HD2 ASN 15 1HD2 ASN 15 13.142 4.148 -5.423
99 HA PRO 16 HA PRO 16 12.726 -1.661 -9.251
100 1HB PRO 16 1HB PRO 16 11.534 -0.497 -11.368
101 2HB PRO 16 2HB PRO 16 10.719 -1.729 -10.396
102 1HG PRO 16 1HG PRO 16 10.466 1.255 -10.263
103 2HG PRO 16 2HG PRO 16 9.187 0.027 -10.244
104 1HD PRO 16 1HD PRO 16 10.108 1.212 -7.980
105 2HD PRO 16 2HD PRO 16 9.510 -0.457 -8.013
106 H PHE 17 H PHE 17 13.385 1.136 -8.006
107 HA PHE 17 HA PHE 17 15.244 1.933 -10.152
108 1HB PHE 17 1HB PHE 17 14.929 4.137 -8.462
109 2HB PHE 17 2HB PHE 17 14.352 3.989 -10.114
110 HD1 PHE 17 HD1 PHE 17 12.061 2.409 -10.112
111 HD2 PHE 17 HD2 PHE 17 13.439 5.013 -7.050
112 HE1 PHE 17 HE1 PHE 17 9.764 2.641 -9.276
113 HE2 PHE 17 HE2 PHE 17 11.152 5.251 -6.203
114 HZ PHE 17 HZ PHE 17 9.297 4.064 -7.320
115 H PHE 18 H PHE 18 14.565 2.374 -6.736
116 HA PHE 18 HA PHE 18 17.268 2.780 -6.017
117 1HB PHE 18 1HB PHE 18 15.123 3.563 -4.803
118 2HB PHE 18 2HB PHE 18 15.125 1.959 -4.086
119 HD1 PHE 18 HD1 PHE 18 17.521 1.262 -3.121
120 HD2 PHE 18 HD2 PHE 18 16.093 5.235 -3.592
121 HE1 PHE 18 HE1 PHE 18 19.099 2.025 -1.392
122 HE2 PHE 18 HE2 PHE 18 17.669 6.013 -1.869
123 HZ PHE 18 HZ PHE 18 19.174 4.406 -0.765
124 H SER 19 H SER 19 15.329 0.051 -6.571
125 HA SER 19 HA SER 19 16.275 -1.882 -4.859
126 1HB SER 19 1HB SER 19 14.936 -3.115 -6.170
127 2HB SER 19 2HB SER 19 14.920 -1.835 -7.383
128 HG SER 19 HG SER 19 16.725 -2.742 -8.332
129 H GLN 20 H GLN 20 18.451 -1.469 -4.349
130 HA GLN 20 HA GLN 20 20.396 -2.074 -6.478
131 1HB GLN 20 1HB GLN 20 20.563 -0.357 -4.018
132 2HB GLN 20 2HB GLN 20 22.021 -0.997 -4.762
133 1HG GLN 20 1HG GLN 20 19.975 0.685 -6.183
134 2HG GLN 20 2HG GLN 20 21.463 1.301 -5.463
135 2HE2 GLN 20 2HE2 GLN 20 23.014 1.620 -6.883
136 1HE2 GLN 20 1HE2 GLN 20 23.293 0.702 -8.320
137 HA PRO 21 HA PRO 21 21.907 -5.683 -4.469
138 1HB PRO 21 1HB PRO 21 24.642 -4.558 -4.364
139 2HB PRO 21 2HB PRO 21 24.054 -6.002 -5.194
140 1HG PRO 21 1HG PRO 21 24.725 -3.800 -6.555
141 2HG PRO 21 2HG PRO 21 23.357 -4.812 -7.054
142 1HD PRO 21 1HD PRO 21 23.349 -2.202 -5.584
143 2HD PRO 21 2HD PRO 21 22.268 -2.773 -6.874
144 H GLY 22 H GLY 22 20.712 -4.303 -2.607
145 1HA GLY 22 1HA GLY 22 22.522 -3.519 -0.482
146 2HA GLY 22 2HA GLY 22 21.634 -5.004 -0.188
147 H ALA 23 H ALA 23 19.950 -2.750 -2.098
148 HA ALA 23 HA ALA 23 18.187 -2.191 0.162
149 1HB ALA 23 2HB ALA 23 18.376 0.081 0.108
150 2HB ALA 23 3HB ALA 23 20.012 -0.346 -0.392
151 3HB ALA 23 1HB ALA 23 18.812 0.114 -1.600
152 HA PRO 24 HA PRO 24 15.392 -2.907 -3.210
153 1HB PRO 24 1HB PRO 24 13.899 -4.640 -1.837
154 2HB PRO 24 2HB PRO 24 15.528 -5.072 -2.366
155 1HG PRO 24 1HG PRO 24 14.542 -4.506 0.349
156 2HG PRO 24 2HG PRO 24 15.994 -5.381 -0.160
157 1HD PRO 24 1HD PRO 24 15.713 -2.600 0.642
158 2HD PRO 24 2HD PRO 24 17.192 -3.548 0.370
159 H ILE 25 H ILE 25 15.056 -0.473 -2.292
160 HA ILE 25 HA ILE 25 13.091 0.302 -0.640
161 HB ILE 25 HB ILE 25 13.915 1.299 -3.335
162 1HG1 ILE 25 1HG1 ILE 25 15.627 1.184 -1.627
163 2HG1 ILE 25 2HG1 ILE 25 15.182 2.868 -1.890
164 1HG2 ILE 25 1HG2 ILE 25 12.134 2.519 -1.246
165 2HG2 ILE 25 2HG2 ILE 25 13.005 3.488 -2.432
166 3HG2 ILE 25 3HG2 ILE 25 11.795 2.324 -2.964
167 1HD1 ILE 25 1HD1 ILE 25 13.509 2.480 0.030
168 2HD1 ILE 25 2HD1 ILE 25 14.519 1.084 0.400
169 3HD1 ILE 25 3HD1 ILE 25 15.217 2.701 0.407
170 H LEU 26 H LEU 26 10.981 1.499 -1.754
171 HA LEU 26 HA LEU 26 9.477 -0.564 -3.195
172 1HB LEU 26 1HB LEU 26 8.079 0.656 -0.984
173 2HB LEU 26 2HB LEU 26 8.183 -1.037 -1.464
174 HG LEU 26 HG LEU 26 10.607 0.171 -0.397
175 1HD1 LEU 26 1HD1 LEU 26 8.205 0.530 1.009
176 2HD1 LEU 26 2HD1 LEU 26 9.086 -0.754 1.835
177 3HD1 LEU 26 3HD1 LEU 26 9.850 0.813 1.579
178 1HD2 LEU 26 1HD2 LEU 26 9.313 -2.460 -0.542
179 2HD2 LEU 26 2HD2 LEU 26 11.020 -2.027 -0.639
180 3HD2 LEU 26 3HD2 LEU 26 10.231 -2.159 0.933
181 H GLN 27 H GLN 27 7.114 0.136 -2.916
182 HA GLN 27 HA GLN 27 6.223 2.739 -3.133
183 1HB GLN 27 1HB GLN 27 7.545 3.231 -5.004
184 2HB GLN 27 2HB GLN 27 7.246 1.666 -5.744
185 1HG GLN 27 1HG GLN 27 4.732 2.815 -5.544
186 2HG GLN 27 2HG GLN 27 5.792 4.148 -5.998
187 2HE2 GLN 27 2HE2 GLN 27 5.221 0.746 -6.840
188 1HE2 GLN 27 1HE2 GLN 27 5.396 0.964 -8.546
189 H CYS 28 H CYS 28 4.442 1.924 -2.203
190 HA CYS 28 HA CYS 28 3.054 -0.333 -2.583
191 1HB CYS 28 1HB CYS 28 2.536 2.004 -1.247
192 2HB CYS 28 2HB CYS 28 1.240 1.971 -2.434
193 H MET 29 H MET 29 2.426 -1.322 -4.419
194 HA MET 29 HA MET 29 1.188 0.390 -6.492
195 1HB MET 29 1HB MET 29 3.413 -0.536 -7.143
196 2HB MET 29 2HB MET 29 2.725 -2.150 -7.017
197 1HG MET 29 1HG MET 29 2.088 -1.988 -9.126
198 2HG MET 29 2HG MET 29 0.976 -0.706 -8.653
199 1HE MET 29 1HE MET 29 1.937 -1.237 -11.284
200 2HE MET 29 2HE MET 29 2.522 0.271 -11.989
201 3HE MET 29 3HE MET 29 3.660 -1.017 -11.592
202 H GLY 30 H GLY 30 0.831 -2.369 -4.488
203 1HA GLY 30 1HA GLY 30 -1.054 -3.647 -4.111
204 2HA GLY 30 2HA GLY 30 -0.857 -4.050 -5.810
205 H CYS 31 H CYS 31 -3.332 -4.225 -5.148
206 HA CYS 31 HA CYS 31 -4.680 -1.654 -5.429
207 1HB CYS 31 1HB CYS 31 -5.915 -2.250 -7.377
208 2HB CYS 31 2HB CYS 31 -4.227 -2.586 -7.739
209 H CYS 32 H CYS 32 -5.853 -1.742 -3.606
210 HA CYS 32 HA CYS 32 -7.025 -4.197 -2.667
211 1HB CYS 32 1HB CYS 32 -7.419 -3.097 -0.699
212 2HB CYS 32 2HB CYS 32 -6.143 -2.067 -1.338
213 H PHE 33 H PHE 33 -9.084 -4.872 -2.835
214 HA PHE 33 HA PHE 33 -11.071 -3.061 -4.013
215 1HB PHE 33 1HB PHE 33 -11.750 -5.495 -5.101
216 2HB PHE 33 2HB PHE 33 -10.909 -4.203 -5.947
217 HD1 PHE 33 HD1 PHE 33 -9.874 -6.764 -3.433
218 HD2 PHE 33 HD2 PHE 33 -9.227 -5.028 -7.265
219 HE1 PHE 33 HE1 PHE 33 -7.946 -8.255 -3.780
220 HE2 PHE 33 HE2 PHE 33 -7.299 -6.516 -7.618
221 HZ PHE 33 HZ PHE 33 -6.657 -8.132 -5.873
222 H SER 34 H SER 34 -12.982 -3.107 -3.004
223 HA SER 34 HA SER 34 -13.459 -4.223 -0.581
224 1HB SER 34 1HB SER 34 -15.692 -3.607 -0.816
225 2HB SER 34 2HB SER 34 -14.907 -2.591 -2.025
226 HG SER 34 HG SER 34 -16.183 -5.081 -2.516
227 H ARG 35 H ARG 35 -14.665 -6.019 0.199
228 HA ARG 35 HA ARG 35 -14.306 -8.405 -1.452
229 1HB ARG 35 1HB ARG 35 -14.589 -7.895 1.479
230 2HB ARG 35 2HB ARG 35 -15.012 -9.480 0.847
231 1HG ARG 35 1HG ARG 35 -12.874 -10.017 1.034
232 2HG ARG 35 2HG ARG 35 -12.554 -8.911 -0.303
233 1HD ARG 35 1HD ARG 35 -12.128 -8.552 2.608
234 2HD ARG 35 2HD ARG 35 -11.136 -8.035 1.248
235 HE ARG 35 HE ARG 35 -12.551 -6.145 0.978
236 1HH1 ARG 35 1HH1 ARG 35 -13.300 -8.058 3.802
237 2HH1 ARG 35 2HH1 ARG 35 -14.167 -6.781 4.588
238 1HH2 ARG 35 1HH2 ARG 35 -13.694 -4.468 2.014
239 2HH2 ARG 35 2HH2 ARG 35 -14.392 -4.747 3.575
240 H ALA 36 H ALA 36 -15.986 -10.132 -1.228
241 HA ALA 36 HA ALA 36 -18.120 -10.918 -1.395
242 1HB ALA 36 3HB ALA 36 -19.255 -10.164 0.359
243 2HB ALA 36 2HB ALA 36 -18.412 -8.616 0.331
244 3HB ALA 36 1HB ALA 36 -19.837 -8.862 -0.679
245 H TYR 37 H TYR 37 -19.516 -11.054 -3.073
246 HA TYR 37 HA TYR 37 -19.058 -9.501 -5.374
247 1HB TYR 37 1HB TYR 37 -21.573 -11.095 -4.942
248 2HB TYR 37 2HB TYR 37 -20.671 -10.842 -6.433
249 HD1 TYR 37 HD1 TYR 37 -18.007 -11.631 -5.952
250 HD2 TYR 37 HD2 TYR 37 -21.552 -13.310 -4.301
251 HE1 TYR 37 HE1 TYR 37 -16.829 -13.762 -5.602
252 HE2 TYR 37 HE2 TYR 37 -20.382 -15.445 -3.947
253 HH TYR 37 HH TYR 37 -17.095 -15.957 -5.107
254 HA PRO 38 HA PRO 38 -21.778 -6.070 -4.864
255 1HB PRO 38 1HB PRO 38 -22.505 -5.547 -7.408
256 2HB PRO 38 2HB PRO 38 -20.864 -5.265 -6.818
257 1HG PRO 38 1HG PRO 38 -21.936 -7.556 -8.416
258 2HG PRO 38 2HG PRO 38 -20.411 -6.675 -8.610
259 1HD PRO 38 1HD PRO 38 -20.591 -9.092 -7.362
260 2HD PRO 38 2HD PRO 38 -19.361 -7.878 -6.958
261 H THR 39 H THR 39 -23.679 -6.353 -3.880
262 HA THR 39 HA THR 39 -26.038 -6.876 -5.384
263 HB THR 39 HB THR 39 -26.604 -8.876 -3.743
264 HG1 THR 39 HG1 THR 39 -24.104 -8.501 -3.169
265 1HG2 THR 39 1HG2 THR 39 -26.373 -8.884 -6.307
266 2HG2 THR 39 2HG2 THR 39 -24.785 -9.587 -6.001
267 3HG2 THR 39 3HG2 THR 39 -26.238 -10.407 -5.430
268 HA PRO 40 HA PRO 40 -27.818 -4.789 -1.940
269 1HB PRO 40 1HB PRO 40 -30.381 -6.052 -2.189
270 2HB PRO 40 2HB PRO 40 -29.877 -4.483 -2.816
271 1HG PRO 40 1HG PRO 40 -30.498 -6.671 -4.380
272 2HG PRO 40 2HG PRO 40 -29.496 -5.307 -4.901
273 1HD PRO 40 1HD PRO 40 -28.671 -8.018 -3.955
274 2HD PRO 40 2HD PRO 40 -27.959 -6.998 -5.223
275 H LEU 41 H LEU 41 -29.774 -5.418 -0.200
276 HA LEU 41 HA LEU 41 -29.788 -7.935 0.967
277 1HB LEU 41 1HB LEU 41 -27.994 -8.106 2.298
278 2HB LEU 41 2HB LEU 41 -27.295 -6.874 1.266
279 HG LEU 41 HG LEU 41 -28.480 -5.253 3.008
280 1HD1 LEU 41 1HD1 LEU 41 -28.028 -7.811 4.533
281 2HD1 LEU 41 2HD1 LEU 41 -28.212 -6.229 5.290
282 3HD1 LEU 41 3HD1 LEU 41 -29.538 -6.917 4.354
283 1HD2 LEU 41 1HD2 LEU 41 -25.850 -6.681 3.293
284 2HD2 LEU 41 2HD2 LEU 41 -26.162 -5.094 2.591
285 3HD2 LEU 41 3HD2 LEU 41 -26.324 -5.337 4.330
286 H ARG 42 H ARG 42 -29.820 -4.462 1.490
287 HA ARG 42 HA ARG 42 -31.481 -3.164 2.399
288 1HB ARG 42 1HB ARG 42 -32.889 -5.394 1.943
289 2HB ARG 42 2HB ARG 42 -32.885 -5.436 3.702
290 1HG ARG 42 1HG ARG 42 -33.530 -2.794 2.850
291 2HG ARG 42 2HG ARG 42 -34.557 -3.946 1.993
292 1HD ARG 42 1HD ARG 42 -34.610 -4.936 4.532
293 2HD ARG 42 2HD ARG 42 -34.508 -3.202 4.830
294 HE ARG 42 HE ARG 42 -36.709 -4.643 3.595
295 1HH1 ARG 42 1HH1 ARG 42 -35.253 -1.567 4.348
296 2HH1 ARG 42 2HH1 ARG 42 -36.728 -0.679 4.165
297 1HH2 ARG 42 1HH2 ARG 42 -38.654 -3.481 3.352
298 2HH2 ARG 42 2HH2 ARG 42 -38.660 -1.767 3.600
299 H SER 43 H SER 43 -29.672 -2.536 3.717
300 HA SER 43 HA SER 43 -29.929 -1.911 6.202
301 1HB SER 43 1HB SER 43 -30.687 -3.956 7.086
302 2HB SER 43 2HB SER 43 -29.454 -4.884 6.234
303 HG SER 43 HG SER 43 -28.152 -4.571 7.846
304 H LYS 44 H LYS 44 -27.998 -2.534 3.720
305 HA LYS 44 HA LYS 44 -25.470 -3.060 4.273
306 1HB LYS 44 1HB LYS 44 -26.517 -1.851 2.215
307 2HB LYS 44 2HB LYS 44 -25.986 -0.383 3.025
308 1HG LYS 44 1HG LYS 44 -23.705 -1.066 2.933
309 2HG LYS 44 2HG LYS 44 -24.154 -2.677 2.368
310 1HD LYS 44 1HD LYS 44 -25.323 -0.862 0.572
311 2HD LYS 44 2HD LYS 44 -23.681 -0.281 0.856
312 1HE LYS 44 1HE LYS 44 -23.446 -1.752 -0.936
313 2HE LYS 44 2HE LYS 44 -22.966 -2.713 0.460
314 1HZ LYS 44 1HZ LYS 44 -25.450 -3.400 0.448
315 2HZ LYS 44 2HZ LYS 44 -25.409 -2.896 -1.166
316 3HZ LYS 44 3HZ LYS 44 -24.377 -4.129 -0.640
317 H LYS 45 H LYS 45 -23.882 -2.474 5.623
318 HA LYS 45 HA LYS 45 -24.312 -0.880 7.856
319 1HB LYS 45 1HB LYS 45 -21.879 -0.963 8.194
320 2HB LYS 45 2HB LYS 45 -22.516 -2.537 7.739
321 1HG LYS 45 1HG LYS 45 -21.733 -1.092 5.392
322 2HG LYS 45 2HG LYS 45 -20.406 -1.127 6.554
323 1HD LYS 45 1HD LYS 45 -21.465 -3.705 6.592
324 2HD LYS 45 2HD LYS 45 -21.456 -3.243 4.889
325 1HE LYS 45 1HE LYS 45 -19.281 -3.686 4.817
326 2HE LYS 45 2HE LYS 45 -19.007 -2.375 5.965
327 1HZ LYS 45 1HZ LYS 45 -19.893 -4.911 7.082
328 2HZ LYS 45 2HZ LYS 45 -18.326 -4.884 6.448
329 3HZ LYS 45 3HZ LYS 45 -18.760 -3.803 7.674
330 H THR 46 H THR 46 -24.693 1.233 7.944
331 HA THR 46 HA THR 46 -24.731 3.166 6.182
332 HB THR 46 HB THR 46 -25.150 3.651 8.507
333 HG1 THR 46 HG1 THR 46 -24.365 5.681 8.524
334 1HG2 THR 46 1HG2 THR 46 -22.937 2.356 9.193
335 2HG2 THR 46 2HG2 THR 46 -22.303 4.000 9.211
336 3HG2 THR 46 3HG2 THR 46 -23.684 3.575 10.223
337 H MET 47 H MET 47 -23.365 2.917 4.430
338 HA MET 47 HA MET 47 -20.523 2.849 4.695
339 1HB MET 47 1HB MET 47 -22.403 2.400 2.641
340 2HB MET 47 2HB MET 47 -21.355 3.696 2.079
341 1HG MET 47 1HG MET 47 -20.635 1.382 1.461
342 2HG MET 47 2HG MET 47 -19.423 2.356 2.291
343 1HE MET 47 1HE MET 47 -18.075 0.584 2.549
344 2HE MET 47 2HE MET 47 -17.972 -0.161 4.144
345 3HE MET 47 3HE MET 47 -18.663 -1.062 2.795
346 H LEU 48 H LEU 48 -19.018 4.436 4.080
347 HA LEU 48 HA LEU 48 -19.984 7.161 3.683
348 1HB LEU 48 1HB LEU 48 -18.211 7.851 5.460
349 2HB LEU 48 2HB LEU 48 -19.814 7.355 5.969
350 HG LEU 48 HG LEU 48 -18.042 6.403 7.389
351 1HD1 LEU 48 1HD1 LEU 48 -20.267 5.178 6.552
352 2HD1 LEU 48 2HD1 LEU 48 -19.068 4.021 5.973
353 3HD1 LEU 48 3HD1 LEU 48 -19.133 4.444 7.685
354 1HD2 LEU 48 1HD2 LEU 48 -16.313 6.251 5.640
355 2HD2 LEU 48 2HD2 LEU 48 -16.517 4.740 6.525
356 3HD2 LEU 48 3HD2 LEU 48 -17.198 4.914 4.908
357 H VAL 49 H VAL 49 -18.267 8.645 3.015
358 HA VAL 49 HA VAL 49 -15.916 7.262 1.897
359 HB VAL 49 HB VAL 49 -16.369 9.389 0.179
360 1HG1 VAL 49 1HG1 VAL 49 -16.198 6.545 0.103
361 2HG1 VAL 49 2HG1 VAL 49 -17.489 7.066 -0.980
362 3HG1 VAL 49 3HG1 VAL 49 -15.859 7.709 -1.179
363 1HG2 VAL 49 1HG2 VAL 49 -18.705 9.353 1.335
364 2HG2 VAL 49 2HG2 VAL 49 -18.597 9.501 -0.419
365 3HG2 VAL 49 3HG2 VAL 49 -18.983 7.943 0.313
366 H GLN 50 H GLN 50 -14.229 8.964 1.140
367 HA GLN 50 HA GLN 50 -13.117 10.242 3.260
368 1HB GLN 50 1HB GLN 50 -12.969 11.523 0.542
369 2HB GLN 50 2HB GLN 50 -11.721 11.413 1.774
370 1HG GLN 50 1HG GLN 50 -10.906 9.628 0.768
371 2HG GLN 50 2HG GLN 50 -12.417 8.774 1.071
372 2HE2 GLN 50 2HE2 GLN 50 -14.181 10.009 -0.525
373 1HE2 GLN 50 1HE2 GLN 50 -13.732 9.847 -2.186
374 H LYS 51 H LYS 51 -13.293 12.178 4.308
375 HA LYS 51 HA LYS 51 -14.451 13.952 5.183
376 1HB LYS 51 1HB LYS 51 -14.833 14.852 2.336
377 2HB LYS 51 2HB LYS 51 -14.534 15.830 3.766
378 1HG LYS 51 1HG LYS 51 -12.245 14.939 3.875
379 2HG LYS 51 2HG LYS 51 -12.554 14.017 2.401
380 1HD LYS 51 1HD LYS 51 -13.177 16.279 1.357
381 2HD LYS 51 2HD LYS 51 -12.373 16.995 2.755
382 1HE LYS 51 1HE LYS 51 -10.790 16.875 0.968
383 2HE LYS 51 2HE LYS 51 -10.342 15.671 2.173
384 1HZ LYS 51 1HZ LYS 51 -11.925 14.243 0.562
385 2HZ LYS 51 2HZ LYS 51 -11.237 15.311 -0.554
386 3HZ LYS 51 3HZ LYS 51 -10.245 14.328 0.398
387 H ASN 52 H ASN 52 -16.467 15.382 3.318
388 HA ASN 52 HA ASN 52 -18.675 13.462 3.556
389 1HB ASN 52 1HB ASN 52 -18.334 15.937 5.041
390 2HB ASN 52 2HB ASN 52 -19.819 15.952 4.094
391 2HD2 ASN 52 2HD2 ASN 52 -20.512 13.293 4.164
392 1HD2 ASN 52 1HD2 ASN 52 -20.904 12.846 5.786
393 H VAL 53 H VAL 53 -16.954 14.701 1.384
394 HA VAL 53 HA VAL 53 -19.153 15.234 -0.439
395 HB VAL 53 HB VAL 53 -18.131 17.248 -1.378
396 1HG1 VAL 53 1HG1 VAL 53 -19.824 17.319 0.499
397 2HG1 VAL 53 2HG1 VAL 53 -18.474 17.658 1.581
398 3HG1 VAL 53 3HG1 VAL 53 -18.856 18.774 0.270
399 1HG2 VAL 53 1HG2 VAL 53 -15.835 16.444 -0.155
400 2HG2 VAL 53 2HG2 VAL 53 -16.112 18.054 -0.815
401 3HG2 VAL 53 3HG2 VAL 53 -16.361 17.750 0.905
402 H THR 54 H THR 54 -18.426 15.242 -2.719
403 HA THR 54 HA THR 54 -17.482 14.004 -4.399
404 HB THR 54 HB THR 54 -15.181 15.316 -2.987
405 HG1 THR 54 HG1 THR 54 -15.858 15.727 -5.657
406 1HG2 THR 54 1HG2 THR 54 -14.312 13.225 -4.022
407 2HG2 THR 54 2HG2 THR 54 -14.888 13.822 -5.578
408 3HG2 THR 54 3HG2 THR 54 -13.646 14.711 -4.697
409 H SER 55 H SER 55 -18.003 11.892 -4.039
410 HA SER 55 HA SER 55 -16.355 10.304 -2.231
411 1HB SER 55 1HB SER 55 -18.639 9.234 -3.871
412 2HB SER 55 2HB SER 55 -18.024 8.655 -2.322
413 HG SER 55 HG SER 55 -18.746 11.094 -1.853
414 H GLU 56 H GLU 56 -15.319 8.370 -2.896
415 HA GLU 56 HA GLU 56 -14.931 7.983 -5.766
416 1HB GLU 56 1HB GLU 56 -12.692 8.476 -3.797
417 2HB GLU 56 2HB GLU 56 -12.452 7.840 -5.417
418 1HG GLU 56 1HG GLU 56 -13.793 10.011 -6.085
419 2HG GLU 56 2HG GLU 56 -13.171 10.579 -4.537
420 H SER 57 H SER 57 -13.092 6.781 -2.991
421 HA SER 57 HA SER 57 -14.330 4.453 -2.374
422 1HB SER 57 1HB SER 57 -12.975 2.804 -3.851
423 2HB SER 57 2HB SER 57 -14.396 3.580 -4.549
424 HG SER 57 HG SER 57 -12.012 4.952 -4.847
425 H THR 58 H THR 58 -12.558 2.594 -1.888
426 HA THR 58 HA THR 58 -11.000 3.431 0.166
427 HB THR 58 HB THR 58 -9.462 1.410 -0.548
428 HG1 THR 58 HG1 THR 58 -10.665 1.557 -2.712
429 1HG2 THR 58 1HG2 THR 58 -11.702 1.592 1.011
430 2HG2 THR 58 2HG2 THR 58 -12.126 0.319 -0.134
431 3HG2 THR 58 3HG2 THR 58 -10.670 0.172 0.849
432 H CYS 59 H CYS 59 -8.717 3.788 0.445
433 HA CYS 59 HA CYS 59 -7.189 4.532 -1.906
434 1HB CYS 59 1HB CYS 59 -6.645 6.776 -0.944
435 2HB CYS 59 2HB CYS 59 -8.321 6.603 -1.455
436 H CYS 60 H CYS 60 -5.133 4.020 -1.710
437 HA CYS 60 HA CYS 60 -4.155 2.998 0.820
438 1HB CYS 60 1HB CYS 60 -2.873 3.114 -1.916
439 2HB CYS 60 2HB CYS 60 -2.171 2.323 -0.508
440 H VAL 61 H VAL 61 -1.534 3.454 0.749
441 HA VAL 61 HA VAL 61 -0.141 5.569 0.287
442 HB VAL 61 HB VAL 61 -2.413 6.545 1.969
443 1HG1 VAL 61 1HG1 VAL 61 0.433 7.223 2.369
444 2HG1 VAL 61 2HG1 VAL 61 -0.686 8.584 2.274
445 3HG1 VAL 61 3HG1 VAL 61 -0.927 7.326 3.487
446 1HG2 VAL 61 1HG2 VAL 61 -1.817 6.923 -0.607
447 2HG2 VAL 61 2HG2 VAL 61 -2.629 8.146 0.372
448 3HG2 VAL 61 3HG2 VAL 61 -0.892 8.253 0.089
449 H ALA 62 H ALA 62 1.148 3.813 1.062
450 HA ALA 62 HA ALA 62 1.681 2.417 3.085
451 1HB ALA 62 1HB ALA 62 3.714 4.574 3.056
452 2HB ALA 62 3HB ALA 62 3.916 2.823 2.996
453 3HB ALA 62 2HB ALA 62 3.419 3.703 1.551
454 H LYS 63 H LYS 63 0.749 2.349 4.865
455 HA LYS 63 HA LYS 63 -0.056 4.346 6.590
456 1HB LYS 63 1HB LYS 63 1.028 2.090 8.016
457 2HB LYS 63 2HB LYS 63 -0.643 2.599 7.864
458 1HG LYS 63 1HG LYS 63 -0.012 1.438 5.446
459 2HG LYS 63 2HG LYS 63 0.751 0.431 6.669
460 1HD LYS 63 1HD LYS 63 -1.977 1.262 7.329
461 2HD LYS 63 2HD LYS 63 -1.863 0.224 5.908
462 1HE LYS 63 1HE LYS 63 -1.001 -1.550 7.112
463 2HE LYS 63 2HE LYS 63 -0.391 -0.510 8.399
464 1HZ LYS 63 1HZ LYS 63 -2.887 -0.049 8.801
465 2HZ LYS 63 2HZ LYS 63 -3.129 -1.491 7.952
466 3HZ LYS 63 3HZ LYS 63 -2.212 -1.489 9.374
467 H SER 64 H SER 64 2.919 2.552 6.325
468 HA SER 64 HA SER 64 4.239 4.630 7.805
469 1HB SER 64 1HB SER 64 4.488 1.676 8.298
470 2HB SER 64 2HB SER 64 5.714 2.820 8.845
471 HG SER 64 HG SER 64 2.959 2.953 9.516
472 H TYR 65 H TYR 65 6.157 5.276 6.969
473 HA TYR 65 HA TYR 65 7.134 3.750 4.641
474 1HB TYR 65 1HB TYR 65 7.861 6.209 3.962
475 2HB TYR 65 2HB TYR 65 6.278 5.552 3.566
476 HD1 TYR 65 HD1 TYR 65 7.539 6.853 6.814
477 HD2 TYR 65 HD2 TYR 65 4.851 7.396 3.561
478 HE1 TYR 65 HE1 TYR 65 6.469 8.712 8.017
479 HE2 TYR 65 HE2 TYR 65 3.774 9.258 4.754
480 HH TYR 65 HH TYR 65 4.826 10.970 6.836
481 H ASN 66 H ASN 66 9.315 4.214 4.000
482 HA ASN 66 HA ASN 66 11.027 5.162 6.194
483 1HB ASN 66 1HB ASN 66 10.880 2.457 5.285
484 2HB ASN 66 2HB ASN 66 12.448 3.123 4.834
485 2HD2 ASN 66 2HD2 ASN 66 13.797 3.970 6.486
486 1HD2 ASN 66 1HD2 ASN 66 13.645 3.418 8.116
487 H ARG 67 H ARG 67 9.948 6.254 3.932
488 HA ARG 67 HA ARG 67 10.758 6.733 1.623
489 1HB ARG 67 1HB ARG 67 10.108 8.459 3.632
490 2HB ARG 67 2HB ARG 67 11.665 9.077 3.103
491 1HG ARG 67 1HG ARG 67 10.381 8.660 0.732
492 2HG ARG 67 2HG ARG 67 9.059 9.153 1.795
493 1HD ARG 67 1HD ARG 67 11.580 10.721 1.887
494 2HD ARG 67 2HD ARG 67 10.545 10.916 0.476
495 HE ARG 67 HE ARG 67 8.737 11.417 2.180
496 1HH1 ARG 67 1HH1 ARG 67 12.111 12.112 2.752
497 2HH1 ARG 67 2HH1 ARG 67 11.785 13.420 3.838
498 1HH2 ARG 67 1HH2 ARG 67 8.308 13.140 3.601
499 2HH2 ARG 67 2HH2 ARG 67 9.626 14.004 4.321
500 H VAL 68 H VAL 68 12.408 6.662 0.342
501 HA VAL 68 HA VAL 68 15.115 7.145 1.363
502 HB VAL 68 HB VAL 68 16.033 5.240 0.272
503 1HG1 VAL 68 1HG1 VAL 68 14.262 4.974 2.360
504 2HG1 VAL 68 2HG1 VAL 68 13.740 3.729 1.229
505 3HG1 VAL 68 3HG1 VAL 68 15.404 3.750 1.809
506 1HG2 VAL 68 1HG2 VAL 68 13.929 5.513 -1.513
507 2HG2 VAL 68 2HG2 VAL 68 15.163 4.261 -1.531
508 3HG2 VAL 68 3HG2 VAL 68 13.622 3.970 -0.731
509 H THR 69 H THR 69 13.778 9.064 0.084
510 HA THR 69 HA THR 69 13.428 9.489 -2.439
511 HB THR 69 HB THR 69 15.385 11.119 -0.831
512 HG1 THR 69 HG1 THR 69 13.200 10.997 -0.071
513 1HG2 THR 69 1HG2 THR 69 14.839 11.281 -3.589
514 2HG2 THR 69 2HG2 THR 69 14.023 12.635 -2.806
515 3HG2 THR 69 3HG2 THR 69 15.758 12.402 -2.585
516 H VAL 70 H VAL 70 14.229 8.782 -4.256
517 HA VAL 70 HA VAL 70 17.109 8.233 -4.402
518 HB VAL 70 HB VAL 70 15.598 7.087 -6.573
519 1HG1 VAL 70 1HG1 VAL 70 17.575 6.210 -4.528
520 2HG1 VAL 70 2HG1 VAL 70 16.686 4.986 -5.436
521 3HG1 VAL 70 3HG1 VAL 70 17.678 6.169 -6.289
522 1HG2 VAL 70 1HG2 VAL 70 14.704 6.487 -3.771
523 2HG2 VAL 70 2HG2 VAL 70 13.723 6.844 -5.193
524 3HG2 VAL 70 3HG2 VAL 70 14.555 5.295 -5.063
525 H MET 71 H MET 71 17.409 7.888 -7.020
526 HA MET 71 HA MET 71 18.401 9.403 -8.524
527 1HB MET 71 1HB MET 71 15.555 9.550 -9.419
528 2HB MET 71 2HB MET 71 17.010 9.359 -10.388
529 1HG MET 71 1HG MET 71 16.610 7.187 -8.518
530 2HG MET 71 2HG MET 71 15.265 7.384 -9.639
531 1HE MET 71 1HE MET 71 15.595 7.622 -12.217
532 2HE MET 71 2HE MET 71 16.535 6.348 -12.993
533 3HE MET 71 3HE MET 71 15.293 5.932 -11.812
534 H GLY 72 H GLY 72 16.108 11.137 -9.796
535 1HA GLY 72 1HA GLY 72 15.564 13.342 -9.851
536 2HA GLY 72 2HA GLY 72 17.088 13.615 -9.024
537 H GLY 73 H GLY 73 15.252 11.588 -7.144
538 1HA GLY 73 1HA GLY 73 14.004 13.841 -5.707
539 2HA GLY 73 2HA GLY 73 14.954 12.632 -4.855
540 H PHE 74 H PHE 74 13.938 10.478 -6.607
541 HA PHE 74 HA PHE 74 11.130 10.342 -6.415
542 1HB PHE 74 1HB PHE 74 13.311 8.376 -6.972
543 2HB PHE 74 2HB PHE 74 11.695 7.766 -6.621
544 HD1 PHE 74 HD1 PHE 74 9.809 8.342 -8.102
545 HD2 PHE 74 HD2 PHE 74 13.813 9.431 -9.038
546 HE1 PHE 74 HE1 PHE 74 9.151 8.741 -10.438
547 HE2 PHE 74 HE2 PHE 74 13.164 9.833 -11.377
548 HZ PHE 74 HZ PHE 74 10.828 9.487 -12.080
549 H LYS 75 H LYS 75 9.907 10.087 -4.689
550 HA LYS 75 HA LYS 75 11.108 9.067 -2.227
551 1HB LYS 75 1HB LYS 75 8.366 10.133 -2.130
552 2HB LYS 75 2HB LYS 75 9.739 10.453 -1.082
553 1HG LYS 75 1HG LYS 75 10.621 11.781 -3.162
554 2HG LYS 75 2HG LYS 75 8.910 11.811 -3.596
555 1HD LYS 75 1HD LYS 75 9.684 12.542 -0.816
556 2HD LYS 75 2HD LYS 75 9.992 13.706 -2.107
557 1HE LYS 75 1HE LYS 75 7.312 12.398 -1.820
558 2HE LYS 75 2HE LYS 75 7.738 13.803 -0.843
559 1HZ LYS 75 1HZ LYS 75 8.428 14.368 -3.483
560 2HZ LYS 75 2HZ LYS 75 6.864 13.727 -3.513
561 3HZ LYS 75 3HZ LYS 75 7.207 15.080 -2.554
562 H VAL 76 H VAL 76 10.818 7.027 -1.762
563 HA VAL 76 HA VAL 76 8.432 5.608 -2.679
564 HB VAL 76 HB VAL 76 9.758 3.489 -2.047
565 1HG1 VAL 76 1HG1 VAL 76 9.849 4.914 -4.359
566 2HG1 VAL 76 2HG1 VAL 76 11.547 5.010 -3.890
567 3HG1 VAL 76 3HG1 VAL 76 10.778 3.437 -4.094
568 1HG2 VAL 76 1HG2 VAL 76 11.302 5.561 -0.818
569 2HG2 VAL 76 2HG2 VAL 76 11.536 3.820 -0.736
570 3HG2 VAL 76 3HG2 VAL 76 12.322 4.759 -2.006
571 H GLU 77 H GLU 77 9.139 7.351 -0.284
572 HA GLU 77 HA GLU 77 9.036 7.176 2.079
573 1HB GLU 77 1HB GLU 77 6.409 5.999 2.075
574 2HB GLU 77 2HB GLU 77 6.852 7.665 2.417
575 1HG GLU 77 1HG GLU 77 6.900 7.088 -0.421
576 2HG GLU 77 2HG GLU 77 5.332 6.737 0.303
577 H ASN 78 H ASN 78 10.363 5.115 0.981
578 HA ASN 78 HA ASN 78 10.197 2.716 0.787
579 1HB ASN 78 1HB ASN 78 12.261 3.671 1.876
580 2HB ASN 78 2HB ASN 78 11.515 3.259 3.422
581 H HIS 79 H HIS 79 7.946 2.700 1.005
582 HA HIS 79 HA HIS 79 6.360 2.618 3.091
583 1HB HIS 79 1HB HIS 79 6.302 0.719 0.765
584 2HB HIS 79 2HB HIS 79 4.952 0.967 1.879
585 HD1 HIS 79 HD1 HIS 79 4.050 1.767 -0.719
586 HD2 HIS 79 HD2 HIS 79 6.491 4.241 1.526
587 HE1 HIS 79 HE1 HIS 79 3.806 4.078 -1.717
588 H THR 80 H THR 80 6.225 1.750 4.876
589 HA THR 80 HA THR 80 7.452 -0.879 5.349
590 HB THR 80 HB THR 80 7.880 -0.256 7.547
591 HG1 THR 80 HG1 THR 80 6.364 0.689 8.616
592 1HG2 THR 80 1HG2 THR 80 8.273 1.920 5.618
593 2HG2 THR 80 2HG2 THR 80 8.363 2.387 7.315
594 3HG2 THR 80 3HG2 THR 80 9.424 1.125 6.690
595 H ALA 81 H ALA 81 4.475 1.005 5.660
596 HA ALA 81 HA ALA 81 3.011 -1.497 5.913
597 1HB ALA 81 1HB ALA 81 3.354 -0.386 8.197
598 2HB ALA 81 2HB ALA 81 1.698 -0.782 7.734
599 3HB ALA 81 3HB ALA 81 2.277 0.878 7.607
600 H CYS 82 H CYS 82 1.081 -1.429 4.725
601 HA CYS 82 HA CYS 82 0.455 1.163 3.480
602 1HB CYS 82 1HB CYS 82 1.198 -1.357 2.202
603 2HB CYS 82 2HB CYS 82 -0.304 -0.681 1.579
604 H HIS 83 H HIS 83 -1.612 1.755 3.425
605 HA HIS 83 HA HIS 83 -3.617 -0.207 4.321
606 1HB HIS 83 1HB HIS 83 -4.860 1.628 5.313
607 2HB HIS 83 2HB HIS 83 -3.213 1.625 5.935
608 HD1 HIS 83 HD1 HIS 83 -5.687 3.815 4.528
609 HD2 HIS 83 HD2 HIS 83 -1.538 3.629 4.499
610 HE1 HIS 83 HE1 HIS 83 -4.918 6.119 3.876
611 HE2 HIS 83 HE2 HIS 83 -2.404 6.015 4.005
612 H CYS 84 H CYS 84 -5.921 0.938 3.748
613 HA CYS 84 HA CYS 84 -6.131 2.228 1.240
614 1HB CYS 84 1HB CYS 84 -5.328 -0.136 0.613
615 2HB CYS 84 2HB CYS 84 -6.931 -0.675 1.106
616 H SER 85 H SER 85 -7.767 3.459 1.934
617 HA SER 85 HA SER 85 -10.378 2.779 1.881
618 1HB SER 85 1HB SER 85 -10.855 2.647 4.452
619 2HB SER 85 2HB SER 85 -10.359 1.194 3.584
620 HG SER 85 HG SER 85 -8.981 1.197 5.227
621 H THR 86 H THR 86 -11.840 4.340 2.975
622 HA THR 86 HA THR 86 -11.700 6.843 2.505
623 HB THR 86 HB THR 86 -12.311 5.837 5.285
624 HG1 THR 86 HG1 THR 86 -13.608 5.050 3.538
625 1HG2 THR 86 1HG2 THR 86 -11.894 8.358 5.094
626 2HG2 THR 86 2HG2 THR 86 -13.390 8.386 4.160
627 3HG2 THR 86 3HG2 THR 86 -13.401 7.806 5.827
628 H CYS 87 H CYS 87 -10.094 8.244 2.343
629 HA CYS 87 HA CYS 87 -7.810 8.155 4.096
630 1HB CYS 87 1HB CYS 87 -8.568 9.821 1.712
631 2HB CYS 87 2HB CYS 87 -7.167 10.234 2.693
632 H TYR 88 H TYR 88 -7.009 10.660 4.495
633 HA TYR 88 HA TYR 88 -7.181 12.457 5.870
634 1HB TYR 88 1HB TYR 88 -9.531 12.469 4.312
635 2HB TYR 88 2HB TYR 88 -10.036 12.820 5.961
636 HD1 TYR 88 HD1 TYR 88 -7.110 14.127 6.450
637 HD2 TYR 88 HD2 TYR 88 -10.310 14.747 3.713
638 HE1 TYR 88 HE1 TYR 88 -6.406 16.465 6.161
639 HE2 TYR 88 HE2 TYR 88 -9.612 17.086 3.418
640 HH TYR 88 HH TYR 88 -8.244 18.699 4.106
641 H TYR 89 H TYR 89 -8.459 13.283 7.903
642 HA TYR 89 HA TYR 89 -8.959 12.914 10.089
643 1HB TYR 89 1HB TYR 89 -11.088 12.163 9.449
644 2HB TYR 89 2HB TYR 89 -10.452 10.684 8.735
645 HD1 TYR 89 HD1 TYR 89 -10.253 12.309 12.102
646 HD2 TYR 89 HD2 TYR 89 -11.113 8.797 9.865
647 HE1 TYR 89 HE1 TYR 89 -10.738 11.106 14.191
648 HE2 TYR 89 HE2 TYR 89 -11.603 7.582 11.945
649 HH TYR 89 HH TYR 89 -12.394 8.318 14.365
650 H HIS 90 H HIS 90 -7.665 12.253 11.683
651 HA HIS 90 HA HIS 90 -6.182 11.029 12.904
652 1HB HIS 90 1HB HIS 90 -7.675 9.188 12.961
653 2HB HIS 90 2HB HIS 90 -7.413 8.820 11.260
654 HD1 HIS 90 HD1 HIS 90 -5.083 9.073 14.272
655 HD2 HIS 90 HD2 HIS 90 -5.963 6.558 11.082
656 HE1 HIS 90 HE1 HIS 90 -3.489 7.138 14.479
657 HE2 HIS 90 HE2 HIS 90 -4.024 5.639 12.526
658 H LYS 91 H LYS 91 -4.922 12.507 11.255
659 HA LYS 91 HA LYS 91 -3.499 11.448 9.122
660 1HB LYS 91 1HB LYS 91 -3.235 13.771 10.911
661 2HB LYS 91 2HB LYS 91 -1.735 13.256 10.150
662 1HG LYS 91 1HG LYS 91 -2.347 14.461 8.392
663 2HG LYS 91 2HG LYS 91 -3.583 13.239 8.087
664 1HD LYS 91 1HD LYS 91 -4.569 15.465 8.134
665 2HD LYS 91 2HD LYS 91 -5.160 14.492 9.484
666 1HE LYS 91 1HE LYS 91 -4.250 15.854 11.014
667 2HE LYS 91 2HE LYS 91 -2.750 16.025 10.103
668 1HZ LYS 91 1HZ LYS 91 -5.039 17.362 8.947
669 2HZ LYS 91 2HZ LYS 91 -4.539 17.984 10.438
670 3HZ LYS 91 3HZ LYS 91 -3.452 17.910 9.145
671 H SER 92 H SER 92 -2.201 11.989 12.398
672 HA SER 92 HA SER 92 -0.441 9.666 11.966
673 1HB SER 92 1HB SER 92 0.190 12.389 12.716
674 2HB SER 92 2HB SER 92 0.731 11.258 13.957
675 HG SER 92 HG SER 92 1.747 11.716 11.491
No H/Q in entry = 675
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