Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
5183 | 1gjz RC | 5101 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY -1 H1 GLY -1 5.543 -2.717 -13.721
2 H2 GLY -1 H2 GLY -1 6.640 -2.305 -14.940
3 H3 GLY -1 H3 GLY -1 5.905 -1.092 -14.018
4 1HA GLY -1 1HA GLY -1 5.006 -2.273 -16.409
5 2HA GLY -1 2HA GLY -1 4.307 -0.929 -15.518
6 H SER 0 H SER 0 4.702 -4.335 -14.594
7 HA SER 0 HA SER 0 2.048 -5.121 -15.049
8 1HB SER 0 1HB SER 0 4.044 -6.219 -13.053
9 2HB SER 0 2HB SER 0 2.563 -7.029 -13.563
10 HG SER 0 HG SER 0 3.592 -6.631 -15.788
11 H MET 1 H MET 1 3.639 -3.900 -12.125
12 HA MET 1 HA MET 1 1.237 -2.722 -11.161
13 1HB MET 1 1HB MET 1 0.727 -5.035 -10.574
14 2HB MET 1 2HB MET 1 2.261 -5.183 -9.733
15 1HG MET 1 1HG MET 1 0.398 -4.896 -8.191
16 2HG MET 1 2HG MET 1 1.550 -3.570 -8.079
17 1HE MET 1 1HE MET 1 -0.420 -3.089 -6.618
18 2HE MET 1 2HE MET 1 -0.743 -1.422 -7.096
19 3HE MET 1 3HE MET 1 -2.035 -2.623 -7.155
20 H GLN 2 H GLN 2 3.510 -1.463 -11.663
21 HA GLN 2 HA GLN 2 5.440 -1.379 -9.633
22 1HB GLN 2 1HB GLN 2 6.018 0.849 -10.565
23 2HB GLN 2 2HB GLN 2 5.889 -0.403 -11.790
24 1HG GLN 2 1HG GLN 2 3.641 0.403 -12.354
25 2HG GLN 2 2HG GLN 2 3.813 1.680 -11.153
26 1HE2 GLN 2 2HE2 GLN 2 4.290 3.561 -12.002
27 2HE2 GLN 2 1HE2 GLN 2 5.260 3.836 -13.403
28 H ILE 3 H ILE 3 5.040 -1.008 -7.597
29 HA ILE 3 HA ILE 3 2.826 0.475 -6.612
30 HB ILE 3 HB ILE 3 3.876 0.125 -4.398
31 1HG1 ILE 3 1HG1 ILE 3 6.074 -1.228 -5.968
32 2HG1 ILE 3 2HG1 ILE 3 6.228 0.317 -5.144
33 1HG2 ILE 3 1HG2 ILE 3 2.461 -1.597 -5.585
34 2HG2 ILE 3 2HG2 ILE 3 3.967 -2.417 -5.993
35 3HG2 ILE 3 3HG2 ILE 3 3.510 -2.205 -4.304
36 1HD1 ILE 3 1HD1 ILE 3 5.271 -1.536 -3.251
37 2HD1 ILE 3 2HD1 ILE 3 6.602 -2.304 -4.117
38 3HD1 ILE 3 3HD1 ILE 3 6.849 -0.752 -3.318
39 H PHE 4 H PHE 4 2.801 2.471 -5.577
40 HA PHE 4 HA PHE 4 4.900 4.300 -6.412
41 1HB PHE 4 1HB PHE 4 2.244 4.772 -5.039
42 2HB PHE 4 2HB PHE 4 3.372 6.051 -5.464
43 HD1 PHE 4 HD1 PHE 4 2.638 7.278 -7.240
44 HD2 PHE 4 HD2 PHE 4 2.009 3.069 -7.264
45 HE1 PHE 4 HE1 PHE 4 1.615 7.448 -9.471
46 HE2 PHE 4 HE2 PHE 4 0.988 3.230 -9.496
47 HZ PHE 4 HZ PHE 4 0.790 5.422 -10.603
48 H VAL 5 H VAL 5 6.443 5.075 -5.101
49 HA VAL 5 HA VAL 5 6.111 4.895 -2.202
50 HB VAL 5 HB VAL 5 8.484 3.713 -3.655
51 1HG1 VAL 5 1HG1 VAL 5 5.975 2.573 -2.871
52 2HG1 VAL 5 2HG1 VAL 5 7.326 1.821 -3.719
53 3HG1 VAL 5 3HG1 VAL 5 7.285 1.826 -1.956
54 1HG2 VAL 5 1HG2 VAL 5 8.037 4.515 -0.865
55 2HG2 VAL 5 2HG2 VAL 5 8.711 2.900 -1.082
56 3HG2 VAL 5 3HG2 VAL 5 9.541 4.300 -1.761
57 H LYS 6 H LYS 6 7.486 6.272 -1.017
58 HA LYS 6 HA LYS 6 8.880 8.297 -2.639
59 1HB LYS 6 1HB LYS 6 6.824 9.197 -1.643
60 2HB LYS 6 2HB LYS 6 7.372 8.700 -0.048
61 1HG LYS 6 1HG LYS 6 9.253 10.245 -0.204
62 2HG LYS 6 2HG LYS 6 8.717 10.738 -1.811
63 1HD LYS 6 1HD LYS 6 7.125 11.049 0.733
64 2HD LYS 6 2HD LYS 6 8.029 12.334 -0.070
65 1HE LYS 6 1HE LYS 6 6.624 12.081 -2.055
66 2HE LYS 6 2HE LYS 6 5.724 10.794 -1.257
67 1HZ LYS 6 1HZ LYS 6 5.808 13.138 0.348
68 2HZ LYS 6 2HZ LYS 6 5.169 13.483 -1.179
69 3HZ LYS 6 3HZ LYS 6 4.468 12.278 -0.220
70 H THR 7 H THR 7 10.995 8.256 -2.330
71 HA THR 7 HA THR 7 12.227 6.783 -0.244
72 HB THR 7 HB THR 7 14.352 7.698 -1.089
73 HG1 THR 7 HG1 THR 7 13.571 9.801 -1.645
74 1HG2 THR 7 1HG2 THR 7 12.466 6.147 -2.541
75 2HG2 THR 7 2HG2 THR 7 13.327 7.171 -3.690
76 3HG2 THR 7 3HG2 THR 7 14.226 6.091 -2.624
77 H LEU 8 H LEU 8 13.585 7.544 1.438
78 HA LEU 8 HA LEU 8 12.527 9.465 3.096
79 1HB LEU 8 1HB LEU 8 15.459 8.788 2.972
80 2HB LEU 8 2HB LEU 8 14.565 9.367 4.363
81 HG LEU 8 HG LEU 8 14.444 6.639 3.093
82 1HD1 LEU 8 1HD1 LEU 8 16.241 7.102 4.717
83 2HD1 LEU 8 2HD1 LEU 8 15.015 7.520 5.914
84 3HD1 LEU 8 3HD1 LEU 8 15.104 5.877 5.280
85 1HD2 LEU 8 1HD2 LEU 8 12.444 8.030 4.769
86 2HD2 LEU 8 2HD2 LEU 8 12.232 6.775 3.547
87 3HD2 LEU 8 3HD2 LEU 8 12.807 6.350 5.159
88 H THR 9 H THR 9 14.972 9.834 0.588
89 HA THR 9 HA THR 9 15.710 12.491 1.212
90 HB THR 9 HB THR 9 16.658 12.579 -1.058
91 HG1 THR 9 HG1 THR 9 16.427 10.585 -2.324
92 1HG2 THR 9 1HG2 THR 9 17.808 11.381 0.844
93 2HG2 THR 9 2HG2 THR 9 17.202 9.874 0.155
94 3HG2 THR 9 3HG2 THR 9 18.307 10.887 -0.775
95 H GLY 10 H GLY 10 13.337 11.144 -1.077
96 1HA GLY 10 1HA GLY 10 12.410 13.868 -1.657
97 2HA GLY 10 2HA GLY 10 11.275 12.748 -0.927
98 H LYS 11 H LYS 11 13.708 12.058 -3.406
99 HA LYS 11 HA LYS 11 12.169 12.265 -5.681
100 1HB LYS 11 1HB LYS 11 13.738 10.796 -6.760
101 2HB LYS 11 2HB LYS 11 14.615 11.809 -5.625
102 1HG LYS 11 1HG LYS 11 14.763 10.006 -4.044
103 2HG LYS 11 2HG LYS 11 13.741 8.987 -5.058
104 1HD LYS 11 1HD LYS 11 15.455 9.110 -6.837
105 2HD LYS 11 2HD LYS 11 16.487 10.021 -5.734
106 1HE LYS 11 1HE LYS 11 17.152 7.705 -5.713
107 2HE LYS 11 2HE LYS 11 16.427 8.118 -4.161
108 1HZ LYS 11 1HZ LYS 11 15.026 6.726 -6.379
109 2HZ LYS 11 2HZ LYS 11 15.660 5.972 -5.004
110 3HZ LYS 11 3HZ LYS 11 14.382 7.070 -4.852
111 H THR 12 H THR 12 10.746 11.011 -6.776
112 HA THR 12 HA THR 12 9.269 9.050 -5.307
113 HB THR 12 HB THR 12 9.065 9.769 -8.238
114 HG1 THR 12 HG1 THR 12 7.758 11.372 -7.623
115 1HG2 THR 12 1HG2 THR 12 7.866 7.686 -6.801
116 2HG2 THR 12 2HG2 THR 12 6.623 8.925 -6.966
117 3HG2 THR 12 3HG2 THR 12 7.417 8.276 -8.401
118 H ILE 13 H ILE 13 9.050 6.839 -5.752
119 HA ILE 13 HA ILE 13 11.056 5.671 -7.552
120 HB ILE 13 HB ILE 13 12.126 5.403 -5.490
121 1HG1 ILE 13 1HG1 ILE 13 10.541 2.912 -6.117
122 2HG1 ILE 13 2HG1 ILE 13 12.159 3.323 -6.681
123 1HG2 ILE 13 1HG2 ILE 13 9.570 5.650 -4.407
124 2HG2 ILE 13 2HG2 ILE 13 10.141 4.062 -3.893
125 3HG2 ILE 13 3HG2 ILE 13 11.092 5.505 -3.528
126 1HD1 ILE 13 1HD1 ILE 13 11.437 2.799 -3.808
127 2HD1 ILE 13 2HD1 ILE 13 12.126 1.604 -4.909
128 3HD1 ILE 13 3HD1 ILE 13 13.054 3.038 -4.473
129 H THR 14 H THR 14 10.378 4.046 -8.753
130 HA THR 14 HA THR 14 7.679 2.974 -8.276
131 HB THR 14 HB THR 14 8.101 2.141 -10.754
132 HG1 THR 14 HG1 THR 14 9.303 4.537 -11.248
133 1HG2 THR 14 1HG2 THR 14 6.650 4.189 -9.559
134 2HG2 THR 14 2HG2 THR 14 7.471 4.961 -10.920
135 3HG2 THR 14 3HG2 THR 14 6.439 3.556 -11.193
136 H LEU 15 H LEU 15 7.321 0.767 -8.315
137 HA LEU 15 HA LEU 15 9.531 -1.056 -8.741
138 1HB LEU 15 1HB LEU 15 9.893 -0.254 -6.457
139 2HB LEU 15 2HB LEU 15 8.254 -0.678 -6.024
140 HG LEU 15 HG LEU 15 10.390 -2.670 -6.799
141 1HD1 LEU 15 1HD1 LEU 15 9.331 -1.860 -4.095
142 2HD1 LEU 15 2HD1 LEU 15 10.412 -3.221 -4.400
143 3HD1 LEU 15 3HD1 LEU 15 10.958 -1.574 -4.713
144 1HD2 LEU 15 1HD2 LEU 15 7.546 -2.917 -5.908
145 2HD2 LEU 15 2HD2 LEU 15 8.373 -3.720 -7.244
146 3HD2 LEU 15 3HD2 LEU 15 8.716 -4.197 -5.580
147 H GLU 16 H GLU 16 8.586 -2.565 -9.974
148 HA GLU 16 HA GLU 16 5.766 -3.092 -9.817
149 1HB GLU 16 1HB GLU 16 6.163 -4.627 -11.685
150 2HB GLU 16 2HB GLU 16 6.876 -3.049 -11.982
151 1HG GLU 16 1HG GLU 16 9.071 -3.929 -11.348
152 2HG GLU 16 2HG GLU 16 8.349 -5.514 -11.082
153 H VAL 17 H VAL 17 4.736 -4.799 -8.993
154 HA VAL 17 HA VAL 17 6.074 -7.220 -8.198
155 HB VAL 17 HB VAL 17 5.107 -7.020 -5.816
156 1HG1 VAL 17 1HG1 VAL 17 7.562 -5.546 -6.731
157 2HG1 VAL 17 2HG1 VAL 17 7.177 -5.811 -5.031
158 3HG1 VAL 17 3HG1 VAL 17 7.449 -7.188 -6.100
159 1HG2 VAL 17 1HG2 VAL 17 4.556 -4.397 -6.855
160 2HG2 VAL 17 2HG2 VAL 17 4.046 -5.132 -5.335
161 3HG2 VAL 17 3HG2 VAL 17 5.598 -4.299 -5.434
162 H GLU 18 H GLU 18 4.656 -8.917 -7.938
163 HA GLU 18 HA GLU 18 2.153 -8.697 -9.187
164 1HB GLU 18 1HB GLU 18 3.126 -10.904 -7.368
165 2HB GLU 18 2HB GLU 18 1.824 -11.021 -8.542
166 1HG GLU 18 1HG GLU 18 3.412 -10.638 -10.351
167 2HG GLU 18 2HG GLU 18 4.719 -10.507 -9.175
168 HA PRO 19 HA PRO 19 -0.462 -7.077 -5.993
169 1HB PRO 19 1HB PRO 19 -2.770 -8.388 -6.845
170 2HB PRO 19 2HB PRO 19 -2.213 -6.817 -7.416
171 1HG PRO 19 1HG PRO 19 -1.908 -9.502 -8.665
172 2HG PRO 19 2HG PRO 19 -2.184 -7.930 -9.434
173 1HD PRO 19 1HD PRO 19 0.230 -9.092 -9.451
174 2HD PRO 19 2HD PRO 19 0.055 -7.332 -9.302
175 H SER 20 H SER 20 -0.639 -10.487 -6.875
176 HA SER 20 HA SER 20 -1.903 -11.401 -4.534
177 1HB SER 20 1HB SER 20 -1.830 -12.712 -6.597
178 2HB SER 20 2HB SER 20 -0.081 -12.870 -6.451
179 HG SER 20 HG SER 20 -0.357 -14.426 -5.067
180 H ASP 21 H ASP 21 1.438 -10.744 -5.325
181 HA ASP 21 HA ASP 21 2.767 -12.163 -3.364
182 1HB ASP 21 1HB ASP 21 3.370 -9.440 -4.533
183 2HB ASP 21 2HB ASP 21 4.479 -10.311 -3.481
184 H THR 22 H THR 22 3.089 -11.965 -1.226
185 HA THR 22 HA THR 22 1.271 -10.620 0.385
186 HB THR 22 HB THR 22 2.775 -11.128 2.274
187 HG1 THR 22 HG1 THR 22 4.628 -12.565 0.995
188 1HG2 THR 22 1HG2 THR 22 1.270 -12.845 1.197
189 2HG2 THR 22 2HG2 THR 22 2.698 -13.448 0.353
190 3HG2 THR 22 3HG2 THR 22 2.629 -13.494 2.116
191 H ILE 23 H ILE 23 1.314 -8.769 1.593
192 HA ILE 23 HA ILE 23 2.547 -6.506 0.533
193 HB ILE 23 HB ILE 23 1.491 -6.892 3.337
194 1HG1 ILE 23 1HG1 ILE 23 0.171 -5.808 0.838
195 2HG1 ILE 23 2HG1 ILE 23 -0.190 -7.348 1.611
196 1HG2 ILE 23 1HG2 ILE 23 3.018 -4.942 3.038
197 2HG2 ILE 23 2HG2 ILE 23 1.894 -4.315 1.832
198 3HG2 ILE 23 3HG2 ILE 23 1.374 -4.510 3.505
199 1HD1 ILE 23 1HD1 ILE 23 -0.438 -4.949 3.304
200 2HD1 ILE 23 2HD1 ILE 23 -1.620 -5.132 2.008
201 3HD1 ILE 23 3HD1 ILE 23 -1.442 -6.397 3.223
202 H GLU 24 H GLU 24 3.467 -8.493 3.328
203 HA GLU 24 HA GLU 24 5.607 -6.956 4.237
204 1HB GLU 24 1HB GLU 24 6.450 -9.062 5.244
205 2HB GLU 24 2HB GLU 24 4.744 -8.784 5.559
206 1HG GLU 24 1HG GLU 24 4.152 -10.365 3.802
207 2HG GLU 24 2HG GLU 24 5.861 -10.634 3.463
208 H ASN 25 H ASN 25 5.494 -9.471 1.755
209 HA ASN 25 HA ASN 25 8.273 -9.548 1.245
210 1HB ASN 25 1HB ASN 25 6.802 -11.352 0.524
211 2HB ASN 25 2HB ASN 25 5.936 -10.254 -0.544
212 1HD2 ASN 25 2HD2 ASN 25 6.431 -10.564 -2.572
213 2HD2 ASN 25 1HD2 ASN 25 7.988 -10.977 -3.197
214 H VAL 26 H VAL 26 5.615 -7.713 -0.207
215 HA VAL 26 HA VAL 26 7.048 -6.494 -2.279
216 HB VAL 26 HB VAL 26 4.722 -5.337 -0.731
217 1HG1 VAL 26 1HG1 VAL 26 6.037 -3.765 -2.193
218 2HG1 VAL 26 2HG1 VAL 26 5.541 -4.755 -3.563
219 3HG1 VAL 26 3HG1 VAL 26 4.327 -3.926 -2.590
220 1HG2 VAL 26 1HG2 VAL 26 4.811 -7.656 -2.269
221 2HG2 VAL 26 2HG2 VAL 26 3.374 -6.776 -1.750
222 3HG2 VAL 26 3HG2 VAL 26 4.099 -6.432 -3.319
223 H LYS 27 H LYS 27 6.371 -5.324 1.014
224 HA LYS 27 HA LYS 27 7.788 -2.906 0.797
225 1HB LYS 27 1HB LYS 27 6.991 -4.604 3.150
226 2HB LYS 27 2HB LYS 27 7.897 -3.114 3.355
227 1HG LYS 27 1HG LYS 27 6.103 -1.846 2.337
228 2HG LYS 27 2HG LYS 27 5.199 -3.329 2.030
229 1HD LYS 27 1HD LYS 27 4.920 -3.728 4.369
230 2HD LYS 27 2HD LYS 27 6.044 -2.431 4.780
231 1HE LYS 27 1HE LYS 27 3.683 -1.797 5.110
232 2HE LYS 27 2HE LYS 27 4.514 -0.774 3.941
233 1HZ LYS 27 1HZ LYS 27 3.365 -2.904 2.553
234 2HZ LYS 27 2HZ LYS 27 2.180 -2.275 3.582
235 3HZ LYS 27 3HZ LYS 27 2.961 -1.264 2.473
236 H ALA 28 H ALA 28 8.773 -6.139 1.802
237 HA ALA 28 HA ALA 28 11.300 -5.570 2.807
238 1HB ALA 28 1HB ALA 28 11.273 -8.049 1.311
239 2HB ALA 28 2HB ALA 28 11.423 -7.777 3.047
240 3HB ALA 28 3HB ALA 28 9.826 -7.859 2.302
241 H LYS 29 H LYS 29 10.231 -5.940 -0.524
242 HA LYS 29 HA LYS 29 12.796 -6.051 -1.707
243 1HB LYS 29 1HB LYS 29 10.779 -6.747 -2.911
244 2HB LYS 29 2HB LYS 29 10.157 -5.103 -2.855
245 1HG LYS 29 1HG LYS 29 11.919 -4.328 -4.290
246 2HG LYS 29 2HG LYS 29 12.697 -5.913 -4.253
247 1HD LYS 29 1HD LYS 29 9.959 -5.331 -5.380
248 2HD LYS 29 2HD LYS 29 11.428 -5.553 -6.328
249 1HE LYS 29 1HE LYS 29 10.150 -7.607 -4.527
250 2HE LYS 29 2HE LYS 29 10.091 -7.593 -6.289
251 1HZ LYS 29 1HZ LYS 29 12.532 -7.787 -6.291
252 2HZ LYS 29 2HZ LYS 29 12.513 -7.927 -4.605
253 3HZ LYS 29 3HZ LYS 29 11.774 -9.112 -5.559
254 H ILE 30 H ILE 30 10.667 -3.422 -0.757
255 HA ILE 30 HA ILE 30 11.955 -1.297 -2.022
256 HB ILE 30 HB ILE 30 10.714 -1.208 0.733
257 1HG1 ILE 30 1HG1 ILE 30 9.406 -0.835 -1.973
258 2HG1 ILE 30 2HG1 ILE 30 9.188 -2.231 -0.921
259 1HG2 ILE 30 1HG2 ILE 30 12.120 0.745 -0.236
260 2HG2 ILE 30 2HG2 ILE 30 10.717 1.018 -1.270
261 3HG2 ILE 30 3HG2 ILE 30 10.549 1.092 0.485
262 1HD1 ILE 30 1HD1 ILE 30 8.581 0.016 0.637
263 2HD1 ILE 30 2HD1 ILE 30 7.803 0.266 -0.927
264 3HD1 ILE 30 3HD1 ILE 30 7.471 -1.198 0.000
265 H GLN 31 H GLN 31 12.787 -3.159 0.811
266 HA GLN 31 HA GLN 31 14.754 -1.481 1.931
267 1HB GLN 31 1HB GLN 31 14.697 -4.510 1.878
268 2HB GLN 31 2HB GLN 31 15.613 -3.509 2.995
269 1HG GLN 31 1HG GLN 31 13.590 -2.705 4.010
270 2HG GLN 31 2HG GLN 31 12.613 -3.564 2.822
271 1HE2 GLN 31 2HE2 GLN 31 13.959 -3.692 5.849
272 2HE2 GLN 31 1HE2 GLN 31 13.795 -5.383 6.155
273 H ASP 32 H ASP 32 14.958 -4.207 -0.309
274 HA ASP 32 HA ASP 32 17.691 -4.032 -0.865
275 1HB ASP 32 1HB ASP 32 16.302 -5.983 -1.472
276 2HB ASP 32 2HB ASP 32 15.470 -5.003 -2.676
277 H LYS 33 H LYS 33 14.900 -2.407 -2.127
278 HA LYS 33 HA LYS 33 16.081 -1.163 -4.361
279 1HB LYS 33 1HB LYS 33 13.635 -0.568 -2.709
280 2HB LYS 33 2HB LYS 33 14.094 0.433 -4.084
281 1HG LYS 33 1HG LYS 33 13.518 -2.521 -4.184
282 2HG LYS 33 2HG LYS 33 12.406 -1.239 -4.667
283 1HD LYS 33 1HD LYS 33 13.987 -0.516 -6.390
284 2HD LYS 33 2HD LYS 33 15.099 -1.798 -5.908
285 1HE LYS 33 1HE LYS 33 12.311 -2.194 -6.987
286 2HE LYS 33 2HE LYS 33 13.807 -2.420 -7.892
287 1HZ LYS 33 1HZ LYS 33 13.484 -3.901 -5.390
288 2HZ LYS 33 2HZ LYS 33 12.591 -4.418 -6.732
289 3HZ LYS 33 3HZ LYS 33 14.279 -4.348 -6.814
290 H GLU 34 H GLU 34 15.904 -0.297 -0.962
291 HA GLU 34 HA GLU 34 17.801 1.870 -1.480
292 1HB GLU 34 1HB GLU 34 15.283 2.199 0.160
293 2HB GLU 34 2HB GLU 34 16.576 3.382 0.048
294 1HG GLU 34 1HG GLU 34 14.894 2.430 -2.256
295 2HG GLU 34 2HG GLU 34 14.657 3.934 -1.371
296 H GLY 35 H GLY 35 15.957 0.744 1.368
297 1HA GLY 35 1HA GLY 35 18.499 0.555 2.821
298 2HA GLY 35 2HA GLY 35 17.486 -0.876 2.735
299 H ILE 36 H ILE 36 15.003 -0.060 3.192
300 HA ILE 36 HA ILE 36 15.157 1.048 5.891
301 HB ILE 36 HB ILE 36 12.763 2.037 5.100
302 1HG1 ILE 36 1HG1 ILE 36 13.132 3.230 2.952
303 2HG1 ILE 36 2HG1 ILE 36 14.637 2.344 2.739
304 1HG2 ILE 36 1HG2 ILE 36 15.398 3.064 5.677
305 2HG2 ILE 36 2HG2 ILE 36 14.520 4.118 4.567
306 3HG2 ILE 36 3HG2 ILE 36 13.814 3.695 6.128
307 1HD1 ILE 36 1HD1 ILE 36 13.217 0.238 2.841
308 2HD1 ILE 36 2HD1 ILE 36 11.832 1.309 2.631
309 3HD1 ILE 36 3HD1 ILE 36 13.089 1.242 1.396
310 HA PRO 37 HA PRO 37 12.917 -2.623 7.043
311 1HB PRO 37 1HB PRO 37 11.756 -0.602 8.925
312 2HB PRO 37 2HB PRO 37 12.312 -2.247 9.258
313 1HG PRO 37 1HG PRO 37 13.841 -0.170 9.877
314 2HG PRO 37 2HG PRO 37 14.559 -1.634 9.181
315 1HD PRO 37 1HD PRO 37 14.078 1.017 7.931
316 2HD PRO 37 2HD PRO 37 15.342 -0.178 7.593
317 HA PRO 38 HA PRO 38 9.117 -2.188 4.773
318 1HB PRO 38 1HB PRO 38 7.772 -4.285 6.007
319 2HB PRO 38 2HB PRO 38 8.840 -4.431 4.610
320 1HG PRO 38 1HG PRO 38 9.388 -4.971 7.485
321 2HG PRO 38 2HG PRO 38 9.998 -5.804 6.045
322 1HD PRO 38 1HD PRO 38 11.512 -4.082 7.459
323 2HD PRO 38 2HD PRO 38 11.670 -4.256 5.700
324 H ASP 39 H ASP 39 9.041 -2.549 8.293
325 HA ASP 39 HA ASP 39 6.388 -1.783 8.724
326 1HB ASP 39 1HB ASP 39 8.796 -1.376 10.510
327 2HB ASP 39 2HB ASP 39 7.117 -1.241 11.025
328 H GLN 40 H GLN 40 9.320 0.128 8.336
329 HA GLN 40 HA GLN 40 8.301 2.605 9.121
330 1HB GLN 40 1HB GLN 40 10.472 1.910 7.149
331 2HB GLN 40 2HB GLN 40 10.143 3.545 7.701
332 1HG GLN 40 1HG GLN 40 10.772 3.028 9.917
333 2HG GLN 40 2HG GLN 40 10.784 1.297 9.582
334 1HE2 GLN 40 2HE2 GLN 40 12.032 2.507 6.892
335 2HE2 GLN 40 1HE2 GLN 40 13.712 2.519 7.283
336 H GLN 41 H GLN 41 8.374 1.075 5.911
337 HA GLN 41 HA GLN 41 7.386 3.185 4.407
338 1HB GLN 41 1HB GLN 41 7.008 0.211 4.088
339 2HB GLN 41 2HB GLN 41 6.415 1.370 2.910
340 1HG GLN 41 1HG GLN 41 8.506 0.480 2.165
341 2HG GLN 41 2HG GLN 41 8.717 2.178 2.584
342 1HE2 GLN 41 2HE2 GLN 41 9.883 -0.923 2.978
343 2HE2 GLN 41 1HE2 GLN 41 10.963 -0.634 4.294
344 H ARG 42 H ARG 42 5.515 4.233 4.365
345 HA ARG 42 HA ARG 42 3.343 3.322 6.015
346 1HB ARG 42 1HB ARG 42 3.654 5.827 4.370
347 2HB ARG 42 2HB ARG 42 2.303 5.493 5.445
348 1HG ARG 42 1HG ARG 42 3.844 5.428 7.349
349 2HG ARG 42 2HG ARG 42 5.187 5.788 6.265
350 1HD ARG 42 1HD ARG 42 4.142 7.913 5.665
351 2HD ARG 42 2HD ARG 42 2.788 7.553 6.735
352 HE ARG 42 HE ARG 42 5.236 8.703 7.490
353 1HH1 ARG 42 1HH1 ARG 42 2.952 6.300 8.569
354 2HH1 ARG 42 2HH1 ARG 42 3.356 6.485 10.243
355 1HH2 ARG 42 1HH2 ARG 42 5.770 8.952 9.690
356 2HH2 ARG 42 2HH2 ARG 42 4.956 7.993 10.880
357 H LEU 43 H LEU 43 1.683 2.156 5.297
358 HA LEU 43 HA LEU 43 1.339 1.776 2.446
359 1HB LEU 43 1HB LEU 43 1.162 -0.027 4.282
360 2HB LEU 43 2HB LEU 43 -0.432 0.635 4.587
361 HG LEU 43 HG LEU 43 -1.123 0.103 2.310
362 1HD1 LEU 43 1HD1 LEU 43 1.460 0.307 1.624
363 2HD1 LEU 43 2HD1 LEU 43 1.322 -1.448 1.736
364 3HD1 LEU 43 3HD1 LEU 43 0.263 -0.547 0.649
365 1HD2 LEU 43 1HD2 LEU 43 -1.013 -1.624 4.275
366 2HD2 LEU 43 2HD2 LEU 43 -1.439 -2.146 2.645
367 3HD2 LEU 43 3HD2 LEU 43 0.198 -2.398 3.251
368 H ILE 44 H ILE 44 -0.221 2.673 1.203
369 HA ILE 44 HA ILE 44 -2.467 4.034 2.497
370 HB ILE 44 HB ILE 44 -0.636 5.394 0.518
371 1HG1 ILE 44 1HG1 ILE 44 -1.192 5.992 3.433
372 2HG1 ILE 44 2HG1 ILE 44 0.280 5.257 2.810
373 1HG2 ILE 44 1HG2 ILE 44 -3.152 5.853 0.389
374 2HG2 ILE 44 2HG2 ILE 44 -2.953 6.652 1.949
375 3HG2 ILE 44 3HG2 ILE 44 -2.073 7.240 0.539
376 1HD1 ILE 44 1HD1 ILE 44 -0.196 7.689 1.414
377 2HD1 ILE 44 2HD1 ILE 44 -0.294 7.982 3.149
378 3HD1 ILE 44 3HD1 ILE 44 1.154 7.248 2.459
379 H PHE 45 H PHE 45 -4.304 4.238 1.243
380 HA PHE 45 HA PHE 45 -4.222 3.154 -1.488
381 1HB PHE 45 1HB PHE 45 -6.335 2.443 0.559
382 2HB PHE 45 2HB PHE 45 -6.243 1.857 -1.097
383 HD1 PHE 45 HD1 PHE 45 -4.360 1.851 2.108
384 HD2 PHE 45 HD2 PHE 45 -5.181 -0.138 -1.562
385 HE1 PHE 45 HE1 PHE 45 -3.042 -0.083 2.866
386 HE2 PHE 45 HE2 PHE 45 -3.865 -2.078 -0.810
387 HZ PHE 45 HZ PHE 45 -2.794 -2.051 1.408
388 H ALA 46 H ALA 46 -5.593 4.169 -2.942
389 HA ALA 46 HA ALA 46 -7.658 5.959 -1.950
390 1HB ALA 46 1HB ALA 46 -6.423 7.802 -1.995
391 2HB ALA 46 2HB ALA 46 -6.297 7.609 -3.743
392 3HB ALA 46 3HB ALA 46 -5.052 6.936 -2.690
393 H GLY 47 H GLY 47 -9.359 5.627 -3.188
394 1HA GLY 47 1HA GLY 47 -10.631 4.899 -4.971
395 2HA GLY 47 2HA GLY 47 -9.155 4.361 -5.753
396 H LYS 48 H LYS 48 -9.392 5.185 -7.756
397 HA LYS 48 HA LYS 48 -10.255 7.929 -8.149
398 1HB LYS 48 1HB LYS 48 -7.493 6.984 -8.929
399 2HB LYS 48 2HB LYS 48 -8.234 8.460 -9.529
400 1HG LYS 48 1HG LYS 48 -7.654 7.870 -6.633
401 2HG LYS 48 2HG LYS 48 -6.653 8.863 -7.693
402 1HD LYS 48 1HD LYS 48 -8.522 10.409 -8.012
403 2HD LYS 48 2HD LYS 48 -9.526 9.415 -6.957
404 1HE LYS 48 1HE LYS 48 -7.985 9.828 -5.103
405 2HE LYS 48 2HE LYS 48 -6.983 10.823 -6.157
406 1HZ LYS 48 1HZ LYS 48 -9.835 11.456 -5.747
407 2HZ LYS 48 2HZ LYS 48 -8.667 11.975 -4.639
408 3HZ LYS 48 3HZ LYS 48 -8.584 12.476 -6.253
409 H GLN 49 H GLN 49 -11.956 6.616 -9.009
410 HA GLN 49 HA GLN 49 -11.570 5.077 -11.356
411 1HB GLN 49 1HB GLN 49 -14.020 5.221 -11.574
412 2HB GLN 49 2HB GLN 49 -13.534 4.789 -9.943
413 1HG GLN 49 1HG GLN 49 -13.911 7.072 -9.203
414 2HG GLN 49 2HG GLN 49 -14.377 7.532 -10.839
415 1HE2 GLN 49 2HE2 GLN 49 -15.474 4.476 -10.445
416 2HE2 GLN 49 1HE2 GLN 49 -17.076 4.805 -9.893
417 H LEU 50 H LEU 50 -10.596 6.032 -13.003
418 HA LEU 50 HA LEU 50 -10.408 8.645 -13.700
419 1HB LEU 50 1HB LEU 50 -10.523 6.226 -15.486
420 2HB LEU 50 2HB LEU 50 -10.151 7.826 -16.093
421 HG LEU 50 HG LEU 50 -8.117 6.526 -15.744
422 1HD1 LEU 50 1HD1 LEU 50 -8.985 5.096 -13.918
423 2HD1 LEU 50 2HD1 LEU 50 -7.402 5.790 -13.571
424 3HD1 LEU 50 3HD1 LEU 50 -8.846 6.470 -12.819
425 1HD2 LEU 50 1HD2 LEU 50 -8.679 9.071 -14.523
426 2HD2 LEU 50 2HD2 LEU 50 -7.396 8.224 -13.658
427 3HD2 LEU 50 3HD2 LEU 50 -7.241 8.530 -15.388
428 H GLU 51 H GLU 51 -12.450 9.586 -13.154
429 HA GLU 51 HA GLU 51 -14.863 9.029 -14.478
430 1HB GLU 51 1HB GLU 51 -14.705 10.363 -12.411
431 2HB GLU 51 2HB GLU 51 -13.924 11.655 -13.308
432 1HG GLU 51 1HG GLU 51 -15.942 11.931 -14.662
433 2HG GLU 51 2HG GLU 51 -16.726 10.645 -13.744
434 H1 GLY -1 H1 GLY -1 -5.589 -2.726 13.737
435 H2 GLY -1 H2 GLY -1 -6.686 -2.298 14.952
436 H3 GLY -1 H3 GLY -1 -5.942 -1.097 14.023
437 1HA GLY -1 1HA GLY -1 -5.058 -2.259 16.425
438 2HA GLY -1 2HA GLY -1 -4.341 -0.934 15.519
439 H SER 0 H SER 0 -4.771 -4.345 14.630
440 HA SER 0 HA SER 0 -2.129 -5.157 15.105
441 1HB SER 0 1HB SER 0 -4.129 -6.254 13.115
442 2HB SER 0 2HB SER 0 -2.658 -7.074 13.638
443 HG SER 0 HG SER 0 -3.683 -6.651 15.854
444 H MET 1 H MET 1 -3.689 -3.905 12.185
445 HA MET 1 HA MET 1 -1.270 -2.782 11.211
446 1HB MET 1 1HB MET 1 -0.781 -5.104 10.643
447 2HB MET 1 2HB MET 1 -2.312 -5.244 9.798
448 1HG MET 1 1HG MET 1 -0.436 -4.987 8.264
449 2HG MET 1 2HG MET 1 -1.581 -3.658 8.131
450 1HE MET 1 1HE MET 1 0.392 -3.191 6.675
451 2HE MET 1 2HE MET 1 0.708 -1.520 7.144
452 3HE MET 1 3HE MET 1 2.004 -2.716 7.211
453 H GLN 2 H GLN 2 -3.553 -1.524 11.705
454 HA GLN 2 HA GLN 2 -5.460 -1.420 9.660
455 1HB GLN 2 1HB GLN 2 -6.021 0.813 10.605
456 2HB GLN 2 2HB GLN 2 -5.934 -0.461 11.810
457 1HG GLN 2 1HG GLN 2 -3.687 0.295 12.431
458 2HG GLN 2 2HG GLN 2 -3.807 1.591 11.244
459 1HE2 GLN 2 2HE2 GLN 2 -4.261 3.470 12.109
460 2HE2 GLN 2 1HE2 GLN 2 -5.251 3.748 13.495
461 H ILE 3 H ILE 3 -5.038 -1.037 7.624
462 HA ILE 3 HA ILE 3 -2.818 0.464 6.677
463 HB ILE 3 HB ILE 3 -3.828 0.127 4.445
464 1HG1 ILE 3 1HG1 ILE 3 -6.052 -1.234 5.978
465 2HG1 ILE 3 2HG1 ILE 3 -6.191 0.306 5.139
466 1HG2 ILE 3 1HG2 ILE 3 -2.426 -1.603 5.626
467 2HG2 ILE 3 2HG2 ILE 3 -3.931 -2.425 6.033
468 3HG2 ILE 3 3HG2 ILE 3 -3.471 -2.213 4.344
469 1HD1 ILE 3 1HD1 ILE 3 -5.202 -1.555 3.273
470 2HD1 ILE 3 2HD1 ILE 3 -6.540 -2.326 4.124
471 3HD1 ILE 3 3HD1 ILE 3 -6.786 -0.779 3.313
472 H PHE 4 H PHE 4 -2.809 2.453 5.618
473 HA PHE 4 HA PHE 4 -4.909 4.276 6.460
474 1HB PHE 4 1HB PHE 4 -2.265 4.755 5.067
475 2HB PHE 4 2HB PHE 4 -3.393 6.031 5.504
476 HD1 PHE 4 HD1 PHE 4 -2.637 7.258 7.272
477 HD2 PHE 4 HD2 PHE 4 -2.016 3.048 7.293
478 HE1 PHE 4 HE1 PHE 4 -1.598 7.426 9.495
479 HE2 PHE 4 HE2 PHE 4 -0.978 3.208 9.517
480 HZ PHE 4 HZ PHE 4 -0.768 5.399 10.621
481 H VAL 5 H VAL 5 -6.463 5.035 5.165
482 HA VAL 5 HA VAL 5 -6.160 4.820 2.262
483 HB VAL 5 HB VAL 5 -8.549 3.737 3.764
484 1HG1 VAL 5 1HG1 VAL 5 -6.081 2.517 3.002
485 2HG1 VAL 5 2HG1 VAL 5 -7.461 1.804 3.836
486 3HG1 VAL 5 3HG1 VAL 5 -7.397 1.799 2.073
487 1HG2 VAL 5 1HG2 VAL 5 -8.122 4.500 0.965
488 2HG2 VAL 5 2HG2 VAL 5 -8.795 2.885 1.191
489 3HG2 VAL 5 3HG2 VAL 5 -9.621 4.287 1.869
490 H LYS 6 H LYS 6 -7.559 6.178 1.065
491 HA LYS 6 HA LYS 6 -8.877 8.280 2.650
492 1HB LYS 6 1HB LYS 6 -6.796 9.133 1.666
493 2HB LYS 6 2HB LYS 6 -7.328 8.617 0.072
494 1HG LYS 6 1HG LYS 6 -9.190 10.192 0.177
495 2HG LYS 6 2HG LYS 6 -8.666 10.705 1.782
496 1HD LYS 6 1HD LYS 6 -7.035 10.949 -0.745
497 2HD LYS 6 2HD LYS 6 -7.938 12.260 0.016
498 1HE LYS 6 1HE LYS 6 -6.567 12.028 2.032
499 2HE LYS 6 2HE LYS 6 -5.663 10.723 1.265
500 1HZ LYS 6 1HZ LYS 6 -5.717 13.052 -0.370
501 2HZ LYS 6 2HZ LYS 6 -5.084 13.401 1.158
502 3HZ LYS 6 3HZ LYS 6 -4.388 12.182 0.213
503 H THR 7 H THR 7 -10.989 8.257 2.322
504 HA THR 7 HA THR 7 -12.197 6.785 0.221
505 HB THR 7 HB THR 7 -14.335 7.713 1.043
506 HG1 THR 7 HG1 THR 7 -13.502 9.785 1.680
507 1HG2 THR 7 1HG2 THR 7 -12.488 6.088 2.462
508 2HG2 THR 7 2HG2 THR 7 -13.355 7.080 3.635
509 3HG2 THR 7 3HG2 THR 7 -14.250 6.051 2.519
510 H LEU 8 H LEU 8 -13.490 7.501 -1.467
511 HA LEU 8 HA LEU 8 -12.495 9.422 -3.146
512 1HB LEU 8 1HB LEU 8 -15.347 8.468 -2.904
513 2HB LEU 8 2HB LEU 8 -14.689 9.316 -4.291
514 HG LEU 8 HG LEU 8 -13.401 6.772 -3.390
515 1HD1 LEU 8 1HD1 LEU 8 -12.505 8.331 -5.190
516 2HD1 LEU 8 2HD1 LEU 8 -12.664 6.624 -5.602
517 3HD1 LEU 8 3HD1 LEU 8 -13.864 7.783 -6.171
518 1HD2 LEU 8 1HD2 LEU 8 -16.122 7.020 -4.349
519 2HD2 LEU 8 2HD2 LEU 8 -15.124 6.005 -5.388
520 3HD2 LEU 8 3HD2 LEU 8 -15.277 5.628 -3.671
521 H THR 9 H THR 9 -14.946 9.784 -0.637
522 HA THR 9 HA THR 9 -15.730 12.420 -1.304
523 HB THR 9 HB THR 9 -16.680 12.524 0.967
524 HG1 THR 9 HG1 THR 9 -16.426 10.574 2.269
525 1HG2 THR 9 1HG2 THR 9 -17.813 11.299 -0.928
526 2HG2 THR 9 2HG2 THR 9 -17.197 9.805 -0.223
527 3HG2 THR 9 3HG2 THR 9 -18.313 10.815 0.694
528 H GLY 10 H GLY 10 -13.351 11.140 1.017
529 1HA GLY 10 1HA GLY 10 -12.460 13.885 1.552
530 2HA GLY 10 2HA GLY 10 -11.308 12.763 0.855
531 H LYS 11 H LYS 11 -13.752 12.157 3.360
532 HA LYS 11 HA LYS 11 -12.133 12.392 5.588
533 1HB LYS 11 1HB LYS 11 -13.740 10.910 6.736
534 2HB LYS 11 2HB LYS 11 -14.517 12.182 5.811
535 1HG LYS 11 1HG LYS 11 -15.836 10.400 5.284
536 2HG LYS 11 2HG LYS 11 -14.669 10.339 3.963
537 1HD LYS 11 1HD LYS 11 -13.477 8.560 4.977
538 2HD LYS 11 2HD LYS 11 -14.342 8.763 6.504
539 1HE LYS 11 1HE LYS 11 -16.425 8.081 5.401
540 2HE LYS 11 2HE LYS 11 -15.545 7.857 3.891
541 1HZ LYS 11 1HZ LYS 11 -14.969 6.382 6.401
542 2HZ LYS 11 2HZ LYS 11 -15.904 5.777 5.127
543 3HZ LYS 11 3HZ LYS 11 -14.264 6.114 4.886
544 H THR 12 H THR 12 -10.779 11.111 6.718
545 HA THR 12 HA THR 12 -9.366 9.100 5.277
546 HB THR 12 HB THR 12 -9.137 9.826 8.202
547 HG1 THR 12 HG1 THR 12 -7.716 11.359 7.568
548 1HG2 THR 12 1HG2 THR 12 -7.965 7.730 6.751
549 2HG2 THR 12 2HG2 THR 12 -6.709 8.956 6.924
550 3HG2 THR 12 3HG2 THR 12 -7.512 8.308 8.355
551 H ILE 13 H ILE 13 -9.157 6.934 5.695
552 HA ILE 13 HA ILE 13 -11.162 5.714 7.461
553 HB ILE 13 HB ILE 13 -12.216 5.197 5.530
554 1HG1 ILE 13 1HG1 ILE 13 -10.054 3.110 5.739
555 2HG1 ILE 13 2HG1 ILE 13 -11.696 3.034 6.371
556 1HG2 ILE 13 1HG2 ILE 13 -9.673 5.912 4.337
557 2HG2 ILE 13 2HG2 ILE 13 -10.475 4.595 3.480
558 3HG2 ILE 13 3HG2 ILE 13 -11.312 6.132 3.725
559 1HD1 ILE 13 1HD1 ILE 13 -12.523 3.011 4.028
560 2HD1 ILE 13 2HD1 ILE 13 -10.845 2.908 3.489
561 3HD1 ILE 13 3HD1 ILE 13 -11.543 1.610 4.465
562 H THR 14 H THR 14 -10.550 3.914 8.536
563 HA THR 14 HA THR 14 -7.756 3.030 8.184
564 HB THR 14 HB THR 14 -9.003 2.585 10.827
565 HG1 THR 14 HG1 THR 14 -9.342 4.631 11.263
566 1HG2 THR 14 1HG2 THR 14 -6.374 2.959 9.619
567 2HG2 THR 14 2HG2 THR 14 -6.574 3.854 11.127
568 3HG2 THR 14 3HG2 THR 14 -6.827 2.109 11.098
569 H LEU 15 H LEU 15 -7.350 0.820 8.270
570 HA LEU 15 HA LEU 15 -9.504 -1.024 8.859
571 1HB LEU 15 1HB LEU 15 -10.213 -0.785 6.702
572 2HB LEU 15 2HB LEU 15 -8.629 -0.334 6.110
573 HG LEU 15 HG LEU 15 -7.931 -2.692 6.199
574 1HD1 LEU 15 1HD1 LEU 15 -10.316 -1.869 4.603
575 2HD1 LEU 15 2HD1 LEU 15 -8.644 -2.095 4.088
576 3HD1 LEU 15 3HD1 LEU 15 -9.656 -3.497 4.442
577 1HD2 LEU 15 1HD2 LEU 15 -10.068 -3.005 7.919
578 2HD2 LEU 15 2HD2 LEU 15 -10.581 -3.822 6.443
579 3HD2 LEU 15 3HD2 LEU 15 -9.074 -4.287 7.229
580 H GLU 16 H GLU 16 -8.526 -2.484 10.090
581 HA GLU 16 HA GLU 16 -5.724 -3.048 9.886
582 1HB GLU 16 1HB GLU 16 -6.149 -4.617 11.746
583 2HB GLU 16 2HB GLU 16 -6.775 -3.004 12.064
584 1HG GLU 16 1HG GLU 16 -9.021 -3.749 11.498
585 2HG GLU 16 2HG GLU 16 -8.404 -5.361 11.139
586 H VAL 17 H VAL 17 -4.727 -4.723 8.975
587 HA VAL 17 HA VAL 17 -6.117 -7.135 8.204
588 HB VAL 17 HB VAL 17 -5.319 -6.988 5.820
589 1HG1 VAL 17 1HG1 VAL 17 -7.442 -5.093 6.800
590 2HG1 VAL 17 2HG1 VAL 17 -7.182 -5.457 5.095
591 3HG1 VAL 17 3HG1 VAL 17 -7.647 -6.742 6.210
592 1HG2 VAL 17 1HG2 VAL 17 -4.350 -4.444 6.811
593 2HG2 VAL 17 2HG2 VAL 17 -3.923 -5.323 5.343
594 3HG2 VAL 17 3HG2 VAL 17 -5.333 -4.263 5.357
595 H GLU 18 H GLU 18 -4.730 -8.858 7.990
596 HA GLU 18 HA GLU 18 -2.213 -8.675 9.199
597 1HB GLU 18 1HB GLU 18 -3.226 -10.871 7.391
598 2HB GLU 18 2HB GLU 18 -1.916 -11.003 8.555
599 1HG GLU 18 1HG GLU 18 -3.488 -10.590 10.375
600 2HG GLU 18 2HG GLU 18 -4.802 -10.457 9.207
601 HA PRO 19 HA PRO 19 0.434 -7.139 5.989
602 1HB PRO 19 1HB PRO 19 2.730 -8.441 6.841
603 2HB PRO 19 2HB PRO 19 2.161 -6.890 7.451
604 1HG PRO 19 1HG PRO 19 1.833 -9.617 8.615
605 2HG PRO 19 2HG PRO 19 2.160 -8.080 9.434
606 1HD PRO 19 1HD PRO 19 -0.286 -9.162 9.448
607 2HD PRO 19 2HD PRO 19 -0.061 -7.406 9.321
608 H SER 20 H SER 20 0.588 -10.540 6.914
609 HA SER 20 HA SER 20 1.839 -11.492 4.582
610 1HB SER 20 1HB SER 20 1.763 -12.774 6.663
611 2HB SER 20 2HB SER 20 0.013 -12.925 6.522
612 HG SER 20 HG SER 20 0.276 -14.495 5.150
613 H ASP 21 H ASP 21 -1.487 -10.770 5.357
614 HA ASP 21 HA ASP 21 -2.826 -12.217 3.412
615 1HB ASP 21 1HB ASP 21 -3.418 -9.485 4.564
616 2HB ASP 21 2HB ASP 21 -4.529 -10.356 3.514
617 H THR 22 H THR 22 -3.122 -12.039 1.270
618 HA THR 22 HA THR 22 -1.298 -10.706 -0.337
619 HB THR 22 HB THR 22 -2.799 -11.207 -2.231
620 HG1 THR 22 HG1 THR 22 -4.662 -12.632 -0.942
621 1HG2 THR 22 1HG2 THR 22 -1.306 -12.930 -1.144
622 2HG2 THR 22 2HG2 THR 22 -2.742 -13.526 -0.310
623 3HG2 THR 22 3HG2 THR 22 -2.662 -13.573 -2.072
624 H ILE 23 H ILE 23 -1.309 -8.849 -1.526
625 HA ILE 23 HA ILE 23 -2.549 -6.585 -0.475
626 HB ILE 23 HB ILE 23 -1.467 -6.952 -3.273
627 1HG1 ILE 23 1HG1 ILE 23 -0.145 -5.926 -0.749
628 2HG1 ILE 23 2HG1 ILE 23 0.195 -7.461 -1.540
629 1HG2 ILE 23 1HG2 ILE 23 -2.968 -4.984 -2.939
630 2HG2 ILE 23 2HG2 ILE 23 -1.832 -4.394 -1.724
631 3HG2 ILE 23 3HG2 ILE 23 -1.316 -4.572 -3.401
632 1HD1 ILE 23 1HD1 ILE 23 0.490 -5.054 -3.210
633 2HD1 ILE 23 2HD1 ILE 23 1.656 -5.253 -1.902
634 3HD1 ILE 23 3HD1 ILE 23 1.478 -6.511 -3.124
635 H GLU 24 H GLU 24 -3.444 -8.575 -3.273
636 HA GLU 24 HA GLU 24 -5.557 -7.023 -4.223
637 1HB GLU 24 1HB GLU 24 -6.378 -9.085 -5.280
638 2HB GLU 24 2HB GLU 24 -4.644 -8.899 -5.486
639 1HG GLU 24 1HG GLU 24 -4.261 -10.489 -3.666
640 2HG GLU 24 2HG GLU 24 -6.004 -10.686 -3.483
641 H ASN 25 H ASN 25 -5.502 -9.539 -1.739
642 HA ASN 25 HA ASN 25 -8.287 -9.580 -1.257
643 1HB ASN 25 1HB ASN 25 -6.857 -11.409 -0.526
644 2HB ASN 25 2HB ASN 25 -5.973 -10.328 0.543
645 1HD2 ASN 25 2HD2 ASN 25 -6.478 -10.623 2.571
646 2HD2 ASN 25 1HD2 ASN 25 -8.042 -11.011 3.194
647 H VAL 26 H VAL 26 -5.617 -7.772 0.192
648 HA VAL 26 HA VAL 26 -7.034 -6.545 2.270
649 HB VAL 26 HB VAL 26 -4.657 -5.496 0.723
650 1HG1 VAL 26 1HG1 VAL 26 -4.823 -7.714 2.340
651 2HG1 VAL 26 2HG1 VAL 26 -3.352 -6.819 1.959
652 3HG1 VAL 26 3HG1 VAL 26 -4.245 -6.460 3.436
653 1HG2 VAL 26 1HG2 VAL 26 -6.029 -3.816 2.071
654 2HG2 VAL 26 2HG2 VAL 26 -5.455 -4.683 3.496
655 3HG2 VAL 26 3HG2 VAL 26 -4.300 -3.914 2.407
656 H LYS 27 H LYS 27 -6.382 -5.384 -1.041
657 HA LYS 27 HA LYS 27 -7.778 -2.945 -0.769
658 1HB LYS 27 1HB LYS 27 -7.293 -4.552 -3.285
659 2HB LYS 27 2HB LYS 27 -7.766 -2.863 -3.221
660 1HG LYS 27 1HG LYS 27 -5.622 -2.379 -2.036
661 2HG LYS 27 2HG LYS 27 -5.154 -4.055 -2.330
662 1HD LYS 27 1HD LYS 27 -5.487 -3.666 -4.763
663 2HD LYS 27 2HD LYS 27 -5.790 -1.965 -4.410
664 1HE LYS 27 1HE LYS 27 -3.247 -3.497 -3.909
665 2HE LYS 27 2HE LYS 27 -3.505 -2.238 -5.113
666 1HZ LYS 27 1HZ LYS 27 -4.141 -0.878 -2.972
667 2HZ LYS 27 2HZ LYS 27 -3.116 -2.000 -2.231
668 3HZ LYS 27 3HZ LYS 27 -2.535 -1.025 -3.484
669 H ALA 28 H ALA 28 -8.763 -6.158 -1.837
670 HA ALA 28 HA ALA 28 -11.288 -5.594 -2.828
671 1HB ALA 28 1HB ALA 28 -11.398 -7.797 -3.087
672 2HB ALA 28 2HB ALA 28 -11.266 -8.080 -1.350
673 3HB ALA 28 3HB ALA 28 -9.809 -7.882 -2.326
674 H LYS 29 H LYS 29 -10.236 -5.986 0.509
675 HA LYS 29 HA LYS 29 -12.818 -6.103 1.660
676 1HB LYS 29 1HB LYS 29 -10.801 -6.822 2.868
677 2HB LYS 29 2HB LYS 29 -10.202 -5.169 2.868
678 1HG LYS 29 1HG LYS 29 -11.989 -4.458 4.295
679 2HG LYS 29 2HG LYS 29 -12.761 -6.042 4.189
680 1HD LYS 29 1HD LYS 29 -10.044 -5.500 5.385
681 2HD LYS 29 2HD LYS 29 -11.531 -5.737 6.300
682 1HE LYS 29 1HE LYS 29 -10.250 -7.753 4.460
683 2HE LYS 29 2HE LYS 29 -10.188 -7.780 6.222
684 1HZ LYS 29 1HZ LYS 29 -12.642 -7.940 6.207
685 2HZ LYS 29 2HZ LYS 29 -12.602 -8.082 4.522
686 3HZ LYS 29 3HZ LYS 29 -11.883 -9.269 5.488
687 H ILE 30 H ILE 30 -10.676 -3.488 0.727
688 HA ILE 30 HA ILE 30 -11.952 -1.358 2.004
689 HB ILE 30 HB ILE 30 -10.696 -1.265 -0.745
690 1HG1 ILE 30 1HG1 ILE 30 -9.399 -0.915 1.970
691 2HG1 ILE 30 2HG1 ILE 30 -9.184 -2.304 0.910
692 1HG2 ILE 30 1HG2 ILE 30 -12.095 0.692 0.238
693 2HG2 ILE 30 2HG2 ILE 30 -10.684 0.953 1.264
694 3HG2 ILE 30 3HG2 ILE 30 -10.526 1.030 -0.491
695 1HD1 ILE 30 1HD1 ILE 30 -8.555 -0.064 -0.640
696 2HD1 ILE 30 2HD1 ILE 30 -7.795 0.195 0.930
697 3HD1 ILE 30 3HD1 ILE 30 -7.450 -1.273 0.015
698 H GLN 31 H GLN 31 -12.786 -3.225 -0.816
699 HA GLN 31 HA GLN 31 -14.736 -1.543 -1.963
700 1HB GLN 31 1HB GLN 31 -14.727 -4.571 -1.878
701 2HB GLN 31 2HB GLN 31 -15.599 -3.562 -3.022
702 1HG GLN 31 1HG GLN 31 -13.541 -2.820 -4.011
703 2HG GLN 31 2HG GLN 31 -12.605 -3.683 -2.793
704 1HE2 GLN 31 2HE2 GLN 31 -13.877 -3.817 -5.845
705 2HE2 GLN 31 1HE2 GLN 31 -13.753 -5.517 -6.128
706 H ASP 32 H ASP 32 -14.963 -4.247 0.299
707 HA ASP 32 HA ASP 32 -17.696 -4.044 0.853
708 1HB ASP 32 1HB ASP 32 -16.320 -6.004 1.469
709 2HB ASP 32 2HB ASP 32 -15.484 -5.025 2.670
710 H LYS 33 H LYS 33 -14.889 -2.432 2.092
711 HA LYS 33 HA LYS 33 -16.049 -1.166 4.325
712 1HB LYS 33 1HB LYS 33 -13.607 -0.600 2.656
713 2HB LYS 33 2HB LYS 33 -14.054 0.417 4.023
714 1HG LYS 33 1HG LYS 33 -13.490 -2.540 4.145
715 2HG LYS 33 2HG LYS 33 -12.375 -1.256 4.621
716 1HD LYS 33 1HD LYS 33 -13.948 -0.521 6.343
717 2HD LYS 33 2HD LYS 33 -15.073 -1.794 5.863
718 1HE LYS 33 1HE LYS 33 -12.290 -2.215 6.945
719 2HE LYS 33 2HE LYS 33 -13.789 -2.422 7.850
720 1HZ LYS 33 1HZ LYS 33 -13.476 -3.916 5.354
721 2HZ LYS 33 2HZ LYS 33 -12.596 -4.438 6.702
722 3HZ LYS 33 3HZ LYS 33 -14.284 -4.347 6.775
723 H GLU 34 H GLU 34 -15.898 -0.328 0.917
724 HA GLU 34 HA GLU 34 -17.797 1.837 1.426
725 1HB GLU 34 1HB GLU 34 -15.268 2.189 -0.194
726 2HB GLU 34 2HB GLU 34 -16.571 3.361 -0.089
727 1HG GLU 34 1HG GLU 34 -14.893 2.420 2.224
728 2HG GLU 34 2HG GLU 34 -14.665 3.926 1.340
729 H GLY 35 H GLY 35 -15.911 0.662 -1.373
730 1HA GLY 35 1HA GLY 35 -18.418 0.515 -2.893
731 2HA GLY 35 2HA GLY 35 -17.434 -0.933 -2.771
732 H ILE 36 H ILE 36 -14.917 -0.129 -3.126
733 HA ILE 36 HA ILE 36 -14.964 1.046 -5.819
734 HB ILE 36 HB ILE 36 -12.467 1.686 -4.710
735 1HG1 ILE 36 1HG1 ILE 36 -13.190 3.215 -2.841
736 2HG1 ILE 36 2HG1 ILE 36 -14.752 2.402 -2.865
737 1HG2 ILE 36 1HG2 ILE 36 -14.729 2.996 -5.948
738 2HG2 ILE 36 2HG2 ILE 36 -13.891 4.039 -4.796
739 3HG2 ILE 36 3HG2 ILE 36 -12.998 3.296 -6.126
740 1HD1 ILE 36 1HD1 ILE 36 -13.452 0.251 -2.482
741 2HD1 ILE 36 2HD1 ILE 36 -12.082 1.290 -2.094
742 3HD1 ILE 36 3HD1 ILE 36 -13.560 1.385 -1.136
743 HA PRO 37 HA PRO 37 -12.834 -2.658 -7.049
744 1HB PRO 37 1HB PRO 37 -11.584 -0.737 -8.966
745 2HB PRO 37 2HB PRO 37 -12.325 -2.310 -9.278
746 1HG PRO 37 1HG PRO 37 -13.635 -0.082 -9.867
747 2HG PRO 37 2HG PRO 37 -14.490 -1.456 -9.140
748 1HD PRO 37 1HD PRO 37 -13.598 1.104 -7.887
749 2HD PRO 37 2HD PRO 37 -15.066 0.154 -7.589
750 HA PRO 38 HA PRO 38 -8.998 -2.377 -4.825
751 1HB PRO 38 1HB PRO 38 -8.064 -4.511 -6.652
752 2HB PRO 38 2HB PRO 38 -8.146 -4.494 -4.889
753 1HG PRO 38 1HG PRO 38 -9.871 -5.916 -6.372
754 2HG PRO 38 2HG PRO 38 -10.353 -5.146 -4.850
755 1HD PRO 38 1HD PRO 38 -10.930 -4.332 -7.655
756 2HD PRO 38 2HD PRO 38 -11.927 -4.159 -6.198
757 H ASP 39 H ASP 39 -8.963 -2.603 -8.349
758 HA ASP 39 HA ASP 39 -6.311 -1.799 -8.765
759 1HB ASP 39 1HB ASP 39 -8.716 -1.434 -10.563
760 2HB ASP 39 2HB ASP 39 -7.035 -1.282 -11.065
761 H GLN 40 H GLN 40 -9.284 0.071 -8.370
762 HA GLN 40 HA GLN 40 -8.233 2.540 -9.167
763 1HB GLN 40 1HB GLN 40 -10.514 1.881 -7.310
764 2HB GLN 40 2HB GLN 40 -10.152 3.506 -7.877
765 1HG GLN 40 1HG GLN 40 -10.472 2.776 -10.185
766 2HG GLN 40 2HG GLN 40 -10.827 1.145 -9.622
767 1HE2 GLN 40 2HE2 GLN 40 -12.125 2.971 -7.313
768 2HE2 GLN 40 1HE2 GLN 40 -13.719 3.186 -7.937
769 H GLN 41 H GLN 41 -8.353 1.004 -5.964
770 HA GLN 41 HA GLN 41 -7.418 3.157 -4.453
771 1HB GLN 41 1HB GLN 41 -7.049 0.185 -4.092
772 2HB GLN 41 2HB GLN 41 -6.462 1.357 -2.923
773 1HG GLN 41 1HG GLN 41 -8.562 0.481 -2.185
774 2HG GLN 41 2HG GLN 41 -8.763 2.176 -2.624
775 1HE2 GLN 41 2HE2 GLN 41 -9.938 -0.923 -2.991
776 2HE2 GLN 41 1HE2 GLN 41 -11.005 -0.647 -4.320
777 H ARG 42 H ARG 42 -5.516 4.178 -4.348
778 HA ARG 42 HA ARG 42 -3.343 3.245 -5.992
779 1HB ARG 42 1HB ARG 42 -3.641 5.757 -4.357
780 2HB ARG 42 2HB ARG 42 -2.284 5.406 -5.416
781 1HG ARG 42 1HG ARG 42 -3.802 5.352 -7.336
782 2HG ARG 42 2HG ARG 42 -5.155 5.724 -6.268
783 1HD ARG 42 1HD ARG 42 -4.101 7.842 -5.662
784 2HD ARG 42 2HD ARG 42 -2.737 7.469 -6.715
785 HE ARG 42 HE ARG 42 -5.170 8.634 -7.500
786 1HH1 ARG 42 1HH1 ARG 42 -2.884 6.219 -8.549
787 2HH1 ARG 42 2HH1 ARG 42 -3.267 6.404 -10.228
788 1HH2 ARG 42 1HH2 ARG 42 -5.676 8.882 -9.707
789 2HH2 ARG 42 2HH2 ARG 42 -4.852 7.918 -10.886
790 H LEU 43 H LEU 43 -1.668 2.101 -5.272
791 HA LEU 43 HA LEU 43 -1.351 1.703 -2.417
792 1HB LEU 43 1HB LEU 43 -1.181 -0.103 -4.247
793 2HB LEU 43 2HB LEU 43 0.417 0.551 -4.557
794 HG LEU 43 HG LEU 43 1.101 0.026 -2.271
795 1HD1 LEU 43 1HD1 LEU 43 -1.478 0.221 -1.591
796 2HD1 LEU 43 2HD1 LEU 43 -1.346 -1.534 -1.725
797 3HD1 LEU 43 3HD1 LEU 43 -0.289 -0.651 -0.622
798 1HD2 LEU 43 1HD2 LEU 43 1.008 -1.695 -4.245
799 2HD2 LEU 43 2HD2 LEU 43 1.436 -2.217 -2.616
800 3HD2 LEU 43 3HD2 LEU 43 -0.198 -2.480 -3.225
801 H ILE 44 H ILE 44 0.207 2.599 -1.166
802 HA ILE 44 HA ILE 44 2.471 3.935 -2.453
803 HB ILE 44 HB ILE 44 0.639 5.321 -0.495
804 1HG1 ILE 44 1HG1 ILE 44 1.216 5.886 -3.412
805 2HG1 ILE 44 2HG1 ILE 44 -0.270 5.186 -2.782
806 1HG2 ILE 44 1HG2 ILE 44 3.149 5.766 -0.335
807 2HG2 ILE 44 2HG2 ILE 44 2.991 6.537 -1.912
808 3HG2 ILE 44 3HG2 ILE 44 2.091 7.163 -0.531
809 1HD1 ILE 44 1HD1 ILE 44 0.244 7.622 -1.412
810 2HD1 ILE 44 2HD1 ILE 44 0.359 7.897 -3.149
811 3HD1 ILE 44 3HD1 ILE 44 -1.107 7.198 -2.463
812 H PHE 45 H PHE 45 4.301 4.139 -1.192
813 HA PHE 45 HA PHE 45 4.203 3.089 1.552
814 1HB PHE 45 1HB PHE 45 6.322 2.327 -0.472
815 2HB PHE 45 2HB PHE 45 6.202 1.759 1.189
816 HD1 PHE 45 HD1 PHE 45 4.358 1.740 -2.040
817 HD2 PHE 45 HD2 PHE 45 5.112 -0.221 1.660
818 HE1 PHE 45 HE1 PHE 45 3.034 -0.189 -2.798
819 HE2 PHE 45 HE2 PHE 45 3.789 -2.155 0.908
820 HZ PHE 45 HZ PHE 45 2.749 -2.141 -1.324
821 H ALA 46 H ALA 46 5.582 4.121 2.990
822 HA ALA 46 HA ALA 46 7.661 5.876 1.959
823 1HB ALA 46 1HB ALA 46 6.453 7.736 1.998
824 2HB ALA 46 2HB ALA 46 5.069 6.884 2.683
825 3HB ALA 46 3HB ALA 46 6.308 7.551 3.745
826 H GLY 47 H GLY 47 9.365 5.485 3.180
827 1HA GLY 47 1HA GLY 47 10.644 4.805 4.973
828 2HA GLY 47 2HA GLY 47 9.170 4.278 5.766
829 H LYS 48 H LYS 48 9.372 5.133 7.757
830 HA LYS 48 HA LYS 48 10.268 7.872 8.116
831 1HB LYS 48 1HB LYS 48 7.481 6.973 8.866
832 2HB LYS 48 2HB LYS 48 8.233 8.442 9.469
833 1HG LYS 48 1HG LYS 48 7.704 7.846 6.567
834 2HG LYS 48 2HG LYS 48 6.683 8.842 7.603
835 1HD LYS 48 1HD LYS 48 8.557 10.378 7.966
836 2HD LYS 48 2HD LYS 48 9.571 9.384 6.921
837 1HE LYS 48 1HE LYS 48 8.062 9.813 5.047
838 2HE LYS 48 2HE LYS 48 7.044 10.802 6.090
839 1HZ LYS 48 1HZ LYS 48 9.903 11.432 5.720
840 2HZ LYS 48 2HZ LYS 48 8.746 11.966 4.608
841 3HZ LYS 48 3HZ LYS 48 8.651 12.451 6.228
842 H GLN 49 H GLN 49 11.940 6.539 9.057
843 HA GLN 49 HA GLN 49 11.469 5.030 11.402
844 1HB GLN 49 1HB GLN 49 13.905 5.165 11.711
845 2HB GLN 49 2HB GLN 49 13.489 4.755 10.054
846 1HG GLN 49 1HG GLN 49 13.880 7.065 9.375
847 2HG GLN 49 2HG GLN 49 14.311 7.476 11.033
848 1HE2 GLN 49 2HE2 GLN 49 15.393 4.418 10.565
849 2HE2 GLN 49 1HE2 GLN 49 17.011 4.754 10.064
850 H LEU 50 H LEU 50 10.746 5.821 13.245
851 HA LEU 50 HA LEU 50 10.412 8.492 13.867
852 1HB LEU 50 1HB LEU 50 10.588 6.070 15.642
853 2HB LEU 50 2HB LEU 50 10.229 7.664 16.273
854 HG LEU 50 HG LEU 50 8.190 6.359 15.965
855 1HD1 LEU 50 1HD1 LEU 50 9.017 4.955 14.098
856 2HD1 LEU 50 2HD1 LEU 50 7.422 5.649 13.801
857 3HD1 LEU 50 3HD1 LEU 50 8.845 6.343 13.025
858 1HD2 LEU 50 1HD2 LEU 50 8.683 8.945 14.960
859 2HD2 LEU 50 2HD2 LEU 50 7.580 8.153 13.835
860 3HD2 LEU 50 3HD2 LEU 50 7.161 8.273 15.544
861 H GLU 51 H GLU 51 12.441 9.454 13.273
862 HA GLU 51 HA GLU 51 14.870 8.927 14.593
863 1HB GLU 51 1HB GLU 51 14.781 10.182 12.508
864 2HB GLU 51 2HB GLU 51 13.885 11.473 13.294
865 1HG GLU 51 1HG GLU 51 15.805 11.955 14.714
866 2HG GLU 51 2HG GLU 51 16.705 10.646 13.948
No H/Q in entry = 866
Start of MODEL 2
1 H1 GLY -1 H1 GLY -1 2.044 -6.496 -17.596
2 H2 GLY -1 H2 GLY -1 3.190 -5.286 -17.311
3 H3 GLY -1 H3 GLY -1 3.521 -6.520 -18.419
4 1HA GLY -1 1HA GLY -1 4.688 -6.826 -16.290
5 2HA GLY -1 2HA GLY -1 3.621 -8.158 -16.707
6 H SER 0 H SER 0 4.672 -6.842 -14.130
7 HA SER 0 HA SER 0 2.396 -7.416 -12.543
8 1HB SER 0 1HB SER 0 4.988 -6.035 -11.804
9 2HB SER 0 2HB SER 0 3.799 -6.649 -10.655
10 HG SER 0 HG SER 0 5.757 -7.997 -11.442
11 H MET 1 H MET 1 3.537 -4.808 -10.963
12 HA MET 1 HA MET 1 2.113 -2.721 -12.334
13 1HB MET 1 1HB MET 1 0.546 -2.308 -10.416
14 2HB MET 1 2HB MET 1 0.196 -3.752 -11.352
15 1HG MET 1 1HG MET 1 1.163 -5.151 -9.664
16 2HG MET 1 2HG MET 1 1.718 -3.744 -8.759
17 1HE MET 1 1HE MET 1 0.283 -1.918 -8.181
18 2HE MET 1 2HE MET 1 -1.447 -1.867 -8.525
19 3HE MET 1 3HE MET 1 -0.880 -2.332 -6.921
20 H GLN 2 H GLN 2 3.378 -1.033 -12.078
21 HA GLN 2 HA GLN 2 5.412 -0.819 -10.167
22 1HB GLN 2 1HB GLN 2 5.658 1.487 -10.974
23 2HB GLN 2 2HB GLN 2 5.494 0.349 -12.302
24 1HG GLN 2 1HG GLN 2 3.090 0.960 -12.446
25 2HG GLN 2 2HG GLN 2 3.378 2.196 -11.228
26 1HE2 GLN 2 2HE2 GLN 2 6.110 1.896 -13.085
27 2HE2 GLN 2 1HE2 GLN 2 5.817 3.170 -14.211
28 H ILE 3 H ILE 3 5.470 -0.077 -8.160
29 HA ILE 3 HA ILE 3 3.019 1.053 -7.009
30 HB ILE 3 HB ILE 3 3.951 0.420 -4.822
31 1HG1 ILE 3 1HG1 ILE 3 6.198 -0.815 -6.421
32 2HG1 ILE 3 2HG1 ILE 3 6.337 0.615 -5.407
33 1HG2 ILE 3 1HG2 ILE 3 2.642 -1.152 -6.441
34 2HG2 ILE 3 2HG2 ILE 3 4.164 -2.042 -6.484
35 3HG2 ILE 3 3HG2 ILE 3 3.335 -1.785 -4.948
36 1HD1 ILE 3 1HD1 ILE 3 5.234 -1.422 -3.807
37 2HD1 ILE 3 2HD1 ILE 3 6.594 -2.120 -4.687
38 3HD1 ILE 3 3HD1 ILE 3 6.830 -0.682 -3.694
39 H PHE 4 H PHE 4 3.020 3.004 -5.963
40 HA PHE 4 HA PHE 4 5.318 4.718 -6.453
41 1HB PHE 4 1HB PHE 4 2.551 5.312 -5.382
42 2HB PHE 4 2HB PHE 4 3.798 6.529 -5.608
43 HD1 PHE 4 HD1 PHE 4 3.342 7.878 -7.392
44 HD2 PHE 4 HD2 PHE 4 2.499 3.718 -7.710
45 HE1 PHE 4 HE1 PHE 4 2.609 8.208 -9.717
46 HE2 PHE 4 HE2 PHE 4 1.766 4.041 -10.036
47 HZ PHE 4 HZ PHE 4 1.821 6.288 -11.044
48 H VAL 5 H VAL 5 6.811 5.149 -4.955
49 HA VAL 5 HA VAL 5 6.108 4.962 -2.113
50 HB VAL 5 HB VAL 5 8.564 3.637 -3.266
51 1HG1 VAL 5 1HG1 VAL 5 5.912 2.487 -2.458
52 2HG1 VAL 5 2HG1 VAL 5 6.787 2.281 -3.975
53 3HG1 VAL 5 3HG1 VAL 5 7.387 1.519 -2.503
54 1HG2 VAL 5 1HG2 VAL 5 8.317 4.601 -0.793
55 2HG2 VAL 5 2HG2 VAL 5 7.547 3.032 -0.553
56 3HG2 VAL 5 3HG2 VAL 5 9.203 3.119 -1.153
57 H LYS 6 H LYS 6 7.275 6.279 -0.778
58 HA LYS 6 HA LYS 6 9.136 8.142 -2.089
59 1HB LYS 6 1HB LYS 6 7.387 8.593 0.337
60 2HB LYS 6 2HB LYS 6 8.533 9.757 -0.312
61 1HG LYS 6 1HG LYS 6 7.256 9.847 -2.397
62 2HG LYS 6 2HG LYS 6 6.100 8.692 -1.730
63 1HD LYS 6 1HD LYS 6 5.549 10.269 0.055
64 2HD LYS 6 2HD LYS 6 6.716 11.421 -0.598
65 1HE LYS 6 1HE LYS 6 4.258 10.391 -2.009
66 2HE LYS 6 2HE LYS 6 4.439 11.984 -1.274
67 1HZ LYS 6 1HZ LYS 6 6.317 12.358 -2.839
68 2HZ LYS 6 2HZ LYS 6 5.912 10.912 -3.615
69 3HZ LYS 6 3HZ LYS 6 4.812 12.196 -3.596
70 H THR 7 H THR 7 11.175 8.182 -1.408
71 HA THR 7 HA THR 7 12.158 6.312 0.454
72 HB THR 7 HB THR 7 14.321 7.456 0.208
73 HG1 THR 7 HG1 THR 7 13.245 9.617 0.065
74 1HG2 THR 7 1HG2 THR 7 12.681 6.490 -1.983
75 2HG2 THR 7 2HG2 THR 7 13.909 7.630 -2.536
76 3HG2 THR 7 3HG2 THR 7 14.385 6.190 -1.636
77 H LEU 8 H LEU 8 14.093 7.950 1.858
78 HA LEU 8 HA LEU 8 12.671 8.422 4.229
79 1HB LEU 8 1HB LEU 8 15.343 9.598 3.465
80 2HB LEU 8 2HB LEU 8 14.712 9.406 5.088
81 HG LEU 8 HG LEU 8 15.601 7.225 3.203
82 1HD1 LEU 8 1HD1 LEU 8 16.970 8.745 5.095
83 2HD1 LEU 8 2HD1 LEU 8 16.664 7.193 5.875
84 3HD1 LEU 8 3HD1 LEU 8 17.512 7.251 4.330
85 1HD2 LEU 8 1HD2 LEU 8 13.593 7.092 5.198
86 2HD2 LEU 8 2HD2 LEU 8 14.281 5.786 4.233
87 3HD2 LEU 8 3HD2 LEU 8 15.011 6.220 5.776
88 H THR 9 H THR 9 14.087 10.761 1.945
89 HA THR 9 HA THR 9 12.903 13.013 3.242
90 HB THR 9 HB THR 9 13.677 14.302 1.296
91 HG1 THR 9 HG1 THR 9 13.468 12.977 -0.436
92 1HG2 THR 9 1HG2 THR 9 15.547 12.353 2.601
93 2HG2 THR 9 2HG2 THR 9 16.143 13.522 1.422
94 3HG2 THR 9 3HG2 THR 9 15.357 14.081 2.899
95 H GLY 10 H GLY 10 12.165 11.168 0.302
96 1HA GLY 10 1HA GLY 10 9.665 12.678 0.001
97 2HA GLY 10 2HA GLY 10 9.575 10.939 0.222
98 H LYS 11 H LYS 11 11.936 10.338 -1.325
99 HA LYS 11 HA LYS 11 11.506 11.394 -3.973
100 1HB LYS 11 1HB LYS 11 13.765 10.831 -3.245
101 2HB LYS 11 2HB LYS 11 13.288 9.159 -2.987
102 1HG LYS 11 1HG LYS 11 12.810 8.964 -5.404
103 2HG LYS 11 2HG LYS 11 13.412 10.606 -5.623
104 1HD LYS 11 1HD LYS 11 15.591 9.917 -4.730
105 2HD LYS 11 2HD LYS 11 14.984 8.272 -4.541
106 1HE LYS 11 1HE LYS 11 16.304 8.488 -6.579
107 2HE LYS 11 2HE LYS 11 14.621 8.117 -6.947
108 1HZ LYS 11 1HZ LYS 11 15.484 10.923 -6.889
109 2HZ LYS 11 2HZ LYS 11 15.864 9.978 -8.238
110 3HZ LYS 11 3HZ LYS 11 14.247 10.199 -7.788
111 H THR 12 H THR 12 10.169 10.603 -5.467
112 HA THR 12 HA THR 12 8.517 8.342 -4.905
113 HB THR 12 HB THR 12 8.818 9.904 -7.481
114 HG1 THR 12 HG1 THR 12 6.801 10.851 -6.669
115 1HG2 THR 12 1HG2 THR 12 7.205 7.578 -6.728
116 2HG2 THR 12 2HG2 THR 12 6.268 8.905 -7.413
117 3HG2 THR 12 3HG2 THR 12 7.606 8.208 -8.326
118 H ILE 13 H ILE 13 8.689 6.269 -5.596
119 HA ILE 13 HA ILE 13 10.750 5.645 -7.599
120 HB ILE 13 HB ILE 13 11.785 3.985 -6.339
121 1HG1 ILE 13 1HG1 ILE 13 9.401 4.091 -4.484
122 2HG1 ILE 13 2HG1 ILE 13 9.829 2.784 -5.580
123 1HG2 ILE 13 1HG2 ILE 13 11.386 6.526 -5.079
124 2HG2 ILE 13 2HG2 ILE 13 11.586 5.274 -3.853
125 3HG2 ILE 13 3HG2 ILE 13 12.821 5.500 -5.091
126 1HD1 ILE 13 1HD1 ILE 13 12.029 3.228 -3.858
127 2HD1 ILE 13 2HD1 ILE 13 10.564 3.141 -2.877
128 3HD1 ILE 13 3HD1 ILE 13 10.977 1.817 -3.971
129 H THR 14 H THR 14 10.231 4.039 -8.999
130 HA THR 14 HA THR 14 7.532 2.934 -8.778
131 HB THR 14 HB THR 14 8.660 2.085 -11.203
132 HG1 THR 14 HG1 THR 14 9.218 4.281 -12.019
133 1HG2 THR 14 1HG2 THR 14 6.495 3.761 -10.236
134 2HG2 THR 14 2HG2 THR 14 7.123 4.311 -11.791
135 3HG2 THR 14 3HG2 THR 14 6.542 2.653 -11.610
136 H LEU 15 H LEU 15 7.098 0.745 -8.818
137 HA LEU 15 HA LEU 15 9.182 -1.204 -9.122
138 1HB LEU 15 1HB LEU 15 9.569 -0.334 -6.826
139 2HB LEU 15 2HB LEU 15 7.944 -0.813 -6.392
140 HG LEU 15 HG LEU 15 10.090 -2.747 -7.261
141 1HD1 LEU 15 1HD1 LEU 15 9.221 -1.808 -4.543
142 2HD1 LEU 15 2HD1 LEU 15 10.030 -3.355 -4.796
143 3HD1 LEU 15 3HD1 LEU 15 10.850 -1.852 -5.219
144 1HD2 LEU 15 1HD2 LEU 15 7.266 -3.004 -6.353
145 2HD2 LEU 15 2HD2 LEU 15 8.129 -3.873 -7.625
146 3HD2 LEU 15 3HD2 LEU 15 8.430 -4.264 -5.931
147 H GLU 16 H GLU 16 8.153 -2.681 -10.280
148 HA GLU 16 HA GLU 16 5.300 -3.063 -10.017
149 1HB GLU 16 1HB GLU 16 5.527 -4.454 -12.026
150 2HB GLU 16 2HB GLU 16 6.280 -2.877 -12.239
151 1HG GLU 16 1HG GLU 16 8.473 -3.861 -11.836
152 2HG GLU 16 2HG GLU 16 7.730 -5.438 -11.602
153 H VAL 17 H VAL 17 4.283 -4.796 -9.214
154 HA VAL 17 HA VAL 17 5.633 -7.287 -8.664
155 HB VAL 17 HB VAL 17 4.857 -7.235 -6.228
156 1HG1 VAL 17 1HG1 VAL 17 3.530 -5.141 -6.523
157 2HG1 VAL 17 2HG1 VAL 17 4.632 -5.136 -5.146
158 3HG1 VAL 17 3HG1 VAL 17 5.059 -4.264 -6.620
159 1HG2 VAL 17 1HG2 VAL 17 7.179 -5.583 -7.170
160 2HG2 VAL 17 2HG2 VAL 17 6.925 -6.053 -5.489
161 3HG2 VAL 17 3HG2 VAL 17 7.176 -7.288 -6.722
162 H GLU 18 H GLU 18 4.176 -8.983 -8.118
163 HA GLU 18 HA GLU 18 1.583 -8.647 -9.260
164 1HB GLU 18 1HB GLU 18 2.767 -10.988 -7.760
165 2HB GLU 18 2HB GLU 18 1.264 -11.023 -8.672
166 1HG GLU 18 1HG GLU 18 2.486 -10.543 -10.724
167 2HG GLU 18 2HG GLU 18 3.996 -10.481 -9.813
168 HA PRO 19 HA PRO 19 -0.730 -7.290 -5.739
169 1HB PRO 19 1HB PRO 19 -3.087 -8.619 -6.372
170 2HB PRO 19 2HB PRO 19 -2.623 -7.030 -6.968
171 1HG PRO 19 1HG PRO 19 -2.363 -9.695 -8.279
172 2HG PRO 19 2HG PRO 19 -2.826 -8.139 -8.989
173 1HD PRO 19 1HD PRO 19 -0.373 -9.116 -9.344
174 2HD PRO 19 2HD PRO 19 -0.629 -7.382 -9.056
175 H SER 20 H SER 20 -0.668 -10.682 -6.682
176 HA SER 20 HA SER 20 -1.737 -11.759 -4.308
177 1HB SER 20 1HB SER 20 0.175 -12.982 -6.314
178 2HB SER 20 2HB SER 20 -0.660 -13.878 -5.046
179 HG SER 20 HG SER 20 -2.311 -13.975 -6.314
180 H ASP 21 H ASP 21 1.454 -10.689 -5.221
181 HA ASP 21 HA ASP 21 2.980 -11.915 -3.239
182 1HB ASP 21 1HB ASP 21 3.292 -9.326 -4.749
183 2HB ASP 21 2HB ASP 21 4.465 -9.825 -3.532
184 H THR 22 H THR 22 3.156 -11.661 -1.121
185 HA THR 22 HA THR 22 1.333 -10.219 0.402
186 HB THR 22 HB THR 22 2.783 -10.675 2.335
187 HG1 THR 22 HG1 THR 22 4.853 -10.667 1.865
188 1HG2 THR 22 1HG2 THR 22 1.315 -12.442 1.478
189 2HG2 THR 22 2HG2 THR 22 2.612 -13.002 0.423
190 3HG2 THR 22 3HG2 THR 22 2.793 -13.105 2.174
191 H ILE 23 H ILE 23 1.522 -8.397 1.729
192 HA ILE 23 HA ILE 23 2.711 -6.132 0.598
193 HB ILE 23 HB ILE 23 1.890 -6.545 3.481
194 1HG1 ILE 23 1HG1 ILE 23 0.354 -5.378 1.147
195 2HG1 ILE 23 2HG1 ILE 23 0.061 -6.953 1.878
196 1HG2 ILE 23 1HG2 ILE 23 3.294 -4.424 2.326
197 2HG2 ILE 23 2HG2 ILE 23 1.632 -3.856 2.490
198 3HG2 ILE 23 3HG2 ILE 23 2.503 -4.451 3.902
199 1HD1 ILE 23 1HD1 ILE 23 -0.158 -4.369 3.394
200 2HD1 ILE 23 2HD1 ILE 23 -1.513 -5.135 2.564
201 3HD1 ILE 23 3HD1 ILE 23 -0.706 -5.970 3.892
202 H GLU 24 H GLU 24 3.856 -8.480 2.882
203 HA GLU 24 HA GLU 24 6.081 -7.092 3.892
204 1HB GLU 24 1HB GLU 24 5.371 -8.972 5.107
205 2HB GLU 24 2HB GLU 24 5.325 -9.991 3.678
206 1HG GLU 24 1HG GLU 24 7.717 -10.034 3.572
207 2HG GLU 24 2HG GLU 24 7.831 -8.901 4.918
208 H ASN 25 H ASN 25 5.600 -9.107 1.043
209 HA ASN 25 HA ASN 25 8.365 -9.233 0.336
210 1HB ASN 25 1HB ASN 25 5.873 -9.771 -1.288
211 2HB ASN 25 2HB ASN 25 7.510 -10.102 -1.839
212 1HD2 ASN 25 2HD2 ASN 25 7.565 -10.634 1.386
213 2HD2 ASN 25 1HD2 ASN 25 7.222 -12.327 1.409
214 H VAL 26 H VAL 26 5.607 -7.322 -0.861
215 HA VAL 26 HA VAL 26 6.957 -5.945 -2.868
216 HB VAL 26 HB VAL 26 5.206 -4.254 -2.730
217 1HG1 VAL 26 1HG1 VAL 26 4.896 -6.818 -3.461
218 2HG1 VAL 26 2HG1 VAL 26 3.631 -6.693 -2.238
219 3HG1 VAL 26 3HG1 VAL 26 3.633 -5.598 -3.621
220 1HG2 VAL 26 1HG2 VAL 26 5.072 -4.100 -0.279
221 2HG2 VAL 26 2HG2 VAL 26 3.489 -4.309 -1.028
222 3HG2 VAL 26 3HG2 VAL 26 4.280 -5.675 -0.242
223 H LYS 27 H LYS 27 6.570 -5.145 0.565
224 HA LYS 27 HA LYS 27 7.978 -2.672 0.375
225 1HB LYS 27 1HB LYS 27 7.366 -4.382 2.793
226 2HB LYS 27 2HB LYS 27 7.983 -2.738 2.847
227 1HG LYS 27 1HG LYS 27 5.937 -1.993 1.650
228 2HG LYS 27 2HG LYS 27 5.314 -3.637 1.786
229 1HD LYS 27 1HD LYS 27 6.064 -1.840 4.092
230 2HD LYS 27 2HD LYS 27 4.422 -2.179 3.543
231 1HE LYS 27 1HE LYS 27 4.765 -4.561 4.042
232 2HE LYS 27 2HE LYS 27 6.384 -4.191 4.630
233 1HZ LYS 27 1HZ LYS 27 4.039 -2.835 5.787
234 2HZ LYS 27 2HZ LYS 27 4.471 -4.385 6.310
235 3HZ LYS 27 3HZ LYS 27 5.561 -3.102 6.473
236 H ALA 28 H ALA 28 8.872 -5.990 1.087
237 HA ALA 28 HA ALA 28 11.407 -5.611 2.161
238 1HB ALA 28 1HB ALA 28 11.405 -7.876 0.393
239 2HB ALA 28 2HB ALA 28 9.888 -7.788 1.287
240 3HB ALA 28 3HB ALA 28 11.421 -7.829 2.155
241 H LYS 29 H LYS 29 10.367 -5.634 -1.213
242 HA LYS 29 HA LYS 29 12.956 -5.561 -2.366
243 1HB LYS 29 1HB LYS 29 10.468 -4.342 -3.569
244 2HB LYS 29 2HB LYS 29 11.857 -5.012 -4.410
245 1HG LYS 29 1HG LYS 29 11.251 -7.248 -3.633
246 2HG LYS 29 2HG LYS 29 9.857 -6.568 -2.789
247 1HD LYS 29 1HD LYS 29 9.158 -7.516 -4.907
248 2HD LYS 29 2HD LYS 29 8.974 -5.764 -4.943
249 1HE LYS 29 1HE LYS 29 11.084 -5.566 -6.166
250 2HE LYS 29 2HE LYS 29 11.270 -7.319 -6.127
251 1HZ LYS 29 1HZ LYS 29 9.053 -5.853 -7.453
252 2HZ LYS 29 2HZ LYS 29 10.372 -6.561 -8.240
253 3HZ LYS 29 3HZ LYS 29 9.251 -7.534 -7.429
254 H ILE 30 H ILE 30 10.688 -3.123 -1.250
255 HA ILE 30 HA ILE 30 11.915 -0.828 -2.222
256 HB ILE 30 HB ILE 30 10.495 -1.187 0.423
257 1HG1 ILE 30 1HG1 ILE 30 9.140 -1.860 -1.522
258 2HG1 ILE 30 2HG1 ILE 30 8.504 -0.404 -0.767
259 1HG2 ILE 30 1HG2 ILE 30 11.931 0.892 0.116
260 2HG2 ILE 30 2HG2 ILE 30 10.781 1.371 -1.131
261 3HG2 ILE 30 3HG2 ILE 30 10.237 1.151 0.532
262 1HD1 ILE 30 1HD1 ILE 30 9.648 0.929 -2.522
263 2HD1 ILE 30 2HD1 ILE 30 10.091 -0.584 -3.312
264 3HD1 ILE 30 3HD1 ILE 30 8.392 -0.148 -3.132
265 H GLN 31 H GLN 31 12.743 -2.924 0.449
266 HA GLN 31 HA GLN 31 14.593 -1.275 1.791
267 1HB GLN 31 1HB GLN 31 14.716 -4.283 1.453
268 2HB GLN 31 2HB GLN 31 15.486 -3.338 2.721
269 1HG GLN 31 1HG GLN 31 13.353 -2.774 3.668
270 2HG GLN 31 2HG GLN 31 12.513 -3.564 2.331
271 1HE2 GLN 31 2HE2 GLN 31 13.592 -3.918 5.427
272 2HE2 GLN 31 1HE2 GLN 31 13.551 -5.640 5.550
273 H ASP 32 H ASP 32 14.964 -3.755 -0.693
274 HA ASP 32 HA ASP 32 17.703 -3.409 -1.160
275 1HB ASP 32 1HB ASP 32 16.409 -5.369 -1.945
276 2HB ASP 32 2HB ASP 32 15.575 -4.336 -3.101
277 H LYS 33 H LYS 33 14.851 -1.827 -2.350
278 HA LYS 33 HA LYS 33 15.992 -0.363 -4.465
279 1HB LYS 33 1HB LYS 33 13.523 0.083 -2.789
280 2HB LYS 33 2HB LYS 33 13.945 1.099 -4.162
281 1HG LYS 33 1HG LYS 33 13.426 -1.867 -4.259
282 2HG LYS 33 2HG LYS 33 12.299 -0.603 -4.753
283 1HD LYS 33 1HD LYS 33 13.866 0.127 -6.482
284 2HD LYS 33 2HD LYS 33 15.003 -1.128 -5.985
285 1HE LYS 33 1HE LYS 33 13.364 -2.846 -6.567
286 2HE LYS 33 2HE LYS 33 12.222 -1.595 -7.055
287 1HZ LYS 33 1HZ LYS 33 13.774 -0.904 -8.776
288 2HZ LYS 33 2HZ LYS 33 14.865 -2.108 -8.309
289 3HZ LYS 33 3HZ LYS 33 13.362 -2.534 -8.960
290 H GLU 34 H GLU 34 15.794 0.227 -1.007
291 HA GLU 34 HA GLU 34 17.615 2.480 -1.351
292 1HB GLU 34 1HB GLU 34 15.388 3.504 -1.312
293 2HB GLU 34 2HB GLU 34 15.037 2.701 0.212
294 1HG GLU 34 1HG GLU 34 15.602 4.987 0.637
295 2HG GLU 34 2HG GLU 34 16.883 3.951 1.263
296 H GLY 35 H GLY 35 15.702 1.117 1.364
297 1HA GLY 35 1HA GLY 35 18.212 0.954 2.885
298 2HA GLY 35 2HA GLY 35 17.243 -0.498 2.704
299 H ILE 36 H ILE 36 14.777 0.020 3.266
300 HA ILE 36 HA ILE 36 14.854 1.028 5.987
301 HB ILE 36 HB ILE 36 12.446 2.036 5.206
302 1HG1 ILE 36 1HG1 ILE 36 12.911 3.452 3.212
303 2HG1 ILE 36 2HG1 ILE 36 14.430 2.593 2.986
304 1HG2 ILE 36 1HG2 ILE 36 15.063 3.063 5.950
305 2HG2 ILE 36 2HG2 ILE 36 14.114 4.208 5.000
306 3HG2 ILE 36 3HG2 ILE 36 13.455 3.543 6.495
307 1HD1 ILE 36 1HD1 ILE 36 12.046 0.891 3.134
308 2HD1 ILE 36 2HD1 ILE 36 12.137 1.967 1.738
309 3HD1 ILE 36 3HD1 ILE 36 13.438 0.819 2.052
310 HA PRO 37 HA PRO 37 12.727 -2.787 6.859
311 1HB PRO 37 1HB PRO 37 11.541 -0.865 8.835
312 2HB PRO 37 2HB PRO 37 12.061 -2.538 9.085
313 1HG PRO 37 1HG PRO 37 13.630 -0.528 9.826
314 2HG PRO 37 2HG PRO 37 14.321 -1.968 9.056
315 1HD PRO 37 1HD PRO 37 13.946 0.761 7.963
316 2HD PRO 37 2HD PRO 37 15.138 -0.477 7.527
317 HA PRO 38 HA PRO 38 8.906 -2.328 4.633
318 1HB PRO 38 1HB PRO 38 8.020 -4.693 6.178
319 2HB PRO 38 2HB PRO 38 8.138 -4.470 4.431
320 1HG PRO 38 1HG PRO 38 9.885 -6.004 5.741
321 2HG PRO 38 2HG PRO 38 10.395 -4.983 4.383
322 1HD PRO 38 1HD PRO 38 10.726 -4.530 7.324
323 2HD PRO 38 2HD PRO 38 11.866 -4.215 6.001
324 H ASP 39 H ASP 39 8.785 -3.016 8.113
325 HA ASP 39 HA ASP 39 6.116 -2.322 8.553
326 1HB ASP 39 1HB ASP 39 6.795 -1.990 10.918
327 2HB ASP 39 2HB ASP 39 7.395 -3.499 10.239
328 H GLN 40 H GLN 40 9.009 -0.346 8.338
329 HA GLN 40 HA GLN 40 7.949 2.038 9.360
330 1HB GLN 40 1HB GLN 40 10.128 1.568 7.326
331 2HB GLN 40 2HB GLN 40 9.770 3.137 8.035
332 1HG GLN 40 1HG GLN 40 10.434 2.426 10.184
333 2HG GLN 40 2HG GLN 40 10.476 0.736 9.689
334 1HE2 GLN 40 2HE2 GLN 40 11.667 2.205 7.107
335 2HE2 GLN 40 1HE2 GLN 40 13.352 2.222 7.480
336 H GLN 41 H GLN 41 8.021 0.738 6.065
337 HA GLN 41 HA GLN 41 6.994 2.959 4.728
338 1HB GLN 41 1HB GLN 41 6.660 0.021 4.109
339 2HB GLN 41 2HB GLN 41 6.271 1.325 2.994
340 1HG GLN 41 1HG GLN 41 8.586 2.030 2.964
341 2HG GLN 41 2HG GLN 41 8.999 0.794 4.150
342 1HE2 GLN 41 2HE2 GLN 41 10.027 -0.829 3.270
343 2HE2 GLN 41 1HE2 GLN 41 9.725 -1.509 1.711
344 H ARG 42 H ARG 42 5.071 3.907 4.722
345 HA ARG 42 HA ARG 42 2.922 2.734 6.234
346 1HB ARG 42 1HB ARG 42 3.463 5.080 6.602
347 2HB ARG 42 2HB ARG 42 3.157 5.432 4.907
348 1HG ARG 42 1HG ARG 42 0.814 4.862 5.190
349 2HG ARG 42 2HG ARG 42 1.106 4.448 6.879
350 1HD ARG 42 1HD ARG 42 1.555 7.177 5.677
351 2HD ARG 42 2HD ARG 42 0.108 6.698 6.560
352 HE ARG 42 HE ARG 42 1.275 6.868 8.533
353 1HH1 ARG 42 1HH1 ARG 42 3.490 7.134 5.851
354 2HH1 ARG 42 2HH1 ARG 42 4.840 7.562 6.847
355 1HH2 ARG 42 1HH2 ARG 42 3.046 7.434 9.843
356 2HH2 ARG 42 2HH2 ARG 42 4.589 7.732 9.114
357 H LEU 43 H LEU 43 1.219 1.720 5.415
358 HA LEU 43 HA LEU 43 0.984 1.344 2.581
359 1HB LEU 43 1HB LEU 43 -0.698 0.438 4.911
360 2HB LEU 43 2HB LEU 43 -1.104 0.065 3.252
361 HG LEU 43 HG LEU 43 0.019 -1.813 4.350
362 1HD1 LEU 43 1HD1 LEU 43 2.338 0.089 4.643
363 2HD1 LEU 43 2HD1 LEU 43 1.375 -0.602 5.949
364 3HD1 LEU 43 3HD1 LEU 43 2.391 -1.647 4.957
365 1HD2 LEU 43 1HD2 LEU 43 1.218 -0.432 2.015
366 2HD2 LEU 43 2HD2 LEU 43 2.082 -1.814 2.690
367 3HD2 LEU 43 3HD2 LEU 43 0.423 -2.004 2.122
368 H ILE 44 H ILE 44 -0.300 2.385 1.181
369 HA ILE 44 HA ILE 44 -2.524 3.985 2.187
370 HB ILE 44 HB ILE 44 -0.331 5.126 0.461
371 1HG1 ILE 44 1HG1 ILE 44 -1.271 5.846 3.246
372 2HG1 ILE 44 2HG1 ILE 44 0.215 4.985 2.860
373 1HG2 ILE 44 1HG2 ILE 44 -2.978 6.283 1.318
374 2HG2 ILE 44 2HG2 ILE 44 -1.658 7.237 0.640
375 3HG2 ILE 44 3HG2 ILE 44 -2.422 5.976 -0.327
376 1HD1 ILE 44 1HD1 ILE 44 0.144 7.424 1.392
377 2HD1 ILE 44 2HD1 ILE 44 -0.178 7.749 3.096
378 3HD1 ILE 44 3HD1 ILE 44 1.289 6.891 2.623
379 H PHE 45 H PHE 45 -4.250 4.027 0.858
380 HA PHE 45 HA PHE 45 -3.928 3.008 -1.884
381 1HB PHE 45 1HB PHE 45 -6.187 2.257 -0.017
382 2HB PHE 45 2HB PHE 45 -5.927 1.654 -1.650
383 HD1 PHE 45 HD1 PHE 45 -4.322 1.759 1.708
384 HD2 PHE 45 HD2 PHE 45 -4.789 -0.326 -1.972
385 HE1 PHE 45 HE1 PHE 45 -3.025 -0.122 2.616
386 HE2 PHE 45 HE2 PHE 45 -3.495 -2.212 -1.070
387 HZ PHE 45 HZ PHE 45 -2.610 -2.114 1.226
388 H ALA 46 H ALA 46 -5.216 3.974 -3.449
389 HA ALA 46 HA ALA 46 -7.398 5.712 -2.641
390 1HB ALA 46 1HB ALA 46 -6.250 7.604 -2.580
391 2HB ALA 46 2HB ALA 46 -5.887 7.400 -4.293
392 3HB ALA 46 3HB ALA 46 -4.775 6.775 -3.076
393 H GLY 47 H GLY 47 -8.971 5.453 -4.063
394 1HA GLY 47 1HA GLY 47 -10.059 4.723 -5.968
395 2HA GLY 47 2HA GLY 47 -8.514 4.180 -6.598
396 H LYS 48 H LYS 48 -10.908 5.910 -7.568
397 HA LYS 48 HA LYS 48 -9.386 7.559 -9.323
398 1HB LYS 48 1HB LYS 48 -11.597 6.549 -9.907
399 2HB LYS 48 2HB LYS 48 -12.354 7.667 -8.781
400 1HG LYS 48 1HG LYS 48 -12.562 8.465 -11.062
401 2HG LYS 48 2HG LYS 48 -11.553 9.555 -10.111
402 1HD LYS 48 1HD LYS 48 -9.545 8.533 -11.062
403 2HD LYS 48 2HD LYS 48 -10.550 7.433 -12.007
404 1HE LYS 48 1HE LYS 48 -10.529 10.440 -12.238
405 2HE LYS 48 2HE LYS 48 -9.754 9.315 -13.353
406 1HZ LYS 48 1HZ LYS 48 -12.445 8.580 -13.048
407 2HZ LYS 48 2HZ LYS 48 -12.383 10.233 -13.397
408 3HZ LYS 48 3HZ LYS 48 -11.652 9.120 -14.441
409 H GLN 49 H GLN 49 -8.175 8.664 -7.660
410 HA GLN 49 HA GLN 49 -9.408 10.565 -5.974
411 1HB GLN 49 1HB GLN 49 -7.126 11.528 -5.800
412 2HB GLN 49 2HB GLN 49 -7.166 9.795 -5.518
413 1HG GLN 49 1HG GLN 49 -6.335 9.384 -7.757
414 2HG GLN 49 2HG GLN 49 -6.339 11.116 -8.089
415 1HE2 GLN 49 2HE2 GLN 49 -4.455 12.067 -7.899
416 2HE2 GLN 49 1HE2 GLN 49 -3.155 11.567 -6.879
417 H LEU 50 H LEU 50 -10.831 11.820 -7.044
418 HA LEU 50 HA LEU 50 -10.806 12.849 -9.545
419 1HB LEU 50 1HB LEU 50 -11.689 14.385 -7.110
420 2HB LEU 50 2HB LEU 50 -12.266 14.600 -8.750
421 HG LEU 50 HG LEU 50 -12.635 12.066 -7.157
422 1HD1 LEU 50 1HD1 LEU 50 -13.350 12.945 -9.887
423 2HD1 LEU 50 2HD1 LEU 50 -12.953 11.336 -9.273
424 3HD1 LEU 50 3HD1 LEU 50 -14.559 12.019 -8.998
425 1HD2 LEU 50 1HD2 LEU 50 -13.998 14.586 -6.966
426 2HD2 LEU 50 2HD2 LEU 50 -15.099 13.326 -7.547
427 3HD2 LEU 50 3HD2 LEU 50 -14.225 13.104 -6.021
428 H GLU 51 H GLU 51 -8.573 13.215 -10.035
429 HA GLU 51 HA GLU 51 -6.759 14.520 -10.451
430 1HB GLU 51 1HB GLU 51 -8.418 16.019 -11.394
431 2HB GLU 51 2HB GLU 51 -8.741 16.709 -9.811
432 1HG GLU 51 1HG GLU 51 -6.481 17.615 -9.734
433 2HG GLU 51 2HG GLU 51 -6.135 16.899 -11.306
434 H1 GLY -1 H1 GLY -1 -1.595 -6.491 17.467
435 H2 GLY -1 H2 GLY -1 -2.745 -5.277 17.206
436 H3 GLY -1 H3 GLY -1 -3.043 -6.493 18.342
437 1HA GLY -1 1HA GLY -1 -4.292 -6.841 16.278
438 2HA GLY -1 2HA GLY -1 -3.191 -8.157 16.649
439 H SER 0 H SER 0 -4.381 -6.849 14.121
440 HA SER 0 HA SER 0 -2.183 -7.423 12.427
441 1HB SER 0 1HB SER 0 -4.814 -6.061 11.805
442 2HB SER 0 2HB SER 0 -3.678 -6.675 10.604
443 HG SER 0 HG SER 0 -5.573 -8.040 11.444
444 H MET 1 H MET 1 -3.415 -4.819 10.894
445 HA MET 1 HA MET 1 -1.922 -2.723 12.175
446 1HB MET 1 1HB MET 1 -0.447 -2.341 10.171
447 2HB MET 1 2HB MET 1 -0.047 -3.755 11.133
448 1HG MET 1 1HG MET 1 -1.066 -5.209 9.526
449 2HG MET 1 2HG MET 1 -1.676 -3.832 8.608
450 1HE MET 1 1HE MET 1 -0.241 -1.975 7.995
451 2HE MET 1 2HE MET 1 1.502 -1.944 8.273
452 3HE MET 1 3HE MET 1 0.869 -2.389 6.688
453 H GLN 2 H GLN 2 -3.206 -1.029 11.950
454 HA GLN 2 HA GLN 2 -5.280 -0.827 10.070
455 1HB GLN 2 1HB GLN 2 -5.559 1.456 10.879
456 2HB GLN 2 2HB GLN 2 -5.286 0.360 12.224
457 1HG GLN 2 1HG GLN 2 -2.903 1.060 12.234
458 2HG GLN 2 2HG GLN 2 -3.298 2.251 10.998
459 1HE2 GLN 2 2HE2 GLN 2 -5.953 1.974 12.919
460 2HE2 GLN 2 1HE2 GLN 2 -5.643 3.262 14.023
461 H ILE 3 H ILE 3 -5.334 -0.133 8.035
462 HA ILE 3 HA ILE 3 -2.880 0.972 6.878
463 HB ILE 3 HB ILE 3 -3.876 0.389 4.689
464 1HG1 ILE 3 1HG1 ILE 3 -6.053 -0.887 6.358
465 2HG1 ILE 3 2HG1 ILE 3 -6.245 0.543 5.351
466 1HG2 ILE 3 1HG2 ILE 3 -2.491 -1.183 6.248
467 2HG2 ILE 3 2HG2 ILE 3 -3.999 -2.093 6.337
468 3HG2 ILE 3 3HG2 ILE 3 -3.228 -1.815 4.775
469 1HD1 ILE 3 1HD1 ILE 3 -5.164 -1.494 3.724
470 2HD1 ILE 3 2HD1 ILE 3 -6.507 -2.186 4.634
471 3HD1 ILE 3 3HD1 ILE 3 -6.762 -0.750 3.642
472 H PHE 4 H PHE 4 -2.818 2.936 5.904
473 HA PHE 4 HA PHE 4 -5.095 4.689 6.347
474 1HB PHE 4 1HB PHE 4 -2.293 5.240 5.352
475 2HB PHE 4 2HB PHE 4 -3.525 6.476 5.562
476 HD1 PHE 4 HD1 PHE 4 -3.102 7.795 7.363
477 HD2 PHE 4 HD2 PHE 4 -2.311 3.626 7.652
478 HE1 PHE 4 HE1 PHE 4 -2.410 8.093 9.704
479 HE2 PHE 4 HE2 PHE 4 -1.621 3.913 9.995
480 HZ PHE 4 HZ PHE 4 -1.670 6.151 11.025
481 H VAL 5 H VAL 5 -6.527 5.147 4.802
482 HA VAL 5 HA VAL 5 -5.709 5.213 2.025
483 HB VAL 5 HB VAL 5 -6.254 2.964 1.955
484 1HG1 VAL 5 1HG1 VAL 5 -8.038 3.632 4.169
485 2HG1 VAL 5 2HG1 VAL 5 -8.678 2.419 3.062
486 3HG1 VAL 5 3HG1 VAL 5 -7.121 2.160 3.849
487 1HG2 VAL 5 1HG2 VAL 5 -8.101 4.769 0.799
488 2HG2 VAL 5 2HG2 VAL 5 -7.647 3.160 0.243
489 3HG2 VAL 5 3HG2 VAL 5 -9.002 3.358 1.351
490 H LYS 6 H LYS 6 -6.904 6.540 0.779
491 HA LYS 6 HA LYS 6 -8.960 8.099 2.160
492 1HB LYS 6 1HB LYS 6 -7.410 8.721 -0.358
493 2HB LYS 6 2HB LYS 6 -8.557 9.795 0.432
494 1HG LYS 6 1HG LYS 6 -7.137 9.898 2.399
495 2HG LYS 6 2HG LYS 6 -5.989 8.790 1.641
496 1HD LYS 6 1HD LYS 6 -5.615 10.412 -0.152
497 2HD LYS 6 2HD LYS 6 -6.755 11.521 0.613
498 1HE LYS 6 1HE LYS 6 -4.175 10.519 1.814
499 2HE LYS 6 2HE LYS 6 -4.448 12.125 1.138
500 1HZ LYS 6 1HZ LYS 6 -6.194 12.437 2.845
501 2HZ LYS 6 2HZ LYS 6 -5.744 10.963 3.543
502 3HZ LYS 6 3HZ LYS 6 -4.644 12.248 3.498
503 H THR 7 H THR 7 -11.021 8.228 1.455
504 HA THR 7 HA THR 7 -12.007 6.244 -0.320
505 HB THR 7 HB THR 7 -14.199 7.317 -0.010
506 HG1 THR 7 HG1 THR 7 -13.263 9.513 0.071
507 1HG2 THR 7 1HG2 THR 7 -12.467 6.393 2.113
508 2HG2 THR 7 2HG2 THR 7 -13.677 7.521 2.720
509 3HG2 THR 7 3HG2 THR 7 -14.180 6.074 1.845
510 H LEU 8 H LEU 8 -14.054 7.775 -1.628
511 HA LEU 8 HA LEU 8 -12.835 8.281 -4.089
512 1HB LEU 8 1HB LEU 8 -15.499 9.186 -3.001
513 2HB LEU 8 2HB LEU 8 -15.019 9.350 -4.680
514 HG LEU 8 HG LEU 8 -15.079 6.675 -3.302
515 1HD1 LEU 8 1HD1 LEU 8 -14.828 7.658 -6.103
516 2HD1 LEU 8 2HD1 LEU 8 -13.901 6.419 -5.256
517 3HD1 LEU 8 3HD1 LEU 8 -15.547 6.078 -5.789
518 1HD2 LEU 8 1HD2 LEU 8 -17.315 8.316 -3.926
519 2HD2 LEU 8 2HD2 LEU 8 -17.284 6.944 -5.033
520 3HD2 LEU 8 3HD2 LEU 8 -17.286 6.671 -3.291
521 H THR 9 H THR 9 -14.126 10.613 -1.713
522 HA THR 9 HA THR 9 -13.064 12.868 -3.136
523 HB THR 9 HB THR 9 -13.774 14.186 -1.172
524 HG1 THR 9 HG1 THR 9 -13.523 12.895 0.572
525 1HG2 THR 9 1HG2 THR 9 -15.675 12.222 -2.407
526 2HG2 THR 9 2HG2 THR 9 -16.238 13.395 -1.218
527 3HG2 THR 9 3HG2 THR 9 -15.500 13.948 -2.720
528 H GLY 10 H GLY 10 -12.205 11.124 -0.171
529 1HA GLY 10 1HA GLY 10 -9.731 12.683 0.038
530 2HA GLY 10 2HA GLY 10 -9.597 10.947 -0.188
531 H LYS 11 H LYS 11 -11.955 10.352 1.428
532 HA LYS 11 HA LYS 11 -11.438 11.387 4.065
533 1HB LYS 11 1HB LYS 11 -13.718 10.827 3.400
534 2HB LYS 11 2HB LYS 11 -13.249 9.155 3.126
535 1HG LYS 11 1HG LYS 11 -12.717 8.939 5.522
536 2HG LYS 11 2HG LYS 11 -13.277 10.593 5.771
537 1HD LYS 11 1HD LYS 11 -15.499 9.958 4.955
538 2HD LYS 11 2HD LYS 11 -14.936 8.304 4.722
539 1HE LYS 11 1HE LYS 11 -16.179 8.526 6.810
540 2HE LYS 11 2HE LYS 11 -14.493 8.104 7.110
541 1HZ LYS 11 1HZ LYS 11 -15.285 10.932 7.123
542 2HZ LYS 11 2HZ LYS 11 -15.637 9.977 8.474
543 3HZ LYS 11 3HZ LYS 11 -14.034 10.164 7.964
544 H THR 12 H THR 12 -10.093 10.579 5.541
545 HA THR 12 HA THR 12 -8.444 8.325 4.929
546 HB THR 12 HB THR 12 -8.689 9.870 7.520
547 HG1 THR 12 HG1 THR 12 -6.653 10.785 6.642
548 1HG2 THR 12 1HG2 THR 12 -7.097 7.547 6.722
549 2HG2 THR 12 2HG2 THR 12 -6.134 8.875 7.371
550 3HG2 THR 12 3HG2 THR 12 -7.443 8.184 8.330
551 H ILE 13 H ILE 13 -8.556 6.261 5.667
552 HA ILE 13 HA ILE 13 -10.512 5.601 7.740
553 HB ILE 13 HB ILE 13 -11.887 5.194 5.898
554 1HG1 ILE 13 1HG1 ILE 13 -10.465 2.618 6.585
555 2HG1 ILE 13 2HG1 ILE 13 -11.913 3.271 7.343
556 1HG2 ILE 13 1HG2 ILE 13 -9.784 5.342 4.338
557 2HG2 ILE 13 2HG2 ILE 13 -9.908 3.582 4.379
558 3HG2 ILE 13 3HG2 ILE 13 -11.265 4.550 3.801
559 1HD1 ILE 13 1HD1 ILE 13 -11.827 2.516 4.445
560 2HD1 ILE 13 2HD1 ILE 13 -12.232 1.365 5.716
561 3HD1 ILE 13 3HD1 ILE 13 -13.237 2.792 5.467
562 H THR 14 H THR 14 -9.664 4.283 9.176
563 HA THR 14 HA THR 14 -7.153 2.946 8.627
564 HB THR 14 HB THR 14 -7.539 2.145 11.083
565 HG1 THR 14 HG1 THR 14 -8.818 4.175 11.971
566 1HG2 THR 14 1HG2 THR 14 -6.274 4.344 9.914
567 2HG2 THR 14 2HG2 THR 14 -7.125 4.986 11.321
568 3HG2 THR 14 3HG2 THR 14 -5.974 3.662 11.513
569 H LEU 15 H LEU 15 -6.798 0.735 8.773
570 HA LEU 15 HA LEU 15 -8.955 -1.099 9.239
571 1HB LEU 15 1HB LEU 15 -9.650 -0.690 7.061
572 2HB LEU 15 2HB LEU 15 -8.017 -0.454 6.472
573 HG LEU 15 HG LEU 15 -7.601 -2.846 6.545
574 1HD1 LEU 15 1HD1 LEU 15 -10.152 -2.058 5.160
575 2HD1 LEU 15 2HD1 LEU 15 -8.515 -2.034 4.502
576 3HD1 LEU 15 3HD1 LEU 15 -9.298 -3.573 4.867
577 1HD2 LEU 15 1HD2 LEU 15 -9.892 -2.853 8.268
578 2HD2 LEU 15 2HD2 LEU 15 -10.124 -3.978 6.929
579 3HD2 LEU 15 3HD2 LEU 15 -8.706 -4.123 7.968
580 H GLU 16 H GLU 16 -7.953 -2.560 10.440
581 HA GLU 16 HA GLU 16 -5.146 -3.096 10.145
582 1HB GLU 16 1HB GLU 16 -5.449 -4.608 12.057
583 2HB GLU 16 2HB GLU 16 -6.125 -3.016 12.371
584 1HG GLU 16 1HG GLU 16 -8.362 -3.872 11.893
585 2HG GLU 16 2HG GLU 16 -7.683 -5.467 11.587
586 H VAL 17 H VAL 17 -4.182 -4.909 9.369
587 HA VAL 17 HA VAL 17 -5.577 -7.291 8.689
588 HB VAL 17 HB VAL 17 -6.498 -6.035 6.882
589 1HG1 VAL 17 1HG1 VAL 17 -5.175 -8.328 6.490
590 2HG1 VAL 17 2HG1 VAL 17 -6.077 -7.492 5.225
591 3HG1 VAL 17 3HG1 VAL 17 -4.327 -7.292 5.342
592 1HG2 VAL 17 1HG2 VAL 17 -4.098 -4.586 7.025
593 2HG2 VAL 17 2HG2 VAL 17 -4.186 -5.265 5.399
594 3HG2 VAL 17 3HG2 VAL 17 -5.505 -4.268 6.010
595 H GLU 18 H GLU 18 -4.158 -8.933 8.527
596 HA GLU 18 HA GLU 18 -1.489 -8.620 9.212
597 1HB GLU 18 1HB GLU 18 -2.733 -10.939 7.729
598 2HB GLU 18 2HB GLU 18 -1.209 -10.975 8.604
599 1HG GLU 18 1HG GLU 18 -2.407 -10.505 10.689
600 2HG GLU 18 2HG GLU 18 -3.930 -10.507 9.801
601 HA PRO 19 HA PRO 19 0.581 -7.297 5.528
602 1HB PRO 19 1HB PRO 19 3.025 -8.417 6.049
603 2HB PRO 19 2HB PRO 19 2.458 -6.916 6.778
604 1HG PRO 19 1HG PRO 19 2.420 -9.693 7.887
605 2HG PRO 19 2HG PRO 19 2.901 -8.179 8.671
606 1HD PRO 19 1HD PRO 19 0.499 -9.240 9.117
607 2HD PRO 19 2HD PRO 19 0.692 -7.486 8.956
608 H SER 20 H SER 20 0.734 -10.654 6.576
609 HA SER 20 HA SER 20 1.790 -11.756 4.211
610 1HB SER 20 1HB SER 20 1.690 -12.975 6.363
611 2HB SER 20 2HB SER 20 -0.066 -13.052 6.226
612 HG SER 20 HG SER 20 1.762 -14.678 5.164
613 H ASP 21 H ASP 21 -1.305 -10.527 5.018
614 HA ASP 21 HA ASP 21 -2.873 -11.981 3.164
615 1HB ASP 21 1HB ASP 21 -3.279 -9.274 4.442
616 2HB ASP 21 2HB ASP 21 -4.476 -10.048 3.409
617 H THR 22 H THR 22 -3.211 -11.733 1.043
618 HA THR 22 HA THR 22 -1.416 -10.327 -0.566
619 HB THR 22 HB THR 22 -2.937 -10.806 -2.443
620 HG1 THR 22 HG1 THR 22 -4.985 -10.760 -1.850
621 1HG2 THR 22 1HG2 THR 22 -1.422 -12.554 -1.610
622 2HG2 THR 22 2HG2 THR 22 -2.690 -13.122 -0.525
623 3HG2 THR 22 3HG2 THR 22 -2.911 -13.229 -2.272
624 H ILE 23 H ILE 23 -1.615 -8.487 -1.844
625 HA ILE 23 HA ILE 23 -2.793 -6.236 -0.697
626 HB ILE 23 HB ILE 23 -2.063 -6.651 -3.604
627 1HG1 ILE 23 1HG1 ILE 23 -0.459 -5.490 -1.313
628 2HG1 ILE 23 2HG1 ILE 23 -0.183 -7.057 -2.067
629 1HG2 ILE 23 1HG2 ILE 23 -3.435 -4.532 -2.409
630 2HG2 ILE 23 2HG2 ILE 23 -1.780 -3.960 -2.622
631 3HG2 ILE 23 3HG2 ILE 23 -2.691 -4.559 -4.009
632 1HD1 ILE 23 1HD1 ILE 23 -0.016 -4.454 -3.561
633 2HD1 ILE 23 2HD1 ILE 23 1.365 -5.230 -2.784
634 3HD1 ILE 23 3HD1 ILE 23 0.515 -6.049 -4.095
635 H GLU 24 H GLU 24 -4.013 -8.591 -2.938
636 HA GLU 24 HA GLU 24 -6.264 -7.211 -3.891
637 1HB GLU 24 1HB GLU 24 -5.470 -9.193 -5.005
638 2HB GLU 24 2HB GLU 24 -5.698 -10.159 -3.555
639 1HG GLU 24 1HG GLU 24 -8.094 -9.856 -3.709
640 2HG GLU 24 2HG GLU 24 -7.886 -8.853 -5.142
641 H ASN 25 H ASN 25 -5.718 -9.194 -1.027
642 HA ASN 25 HA ASN 25 -8.454 -9.276 -0.230
643 1HB ASN 25 1HB ASN 25 -5.923 -9.806 1.335
644 2HB ASN 25 2HB ASN 25 -7.547 -10.124 1.927
645 1HD2 ASN 25 2HD2 ASN 25 -7.686 -10.696 -1.287
646 2HD2 ASN 25 1HD2 ASN 25 -7.346 -12.390 -1.300
647 H VAL 26 H VAL 26 -5.646 -7.379 0.888
648 HA VAL 26 HA VAL 26 -6.931 -5.964 2.904
649 HB VAL 26 HB VAL 26 -5.189 -4.263 2.668
650 1HG1 VAL 26 1HG1 VAL 26 -4.869 -6.818 3.456
651 2HG1 VAL 26 2HG1 VAL 26 -3.616 -6.704 2.220
652 3HG1 VAL 26 3HG1 VAL 26 -3.617 -5.583 3.582
653 1HG2 VAL 26 1HG2 VAL 26 -5.110 -4.183 0.217
654 2HG2 VAL 26 2HG2 VAL 26 -3.509 -4.387 0.929
655 3HG2 VAL 26 3HG2 VAL 26 -4.335 -5.767 0.204
656 H LYS 27 H LYS 27 -6.631 -5.177 -0.544
657 HA LYS 27 HA LYS 27 -8.037 -2.711 -0.336
658 1HB LYS 27 1HB LYS 27 -7.515 -4.446 -2.757
659 2HB LYS 27 2HB LYS 27 -8.118 -2.795 -2.802
660 1HG LYS 27 1HG LYS 27 -6.028 -2.061 -1.678
661 2HG LYS 27 2HG LYS 27 -5.425 -3.712 -1.823
662 1HD LYS 27 1HD LYS 27 -6.238 -1.935 -4.120
663 2HD LYS 27 2HD LYS 27 -4.580 -2.268 -3.617
664 1HE LYS 27 1HE LYS 27 -4.946 -4.658 -4.074
665 2HE LYS 27 2HE LYS 27 -6.578 -4.286 -4.627
666 1HZ LYS 27 1HZ LYS 27 -4.255 -2.955 -5.855
667 2HZ LYS 27 2HZ LYS 27 -4.703 -4.511 -6.348
668 3HZ LYS 27 3HZ LYS 27 -5.793 -3.227 -6.504
669 H ALA 28 H ALA 28 -8.958 -6.034 -0.956
670 HA ALA 28 HA ALA 28 -11.535 -5.648 -1.945
671 1HB ALA 28 1HB ALA 28 -11.545 -7.866 -1.955
672 2HB ALA 28 2HB ALA 28 -11.468 -7.923 -0.193
673 3HB ALA 28 3HB ALA 28 -9.982 -7.832 -1.139
674 H LYS 29 H LYS 29 -10.343 -5.655 1.376
675 HA LYS 29 HA LYS 29 -12.867 -5.612 2.658
676 1HB LYS 29 1HB LYS 29 -10.424 -4.247 3.770
677 2HB LYS 29 2HB LYS 29 -11.693 -5.099 4.636
678 1HG LYS 29 1HG LYS 29 -10.863 -7.226 3.699
679 2HG LYS 29 2HG LYS 29 -9.556 -6.336 2.918
680 1HD LYS 29 1HD LYS 29 -8.772 -7.333 4.986
681 2HD LYS 29 2HD LYS 29 -8.785 -5.576 5.129
682 1HE LYS 29 1HE LYS 29 -10.911 -5.685 6.329
683 2HE LYS 29 2HE LYS 29 -10.909 -7.442 6.180
684 1HZ LYS 29 1HZ LYS 29 -8.777 -5.911 7.562
685 2HZ LYS 29 2HZ LYS 29 -10.109 -6.586 8.355
686 3HZ LYS 29 3HZ LYS 29 -9.001 -7.589 7.563
687 H ILE 30 H ILE 30 -10.689 -3.144 1.439
688 HA ILE 30 HA ILE 30 -11.926 -0.857 2.408
689 HB ILE 30 HB ILE 30 -10.586 -1.219 -0.278
690 1HG1 ILE 30 1HG1 ILE 30 -9.139 -1.885 1.594
691 2HG1 ILE 30 2HG1 ILE 30 -8.564 -0.399 0.847
692 1HG2 ILE 30 1HG2 ILE 30 -12.028 0.855 0.106
693 2HG2 ILE 30 2HG2 ILE 30 -10.806 1.340 1.283
694 3HG2 ILE 30 3HG2 ILE 30 -10.361 1.114 -0.410
695 1HD1 ILE 30 1HD1 ILE 30 -9.650 0.879 2.666
696 2HD1 ILE 30 2HD1 ILE 30 -10.063 -0.653 3.438
697 3HD1 ILE 30 3HD1 ILE 30 -8.372 -0.204 3.218
698 H GLN 31 H GLN 31 -12.802 -2.990 -0.226
699 HA GLN 31 HA GLN 31 -14.692 -1.368 -1.540
700 1HB GLN 31 1HB GLN 31 -14.791 -4.371 -1.161
701 2HB GLN 31 2HB GLN 31 -15.616 -3.447 -2.410
702 1HG GLN 31 1HG GLN 31 -13.518 -2.875 -3.436
703 2HG GLN 31 2HG GLN 31 -12.628 -3.658 -2.127
704 1HE2 GLN 31 2HE2 GLN 31 -13.854 -4.028 -5.176
705 2HE2 GLN 31 1HE2 GLN 31 -13.805 -5.749 -5.294
706 H ASP 32 H ASP 32 -15.042 -3.846 0.956
707 HA ASP 32 HA ASP 32 -17.770 -3.440 1.467
708 1HB ASP 32 1HB ASP 32 -16.591 -5.452 2.219
709 2HB ASP 32 2HB ASP 32 -15.607 -4.478 3.309
710 H LYS 33 H LYS 33 -14.876 -1.899 2.550
711 HA LYS 33 HA LYS 33 -15.914 -0.450 4.732
712 1HB LYS 33 1HB LYS 33 -13.505 -0.059 2.965
713 2HB LYS 33 2HB LYS 33 -13.862 0.998 4.326
714 1HG LYS 33 1HG LYS 33 -13.396 -1.974 4.479
715 2HG LYS 33 2HG LYS 33 -12.229 -0.720 4.902
716 1HD LYS 33 1HD LYS 33 -13.729 0.085 6.660
717 2HD LYS 33 2HD LYS 33 -14.899 -1.168 6.236
718 1HE LYS 33 1HE LYS 33 -13.257 -2.890 6.808
719 2HE LYS 33 2HE LYS 33 -12.091 -1.638 7.233
720 1HZ LYS 33 1HZ LYS 33 -13.586 -0.892 8.979
721 2HZ LYS 33 2HZ LYS 33 -14.703 -2.093 8.572
722 3HZ LYS 33 3HZ LYS 33 -13.187 -2.521 9.191
723 H GLU 34 H GLU 34 -15.856 0.157 1.279
724 HA GLU 34 HA GLU 34 -17.645 2.419 1.693
725 1HB GLU 34 1HB GLU 34 -15.417 3.435 1.631
726 2HB GLU 34 2HB GLU 34 -15.092 2.649 0.093
727 1HG GLU 34 1HG GLU 34 -15.648 4.962 -0.262
728 2HG GLU 34 2HG GLU 34 -16.908 3.930 -0.936
729 H GLY 35 H GLY 35 -15.794 0.890 -0.970
730 1HA GLY 35 1HA GLY 35 -18.305 0.835 -2.514
731 2HA GLY 35 2HA GLY 35 -17.351 -0.629 -2.342
732 H ILE 36 H ILE 36 -14.853 -0.041 -2.837
733 HA ILE 36 HA ILE 36 -14.917 1.064 -5.553
734 HB ILE 36 HB ILE 36 -12.378 1.643 -4.330
735 1HG1 ILE 36 1HG1 ILE 36 -13.267 3.568 -2.909
736 2HG1 ILE 36 2HG1 ILE 36 -14.826 2.750 -2.953
737 1HG2 ILE 36 1HG2 ILE 36 -14.424 2.948 -5.982
738 2HG2 ILE 36 2HG2 ILE 36 -13.423 4.035 -5.017
739 3HG2 ILE 36 3HG2 ILE 36 -12.668 2.914 -6.151
740 1HD1 ILE 36 1HD1 ILE 36 -12.639 1.005 -2.159
741 2HD1 ILE 36 2HD1 ILE 36 -12.877 2.378 -1.079
742 3HD1 ILE 36 3HD1 ILE 36 -14.212 1.274 -1.408
743 HA PRO 37 HA PRO 37 -12.956 -2.800 -6.578
744 1HB PRO 37 1HB PRO 37 -11.738 -1.082 -8.695
745 2HB PRO 37 2HB PRO 37 -12.538 -2.648 -8.844
746 1HG PRO 37 1HG PRO 37 -13.803 -0.425 -9.555
747 2HG PRO 37 2HG PRO 37 -14.665 -1.719 -8.701
748 1HD PRO 37 1HD PRO 37 -13.684 0.904 -7.673
749 2HD PRO 37 2HD PRO 37 -15.146 0.000 -7.242
750 HA PRO 38 HA PRO 38 -9.026 -2.460 -4.547
751 1HB PRO 38 1HB PRO 38 -8.303 -4.824 -6.191
752 2HB PRO 38 2HB PRO 38 -8.263 -4.618 -4.439
753 1HG PRO 38 1HG PRO 38 -10.156 -6.093 -5.589
754 2HG PRO 38 2HG PRO 38 -10.532 -5.048 -4.205
755 1HD PRO 38 1HD PRO 38 -11.074 -4.609 -7.116
756 2HD PRO 38 2HD PRO 38 -12.097 -4.243 -5.712
757 H ASP 39 H ASP 39 -9.083 -3.131 -8.031
758 HA ASP 39 HA ASP 39 -6.432 -2.444 -8.587
759 1HB ASP 39 1HB ASP 39 -7.196 -2.167 -10.924
760 2HB ASP 39 2HB ASP 39 -7.786 -3.655 -10.194
761 H GLN 40 H GLN 40 -9.320 -0.456 -8.283
762 HA GLN 40 HA GLN 40 -8.230 1.886 -9.394
763 1HB GLN 40 1HB GLN 40 -10.457 1.518 -7.390
764 2HB GLN 40 2HB GLN 40 -10.075 3.047 -8.173
765 1HG GLN 40 1HG GLN 40 -10.526 2.038 -10.354
766 2HG GLN 40 2HG GLN 40 -10.915 0.513 -9.568
767 1HE2 GLN 40 2HE2 GLN 40 -11.989 2.800 -7.512
768 2HE2 GLN 40 1HE2 GLN 40 -13.615 2.957 -8.062
769 H GLN 41 H GLN 41 -8.244 0.619 -6.093
770 HA GLN 41 HA GLN 41 -7.229 2.889 -4.799
771 1HB GLN 41 1HB GLN 41 -6.911 -0.042 -4.138
772 2HB GLN 41 2HB GLN 41 -6.460 1.270 -3.056
773 1HG GLN 41 1HG GLN 41 -8.747 2.020 -2.940
774 2HG GLN 41 2HG GLN 41 -9.234 0.819 -4.132
775 1HE2 GLN 41 2HE2 GLN 41 -10.323 -0.752 -3.234
776 2HE2 GLN 41 1HE2 GLN 41 -10.000 -1.478 -1.702
777 H ARG 42 H ARG 42 -5.283 3.819 -4.782
778 HA ARG 42 HA ARG 42 -3.183 2.645 -6.360
779 1HB ARG 42 1HB ARG 42 -3.723 4.986 -6.724
780 2HB ARG 42 2HB ARG 42 -3.373 5.345 -5.039
781 1HG ARG 42 1HG ARG 42 -1.039 4.767 -5.379
782 2HG ARG 42 2HG ARG 42 -1.376 4.343 -7.056
783 1HD ARG 42 1HD ARG 42 -1.786 7.082 -5.865
784 2HD ARG 42 2HD ARG 42 -0.359 6.591 -6.774
785 HE ARG 42 HE ARG 42 -1.567 6.752 -8.723
786 1HH1 ARG 42 1HH1 ARG 42 -3.722 7.039 -5.996
787 2HH1 ARG 42 2HH1 ARG 42 -5.094 7.459 -6.966
788 1HH2 ARG 42 1HH2 ARG 42 -3.365 7.309 -9.998
789 2HH2 ARG 42 2HH2 ARG 42 -4.892 7.612 -9.237
790 H LEU 43 H LEU 43 -1.458 1.622 -5.603
791 HA LEU 43 HA LEU 43 -1.104 1.268 -2.777
792 1HB LEU 43 1HB LEU 43 0.495 0.345 -5.160
793 2HB LEU 43 2HB LEU 43 0.947 -0.023 -3.512
794 HG LEU 43 HG LEU 43 -0.213 -1.897 -4.584
795 1HD1 LEU 43 1HD1 LEU 43 -2.506 0.042 -4.811
796 2HD1 LEU 43 2HD1 LEU 43 -1.633 -0.736 -6.131
797 3HD1 LEU 43 3HD1 LEU 43 -2.637 -1.702 -5.049
798 1HD2 LEU 43 1HD2 LEU 43 -1.313 -0.528 -2.197
799 2HD2 LEU 43 2HD2 LEU 43 -2.207 -1.905 -2.842
800 3HD2 LEU 43 3HD2 LEU 43 -0.527 -2.100 -2.343
801 H ILE 44 H ILE 44 0.243 2.301 -1.442
802 HA ILE 44 HA ILE 44 2.441 3.886 -2.530
803 HB ILE 44 HB ILE 44 0.318 5.046 -0.726
804 1HG1 ILE 44 1HG1 ILE 44 1.148 5.778 -3.543
805 2HG1 ILE 44 2HG1 ILE 44 -0.313 4.896 -3.113
806 1HG2 ILE 44 1HG2 ILE 44 2.939 6.175 -1.689
807 2HG2 ILE 44 2HG2 ILE 44 1.652 7.149 -0.977
808 3HG2 ILE 44 3HG2 ILE 44 2.436 5.891 -0.023
809 1HD1 ILE 44 1HD1 ILE 44 -0.281 7.280 -1.602
810 2HD1 ILE 44 2HD1 ILE 44 0.090 7.689 -3.277
811 3HD1 ILE 44 3HD1 ILE 44 -1.385 6.803 -2.893
812 H PHE 45 H PHE 45 4.196 3.978 -1.211
813 HA PHE 45 HA PHE 45 3.924 2.974 1.539
814 1HB PHE 45 1HB PHE 45 6.136 2.147 -0.357
815 2HB PHE 45 2HB PHE 45 5.899 1.585 1.294
816 HD1 PHE 45 HD1 PHE 45 4.258 1.623 -2.043
817 HD2 PHE 45 HD2 PHE 45 4.720 -0.363 1.692
818 HE1 PHE 45 HE1 PHE 45 2.922 -0.262 -2.885
819 HE2 PHE 45 HE2 PHE 45 3.386 -2.253 0.856
820 HZ PHE 45 HZ PHE 45 2.484 -2.205 -1.436
821 H ALA 46 H ALA 46 5.326 3.895 3.041
822 HA ALA 46 HA ALA 46 7.469 5.632 2.159
823 1HB ALA 46 1HB ALA 46 6.329 7.536 2.153
824 2HB ALA 46 2HB ALA 46 4.868 6.711 2.692
825 3HB ALA 46 3HB ALA 46 6.025 7.319 3.875
826 H GLY 47 H GLY 47 9.084 5.287 3.512
827 1HA GLY 47 1HA GLY 47 10.234 4.596 5.381
828 2HA GLY 47 2HA GLY 47 8.722 3.975 6.019
829 H LYS 48 H LYS 48 11.068 5.724 7.009
830 HA LYS 48 HA LYS 48 9.497 7.285 8.815
831 1HB LYS 48 1HB LYS 48 11.599 6.237 9.518
832 2HB LYS 48 2HB LYS 48 12.488 7.222 8.365
833 1HG LYS 48 1HG LYS 48 12.740 8.127 10.579
834 2HG LYS 48 2HG LYS 48 11.799 9.241 9.588
835 1HD LYS 48 1HD LYS 48 9.736 8.404 10.595
836 2HD LYS 48 2HD LYS 48 10.673 7.276 11.580
837 1HE LYS 48 1HE LYS 48 10.832 10.286 11.674
838 2HE LYS 48 2HE LYS 48 10.055 9.248 12.869
839 1HZ LYS 48 1HZ LYS 48 12.719 8.410 12.454
840 2HZ LYS 48 2HZ LYS 48 12.703 10.063 12.810
841 3HZ LYS 48 3HZ LYS 48 11.990 8.960 13.877
842 H GLN 49 H GLN 49 8.370 8.521 7.187
843 HA GLN 49 HA GLN 49 9.684 10.443 5.595
844 1HB GLN 49 1HB GLN 49 7.451 11.472 5.394
845 2HB GLN 49 2HB GLN 49 7.404 9.736 5.136
846 1HG GLN 49 1HG GLN 49 6.569 9.413 7.406
847 2HG GLN 49 2HG GLN 49 6.605 11.157 7.663
848 1HE2 GLN 49 2HE2 GLN 49 4.710 12.076 7.497
849 2HE2 GLN 49 1HE2 GLN 49 3.415 11.584 6.466
850 H LEU 50 H LEU 50 11.012 11.882 6.491
851 HA LEU 50 HA LEU 50 11.028 12.771 9.112
852 1HB LEU 50 1HB LEU 50 11.940 14.356 6.715
853 2HB LEU 50 2HB LEU 50 12.468 14.571 8.370
854 HG LEU 50 HG LEU 50 12.942 11.863 7.464
855 1HD1 LEU 50 1HD1 LEU 50 14.172 13.961 9.026
856 2HD1 LEU 50 2HD1 LEU 50 14.402 12.212 9.112
857 3HD1 LEU 50 3HD1 LEU 50 15.350 13.174 7.974
858 1HD2 LEU 50 1HD2 LEU 50 13.472 14.017 5.591
859 2HD2 LEU 50 2HD2 LEU 50 14.948 13.143 6.029
860 3HD2 LEU 50 3HD2 LEU 50 13.562 12.263 5.356
861 H GLU 51 H GLU 51 8.741 13.141 9.535
862 HA GLU 51 HA GLU 51 6.946 14.487 9.921
863 1HB GLU 51 1HB GLU 51 8.693 15.943 10.867
864 2HB GLU 51 2HB GLU 51 8.927 16.687 9.292
865 1HG GLU 51 1HG GLU 51 6.624 17.518 9.354
866 2HG GLU 51 2HG GLU 51 6.411 16.786 10.941
No H/Q in entry = 866
Start of MODEL 3
1 H1 GLY -1 H1 GLY -1 5.403 -9.656 -13.487
2 H2 GLY -1 H2 GLY -1 6.849 -8.823 -13.763
3 H3 GLY -1 H3 GLY -1 6.087 -8.719 -12.255
4 1HA GLY -1 1HA GLY -1 5.273 -7.508 -14.820
5 2HA GLY -1 2HA GLY -1 5.555 -6.712 -13.282
6 H SER 0 H SER 0 3.652 -5.809 -12.782
7 HA SER 0 HA SER 0 1.134 -6.965 -13.406
8 1HB SER 0 1HB SER 0 1.711 -8.489 -11.580
9 2HB SER 0 2HB SER 0 2.019 -7.119 -10.513
10 HG SER 0 HG SER 0 -0.473 -7.726 -11.733
11 H MET 1 H MET 1 2.827 -4.850 -11.107
12 HA MET 1 HA MET 1 1.538 -2.515 -12.035
13 1HB MET 1 1HB MET 1 0.140 -1.982 -10.112
14 2HB MET 1 2HB MET 1 -0.394 -3.485 -10.852
15 1HG MET 1 1HG MET 1 0.698 -4.767 -9.117
16 2HG MET 1 2HG MET 1 1.342 -3.292 -8.400
17 1HE MET 1 1HE MET 1 0.585 -3.982 -6.203
18 2HE MET 1 2HE MET 1 -1.076 -3.986 -5.607
19 3HE MET 1 3HE MET 1 -0.456 -5.374 -6.504
20 H GLN 2 H GLN 2 3.002 -0.982 -11.710
21 HA GLN 2 HA GLN 2 5.152 -1.341 -9.861
22 1HB GLN 2 1HB GLN 2 5.870 0.909 -10.676
23 2HB GLN 2 2HB GLN 2 5.615 -0.265 -11.957
24 1HG GLN 2 1HG GLN 2 3.413 0.723 -12.402
25 2HG GLN 2 2HG GLN 2 3.712 1.921 -11.147
26 1HE2 GLN 2 2HE2 GLN 2 4.309 3.805 -11.909
27 2HE2 GLN 2 1HE2 GLN 2 5.242 4.086 -13.334
28 H ILE 3 H ILE 3 4.897 -1.026 -7.755
29 HA ILE 3 HA ILE 3 2.827 0.562 -6.621
30 HB ILE 3 HB ILE 3 3.889 0.064 -4.460
31 1HG1 ILE 3 1HG1 ILE 3 6.034 -1.257 -6.136
32 2HG1 ILE 3 2HG1 ILE 3 6.233 0.218 -5.202
33 1HG2 ILE 3 1HG2 ILE 3 3.407 -2.122 -6.438
34 2HG2 ILE 3 2HG2 ILE 3 3.921 -2.515 -4.797
35 3HG2 ILE 3 3HG2 ILE 3 2.426 -1.617 -5.062
36 1HD1 ILE 3 1HD1 ILE 3 5.597 -2.485 -4.052
37 2HD1 ILE 3 2HD1 ILE 3 7.195 -1.735 -4.099
38 3HD1 ILE 3 3HD1 ILE 3 5.902 -1.003 -3.147
39 H PHE 4 H PHE 4 2.858 2.600 -5.838
40 HA PHE 4 HA PHE 4 5.204 4.226 -6.420
41 1HB PHE 4 1HB PHE 4 2.421 4.980 -5.491
42 2HB PHE 4 2HB PHE 4 3.706 6.137 -5.813
43 HD1 PHE 4 HD1 PHE 4 2.300 3.174 -7.613
44 HD2 PHE 4 HD2 PHE 4 3.407 7.280 -7.764
45 HE1 PHE 4 HE1 PHE 4 1.639 3.260 -9.981
46 HE2 PHE 4 HE2 PHE 4 2.748 7.374 -10.133
47 HZ PHE 4 HZ PHE 4 1.863 5.362 -11.245
48 H VAL 5 H VAL 5 6.607 4.901 -4.902
49 HA VAL 5 HA VAL 5 5.801 4.924 -2.088
50 HB VAL 5 HB VAL 5 8.264 3.453 -3.028
51 1HG1 VAL 5 1HG1 VAL 5 7.563 4.552 -0.521
52 2HG1 VAL 5 2HG1 VAL 5 7.473 2.796 -0.378
53 3HG1 VAL 5 3HG1 VAL 5 8.962 3.560 -0.933
54 1HG2 VAL 5 1HG2 VAL 5 5.666 2.330 -2.004
55 2HG2 VAL 5 2HG2 VAL 5 6.292 2.197 -3.647
56 3HG2 VAL 5 3HG2 VAL 5 7.134 1.404 -2.317
57 H LYS 6 H LYS 6 6.747 6.527 -0.939
58 HA LYS 6 HA LYS 6 8.667 8.227 -2.344
59 1HB LYS 6 1HB LYS 6 7.092 8.668 0.199
60 2HB LYS 6 2HB LYS 6 8.236 9.825 -0.469
61 1HG LYS 6 1HG LYS 6 6.869 9.974 -2.504
62 2HG LYS 6 2HG LYS 6 5.707 8.859 -1.785
63 1HD LYS 6 1HD LYS 6 5.278 10.429 0.018
64 2HD LYS 6 2HD LYS 6 6.490 11.534 -0.632
65 1HE LYS 6 1HE LYS 6 5.171 11.785 -2.673
66 2HE LYS 6 2HE LYS 6 3.961 10.675 -2.030
67 1HZ LYS 6 1HZ LYS 6 4.133 12.492 -0.068
68 2HZ LYS 6 2HZ LYS 6 4.414 13.465 -1.425
69 3HZ LYS 6 3HZ LYS 6 2.995 12.550 -1.318
70 H THR 7 H THR 7 10.780 8.093 -1.921
71 HA THR 7 HA THR 7 11.773 6.314 0.061
72 HB THR 7 HB THR 7 14.014 7.116 -0.596
73 HG1 THR 7 HG1 THR 7 13.908 9.187 -1.167
74 1HG2 THR 7 1HG2 THR 7 12.022 6.348 -2.701
75 2HG2 THR 7 2HG2 THR 7 13.711 6.628 -3.123
76 3HG2 THR 7 3HG2 THR 7 13.290 5.373 -1.959
77 H LEU 8 H LEU 8 14.065 7.808 0.917
78 HA LEU 8 HA LEU 8 12.860 9.160 3.175
79 1HB LEU 8 1HB LEU 8 15.744 8.534 2.538
80 2HB LEU 8 2HB LEU 8 15.187 9.257 4.033
81 HG LEU 8 HG LEU 8 15.614 6.898 4.375
82 1HD1 LEU 8 1HD1 LEU 8 15.027 6.423 1.866
83 2HD1 LEU 8 2HD1 LEU 8 14.807 5.183 3.101
84 3HD1 LEU 8 3HD1 LEU 8 13.423 6.112 2.529
85 1HD2 LEU 8 1HD2 LEU 8 13.286 8.206 5.043
86 2HD2 LEU 8 2HD2 LEU 8 12.725 6.670 4.384
87 3HD2 LEU 8 3HD2 LEU 8 13.865 6.688 5.730
88 H THR 9 H THR 9 15.211 9.950 0.625
89 HA THR 9 HA THR 9 15.448 12.679 1.388
90 HB THR 9 HB THR 9 17.250 11.651 0.162
91 HG1 THR 9 HG1 THR 9 16.984 13.208 -1.842
92 1HG2 THR 9 1HG2 THR 9 15.742 10.095 -1.146
93 2HG2 THR 9 2HG2 THR 9 15.442 11.447 -2.239
94 3HG2 THR 9 3HG2 THR 9 17.075 10.812 -2.052
95 H GLY 10 H GLY 10 13.610 11.019 -1.171
96 1HA GLY 10 1HA GLY 10 12.424 13.517 -2.045
97 2HA GLY 10 2HA GLY 10 11.335 12.457 -1.163
98 H LYS 11 H LYS 11 13.891 11.430 -3.360
99 HA LYS 11 HA LYS 11 12.539 11.188 -5.733
100 1HB LYS 11 1HB LYS 11 14.930 10.722 -5.487
101 2HB LYS 11 2HB LYS 11 14.563 9.258 -4.589
102 1HG LYS 11 1HG LYS 11 13.419 8.365 -6.594
103 2HG LYS 11 2HG LYS 11 13.930 9.803 -7.480
104 1HD LYS 11 1HD LYS 11 16.277 9.233 -7.021
105 2HD LYS 11 2HD LYS 11 15.746 7.776 -6.177
106 1HE LYS 11 1HE LYS 11 14.708 6.964 -8.240
107 2HE LYS 11 2HE LYS 11 15.252 8.414 -9.083
108 1HZ LYS 11 1HZ LYS 11 17.341 6.963 -7.715
109 2HZ LYS 11 2HZ LYS 11 16.619 6.110 -8.986
110 3HZ LYS 11 3HZ LYS 11 17.321 7.622 -9.272
111 H THR 12 H THR 12 10.964 9.952 -6.537
112 HA THR 12 HA THR 12 9.614 8.091 -4.775
113 HB THR 12 HB THR 12 8.928 8.877 -7.611
114 HG1 THR 12 HG1 THR 12 7.259 9.885 -5.780
115 1HG2 THR 12 1HG2 THR 12 7.538 7.255 -5.512
116 2HG2 THR 12 2HG2 THR 12 6.597 8.163 -6.696
117 3HG2 THR 12 3HG2 THR 12 7.731 6.924 -7.233
118 H ILE 13 H ILE 13 9.682 5.923 -4.888
119 HA ILE 13 HA ILE 13 11.405 4.724 -6.923
120 HB ILE 13 HB ILE 13 10.763 2.636 -5.342
121 1HG1 ILE 13 1HG1 ILE 13 10.799 5.055 -3.531
122 2HG1 ILE 13 2HG1 ILE 13 9.419 4.003 -3.822
123 1HG2 ILE 13 1HG2 ILE 13 12.986 4.569 -5.419
124 2HG2 ILE 13 2HG2 ILE 13 12.927 3.463 -4.041
125 3HG2 ILE 13 3HG2 ILE 13 12.969 2.821 -5.686
126 1HD1 ILE 13 1HD1 ILE 13 11.404 2.270 -3.015
127 2HD1 ILE 13 2HD1 ILE 13 11.633 3.690 -1.995
128 3HD1 ILE 13 3HD1 ILE 13 10.069 2.874 -2.033
129 H THR 14 H THR 14 10.684 3.496 -8.503
130 HA THR 14 HA THR 14 7.838 2.740 -8.491
131 HB THR 14 HB THR 14 9.513 2.670 -10.978
132 HG1 THR 14 HG1 THR 14 9.356 4.822 -11.244
133 1HG2 THR 14 1HG2 THR 14 7.155 1.791 -10.844
134 2HG2 THR 14 2HG2 THR 14 6.634 3.450 -10.549
135 3HG2 THR 14 3HG2 THR 14 7.422 3.032 -12.070
136 H LEU 15 H LEU 15 7.363 0.605 -8.411
137 HA LEU 15 HA LEU 15 9.216 -1.379 -9.386
138 1HB LEU 15 1HB LEU 15 10.351 -1.531 -7.460
139 2HB LEU 15 2HB LEU 15 9.197 -0.526 -6.615
140 HG LEU 15 HG LEU 15 7.764 -2.563 -6.294
141 1HD1 LEU 15 1HD1 LEU 15 10.377 -1.992 -5.078
142 2HD1 LEU 15 2HD1 LEU 15 8.787 -2.155 -4.334
143 3HD1 LEU 15 3HD1 LEU 15 9.722 -3.594 -4.740
144 1HD2 LEU 15 1HD2 LEU 15 9.482 -3.703 -8.144
145 2HD2 LEU 15 2HD2 LEU 15 9.955 -4.425 -6.606
146 3HD2 LEU 15 3HD2 LEU 15 8.285 -4.542 -7.159
147 H GLU 16 H GLU 16 7.907 -2.726 -10.427
148 HA GLU 16 HA GLU 16 5.141 -3.012 -9.753
149 1HB GLU 16 1HB GLU 16 4.948 -4.357 -11.695
150 2HB GLU 16 2HB GLU 16 6.086 -3.080 -12.090
151 1HG GLU 16 1HG GLU 16 6.841 -5.878 -11.302
152 2HG GLU 16 2HG GLU 16 6.752 -5.283 -12.955
153 H VAL 17 H VAL 17 4.062 -4.790 -8.946
154 HA VAL 17 HA VAL 17 5.568 -7.139 -8.123
155 HB VAL 17 HB VAL 17 4.727 -7.024 -5.792
156 1HG1 VAL 17 1HG1 VAL 17 6.985 -6.018 -6.742
157 2HG1 VAL 17 2HG1 VAL 17 6.276 -4.521 -6.135
158 3HG1 VAL 17 3HG1 VAL 17 6.542 -5.879 -5.041
159 1HG2 VAL 17 1HG2 VAL 17 3.466 -4.608 -6.846
160 2HG2 VAL 17 2HG2 VAL 17 3.023 -5.611 -5.465
161 3HG2 VAL 17 3HG2 VAL 17 4.276 -4.385 -5.296
162 H GLU 18 H GLU 18 4.315 -8.952 -7.773
163 HA GLU 18 HA GLU 18 1.808 -9.035 -9.096
164 1HB GLU 18 1HB GLU 18 3.065 -11.115 -7.297
165 2HB GLU 18 2HB GLU 18 1.774 -11.388 -8.457
166 1HG GLU 18 1HG GLU 18 4.568 -10.503 -9.137
167 2HG GLU 18 2HG GLU 18 3.951 -12.149 -9.279
168 HA PRO 19 HA PRO 19 -1.054 -7.960 -5.896
169 1HB PRO 19 1HB PRO 19 -3.081 -9.720 -6.564
170 2HB PRO 19 2HB PRO 19 -2.822 -8.150 -7.320
171 1HG PRO 19 1HG PRO 19 -2.022 -10.862 -8.270
172 2HG PRO 19 2HG PRO 19 -2.651 -9.489 -9.198
173 1HD PRO 19 1HD PRO 19 -0.044 -10.105 -9.213
174 2HD PRO 19 2HD PRO 19 -0.594 -8.418 -9.246
175 H SER 20 H SER 20 -0.572 -11.385 -6.586
176 HA SER 20 HA SER 20 -1.569 -12.389 -4.157
177 1HB SER 20 1HB SER 20 -1.288 -13.778 -6.147
178 2HB SER 20 2HB SER 20 0.459 -13.577 -6.059
179 HG SER 20 HG SER 20 -1.225 -14.916 -4.215
180 H ASP 21 H ASP 21 1.527 -11.078 -5.071
181 HA ASP 21 HA ASP 21 3.150 -12.116 -3.068
182 1HB ASP 21 1HB ASP 21 3.227 -9.397 -4.391
183 2HB ASP 21 2HB ASP 21 4.513 -10.045 -3.383
184 H THR 22 H THR 22 3.314 -11.812 -0.945
185 HA THR 22 HA THR 22 1.329 -10.477 0.522
186 HB THR 22 HB THR 22 2.761 -10.882 2.502
187 HG1 THR 22 HG1 THR 22 4.632 -12.352 1.136
188 1HG2 THR 22 1HG2 THR 22 1.288 -12.645 1.425
189 2HG2 THR 22 2HG2 THR 22 2.762 -13.306 0.717
190 3HG2 THR 22 3HG2 THR 22 2.579 -13.240 2.470
191 H ILE 23 H ILE 23 1.379 -8.621 1.795
192 HA ILE 23 HA ILE 23 2.514 -6.339 0.687
193 HB ILE 23 HB ILE 23 1.642 -6.751 3.552
194 1HG1 ILE 23 1HG1 ILE 23 0.144 -5.658 1.158
195 2HG1 ILE 23 2HG1 ILE 23 -0.127 -7.228 1.907
196 1HG2 ILE 23 1HG2 ILE 23 2.166 -4.233 1.983
197 2HG2 ILE 23 2HG2 ILE 23 1.334 -4.279 3.537
198 3HG2 ILE 23 3HG2 ILE 23 3.016 -4.795 3.423
199 1HD1 ILE 23 1HD1 ILE 23 -0.798 -6.089 3.982
200 2HD1 ILE 23 2HD1 ILE 23 -0.599 -4.536 3.168
201 3HD1 ILE 23 3HD1 ILE 23 -1.825 -5.676 2.610
202 H GLU 24 H GLU 24 3.661 -8.364 3.352
203 HA GLU 24 HA GLU 24 5.853 -6.764 4.098
204 1HB GLU 24 1HB GLU 24 6.715 -8.791 5.193
205 2HB GLU 24 2HB GLU 24 5.009 -8.545 5.534
206 1HG GLU 24 1HG GLU 24 4.429 -10.218 3.854
207 2HG GLU 24 2HG GLU 24 6.138 -10.465 3.511
208 H ASN 25 H ASN 25 5.400 -9.069 1.525
209 HA ASN 25 HA ASN 25 8.147 -9.487 0.930
210 1HB ASN 25 1HB ASN 25 6.252 -10.984 0.225
211 2HB ASN 25 2HB ASN 25 5.806 -9.761 -0.960
212 1HD2 ASN 25 2HD2 ASN 25 7.344 -12.588 -0.616
213 2HD2 ASN 25 1HD2 ASN 25 8.473 -12.488 -1.918
214 H VAL 26 H VAL 26 5.655 -7.396 -0.532
215 HA VAL 26 HA VAL 26 7.329 -6.244 -2.470
216 HB VAL 26 HB VAL 26 5.657 -4.466 -2.648
217 1HG1 VAL 26 1HG1 VAL 26 5.378 -6.920 -3.484
218 2HG1 VAL 26 2HG1 VAL 26 4.072 -6.959 -2.299
219 3HG1 VAL 26 3HG1 VAL 26 4.040 -5.777 -3.608
220 1HG2 VAL 26 1HG2 VAL 26 5.222 -4.798 0.003
221 2HG2 VAL 26 2HG2 VAL 26 4.131 -3.946 -1.089
222 3HG2 VAL 26 3HG2 VAL 26 3.829 -5.634 -0.681
223 H LYS 27 H LYS 27 6.547 -5.255 0.833
224 HA LYS 27 HA LYS 27 7.866 -2.779 0.818
225 1HB LYS 27 1HB LYS 27 7.447 -4.693 3.124
226 2HB LYS 27 2HB LYS 27 7.892 -2.999 3.276
227 1HG LYS 27 1HG LYS 27 5.784 -2.323 2.301
228 2HG LYS 27 2HG LYS 27 5.340 -4.010 2.040
229 1HD LYS 27 1HD LYS 27 4.229 -3.175 4.017
230 2HD LYS 27 2HD LYS 27 5.433 -4.381 4.478
231 1HE LYS 27 1HE LYS 27 6.995 -2.596 5.069
232 2HE LYS 27 2HE LYS 27 5.797 -1.390 4.604
233 1HZ LYS 27 1HZ LYS 27 4.328 -2.579 6.324
234 2HZ LYS 27 2HZ LYS 27 5.777 -3.213 6.918
235 3HZ LYS 27 3HZ LYS 27 5.540 -1.538 6.879
236 H ALA 28 H ALA 28 8.997 -6.050 1.404
237 HA ALA 28 HA ALA 28 11.541 -5.457 2.406
238 1HB ALA 28 1HB ALA 28 12.120 -7.765 1.499
239 2HB ALA 28 2HB ALA 28 10.798 -7.662 2.663
240 3HB ALA 28 3HB ALA 28 10.447 -7.838 0.943
241 H LYS 29 H LYS 29 10.362 -5.682 -0.917
242 HA LYS 29 HA LYS 29 12.865 -5.661 -2.213
243 1HB LYS 29 1HB LYS 29 10.358 -4.365 -3.285
244 2HB LYS 29 2HB LYS 29 11.681 -5.068 -4.199
245 1HG LYS 29 1HG LYS 29 11.045 -7.292 -3.311
246 2HG LYS 29 2HG LYS 29 9.648 -6.532 -2.541
247 1HD LYS 29 1HD LYS 29 8.860 -5.779 -4.742
248 2HD LYS 29 2HD LYS 29 10.245 -6.564 -5.502
249 1HE LYS 29 1HE LYS 29 8.307 -7.980 -5.711
250 2HE LYS 29 2HE LYS 29 9.465 -8.729 -4.614
251 1HZ LYS 29 1HZ LYS 29 8.162 -7.911 -2.747
252 2HZ LYS 29 2HZ LYS 29 7.045 -7.210 -3.807
253 3HZ LYS 29 3HZ LYS 29 7.223 -8.891 -3.754
254 H ILE 30 H ILE 30 10.707 -3.119 -1.100
255 HA ILE 30 HA ILE 30 12.006 -0.904 -2.152
256 HB ILE 30 HB ILE 30 10.570 -1.131 0.495
257 1HG1 ILE 30 1HG1 ILE 30 9.596 -0.308 -2.252
258 2HG1 ILE 30 2HG1 ILE 30 9.180 -1.799 -1.413
259 1HG2 ILE 30 1HG2 ILE 30 11.472 1.250 -1.116
260 2HG2 ILE 30 2HG2 ILE 30 10.199 1.353 0.103
261 3HG2 ILE 30 3HG2 ILE 30 11.829 0.870 0.570
262 1HD1 ILE 30 1HD1 ILE 30 8.528 0.920 -0.322
263 2HD1 ILE 30 2HD1 ILE 30 7.445 0.012 -1.378
264 3HD1 ILE 30 3HD1 ILE 30 7.898 -0.645 0.194
265 H GLN 31 H GLN 31 12.793 -2.932 0.588
266 HA GLN 31 HA GLN 31 14.711 -1.261 1.827
267 1HB GLN 31 1HB GLN 31 14.759 -4.283 1.692
268 2HB GLN 31 2HB GLN 31 15.518 -3.264 2.907
269 1HG GLN 31 1HG GLN 31 13.365 -2.602 3.758
270 2HG GLN 31 2HG GLN 31 12.553 -3.505 2.482
271 1HE2 GLN 31 2HE2 GLN 31 13.570 -3.586 5.613
272 2HE2 GLN 31 1HE2 GLN 31 13.530 -5.291 5.887
273 H ASP 32 H ASP 32 14.951 -3.898 -0.508
274 HA ASP 32 HA ASP 32 17.696 -3.711 -1.016
275 1HB ASP 32 1HB ASP 32 16.325 -5.630 -1.731
276 2HB ASP 32 2HB ASP 32 15.481 -4.596 -2.879
277 H LYS 33 H LYS 33 14.929 -1.993 -2.174
278 HA LYS 33 HA LYS 33 16.159 -0.621 -4.328
279 1HB LYS 33 1HB LYS 33 13.644 -0.123 -2.735
280 2HB LYS 33 2HB LYS 33 14.126 0.885 -4.095
281 1HG LYS 33 1HG LYS 33 13.580 -2.075 -4.212
282 2HG LYS 33 2HG LYS 33 12.474 -0.802 -4.729
283 1HD LYS 33 1HD LYS 33 15.212 -1.315 -5.891
284 2HD LYS 33 2HD LYS 33 13.684 -1.809 -6.620
285 1HE LYS 33 1HE LYS 33 12.997 0.535 -6.772
286 2HE LYS 33 2HE LYS 33 14.526 1.028 -6.046
287 1HZ LYS 33 1HZ LYS 33 15.251 -0.553 -8.151
288 2HZ LYS 33 2HZ LYS 33 13.950 0.342 -8.755
289 3HZ LYS 33 3HZ LYS 33 15.298 1.136 -8.111
290 H GLU 34 H GLU 34 15.857 -0.018 -0.893
291 HA GLU 34 HA GLU 34 17.684 2.250 -1.177
292 1HB GLU 34 1HB GLU 34 15.086 2.318 0.360
293 2HB GLU 34 2HB GLU 34 16.358 3.515 0.537
294 1HG GLU 34 1HG GLU 34 14.952 2.908 -2.052
295 2HG GLU 34 2HG GLU 34 14.499 4.208 -0.950
296 H GLY 35 H GLY 35 15.859 0.703 1.501
297 1HA GLY 35 1HA GLY 35 18.343 0.610 3.038
298 2HA GLY 35 2HA GLY 35 17.598 -0.931 2.654
299 H ILE 36 H ILE 36 15.783 1.978 3.383
300 HA ILE 36 HA ILE 36 15.474 1.857 6.075
301 HB ILE 36 HB ILE 36 12.979 2.597 5.444
302 1HG1 ILE 36 1HG1 ILE 36 13.059 3.821 3.281
303 2HG1 ILE 36 2HG1 ILE 36 14.621 3.089 2.943
304 1HG2 ILE 36 1HG2 ILE 36 15.513 3.859 5.884
305 2HG2 ILE 36 2HG2 ILE 36 14.549 4.818 4.761
306 3HG2 ILE 36 3HG2 ILE 36 13.899 4.399 6.344
307 1HD1 ILE 36 1HD1 ILE 36 12.554 1.140 3.550
308 2HD1 ILE 36 2HD1 ILE 36 12.202 2.134 2.136
309 3HD1 ILE 36 3HD1 ILE 36 13.702 1.208 2.213
310 HA PRO 37 HA PRO 37 13.637 -1.977 7.292
311 1HB PRO 37 1HB PRO 37 12.361 -0.140 9.272
312 2HB PRO 37 2HB PRO 37 13.181 -1.682 9.544
313 1HG PRO 37 1HG PRO 37 14.418 0.589 10.103
314 2HG PRO 37 2HG PRO 37 15.300 -0.730 9.310
315 1HD PRO 37 1HD PRO 37 14.236 1.805 8.153
316 2HD PRO 37 2HD PRO 37 15.723 0.924 7.761
317 HA PRO 38 HA PRO 38 9.570 -2.020 5.552
318 1HB PRO 38 1HB PRO 38 8.822 -4.121 7.464
319 2HB PRO 38 2HB PRO 38 8.963 -4.203 5.708
320 1HG PRO 38 1HG PRO 38 10.732 -5.412 7.334
321 2HG PRO 38 2HG PRO 38 11.209 -4.711 5.777
322 1HD PRO 38 1HD PRO 38 11.549 -3.604 8.539
323 2HD PRO 38 2HD PRO 38 12.682 -3.586 7.170
324 H ASP 39 H ASP 39 9.701 -2.179 9.108
325 HA ASP 39 HA ASP 39 7.053 -1.515 9.638
326 1HB ASP 39 1HB ASP 39 7.847 -0.778 11.853
327 2HB ASP 39 2HB ASP 39 8.552 -2.319 11.381
328 H GLN 40 H GLN 40 9.834 0.572 9.018
329 HA GLN 40 HA GLN 40 8.621 3.016 9.643
330 1HB GLN 40 1HB GLN 40 10.790 2.389 7.639
331 2HB GLN 40 2HB GLN 40 10.355 4.010 8.154
332 1HG GLN 40 1HG GLN 40 11.068 3.569 10.388
333 2HG GLN 40 2HG GLN 40 11.307 1.859 10.025
334 1HE2 GLN 40 2HE2 GLN 40 12.275 3.337 7.322
335 2HE2 GLN 40 1HE2 GLN 40 13.954 3.551 7.657
336 H GLN 41 H GLN 41 8.750 1.172 6.645
337 HA GLN 41 HA GLN 41 7.568 3.008 4.917
338 1HB GLN 41 1HB GLN 41 7.347 -0.008 4.896
339 2HB GLN 41 2HB GLN 41 6.998 1.051 3.535
340 1HG GLN 41 1HG GLN 41 9.284 1.723 3.383
341 2HG GLN 41 2HG GLN 41 9.683 0.880 4.877
342 1HE2 GLN 41 2HE2 GLN 41 10.805 -0.877 4.505
343 2HE2 GLN 41 1HE2 GLN 41 10.588 -1.973 3.188
344 H ARG 42 H ARG 42 5.463 3.442 4.310
345 HA ARG 42 HA ARG 42 3.325 2.162 5.828
346 1HB ARG 42 1HB ARG 42 3.690 5.135 5.483
347 2HB ARG 42 2HB ARG 42 2.222 4.387 6.092
348 1HG ARG 42 1HG ARG 42 3.522 3.448 7.971
349 2HG ARG 42 2HG ARG 42 4.941 4.312 7.379
350 1HD ARG 42 1HD ARG 42 3.775 6.435 7.647
351 2HD ARG 42 2HD ARG 42 2.334 5.586 8.199
352 HE ARG 42 HE ARG 42 3.260 5.556 10.274
353 1HH1 ARG 42 1HH1 ARG 42 5.845 5.776 7.947
354 2HH1 ARG 42 2HH1 ARG 42 7.090 5.846 9.147
355 1HH2 ARG 42 1HH2 ARG 42 4.894 5.648 11.858
356 2HH2 ARG 42 2HH2 ARG 42 6.551 5.772 11.370
357 H LEU 43 H LEU 43 2.094 1.211 4.352
358 HA LEU 43 HA LEU 43 1.888 2.210 1.668
359 1HB LEU 43 1HB LEU 43 0.622 0.277 1.181
360 2HB LEU 43 2HB LEU 43 1.877 -0.223 2.291
361 HG LEU 43 HG LEU 43 -1.030 0.219 2.976
362 1HD1 LEU 43 1HD1 LEU 43 1.372 -0.187 4.664
363 2HD1 LEU 43 2HD1 LEU 43 -0.106 0.718 4.989
364 3HD1 LEU 43 3HD1 LEU 43 -0.106 -1.042 5.110
365 1HD2 LEU 43 1HD2 LEU 43 0.658 -2.196 2.474
366 2HD2 LEU 43 2HD2 LEU 43 -0.740 -2.286 3.546
367 3HD2 LEU 43 3HD2 LEU 43 -0.950 -1.807 1.861
368 H ILE 44 H ILE 44 0.210 3.274 0.716
369 HA ILE 44 HA ILE 44 -2.150 3.883 2.354
370 HB ILE 44 HB ILE 44 -0.415 5.893 0.933
371 1HG1 ILE 44 1HG1 ILE 44 -1.392 5.694 3.791
372 2HG1 ILE 44 2HG1 ILE 44 0.235 5.315 3.239
373 1HG2 ILE 44 1HG2 ILE 44 -2.736 6.340 0.358
374 2HG2 ILE 44 2HG2 ILE 44 -3.181 6.298 2.066
375 3HG2 ILE 44 3HG2 ILE 44 -2.119 7.570 1.462
376 1HD1 ILE 44 1HD1 ILE 44 0.017 7.827 2.331
377 2HD1 ILE 44 2HD1 ILE 44 -1.038 7.914 3.741
378 3HD1 ILE 44 3HD1 ILE 44 0.641 7.410 3.926
379 H PHE 45 H PHE 45 -3.819 3.111 1.251
380 HA PHE 45 HA PHE 45 -3.762 2.924 -1.637
381 1HB PHE 45 1HB PHE 45 -5.982 2.181 0.280
382 2HB PHE 45 2HB PHE 45 -5.870 1.725 -1.416
383 HD1 PHE 45 HD1 PHE 45 -3.884 1.464 1.734
384 HD2 PHE 45 HD2 PHE 45 -5.071 -0.365 -1.921
385 HE1 PHE 45 HE1 PHE 45 -2.664 -0.575 2.364
386 HE2 PHE 45 HE2 PHE 45 -3.853 -2.409 -1.295
387 HZ PHE 45 HZ PHE 45 -2.647 -2.517 0.850
388 H ALA 46 H ALA 46 -5.185 3.964 -3.063
389 HA ALA 46 HA ALA 46 -7.099 5.883 -2.067
390 1HB ALA 46 1HB ALA 46 -6.001 7.811 -2.373
391 2HB ALA 46 2HB ALA 46 -5.222 7.246 -3.851
392 3HB ALA 46 3HB ALA 46 -4.546 6.819 -2.279
393 H GLY 47 H GLY 47 -8.766 5.939 -3.414
394 1HA GLY 47 1HA GLY 47 -10.059 5.458 -5.255
395 2HA GLY 47 2HA GLY 47 -8.714 4.527 -5.889
396 H LYS 48 H LYS 48 -10.687 6.724 -6.865
397 HA LYS 48 HA LYS 48 -8.976 7.814 -8.847
398 1HB LYS 48 1HB LYS 48 -11.380 7.366 -9.204
399 2HB LYS 48 2HB LYS 48 -11.773 8.656 -8.076
400 1HG LYS 48 1HG LYS 48 -12.012 9.418 -10.360
401 2HG LYS 48 2HG LYS 48 -10.696 10.278 -9.559
402 1HD LYS 48 1HD LYS 48 -10.043 9.661 -11.814
403 2HD LYS 48 2HD LYS 48 -9.077 8.775 -10.635
404 1HE LYS 48 1HE LYS 48 -9.781 7.317 -12.456
405 2HE LYS 48 2HE LYS 48 -10.502 6.814 -10.928
406 1HZ LYS 48 1HZ LYS 48 -12.111 8.670 -12.437
407 2HZ LYS 48 2HZ LYS 48 -11.860 7.191 -13.219
408 3HZ LYS 48 3HZ LYS 48 -12.551 7.227 -11.675
409 H GLN 49 H GLN 49 -7.350 8.737 -7.415
410 HA GLN 49 HA GLN 49 -7.906 10.989 -5.802
411 1HB GLN 49 1HB GLN 49 -5.345 10.233 -7.230
412 2HB GLN 49 2HB GLN 49 -5.479 11.435 -5.954
413 1HG GLN 49 1HG GLN 49 -6.189 9.692 -4.393
414 2HG GLN 49 2HG GLN 49 -6.033 8.490 -5.674
415 1HE2 GLN 49 2HE2 GLN 49 -4.241 7.364 -5.572
416 2HE2 GLN 49 1HE2 GLN 49 -2.716 7.915 -4.978
417 H LEU 50 H LEU 50 -9.046 12.570 -6.729
418 HA LEU 50 HA LEU 50 -9.215 13.377 -9.310
419 1HB LEU 50 1HB LEU 50 -9.351 15.041 -6.807
420 2HB LEU 50 2HB LEU 50 -9.718 15.696 -8.390
421 HG LEU 50 HG LEU 50 -11.762 15.107 -7.211
422 1HD1 LEU 50 1HD1 LEU 50 -10.677 13.278 -5.849
423 2HD1 LEU 50 2HD1 LEU 50 -12.294 12.936 -6.464
424 3HD1 LEU 50 3HD1 LEU 50 -10.883 12.233 -7.256
425 1HD2 LEU 50 1HD2 LEU 50 -11.016 14.171 -9.780
426 2HD2 LEU 50 2HD2 LEU 50 -12.078 12.969 -9.046
427 3HD2 LEU 50 3HD2 LEU 50 -12.613 14.642 -9.200
428 H GLU 51 H GLU 51 -7.169 13.139 -10.283
429 HA GLU 51 HA GLU 51 -4.826 14.464 -9.604
430 1HB GLU 51 1HB GLU 51 -5.803 13.872 -12.403
431 2HB GLU 51 2HB GLU 51 -4.136 14.146 -11.920
432 1HG GLU 51 1HG GLU 51 -4.199 12.125 -10.558
433 2HG GLU 51 2HG GLU 51 -5.870 11.849 -11.046
434 H1 GLY -1 H1 GLY -1 -5.543 -9.650 13.477
435 H2 GLY -1 H2 GLY -1 -6.980 -8.799 13.741
436 H3 GLY -1 H3 GLY -1 -6.181 -8.671 12.255
437 1HA GLY -1 1HA GLY -1 -5.360 -7.576 14.876
438 2HA GLY -1 2HA GLY -1 -5.676 -6.695 13.391
439 H SER 0 H SER 0 -3.783 -5.759 12.908
440 HA SER 0 HA SER 0 -1.250 -6.903 13.429
441 1HB SER 0 1HB SER 0 -1.847 -8.407 11.591
442 2HB SER 0 2HB SER 0 -2.180 -7.021 10.550
443 HG SER 0 HG SER 0 0.331 -7.639 11.722
444 H MET 1 H MET 1 -2.989 -4.788 11.157
445 HA MET 1 HA MET 1 -1.755 -2.438 12.107
446 1HB MET 1 1HB MET 1 -0.321 -1.878 10.212
447 2HB MET 1 2HB MET 1 0.226 -3.362 10.980
448 1HG MET 1 1HG MET 1 -0.794 -4.684 9.229
449 2HG MET 1 2HG MET 1 -1.446 -3.228 8.480
450 1HE MET 1 1HE MET 1 -0.613 -3.933 6.308
451 2HE MET 1 2HE MET 1 1.065 -3.917 5.763
452 3HE MET 1 3HE MET 1 0.445 -5.300 6.662
453 H GLN 2 H GLN 2 -3.272 -0.953 11.771
454 HA GLN 2 HA GLN 2 -5.360 -1.320 9.868
455 1HB GLN 2 1HB GLN 2 -6.091 0.947 10.624
456 2HB GLN 2 2HB GLN 2 -5.867 -0.202 11.933
457 1HG GLN 2 1HG GLN 2 -3.679 0.787 12.418
458 2HG GLN 2 2HG GLN 2 -3.930 1.954 11.121
459 1HE2 GLN 2 2HE2 GLN 2 -4.516 3.864 11.827
460 2HE2 GLN 2 1HE2 GLN 2 -5.497 4.189 13.210
461 H ILE 3 H ILE 3 -5.070 -1.031 7.755
462 HA ILE 3 HA ILE 3 -2.951 0.529 6.666
463 HB ILE 3 HB ILE 3 -4.000 0.033 4.473
464 1HG1 ILE 3 1HG1 ILE 3 -6.057 -1.435 6.135
465 2HG1 ILE 3 2HG1 ILE 3 -6.350 0.052 5.242
466 1HG2 ILE 3 1HG2 ILE 3 -3.395 -2.119 6.452
467 2HG2 ILE 3 2HG2 ILE 3 -3.880 -2.538 4.810
468 3HG2 ILE 3 3HG2 ILE 3 -2.441 -1.556 5.080
469 1HD1 ILE 3 1HD1 ILE 3 -5.570 -2.589 4.035
470 2HD1 ILE 3 2HD1 ILE 3 -7.191 -1.895 4.054
471 3HD1 ILE 3 3HD1 ILE 3 -5.901 -1.100 3.151
472 H PHE 4 H PHE 4 -2.918 2.567 5.934
473 HA PHE 4 HA PHE 4 -5.275 4.221 6.366
474 1HB PHE 4 1HB PHE 4 -2.441 4.952 5.591
475 2HB PHE 4 2HB PHE 4 -3.728 6.113 5.876
476 HD1 PHE 4 HD1 PHE 4 -2.375 3.131 7.685
477 HD2 PHE 4 HD2 PHE 4 -3.534 7.222 7.853
478 HE1 PHE 4 HE1 PHE 4 -1.794 3.193 10.074
479 HE2 PHE 4 HE2 PHE 4 -2.955 7.292 10.243
480 HZ PHE 4 HZ PHE 4 -2.083 5.276 11.356
481 H VAL 5 H VAL 5 -6.610 4.800 4.768
482 HA VAL 5 HA VAL 5 -5.612 5.114 2.065
483 HB VAL 5 HB VAL 5 -6.120 2.921 1.681
484 1HG1 VAL 5 1HG1 VAL 5 -7.745 4.675 0.483
485 2HG1 VAL 5 2HG1 VAL 5 -7.776 2.942 0.153
486 3HG1 VAL 5 3HG1 VAL 5 -8.947 3.650 1.266
487 1HG2 VAL 5 1HG2 VAL 5 -7.796 3.199 4.022
488 2HG2 VAL 5 2HG2 VAL 5 -8.544 2.199 2.776
489 3HG2 VAL 5 3HG2 VAL 5 -6.946 1.787 3.395
490 H LYS 6 H LYS 6 -6.578 6.727 1.037
491 HA LYS 6 HA LYS 6 -8.713 8.156 2.367
492 1HB LYS 6 1HB LYS 6 -7.211 8.756 -0.187
493 2HB LYS 6 2HB LYS 6 -8.372 9.834 0.575
494 1HG LYS 6 1HG LYS 6 -6.943 10.004 2.538
495 2HG LYS 6 2HG LYS 6 -5.786 8.898 1.799
496 1HD LYS 6 1HD LYS 6 -5.406 10.478 -0.013
497 2HD LYS 6 2HD LYS 6 -6.603 11.577 0.678
498 1HE LYS 6 1HE LYS 6 -5.234 11.821 2.680
499 2HE LYS 6 2HE LYS 6 -4.044 10.703 2.014
500 1HZ LYS 6 1HZ LYS 6 -4.219 12.506 0.053
501 2HZ LYS 6 2HZ LYS 6 -4.505 13.494 1.398
502 3HZ LYS 6 3HZ LYS 6 -3.082 12.583 1.303
503 H THR 7 H THR 7 -10.814 8.151 1.824
504 HA THR 7 HA THR 7 -11.753 6.277 -0.124
505 HB THR 7 HB THR 7 -14.012 7.078 0.478
506 HG1 THR 7 HG1 THR 7 -13.936 9.150 1.041
507 1HG2 THR 7 1HG2 THR 7 -12.061 6.332 2.627
508 2HG2 THR 7 2HG2 THR 7 -13.757 6.617 3.016
509 3HG2 THR 7 3HG2 THR 7 -13.315 5.350 1.871
510 H LEU 8 H LEU 8 -14.039 7.758 -1.044
511 HA LEU 8 HA LEU 8 -12.788 9.098 -3.286
512 1HB LEU 8 1HB LEU 8 -15.706 8.548 -2.735
513 2HB LEU 8 2HB LEU 8 -15.046 9.151 -4.242
514 HG LEU 8 HG LEU 8 -15.511 6.824 -4.529
515 1HD1 LEU 8 1HD1 LEU 8 -13.105 7.902 -5.076
516 2HD1 LEU 8 2HD1 LEU 8 -12.626 6.527 -4.082
517 3HD1 LEU 8 3HD1 LEU 8 -13.586 6.270 -5.539
518 1HD2 LEU 8 1HD2 LEU 8 -15.261 6.495 -1.923
519 2HD2 LEU 8 2HD2 LEU 8 -15.087 5.156 -3.058
520 3HD2 LEU 8 3HD2 LEU 8 -13.655 5.947 -2.401
521 H THR 9 H THR 9 -15.185 9.898 -0.781
522 HA THR 9 HA THR 9 -15.426 12.620 -1.565
523 HB THR 9 HB THR 9 -17.233 11.592 -0.342
524 HG1 THR 9 HG1 THR 9 -16.997 13.173 1.645
525 1HG2 THR 9 1HG2 THR 9 -15.728 10.061 0.996
526 2HG2 THR 9 2HG2 THR 9 -15.440 11.426 2.073
527 3HG2 THR 9 3HG2 THR 9 -17.070 10.781 1.883
528 H GLY 10 H GLY 10 -13.604 10.992 1.024
529 1HA GLY 10 1HA GLY 10 -12.427 13.506 1.872
530 2HA GLY 10 2HA GLY 10 -11.330 12.423 1.029
531 H LYS 11 H LYS 11 -13.923 11.438 3.201
532 HA LYS 11 HA LYS 11 -12.606 11.249 5.601
533 1HB LYS 11 1HB LYS 11 -14.991 10.782 5.349
534 2HB LYS 11 2HB LYS 11 -14.625 9.307 4.467
535 1HG LYS 11 1HG LYS 11 -13.455 8.469 6.509
536 2HG LYS 11 2HG LYS 11 -14.061 9.888 7.364
537 1HD LYS 11 1HD LYS 11 -16.365 9.202 6.807
538 2HD LYS 11 2HD LYS 11 -15.720 7.749 6.038
539 1HE LYS 11 1HE LYS 11 -14.752 7.044 8.163
540 2HE LYS 11 2HE LYS 11 -15.375 8.501 8.938
541 1HZ LYS 11 1HZ LYS 11 -17.383 6.973 7.553
542 2HZ LYS 11 2HZ LYS 11 -16.657 6.130 8.828
543 3HZ LYS 11 3HZ LYS 11 -17.403 7.620 9.115
544 H THR 12 H THR 12 -11.040 10.041 6.443
545 HA THR 12 HA THR 12 -9.660 8.130 4.768
546 HB THR 12 HB THR 12 -9.085 8.866 7.636
547 HG1 THR 12 HG1 THR 12 -7.410 9.942 5.785
548 1HG2 THR 12 1HG2 THR 12 -7.635 7.316 5.536
549 2HG2 THR 12 2HG2 THR 12 -6.709 8.228 6.729
550 3HG2 THR 12 3HG2 THR 12 -7.827 6.971 7.254
551 H ILE 13 H ILE 13 -9.542 5.930 5.083
552 HA ILE 13 HA ILE 13 -11.327 4.849 7.159
553 HB ILE 13 HB ILE 13 -11.533 2.839 5.635
554 1HG1 ILE 13 1HG1 ILE 13 -10.494 4.818 3.593
555 2HG1 ILE 13 2HG1 ILE 13 -9.604 3.418 4.181
556 1HG2 ILE 13 1HG2 ILE 13 -12.750 5.493 5.390
557 2HG2 ILE 13 2HG2 ILE 13 -13.001 4.431 3.999
558 3HG2 ILE 13 3HG2 ILE 13 -13.500 3.909 5.609
559 1HD1 ILE 13 1HD1 ILE 13 -11.719 2.121 3.348
560 2HD1 ILE 13 2HD1 ILE 13 -11.928 3.553 2.341
561 3HD1 ILE 13 3HD1 ILE 13 -10.445 2.604 2.228
562 H THR 14 H THR 14 -10.534 3.488 8.580
563 HA THR 14 HA THR 14 -7.811 2.450 8.161
564 HB THR 14 HB THR 14 -7.955 2.177 10.760
565 HG1 THR 14 HG1 THR 14 -9.332 4.467 11.016
566 1HG2 THR 14 1HG2 THR 14 -7.559 4.837 9.396
567 2HG2 THR 14 2HG2 THR 14 -7.053 4.469 11.045
568 3HG2 THR 14 3HG2 THR 14 -6.335 3.601 9.687
569 H LEU 15 H LEU 15 -7.416 0.317 8.382
570 HA LEU 15 HA LEU 15 -9.211 -1.458 9.705
571 1HB LEU 15 1HB LEU 15 -10.079 -2.678 7.886
572 2HB LEU 15 2HB LEU 15 -10.350 -0.994 7.489
573 HG LEU 15 HG LEU 15 -8.074 -1.292 6.162
574 1HD1 LEU 15 1HD1 LEU 15 -10.682 -1.053 5.479
575 2HD1 LEU 15 2HD1 LEU 15 -9.362 -1.182 4.318
576 3HD1 LEU 15 3HD1 LEU 15 -10.293 -2.613 4.758
577 1HD2 LEU 15 1HD2 LEU 15 -8.455 -3.871 7.106
578 2HD2 LEU 15 2HD2 LEU 15 -8.993 -3.936 5.428
579 3HD2 LEU 15 3HD2 LEU 15 -7.365 -3.373 5.811
580 H GLU 16 H GLU 16 -7.907 -2.841 10.650
581 HA GLU 16 HA GLU 16 -5.194 -3.152 9.899
582 1HB GLU 16 1HB GLU 16 -4.997 -4.611 11.779
583 2HB GLU 16 2HB GLU 16 -6.054 -3.286 12.234
584 1HG GLU 16 1HG GLU 16 -6.934 -6.056 11.455
585 2HG GLU 16 2HG GLU 16 -6.850 -5.414 13.090
586 H VAL 17 H VAL 17 -4.096 -4.915 9.087
587 HA VAL 17 HA VAL 17 -5.556 -7.259 8.189
588 HB VAL 17 HB VAL 17 -4.570 -7.047 5.870
589 1HG1 VAL 17 1HG1 VAL 17 -3.028 -5.157 6.627
590 2HG1 VAL 17 2HG1 VAL 17 -3.809 -5.001 5.054
591 3HG1 VAL 17 3HG1 VAL 17 -4.435 -4.112 6.442
592 1HG2 VAL 17 1HG2 VAL 17 -6.685 -5.099 6.744
593 2HG2 VAL 17 2HG2 VAL 17 -6.353 -5.531 5.067
594 3HG2 VAL 17 3HG2 VAL 17 -6.922 -6.758 6.198
595 H GLU 18 H GLU 18 -4.283 -9.047 7.956
596 HA GLU 18 HA GLU 18 -1.751 -9.034 9.223
597 1HB GLU 18 1HB GLU 18 -2.963 -11.205 7.504
598 2HB GLU 18 2HB GLU 18 -1.668 -11.401 8.674
599 1HG GLU 18 1HG GLU 18 -4.469 -10.542 9.351
600 2HG GLU 18 2HG GLU 18 -3.861 -12.191 9.482
601 HA PRO 19 HA PRO 19 1.032 -7.956 5.963
602 1HB PRO 19 1HB PRO 19 3.084 -9.705 6.614
603 2HB PRO 19 2HB PRO 19 2.844 -8.112 7.325
604 1HG PRO 19 1HG PRO 19 2.082 -10.792 8.386
605 2HG PRO 19 2HG PRO 19 2.714 -9.381 9.251
606 1HD PRO 19 1HD PRO 19 0.117 -10.024 9.347
607 2HD PRO 19 2HD PRO 19 0.646 -8.329 9.301
608 H SER 20 H SER 20 0.507 -11.361 6.678
609 HA SER 20 HA SER 20 1.511 -12.411 4.272
610 1HB SER 20 1HB SER 20 1.172 -13.769 6.275
611 2HB SER 20 2HB SER 20 -0.571 -13.541 6.151
612 HG SER 20 HG SER 20 1.120 -14.906 4.331
613 H ASP 21 H ASP 21 -1.608 -11.081 5.145
614 HA ASP 21 HA ASP 21 -3.195 -12.097 3.111
615 1HB ASP 21 1HB ASP 21 -3.256 -9.428 4.516
616 2HB ASP 21 2HB ASP 21 -4.480 -9.913 3.350
617 H THR 22 H THR 22 -3.343 -11.791 0.989
618 HA THR 22 HA THR 22 -1.321 -10.481 -0.458
619 HB THR 22 HB THR 22 -2.725 -10.892 -2.454
620 HG1 THR 22 HG1 THR 22 -4.629 -12.326 -1.078
621 1HG2 THR 22 1HG2 THR 22 -1.287 -12.661 -1.343
622 2HG2 THR 22 2HG2 THR 22 -2.777 -13.303 -0.653
623 3HG2 THR 22 3HG2 THR 22 -2.567 -13.252 -2.403
624 H ILE 23 H ILE 23 -1.349 -8.623 -1.731
625 HA ILE 23 HA ILE 23 -2.488 -6.339 -0.641
626 HB ILE 23 HB ILE 23 -1.593 -6.766 -3.497
627 1HG1 ILE 23 1HG1 ILE 23 -0.124 -5.648 -1.096
628 2HG1 ILE 23 2HG1 ILE 23 0.158 -7.225 -1.827
629 1HG2 ILE 23 1HG2 ILE 23 -2.135 -4.234 -1.954
630 2HG2 ILE 23 2HG2 ILE 23 -1.297 -4.296 -3.504
631 3HG2 ILE 23 3HG2 ILE 23 -2.978 -4.812 -3.391
632 1HD1 ILE 23 1HD1 ILE 23 0.824 -6.079 -3.916
633 2HD1 ILE 23 2HD1 ILE 23 0.666 -4.537 -3.076
634 3HD1 ILE 23 3HD1 ILE 23 1.866 -5.714 -2.541
635 H GLU 24 H GLU 24 -3.634 -8.367 -3.305
636 HA GLU 24 HA GLU 24 -5.816 -6.758 -4.061
637 1HB GLU 24 1HB GLU 24 -6.681 -8.786 -5.156
638 2HB GLU 24 2HB GLU 24 -4.975 -8.537 -5.496
639 1HG GLU 24 1HG GLU 24 -4.394 -10.209 -3.816
640 2HG GLU 24 2HG GLU 24 -6.103 -10.460 -3.476
641 H ASN 25 H ASN 25 -5.382 -9.072 -1.491
642 HA ASN 25 HA ASN 25 -8.132 -9.478 -0.906
643 1HB ASN 25 1HB ASN 25 -6.248 -10.985 -0.197
644 2HB ASN 25 2HB ASN 25 -5.797 -9.766 0.990
645 1HD2 ASN 25 2HD2 ASN 25 -7.350 -12.583 0.642
646 2HD2 ASN 25 1HD2 ASN 25 -8.481 -12.479 1.941
647 H VAL 26 H VAL 26 -5.635 -7.406 0.574
648 HA VAL 26 HA VAL 26 -7.311 -6.247 2.504
649 HB VAL 26 HB VAL 26 -5.628 -4.478 2.693
650 1HG1 VAL 26 1HG1 VAL 26 -5.368 -6.969 3.499
651 2HG1 VAL 26 2HG1 VAL 26 -4.017 -6.950 2.364
652 3HG1 VAL 26 3HG1 VAL 26 -4.063 -5.800 3.701
653 1HG2 VAL 26 1HG2 VAL 26 -5.176 -4.825 0.044
654 2HG2 VAL 26 2HG2 VAL 26 -4.094 -3.968 1.141
655 3HG2 VAL 26 3HG2 VAL 26 -3.790 -5.659 0.745
656 H LYS 27 H LYS 27 -6.521 -5.271 -0.800
657 HA LYS 27 HA LYS 27 -7.818 -2.780 -0.785
658 1HB LYS 27 1HB LYS 27 -7.391 -4.693 -3.089
659 2HB LYS 27 2HB LYS 27 -7.839 -3.000 -3.245
660 1HG LYS 27 1HG LYS 27 -5.738 -2.317 -2.266
661 2HG LYS 27 2HG LYS 27 -5.292 -4.002 -1.993
662 1HD LYS 27 1HD LYS 27 -4.171 -3.176 -3.967
663 2HD LYS 27 2HD LYS 27 -5.368 -4.387 -4.430
664 1HE LYS 27 1HE LYS 27 -6.930 -2.610 -5.042
665 2HE LYS 27 2HE LYS 27 -5.739 -1.398 -4.575
666 1HZ LYS 27 1HZ LYS 27 -4.256 -2.608 -6.277
667 2HZ LYS 27 2HZ LYS 27 -5.711 -3.224 -6.884
668 3HZ LYS 27 3HZ LYS 27 -5.451 -1.552 -6.841
669 H ALA 28 H ALA 28 -8.970 -6.039 -1.417
670 HA ALA 28 HA ALA 28 -11.497 -5.427 -2.432
671 1HB ALA 28 1HB ALA 28 -12.107 -7.729 -1.540
672 2HB ALA 28 2HB ALA 28 -10.445 -7.817 -0.955
673 3HB ALA 28 3HB ALA 28 -10.764 -7.635 -2.681
674 H LYS 29 H LYS 29 -10.357 -5.635 0.901
675 HA LYS 29 HA LYS 29 -12.876 -5.612 2.169
676 1HB LYS 29 1HB LYS 29 -10.372 -4.320 3.259
677 2HB LYS 29 2HB LYS 29 -11.711 -5.005 4.167
678 1HG LYS 29 1HG LYS 29 -11.089 -7.242 3.294
679 2HG LYS 29 2HG LYS 29 -9.675 -6.498 2.538
680 1HD LYS 29 1HD LYS 29 -8.906 -5.745 4.746
681 2HD LYS 29 2HD LYS 29 -10.307 -6.514 5.492
682 1HE LYS 29 1HE LYS 29 -8.386 -7.948 5.729
683 2HE LYS 29 2HE LYS 29 -9.539 -8.689 4.619
684 1HZ LYS 29 1HZ LYS 29 -8.205 -7.896 2.766
685 2HZ LYS 29 2HZ LYS 29 -7.098 -7.192 3.833
686 3HZ LYS 29 3HZ LYS 29 -7.283 -8.874 3.793
687 H ILE 30 H ILE 30 -10.714 -3.072 1.056
688 HA ILE 30 HA ILE 30 -12.018 -0.850 2.089
689 HB ILE 30 HB ILE 30 -10.569 -1.106 -0.549
690 1HG1 ILE 30 1HG1 ILE 30 -9.624 -0.246 2.195
691 2HG1 ILE 30 2HG1 ILE 30 -9.192 -1.737 1.370
692 1HG2 ILE 30 1HG2 ILE 30 -11.479 1.302 1.015
693 2HG2 ILE 30 2HG2 ILE 30 -10.211 1.381 -0.209
694 3HG2 ILE 30 3HG2 ILE 30 -11.842 0.888 -0.661
695 1HD1 ILE 30 1HD1 ILE 30 -8.542 0.979 0.274
696 2HD1 ILE 30 2HD1 ILE 30 -7.463 0.076 1.336
697 3HD1 ILE 30 3HD1 ILE 30 -7.907 -0.584 -0.239
698 H GLN 31 H GLN 31 -12.788 -2.894 -0.642
699 HA GLN 31 HA GLN 31 -14.711 -1.242 -1.895
700 1HB GLN 31 1HB GLN 31 -14.729 -4.262 -1.746
701 2HB GLN 31 2HB GLN 31 -15.505 -3.265 -2.962
702 1HG GLN 31 1HG GLN 31 -13.367 -2.580 -3.828
703 2HG GLN 31 2HG GLN 31 -12.535 -3.456 -2.544
704 1HE2 GLN 31 2HE2 GLN 31 -13.547 -3.587 -5.673
705 2HE2 GLN 31 1HE2 GLN 31 -13.485 -5.293 -5.928
706 H ASP 32 H ASP 32 -14.950 -3.868 0.455
707 HA ASP 32 HA ASP 32 -17.701 -3.683 0.944
708 1HB ASP 32 1HB ASP 32 -16.322 -5.603 1.663
709 2HB ASP 32 2HB ASP 32 -15.507 -4.569 2.833
710 H LYS 33 H LYS 33 -14.948 -1.946 2.097
711 HA LYS 33 HA LYS 33 -16.174 -0.604 4.270
712 1HB LYS 33 1HB LYS 33 -13.675 -0.079 2.668
713 2HB LYS 33 2HB LYS 33 -14.159 0.928 4.028
714 1HG LYS 33 1HG LYS 33 -13.588 -2.028 4.142
715 2HG LYS 33 2HG LYS 33 -12.497 -0.743 4.666
716 1HD LYS 33 1HD LYS 33 -15.232 -1.292 5.817
717 2HD LYS 33 2HD LYS 33 -13.701 -1.769 6.551
718 1HE LYS 33 1HE LYS 33 -13.047 0.583 6.713
719 2HE LYS 33 2HE LYS 33 -14.575 1.060 5.977
720 1HZ LYS 33 1HZ LYS 33 -15.302 -0.530 8.072
721 2HZ LYS 33 2HZ LYS 33 -14.010 0.370 8.689
722 3HZ LYS 33 3HZ LYS 33 -15.358 1.160 8.039
723 H GLU 34 H GLU 34 -15.918 0.058 0.838
724 HA GLU 34 HA GLU 34 -17.763 2.306 1.191
725 1HB GLU 34 1HB GLU 34 -15.179 2.430 -0.367
726 2HB GLU 34 2HB GLU 34 -16.460 3.624 -0.499
727 1HG GLU 34 1HG GLU 34 -15.031 2.958 2.063
728 2HG GLU 34 2HG GLU 34 -14.582 4.280 0.987
729 H GLY 35 H GLY 35 -15.953 0.644 -1.409
730 1HA GLY 35 1HA GLY 35 -18.512 0.409 -2.867
731 2HA GLY 35 2HA GLY 35 -17.374 -0.924 -2.774
732 H ILE 36 H ILE 36 -14.990 0.519 -3.139
733 HA ILE 36 HA ILE 36 -15.330 1.621 -5.846
734 HB ILE 36 HB ILE 36 -12.691 2.039 -4.732
735 1HG1 ILE 36 1HG1 ILE 36 -13.532 3.854 -3.116
736 2HG1 ILE 36 2HG1 ILE 36 -15.064 2.990 -3.136
737 1HG2 ILE 36 1HG2 ILE 36 -14.782 3.497 -6.176
738 2HG2 ILE 36 2HG2 ILE 36 -13.763 4.494 -5.138
739 3HG2 ILE 36 3HG2 ILE 36 -13.031 3.496 -6.396
740 1HD1 ILE 36 1HD1 ILE 36 -13.016 1.104 -2.641
741 2HD1 ILE 36 2HD1 ILE 36 -12.767 2.484 -1.572
742 3HD1 ILE 36 3HD1 ILE 36 -14.312 1.635 -1.569
743 HA PRO 37 HA PRO 37 -13.440 -1.978 -7.603
744 1HB PRO 37 1HB PRO 37 -12.195 0.023 -9.431
745 2HB PRO 37 2HB PRO 37 -13.084 -1.452 -9.817
746 1HG PRO 37 1HG PRO 37 -14.235 0.927 -10.099
747 2HG PRO 37 2HG PRO 37 -15.152 -0.453 -9.466
748 1HD PRO 37 1HD PRO 37 -14.008 1.891 -8.014
749 2HD PRO 37 2HD PRO 37 -15.518 1.007 -7.720
750 HA PRO 38 HA PRO 38 -9.458 -2.088 -5.668
751 1HB PRO 38 1HB PRO 38 -8.792 -4.189 -7.641
752 2HB PRO 38 2HB PRO 38 -8.808 -4.265 -5.877
753 1HG PRO 38 1HG PRO 38 -10.701 -5.467 -7.335
754 2HG PRO 38 2HG PRO 38 -11.075 -4.699 -5.781
755 1HD PRO 38 1HD PRO 38 -11.571 -3.703 -8.558
756 2HD PRO 38 2HD PRO 38 -12.599 -3.579 -7.115
757 H ASP 39 H ASP 39 -9.603 -2.156 -9.215
758 HA ASP 39 HA ASP 39 -6.928 -1.500 -9.708
759 1HB ASP 39 1HB ASP 39 -7.709 -0.772 -11.937
760 2HB ASP 39 2HB ASP 39 -8.379 -2.332 -11.474
761 H GLN 40 H GLN 40 -9.746 0.544 -9.102
762 HA GLN 40 HA GLN 40 -8.522 2.993 -9.723
763 1HB GLN 40 1HB GLN 40 -10.795 2.388 -7.831
764 2HB GLN 40 2HB GLN 40 -10.344 4.000 -8.363
765 1HG GLN 40 1HG GLN 40 -10.820 3.375 -10.675
766 2HG GLN 40 2HG GLN 40 -11.271 1.757 -10.143
767 1HE2 GLN 40 2HE2 GLN 40 -12.288 3.676 -7.735
768 2HE2 GLN 40 1HE2 GLN 40 -13.899 3.998 -8.261
769 H GLN 41 H GLN 41 -8.680 1.118 -6.752
770 HA GLN 41 HA GLN 41 -7.587 3.011 -4.994
771 1HB GLN 41 1HB GLN 41 -7.376 -0.006 -4.929
772 2HB GLN 41 2HB GLN 41 -7.032 1.066 -3.577
773 1HG GLN 41 1HG GLN 41 -9.313 1.756 -3.455
774 2HG GLN 41 2HG GLN 41 -9.704 0.903 -4.945
775 1HE2 GLN 41 2HE2 GLN 41 -10.847 -0.837 -4.569
776 2HE2 GLN 41 1HE2 GLN 41 -10.653 -1.925 -3.241
777 H ARG 42 H ARG 42 -5.471 3.417 -4.315
778 HA ARG 42 HA ARG 42 -3.322 2.122 -5.802
779 1HB ARG 42 1HB ARG 42 -3.665 5.103 -5.502
780 2HB ARG 42 2HB ARG 42 -2.208 4.329 -6.108
781 1HG ARG 42 1HG ARG 42 -3.534 3.379 -7.967
782 2HG ARG 42 2HG ARG 42 -4.932 4.285 -7.385
783 1HD ARG 42 1HD ARG 42 -3.716 6.377 -7.691
784 2HD ARG 42 2HD ARG 42 -2.299 5.484 -8.237
785 HE ARG 42 HE ARG 42 -3.235 5.445 -10.305
786 1HH1 ARG 42 1HH1 ARG 42 -5.803 5.764 -7.970
787 2HH1 ARG 42 2HH1 ARG 42 -7.052 5.854 -9.166
788 1HH2 ARG 42 1HH2 ARG 42 -4.873 5.565 -11.884
789 2HH2 ARG 42 2HH2 ARG 42 -6.523 5.741 -11.390
790 H LEU 43 H LEU 43 -2.000 1.250 -4.356
791 HA LEU 43 HA LEU 43 -1.844 2.265 -1.669
792 1HB LEU 43 1HB LEU 43 0.041 0.452 -1.574
793 2HB LEU 43 2HB LEU 43 -1.647 -0.005 -1.590
794 HG LEU 43 HG LEU 43 -1.503 -0.548 -3.967
795 1HD1 LEU 43 1HD1 LEU 43 1.021 0.876 -3.763
796 2HD1 LEU 43 2HD1 LEU 43 1.172 -0.688 -4.564
797 3HD1 LEU 43 3HD1 LEU 43 0.032 0.511 -5.176
798 1HD2 LEU 43 1HD2 LEU 43 0.468 -1.797 -2.089
799 2HD2 LEU 43 2HD2 LEU 43 -1.103 -2.401 -2.617
800 3HD2 LEU 43 3HD2 LEU 43 0.262 -2.397 -3.734
801 H ILE 44 H ILE 44 -0.082 3.195 -0.655
802 HA ILE 44 HA ILE 44 2.211 3.955 -2.305
803 HB ILE 44 HB ILE 44 0.451 5.916 -0.839
804 1HG1 ILE 44 1HG1 ILE 44 1.344 5.751 -3.725
805 2HG1 ILE 44 2HG1 ILE 44 -0.254 5.326 -3.124
806 1HG2 ILE 44 1HG2 ILE 44 2.832 6.349 -0.376
807 2HG2 ILE 44 2HG2 ILE 44 3.134 6.430 -2.113
808 3HG2 ILE 44 3HG2 ILE 44 2.090 7.626 -1.343
809 1HD1 ILE 44 1HD1 ILE 44 -0.107 7.828 -2.215
810 2HD1 ILE 44 2HD1 ILE 44 0.944 7.967 -3.624
811 3HD1 ILE 44 3HD1 ILE 44 -0.719 7.414 -3.817
812 H PHE 45 H PHE 45 3.833 3.094 -1.187
813 HA PHE 45 HA PHE 45 3.773 2.936 1.696
814 1HB PHE 45 1HB PHE 45 5.986 2.164 -0.217
815 2HB PHE 45 2HB PHE 45 5.875 1.719 1.483
816 HD1 PHE 45 HD1 PHE 45 3.853 1.464 -1.647
817 HD2 PHE 45 HD2 PHE 45 5.082 -0.369 1.991
818 HE1 PHE 45 HE1 PHE 45 2.611 -0.570 -2.258
819 HE2 PHE 45 HE2 PHE 45 3.844 -2.407 1.385
820 HZ PHE 45 HZ PHE 45 2.607 -2.510 -0.742
821 H ALA 46 H ALA 46 5.157 3.990 3.127
822 HA ALA 46 HA ALA 46 7.114 5.877 2.148
823 1HB ALA 46 1HB ALA 46 6.027 7.817 2.416
824 2HB ALA 46 2HB ALA 46 5.220 7.275 3.886
825 3HB ALA 46 3HB ALA 46 4.565 6.837 2.307
826 H GLY 47 H GLY 47 8.757 5.906 3.525
827 1HA GLY 47 1HA GLY 47 10.007 5.432 5.394
828 2HA GLY 47 2HA GLY 47 8.641 4.518 6.006
829 H LYS 48 H LYS 48 10.615 6.678 7.030
830 HA LYS 48 HA LYS 48 8.872 7.801 8.962
831 1HB LYS 48 1HB LYS 48 11.248 7.320 9.401
832 2HB LYS 48 2HB LYS 48 11.707 8.576 8.259
833 1HG LYS 48 1HG LYS 48 11.908 9.395 10.518
834 2HG LYS 48 2HG LYS 48 10.612 10.251 9.682
835 1HD LYS 48 1HD LYS 48 9.920 9.688 11.937
836 2HD LYS 48 2HD LYS 48 8.965 8.780 10.766
837 1HE LYS 48 1HE LYS 48 9.640 7.366 12.634
838 2HE LYS 48 2HE LYS 48 10.368 6.818 11.125
839 1HZ LYS 48 1HZ LYS 48 11.972 8.700 12.619
840 2HZ LYS 48 2HZ LYS 48 11.718 7.224 13.408
841 3HZ LYS 48 3HZ LYS 48 12.418 7.252 11.868
842 H GLN 49 H GLN 49 7.304 8.757 7.479
843 HA GLN 49 HA GLN 49 7.946 10.991 5.872
844 1HB GLN 49 1HB GLN 49 5.335 10.312 7.248
845 2HB GLN 49 2HB GLN 49 5.529 11.479 5.948
846 1HG GLN 49 1HG GLN 49 6.217 9.691 4.439
847 2HG GLN 49 2HG GLN 49 6.033 8.519 5.743
848 1HE2 GLN 49 2HE2 GLN 49 4.227 7.413 5.650
849 2HE2 GLN 49 1HE2 GLN 49 2.714 7.970 5.028
850 H LEU 50 H LEU 50 8.890 12.747 6.674
851 HA LEU 50 HA LEU 50 9.072 13.507 9.314
852 1HB LEU 50 1HB LEU 50 9.232 15.156 6.803
853 2HB LEU 50 2HB LEU 50 9.548 15.832 8.388
854 HG LEU 50 HG LEU 50 11.628 15.270 7.249
855 1HD1 LEU 50 1HD1 LEU 50 10.634 13.394 5.900
856 2HD1 LEU 50 2HD1 LEU 50 12.224 13.076 6.591
857 3HD1 LEU 50 3HD1 LEU 50 10.784 12.386 7.339
858 1HD2 LEU 50 1HD2 LEU 50 10.850 14.373 9.826
859 2HD2 LEU 50 2HD2 LEU 50 11.962 13.190 9.140
860 3HD2 LEU 50 3HD2 LEU 50 12.444 14.881 9.269
861 H GLU 51 H GLU 51 6.931 13.159 10.143
862 HA GLU 51 HA GLU 51 4.759 14.842 9.360
863 1HB GLU 51 1HB GLU 51 3.666 13.953 11.424
864 2HB GLU 51 2HB GLU 51 4.254 12.710 10.330
865 1HG GLU 51 1HG GLU 51 6.229 12.410 11.737
866 2HG GLU 51 2HG GLU 51 5.619 13.641 12.841
No H/Q in entry = 866
Start of MODEL 4
1 H1 GLY -1 H1 GLY -1 3.643 -4.486 -17.000
2 H2 GLY -1 H2 GLY -1 5.250 -4.528 -17.526
3 H3 GLY -1 H3 GLY -1 4.061 -5.380 -18.374
4 1HA GLY -1 1HA GLY -1 5.660 -6.572 -16.678
5 2HA GLY -1 2HA GLY -1 4.000 -7.089 -16.916
6 H SER 0 H SER 0 3.326 -7.737 -14.966
7 HA SER 0 HA SER 0 2.630 -7.631 -12.805
8 1HB SER 0 1HB SER 0 5.067 -7.819 -12.422
9 2HB SER 0 2HB SER 0 5.195 -6.062 -12.435
10 HG SER 0 HG SER 0 3.308 -6.649 -10.714
11 H MET 1 H MET 1 3.803 -5.003 -11.329
12 HA MET 1 HA MET 1 2.215 -2.915 -12.442
13 1HB MET 1 1HB MET 1 0.654 -2.707 -10.504
14 2HB MET 1 2HB MET 1 0.363 -4.119 -11.509
15 1HG MET 1 1HG MET 1 1.405 -5.554 -9.902
16 2HG MET 1 2HG MET 1 1.925 -4.175 -8.939
17 1HE MET 1 1HE MET 1 0.397 -2.406 -8.318
18 2HE MET 1 2HE MET 1 -1.348 -2.448 -8.575
19 3HE MET 1 3HE MET 1 -0.674 -2.922 -7.015
20 H GLN 2 H GLN 2 3.407 -1.196 -12.066
21 HA GLN 2 HA GLN 2 5.403 -1.072 -10.060
22 1HB GLN 2 1HB GLN 2 5.696 1.256 -10.828
23 2HB GLN 2 2HB GLN 2 5.665 0.110 -12.162
24 1HG GLN 2 1HG GLN 2 3.297 0.690 -12.551
25 2HG GLN 2 2HG GLN 2 3.417 1.906 -11.280
26 1HE2 GLN 2 2HE2 GLN 2 3.702 3.875 -12.007
27 2HE2 GLN 2 1HE2 GLN 2 4.540 4.325 -13.450
28 H ILE 3 H ILE 3 5.399 -0.172 -8.083
29 HA ILE 3 HA ILE 3 2.853 0.912 -7.094
30 HB ILE 3 HB ILE 3 3.545 0.267 -4.864
31 1HG1 ILE 3 1HG1 ILE 3 6.056 -0.822 -6.154
32 2HG1 ILE 3 2HG1 ILE 3 5.978 0.635 -5.172
33 1HG2 ILE 3 1HG2 ILE 3 2.387 -1.399 -6.200
34 2HG2 ILE 3 2HG2 ILE 3 3.925 -1.981 -6.835
35 3HG2 ILE 3 3HG2 ILE 3 3.551 -2.167 -5.121
36 1HD1 ILE 3 1HD1 ILE 3 4.837 -1.614 -3.780
37 2HD1 ILE 3 2HD1 ILE 3 6.490 -1.944 -4.304
38 3HD1 ILE 3 3HD1 ILE 3 6.148 -0.533 -3.302
39 H PHE 4 H PHE 4 2.805 2.818 -5.934
40 HA PHE 4 HA PHE 4 5.087 4.577 -6.352
41 1HB PHE 4 1HB PHE 4 2.299 5.125 -5.309
42 2HB PHE 4 2HB PHE 4 3.537 6.355 -5.524
43 HD1 PHE 4 HD1 PHE 4 3.123 7.697 -7.320
44 HD2 PHE 4 HD2 PHE 4 2.236 3.545 -7.624
45 HE1 PHE 4 HE1 PHE 4 2.401 8.025 -9.650
46 HE2 PHE 4 HE2 PHE 4 1.517 3.865 -9.955
47 HZ PHE 4 HZ PHE 4 1.599 6.107 -10.970
48 H VAL 5 H VAL 5 6.485 5.146 -4.793
49 HA VAL 5 HA VAL 5 5.730 4.932 -1.986
50 HB VAL 5 HB VAL 5 8.056 3.393 -3.152
51 1HG1 VAL 5 1HG1 VAL 5 7.823 4.586 -0.607
52 2HG1 VAL 5 2HG1 VAL 5 7.611 2.849 -0.388
53 3HG1 VAL 5 3HG1 VAL 5 9.062 3.468 -1.176
54 1HG2 VAL 5 1HG2 VAL 5 5.352 2.660 -2.259
55 2HG2 VAL 5 2HG2 VAL 5 6.429 1.860 -3.406
56 3HG2 VAL 5 3HG2 VAL 5 6.652 1.622 -1.673
57 H LYS 6 H LYS 6 6.563 6.565 -0.850
58 HA LYS 6 HA LYS 6 8.436 8.363 -2.138
59 1HB LYS 6 1HB LYS 6 7.050 8.554 0.542
60 2HB LYS 6 2HB LYS 6 8.012 9.825 -0.197
61 1HG LYS 6 1HG LYS 6 6.427 9.952 -2.050
62 2HG LYS 6 2HG LYS 6 5.463 8.674 -1.311
63 1HD LYS 6 1HD LYS 6 5.086 10.090 0.647
64 2HD LYS 6 2HD LYS 6 6.051 11.368 -0.089
65 1HE LYS 6 1HE LYS 6 4.460 11.500 -1.943
66 2HE LYS 6 2HE LYS 6 3.494 10.225 -1.204
67 1HZ LYS 6 1HZ LYS 6 4.035 12.430 0.561
68 2HZ LYS 6 2HZ LYS 6 3.143 12.872 -0.808
69 3HZ LYS 6 3HZ LYS 6 2.572 11.654 0.217
70 H THR 7 H THR 7 10.562 8.412 -1.779
71 HA THR 7 HA THR 7 11.782 6.519 -0.022
72 HB THR 7 HB THR 7 13.922 7.551 -0.725
73 HG1 THR 7 HG1 THR 7 12.393 9.640 -1.236
74 1HG2 THR 7 1HG2 THR 7 12.591 5.851 -2.117
75 2HG2 THR 7 2HG2 THR 7 12.196 7.217 -3.161
76 3HG2 THR 7 3HG2 THR 7 13.879 6.745 -2.925
77 H LEU 8 H LEU 8 14.012 8.127 0.854
78 HA LEU 8 HA LEU 8 12.915 9.066 3.323
79 1HB LEU 8 1HB LEU 8 15.726 9.349 2.262
80 2HB LEU 8 2HB LEU 8 15.221 9.596 3.921
81 HG LEU 8 HG LEU 8 15.271 6.984 2.409
82 1HD1 LEU 8 1HD1 LEU 8 16.998 8.302 4.405
83 2HD1 LEU 8 2HD1 LEU 8 16.692 6.581 4.637
84 3HD1 LEU 8 3HD1 LEU 8 17.404 7.153 3.130
85 1HD2 LEU 8 1HD2 LEU 8 13.342 7.502 4.140
86 2HD2 LEU 8 2HD2 LEU 8 14.142 5.933 4.074
87 3HD2 LEU 8 3HD2 LEU 8 14.616 7.114 5.295
88 H THR 9 H THR 9 14.608 10.651 0.623
89 HA THR 9 HA THR 9 14.259 13.274 1.689
90 HB THR 9 HB THR 9 15.066 14.066 -0.498
91 HG1 THR 9 HG1 THR 9 15.382 11.390 -1.330
92 1HG2 THR 9 1HG2 THR 9 16.585 13.102 1.333
93 2HG2 THR 9 2HG2 THR 9 16.735 11.692 0.282
94 3HG2 THR 9 3HG2 THR 9 17.264 13.277 -0.286
95 H GLY 10 H GLY 10 12.641 11.434 -0.896
96 1HA GLY 10 1HA GLY 10 10.775 13.600 -1.373
97 2HA GLY 10 2HA GLY 10 10.089 12.215 -0.543
98 H LYS 11 H LYS 11 12.605 11.966 -2.967
99 HA LYS 11 HA LYS 11 11.232 11.713 -5.306
100 1HB LYS 11 1HB LYS 11 13.670 11.580 -5.151
101 2HB LYS 11 2HB LYS 11 13.549 9.999 -4.395
102 1HG LYS 11 1HG LYS 11 12.459 9.156 -6.462
103 2HG LYS 11 2HG LYS 11 12.772 10.724 -7.210
104 1HD LYS 11 1HD LYS 11 15.183 10.404 -6.812
105 2HD LYS 11 2HD LYS 11 14.842 8.811 -6.133
106 1HE LYS 11 1HE LYS 11 15.562 8.632 -8.453
107 2HE LYS 11 2HE LYS 11 13.891 8.099 -8.267
108 1HZ LYS 11 1HZ LYS 11 14.394 10.893 -8.995
109 2HZ LYS 11 2HZ LYS 11 14.584 9.708 -10.187
110 3HZ LYS 11 3HZ LYS 11 13.094 9.891 -9.404
111 H THR 12 H THR 12 9.801 10.368 -6.177
112 HA THR 12 HA THR 12 8.827 8.129 -4.615
113 HB THR 12 HB THR 12 7.875 9.161 -7.292
114 HG1 THR 12 HG1 THR 12 6.101 9.796 -5.582
115 1HG2 THR 12 1HG2 THR 12 7.318 6.755 -6.566
116 2HG2 THR 12 2HG2 THR 12 6.293 7.510 -5.346
117 3HG2 THR 12 3HG2 THR 12 5.985 7.800 -7.057
118 H ILE 13 H ILE 13 9.125 6.010 -5.063
119 HA ILE 13 HA ILE 13 10.912 5.358 -7.293
120 HB ILE 13 HB ILE 13 11.036 3.100 -6.111
121 1HG1 ILE 13 1HG1 ILE 13 9.865 4.749 -3.867
122 2HG1 ILE 13 2HG1 ILE 13 9.067 3.408 -4.683
123 1HG2 ILE 13 1HG2 ILE 13 12.277 5.645 -5.367
124 2HG2 ILE 13 2HG2 ILE 13 12.442 4.343 -4.184
125 3HG2 ILE 13 3HG2 ILE 13 13.002 4.106 -5.840
126 1HD1 ILE 13 1HD1 ILE 13 11.706 2.859 -3.483
127 2HD1 ILE 13 2HD1 ILE 13 10.357 3.137 -2.381
128 3HD1 ILE 13 3HD1 ILE 13 10.265 1.848 -3.580
129 H THR 14 H THR 14 10.234 4.261 -8.998
130 HA THR 14 HA THR 14 7.519 3.170 -8.982
131 HB THR 14 HB THR 14 9.313 3.150 -11.396
132 HG1 THR 14 HG1 THR 14 9.148 5.264 -11.626
133 1HG2 THR 14 1HG2 THR 14 6.417 2.995 -10.788
134 2HG2 THR 14 2HG2 THR 14 6.879 3.840 -12.266
135 3HG2 THR 14 3HG2 THR 14 7.359 2.161 -12.024
136 H LEU 15 H LEU 15 7.324 1.074 -8.432
137 HA LEU 15 HA LEU 15 9.373 -0.802 -9.347
138 1HB LEU 15 1HB LEU 15 10.212 -0.274 -7.220
139 2HB LEU 15 2HB LEU 15 8.614 -0.209 -6.506
140 HG LEU 15 HG LEU 15 9.610 -2.841 -7.510
141 1HD1 LEU 15 1HD1 LEU 15 11.170 -1.357 -5.805
142 2HD1 LEU 15 2HD1 LEU 15 10.182 -2.315 -4.702
143 3HD1 LEU 15 3HD1 LEU 15 11.165 -3.116 -5.929
144 1HD2 LEU 15 1HD2 LEU 15 7.388 -1.870 -6.057
145 2HD2 LEU 15 2HD2 LEU 15 7.777 -3.540 -6.467
146 3HD2 LEU 15 3HD2 LEU 15 8.356 -2.847 -4.953
147 H GLU 16 H GLU 16 8.364 -2.322 -10.435
148 HA GLU 16 HA GLU 16 5.583 -2.908 -10.076
149 1HB GLU 16 1HB GLU 16 5.890 -4.501 -11.899
150 2HB GLU 16 2HB GLU 16 6.632 -2.957 -12.297
151 1HG GLU 16 1HG GLU 16 8.826 -3.855 -11.727
152 2HG GLU 16 2HG GLU 16 8.087 -5.400 -11.310
153 H VAL 17 H VAL 17 4.641 -4.766 -9.272
154 HA VAL 17 HA VAL 17 6.123 -7.036 -8.420
155 HB VAL 17 HB VAL 17 6.782 -5.402 -6.656
156 1HG1 VAL 17 1HG1 VAL 17 6.100 -8.038 -6.406
157 2HG1 VAL 17 2HG1 VAL 17 6.956 -7.079 -5.199
158 3HG1 VAL 17 3HG1 VAL 17 5.209 -7.285 -5.084
159 1HG2 VAL 17 1HG2 VAL 17 3.831 -5.431 -6.075
160 2HG2 VAL 17 2HG2 VAL 17 5.048 -4.867 -4.930
161 3HG2 VAL 17 3HG2 VAL 17 4.843 -4.042 -6.475
162 H GLU 18 H GLU 18 4.795 -8.753 -8.097
163 HA GLU 18 HA GLU 18 2.217 -8.757 -9.050
164 1HB GLU 18 1HB GLU 18 3.338 -10.677 -7.005
165 2HB GLU 18 2HB GLU 18 1.992 -10.981 -8.096
166 1HG GLU 18 1HG GLU 18 3.508 -10.775 -10.008
167 2HG GLU 18 2HG GLU 18 4.853 -10.507 -8.900
168 HA PRO 19 HA PRO 19 -0.335 -7.004 -5.876
169 1HB PRO 19 1HB PRO 19 -2.689 -8.192 -6.543
170 2HB PRO 19 2HB PRO 19 -2.000 -6.851 -7.453
171 1HG PRO 19 1HG PRO 19 -1.867 -9.785 -8.016
172 2HG PRO 19 2HG PRO 19 -2.220 -8.455 -9.130
173 1HD PRO 19 1HD PRO 19 0.214 -9.573 -9.025
174 2HD PRO 19 2HD PRO 19 0.007 -7.830 -9.280
175 H SER 20 H SER 20 -0.675 -10.476 -6.537
176 HA SER 20 HA SER 20 -1.825 -11.169 -4.061
177 1HB SER 20 1HB SER 20 -0.165 -12.875 -5.933
178 2HB SER 20 2HB SER 20 -1.199 -13.478 -4.641
179 HG SER 20 HG SER 20 -1.995 -13.259 -6.987
180 H ASP 21 H ASP 21 1.396 -10.432 -5.007
181 HA ASP 21 HA ASP 21 2.919 -11.818 -3.150
182 1HB ASP 21 1HB ASP 21 3.880 -10.479 -4.980
183 2HB ASP 21 2HB ASP 21 3.353 -9.003 -4.178
184 H THR 22 H THR 22 3.230 -11.673 -1.010
185 HA THR 22 HA THR 22 1.449 -10.338 0.653
186 HB THR 22 HB THR 22 3.002 -10.861 2.506
187 HG1 THR 22 HG1 THR 22 4.752 -11.144 0.378
188 1HG2 THR 22 1HG2 THR 22 1.435 -12.546 1.402
189 2HG2 THR 22 2HG2 THR 22 2.877 -13.207 0.630
190 3HG2 THR 22 3HG2 THR 22 2.744 -13.196 2.390
191 H ILE 23 H ILE 23 1.500 -8.489 1.842
192 HA ILE 23 HA ILE 23 2.707 -6.216 0.803
193 HB ILE 23 HB ILE 23 1.791 -6.636 3.653
194 1HG1 ILE 23 1HG1 ILE 23 0.295 -5.556 1.251
195 2HG1 ILE 23 2HG1 ILE 23 0.045 -7.139 1.980
196 1HG2 ILE 23 1HG2 ILE 23 3.120 -4.456 2.472
197 2HG2 ILE 23 2HG2 ILE 23 1.435 -3.975 2.664
198 3HG2 ILE 23 3HG2 ILE 23 2.358 -4.529 4.060
199 1HD1 ILE 23 1HD1 ILE 23 -0.266 -4.670 3.628
200 2HD1 ILE 23 2HD1 ILE 23 -1.562 -5.201 2.554
201 3HD1 ILE 23 3HD1 ILE 23 -0.993 -6.263 3.843
202 H GLU 24 H GLU 24 3.830 -8.425 3.294
203 HA GLU 24 HA GLU 24 5.957 -6.869 4.274
204 1HB GLU 24 1HB GLU 24 6.833 -8.971 5.178
205 2HB GLU 24 2HB GLU 24 5.108 -8.819 5.467
206 1HG GLU 24 1HG GLU 24 4.668 -10.309 3.574
207 2HG GLU 24 2HG GLU 24 6.401 -10.478 3.318
208 H ASN 25 H ASN 25 5.740 -9.101 1.548
209 HA ASN 25 HA ASN 25 8.546 -9.099 1.015
210 1HB ASN 25 1HB ASN 25 6.192 -9.953 -0.667
211 2HB ASN 25 2HB ASN 25 7.869 -10.168 -1.147
212 1HD2 ASN 25 2HD2 ASN 25 7.851 -10.473 2.111
213 2HD2 ASN 25 1HD2 ASN 25 7.665 -12.183 2.244
214 H VAL 26 H VAL 26 5.761 -7.496 -0.545
215 HA VAL 26 HA VAL 26 7.137 -6.202 -2.570
216 HB VAL 26 HB VAL 26 5.335 -4.514 -2.554
217 1HG1 VAL 26 1HG1 VAL 26 5.158 -7.219 -3.119
218 2HG1 VAL 26 2HG1 VAL 26 3.682 -6.858 -2.223
219 3HG1 VAL 26 3HG1 VAL 26 4.072 -5.949 -3.684
220 1HG2 VAL 26 1HG2 VAL 26 5.003 -4.321 -0.154
221 2HG2 VAL 26 2HG2 VAL 26 3.489 -4.712 -0.969
222 3HG2 VAL 26 3HG2 VAL 26 4.373 -5.967 -0.102
223 H LYS 27 H LYS 27 6.613 -5.179 0.777
224 HA LYS 27 HA LYS 27 7.905 -2.659 0.485
225 1HB LYS 27 1HB LYS 27 7.382 -4.294 2.975
226 2HB LYS 27 2HB LYS 27 7.878 -2.607 2.950
227 1HG LYS 27 1HG LYS 27 5.805 -2.014 1.800
228 2HG LYS 27 2HG LYS 27 5.308 -3.707 1.831
229 1HD LYS 27 1HD LYS 27 5.838 -1.986 4.251
230 2HD LYS 27 2HD LYS 27 4.248 -2.414 3.625
231 1HE LYS 27 1HE LYS 27 4.735 -4.782 4.022
232 2HE LYS 27 2HE LYS 27 6.319 -4.346 4.659
233 1HZ LYS 27 1HZ LYS 27 4.007 -3.058 5.879
234 2HZ LYS 27 2HZ LYS 27 4.220 -4.705 6.204
235 3HZ LYS 27 3HZ LYS 27 5.443 -3.603 6.588
236 H ALA 28 H ALA 28 8.936 -5.871 1.499
237 HA ALA 28 HA ALA 28 11.469 -5.269 2.482
238 1HB ALA 28 1HB ALA 28 11.378 -7.757 0.967
239 2HB ALA 28 2HB ALA 28 11.676 -7.484 2.684
240 3HB ALA 28 3HB ALA 28 10.021 -7.564 2.077
241 H LYS 29 H LYS 29 10.343 -5.649 -0.825
242 HA LYS 29 HA LYS 29 12.897 -5.725 -2.046
243 1HB LYS 29 1HB LYS 29 10.848 -6.483 -3.188
244 2HB LYS 29 2HB LYS 29 10.238 -4.835 -3.189
245 1HG LYS 29 1HG LYS 29 12.020 -4.130 -4.651
246 2HG LYS 29 2HG LYS 29 12.748 -5.738 -4.585
247 1HD LYS 29 1HD LYS 29 10.751 -6.683 -5.638
248 2HD LYS 29 2HD LYS 29 10.023 -5.079 -5.700
249 1HE LYS 29 1HE LYS 29 11.843 -4.310 -7.143
250 2HE LYS 29 2HE LYS 29 12.567 -5.915 -7.084
251 1HZ LYS 29 1HZ LYS 29 9.797 -5.839 -7.926
252 2HZ LYS 29 2HZ LYS 29 10.888 -5.108 -8.992
253 3HZ LYS 29 3HZ LYS 29 11.095 -6.728 -8.547
254 H ILE 30 H ILE 30 10.676 -3.140 -1.161
255 HA ILE 30 HA ILE 30 11.966 -1.002 -2.430
256 HB ILE 30 HB ILE 30 10.535 -0.928 0.231
257 1HG1 ILE 30 1HG1 ILE 30 9.425 -0.531 -2.556
258 2HG1 ILE 30 2HG1 ILE 30 9.169 -1.957 -1.561
259 1HG2 ILE 30 1HG2 ILE 30 11.275 1.199 -1.765
260 2HG2 ILE 30 2HG2 ILE 30 10.038 1.438 -0.529
261 3HG2 ILE 30 3HG2 ILE 30 11.704 1.103 -0.057
262 1HD1 ILE 30 1HD1 ILE 30 8.369 0.758 -0.599
263 2HD1 ILE 30 2HD1 ILE 30 7.324 -0.193 -1.654
264 3HD1 ILE 30 3HD1 ILE 30 7.792 -0.823 -0.075
265 H GLN 31 H GLN 31 12.551 -2.672 0.583
266 HA GLN 31 HA GLN 31 14.455 -0.963 1.735
267 1HB GLN 31 1HB GLN 31 13.464 -2.715 3.042
268 2HB GLN 31 2HB GLN 31 13.992 -3.941 1.899
269 1HG GLN 31 1HG GLN 31 16.323 -3.469 2.517
270 2HG GLN 31 2HG GLN 31 15.745 -2.321 3.724
271 1HE2 GLN 31 2HE2 GLN 31 15.497 -3.079 5.695
272 2HE2 GLN 31 1HE2 GLN 31 15.274 -4.736 6.128
273 H ASP 32 H ASP 32 14.769 -3.837 -0.298
274 HA ASP 32 HA ASP 32 17.552 -3.789 -0.590
275 1HB ASP 32 1HB ASP 32 16.175 -5.732 -1.184
276 2HB ASP 32 2HB ASP 32 15.431 -4.817 -2.487
277 H LYS 33 H LYS 33 14.949 -2.125 -2.162
278 HA LYS 33 HA LYS 33 16.398 -1.051 -4.348
279 1HB LYS 33 1HB LYS 33 13.786 -0.335 -3.031
280 2HB LYS 33 2HB LYS 33 14.420 0.575 -4.398
281 1HG LYS 33 1HG LYS 33 13.803 -2.373 -4.394
282 2HG LYS 33 2HG LYS 33 12.776 -1.111 -5.070
283 1HD LYS 33 1HD LYS 33 15.585 -1.742 -5.967
284 2HD LYS 33 2HD LYS 33 14.111 -2.246 -6.796
285 1HE LYS 33 1HE LYS 33 13.500 0.099 -7.134
286 2HE LYS 33 2HE LYS 33 14.972 0.603 -6.306
287 1HZ LYS 33 1HZ LYS 33 16.139 -0.800 -8.093
288 2HZ LYS 33 2HZ LYS 33 14.684 -0.673 -8.946
289 3HZ LYS 33 3HZ LYS 33 15.543 0.722 -8.526
290 H GLU 34 H GLU 34 15.761 0.045 -1.064
291 HA GLU 34 HA GLU 34 17.712 2.199 -1.482
292 1HB GLU 34 1HB GLU 34 15.081 2.491 -0.021
293 2HB GLU 34 2HB GLU 34 16.346 3.708 -0.077
294 1HG GLU 34 1HG GLU 34 14.850 2.654 -2.466
295 2HG GLU 34 2HG GLU 34 14.506 4.168 -1.632
296 H GLY 35 H GLY 35 15.710 0.918 1.203
297 1HA GLY 35 1HA GLY 35 17.950 1.134 3.013
298 2HA GLY 35 2HA GLY 35 17.551 -0.518 2.577
299 H ILE 36 H ILE 36 15.299 2.164 3.087
300 HA ILE 36 HA ILE 36 14.591 1.862 5.680
301 HB ILE 36 HB ILE 36 12.119 2.213 4.635
302 1HG1 ILE 36 1HG1 ILE 36 12.363 3.633 2.621
303 2HG1 ILE 36 2HG1 ILE 36 14.080 3.262 2.573
304 1HG2 ILE 36 1HG2 ILE 36 14.308 3.898 5.547
305 2HG2 ILE 36 2HG2 ILE 36 13.175 4.738 4.487
306 3HG2 ILE 36 3HG2 ILE 36 12.591 3.941 5.948
307 1HD1 ILE 36 1HD1 ILE 36 12.179 0.992 2.527
308 2HD1 ILE 36 2HD1 ILE 36 12.329 1.987 1.078
309 3HD1 ILE 36 3HD1 ILE 36 13.748 1.177 1.743
310 HA PRO 37 HA PRO 37 13.335 -2.381 6.294
311 1HB PRO 37 1HB PRO 37 11.807 -0.893 8.394
312 2HB PRO 37 2HB PRO 37 12.715 -2.404 8.539
313 1HG PRO 37 1HG PRO 37 13.773 -0.148 9.421
314 2HG PRO 37 2HG PRO 37 14.777 -1.298 8.516
315 1HD PRO 37 1HD PRO 37 13.606 1.296 7.636
316 2HD PRO 37 2HD PRO 37 15.142 0.538 7.177
317 HA PRO 38 HA PRO 38 9.426 -2.541 4.188
318 1HB PRO 38 1HB PRO 38 8.485 -4.899 5.272
319 2HB PRO 38 2HB PRO 38 9.610 -4.796 3.917
320 1HG PRO 38 1HG PRO 38 10.169 -5.279 6.813
321 2HG PRO 38 2HG PRO 38 10.903 -6.037 5.389
322 1HD PRO 38 1HD PRO 38 12.172 -4.114 6.759
323 2HD PRO 38 2HD PRO 38 12.301 -4.228 4.992
324 H ASP 39 H ASP 39 9.507 -3.153 7.677
325 HA ASP 39 HA ASP 39 6.765 -2.800 8.164
326 1HB ASP 39 1HB ASP 39 7.450 -2.421 10.526
327 2HB ASP 39 2HB ASP 39 8.168 -3.863 9.815
328 H GLN 40 H GLN 40 9.429 -0.497 7.988
329 HA GLN 40 HA GLN 40 8.093 1.710 9.071
330 1HB GLN 40 1HB GLN 40 10.336 1.552 7.066
331 2HB GLN 40 2HB GLN 40 9.765 3.062 7.756
332 1HG GLN 40 1HG GLN 40 10.352 2.287 9.984
333 2HG GLN 40 2HG GLN 40 10.885 0.745 9.317
334 1HE2 GLN 40 2HE2 GLN 40 11.702 2.906 7.045
335 2HE2 GLN 40 1HE2 GLN 40 13.311 3.288 7.538
336 H GLN 41 H GLN 41 8.130 0.394 5.809
337 HA GLN 41 HA GLN 41 7.038 2.474 4.363
338 1HB GLN 41 1HB GLN 41 6.417 -0.473 4.092
339 2HB GLN 41 2HB GLN 41 6.093 0.746 2.871
340 1HG GLN 41 1HG GLN 41 8.815 -0.011 3.906
341 2HG GLN 41 2HG GLN 41 8.108 -0.541 2.379
342 1HE2 GLN 41 2HE2 GLN 41 10.347 1.410 3.505
343 2HE2 GLN 41 1HE2 GLN 41 10.251 2.720 2.385
344 H ARG 42 H ARG 42 5.207 3.593 4.551
345 HA ARG 42 HA ARG 42 3.120 2.653 6.289
346 1HB ARG 42 1HB ARG 42 3.438 5.230 4.763
347 2HB ARG 42 2HB ARG 42 2.086 4.880 5.830
348 1HG ARG 42 1HG ARG 42 3.643 4.653 7.710
349 2HG ARG 42 2HG ARG 42 4.981 5.053 6.633
350 1HD ARG 42 1HD ARG 42 2.620 6.829 7.238
351 2HD ARG 42 2HD ARG 42 4.236 6.999 7.926
352 HE ARG 42 HE ARG 42 4.457 7.029 5.139
353 1HH1 ARG 42 1HH1 ARG 42 3.151 8.977 7.715
354 2HH1 ARG 42 2HH1 ARG 42 3.356 10.471 6.862
355 1HH2 ARG 42 1HH2 ARG 42 4.730 8.991 4.009
356 2HH2 ARG 42 2HH2 ARG 42 4.253 10.479 4.756
357 H LEU 43 H LEU 43 1.396 1.535 5.636
358 HA LEU 43 HA LEU 43 0.888 1.049 2.879
359 1HB LEU 43 1HB LEU 43 -0.607 0.392 5.403
360 2HB LEU 43 2HB LEU 43 -1.281 0.030 3.826
361 HG LEU 43 HG LEU 43 0.652 -1.403 3.329
362 1HD1 LEU 43 1HD1 LEU 43 2.263 -0.187 4.783
363 2HD1 LEU 43 2HD1 LEU 43 1.489 -0.932 6.182
364 3HD1 LEU 43 3HD1 LEU 43 2.298 -1.940 4.983
365 1HD2 LEU 43 1HD2 LEU 43 -1.401 -2.300 4.396
366 2HD2 LEU 43 2HD2 LEU 43 0.054 -3.231 4.748
367 3HD2 LEU 43 3HD2 LEU 43 -0.607 -2.135 5.961
368 H ILE 44 H ILE 44 -0.186 2.264 1.491
369 HA ILE 44 HA ILE 44 -2.394 3.936 2.421
370 HB ILE 44 HB ILE 44 -0.128 5.029 0.752
371 1HG1 ILE 44 1HG1 ILE 44 -0.975 5.678 3.588
372 2HG1 ILE 44 2HG1 ILE 44 0.462 4.770 3.133
373 1HG2 ILE 44 1HG2 ILE 44 -2.721 6.235 1.692
374 2HG2 ILE 44 2HG2 ILE 44 -1.367 7.192 1.090
375 3HG2 ILE 44 3HG2 ILE 44 -2.162 6.026 0.033
376 1HD1 ILE 44 1HD1 ILE 44 0.378 7.315 1.795
377 2HD1 ILE 44 2HD1 ILE 44 0.267 7.497 3.546
378 3HD1 ILE 44 3HD1 ILE 44 1.624 6.622 2.835
379 H PHE 45 H PHE 45 -4.065 3.951 1.040
380 HA PHE 45 HA PHE 45 -3.616 3.169 -1.749
381 1HB PHE 45 1HB PHE 45 -5.684 1.951 0.093
382 2HB PHE 45 2HB PHE 45 -5.631 1.704 -1.650
383 HD1 PHE 45 HD1 PHE 45 -3.607 1.253 1.437
384 HD2 PHE 45 HD2 PHE 45 -4.392 -0.038 -2.541
385 HE1 PHE 45 HE1 PHE 45 -2.076 -0.645 1.756
386 HE2 PHE 45 HE2 PHE 45 -2.863 -1.940 -2.228
387 HZ PHE 45 HZ PHE 45 -1.704 -2.246 -0.078
388 H ALA 46 H ALA 46 -5.151 3.962 -3.244
389 HA ALA 46 HA ALA 46 -7.331 5.611 -2.258
390 1HB ALA 46 1HB ALA 46 -5.610 7.237 -2.120
391 2HB ALA 46 2HB ALA 46 -4.969 6.792 -3.702
392 3HB ALA 46 3HB ALA 46 -6.532 7.598 -3.579
393 H GLY 47 H GLY 47 -9.013 5.566 -3.601
394 1HA GLY 47 1HA GLY 47 -10.306 5.054 -5.424
395 2HA GLY 47 2HA GLY 47 -9.045 3.921 -5.877
396 H LYS 48 H LYS 48 -9.050 4.307 -8.048
397 HA LYS 48 HA LYS 48 -7.557 6.524 -9.005
398 1HB LYS 48 1HB LYS 48 -9.211 4.509 -10.533
399 2HB LYS 48 2HB LYS 48 -8.043 5.614 -11.241
400 1HG LYS 48 1HG LYS 48 -7.423 3.431 -9.260
401 2HG LYS 48 2HG LYS 48 -7.128 3.368 -10.997
402 1HD LYS 48 1HD LYS 48 -5.895 5.357 -9.093
403 2HD LYS 48 2HD LYS 48 -5.094 3.917 -9.722
404 1HE LYS 48 1HE LYS 48 -6.127 6.228 -11.364
405 2HE LYS 48 2HE LYS 48 -4.438 5.918 -10.962
406 1HZ LYS 48 1HZ LYS 48 -5.024 3.615 -12.070
407 2HZ LYS 48 2HZ LYS 48 -6.171 4.560 -12.880
408 3HZ LYS 48 3HZ LYS 48 -4.527 4.943 -12.990
409 H GLN 49 H GLN 49 -8.883 8.199 -8.040
410 HA GLN 49 HA GLN 49 -11.474 8.781 -9.029
411 1HB GLN 49 1HB GLN 49 -10.321 9.683 -6.914
412 2HB GLN 49 2HB GLN 49 -9.494 10.806 -7.984
413 1HG GLN 49 1HG GLN 49 -11.405 11.869 -6.987
414 2HG GLN 49 2HG GLN 49 -11.660 11.677 -8.721
415 1HE2 GLN 49 2HE2 GLN 49 -13.600 11.025 -9.262
416 2HE2 GLN 49 1HE2 GLN 49 -14.657 10.049 -8.305
417 H LEU 50 H LEU 50 -11.567 8.777 -11.216
418 HA LEU 50 HA LEU 50 -9.747 9.498 -13.087
419 1HB LEU 50 1HB LEU 50 -12.715 10.013 -13.246
420 2HB LEU 50 2HB LEU 50 -11.621 10.017 -14.614
421 HG LEU 50 HG LEU 50 -12.670 7.929 -14.708
422 1HD1 LEU 50 1HD1 LEU 50 -10.053 7.558 -13.268
423 2HD1 LEU 50 2HD1 LEU 50 -10.925 6.280 -14.115
424 3HD1 LEU 50 3HD1 LEU 50 -10.309 7.668 -15.011
425 1HD2 LEU 50 1HD2 LEU 50 -13.656 8.066 -12.436
426 2HD2 LEU 50 2HD2 LEU 50 -13.058 6.467 -12.872
427 3HD2 LEU 50 3HD2 LEU 50 -12.120 7.491 -11.787
428 H GLU 51 H GLU 51 -8.544 11.253 -12.181
429 HA GLU 51 HA GLU 51 -9.132 13.730 -13.384
430 1HB GLU 51 1HB GLU 51 -9.546 15.130 -11.433
431 2HB GLU 51 2HB GLU 51 -10.803 13.914 -11.591
432 1HG GLU 51 1HG GLU 51 -9.727 12.572 -9.858
433 2HG GLU 51 2HG GLU 51 -8.466 13.794 -9.699
434 H1 GLY -1 H1 GLY -1 -3.769 -4.418 17.059
435 H2 GLY -1 H2 GLY -1 -5.385 -4.491 17.552
436 H3 GLY -1 H3 GLY -1 -4.194 -5.304 18.437
437 1HA GLY -1 1HA GLY -1 -5.721 -6.576 16.748
438 2HA GLY -1 2HA GLY -1 -4.039 -7.020 16.984
439 H SER 0 H SER 0 -3.349 -7.661 15.039
440 HA SER 0 HA SER 0 -2.672 -7.557 12.873
441 1HB SER 0 1HB SER 0 -5.100 -7.806 12.488
442 2HB SER 0 2HB SER 0 -5.275 -6.053 12.503
443 HG SER 0 HG SER 0 -3.370 -6.601 10.778
444 H MET 1 H MET 1 -3.913 -4.950 11.397
445 HA MET 1 HA MET 1 -2.368 -2.828 12.498
446 1HB MET 1 1HB MET 1 -0.798 -2.607 10.562
447 2HB MET 1 2HB MET 1 -0.484 -3.996 11.593
448 1HG MET 1 1HG MET 1 -1.507 -5.475 10.000
449 2HG MET 1 2HG MET 1 -2.008 -4.116 9.001
450 1HE MET 1 1HE MET 1 -0.466 -2.352 8.389
451 2HE MET 1 2HE MET 1 1.275 -2.391 8.674
452 3HE MET 1 3HE MET 1 0.626 -2.891 7.112
453 H GLN 2 H GLN 2 -3.633 -1.155 12.117
454 HA GLN 2 HA GLN 2 -5.593 -1.075 10.078
455 1HB GLN 2 1HB GLN 2 -5.940 1.255 10.824
456 2HB GLN 2 2HB GLN 2 -5.910 0.120 12.165
457 1HG GLN 2 1HG GLN 2 -3.578 0.746 12.617
458 2HG GLN 2 2HG GLN 2 -3.657 1.920 11.305
459 1HE2 GLN 2 2HE2 GLN 2 -3.916 3.906 11.991
460 2HE2 GLN 2 1HE2 GLN 2 -4.822 4.404 13.375
461 H ILE 3 H ILE 3 -5.510 -0.326 8.055
462 HA ILE 3 HA ILE 3 -2.983 0.834 7.121
463 HB ILE 3 HB ILE 3 -3.668 0.202 4.873
464 1HG1 ILE 3 1HG1 ILE 3 -6.141 -0.961 6.166
465 2HG1 ILE 3 2HG1 ILE 3 -6.106 0.499 5.182
466 1HG2 ILE 3 1HG2 ILE 3 -3.968 -2.053 6.847
467 2HG2 ILE 3 2HG2 ILE 3 -3.607 -2.232 5.130
468 3HG2 ILE 3 3HG2 ILE 3 -2.453 -1.428 6.194
469 1HD1 ILE 3 1HD1 ILE 3 -4.885 -1.657 3.752
470 2HD1 ILE 3 2HD1 ILE 3 -6.481 -2.138 4.330
471 3HD1 ILE 3 3HD1 ILE 3 -6.303 -0.693 3.334
472 H PHE 4 H PHE 4 -2.906 2.752 5.991
473 HA PHE 4 HA PHE 4 -5.183 4.522 6.366
474 1HB PHE 4 1HB PHE 4 -2.381 5.050 5.348
475 2HB PHE 4 2HB PHE 4 -3.613 6.287 5.549
476 HD1 PHE 4 HD1 PHE 4 -3.210 7.636 7.340
477 HD2 PHE 4 HD2 PHE 4 -2.327 3.485 7.669
478 HE1 PHE 4 HE1 PHE 4 -2.493 7.976 9.668
479 HE2 PHE 4 HE2 PHE 4 -1.613 3.819 9.999
480 HZ PHE 4 HZ PHE 4 -1.694 6.066 11.001
481 H VAL 5 H VAL 5 -6.556 5.102 4.787
482 HA VAL 5 HA VAL 5 -5.759 4.881 1.991
483 HB VAL 5 HB VAL 5 -8.132 3.378 3.111
484 1HG1 VAL 5 1HG1 VAL 5 -7.813 4.547 0.568
485 2HG1 VAL 5 2HG1 VAL 5 -7.599 2.809 0.362
486 3HG1 VAL 5 3HG1 VAL 5 -9.073 3.434 1.103
487 1HG2 VAL 5 1HG2 VAL 5 -5.414 2.593 2.286
488 2HG2 VAL 5 2HG2 VAL 5 -6.517 1.839 3.438
489 3HG2 VAL 5 3HG2 VAL 5 -6.724 1.561 1.709
490 H LYS 6 H LYS 6 -6.527 6.547 0.864
491 HA LYS 6 HA LYS 6 -8.409 8.360 2.104
492 1HB LYS 6 1HB LYS 6 -6.994 8.506 -0.564
493 2HB LYS 6 2HB LYS 6 -7.964 9.792 0.139
494 1HG LYS 6 1HG LYS 6 -6.402 9.941 2.016
495 2HG LYS 6 2HG LYS 6 -5.427 8.658 1.299
496 1HD LYS 6 1HD LYS 6 -5.033 10.056 -0.669
497 2HD LYS 6 2HD LYS 6 -6.014 11.338 0.042
498 1HE LYS 6 1HE LYS 6 -4.444 11.498 1.912
499 2HE LYS 6 2HE LYS 6 -3.462 10.221 1.196
500 1HZ LYS 6 1HZ LYS 6 -4.002 12.410 -0.593
501 2HZ LYS 6 2HZ LYS 6 -3.116 12.863 0.777
502 3HZ LYS 6 3HZ LYS 6 -2.539 11.639 -0.238
503 H THR 7 H THR 7 -10.532 8.415 1.728
504 HA THR 7 HA THR 7 -11.743 6.504 -0.017
505 HB THR 7 HB THR 7 -13.885 7.552 0.656
506 HG1 THR 7 HG1 THR 7 -12.371 9.642 1.151
507 1HG2 THR 7 1HG2 THR 7 -12.573 5.851 2.066
508 2HG2 THR 7 2HG2 THR 7 -12.183 7.219 3.109
509 3HG2 THR 7 3HG2 THR 7 -13.865 6.753 2.859
510 H LEU 8 H LEU 8 -13.963 8.083 -0.909
511 HA LEU 8 HA LEU 8 -12.895 8.997 -3.397
512 1HB LEU 8 1HB LEU 8 -15.685 9.135 -2.255
513 2HB LEU 8 2HB LEU 8 -15.264 9.550 -3.906
514 HG LEU 8 HG LEU 8 -14.751 6.818 -2.743
515 1HD1 LEU 8 1HD1 LEU 8 -14.256 8.125 -5.277
516 2HD1 LEU 8 2HD1 LEU 8 -13.644 6.592 -4.656
517 3HD1 LEU 8 3HD1 LEU 8 -15.212 6.654 -5.459
518 1HD2 LEU 8 1HD2 LEU 8 -17.252 8.018 -3.695
519 2HD2 LEU 8 2HD2 LEU 8 -16.845 6.453 -4.398
520 3HD2 LEU 8 3HD2 LEU 8 -16.980 6.624 -2.649
521 H THR 9 H THR 9 -14.573 10.603 -0.698
522 HA THR 9 HA THR 9 -14.255 13.214 -1.816
523 HB THR 9 HB THR 9 -15.064 14.037 0.361
524 HG1 THR 9 HG1 THR 9 -15.382 11.372 1.227
525 1HG2 THR 9 1HG2 THR 9 -16.580 13.053 -1.459
526 2HG2 THR 9 2HG2 THR 9 -16.729 11.652 -0.398
527 3HG2 THR 9 3HG2 THR 9 -17.263 13.238 0.156
528 H GLY 10 H GLY 10 -12.633 11.422 0.797
529 1HA GLY 10 1HA GLY 10 -10.777 13.603 1.249
530 2HA GLY 10 2HA GLY 10 -10.084 12.209 0.439
531 H LYS 11 H LYS 11 -12.608 11.967 2.849
532 HA LYS 11 HA LYS 11 -11.239 11.751 5.199
533 1HB LYS 11 1HB LYS 11 -13.675 11.613 5.047
534 2HB LYS 11 2HB LYS 11 -13.553 10.029 4.299
535 1HG LYS 11 1HG LYS 11 -12.440 9.215 6.380
536 2HG LYS 11 2HG LYS 11 -12.806 10.779 7.114
537 1HD LYS 11 1HD LYS 11 -15.204 10.388 6.676
538 2HD LYS 11 2HD LYS 11 -14.802 8.794 6.030
539 1HE LYS 11 1HE LYS 11 -15.558 8.638 8.343
540 2HE LYS 11 2HE LYS 11 -13.873 8.143 8.188
541 1HZ LYS 11 1HZ LYS 11 -14.444 10.936 8.862
542 2HZ LYS 11 2HZ LYS 11 -14.635 9.770 10.071
543 3HZ LYS 11 3HZ LYS 11 -13.135 9.965 9.313
544 H THR 12 H THR 12 -9.812 10.423 6.090
545 HA THR 12 HA THR 12 -8.794 8.181 4.573
546 HB THR 12 HB THR 12 -7.966 9.153 7.310
547 HG1 THR 12 HG1 THR 12 -6.147 9.803 5.555
548 1HG2 THR 12 1HG2 THR 12 -7.336 6.794 6.569
549 2HG2 THR 12 2HG2 THR 12 -6.325 7.568 5.351
550 3HG2 THR 12 3HG2 THR 12 -6.015 7.852 7.064
551 H ILE 13 H ILE 13 -8.874 6.019 5.185
552 HA ILE 13 HA ILE 13 -10.738 5.408 7.383
553 HB ILE 13 HB ILE 13 -11.296 3.320 6.137
554 1HG1 ILE 13 1HG1 ILE 13 -9.888 4.712 3.849
555 2HG1 ILE 13 2HG1 ILE 13 -9.268 3.302 4.705
556 1HG2 ILE 13 1HG2 ILE 13 -12.038 6.055 5.429
557 2HG2 ILE 13 2HG2 ILE 13 -12.409 4.855 4.186
558 3HG2 ILE 13 3HG2 ILE 13 -13.049 4.661 5.819
559 1HD1 ILE 13 1HD1 ILE 13 -11.975 3.014 3.611
560 2HD1 ILE 13 2HD1 ILE 13 -10.683 3.192 2.423
561 3HD1 ILE 13 3HD1 ILE 13 -10.617 1.890 3.610
562 H THR 14 H THR 14 -10.049 4.135 8.946
563 HA THR 14 HA THR 14 -7.457 2.799 8.623
564 HB THR 14 HB THR 14 -7.859 2.477 11.219
565 HG1 THR 14 HG1 THR 14 -8.932 4.942 11.365
566 1HG2 THR 14 1HG2 THR 14 -6.336 4.171 9.653
567 2HG2 THR 14 2HG2 THR 14 -7.132 5.258 10.795
568 3HG2 THR 14 3HG2 THR 14 -6.160 3.913 11.389
569 H LEU 15 H LEU 15 -7.350 0.648 8.495
570 HA LEU 15 HA LEU 15 -9.398 -1.000 9.699
571 1HB LEU 15 1HB LEU 15 -10.186 -2.037 7.730
572 2HB LEU 15 2HB LEU 15 -10.245 -0.313 7.417
573 HG LEU 15 HG LEU 15 -7.847 -0.827 6.358
574 1HD1 LEU 15 1HD1 LEU 15 -8.561 -3.358 6.996
575 2HD1 LEU 15 2HD1 LEU 15 -9.160 -3.239 5.342
576 3HD1 LEU 15 3HD1 LEU 15 -7.459 -2.925 5.686
577 1HD2 LEU 15 1HD2 LEU 15 -10.596 -0.855 5.271
578 2HD2 LEU 15 2HD2 LEU 15 -9.245 0.224 4.923
579 3HD2 LEU 15 3HD2 LEU 15 -9.294 -1.386 4.208
580 H GLU 16 H GLU 16 -8.378 -2.583 10.666
581 HA GLU 16 HA GLU 16 -5.642 -3.160 10.175
582 1HB GLU 16 1HB GLU 16 -5.953 -4.888 11.932
583 2HB GLU 16 2HB GLU 16 -6.500 -3.288 12.415
584 1HG GLU 16 1HG GLU 16 -8.809 -3.935 11.953
585 2HG GLU 16 2HG GLU 16 -8.260 -5.541 11.474
586 H VAL 17 H VAL 17 -4.675 -4.828 9.191
587 HA VAL 17 HA VAL 17 -6.093 -7.175 8.321
588 HB VAL 17 HB VAL 17 -5.255 -6.835 5.906
589 1HG1 VAL 17 1HG1 VAL 17 -7.668 -6.723 6.922
590 2HG1 VAL 17 2HG1 VAL 17 -7.534 -5.020 6.488
591 3HG1 VAL 17 3HG1 VAL 17 -7.365 -6.261 5.249
592 1HG2 VAL 17 1HG2 VAL 17 -5.343 -3.979 6.852
593 2HG2 VAL 17 2HG2 VAL 17 -3.942 -4.852 6.232
594 3HG2 VAL 17 3HG2 VAL 17 -5.291 -4.476 5.161
595 H GLU 18 H GLU 18 -4.743 -8.875 8.069
596 HA GLU 18 HA GLU 18 -2.197 -8.829 9.147
597 1HB GLU 18 1HB GLU 18 -3.301 -10.793 7.132
598 2HB GLU 18 2HB GLU 18 -1.919 -11.070 8.183
599 1HG GLU 18 1HG GLU 18 -3.355 -10.906 10.139
600 2HG GLU 18 2HG GLU 18 -4.745 -10.586 9.101
601 HA PRO 19 HA PRO 19 0.387 -7.051 6.016
602 1HB PRO 19 1HB PRO 19 2.738 -8.265 6.701
603 2HB PRO 19 2HB PRO 19 2.055 -6.901 7.581
604 1HG PRO 19 1HG PRO 19 1.886 -9.821 8.196
605 2HG PRO 19 2HG PRO 19 2.248 -8.468 9.280
606 1HD PRO 19 1HD PRO 19 -0.191 -9.551 9.198
607 2HD PRO 19 2HD PRO 19 0.018 -7.802 9.389
608 H SER 20 H SER 20 0.693 -10.526 6.652
609 HA SER 20 HA SER 20 1.851 -11.219 4.177
610 1HB SER 20 1HB SER 20 0.184 -12.894 6.071
611 2HB SER 20 2HB SER 20 1.156 -13.530 4.746
612 HG SER 20 HG SER 20 1.989 -13.225 7.128
613 H ASP 21 H ASP 21 -1.355 -10.421 5.103
614 HA ASP 21 HA ASP 21 -2.893 -11.805 3.246
615 1HB ASP 21 1HB ASP 21 -3.844 -10.450 5.074
616 2HB ASP 21 2HB ASP 21 -3.311 -8.982 4.259
617 H THR 22 H THR 22 -3.215 -11.654 1.108
618 HA THR 22 HA THR 22 -1.419 -10.331 -0.555
619 HB THR 22 HB THR 22 -2.959 -10.871 -2.412
620 HG1 THR 22 HG1 THR 22 -4.723 -11.149 -0.288
621 1HG2 THR 22 1HG2 THR 22 -1.405 -12.552 -1.283
622 2HG2 THR 22 2HG2 THR 22 -2.853 -13.202 -0.517
623 3HG2 THR 22 3HG2 THR 22 -2.709 -13.206 -2.274
624 H ILE 23 H ILE 23 -1.473 -8.489 -1.757
625 HA ILE 23 HA ILE 23 -2.689 -6.214 -0.730
626 HB ILE 23 HB ILE 23 -1.762 -6.643 -3.575
627 1HG1 ILE 23 1HG1 ILE 23 -0.272 -5.555 -1.173
628 2HG1 ILE 23 2HG1 ILE 23 -0.023 -7.143 -1.892
629 1HG2 ILE 23 1HG2 ILE 23 -3.095 -4.461 -2.405
630 2HG2 ILE 23 2HG2 ILE 23 -1.409 -3.979 -2.591
631 3HG2 ILE 23 3HG2 ILE 23 -2.325 -4.537 -3.990
632 1HD1 ILE 23 1HD1 ILE 23 0.298 -4.681 -3.550
633 2HD1 ILE 23 2HD1 ILE 23 1.590 -5.213 -2.472
634 3HD1 ILE 23 3HD1 ILE 23 1.021 -6.278 -3.757
635 H GLU 24 H GLU 24 -3.793 -8.431 -3.224
636 HA GLU 24 HA GLU 24 -5.924 -6.884 -4.211
637 1HB GLU 24 1HB GLU 24 -6.810 -9.030 -5.071
638 2HB GLU 24 2HB GLU 24 -5.109 -8.795 -5.444
639 1HG GLU 24 1HG GLU 24 -4.491 -10.281 -3.619
640 2HG GLU 24 2HG GLU 24 -6.190 -10.498 -3.209
641 H ASN 25 H ASN 25 -5.710 -9.112 -1.482
642 HA ASN 25 HA ASN 25 -8.518 -9.138 -0.967
643 1HB ASN 25 1HB ASN 25 -6.163 -9.943 0.740
644 2HB ASN 25 2HB ASN 25 -7.842 -10.173 1.213
645 1HD2 ASN 25 2HD2 ASN 25 -7.804 -10.511 -2.041
646 2HD2 ASN 25 1HD2 ASN 25 -7.598 -12.220 -2.155
647 H VAL 26 H VAL 26 -5.775 -7.489 0.626
648 HA VAL 26 HA VAL 26 -7.203 -6.195 2.614
649 HB VAL 26 HB VAL 26 -5.425 -4.458 2.580
650 1HG1 VAL 26 1HG1 VAL 26 -5.256 -7.129 3.278
651 2HG1 VAL 26 2HG1 VAL 26 -3.757 -6.814 2.404
652 3HG1 VAL 26 3HG1 VAL 26 -4.184 -5.833 3.808
653 1HG2 VAL 26 1HG2 VAL 26 -4.406 -6.011 0.211
654 2HG2 VAL 26 2HG2 VAL 26 -5.003 -4.352 0.198
655 3HG2 VAL 26 3HG2 VAL 26 -3.518 -4.747 1.063
656 H LYS 27 H LYS 27 -6.638 -5.194 -0.732
657 HA LYS 27 HA LYS 27 -7.974 -2.691 -0.481
658 1HB LYS 27 1HB LYS 27 -7.373 -4.335 -2.947
659 2HB LYS 27 2HB LYS 27 -7.907 -2.660 -2.947
660 1HG LYS 27 1HG LYS 27 -5.871 -2.006 -1.769
661 2HG LYS 27 2HG LYS 27 -5.335 -3.688 -1.765
662 1HD LYS 27 1HD LYS 27 -5.851 -2.009 -4.218
663 2HD LYS 27 2HD LYS 27 -4.266 -2.401 -3.555
664 1HE LYS 27 1HE LYS 27 -4.699 -4.781 -3.934
665 2HE LYS 27 2HE LYS 27 -6.280 -4.385 -4.602
666 1HZ LYS 27 1HZ LYS 27 -3.959 -3.080 -5.796
667 2HZ LYS 27 2HZ LYS 27 -4.168 -4.728 -6.119
668 3HZ LYS 27 3HZ LYS 27 -5.385 -3.625 -6.523
669 H ALA 28 H ALA 28 -8.932 -5.929 -1.478
670 HA ALA 28 HA ALA 28 -11.468 -5.366 -2.499
671 1HB ALA 28 1HB ALA 28 -11.624 -7.581 -2.730
672 2HB ALA 28 2HB ALA 28 -11.342 -7.870 -1.013
673 3HB ALA 28 3HB ALA 28 -9.976 -7.636 -2.104
674 H LYS 29 H LYS 29 -10.330 -5.538 0.785
675 HA LYS 29 HA LYS 29 -12.923 -5.735 1.984
676 1HB LYS 29 1HB LYS 29 -10.937 -6.519 3.179
677 2HB LYS 29 2HB LYS 29 -10.249 -4.902 3.139
678 1HG LYS 29 1HG LYS 29 -12.006 -4.079 4.581
679 2HG LYS 29 2HG LYS 29 -12.790 -5.662 4.566
680 1HD LYS 29 1HD LYS 29 -10.808 -6.641 5.631
681 2HD LYS 29 2HD LYS 29 -10.044 -5.052 5.658
682 1HE LYS 29 1HE LYS 29 -11.837 -4.212 7.090
683 2HE LYS 29 2HE LYS 29 -12.610 -5.796 7.057
684 1HZ LYS 29 1HZ LYS 29 -9.834 -5.760 7.908
685 2HZ LYS 29 2HZ LYS 29 -10.931 -5.023 8.963
686 3HZ LYS 29 3HZ LYS 29 -11.143 -6.641 8.517
687 H ILE 30 H ILE 30 -10.765 -3.181 0.985
688 HA ILE 30 HA ILE 30 -11.962 -1.047 2.350
689 HB ILE 30 HB ILE 30 -10.592 -0.913 -0.336
690 1HG1 ILE 30 1HG1 ILE 30 -9.426 -0.676 2.451
691 2HG1 ILE 30 2HG1 ILE 30 -9.202 -2.047 1.372
692 1HG2 ILE 30 1HG2 ILE 30 -11.208 1.140 1.781
693 2HG2 ILE 30 2HG2 ILE 30 -10.034 1.405 0.491
694 3HG2 ILE 30 3HG2 ILE 30 -11.729 1.126 0.097
695 1HD1 ILE 30 1HD1 ILE 30 -8.396 0.689 0.498
696 2HD1 ILE 30 2HD1 ILE 30 -7.355 -0.256 1.562
697 3HD1 ILE 30 3HD1 ILE 30 -7.791 -0.882 -0.027
698 H GLN 31 H GLN 31 -12.701 -2.488 -0.828
699 HA GLN 31 HA GLN 31 -14.633 -0.553 -1.562
700 1HB GLN 31 1HB GLN 31 -15.343 -2.071 -3.262
701 2HB GLN 31 2HB GLN 31 -13.603 -2.258 -3.122
702 1HG GLN 31 1HG GLN 31 -13.924 -4.268 -1.789
703 2HG GLN 31 2HG GLN 31 -15.668 -4.077 -1.917
704 1HE2 GLN 31 2HE2 GLN 31 -14.565 -3.038 -4.782
705 2HE2 GLN 31 1HE2 GLN 31 -14.620 -4.510 -5.679
706 H ASP 32 H ASP 32 -14.768 -3.621 0.170
707 HA ASP 32 HA ASP 32 -17.538 -3.746 0.554
708 1HB ASP 32 1HB ASP 32 -15.992 -5.617 1.078
709 2HB ASP 32 2HB ASP 32 -15.349 -4.687 2.427
710 H LYS 33 H LYS 33 -14.963 -2.025 2.096
711 HA LYS 33 HA LYS 33 -16.439 -1.010 4.309
712 1HB LYS 33 1HB LYS 33 -13.800 -0.291 3.045
713 2HB LYS 33 2HB LYS 33 -14.451 0.608 4.411
714 1HG LYS 33 1HG LYS 33 -13.859 -2.344 4.392
715 2HG LYS 33 2HG LYS 33 -12.818 -1.098 5.078
716 1HD LYS 33 1HD LYS 33 -15.640 -1.700 5.959
717 2HD LYS 33 2HD LYS 33 -14.175 -2.219 6.794
718 1HE LYS 33 1HE LYS 33 -13.542 0.119 7.139
719 2HE LYS 33 2HE LYS 33 -15.006 0.638 6.303
720 1HZ LYS 33 1HZ LYS 33 -16.190 -0.765 8.085
721 2HZ LYS 33 2HZ LYS 33 -14.740 -0.634 8.947
722 3HZ LYS 33 3HZ LYS 33 -15.596 0.759 8.515
723 H GLU 34 H GLU 34 -15.807 0.065 1.030
724 HA GLU 34 HA GLU 34 -17.724 2.250 1.438
725 1HB GLU 34 1HB GLU 34 -15.075 2.521 0.008
726 2HB GLU 34 2HB GLU 34 -16.332 3.745 0.040
727 1HG GLU 34 1HG GLU 34 -14.869 2.695 2.451
728 2HG GLU 34 2HG GLU 34 -14.518 4.209 1.618
729 H GLY 35 H GLY 35 -15.711 0.949 -1.234
730 1HA GLY 35 1HA GLY 35 -17.929 1.211 -3.063
731 2HA GLY 35 2HA GLY 35 -17.566 -0.450 -2.636
732 H ILE 36 H ILE 36 -15.174 2.100 -3.003
733 HA ILE 36 HA ILE 36 -14.470 1.865 -5.630
734 HB ILE 36 HB ILE 36 -11.999 2.050 -4.379
735 1HG1 ILE 36 1HG1 ILE 36 -12.419 3.759 -2.602
736 2HG1 ILE 36 2HG1 ILE 36 -14.134 3.378 -2.697
737 1HG2 ILE 36 1HG2 ILE 36 -13.960 3.896 -5.592
738 2HG2 ILE 36 2HG2 ILE 36 -12.617 4.608 -4.696
739 3HG2 ILE 36 3HG2 ILE 36 -12.297 3.525 -6.054
740 1HD1 ILE 36 1HD1 ILE 36 -12.309 1.106 -2.245
741 2HD1 ILE 36 2HD1 ILE 36 -12.485 2.264 -0.926
742 3HD1 ILE 36 3HD1 ILE 36 -13.904 1.439 -1.570
743 HA PRO 37 HA PRO 37 -13.269 -2.382 -6.260
744 1HB PRO 37 1HB PRO 37 -11.756 -0.996 -8.434
745 2HB PRO 37 2HB PRO 37 -12.766 -2.444 -8.520
746 1HG PRO 37 1HG PRO 37 -13.695 -0.131 -9.408
747 2HG PRO 37 2HG PRO 37 -14.747 -1.208 -8.468
748 1HD PRO 37 1HD PRO 37 -13.360 1.298 -7.624
749 2HD PRO 37 2HD PRO 37 -14.961 0.689 -7.168
750 HA PRO 38 HA PRO 38 -9.348 -2.578 -4.200
751 1HB PRO 38 1HB PRO 38 -8.432 -4.937 -5.323
752 2HB PRO 38 2HB PRO 38 -9.516 -4.830 -3.934
753 1HG PRO 38 1HG PRO 38 -10.161 -5.313 -6.810
754 2HG PRO 38 2HG PRO 38 -10.865 -6.055 -5.363
755 1HD PRO 38 1HD PRO 38 -12.153 -4.130 -6.709
756 2HD PRO 38 2HD PRO 38 -12.228 -4.224 -4.937
757 H ASP 39 H ASP 39 -9.411 -3.218 -7.692
758 HA ASP 39 HA ASP 39 -6.664 -2.837 -8.149
759 1HB ASP 39 1HB ASP 39 -7.294 -2.551 -10.519
760 2HB ASP 39 2HB ASP 39 -8.081 -3.945 -9.787
761 H GLN 40 H GLN 40 -9.368 -0.564 -8.067
762 HA GLN 40 HA GLN 40 -8.035 1.631 -9.173
763 1HB GLN 40 1HB GLN 40 -10.310 1.514 -7.198
764 2HB GLN 40 2HB GLN 40 -9.749 3.001 -7.946
765 1HG GLN 40 1HG GLN 40 -10.239 2.025 -10.162
766 2HG GLN 40 2HG GLN 40 -10.899 0.605 -9.355
767 1HE2 GLN 40 2HE2 GLN 40 -11.652 3.052 -7.357
768 2HE2 GLN 40 1HE2 GLN 40 -13.207 3.478 -7.971
769 H GLN 41 H GLN 41 -8.087 0.378 -5.892
770 HA GLN 41 HA GLN 41 -7.034 2.538 -4.510
771 1HB GLN 41 1HB GLN 41 -6.343 -0.357 -4.004
772 2HB GLN 41 2HB GLN 41 -6.315 0.957 -2.838
773 1HG GLN 41 1HG GLN 41 -8.744 -0.207 -4.176
774 2HG GLN 41 2HG GLN 41 -8.265 -0.409 -2.492
775 1HE2 GLN 41 2HE2 GLN 41 -9.462 0.740 -1.183
776 2HE2 GLN 41 1HE2 GLN 41 -10.106 2.313 -1.492
777 H ARG 42 H ARG 42 -5.165 3.588 -4.611
778 HA ARG 42 HA ARG 42 -3.061 2.589 -6.294
779 1HB ARG 42 1HB ARG 42 -3.344 5.187 -4.793
780 2HB ARG 42 2HB ARG 42 -2.005 4.801 -5.865
781 1HG ARG 42 1HG ARG 42 -3.562 4.605 -7.739
782 2HG ARG 42 2HG ARG 42 -4.901 5.004 -6.661
783 1HD ARG 42 1HD ARG 42 -2.535 6.778 -7.247
784 2HD ARG 42 2HD ARG 42 -4.142 6.950 -7.954
785 HE ARG 42 HE ARG 42 -4.390 6.975 -5.167
786 1HH1 ARG 42 1HH1 ARG 42 -3.072 8.930 -7.732
787 2HH1 ARG 42 2HH1 ARG 42 -3.287 10.423 -6.880
788 1HH2 ARG 42 1HH2 ARG 42 -4.678 8.935 -4.037
789 2HH2 ARG 42 2HH2 ARG 42 -4.200 10.425 -4.780
790 H LEU 43 H LEU 43 -1.332 1.501 -5.610
791 HA LEU 43 HA LEU 43 -0.888 1.019 -2.835
792 1HB LEU 43 1HB LEU 43 0.644 0.332 -5.329
793 2HB LEU 43 2HB LEU 43 1.291 -0.020 -3.739
794 HG LEU 43 HG LEU 43 -0.653 -1.442 -3.261
795 1HD1 LEU 43 1HD1 LEU 43 -2.225 -0.208 -4.765
796 2HD1 LEU 43 2HD1 LEU 43 -1.453 -1.016 -6.131
797 3HD1 LEU 43 3HD1 LEU 43 -2.295 -1.966 -4.907
798 1HD2 LEU 43 1HD2 LEU 43 1.411 -2.350 -4.303
799 2HD2 LEU 43 2HD2 LEU 43 -0.044 -3.283 -4.653
800 3HD2 LEU 43 3HD2 LEU 43 0.626 -2.201 -5.875
801 H ILE 44 H ILE 44 0.188 2.237 -1.439
802 HA ILE 44 HA ILE 44 2.400 3.898 -2.373
803 HB ILE 44 HB ILE 44 0.129 5.006 -0.724
804 1HG1 ILE 44 1HG1 ILE 44 0.998 5.631 -3.558
805 2HG1 ILE 44 2HG1 ILE 44 -0.448 4.733 -3.105
806 1HG2 ILE 44 1HG2 ILE 44 2.728 6.205 -1.658
807 2HG2 ILE 44 2HG2 ILE 44 1.373 7.165 -1.064
808 3HG2 ILE 44 3HG2 ILE 44 2.163 6.003 0.001
809 1HD1 ILE 44 1HD1 ILE 44 -0.406 7.260 -1.766
810 2HD1 ILE 44 2HD1 ILE 44 -0.197 7.478 -3.504
811 3HD1 ILE 44 3HD1 ILE 44 -1.597 6.600 -2.887
812 H PHE 45 H PHE 45 4.067 3.929 -0.997
813 HA PHE 45 HA PHE 45 3.629 3.179 1.803
814 1HB PHE 45 1HB PHE 45 5.695 1.940 -0.029
815 2HB PHE 45 2HB PHE 45 5.633 1.704 1.715
816 HD1 PHE 45 HD1 PHE 45 3.637 1.228 -1.385
817 HD2 PHE 45 HD2 PHE 45 4.371 -0.018 2.617
818 HE1 PHE 45 HE1 PHE 45 2.103 -0.668 -1.699
819 HE2 PHE 45 HE2 PHE 45 2.839 -1.919 2.309
820 HZ PHE 45 HZ PHE 45 1.703 -2.246 0.149
821 H ALA 46 H ALA 46 5.167 4.008 3.279
822 HA ALA 46 HA ALA 46 7.330 5.652 2.238
823 1HB ALA 46 1HB ALA 46 6.530 7.642 3.568
824 2HB ALA 46 2HB ALA 46 4.971 6.827 3.685
825 3HB ALA 46 3HB ALA 46 5.618 7.273 2.106
826 H GLY 47 H GLY 47 9.024 5.752 3.582
827 1HA GLY 47 1HA GLY 47 10.358 5.310 5.393
828 2HA GLY 47 2HA GLY 47 9.174 4.094 5.843
829 H LYS 48 H LYS 48 9.104 4.444 8.003
830 HA LYS 48 HA LYS 48 7.528 6.618 8.954
831 1HB LYS 48 1HB LYS 48 9.117 4.541 10.468
832 2HB LYS 48 2HB LYS 48 7.962 5.648 11.193
833 1HG LYS 48 1HG LYS 48 7.309 3.568 9.115
834 2HG LYS 48 2HG LYS 48 7.029 3.411 10.849
835 1HD LYS 48 1HD LYS 48 5.807 5.512 9.061
836 2HD LYS 48 2HD LYS 48 4.990 4.060 9.641
837 1HE LYS 48 1HE LYS 48 6.084 6.284 11.360
838 2HE LYS 48 2HE LYS 48 4.384 6.012 10.977
839 1HZ LYS 48 1HZ LYS 48 4.986 3.652 11.978
840 2HZ LYS 48 2HZ LYS 48 6.125 4.576 12.823
841 3HZ LYS 48 3HZ LYS 48 4.478 4.939 12.949
842 H GLN 49 H GLN 49 8.933 8.361 8.114
843 HA GLN 49 HA GLN 49 11.470 8.861 9.264
844 1HB GLN 49 1HB GLN 49 9.432 10.665 7.957
845 2HB GLN 49 2HB GLN 49 10.950 11.280 8.591
846 1HG GLN 49 1HG GLN 49 10.733 9.134 6.502
847 2HG GLN 49 2HG GLN 49 10.967 10.845 6.158
848 1HE2 GLN 49 2HE2 GLN 49 12.592 10.487 8.915
849 2HE2 GLN 49 1HE2 GLN 49 14.154 10.066 8.315
850 H LEU 50 H LEU 50 11.842 9.200 11.332
851 HA LEU 50 HA LEU 50 9.907 9.607 13.283
852 1HB LEU 50 1HB LEU 50 12.864 10.194 13.320
853 2HB LEU 50 2HB LEU 50 11.845 10.311 14.739
854 HG LEU 50 HG LEU 50 13.073 8.206 14.722
855 1HD1 LEU 50 1HD1 LEU 50 11.719 7.779 12.074
856 2HD1 LEU 50 2HD1 LEU 50 13.447 7.795 12.422
857 3HD1 LEU 50 3HD1 LEU 50 12.440 6.477 13.018
858 1HD2 LEU 50 1HD2 LEU 50 10.861 8.247 15.738
859 2HD2 LEU 50 2HD2 LEU 50 10.138 7.803 14.192
860 3HD2 LEU 50 3HD2 LEU 50 11.212 6.676 15.021
861 H GLU 51 H GLU 51 8.598 11.291 12.357
862 HA GLU 51 HA GLU 51 9.036 13.808 13.547
863 1HB GLU 51 1HB GLU 51 9.296 15.186 11.510
864 2HB GLU 51 2HB GLU 51 10.681 14.145 11.799
865 1HG GLU 51 1HG GLU 51 9.866 12.579 10.116
866 2HG GLU 51 2HG GLU 51 8.464 13.611 9.834
No H/Q in entry = 866
Start of MODEL 5
1 H1 GLY -1 H1 GLY -1 4.855 -8.649 -14.916
2 H2 GLY -1 H2 GLY -1 4.511 -9.226 -16.468
3 H3 GLY -1 H3 GLY -1 5.746 -8.091 -16.241
4 1HA GLY -1 1HA GLY -1 3.232 -7.493 -16.995
5 2HA GLY -1 2HA GLY -1 4.361 -6.363 -16.267
6 H SER 0 H SER 0 4.439 -7.218 -13.668
7 HA SER 0 HA SER 0 1.903 -7.701 -12.522
8 1HB SER 0 1HB SER 0 3.002 -7.050 -10.386
9 2HB SER 0 2HB SER 0 3.934 -8.231 -11.306
10 HG SER 0 HG SER 0 5.470 -6.817 -10.978
11 H MET 1 H MET 1 3.016 -5.143 -10.730
12 HA MET 1 HA MET 1 1.718 -3.032 -12.219
13 1HB MET 1 1HB MET 1 0.118 -2.544 -10.339
14 2HB MET 1 2HB MET 1 -0.246 -3.990 -11.270
15 1HG MET 1 1HG MET 1 0.576 -5.406 -9.552
16 2HG MET 1 2HG MET 1 1.257 -4.042 -8.668
17 1HE MET 1 1HE MET 1 -0.052 -2.067 -8.191
18 2HE MET 1 2HE MET 1 -1.811 -1.938 -8.160
19 3HE MET 1 3HE MET 1 -0.942 -2.485 -6.726
20 H GLN 2 H GLN 2 2.911 -1.290 -11.928
21 HA GLN 2 HA GLN 2 4.920 -1.047 -9.982
22 1HB GLN 2 1HB GLN 2 5.129 1.273 -10.784
23 2HB GLN 2 2HB GLN 2 5.051 0.122 -12.109
24 1HG GLN 2 1HG GLN 2 2.699 0.668 -12.452
25 2HG GLN 2 2HG GLN 2 2.771 1.818 -11.118
26 1HE2 GLN 2 2HE2 GLN 2 2.923 3.832 -11.755
27 2HE2 GLN 2 1HE2 GLN 2 3.735 4.401 -13.167
28 H ILE 3 H ILE 3 5.011 -0.015 -8.056
29 HA ILE 3 HA ILE 3 2.479 1.027 -6.974
30 HB ILE 3 HB ILE 3 3.265 0.388 -4.752
31 1HG1 ILE 3 1HG1 ILE 3 5.650 -0.781 -6.199
32 2HG1 ILE 3 2HG1 ILE 3 5.677 0.622 -5.138
33 1HG2 ILE 3 1HG2 ILE 3 3.352 -1.850 -6.766
34 2HG2 ILE 3 2HG2 ILE 3 3.180 -2.070 -5.025
35 3HG2 ILE 3 3HG2 ILE 3 1.929 -1.222 -5.936
36 1HD1 ILE 3 1HD1 ILE 3 4.520 -1.663 -3.818
37 2HD1 ILE 3 2HD1 ILE 3 6.137 -2.012 -4.429
38 3HD1 ILE 3 3HD1 ILE 3 5.881 -0.649 -3.339
39 H PHE 4 H PHE 4 2.603 2.824 -5.531
40 HA PHE 4 HA PHE 4 4.748 4.654 -6.229
41 1HB PHE 4 1HB PHE 4 2.243 5.070 -4.579
42 2HB PHE 4 2HB PHE 4 3.389 6.335 -4.999
43 HD1 PHE 4 HD1 PHE 4 2.655 7.747 -6.630
44 HD2 PHE 4 HD2 PHE 4 1.571 3.636 -6.847
45 HE1 PHE 4 HE1 PHE 4 1.414 8.187 -8.707
46 HE2 PHE 4 HE2 PHE 4 0.330 4.071 -8.926
47 HZ PHE 4 HZ PHE 4 0.251 6.348 -9.859
48 H VAL 5 H VAL 5 6.395 5.181 -4.921
49 HA VAL 5 HA VAL 5 6.228 4.538 -2.072
50 HB VAL 5 HB VAL 5 8.518 3.623 -3.819
51 1HG1 VAL 5 1HG1 VAL 5 9.230 4.273 -1.578
52 2HG1 VAL 5 2HG1 VAL 5 8.010 3.212 -0.875
53 3HG1 VAL 5 3HG1 VAL 5 9.346 2.526 -1.798
54 1HG2 VAL 5 1HG2 VAL 5 6.055 2.295 -2.911
55 2HG2 VAL 5 2HG2 VAL 5 7.086 1.954 -4.300
56 3HG2 VAL 5 3HG2 VAL 5 7.541 1.370 -2.699
57 H LYS 6 H LYS 6 7.823 5.594 -0.782
58 HA LYS 6 HA LYS 6 9.332 7.741 -2.061
59 1HB LYS 6 1HB LYS 6 7.387 8.155 0.217
60 2HB LYS 6 2HB LYS 6 8.502 9.370 -0.390
61 1HG LYS 6 1HG LYS 6 7.379 9.472 -2.483
62 2HG LYS 6 2HG LYS 6 6.393 8.065 -2.088
63 1HD LYS 6 1HD LYS 6 5.344 9.336 -0.263
64 2HD LYS 6 2HD LYS 6 6.301 10.748 -0.715
65 1HE LYS 6 1HE LYS 6 5.219 10.903 -2.830
66 2HE LYS 6 2HE LYS 6 4.433 9.341 -2.608
67 1HZ LYS 6 1HZ LYS 6 3.859 11.268 -0.542
68 2HZ LYS 6 2HZ LYS 6 3.295 11.710 -2.074
69 3HZ LYS 6 3HZ LYS 6 2.815 10.242 -1.388
70 H THR 7 H THR 7 11.344 7.711 -1.328
71 HA THR 7 HA THR 7 12.144 6.050 0.829
72 HB THR 7 HB THR 7 14.390 6.888 0.449
73 HG1 THR 7 HG1 THR 7 13.709 9.123 0.106
74 1HG2 THR 7 1HG2 THR 7 12.666 6.105 -1.826
75 2HG2 THR 7 2HG2 THR 7 14.263 6.736 -2.229
76 3HG2 THR 7 3HG2 THR 7 14.111 5.327 -1.178
77 H LEU 8 H LEU 8 14.177 7.740 1.973
78 HA LEU 8 HA LEU 8 12.686 8.824 4.128
79 1HB LEU 8 1HB LEU 8 15.603 9.226 3.465
80 2HB LEU 8 2HB LEU 8 14.845 9.565 5.006
81 HG LEU 8 HG LEU 8 14.238 7.040 5.016
82 1HD1 LEU 8 1HD1 LEU 8 16.929 8.253 5.471
83 2HD1 LEU 8 2HD1 LEU 8 15.731 7.713 6.646
84 3HD1 LEU 8 3HD1 LEU 8 16.670 6.530 5.738
85 1HD2 LEU 8 1HD2 LEU 8 16.095 7.260 2.719
86 2HD2 LEU 8 2HD2 LEU 8 16.298 5.889 3.809
87 3HD2 LEU 8 3HD2 LEU 8 14.756 6.147 2.993
88 H THR 9 H THR 9 14.541 10.310 1.482
89 HA THR 9 HA THR 9 13.754 12.974 2.294
90 HB THR 9 HB THR 9 15.971 12.638 1.315
91 HG1 THR 9 HG1 THR 9 14.372 14.546 0.768
92 1HG2 THR 9 1HG2 THR 9 14.720 10.922 -0.429
93 2HG2 THR 9 2HG2 THR 9 15.053 12.328 -1.442
94 3HG2 THR 9 3HG2 THR 9 16.372 11.522 -0.590
95 H GLY 10 H GLY 10 11.695 10.986 1.498
96 1HA GLY 10 1HA GLY 10 9.934 12.672 0.145
97 2HA GLY 10 2HA GLY 10 9.722 10.938 0.334
98 H LYS 11 H LYS 11 12.074 10.161 -1.101
99 HA LYS 11 HA LYS 11 11.977 11.305 -3.724
100 1HB LYS 11 1HB LYS 11 14.047 10.332 -2.889
101 2HB LYS 11 2HB LYS 11 13.268 8.765 -2.713
102 1HG LYS 11 1HG LYS 11 12.874 8.801 -5.197
103 2HG LYS 11 2HG LYS 11 13.922 10.221 -5.260
104 1HD LYS 11 1HD LYS 11 14.693 7.499 -4.211
105 2HD LYS 11 2HD LYS 11 15.159 8.175 -5.773
106 1HE LYS 11 1HE LYS 11 15.888 9.297 -3.070
107 2HE LYS 11 2HE LYS 11 16.960 8.388 -4.135
108 1HZ LYS 11 1HZ LYS 11 15.795 10.575 -5.512
109 2HZ LYS 11 2HZ LYS 11 16.569 11.114 -4.109
110 3HZ LYS 11 3HZ LYS 11 17.429 10.222 -5.260
111 H THR 12 H THR 12 10.688 10.761 -5.384
112 HA THR 12 HA THR 12 8.613 8.826 -5.024
113 HB THR 12 HB THR 12 9.430 10.299 -7.538
114 HG1 THR 12 HG1 THR 12 7.929 11.001 -5.304
115 1HG2 THR 12 1HG2 THR 12 7.874 8.136 -7.516
116 2HG2 THR 12 2HG2 THR 12 6.661 9.335 -7.068
117 3HG2 THR 12 3HG2 THR 12 7.558 9.508 -8.577
118 H ILE 13 H ILE 13 8.490 6.758 -5.735
119 HA ILE 13 HA ILE 13 10.392 5.773 -7.697
120 HB ILE 13 HB ILE 13 11.799 5.288 -5.958
121 1HG1 ILE 13 1HG1 ILE 13 9.940 2.929 -6.231
122 2HG1 ILE 13 2HG1 ILE 13 11.474 3.201 -7.050
123 1HG2 ILE 13 1HG2 ILE 13 9.609 5.797 -4.353
124 2HG2 ILE 13 2HG2 ILE 13 10.051 4.133 -3.961
125 3HG2 ILE 13 3HG2 ILE 13 11.246 5.425 -3.811
126 1HD1 ILE 13 1HD1 ILE 13 12.619 2.979 -4.868
127 2HD1 ILE 13 2HD1 ILE 13 11.064 2.576 -4.138
128 3HD1 ILE 13 3HD1 ILE 13 11.761 1.523 -5.369
129 H THR 14 H THR 14 9.602 4.219 -8.918
130 HA THR 14 HA THR 14 6.956 3.137 -8.279
131 HB THR 14 HB THR 14 7.181 2.269 -10.726
132 HG1 THR 14 HG1 THR 14 9.077 4.397 -10.735
133 1HG2 THR 14 1HG2 THR 14 6.001 4.467 -9.596
134 2HG2 THR 14 2HG2 THR 14 6.964 5.180 -10.891
135 3HG2 THR 14 3HG2 THR 14 5.777 3.930 -11.261
136 H LEU 15 H LEU 15 6.522 0.900 -8.412
137 HA LEU 15 HA LEU 15 8.709 -0.950 -8.804
138 1HB LEU 15 1HB LEU 15 9.204 -0.455 -6.560
139 2HB LEU 15 2HB LEU 15 7.514 -0.377 -6.115
140 HG LEU 15 HG LEU 15 7.307 -2.782 -6.250
141 1HD1 LEU 15 1HD1 LEU 15 9.675 -1.824 -4.662
142 2HD1 LEU 15 2HD1 LEU 15 7.995 -1.939 -4.133
143 3HD1 LEU 15 3HD1 LEU 15 8.923 -3.405 -4.454
144 1HD2 LEU 15 1HD2 LEU 15 9.711 -2.572 -7.794
145 2HD2 LEU 15 2HD2 LEU 15 9.935 -3.702 -6.459
146 3HD2 LEU 15 3HD2 LEU 15 8.615 -3.939 -7.603
147 H GLU 16 H GLU 16 7.794 -2.414 -10.080
148 HA GLU 16 HA GLU 16 4.975 -2.982 -9.957
149 1HB GLU 16 1HB GLU 16 5.429 -4.477 -11.867
150 2HB GLU 16 2HB GLU 16 6.054 -2.855 -12.125
151 1HG GLU 16 1HG GLU 16 8.296 -3.623 -11.543
152 2HG GLU 16 2HG GLU 16 7.670 -5.249 -11.282
153 H VAL 17 H VAL 17 4.008 -4.621 -8.981
154 HA VAL 17 HA VAL 17 5.370 -7.085 -8.355
155 HB VAL 17 HB VAL 17 4.693 -6.941 -5.904
156 1HG1 VAL 17 1HG1 VAL 17 6.901 -5.150 -6.911
157 2HG1 VAL 17 2HG1 VAL 17 6.745 -5.740 -5.256
158 3HG1 VAL 17 3HG1 VAL 17 7.017 -6.877 -6.577
159 1HG2 VAL 17 1HG2 VAL 17 3.995 -4.250 -6.809
160 2HG2 VAL 17 2HG2 VAL 17 3.450 -5.149 -5.393
161 3HG2 VAL 17 3HG2 VAL 17 4.985 -4.280 -5.350
162 H GLU 18 H GLU 18 3.962 -8.734 -8.431
163 HA GLU 18 HA GLU 18 1.345 -8.405 -9.285
164 1HB GLU 18 1HB GLU 18 1.043 -10.790 -8.804
165 2HB GLU 18 2HB GLU 18 2.580 -10.484 -9.597
166 1HG GLU 18 1HG GLU 18 3.717 -10.626 -7.433
167 2HG GLU 18 2HG GLU 18 2.172 -10.961 -6.655
168 HA PRO 19 HA PRO 19 -1.022 -7.248 -5.740
169 1HB PRO 19 1HB PRO 19 -3.358 -8.556 -6.378
170 2HB PRO 19 2HB PRO 19 -2.873 -7.001 -7.048
171 1HG PRO 19 1HG PRO 19 -2.584 -9.736 -8.213
172 2HG PRO 19 2HG PRO 19 -3.115 -8.236 -8.990
173 1HD PRO 19 1HD PRO 19 -0.633 -9.136 -9.328
174 2HD PRO 19 2HD PRO 19 -0.939 -7.401 -9.132
175 H SER 20 H SER 20 -1.093 -10.633 -6.768
176 HA SER 20 HA SER 20 -2.074 -11.713 -4.362
177 1HB SER 20 1HB SER 20 -0.323 -12.985 -6.478
178 2HB SER 20 2HB SER 20 -1.174 -13.863 -5.209
179 HG SER 20 HG SER 20 -2.209 -12.509 -7.443
180 H ASP 21 H ASP 21 1.011 -10.496 -5.253
181 HA ASP 21 HA ASP 21 2.667 -11.952 -3.508
182 1HB ASP 21 1HB ASP 21 3.496 -10.468 -5.330
183 2HB ASP 21 2HB ASP 21 3.008 -9.072 -4.374
184 H THR 22 H THR 22 3.090 -11.804 -1.379
185 HA THR 22 HA THR 22 1.269 -10.506 0.335
186 HB THR 22 HB THR 22 2.774 -11.190 2.168
187 HG1 THR 22 HG1 THR 22 4.456 -12.275 0.148
188 1HG2 THR 22 1HG2 THR 22 1.195 -12.766 0.773
189 2HG2 THR 22 2HG2 THR 22 2.720 -13.519 0.306
190 3HG2 THR 22 3HG2 THR 22 2.266 -13.426 2.008
191 H ILE 23 H ILE 23 1.490 -8.746 1.692
192 HA ILE 23 HA ILE 23 2.742 -6.477 0.695
193 HB ILE 23 HB ILE 23 1.959 -6.986 3.569
194 1HG1 ILE 23 1HG1 ILE 23 0.379 -5.773 1.288
195 2HG1 ILE 23 2HG1 ILE 23 0.102 -7.361 1.992
196 1HG2 ILE 23 1HG2 ILE 23 3.484 -5.008 3.015
197 2HG2 ILE 23 2HG2 ILE 23 2.085 -4.323 2.187
198 3HG2 ILE 23 3HG2 ILE 23 2.005 -4.670 3.915
199 1HD1 ILE 23 1HD1 ILE 23 -0.034 -4.888 3.670
200 2HD1 ILE 23 2HD1 ILE 23 -1.411 -5.425 2.708
201 3HD1 ILE 23 3HD1 ILE 23 -0.749 -6.474 3.962
202 H GLU 24 H GLU 24 3.893 -8.825 3.060
203 HA GLU 24 HA GLU 24 6.106 -7.427 4.024
204 1HB GLU 24 1HB GLU 24 7.021 -9.632 4.631
205 2HB GLU 24 2HB GLU 24 5.330 -9.472 5.076
206 1HG GLU 24 1HG GLU 24 4.687 -10.760 3.105
207 2HG GLU 24 2HG GLU 24 6.383 -10.921 2.658
208 H ASN 25 H ASN 25 5.703 -9.312 1.082
209 HA ASN 25 HA ASN 25 8.479 -9.293 0.396
210 1HB ASN 25 1HB ASN 25 5.986 -9.970 -1.157
211 2HB ASN 25 2HB ASN 25 7.594 -10.032 -1.871
212 1HD2 ASN 25 2HD2 ASN 25 8.236 -12.048 -2.012
213 2HD2 ASN 25 1HD2 ASN 25 8.049 -13.268 -0.802
214 H VAL 26 H VAL 26 5.643 -7.467 -0.779
215 HA VAL 26 HA VAL 26 6.955 -5.964 -2.711
216 HB VAL 26 HB VAL 26 5.166 -4.313 -2.500
217 1HG1 VAL 26 1HG1 VAL 26 4.916 -6.953 -3.237
218 2HG1 VAL 26 2HG1 VAL 26 3.520 -6.681 -2.194
219 3HG1 VAL 26 3HG1 VAL 26 3.779 -5.656 -3.607
220 1HG2 VAL 26 1HG2 VAL 26 5.071 -4.445 0.018
221 2HG2 VAL 26 2HG2 VAL 26 3.520 -4.348 -0.816
222 3HG2 VAL 26 3HG2 VAL 26 4.089 -5.896 -0.191
223 H LYS 27 H LYS 27 6.590 -5.328 0.760
224 HA LYS 27 HA LYS 27 7.871 -2.787 0.687
225 1HB LYS 27 1HB LYS 27 7.557 -4.684 3.022
226 2HB LYS 27 2HB LYS 27 7.992 -2.984 3.127
227 1HG LYS 27 1HG LYS 27 5.776 -2.457 2.066
228 2HG LYS 27 2HG LYS 27 5.362 -4.158 2.271
229 1HD LYS 27 1HD LYS 27 6.094 -2.222 4.466
230 2HD LYS 27 2HD LYS 27 4.478 -2.832 4.111
231 1HE LYS 27 1HE LYS 27 6.832 -4.507 4.970
232 2HE LYS 27 2HE LYS 27 5.509 -3.992 6.012
233 1HZ LYS 27 1HZ LYS 27 4.777 -5.402 3.574
234 2HZ LYS 27 2HZ LYS 27 5.532 -6.321 4.777
235 3HZ LYS 27 3HZ LYS 27 4.099 -5.490 5.122
236 H ALA 28 H ALA 28 8.962 -6.085 1.241
237 HA ALA 28 HA ALA 28 11.538 -5.599 2.163
238 1HB ALA 28 1HB ALA 28 10.519 -7.871 0.467
239 2HB ALA 28 2HB ALA 28 12.077 -7.852 1.293
240 3HB ALA 28 3HB ALA 28 10.582 -7.803 2.228
241 H LYS 29 H LYS 29 10.340 -5.769 -1.169
242 HA LYS 29 HA LYS 29 12.851 -5.605 -2.445
243 1HB LYS 29 1HB LYS 29 10.234 -4.534 -3.520
244 2HB LYS 29 2HB LYS 29 11.620 -5.101 -4.444
245 1HG LYS 29 1HG LYS 29 11.238 -7.372 -3.551
246 2HG LYS 29 2HG LYS 29 9.794 -6.765 -2.735
247 1HD LYS 29 1HD LYS 29 8.811 -6.166 -4.879
248 2HD LYS 29 2HD LYS 29 10.268 -6.705 -5.714
249 1HE LYS 29 1HE LYS 29 9.893 -8.980 -4.862
250 2HE LYS 29 2HE LYS 29 8.416 -8.431 -4.076
251 1HZ LYS 29 1HZ LYS 29 8.540 -7.795 -6.879
252 2HZ LYS 29 2HZ LYS 29 8.564 -9.458 -6.567
253 3HZ LYS 29 3HZ LYS 29 7.292 -8.507 -5.986
254 H ILE 30 H ILE 30 10.578 -3.214 -1.264
255 HA ILE 30 HA ILE 30 11.701 -0.907 -2.345
256 HB ILE 30 HB ILE 30 10.374 -1.261 0.346
257 1HG1 ILE 30 1HG1 ILE 30 9.225 -0.416 -2.324
258 2HG1 ILE 30 2HG1 ILE 30 8.995 -1.988 -1.568
259 1HG2 ILE 30 1HG2 ILE 30 11.766 0.857 -0.080
260 2HG2 ILE 30 2HG2 ILE 30 10.506 1.291 -1.235
261 3HG2 ILE 30 3HG2 ILE 30 10.103 1.064 0.468
262 1HD1 ILE 30 1HD1 ILE 30 7.850 -0.892 0.308
263 2HD1 ILE 30 2HD1 ILE 30 8.030 0.658 -0.515
264 3HD1 ILE 30 3HD1 ILE 30 7.048 -0.615 -1.239
265 H GLN 31 H GLN 31 12.631 -2.878 0.402
266 HA GLN 31 HA GLN 31 14.491 -1.134 1.596
267 1HB GLN 31 1HB GLN 31 14.608 -4.157 1.473
268 2HB GLN 31 2HB GLN 31 15.430 -3.130 2.635
269 1HG GLN 31 1HG GLN 31 13.304 -2.443 3.572
270 2HG GLN 31 2HG GLN 31 12.448 -3.410 2.373
271 1HE2 GLN 31 2HE2 GLN 31 15.191 -5.061 3.139
272 2HE2 GLN 31 1HE2 GLN 31 14.568 -6.091 4.377
273 H ASP 32 H ASP 32 14.730 -3.570 -0.939
274 HA ASP 32 HA ASP 32 17.502 -3.364 -1.370
275 1HB ASP 32 1HB ASP 32 16.131 -5.242 -2.217
276 2HB ASP 32 2HB ASP 32 15.338 -4.143 -3.338
277 H LYS 33 H LYS 33 14.707 -1.711 -2.670
278 HA LYS 33 HA LYS 33 16.198 -0.112 -4.523
279 1HB LYS 33 1HB LYS 33 13.335 -0.044 -3.578
280 2HB LYS 33 2HB LYS 33 13.981 1.094 -4.755
281 1HG LYS 33 1HG LYS 33 14.614 -0.863 -6.174
282 2HG LYS 33 2HG LYS 33 13.755 -1.893 -5.030
283 1HD LYS 33 1HD LYS 33 11.688 -0.721 -5.473
284 2HD LYS 33 2HD LYS 33 12.524 0.401 -6.547
285 1HE LYS 33 1HE LYS 33 12.309 -2.576 -6.971
286 2HE LYS 33 2HE LYS 33 11.307 -1.364 -7.768
287 1HZ LYS 33 1HZ LYS 33 13.436 -0.393 -8.627
288 2HZ LYS 33 2HZ LYS 33 14.225 -1.781 -8.067
289 3HZ LYS 33 3HZ LYS 33 13.031 -1.910 -9.257
290 H GLU 34 H GLU 34 16.193 -0.071 -1.309
291 HA GLU 34 HA GLU 34 17.257 2.543 -1.114
292 1HB GLU 34 1HB GLU 34 14.843 3.119 -1.192
293 2HB GLU 34 2HB GLU 34 14.585 2.136 0.243
294 1HG GLU 34 1HG GLU 34 14.724 4.536 0.741
295 2HG GLU 34 2HG GLU 34 15.976 3.599 1.553
296 H GLY 35 H GLY 35 15.538 1.743 1.727
297 1HA GLY 35 1HA GLY 35 17.963 1.108 3.100
298 2HA GLY 35 2HA GLY 35 16.975 -0.321 2.848
299 H ILE 36 H ILE 36 14.445 0.509 3.298
300 HA ILE 36 HA ILE 36 14.559 1.491 6.061
301 HB ILE 36 HB ILE 36 12.215 2.322 5.713
302 1HG1 ILE 36 1HG1 ILE 36 11.754 1.050 3.628
303 2HG1 ILE 36 2HG1 ILE 36 11.421 2.769 3.476
304 1HG2 ILE 36 1HG2 ILE 36 14.701 3.499 5.038
305 2HG2 ILE 36 2HG2 ILE 36 13.477 4.114 3.927
306 3HG2 ILE 36 3HG2 ILE 36 13.245 4.268 5.668
307 1HD1 ILE 36 1HD1 ILE 36 13.726 2.951 2.416
308 2HD1 ILE 36 2HD1 ILE 36 13.661 1.193 2.283
309 3HD1 ILE 36 3HD1 ILE 36 12.445 2.182 1.477
310 HA PRO 37 HA PRO 37 13.009 -2.465 7.338
311 1HB PRO 37 1HB PRO 37 11.592 -0.678 9.277
312 2HB PRO 37 2HB PRO 37 12.478 -2.178 9.578
313 1HG PRO 37 1HG PRO 37 13.596 0.168 10.119
314 2HG PRO 37 2HG PRO 37 14.552 -1.137 9.391
315 1HD PRO 37 1HD PRO 37 13.480 1.345 8.151
316 2HD PRO 37 2HD PRO 37 14.959 0.444 7.777
317 HA PRO 38 HA PRO 38 9.055 -2.859 5.383
318 1HB PRO 38 1HB PRO 38 8.425 -4.847 7.492
319 2HB PRO 38 2HB PRO 38 8.422 -5.032 5.737
320 1HG PRO 38 1HG PRO 38 10.357 -6.100 7.239
321 2HG PRO 38 2HG PRO 38 10.697 -5.418 5.640
322 1HD PRO 38 1HD PRO 38 11.232 -4.272 8.344
323 2HD PRO 38 2HD PRO 38 12.204 -4.170 6.862
324 H ASP 39 H ASP 39 9.207 -2.629 8.900
325 HA ASP 39 HA ASP 39 6.496 -2.001 9.342
326 1HB ASP 39 1HB ASP 39 8.931 -1.292 10.993
327 2HB ASP 39 2HB ASP 39 7.262 -1.186 11.546
328 H GLN 40 H GLN 40 9.335 0.003 8.695
329 HA GLN 40 HA GLN 40 8.165 2.490 9.213
330 1HB GLN 40 1HB GLN 40 10.412 1.705 7.363
331 2HB GLN 40 2HB GLN 40 9.943 3.376 7.644
332 1HG GLN 40 1HG GLN 40 10.382 3.054 10.051
333 2HG GLN 40 2HG GLN 40 10.946 1.425 9.700
334 1HE2 GLN 40 2HE2 GLN 40 11.969 2.843 7.061
335 2HE2 GLN 40 1HE2 GLN 40 13.503 3.452 7.570
336 H GLN 41 H GLN 41 8.133 0.473 6.337
337 HA GLN 41 HA GLN 41 7.201 2.255 4.441
338 1HB GLN 41 1HB GLN 41 6.166 -0.565 4.636
339 2HB GLN 41 2HB GLN 41 6.490 0.380 3.190
340 1HG GLN 41 1HG GLN 41 8.562 -0.682 5.094
341 2HG GLN 41 2HG GLN 41 8.147 -1.375 3.529
342 1HE2 GLN 41 2HE2 GLN 41 9.829 -1.054 2.271
343 2HE2 GLN 41 1HE2 GLN 41 10.641 0.450 2.031
344 H ARG 42 H ARG 42 5.416 3.457 4.308
345 HA ARG 42 HA ARG 42 3.206 2.914 6.095
346 1HB ARG 42 1HB ARG 42 3.785 5.256 4.292
347 2HB ARG 42 2HB ARG 42 2.350 5.124 5.294
348 1HG ARG 42 1HG ARG 42 3.771 5.051 7.293
349 2HG ARG 42 2HG ARG 42 5.194 5.238 6.268
350 1HD ARG 42 1HD ARG 42 4.519 7.376 7.232
351 2HD ARG 42 2HD ARG 42 4.353 7.386 5.476
352 HE ARG 42 HE ARG 42 1.901 6.639 6.604
353 1HH1 ARG 42 1HH1 ARG 42 3.988 9.420 6.358
354 2HH1 ARG 42 2HH1 ARG 42 2.691 10.562 6.468
355 1HH2 ARG 42 1HH2 ARG 42 0.188 8.138 6.747
356 2HH2 ARG 42 2HH2 ARG 42 0.533 9.834 6.691
357 H LEU 43 H LEU 43 1.446 1.827 5.460
358 HA LEU 43 HA LEU 43 1.056 1.280 2.647
359 1HB LEU 43 1HB LEU 43 -0.659 0.477 4.998
360 2HB LEU 43 2HB LEU 43 -0.801 -0.133 3.364
361 HG LEU 43 HG LEU 43 1.256 -0.764 5.440
362 1HD1 LEU 43 1HD1 LEU 43 1.712 -0.569 2.516
363 2HD1 LEU 43 2HD1 LEU 43 2.836 -0.351 3.857
364 3HD1 LEU 43 3HD1 LEU 43 2.364 -1.975 3.357
365 1HD2 LEU 43 1HD2 LEU 43 -0.933 -2.072 4.580
366 2HD2 LEU 43 2HD2 LEU 43 0.275 -2.725 3.475
367 3HD2 LEU 43 3HD2 LEU 43 0.501 -2.878 5.218
368 H ILE 44 H ILE 44 -0.313 2.299 1.323
369 HA ILE 44 HA ILE 44 -2.471 3.921 2.447
370 HB ILE 44 HB ILE 44 -0.471 5.020 0.471
371 1HG1 ILE 44 1HG1 ILE 44 -0.968 5.790 3.356
372 2HG1 ILE 44 2HG1 ILE 44 0.415 4.869 2.778
373 1HG2 ILE 44 1HG2 ILE 44 -2.913 5.723 0.286
374 2HG2 ILE 44 2HG2 ILE 44 -2.676 6.529 1.837
375 3HG2 ILE 44 3HG2 ILE 44 -1.715 7.008 0.438
376 1HD1 ILE 44 1HD1 ILE 44 0.788 6.934 1.241
377 2HD1 ILE 44 2HD1 ILE 44 -0.216 7.755 2.438
378 3HD1 ILE 44 3HD1 ILE 44 1.289 6.976 2.932
379 H PHE 45 H PHE 45 -4.256 4.072 1.155
380 HA PHE 45 HA PHE 45 -4.098 2.972 -1.563
381 1HB PHE 45 1HB PHE 45 -6.194 2.219 0.489
382 2HB PHE 45 2HB PHE 45 -6.183 1.708 -1.196
383 HD1 PHE 45 HD1 PHE 45 -4.250 1.502 1.964
384 HD2 PHE 45 HD2 PHE 45 -5.061 -0.222 -1.840
385 HE1 PHE 45 HE1 PHE 45 -2.899 -0.463 2.572
386 HE2 PHE 45 HE2 PHE 45 -3.715 -2.192 -1.239
387 HZ PHE 45 HZ PHE 45 -2.632 -2.315 0.970
388 H ALA 46 H ALA 46 -5.389 3.989 -3.059
389 HA ALA 46 HA ALA 46 -7.461 5.821 -2.131
390 1HB ALA 46 1HB ALA 46 -5.632 7.310 -2.056
391 2HB ALA 46 2HB ALA 46 -4.996 6.728 -3.594
392 3HB ALA 46 3HB ALA 46 -6.487 7.669 -3.557
393 H GLY 47 H GLY 47 -9.098 6.095 -3.566
394 1HA GLY 47 1HA GLY 47 -10.442 5.600 -5.360
395 2HA GLY 47 2HA GLY 47 -9.341 4.282 -5.721
396 H LYS 48 H LYS 48 -10.763 6.606 -7.241
397 HA LYS 48 HA LYS 48 -8.593 8.036 -8.468
398 1HB LYS 48 1HB LYS 48 -8.338 5.846 -9.552
399 2HB LYS 48 2HB LYS 48 -10.015 5.919 -10.079
400 1HG LYS 48 1HG LYS 48 -9.532 7.854 -11.452
401 2HG LYS 48 2HG LYS 48 -7.866 7.873 -10.874
402 1HD LYS 48 1HD LYS 48 -7.980 6.853 -13.068
403 2HD LYS 48 2HD LYS 48 -7.515 5.652 -11.861
404 1HE LYS 48 1HE LYS 48 -9.817 4.834 -11.786
405 2HE LYS 48 2HE LYS 48 -10.286 6.036 -12.985
406 1HZ LYS 48 1HZ LYS 48 -8.077 4.514 -13.902
407 2HZ LYS 48 2HZ LYS 48 -9.352 3.490 -13.466
408 3HZ LYS 48 3HZ LYS 48 -9.603 4.714 -14.607
409 H GLN 49 H GLN 49 -9.907 9.719 -7.743
410 HA GLN 49 HA GLN 49 -12.555 10.109 -8.666
411 1HB GLN 49 1HB GLN 49 -11.381 11.278 -6.713
412 2HB GLN 49 2HB GLN 49 -10.607 12.293 -7.920
413 1HG GLN 49 1HG GLN 49 -12.566 13.356 -6.919
414 2HG GLN 49 2HG GLN 49 -12.750 13.116 -8.655
415 1HE2 GLN 49 2HE2 GLN 49 -14.177 12.717 -5.669
416 2HE2 GLN 49 1HE2 GLN 49 -15.436 11.624 -6.118
417 H LEU 50 H LEU 50 -12.756 9.867 -10.811
418 HA LEU 50 HA LEU 50 -11.082 10.414 -12.861
419 1HB LEU 50 1HB LEU 50 -14.064 10.872 -12.900
420 2HB LEU 50 2HB LEU 50 -13.048 10.689 -14.315
421 HG LEU 50 HG LEU 50 -14.113 8.613 -14.033
422 1HD1 LEU 50 1HD1 LEU 50 -11.573 8.620 -14.328
423 2HD1 LEU 50 2HD1 LEU 50 -11.506 8.104 -12.641
424 3HD1 LEU 50 3HD1 LEU 50 -12.342 7.110 -13.837
425 1HD2 LEU 50 1HD2 LEU 50 -14.385 9.305 -11.403
426 2HD2 LEU 50 2HD2 LEU 50 -14.821 7.748 -12.108
427 3HD2 LEU 50 3HD2 LEU 50 -13.252 7.956 -11.330
428 H GLU 51 H GLU 51 -9.874 12.279 -12.238
429 HA GLU 51 HA GLU 51 -10.906 14.856 -11.932
430 1HB GLU 51 1HB GLU 51 -8.243 14.038 -13.107
431 2HB GLU 51 2HB GLU 51 -8.647 15.646 -12.524
432 1HG GLU 51 1HG GLU 51 -8.953 14.761 -10.273
433 2HG GLU 51 2HG GLU 51 -8.558 13.144 -10.855
434 H1 GLY -1 H1 GLY -1 -4.836 -8.659 14.936
435 H2 GLY -1 H2 GLY -1 -4.483 -9.228 16.489
436 H3 GLY -1 H3 GLY -1 -5.727 -8.105 16.262
437 1HA GLY -1 1HA GLY -1 -3.226 -7.476 17.014
438 2HA GLY -1 2HA GLY -1 -4.359 -6.363 16.265
439 H SER 0 H SER 0 -4.418 -7.226 13.679
440 HA SER 0 HA SER 0 -1.880 -7.718 12.542
441 1HB SER 0 1HB SER 0 -2.971 -7.073 10.402
442 2HB SER 0 2HB SER 0 -3.917 -8.241 11.326
443 HG SER 0 HG SER 0 -5.441 -6.815 10.993
444 H MET 1 H MET 1 -2.953 -5.175 10.724
445 HA MET 1 HA MET 1 -1.669 -3.057 12.221
446 1HB MET 1 1HB MET 1 -0.064 -2.569 10.352
447 2HB MET 1 2HB MET 1 0.295 -4.023 11.273
448 1HG MET 1 1HG MET 1 -0.525 -5.424 9.541
449 2HG MET 1 2HG MET 1 -1.203 -4.051 8.669
450 1HE MET 1 1HE MET 1 0.117 -2.070 8.223
451 2HE MET 1 2HE MET 1 1.877 -1.949 8.197
452 3HE MET 1 3HE MET 1 1.008 -2.470 6.753
453 H GLN 2 H GLN 2 -2.848 -1.314 11.922
454 HA GLN 2 HA GLN 2 -4.873 -1.075 10.001
455 1HB GLN 2 1HB GLN 2 -5.054 1.252 10.778
456 2HB GLN 2 2HB GLN 2 -4.963 0.116 12.114
457 1HG GLN 2 1HG GLN 2 -2.596 0.652 12.405
458 2HG GLN 2 2HG GLN 2 -2.699 1.803 11.073
459 1HE2 GLN 2 2HE2 GLN 2 -2.856 3.818 11.708
460 2HE2 GLN 2 1HE2 GLN 2 -3.635 4.384 13.140
461 H ILE 3 H ILE 3 -5.023 0.051 8.108
462 HA ILE 3 HA ILE 3 -2.494 1.009 6.941
463 HB ILE 3 HB ILE 3 -3.316 0.332 4.753
464 1HG1 ILE 3 1HG1 ILE 3 -5.721 -0.751 6.228
465 2HG1 ILE 3 2HG1 ILE 3 -5.718 0.647 5.161
466 1HG2 ILE 3 1HG2 ILE 3 -3.464 -1.872 6.797
467 2HG2 ILE 3 2HG2 ILE 3 -3.284 -2.114 5.059
468 3HG2 ILE 3 3HG2 ILE 3 -2.019 -1.289 5.970
469 1HD1 ILE 3 1HD1 ILE 3 -4.631 -1.655 3.824
470 2HD1 ILE 3 2HD1 ILE 3 -6.233 -1.995 4.479
471 3HD1 ILE 3 3HD1 ILE 3 -6.000 -0.634 3.381
472 H PHE 4 H PHE 4 -2.617 2.806 5.514
473 HA PHE 4 HA PHE 4 -4.748 4.653 6.214
474 1HB PHE 4 1HB PHE 4 -2.242 5.045 4.558
475 2HB PHE 4 2HB PHE 4 -3.379 6.320 4.970
476 HD1 PHE 4 HD1 PHE 4 -2.637 7.735 6.595
477 HD2 PHE 4 HD2 PHE 4 -1.578 3.620 6.834
478 HE1 PHE 4 HE1 PHE 4 -1.392 8.179 8.670
479 HE2 PHE 4 HE2 PHE 4 -0.334 4.057 8.911
480 HZ PHE 4 HZ PHE 4 -0.241 6.338 9.832
481 H VAL 5 H VAL 5 -6.379 5.228 4.893
482 HA VAL 5 HA VAL 5 -6.231 4.561 2.050
483 HB VAL 5 HB VAL 5 -8.526 3.669 3.803
484 1HG1 VAL 5 1HG1 VAL 5 -9.241 4.308 1.564
485 2HG1 VAL 5 2HG1 VAL 5 -8.019 3.250 0.860
486 3HG1 VAL 5 3HG1 VAL 5 -9.354 2.562 1.784
487 1HG2 VAL 5 1HG2 VAL 5 -6.073 2.317 2.901
488 2HG2 VAL 5 2HG2 VAL 5 -7.106 1.991 4.292
489 3HG2 VAL 5 3HG2 VAL 5 -7.567 1.404 2.694
490 H LYS 6 H LYS 6 -7.793 5.632 0.752
491 HA LYS 6 HA LYS 6 -9.309 7.786 2.020
492 1HB LYS 6 1HB LYS 6 -7.448 8.193 -0.329
493 2HB LYS 6 2HB LYS 6 -8.532 9.403 0.336
494 1HG LYS 6 1HG LYS 6 -7.278 9.213 2.496
495 2HG LYS 6 2HG LYS 6 -6.110 8.201 1.646
496 1HD LYS 6 1HD LYS 6 -5.699 10.024 0.055
497 2HD LYS 6 2HD LYS 6 -6.847 11.037 0.929
498 1HE LYS 6 1HE LYS 6 -4.700 11.683 1.672
499 2HE LYS 6 2HE LYS 6 -5.401 10.716 2.968
500 1HZ LYS 6 1HZ LYS 6 -3.495 9.693 0.938
501 2HZ LYS 6 2HZ LYS 6 -3.073 10.158 2.508
502 3HZ LYS 6 3HZ LYS 6 -4.103 8.838 2.265
503 H THR 7 H THR 7 -11.334 7.763 1.294
504 HA THR 7 HA THR 7 -12.120 6.063 -0.861
505 HB THR 7 HB THR 7 -14.387 6.829 -0.436
506 HG1 THR 7 HG1 THR 7 -13.738 9.076 -0.042
507 1HG2 THR 7 1HG2 THR 7 -12.611 6.028 1.789
508 2HG2 THR 7 2HG2 THR 7 -14.208 6.624 2.240
509 3HG2 THR 7 3HG2 THR 7 -14.057 5.243 1.153
510 H LEU 8 H LEU 8 -14.229 7.695 -1.936
511 HA LEU 8 HA LEU 8 -12.899 8.821 -4.149
512 1HB LEU 8 1HB LEU 8 -15.736 9.032 -3.163
513 2HB LEU 8 2HB LEU 8 -15.199 9.809 -4.637
514 HG LEU 8 HG LEU 8 -14.675 7.646 -5.630
515 1HD1 LEU 8 1HD1 LEU 8 -14.068 6.546 -3.453
516 2HD1 LEU 8 2HD1 LEU 8 -15.796 6.354 -3.162
517 3HD1 LEU 8 3HD1 LEU 8 -15.044 5.575 -4.553
518 1HD2 LEU 8 1HD2 LEU 8 -17.207 8.626 -5.051
519 2HD2 LEU 8 2HD2 LEU 8 -16.786 7.443 -6.289
520 3HD2 LEU 8 3HD2 LEU 8 -17.298 6.903 -4.691
521 H THR 9 H THR 9 -14.627 10.360 -1.439
522 HA THR 9 HA THR 9 -13.755 12.993 -2.253
523 HB THR 9 HB THR 9 -15.968 12.732 -1.255
524 HG1 THR 9 HG1 THR 9 -14.366 14.603 -0.750
525 1HG2 THR 9 1HG2 THR 9 -14.742 10.971 0.478
526 2HG2 THR 9 2HG2 THR 9 -15.074 12.374 1.496
527 3HG2 THR 9 3HG2 THR 9 -16.389 11.586 0.623
528 H GLY 10 H GLY 10 -11.719 10.988 -1.520
529 1HA GLY 10 1HA GLY 10 -9.910 12.613 -0.172
530 2HA GLY 10 2HA GLY 10 -9.744 10.874 -0.363
531 H LYS 11 H LYS 11 -12.112 10.171 1.094
532 HA LYS 11 HA LYS 11 -11.989 11.309 3.708
533 1HB LYS 11 1HB LYS 11 -14.060 10.331 2.897
534 2HB LYS 11 2HB LYS 11 -13.279 8.766 2.711
535 1HG LYS 11 1HG LYS 11 -12.859 8.814 5.197
536 2HG LYS 11 2HG LYS 11 -13.932 10.214 5.261
537 1HD LYS 11 1HD LYS 11 -14.657 7.476 4.223
538 2HD LYS 11 2HD LYS 11 -15.132 8.149 5.784
539 1HE LYS 11 1HE LYS 11 -15.889 9.245 3.080
540 2HE LYS 11 2HE LYS 11 -16.941 8.325 4.155
541 1HZ LYS 11 1HZ LYS 11 -15.810 10.534 5.522
542 2HZ LYS 11 2HZ LYS 11 -16.585 11.060 4.112
543 3HZ LYS 11 3HZ LYS 11 -17.440 10.162 5.263
544 H THR 12 H THR 12 -10.707 10.772 5.375
545 HA THR 12 HA THR 12 -8.627 8.841 5.020
546 HB THR 12 HB THR 12 -9.447 10.318 7.531
547 HG1 THR 12 HG1 THR 12 -7.926 11.010 5.302
548 1HG2 THR 12 1HG2 THR 12 -7.891 8.155 7.515
549 2HG2 THR 12 2HG2 THR 12 -6.677 9.353 7.065
550 3HG2 THR 12 3HG2 THR 12 -7.575 9.531 8.573
551 H ILE 13 H ILE 13 -8.554 6.764 5.648
552 HA ILE 13 HA ILE 13 -10.480 5.787 7.608
553 HB ILE 13 HB ILE 13 -11.824 5.126 5.930
554 1HG1 ILE 13 1HG1 ILE 13 -9.696 2.992 5.982
555 2HG1 ILE 13 2HG1 ILE 13 -11.228 3.019 6.849
556 1HG2 ILE 13 1HG2 ILE 13 -9.700 5.952 4.313
557 2HG2 ILE 13 2HG2 ILE 13 -10.110 4.322 3.774
558 3HG2 ILE 13 3HG2 ILE 13 -11.351 5.578 3.815
559 1HD1 ILE 13 1HD1 ILE 13 -12.336 2.925 4.567
560 2HD1 ILE 13 2HD1 ILE 13 -10.738 2.519 3.936
561 3HD1 ILE 13 3HD1 ILE 13 -11.513 1.468 5.126
562 H THR 14 H THR 14 -9.765 4.201 8.845
563 HA THR 14 HA THR 14 -7.037 3.217 8.380
564 HB THR 14 HB THR 14 -8.274 2.545 10.953
565 HG1 THR 14 HG1 THR 14 -9.245 4.557 10.783
566 1HG2 THR 14 1HG2 THR 14 -5.699 3.283 9.831
567 2HG2 THR 14 2HG2 THR 14 -6.024 4.115 11.352
568 3HG2 THR 14 3HG2 THR 14 -6.070 2.353 11.283
569 H LEU 15 H LEU 15 -6.579 0.971 8.477
570 HA LEU 15 HA LEU 15 -8.738 -0.908 8.880
571 1HB LEU 15 1HB LEU 15 -9.065 -0.080 6.564
572 2HB LEU 15 2HB LEU 15 -7.457 -0.627 6.158
573 HG LEU 15 HG LEU 15 -9.713 -2.443 7.006
574 1HD1 LEU 15 1HD1 LEU 15 -8.650 -1.675 4.300
575 2HD1 LEU 15 2HD1 LEU 15 -9.611 -3.127 4.580
576 3HD1 LEU 15 3HD1 LEU 15 -10.304 -1.536 4.898
577 1HD2 LEU 15 1HD2 LEU 15 -6.872 -2.881 6.217
578 2HD2 LEU 15 2HD2 LEU 15 -7.815 -3.637 7.503
579 3HD2 LEU 15 3HD2 LEU 15 -8.091 -4.096 5.823
580 H GLU 16 H GLU 16 -7.784 -2.400 10.102
581 HA GLU 16 HA GLU 16 -4.954 -2.922 9.913
582 1HB GLU 16 1HB GLU 16 -5.332 -4.401 11.844
583 2HB GLU 16 2HB GLU 16 -5.992 -2.792 12.103
584 1HG GLU 16 1HG GLU 16 -8.226 -3.622 11.576
585 2HG GLU 16 2HG GLU 16 -7.567 -5.232 11.311
586 H VAL 17 H VAL 17 -3.969 -4.631 9.033
587 HA VAL 17 HA VAL 17 -5.319 -7.094 8.426
588 HB VAL 17 HB VAL 17 -4.559 -6.948 5.956
589 1HG1 VAL 17 1HG1 VAL 17 -6.979 -5.472 6.972
590 2HG1 VAL 17 2HG1 VAL 17 -6.737 -5.964 5.296
591 3HG1 VAL 17 3HG1 VAL 17 -6.869 -7.183 6.563
592 1HG2 VAL 17 1HG2 VAL 17 -4.152 -4.212 6.862
593 2HG2 VAL 17 2HG2 VAL 17 -3.565 -5.024 5.411
594 3HG2 VAL 17 3HG2 VAL 17 -5.183 -4.320 5.433
595 H GLU 18 H GLU 18 -3.909 -8.745 8.449
596 HA GLU 18 HA GLU 18 -1.287 -8.409 9.301
597 1HB GLU 18 1HB GLU 18 -0.984 -10.806 8.737
598 2HB GLU 18 2HB GLU 18 -2.449 -10.491 9.655
599 1HG GLU 18 1HG GLU 18 -3.770 -10.623 7.614
600 2HG GLU 18 2HG GLU 18 -2.305 -10.908 6.678
601 HA PRO 19 HA PRO 19 1.073 -7.233 5.757
602 1HB PRO 19 1HB PRO 19 3.395 -8.593 6.386
603 2HB PRO 19 2HB PRO 19 2.954 -7.012 7.023
604 1HG PRO 19 1HG PRO 19 2.641 -9.711 8.258
605 2HG PRO 19 2HG PRO 19 3.157 -8.191 9.008
606 1HD PRO 19 1HD PRO 19 0.676 -9.106 9.351
607 2HD PRO 19 2HD PRO 19 0.987 -7.374 9.127
608 H SER 20 H SER 20 1.123 -10.624 6.764
609 HA SER 20 HA SER 20 2.089 -11.694 4.349
610 1HB SER 20 1HB SER 20 0.315 -12.996 6.429
611 2HB SER 20 2HB SER 20 1.231 -13.842 5.185
612 HG SER 20 HG SER 20 2.163 -12.478 7.457
613 H ASP 21 H ASP 21 -1.025 -10.538 5.294
614 HA ASP 21 HA ASP 21 -2.672 -11.953 3.531
615 1HB ASP 21 1HB ASP 21 -3.476 -10.469 5.371
616 2HB ASP 21 2HB ASP 21 -3.007 -9.075 4.403
617 H THR 22 H THR 22 -3.075 -11.815 1.402
618 HA THR 22 HA THR 22 -1.267 -10.508 -0.312
619 HB THR 22 HB THR 22 -2.780 -11.188 -2.144
620 HG1 THR 22 HG1 THR 22 -4.442 -12.304 -0.126
621 1HG2 THR 22 1HG2 THR 22 -1.179 -12.758 -0.768
622 2HG2 THR 22 2HG2 THR 22 -2.694 -13.523 -0.290
623 3HG2 THR 22 3HG2 THR 22 -2.257 -13.422 -1.997
624 H ILE 23 H ILE 23 -1.499 -8.758 -1.684
625 HA ILE 23 HA ILE 23 -2.751 -6.485 -0.687
626 HB ILE 23 HB ILE 23 -1.966 -6.999 -3.561
627 1HG1 ILE 23 1HG1 ILE 23 -0.380 -5.786 -1.284
628 2HG1 ILE 23 2HG1 ILE 23 -0.111 -7.378 -1.982
629 1HG2 ILE 23 1HG2 ILE 23 -3.485 -5.017 -3.004
630 2HG2 ILE 23 2HG2 ILE 23 -2.081 -4.336 -2.182
631 3HG2 ILE 23 3HG2 ILE 23 -2.009 -4.684 -3.909
632 1HD1 ILE 23 1HD1 ILE 23 0.028 -4.923 -3.682
633 2HD1 ILE 23 2HD1 ILE 23 1.404 -5.439 -2.704
634 3HD1 ILE 23 3HD1 ILE 23 0.755 -6.509 -3.947
635 H GLU 24 H GLU 24 -3.896 -8.842 -3.046
636 HA GLU 24 HA GLU 24 -6.104 -7.448 -4.025
637 1HB GLU 24 1HB GLU 24 -7.016 -9.655 -4.628
638 2HB GLU 24 2HB GLU 24 -5.322 -9.497 -5.063
639 1HG GLU 24 1HG GLU 24 -4.690 -10.777 -3.085
640 2HG GLU 24 2HG GLU 24 -6.388 -10.935 -2.646
641 H ASN 25 H ASN 25 -5.732 -9.349 -1.083
642 HA ASN 25 HA ASN 25 -8.512 -9.307 -0.417
643 1HB ASN 25 1HB ASN 25 -6.040 -10.001 1.161
644 2HB ASN 25 2HB ASN 25 -7.658 -10.069 1.848
645 1HD2 ASN 25 2HD2 ASN 25 -8.303 -12.085 1.967
646 2HD2 ASN 25 1HD2 ASN 25 -8.094 -13.297 0.752
647 H VAL 26 H VAL 26 -5.669 -7.519 0.802
648 HA VAL 26 HA VAL 26 -6.977 -6.015 2.729
649 HB VAL 26 HB VAL 26 -5.179 -4.374 2.534
650 1HG1 VAL 26 1HG1 VAL 26 -4.939 -7.032 3.232
651 2HG1 VAL 26 2HG1 VAL 26 -3.533 -6.736 2.209
652 3HG1 VAL 26 3HG1 VAL 26 -3.810 -5.738 3.637
653 1HG2 VAL 26 1HG2 VAL 26 -5.087 -4.490 0.010
654 2HG2 VAL 26 2HG2 VAL 26 -3.538 -4.392 0.848
655 3HG2 VAL 26 3HG2 VAL 26 -4.100 -5.938 0.213
656 H LYS 27 H LYS 27 -6.618 -5.377 -0.740
657 HA LYS 27 HA LYS 27 -7.895 -2.831 -0.657
658 1HB LYS 27 1HB LYS 27 -7.558 -4.724 -2.993
659 2HB LYS 27 2HB LYS 27 -8.027 -3.035 -3.104
660 1HG LYS 27 1HG LYS 27 -5.824 -2.463 -2.033
661 2HG LYS 27 2HG LYS 27 -5.373 -4.153 -2.249
662 1HD LYS 27 1HD LYS 27 -6.144 -2.217 -4.431
663 2HD LYS 27 2HD LYS 27 -4.517 -2.803 -4.082
664 1HE LYS 27 1HE LYS 27 -6.849 -4.504 -4.957
665 2HE LYS 27 2HE LYS 27 -5.524 -3.971 -5.988
666 1HZ LYS 27 1HZ LYS 27 -4.779 -5.377 -3.556
667 2HZ LYS 27 2HZ LYS 27 -5.540 -6.305 -4.749
668 3HZ LYS 27 3HZ LYS 27 -4.114 -5.470 -5.109
669 H ALA 28 H ALA 28 -8.973 -6.129 -1.220
670 HA ALA 28 HA ALA 28 -11.555 -5.648 -2.133
671 1HB ALA 28 1HB ALA 28 -12.081 -7.910 -1.271
672 2HB ALA 28 2HB ALA 28 -10.593 -7.850 -2.217
673 3HB ALA 28 3HB ALA 28 -10.516 -7.927 -0.457
674 H LYS 29 H LYS 29 -10.309 -5.757 1.173
675 HA LYS 29 HA LYS 29 -12.820 -5.630 2.476
676 1HB LYS 29 1HB LYS 29 -10.182 -4.583 3.527
677 2HB LYS 29 2HB LYS 29 -11.568 -5.124 4.466
678 1HG LYS 29 1HG LYS 29 -11.230 -7.404 3.564
679 2HG LYS 29 2HG LYS 29 -9.772 -6.819 2.756
680 1HD LYS 29 1HD LYS 29 -8.789 -6.242 4.903
681 2HD LYS 29 2HD LYS 29 -10.259 -6.754 5.733
682 1HE LYS 29 1HE LYS 29 -9.923 -9.035 4.869
683 2HE LYS 29 2HE LYS 29 -8.425 -8.510 4.107
684 1HZ LYS 29 1HZ LYS 29 -8.579 -7.888 6.912
685 2HZ LYS 29 2HZ LYS 29 -8.624 -9.548 6.588
686 3HZ LYS 29 3HZ LYS 29 -7.330 -8.612 6.032
687 H ILE 30 H ILE 30 -10.560 -3.264 1.248
688 HA ILE 30 HA ILE 30 -11.664 -0.945 2.340
689 HB ILE 30 HB ILE 30 -10.339 -1.294 -0.352
690 1HG1 ILE 30 1HG1 ILE 30 -9.171 -0.519 2.330
691 2HG1 ILE 30 2HG1 ILE 30 -8.960 -2.076 1.538
692 1HG2 ILE 30 1HG2 ILE 30 -11.692 0.839 0.117
693 2HG2 ILE 30 2HG2 ILE 30 -10.416 1.232 1.269
694 3HG2 ILE 30 3HG2 ILE 30 -10.029 1.025 -0.439
695 1HD1 ILE 30 1HD1 ILE 30 -7.793 -0.967 -0.305
696 2HD1 ILE 30 2HD1 ILE 30 -7.980 0.579 0.522
697 3HD1 ILE 30 3HD1 ILE 30 -7.001 -0.695 1.248
698 H GLN 31 H GLN 31 -12.631 -2.954 -0.358
699 HA GLN 31 HA GLN 31 -14.458 -1.202 -1.597
700 1HB GLN 31 1HB GLN 31 -14.624 -4.219 -1.392
701 2HB GLN 31 2HB GLN 31 -15.454 -3.212 -2.567
702 1HG GLN 31 1HG GLN 31 -13.326 -2.566 -3.542
703 2HG GLN 31 2HG GLN 31 -12.473 -3.538 -2.343
704 1HE2 GLN 31 2HE2 GLN 31 -15.267 -5.131 -3.062
705 2HE2 GLN 31 1HE2 GLN 31 -14.681 -6.190 -4.292
706 H ASP 32 H ASP 32 -14.794 -3.644 0.939
707 HA ASP 32 HA ASP 32 -17.546 -3.213 1.416
708 1HB ASP 32 1HB ASP 32 -16.410 -5.254 2.178
709 2HB ASP 32 2HB ASP 32 -15.403 -4.299 3.261
710 H LYS 33 H LYS 33 -14.590 -1.806 2.505
711 HA LYS 33 HA LYS 33 -15.602 -0.220 4.620
712 1HB LYS 33 1HB LYS 33 -13.094 -0.108 2.947
713 2HB LYS 33 2HB LYS 33 -13.413 1.041 4.241
714 1HG LYS 33 1HG LYS 33 -13.326 -1.940 4.628
715 2HG LYS 33 2HG LYS 33 -11.938 -0.875 4.858
716 1HD LYS 33 1HD LYS 33 -13.202 0.368 6.564
717 2HD LYS 33 2HD LYS 33 -14.553 -0.748 6.353
718 1HE LYS 33 1HE LYS 33 -13.083 -2.610 7.023
719 2HE LYS 33 2HE LYS 33 -11.780 -1.456 7.300
720 1HZ LYS 33 1HZ LYS 33 -13.295 -0.347 8.925
721 2HZ LYS 33 2HZ LYS 33 -14.344 -1.666 8.770
722 3HZ LYS 33 3HZ LYS 33 -12.782 -1.893 9.379
723 H GLU 34 H GLU 34 -15.748 0.013 1.226
724 HA GLU 34 HA GLU 34 -17.209 2.491 1.373
725 1HB GLU 34 1HB GLU 34 -14.925 3.346 1.244
726 2HB GLU 34 2HB GLU 34 -14.613 2.355 -0.173
727 1HG GLU 34 1HG GLU 34 -14.991 4.631 -0.839
728 2HG GLU 34 2HG GLU 34 -16.316 3.619 -1.412
729 H GLY 35 H GLY 35 -15.474 1.444 -1.500
730 1HA GLY 35 1HA GLY 35 -17.989 1.027 -2.870
731 2HA GLY 35 2HA GLY 35 -17.039 -0.433 -2.647
732 H ILE 36 H ILE 36 -14.489 0.417 -3.066
733 HA ILE 36 HA ILE 36 -14.563 1.474 -5.811
734 HB ILE 36 HB ILE 36 -11.938 1.715 -4.929
735 1HG1 ILE 36 1HG1 ILE 36 -12.162 3.144 -2.906
736 2HG1 ILE 36 2HG1 ILE 36 -13.853 2.674 -2.795
737 1HG2 ILE 36 1HG2 ILE 36 -14.127 3.414 -5.779
738 2HG2 ILE 36 2HG2 ILE 36 -12.980 4.237 -4.718
739 3HG2 ILE 36 3HG2 ILE 36 -12.413 3.459 -6.199
740 1HD1 ILE 36 1HD1 ILE 36 -12.514 0.270 -2.925
741 2HD1 ILE 36 2HD1 ILE 36 -11.479 1.284 -1.920
742 3HD1 ILE 36 3HD1 ILE 36 -13.166 1.036 -1.475
743 HA PRO 37 HA PRO 37 -13.075 -2.434 -7.304
744 1HB PRO 37 1HB PRO 37 -11.612 -0.625 -9.181
745 2HB PRO 37 2HB PRO 37 -12.598 -2.049 -9.539
746 1HG PRO 37 1HG PRO 37 -13.575 0.371 -9.967
747 2HG PRO 37 2HG PRO 37 -14.600 -0.880 -9.238
748 1HD PRO 37 1HD PRO 37 -13.227 1.438 -7.941
749 2HD PRO 37 2HD PRO 37 -14.829 0.751 -7.614
750 HA PRO 38 HA PRO 38 -9.121 -2.915 -5.342
751 1HB PRO 38 1HB PRO 38 -8.538 -4.900 -7.465
752 2HB PRO 38 2HB PRO 38 -8.527 -5.094 -5.711
753 1HG PRO 38 1HG PRO 38 -10.489 -6.121 -7.212
754 2HG PRO 38 2HG PRO 38 -10.807 -5.451 -5.603
755 1HD PRO 38 1HD PRO 38 -11.351 -4.274 -8.292
756 2HD PRO 38 2HD PRO 38 -12.302 -4.163 -6.797
757 H ASP 39 H ASP 39 -9.295 -2.672 -8.853
758 HA ASP 39 HA ASP 39 -6.570 -2.078 -9.293
759 1HB ASP 39 1HB ASP 39 -8.993 -1.424 -10.979
760 2HB ASP 39 2HB ASP 39 -7.321 -1.315 -11.521
761 H GLN 40 H GLN 40 -9.377 -0.059 -8.572
762 HA GLN 40 HA GLN 40 -8.139 2.383 -9.237
763 1HB GLN 40 1HB GLN 40 -10.476 1.778 -7.433
764 2HB GLN 40 2HB GLN 40 -9.969 3.407 -7.862
765 1HG GLN 40 1HG GLN 40 -10.279 2.806 -10.255
766 2HG GLN 40 2HG GLN 40 -10.936 1.259 -9.734
767 1HE2 GLN 40 2HE2 GLN 40 -11.890 3.319 -7.424
768 2HE2 GLN 40 1HE2 GLN 40 -13.420 3.805 -8.061
769 H GLN 41 H GLN 41 -8.243 0.522 -6.234
770 HA GLN 41 HA GLN 41 -7.273 2.410 -4.454
771 1HB GLN 41 1HB GLN 41 -6.999 -0.562 -4.630
772 2HB GLN 41 2HB GLN 41 -6.043 0.307 -3.440
773 1HG GLN 41 1HG GLN 41 -8.027 -0.473 -2.389
774 2HG GLN 41 2HG GLN 41 -8.130 1.279 -2.541
775 1HE2 GLN 41 2HE2 GLN 41 -9.882 -1.403 -2.703
776 2HE2 GLN 41 1HE2 GLN 41 -11.091 -0.933 -3.839
777 H ARG 42 H ARG 42 -5.424 3.497 -4.266
778 HA ARG 42 HA ARG 42 -3.282 2.917 -6.108
779 1HB ARG 42 1HB ARG 42 -3.733 5.225 -4.233
780 2HB ARG 42 2HB ARG 42 -2.323 5.070 -5.267
781 1HG ARG 42 1HG ARG 42 -3.766 5.109 -7.238
782 2HG ARG 42 2HG ARG 42 -5.177 5.279 -6.193
783 1HD ARG 42 1HD ARG 42 -4.527 7.446 -7.048
784 2HD ARG 42 2HD ARG 42 -4.243 7.374 -5.309
785 HE ARG 42 HE ARG 42 -1.877 6.650 -6.593
786 1HH1 ARG 42 1HH1 ARG 42 -3.931 9.442 -6.234
787 2HH1 ARG 42 2HH1 ARG 42 -2.634 10.577 -6.397
788 1HH2 ARG 42 1HH2 ARG 42 -0.163 8.139 -6.804
789 2HH2 ARG 42 2HH2 ARG 42 -0.492 9.837 -6.722
790 H LEU 43 H LEU 43 -1.463 1.908 -5.607
791 HA LEU 43 HA LEU 43 -0.959 1.091 -2.878
792 1HB LEU 43 1HB LEU 43 0.336 0.545 -5.532
793 2HB LEU 43 2HB LEU 43 1.160 0.122 -4.047
794 HG LEU 43 HG LEU 43 -0.257 -1.660 -5.312
795 1HD1 LEU 43 1HD1 LEU 43 -2.293 -0.272 -5.438
796 2HD1 LEU 43 2HD1 LEU 43 -2.558 -1.820 -4.637
797 3HD1 LEU 43 3HD1 LEU 43 -2.418 -0.345 -3.681
798 1HD2 LEU 43 1HD2 LEU 43 0.836 -1.701 -2.976
799 2HD2 LEU 43 2HD2 LEU 43 -0.815 -1.503 -2.384
800 3HD2 LEU 43 3HD2 LEU 43 -0.395 -2.900 -3.376
801 H ILE 44 H ILE 44 0.298 2.175 -1.476
802 HA ILE 44 HA ILE 44 2.422 3.904 -2.505
803 HB ILE 44 HB ILE 44 0.321 4.873 -0.568
804 1HG1 ILE 44 1HG1 ILE 44 0.977 5.761 -3.387
805 2HG1 ILE 44 2HG1 ILE 44 -0.457 4.862 -2.906
806 1HG2 ILE 44 1HG2 ILE 44 2.725 5.605 -0.182
807 2HG2 ILE 44 2HG2 ILE 44 2.591 6.474 -1.710
808 3HG2 ILE 44 3HG2 ILE 44 1.524 6.883 -0.366
809 1HD1 ILE 44 1HD1 ILE 44 -0.819 6.902 -1.312
810 2HD1 ILE 44 2HD1 ILE 44 0.220 7.719 -2.480
811 3HD1 ILE 44 3HD1 ILE 44 -1.290 6.976 -3.009
812 H PHE 45 H PHE 45 4.190 4.024 -1.225
813 HA PHE 45 HA PHE 45 4.059 2.922 1.490
814 1HB PHE 45 1HB PHE 45 6.119 2.136 -0.588
815 2HB PHE 45 2HB PHE 45 6.138 1.647 1.102
816 HD1 PHE 45 HD1 PHE 45 4.098 1.432 -1.994
817 HD2 PHE 45 HD2 PHE 45 5.073 -0.299 1.769
818 HE1 PHE 45 HE1 PHE 45 2.738 -0.541 -2.553
819 HE2 PHE 45 HE2 PHE 45 3.718 -2.277 1.216
820 HZ PHE 45 HZ PHE 45 2.548 -2.398 -0.948
821 H ALA 46 H ALA 46 5.422 3.916 2.957
822 HA ALA 46 HA ALA 46 7.490 5.716 1.979
823 1HB ALA 46 1HB ALA 46 6.551 7.603 3.384
824 2HB ALA 46 2HB ALA 46 5.044 6.688 3.429
825 3HB ALA 46 3HB ALA 46 5.695 7.240 1.886
826 H GLY 47 H GLY 47 9.158 5.930 3.369
827 1HA GLY 47 1HA GLY 47 10.503 5.461 5.172
828 2HA GLY 47 2HA GLY 47 9.356 4.197 5.593
829 H LYS 48 H LYS 48 10.856 6.524 7.041
830 HA LYS 48 HA LYS 48 8.708 8.079 8.144
831 1HB LYS 48 1HB LYS 48 8.307 5.991 9.327
832 2HB LYS 48 2HB LYS 48 9.987 5.940 9.847
833 1HG LYS 48 1HG LYS 48 9.668 7.948 11.169
834 2HG LYS 48 2HG LYS 48 8.000 8.075 10.604
835 1HD LYS 48 1HD LYS 48 8.052 7.109 12.818
836 2HD LYS 48 2HD LYS 48 7.503 5.907 11.650
837 1HE LYS 48 1HE LYS 48 9.746 4.932 11.597
838 2HE LYS 48 2HE LYS 48 10.298 6.133 12.762
839 1HZ LYS 48 1HZ LYS 48 7.987 4.759 13.698
840 2HZ LYS 48 2HZ LYS 48 9.231 3.672 13.331
841 3HZ LYS 48 3HZ LYS 48 9.504 4.929 14.429
842 H GLN 49 H GLN 49 9.611 9.965 8.224
843 HA GLN 49 HA GLN 49 12.425 10.276 8.867
844 1HB GLN 49 1HB GLN 49 10.262 12.070 7.852
845 2HB GLN 49 2HB GLN 49 11.614 12.805 8.697
846 1HG GLN 49 1HG GLN 49 11.868 11.017 6.296
847 2HG GLN 49 2HG GLN 49 11.877 12.779 6.250
848 1HE2 GLN 49 2HE2 GLN 49 13.850 10.310 5.959
849 2HE2 GLN 49 1HE2 GLN 49 15.289 10.935 6.680
850 H LEU 50 H LEU 50 13.024 10.336 10.924
851 HA LEU 50 HA LEU 50 11.263 10.512 13.085
852 1HB LEU 50 1HB LEU 50 14.231 11.059 13.009
853 2HB LEU 50 2HB LEU 50 13.293 10.861 14.474
854 HG LEU 50 HG LEU 50 14.419 8.808 14.090
855 1HD1 LEU 50 1HD1 LEU 50 11.884 8.821 14.615
856 2HD1 LEU 50 2HD1 LEU 50 11.718 8.175 12.983
857 3HD1 LEU 50 3HD1 LEU 50 12.671 7.304 14.185
858 1HD2 LEU 50 1HD2 LEU 50 14.423 9.471 11.455
859 2HD2 LEU 50 2HD2 LEU 50 14.882 7.895 12.103
860 3HD2 LEU 50 3HD2 LEU 50 13.249 8.156 11.489
861 H GLU 51 H GLU 51 9.967 12.346 12.494
862 HA GLU 51 HA GLU 51 10.930 14.968 12.268
863 1HB GLU 51 1HB GLU 51 8.237 14.029 13.274
864 2HB GLU 51 2HB GLU 51 8.615 15.662 12.741
865 1HG GLU 51 1HG GLU 51 9.081 14.822 10.495
866 2HG GLU 51 2HG GLU 51 8.702 13.186 11.030
No H/Q in entry = 866
Start of MODEL 6
1 H1 GLY -1 H1 GLY -1 1.847 -8.348 -16.612
2 H2 GLY -1 H2 GLY -1 2.037 -7.390 -17.994
3 H3 GLY -1 H3 GLY -1 3.230 -8.512 -17.571
4 1HA GLY -1 1HA GLY -1 3.224 -5.865 -16.928
5 2HA GLY -1 2HA GLY -1 4.248 -7.101 -16.219
6 H SER 0 H SER 0 4.340 -6.578 -14.130
7 HA SER 0 HA SER 0 2.096 -7.017 -12.459
8 1HB SER 0 1HB SER 0 4.786 -5.779 -11.825
9 2HB SER 0 2HB SER 0 3.607 -6.313 -10.628
10 HG SER 0 HG SER 0 5.461 -7.773 -11.530
11 H MET 1 H MET 1 3.417 -4.467 -10.925
12 HA MET 1 HA MET 1 2.075 -2.305 -12.259
13 1HB MET 1 1HB MET 1 0.464 -1.833 -10.479
14 2HB MET 1 2HB MET 1 0.163 -3.411 -11.196
15 1HG MET 1 1HG MET 1 1.246 -4.498 -9.320
16 2HG MET 1 2HG MET 1 1.629 -2.930 -8.611
17 1HE MET 1 1HE MET 1 0.786 -3.736 -6.500
18 2HE MET 1 2HE MET 1 -0.908 -3.840 -6.021
19 3HE MET 1 3HE MET 1 -0.134 -5.207 -6.822
20 H GLN 2 H GLN 2 3.222 -0.535 -11.881
21 HA GLN 2 HA GLN 2 5.374 -0.473 -10.055
22 1HB GLN 2 1HB GLN 2 4.057 1.911 -11.353
23 2HB GLN 2 2HB GLN 2 5.712 1.786 -10.780
24 1HG GLN 2 1HG GLN 2 6.217 0.175 -12.518
25 2HG GLN 2 2HG GLN 2 4.547 0.243 -13.077
26 1HE2 GLN 2 2HE2 GLN 2 5.173 3.284 -12.125
27 2HE2 GLN 2 1HE2 GLN 2 5.736 3.961 -13.608
28 H ILE 3 H ILE 3 5.119 -0.384 -7.904
29 HA ILE 3 HA ILE 3 2.829 0.936 -6.729
30 HB ILE 3 HB ILE 3 3.707 0.187 -4.575
31 1HG1 ILE 3 1HG1 ILE 3 6.012 -0.986 -6.140
32 2HG1 ILE 3 2HG1 ILE 3 6.117 0.441 -5.116
33 1HG2 ILE 3 1HG2 ILE 3 3.735 -1.954 -6.693
34 2HG2 ILE 3 2HG2 ILE 3 3.577 -2.239 -4.960
35 3HG2 ILE 3 3HG2 ILE 3 2.324 -1.348 -5.825
36 1HD1 ILE 3 1HD1 ILE 3 4.976 -1.573 -3.535
37 2HD1 ILE 3 2HD1 ILE 3 6.323 -2.314 -4.402
38 3HD1 ILE 3 3HD1 ILE 3 6.594 -0.879 -3.411
39 H PHE 4 H PHE 4 2.827 2.891 -5.738
40 HA PHE 4 HA PHE 4 5.191 4.542 -6.101
41 1HB PHE 4 1HB PHE 4 2.391 5.212 -5.167
42 2HB PHE 4 2HB PHE 4 3.684 6.394 -5.325
43 HD1 PHE 4 HD1 PHE 4 3.345 7.759 -7.126
44 HD2 PHE 4 HD2 PHE 4 2.433 3.619 -7.495
45 HE1 PHE 4 HE1 PHE 4 2.749 8.105 -9.487
46 HE2 PHE 4 HE2 PHE 4 1.838 3.957 -9.858
47 HZ PHE 4 HZ PHE 4 1.996 6.201 -10.857
48 H VAL 5 H VAL 5 6.520 5.207 -4.501
49 HA VAL 5 HA VAL 5 5.686 4.952 -1.720
50 HB VAL 5 HB VAL 5 8.119 3.513 -2.795
51 1HG1 VAL 5 1HG1 VAL 5 5.446 2.573 -1.828
52 2HG1 VAL 5 2HG1 VAL 5 6.335 2.109 -3.279
53 3HG1 VAL 5 3HG1 VAL 5 6.869 1.539 -1.697
54 1HG2 VAL 5 1HG2 VAL 5 8.421 4.609 -0.570
55 2HG2 VAL 5 2HG2 VAL 5 7.110 3.599 0.042
56 3HG2 VAL 5 3HG2 VAL 5 8.595 2.854 -0.550
57 H LYS 6 H LYS 6 6.378 6.646 -0.604
58 HA LYS 6 HA LYS 6 8.279 8.478 -1.780
59 1HB LYS 6 1HB LYS 6 6.765 8.570 0.838
60 2HB LYS 6 2HB LYS 6 7.762 9.873 0.210
61 1HG LYS 6 1HG LYS 6 6.295 10.225 -1.626
62 2HG LYS 6 2HG LYS 6 5.394 8.753 -1.263
63 1HD LYS 6 1HD LYS 6 4.191 10.772 -0.548
64 2HD LYS 6 2HD LYS 6 4.591 9.723 0.812
65 1HE LYS 6 1HE LYS 6 6.514 11.141 1.339
66 2HE LYS 6 2HE LYS 6 6.105 12.192 -0.015
67 1HZ LYS 6 1HZ LYS 6 3.816 11.960 1.529
68 2HZ LYS 6 2HZ LYS 6 5.088 12.229 2.613
69 3HZ LYS 6 3HZ LYS 6 4.806 13.321 1.353
70 H THR 7 H THR 7 10.405 8.215 -1.520
71 HA THR 7 HA THR 7 11.522 6.429 0.377
72 HB THR 7 HB THR 7 13.715 7.337 -0.328
73 HG1 THR 7 HG1 THR 7 13.742 9.297 -1.101
74 1HG2 THR 7 1HG2 THR 7 12.628 5.571 -1.642
75 2HG2 THR 7 2HG2 THR 7 11.833 6.798 -2.628
76 3HG2 THR 7 3HG2 THR 7 13.590 6.641 -2.663
77 H LEU 8 H LEU 8 13.791 7.897 1.245
78 HA LEU 8 HA LEU 8 12.643 9.167 3.567
79 1HB LEU 8 1HB LEU 8 15.523 8.727 2.782
80 2HB LEU 8 2HB LEU 8 14.976 9.305 4.345
81 HG LEU 8 HG LEU 8 13.603 6.874 3.844
82 1HD1 LEU 8 1HD1 LEU 8 15.749 7.792 5.725
83 2HD1 LEU 8 2HD1 LEU 8 14.048 7.462 6.051
84 3HD1 LEU 8 3HD1 LEU 8 15.162 6.130 5.748
85 1HD2 LEU 8 1HD2 LEU 8 15.600 6.659 2.189
86 2HD2 LEU 8 2HD2 LEU 8 16.538 6.372 3.654
87 3HD2 LEU 8 3HD2 LEU 8 15.190 5.313 3.253
88 H THR 9 H THR 9 14.709 10.111 0.846
89 HA THR 9 HA THR 9 14.930 12.839 1.664
90 HB THR 9 HB THR 9 16.664 11.904 0.271
91 HG1 THR 9 HG1 THR 9 15.810 14.187 -0.045
92 1HG2 THR 9 1HG2 THR 9 14.936 10.390 -0.959
93 2HG2 THR 9 2HG2 THR 9 14.817 11.749 -2.080
94 3HG2 THR 9 3HG2 THR 9 16.369 10.951 -1.821
95 H GLY 10 H GLY 10 12.945 11.135 -0.754
96 1HA GLY 10 1HA GLY 10 11.561 13.600 -1.440
97 2HA GLY 10 2HA GLY 10 10.613 12.434 -0.531
98 H LYS 11 H LYS 11 13.025 11.773 -3.035
99 HA LYS 11 HA LYS 11 11.402 11.502 -5.244
100 1HB LYS 11 1HB LYS 11 13.112 9.977 -6.145
101 2HB LYS 11 2HB LYS 11 13.827 11.394 -5.387
102 1HG LYS 11 1HG LYS 11 14.420 10.122 -3.437
103 2HG LYS 11 2HG LYS 11 13.563 8.707 -4.053
104 1HD LYS 11 1HD LYS 11 15.117 8.575 -5.933
105 2HD LYS 11 2HD LYS 11 15.968 10.003 -5.338
106 1HE LYS 11 1HE LYS 11 16.565 8.808 -3.298
107 2HE LYS 11 2HE LYS 11 15.688 7.388 -3.861
108 1HZ LYS 11 1HZ LYS 11 17.392 7.941 -5.903
109 2HZ LYS 11 2HZ LYS 11 18.324 8.286 -4.535
110 3HZ LYS 11 3HZ LYS 11 17.624 6.756 -4.720
111 H THR 12 H THR 12 10.008 10.027 -6.026
112 HA THR 12 HA THR 12 9.054 7.965 -4.248
113 HB THR 12 HB THR 12 7.451 7.486 -6.141
114 HG1 THR 12 HG1 THR 12 9.062 9.430 -7.310
115 1HG2 THR 12 1HG2 THR 12 7.494 9.559 -4.260
116 2HG2 THR 12 2HG2 THR 12 6.919 10.287 -5.761
117 3HG2 THR 12 3HG2 THR 12 6.086 8.887 -5.083
118 H ILE 13 H ILE 13 9.253 5.794 -4.469
119 HA ILE 13 HA ILE 13 11.202 4.849 -6.432
120 HB ILE 13 HB ILE 13 10.405 2.703 -4.801
121 1HG1 ILE 13 1HG1 ILE 13 10.956 5.200 -3.185
122 2HG1 ILE 13 2HG1 ILE 13 9.441 4.303 -3.225
123 1HG2 ILE 13 1HG2 ILE 13 12.841 4.387 -5.110
124 2HG2 ILE 13 2HG2 ILE 13 12.775 3.159 -3.843
125 3HG2 ILE 13 3HG2 ILE 13 12.572 2.692 -5.531
126 1HD1 ILE 13 1HD1 ILE 13 11.363 2.416 -2.557
127 2HD1 ILE 13 2HD1 ILE 13 11.794 3.858 -1.638
128 3HD1 ILE 13 3HD1 ILE 13 10.181 3.164 -1.482
129 H THR 14 H THR 14 10.651 3.645 -8.112
130 HA THR 14 HA THR 14 7.849 2.836 -8.371
131 HB THR 14 HB THR 14 9.748 2.441 -10.629
132 HG1 THR 14 HG1 THR 14 9.749 4.642 -11.120
133 1HG2 THR 14 1HG2 THR 14 6.898 2.871 -10.161
134 2HG2 THR 14 2HG2 THR 14 7.541 3.839 -11.489
135 3HG2 THR 14 3HG2 THR 14 7.716 2.084 -11.512
136 H LEU 15 H LEU 15 7.254 0.684 -8.502
137 HA LEU 15 HA LEU 15 9.197 -1.380 -8.966
138 1HB LEU 15 1HB LEU 15 9.900 -1.284 -6.807
139 2HB LEU 15 2HB LEU 15 8.401 -0.598 -6.229
140 HG LEU 15 HG LEU 15 7.353 -2.807 -6.265
141 1HD1 LEU 15 1HD1 LEU 15 9.896 -2.400 -4.758
142 2HD1 LEU 15 2HD1 LEU 15 8.229 -2.361 -4.180
143 3HD1 LEU 15 3HD1 LEU 15 8.990 -3.902 -4.578
144 1HD2 LEU 15 1HD2 LEU 15 9.890 -3.563 -7.595
145 2HD2 LEU 15 2HD2 LEU 15 9.138 -4.730 -6.508
146 3HD2 LEU 15 3HD2 LEU 15 8.242 -4.112 -7.894
147 H GLU 16 H GLU 16 8.126 -2.738 -10.207
148 HA GLU 16 HA GLU 16 5.255 -3.024 -10.015
149 1HB GLU 16 1HB GLU 16 5.482 -4.421 -12.022
150 2HB GLU 16 2HB GLU 16 6.290 -2.872 -12.216
151 1HG GLU 16 1HG GLU 16 8.440 -3.940 -11.740
152 2HG GLU 16 2HG GLU 16 7.622 -5.494 -11.573
153 H VAL 17 H VAL 17 4.164 -4.675 -9.147
154 HA VAL 17 HA VAL 17 5.358 -7.260 -8.698
155 HB VAL 17 HB VAL 17 4.750 -7.247 -6.236
156 1HG1 VAL 17 1HG1 VAL 17 7.037 -5.515 -7.162
157 2HG1 VAL 17 2HG1 VAL 17 6.875 -6.199 -5.546
158 3HG1 VAL 17 3HG1 VAL 17 7.061 -7.264 -6.939
159 1HG2 VAL 17 1HG2 VAL 17 4.079 -4.524 -6.933
160 2HG2 VAL 17 2HG2 VAL 17 3.679 -5.450 -5.487
161 3HG2 VAL 17 3HG2 VAL 17 5.218 -4.594 -5.588
162 H GLU 18 H GLU 18 3.850 -8.852 -8.554
163 HA GLU 18 HA GLU 18 1.248 -8.355 -9.454
164 1HB GLU 18 1HB GLU 18 2.254 -10.801 -7.993
165 2HB GLU 18 2HB GLU 18 0.830 -10.714 -9.018
166 1HG GLU 18 1HG GLU 18 2.246 -10.217 -10.943
167 2HG GLU 18 2HG GLU 18 3.672 -10.309 -9.913
168 HA PRO 19 HA PRO 19 -1.020 -7.168 -5.845
169 1HB PRO 19 1HB PRO 19 -3.446 -8.250 -6.476
170 2HB PRO 19 2HB PRO 19 -2.831 -6.755 -7.179
171 1HG PRO 19 1HG PRO 19 -2.786 -9.519 -8.305
172 2HG PRO 19 2HG PRO 19 -3.210 -7.996 -9.103
173 1HD PRO 19 1HD PRO 19 -0.804 -9.105 -9.437
174 2HD PRO 19 2HD PRO 19 -0.984 -7.347 -9.311
175 H SER 20 H SER 20 -1.337 -10.499 -6.991
176 HA SER 20 HA SER 20 -2.395 -11.603 -4.631
177 1HB SER 20 1HB SER 20 -0.701 -12.919 -6.769
178 2HB SER 20 2HB SER 20 -1.654 -13.772 -5.558
179 HG SER 20 HG SER 20 -2.752 -13.573 -7.563
180 H ASP 21 H ASP 21 0.772 -10.594 -5.506
181 HA ASP 21 HA ASP 21 2.325 -12.191 -3.794
182 1HB ASP 21 1HB ASP 21 3.241 -10.729 -5.594
183 2HB ASP 21 2HB ASP 21 2.850 -9.323 -4.610
184 H THR 22 H THR 22 2.765 -12.102 -1.655
185 HA THR 22 HA THR 22 1.021 -10.768 0.091
186 HB THR 22 HB THR 22 2.555 -11.470 1.901
187 HG1 THR 22 HG1 THR 22 4.319 -11.550 -0.139
188 1HG2 THR 22 1HG2 THR 22 0.893 -13.011 0.624
189 2HG2 THR 22 2HG2 THR 22 2.356 -13.774 0.000
190 3HG2 THR 22 3HG2 THR 22 2.058 -13.729 1.738
191 H ILE 23 H ILE 23 1.204 -8.952 1.327
192 HA ILE 23 HA ILE 23 2.546 -6.744 0.331
193 HB ILE 23 HB ILE 23 1.668 -7.170 3.191
194 1HG1 ILE 23 1HG1 ILE 23 0.197 -5.982 0.826
195 2HG1 ILE 23 2HG1 ILE 23 -0.161 -7.524 1.592
196 1HG2 ILE 23 1HG2 ILE 23 3.258 -5.199 2.422
197 2HG2 ILE 23 2HG2 ILE 23 1.727 -4.498 1.899
198 3HG2 ILE 23 3HG2 ILE 23 1.961 -4.946 3.589
199 1HD1 ILE 23 1HD1 ILE 23 -0.257 -4.956 3.128
200 2HD1 ILE 23 2HD1 ILE 23 -1.631 -5.535 2.184
201 3HD1 ILE 23 3HD1 ILE 23 -1.003 -6.509 3.513
202 H GLU 24 H GLU 24 3.530 -8.982 2.889
203 HA GLU 24 HA GLU 24 5.763 -7.638 3.842
204 1HB GLU 24 1HB GLU 24 6.588 -9.853 4.556
205 2HB GLU 24 2HB GLU 24 4.894 -9.611 4.948
206 1HG GLU 24 1HG GLU 24 4.239 -10.960 3.035
207 2HG GLU 24 2HG GLU 24 5.932 -11.178 2.597
208 H ASN 25 H ASN 25 5.463 -9.763 1.029
209 HA ASN 25 HA ASN 25 8.221 -9.880 0.435
210 1HB ASN 25 1HB ASN 25 5.806 -10.274 -1.334
211 2HB ASN 25 2HB ASN 25 7.459 -10.608 -1.836
212 1HD2 ASN 25 2HD2 ASN 25 7.372 -11.294 1.361
213 2HD2 ASN 25 1HD2 ASN 25 7.003 -12.977 1.290
214 H VAL 26 H VAL 26 5.631 -7.835 -0.965
215 HA VAL 26 HA VAL 26 7.301 -6.443 -2.733
216 HB VAL 26 HB VAL 26 5.593 -4.790 -2.959
217 1HG1 VAL 26 1HG1 VAL 26 5.198 -7.381 -3.496
218 2HG1 VAL 26 2HG1 VAL 26 3.829 -7.093 -2.421
219 3HG1 VAL 26 3HG1 VAL 26 4.024 -6.122 -3.882
220 1HG2 VAL 26 1HG2 VAL 26 5.203 -4.371 -0.572
221 2HG2 VAL 26 2HG2 VAL 26 3.704 -4.564 -1.479
222 3HG2 VAL 26 3HG2 VAL 26 4.300 -5.882 -0.470
223 H LYS 27 H LYS 27 6.474 -5.803 0.641
224 HA LYS 27 HA LYS 27 7.713 -3.278 0.845
225 1HB LYS 27 1HB LYS 27 7.260 -5.369 2.983
226 2HB LYS 27 2HB LYS 27 7.685 -3.691 3.280
227 1HG LYS 27 1HG LYS 27 5.598 -2.943 2.346
228 2HG LYS 27 2HG LYS 27 5.180 -4.594 1.880
229 1HD LYS 27 1HD LYS 27 3.992 -4.068 3.890
230 2HD LYS 27 2HD LYS 27 5.263 -5.221 4.294
231 1HE LYS 27 1HE LYS 27 5.169 -3.488 5.974
232 2HE LYS 27 2HE LYS 27 6.676 -3.359 5.066
233 1HZ LYS 27 1HZ LYS 27 4.279 -1.750 4.408
234 2HZ LYS 27 2HZ LYS 27 5.456 -1.221 5.503
235 3HZ LYS 27 3HZ LYS 27 5.871 -1.509 3.889
236 H ALA 28 H ALA 28 8.896 -6.559 1.448
237 HA ALA 28 HA ALA 28 11.411 -5.920 2.468
238 1HB ALA 28 1HB ALA 28 11.843 -8.251 1.080
239 2HB ALA 28 2HB ALA 28 11.223 -8.131 2.726
240 3HB ALA 28 3HB ALA 28 10.104 -8.281 1.371
241 H LYS 29 H LYS 29 10.340 -6.353 -0.876
242 HA LYS 29 HA LYS 29 12.868 -6.139 -2.090
243 1HB LYS 29 1HB LYS 29 10.883 -7.012 -3.251
244 2HB LYS 29 2HB LYS 29 10.149 -5.416 -3.206
245 1HG LYS 29 1HG LYS 29 11.848 -4.535 -4.658
246 2HG LYS 29 2HG LYS 29 12.726 -6.065 -4.616
247 1HD LYS 29 1HD LYS 29 9.948 -5.673 -5.723
248 2HD LYS 29 2HD LYS 29 11.421 -5.802 -6.683
249 1HE LYS 29 1HE LYS 29 11.794 -8.056 -5.816
250 2HE LYS 29 2HE LYS 29 10.325 -7.929 -4.848
251 1HZ LYS 29 1HZ LYS 29 9.087 -7.624 -6.954
252 2HZ LYS 29 2HZ LYS 29 10.510 -7.939 -7.809
253 3HZ LYS 29 3HZ LYS 29 9.831 -9.136 -6.827
254 H ILE 30 H ILE 30 10.519 -3.710 -1.082
255 HA ILE 30 HA ILE 30 11.580 -1.484 -2.376
256 HB ILE 30 HB ILE 30 10.387 -1.533 0.400
257 1HG1 ILE 30 1HG1 ILE 30 9.053 -1.109 -2.285
258 2HG1 ILE 30 2HG1 ILE 30 8.916 -2.561 -1.302
259 1HG2 ILE 30 1HG2 ILE 30 11.109 0.640 -1.511
260 2HG2 ILE 30 2HG2 ILE 30 9.694 0.845 -0.478
261 3HG2 ILE 30 3HG2 ILE 30 11.279 0.577 0.244
262 1HD1 ILE 30 1HD1 ILE 30 8.051 -0.885 0.509
263 2HD1 ILE 30 2HD1 ILE 30 7.707 0.121 -0.898
264 3HD1 ILE 30 3HD1 ILE 30 6.981 -1.481 -0.761
265 H GLN 31 H GLN 31 12.579 -3.125 0.573
266 HA GLN 31 HA GLN 31 14.442 -1.256 1.514
267 1HB GLN 31 1HB GLN 31 14.582 -4.277 1.693
268 2HB GLN 31 2HB GLN 31 15.472 -3.143 2.700
269 1HG GLN 31 1HG GLN 31 13.377 -2.330 3.646
270 2HG GLN 31 2HG GLN 31 12.479 -3.453 2.628
271 1HE2 GLN 31 2HE2 GLN 31 11.845 -5.208 3.637
272 2HE2 GLN 31 1HE2 GLN 31 12.654 -5.986 4.948
273 H ASP 32 H ASP 32 14.629 -3.856 -0.836
274 HA ASP 32 HA ASP 32 17.388 -3.705 -1.352
275 1HB ASP 32 1HB ASP 32 15.954 -5.612 -2.033
276 2HB ASP 32 2HB ASP 32 15.180 -4.576 -3.228
277 H LYS 33 H LYS 33 14.579 -2.072 -2.704
278 HA LYS 33 HA LYS 33 15.841 -0.735 -4.823
279 1HB LYS 33 1HB LYS 33 13.406 -0.023 -3.187
280 2HB LYS 33 2HB LYS 33 13.921 0.899 -4.592
281 1HG LYS 33 1HG LYS 33 13.148 -2.008 -4.594
282 2HG LYS 33 2HG LYS 33 12.136 -0.666 -5.128
283 1HD LYS 33 1HD LYS 33 14.827 -1.257 -6.336
284 2HD LYS 33 2HD LYS 33 13.331 -1.963 -6.945
285 1HE LYS 33 1HE LYS 33 13.839 -0.038 -8.269
286 2HE LYS 33 2HE LYS 33 12.443 0.339 -7.262
287 1HZ LYS 33 1HZ LYS 33 15.184 1.073 -6.438
288 2HZ LYS 33 2HZ LYS 33 14.262 2.077 -7.442
289 3HZ LYS 33 3HZ LYS 33 13.714 1.702 -5.886
290 H GLU 34 H GLU 34 15.414 0.119 -1.427
291 HA GLU 34 HA GLU 34 17.411 2.246 -1.794
292 1HB GLU 34 1HB GLU 34 15.097 3.191 -1.583
293 2HB GLU 34 2HB GLU 34 14.998 2.468 0.017
294 1HG GLU 34 1HG GLU 34 15.552 4.784 0.233
295 2HG GLU 34 2HG GLU 34 16.943 3.813 0.711
296 H GLY 35 H GLY 35 15.719 1.463 1.195
297 1HA GLY 35 1HA GLY 35 18.256 0.902 2.470
298 2HA GLY 35 2HA GLY 35 17.191 -0.486 2.342
299 H ILE 36 H ILE 36 14.723 0.677 2.822
300 HA ILE 36 HA ILE 36 15.046 1.609 5.588
301 HB ILE 36 HB ILE 36 12.537 2.454 4.928
302 1HG1 ILE 36 1HG1 ILE 36 12.836 3.771 2.815
303 2HG1 ILE 36 2HG1 ILE 36 14.328 2.888 2.527
304 1HG2 ILE 36 1HG2 ILE 36 15.148 3.645 5.401
305 2HG2 ILE 36 2HG2 ILE 36 14.072 4.678 4.459
306 3HG2 ILE 36 3HG2 ILE 36 13.562 4.084 6.040
307 1HD1 ILE 36 1HD1 ILE 36 12.088 1.121 3.009
308 2HD1 ILE 36 2HD1 ILE 36 11.822 2.202 1.641
309 3HD1 ILE 36 3HD1 ILE 36 13.242 1.156 1.676
310 HA PRO 37 HA PRO 37 13.105 -2.170 6.896
311 1HB PRO 37 1HB PRO 37 12.014 -0.186 8.860
312 2HB PRO 37 2HB PRO 37 12.651 -1.810 9.154
313 1HG PRO 37 1HG PRO 37 14.156 0.315 9.645
314 2HG PRO 37 2HG PRO 37 14.863 -1.119 8.882
315 1HD PRO 37 1HD PRO 37 14.180 1.515 7.690
316 2HD PRO 37 2HD PRO 37 15.453 0.367 7.240
317 HA PRO 38 HA PRO 38 9.089 -1.860 4.996
318 1HB PRO 38 1HB PRO 38 7.982 -4.113 6.118
319 2HB PRO 38 2HB PRO 38 9.064 -4.131 4.724
320 1HG PRO 38 1HG PRO 38 9.676 -4.643 7.607
321 2HG PRO 38 2HG PRO 38 10.261 -5.499 6.170
322 1HD PRO 38 1HD PRO 38 11.787 -3.702 7.454
323 2HD PRO 38 2HD PRO 38 11.839 -3.873 5.688
324 H ASP 39 H ASP 39 9.419 -2.418 8.471
325 HA ASP 39 HA ASP 39 6.798 -1.917 9.268
326 1HB ASP 39 1HB ASP 39 9.368 -1.276 10.735
327 2HB ASP 39 2HB ASP 39 7.769 -1.333 11.468
328 H GLN 40 H GLN 40 9.459 0.275 8.570
329 HA GLN 40 HA GLN 40 8.256 2.646 9.475
330 1HB GLN 40 1HB GLN 40 10.302 2.208 7.294
331 2HB GLN 40 2HB GLN 40 9.891 3.774 7.980
332 1HG GLN 40 1HG GLN 40 10.840 3.243 10.050
333 2HG GLN 40 2HG GLN 40 10.884 1.520 9.684
334 1HE2 GLN 40 2HE2 GLN 40 11.765 2.794 6.886
335 2HE2 GLN 40 1HE2 GLN 40 13.478 2.886 7.084
336 H GLN 41 H GLN 41 8.193 0.970 6.384
337 HA GLN 41 HA GLN 41 6.985 2.852 4.762
338 1HB GLN 41 1HB GLN 41 6.295 -0.081 4.693
339 2HB GLN 41 2HB GLN 41 6.340 1.050 3.348
340 1HG GLN 41 1HG GLN 41 8.731 0.115 4.918
341 2HG GLN 41 2HG GLN 41 8.232 -0.503 3.344
342 1HE2 GLN 41 2HE2 GLN 41 9.340 0.276 1.735
343 2HE2 GLN 41 1HE2 GLN 41 10.049 1.847 1.639
344 H ARG 42 H ARG 42 4.984 3.699 4.586
345 HA ARG 42 HA ARG 42 2.938 2.675 6.396
346 1HB ARG 42 1HB ARG 42 3.602 4.989 6.820
347 2HB ARG 42 2HB ARG 42 3.204 5.413 5.161
348 1HG ARG 42 1HG ARG 42 1.456 6.129 6.672
349 2HG ARG 42 2HG ARG 42 0.857 4.874 5.588
350 1HD ARG 42 1HD ARG 42 0.076 4.504 7.866
351 2HD ARG 42 2HD ARG 42 1.150 3.206 7.346
352 HE ARG 42 HE ARG 42 2.676 5.138 8.675
353 1HH1 ARG 42 1HH1 ARG 42 0.192 2.789 9.353
354 2HH1 ARG 42 2HH1 ARG 42 0.693 2.543 10.992
355 1HH2 ARG 42 1HH2 ARG 42 3.341 4.821 10.831
356 2HH2 ARG 42 2HH2 ARG 42 2.482 3.699 11.833
357 H LEU 43 H LEU 43 1.307 1.572 5.523
358 HA LEU 43 HA LEU 43 0.932 1.361 2.722
359 1HB LEU 43 1HB LEU 43 -0.588 0.413 5.117
360 2HB LEU 43 2HB LEU 43 -1.322 0.296 3.530
361 HG LEU 43 HG LEU 43 0.552 -1.091 2.764
362 1HD1 LEU 43 1HD1 LEU 43 1.522 -0.767 5.595
363 2HD1 LEU 43 2HD1 LEU 43 2.120 -1.997 4.480
364 3HD1 LEU 43 3HD1 LEU 43 2.350 -0.286 4.114
365 1HD2 LEU 43 1HD2 LEU 43 -0.813 -2.043 5.271
366 2HD2 LEU 43 2HD2 LEU 43 -1.388 -2.216 3.612
367 3HD2 LEU 43 3HD2 LEU 43 0.053 -3.084 4.142
368 H ILE 44 H ILE 44 -0.193 2.566 1.361
369 HA ILE 44 HA ILE 44 -2.433 4.164 2.332
370 HB ILE 44 HB ILE 44 -0.141 5.359 0.775
371 1HG1 ILE 44 1HG1 ILE 44 -1.136 5.942 3.573
372 2HG1 ILE 44 2HG1 ILE 44 0.313 5.019 3.188
373 1HG2 ILE 44 1HG2 ILE 44 -2.323 6.226 0.073
374 2HG2 ILE 44 2HG2 ILE 44 -2.696 6.631 1.749
375 3HG2 ILE 44 3HG2 ILE 44 -1.376 7.453 0.916
376 1HD1 ILE 44 1HD1 ILE 44 0.272 7.626 1.919
377 2HD1 ILE 44 2HD1 ILE 44 0.193 7.706 3.679
378 3HD1 ILE 44 3HD1 ILE 44 1.522 6.851 2.893
379 H PHE 45 H PHE 45 -4.102 3.897 1.020
380 HA PHE 45 HA PHE 45 -3.593 3.282 -1.815
381 1HB PHE 45 1HB PHE 45 -5.726 2.157 0.010
382 2HB PHE 45 2HB PHE 45 -5.739 1.961 -1.739
383 HD1 PHE 45 HD1 PHE 45 -5.066 -0.091 -2.461
384 HD2 PHE 45 HD2 PHE 45 -3.236 1.544 1.017
385 HE1 PHE 45 HE1 PHE 45 -3.681 -2.112 -2.244
386 HE2 PHE 45 HE2 PHE 45 -1.845 -0.472 1.236
387 HZ PHE 45 HZ PHE 45 -2.066 -2.304 -0.395
388 H ALA 46 H ALA 46 -5.047 4.171 -3.353
389 HA ALA 46 HA ALA 46 -7.101 5.994 -2.364
390 1HB ALA 46 1HB ALA 46 -5.666 7.720 -2.430
391 2HB ALA 46 2HB ALA 46 -4.534 6.875 -3.486
392 3HB ALA 46 3HB ALA 46 -5.960 7.655 -4.167
393 H GLY 47 H GLY 47 -8.835 6.013 -3.629
394 1HA GLY 47 1HA GLY 47 -10.166 5.022 -5.301
395 2HA GLY 47 2HA GLY 47 -8.707 4.598 -6.182
396 H LYS 48 H LYS 48 -9.065 5.493 -8.133
397 HA LYS 48 HA LYS 48 -10.286 8.055 -8.476
398 1HB LYS 48 1HB LYS 48 -8.350 9.191 -9.493
399 2HB LYS 48 2HB LYS 48 -8.109 8.866 -7.785
400 1HG LYS 48 1HG LYS 48 -7.013 7.084 -9.940
401 2HG LYS 48 2HG LYS 48 -6.134 8.473 -9.301
402 1HD LYS 48 1HD LYS 48 -7.149 6.164 -7.649
403 2HD LYS 48 2HD LYS 48 -5.493 6.342 -8.225
404 1HE LYS 48 1HE LYS 48 -6.946 8.237 -6.386
405 2HE LYS 48 2HE LYS 48 -5.703 7.083 -5.911
406 1HZ LYS 48 1HZ LYS 48 -4.306 8.342 -7.674
407 2HZ LYS 48 2HZ LYS 48 -5.428 9.584 -7.428
408 3HZ LYS 48 3HZ LYS 48 -4.506 9.009 -6.133
409 H GLN 49 H GLN 49 -11.542 6.464 -9.617
410 HA GLN 49 HA GLN 49 -10.537 5.288 -12.002
411 1HB GLN 49 1HB GLN 49 -12.497 4.333 -10.988
412 2HB GLN 49 2HB GLN 49 -13.339 5.874 -11.036
413 1HG GLN 49 1HG GLN 49 -14.189 4.428 -12.750
414 2HG GLN 49 2HG GLN 49 -13.332 5.785 -13.480
415 1HE2 GLN 49 2HE2 GLN 49 -13.817 2.571 -13.713
416 2HE2 GLN 49 1HE2 GLN 49 -12.356 2.102 -14.504
417 H LEU 50 H LEU 50 -9.698 6.596 -13.482
418 HA LEU 50 HA LEU 50 -10.080 9.245 -13.928
419 1HB LEU 50 1HB LEU 50 -9.437 7.049 -15.878
420 2HB LEU 50 2HB LEU 50 -9.466 8.730 -16.362
421 HG LEU 50 HG LEU 50 -7.186 7.926 -15.879
422 1HD1 LEU 50 1HD1 LEU 50 -8.308 7.465 -13.127
423 2HD1 LEU 50 2HD1 LEU 50 -7.510 6.303 -14.190
424 3HD1 LEU 50 3HD1 LEU 50 -6.582 7.612 -13.460
425 1HD2 LEU 50 1HD2 LEU 50 -8.359 10.293 -15.059
426 2HD2 LEU 50 2HD2 LEU 50 -7.419 9.765 -13.665
427 3HD2 LEU 50 3HD2 LEU 50 -6.633 9.973 -15.228
428 H GLU 51 H GLU 51 -12.340 9.621 -13.523
429 HA GLU 51 HA GLU 51 -14.417 8.665 -15.161
430 1HB GLU 51 1HB GLU 51 -14.247 11.270 -13.633
431 2HB GLU 51 2HB GLU 51 -15.721 10.576 -14.290
432 1HG GLU 51 1HG GLU 51 -15.462 8.638 -12.827
433 2HG GLU 51 2HG GLU 51 -13.984 9.334 -12.170
434 H1 GLY -1 H1 GLY -1 -1.935 -8.211 16.715
435 H2 GLY -1 H2 GLY -1 -2.143 -7.240 18.086
436 H3 GLY -1 H3 GLY -1 -3.309 -8.397 17.684
437 1HA GLY -1 1HA GLY -1 -3.389 -5.764 17.014
438 2HA GLY -1 2HA GLY -1 -4.361 -7.038 16.299
439 H SER 0 H SER 0 -4.450 -6.538 14.205
440 HA SER 0 HA SER 0 -2.169 -6.891 12.563
441 1HB SER 0 1HB SER 0 -4.901 -5.775 11.883
442 2HB SER 0 2HB SER 0 -3.686 -6.278 10.708
443 HG SER 0 HG SER 0 -5.495 -7.797 11.603
444 H MET 1 H MET 1 -3.606 -4.413 11.008
445 HA MET 1 HA MET 1 -2.424 -2.166 12.330
446 1HB MET 1 1HB MET 1 -0.752 -1.647 10.611
447 2HB MET 1 2HB MET 1 -0.398 -3.180 11.396
448 1HG MET 1 1HG MET 1 -1.313 -4.392 9.510
449 2HG MET 1 2HG MET 1 -1.759 -2.877 8.729
450 1HE MET 1 1HE MET 1 -0.776 -3.611 6.673
451 2HE MET 1 2HE MET 1 0.945 -3.674 6.281
452 3HE MET 1 3HE MET 1 0.167 -5.050 7.065
453 H GLN 2 H GLN 2 -3.913 -0.650 11.955
454 HA GLN 2 HA GLN 2 -5.756 -0.763 9.827
455 1HB GLN 2 1HB GLN 2 -6.407 1.522 10.567
456 2HB GLN 2 2HB GLN 2 -6.367 0.346 11.871
457 1HG GLN 2 1HG GLN 2 -4.113 1.201 12.476
458 2HG GLN 2 2HG GLN 2 -4.328 2.466 11.264
459 1HE2 GLN 2 2HE2 GLN 2 -4.946 4.320 12.089
460 2HE2 GLN 2 1HE2 GLN 2 -5.953 4.541 13.473
461 H ILE 3 H ILE 3 -5.239 -0.507 7.789
462 HA ILE 3 HA ILE 3 -2.983 1.012 6.908
463 HB ILE 3 HB ILE 3 -3.723 0.393 4.644
464 1HG1 ILE 3 1HG1 ILE 3 -6.050 -0.936 6.040
465 2HG1 ILE 3 2HG1 ILE 3 -6.156 0.516 5.052
466 1HG2 ILE 3 1HG2 ILE 3 -3.701 -1.831 6.669
467 2HG2 ILE 3 2HG2 ILE 3 -3.559 -2.072 4.927
468 3HG2 ILE 3 3HG2 ILE 3 -2.323 -1.162 5.796
469 1HD1 ILE 3 1HD1 ILE 3 -4.863 -1.426 3.487
470 2HD1 ILE 3 2HD1 ILE 3 -6.246 -2.213 4.250
471 3HD1 ILE 3 3HD1 ILE 3 -6.484 -0.758 3.282
472 H PHE 4 H PHE 4 -2.949 2.968 5.873
473 HA PHE 4 HA PHE 4 -5.300 4.636 6.222
474 1HB PHE 4 1HB PHE 4 -2.484 5.285 5.314
475 2HB PHE 4 2HB PHE 4 -3.766 6.478 5.472
476 HD1 PHE 4 HD1 PHE 4 -3.443 7.830 7.277
477 HD2 PHE 4 HD2 PHE 4 -2.527 3.689 7.636
478 HE1 PHE 4 HE1 PHE 4 -2.842 8.172 9.637
479 HE2 PHE 4 HE2 PHE 4 -1.927 4.023 9.999
480 HZ PHE 4 HZ PHE 4 -2.084 6.268 11.002
481 H VAL 5 H VAL 5 -6.627 5.260 4.587
482 HA VAL 5 HA VAL 5 -5.725 5.056 1.818
483 HB VAL 5 HB VAL 5 -8.136 3.547 2.847
484 1HG1 VAL 5 1HG1 VAL 5 -5.439 2.690 1.872
485 2HG1 VAL 5 2HG1 VAL 5 -6.313 2.191 3.320
486 3HG1 VAL 5 3HG1 VAL 5 -6.834 1.620 1.736
487 1HG2 VAL 5 1HG2 VAL 5 -8.440 4.671 0.621
488 2HG2 VAL 5 2HG2 VAL 5 -7.132 3.658 0.012
489 3HG2 VAL 5 3HG2 VAL 5 -8.616 2.915 0.608
490 H LYS 6 H LYS 6 -6.413 6.791 0.731
491 HA LYS 6 HA LYS 6 -8.423 8.511 1.899
492 1HB LYS 6 1HB LYS 6 -6.888 8.799 -0.690
493 2HB LYS 6 2HB LYS 6 -7.906 10.032 0.035
494 1HG LYS 6 1HG LYS 6 -6.374 9.923 2.046
495 2HG LYS 6 2HG LYS 6 -5.288 8.963 1.038
496 1HD LYS 6 1HD LYS 6 -6.253 11.764 0.470
497 2HD LYS 6 2HD LYS 6 -4.632 11.301 0.989
498 1HE LYS 6 1HE LYS 6 -4.331 10.030 -1.074
499 2HE LYS 6 2HE LYS 6 -5.957 10.476 -1.591
500 1HZ LYS 6 1HZ LYS 6 -4.874 12.873 -1.091
501 2HZ LYS 6 2HZ LYS 6 -3.516 12.025 -1.637
502 3HZ LYS 6 3HZ LYS 6 -4.890 12.139 -2.616
503 H THR 7 H THR 7 -10.525 8.332 1.487
504 HA THR 7 HA THR 7 -11.530 6.522 -0.466
505 HB THR 7 HB THR 7 -13.760 7.384 0.159
506 HG1 THR 7 HG1 THR 7 -13.848 9.352 0.912
507 1HG2 THR 7 1HG2 THR 7 -12.723 5.643 1.528
508 2HG2 THR 7 2HG2 THR 7 -11.940 6.878 2.515
509 3HG2 THR 7 3HG2 THR 7 -13.697 6.727 2.521
510 H LEU 8 H LEU 8 -13.762 7.981 -1.458
511 HA LEU 8 HA LEU 8 -12.466 9.316 -3.666
512 1HB LEU 8 1HB LEU 8 -15.368 8.716 -3.097
513 2HB LEU 8 2HB LEU 8 -14.814 9.548 -4.536
514 HG LEU 8 HG LEU 8 -13.419 7.503 -5.058
515 1HD1 LEU 8 1HD1 LEU 8 -16.365 7.704 -5.119
516 2HD1 LEU 8 2HD1 LEU 8 -15.210 7.531 -6.440
517 3HD1 LEU 8 3HD1 LEU 8 -15.669 6.125 -5.480
518 1HD2 LEU 8 1HD2 LEU 8 -13.851 6.735 -2.540
519 2HD2 LEU 8 2HD2 LEU 8 -15.180 5.884 -3.325
520 3HD2 LEU 8 3HD2 LEU 8 -13.519 5.601 -3.848
521 H THR 9 H THR 9 -14.669 10.175 -1.033
522 HA THR 9 HA THR 9 -14.916 12.908 -1.801
523 HB THR 9 HB THR 9 -16.644 11.929 -0.432
524 HG1 THR 9 HG1 THR 9 -15.802 14.223 -0.084
525 1HG2 THR 9 1HG2 THR 9 -14.918 10.421 0.794
526 2HG2 THR 9 2HG2 THR 9 -14.797 11.772 1.921
527 3HG2 THR 9 3HG2 THR 9 -16.348 10.975 1.665
528 H GLY 10 H GLY 10 -12.920 11.207 0.610
529 1HA GLY 10 1HA GLY 10 -11.577 13.694 1.313
530 2HA GLY 10 2HA GLY 10 -10.606 12.524 0.435
531 H LYS 11 H LYS 11 -13.062 11.872 2.891
532 HA LYS 11 HA LYS 11 -11.492 11.642 5.140
533 1HB LYS 11 1HB LYS 11 -13.201 10.099 6.015
534 2HB LYS 11 2HB LYS 11 -13.914 11.506 5.236
535 1HG LYS 11 1HG LYS 11 -14.562 10.257 3.344
536 2HG LYS 11 2HG LYS 11 -13.554 8.886 3.812
537 1HD LYS 11 1HD LYS 11 -14.972 8.412 5.692
538 2HD LYS 11 2HD LYS 11 -15.921 9.874 5.398
539 1HE LYS 11 1HE LYS 11 -16.631 8.953 3.233
540 2HE LYS 11 2HE LYS 11 -15.709 7.489 3.562
541 1HZ LYS 11 1HZ LYS 11 -17.330 7.875 5.760
542 2HZ LYS 11 2HZ LYS 11 -18.317 8.183 4.422
543 3HZ LYS 11 3HZ LYS 11 -17.509 6.702 4.555
544 H THR 12 H THR 12 -10.107 10.197 5.976
545 HA THR 12 HA THR 12 -9.139 8.079 4.269
546 HB THR 12 HB THR 12 -7.576 7.641 6.214
547 HG1 THR 12 HG1 THR 12 -9.193 9.559 7.305
548 1HG2 THR 12 1HG2 THR 12 -7.541 9.613 4.215
549 2HG2 THR 12 2HG2 THR 12 -6.916 10.380 5.676
550 3HG2 THR 12 3HG2 THR 12 -6.163 8.909 5.061
551 H ILE 13 H ILE 13 -9.249 5.904 4.655
552 HA ILE 13 HA ILE 13 -11.112 5.080 6.776
553 HB ILE 13 HB ILE 13 -11.448 3.025 5.305
554 1HG1 ILE 13 1HG1 ILE 13 -10.328 4.899 3.210
555 2HG1 ILE 13 2HG1 ILE 13 -9.495 3.476 3.830
556 1HG2 ILE 13 1HG2 ILE 13 -12.505 5.750 4.971
557 2HG2 ILE 13 2HG2 ILE 13 -12.859 4.622 3.658
558 3HG2 ILE 13 3HG2 ILE 13 -13.342 4.232 5.308
559 1HD1 ILE 13 1HD1 ILE 13 -11.549 2.175 3.045
560 2HD1 ILE 13 2HD1 ILE 13 -11.936 3.621 2.114
561 3HD1 ILE 13 3HD1 ILE 13 -10.420 2.767 1.827
562 H THR 14 H THR 14 -10.301 3.904 8.334
563 HA THR 14 HA THR 14 -7.638 2.782 8.085
564 HB THR 14 HB THR 14 -8.255 2.066 10.558
565 HG1 THR 14 HG1 THR 14 -9.647 4.339 10.885
566 1HG2 THR 14 1HG2 THR 14 -6.703 3.976 9.466
567 2HG2 THR 14 2HG2 THR 14 -7.849 4.982 10.356
568 3HG2 THR 14 3HG2 THR 14 -6.905 3.758 11.205
569 H LEU 15 H LEU 15 -7.135 0.589 8.426
570 HA LEU 15 HA LEU 15 -9.207 -1.369 8.781
571 1HB LEU 15 1HB LEU 15 -9.536 -0.703 6.439
572 2HB LEU 15 2HB LEU 15 -7.861 -1.065 6.093
573 HG LEU 15 HG LEU 15 -9.854 -3.151 6.966
574 1HD1 LEU 15 1HD1 LEU 15 -9.012 -2.243 4.222
575 2HD1 LEU 15 2HD1 LEU 15 -9.784 -3.797 4.537
576 3HD1 LEU 15 3HD1 LEU 15 -10.644 -2.297 4.889
577 1HD2 LEU 15 1HD2 LEU 15 -6.995 -3.130 6.236
578 2HD2 LEU 15 2HD2 LEU 15 -7.890 -4.211 7.307
579 3HD2 LEU 15 3HD2 LEU 15 -7.971 -4.437 5.559
580 H GLU 16 H GLU 16 -8.183 -2.708 10.139
581 HA GLU 16 HA GLU 16 -5.327 -3.072 10.021
582 1HB GLU 16 1HB GLU 16 -5.673 -4.506 12.015
583 2HB GLU 16 2HB GLU 16 -6.347 -2.893 12.195
584 1HG GLU 16 1HG GLU 16 -8.573 -3.758 11.719
585 2HG GLU 16 2HG GLU 16 -7.904 -5.376 11.512
586 H VAL 17 H VAL 17 -4.230 -4.719 9.211
587 HA VAL 17 HA VAL 17 -5.371 -7.317 8.774
588 HB VAL 17 HB VAL 17 -4.664 -7.280 6.294
589 1HG1 VAL 17 1HG1 VAL 17 -7.164 -5.873 7.220
590 2HG1 VAL 17 2HG1 VAL 17 -6.905 -6.509 5.595
591 3HG1 VAL 17 3HG1 VAL 17 -6.956 -7.608 6.975
592 1HG2 VAL 17 1HG2 VAL 17 -4.317 -4.513 7.007
593 2HG2 VAL 17 2HG2 VAL 17 -3.863 -5.358 5.528
594 3HG2 VAL 17 3HG2 VAL 17 -5.485 -4.683 5.696
595 H GLU 18 H GLU 18 -3.837 -8.875 8.657
596 HA GLU 18 HA GLU 18 -1.257 -8.325 9.571
597 1HB GLU 18 1HB GLU 18 -2.191 -10.791 8.100
598 2HB GLU 18 2HB GLU 18 -0.793 -10.675 9.159
599 1HG GLU 18 1HG GLU 18 -2.259 -10.202 11.050
600 2HG GLU 18 2HG GLU 18 -3.662 -10.308 9.989
601 HA PRO 19 HA PRO 19 1.031 -7.052 6.004
602 1HB PRO 19 1HB PRO 19 3.456 -8.159 6.667
603 2HB PRO 19 2HB PRO 19 2.851 -6.643 7.325
604 1HG PRO 19 1HG PRO 19 2.770 -9.398 8.492
605 2HG PRO 19 2HG PRO 19 3.188 -7.865 9.272
606 1HD PRO 19 1HD PRO 19 0.775 -8.946 9.612
607 2HD PRO 19 2HD PRO 19 0.965 -7.193 9.413
608 H SER 20 H SER 20 1.336 -10.400 7.098
609 HA SER 20 HA SER 20 2.417 -11.455 4.726
610 1HB SER 20 1HB SER 20 0.711 -12.839 6.809
611 2HB SER 20 2HB SER 20 1.726 -13.637 5.610
612 HG SER 20 HG SER 20 2.733 -13.425 7.682
613 H ASP 21 H ASP 21 -0.808 -10.576 5.639
614 HA ASP 21 HA ASP 21 -2.322 -12.129 3.889
615 1HB ASP 21 1HB ASP 21 -3.260 -10.666 5.670
616 2HB ASP 21 2HB ASP 21 -2.851 -9.260 4.694
617 H THR 22 H THR 22 -2.755 -12.047 1.748
618 HA THR 22 HA THR 22 -0.997 -10.730 0.004
619 HB THR 22 HB THR 22 -2.528 -11.437 -1.809
620 HG1 THR 22 HG1 THR 22 -4.301 -11.489 0.213
621 1HG2 THR 22 1HG2 THR 22 -0.865 -12.969 -0.518
622 2HG2 THR 22 2HG2 THR 22 -2.330 -13.734 0.098
623 3HG2 THR 22 3HG2 THR 22 -2.021 -13.691 -1.638
624 H ILE 23 H ILE 23 -1.178 -8.931 -1.263
625 HA ILE 23 HA ILE 23 -2.521 -6.712 -0.286
626 HB ILE 23 HB ILE 23 -1.606 -7.161 -3.131
627 1HG1 ILE 23 1HG1 ILE 23 -0.179 -5.936 -0.759
628 2HG1 ILE 23 2HG1 ILE 23 0.200 -7.484 -1.503
629 1HG2 ILE 23 1HG2 ILE 23 -3.222 -5.192 -2.408
630 2HG2 ILE 23 2HG2 ILE 23 -1.702 -4.474 -1.873
631 3HG2 ILE 23 3HG2 ILE 23 -1.910 -4.943 -3.561
632 1HD1 ILE 23 1HD1 ILE 23 0.307 -4.924 -3.055
633 2HD1 ILE 23 2HD1 ILE 23 1.671 -5.499 -2.095
634 3HD1 ILE 23 3HD1 ILE 23 1.058 -6.477 -3.428
635 H GLU 24 H GLU 24 -3.494 -8.981 -2.822
636 HA GLU 24 HA GLU 24 -5.708 -7.634 -3.815
637 1HB GLU 24 1HB GLU 24 -6.542 -9.838 -4.521
638 2HB GLU 24 2HB GLU 24 -4.832 -9.638 -4.876
639 1HG GLU 24 1HG GLU 24 -4.257 -10.976 -2.928
640 2HG GLU 24 2HG GLU 24 -5.966 -11.147 -2.529
641 H ASN 25 H ASN 25 -5.508 -9.837 -1.031
642 HA ASN 25 HA ASN 25 -8.265 -9.822 -0.427
643 1HB ASN 25 1HB ASN 25 -5.883 -10.287 1.380
644 2HB ASN 25 2HB ASN 25 -7.553 -10.612 1.825
645 1HD2 ASN 25 2HD2 ASN 25 -7.378 -11.269 -1.371
646 2HD2 ASN 25 1HD2 ASN 25 -7.021 -12.955 -1.306
647 H VAL 26 H VAL 26 -5.562 -7.907 0.839
648 HA VAL 26 HA VAL 26 -6.953 -6.376 2.702
649 HB VAL 26 HB VAL 26 -4.505 -5.794 1.055
650 1HG1 VAL 26 1HG1 VAL 26 -5.042 -7.158 3.513
651 2HG1 VAL 26 2HG1 VAL 26 -3.526 -7.011 2.625
652 3HG1 VAL 26 3HG1 VAL 26 -3.975 -5.785 3.812
653 1HG2 VAL 26 1HG2 VAL 26 -6.118 -3.877 2.445
654 2HG2 VAL 26 2HG2 VAL 26 -4.539 -4.018 3.216
655 3HG2 VAL 26 3HG2 VAL 26 -4.651 -3.633 1.499
656 H LYS 27 H LYS 27 -6.385 -5.762 -0.741
657 HA LYS 27 HA LYS 27 -7.660 -3.244 -0.834
658 1HB LYS 27 1HB LYS 27 -7.250 -5.253 -3.055
659 2HB LYS 27 2HB LYS 27 -7.637 -3.552 -3.267
660 1HG LYS 27 1HG LYS 27 -5.524 -2.893 -2.350
661 2HG LYS 27 2HG LYS 27 -5.145 -4.561 -1.915
662 1HD LYS 27 1HD LYS 27 -3.945 -4.022 -3.915
663 2HD LYS 27 2HD LYS 27 -5.239 -5.143 -4.336
664 1HE LYS 27 1HE LYS 27 -5.100 -3.377 -5.985
665 2HE LYS 27 2HE LYS 27 -6.612 -3.251 -5.087
666 1HZ LYS 27 1HZ LYS 27 -4.208 -1.680 -4.373
667 2HZ LYS 27 2HZ LYS 27 -5.368 -1.118 -5.469
668 3HZ LYS 27 3HZ LYS 27 -5.801 -1.434 -3.865
669 H ALA 28 H ALA 28 -8.812 -6.532 -1.422
670 HA ALA 28 HA ALA 28 -11.338 -5.938 -2.435
671 1HB ALA 28 1HB ALA 28 -11.108 -8.147 -2.669
672 2HB ALA 28 2HB ALA 28 -10.006 -8.269 -1.297
673 3HB ALA 28 3HB ALA 28 -11.750 -8.252 -1.030
674 H LYS 29 H LYS 29 -10.257 -6.256 0.921
675 HA LYS 29 HA LYS 29 -12.796 -6.092 2.119
676 1HB LYS 29 1HB LYS 29 -10.797 -6.889 3.309
677 2HB LYS 29 2HB LYS 29 -10.097 -5.279 3.225
678 1HG LYS 29 1HG LYS 29 -11.804 -4.397 4.660
679 2HG LYS 29 2HG LYS 29 -12.668 -5.937 4.644
680 1HD LYS 29 1HD LYS 29 -9.894 -5.503 5.749
681 2HD LYS 29 2HD LYS 29 -11.368 -5.616 6.709
682 1HE LYS 29 1HE LYS 29 -11.733 -7.890 5.880
683 2HE LYS 29 2HE LYS 29 -10.257 -7.777 4.923
684 1HZ LYS 29 1HZ LYS 29 -9.042 -7.423 7.038
685 2HZ LYS 29 2HZ LYS 29 -10.473 -7.742 7.881
686 3HZ LYS 29 3HZ LYS 29 -9.769 -8.946 6.921
687 H ILE 30 H ILE 30 -10.522 -3.666 1.009
688 HA ILE 30 HA ILE 30 -11.626 -1.412 2.237
689 HB ILE 30 HB ILE 30 -10.358 -1.532 -0.503
690 1HG1 ILE 30 1HG1 ILE 30 -9.098 -1.051 2.208
691 2HG1 ILE 30 2HG1 ILE 30 -8.927 -2.519 1.254
692 1HG2 ILE 30 1HG2 ILE 30 -11.113 0.685 1.344
693 2HG2 ILE 30 2HG2 ILE 30 -9.688 0.865 0.321
694 3HG2 ILE 30 3HG2 ILE 30 -11.268 0.578 -0.409
695 1HD1 ILE 30 1HD1 ILE 30 -8.026 -0.851 -0.557
696 2HD1 ILE 30 2HD1 ILE 30 -7.706 0.156 0.856
697 3HD1 ILE 30 3HD1 ILE 30 -6.986 -1.449 0.736
698 H GLN 31 H GLN 31 -12.570 -3.177 -0.662
699 HA GLN 31 HA GLN 31 -14.412 -1.327 -1.705
700 1HB GLN 31 1HB GLN 31 -14.528 -4.351 -1.816
701 2HB GLN 31 2HB GLN 31 -15.411 -3.250 -2.862
702 1HG GLN 31 1HG GLN 31 -13.309 -2.436 -3.788
703 2HG GLN 31 2HG GLN 31 -12.419 -3.529 -2.732
704 1HE2 GLN 31 2HE2 GLN 31 -11.756 -5.302 -3.686
705 2HE2 GLN 31 1HE2 GLN 31 -12.534 -6.113 -4.996
706 H ASP 32 H ASP 32 -14.764 -4.032 0.543
707 HA ASP 32 HA ASP 32 -17.517 -3.672 1.060
708 1HB ASP 32 1HB ASP 32 -16.283 -5.755 1.602
709 2HB ASP 32 2HB ASP 32 -15.385 -4.882 2.839
710 H LYS 33 H LYS 33 -14.589 -2.297 2.251
711 HA LYS 33 HA LYS 33 -15.552 -1.055 4.583
712 1HB LYS 33 1HB LYS 33 -13.134 -1.507 3.863
713 2HB LYS 33 2HB LYS 33 -13.274 -0.053 2.886
714 1HG LYS 33 1HG LYS 33 -12.203 0.427 5.001
715 2HG LYS 33 2HG LYS 33 -13.758 1.254 4.892
716 1HD LYS 33 1HD LYS 33 -14.771 -0.581 6.220
717 2HD LYS 33 2HD LYS 33 -13.167 -1.291 6.402
718 1HE LYS 33 1HE LYS 33 -13.792 0.025 8.364
719 2HE LYS 33 2HE LYS 33 -12.392 0.714 7.542
720 1HZ LYS 33 1HZ LYS 33 -15.170 1.667 7.128
721 2HZ LYS 33 2HZ LYS 33 -14.097 2.361 8.239
722 3HZ LYS 33 3HZ LYS 33 -13.745 2.397 6.586
723 H GLU 34 H GLU 34 -15.545 -0.117 1.207
724 HA GLU 34 HA GLU 34 -17.318 2.110 1.858
725 1HB GLU 34 1HB GLU 34 -15.055 3.097 1.748
726 2HB GLU 34 2HB GLU 34 -14.862 2.450 0.124
727 1HG GLU 34 1HG GLU 34 -15.412 4.775 -0.014
728 2HG GLU 34 2HG GLU 34 -16.766 3.823 -0.621
729 H GLY 35 H GLY 35 -15.562 0.956 -1.034
730 1HA GLY 35 1HA GLY 35 -18.128 0.906 -2.461
731 2HA GLY 35 2HA GLY 35 -17.159 -0.558 -2.419
732 H ILE 36 H ILE 36 -14.622 0.380 -2.787
733 HA ILE 36 HA ILE 36 -14.793 1.610 -5.458
734 HB ILE 36 HB ILE 36 -12.194 1.990 -4.304
735 1HG1 ILE 36 1HG1 ILE 36 -12.969 3.762 -2.625
736 2HG1 ILE 36 2HG1 ILE 36 -14.533 2.959 -2.666
737 1HG2 ILE 36 1HG2 ILE 36 -14.279 3.525 -5.679
738 2HG2 ILE 36 2HG2 ILE 36 -13.197 4.467 -4.654
739 3HG2 ILE 36 3HG2 ILE 36 -12.536 3.465 -5.948
740 1HD1 ILE 36 1HD1 ILE 36 -12.517 0.999 -2.243
741 2HD1 ILE 36 2HD1 ILE 36 -12.282 2.324 -1.103
742 3HD1 ILE 36 3HD1 ILE 36 -13.834 1.488 -1.175
743 HA PRO 37 HA PRO 37 -12.962 -2.183 -6.908
744 1HB PRO 37 1HB PRO 37 -11.855 -0.343 -8.976
745 2HB PRO 37 2HB PRO 37 -12.725 -1.864 -9.177
746 1HG PRO 37 1HG PRO 37 -13.939 0.459 -9.632
747 2HG PRO 37 2HG PRO 37 -14.799 -0.876 -8.845
748 1HD PRO 37 1HD PRO 37 -13.666 1.614 -7.655
749 2HD PRO 37 2HD PRO 37 -15.136 0.724 -7.220
750 HA PRO 38 HA PRO 38 -8.929 -1.890 -5.060
751 1HB PRO 38 1HB PRO 38 -7.853 -4.141 -6.256
752 2HB PRO 38 2HB PRO 38 -8.846 -4.152 -4.797
753 1HG PRO 38 1HG PRO 38 -9.631 -4.693 -7.629
754 2HG PRO 38 2HG PRO 38 -10.143 -5.518 -6.146
755 1HD PRO 38 1HD PRO 38 -11.728 -3.738 -7.373
756 2HD PRO 38 2HD PRO 38 -11.668 -3.854 -5.602
757 H ASP 39 H ASP 39 -9.307 -2.421 -8.530
758 HA ASP 39 HA ASP 39 -6.694 -1.898 -9.348
759 1HB ASP 39 1HB ASP 39 -9.281 -1.288 -10.795
760 2HB ASP 39 2HB ASP 39 -7.689 -1.335 -11.540
761 H GLN 40 H GLN 40 -9.378 0.283 -8.648
762 HA GLN 40 HA GLN 40 -8.136 2.637 -9.572
763 1HB GLN 40 1HB GLN 40 -10.283 2.270 -7.477
764 2HB GLN 40 2HB GLN 40 -9.851 3.804 -8.224
765 1HG GLN 40 1HG GLN 40 -10.584 3.030 -10.372
766 2HG GLN 40 2HG GLN 40 -10.853 1.408 -9.743
767 1HE2 GLN 40 2HE2 GLN 40 -11.764 3.411 -7.341
768 2HE2 GLN 40 1HE2 GLN 40 -13.445 3.563 -7.698
769 H GLN 41 H GLN 41 -8.152 0.983 -6.472
770 HA GLN 41 HA GLN 41 -7.007 2.904 -4.834
771 1HB GLN 41 1HB GLN 41 -6.329 -0.033 -4.718
772 2HB GLN 41 2HB GLN 41 -6.371 1.113 -3.386
773 1HG GLN 41 1HG GLN 41 -8.757 0.179 -4.962
774 2HG GLN 41 2HG GLN 41 -8.283 -0.408 -3.370
775 1HE2 GLN 41 2HE2 GLN 41 -9.390 0.427 -1.786
776 2HE2 GLN 41 1HE2 GLN 41 -10.085 2.006 -1.736
777 H ARG 42 H ARG 42 -4.989 3.730 -4.584
778 HA ARG 42 HA ARG 42 -2.915 2.700 -6.363
779 1HB ARG 42 1HB ARG 42 -3.565 5.011 -6.813
780 2HB ARG 42 2HB ARG 42 -3.201 5.447 -5.150
781 1HG ARG 42 1HG ARG 42 -1.418 6.153 -6.621
782 2HG ARG 42 2HG ARG 42 -0.844 4.894 -5.528
783 1HD ARG 42 1HD ARG 42 -0.022 4.527 -7.793
784 2HD ARG 42 2HD ARG 42 -1.108 3.230 -7.293
785 HE ARG 42 HE ARG 42 -2.608 5.163 -8.648
786 1HH1 ARG 42 1HH1 ARG 42 -0.110 2.817 -9.283
787 2HH1 ARG 42 2HH1 ARG 42 -0.581 2.571 -10.932
788 1HH2 ARG 42 1HH2 ARG 42 -3.234 4.845 -10.816
789 2HH2 ARG 42 2HH2 ARG 42 -2.357 3.725 -11.803
790 H LEU 43 H LEU 43 -1.254 1.653 -5.485
791 HA LEU 43 HA LEU 43 -0.935 1.435 -2.669
792 1HB LEU 43 1HB LEU 43 0.627 0.479 -5.035
793 2HB LEU 43 2HB LEU 43 1.324 0.360 -3.432
794 HG LEU 43 HG LEU 43 -0.572 -1.020 -2.707
795 1HD1 LEU 43 1HD1 LEU 43 -1.466 -0.776 -5.574
796 2HD1 LEU 43 2HD1 LEU 43 -2.143 -1.896 -4.390
797 3HD1 LEU 43 3HD1 LEU 43 -2.303 -0.154 -4.152
798 1HD2 LEU 43 1HD2 LEU 43 0.835 -1.985 -5.186
799 2HD2 LEU 43 2HD2 LEU 43 1.391 -2.143 -3.521
800 3HD2 LEU 43 3HD2 LEU 43 -0.043 -3.016 -4.058
801 H ILE 44 H ILE 44 0.186 2.630 -1.295
802 HA ILE 44 HA ILE 44 2.431 4.232 -2.247
803 HB ILE 44 HB ILE 44 0.127 5.426 -0.707
804 1HG1 ILE 44 1HG1 ILE 44 1.153 6.013 -3.494
805 2HG1 ILE 44 2HG1 ILE 44 -0.302 5.093 -3.126
806 1HG2 ILE 44 1HG2 ILE 44 2.303 6.289 0.019
807 2HG2 ILE 44 2HG2 ILE 44 2.696 6.694 -1.652
808 3HG2 ILE 44 3HG2 ILE 44 1.369 7.519 -0.833
809 1HD1 ILE 44 1HD1 ILE 44 -0.334 7.656 -1.820
810 2HD1 ILE 44 2HD1 ILE 44 -0.114 7.815 -3.562
811 3HD1 ILE 44 3HD1 ILE 44 -1.502 6.933 -2.925
812 H PHE 45 H PHE 45 4.092 3.933 -0.934
813 HA PHE 45 HA PHE 45 3.567 3.307 1.898
814 1HB PHE 45 1HB PHE 45 5.710 2.201 0.073
815 2HB PHE 45 2HB PHE 45 5.722 1.997 1.821
816 HD1 PHE 45 HD1 PHE 45 5.061 -0.063 2.531
817 HD2 PHE 45 HD2 PHE 45 3.220 1.590 -0.931
818 HE1 PHE 45 HE1 PHE 45 3.678 -2.085 2.306
819 HE2 PHE 45 HE2 PHE 45 1.831 -0.427 -1.160
820 HZ PHE 45 HZ PHE 45 2.058 -2.268 0.460
821 H ALA 46 H ALA 46 4.940 4.236 3.450
822 HA ALA 46 HA ALA 46 7.051 6.016 2.507
823 1HB ALA 46 1HB ALA 46 5.620 7.750 2.485
824 2HB ALA 46 2HB ALA 46 4.457 6.942 3.536
825 3HB ALA 46 3HB ALA 46 5.875 7.727 4.229
826 H GLY 47 H GLY 47 8.747 5.983 3.817
827 1HA GLY 47 1HA GLY 47 9.981 4.954 5.550
828 2HA GLY 47 2HA GLY 47 8.481 4.654 6.411
829 H LYS 48 H LYS 48 8.852 5.607 8.343
830 HA LYS 48 HA LYS 48 10.201 8.126 8.576
831 1HB LYS 48 1HB LYS 48 8.303 9.373 9.546
832 2HB LYS 48 2HB LYS 48 8.055 8.990 7.852
833 1HG LYS 48 1HG LYS 48 6.891 7.340 10.075
834 2HG LYS 48 2HG LYS 48 6.059 8.723 9.363
835 1HD LYS 48 1HD LYS 48 7.017 6.310 7.828
836 2HD LYS 48 2HD LYS 48 5.363 6.561 8.385
837 1HE LYS 48 1HE LYS 48 6.875 8.348 6.485
838 2HE LYS 48 2HE LYS 48 5.628 7.188 6.034
839 1HZ LYS 48 1HZ LYS 48 4.205 8.524 7.708
840 2HZ LYS 48 2HZ LYS 48 5.351 9.745 7.460
841 3HZ LYS 48 3HZ LYS 48 4.457 9.145 6.155
842 H GLN 49 H GLN 49 11.390 6.536 9.798
843 HA GLN 49 HA GLN 49 10.357 5.474 12.215
844 1HB GLN 49 1HB GLN 49 12.321 4.484 11.234
845 2HB GLN 49 2HB GLN 49 13.175 6.018 11.267
846 1HG GLN 49 1HG GLN 49 14.003 4.620 13.015
847 2HG GLN 49 2HG GLN 49 13.111 5.967 13.720
848 1HE2 GLN 49 2HE2 GLN 49 13.640 2.758 13.962
849 2HE2 GLN 49 1HE2 GLN 49 12.178 2.269 14.737
850 H LEU 50 H LEU 50 9.609 6.746 13.776
851 HA LEU 50 HA LEU 50 9.998 9.442 14.098
852 1HB LEU 50 1HB LEU 50 9.366 7.354 16.173
853 2HB LEU 50 2HB LEU 50 9.340 9.071 16.511
854 HG LEU 50 HG LEU 50 7.091 8.352 16.126
855 1HD1 LEU 50 1HD1 LEU 50 8.075 10.495 14.985
856 2HD1 LEU 50 2HD1 LEU 50 7.716 9.608 13.504
857 3HD1 LEU 50 3HD1 LEU 50 6.425 9.967 14.652
858 1HD2 LEU 50 1HD2 LEU 50 8.295 6.660 14.162
859 2HD2 LEU 50 2HD2 LEU 50 6.668 6.605 14.841
860 3HD2 LEU 50 3HD2 LEU 50 7.003 7.609 13.430
861 H GLU 51 H GLU 51 12.258 9.769 13.682
862 HA GLU 51 HA GLU 51 14.331 8.808 15.309
863 1HB GLU 51 1HB GLU 51 14.174 11.410 13.777
864 2HB GLU 51 2HB GLU 51 15.647 10.704 14.424
865 1HG GLU 51 1HG GLU 51 15.356 8.764 12.969
866 2HG GLU 51 2HG GLU 51 13.879 9.473 12.322
No H/Q in entry = 866
Start of MODEL 7
1 H1 GLY -1 H1 GLY -1 3.251 -0.008 -14.598
2 H2 GLY -1 H2 GLY -1 4.668 -0.521 -13.832
3 H3 GLY -1 H3 GLY -1 4.754 0.277 -15.321
4 1HA GLY -1 1HA GLY -1 4.980 -2.295 -15.219
5 2HA GLY -1 2HA GLY -1 4.093 -1.527 -16.524
6 H SER 0 H SER 0 3.942 -4.161 -14.875
7 HA SER 0 HA SER 0 1.200 -4.609 -15.224
8 1HB SER 0 1HB SER 0 3.162 -6.113 -13.474
9 2HB SER 0 2HB SER 0 1.575 -6.703 -13.966
10 HG SER 0 HG SER 0 3.925 -6.510 -15.413
11 H MET 1 H MET 1 3.063 -3.712 -12.364
12 HA MET 1 HA MET 1 0.761 -2.561 -11.125
13 1HB MET 1 1HB MET 1 0.314 -4.886 -10.577
14 2HB MET 1 2HB MET 1 1.937 -5.076 -9.928
15 1HG MET 1 1HG MET 1 0.254 -4.857 -8.174
16 2HG MET 1 2HG MET 1 1.437 -3.554 -8.126
17 1HE MET 1 1HE MET 1 -0.955 -3.338 -6.456
18 2HE MET 1 2HE MET 1 -0.080 -1.820 -6.664
19 3HE MET 1 3HE MET 1 -1.834 -1.861 -6.856
20 H GLN 2 H GLN 2 2.852 -1.164 -11.747
21 HA GLN 2 HA GLN 2 5.042 -1.137 -9.996
22 1HB GLN 2 1HB GLN 2 5.431 1.146 -10.813
23 2HB GLN 2 2HB GLN 2 5.059 0.048 -12.133
24 1HG GLN 2 1HG GLN 2 2.733 0.875 -12.117
25 2HG GLN 2 2HG GLN 2 3.184 2.032 -10.868
26 1HE2 GLN 2 2HE2 GLN 2 5.814 1.678 -12.811
27 2HE2 GLN 2 1HE2 GLN 2 5.546 2.991 -13.898
28 H ILE 3 H ILE 3 5.249 -0.499 -7.962
29 HA ILE 3 HA ILE 3 2.969 0.720 -6.620
30 HB ILE 3 HB ILE 3 4.196 0.144 -4.531
31 1HG1 ILE 3 1HG1 ILE 3 6.128 -1.200 -6.426
32 2HG1 ILE 3 2HG1 ILE 3 6.475 0.223 -5.455
33 1HG2 ILE 3 1HG2 ILE 3 3.602 -2.030 -6.516
34 2HG2 ILE 3 2HG2 ILE 3 3.972 -2.351 -4.823
35 3HG2 ILE 3 3HG2 ILE 3 2.555 -1.392 -5.249
36 1HD1 ILE 3 1HD1 ILE 3 5.924 -1.234 -3.439
37 2HD1 ILE 3 2HD1 ILE 3 6.052 -2.596 -4.552
38 3HD1 ILE 3 3HD1 ILE 3 7.440 -1.542 -4.287
39 H PHE 4 H PHE 4 2.962 2.743 -5.833
40 HA PHE 4 HA PHE 4 5.277 4.433 -6.346
41 1HB PHE 4 1HB PHE 4 2.483 5.093 -5.382
42 2HB PHE 4 2HB PHE 4 3.742 6.288 -5.659
43 HD1 PHE 4 HD1 PHE 4 2.457 3.363 -7.605
44 HD2 PHE 4 HD2 PHE 4 3.335 7.526 -7.529
45 HE1 PHE 4 HE1 PHE 4 1.773 3.546 -9.961
46 HE2 PHE 4 HE2 PHE 4 2.653 7.717 -9.884
47 HZ PHE 4 HZ PHE 4 1.870 5.725 -11.104
48 H VAL 5 H VAL 5 6.676 5.066 -4.787
49 HA VAL 5 HA VAL 5 5.834 5.015 -1.991
50 HB VAL 5 HB VAL 5 8.221 3.442 -2.966
51 1HG1 VAL 5 1HG1 VAL 5 7.695 4.633 -0.450
52 2HG1 VAL 5 2HG1 VAL 5 7.538 2.886 -0.266
53 3HG1 VAL 5 3HG1 VAL 5 9.029 3.575 -0.907
54 1HG2 VAL 5 1HG2 VAL 5 5.446 2.701 -2.368
55 2HG2 VAL 5 2HG2 VAL 5 6.653 1.888 -3.365
56 3HG2 VAL 5 3HG2 VAL 5 6.670 1.682 -1.614
57 H LYS 6 H LYS 6 6.843 6.466 -0.726
58 HA LYS 6 HA LYS 6 8.847 8.193 -1.993
59 1HB LYS 6 1HB LYS 6 7.179 8.642 0.494
60 2HB LYS 6 2HB LYS 6 8.289 9.807 -0.216
61 1HG LYS 6 1HG LYS 6 6.915 9.899 -2.230
62 2HG LYS 6 2HG LYS 6 5.806 8.720 -1.529
63 1HD LYS 6 1HD LYS 6 6.418 11.442 -0.379
64 2HD LYS 6 2HD LYS 6 4.977 11.026 -1.306
65 1HE LYS 6 1HE LYS 6 5.798 9.808 1.327
66 2HE LYS 6 2HE LYS 6 4.529 11.010 1.096
67 1HZ LYS 6 1HZ LYS 6 4.536 8.285 -0.085
68 2HZ LYS 6 2HZ LYS 6 3.643 8.757 1.271
69 3HZ LYS 6 3HZ LYS 6 3.305 9.434 -0.242
70 H THR 7 H THR 7 10.922 8.133 -1.332
71 HA THR 7 HA THR 7 11.770 6.207 0.567
72 HB THR 7 HB THR 7 14.025 7.073 0.230
73 HG1 THR 7 HG1 THR 7 14.372 8.952 -0.923
74 1HG2 THR 7 1HG2 THR 7 12.240 6.582 -2.103
75 2HG2 THR 7 2HG2 THR 7 13.897 7.099 -2.411
76 3HG2 THR 7 3HG2 THR 7 13.590 5.625 -1.494
77 H LEU 8 H LEU 8 13.896 7.703 1.822
78 HA LEU 8 HA LEU 8 12.579 8.437 4.195
79 1HB LEU 8 1HB LEU 8 15.382 9.223 3.428
80 2HB LEU 8 2HB LEU 8 14.731 9.038 5.046
81 HG LEU 8 HG LEU 8 14.324 6.543 4.161
82 1HD1 LEU 8 1HD1 LEU 8 16.726 7.515 2.628
83 2HD1 LEU 8 2HD1 LEU 8 16.238 5.830 2.813
84 3HD1 LEU 8 3HD1 LEU 8 15.199 6.960 1.944
85 1HD2 LEU 8 1HD2 LEU 8 16.361 7.890 5.701
86 2HD2 LEU 8 2HD2 LEU 8 15.580 6.333 5.974
87 3HD2 LEU 8 3HD2 LEU 8 16.985 6.441 4.913
88 H THR 9 H THR 9 14.232 10.448 1.753
89 HA THR 9 HA THR 9 13.371 12.892 3.006
90 HB THR 9 HB THR 9 14.358 14.016 1.050
91 HG1 THR 9 HG1 THR 9 14.512 12.913 -0.740
92 1HG2 THR 9 1HG2 THR 9 15.871 11.979 2.606
93 2HG2 THR 9 2HG2 THR 9 16.698 12.795 1.277
94 3HG2 THR 9 3HG2 THR 9 16.017 13.737 2.605
95 H GLY 10 H GLY 10 12.513 11.107 0.060
96 1HA GLY 10 1HA GLY 10 10.315 12.955 -0.470
97 2HA GLY 10 2HA GLY 10 9.877 11.306 -0.054
98 H LYS 11 H LYS 11 12.294 10.251 -1.405
99 HA LYS 11 HA LYS 11 12.070 10.952 -4.179
100 1HB LYS 11 1HB LYS 11 14.212 10.243 -3.403
101 2HB LYS 11 2HB LYS 11 13.547 8.777 -2.703
102 1HG LYS 11 1HG LYS 11 14.690 8.138 -4.662
103 2HG LYS 11 2HG LYS 11 12.970 8.044 -5.035
104 1HD LYS 11 1HD LYS 11 14.138 9.058 -6.879
105 2HD LYS 11 2HD LYS 11 13.118 10.266 -6.096
106 1HE LYS 11 1HE LYS 11 15.078 11.103 -4.870
107 2HE LYS 11 2HE LYS 11 16.088 9.919 -5.700
108 1HZ LYS 11 1HZ LYS 11 15.354 10.982 -7.818
109 2HZ LYS 11 2HZ LYS 11 14.644 12.212 -6.901
110 3HZ LYS 11 3HZ LYS 11 16.316 11.966 -6.834
111 H THR 12 H THR 12 10.615 10.208 -5.571
112 HA THR 12 HA THR 12 8.754 8.152 -4.833
113 HB THR 12 HB THR 12 9.142 9.496 -7.516
114 HG1 THR 12 HG1 THR 12 7.749 10.208 -5.181
115 1HG2 THR 12 1HG2 THR 12 7.835 7.259 -7.304
116 2HG2 THR 12 2HG2 THR 12 6.596 8.254 -6.540
117 3HG2 THR 12 3HG2 THR 12 7.107 8.598 -8.191
118 H ILE 13 H ILE 13 8.669 6.047 -5.528
119 HA ILE 13 HA ILE 13 10.667 5.167 -7.480
120 HB ILE 13 HB ILE 13 11.086 3.131 -6.013
121 1HG1 ILE 13 1HG1 ILE 13 10.071 5.012 -3.872
122 2HG1 ILE 13 2HG1 ILE 13 9.222 3.574 -4.432
123 1HG2 ILE 13 1HG2 ILE 13 12.158 5.863 -5.712
124 2HG2 ILE 13 2HG2 ILE 13 12.601 4.702 -4.456
125 3HG2 ILE 13 3HG2 ILE 13 12.971 4.358 -6.146
126 1HD1 ILE 13 1HD1 ILE 13 11.608 2.510 -3.777
127 2HD1 ILE 13 2HD1 ILE 13 11.510 3.836 -2.617
128 3HD1 ILE 13 3HD1 ILE 13 10.232 2.621 -2.677
129 H THR 14 H THR 14 9.900 3.816 -8.911
130 HA THR 14 HA THR 14 7.241 2.661 -8.511
131 HB THR 14 HB THR 14 7.608 2.063 -11.032
132 HG1 THR 14 HG1 THR 14 9.233 4.364 -10.983
133 1HG2 THR 14 1HG2 THR 14 6.324 4.102 -9.702
134 2HG2 THR 14 2HG2 THR 14 7.298 4.958 -10.900
135 3HG2 THR 14 3HG2 THR 14 6.155 3.717 -11.416
136 H LEU 15 H LEU 15 6.826 0.468 -8.779
137 HA LEU 15 HA LEU 15 8.899 -1.388 -9.458
138 1HB LEU 15 1HB LEU 15 9.557 -0.737 -7.177
139 2HB LEU 15 2HB LEU 15 7.978 -1.202 -6.587
140 HG LEU 15 HG LEU 15 9.901 -3.157 -7.839
141 1HD1 LEU 15 1HD1 LEU 15 9.493 -2.394 -4.954
142 2HD1 LEU 15 2HD1 LEU 15 10.330 -3.853 -5.483
143 3HD1 LEU 15 3HD1 LEU 15 10.979 -2.266 -5.895
144 1HD2 LEU 15 1HD2 LEU 15 7.235 -3.315 -6.548
145 2HD2 LEU 15 2HD2 LEU 15 7.910 -4.255 -7.882
146 3HD2 LEU 15 3HD2 LEU 15 8.389 -4.611 -6.221
147 H GLU 16 H GLU 16 7.769 -2.784 -10.638
148 HA GLU 16 HA GLU 16 4.969 -3.236 -10.195
149 1HB GLU 16 1HB GLU 16 5.138 -4.726 -12.155
150 2HB GLU 16 2HB GLU 16 5.802 -3.129 -12.463
151 1HG GLU 16 1HG GLU 16 8.060 -4.005 -12.136
152 2HG GLU 16 2HG GLU 16 7.391 -5.607 -11.839
153 H VAL 17 H VAL 17 3.967 -4.975 -9.381
154 HA VAL 17 HA VAL 17 5.308 -7.458 -8.835
155 HB VAL 17 HB VAL 17 4.527 -7.306 -6.347
156 1HG1 VAL 17 1HG1 VAL 17 7.012 -6.737 -7.680
157 2HG1 VAL 17 2HG1 VAL 17 6.901 -5.869 -6.149
158 3HG1 VAL 17 3HG1 VAL 17 6.713 -7.622 -6.186
159 1HG2 VAL 17 1HG2 VAL 17 4.398 -4.524 -7.248
160 2HG2 VAL 17 2HG2 VAL 17 3.625 -5.313 -5.873
161 3HG2 VAL 17 3HG2 VAL 17 5.299 -4.771 -5.752
162 H GLU 18 H GLU 18 3.889 -9.111 -8.710
163 HA GLU 18 HA GLU 18 1.252 -8.739 -9.560
164 1HB GLU 18 1HB GLU 18 2.354 -11.132 -8.078
165 2HB GLU 18 2HB GLU 18 0.956 -11.106 -9.143
166 1HG GLU 18 1HG GLU 18 2.402 -10.572 -11.034
167 2HG GLU 18 2HG GLU 18 3.805 -10.590 -9.966
168 HA PRO 19 HA PRO 19 -0.933 -7.409 -5.932
169 1HB PRO 19 1HB PRO 19 -3.306 -8.752 -6.532
170 2HB PRO 19 2HB PRO 19 -2.882 -7.129 -7.065
171 1HG PRO 19 1HG PRO 19 -2.657 -9.717 -8.525
172 2HG PRO 19 2HG PRO 19 -3.121 -8.120 -9.136
173 1HD PRO 19 1HD PRO 19 -0.686 -9.112 -9.604
174 2HD PRO 19 2HD PRO 19 -0.909 -7.388 -9.240
175 H SER 20 H SER 20 -1.061 -10.752 -7.002
176 HA SER 20 HA SER 20 -2.018 -11.894 -4.624
177 1HB SER 20 1HB SER 20 -2.058 -13.058 -6.772
178 2HB SER 20 2HB SER 20 -0.298 -13.106 -6.794
179 HG SER 20 HG SER 20 -1.667 -14.185 -4.598
180 H ASP 21 H ASP 21 1.168 -10.885 -5.620
181 HA ASP 21 HA ASP 21 2.762 -12.355 -3.876
182 1HB ASP 21 1HB ASP 21 3.605 -10.848 -5.688
183 2HB ASP 21 2HB ASP 21 3.189 -9.467 -4.677
184 H THR 22 H THR 22 3.222 -12.236 -1.739
185 HA THR 22 HA THR 22 1.433 -11.032 0.031
186 HB THR 22 HB THR 22 4.255 -11.860 0.705
187 HG1 THR 22 HG1 THR 22 1.920 -13.357 0.192
188 1HG2 THR 22 1HG2 THR 22 1.731 -11.491 2.293
189 2HG2 THR 22 2HG2 THR 22 3.069 -12.477 2.880
190 3HG2 THR 22 3HG2 THR 22 3.313 -10.761 2.561
191 H ILE 23 H ILE 23 1.625 -9.292 1.452
192 HA ILE 23 HA ILE 23 2.706 -6.933 0.396
193 HB ILE 23 HB ILE 23 1.903 -7.490 3.256
194 1HG1 ILE 23 1HG1 ILE 23 0.333 -6.309 0.951
195 2HG1 ILE 23 2HG1 ILE 23 0.096 -7.912 1.638
196 1HG2 ILE 23 1HG2 ILE 23 3.024 -5.156 1.968
197 2HG2 ILE 23 2HG2 ILE 23 1.441 -4.817 2.667
198 3HG2 ILE 23 3HG2 ILE 23 2.730 -5.468 3.679
199 1HD1 ILE 23 1HD1 ILE 23 -0.242 -5.367 3.199
200 2HD1 ILE 23 2HD1 ILE 23 -1.557 -6.200 2.369
201 3HD1 ILE 23 3HD1 ILE 23 -0.698 -6.999 3.685
202 H GLU 24 H GLU 24 3.914 -9.080 2.958
203 HA GLU 24 HA GLU 24 6.097 -7.515 3.746
204 1HB GLU 24 1HB GLU 24 7.037 -9.567 4.678
205 2HB GLU 24 2HB GLU 24 5.317 -9.461 5.023
206 1HG GLU 24 1HG GLU 24 4.856 -11.017 3.201
207 2HG GLU 24 2HG GLU 24 6.579 -11.126 2.858
208 H ASN 25 H ASN 25 5.646 -9.621 0.998
209 HA ASN 25 HA ASN 25 8.399 -9.833 0.292
210 1HB ASN 25 1HB ASN 25 5.924 -10.185 -1.413
211 2HB ASN 25 2HB ASN 25 7.553 -10.639 -1.889
212 1HD2 ASN 25 2HD2 ASN 25 7.246 -11.191 1.366
213 2HD2 ASN 25 1HD2 ASN 25 6.824 -12.863 1.317
214 H VAL 26 H VAL 26 5.719 -7.867 -1.007
215 HA VAL 26 HA VAL 26 7.234 -6.440 -2.873
216 HB VAL 26 HB VAL 26 5.433 -4.787 -2.879
217 1HG1 VAL 26 1HG1 VAL 26 5.279 -7.358 -3.687
218 2HG1 VAL 26 2HG1 VAL 26 3.861 -7.254 -2.644
219 3HG1 VAL 26 3HG1 VAL 26 4.040 -6.143 -4.002
220 1HG2 VAL 26 1HG2 VAL 26 5.066 -4.797 -0.411
221 2HG2 VAL 26 2HG2 VAL 26 3.589 -4.855 -1.372
222 3HG2 VAL 26 3HG2 VAL 26 4.200 -6.321 -0.605
223 H LYS 27 H LYS 27 6.538 -5.756 0.526
224 HA LYS 27 HA LYS 27 7.655 -3.179 0.627
225 1HB LYS 27 1HB LYS 27 7.433 -5.263 2.807
226 2HB LYS 27 2HB LYS 27 7.801 -3.566 3.069
227 1HG LYS 27 1HG LYS 27 5.631 -2.924 2.218
228 2HG LYS 27 2HG LYS 27 5.259 -4.606 1.838
229 1HD LYS 27 1HD LYS 27 4.183 -3.968 3.913
230 2HD LYS 27 2HD LYS 27 5.437 -5.166 4.228
231 1HE LYS 27 1HE LYS 27 6.966 -3.381 4.913
232 2HE LYS 27 2HE LYS 27 5.707 -2.187 4.604
233 1HZ LYS 27 1HZ LYS 27 4.689 -4.178 6.308
234 2HZ LYS 27 2HZ LYS 27 6.157 -3.625 6.942
235 3HZ LYS 27 3HZ LYS 27 4.909 -2.530 6.623
236 H ALA 28 H ALA 28 9.070 -6.374 1.172
237 HA ALA 28 HA ALA 28 11.587 -5.581 2.062
238 1HB ALA 28 1HB ALA 28 11.754 -7.929 0.394
239 2HB ALA 28 2HB ALA 28 10.338 -7.989 1.443
240 3HB ALA 28 3HB ALA 28 11.943 -7.772 2.140
241 H LYS 29 H LYS 29 10.291 -5.816 -1.196
242 HA LYS 29 HA LYS 29 12.745 -5.568 -2.582
243 1HB LYS 29 1HB LYS 29 10.052 -4.630 -3.575
244 2HB LYS 29 2HB LYS 29 11.419 -5.188 -4.531
245 1HG LYS 29 1HG LYS 29 11.132 -7.440 -3.604
246 2HG LYS 29 2HG LYS 29 9.739 -6.862 -2.684
247 1HD LYS 29 1HD LYS 29 8.593 -6.295 -4.767
248 2HD LYS 29 2HD LYS 29 9.987 -6.855 -5.692
249 1HE LYS 29 1HE LYS 29 8.277 -8.542 -3.869
250 2HE LYS 29 2HE LYS 29 8.227 -8.546 -5.631
251 1HZ LYS 29 1HZ LYS 29 10.557 -9.278 -5.623
252 2HZ LYS 29 2HZ LYS 29 10.519 -9.367 -3.934
253 3HZ LYS 29 3HZ LYS 29 9.533 -10.385 -4.857
254 H ILE 30 H ILE 30 10.290 -3.231 -1.567
255 HA ILE 30 HA ILE 30 11.385 -0.922 -2.665
256 HB ILE 30 HB ILE 30 9.917 -1.225 -0.042
257 1HG1 ILE 30 1HG1 ILE 30 8.877 -0.523 -2.795
258 2HG1 ILE 30 2HG1 ILE 30 8.711 -2.098 -2.030
259 1HG2 ILE 30 1HG2 ILE 30 10.698 1.169 -1.667
260 2HG2 ILE 30 2HG2 ILE 30 9.257 1.206 -0.649
261 3HG2 ILE 30 3HG2 ILE 30 10.839 0.907 0.071
262 1HD1 ILE 30 1HD1 ILE 30 7.546 0.476 -1.003
263 2HD1 ILE 30 2HD1 ILE 30 6.669 -0.790 -1.863
264 3HD1 ILE 30 3HD1 ILE 30 7.355 -1.118 -0.272
265 H GLN 31 H GLN 31 12.150 -2.682 0.261
266 HA GLN 31 HA GLN 31 13.902 -0.851 1.474
267 1HB GLN 31 1HB GLN 31 13.031 -2.740 2.700
268 2HB GLN 31 2HB GLN 31 13.726 -3.867 1.542
269 1HG GLN 31 1HG GLN 31 15.964 -3.212 2.252
270 2HG GLN 31 2HG GLN 31 15.262 -2.094 3.422
271 1HE2 GLN 31 2HE2 GLN 31 15.025 -2.832 5.397
272 2HE2 GLN 31 1HE2 GLN 31 14.932 -4.491 5.865
273 H ASP 32 H ASP 32 14.424 -3.597 -0.686
274 HA ASP 32 HA ASP 32 17.205 -3.312 -0.964
275 1HB ASP 32 1HB ASP 32 16.000 -5.357 -1.591
276 2HB ASP 32 2HB ASP 32 15.171 -4.485 -2.873
277 H LYS 33 H LYS 33 14.463 -1.829 -2.473
278 HA LYS 33 HA LYS 33 15.783 -0.610 -4.658
279 1HB LYS 33 1HB LYS 33 13.164 -0.088 -3.268
280 2HB LYS 33 2HB LYS 33 13.703 0.878 -4.637
281 1HG LYS 33 1HG LYS 33 13.263 -2.102 -4.652
282 2HG LYS 33 2HG LYS 33 12.159 -0.893 -5.307
283 1HD LYS 33 1HD LYS 33 14.988 -1.363 -6.243
284 2HD LYS 33 2HD LYS 33 13.534 -1.945 -7.056
285 1HE LYS 33 1HE LYS 33 12.789 0.363 -7.375
286 2HE LYS 33 2HE LYS 33 14.240 0.945 -6.560
287 1HZ LYS 33 1HZ LYS 33 15.556 -0.150 -8.320
288 2HZ LYS 33 2HZ LYS 33 14.121 -0.538 -9.129
289 3HZ LYS 33 3HZ LYS 33 14.559 1.082 -8.911
290 H GLU 34 H GLU 34 15.139 0.385 -1.344
291 HA GLU 34 HA GLU 34 16.924 2.680 -1.773
292 1HB GLU 34 1HB GLU 34 14.625 3.520 -1.721
293 2HB GLU 34 2HB GLU 34 14.352 2.713 -0.183
294 1HG GLU 34 1HG GLU 34 14.728 5.078 0.145
295 2HG GLU 34 2HG GLU 34 16.032 4.139 0.866
296 H GLY 35 H GLY 35 15.166 1.191 0.971
297 1HA GLY 35 1HA GLY 35 17.598 1.393 2.569
298 2HA GLY 35 2HA GLY 35 17.019 -0.230 2.234
299 H ILE 36 H ILE 36 14.955 2.566 2.824
300 HA ILE 36 HA ILE 36 14.549 2.480 5.496
301 HB ILE 36 HB ILE 36 11.977 2.823 4.720
302 1HG1 ILE 36 1HG1 ILE 36 12.024 4.105 2.595
303 2HG1 ILE 36 2HG1 ILE 36 13.711 3.656 2.375
304 1HG2 ILE 36 1HG2 ILE 36 14.303 4.530 5.194
305 2HG2 ILE 36 2HG2 ILE 36 13.004 5.304 4.287
306 3HG2 ILE 36 3HG2 ILE 36 12.676 4.602 5.872
307 1HD1 ILE 36 1HD1 ILE 36 12.761 1.226 2.547
308 2HD1 ILE 36 2HD1 ILE 36 11.258 2.017 2.072
309 3HD1 ILE 36 3HD1 ILE 36 12.681 2.133 1.036
310 HA PRO 37 HA PRO 37 13.304 -1.654 6.595
311 1HB PRO 37 1HB PRO 37 12.029 0.019 8.723
312 2HB PRO 37 2HB PRO 37 12.941 -1.488 8.888
313 1HG PRO 37 1HG PRO 37 14.104 0.813 9.462
314 2HG PRO 37 2HG PRO 37 14.993 -0.414 8.537
315 1HD PRO 37 1HD PRO 37 13.718 2.115 7.600
316 2HD PRO 37 2HD PRO 37 15.203 1.323 7.038
317 HA PRO 38 HA PRO 38 9.179 -1.932 4.962
318 1HB PRO 38 1HB PRO 38 8.364 -4.182 6.342
319 2HB PRO 38 2HB PRO 38 9.318 -4.206 4.858
320 1HG PRO 38 1HG PRO 38 10.220 -4.463 7.695
321 2HG PRO 38 2HG PRO 38 10.776 -5.338 6.259
322 1HD PRO 38 1HD PRO 38 12.204 -3.329 7.312
323 2HD PRO 38 2HD PRO 38 12.123 -3.585 5.558
324 H ASP 39 H ASP 39 9.698 -2.234 8.447
325 HA ASP 39 HA ASP 39 7.049 -1.828 9.267
326 1HB ASP 39 1HB ASP 39 8.038 -1.207 11.458
327 2HB ASP 39 2HB ASP 39 8.705 -2.699 10.804
328 H GLN 40 H GLN 40 9.647 0.441 8.522
329 HA GLN 40 HA GLN 40 8.336 2.755 9.462
330 1HB GLN 40 1HB GLN 40 10.473 2.417 7.357
331 2HB GLN 40 2HB GLN 40 9.938 3.974 7.973
332 1HG GLN 40 1HG GLN 40 10.700 3.394 10.193
333 2HG GLN 40 2HG GLN 40 11.158 1.787 9.639
334 1HE2 GLN 40 2HE2 GLN 40 11.830 3.722 7.121
335 2HE2 GLN 40 1HE2 GLN 40 13.480 4.107 7.455
336 H GLN 41 H GLN 41 8.487 1.216 6.285
337 HA GLN 41 HA GLN 41 7.139 3.105 4.773
338 1HB GLN 41 1HB GLN 41 7.033 0.095 4.525
339 2HB GLN 41 2HB GLN 41 6.563 1.232 3.271
340 1HG GLN 41 1HG GLN 41 8.822 2.044 3.094
341 2HG GLN 41 2HG GLN 41 9.324 1.037 4.449
342 1HE2 GLN 41 2HE2 GLN 41 10.447 -0.644 3.822
343 2HE2 GLN 41 1HE2 GLN 41 10.192 -1.570 2.385
344 H ARG 42 H ARG 42 5.123 3.854 4.779
345 HA ARG 42 HA ARG 42 3.145 2.498 6.409
346 1HB ARG 42 1HB ARG 42 3.166 5.277 5.252
347 2HB ARG 42 2HB ARG 42 1.856 4.612 6.218
348 1HG ARG 42 1HG ARG 42 3.397 4.335 8.103
349 2HG ARG 42 2HG ARG 42 4.693 5.036 7.133
350 1HD ARG 42 1HD ARG 42 3.422 7.116 6.935
351 2HD ARG 42 2HD ARG 42 2.125 6.415 7.902
352 HE ARG 42 HE ARG 42 4.447 7.646 8.890
353 1HH1 ARG 42 1HH1 ARG 42 2.440 4.852 9.460
354 2HH1 ARG 42 2HH1 ARG 42 2.848 4.744 11.139
355 1HH2 ARG 42 1HH2 ARG 42 4.987 7.508 11.099
356 2HH2 ARG 42 2HH2 ARG 42 4.295 6.253 12.071
357 H LEU 43 H LEU 43 1.466 1.444 5.594
358 HA LEU 43 HA LEU 43 1.205 1.153 2.758
359 1HB LEU 43 1HB LEU 43 0.736 -0.520 4.738
360 2HB LEU 43 2HB LEU 43 -0.863 0.193 4.687
361 HG LEU 43 HG LEU 43 -1.154 -0.522 2.391
362 1HD1 LEU 43 1HD1 LEU 43 1.460 -0.327 2.060
363 2HD1 LEU 43 2HD1 LEU 43 1.388 -2.055 2.410
364 3HD1 LEU 43 3HD1 LEU 43 0.476 -1.392 1.054
365 1HD2 LEU 43 1HD2 LEU 43 -0.303 -2.545 4.416
366 2HD2 LEU 43 2HD2 LEU 43 -1.916 -2.185 3.800
367 3HD2 LEU 43 3HD2 LEU 43 -0.763 -3.060 2.793
368 H ILE 44 H ILE 44 -0.099 2.244 1.400
369 HA ILE 44 HA ILE 44 -2.413 3.682 2.469
370 HB ILE 44 HB ILE 44 -0.278 5.013 0.801
371 1HG1 ILE 44 1HG1 ILE 44 -1.195 5.524 3.641
372 2HG1 ILE 44 2HG1 ILE 44 0.325 4.766 3.175
373 1HG2 ILE 44 1HG2 ILE 44 -2.984 5.952 1.720
374 2HG2 ILE 44 2HG2 ILE 44 -1.712 7.056 1.199
375 3HG2 ILE 44 3HG2 ILE 44 -2.361 5.864 0.073
376 1HD1 ILE 44 1HD1 ILE 44 0.591 7.030 1.827
377 2HD1 ILE 44 2HD1 ILE 44 -0.484 7.604 3.103
378 3HD1 ILE 44 3HD1 ILE 44 1.065 6.869 3.518
379 H PHE 45 H PHE 45 -4.111 3.837 1.099
380 HA PHE 45 HA PHE 45 -3.743 2.935 -1.682
381 1HB PHE 45 1HB PHE 45 -6.046 2.201 0.145
382 2HB PHE 45 2HB PHE 45 -5.904 1.757 -1.551
383 HD1 PHE 45 HD1 PHE 45 -5.216 -0.370 -2.006
384 HD2 PHE 45 HD2 PHE 45 -3.898 1.480 1.591
385 HE1 PHE 45 HE1 PHE 45 -4.072 -2.450 -1.359
386 HE2 PHE 45 HE2 PHE 45 -2.747 -0.592 2.241
387 HZ PHE 45 HZ PHE 45 -2.834 -2.561 0.766
388 H ALA 46 H ALA 46 -5.123 3.913 -3.234
389 HA ALA 46 HA ALA 46 -7.094 5.847 -2.357
390 1HB ALA 46 1HB ALA 46 -5.136 7.207 -2.114
391 2HB ALA 46 2HB ALA 46 -4.567 6.757 -3.722
392 3HB ALA 46 3HB ALA 46 -6.017 7.746 -3.545
393 H GLY 47 H GLY 47 -8.733 5.791 -3.724
394 1HA GLY 47 1HA GLY 47 -9.983 5.226 -5.569
395 2HA GLY 47 2HA GLY 47 -8.596 4.335 -6.168
396 H LYS 48 H LYS 48 -10.629 6.386 -7.259
397 HA LYS 48 HA LYS 48 -8.891 7.545 -9.188
398 1HB LYS 48 1HB LYS 48 -11.225 6.880 -9.669
399 2HB LYS 48 2HB LYS 48 -11.790 8.171 -8.617
400 1HG LYS 48 1HG LYS 48 -11.948 8.839 -10.932
401 2HG LYS 48 2HG LYS 48 -10.746 9.823 -10.097
402 1HD LYS 48 1HD LYS 48 -8.962 8.429 -11.027
403 2HD LYS 48 2HD LYS 48 -10.164 7.447 -11.863
404 1HE LYS 48 1HE LYS 48 -9.156 9.080 -13.370
405 2HE LYS 48 2HE LYS 48 -10.877 9.393 -13.147
406 1HZ LYS 48 1HZ LYS 48 -9.026 10.779 -11.366
407 2HZ LYS 48 2HZ LYS 48 -9.072 11.292 -12.978
408 3HZ LYS 48 3HZ LYS 48 -10.481 11.313 -12.041
409 H GLN 49 H GLN 49 -7.448 8.636 -7.673
410 HA GLN 49 HA GLN 49 -8.302 10.895 -6.197
411 1HB GLN 49 1HB GLN 49 -5.587 10.272 -7.386
412 2HB GLN 49 2HB GLN 49 -5.905 11.529 -6.203
413 1HG GLN 49 1HG GLN 49 -6.601 9.837 -4.587
414 2HG GLN 49 2HG GLN 49 -6.278 8.575 -5.776
415 1HE2 GLN 49 2HE2 GLN 49 -5.064 10.072 -3.149
416 2HE2 GLN 49 1HE2 GLN 49 -3.377 9.796 -3.396
417 H LEU 50 H LEU 50 -9.470 12.363 -7.269
418 HA LEU 50 HA LEU 50 -9.509 13.042 -9.892
419 1HB LEU 50 1HB LEU 50 -9.938 14.804 -7.492
420 2HB LEU 50 2HB LEU 50 -10.246 15.349 -9.126
421 HG LEU 50 HG LEU 50 -12.312 14.665 -8.044
422 1HD1 LEU 50 1HD1 LEU 50 -11.141 12.965 -6.552
423 2HD1 LEU 50 2HD1 LEU 50 -12.731 12.531 -7.180
424 3HD1 LEU 50 3HD1 LEU 50 -11.275 11.850 -7.913
425 1HD2 LEU 50 1HD2 LEU 50 -11.717 14.160 -10.531
426 2HD2 LEU 50 2HD2 LEU 50 -11.779 12.479 -10.001
427 3HD2 LEU 50 3HD2 LEU 50 -13.197 13.513 -9.823
428 H GLU 51 H GLU 51 -7.321 12.857 -10.621
429 HA GLU 51 HA GLU 51 -6.095 15.356 -11.088
430 1HB GLU 51 1HB GLU 51 -5.326 15.154 -8.783
431 2HB GLU 51 2HB GLU 51 -4.672 13.557 -9.117
432 1HG GLU 51 1HG GLU 51 -3.066 14.533 -10.671
433 2HG GLU 51 2HG GLU 51 -3.728 16.136 -10.352
434 H1 GLY -1 H1 GLY -1 -3.510 -0.018 14.667
435 H2 GLY -1 H2 GLY -1 -4.906 -0.533 13.865
436 H3 GLY -1 H3 GLY -1 -5.028 0.222 15.374
437 1HA GLY -1 1HA GLY -1 -5.198 -2.358 15.178
438 2HA GLY -1 2HA GLY -1 -4.380 -1.606 16.536
439 H SER 0 H SER 0 -4.095 -4.187 14.826
440 HA SER 0 HA SER 0 -1.350 -4.561 15.256
441 1HB SER 0 1HB SER 0 -3.212 -6.086 13.419
442 2HB SER 0 2HB SER 0 -1.622 -6.639 13.945
443 HG SER 0 HG SER 0 -4.014 -6.464 15.367
444 H MET 1 H MET 1 -3.147 -3.853 12.282
445 HA MET 1 HA MET 1 -0.840 -2.551 11.154
446 1HB MET 1 1HB MET 1 -0.341 -4.839 10.551
447 2HB MET 1 2HB MET 1 -1.961 -5.065 9.909
448 1HG MET 1 1HG MET 1 -0.277 -4.778 8.156
449 2HG MET 1 2HG MET 1 -1.518 -3.531 8.114
450 1HE MET 1 1HE MET 1 0.802 -3.148 6.424
451 2HE MET 1 2HE MET 1 -0.127 -1.672 6.696
452 3HE MET 1 3HE MET 1 1.632 -1.649 6.845
453 H GLN 2 H GLN 2 -2.934 -1.176 11.766
454 HA GLN 2 HA GLN 2 -5.111 -1.121 9.998
455 1HB GLN 2 1HB GLN 2 -5.493 1.160 10.856
456 2HB GLN 2 2HB GLN 2 -5.171 0.015 12.149
457 1HG GLN 2 1HG GLN 2 -2.824 0.806 12.195
458 2HG GLN 2 2HG GLN 2 -3.253 2.027 11.002
459 1HE2 GLN 2 2HE2 GLN 2 -5.881 1.545 12.956
460 2HE2 GLN 2 1HE2 GLN 2 -5.621 2.822 14.086
461 H ILE 3 H ILE 3 -5.290 -0.465 7.967
462 HA ILE 3 HA ILE 3 -3.012 0.807 6.669
463 HB ILE 3 HB ILE 3 -4.202 0.249 4.558
464 1HG1 ILE 3 1HG1 ILE 3 -6.148 -1.148 6.405
465 2HG1 ILE 3 2HG1 ILE 3 -6.497 0.291 5.456
466 1HG2 ILE 3 1HG2 ILE 3 -3.627 -1.957 6.518
467 2HG2 ILE 3 2HG2 ILE 3 -3.951 -2.244 4.809
468 3HG2 ILE 3 3HG2 ILE 3 -2.553 -1.282 5.292
469 1HD1 ILE 3 1HD1 ILE 3 -5.899 -1.130 3.422
470 2HD1 ILE 3 2HD1 ILE 3 -6.037 -2.510 4.511
471 3HD1 ILE 3 3HD1 ILE 3 -7.427 -1.458 4.238
472 H PHE 4 H PHE 4 -3.022 2.826 5.876
473 HA PHE 4 HA PHE 4 -5.365 4.490 6.367
474 1HB PHE 4 1HB PHE 4 -2.559 5.184 5.464
475 2HB PHE 4 2HB PHE 4 -3.837 6.366 5.711
476 HD1 PHE 4 HD1 PHE 4 -2.565 3.452 7.682
477 HD2 PHE 4 HD2 PHE 4 -3.494 7.605 7.595
478 HE1 PHE 4 HE1 PHE 4 -1.946 3.637 10.056
479 HE2 PHE 4 HE2 PHE 4 -2.876 7.797 9.968
480 HZ PHE 4 HZ PHE 4 -2.099 5.812 11.201
481 H VAL 5 H VAL 5 -6.731 5.142 4.785
482 HA VAL 5 HA VAL 5 -5.851 5.063 2.000
483 HB VAL 5 HB VAL 5 -8.286 3.547 2.951
484 1HG1 VAL 5 1HG1 VAL 5 -7.698 4.680 0.437
485 2HG1 VAL 5 2HG1 VAL 5 -7.499 2.935 0.278
486 3HG1 VAL 5 3HG1 VAL 5 -9.024 3.598 0.862
487 1HG2 VAL 5 1HG2 VAL 5 -5.509 2.737 2.469
488 2HG2 VAL 5 2HG2 VAL 5 -6.770 1.966 3.433
489 3HG2 VAL 5 3HG2 VAL 5 -6.723 1.726 1.687
490 H LYS 6 H LYS 6 -6.963 6.412 0.636
491 HA LYS 6 HA LYS 6 -8.912 8.202 1.915
492 1HB LYS 6 1HB LYS 6 -7.196 8.638 -0.539
493 2HB LYS 6 2HB LYS 6 -8.344 9.800 0.112
494 1HG LYS 6 1HG LYS 6 -7.044 9.925 2.180
495 2HG LYS 6 2HG LYS 6 -5.890 8.766 1.520
496 1HD LYS 6 1HD LYS 6 -6.518 11.469 0.336
497 2HD LYS 6 2HD LYS 6 -5.102 11.088 1.315
498 1HE LYS 6 1HE LYS 6 -5.808 9.845 -1.340
499 2HE LYS 6 2HE LYS 6 -4.566 11.067 -1.067
500 1HZ LYS 6 1HZ LYS 6 -4.573 8.350 0.131
501 2HZ LYS 6 2HZ LYS 6 -3.646 8.823 -1.202
502 3HZ LYS 6 3HZ LYS 6 -3.363 9.518 0.315
503 H THR 7 H THR 7 -10.976 8.126 1.272
504 HA THR 7 HA THR 7 -11.836 6.214 -0.637
505 HB THR 7 HB THR 7 -14.096 7.089 -0.251
506 HG1 THR 7 HG1 THR 7 -14.428 8.960 0.813
507 1HG2 THR 7 1HG2 THR 7 -12.280 6.513 2.046
508 2HG2 THR 7 2HG2 THR 7 -13.950 6.978 2.371
509 3HG2 THR 7 3HG2 THR 7 -13.607 5.552 1.392
510 H LEU 8 H LEU 8 -14.001 7.674 -1.825
511 HA LEU 8 HA LEU 8 -12.841 8.430 -4.254
512 1HB LEU 8 1HB LEU 8 -15.561 8.974 -3.081
513 2HB LEU 8 2HB LEU 8 -15.120 9.460 -4.705
514 HG LEU 8 HG LEU 8 -14.835 7.150 -5.376
515 1HD1 LEU 8 1HD1 LEU 8 -17.110 8.239 -5.307
516 2HD1 LEU 8 2HD1 LEU 8 -17.096 6.475 -5.340
517 3HD1 LEU 8 3HD1 LEU 8 -17.400 7.327 -3.826
518 1HD2 LEU 8 1HD2 LEU 8 -15.231 6.594 -2.468
519 2HD2 LEU 8 2HD2 LEU 8 -15.635 5.386 -3.685
520 3HD2 LEU 8 3HD2 LEU 8 -13.985 5.993 -3.562
521 H THR 9 H THR 9 -14.409 10.511 -1.813
522 HA THR 9 HA THR 9 -13.479 12.915 -3.057
523 HB THR 9 HB THR 9 -14.391 14.063 -1.079
524 HG1 THR 9 HG1 THR 9 -14.617 12.983 0.721
525 1HG2 THR 9 1HG2 THR 9 -15.976 12.061 -2.604
526 2HG2 THR 9 2HG2 THR 9 -16.759 12.868 -1.244
527 3HG2 THR 9 3HG2 THR 9 -16.103 13.820 -2.577
528 H GLY 10 H GLY 10 -12.576 11.103 -0.136
529 1HA GLY 10 1HA GLY 10 -10.291 12.888 0.262
530 2HA GLY 10 2HA GLY 10 -9.951 11.204 -0.093
531 H LYS 11 H LYS 11 -12.304 10.256 1.425
532 HA LYS 11 HA LYS 11 -11.821 11.116 4.140
533 1HB LYS 11 1HB LYS 11 -14.094 10.560 3.532
534 2HB LYS 11 2HB LYS 11 -13.605 8.950 3.022
535 1HG LYS 11 1HG LYS 11 -13.083 8.325 5.276
536 2HG LYS 11 2HG LYS 11 -13.354 9.974 5.841
537 1HD LYS 11 1HD LYS 11 -15.463 8.231 4.586
538 2HD LYS 11 2HD LYS 11 -15.236 8.432 6.324
539 1HE LYS 11 1HE LYS 11 -15.850 10.650 4.373
540 2HE LYS 11 2HE LYS 11 -17.023 9.876 5.438
541 1HZ LYS 11 1HZ LYS 11 -15.461 10.594 7.301
542 2HZ LYS 11 2HZ LYS 11 -14.762 11.632 6.163
543 3HZ LYS 11 3HZ LYS 11 -16.397 11.794 6.562
544 H THR 12 H THR 12 -10.550 10.185 5.600
545 HA THR 12 HA THR 12 -8.752 8.108 4.789
546 HB THR 12 HB THR 12 -9.130 9.376 7.509
547 HG1 THR 12 HG1 THR 12 -7.930 10.223 5.198
548 1HG2 THR 12 1HG2 THR 12 -7.916 7.087 7.263
549 2HG2 THR 12 2HG2 THR 12 -6.621 8.050 6.552
550 3HG2 THR 12 3HG2 THR 12 -7.156 8.371 8.202
551 H ILE 13 H ILE 13 -8.861 5.977 5.173
552 HA ILE 13 HA ILE 13 -10.974 5.010 6.988
553 HB ILE 13 HB ILE 13 -10.279 2.899 5.271
554 1HG1 ILE 13 1HG1 ILE 13 -10.856 5.433 3.725
555 2HG1 ILE 13 2HG1 ILE 13 -9.347 4.523 3.698
556 1HG2 ILE 13 1HG2 ILE 13 -12.698 4.638 5.573
557 2HG2 ILE 13 2HG2 ILE 13 -12.651 3.284 4.439
558 3HG2 ILE 13 3HG2 ILE 13 -12.423 2.996 6.165
559 1HD1 ILE 13 1HD1 ILE 13 -11.616 2.855 3.060
560 2HD1 ILE 13 2HD1 ILE 13 -11.479 4.236 1.972
561 3HD1 ILE 13 3HD1 ILE 13 -10.122 3.127 2.164
562 H THR 14 H THR 14 -10.368 3.726 8.595
563 HA THR 14 HA THR 14 -7.574 2.814 8.645
564 HB THR 14 HB THR 14 -9.293 2.699 11.086
565 HG1 THR 14 HG1 THR 14 -9.633 4.789 10.975
566 1HG2 THR 14 1HG2 THR 14 -6.427 2.876 10.371
567 2HG2 THR 14 2HG2 THR 14 -6.926 3.719 11.839
568 3HG2 THR 14 3HG2 THR 14 -7.217 1.988 11.674
569 H LEU 15 H LEU 15 -7.113 0.655 8.751
570 HA LEU 15 HA LEU 15 -9.098 -1.268 9.542
571 1HB LEU 15 1HB LEU 15 -10.034 -1.164 7.460
572 2HB LEU 15 2HB LEU 15 -8.545 -0.665 6.692
573 HG LEU 15 HG LEU 15 -7.715 -2.983 6.807
574 1HD1 LEU 15 1HD1 LEU 15 -10.316 -2.401 5.439
575 2HD1 LEU 15 2HD1 LEU 15 -8.686 -2.437 4.761
576 3HD1 LEU 15 3HD1 LEU 15 -9.484 -3.942 5.223
577 1HD2 LEU 15 1HD2 LEU 15 -9.852 -3.305 8.637
578 2HD2 LEU 15 2HD2 LEU 15 -10.138 -4.372 7.262
579 3HD2 LEU 15 3HD2 LEU 15 -8.623 -4.474 8.158
580 H GLU 16 H GLU 16 -7.935 -2.597 10.733
581 HA GLU 16 HA GLU 16 -5.134 -3.033 10.289
582 1HB GLU 16 1HB GLU 16 -5.275 -4.497 12.253
583 2HB GLU 16 2HB GLU 16 -6.030 -2.940 12.559
584 1HG GLU 16 1HG GLU 16 -8.230 -3.929 12.201
585 2HG GLU 16 2HG GLU 16 -7.478 -5.490 11.882
586 H VAL 17 H VAL 17 -4.125 -4.871 9.562
587 HA VAL 17 HA VAL 17 -5.529 -7.289 8.992
588 HB VAL 17 HB VAL 17 -6.313 -5.861 7.115
589 1HG1 VAL 17 1HG1 VAL 17 -6.084 -8.325 6.929
590 2HG1 VAL 17 2HG1 VAL 17 -5.950 -7.476 5.390
591 3HG1 VAL 17 3HG1 VAL 17 -4.501 -8.079 6.193
592 1HG2 VAL 17 1HG2 VAL 17 -4.068 -4.614 7.034
593 2HG2 VAL 17 2HG2 VAL 17 -3.529 -5.952 6.017
594 3HG2 VAL 17 3HG2 VAL 17 -4.894 -4.953 5.512
595 H GLU 18 H GLU 18 -4.126 -8.957 8.860
596 HA GLU 18 HA GLU 18 -1.494 -8.669 9.646
597 1HB GLU 18 1HB GLU 18 -2.695 -10.956 8.084
598 2HB GLU 18 2HB GLU 18 -1.201 -11.019 9.007
599 1HG GLU 18 1HG GLU 18 -2.446 -10.573 11.058
600 2HG GLU 18 2HG GLU 18 -3.944 -10.505 10.130
601 HA PRO 19 HA PRO 19 0.713 -7.183 6.101
602 1HB PRO 19 1HB PRO 19 3.132 -8.384 6.778
603 2HB PRO 19 2HB PRO 19 2.590 -6.801 7.323
604 1HG PRO 19 1HG PRO 19 2.502 -9.419 8.731
605 2HG PRO 19 2HG PRO 19 2.807 -7.801 9.386
606 1HD PRO 19 1HD PRO 19 0.444 -9.030 9.714
607 2HD PRO 19 2HD PRO 19 0.547 -7.272 9.476
608 H SER 20 H SER 20 0.994 -10.529 7.156
609 HA SER 20 HA SER 20 2.091 -11.585 4.795
610 1HB SER 20 1HB SER 20 2.132 -12.776 6.928
611 2HB SER 20 2HB SER 20 0.376 -12.920 6.897
612 HG SER 20 HG SER 20 1.828 -13.885 4.712
613 H ASP 21 H ASP 21 -1.162 -10.730 5.685
614 HA ASP 21 HA ASP 21 -2.634 -12.272 3.893
615 1HB ASP 21 1HB ASP 21 -3.608 -10.829 5.680
616 2HB ASP 21 2HB ASP 21 -3.210 -9.415 4.710
617 H THR 22 H THR 22 -3.039 -12.166 1.748
618 HA THR 22 HA THR 22 -1.257 -10.902 0.023
619 HB THR 22 HB THR 22 -4.044 -11.793 -0.707
620 HG1 THR 22 HG1 THR 22 -1.694 -13.226 -0.133
621 1HG2 THR 22 1HG2 THR 22 -1.508 -11.360 -2.259
622 2HG2 THR 22 2HG2 THR 22 -2.835 -12.345 -2.873
623 3HG2 THR 22 3HG2 THR 22 -3.093 -10.635 -2.529
624 H ILE 23 H ILE 23 -1.485 -9.182 -1.425
625 HA ILE 23 HA ILE 23 -2.620 -6.840 -0.373
626 HB ILE 23 HB ILE 23 -1.731 -7.372 -3.211
627 1HG1 ILE 23 1HG1 ILE 23 -0.236 -6.187 -0.858
628 2HG1 ILE 23 2HG1 ILE 23 0.035 -7.784 -1.543
629 1HG2 ILE 23 1HG2 ILE 23 -2.905 -5.055 -1.933
630 2HG2 ILE 23 2HG2 ILE 23 -1.312 -4.699 -2.599
631 3HG2 ILE 23 3HG2 ILE 23 -2.575 -5.356 -3.639
632 1HD1 ILE 23 1HD1 ILE 23 0.392 -5.231 -3.085
633 2HD1 ILE 23 2HD1 ILE 23 1.691 -6.056 -2.224
634 3HD1 ILE 23 3HD1 ILE 23 0.874 -6.858 -3.566
635 H GLU 24 H GLU 24 -3.722 -8.974 -2.996
636 HA GLU 24 HA GLU 24 -5.882 -7.440 -3.863
637 1HB GLU 24 1HB GLU 24 -6.798 -9.517 -4.782
638 2HB GLU 24 2HB GLU 24 -5.074 -9.387 -5.096
639 1HG GLU 24 1HG GLU 24 -4.624 -10.916 -3.245
640 2HG GLU 24 2HG GLU 24 -6.352 -11.045 -2.932
641 H ASN 25 H ASN 25 -5.595 -9.583 -1.102
642 HA ASN 25 HA ASN 25 -8.389 -9.673 -0.532
643 1HB ASN 25 1HB ASN 25 -5.951 -10.351 1.109
644 2HB ASN 25 2HB ASN 25 -7.593 -10.536 1.715
645 1HD2 ASN 25 2HD2 ASN 25 -5.101 -12.077 0.209
646 2HD2 ASN 25 1HD2 ASN 25 -5.968 -13.390 -0.500
647 H VAL 26 H VAL 26 -5.670 -7.869 0.917
648 HA VAL 26 HA VAL 26 -7.172 -6.474 2.812
649 HB VAL 26 HB VAL 26 -5.353 -4.856 2.896
650 1HG1 VAL 26 1HG1 VAL 26 -5.210 -7.465 3.569
651 2HG1 VAL 26 2HG1 VAL 26 -3.796 -7.317 2.526
652 3HG1 VAL 26 3HG1 VAL 26 -3.961 -6.276 3.940
653 1HG2 VAL 26 1HG2 VAL 26 -5.011 -4.775 0.408
654 2HG2 VAL 26 2HG2 VAL 26 -3.539 -4.810 1.379
655 3HG2 VAL 26 3HG2 VAL 26 -4.095 -6.273 0.566
656 H LYS 27 H LYS 27 -6.520 -5.775 -0.576
657 HA LYS 27 HA LYS 27 -7.603 -3.164 -0.623
658 1HB LYS 27 1HB LYS 27 -7.343 -5.194 -2.849
659 2HB LYS 27 2HB LYS 27 -7.702 -3.490 -3.075
660 1HG LYS 27 1HG LYS 27 -5.548 -2.871 -2.192
661 2HG LYS 27 2HG LYS 27 -5.188 -4.555 -1.810
662 1HD LYS 27 1HD LYS 27 -4.063 -3.915 -3.856
663 2HD LYS 27 2HD LYS 27 -5.317 -5.104 -4.208
664 1HE LYS 27 1HE LYS 27 -6.818 -3.308 -4.920
665 2HE LYS 27 2HE LYS 27 -5.561 -2.120 -4.571
666 1HZ LYS 27 1HZ LYS 27 -4.498 -4.094 -6.259
667 2HZ LYS 27 2HZ LYS 27 -5.956 -3.558 -6.927
668 3HZ LYS 27 3HZ LYS 27 -4.728 -2.447 -6.578
669 H ALA 28 H ALA 28 -8.999 -6.347 -1.298
670 HA ALA 28 HA ALA 28 -11.505 -5.510 -2.193
671 1HB ALA 28 1HB ALA 28 -11.843 -7.687 -2.426
672 2HB ALA 28 2HB ALA 28 -10.257 -7.948 -1.698
673 3HB ALA 28 3HB ALA 28 -11.704 -7.957 -0.688
674 H LYS 29 H LYS 29 -10.201 -5.630 1.021
675 HA LYS 29 HA LYS 29 -12.712 -5.593 2.390
676 1HB LYS 29 1HB LYS 29 -10.050 -4.634 3.449
677 2HB LYS 29 2HB LYS 29 -11.429 -5.203 4.377
678 1HG LYS 29 1HG LYS 29 -11.116 -7.449 3.458
679 2HG LYS 29 2HG LYS 29 -9.719 -6.866 2.549
680 1HD LYS 29 1HD LYS 29 -8.597 -6.284 4.644
681 2HD LYS 29 2HD LYS 29 -9.994 -6.858 5.555
682 1HE LYS 29 1HE LYS 29 -8.250 -8.528 3.747
683 2HE LYS 29 2HE LYS 29 -8.209 -8.526 5.510
684 1HZ LYS 29 1HZ LYS 29 -10.534 -9.284 5.487
685 2HZ LYS 29 2HZ LYS 29 -10.478 -9.383 3.799
686 3HZ LYS 29 3HZ LYS 29 -9.490 -10.384 4.737
687 H ILE 30 H ILE 30 -10.372 -3.205 1.312
688 HA ILE 30 HA ILE 30 -11.460 -0.954 2.550
689 HB ILE 30 HB ILE 30 -9.991 -1.098 -0.081
690 1HG1 ILE 30 1HG1 ILE 30 -8.971 -0.599 2.727
691 2HG1 ILE 30 2HG1 ILE 30 -8.779 -2.102 1.834
692 1HG2 ILE 30 1HG2 ILE 30 -10.801 1.174 1.701
693 2HG2 ILE 30 2HG2 ILE 30 -9.341 1.291 0.716
694 3HG2 ILE 30 3HG2 ILE 30 -10.906 1.038 -0.057
695 1HD1 ILE 30 1HD1 ILE 30 -7.663 0.551 0.971
696 2HD1 ILE 30 2HD1 ILE 30 -6.762 -0.698 1.832
697 3HD1 ILE 30 3HD1 ILE 30 -7.383 -1.016 0.212
698 H GLN 31 H GLN 31 -12.248 -2.439 -0.601
699 HA GLN 31 HA GLN 31 -14.060 -0.399 -1.380
700 1HB GLN 31 1HB GLN 31 -14.853 -1.924 -3.069
701 2HB GLN 31 2HB GLN 31 -13.109 -2.084 -2.962
702 1HG GLN 31 1HG GLN 31 -13.396 -4.102 -1.600
703 2HG GLN 31 2HG GLN 31 -15.142 -3.940 -1.754
704 1HE2 GLN 31 2HE2 GLN 31 -13.933 -2.899 -4.606
705 2HE2 GLN 31 1HE2 GLN 31 -13.980 -4.374 -5.499
706 H ASP 32 H ASP 32 -14.328 -3.408 0.420
707 HA ASP 32 HA ASP 32 -17.125 -3.411 0.747
708 1HB ASP 32 1HB ASP 32 -15.729 -5.370 1.299
709 2HB ASP 32 2HB ASP 32 -14.982 -4.465 2.613
710 H LYS 33 H LYS 33 -14.482 -1.789 2.256
711 HA LYS 33 HA LYS 33 -15.904 -0.694 4.470
712 1HB LYS 33 1HB LYS 33 -13.228 -0.120 3.211
713 2HB LYS 33 2HB LYS 33 -13.834 0.813 4.574
714 1HG LYS 33 1HG LYS 33 -13.396 -2.167 4.560
715 2HG LYS 33 2HG LYS 33 -12.295 -0.974 5.251
716 1HD LYS 33 1HD LYS 33 -15.150 -1.424 6.119
717 2HD LYS 33 2HD LYS 33 -13.719 -2.029 6.958
718 1HE LYS 33 1HE LYS 33 -12.955 0.269 7.309
719 2HE LYS 33 2HE LYS 33 -14.387 0.872 6.475
720 1HZ LYS 33 1HZ LYS 33 -15.736 -0.246 8.205
721 2HZ LYS 33 2HZ LYS 33 -14.311 -0.620 9.039
722 3HZ LYS 33 3HZ LYS 33 -14.760 0.996 8.811
723 H GLU 34 H GLU 34 -15.254 0.287 1.179
724 HA GLU 34 HA GLU 34 -17.005 2.609 1.583
725 1HB GLU 34 1HB GLU 34 -14.709 3.450 1.584
726 2HB GLU 34 2HB GLU 34 -14.394 2.638 0.057
727 1HG GLU 34 1HG GLU 34 -14.758 4.972 -0.343
728 2HG GLU 34 2HG GLU 34 -16.100 4.052 -1.017
729 H GLY 35 H GLY 35 -15.191 1.120 -1.130
730 1HA GLY 35 1HA GLY 35 -17.580 1.351 -2.786
731 2HA GLY 35 2HA GLY 35 -17.021 -0.279 -2.458
732 H ILE 36 H ILE 36 -14.742 2.309 -2.789
733 HA ILE 36 HA ILE 36 -14.297 2.408 -5.490
734 HB ILE 36 HB ILE 36 -11.726 2.503 -4.444
735 1HG1 ILE 36 1HG1 ILE 36 -12.010 4.004 -2.461
736 2HG1 ILE 36 2HG1 ILE 36 -13.722 3.593 -2.448
737 1HG2 ILE 36 1HG2 ILE 36 -13.812 4.455 -5.228
738 2HG2 ILE 36 2HG2 ILE 36 -12.354 5.059 -4.439
739 3HG2 ILE 36 3HG2 ILE 36 -12.228 4.131 -5.936
740 1HD1 ILE 36 1HD1 ILE 36 -12.768 1.136 -2.354
741 2HD1 ILE 36 2HD1 ILE 36 -11.374 1.967 -1.665
742 3HD1 ILE 36 3HD1 ILE 36 -12.956 2.119 -0.902
743 HA PRO 37 HA PRO 37 -13.087 -1.711 -6.683
744 1HB PRO 37 1HB PRO 37 -11.828 -0.093 -8.855
745 2HB PRO 37 2HB PRO 37 -12.849 -1.530 -8.977
746 1HG PRO 37 1HG PRO 37 -13.853 0.856 -9.525
747 2HG PRO 37 2HG PRO 37 -14.807 -0.316 -8.594
748 1HD PRO 37 1HD PRO 37 -13.305 2.089 -7.646
749 2HD PRO 37 2HD PRO 37 -14.872 1.453 -7.107
750 HA PRO 38 HA PRO 38 -8.964 -1.979 -5.060
751 1HB PRO 38 1HB PRO 38 -8.140 -4.194 -6.514
752 2HB PRO 38 2HB PRO 38 -9.035 -4.250 -4.995
753 1HG PRO 38 1HG PRO 38 -10.037 -4.498 -7.797
754 2HG PRO 38 2HG PRO 38 -10.540 -5.377 -6.344
755 1HD PRO 38 1HD PRO 38 -12.019 -3.383 -7.347
756 2HD PRO 38 2HD PRO 38 -11.867 -3.627 -5.595
757 H ASP 39 H ASP 39 -9.477 -2.209 -8.552
758 HA ASP 39 HA ASP 39 -6.827 -1.762 -9.350
759 1HB ASP 39 1HB ASP 39 -7.809 -1.114 -11.535
760 2HB ASP 39 2HB ASP 39 -8.461 -2.626 -10.911
761 H GLN 40 H GLN 40 -9.453 0.478 -8.592
762 HA GLN 40 HA GLN 40 -8.129 2.806 -9.485
763 1HB GLN 40 1HB GLN 40 -10.322 2.450 -7.441
764 2HB GLN 40 2HB GLN 40 -9.780 4.010 -8.044
765 1HG GLN 40 1HG GLN 40 -10.451 3.387 -10.298
766 2HG GLN 40 2HG GLN 40 -10.964 1.806 -9.716
767 1HE2 GLN 40 2HE2 GLN 40 -11.676 3.867 -7.293
768 2HE2 GLN 40 1HE2 GLN 40 -13.307 4.261 -7.701
769 H GLN 41 H GLN 41 -8.289 1.182 -6.358
770 HA GLN 41 HA GLN 41 -6.993 3.077 -4.786
771 1HB GLN 41 1HB GLN 41 -6.908 0.063 -4.580
772 2HB GLN 41 2HB GLN 41 -6.423 1.173 -3.308
773 1HG GLN 41 1HG GLN 41 -8.665 2.008 -3.107
774 2HG GLN 41 2HG GLN 41 -9.185 1.057 -4.495
775 1HE2 GLN 41 2HE2 GLN 41 -10.366 -0.596 -3.909
776 2HE2 GLN 41 1HE2 GLN 41 -10.129 -1.582 -2.510
777 H ARG 42 H ARG 42 -4.938 3.740 -4.593
778 HA ARG 42 HA ARG 42 -2.927 2.411 -6.239
779 1HB ARG 42 1HB ARG 42 -2.974 5.221 -5.153
780 2HB ARG 42 2HB ARG 42 -1.689 4.541 -6.140
781 1HG ARG 42 1HG ARG 42 -3.242 4.271 -7.998
782 2HG ARG 42 2HG ARG 42 -4.549 4.920 -7.006
783 1HD ARG 42 1HD ARG 42 -3.349 7.037 -6.798
784 2HD ARG 42 2HD ARG 42 -2.029 6.390 -7.772
785 HE ARG 42 HE ARG 42 -4.398 7.552 -8.745
786 1HH1 ARG 42 1HH1 ARG 42 -2.267 4.862 -9.357
787 2HH1 ARG 42 2HH1 ARG 42 -2.649 4.778 -11.043
788 1HH2 ARG 42 1HH2 ARG 42 -4.903 7.449 -10.964
789 2HH2 ARG 42 2HH2 ARG 42 -4.146 6.249 -11.957
790 H LEU 43 H LEU 43 -1.120 1.544 -5.374
791 HA LEU 43 HA LEU 43 -0.936 1.340 -2.514
792 1HB LEU 43 1HB LEU 43 0.789 0.312 -4.755
793 2HB LEU 43 2HB LEU 43 1.224 0.105 -3.071
794 HG LEU 43 HG LEU 43 -1.176 -1.038 -4.485
795 1HD1 LEU 43 1HD1 LEU 43 -1.768 -0.225 -2.231
796 2HD1 LEU 43 2HD1 LEU 43 -1.850 -1.983 -2.370
797 3HD1 LEU 43 3HD1 LEU 43 -0.479 -1.224 -1.559
798 1HD2 LEU 43 1HD2 LEU 43 1.457 -1.974 -4.016
799 2HD2 LEU 43 2HD2 LEU 43 0.361 -2.912 -3.002
800 3HD2 LEU 43 3HD2 LEU 43 0.100 -2.834 -4.744
801 H ILE 44 H ILE 44 0.303 2.462 -1.155
802 HA ILE 44 HA ILE 44 2.520 4.050 -2.191
803 HB ILE 44 HB ILE 44 0.293 5.246 -0.543
804 1HG1 ILE 44 1HG1 ILE 44 1.217 5.822 -3.369
805 2HG1 ILE 44 2HG1 ILE 44 -0.267 4.988 -2.925
806 1HG2 ILE 44 1HG2 ILE 44 2.965 6.322 -1.406
807 2HG2 ILE 44 2HG2 ILE 44 1.629 7.368 -0.925
808 3HG2 ILE 44 3HG2 ILE 44 2.303 6.213 0.225
809 1HD1 ILE 44 1HD1 ILE 44 -0.685 7.218 -1.579
810 2HD1 ILE 44 2HD1 ILE 44 0.402 7.864 -2.811
811 3HD1 ILE 44 3HD1 ILE 44 -1.094 7.060 -3.288
812 H PHE 45 H PHE 45 4.232 3.942 -0.898
813 HA PHE 45 HA PHE 45 3.827 3.116 1.901
814 1HB PHE 45 1HB PHE 45 6.115 2.360 0.068
815 2HB PHE 45 2HB PHE 45 5.985 1.922 1.767
816 HD1 PHE 45 HD1 PHE 45 5.320 -0.215 2.207
817 HD2 PHE 45 HD2 PHE 45 3.890 1.684 -1.323
818 HE1 PHE 45 HE1 PHE 45 4.134 -2.278 1.579
819 HE2 PHE 45 HE2 PHE 45 2.700 -0.373 -1.954
820 HZ PHE 45 HZ PHE 45 2.822 -2.358 -0.502
821 H ALA 46 H ALA 46 5.050 4.161 3.479
822 HA ALA 46 HA ALA 46 7.095 6.057 2.641
823 1HB ALA 46 1HB ALA 46 5.142 7.420 2.385
824 2HB ALA 46 2HB ALA 46 4.549 6.954 3.979
825 3HB ALA 46 3HB ALA 46 6.001 7.946 3.833
826 H GLY 47 H GLY 47 8.712 6.019 4.038
827 1HA GLY 47 1HA GLY 47 9.935 5.461 5.902
828 2HA GLY 47 2HA GLY 47 8.561 4.518 6.451
829 H LYS 48 H LYS 48 10.500 6.574 7.657
830 HA LYS 48 HA LYS 48 8.669 7.662 9.541
831 1HB LYS 48 1HB LYS 48 10.973 7.026 10.128
832 2HB LYS 48 2HB LYS 48 11.587 8.306 9.092
833 1HG LYS 48 1HG LYS 48 11.657 8.990 11.407
834 2HG LYS 48 2HG LYS 48 10.496 9.975 10.516
835 1HD LYS 48 1HD LYS 48 8.665 8.601 11.384
836 2HD LYS 48 2HD LYS 48 9.826 7.616 12.274
837 1HE LYS 48 1HE LYS 48 8.780 9.262 13.733
838 2HE LYS 48 2HE LYS 48 10.507 9.573 13.565
839 1HZ LYS 48 1HZ LYS 48 8.709 10.946 11.718
840 2HZ LYS 48 2HZ LYS 48 8.714 11.473 13.325
841 3HZ LYS 48 3HZ LYS 48 10.148 11.483 12.427
842 H GLN 49 H GLN 49 7.270 8.786 7.999
843 HA GLN 49 HA GLN 49 8.161 11.063 6.581
844 1HB GLN 49 1HB GLN 49 5.415 10.430 7.691
845 2HB GLN 49 2HB GLN 49 5.764 11.702 6.531
846 1HG GLN 49 1HG GLN 49 6.498 10.032 4.912
847 2HG GLN 49 2HG GLN 49 6.155 8.754 6.077
848 1HE2 GLN 49 2HE2 GLN 49 4.994 10.254 3.436
849 2HE2 GLN 49 1HE2 GLN 49 3.302 9.976 3.644
850 H LEU 50 H LEU 50 9.176 12.663 7.580
851 HA LEU 50 HA LEU 50 9.203 13.292 10.246
852 1HB LEU 50 1HB LEU 50 9.608 15.082 7.859
853 2HB LEU 50 2HB LEU 50 9.894 15.615 9.502
854 HG LEU 50 HG LEU 50 11.986 14.997 8.436
855 1HD1 LEU 50 1HD1 LEU 50 10.803 13.268 6.928
856 2HD1 LEU 50 2HD1 LEU 50 12.452 12.949 7.463
857 3HD1 LEU 50 3HD1 LEU 50 11.097 12.148 8.257
858 1HD2 LEU 50 1HD2 LEU 50 11.387 14.429 10.903
859 2HD2 LEU 50 2HD2 LEU 50 11.473 12.759 10.340
860 3HD2 LEU 50 3HD2 LEU 50 12.879 13.813 10.194
861 H GLU 51 H GLU 51 7.003 13.044 10.939
862 HA GLU 51 HA GLU 51 5.702 15.515 11.371
863 1HB GLU 51 1HB GLU 51 5.006 15.204 9.026
864 2HB GLU 51 2HB GLU 51 4.304 13.649 9.445
865 1HG GLU 51 1HG GLU 51 2.724 14.770 10.940
866 2HG GLU 51 2HG GLU 51 3.424 16.327 10.499
No H/Q in entry = 866
Start of MODEL 8
1 H1 GLY -1 H1 GLY -1 4.136 0.618 -17.887
2 H2 GLY -1 H2 GLY -1 5.803 0.521 -18.160
3 H3 GLY -1 H3 GLY -1 4.807 -0.797 -18.527
4 1HA GLY -1 1HA GLY -1 5.421 0.273 -15.828
5 2HA GLY -1 2HA GLY -1 5.969 -1.255 -16.494
6 H SER 0 H SER 0 5.011 -2.750 -15.256
7 HA SER 0 HA SER 0 2.228 -3.226 -15.524
8 1HB SER 0 1HB SER 0 4.242 -4.481 -13.645
9 2HB SER 0 2HB SER 0 2.625 -5.103 -13.967
10 HG SER 0 HG SER 0 3.356 -5.128 -16.252
11 H MET 1 H MET 1 2.317 -4.144 -12.524
12 HA MET 1 HA MET 1 0.820 -1.895 -11.551
13 1HB MET 1 1HB MET 1 0.109 -4.167 -11.026
14 2HB MET 1 2HB MET 1 1.633 -4.479 -10.207
15 1HG MET 1 1HG MET 1 1.091 -2.843 -8.510
16 2HG MET 1 2HG MET 1 -0.405 -2.437 -9.351
17 1HE MET 1 1HE MET 1 -0.194 -2.920 -6.504
18 2HE MET 1 2HE MET 1 -1.912 -3.127 -6.849
19 3HE MET 1 3HE MET 1 -1.051 -4.341 -5.902
20 H GLN 2 H GLN 2 3.086 -0.713 -11.976
21 HA GLN 2 HA GLN 2 5.053 -0.904 -9.958
22 1HB GLN 2 1HB GLN 2 5.849 1.261 -10.841
23 2HB GLN 2 2HB GLN 2 5.573 0.074 -12.103
24 1HG GLN 2 1HG GLN 2 3.404 1.135 -12.587
25 2HG GLN 2 2HG GLN 2 3.760 2.361 -11.375
26 1HE2 GLN 2 2HE2 GLN 2 6.633 1.557 -12.755
27 2HE2 GLN 2 1HE2 GLN 2 6.715 2.771 -13.979
28 H ILE 3 H ILE 3 4.679 -0.552 -7.901
29 HA ILE 3 HA ILE 3 2.608 1.171 -6.930
30 HB ILE 3 HB ILE 3 3.578 0.601 -4.682
31 1HG1 ILE 3 1HG1 ILE 3 5.395 -1.142 -6.351
32 2HG1 ILE 3 2HG1 ILE 3 5.896 0.250 -5.403
33 1HG2 ILE 3 1HG2 ILE 3 1.908 -0.796 -6.226
34 2HG2 ILE 3 2HG2 ILE 3 3.190 -1.991 -6.038
35 3HG2 ILE 3 3HG2 ILE 3 2.394 -1.322 -4.614
36 1HD1 ILE 3 1HD1 ILE 3 4.458 -1.662 -3.791
37 2HD1 ILE 3 2HD1 ILE 3 5.854 -2.389 -4.592
38 3HD1 ILE 3 3HD1 ILE 3 6.067 -0.970 -3.567
39 H PHE 4 H PHE 4 2.774 3.138 -5.945
40 HA PHE 4 HA PHE 4 5.240 4.615 -6.411
41 1HB PHE 4 1HB PHE 4 2.494 5.501 -5.503
42 2HB PHE 4 2HB PHE 4 3.861 6.591 -5.686
43 HD1 PHE 4 HD1 PHE 4 2.424 3.850 -7.787
44 HD2 PHE 4 HD2 PHE 4 3.628 7.924 -7.525
45 HE1 PHE 4 HE1 PHE 4 1.860 4.166 -10.160
46 HE2 PHE 4 HE2 PHE 4 3.065 8.247 -9.898
47 HZ PHE 4 HZ PHE 4 2.179 6.366 -11.219
48 H VAL 5 H VAL 5 6.636 5.204 -4.838
49 HA VAL 5 HA VAL 5 5.802 5.169 -2.050
50 HB VAL 5 HB VAL 5 6.462 2.904 -2.214
51 1HG1 VAL 5 1HG1 VAL 5 8.671 4.586 -1.063
52 2HG1 VAL 5 2HG1 VAL 5 7.319 3.830 -0.218
53 3HG1 VAL 5 3HG1 VAL 5 8.609 2.833 -0.890
54 1HG2 VAL 5 1HG2 VAL 5 8.621 3.958 -3.959
55 2HG2 VAL 5 2HG2 VAL 5 8.923 2.479 -3.047
56 3HG2 VAL 5 3HG2 VAL 5 7.570 2.558 -4.176
57 H LYS 6 H LYS 6 6.849 6.646 -0.842
58 HA LYS 6 HA LYS 6 8.973 8.178 -2.167
59 1HB LYS 6 1HB LYS 6 7.269 8.875 0.233
60 2HB LYS 6 2HB LYS 6 8.473 9.927 -0.498
61 1HG LYS 6 1HG LYS 6 7.177 9.973 -2.572
62 2HG LYS 6 2HG LYS 6 5.968 8.920 -1.833
63 1HD LYS 6 1HD LYS 6 6.733 11.662 -0.834
64 2HD LYS 6 2HD LYS 6 5.296 11.289 -1.788
65 1HE LYS 6 1HE LYS 6 4.511 9.796 -0.016
66 2HE LYS 6 2HE LYS 6 5.944 10.170 0.937
67 1HZ LYS 6 1HZ LYS 6 4.132 12.315 0.037
68 2HZ LYS 6 2HZ LYS 6 3.787 11.424 1.433
69 3HZ LYS 6 3HZ LYS 6 5.220 12.318 1.334
70 H THR 7 H THR 7 11.021 8.181 -1.419
71 HA THR 7 HA THR 7 11.818 6.305 0.552
72 HB THR 7 HB THR 7 14.073 7.293 0.324
73 HG1 THR 7 HG1 THR 7 12.611 9.267 -1.073
74 1HG2 THR 7 1HG2 THR 7 12.541 6.739 -2.208
75 2HG2 THR 7 2HG2 THR 7 14.290 6.957 -2.176
76 3HG2 THR 7 3HG2 THR 7 13.550 5.629 -1.281
77 H LEU 8 H LEU 8 13.843 7.815 1.911
78 HA LEU 8 HA LEU 8 12.161 9.005 3.961
79 1HB LEU 8 1HB LEU 8 15.133 8.477 3.980
80 2HB LEU 8 2HB LEU 8 14.177 9.010 5.350
81 HG LEU 8 HG LEU 8 12.839 6.794 4.920
82 1HD1 LEU 8 1HD1 LEU 8 15.340 7.346 6.367
83 2HD1 LEU 8 2HD1 LEU 8 13.801 6.715 6.953
84 3HD1 LEU 8 3HD1 LEU 8 14.947 5.640 6.152
85 1HD2 LEU 8 1HD2 LEU 8 15.203 6.525 3.191
86 2HD2 LEU 8 2HD2 LEU 8 14.859 5.143 4.232
87 3HD2 LEU 8 3HD2 LEU 8 13.633 5.726 3.105
88 H THR 9 H THR 9 14.945 9.903 1.945
89 HA THR 9 HA THR 9 15.022 12.596 2.874
90 HB THR 9 HB THR 9 17.035 11.626 1.965
91 HG1 THR 9 HG1 THR 9 17.621 13.385 0.801
92 1HG2 THR 9 1HG2 THR 9 15.466 11.361 -0.600
93 2HG2 THR 9 2HG2 THR 9 17.214 11.169 -0.482
94 3HG2 THR 9 3HG2 THR 9 16.146 10.057 0.374
95 H GLY 10 H GLY 10 13.716 11.053 -0.062
96 1HA GLY 10 1HA GLY 10 12.710 13.582 -1.050
97 2HA GLY 10 2HA GLY 10 11.472 12.517 -0.404
98 H LYS 11 H LYS 11 14.327 11.351 -2.063
99 HA LYS 11 HA LYS 11 13.580 11.267 -4.680
100 1HB LYS 11 1HB LYS 11 15.719 10.404 -3.560
101 2HB LYS 11 2HB LYS 11 14.856 8.894 -3.326
102 1HG LYS 11 1HG LYS 11 15.247 10.166 -6.021
103 2HG LYS 11 2HG LYS 11 16.363 8.991 -5.325
104 1HD LYS 11 1HD LYS 11 14.538 7.358 -5.180
105 2HD LYS 11 2HD LYS 11 13.440 8.532 -5.903
106 1HE LYS 11 1HE LYS 11 15.914 7.396 -7.198
107 2HE LYS 11 2HE LYS 11 14.253 6.927 -7.559
108 1HZ LYS 11 1HZ LYS 11 14.536 9.730 -7.776
109 2HZ LYS 11 2HZ LYS 11 15.714 8.969 -8.722
110 3HZ LYS 11 3HZ LYS 11 14.078 8.613 -8.960
111 H THR 12 H THR 12 11.994 10.379 -5.831
112 HA THR 12 HA THR 12 10.031 8.706 -4.527
113 HB THR 12 HB THR 12 10.118 9.701 -7.380
114 HG1 THR 12 HG1 THR 12 9.431 10.888 -4.996
115 1HG2 THR 12 1HG2 THR 12 8.183 8.074 -5.832
116 2HG2 THR 12 2HG2 THR 12 7.515 9.336 -6.866
117 3HG2 THR 12 3HG2 THR 12 8.535 8.075 -7.561
118 H ILE 13 H ILE 13 9.606 6.585 -4.896
119 HA ILE 13 HA ILE 13 11.380 5.175 -6.782
120 HB ILE 13 HB ILE 13 10.286 3.405 -4.793
121 1HG1 ILE 13 1HG1 ILE 13 12.020 5.641 -3.723
122 2HG1 ILE 13 2HG1 ILE 13 10.314 5.413 -3.352
123 1HG2 ILE 13 1HG2 ILE 13 12.988 4.155 -5.821
124 2HG2 ILE 13 2HG2 ILE 13 12.820 3.072 -4.437
125 3HG2 ILE 13 3HG2 ILE 13 12.103 2.637 -5.990
126 1HD1 ILE 13 1HD1 ILE 13 11.809 3.011 -2.825
127 2HD1 ILE 13 2HD1 ILE 13 12.487 4.390 -1.960
128 3HD1 ILE 13 3HD1 ILE 13 10.788 3.965 -1.747
129 H THR 14 H THR 14 10.519 3.703 -8.133
130 HA THR 14 HA THR 14 7.637 3.133 -7.932
131 HB THR 14 HB THR 14 9.052 3.477 -10.578
132 HG1 THR 14 HG1 THR 14 7.296 5.462 -9.805
133 1HG2 THR 14 1HG2 THR 14 6.948 2.169 -10.503
134 2HG2 THR 14 2HG2 THR 14 6.130 3.578 -9.826
135 3HG2 THR 14 3HG2 THR 14 6.802 3.646 -11.455
136 H LEU 15 H LEU 15 7.104 0.990 -8.279
137 HA LEU 15 HA LEU 15 9.021 -0.820 -9.462
138 1HB LEU 15 1HB LEU 15 10.021 -0.586 -7.329
139 2HB LEU 15 2HB LEU 15 8.484 -0.712 -6.505
140 HG LEU 15 HG LEU 15 9.618 -3.043 -8.019
141 1HD1 LEU 15 1HD1 LEU 15 10.151 -2.254 -5.156
142 2HD1 LEU 15 2HD1 LEU 15 10.609 -3.785 -5.902
143 3HD1 LEU 15 3HD1 LEU 15 11.336 -2.279 -6.462
144 1HD2 LEU 15 1HD2 LEU 15 7.361 -2.511 -6.238
145 2HD2 LEU 15 2HD2 LEU 15 7.613 -3.824 -7.390
146 3HD2 LEU 15 3HD2 LEU 15 8.319 -3.919 -5.777
147 H GLU 16 H GLU 16 7.895 -2.268 -10.571
148 HA GLU 16 HA GLU 16 5.087 -2.604 -10.238
149 1HB GLU 16 1HB GLU 16 5.294 -4.269 -12.047
150 2HB GLU 16 2HB GLU 16 6.082 -2.748 -12.441
151 1HG GLU 16 1HG GLU 16 8.249 -3.717 -11.888
152 2HG GLU 16 2HG GLU 16 7.464 -5.240 -11.471
153 H VAL 17 H VAL 17 3.914 -4.331 -9.497
154 HA VAL 17 HA VAL 17 5.173 -6.735 -8.530
155 HB VAL 17 HB VAL 17 4.027 -6.371 -6.219
156 1HG1 VAL 17 1HG1 VAL 17 3.129 -4.114 -7.080
157 2HG1 VAL 17 2HG1 VAL 17 3.764 -4.211 -5.437
158 3HG1 VAL 17 3HG1 VAL 17 4.750 -3.518 -6.725
159 1HG2 VAL 17 1HG2 VAL 17 6.647 -5.151 -7.028
160 2HG2 VAL 17 2HG2 VAL 17 6.132 -5.329 -5.352
161 3HG2 VAL 17 3HG2 VAL 17 6.355 -6.756 -6.361
162 H GLU 18 H GLU 18 3.767 -8.413 -8.366
163 HA GLU 18 HA GLU 18 1.212 -8.128 -9.577
164 1HB GLU 18 1HB GLU 18 2.372 -10.492 -8.093
165 2HB GLU 18 2HB GLU 18 0.976 -10.529 -9.163
166 1HG GLU 18 1HG GLU 18 3.776 -9.805 -9.997
167 2HG GLU 18 2HG GLU 18 3.024 -11.383 -10.220
168 HA PRO 19 HA PRO 19 -1.393 -7.141 -6.142
169 1HB PRO 19 1HB PRO 19 -3.590 -8.665 -6.864
170 2HB PRO 19 2HB PRO 19 -3.241 -7.046 -7.466
171 1HG PRO 19 1HG PRO 19 -2.717 -9.692 -8.736
172 2HG PRO 19 2HG PRO 19 -3.269 -8.181 -9.480
173 1HD PRO 19 1HD PRO 19 -0.729 -8.994 -9.709
174 2HD PRO 19 2HD PRO 19 -1.132 -7.275 -9.524
175 H SER 20 H SER 20 -1.179 -10.505 -7.167
176 HA SER 20 HA SER 20 -2.180 -11.676 -4.817
177 1HB SER 20 1HB SER 20 -2.018 -12.874 -6.944
178 2HB SER 20 2HB SER 20 -0.260 -12.796 -6.867
179 HG SER 20 HG SER 20 -0.778 -14.761 -6.053
180 H ASP 21 H ASP 21 0.993 -10.530 -5.725
181 HA ASP 21 HA ASP 21 2.563 -11.817 -3.824
182 1HB ASP 21 1HB ASP 21 2.844 -9.037 -4.986
183 2HB ASP 21 2HB ASP 21 4.094 -9.858 -4.059
184 H THR 22 H THR 22 2.805 -11.634 -1.685
185 HA THR 22 HA THR 22 0.949 -10.214 -0.123
186 HB THR 22 HB THR 22 2.322 -10.870 1.817
187 HG1 THR 22 HG1 THR 22 4.250 -12.027 1.438
188 1HG2 THR 22 1HG2 THR 22 0.951 -12.522 0.066
189 2HG2 THR 22 2HG2 THR 22 2.466 -13.376 0.358
190 3HG2 THR 22 3HG2 THR 22 1.436 -12.918 1.715
191 H ILE 23 H ILE 23 1.161 -8.441 1.224
192 HA ILE 23 HA ILE 23 2.473 -6.208 0.233
193 HB ILE 23 HB ILE 23 1.619 -6.683 3.093
194 1HG1 ILE 23 1HG1 ILE 23 0.107 -5.447 0.779
195 2HG1 ILE 23 2HG1 ILE 23 -0.188 -7.051 1.443
196 1HG2 ILE 23 1HG2 ILE 23 3.181 -4.723 2.537
197 2HG2 ILE 23 2HG2 ILE 23 1.787 -4.027 1.712
198 3HG2 ILE 23 3HG2 ILE 23 1.706 -4.377 3.439
199 1HD1 ILE 23 1HD1 ILE 23 -0.480 -5.651 3.675
200 2HD1 ILE 23 2HD1 ILE 23 -0.900 -4.391 2.515
201 3HD1 ILE 23 3HD1 ILE 23 -1.802 -5.906 2.536
202 H GLU 24 H GLU 24 3.525 -8.527 2.676
203 HA GLU 24 HA GLU 24 5.773 -7.117 3.593
204 1HB GLU 24 1HB GLU 24 6.570 -9.286 4.426
205 2HB GLU 24 2HB GLU 24 4.871 -9.035 4.798
206 1HG GLU 24 1HG GLU 24 4.256 -10.467 2.910
207 2HG GLU 24 2HG GLU 24 5.963 -10.729 2.562
208 H ASN 25 H ASN 25 5.266 -9.120 0.770
209 HA ASN 25 HA ASN 25 8.036 -9.408 0.123
210 1HB ASN 25 1HB ASN 25 5.543 -9.826 -1.529
211 2HB ASN 25 2HB ASN 25 7.168 -10.204 -2.085
212 1HD2 ASN 25 2HD2 ASN 25 7.187 -10.772 1.139
213 2HD2 ASN 25 1HD2 ASN 25 6.796 -12.452 1.142
214 H VAL 26 H VAL 26 5.414 -7.366 -1.186
215 HA VAL 26 HA VAL 26 6.921 -6.068 -3.133
216 HB VAL 26 HB VAL 26 5.268 -4.249 -3.022
217 1HG1 VAL 26 1HG1 VAL 26 4.874 -6.805 -3.845
218 2HG1 VAL 26 2HG1 VAL 26 3.498 -6.567 -2.769
219 3HG1 VAL 26 3HG1 VAL 26 3.753 -5.474 -4.130
220 1HG2 VAL 26 1HG2 VAL 26 5.036 -4.360 -0.509
221 2HG2 VAL 26 2HG2 VAL 26 3.542 -4.147 -1.421
222 3HG2 VAL 26 3HG2 VAL 26 3.958 -5.731 -0.765
223 H LYS 27 H LYS 27 6.459 -5.250 0.287
224 HA LYS 27 HA LYS 27 7.920 -2.822 0.198
225 1HB LYS 27 1HB LYS 27 7.409 -4.656 2.549
226 2HB LYS 27 2HB LYS 27 7.981 -2.998 2.652
227 1HG LYS 27 1HG LYS 27 5.870 -2.271 1.550
228 2HG LYS 27 2HG LYS 27 5.300 -3.936 1.664
229 1HD LYS 27 1HD LYS 27 6.069 -2.154 3.974
230 2HD LYS 27 2HD LYS 27 4.430 -2.597 3.502
231 1HE LYS 27 1HE LYS 27 5.003 -4.972 3.918
232 2HE LYS 27 2HE LYS 27 6.583 -4.452 4.499
233 1HZ LYS 27 1HZ LYS 27 4.850 -2.932 5.930
234 2HZ LYS 27 2HZ LYS 27 4.051 -4.419 5.840
235 3HZ LYS 27 3HZ LYS 27 5.613 -4.337 6.482
236 H ALA 28 H ALA 28 8.798 -6.169 0.810
237 HA ALA 28 HA ALA 28 11.363 -5.874 1.802
238 1HB ALA 28 1HB ALA 28 10.703 -8.034 -0.166
239 2HB ALA 28 2HB ALA 28 11.712 -8.113 1.278
240 3HB ALA 28 3HB ALA 28 9.960 -8.001 1.434
241 H LYS 29 H LYS 29 10.231 -5.693 -1.530
242 HA LYS 29 HA LYS 29 12.806 -5.654 -2.736
243 1HB LYS 29 1HB LYS 29 10.290 -4.423 -3.867
244 2HB LYS 29 2HB LYS 29 11.670 -5.056 -4.751
245 1HG LYS 29 1HG LYS 29 11.106 -7.318 -3.991
246 2HG LYS 29 2HG LYS 29 9.704 -6.663 -3.140
247 1HD LYS 29 1HD LYS 29 8.779 -5.874 -5.258
248 2HD LYS 29 2HD LYS 29 10.186 -6.503 -6.114
249 1HE LYS 29 1HE LYS 29 9.617 -8.767 -5.396
250 2HE LYS 29 2HE LYS 29 8.217 -8.142 -4.524
251 1HZ LYS 29 1HZ LYS 29 8.149 -7.250 -7.199
252 2HZ LYS 29 2HZ LYS 29 8.342 -8.929 -7.180
253 3HZ LYS 29 3HZ LYS 29 7.034 -8.219 -6.376
254 H ILE 30 H ILE 30 10.527 -3.176 -1.671
255 HA ILE 30 HA ILE 30 11.910 -0.933 -2.601
256 HB ILE 30 HB ILE 30 10.218 -1.166 -0.106
257 1HG1 ILE 30 1HG1 ILE 30 9.497 -0.358 -2.934
258 2HG1 ILE 30 2HG1 ILE 30 9.030 -1.857 -2.141
259 1HG2 ILE 30 1HG2 ILE 30 11.143 1.237 -1.684
260 2HG2 ILE 30 2HG2 ILE 30 9.887 1.286 -0.444
261 3HG2 ILE 30 3HG2 ILE 30 11.536 0.841 -0.010
262 1HD1 ILE 30 1HD1 ILE 30 8.250 0.806 -1.022
263 2HD1 ILE 30 2HD1 ILE 30 7.305 0.009 -2.281
264 3HD1 ILE 30 3HD1 ILE 30 7.535 -0.777 -0.720
265 H GLN 31 H GLN 31 12.418 -3.025 0.140
266 HA GLN 31 HA GLN 31 14.165 -1.410 1.650
267 1HB GLN 31 1HB GLN 31 14.327 -4.416 1.347
268 2HB GLN 31 2HB GLN 31 14.891 -3.455 2.704
269 1HG GLN 31 1HG GLN 31 12.628 -2.912 3.317
270 2HG GLN 31 2HG GLN 31 12.010 -3.744 1.895
271 1HE2 GLN 31 2HE2 GLN 31 14.638 -5.411 3.072
272 2HE2 GLN 31 1HE2 GLN 31 13.806 -6.587 4.023
273 H ASP 32 H ASP 32 14.617 -3.717 -0.972
274 HA ASP 32 HA ASP 32 17.425 -3.483 -1.166
275 1HB ASP 32 1HB ASP 32 15.380 -4.282 -3.249
276 2HB ASP 32 2HB ASP 32 17.119 -4.480 -3.424
277 H LYS 33 H LYS 33 14.694 -1.823 -2.532
278 HA LYS 33 HA LYS 33 15.986 -0.237 -4.445
279 1HB LYS 33 1HB LYS 33 13.434 0.106 -2.876
280 2HB LYS 33 2HB LYS 33 13.947 1.267 -4.096
281 1HG LYS 33 1HG LYS 33 13.432 -1.662 -4.574
282 2HG LYS 33 2HG LYS 33 12.319 -0.349 -4.955
283 1HD LYS 33 1HD LYS 33 13.989 0.604 -6.488
284 2HD LYS 33 2HD LYS 33 15.071 -0.744 -6.127
285 1HE LYS 33 1HE LYS 33 13.408 -2.308 -7.008
286 2HE LYS 33 2HE LYS 33 12.334 -0.961 -7.372
287 1HZ LYS 33 1HZ LYS 33 14.981 -0.705 -8.490
288 2HZ LYS 33 2HZ LYS 33 14.103 -2.017 -9.096
289 3HZ LYS 33 3HZ LYS 33 13.473 -0.451 -9.211
290 H GLU 34 H GLU 34 15.677 0.030 -0.995
291 HA GLU 34 HA GLU 34 17.542 2.268 -0.996
292 1HB GLU 34 1HB GLU 34 14.878 2.365 0.432
293 2HB GLU 34 2HB GLU 34 16.178 3.523 0.656
294 1HG GLU 34 1HG GLU 34 14.742 3.017 -1.939
295 2HG GLU 34 2HG GLU 34 14.406 4.344 -0.829
296 H GLY 35 H GLY 35 15.496 1.143 1.664
297 1HA GLY 35 1HA GLY 35 17.887 0.473 3.176
298 2HA GLY 35 2HA GLY 35 16.825 -0.875 2.809
299 H ILE 36 H ILE 36 14.333 0.364 3.108
300 HA ILE 36 HA ILE 36 14.373 1.152 5.936
301 HB ILE 36 HB ILE 36 11.857 1.795 5.081
302 1HG1 ILE 36 1HG1 ILE 36 12.194 3.161 3.018
303 2HG1 ILE 36 2HG1 ILE 36 13.798 2.456 2.851
304 1HG2 ILE 36 1HG2 ILE 36 14.309 3.182 5.798
305 2HG2 ILE 36 2HG2 ILE 36 13.244 4.145 4.774
306 3HG2 ILE 36 3HG2 ILE 36 12.644 3.484 6.295
307 1HD1 ILE 36 1HD1 ILE 36 12.396 0.209 2.941
308 2HD1 ILE 36 2HD1 ILE 36 11.144 1.280 2.314
309 3HD1 ILE 36 3HD1 ILE 36 12.669 1.101 1.445
310 HA PRO 37 HA PRO 37 12.661 -2.815 7.030
311 1HB PRO 37 1HB PRO 37 11.325 -0.950 8.962
312 2HB PRO 37 2HB PRO 37 12.037 -2.541 9.264
313 1HG PRO 37 1HG PRO 37 13.379 -0.341 9.891
314 2HG PRO 37 2HG PRO 37 14.216 -1.717 9.153
315 1HD PRO 37 1HD PRO 37 13.476 0.899 7.966
316 2HD PRO 37 2HD PRO 37 14.823 -0.180 7.568
317 HA PRO 38 HA PRO 38 8.788 -2.804 4.864
318 1HB PRO 38 1HB PRO 38 7.658 -4.982 6.173
319 2HB PRO 38 2HB PRO 38 8.710 -5.069 4.760
320 1HG PRO 38 1HG PRO 38 9.359 -5.484 7.634
321 2HG PRO 38 2HG PRO 38 10.014 -6.296 6.201
322 1HD PRO 38 1HD PRO 38 11.393 -4.406 7.542
323 2HD PRO 38 2HD PRO 38 11.532 -4.611 5.785
324 H ASP 39 H ASP 39 8.832 -3.100 8.385
325 HA ASP 39 HA ASP 39 6.125 -2.451 8.830
326 1HB ASP 39 1HB ASP 39 8.523 -2.057 10.636
327 2HB ASP 39 2HB ASP 39 6.842 -1.965 11.148
328 H GLN 40 H GLN 40 9.046 -0.484 8.564
329 HA GLN 40 HA GLN 40 7.960 1.955 9.380
330 1HB GLN 40 1HB GLN 40 10.218 1.338 7.479
331 2HB GLN 40 2HB GLN 40 9.820 2.968 8.006
332 1HG GLN 40 1HG GLN 40 10.197 2.275 10.338
333 2HG GLN 40 2HG GLN 40 10.672 0.679 9.763
334 1HE2 GLN 40 2HE2 GLN 40 11.813 2.435 7.376
335 2HE2 GLN 40 1HE2 GLN 40 13.375 2.855 7.981
336 H GLN 41 H GLN 41 8.015 0.411 6.203
337 HA GLN 41 HA GLN 41 7.055 2.582 4.709
338 1HB GLN 41 1HB GLN 41 6.693 -0.384 4.256
339 2HB GLN 41 2HB GLN 41 6.371 0.863 3.058
340 1HG GLN 41 1HG GLN 41 8.679 1.488 2.993
341 2HG GLN 41 2HG GLN 41 9.053 0.423 4.347
342 1HE2 GLN 41 2HE2 GLN 41 10.131 -1.279 3.712
343 2HE2 GLN 41 1HE2 GLN 41 9.876 -2.170 2.254
344 H ARG 42 H ARG 42 5.183 3.605 4.827
345 HA ARG 42 HA ARG 42 2.952 2.392 6.206
346 1HB ARG 42 1HB ARG 42 3.591 4.675 6.792
347 2HB ARG 42 2HB ARG 42 3.327 5.186 5.133
348 1HG ARG 42 1HG ARG 42 1.467 5.857 6.505
349 2HG ARG 42 2HG ARG 42 0.945 4.623 5.356
350 1HD ARG 42 1HD ARG 42 0.004 4.212 7.566
351 2HD ARG 42 2HD ARG 42 1.108 2.921 7.098
352 HE ARG 42 HE ARG 42 2.541 4.819 8.571
353 1HH1 ARG 42 1HH1 ARG 42 0.003 2.473 9.028
354 2HH1 ARG 42 2HH1 ARG 42 0.386 2.195 10.693
355 1HH2 ARG 42 1HH2 ARG 42 3.050 4.456 10.762
356 2HH2 ARG 42 2HH2 ARG 42 2.116 3.322 11.679
357 H LEU 43 H LEU 43 1.194 1.566 5.237
358 HA LEU 43 HA LEU 43 1.082 1.539 2.356
359 1HB LEU 43 1HB LEU 43 -0.885 0.403 4.342
360 2HB LEU 43 2HB LEU 43 -0.850 0.074 2.622
361 HG LEU 43 HG LEU 43 1.094 -0.840 4.724
362 1HD1 LEU 43 1HD1 LEU 43 2.308 0.025 2.719
363 2HD1 LEU 43 2HD1 LEU 43 2.530 -1.700 3.014
364 3HD1 LEU 43 3HD1 LEU 43 1.430 -1.156 1.747
365 1HD2 LEU 43 1HD2 LEU 43 -0.815 -2.152 2.829
366 2HD2 LEU 43 2HD2 LEU 43 0.552 -3.035 3.507
367 3HD2 LEU 43 3HD2 LEU 43 -0.670 -2.347 4.576
368 H ILE 44 H ILE 44 -0.272 2.612 1.053
369 HA ILE 44 HA ILE 44 -2.485 4.136 2.186
370 HB ILE 44 HB ILE 44 -0.329 5.405 0.494
371 1HG1 ILE 44 1HG1 ILE 44 -1.225 5.955 3.332
372 2HG1 ILE 44 2HG1 ILE 44 0.261 5.130 2.875
373 1HG2 ILE 44 1HG2 ILE 44 -3.117 6.124 0.998
374 2HG2 ILE 44 2HG2 ILE 44 -1.973 7.419 1.347
375 3HG2 ILE 44 3HG2 ILE 44 -2.009 6.683 -0.255
376 1HD1 ILE 44 1HD1 ILE 44 -0.247 7.866 1.835
377 2HD1 ILE 44 2HD1 ILE 44 0.273 7.653 3.507
378 3HD1 ILE 44 3HD1 ILE 44 1.279 7.053 2.187
379 H PHE 45 H PHE 45 -4.234 3.913 0.960
380 HA PHE 45 HA PHE 45 -3.875 3.017 -1.823
381 1HB PHE 45 1HB PHE 45 -6.189 2.414 0.030
382 2HB PHE 45 2HB PHE 45 -5.959 1.777 -1.595
383 HD1 PHE 45 HD1 PHE 45 -5.213 -0.377 -1.739
384 HD2 PHE 45 HD2 PHE 45 -4.051 1.966 1.617
385 HE1 PHE 45 HE1 PHE 45 -4.026 -2.315 -0.798
386 HE2 PHE 45 HE2 PHE 45 -2.857 0.033 2.559
387 HZ PHE 45 HZ PHE 45 -2.844 -2.112 1.351
388 H ALA 46 H ALA 46 -5.096 3.968 -3.452
389 HA ALA 46 HA ALA 46 -7.074 5.985 -2.676
390 1HB ALA 46 1HB ALA 46 -5.998 7.805 -3.469
391 2HB ALA 46 2HB ALA 46 -5.165 6.901 -4.734
392 3HB ALA 46 3HB ALA 46 -4.570 6.849 -3.075
393 H GLY 47 H GLY 47 -8.825 5.772 -3.889
394 1HA GLY 47 1HA GLY 47 -10.224 5.160 -5.601
395 2HA GLY 47 2HA GLY 47 -8.997 3.996 -6.069
396 H LYS 48 H LYS 48 -8.993 4.254 -8.244
397 HA LYS 48 HA LYS 48 -7.730 6.615 -9.299
398 1HB LYS 48 1HB LYS 48 -7.237 4.329 -10.142
399 2HB LYS 48 2HB LYS 48 -8.874 4.243 -10.778
400 1HG LYS 48 1HG LYS 48 -7.269 4.796 -12.521
401 2HG LYS 48 2HG LYS 48 -8.413 6.115 -12.262
402 1HD LYS 48 1HD LYS 48 -6.745 7.272 -10.875
403 2HD LYS 48 2HD LYS 48 -5.600 5.962 -11.177
404 1HE LYS 48 1HE LYS 48 -5.599 6.457 -13.541
405 2HE LYS 48 2HE LYS 48 -6.840 7.689 -13.315
406 1HZ LYS 48 1HZ LYS 48 -4.339 7.932 -11.807
407 2HZ LYS 48 2HZ LYS 48 -4.325 8.326 -13.451
408 3HZ LYS 48 3HZ LYS 48 -5.364 9.143 -12.396
409 H GLN 49 H GLN 49 -9.443 8.054 -8.554
410 HA GLN 49 HA GLN 49 -12.010 8.024 -9.756
411 1HB GLN 49 1HB GLN 49 -11.657 9.243 -7.695
412 2HB GLN 49 2HB GLN 49 -10.430 10.246 -8.454
413 1HG GLN 49 1HG GLN 49 -12.107 11.240 -9.897
414 2HG GLN 49 2HG GLN 49 -13.347 10.216 -9.178
415 1HE2 GLN 49 2HE2 GLN 49 -12.075 13.216 -9.155
416 2HE2 GLN 49 1HE2 GLN 49 -12.525 13.725 -7.567
417 H LEU 50 H LEU 50 -11.742 7.743 -11.934
418 HA LEU 50 HA LEU 50 -10.042 8.908 -13.702
419 1HB LEU 50 1HB LEU 50 -12.975 8.414 -14.207
420 2HB LEU 50 2HB LEU 50 -11.707 8.492 -15.417
421 HG LEU 50 HG LEU 50 -11.734 6.435 -13.217
422 1HD1 LEU 50 1HD1 LEU 50 -10.010 7.052 -15.517
423 2HD1 LEU 50 2HD1 LEU 50 -9.629 6.256 -13.989
424 3HD1 LEU 50 3HD1 LEU 50 -10.401 5.348 -15.290
425 1HD2 LEU 50 1HD2 LEU 50 -13.400 6.591 -15.565
426 2HD2 LEU 50 2HD2 LEU 50 -12.362 5.166 -15.603
427 3HD2 LEU 50 3HD2 LEU 50 -13.435 5.439 -14.229
428 H GLU 51 H GLU 51 -9.643 11.016 -12.841
429 HA GLU 51 HA GLU 51 -11.580 13.078 -12.793
430 1HB GLU 51 1HB GLU 51 -9.490 13.191 -11.527
431 2HB GLU 51 2HB GLU 51 -8.569 13.240 -13.022
432 1HG GLU 51 1HG GLU 51 -9.594 15.388 -13.579
433 2HG GLU 51 2HG GLU 51 -10.503 15.339 -12.071
434 H1 GLY -1 H1 GLY -1 -3.739 0.635 17.798
435 H2 GLY -1 H2 GLY -1 -5.398 0.550 18.120
436 H3 GLY -1 H3 GLY -1 -4.401 -0.773 18.460
437 1HA GLY -1 1HA GLY -1 -5.080 0.298 15.778
438 2HA GLY -1 2HA GLY -1 -5.629 -1.223 16.462
439 H SER 0 H SER 0 -4.725 -2.723 15.186
440 HA SER 0 HA SER 0 -1.945 -3.246 15.387
441 1HB SER 0 1HB SER 0 -4.019 -4.456 13.545
442 2HB SER 0 2HB SER 0 -2.406 -5.106 13.825
443 HG SER 0 HG SER 0 -3.104 -5.101 16.137
444 H MET 1 H MET 1 -2.178 -4.120 12.346
445 HA MET 1 HA MET 1 -0.651 -1.878 11.389
446 1HB MET 1 1HB MET 1 0.028 -4.152 10.822
447 2HB MET 1 2HB MET 1 -1.512 -4.434 10.022
448 1HG MET 1 1HG MET 1 -0.975 -2.775 8.343
449 2HG MET 1 2HG MET 1 0.542 -2.408 9.164
450 1HE MET 1 1HE MET 1 0.257 -2.859 6.301
451 2HE MET 1 2HE MET 1 1.978 -3.074 6.620
452 3HE MET 1 3HE MET 1 1.099 -4.276 5.673
453 H GLN 2 H GLN 2 -2.982 -0.780 11.931
454 HA GLN 2 HA GLN 2 -4.967 -0.893 9.947
455 1HB GLN 2 1HB GLN 2 -5.783 1.200 10.900
456 2HB GLN 2 2HB GLN 2 -5.343 0.072 12.169
457 1HG GLN 2 1HG GLN 2 -3.204 1.260 12.448
458 2HG GLN 2 2HG GLN 2 -3.723 2.423 11.230
459 1HE2 GLN 2 2HE2 GLN 2 -6.450 1.561 12.814
460 2HE2 GLN 2 1HE2 GLN 2 -6.494 2.797 14.019
461 H ILE 3 H ILE 3 -4.642 -0.516 7.881
462 HA ILE 3 HA ILE 3 -2.553 1.209 6.935
463 HB ILE 3 HB ILE 3 -3.486 0.630 4.670
464 1HG1 ILE 3 1HG1 ILE 3 -5.260 -1.173 6.326
465 2HG1 ILE 3 2HG1 ILE 3 -5.793 0.170 5.321
466 1HG2 ILE 3 1HG2 ILE 3 -1.769 -0.687 6.219
467 2HG2 ILE 3 2HG2 ILE 3 -3.002 -1.938 6.053
468 3HG2 ILE 3 3HG2 ILE 3 -2.237 -1.257 4.616
469 1HD1 ILE 3 1HD1 ILE 3 -4.205 -1.723 3.822
470 2HD1 ILE 3 2HD1 ILE 3 -5.612 -2.480 4.575
471 3HD1 ILE 3 3HD1 ILE 3 -5.823 -1.096 3.501
472 H PHE 4 H PHE 4 -2.705 3.155 5.939
473 HA PHE 4 HA PHE 4 -5.165 4.647 6.381
474 1HB PHE 4 1HB PHE 4 -2.421 5.518 5.444
475 2HB PHE 4 2HB PHE 4 -3.781 6.609 5.663
476 HD1 PHE 4 HD1 PHE 4 -2.306 3.853 7.715
477 HD2 PHE 4 HD2 PHE 4 -3.502 7.930 7.500
478 HE1 PHE 4 HE1 PHE 4 -1.687 4.155 10.076
479 HE2 PHE 4 HE2 PHE 4 -2.884 8.242 9.860
480 HZ PHE 4 HZ PHE 4 -1.974 6.352 11.152
481 H VAL 5 H VAL 5 -6.571 5.175 4.802
482 HA VAL 5 HA VAL 5 -5.712 5.202 2.027
483 HB VAL 5 HB VAL 5 -6.289 2.932 2.087
484 1HG1 VAL 5 1HG1 VAL 5 -8.576 4.581 1.059
485 2HG1 VAL 5 2HG1 VAL 5 -7.255 3.841 0.156
486 3HG1 VAL 5 3HG1 VAL 5 -8.517 2.829 0.859
487 1HG2 VAL 5 1HG2 VAL 5 -8.425 3.798 3.954
488 2HG2 VAL 5 2HG2 VAL 5 -8.702 2.355 2.979
489 3HG2 VAL 5 3HG2 VAL 5 -7.310 2.436 4.059
490 H LYS 6 H LYS 6 -6.717 6.732 0.894
491 HA LYS 6 HA LYS 6 -8.882 8.199 2.194
492 1HB LYS 6 1HB LYS 6 -7.253 8.868 -0.268
493 2HB LYS 6 2HB LYS 6 -8.452 9.919 0.474
494 1HG LYS 6 1HG LYS 6 -7.105 10.036 2.506
495 2HG LYS 6 2HG LYS 6 -5.906 8.968 1.773
496 1HD LYS 6 1HD LYS 6 -6.703 11.681 0.717
497 2HD LYS 6 2HD LYS 6 -5.246 11.336 1.651
498 1HE LYS 6 1HE LYS 6 -4.489 9.804 -0.102
499 2HE LYS 6 2HE LYS 6 -5.942 10.155 -1.035
500 1HZ LYS 6 1HZ LYS 6 -4.108 12.317 -0.213
501 2HZ LYS 6 2HZ LYS 6 -3.806 11.408 -1.606
502 3HZ LYS 6 3HZ LYS 6 -5.234 12.305 -1.477
503 H THR 7 H THR 7 -10.946 8.175 1.499
504 HA THR 7 HA THR 7 -11.768 6.236 -0.401
505 HB THR 7 HB THR 7 -14.037 7.182 -0.105
506 HG1 THR 7 HG1 THR 7 -12.552 9.213 1.149
507 1HG2 THR 7 1HG2 THR 7 -12.391 6.651 2.360
508 2HG2 THR 7 2HG2 THR 7 -14.143 6.845 2.407
509 3HG2 THR 7 3HG2 THR 7 -13.427 5.529 1.477
510 H LEU 8 H LEU 8 -13.884 7.666 -1.681
511 HA LEU 8 HA LEU 8 -12.388 8.761 -3.905
512 1HB LEU 8 1HB LEU 8 -15.346 8.277 -3.550
513 2HB LEU 8 2HB LEU 8 -14.576 8.775 -5.044
514 HG LEU 8 HG LEU 8 -13.344 6.372 -4.002
515 1HD1 LEU 8 1HD1 LEU 8 -14.625 7.296 -6.537
516 2HD1 LEU 8 2HD1 LEU 8 -12.955 6.821 -6.232
517 3HD1 LEU 8 3HD1 LEU 8 -14.220 5.594 -6.317
518 1HD2 LEU 8 1HD2 LEU 8 -16.209 6.540 -3.748
519 2HD2 LEU 8 2HD2 LEU 8 -15.741 5.287 -4.896
520 3HD2 LEU 8 3HD2 LEU 8 -15.106 5.258 -3.251
521 H THR 9 H THR 9 -14.998 9.841 -1.740
522 HA THR 9 HA THR 9 -15.015 12.499 -2.787
523 HB THR 9 HB THR 9 -17.046 11.637 -1.817
524 HG1 THR 9 HG1 THR 9 -17.543 13.432 -0.621
525 1HG2 THR 9 1HG2 THR 9 -15.460 11.407 0.742
526 2HG2 THR 9 2HG2 THR 9 -17.213 11.246 0.634
527 3HG2 THR 9 3HG2 THR 9 -16.168 10.088 -0.191
528 H GLY 10 H GLY 10 -13.724 11.025 0.187
529 1HA GLY 10 1HA GLY 10 -12.633 13.549 1.081
530 2HA GLY 10 2HA GLY 10 -11.430 12.439 0.442
531 H LYS 11 H LYS 11 -14.281 11.368 2.159
532 HA LYS 11 HA LYS 11 -13.511 11.326 4.772
533 1HB LYS 11 1HB LYS 11 -15.679 10.493 3.708
534 2HB LYS 11 2HB LYS 11 -14.854 8.965 3.459
535 1HG LYS 11 1HG LYS 11 -15.143 10.240 6.163
536 2HG LYS 11 2HG LYS 11 -16.325 9.116 5.492
537 1HD LYS 11 1HD LYS 11 -14.583 7.406 5.298
538 2HD LYS 11 2HD LYS 11 -13.407 8.531 5.980
539 1HE LYS 11 1HE LYS 11 -15.883 7.506 7.363
540 2HE LYS 11 2HE LYS 11 -14.233 6.966 7.667
541 1HZ LYS 11 1HZ LYS 11 -14.402 9.782 7.883
542 2HZ LYS 11 2HZ LYS 11 -15.557 9.060 8.886
543 3HZ LYS 11 3HZ LYS 11 -13.923 8.652 9.047
544 H THR 12 H THR 12 -11.953 10.411 5.937
545 HA THR 12 HA THR 12 -10.027 8.678 4.647
546 HB THR 12 HB THR 12 -10.059 9.679 7.494
547 HG1 THR 12 HG1 THR 12 -9.309 10.859 5.078
548 1HG2 THR 12 1HG2 THR 12 -8.156 8.096 5.870
549 2HG2 THR 12 2HG2 THR 12 -7.464 9.364 6.882
550 3HG2 THR 12 3HG2 THR 12 -8.440 8.089 7.612
551 H ILE 13 H ILE 13 -9.593 6.567 5.125
552 HA ILE 13 HA ILE 13 -11.202 5.272 7.205
553 HB ILE 13 HB ILE 13 -11.385 3.276 5.599
554 1HG1 ILE 13 1HG1 ILE 13 -11.013 5.507 3.588
555 2HG1 ILE 13 2HG1 ILE 13 -9.860 4.214 3.883
556 1HG2 ILE 13 1HG2 ILE 13 -12.966 5.757 5.733
557 2HG2 ILE 13 2HG2 ILE 13 -13.351 4.662 4.405
558 3HG2 ILE 13 3HG2 ILE 13 -13.432 4.089 6.071
559 1HD1 ILE 13 1HD1 ILE 13 -11.882 2.671 3.315
560 2HD1 ILE 13 2HD1 ILE 13 -12.500 4.119 2.521
561 3HD1 ILE 13 3HD1 ILE 13 -10.949 3.439 2.030
562 H THR 14 H THR 14 -10.232 3.643 8.299
563 HA THR 14 HA THR 14 -7.573 2.744 7.434
564 HB THR 14 HB THR 14 -8.078 3.544 10.295
565 HG1 THR 14 HG1 THR 14 -7.072 5.527 9.788
566 1HG2 THR 14 1HG2 THR 14 -6.164 2.010 9.543
567 2HG2 THR 14 2HG2 THR 14 -5.468 3.462 8.820
568 3HG2 THR 14 3HG2 THR 14 -5.761 3.395 10.557
569 H LEU 15 H LEU 15 -7.068 0.647 8.031
570 HA LEU 15 HA LEU 15 -8.723 -0.765 9.944
571 1HB LEU 15 1HB LEU 15 -9.491 -2.472 8.440
572 2HB LEU 15 2HB LEU 15 -10.020 -0.911 7.847
573 HG LEU 15 HG LEU 15 -7.477 -1.693 6.691
574 1HD1 LEU 15 1HD1 LEU 15 -9.796 -0.238 6.025
575 2HD1 LEU 15 2HD1 LEU 15 -8.293 -0.382 5.111
576 3HD1 LEU 15 3HD1 LEU 15 -9.615 -1.515 4.823
577 1HD2 LEU 15 1HD2 LEU 15 -8.644 -3.930 7.137
578 2HD2 LEU 15 2HD2 LEU 15 -9.776 -3.427 5.882
579 3HD2 LEU 15 3HD2 LEU 15 -8.061 -3.601 5.505
580 H GLU 16 H GLU 16 -7.641 -2.365 10.927
581 HA GLU 16 HA GLU 16 -4.860 -2.684 10.446
582 1HB GLU 16 1HB GLU 16 -4.960 -4.341 12.261
583 2HB GLU 16 2HB GLU 16 -5.787 -2.850 12.691
584 1HG GLU 16 1HG GLU 16 -7.937 -3.905 12.165
585 2HG GLU 16 2HG GLU 16 -7.093 -5.405 11.778
586 H VAL 17 H VAL 17 -3.727 -4.332 9.534
587 HA VAL 17 HA VAL 17 -5.032 -6.751 8.620
588 HB VAL 17 HB VAL 17 -4.156 -6.413 6.261
589 1HG1 VAL 17 1HG1 VAL 17 -6.586 -6.030 7.230
590 2HG1 VAL 17 2HG1 VAL 17 -6.255 -4.370 6.741
591 3HG1 VAL 17 3HG1 VAL 17 -6.191 -5.668 5.549
592 1HG2 VAL 17 1HG2 VAL 17 -3.315 -3.949 7.460
593 2HG2 VAL 17 2HG2 VAL 17 -2.950 -4.595 5.859
594 3HG2 VAL 17 3HG2 VAL 17 -4.402 -3.626 6.106
595 H GLU 18 H GLU 18 -3.629 -8.428 8.466
596 HA GLU 18 HA GLU 18 -1.011 -8.112 9.520
597 1HB GLU 18 1HB GLU 18 -2.175 -10.521 8.116
598 2HB GLU 18 2HB GLU 18 -0.790 -10.505 9.200
599 1HG GLU 18 1HG GLU 18 -3.605 -9.792 9.990
600 2HG GLU 18 2HG GLU 18 -2.846 -11.362 10.251
601 HA PRO 19 HA PRO 19 1.414 -7.182 5.939
602 1HB PRO 19 1HB PRO 19 3.650 -8.681 6.566
603 2HB PRO 19 2HB PRO 19 3.320 -7.062 7.177
604 1HG PRO 19 1HG PRO 19 2.859 -9.706 8.481
605 2HG PRO 19 2HG PRO 19 3.465 -8.199 9.187
606 1HD PRO 19 1HD PRO 19 0.935 -8.982 9.564
607 2HD PRO 19 2HD PRO 19 1.337 -7.268 9.332
608 H SER 20 H SER 20 1.206 -10.520 7.024
609 HA SER 20 HA SER 20 2.133 -11.747 4.677
610 1HB SER 20 1HB SER 20 2.002 -12.905 6.828
611 2HB SER 20 2HB SER 20 0.244 -12.803 6.788
612 HG SER 20 HG SER 20 0.803 -14.808 6.023
613 H ASP 21 H ASP 21 -1.006 -10.528 5.618
614 HA ASP 21 HA ASP 21 -2.611 -11.835 3.749
615 1HB ASP 21 1HB ASP 21 -2.845 -9.091 4.989
616 2HB ASP 21 2HB ASP 21 -4.083 -9.779 3.948
617 H THR 22 H THR 22 -2.867 -11.669 1.616
618 HA THR 22 HA THR 22 -1.028 -10.263 0.025
619 HB THR 22 HB THR 22 -2.450 -10.908 -1.892
620 HG1 THR 22 HG1 THR 22 -4.360 -12.089 -1.458
621 1HG2 THR 22 1HG2 THR 22 -1.032 -12.560 -0.175
622 2HG2 THR 22 2HG2 THR 22 -2.549 -13.419 -0.441
623 3HG2 THR 22 3HG2 THR 22 -1.549 -12.950 -1.816
624 H ILE 23 H ILE 23 -1.248 -8.482 -1.313
625 HA ILE 23 HA ILE 23 -2.524 -6.243 -0.308
626 HB ILE 23 HB ILE 23 -1.759 -6.736 -3.189
627 1HG1 ILE 23 1HG1 ILE 23 -0.175 -5.493 -0.928
628 2HG1 ILE 23 2HG1 ILE 23 0.098 -7.100 -1.594
629 1HG2 ILE 23 1HG2 ILE 23 -3.299 -4.771 -2.603
630 2HG2 ILE 23 2HG2 ILE 23 -1.884 -4.074 -1.814
631 3HG2 ILE 23 3HG2 ILE 23 -1.845 -4.429 -3.541
632 1HD1 ILE 23 1HD1 ILE 23 0.327 -5.712 -3.839
633 2HD1 ILE 23 2HD1 ILE 23 0.779 -4.445 -2.701
634 3HD1 ILE 23 3HD1 ILE 23 1.681 -5.959 -2.737
635 H GLU 24 H GLU 24 -3.670 -8.576 -2.689
636 HA GLU 24 HA GLU 24 -5.937 -7.161 -3.553
637 1HB GLU 24 1HB GLU 24 -6.779 -9.363 -4.304
638 2HB GLU 24 2HB GLU 24 -5.116 -9.071 -4.791
639 1HG GLU 24 1HG GLU 24 -4.324 -10.478 -2.968
640 2HG GLU 24 2HG GLU 24 -5.987 -10.757 -2.455
641 H ASN 25 H ASN 25 -5.363 -9.168 -0.742
642 HA ASN 25 HA ASN 25 -8.106 -9.439 -0.009
643 1HB ASN 25 1HB ASN 25 -5.569 -9.829 1.586
644 2HB ASN 25 2HB ASN 25 -7.178 -10.219 2.178
645 1HD2 ASN 25 2HD2 ASN 25 -7.274 -10.809 -1.037
646 2HD2 ASN 25 1HD2 ASN 25 -6.864 -12.485 -1.041
647 H VAL 26 H VAL 26 -5.455 -7.374 1.201
648 HA VAL 26 HA VAL 26 -6.921 -6.059 3.173
649 HB VAL 26 HB VAL 26 -5.267 -4.236 2.999
650 1HG1 VAL 26 1HG1 VAL 26 -4.884 -6.773 3.886
651 2HG1 VAL 26 2HG1 VAL 26 -3.513 -6.571 2.793
652 3HG1 VAL 26 3HG1 VAL 26 -3.752 -5.442 4.128
653 1HG2 VAL 26 1HG2 VAL 26 -5.057 -4.402 0.494
654 2HG2 VAL 26 2HG2 VAL 26 -3.547 -4.203 1.382
655 3HG2 VAL 26 3HG2 VAL 26 -4.002 -5.790 0.764
656 H LYS 27 H LYS 27 -6.518 -5.268 -0.262
657 HA LYS 27 HA LYS 27 -7.964 -2.835 -0.166
658 1HB LYS 27 1HB LYS 27 -7.527 -4.699 -2.508
659 2HB LYS 27 2HB LYS 27 -8.092 -3.039 -2.615
660 1HG LYS 27 1HG LYS 27 -5.949 -2.314 -1.576
661 2HG LYS 27 2HG LYS 27 -5.392 -3.983 -1.689
662 1HD LYS 27 1HD LYS 27 -6.223 -2.235 -4.002
663 2HD LYS 27 2HD LYS 27 -4.568 -2.647 -3.560
664 1HE LYS 27 1HE LYS 27 -5.104 -5.031 -3.932
665 2HE LYS 27 2HE LYS 27 -6.714 -4.555 -4.468
666 1HZ LYS 27 1HZ LYS 27 -5.040 -3.021 -5.969
667 2HZ LYS 27 2HZ LYS 27 -4.241 -4.511 -5.900
668 3HZ LYS 27 3HZ LYS 27 -5.826 -4.428 -6.485
669 H ALA 28 H ALA 28 -8.883 -6.183 -0.698
670 HA ALA 28 HA ALA 28 -11.476 -5.862 -1.621
671 1HB ALA 28 1HB ALA 28 -11.847 -8.099 -1.050
672 2HB ALA 28 2HB ALA 28 -10.726 -8.032 0.310
673 3HB ALA 28 3HB ALA 28 -10.110 -8.004 -1.342
674 H LYS 29 H LYS 29 -10.235 -5.709 1.677
675 HA LYS 29 HA LYS 29 -12.760 -5.628 2.975
676 1HB LYS 29 1HB LYS 29 -10.214 -4.368 4.002
677 2HB LYS 29 2HB LYS 29 -11.550 -5.021 4.937
678 1HG LYS 29 1HG LYS 29 -10.975 -7.275 4.163
679 2HG LYS 29 2HG LYS 29 -9.618 -6.601 3.260
680 1HD LYS 29 1HD LYS 29 -8.626 -5.796 5.340
681 2HD LYS 29 2HD LYS 29 -9.995 -6.436 6.250
682 1HE LYS 29 1HE LYS 29 -9.427 -8.700 5.481
683 2HE LYS 29 2HE LYS 29 -8.040 -8.046 4.613
684 1HZ LYS 29 1HZ LYS 29 -7.954 -7.175 7.286
685 2HZ LYS 29 2HZ LYS 29 -8.160 -8.854 7.271
686 3HZ LYS 29 3HZ LYS 29 -6.851 -8.156 6.460
687 H ILE 30 H ILE 30 -10.509 -3.200 1.778
688 HA ILE 30 HA ILE 30 -11.826 -0.915 2.701
689 HB ILE 30 HB ILE 30 -10.189 -1.269 0.185
690 1HG1 ILE 30 1HG1 ILE 30 -9.429 -0.324 2.959
691 2HG1 ILE 30 2HG1 ILE 30 -8.974 -1.859 2.231
692 1HG2 ILE 30 1HG2 ILE 30 -11.000 1.243 1.652
693 2HG2 ILE 30 2HG2 ILE 30 -9.854 1.172 0.313
694 3HG2 ILE 30 3HG2 ILE 30 -11.543 0.742 0.051
695 1HD1 ILE 30 1HD1 ILE 30 -8.198 0.768 1.016
696 2HD1 ILE 30 2HD1 ILE 30 -7.229 -0.028 2.257
697 3HD1 ILE 30 3HD1 ILE 30 -7.518 -0.832 0.714
698 H GLN 31 H GLN 31 -12.444 -3.054 0.016
699 HA GLN 31 HA GLN 31 -14.206 -1.437 -1.475
700 1HB GLN 31 1HB GLN 31 -14.384 -4.438 -1.126
701 2HB GLN 31 2HB GLN 31 -14.988 -3.491 -2.478
702 1HG GLN 31 1HG GLN 31 -12.740 -2.965 -3.166
703 2HG GLN 31 2HG GLN 31 -12.084 -3.792 -1.757
704 1HE2 GLN 31 2HE2 GLN 31 -14.767 -5.433 -2.856
705 2HE2 GLN 31 1HE2 GLN 31 -13.976 -6.629 -3.815
706 H ASP 32 H ASP 32 -14.650 -3.728 1.173
707 HA ASP 32 HA ASP 32 -17.450 -3.421 1.407
708 1HB ASP 32 1HB ASP 32 -15.409 -4.266 3.475
709 2HB ASP 32 2HB ASP 32 -17.152 -4.435 3.652
710 H LYS 33 H LYS 33 -14.661 -1.807 2.697
711 HA LYS 33 HA LYS 33 -15.867 -0.204 4.649
712 1HB LYS 33 1HB LYS 33 -13.376 0.125 2.983
713 2HB LYS 33 2HB LYS 33 -13.835 1.286 4.224
714 1HG LYS 33 1HG LYS 33 -13.307 -1.645 4.674
715 2HG LYS 33 2HG LYS 33 -12.183 -0.332 5.020
716 1HD LYS 33 1HD LYS 33 -13.809 0.614 6.609
717 2HD LYS 33 2HD LYS 33 -14.886 -0.748 6.292
718 1HE LYS 33 1HE LYS 33 -13.168 -2.288 7.112
719 2HE LYS 33 2HE LYS 33 -12.104 -0.922 7.437
720 1HZ LYS 33 1HZ LYS 33 -14.707 -0.692 8.650
721 2HZ LYS 33 2HZ LYS 33 -13.810 -2.007 9.218
722 3HZ LYS 33 3HZ LYS 33 -13.176 -0.441 9.321
723 H GLU 34 H GLU 34 -15.686 0.054 1.191
724 HA GLU 34 HA GLU 34 -17.547 2.294 1.254
725 1HB GLU 34 1HB GLU 34 -14.927 2.394 -0.255
726 2HB GLU 34 2HB GLU 34 -16.236 3.550 -0.440
727 1HG GLU 34 1HG GLU 34 -14.725 3.043 2.112
728 2HG GLU 34 2HG GLU 34 -14.416 4.369 0.991
729 H GLY 35 H GLY 35 -15.556 1.080 -1.415
730 1HA GLY 35 1HA GLY 35 -17.986 0.453 -2.897
731 2HA GLY 35 2HA GLY 35 -16.921 -0.899 -2.549
732 H ILE 36 H ILE 36 -14.438 0.295 -2.882
733 HA ILE 36 HA ILE 36 -14.494 1.139 -5.697
734 HB ILE 36 HB ILE 36 -11.925 1.624 -4.672
735 1HG1 ILE 36 1HG1 ILE 36 -12.500 3.267 -2.837
736 2HG1 ILE 36 2HG1 ILE 36 -14.101 2.535 -2.781
737 1HG2 ILE 36 1HG2 ILE 36 -14.190 3.142 -5.755
738 2HG2 ILE 36 2HG2 ILE 36 -13.032 4.079 -4.812
739 3HG2 ILE 36 3HG2 ILE 36 -12.486 3.150 -6.209
740 1HD1 ILE 36 1HD1 ILE 36 -12.674 0.329 -2.491
741 2HD1 ILE 36 2HD1 ILE 36 -11.497 1.481 -1.860
742 3HD1 ILE 36 3HD1 ILE 36 -13.097 1.364 -1.126
743 HA PRO 37 HA PRO 37 -12.855 -2.853 -6.828
744 1HB PRO 37 1HB PRO 37 -11.567 -1.080 -8.872
745 2HB PRO 37 2HB PRO 37 -12.378 -2.634 -9.091
746 1HG PRO 37 1HG PRO 37 -13.623 -0.366 -9.701
747 2HG PRO 37 2HG PRO 37 -14.498 -1.694 -8.921
748 1HD PRO 37 1HD PRO 37 -13.572 0.888 -7.781
749 2HD PRO 37 2HD PRO 37 -14.974 -0.103 -7.340
750 HA PRO 38 HA PRO 38 -8.903 -2.850 -4.823
751 1HB PRO 38 1HB PRO 38 -7.830 -5.033 -6.172
752 2HB PRO 38 2HB PRO 38 -8.825 -5.114 -4.719
753 1HG PRO 38 1HG PRO 38 -9.591 -5.521 -7.566
754 2HG PRO 38 2HG PRO 38 -10.183 -6.342 -6.113
755 1HD PRO 38 1HD PRO 38 -11.629 -4.454 -7.372
756 2HD PRO 38 2HD PRO 38 -11.672 -4.649 -5.610
757 H ASP 39 H ASP 39 -9.072 -3.155 -8.339
758 HA ASP 39 HA ASP 39 -6.378 -2.514 -8.871
759 1HB ASP 39 1HB ASP 39 -8.828 -2.142 -10.607
760 2HB ASP 39 2HB ASP 39 -7.163 -2.055 -11.171
761 H GLN 40 H GLN 40 -9.287 -0.535 -8.527
762 HA GLN 40 HA GLN 40 -8.194 1.882 -9.412
763 1HB GLN 40 1HB GLN 40 -10.436 1.321 -7.477
764 2HB GLN 40 2HB GLN 40 -10.033 2.936 -8.050
765 1HG GLN 40 1HG GLN 40 -10.425 2.175 -10.363
766 2HG GLN 40 2HG GLN 40 -10.917 0.604 -9.734
767 1HE2 GLN 40 2HE2 GLN 40 -12.009 2.488 -7.413
768 2HE2 GLN 40 1HE2 GLN 40 -13.575 2.891 -8.017
769 H GLN 41 H GLN 41 -8.211 0.386 -6.209
770 HA GLN 41 HA GLN 41 -7.218 2.566 -4.758
771 1HB GLN 41 1HB GLN 41 -6.830 -0.398 -4.297
772 2HB GLN 41 2HB GLN 41 -6.469 0.857 -3.116
773 1HG GLN 41 1HG GLN 41 -8.770 1.481 -2.974
774 2HG GLN 41 2HG GLN 41 -9.192 0.421 -4.316
775 1HE2 GLN 41 2HE2 GLN 41 -10.279 -1.258 -3.637
776 2HE2 GLN 41 1HE2 GLN 41 -9.980 -2.159 -2.194
777 H ARG 42 H ARG 42 -5.315 3.560 -4.789
778 HA ARG 42 HA ARG 42 -3.145 2.373 -6.291
779 1HB ARG 42 1HB ARG 42 -3.811 4.638 -6.889
780 2HB ARG 42 2HB ARG 42 -3.499 5.175 -5.246
781 1HG ARG 42 1HG ARG 42 -1.690 5.837 -6.697
782 2HG ARG 42 2HG ARG 42 -1.123 4.640 -5.532
783 1HD ARG 42 1HD ARG 42 -0.234 4.167 -7.744
784 2HD ARG 42 2HD ARG 42 -1.333 2.891 -7.229
785 HE ARG 42 HE ARG 42 -2.794 4.753 -8.715
786 1HH1 ARG 42 1HH1 ARG 42 -0.250 2.414 -9.163
787 2HH1 ARG 42 2HH1 ARG 42 -0.650 2.104 -10.820
788 1HH2 ARG 42 1HH2 ARG 42 -3.330 4.353 -10.893
789 2HH2 ARG 42 2HH2 ARG 42 -2.404 3.208 -11.804
790 H LEU 43 H LEU 43 -1.446 1.439 -5.354
791 HA LEU 43 HA LEU 43 -1.177 1.462 -2.501
792 1HB LEU 43 1HB LEU 43 0.702 0.345 -4.581
793 2HB LEU 43 2HB LEU 43 0.765 0.020 -2.861
794 HG LEU 43 HG LEU 43 -1.302 -0.904 -4.842
795 1HD1 LEU 43 1HD1 LEU 43 -2.412 -0.078 -2.787
796 2HD1 LEU 43 2HD1 LEU 43 -2.575 -1.821 -3.010
797 3HD1 LEU 43 3HD1 LEU 43 -1.415 -1.185 -1.843
798 1HD2 LEU 43 1HD2 LEU 43 0.724 -2.225 -3.069
799 2HD2 LEU 43 2HD2 LEU 43 -0.660 -3.106 -3.718
800 3HD2 LEU 43 3HD2 LEU 43 0.513 -2.376 -4.814
801 H ILE 44 H ILE 44 0.200 2.567 -1.247
802 HA ILE 44 HA ILE 44 2.369 4.085 -2.467
803 HB ILE 44 HB ILE 44 0.261 5.365 -0.729
804 1HG1 ILE 44 1HG1 ILE 44 1.090 5.898 -3.592
805 2HG1 ILE 44 2HG1 ILE 44 -0.392 5.088 -3.090
806 1HG2 ILE 44 1HG2 ILE 44 3.037 6.078 -1.304
807 2HG2 ILE 44 2HG2 ILE 44 1.885 7.373 -1.625
808 3HG2 ILE 44 3HG2 ILE 44 1.962 6.640 -0.022
809 1HD1 ILE 44 1HD1 ILE 44 0.132 7.797 -2.023
810 2HD1 ILE 44 2HD1 ILE 44 -0.337 7.642 -3.716
811 3HD1 ILE 44 3HD1 ILE 44 -1.392 7.017 -2.447
812 H PHE 45 H PHE 45 4.152 3.834 -1.318
813 HA PHE 45 HA PHE 45 3.902 3.035 1.505
814 1HB PHE 45 1HB PHE 45 6.128 2.349 -0.429
815 2HB PHE 45 2HB PHE 45 5.974 1.775 1.227
816 HD1 PHE 45 HD1 PHE 45 5.208 -0.366 1.493
817 HD2 PHE 45 HD2 PHE 45 3.932 1.859 -1.903
818 HE1 PHE 45 HE1 PHE 45 3.962 -2.325 0.678
819 HE2 PHE 45 HE2 PHE 45 2.682 -0.095 -2.719
820 HZ PHE 45 HZ PHE 45 2.696 -2.190 -1.428
821 H ALA 46 H ALA 46 5.326 3.945 3.023
822 HA ALA 46 HA ALA 46 7.208 5.977 2.106
823 1HB ALA 46 1HB ALA 46 6.184 7.809 2.964
824 2HB ALA 46 2HB ALA 46 5.387 6.901 4.249
825 3HB ALA 46 3HB ALA 46 4.741 6.859 2.609
826 H GLY 47 H GLY 47 8.997 5.984 3.309
827 1HA GLY 47 1HA GLY 47 10.490 5.398 4.952
828 2HA GLY 47 2HA GLY 47 9.348 4.160 5.443
829 H LYS 48 H LYS 48 9.149 4.350 7.576
830 HA LYS 48 HA LYS 48 8.017 6.780 8.669
831 1HB LYS 48 1HB LYS 48 7.151 4.578 9.348
832 2HB LYS 48 2HB LYS 48 8.728 4.158 9.999
833 1HG LYS 48 1HG LYS 48 7.236 4.786 11.785
834 2HG LYS 48 2HG LYS 48 8.527 5.980 11.634
835 1HD LYS 48 1HD LYS 48 7.019 7.446 10.378
836 2HD LYS 48 2HD LYS 48 5.728 6.254 10.539
837 1HE LYS 48 1HE LYS 48 5.840 6.485 12.981
838 2HE LYS 48 2HE LYS 48 7.103 7.701 12.800
839 1HZ LYS 48 1HZ LYS 48 4.536 8.087 11.425
840 2HZ LYS 48 2HZ LYS 48 4.639 8.415 13.081
841 3HZ LYS 48 3HZ LYS 48 5.635 9.241 11.992
842 H GLN 49 H GLN 49 10.010 8.057 8.185
843 HA GLN 49 HA GLN 49 12.335 7.514 9.773
844 1HB GLN 49 1HB GLN 49 13.198 9.625 8.976
845 2HB GLN 49 2HB GLN 49 12.453 8.781 7.628
846 1HG GLN 49 1HG GLN 49 10.484 10.188 7.814
847 2HG GLN 49 2HG GLN 49 11.197 11.017 9.197
848 1HE2 GLN 49 2HE2 GLN 49 12.006 12.915 8.706
849 2HE2 GLN 49 1HE2 GLN 49 12.748 13.356 7.209
850 H LEU 50 H LEU 50 12.394 7.769 11.880
851 HA LEU 50 HA LEU 50 10.358 8.922 13.386
852 1HB LEU 50 1HB LEU 50 13.216 8.473 14.237
853 2HB LEU 50 2HB LEU 50 11.832 8.651 15.301
854 HG LEU 50 HG LEU 50 11.240 6.534 13.512
855 1HD1 LEU 50 1HD1 LEU 50 11.241 7.112 16.300
856 2HD1 LEU 50 2HD1 LEU 50 10.366 5.849 15.429
857 3HD1 LEU 50 3HD1 LEU 50 11.984 5.531 16.054
858 1HD2 LEU 50 1HD2 LEU 50 14.057 6.545 14.511
859 2HD2 LEU 50 2HD2 LEU 50 13.183 5.024 14.343
860 3HD2 LEU 50 3HD2 LEU 50 13.427 6.059 12.936
861 H GLU 51 H GLU 51 10.039 10.965 12.354
862 HA GLU 51 HA GLU 51 11.920 13.033 12.265
863 1HB GLU 51 1HB GLU 51 9.799 13.112 11.043
864 2HB GLU 51 2HB GLU 51 8.914 13.219 12.558
865 1HG GLU 51 1HG GLU 51 9.979 15.371 13.025
866 2HG GLU 51 2HG GLU 51 10.852 15.265 11.499
No H/Q in entry = 866
Start of MODEL 9
1 H1 GLY -1 H1 GLY -1 3.125 -0.766 -17.075
2 H2 GLY -1 H2 GLY -1 3.436 0.544 -16.048
3 H3 GLY -1 H3 GLY -1 4.715 -0.244 -16.828
4 1HA GLY -1 1HA GLY -1 4.310 -0.772 -14.375
5 2HA GLY -1 2HA GLY -1 4.608 -2.100 -15.483
6 H SER 0 H SER 0 3.443 -3.739 -14.685
7 HA SER 0 HA SER 0 0.658 -3.819 -14.990
8 1HB SER 0 1HB SER 0 2.360 -5.621 -13.252
9 2HB SER 0 2HB SER 0 0.758 -5.987 -13.888
10 HG SER 0 HG SER 0 3.076 -6.445 -15.033
11 H MET 1 H MET 1 2.683 -3.266 -12.149
12 HA MET 1 HA MET 1 0.574 -1.858 -10.827
13 1HB MET 1 1HB MET 1 -0.123 -4.161 -10.365
14 2HB MET 1 2HB MET 1 1.458 -4.517 -9.691
15 1HG MET 1 1HG MET 1 -0.204 -4.168 -7.954
16 2HG MET 1 2HG MET 1 1.070 -2.953 -7.883
17 1HE MET 1 1HE MET 1 -1.447 -2.655 -6.281
18 2HE MET 1 2HE MET 1 -0.410 -1.231 -6.365
19 3HE MET 1 3HE MET 1 -2.144 -1.077 -6.653
20 H GLN 2 H GLN 2 2.996 -0.919 -11.555
21 HA GLN 2 HA GLN 2 5.077 -1.175 -9.699
22 1HB GLN 2 1HB GLN 2 5.866 0.995 -10.631
23 2HB GLN 2 2HB GLN 2 5.468 -0.188 -11.866
24 1HG GLN 2 1HG GLN 2 3.250 0.925 -12.113
25 2HG GLN 2 2HG GLN 2 3.822 2.178 -11.015
26 1HE2 GLN 2 2HE2 GLN 2 3.386 1.453 -14.157
27 2HE2 GLN 2 1HE2 GLN 2 4.574 2.479 -14.875
28 H ILE 3 H ILE 3 4.897 -0.811 -7.611
29 HA ILE 3 HA ILE 3 2.967 0.945 -6.465
30 HB ILE 3 HB ILE 3 4.110 0.370 -4.311
31 1HG1 ILE 3 1HG1 ILE 3 5.795 -1.397 -6.095
32 2HG1 ILE 3 2HG1 ILE 3 6.370 0.029 -5.243
33 1HG2 ILE 3 1HG2 ILE 3 2.222 -0.921 -5.211
34 2HG2 ILE 3 2HG2 ILE 3 3.362 -1.981 -6.040
35 3HG2 ILE 3 3HG2 ILE 3 3.334 -1.922 -4.277
36 1HD1 ILE 3 1HD1 ILE 3 5.185 -1.581 -3.294
37 2HD1 ILE 3 2HD1 ILE 3 6.122 -2.668 -4.318
38 3HD1 ILE 3 3HD1 ILE 3 6.904 -1.286 -3.552
39 H PHE 4 H PHE 4 3.171 2.979 -5.777
40 HA PHE 4 HA PHE 4 5.676 4.373 -6.280
41 1HB PHE 4 1HB PHE 4 2.963 5.413 -5.417
42 2HB PHE 4 2HB PHE 4 4.357 6.420 -5.778
43 HD1 PHE 4 HD1 PHE 4 2.595 3.583 -7.463
44 HD2 PHE 4 HD2 PHE 4 4.219 7.504 -7.777
45 HE1 PHE 4 HE1 PHE 4 1.928 3.665 -9.830
46 HE2 PHE 4 HE2 PHE 4 3.555 7.593 -10.144
47 HZ PHE 4 HZ PHE 4 2.408 5.673 -11.174
48 H VAL 5 H VAL 5 7.053 5.009 -4.690
49 HA VAL 5 HA VAL 5 6.103 5.028 -1.919
50 HB VAL 5 HB VAL 5 8.528 3.469 -2.817
51 1HG1 VAL 5 1HG1 VAL 5 5.743 2.705 -2.272
52 2HG1 VAL 5 2HG1 VAL 5 6.962 1.923 -3.279
53 3HG1 VAL 5 3HG1 VAL 5 6.974 1.683 -1.531
54 1HG2 VAL 5 1HG2 VAL 5 7.957 4.673 -0.332
55 2HG2 VAL 5 2HG2 VAL 5 7.746 2.935 -0.129
56 3HG2 VAL 5 3HG2 VAL 5 9.276 3.573 -0.734
57 H LYS 6 H LYS 6 6.922 6.659 -0.764
58 HA LYS 6 HA LYS 6 8.961 8.339 -2.003
59 1HB LYS 6 1HB LYS 6 7.246 8.795 0.446
60 2HB LYS 6 2HB LYS 6 8.367 9.964 -0.232
61 1HG LYS 6 1HG LYS 6 7.059 10.022 -2.296
62 2HG LYS 6 2HG LYS 6 5.930 8.856 -1.607
63 1HD LYS 6 1HD LYS 6 5.376 10.436 0.172
64 2HD LYS 6 2HD LYS 6 6.514 11.601 -0.502
65 1HE LYS 6 1HE LYS 6 5.207 11.690 -2.565
66 2HE LYS 6 2HE LYS 6 4.071 10.519 -1.897
67 1HZ LYS 6 1HZ LYS 6 3.684 12.167 -0.069
68 2HZ LYS 6 2HZ LYS 6 4.559 13.293 -0.978
69 3HZ LYS 6 3HZ LYS 6 3.125 12.641 -1.594
70 H THR 7 H THR 7 11.033 8.229 -1.419
71 HA THR 7 HA THR 7 11.896 6.464 0.639
72 HB THR 7 HB THR 7 14.170 7.323 0.151
73 HG1 THR 7 HG1 THR 7 14.452 9.088 -1.027
74 1HG2 THR 7 1HG2 THR 7 13.160 5.522 -1.211
75 2HG2 THR 7 2HG2 THR 7 12.570 6.739 -2.342
76 3HG2 THR 7 3HG2 THR 7 14.304 6.504 -2.127
77 H LEU 8 H LEU 8 14.091 7.997 1.676
78 HA LEU 8 HA LEU 8 12.699 9.305 3.839
79 1HB LEU 8 1HB LEU 8 15.654 8.904 3.364
80 2HB LEU 8 2HB LEU 8 14.947 9.541 4.835
81 HG LEU 8 HG LEU 8 15.514 7.248 5.220
82 1HD1 LEU 8 1HD1 LEU 8 13.273 8.146 6.018
83 2HD1 LEU 8 2HD1 LEU 8 12.562 7.186 4.722
84 3HD1 LEU 8 3HD1 LEU 8 13.484 6.395 6.000
85 1HD2 LEU 8 1HD2 LEU 8 15.602 6.552 2.866
86 2HD2 LEU 8 2HD2 LEU 8 14.709 5.422 3.882
87 3HD2 LEU 8 3HD2 LEU 8 13.840 6.536 2.827
88 H THR 9 H THR 9 15.092 10.236 1.383
89 HA THR 9 HA THR 9 15.101 12.989 2.140
90 HB THR 9 HB THR 9 16.370 13.361 0.061
91 HG1 THR 9 HG1 THR 9 15.361 10.830 -0.506
92 1HG2 THR 9 1HG2 THR 9 17.229 10.953 1.668
93 2HG2 THR 9 2HG2 THR 9 18.280 11.860 0.580
94 3HG2 THR 9 3HG2 THR 9 17.605 12.643 2.009
95 H GLY 10 H GLY 10 13.574 11.163 -0.511
96 1HA GLY 10 1HA GLY 10 12.266 13.544 -1.514
97 2HA GLY 10 2HA GLY 10 11.199 12.433 -0.669
98 H LYS 11 H LYS 11 13.936 11.392 -2.588
99 HA LYS 11 HA LYS 11 12.893 11.079 -5.086
100 1HB LYS 11 1HB LYS 11 15.202 10.535 -4.550
101 2HB LYS 11 2HB LYS 11 14.683 9.147 -3.607
102 1HG LYS 11 1HG LYS 11 13.763 8.132 -5.657
103 2HG LYS 11 2HG LYS 11 14.378 9.504 -6.582
104 1HD LYS 11 1HD LYS 11 16.058 7.606 -4.946
105 2HD LYS 11 2HD LYS 11 15.876 7.557 -6.700
106 1HE LYS 11 1HE LYS 11 16.841 9.798 -6.861
107 2HE LYS 11 2HE LYS 11 17.023 9.846 -5.108
108 1HZ LYS 11 1HZ LYS 11 18.281 7.731 -6.749
109 2HZ LYS 11 2HZ LYS 11 19.049 9.209 -6.457
110 3HZ LYS 11 3HZ LYS 11 18.654 8.192 -5.164
111 H THR 12 H THR 12 11.374 9.912 -6.045
112 HA THR 12 HA THR 12 9.803 8.044 -4.452
113 HB THR 12 HB THR 12 9.310 9.035 -7.264
114 HG1 THR 12 HG1 THR 12 9.034 10.810 -6.029
115 1HG2 THR 12 1HG2 THR 12 8.213 6.852 -6.196
116 2HG2 THR 12 2HG2 THR 12 7.139 8.059 -5.490
117 3HG2 THR 12 3HG2 THR 12 7.306 7.945 -7.242
118 H ILE 13 H ILE 13 9.472 5.881 -4.999
119 HA ILE 13 HA ILE 13 11.308 4.819 -7.045
120 HB ILE 13 HB ILE 13 11.051 2.654 -5.597
121 1HG1 ILE 13 1HG1 ILE 13 10.655 4.827 -3.535
122 2HG1 ILE 13 2HG1 ILE 13 9.439 3.651 -4.023
123 1HG2 ILE 13 1HG2 ILE 13 12.903 4.927 -5.415
124 2HG2 ILE 13 2HG2 ILE 13 12.989 3.737 -4.112
125 3HG2 ILE 13 3HG2 ILE 13 13.200 3.225 -5.789
126 1HD1 ILE 13 1HD1 ILE 13 11.817 2.279 -3.255
127 2HD1 ILE 13 2HD1 ILE 13 11.355 3.419 -1.991
128 3HD1 ILE 13 3HD1 ILE 13 10.204 2.203 -2.547
129 H THR 14 H THR 14 10.462 3.718 -8.635
130 HA THR 14 HA THR 14 7.672 2.833 -8.449
131 HB THR 14 HB THR 14 8.200 2.318 -10.997
132 HG1 THR 14 HG1 THR 14 9.747 4.626 -10.846
133 1HG2 THR 14 1HG2 THR 14 6.815 4.259 -9.639
134 2HG2 THR 14 2HG2 THR 14 7.878 5.201 -10.687
135 3HG2 THR 14 3HG2 THR 14 6.786 4.006 -11.383
136 H LEU 15 H LEU 15 7.183 0.709 -8.379
137 HA LEU 15 HA LEU 15 9.146 -1.262 -9.205
138 1HB LEU 15 1HB LEU 15 9.999 -1.004 -7.063
139 2HB LEU 15 2HB LEU 15 8.429 -0.656 -6.374
140 HG LEU 15 HG LEU 15 7.809 -3.025 -6.558
141 1HD1 LEU 15 1HD1 LEU 15 10.350 -2.366 -5.094
142 2HD1 LEU 15 2HD1 LEU 15 8.697 -2.326 -4.477
143 3HD1 LEU 15 3HD1 LEU 15 9.458 -3.871 -4.865
144 1HD2 LEU 15 1HD2 LEU 15 10.034 -3.135 -8.301
145 2HD2 LEU 15 2HD2 LEU 15 10.358 -4.199 -6.933
146 3HD2 LEU 15 3HD2 LEU 15 8.892 -4.412 -7.887
147 H GLU 16 H GLU 16 7.979 -2.577 -10.416
148 HA GLU 16 HA GLU 16 5.177 -2.924 -10.180
149 1HB GLU 16 1HB GLU 16 6.307 -3.108 -12.324
150 2HB GLU 16 2HB GLU 16 7.252 -4.470 -11.740
151 1HG GLU 16 1HG GLU 16 5.153 -5.754 -11.478
152 2HG GLU 16 2HG GLU 16 4.281 -4.402 -12.200
153 H VAL 17 H VAL 17 4.003 -4.429 -9.173
154 HA VAL 17 HA VAL 17 5.148 -6.924 -8.268
155 HB VAL 17 HB VAL 17 4.360 -6.600 -5.913
156 1HG1 VAL 17 1HG1 VAL 17 2.961 -4.558 -6.594
157 2HG1 VAL 17 2HG1 VAL 17 3.805 -4.520 -5.046
158 3HG1 VAL 17 3HG1 VAL 17 4.468 -3.658 -6.434
159 1HG2 VAL 17 1HG2 VAL 17 6.725 -6.474 -6.505
160 2HG2 VAL 17 2HG2 VAL 17 6.555 -4.745 -6.809
161 3HG2 VAL 17 3HG2 VAL 17 6.328 -5.380 -5.180
162 H GLU 18 H GLU 18 3.635 -8.502 -8.121
163 HA GLU 18 HA GLU 18 1.061 -7.972 -9.212
164 1HB GLU 18 1HB GLU 18 2.038 -10.503 -7.886
165 2HB GLU 18 2HB GLU 18 0.683 -10.353 -8.996
166 1HG GLU 18 1HG GLU 18 3.555 -9.793 -9.703
167 2HG GLU 18 2HG GLU 18 2.709 -11.305 -10.033
168 HA PRO 19 HA PRO 19 -1.350 -6.911 -5.657
169 1HB PRO 19 1HB PRO 19 -3.604 -8.416 -6.369
170 2HB PRO 19 2HB PRO 19 -3.294 -6.741 -6.816
171 1HG PRO 19 1HG PRO 19 -2.850 -9.233 -8.384
172 2HG PRO 19 2HG PRO 19 -3.381 -7.636 -8.937
173 1HD PRO 19 1HD PRO 19 -0.879 -8.471 -9.359
174 2HD PRO 19 2HD PRO 19 -1.212 -6.780 -8.929
175 H SER 20 H SER 20 -1.302 -10.245 -6.790
176 HA SER 20 HA SER 20 -2.213 -11.456 -4.424
177 1HB SER 20 1HB SER 20 -2.213 -12.598 -6.586
178 2HB SER 20 2HB SER 20 -0.451 -12.572 -6.615
179 HG SER 20 HG SER 20 -1.505 -14.567 -5.842
180 H ASP 21 H ASP 21 0.981 -10.440 -5.484
181 HA ASP 21 HA ASP 21 2.561 -11.834 -3.669
182 1HB ASP 21 1HB ASP 21 2.905 -9.119 -4.943
183 2HB ASP 21 2HB ASP 21 4.121 -9.804 -3.868
184 H THR 22 H THR 22 2.914 -11.712 -1.552
185 HA THR 22 HA THR 22 1.191 -10.337 0.158
186 HB THR 22 HB THR 22 2.704 -10.985 1.983
187 HG1 THR 22 HG1 THR 22 4.685 -11.888 1.541
188 1HG2 THR 22 1HG2 THR 22 1.139 -12.636 1.102
189 2HG2 THR 22 2HG2 THR 22 2.333 -13.145 -0.092
190 3HG2 THR 22 3HG2 THR 22 2.637 -13.406 1.626
191 H ILE 23 H ILE 23 1.432 -8.573 1.499
192 HA ILE 23 HA ILE 23 2.732 -6.317 0.472
193 HB ILE 23 HB ILE 23 1.857 -6.783 3.330
194 1HG1 ILE 23 1HG1 ILE 23 0.353 -5.563 1.003
195 2HG1 ILE 23 2HG1 ILE 23 0.045 -7.151 1.692
196 1HG2 ILE 23 1HG2 ILE 23 3.426 -4.827 2.752
197 2HG2 ILE 23 2HG2 ILE 23 2.020 -4.130 1.948
198 3HG2 ILE 23 3HG2 ILE 23 1.963 -4.483 3.675
199 1HD1 ILE 23 1HD1 ILE 23 -0.145 -5.528 3.878
200 2HD1 ILE 23 2HD1 ILE 23 -0.810 -4.521 2.593
201 3HD1 ILE 23 3HD1 ILE 23 -1.498 -6.113 2.912
202 H GLU 24 H GLU 24 3.771 -8.804 2.657
203 HA GLU 24 HA GLU 24 6.021 -7.510 3.762
204 1HB GLU 24 1HB GLU 24 5.170 -9.431 4.870
205 2HB GLU 24 2HB GLU 24 5.253 -10.403 3.411
206 1HG GLU 24 1HG GLU 24 7.657 -10.379 3.488
207 2HG GLU 24 2HG GLU 24 7.627 -9.320 4.895
208 H ASN 25 H ASN 25 5.526 -9.423 0.843
209 HA ASN 25 HA ASN 25 8.289 -9.619 0.174
210 1HB ASN 25 1HB ASN 25 5.802 -9.983 -1.504
211 2HB ASN 25 2HB ASN 25 7.431 -10.324 -2.070
212 1HD2 ASN 25 2HD2 ASN 25 7.452 -11.045 1.123
213 2HD2 ASN 25 1HD2 ASN 25 7.069 -12.725 1.046
214 H VAL 26 H VAL 26 5.643 -7.518 -0.951
215 HA VAL 26 HA VAL 26 7.096 -6.107 -2.866
216 HB VAL 26 HB VAL 26 5.422 -4.348 -2.679
217 1HG1 VAL 26 1HG1 VAL 26 4.450 -7.184 -2.597
218 2HG1 VAL 26 2HG1 VAL 26 3.364 -5.832 -2.918
219 3HG1 VAL 26 3HG1 VAL 26 4.719 -6.150 -4.000
220 1HG2 VAL 26 1HG2 VAL 26 5.314 -4.989 -0.015
221 2HG2 VAL 26 2HG2 VAL 26 4.202 -3.917 -0.865
222 3HG2 VAL 26 3HG2 VAL 26 3.787 -5.615 -0.637
223 H LYS 27 H LYS 27 6.726 -5.521 0.608
224 HA LYS 27 HA LYS 27 8.146 -3.068 0.655
225 1HB LYS 27 1HB LYS 27 7.610 -5.112 2.814
226 2HB LYS 27 2HB LYS 27 8.405 -3.575 3.113
227 1HG LYS 27 1HG LYS 27 6.399 -2.403 2.311
228 2HG LYS 27 2HG LYS 27 5.603 -3.961 2.086
229 1HD LYS 27 1HD LYS 27 5.778 -4.436 4.450
230 2HD LYS 27 2HD LYS 27 6.693 -2.951 4.710
231 1HE LYS 27 1HE LYS 27 3.839 -3.130 3.758
232 2HE LYS 27 2HE LYS 27 4.362 -2.686 5.380
233 1HZ LYS 27 1HZ LYS 27 5.634 -1.081 3.406
234 2HZ LYS 27 2HZ LYS 27 3.951 -0.984 3.272
235 3HZ LYS 27 3HZ LYS 27 4.704 -0.608 4.738
236 H ALA 28 H ALA 28 9.101 -6.435 1.085
237 HA ALA 28 HA ALA 28 11.698 -6.120 1.967
238 1HB ALA 28 1HB ALA 28 12.104 -8.322 0.724
239 2HB ALA 28 2HB ALA 28 10.403 -8.225 0.270
240 3HB ALA 28 3HB ALA 28 10.859 -8.296 1.972
241 H LYS 29 H LYS 29 10.451 -5.990 -1.339
242 HA LYS 29 HA LYS 29 12.948 -5.855 -2.650
243 1HB LYS 29 1HB LYS 29 10.389 -4.583 -3.621
244 2HB LYS 29 2HB LYS 29 11.718 -5.205 -4.588
245 1HG LYS 29 1HG LYS 29 11.176 -7.478 -3.864
246 2HG LYS 29 2HG LYS 29 9.834 -6.841 -2.907
247 1HD LYS 29 1HD LYS 29 8.796 -5.974 -4.951
248 2HD LYS 29 2HD LYS 29 10.133 -6.619 -5.903
249 1HE LYS 29 1HE LYS 29 8.207 -8.231 -4.234
250 2HE LYS 29 2HE LYS 29 8.188 -8.093 -5.990
251 1HZ LYS 29 1HZ LYS 29 10.749 -8.894 -5.074
252 2HZ LYS 29 2HZ LYS 29 9.563 -9.947 -4.486
253 3HZ LYS 29 3HZ LYS 29 9.707 -9.679 -6.150
254 H ILE 30 H ILE 30 10.751 -3.413 -1.369
255 HA ILE 30 HA ILE 30 12.036 -1.127 -2.324
256 HB ILE 30 HB ILE 30 10.578 -1.462 0.302
257 1HG1 ILE 30 1HG1 ILE 30 9.562 -0.560 -2.405
258 2HG1 ILE 30 2HG1 ILE 30 9.239 -2.125 -1.669
259 1HG2 ILE 30 1HG2 ILE 30 11.487 0.949 -1.245
260 2HG2 ILE 30 2HG2 ILE 30 10.129 1.033 -0.120
261 3HG2 ILE 30 3HG2 ILE 30 11.728 0.572 0.462
262 1HD1 ILE 30 1HD1 ILE 30 8.452 0.454 -0.358
263 2HD1 ILE 30 2HD1 ILE 30 7.414 -0.391 -1.507
264 3HD1 ILE 30 3HD1 ILE 30 7.886 -1.179 -0.001
265 H GLN 31 H GLN 31 12.704 -3.187 0.449
266 HA GLN 31 HA GLN 31 14.594 -1.548 1.742
267 1HB GLN 31 1HB GLN 31 14.486 -4.574 1.631
268 2HB GLN 31 2HB GLN 31 15.383 -3.620 2.804
269 1HG GLN 31 1HG GLN 31 13.288 -2.708 3.664
270 2HG GLN 31 2HG GLN 31 12.390 -3.664 2.489
271 1HE2 GLN 31 2HE2 GLN 31 11.524 -5.412 3.316
272 2HE2 GLN 31 1HE2 GLN 31 12.172 -6.371 4.598
273 H ASP 32 H ASP 32 14.869 -4.054 -0.729
274 HA ASP 32 HA ASP 32 17.674 -3.897 -1.040
275 1HB ASP 32 1HB ASP 32 16.349 -5.823 -1.833
276 2HB ASP 32 2HB ASP 32 15.563 -4.787 -3.020
277 H LYS 33 H LYS 33 14.952 -2.195 -2.321
278 HA LYS 33 HA LYS 33 16.184 -0.858 -4.467
279 1HB LYS 33 1HB LYS 33 13.680 -1.143 -3.894
280 2HB LYS 33 2HB LYS 33 13.900 0.256 -2.854
281 1HG LYS 33 1HG LYS 33 12.998 0.911 -5.003
282 2HG LYS 33 2HG LYS 33 14.617 1.577 -4.781
283 1HD LYS 33 1HD LYS 33 15.571 -0.090 -6.210
284 2HD LYS 33 2HD LYS 33 14.040 -0.961 -6.300
285 1HE LYS 33 1HE LYS 33 14.583 1.803 -7.374
286 2HE LYS 33 2HE LYS 33 14.440 0.330 -8.329
287 1HZ LYS 33 1HZ LYS 33 12.284 1.518 -6.667
288 2HZ LYS 33 2HZ LYS 33 12.392 1.617 -8.352
289 3HZ LYS 33 3HZ LYS 33 12.150 0.117 -7.606
290 H GLU 34 H GLU 34 16.031 -0.217 -1.028
291 HA GLU 34 HA GLU 34 18.008 1.902 -1.366
292 1HB GLU 34 1HB GLU 34 15.395 2.276 0.105
293 2HB GLU 34 2HB GLU 34 16.772 3.356 0.269
294 1HG GLU 34 1HG GLU 34 15.309 2.784 -2.298
295 2HG GLU 34 2HG GLU 34 15.071 4.204 -1.281
296 H GLY 35 H GLY 35 16.002 0.613 1.313
297 1HA GLY 35 1HA GLY 35 18.492 0.245 2.841
298 2HA GLY 35 2HA GLY 35 17.394 -1.111 2.650
299 H ILE 36 H ILE 36 14.946 0.003 3.026
300 HA ILE 36 HA ILE 36 15.105 1.037 5.773
301 HB ILE 36 HB ILE 36 12.747 1.980 5.137
302 1HG1 ILE 36 1HG1 ILE 36 14.145 1.890 2.452
303 2HG1 ILE 36 2HG1 ILE 36 12.729 0.945 2.896
304 1HG2 ILE 36 1HG2 ILE 36 15.428 3.040 5.046
305 2HG2 ILE 36 2HG2 ILE 36 14.360 3.905 3.940
306 3HG2 ILE 36 3HG2 ILE 36 13.943 3.776 5.649
307 1HD1 ILE 36 1HD1 ILE 36 12.641 3.915 3.063
308 2HD1 ILE 36 2HD1 ILE 36 12.453 3.098 1.509
309 3HD1 ILE 36 3HD1 ILE 36 11.330 2.759 2.827
310 HA PRO 37 HA PRO 37 12.998 -2.679 7.043
311 1HB PRO 37 1HB PRO 37 11.805 -0.676 8.921
312 2HB PRO 37 2HB PRO 37 12.453 -2.284 9.268
313 1HG PRO 37 1HG PRO 37 13.885 -0.118 9.816
314 2HG PRO 37 2HG PRO 37 14.661 -1.556 9.131
315 1HD PRO 37 1HD PRO 37 13.998 1.037 7.833
316 2HD PRO 37 2HD PRO 37 15.339 -0.078 7.510
317 HA PRO 38 HA PRO 38 9.146 -2.341 4.838
318 1HB PRO 38 1HB PRO 38 7.879 -4.479 6.057
319 2HB PRO 38 2HB PRO 38 8.975 -4.602 4.679
320 1HG PRO 38 1HG PRO 38 9.516 -5.054 7.580
321 2HG PRO 38 2HG PRO 38 10.122 -5.944 6.172
322 1HD PRO 38 1HD PRO 38 11.650 -4.167 7.481
323 2HD PRO 38 2HD PRO 38 11.753 -4.363 5.720
324 H ASP 39 H ASP 39 9.213 -2.655 8.348
325 HA ASP 39 HA ASP 39 6.542 -1.996 8.877
326 1HB ASP 39 1HB ASP 39 8.017 -2.962 10.571
327 2HB ASP 39 2HB ASP 39 9.003 -1.504 10.566
328 H GLN 40 H GLN 40 9.377 0.018 8.325
329 HA GLN 40 HA GLN 40 8.333 2.460 9.176
330 1HB GLN 40 1HB GLN 40 10.373 1.828 7.049
331 2HB GLN 40 2HB GLN 40 10.018 3.459 7.597
332 1HG GLN 40 1HG GLN 40 10.819 2.994 9.779
333 2HG GLN 40 2HG GLN 40 10.920 1.268 9.441
334 1HE2 GLN 40 2HE2 GLN 40 11.892 2.528 6.664
335 2HE2 GLN 40 1HE2 GLN 40 13.591 2.664 6.934
336 H GLN 41 H GLN 41 8.241 0.939 5.966
337 HA GLN 41 HA GLN 41 7.018 3.038 4.591
338 1HB GLN 41 1HB GLN 41 6.953 0.059 4.147
339 2HB GLN 41 2HB GLN 41 6.180 1.191 3.050
340 1HG GLN 41 1HG GLN 41 8.333 0.568 2.191
341 2HG GLN 41 2HG GLN 41 8.350 2.266 2.654
342 1HE2 GLN 41 2HE2 GLN 41 9.957 -0.632 2.852
343 2HE2 GLN 41 1HE2 GLN 41 11.035 -0.258 4.147
344 H ARG 42 H ARG 42 5.045 3.874 4.635
345 HA ARG 42 HA ARG 42 2.998 2.540 6.206
346 1HB ARG 42 1HB ARG 42 3.152 5.364 5.165
347 2HB ARG 42 2HB ARG 42 1.828 4.727 6.125
348 1HG ARG 42 1HG ARG 42 3.345 4.344 7.991
349 2HG ARG 42 2HG ARG 42 4.693 4.948 7.027
350 1HD ARG 42 1HD ARG 42 3.592 7.126 6.854
351 2HD ARG 42 2HD ARG 42 2.243 6.524 7.812
352 HE ARG 42 HE ARG 42 4.661 7.553 8.810
353 1HH1 ARG 42 1HH1 ARG 42 2.417 4.940 9.362
354 2HH1 ARG 42 2HH1 ARG 42 2.801 4.798 11.044
355 1HH2 ARG 42 1HH2 ARG 42 5.167 7.371 11.024
356 2HH2 ARG 42 2HH2 ARG 42 4.362 6.179 11.989
357 H LEU 43 H LEU 43 1.235 1.629 5.318
358 HA LEU 43 HA LEU 43 0.989 1.593 2.453
359 1HB LEU 43 1HB LEU 43 -0.597 0.311 4.661
360 2HB LEU 43 2HB LEU 43 -1.081 0.199 2.981
361 HG LEU 43 HG LEU 43 1.450 -0.877 4.215
362 1HD1 LEU 43 1HD1 LEU 43 1.869 0.102 1.990
363 2HD1 LEU 43 2HD1 LEU 43 2.062 -1.652 2.012
364 3HD1 LEU 43 3HD1 LEU 43 0.606 -0.934 1.322
365 1HD2 LEU 43 1HD2 LEU 43 -1.090 -2.064 3.185
366 2HD2 LEU 43 2HD2 LEU 43 0.411 -2.988 3.107
367 3HD2 LEU 43 3HD2 LEU 43 -0.201 -2.427 4.664
368 H ILE 44 H ILE 44 -0.332 2.713 1.200
369 HA ILE 44 HA ILE 44 -2.631 4.091 2.351
370 HB ILE 44 HB ILE 44 -0.493 5.523 0.772
371 1HG1 ILE 44 1HG1 ILE 44 -1.463 5.881 3.617
372 2HG1 ILE 44 2HG1 ILE 44 0.077 5.179 3.139
373 1HG2 ILE 44 1HG2 ILE 44 -3.203 6.002 0.716
374 2HG2 ILE 44 2HG2 ILE 44 -2.621 7.129 1.940
375 3HG2 ILE 44 3HG2 ILE 44 -1.939 7.164 0.314
376 1HD1 ILE 44 1HD1 ILE 44 -0.306 7.801 1.996
377 2HD1 ILE 44 2HD1 ILE 44 -0.415 7.817 3.756
378 3HD1 ILE 44 3HD1 ILE 44 1.024 7.169 2.967
379 H PHE 45 H PHE 45 -4.346 3.890 1.066
380 HA PHE 45 HA PHE 45 -3.898 3.183 -1.761
381 1HB PHE 45 1HB PHE 45 -6.241 2.424 0.000
382 2HB PHE 45 2HB PHE 45 -6.027 1.963 -1.683
383 HD1 PHE 45 HD1 PHE 45 -3.910 1.826 1.403
384 HD2 PHE 45 HD2 PHE 45 -5.514 -0.237 -1.956
385 HE1 PHE 45 HE1 PHE 45 -2.749 -0.224 2.111
386 HE2 PHE 45 HE2 PHE 45 -4.355 -2.289 -1.254
387 HZ PHE 45 HZ PHE 45 -2.972 -2.285 0.783
388 H ALA 46 H ALA 46 -5.176 4.182 -3.345
389 HA ALA 46 HA ALA 46 -7.199 6.099 -2.514
390 1HB ALA 46 1HB ALA 46 -5.555 7.674 -2.334
391 2HB ALA 46 2HB ALA 46 -4.526 6.902 -3.541
392 3HB ALA 46 3HB ALA 46 -5.936 7.832 -4.049
393 H GLY 47 H GLY 47 -8.838 5.950 -3.872
394 1HA GLY 47 1HA GLY 47 -10.072 5.362 -5.720
395 2HA GLY 47 2HA GLY 47 -8.676 4.467 -6.293
396 H LYS 48 H LYS 48 -10.701 6.471 -7.465
397 HA LYS 48 HA LYS 48 -8.953 7.593 -9.381
398 1HB LYS 48 1HB LYS 48 -11.847 8.193 -8.811
399 2HB LYS 48 2HB LYS 48 -10.967 8.741 -10.232
400 1HG LYS 48 1HG LYS 48 -10.559 6.377 -10.838
401 2HG LYS 48 2HG LYS 48 -11.559 5.890 -9.469
402 1HD LYS 48 1HD LYS 48 -13.460 7.095 -10.435
403 2HD LYS 48 2HD LYS 48 -12.455 7.567 -11.807
404 1HE LYS 48 1HE LYS 48 -12.146 5.216 -12.395
405 2HE LYS 48 2HE LYS 48 -13.136 4.736 -11.018
406 1HZ LYS 48 1HZ LYS 48 -14.222 6.550 -13.071
407 2HZ LYS 48 2HZ LYS 48 -14.212 4.877 -13.329
408 3HZ LYS 48 3HZ LYS 48 -15.050 5.525 -12.010
409 H GLN 49 H GLN 49 -7.751 9.296 -9.303
410 HA GLN 49 HA GLN 49 -7.907 11.148 -7.129
411 1HB GLN 49 1HB GLN 49 -6.309 11.297 -9.697
412 2HB GLN 49 2HB GLN 49 -6.091 12.340 -8.301
413 1HG GLN 49 1HG GLN 49 -5.478 10.375 -6.955
414 2HG GLN 49 2HG GLN 49 -5.636 9.367 -8.393
415 1HE2 GLN 49 2HE2 GLN 49 -3.794 8.922 -9.341
416 2HE2 GLN 49 1HE2 GLN 49 -2.385 9.920 -9.365
417 H LEU 50 H LEU 50 -9.803 12.192 -7.143
418 HA LEU 50 HA LEU 50 -11.345 13.067 -9.212
419 1HB LEU 50 1HB LEU 50 -10.902 14.324 -6.511
420 2HB LEU 50 2HB LEU 50 -12.127 14.887 -7.627
421 HG LEU 50 HG LEU 50 -13.084 13.419 -5.923
422 1HD1 LEU 50 1HD1 LEU 50 -10.749 11.904 -6.335
423 2HD1 LEU 50 2HD1 LEU 50 -12.061 11.591 -5.202
424 3HD1 LEU 50 3HD1 LEU 50 -12.102 10.884 -6.821
425 1HD2 LEU 50 1HD2 LEU 50 -14.030 13.487 -8.210
426 2HD2 LEU 50 2HD2 LEU 50 -13.074 12.061 -8.610
427 3HD2 LEU 50 3HD2 LEU 50 -14.326 11.964 -7.371
428 H GLU 51 H GLU 51 -9.840 13.682 -10.850
429 HA GLU 51 HA GLU 51 -8.103 15.881 -10.682
430 1HB GLU 51 1HB GLU 51 -8.013 14.191 -12.473
431 2HB GLU 51 2HB GLU 51 -9.533 14.793 -13.113
432 1HG GLU 51 1HG GLU 51 -8.486 16.954 -13.570
433 2HG GLU 51 2HG GLU 51 -6.958 16.340 -12.937
434 H1 GLY -1 H1 GLY -1 -3.185 -0.820 17.087
435 H2 GLY -1 H2 GLY -1 -3.496 0.466 16.032
436 H3 GLY -1 H3 GLY -1 -4.777 -0.326 16.803
437 1HA GLY -1 1HA GLY -1 -4.363 -0.903 14.379
438 2HA GLY -1 2HA GLY -1 -4.587 -2.227 15.510
439 H SER 0 H SER 0 -3.355 -3.819 14.702
440 HA SER 0 HA SER 0 -0.571 -3.764 14.997
441 1HB SER 0 1HB SER 0 -0.612 -5.924 13.731
442 2HB SER 0 2HB SER 0 -1.751 -5.867 15.074
443 HG SER 0 HG SER 0 -3.239 -6.282 13.672
444 H MET 1 H MET 1 -2.586 -3.446 12.087
445 HA MET 1 HA MET 1 -0.494 -1.937 10.802
446 1HB MET 1 1HB MET 1 0.174 -4.244 10.301
447 2HB MET 1 2HB MET 1 -1.414 -4.564 9.625
448 1HG MET 1 1HG MET 1 0.252 -4.193 7.891
449 2HG MET 1 2HG MET 1 -1.015 -2.968 7.850
450 1HE MET 1 1HE MET 1 1.496 -2.616 6.243
451 2HE MET 1 2HE MET 1 0.442 -1.208 6.385
452 3HE MET 1 3HE MET 1 2.176 -1.043 6.664
453 H GLN 2 H GLN 2 -2.843 -0.940 11.555
454 HA GLN 2 HA GLN 2 -4.996 -1.160 9.777
455 1HB GLN 2 1HB GLN 2 -5.635 1.098 10.705
456 2HB GLN 2 2HB GLN 2 -5.350 -0.149 11.909
457 1HG GLN 2 1HG GLN 2 -3.034 0.765 12.177
458 2HG GLN 2 2HG GLN 2 -3.514 2.104 11.140
459 1HE2 GLN 2 2HE2 GLN 2 -3.183 1.133 14.259
460 2HE2 GLN 2 1HE2 GLN 2 -4.248 2.253 15.027
461 H ILE 3 H ILE 3 -4.864 -0.832 7.676
462 HA ILE 3 HA ILE 3 -2.953 0.903 6.455
463 HB ILE 3 HB ILE 3 -4.181 0.296 4.340
464 1HG1 ILE 3 1HG1 ILE 3 -5.714 -1.529 6.192
465 2HG1 ILE 3 2HG1 ILE 3 -6.380 -0.114 5.388
466 1HG2 ILE 3 1HG2 ILE 3 -2.206 -0.916 5.189
467 2HG2 ILE 3 2HG2 ILE 3 -3.288 -2.027 6.031
468 3HG2 ILE 3 3HG2 ILE 3 -3.305 -1.944 4.269
469 1HD1 ILE 3 1HD1 ILE 3 -5.208 -1.705 3.388
470 2HD1 ILE 3 2HD1 ILE 3 -6.142 -2.782 4.427
471 3HD1 ILE 3 3HD1 ILE 3 -6.920 -1.390 3.672
472 H PHE 4 H PHE 4 -3.171 2.933 5.782
473 HA PHE 4 HA PHE 4 -5.683 4.319 6.280
474 1HB PHE 4 1HB PHE 4 -2.972 5.366 5.423
475 2HB PHE 4 2HB PHE 4 -4.371 6.371 5.771
476 HD1 PHE 4 HD1 PHE 4 -2.604 3.549 7.479
477 HD2 PHE 4 HD2 PHE 4 -4.250 7.464 7.765
478 HE1 PHE 4 HE1 PHE 4 -1.949 3.648 9.849
479 HE2 PHE 4 HE2 PHE 4 -3.597 7.569 10.135
480 HZ PHE 4 HZ PHE 4 -2.445 5.660 11.179
481 H VAL 5 H VAL 5 -7.047 4.993 4.687
482 HA VAL 5 HA VAL 5 -6.099 4.995 1.917
483 HB VAL 5 HB VAL 5 -8.524 3.432 2.813
484 1HG1 VAL 5 1HG1 VAL 5 -5.738 2.671 2.265
485 2HG1 VAL 5 2HG1 VAL 5 -6.957 1.887 3.270
486 3HG1 VAL 5 3HG1 VAL 5 -6.970 1.650 1.522
487 1HG2 VAL 5 1HG2 VAL 5 -7.925 4.634 0.322
488 2HG2 VAL 5 2HG2 VAL 5 -7.762 2.888 0.130
489 3HG2 VAL 5 3HG2 VAL 5 -9.273 3.571 0.733
490 H LYS 6 H LYS 6 -6.912 6.631 0.767
491 HA LYS 6 HA LYS 6 -8.961 8.305 1.996
492 1HB LYS 6 1HB LYS 6 -7.241 8.760 -0.451
493 2HB LYS 6 2HB LYS 6 -8.368 9.927 0.221
494 1HG LYS 6 1HG LYS 6 -7.065 9.995 2.289
495 2HG LYS 6 2HG LYS 6 -5.931 8.829 1.607
496 1HD LYS 6 1HD LYS 6 -5.375 10.407 -0.175
497 2HD LYS 6 2HD LYS 6 -6.519 11.570 0.493
498 1HE LYS 6 1HE LYS 6 -5.218 11.665 2.560
499 2HE LYS 6 2HE LYS 6 -4.076 10.495 1.898
500 1HZ LYS 6 1HZ LYS 6 -3.688 12.141 0.067
501 2HZ LYS 6 2HZ LYS 6 -4.567 13.267 0.972
502 3HZ LYS 6 3HZ LYS 6 -3.134 12.619 1.592
503 H THR 7 H THR 7 -11.032 8.192 1.403
504 HA THR 7 HA THR 7 -11.881 6.417 -0.653
505 HB THR 7 HB THR 7 -14.162 7.252 -0.162
506 HG1 THR 7 HG1 THR 7 -14.454 9.031 0.980
507 1HG2 THR 7 1HG2 THR 7 -13.136 5.461 1.200
508 2HG2 THR 7 2HG2 THR 7 -12.552 6.684 2.329
509 3HG2 THR 7 3HG2 THR 7 -14.285 6.435 2.119
510 H LEU 8 H LEU 8 -14.093 7.923 -1.682
511 HA LEU 8 HA LEU 8 -12.740 9.228 -3.866
512 1HB LEU 8 1HB LEU 8 -15.670 8.766 -3.307
513 2HB LEU 8 2HB LEU 8 -15.056 9.516 -4.766
514 HG LEU 8 HG LEU 8 -15.605 7.194 -5.193
515 1HD1 LEU 8 1HD1 LEU 8 -14.745 6.726 -2.624
516 2HD1 LEU 8 2HD1 LEU 8 -15.163 5.500 -3.821
517 3HD1 LEU 8 3HD1 LEU 8 -13.483 5.996 -3.616
518 1HD2 LEU 8 1HD2 LEU 8 -12.965 8.300 -5.515
519 2HD2 LEU 8 2HD2 LEU 8 -12.919 6.540 -5.423
520 3HD2 LEU 8 3HD2 LEU 8 -13.927 7.333 -6.632
521 H THR 9 H THR 9 -15.134 10.195 -1.417
522 HA THR 9 HA THR 9 -15.120 12.938 -2.185
523 HB THR 9 HB THR 9 -16.381 13.333 -0.107
524 HG1 THR 9 HG1 THR 9 -15.374 10.807 0.483
525 1HG2 THR 9 1HG2 THR 9 -17.249 10.915 -1.692
526 2HG2 THR 9 2HG2 THR 9 -18.294 11.825 -0.601
527 3HG2 THR 9 3HG2 THR 9 -17.631 12.602 -2.038
528 H GLY 10 H GLY 10 -13.591 11.133 0.476
529 1HA GLY 10 1HA GLY 10 -12.269 13.520 1.448
530 2HA GLY 10 2HA GLY 10 -11.211 12.389 0.619
531 H LYS 11 H LYS 11 -13.958 11.392 2.545
532 HA LYS 11 HA LYS 11 -12.925 11.104 5.050
533 1HB LYS 11 1HB LYS 11 -15.231 10.557 4.534
534 2HB LYS 11 2HB LYS 11 -14.723 9.174 3.578
535 1HG LYS 11 1HG LYS 11 -13.781 8.154 5.624
536 2HG LYS 11 2HG LYS 11 -14.418 9.511 6.554
537 1HD LYS 11 1HD LYS 11 -16.064 7.599 4.899
538 2HD LYS 11 2HD LYS 11 -15.892 7.547 6.654
539 1HE LYS 11 1HE LYS 11 -16.887 9.775 6.816
540 2HE LYS 11 2HE LYS 11 -17.062 9.823 5.062
541 1HZ LYS 11 1HZ LYS 11 -18.297 7.691 6.696
542 2HZ LYS 11 2HZ LYS 11 -19.086 9.157 6.399
543 3HZ LYS 11 3HZ LYS 11 -18.669 8.146 5.110
544 H THR 12 H THR 12 -11.377 9.974 6.002
545 HA THR 12 HA THR 12 -9.835 8.066 4.433
546 HB THR 12 HB THR 12 -9.325 9.084 7.232
547 HG1 THR 12 HG1 THR 12 -9.030 10.847 5.989
548 1HG2 THR 12 1HG2 THR 12 -8.249 6.883 6.171
549 2HG2 THR 12 2HG2 THR 12 -7.160 8.081 5.470
550 3HG2 THR 12 3HG2 THR 12 -7.339 7.968 7.221
551 H ILE 13 H ILE 13 -9.670 5.901 4.883
552 HA ILE 13 HA ILE 13 -11.457 4.892 6.993
553 HB ILE 13 HB ILE 13 -11.444 2.747 5.644
554 1HG1 ILE 13 1HG1 ILE 13 -10.433 4.617 3.494
555 2HG1 ILE 13 2HG1 ILE 13 -9.499 3.323 4.234
556 1HG2 ILE 13 1HG2 ILE 13 -12.828 5.271 5.026
557 2HG2 ILE 13 2HG2 ILE 13 -12.966 3.983 3.823
558 3HG2 ILE 13 3HG2 ILE 13 -13.473 3.693 5.488
559 1HD1 ILE 13 1HD1 ILE 13 -11.823 2.095 3.346
560 2HD1 ILE 13 2HD1 ILE 13 -11.377 3.221 2.062
561 3HD1 ILE 13 3HD1 ILE 13 -10.221 2.009 2.614
562 H THR 14 H THR 14 -10.618 3.783 8.588
563 HA THR 14 HA THR 14 -7.810 2.960 8.437
564 HB THR 14 HB THR 14 -9.469 2.742 10.931
565 HG1 THR 14 HG1 THR 14 -9.772 4.844 10.826
566 1HG2 THR 14 1HG2 THR 14 -6.619 2.816 10.163
567 2HG2 THR 14 2HG2 THR 14 -7.043 3.673 11.647
568 3HG2 THR 14 3HG2 THR 14 -7.415 1.956 11.483
569 H LEU 15 H LEU 15 -7.235 0.794 8.511
570 HA LEU 15 HA LEU 15 -9.217 -1.196 9.207
571 1HB LEU 15 1HB LEU 15 -9.811 -0.525 6.911
572 2HB LEU 15 2HB LEU 15 -8.195 -0.927 6.378
573 HG LEU 15 HG LEU 15 -10.147 -2.943 7.485
574 1HD1 LEU 15 1HD1 LEU 15 -9.507 -2.109 4.666
575 2HD1 LEU 15 2HD1 LEU 15 -10.264 -3.651 5.066
576 3HD1 LEU 15 3HD1 LEU 15 -11.082 -2.139 5.460
577 1HD2 LEU 15 1HD2 LEU 15 -7.397 -3.085 6.328
578 2HD2 LEU 15 2HD2 LEU 15 -8.063 -3.894 7.749
579 3HD2 LEU 15 3HD2 LEU 15 -8.516 -4.438 6.133
580 H GLU 16 H GLU 16 -8.082 -2.560 10.411
581 HA GLU 16 HA GLU 16 -5.260 -2.880 10.223
582 1HB GLU 16 1HB GLU 16 -6.422 -3.080 12.351
583 2HB GLU 16 2HB GLU 16 -7.343 -4.449 11.747
584 1HG GLU 16 1HG GLU 16 -5.239 -5.718 11.512
585 2HG GLU 16 2HG GLU 16 -4.375 -4.356 12.227
586 H VAL 17 H VAL 17 -4.053 -4.481 9.343
587 HA VAL 17 HA VAL 17 -5.204 -6.927 8.341
588 HB VAL 17 HB VAL 17 -4.112 -6.430 6.016
589 1HG1 VAL 17 1HG1 VAL 17 -6.755 -6.183 7.056
590 2HG1 VAL 17 2HG1 VAL 17 -6.514 -4.987 5.784
591 3HG1 VAL 17 3HG1 VAL 17 -6.235 -6.695 5.451
592 1HG2 VAL 17 1HG2 VAL 17 -3.818 -3.941 7.272
593 2HG2 VAL 17 2HG2 VAL 17 -3.496 -4.345 5.584
594 3HG2 VAL 17 3HG2 VAL 17 -5.082 -3.738 6.059
595 H GLU 18 H GLU 18 -3.729 -8.517 8.305
596 HA GLU 18 HA GLU 18 -1.150 -8.068 9.374
597 1HB GLU 18 1HB GLU 18 -2.197 -10.517 7.945
598 2HB GLU 18 2HB GLU 18 -0.788 -10.452 8.995
599 1HG GLU 18 1HG GLU 18 -3.618 -9.897 9.854
600 2HG GLU 18 2HG GLU 18 -2.760 -11.419 10.094
601 HA PRO 19 HA PRO 19 1.235 -6.842 5.853
602 1HB PRO 19 1HB PRO 19 3.541 -8.261 6.566
603 2HB PRO 19 2HB PRO 19 3.155 -6.609 7.034
604 1HG PRO 19 1HG PRO 19 2.824 -9.137 8.563
605 2HG PRO 19 2HG PRO 19 3.249 -7.519 9.146
606 1HD PRO 19 1HD PRO 19 0.796 -8.532 9.506
607 2HD PRO 19 2HD PRO 19 1.037 -6.806 9.161
608 H SER 20 H SER 20 1.306 -10.204 6.911
609 HA SER 20 HA SER 20 2.309 -11.318 4.535
610 1HB SER 20 1HB SER 20 2.319 -12.513 6.665
611 2HB SER 20 2HB SER 20 0.558 -12.561 6.663
612 HG SER 20 HG SER 20 1.529 -14.509 5.883
613 H ASP 21 H ASP 21 -0.921 -10.385 5.509
614 HA ASP 21 HA ASP 21 -2.446 -11.841 3.696
615 1HB ASP 21 1HB ASP 21 -2.910 -9.028 4.709
616 2HB ASP 21 2HB ASP 21 -4.117 -10.015 3.897
617 H THR 22 H THR 22 -2.866 -11.706 1.571
618 HA THR 22 HA THR 22 -1.118 -10.358 -0.152
619 HB THR 22 HB THR 22 -2.631 -11.017 -1.972
620 HG1 THR 22 HG1 THR 22 -4.616 -11.904 -1.530
621 1HG2 THR 22 1HG2 THR 22 -1.070 -12.667 -1.075
622 2HG2 THR 22 2HG2 THR 22 -2.272 -13.166 0.116
623 3HG2 THR 22 3HG2 THR 22 -2.568 -13.435 -1.602
624 H ILE 23 H ILE 23 -1.358 -8.588 -1.488
625 HA ILE 23 HA ILE 23 -2.667 -6.340 -0.463
626 HB ILE 23 HB ILE 23 -1.778 -6.799 -3.317
627 1HG1 ILE 23 1HG1 ILE 23 -0.295 -5.570 -0.980
628 2HG1 ILE 23 2HG1 ILE 23 0.028 -7.156 -1.670
629 1HG2 ILE 23 1HG2 ILE 23 -3.364 -4.852 -2.745
630 2HG2 ILE 23 2HG2 ILE 23 -1.963 -4.146 -1.938
631 3HG2 ILE 23 3HG2 ILE 23 -1.901 -4.500 -3.665
632 1HD1 ILE 23 1HD1 ILE 23 0.209 -5.511 -3.851
633 2HD1 ILE 23 2HD1 ILE 23 0.882 -4.524 -2.554
634 3HD1 ILE 23 3HD1 ILE 23 1.563 -6.116 -2.894
635 H GLU 24 H GLU 24 -3.694 -8.814 -2.677
636 HA GLU 24 HA GLU 24 -5.943 -7.510 -3.769
637 1HB GLU 24 1HB GLU 24 -5.109 -9.405 -4.916
638 2HB GLU 24 2HB GLU 24 -5.148 -10.399 -3.466
639 1HG GLU 24 1HG GLU 24 -7.554 -10.408 -3.496
640 2HG GLU 24 2HG GLU 24 -7.566 -9.338 -4.895
641 H ASN 25 H ASN 25 -5.451 -9.437 -0.859
642 HA ASN 25 HA ASN 25 -8.218 -9.655 -0.207
643 1HB ASN 25 1HB ASN 25 -5.736 -10.018 1.476
644 2HB ASN 25 2HB ASN 25 -7.365 -10.357 2.043
645 1HD2 ASN 25 2HD2 ASN 25 -7.391 -11.077 -1.148
646 2HD2 ASN 25 1HD2 ASN 25 -7.010 -12.758 -1.071
647 H VAL 26 H VAL 26 -5.590 -7.549 0.951
648 HA VAL 26 HA VAL 26 -7.064 -6.152 2.859
649 HB VAL 26 HB VAL 26 -5.398 -4.383 2.690
650 1HG1 VAL 26 1HG1 VAL 26 -4.417 -7.215 2.612
651 2HG1 VAL 26 2HG1 VAL 26 -3.333 -5.861 2.932
652 3HG1 VAL 26 3HG1 VAL 26 -4.689 -6.177 4.013
653 1HG2 VAL 26 1HG2 VAL 26 -5.268 -5.011 0.025
654 2HG2 VAL 26 2HG2 VAL 26 -4.163 -3.941 0.887
655 3HG2 VAL 26 3HG2 VAL 26 -3.744 -5.637 0.653
656 H LYS 27 H LYS 27 -6.678 -5.559 -0.611
657 HA LYS 27 HA LYS 27 -8.106 -3.112 -0.665
658 1HB LYS 27 1HB LYS 27 -7.552 -5.152 -2.821
659 2HB LYS 27 2HB LYS 27 -8.354 -3.619 -3.123
660 1HG LYS 27 1HG LYS 27 -6.358 -2.436 -2.313
661 2HG LYS 27 2HG LYS 27 -5.555 -3.989 -2.081
662 1HD LYS 27 1HD LYS 27 -5.715 -4.468 -4.446
663 2HD LYS 27 2HD LYS 27 -6.638 -2.988 -4.713
664 1HE LYS 27 1HE LYS 27 -3.787 -3.147 -3.743
665 2HE LYS 27 2HE LYS 27 -4.303 -2.711 -5.370
666 1HZ LYS 27 1HZ LYS 27 -5.595 -1.109 -3.406
667 2HZ LYS 27 2HZ LYS 27 -3.913 -0.998 -3.269
668 3HZ LYS 27 3HZ LYS 27 -4.667 -0.634 -4.737
669 H ALA 28 H ALA 28 -9.049 -6.484 -1.069
670 HA ALA 28 HA ALA 28 -11.643 -6.190 -1.971
671 1HB ALA 28 1HB ALA 28 -12.054 -8.369 -0.693
672 2HB ALA 28 2HB ALA 28 -10.794 -8.367 -1.926
673 3HB ALA 28 3HB ALA 28 -10.359 -8.260 -0.220
674 H LYS 29 H LYS 29 -10.427 -6.070 1.352
675 HA LYS 29 HA LYS 29 -12.935 -5.870 2.634
676 1HB LYS 29 1HB LYS 29 -10.388 -4.614 3.649
677 2HB LYS 29 2HB LYS 29 -11.719 -5.278 4.584
678 1HG LYS 29 1HG LYS 29 -11.128 -7.526 3.832
679 2HG LYS 29 2HG LYS 29 -9.792 -6.850 2.894
680 1HD LYS 29 1HD LYS 29 -8.773 -6.007 4.949
681 2HD LYS 29 2HD LYS 29 -10.112 -6.664 5.890
682 1HE LYS 29 1HE LYS 29 -8.172 -8.257 4.220
683 2HE LYS 29 2HE LYS 29 -8.157 -8.129 5.977
684 1HZ LYS 29 1HZ LYS 29 -10.711 -8.939 5.045
685 2HZ LYS 29 2HZ LYS 29 -9.515 -9.984 4.464
686 3HZ LYS 29 3HZ LYS 29 -9.673 -9.719 6.127
687 H ILE 30 H ILE 30 -10.652 -3.463 1.423
688 HA ILE 30 HA ILE 30 -11.894 -1.155 2.342
689 HB ILE 30 HB ILE 30 -10.437 -1.539 -0.277
690 1HG1 ILE 30 1HG1 ILE 30 -9.422 -0.637 2.428
691 2HG1 ILE 30 2HG1 ILE 30 -9.113 -2.206 1.694
692 1HG2 ILE 30 1HG2 ILE 30 -11.384 0.884 1.206
693 2HG2 ILE 30 2HG2 ILE 30 -9.931 0.971 0.208
694 3HG2 ILE 30 3HG2 ILE 30 -11.473 0.518 -0.518
695 1HD1 ILE 30 1HD1 ILE 30 -8.293 0.362 0.385
696 2HD1 ILE 30 2HD1 ILE 30 -7.269 -0.490 1.541
697 3HD1 ILE 30 3HD1 ILE 30 -7.740 -1.276 0.035
698 H GLN 31 H GLN 31 -12.605 -3.208 -0.418
699 HA GLN 31 HA GLN 31 -14.472 -1.536 -1.710
700 1HB GLN 31 1HB GLN 31 -14.414 -4.558 -1.604
701 2HB GLN 31 2HB GLN 31 -15.283 -3.589 -2.781
702 1HG GLN 31 1HG GLN 31 -13.160 -2.725 -3.626
703 2HG GLN 31 2HG GLN 31 -12.296 -3.710 -2.451
704 1HE2 GLN 31 2HE2 GLN 31 -11.461 -5.464 -3.300
705 2HE2 GLN 31 1HE2 GLN 31 -12.136 -6.403 -4.583
706 H ASP 32 H ASP 32 -14.717 -3.966 0.823
707 HA ASP 32 HA ASP 32 -17.511 -3.924 1.116
708 1HB ASP 32 1HB ASP 32 -16.066 -5.696 2.064
709 2HB ASP 32 2HB ASP 32 -15.407 -4.528 3.205
710 H LYS 33 H LYS 33 -14.915 -1.977 2.391
711 HA LYS 33 HA LYS 33 -16.289 -0.578 4.382
712 1HB LYS 33 1HB LYS 33 -13.804 -0.174 2.829
713 2HB LYS 33 2HB LYS 33 -14.490 1.258 3.582
714 1HG LYS 33 1HG LYS 33 -13.733 -1.289 4.995
715 2HG LYS 33 2HG LYS 33 -12.819 0.222 5.009
716 1HD LYS 33 1HD LYS 33 -14.836 1.328 6.004
717 2HD LYS 33 2HD LYS 33 -15.563 -0.272 6.154
718 1HE LYS 33 1HE LYS 33 -14.536 0.421 8.250
719 2HE LYS 33 2HE LYS 33 -13.719 -0.987 7.577
720 1HZ LYS 33 1HZ LYS 33 -12.481 1.347 6.616
721 2HZ LYS 33 2HZ LYS 33 -12.595 1.450 8.301
722 3HZ LYS 33 3HZ LYS 33 -11.823 0.126 7.583
723 H GLU 34 H GLU 34 -16.030 0.002 0.912
724 HA GLU 34 HA GLU 34 -18.243 1.905 1.145
725 1HB GLU 34 1HB GLU 34 -15.700 2.463 -0.390
726 2HB GLU 34 2HB GLU 34 -17.133 3.477 -0.393
727 1HG GLU 34 1HG GLU 34 -15.459 2.857 2.030
728 2HG GLU 34 2HG GLU 34 -15.348 4.329 1.066
729 H GLY 35 H GLY 35 -16.053 0.539 -1.331
730 1HA GLY 35 1HA GLY 35 -18.427 0.029 -3.002
731 2HA GLY 35 2HA GLY 35 -17.277 -1.262 -2.691
732 H ILE 36 H ILE 36 -14.884 0.086 -2.891
733 HA ILE 36 HA ILE 36 -14.910 1.129 -5.643
734 HB ILE 36 HB ILE 36 -12.390 1.586 -4.397
735 1HG1 ILE 36 1HG1 ILE 36 -13.240 3.244 -2.652
736 2HG1 ILE 36 2HG1 ILE 36 -14.786 2.408 -2.756
737 1HG2 ILE 36 1HG2 ILE 36 -14.520 3.084 -5.741
738 2HG2 ILE 36 2HG2 ILE 36 -13.502 4.032 -4.654
739 3HG2 ILE 36 3HG2 ILE 36 -12.770 3.117 -5.976
740 1HD1 ILE 36 1HD1 ILE 36 -13.188 0.310 -2.329
741 2HD1 ILE 36 2HD1 ILE 36 -12.252 1.567 -1.519
742 3HD1 ILE 36 3HD1 ILE 36 -13.917 1.255 -1.029
743 HA PRO 37 HA PRO 37 -12.915 -2.608 -7.008
744 1HB PRO 37 1HB PRO 37 -11.661 -0.713 -8.941
745 2HB PRO 37 2HB PRO 37 -12.490 -2.243 -9.244
746 1HG PRO 37 1HG PRO 37 -13.697 0.070 -9.756
747 2HG PRO 37 2HG PRO 37 -14.599 -1.285 -9.054
748 1HD PRO 37 1HD PRO 37 -13.584 1.199 -7.745
749 2HD PRO 37 2HD PRO 37 -15.079 0.292 -7.442
750 HA PRO 38 HA PRO 38 -9.034 -2.383 -4.850
751 1HB PRO 38 1HB PRO 38 -7.830 -4.532 -6.125
752 2HB PRO 38 2HB PRO 38 -8.896 -4.650 -4.725
753 1HG PRO 38 1HG PRO 38 -9.515 -5.046 -7.619
754 2HG PRO 38 2HG PRO 38 -10.103 -5.949 -6.213
755 1HD PRO 38 1HD PRO 38 -11.639 -4.131 -7.442
756 2HD PRO 38 2HD PRO 38 -11.679 -4.331 -5.678
757 H ASP 39 H ASP 39 -9.167 -2.641 -8.356
758 HA ASP 39 HA ASP 39 -6.482 -1.996 -8.892
759 1HB ASP 39 1HB ASP 39 -7.937 -3.013 -10.570
760 2HB ASP 39 2HB ASP 39 -8.943 -1.571 -10.596
761 H GLN 40 H GLN 40 -9.340 0.007 -8.361
762 HA GLN 40 HA GLN 40 -8.236 2.419 -9.269
763 1HB GLN 40 1HB GLN 40 -10.408 1.925 -7.234
764 2HB GLN 40 2HB GLN 40 -10.032 3.497 -7.930
765 1HG GLN 40 1HG GLN 40 -10.532 2.587 -10.169
766 2HG GLN 40 2HG GLN 40 -10.992 1.063 -9.418
767 1HE2 GLN 40 2HE2 GLN 40 -11.884 3.381 -7.297
768 2HE2 GLN 40 1HE2 GLN 40 -13.515 3.628 -7.802
769 H GLN 41 H GLN 41 -8.248 0.931 -6.047
770 HA GLN 41 HA GLN 41 -7.120 3.083 -4.649
771 1HB GLN 41 1HB GLN 41 -7.011 0.109 -4.170
772 2HB GLN 41 2HB GLN 41 -6.278 1.265 -3.069
773 1HG GLN 41 1HG GLN 41 -8.430 0.618 -2.240
774 2HG GLN 41 2HG GLN 41 -8.476 2.308 -2.732
775 1HE2 GLN 41 2HE2 GLN 41 -10.015 -0.625 -2.911
776 2HE2 GLN 41 1HE2 GLN 41 -11.075 -0.297 -4.233
777 H ARG 42 H ARG 42 -5.164 3.976 -4.725
778 HA ARG 42 HA ARG 42 -3.089 2.661 -6.250
779 1HB ARG 42 1HB ARG 42 -3.266 5.455 -5.139
780 2HB ARG 42 2HB ARG 42 -1.898 4.843 -6.057
781 1HG ARG 42 1HG ARG 42 -3.370 4.451 -7.976
782 2HG ARG 42 2HG ARG 42 -4.728 5.096 -7.055
783 1HD ARG 42 1HD ARG 42 -3.581 7.246 -6.869
784 2HD ARG 42 2HD ARG 42 -2.220 6.602 -7.784
785 HE ARG 42 HE ARG 42 -4.580 7.677 -8.861
786 1HH1 ARG 42 1HH1 ARG 42 -2.394 4.998 -9.316
787 2HH1 ARG 42 2HH1 ARG 42 -2.743 4.835 -11.005
788 1HH2 ARG 42 1HH2 ARG 42 -5.043 7.467 -11.082
789 2HH2 ARG 42 2HH2 ARG 42 -4.248 6.238 -12.008
790 H LEU 43 H LEU 43 -1.407 1.659 -5.382
791 HA LEU 43 HA LEU 43 -1.171 1.520 -2.518
792 1HB LEU 43 1HB LEU 43 -0.798 -0.312 -4.373
793 2HB LEU 43 2HB LEU 43 0.834 0.327 -4.380
794 HG LEU 43 HG LEU 43 1.115 -0.235 -2.044
795 1HD1 LEU 43 1HD1 LEU 43 -1.527 0.095 -1.766
796 2HD1 LEU 43 2HD1 LEU 43 -1.463 -1.665 -1.864
797 3HD1 LEU 43 3HD1 LEU 43 -0.544 -0.818 -0.619
798 1HD2 LEU 43 1HD2 LEU 43 0.641 -2.121 -4.121
799 2HD2 LEU 43 2HD2 LEU 43 1.740 -2.242 -2.748
800 3HD2 LEU 43 3HD2 LEU 43 0.075 -2.805 -2.597
801 H ILE 44 H ILE 44 0.204 2.602 -1.246
802 HA ILE 44 HA ILE 44 2.575 3.865 -2.403
803 HB ILE 44 HB ILE 44 0.506 5.385 -0.816
804 1HG1 ILE 44 1HG1 ILE 44 1.499 5.726 -3.654
805 2HG1 ILE 44 2HG1 ILE 44 -0.066 5.070 -3.190
806 1HG2 ILE 44 1HG2 ILE 44 3.233 5.751 -0.753
807 2HG2 ILE 44 2HG2 ILE 44 2.700 6.907 -1.973
808 3HG2 ILE 44 3HG2 ILE 44 2.016 6.961 -0.348
809 1HD1 ILE 44 1HD1 ILE 44 0.372 7.654 -2.002
810 2HD1 ILE 44 2HD1 ILE 44 0.539 7.708 -3.756
811 3HD1 ILE 44 3HD1 ILE 44 -0.945 7.091 -3.030
812 H PHE 45 H PHE 45 4.298 3.919 -1.056
813 HA PHE 45 HA PHE 45 3.869 3.101 1.746
814 1HB PHE 45 1HB PHE 45 6.228 2.403 -0.019
815 2HB PHE 45 2HB PHE 45 6.028 1.935 1.663
816 HD1 PHE 45 HD1 PHE 45 3.932 1.739 -1.432
817 HD2 PHE 45 HD2 PHE 45 5.557 -0.270 1.948
818 HE1 PHE 45 HE1 PHE 45 2.828 -0.340 -2.143
819 HE2 PHE 45 HE2 PHE 45 4.453 -2.353 1.244
820 HZ PHE 45 HZ PHE 45 3.088 -2.390 -0.804
821 H ALA 46 H ALA 46 5.173 4.085 3.330
822 HA ALA 46 HA ALA 46 7.166 6.034 2.527
823 1HB ALA 46 1HB ALA 46 5.510 7.600 2.331
824 2HB ALA 46 2HB ALA 46 4.480 6.826 3.535
825 3HB ALA 46 3HB ALA 46 5.885 7.761 4.047
826 H GLY 47 H GLY 47 8.787 5.924 3.922
827 1HA GLY 47 1HA GLY 47 9.994 5.297 5.779
828 2HA GLY 47 2HA GLY 47 8.579 4.424 6.341
829 H LYS 48 H LYS 48 10.601 6.354 7.580
830 HA LYS 48 HA LYS 48 8.842 7.534 9.449
831 1HB LYS 48 1HB LYS 48 11.753 8.120 8.912
832 2HB LYS 48 2HB LYS 48 10.855 8.654 10.327
833 1HG LYS 48 1HG LYS 48 10.469 6.294 10.932
834 2HG LYS 48 2HG LYS 48 11.467 5.809 9.557
835 1HD LYS 48 1HD LYS 48 13.362 7.036 10.506
836 2HD LYS 48 2HD LYS 48 12.362 7.506 11.883
837 1HE LYS 48 1HE LYS 48 12.088 5.154 12.488
838 2HE LYS 48 2HE LYS 48 13.078 4.680 11.109
839 1HZ LYS 48 1HZ LYS 48 14.145 6.529 13.140
840 2HZ LYS 48 2HZ LYS 48 14.162 4.860 13.416
841 3HZ LYS 48 3HZ LYS 48 14.983 5.506 12.086
842 H GLN 49 H GLN 49 7.716 9.307 9.365
843 HA GLN 49 HA GLN 49 7.950 11.117 7.155
844 1HB GLN 49 1HB GLN 49 6.316 11.349 9.694
845 2HB GLN 49 2HB GLN 49 6.133 12.354 8.265
846 1HG GLN 49 1HG GLN 49 5.477 10.393 6.966
847 2HG GLN 49 2HG GLN 49 5.659 9.385 8.402
848 1HE2 GLN 49 2HE2 GLN 49 3.822 8.918 9.350
849 2HE2 GLN 49 1HE2 GLN 49 2.415 9.915 9.406
850 H LEU 50 H LEU 50 9.725 12.341 7.107
851 HA LEU 50 HA LEU 50 11.309 13.137 9.218
852 1HB LEU 50 1HB LEU 50 10.857 14.434 6.539
853 2HB LEU 50 2HB LEU 50 12.057 15.012 7.673
854 HG LEU 50 HG LEU 50 13.100 13.618 5.985
855 1HD1 LEU 50 1HD1 LEU 50 10.916 11.738 6.708
856 2HD1 LEU 50 2HD1 LEU 50 11.604 12.130 5.128
857 3HD1 LEU 50 3HD1 LEU 50 12.482 11.066 6.235
858 1HD2 LEU 50 1HD2 LEU 50 13.370 13.300 8.734
859 2HD2 LEU 50 2HD2 LEU 50 13.351 11.659 8.087
860 3HD2 LEU 50 3HD2 LEU 50 14.527 12.830 7.489
861 H GLU 51 H GLU 51 9.792 13.715 10.871
862 HA GLU 51 HA GLU 51 8.050 15.917 10.716
863 1HB GLU 51 1HB GLU 51 7.876 14.237 12.478
864 2HB GLU 51 2HB GLU 51 9.437 14.720 13.122
865 1HG GLU 51 1HG GLU 51 8.540 16.918 13.676
866 2HG GLU 51 2HG GLU 51 6.975 16.447 13.015
No H/Q in entry = 866
Start of MODEL 10
1 H1 GLY -1 H1 GLY -1 5.000 -6.460 -15.231
2 H2 GLY -1 H2 GLY -1 4.869 -6.346 -16.914
3 H3 GLY -1 H3 GLY -1 6.189 -5.650 -16.119
4 1HA GLY -1 1HA GLY -1 4.208 -4.174 -16.890
5 2HA GLY -1 2HA GLY -1 5.016 -3.867 -15.360
6 H SER 0 H SER 0 3.999 -5.853 -13.760
7 HA SER 0 HA SER 0 1.222 -6.223 -13.906
8 1HB SER 0 1HB SER 0 2.650 -7.598 -12.469
9 2HB SER 0 2HB SER 0 3.012 -6.195 -11.464
10 HG SER 0 HG SER 0 0.681 -6.092 -11.094
11 H MET 1 H MET 1 3.051 -3.979 -11.818
12 HA MET 1 HA MET 1 1.453 -1.747 -12.276
13 1HB MET 1 1HB MET 1 0.193 -1.675 -10.099
14 2HB MET 1 2HB MET 1 -0.392 -2.862 -11.257
15 1HG MET 1 1HG MET 1 0.771 -4.628 -10.050
16 2HG MET 1 2HG MET 1 1.390 -3.446 -8.902
17 1HE MET 1 1HE MET 1 -0.070 -1.753 -7.939
18 2HE MET 1 2HE MET 1 -1.834 -1.768 -7.982
19 3HE MET 1 3HE MET 1 -0.979 -2.497 -6.622
20 H GLN 2 H GLN 2 3.110 -0.381 -12.025
21 HA GLN 2 HA GLN 2 5.147 -0.680 -10.072
22 1HB GLN 2 1HB GLN 2 5.895 1.540 -10.824
23 2HB GLN 2 2HB GLN 2 5.563 0.476 -12.181
24 1HG GLN 2 1HG GLN 2 3.370 1.564 -12.458
25 2HG GLN 2 2HG GLN 2 3.781 2.669 -11.151
26 1HE2 GLN 2 2HE2 GLN 2 6.586 2.024 -12.735
27 2HE2 GLN 2 1HE2 GLN 2 6.605 3.352 -13.838
28 H ILE 3 H ILE 3 5.138 -0.112 -7.999
29 HA ILE 3 HA ILE 3 2.887 1.412 -6.954
30 HB ILE 3 HB ILE 3 3.740 0.763 -4.732
31 1HG1 ILE 3 1HG1 ILE 3 5.830 -0.758 -6.299
32 2HG1 ILE 3 2HG1 ILE 3 6.130 0.657 -5.294
33 1HG2 ILE 3 1HG2 ILE 3 2.128 -0.651 -5.892
34 2HG2 ILE 3 2HG2 ILE 3 3.448 -1.545 -6.644
35 3HG2 ILE 3 3HG2 ILE 3 3.223 -1.610 -4.896
36 1HD1 ILE 3 1HD1 ILE 3 4.790 -1.620 -3.987
37 2HD1 ILE 3 2HD1 ILE 3 6.480 -1.842 -4.442
38 3HD1 ILE 3 3HD1 ILE 3 6.022 -0.515 -3.374
39 H PHE 4 H PHE 4 3.029 3.374 -5.965
40 HA PHE 4 HA PHE 4 5.495 4.865 -6.381
41 1HB PHE 4 1HB PHE 4 2.744 5.729 -5.459
42 2HB PHE 4 2HB PHE 4 4.111 6.824 -5.625
43 HD1 PHE 4 HD1 PHE 4 3.864 8.190 -7.437
44 HD2 PHE 4 HD2 PHE 4 2.684 4.115 -7.775
45 HE1 PHE 4 HE1 PHE 4 3.293 8.555 -9.802
46 HE2 PHE 4 HE2 PHE 4 2.113 4.473 -10.141
47 HZ PHE 4 HZ PHE 4 2.417 6.695 -11.158
48 H VAL 5 H VAL 5 6.901 5.362 -4.783
49 HA VAL 5 HA VAL 5 6.028 5.167 -1.992
50 HB VAL 5 HB VAL 5 8.453 3.701 -3.034
51 1HG1 VAL 5 1HG1 VAL 5 6.356 2.635 -3.742
52 2HG1 VAL 5 2HG1 VAL 5 7.267 1.647 -2.601
53 3HG1 VAL 5 3HG1 VAL 5 5.853 2.545 -2.054
54 1HG2 VAL 5 1HG2 VAL 5 7.775 4.605 -0.444
55 2HG2 VAL 5 2HG2 VAL 5 7.610 2.849 -0.456
56 3HG2 VAL 5 3HG2 VAL 5 9.135 3.594 -0.931
57 H LYS 6 H LYS 6 6.960 6.653 -0.698
58 HA LYS 6 HA LYS 6 8.999 8.389 -1.875
59 1HB LYS 6 1HB LYS 6 7.038 9.469 -0.866
60 2HB LYS 6 2HB LYS 6 7.388 8.690 0.671
61 1HG LYS 6 1HG LYS 6 9.491 9.922 0.821
62 2HG LYS 6 2HG LYS 6 9.150 10.696 -0.725
63 1HD LYS 6 1HD LYS 6 7.443 10.929 1.753
64 2HD LYS 6 2HD LYS 6 8.600 12.140 1.195
65 1HE LYS 6 1HE LYS 6 6.167 11.188 -0.312
66 2HE LYS 6 2HE LYS 6 6.319 12.722 0.542
67 1HZ LYS 6 1HZ LYS 6 8.442 12.821 -1.069
68 2HZ LYS 6 2HZ LYS 6 7.376 11.931 -2.036
69 3HZ LYS 6 3HZ LYS 6 6.927 13.461 -1.471
70 H THR 7 H THR 7 11.081 8.067 -1.420
71 HA THR 7 HA THR 7 11.894 6.134 0.511
72 HB THR 7 HB THR 7 14.200 6.774 -0.099
73 HG1 THR 7 HG1 THR 7 12.848 8.953 -1.191
74 1HG2 THR 7 1HG2 THR 7 12.658 5.278 -1.534
75 2HG2 THR 7 2HG2 THR 7 12.618 6.647 -2.645
76 3HG2 THR 7 3HG2 THR 7 14.154 5.876 -2.253
77 H LEU 8 H LEU 8 14.287 7.416 1.460
78 HA LEU 8 HA LEU 8 13.167 8.726 3.768
79 1HB LEU 8 1HB LEU 8 16.070 8.280 3.081
80 2HB LEU 8 2HB LEU 8 15.423 8.703 4.652
81 HG LEU 8 HG LEU 8 15.126 6.080 3.194
82 1HD1 LEU 8 1HD1 LEU 8 17.234 6.455 4.393
83 2HD1 LEU 8 2HD1 LEU 8 16.324 6.779 5.867
84 3HD1 LEU 8 3HD1 LEU 8 16.267 5.177 5.130
85 1HD2 LEU 8 1HD2 LEU 8 13.007 6.767 4.306
86 2HD2 LEU 8 2HD2 LEU 8 13.730 5.298 4.957
87 3HD2 LEU 8 3HD2 LEU 8 13.888 6.821 5.832
88 H THR 9 H THR 9 15.517 9.626 1.248
89 HA THR 9 HA THR 9 15.766 12.313 2.114
90 HB THR 9 HB THR 9 17.535 11.332 0.802
91 HG1 THR 9 HG1 THR 9 17.298 12.980 -1.099
92 1HG2 THR 9 1HG2 THR 9 16.108 9.811 -0.545
93 2HG2 THR 9 2HG2 THR 9 15.585 11.198 -1.500
94 3HG2 THR 9 3HG2 THR 9 17.277 10.703 -1.517
95 H GLY 10 H GLY 10 13.863 10.793 -0.484
96 1HA GLY 10 1HA GLY 10 12.660 13.352 -1.162
97 2HA GLY 10 2HA GLY 10 11.593 12.201 -0.379
98 H LYS 11 H LYS 11 14.156 11.347 -2.624
99 HA LYS 11 HA LYS 11 12.849 11.335 -5.031
100 1HB LYS 11 1HB LYS 11 15.222 10.793 -4.797
101 2HB LYS 11 2HB LYS 11 14.812 9.270 -4.022
102 1HG LYS 11 1HG LYS 11 13.626 8.618 -6.127
103 2HG LYS 11 2HG LYS 11 14.292 10.069 -6.874
104 1HD LYS 11 1HD LYS 11 16.565 9.260 -6.341
105 2HD LYS 11 2HD LYS 11 15.855 7.778 -5.692
106 1HE LYS 11 1HE LYS 11 14.891 7.275 -7.876
107 2HE LYS 11 2HE LYS 11 15.577 8.760 -8.529
108 1HZ LYS 11 1HZ LYS 11 17.338 6.769 -7.270
109 2HZ LYS 11 2HZ LYS 11 16.812 6.533 -8.860
110 3HZ LYS 11 3HZ LYS 11 17.700 7.916 -8.458
111 H THR 12 H THR 12 11.261 10.233 -5.955
112 HA THR 12 HA THR 12 9.798 8.266 -4.433
113 HB THR 12 HB THR 12 9.332 9.159 -7.279
114 HG1 THR 12 HG1 THR 12 7.567 10.285 -5.727
115 1HG2 THR 12 1HG2 THR 12 8.135 7.135 -5.736
116 2HG2 THR 12 2HG2 THR 12 6.978 8.465 -5.788
117 3HG2 THR 12 3HG2 THR 12 7.590 7.769 -7.289
118 H ILE 13 H ILE 13 9.486 6.094 -5.006
119 HA ILE 13 HA ILE 13 11.326 5.068 -7.058
120 HB ILE 13 HB ILE 13 11.536 3.006 -5.600
121 1HG1 ILE 13 1HG1 ILE 13 10.543 4.939 -3.492
122 2HG1 ILE 13 2HG1 ILE 13 9.649 3.544 -4.089
123 1HG2 ILE 13 1HG2 ILE 13 12.784 5.647 -5.276
124 2HG2 ILE 13 2HG2 ILE 13 13.063 4.512 -3.950
125 3HG2 ILE 13 3HG2 ILE 13 13.514 4.071 -5.597
126 1HD1 ILE 13 1HD1 ILE 13 11.660 2.171 -3.307
127 2HD1 ILE 13 2HD1 ILE 13 12.107 3.611 -2.394
128 3HD1 ILE 13 3HD1 ILE 13 10.562 2.819 -2.088
129 H THR 14 H THR 14 10.489 3.784 -8.518
130 HA THR 14 HA THR 14 7.737 2.818 -8.145
131 HB THR 14 HB THR 14 7.890 2.532 -10.716
132 HG1 THR 14 HG1 THR 14 9.779 4.620 -10.516
133 1HG2 THR 14 1HG2 THR 14 7.373 4.903 -9.075
134 2HG2 THR 14 2HG2 THR 14 7.685 5.250 -10.776
135 3HG2 THR 14 3HG2 THR 14 6.385 4.148 -10.325
136 H LEU 15 H LEU 15 7.203 0.705 -8.536
137 HA LEU 15 HA LEU 15 8.993 -1.150 -9.728
138 1HB LEU 15 1HB LEU 15 9.658 -2.452 -7.878
139 2HB LEU 15 2HB LEU 15 10.014 -0.794 -7.447
140 HG LEU 15 HG LEU 15 7.661 -0.935 -6.256
141 1HD1 LEU 15 1HD1 LEU 15 10.204 -0.883 -5.400
142 2HD1 LEU 15 2HD1 LEU 15 8.819 -1.020 -4.316
143 3HD1 LEU 15 3HD1 LEU 15 9.715 -2.464 -4.788
144 1HD2 LEU 15 1HD2 LEU 15 7.903 -3.533 -7.223
145 2HD2 LEU 15 2HD2 LEU 15 8.286 -3.649 -5.505
146 3HD2 LEU 15 3HD2 LEU 15 6.750 -2.949 -6.021
147 H GLU 16 H GLU 16 7.746 -2.550 -10.717
148 HA GLU 16 HA GLU 16 4.953 -2.737 -10.156
149 1HB GLU 16 1HB GLU 16 4.941 -4.340 -12.044
150 2HB GLU 16 2HB GLU 16 5.732 -2.821 -12.442
151 1HG GLU 16 1HG GLU 16 7.917 -3.891 -12.054
152 2HG GLU 16 2HG GLU 16 7.089 -5.416 -11.750
153 H VAL 17 H VAL 17 3.793 -4.401 -9.292
154 HA VAL 17 HA VAL 17 5.069 -6.893 -8.554
155 HB VAL 17 HB VAL 17 4.193 -6.659 -6.157
156 1HG1 VAL 17 1HG1 VAL 17 6.561 -5.033 -7.057
157 2HG1 VAL 17 2HG1 VAL 17 6.256 -5.559 -5.402
158 3HG1 VAL 17 3HG1 VAL 17 6.554 -6.752 -6.665
159 1HG2 VAL 17 1HG2 VAL 17 3.203 -4.290 -7.044
160 2HG2 VAL 17 2HG2 VAL 17 3.494 -4.687 -5.351
161 3HG2 VAL 17 3HG2 VAL 17 4.698 -3.777 -6.262
162 H GLU 18 H GLU 18 3.671 -8.534 -8.594
163 HA GLU 18 HA GLU 18 1.085 -8.222 -9.602
164 1HB GLU 18 1HB GLU 18 2.204 -10.582 -8.081
165 2HB GLU 18 2HB GLU 18 0.807 -10.606 -9.148
166 1HG GLU 18 1HG GLU 18 2.236 -10.039 -11.041
167 2HG GLU 18 2HG GLU 18 3.638 -10.001 -9.973
168 HA PRO 19 HA PRO 19 -1.392 -7.019 -6.131
169 1HB PRO 19 1HB PRO 19 -3.670 -8.452 -6.839
170 2HB PRO 19 2HB PRO 19 -3.269 -6.832 -7.400
171 1HG PRO 19 1HG PRO 19 -2.872 -9.455 -8.756
172 2HG PRO 19 2HG PRO 19 -3.355 -7.898 -9.447
173 1HD PRO 19 1HD PRO 19 -0.863 -8.819 -9.734
174 2HD PRO 19 2HD PRO 19 -1.174 -7.091 -9.470
175 H SER 20 H SER 20 -1.416 -10.392 -7.161
176 HA SER 20 HA SER 20 -2.401 -11.496 -4.771
177 1HB SER 20 1HB SER 20 -2.404 -12.710 -6.893
178 2HB SER 20 2HB SER 20 -0.643 -12.740 -6.895
179 HG SER 20 HG SER 20 -0.642 -14.213 -5.326
180 H ASP 21 H ASP 21 0.806 -10.527 -5.771
181 HA ASP 21 HA ASP 21 2.376 -11.943 -3.971
182 1HB ASP 21 1HB ASP 21 3.303 -10.544 -5.773
183 2HB ASP 21 2HB ASP 21 2.783 -9.097 -4.917
184 H THR 22 H THR 22 2.860 -11.765 -1.853
185 HA THR 22 HA THR 22 1.065 -10.450 -0.126
186 HB THR 22 HB THR 22 2.565 -11.145 1.693
187 HG1 THR 22 HG1 THR 22 4.270 -12.026 -0.419
188 1HG2 THR 22 1HG2 THR 22 1.030 -12.736 0.211
189 2HG2 THR 22 2HG2 THR 22 2.587 -13.492 -0.127
190 3HG2 THR 22 3HG2 THR 22 2.016 -13.355 1.536
191 H ILE 23 H ILE 23 1.274 -8.662 1.168
192 HA ILE 23 HA ILE 23 2.573 -6.424 0.157
193 HB ILE 23 HB ILE 23 1.702 -6.889 3.013
194 1HG1 ILE 23 1HG1 ILE 23 0.221 -5.635 0.689
195 2HG1 ILE 23 2HG1 ILE 23 -0.103 -7.230 1.360
196 1HG2 ILE 23 1HG2 ILE 23 3.245 -4.986 2.730
197 2HG2 ILE 23 2HG2 ILE 23 2.143 -4.295 1.539
198 3HG2 ILE 23 3HG2 ILE 23 1.627 -4.480 3.215
199 1HD1 ILE 23 1HD1 ILE 23 -0.190 -4.958 3.243
200 2HD1 ILE 23 2HD1 ILE 23 -1.480 -5.062 2.043
201 3HD1 ILE 23 3HD1 ILE 23 -1.197 -6.404 3.152
202 H GLU 24 H GLU 24 3.619 -8.713 2.637
203 HA GLU 24 HA GLU 24 5.821 -7.337 3.628
204 1HB GLU 24 1HB GLU 24 6.693 -9.537 4.303
205 2HB GLU 24 2HB GLU 24 4.986 -9.365 4.676
206 1HG GLU 24 1HG GLU 24 4.425 -10.672 2.683
207 2HG GLU 24 2HG GLU 24 6.143 -10.862 2.335
208 H ASN 25 H ASN 25 5.623 -9.524 0.831
209 HA ASN 25 HA ASN 25 8.374 -9.421 0.184
210 1HB ASN 25 1HB ASN 25 5.930 -10.082 -1.460
211 2HB ASN 25 2HB ASN 25 7.565 -10.174 -2.107
212 1HD2 ASN 25 2HD2 ASN 25 8.198 -12.193 -2.202
213 2HD2 ASN 25 1HD2 ASN 25 7.936 -13.404 -0.998
214 H VAL 26 H VAL 26 5.577 -7.590 -1.005
215 HA VAL 26 HA VAL 26 6.818 -6.054 -2.948
216 HB VAL 26 HB VAL 26 4.484 -5.525 -1.141
217 1HG1 VAL 26 1HG1 VAL 26 4.900 -6.724 -3.700
218 2HG1 VAL 26 2HG1 VAL 26 3.420 -6.620 -2.745
219 3HG1 VAL 26 3HG1 VAL 26 3.835 -5.326 -3.871
220 1HG2 VAL 26 1HG2 VAL 26 6.009 -3.515 -2.540
221 2HG2 VAL 26 2HG2 VAL 26 4.347 -3.596 -3.126
222 3HG2 VAL 26 3HG2 VAL 26 4.666 -3.335 -1.411
223 H LYS 27 H LYS 27 6.456 -5.331 0.518
224 HA LYS 27 HA LYS 27 7.866 -2.872 0.403
225 1HB LYS 27 1HB LYS 27 7.370 -4.677 2.777
226 2HB LYS 27 2HB LYS 27 7.888 -3.000 2.854
227 1HG LYS 27 1HG LYS 27 5.776 -2.342 1.737
228 2HG LYS 27 2HG LYS 27 5.257 -4.026 1.813
229 1HD LYS 27 1HD LYS 27 5.915 -2.263 4.171
230 2HD LYS 27 2HD LYS 27 4.298 -2.731 3.643
231 1HE LYS 27 1HE LYS 27 4.908 -5.100 4.033
232 2HE LYS 27 2HE LYS 27 6.461 -4.559 4.669
233 1HZ LYS 27 1HZ LYS 27 4.216 -3.258 5.898
234 2HZ LYS 27 2HZ LYS 27 4.214 -4.935 6.129
235 3HZ LYS 27 3HZ LYS 27 5.550 -4.017 6.611
236 H ALA 28 H ALA 28 8.824 -6.197 0.988
237 HA ALA 28 HA ALA 28 11.366 -5.822 2.036
238 1HB ALA 28 1HB ALA 28 10.456 -8.004 0.165
239 2HB ALA 28 2HB ALA 28 11.878 -8.058 1.208
240 3HB ALA 28 3HB ALA 28 10.265 -7.995 1.918
241 H LYS 29 H LYS 29 10.310 -5.800 -1.341
242 HA LYS 29 HA LYS 29 12.852 -5.698 -2.549
243 1HB LYS 29 1HB LYS 29 10.388 -4.315 -3.611
244 2HB LYS 29 2HB LYS 29 11.714 -5.013 -4.527
245 1HG LYS 29 1HG LYS 29 9.838 -6.644 -2.847
246 2HG LYS 29 2HG LYS 29 9.566 -6.303 -4.557
247 1HD LYS 29 1HD LYS 29 11.983 -7.701 -3.419
248 2HD LYS 29 2HD LYS 29 10.620 -8.490 -4.216
249 1HE LYS 29 1HE LYS 29 11.106 -7.288 -6.276
250 2HE LYS 29 2HE LYS 29 12.444 -6.453 -5.489
251 1HZ LYS 29 1HZ LYS 29 12.320 -9.403 -5.709
252 2HZ LYS 29 2HZ LYS 29 13.043 -8.433 -6.891
253 3HZ LYS 29 3HZ LYS 29 13.656 -8.442 -5.314
254 H ILE 30 H ILE 30 10.623 -3.220 -1.437
255 HA ILE 30 HA ILE 30 11.987 -0.959 -2.299
256 HB ILE 30 HB ILE 30 10.278 -1.298 0.165
257 1HG1 ILE 30 1HG1 ILE 30 9.600 -0.396 -2.644
258 2HG1 ILE 30 2HG1 ILE 30 9.139 -1.928 -1.914
259 1HG2 ILE 30 1HG2 ILE 30 11.122 1.198 -1.312
260 2HG2 ILE 30 2HG2 ILE 30 9.929 1.141 -0.013
261 3HG2 ILE 30 3HG2 ILE 30 11.611 0.725 0.315
262 1HD1 ILE 30 1HD1 ILE 30 8.298 0.405 -0.381
263 2HD1 ILE 30 2HD1 ILE 30 7.598 0.308 -1.997
264 3HD1 ILE 30 3HD1 ILE 30 7.393 -1.029 -0.866
265 H GLN 31 H GLN 31 12.465 -2.968 0.565
266 HA GLN 31 HA GLN 31 14.207 -1.284 1.980
267 1HB GLN 31 1HB GLN 31 14.229 -4.311 1.841
268 2HB GLN 31 2HB GLN 31 15.029 -3.337 3.066
269 1HG GLN 31 1HG GLN 31 12.842 -2.492 3.795
270 2HG GLN 31 2HG GLN 31 12.063 -3.529 2.600
271 1HE2 GLN 31 2HE2 GLN 31 11.321 -5.359 3.368
272 2HE2 GLN 31 1HE2 GLN 31 11.942 -6.228 4.724
273 H ASP 32 H ASP 32 14.736 -3.707 -0.525
274 HA ASP 32 HA ASP 32 17.554 -3.435 -0.627
275 1HB ASP 32 1HB ASP 32 16.383 -5.407 -1.540
276 2HB ASP 32 2HB ASP 32 15.632 -4.390 -2.764
277 H LYS 33 H LYS 33 14.844 -1.923 -2.206
278 HA LYS 33 HA LYS 33 16.394 -0.342 -4.016
279 1HB LYS 33 1HB LYS 33 13.490 -0.302 -3.201
280 2HB LYS 33 2HB LYS 33 14.168 0.816 -4.381
281 1HG LYS 33 1HG LYS 33 14.826 -1.090 -5.782
282 2HG LYS 33 2HG LYS 33 14.104 -2.186 -4.605
283 1HD LYS 33 1HD LYS 33 12.568 -1.823 -6.440
284 2HD LYS 33 2HD LYS 33 11.922 -1.103 -4.966
285 1HE LYS 33 1HE LYS 33 11.602 0.380 -6.871
286 2HE LYS 33 2HE LYS 33 12.700 1.096 -5.691
287 1HZ LYS 33 1HZ LYS 33 14.049 -0.449 -7.699
288 2HZ LYS 33 2HZ LYS 33 13.183 0.852 -8.345
289 3HZ LYS 33 3HZ LYS 33 14.357 1.124 -7.158
290 H GLU 34 H GLU 34 16.231 -0.230 -0.817
291 HA GLU 34 HA GLU 34 17.220 2.417 -0.619
292 1HB GLU 34 1HB GLU 34 14.808 2.936 -0.827
293 2HB GLU 34 2HB GLU 34 14.483 1.934 0.579
294 1HG GLU 34 1HG GLU 34 14.497 4.278 1.175
295 2HG GLU 34 2HG GLU 34 15.824 3.428 1.963
296 H GLY 35 H GLY 35 15.288 1.411 2.052
297 1HA GLY 35 1HA GLY 35 17.641 0.942 3.642
298 2HA GLY 35 2HA GLY 35 16.715 -0.518 3.332
299 H ILE 36 H ILE 36 14.147 0.293 3.497
300 HA ILE 36 HA ILE 36 13.945 1.333 6.243
301 HB ILE 36 HB ILE 36 11.446 1.634 4.937
302 1HG1 ILE 36 1HG1 ILE 36 12.155 3.364 3.224
303 2HG1 ILE 36 2HG1 ILE 36 13.788 2.726 3.369
304 1HG2 ILE 36 1HG2 ILE 36 13.458 3.305 6.296
305 2HG2 ILE 36 2HG2 ILE 36 12.294 4.150 5.275
306 3HG2 ILE 36 3HG2 ILE 36 11.728 3.127 6.597
307 1HD1 ILE 36 1HD1 ILE 36 12.231 0.487 2.913
308 2HD1 ILE 36 2HD1 ILE 36 11.540 1.726 1.865
309 3HD1 ILE 36 3HD1 ILE 36 13.254 1.322 1.740
310 HA PRO 37 HA PRO 37 12.345 -2.674 7.348
311 1HB PRO 37 1HB PRO 37 10.862 -0.971 9.306
312 2HB PRO 37 2HB PRO 37 11.778 -2.455 9.579
313 1HG PRO 37 1HG PRO 37 12.817 -0.103 10.234
314 2HG PRO 37 2HG PRO 37 13.828 -1.359 9.496
315 1HD PRO 37 1HD PRO 37 12.705 1.125 8.287
316 2HD PRO 37 2HD PRO 37 14.247 0.310 7.966
317 HA PRO 38 HA PRO 38 8.510 -2.879 5.135
318 1HB PRO 38 1HB PRO 38 7.851 -5.093 6.999
319 2HB PRO 38 2HB PRO 38 7.897 -5.084 5.236
320 1HG PRO 38 1HG PRO 38 9.813 -6.278 6.661
321 2HG PRO 38 2HG PRO 38 10.183 -5.413 5.158
322 1HD PRO 38 1HD PRO 38 10.625 -4.576 7.989
323 2HD PRO 38 2HD PRO 38 11.627 -4.282 6.555
324 H ASP 39 H ASP 39 8.445 -3.124 8.668
325 HA ASP 39 HA ASP 39 5.718 -2.568 9.023
326 1HB ASP 39 1HB ASP 39 8.036 -2.029 10.890
327 2HB ASP 39 2HB ASP 39 6.339 -2.023 11.350
328 H GLN 40 H GLN 40 8.537 -0.450 8.779
329 HA GLN 40 HA GLN 40 7.247 1.921 9.539
330 1HB GLN 40 1HB GLN 40 9.641 1.508 7.750
331 2HB GLN 40 2HB GLN 40 9.130 3.065 8.384
332 1HG GLN 40 1HG GLN 40 9.449 2.216 10.669
333 2HG GLN 40 2HG GLN 40 10.022 0.689 10.002
334 1HE2 GLN 40 2HE2 GLN 40 11.032 3.019 7.928
335 2HE2 GLN 40 1HE2 GLN 40 12.606 3.317 8.572
336 H GLN 41 H GLN 41 7.604 0.361 6.387
337 HA GLN 41 HA GLN 41 6.640 2.457 4.803
338 1HB GLN 41 1HB GLN 41 6.427 -0.529 4.389
339 2HB GLN 41 2HB GLN 41 6.108 0.680 3.151
340 1HG GLN 41 1HG GLN 41 8.384 1.418 3.195
341 2HG GLN 41 2HG GLN 41 8.738 0.387 4.580
342 1HE2 GLN 41 2HE2 GLN 41 9.932 -1.264 4.021
343 2HE2 GLN 41 1HE2 GLN 41 9.792 -2.183 2.566
344 H ARG 42 H ARG 42 4.783 3.480 5.094
345 HA ARG 42 HA ARG 42 2.503 2.192 6.264
346 1HB ARG 42 1HB ARG 42 3.058 4.503 6.843
347 2HB ARG 42 2HB ARG 42 2.840 4.983 5.166
348 1HG ARG 42 1HG ARG 42 0.476 4.382 5.299
349 2HG ARG 42 2HG ARG 42 0.695 3.903 6.982
350 1HD ARG 42 1HD ARG 42 -0.257 6.141 6.832
351 2HD ARG 42 2HD ARG 42 1.352 6.185 7.552
352 HE ARG 42 HE ARG 42 1.605 6.610 4.799
353 1HH1 ARG 42 1HH1 ARG 42 0.306 8.192 7.620
354 2HH1 ARG 42 2HH1 ARG 42 0.543 9.788 6.991
355 1HH2 ARG 42 1HH2 ARG 42 1.921 8.709 3.965
356 2HH2 ARG 42 2HH2 ARG 42 1.461 10.082 4.915
357 H LEU 43 H LEU 43 0.769 1.372 5.244
358 HA LEU 43 HA LEU 43 0.805 1.230 2.366
359 1HB LEU 43 1HB LEU 43 -1.290 0.211 4.283
360 2HB LEU 43 2HB LEU 43 -1.139 -0.214 2.590
361 HG LEU 43 HG LEU 43 0.700 -0.981 4.846
362 1HD1 LEU 43 1HD1 LEU 43 2.028 -0.334 2.881
363 2HD1 LEU 43 2HD1 LEU 43 2.113 -2.068 3.198
364 3HD1 LEU 43 3HD1 LEU 43 1.093 -1.459 1.895
365 1HD2 LEU 43 1HD2 LEU 43 -1.521 -2.218 3.564
366 2HD2 LEU 43 2HD2 LEU 43 -0.062 -3.142 3.206
367 3HD2 LEU 43 3HD2 LEU 43 -0.517 -2.828 4.880
368 H ILE 44 H ILE 44 -0.453 2.287 0.951
369 HA ILE 44 HA ILE 44 -2.690 3.890 1.918
370 HB ILE 44 HB ILE 44 -0.428 5.050 0.292
371 1HG1 ILE 44 1HG1 ILE 44 -1.420 5.764 3.059
372 2HG1 ILE 44 2HG1 ILE 44 0.019 4.804 2.727
373 1HG2 ILE 44 1HG2 ILE 44 -2.726 5.809 -0.359
374 2HG2 ILE 44 2HG2 ILE 44 -2.909 6.445 1.276
375 3HG2 ILE 44 3HG2 ILE 44 -1.659 7.092 0.214
376 1HD1 ILE 44 1HD1 ILE 44 0.073 7.303 1.297
377 2HD1 ILE 44 2HD1 ILE 44 -0.119 7.545 3.033
378 3HD1 ILE 44 3HD1 ILE 44 1.246 6.612 2.418
379 H PHE 45 H PHE 45 -4.364 3.906 0.532
380 HA PHE 45 HA PHE 45 -3.896 2.926 -2.205
381 1HB PHE 45 1HB PHE 45 -6.264 2.227 -0.456
382 2HB PHE 45 2HB PHE 45 -5.945 1.624 -2.079
383 HD1 PHE 45 HD1 PHE 45 -4.947 -0.435 -2.313
384 HD2 PHE 45 HD2 PHE 45 -4.366 1.738 1.299
385 HE1 PHE 45 HE1 PHE 45 -3.735 -2.350 -1.356
386 HE2 PHE 45 HE2 PHE 45 -3.148 -0.171 2.258
387 HZ PHE 45 HZ PHE 45 -2.831 -2.219 0.929
388 H ALA 46 H ALA 46 -5.055 3.916 -3.851
389 HA ALA 46 HA ALA 46 -7.198 5.762 -3.146
390 1HB ALA 46 1HB ALA 46 -5.273 7.174 -2.835
391 2HB ALA 46 2HB ALA 46 -4.649 6.735 -4.426
392 3HB ALA 46 3HB ALA 46 -6.135 7.675 -4.290
393 H GLY 47 H GLY 47 -8.750 5.662 -4.611
394 1HA GLY 47 1HA GLY 47 -9.880 5.210 -6.553
395 2HA GLY 47 2HA GLY 47 -8.599 4.065 -6.914
396 H LYS 48 H LYS 48 -8.321 4.473 -9.048
397 HA LYS 48 HA LYS 48 -6.781 6.744 -9.802
398 1HB LYS 48 1HB LYS 48 -8.123 4.643 -11.506
399 2HB LYS 48 2HB LYS 48 -6.947 5.812 -12.085
400 1HG LYS 48 1HG LYS 48 -6.431 3.692 -10.010
401 2HG LYS 48 2HG LYS 48 -5.944 3.620 -11.702
402 1HD LYS 48 1HD LYS 48 -5.041 5.698 -9.710
403 2HD LYS 48 2HD LYS 48 -4.094 4.307 -10.239
404 1HE LYS 48 1HE LYS 48 -4.144 5.146 -12.536
405 2HE LYS 48 2HE LYS 48 -5.093 6.534 -12.010
406 1HZ LYS 48 1HZ LYS 48 -2.844 6.436 -10.389
407 2HZ LYS 48 2HZ LYS 48 -2.296 6.197 -11.972
408 3HZ LYS 48 3HZ LYS 48 -3.203 7.573 -11.588
409 H GLN 49 H GLN 49 -8.310 8.372 -9.036
410 HA GLN 49 HA GLN 49 -10.729 8.834 -10.465
411 1HB GLN 49 1HB GLN 49 -9.015 10.706 -8.815
412 2HB GLN 49 2HB GLN 49 -10.615 11.098 -9.427
413 1HG GLN 49 1HG GLN 49 -10.014 8.834 -7.540
414 2HG GLN 49 2HG GLN 49 -10.584 10.425 -7.049
415 1HE2 GLN 49 2HE2 GLN 49 -12.059 9.983 -9.890
416 2HE2 GLN 49 1HE2 GLN 49 -13.520 9.226 -9.372
417 H LEU 50 H LEU 50 -10.544 9.013 -12.602
418 HA LEU 50 HA LEU 50 -8.461 9.793 -14.153
419 1HB LEU 50 1HB LEU 50 -11.407 10.192 -14.617
420 2HB LEU 50 2HB LEU 50 -10.205 10.548 -15.842
421 HG LEU 50 HG LEU 50 -11.210 8.365 -16.225
422 1HD1 LEU 50 1HD1 LEU 50 -11.708 7.949 -13.786
423 2HD1 LEU 50 2HD1 LEU 50 -11.107 6.567 -14.703
424 3HD1 LEU 50 3HD1 LEU 50 -10.025 7.445 -13.620
425 1HD2 LEU 50 1HD2 LEU 50 -8.754 8.843 -16.677
426 2HD2 LEU 50 2HD2 LEU 50 -8.417 7.886 -15.235
427 3HD2 LEU 50 3HD2 LEU 50 -9.242 7.150 -16.609
428 H GLU 51 H GLU 51 -7.396 11.472 -12.969
429 HA GLU 51 HA GLU 51 -6.756 13.626 -12.606
430 1HB GLU 51 1HB GLU 51 -8.533 14.155 -14.995
431 2HB GLU 51 2HB GLU 51 -7.358 15.284 -14.336
432 1HG GLU 51 1HG GLU 51 -5.558 13.718 -14.857
433 2HG GLU 51 2HG GLU 51 -6.738 12.589 -15.522
434 H1 GLY -1 H1 GLY -1 -4.017 -6.311 15.097
435 H2 GLY -1 H2 GLY -1 -3.768 -6.182 16.766
436 H3 GLY -1 H3 GLY -1 -5.151 -5.507 16.062
437 1HA GLY -1 1HA GLY -1 -3.149 -3.997 16.682
438 2HA GLY -1 2HA GLY -1 -4.052 -3.721 15.199
439 H SER 0 H SER 0 -3.108 -5.703 13.558
440 HA SER 0 HA SER 0 -0.329 -6.055 13.538
441 1HB SER 0 1HB SER 0 -1.831 -7.434 12.183
442 2HB SER 0 2HB SER 0 -2.257 -6.029 11.204
443 HG SER 0 HG SER 0 0.041 -5.915 10.690
444 H MET 1 H MET 1 -2.280 -3.817 11.556
445 HA MET 1 HA MET 1 -0.652 -1.585 11.931
446 1HB MET 1 1HB MET 1 0.465 -1.494 9.685
447 2HB MET 1 2HB MET 1 1.115 -2.705 10.781
448 1HG MET 1 1HG MET 1 -0.083 -4.452 9.623
449 2HG MET 1 2HG MET 1 -0.855 -3.265 8.575
450 1HE MET 1 1HE MET 1 0.430 -1.516 7.489
451 2HE MET 1 2HE MET 1 2.190 -1.454 7.380
452 3HE MET 1 3HE MET 1 1.250 -2.191 6.081
453 H GLN 2 H GLN 2 -2.319 -0.217 11.806
454 HA GLN 2 HA GLN 2 -4.490 -0.485 10.008
455 1HB GLN 2 1HB GLN 2 -5.128 1.764 10.794
456 2HB GLN 2 2HB GLN 2 -4.742 0.686 12.125
457 1HG GLN 2 1HG GLN 2 -2.483 1.710 12.222
458 2HG GLN 2 2HG GLN 2 -3.001 2.863 10.996
459 1HE2 GLN 2 2HE2 GLN 2 -5.619 2.130 12.888
460 2HE2 GLN 2 1HE2 GLN 2 -5.529 3.445 14.003
461 H ILE 3 H ILE 3 -4.685 0.142 7.955
462 HA ILE 3 HA ILE 3 -2.470 1.599 6.730
463 HB ILE 3 HB ILE 3 -3.347 0.833 4.594
464 1HG1 ILE 3 1HG1 ILE 3 -5.548 -0.431 6.243
465 2HG1 ILE 3 2HG1 ILE 3 -5.738 0.894 5.099
466 1HG2 ILE 3 1HG2 ILE 3 -1.829 -0.626 5.814
467 2HG2 ILE 3 2HG2 ILE 3 -3.194 -1.376 6.640
468 3HG2 ILE 3 3HG2 ILE 3 -3.002 -1.572 4.898
469 1HD1 ILE 3 1HD1 ILE 3 -4.525 -1.556 4.019
470 2HD1 ILE 3 2HD1 ILE 3 -6.218 -1.676 4.511
471 3HD1 ILE 3 3HD1 ILE 3 -5.728 -0.470 3.319
472 H PHE 4 H PHE 4 -2.655 3.549 5.776
473 HA PHE 4 HA PHE 4 -5.131 5.021 6.203
474 1HB PHE 4 1HB PHE 4 -2.401 5.921 5.254
475 2HB PHE 4 2HB PHE 4 -3.777 6.993 5.471
476 HD1 PHE 4 HD1 PHE 4 -3.507 8.335 7.294
477 HD2 PHE 4 HD2 PHE 4 -2.265 4.272 7.544
478 HE1 PHE 4 HE1 PHE 4 -2.879 8.676 9.647
479 HE2 PHE 4 HE2 PHE 4 -1.637 4.606 9.898
480 HZ PHE 4 HZ PHE 4 -1.944 6.810 10.954
481 H VAL 5 H VAL 5 -6.570 5.405 4.629
482 HA VAL 5 HA VAL 5 -5.715 5.522 1.860
483 HB VAL 5 HB VAL 5 -6.108 3.240 1.793
484 1HG1 VAL 5 1HG1 VAL 5 -7.661 3.718 4.107
485 2HG1 VAL 5 2HG1 VAL 5 -8.664 2.828 2.961
486 3HG1 VAL 5 3HG1 VAL 5 -7.102 2.177 3.456
487 1HG2 VAL 5 1HG2 VAL 5 -7.763 4.830 0.374
488 2HG2 VAL 5 2HG2 VAL 5 -7.698 3.076 0.205
489 3HG2 VAL 5 3HG2 VAL 5 -8.936 3.818 1.218
490 H LYS 6 H LYS 6 -6.846 6.952 0.716
491 HA LYS 6 HA LYS 6 -8.973 8.403 2.039
492 1HB LYS 6 1HB LYS 6 -7.200 9.612 0.847
493 2HB LYS 6 2HB LYS 6 -7.666 8.826 -0.655
494 1HG LYS 6 1HG LYS 6 -9.847 9.926 -0.553
495 2HG LYS 6 2HG LYS 6 -9.374 10.717 0.950
496 1HD LYS 6 1HD LYS 6 -7.998 11.049 -1.716
497 2HD LYS 6 2HD LYS 6 -9.118 12.203 -0.990
498 1HE LYS 6 1HE LYS 6 -6.471 11.335 0.166
499 2HE LYS 6 2HE LYS 6 -6.796 12.871 -0.634
500 1HZ LYS 6 1HZ LYS 6 -8.678 12.902 1.232
501 2HZ LYS 6 2HZ LYS 6 -7.507 11.988 2.041
502 3HZ LYS 6 3HZ LYS 6 -7.129 13.537 1.477
503 H THR 7 H THR 7 -11.096 8.206 1.653
504 HA THR 7 HA THR 7 -12.025 6.148 -0.121
505 HB THR 7 HB THR 7 -14.287 6.789 0.646
506 HG1 THR 7 HG1 THR 7 -12.871 8.989 1.589
507 1HG2 THR 7 1HG2 THR 7 -12.639 5.309 1.974
508 2HG2 THR 7 2HG2 THR 7 -12.521 6.688 3.068
509 3HG2 THR 7 3HG2 THR 7 -14.080 5.909 2.796
510 H LEU 8 H LEU 8 -14.498 7.380 -0.884
511 HA LEU 8 HA LEU 8 -13.619 8.667 -3.308
512 1HB LEU 8 1HB LEU 8 -16.362 7.953 -2.277
513 2HB LEU 8 2HB LEU 8 -16.056 8.652 -3.855
514 HG LEU 8 HG LEU 8 -14.817 6.048 -2.989
515 1HD1 LEU 8 1HD1 LEU 8 -14.075 7.560 -5.012
516 2HD1 LEU 8 2HD1 LEU 8 -14.149 5.804 -5.154
517 3HD1 LEU 8 3HD1 LEU 8 -15.460 6.795 -5.788
518 1HD2 LEU 8 1HD2 LEU 8 -17.414 6.469 -4.451
519 2HD2 LEU 8 2HD2 LEU 8 -16.587 4.925 -4.248
520 3HD2 LEU 8 3HD2 LEU 8 -17.216 5.778 -2.840
521 H THR 9 H THR 9 -15.751 9.554 -0.593
522 HA THR 9 HA THR 9 -16.128 12.227 -1.495
523 HB THR 9 HB THR 9 -17.797 11.231 -0.070
524 HG1 THR 9 HG1 THR 9 -17.444 12.914 1.802
525 1HG2 THR 9 1HG2 THR 9 -16.276 9.752 1.209
526 2HG2 THR 9 2HG2 THR 9 -15.707 11.158 2.108
527 3HG2 THR 9 3HG2 THR 9 -17.390 10.647 2.243
528 H GLY 10 H GLY 10 -14.049 10.776 1.007
529 1HA GLY 10 1HA GLY 10 -12.868 13.356 1.612
530 2HA GLY 10 2HA GLY 10 -11.822 12.252 0.737
531 H LYS 11 H LYS 11 -14.190 11.331 3.173
532 HA LYS 11 HA LYS 11 -12.692 11.313 5.466
533 1HB LYS 11 1HB LYS 11 -15.070 10.741 5.404
534 2HB LYS 11 2HB LYS 11 -14.699 9.229 4.592
535 1HG LYS 11 1HG LYS 11 -13.412 8.521 6.578
536 2HG LYS 11 2HG LYS 11 -13.906 10.006 7.389
537 1HD LYS 11 1HD LYS 11 -16.259 9.348 7.139
538 2HD LYS 11 2HD LYS 11 -15.747 7.849 6.359
539 1HE LYS 11 1HE LYS 11 -14.547 7.205 8.394
540 2HE LYS 11 2HE LYS 11 -15.072 8.696 9.173
541 1HZ LYS 11 1HZ LYS 11 -17.036 6.790 8.071
542 2HZ LYS 11 2HZ LYS 11 -16.391 6.572 9.619
543 3HZ LYS 11 3HZ LYS 11 -17.262 7.976 9.255
544 H THR 12 H THR 12 -11.010 10.222 6.246
545 HA THR 12 HA THR 12 -9.665 8.300 4.560
546 HB THR 12 HB THR 12 -8.910 9.296 7.312
547 HG1 THR 12 HG1 THR 12 -7.302 10.407 5.732
548 1HG2 THR 12 1HG2 THR 12 -7.860 7.186 5.740
549 2HG2 THR 12 2HG2 THR 12 -6.691 8.507 5.704
550 3HG2 THR 12 3HG2 THR 12 -7.224 7.843 7.248
551 H ILE 13 H ILE 13 -9.571 6.138 4.831
552 HA ILE 13 HA ILE 13 -11.160 4.994 7.013
553 HB ILE 13 HB ILE 13 -10.426 2.892 5.368
554 1HG1 ILE 13 1HG1 ILE 13 -11.192 5.275 3.672
555 2HG1 ILE 13 2HG1 ILE 13 -9.625 4.470 3.671
556 1HG2 ILE 13 1HG2 ILE 13 -12.886 4.486 5.822
557 2HG2 ILE 13 2HG2 ILE 13 -12.879 3.278 4.532
558 3HG2 ILE 13 3HG2 ILE 13 -12.536 2.794 6.196
559 1HD1 ILE 13 1HD1 ILE 13 -11.449 2.439 3.199
560 2HD1 ILE 13 2HD1 ILE 13 -12.034 3.803 2.247
561 3HD1 ILE 13 3HD1 ILE 13 -10.388 3.212 2.023
562 H THR 14 H THR 14 -10.296 3.820 8.576
563 HA THR 14 HA THR 14 -7.417 3.229 8.438
564 HB THR 14 HB THR 14 -8.977 3.051 10.991
565 HG1 THR 14 HG1 THR 14 -9.469 5.109 10.753
566 1HG2 THR 14 1HG2 THR 14 -6.149 3.745 10.218
567 2HG2 THR 14 2HG2 THR 14 -6.775 3.933 11.856
568 3HG2 THR 14 3HG2 THR 14 -6.710 2.334 11.116
569 H LEU 15 H LEU 15 -6.746 1.113 8.518
570 HA LEU 15 HA LEU 15 -8.465 -0.962 9.514
571 1HB LEU 15 1HB LEU 15 -9.615 -1.201 7.610
572 2HB LEU 15 2HB LEU 15 -8.494 -0.208 6.706
573 HG LEU 15 HG LEU 15 -7.013 -2.217 6.473
574 1HD1 LEU 15 1HD1 LEU 15 -9.673 -1.823 5.277
575 2HD1 LEU 15 2HD1 LEU 15 -8.088 -1.935 4.514
576 3HD1 LEU 15 3HD1 LEU 15 -8.936 -3.402 5.005
577 1HD2 LEU 15 1HD2 LEU 15 -8.780 -3.298 8.374
578 2HD2 LEU 15 2HD2 LEU 15 -9.049 -4.183 6.872
579 3HD2 LEU 15 3HD2 LEU 15 -7.431 -4.096 7.567
580 H GLU 16 H GLU 16 -7.101 -2.212 10.561
581 HA GLU 16 HA GLU 16 -4.321 -2.404 9.874
582 1HB GLU 16 1HB GLU 16 -4.169 -3.857 11.845
583 2HB GLU 16 2HB GLU 16 -5.033 -2.371 12.210
584 1HG GLU 16 1HG GLU 16 -7.159 -3.559 12.026
585 2HG GLU 16 2HG GLU 16 -6.293 -5.049 11.662
586 H VAL 17 H VAL 17 -3.228 -4.115 8.999
587 HA VAL 17 HA VAL 17 -4.577 -6.625 8.462
588 HB VAL 17 HB VAL 17 -3.949 -6.540 6.020
589 1HG1 VAL 17 1HG1 VAL 17 -2.961 -3.975 6.832
590 2HG1 VAL 17 2HG1 VAL 17 -2.762 -4.817 5.295
591 3HG1 VAL 17 3HG1 VAL 17 -4.171 -3.791 5.563
592 1HG2 VAL 17 1HG2 VAL 17 -6.265 -6.198 6.984
593 2HG2 VAL 17 2HG2 VAL 17 -6.003 -4.473 6.728
594 3HG2 VAL 17 3HG2 VAL 17 -5.986 -5.581 5.356
595 H GLU 18 H GLU 18 -3.190 -8.303 8.389
596 HA GLU 18 HA GLU 18 -0.548 -8.003 9.252
597 1HB GLU 18 1HB GLU 18 -1.768 -10.363 7.807
598 2HB GLU 18 2HB GLU 18 -0.305 -10.391 8.783
599 1HG GLU 18 1HG GLU 18 -1.615 -9.800 10.761
600 2HG GLU 18 2HG GLU 18 -3.080 -9.790 9.779
601 HA PRO 19 HA PRO 19 1.743 -6.859 5.639
602 1HB PRO 19 1HB PRO 19 4.054 -8.283 6.218
603 2HB PRO 19 2HB PRO 19 3.679 -6.671 6.820
604 1HG PRO 19 1HG PRO 19 3.358 -9.314 8.161
605 2HG PRO 19 2HG PRO 19 3.891 -7.769 8.843
606 1HD PRO 19 1HD PRO 19 1.412 -8.686 9.260
607 2HD PRO 19 2HD PRO 19 1.719 -6.955 9.013
608 H SER 20 H SER 20 1.843 -10.230 6.687
609 HA SER 20 HA SER 20 2.679 -11.338 4.245
610 1HB SER 20 1HB SER 20 2.829 -12.541 6.367
611 2HB SER 20 2HB SER 20 1.072 -12.585 6.480
612 HG SER 20 HG SER 20 0.981 -14.050 4.897
613 H ASP 21 H ASP 21 -0.460 -10.363 5.425
614 HA ASP 21 HA ASP 21 -2.122 -11.812 3.724
615 1HB ASP 21 1HB ASP 21 -2.937 -10.419 5.598
616 2HB ASP 21 2HB ASP 21 -2.525 -8.970 4.684
617 H THR 22 H THR 22 -2.727 -11.634 1.637
618 HA THR 22 HA THR 22 -1.056 -10.277 -0.181
619 HB THR 22 HB THR 22 -2.659 -10.987 -1.918
620 HG1 THR 22 HG1 THR 22 -4.186 -11.929 0.300
621 1HG2 THR 22 1HG2 THR 22 -0.969 -12.538 -0.577
622 2HG2 THR 22 2HG2 THR 22 -2.469 -13.350 -0.127
623 3HG2 THR 22 3HG2 THR 22 -2.033 -13.181 -1.827
624 H ILE 23 H ILE 23 -1.398 -8.515 -1.495
625 HA ILE 23 HA ILE 23 -2.647 -6.282 -0.410
626 HB ILE 23 HB ILE 23 -1.991 -6.767 -3.319
627 1HG1 ILE 23 1HG1 ILE 23 -0.349 -5.475 -1.126
628 2HG1 ILE 23 2HG1 ILE 23 -0.059 -7.073 -1.808
629 1HG2 ILE 23 1HG2 ILE 23 -3.526 -4.878 -2.942
630 2HG2 ILE 23 2HG2 ILE 23 -2.353 -4.167 -1.835
631 3HG2 ILE 23 3HG2 ILE 23 -1.953 -4.356 -3.542
632 1HD1 ILE 23 1HD1 ILE 23 -0.145 -4.823 -3.717
633 2HD1 ILE 23 2HD1 ILE 23 1.231 -4.888 -2.614
634 3HD1 ILE 23 3HD1 ILE 23 0.891 -6.251 -3.680
635 H GLU 24 H GLU 24 -3.841 -8.603 -2.788
636 HA GLU 24 HA GLU 24 -6.132 -7.262 -3.617
637 1HB GLU 24 1HB GLU 24 -7.020 -9.501 -4.192
638 2HB GLU 24 2HB GLU 24 -5.372 -9.258 -4.746
639 1HG GLU 24 1HG GLU 24 -4.534 -10.551 -2.860
640 2HG GLU 24 2HG GLU 24 -6.184 -10.778 -2.279
641 H ASN 25 H ASN 25 -5.619 -9.310 -0.780
642 HA ASN 25 HA ASN 25 -8.332 -9.371 0.026
643 1HB ASN 25 1HB ASN 25 -5.755 -9.915 1.480
644 2HB ASN 25 2HB ASN 25 -7.318 -10.026 2.280
645 1HD2 ASN 25 2HD2 ASN 25 -7.916 -12.052 2.460
646 2HD2 ASN 25 1HD2 ASN 25 -7.735 -13.282 1.260
647 H VAL 26 H VAL 26 -5.594 -7.347 1.158
648 HA VAL 26 HA VAL 26 -7.025 -5.946 3.101
649 HB VAL 26 HB VAL 26 -5.349 -4.232 3.035
650 1HG1 VAL 26 1HG1 VAL 26 -4.834 -6.791 3.615
651 2HG1 VAL 26 2HG1 VAL 26 -3.625 -6.526 2.358
652 3HG1 VAL 26 3HG1 VAL 26 -3.646 -5.499 3.794
653 1HG2 VAL 26 1HG2 VAL 26 -5.298 -3.930 0.589
654 2HG2 VAL 26 2HG2 VAL 26 -3.694 -4.009 1.316
655 3HG2 VAL 26 3HG2 VAL 26 -4.343 -5.405 0.455
656 H LYS 27 H LYS 27 -6.684 -5.294 -0.362
657 HA LYS 27 HA LYS 27 -8.108 -2.832 -0.312
658 1HB LYS 27 1HB LYS 27 -7.668 -4.728 -2.627
659 2HB LYS 27 2HB LYS 27 -8.199 -3.058 -2.754
660 1HG LYS 27 1HG LYS 27 -6.043 -2.374 -1.695
661 2HG LYS 27 2HG LYS 27 -5.521 -4.055 -1.818
662 1HD LYS 27 1HD LYS 27 -6.315 -2.270 -4.117
663 2HD LYS 27 2HD LYS 27 -4.668 -2.732 -3.682
664 1HE LYS 27 1HE LYS 27 -5.261 -5.094 -4.079
665 2HE LYS 27 2HE LYS 27 -6.869 -4.580 -4.591
666 1HZ LYS 27 1HZ LYS 27 -4.739 -3.221 -5.961
667 2HZ LYS 27 2HZ LYS 27 -4.738 -4.892 -6.223
668 3HZ LYS 27 3HZ LYS 27 -6.115 -3.980 -6.586
669 H ALA 28 H ALA 28 -9.018 -6.186 -0.860
670 HA ALA 28 HA ALA 28 -11.595 -5.874 -1.816
671 1HB ALA 28 1HB ALA 28 -12.033 -8.116 -0.920
672 2HB ALA 28 2HB ALA 28 -10.476 -8.022 -1.742
673 3HB ALA 28 3HB ALA 28 -10.544 -8.021 0.020
674 H LYS 29 H LYS 29 -10.470 -5.859 1.547
675 HA LYS 29 HA LYS 29 -13.062 -5.732 2.697
676 1HB LYS 29 1HB LYS 29 -10.493 -4.727 3.929
677 2HB LYS 29 2HB LYS 29 -11.939 -5.271 4.767
678 1HG LYS 29 1HG LYS 29 -11.547 -7.538 3.781
679 2HG LYS 29 2HG LYS 29 -10.000 -6.936 3.187
680 1HD LYS 29 1HD LYS 29 -9.682 -8.126 5.270
681 2HD LYS 29 2HD LYS 29 -9.344 -6.410 5.501
682 1HE LYS 29 1HE LYS 29 -10.631 -7.257 7.368
683 2HE LYS 29 2HE LYS 29 -11.599 -6.115 6.439
684 1HZ LYS 29 1HZ LYS 29 -11.780 -9.013 5.918
685 2HZ LYS 29 2HZ LYS 29 -12.665 -8.308 7.175
686 3HZ LYS 29 3HZ LYS 29 -12.912 -7.801 5.581
687 H ILE 30 H ILE 30 -10.722 -3.326 1.644
688 HA ILE 30 HA ILE 30 -11.941 -1.058 2.730
689 HB ILE 30 HB ILE 30 -10.406 -1.311 0.139
690 1HG1 ILE 30 1HG1 ILE 30 -9.541 -0.498 2.924
691 2HG1 ILE 30 2HG1 ILE 30 -9.125 -2.001 2.111
692 1HG2 ILE 30 1HG2 ILE 30 -11.247 1.117 1.724
693 2HG2 ILE 30 2HG2 ILE 30 -10.012 1.146 0.462
694 3HG2 ILE 30 3HG2 ILE 30 -11.674 0.716 0.058
695 1HD1 ILE 30 1HD1 ILE 30 -8.393 0.353 0.575
696 2HD1 ILE 30 2HD1 ILE 30 -7.614 0.280 2.155
697 3HD1 ILE 30 3HD1 ILE 30 -7.436 -1.059 1.021
698 H GLN 31 H GLN 31 -12.653 -2.962 -0.132
699 HA GLN 31 HA GLN 31 -14.477 -1.217 -1.376
700 1HB GLN 31 1HB GLN 31 -14.497 -4.248 -1.339
701 2HB GLN 31 2HB GLN 31 -15.363 -3.230 -2.480
702 1HG GLN 31 1HG GLN 31 -13.231 -2.383 -3.333
703 2HG GLN 31 2HG GLN 31 -12.374 -3.433 -2.204
704 1HE2 GLN 31 2HE2 GLN 31 -11.671 -5.245 -3.049
705 2HE2 GLN 31 1HE2 GLN 31 -12.371 -6.100 -4.373
706 H ASP 32 H ASP 32 -14.764 -3.674 1.120
707 HA ASP 32 HA ASP 32 -17.568 -3.489 1.447
708 1HB ASP 32 1HB ASP 32 -16.239 -5.420 2.252
709 2HB ASP 32 2HB ASP 32 -15.471 -4.377 3.441
710 H LYS 33 H LYS 33 -14.784 -1.905 2.809
711 HA LYS 33 HA LYS 33 -16.237 -0.343 4.723
712 1HB LYS 33 1HB LYS 33 -13.392 -0.247 3.718
713 2HB LYS 33 2HB LYS 33 -14.014 0.836 4.959
714 1HG LYS 33 1HG LYS 33 -14.517 -1.096 6.379
715 2HG LYS 33 2HG LYS 33 -13.883 -2.169 5.132
716 1HD LYS 33 1HD LYS 33 -12.209 -1.807 6.846
717 2HD LYS 33 2HD LYS 33 -11.689 -1.073 5.329
718 1HE LYS 33 1HE LYS 33 -11.229 0.398 7.216
719 2HE LYS 33 2HE LYS 33 -12.416 1.115 6.127
720 1HZ LYS 33 1HZ LYS 33 -13.594 -0.450 8.229
721 2HZ LYS 33 2HZ LYS 33 -12.697 0.862 8.807
722 3HZ LYS 33 3HZ LYS 33 -13.963 1.118 7.714
723 H GLU 34 H GLU 34 -16.260 -0.253 1.512
724 HA GLU 34 HA GLU 34 -17.284 2.387 1.352
725 1HB GLU 34 1HB GLU 34 -14.858 2.907 1.403
726 2HB GLU 34 2HB GLU 34 -14.632 1.907 -0.025
727 1HG GLU 34 1HG GLU 34 -14.695 4.257 -0.610
728 2HG GLU 34 2HG GLU 34 -16.068 3.401 -1.309
729 H GLY 35 H GLY 35 -15.575 1.487 -1.476
730 1HA GLY 35 1HA GLY 35 -18.024 0.929 -2.860
731 2HA GLY 35 2HA GLY 35 -17.050 -0.513 -2.623
732 H ILE 36 H ILE 36 -14.518 0.313 -3.033
733 HA ILE 36 HA ILE 36 -14.584 1.281 -5.801
734 HB ILE 36 HB ILE 36 -12.064 1.929 -4.998
735 1HG1 ILE 36 1HG1 ILE 36 -12.325 3.233 -2.891
736 2HG1 ILE 36 2HG1 ILE 36 -13.932 2.549 -2.692
737 1HG2 ILE 36 1HG2 ILE 36 -14.556 3.333 -5.566
738 2HG2 ILE 36 2HG2 ILE 36 -13.421 4.269 -4.593
739 3HG2 ILE 36 3HG2 ILE 36 -12.921 3.628 -6.158
740 1HD1 ILE 36 1HD1 ILE 36 -12.079 0.421 -3.029
741 2HD1 ILE 36 2HD1 ILE 36 -11.475 1.524 -1.793
742 3HD1 ILE 36 3HD1 ILE 36 -13.082 0.814 -1.633
743 HA PRO 37 HA PRO 37 -12.981 -2.752 -6.903
744 1HB PRO 37 1HB PRO 37 -11.725 -0.877 -8.881
745 2HB PRO 37 2HB PRO 37 -12.414 -2.483 -9.157
746 1HG PRO 37 1HG PRO 37 -13.820 -0.302 -9.732
747 2HG PRO 37 2HG PRO 37 -14.604 -1.704 -8.981
748 1HD PRO 37 1HD PRO 37 -13.930 0.929 -7.811
749 2HD PRO 37 2HD PRO 37 -15.189 -0.225 -7.341
750 HA PRO 38 HA PRO 38 -8.995 -2.832 -4.945
751 1HB PRO 38 1HB PRO 38 -8.385 -5.053 -6.808
752 2HB PRO 38 2HB PRO 38 -8.363 -5.028 -5.045
753 1HG PRO 38 1HG PRO 38 -10.303 -6.280 -6.388
754 2HG PRO 38 2HG PRO 38 -10.634 -5.414 -4.876
755 1HD PRO 38 1HD PRO 38 -11.191 -4.593 -7.694
756 2HD PRO 38 2HD PRO 38 -12.164 -4.340 -6.231
757 H ASP 39 H ASP 39 -9.137 -3.141 -8.476
758 HA ASP 39 HA ASP 39 -6.455 -2.547 -9.018
759 1HB ASP 39 1HB ASP 39 -8.900 -2.034 -10.723
760 2HB ASP 39 2HB ASP 39 -7.237 -2.014 -11.299
761 H GLN 40 H GLN 40 -9.269 -0.458 -8.604
762 HA GLN 40 HA GLN 40 -8.124 1.939 -9.461
763 1HB GLN 40 1HB GLN 40 -10.258 1.434 -7.390
764 2HB GLN 40 2HB GLN 40 -9.853 3.024 -8.015
765 1HG GLN 40 1HG GLN 40 -10.586 2.438 -10.201
766 2HG GLN 40 2HG GLN 40 -10.770 0.745 -9.744
767 1HE2 GLN 40 2HE2 GLN 40 -11.736 2.309 -7.104
768 2HE2 GLN 40 1HE2 GLN 40 -13.425 2.466 -7.416
769 H GLN 41 H GLN 41 -8.219 0.470 -6.233
770 HA GLN 41 HA GLN 41 -7.081 2.529 -4.772
771 1HB GLN 41 1HB GLN 41 -6.760 -0.454 -4.401
772 2HB GLN 41 2HB GLN 41 -6.360 0.758 -3.190
773 1HG GLN 41 1HG GLN 41 -8.655 1.438 -3.030
774 2HG GLN 41 2HG GLN 41 -9.102 0.385 -4.372
775 1HE2 GLN 41 2HE2 GLN 41 -10.185 -1.299 -3.697
776 2HE2 GLN 41 1HE2 GLN 41 -9.884 -2.201 -2.255
777 H ARG 42 H ARG 42 -5.241 3.560 -5.071
778 HA ARG 42 HA ARG 42 -3.085 2.332 -6.514
779 1HB ARG 42 1HB ARG 42 -3.721 4.618 -7.068
780 2HB ARG 42 2HB ARG 42 -3.364 5.122 -5.422
781 1HG ARG 42 1HG ARG 42 -1.010 4.544 -5.761
782 2HG ARG 42 2HG ARG 42 -1.374 4.061 -7.418
783 1HD ARG 42 1HD ARG 42 -0.441 6.311 -7.347
784 2HD ARG 42 2HD ARG 42 -2.105 6.333 -7.927
785 HE ARG 42 HE ARG 42 -2.133 6.755 -5.164
786 1HH1 ARG 42 1HH1 ARG 42 -1.080 8.353 -8.075
787 2HH1 ARG 42 2HH1 ARG 42 -1.282 9.947 -7.427
788 1HH2 ARG 42 1HH2 ARG 42 -2.403 8.849 -4.303
789 2HH2 ARG 42 2HH2 ARG 42 -2.034 10.228 -5.283
790 H LEU 43 H LEU 43 -1.366 1.386 -5.626
791 HA LEU 43 HA LEU 43 -1.064 1.296 -2.788
792 1HB LEU 43 1HB LEU 43 0.839 0.347 -4.929
793 2HB LEU 43 2HB LEU 43 0.907 -0.077 -3.231
794 HG LEU 43 HG LEU 43 -1.193 -0.895 -5.232
795 1HD1 LEU 43 1HD1 LEU 43 -1.138 -1.274 -2.244
796 2HD1 LEU 43 2HD1 LEU 43 -2.340 -0.391 -3.185
797 3HD1 LEU 43 3HD1 LEU 43 -2.209 -2.143 -3.344
798 1HD2 LEU 43 1HD2 LEU 43 1.229 -2.073 -4.245
799 2HD2 LEU 43 2HD2 LEU 43 -0.158 -3.065 -3.793
800 3HD2 LEU 43 3HD2 LEU 43 0.123 -2.663 -5.487
801 H ILE 44 H ILE 44 0.233 2.420 -1.480
802 HA ILE 44 HA ILE 44 2.385 4.046 -2.598
803 HB ILE 44 HB ILE 44 0.213 5.197 -0.846
804 1HG1 ILE 44 1HG1 ILE 44 1.012 5.866 -3.687
805 2HG1 ILE 44 2HG1 ILE 44 -0.413 4.938 -3.227
806 1HG2 ILE 44 1HG2 ILE 44 2.542 5.984 -0.355
807 2HG2 ILE 44 2HG2 ILE 44 2.606 6.613 -2.001
808 3HG2 ILE 44 3HG2 ILE 44 1.422 7.250 -0.860
809 1HD1 ILE 44 1HD1 ILE 44 -0.328 7.460 -1.846
810 2HD1 ILE 44 2HD1 ILE 44 -0.245 7.675 -3.594
811 3HD1 ILE 44 3HD1 ILE 44 -1.583 6.778 -2.878
812 H PHE 45 H PHE 45 4.147 4.019 -1.338
813 HA PHE 45 HA PHE 45 3.842 3.154 1.461
814 1HB PHE 45 1HB PHE 45 6.058 2.326 -0.429
815 2HB PHE 45 2HB PHE 45 5.889 1.831 1.252
816 HD1 PHE 45 HD1 PHE 45 4.974 -0.230 1.672
817 HD2 PHE 45 HD2 PHE 45 3.949 1.776 -1.938
818 HE1 PHE 45 HE1 PHE 45 3.686 -2.198 0.947
819 HE2 PHE 45 HE2 PHE 45 2.655 -0.184 -2.666
820 HZ PHE 45 HZ PHE 45 2.523 -2.174 -1.224
821 H ALA 46 H ALA 46 5.319 4.019 2.955
822 HA ALA 46 HA ALA 46 7.368 5.860 2.092
823 1HB ALA 46 1HB ALA 46 6.420 7.806 3.287
824 2HB ALA 46 2HB ALA 46 4.929 6.898 3.534
825 3HB ALA 46 3HB ALA 46 5.448 7.312 1.900
826 H GLY 47 H GLY 47 8.981 5.932 3.534
827 1HA GLY 47 1HA GLY 47 10.215 5.424 5.402
828 2HA GLY 47 2HA GLY 47 8.966 4.260 5.813
829 H LYS 48 H LYS 48 8.798 4.663 7.975
830 HA LYS 48 HA LYS 48 7.248 6.902 8.791
831 1HB LYS 48 1HB LYS 48 8.700 4.817 10.419
832 2HB LYS 48 2HB LYS 48 7.595 6.006 11.088
833 1HG LYS 48 1HG LYS 48 6.883 3.887 9.072
834 2HG LYS 48 2HG LYS 48 6.525 3.836 10.797
835 1HD LYS 48 1HD LYS 48 5.510 5.920 8.864
836 2HD LYS 48 2HD LYS 48 4.582 4.543 9.462
837 1HE LYS 48 1HE LYS 48 4.815 5.385 11.750
838 2HE LYS 48 2HE LYS 48 5.735 6.762 11.148
839 1HZ LYS 48 1HZ LYS 48 3.373 6.683 9.699
840 2HZ LYS 48 2HZ LYS 48 2.938 6.446 11.316
841 3HZ LYS 48 3HZ LYS 48 3.825 7.817 10.869
842 H GLN 49 H GLN 49 8.705 8.579 7.963
843 HA GLN 49 HA GLN 49 11.186 9.085 9.259
844 1HB GLN 49 1HB GLN 49 9.324 10.936 7.752
845 2HB GLN 49 2HB GLN 49 10.940 11.371 8.283
846 1HG GLN 49 1HG GLN 49 10.313 9.122 6.387
847 2HG GLN 49 2HG GLN 49 10.800 10.742 5.898
848 1HE2 GLN 49 2HE2 GLN 49 12.443 10.303 8.646
849 2HE2 GLN 49 1HE2 GLN 49 13.899 9.608 8.033
850 H LEU 50 H LEU 50 11.308 9.465 11.364
851 HA LEU 50 HA LEU 50 9.244 10.107 13.075
852 1HB LEU 50 1HB LEU 50 12.202 10.605 13.339
853 2HB LEU 50 2HB LEU 50 11.070 10.918 14.639
854 HG LEU 50 HG LEU 50 12.161 8.779 14.975
855 1HD1 LEU 50 1HD1 LEU 50 12.561 8.398 12.502
856 2HD1 LEU 50 2HD1 LEU 50 12.098 6.986 13.454
857 3HD1 LEU 50 3HD1 LEU 50 10.906 7.790 12.432
858 1HD2 LEU 50 1HD2 LEU 50 9.711 9.144 15.533
859 2HD2 LEU 50 2HD2 LEU 50 9.352 8.182 14.098
860 3HD2 LEU 50 3HD2 LEU 50 10.265 7.473 15.431
861 H GLU 51 H GLU 51 8.057 11.744 11.943
862 HA GLU 51 HA GLU 51 7.339 13.877 11.601
863 1HB GLU 51 1HB GLU 51 9.267 14.489 13.849
864 2HB GLU 51 2HB GLU 51 8.009 15.570 13.266
865 1HG GLU 51 1HG GLU 51 6.306 13.962 13.945
866 2HG GLU 51 2HG GLU 51 7.565 12.871 14.521
No H/Q in entry = 866
Start of MODEL 11
1 H1 GLY -1 H1 GLY -1 4.229 -6.967 -16.794
2 H2 GLY -1 H2 GLY -1 4.262 -5.347 -17.276
3 H3 GLY -1 H3 GLY -1 5.711 -6.172 -16.984
4 1HA GLY -1 1HA GLY -1 4.930 -4.587 -15.190
5 2HA GLY -1 2HA GLY -1 5.411 -6.200 -14.694
6 H SER 0 H SER 0 4.155 -6.624 -12.979
7 HA SER 0 HA SER 0 1.425 -7.237 -13.346
8 1HB SER 0 1HB SER 0 2.791 -8.382 -11.670
9 2HB SER 0 2HB SER 0 2.988 -6.872 -10.780
10 HG SER 0 HG SER 0 0.975 -7.000 -10.074
11 H MET 1 H MET 1 2.943 -4.682 -11.373
12 HA MET 1 HA MET 1 1.153 -2.671 -12.166
13 1HB MET 1 1HB MET 1 -0.104 -2.407 -10.022
14 2HB MET 1 2HB MET 1 -0.555 -3.827 -10.953
15 1HG MET 1 1HG MET 1 0.677 -5.259 -9.492
16 2HG MET 1 2HG MET 1 1.367 -3.879 -8.640
17 1HE MET 1 1HE MET 1 0.045 -2.096 -7.743
18 2HE MET 1 2HE MET 1 -1.710 -2.037 -7.919
19 3HE MET 1 3HE MET 1 -0.995 -2.529 -6.384
20 H GLN 2 H GLN 2 2.411 -0.987 -12.031
21 HA GLN 2 HA GLN 2 4.648 -0.802 -10.280
22 1HB GLN 2 1HB GLN 2 4.117 0.223 -12.675
23 2HB GLN 2 2HB GLN 2 3.549 1.575 -11.708
24 1HG GLN 2 1HG GLN 2 5.691 1.887 -10.744
25 2HG GLN 2 2HG GLN 2 6.288 0.381 -11.439
26 1HE2 GLN 2 2HE2 GLN 2 7.626 0.733 -13.046
27 2HE2 GLN 2 1HE2 GLN 2 7.501 1.983 -14.231
28 H ILE 3 H ILE 3 4.837 0.241 -8.348
29 HA ILE 3 HA ILE 3 2.446 1.627 -7.325
30 HB ILE 3 HB ILE 3 3.025 0.910 -5.090
31 1HG1 ILE 3 1HG1 ILE 3 5.354 -0.543 -6.359
32 2HG1 ILE 3 2HG1 ILE 3 5.473 0.887 -5.339
33 1HG2 ILE 3 1HG2 ILE 3 2.977 -1.329 -7.098
34 2HG2 ILE 3 2HG2 ILE 3 2.744 -1.548 -5.363
35 3HG2 ILE 3 3HG2 ILE 3 1.600 -0.578 -6.291
36 1HD1 ILE 3 1HD1 ILE 3 3.982 -1.173 -4.007
37 2HD1 ILE 3 2HD1 ILE 3 5.552 -1.778 -4.540
38 3HD1 ILE 3 3HD1 ILE 3 5.462 -0.351 -3.508
39 H PHE 4 H PHE 4 2.677 3.493 -6.142
40 HA PHE 4 HA PHE 4 5.174 4.938 -6.546
41 1HB PHE 4 1HB PHE 4 2.496 5.843 -5.457
42 2HB PHE 4 2HB PHE 4 3.882 6.895 -5.698
43 HD1 PHE 4 HD1 PHE 4 3.587 8.304 -7.465
44 HD2 PHE 4 HD2 PHE 4 2.180 4.300 -7.786
45 HE1 PHE 4 HE1 PHE 4 2.853 8.750 -9.770
46 HE2 PHE 4 HE2 PHE 4 1.447 4.739 -10.092
47 HZ PHE 4 HZ PHE 4 1.782 6.966 -11.088
48 H VAL 5 H VAL 5 6.594 5.435 -4.935
49 HA VAL 5 HA VAL 5 5.764 5.072 -2.155
50 HB VAL 5 HB VAL 5 8.114 3.614 -3.366
51 1HG1 VAL 5 1HG1 VAL 5 5.792 2.648 -3.654
52 2HG1 VAL 5 2HG1 VAL 5 6.980 1.606 -2.869
53 3HG1 VAL 5 3HG1 VAL 5 5.765 2.444 -1.903
54 1HG2 VAL 5 1HG2 VAL 5 7.755 4.595 -0.719
55 2HG2 VAL 5 2HG2 VAL 5 7.654 2.834 -0.687
56 3HG2 VAL 5 3HG2 VAL 5 9.076 3.624 -1.369
57 H LYS 6 H LYS 6 6.721 6.412 -0.762
58 HA LYS 6 HA LYS 6 8.548 8.414 -1.826
59 1HB LYS 6 1HB LYS 6 6.574 9.180 -0.585
60 2HB LYS 6 2HB LYS 6 7.095 8.267 0.824
61 1HG LYS 6 1HG LYS 6 9.096 9.672 0.987
62 2HG LYS 6 2HG LYS 6 8.549 10.596 -0.411
63 1HD LYS 6 1HD LYS 6 7.054 10.329 2.196
64 2HD LYS 6 2HD LYS 6 8.025 11.721 1.714
65 1HE LYS 6 1HE LYS 6 6.551 12.083 -0.206
66 2HE LYS 6 2HE LYS 6 5.581 10.693 0.277
67 1HZ LYS 6 1HZ LYS 6 5.962 12.694 2.332
68 2HZ LYS 6 2HZ LYS 6 5.059 13.213 1.000
69 3HZ LYS 6 3HZ LYS 6 4.562 11.858 1.880
70 H THR 7 H THR 7 10.643 8.613 -1.238
71 HA THR 7 HA THR 7 11.910 6.431 0.081
72 HB THR 7 HB THR 7 13.994 7.727 -0.179
73 HG1 THR 7 HG1 THR 7 12.204 9.748 -1.094
74 1HG2 THR 7 1HG2 THR 7 12.491 6.582 -2.146
75 2HG2 THR 7 2HG2 THR 7 12.769 8.194 -2.805
76 3HG2 THR 7 3HG2 THR 7 14.138 7.177 -2.357
77 H LEU 8 H LEU 8 13.955 7.881 1.478
78 HA LEU 8 HA LEU 8 12.834 7.927 4.063
79 1HB LEU 8 1HB LEU 8 15.479 8.897 2.996
80 2HB LEU 8 2HB LEU 8 15.076 8.893 4.700
81 HG LEU 8 HG LEU 8 14.948 6.371 3.064
82 1HD1 LEU 8 1HD1 LEU 8 13.857 6.363 5.239
83 2HD1 LEU 8 2HD1 LEU 8 15.281 5.321 5.238
84 3HD1 LEU 8 3HD1 LEU 8 15.352 6.910 5.999
85 1HD2 LEU 8 1HD2 LEU 8 17.216 7.526 2.942
86 2HD2 LEU 8 2HD2 LEU 8 17.343 7.191 4.667
87 3HD2 LEU 8 3HD2 LEU 8 17.180 5.862 3.520
88 H THR 9 H THR 9 14.361 10.648 2.308
89 HA THR 9 HA THR 9 13.121 12.563 4.056
90 HB THR 9 HB THR 9 15.311 13.083 3.185
91 HG1 THR 9 HG1 THR 9 13.890 14.929 1.698
92 1HG2 THR 9 1HG2 THR 9 15.184 11.839 1.079
93 2HG2 THR 9 2HG2 THR 9 14.045 13.026 0.444
94 3HG2 THR 9 3HG2 THR 9 15.703 13.503 0.806
95 H GLY 10 H GLY 10 12.719 11.604 0.664
96 1HA GLY 10 1HA GLY 10 10.462 13.400 0.332
97 2HA GLY 10 2HA GLY 10 10.055 11.693 0.394
98 H LYS 11 H LYS 11 10.141 10.553 -1.441
99 HA LYS 11 HA LYS 11 10.709 11.874 -3.898
100 1HB LYS 11 1HB LYS 11 13.016 11.383 -3.230
101 2HB LYS 11 2HB LYS 11 12.610 9.686 -3.038
102 1HG LYS 11 1HG LYS 11 12.084 9.566 -5.443
103 2HG LYS 11 2HG LYS 11 12.585 11.250 -5.611
104 1HD LYS 11 1HD LYS 11 14.332 8.978 -4.664
105 2HD LYS 11 2HD LYS 11 14.369 9.703 -6.270
106 1HE LYS 11 1HE LYS 11 14.973 11.115 -3.676
107 2HE LYS 11 2HE LYS 11 16.161 10.571 -4.856
108 1HZ LYS 11 1HZ LYS 11 14.380 12.104 -6.278
109 2HZ LYS 11 2HZ LYS 11 14.614 12.955 -4.836
110 3HZ LYS 11 3HZ LYS 11 15.941 12.549 -5.803
111 H THR 12 H THR 12 9.405 11.032 -5.394
112 HA THR 12 HA THR 12 7.836 8.712 -4.816
113 HB THR 12 HB THR 12 8.050 10.304 -7.382
114 HG1 THR 12 HG1 THR 12 7.064 11.027 -5.084
115 1HG2 THR 12 1HG2 THR 12 6.400 7.981 -6.562
116 2HG2 THR 12 2HG2 THR 12 5.590 9.264 -7.461
117 3HG2 THR 12 3HG2 THR 12 6.987 8.446 -8.159
118 H ILE 13 H ILE 13 8.104 6.644 -5.492
119 HA ILE 13 HA ILE 13 10.130 6.115 -7.553
120 HB ILE 13 HB ILE 13 11.299 4.531 -6.332
121 1HG1 ILE 13 1HG1 ILE 13 8.969 4.425 -4.409
122 2HG1 ILE 13 2HG1 ILE 13 9.413 3.191 -5.580
123 1HG2 ILE 13 1HG2 ILE 13 11.251 6.983 -5.342
124 2HG2 ILE 13 2HG2 ILE 13 10.602 6.137 -3.937
125 3HG2 ILE 13 3HG2 ILE 13 12.182 5.692 -4.581
126 1HD1 ILE 13 1HD1 ILE 13 11.664 3.676 -3.935
127 2HD1 ILE 13 2HD1 ILE 13 10.252 3.468 -2.897
128 3HD1 ILE 13 3HD1 ILE 13 10.682 2.217 -4.066
129 H THR 14 H THR 14 9.599 4.562 -8.976
130 HA THR 14 HA THR 14 6.952 3.378 -8.736
131 HB THR 14 HB THR 14 7.564 2.531 -11.109
132 HG1 THR 14 HG1 THR 14 9.142 4.586 -11.676
133 1HG2 THR 14 1HG2 THR 14 6.491 4.970 -10.102
134 2HG2 THR 14 2HG2 THR 14 7.401 5.321 -11.572
135 3HG2 THR 14 3HG2 THR 14 6.102 4.128 -11.603
136 H LEU 15 H LEU 15 6.525 1.178 -8.759
137 HA LEU 15 HA LEU 15 8.651 -0.749 -8.953
138 1HB LEU 15 1HB LEU 15 9.156 -0.204 -6.746
139 2HB LEU 15 2HB LEU 15 7.478 0.045 -6.320
140 HG LEU 15 HG LEU 15 7.081 -2.356 -6.336
141 1HD1 LEU 15 1HD1 LEU 15 9.424 -1.410 -4.709
142 2HD1 LEU 15 2HD1 LEU 15 7.723 -1.468 -4.241
143 3HD1 LEU 15 3HD1 LEU 15 8.633 -2.965 -4.453
144 1HD2 LEU 15 1HD2 LEU 15 9.485 -2.423 -7.846
145 2HD2 LEU 15 2HD2 LEU 15 9.705 -3.394 -6.391
146 3HD2 LEU 15 3HD2 LEU 15 8.365 -3.735 -7.485
147 H GLU 16 H GLU 16 7.730 -2.271 -10.130
148 HA GLU 16 HA GLU 16 4.890 -2.799 -9.977
149 1HB GLU 16 1HB GLU 16 5.335 -4.346 -11.855
150 2HB GLU 16 2HB GLU 16 5.931 -2.723 -12.166
151 1HG GLU 16 1HG GLU 16 8.194 -3.495 -11.472
152 2HG GLU 16 2HG GLU 16 7.548 -5.130 -11.373
153 H VAL 17 H VAL 17 3.949 -4.484 -8.967
154 HA VAL 17 HA VAL 17 5.502 -6.820 -8.205
155 HB VAL 17 HB VAL 17 4.815 -6.715 -5.836
156 1HG1 VAL 17 1HG1 VAL 17 7.032 -5.865 -6.650
157 2HG1 VAL 17 2HG1 VAL 17 6.350 -4.241 -6.582
158 3HG1 VAL 17 3HG1 VAL 17 6.490 -5.201 -5.110
159 1HG2 VAL 17 1HG2 VAL 17 2.908 -5.073 -6.394
160 2HG2 VAL 17 2HG2 VAL 17 3.765 -4.893 -4.863
161 3HG2 VAL 17 3HG2 VAL 17 4.142 -3.828 -6.217
162 H GLU 18 H GLU 18 4.272 -8.642 -7.899
163 HA GLU 18 HA GLU 18 1.693 -8.667 -9.064
164 1HB GLU 18 1HB GLU 18 3.030 -10.815 -7.413
165 2HB GLU 18 2HB GLU 18 1.674 -11.039 -8.507
166 1HG GLU 18 1HG GLU 18 3.087 -10.395 -10.393
167 2HG GLU 18 2HG GLU 18 4.448 -10.174 -9.292
168 HA PRO 19 HA PRO 19 -0.875 -7.599 -5.608
169 1HB PRO 19 1HB PRO 19 -3.127 -8.962 -6.383
170 2HB PRO 19 2HB PRO 19 -2.653 -7.398 -7.033
171 1HG PRO 19 1HG PRO 19 -2.200 -10.139 -8.152
172 2HG PRO 19 2HG PRO 19 -2.763 -8.674 -8.974
173 1HD PRO 19 1HD PRO 19 -0.224 -9.455 -9.187
174 2HD PRO 19 2HD PRO 19 -0.633 -7.736 -9.014
175 H SER 20 H SER 20 -0.674 -10.949 -6.702
176 HA SER 20 HA SER 20 -1.720 -12.151 -4.376
177 1HB SER 20 1HB SER 20 -0.663 -14.219 -5.220
178 2HB SER 20 2HB SER 20 -1.536 -13.370 -6.494
179 HG SER 20 HG SER 20 0.384 -12.661 -7.332
180 H ASP 21 H ASP 21 1.400 -10.874 -5.197
181 HA ASP 21 HA ASP 21 2.999 -12.199 -3.330
182 1HB ASP 21 1HB ASP 21 3.225 -9.402 -4.457
183 2HB ASP 21 2HB ASP 21 4.482 -10.188 -3.508
184 H THR 22 H THR 22 3.299 -12.009 -1.198
185 HA THR 22 HA THR 22 1.386 -10.730 0.412
186 HB THR 22 HB THR 22 2.879 -11.290 2.318
187 HG1 THR 22 HG1 THR 22 4.602 -12.253 0.258
188 1HG2 THR 22 1HG2 THR 22 1.282 -12.928 1.326
189 2HG2 THR 22 2HG2 THR 22 2.608 -13.561 0.351
190 3HG2 THR 22 3HG2 THR 22 2.675 -13.675 2.109
191 H ILE 23 H ILE 23 1.481 -8.937 1.730
192 HA ILE 23 HA ILE 23 2.661 -6.638 0.739
193 HB ILE 23 HB ILE 23 1.881 -7.128 3.617
194 1HG1 ILE 23 1HG1 ILE 23 0.235 -6.081 1.299
195 2HG1 ILE 23 2HG1 ILE 23 0.057 -7.665 2.047
196 1HG2 ILE 23 1HG2 ILE 23 2.984 -4.855 2.267
197 2HG2 ILE 23 2HG2 ILE 23 1.352 -4.484 2.823
198 3HG2 ILE 23 3HG2 ILE 23 2.568 -5.046 3.970
199 1HD1 ILE 23 1HD1 ILE 23 -0.204 -5.218 3.725
200 2HD1 ILE 23 2HD1 ILE 23 -1.541 -5.724 2.691
201 3HD1 ILE 23 3HD1 ILE 23 -0.928 -6.812 3.936
202 H GLU 24 H GLU 24 3.861 -8.893 3.173
203 HA GLU 24 HA GLU 24 6.034 -7.378 4.091
204 1HB GLU 24 1HB GLU 24 6.980 -9.530 4.837
205 2HB GLU 24 2HB GLU 24 5.286 -9.363 5.268
206 1HG GLU 24 1HG GLU 24 4.664 -10.781 3.379
207 2HG GLU 24 2HG GLU 24 6.365 -10.951 2.951
208 H ASN 25 H ASN 25 5.736 -9.579 1.341
209 HA ASN 25 HA ASN 25 8.479 -9.575 0.650
210 1HB ASN 25 1HB ASN 25 6.026 -10.162 -1.012
211 2HB ASN 25 2HB ASN 25 7.675 -10.431 -1.559
212 1HD2 ASN 25 2HD2 ASN 25 7.731 -11.000 1.662
213 2HD2 ASN 25 1HD2 ASN 25 7.449 -12.700 1.665
214 H VAL 26 H VAL 26 5.721 -7.698 -0.640
215 HA VAL 26 HA VAL 26 7.210 -6.277 -2.550
216 HB VAL 26 HB VAL 26 5.384 -4.600 -2.516
217 1HG1 VAL 26 1HG1 VAL 26 5.307 -6.840 -3.733
218 2HG1 VAL 26 2HG1 VAL 26 4.186 -7.349 -2.471
219 3HG1 VAL 26 3HG1 VAL 26 3.785 -5.980 -3.511
220 1HG2 VAL 26 1HG2 VAL 26 4.289 -6.280 -0.267
221 2HG2 VAL 26 2HG2 VAL 26 4.867 -4.618 -0.146
222 3HG2 VAL 26 3HG2 VAL 26 3.426 -4.983 -1.094
223 H LYS 27 H LYS 27 6.442 -5.481 0.836
224 HA LYS 27 HA LYS 27 7.628 -2.925 0.823
225 1HB LYS 27 1HB LYS 27 7.292 -4.861 3.123
226 2HB LYS 27 2HB LYS 27 7.741 -3.170 3.290
227 1HG LYS 27 1HG LYS 27 5.564 -2.617 2.127
228 2HG LYS 27 2HG LYS 27 5.128 -4.311 2.353
229 1HD LYS 27 1HD LYS 27 5.827 -2.345 4.535
230 2HD LYS 27 2HD LYS 27 4.209 -2.932 4.142
231 1HE LYS 27 1HE LYS 27 6.508 -4.637 5.094
232 2HE LYS 27 2HE LYS 27 5.166 -4.078 6.092
233 1HZ LYS 27 1HZ LYS 27 4.508 -5.536 3.652
234 2HZ LYS 27 2HZ LYS 27 5.164 -6.428 4.930
235 3HZ LYS 27 3HZ LYS 27 3.738 -5.545 5.157
236 H ALA 28 H ALA 28 8.905 -6.130 1.590
237 HA ALA 28 HA ALA 28 11.472 -5.343 2.396
238 1HB ALA 28 1HB ALA 28 11.706 -7.832 1.094
239 2HB ALA 28 2HB ALA 28 11.552 -7.520 2.823
240 3HB ALA 28 3HB ALA 28 10.110 -7.796 1.845
241 H LYS 29 H LYS 29 10.016 -5.697 -0.735
242 HA LYS 29 HA LYS 29 12.358 -5.821 -2.313
243 1HB LYS 29 1HB LYS 29 10.005 -6.342 -3.071
244 2HB LYS 29 2HB LYS 29 9.685 -4.614 -3.072
245 1HG LYS 29 1HG LYS 29 10.157 -5.198 -5.300
246 2HG LYS 29 2HG LYS 29 11.602 -4.383 -4.691
247 1HD LYS 29 1HD LYS 29 12.642 -6.562 -4.269
248 2HD LYS 29 2HD LYS 29 11.201 -7.367 -4.887
249 1HE LYS 29 1HE LYS 29 12.921 -7.304 -6.594
250 2HE LYS 29 2HE LYS 29 11.554 -6.300 -7.069
251 1HZ LYS 29 1HZ LYS 29 12.886 -4.394 -6.081
252 2HZ LYS 29 2HZ LYS 29 14.213 -5.440 -6.114
253 3HZ LYS 29 3HZ LYS 29 13.427 -5.028 -7.553
254 H ILE 30 H ILE 30 10.350 -3.157 -1.144
255 HA ILE 30 HA ILE 30 11.630 -1.066 -2.474
256 HB ILE 30 HB ILE 30 10.426 -0.950 0.293
257 1HG1 ILE 30 1HG1 ILE 30 9.130 -0.542 -2.413
258 2HG1 ILE 30 2HG1 ILE 30 8.864 -1.918 -1.350
259 1HG2 ILE 30 1HG2 ILE 30 11.793 0.997 -0.327
260 2HG2 ILE 30 2HG2 ILE 30 10.821 1.205 -1.783
261 3HG2 ILE 30 3HG2 ILE 30 10.084 1.410 -0.195
262 1HD1 ILE 30 1HD1 ILE 30 8.180 0.934 -0.687
263 2HD1 ILE 30 2HD1 ILE 30 7.043 -0.287 -1.257
264 3HD1 ILE 30 3HD1 ILE 30 7.842 -0.487 0.303
265 H GLN 31 H GLN 31 12.511 -2.897 0.374
266 HA GLN 31 HA GLN 31 14.507 -1.230 1.429
267 1HB GLN 31 1HB GLN 31 14.463 -4.259 1.332
268 2HB GLN 31 2HB GLN 31 15.453 -3.279 2.404
269 1HG GLN 31 1HG GLN 31 13.445 -2.431 3.492
270 2HG GLN 31 2HG GLN 31 12.449 -3.412 2.415
271 1HE2 GLN 31 2HE2 GLN 31 14.015 -3.284 5.341
272 2HE2 GLN 31 1HE2 GLN 31 13.953 -4.957 5.761
273 H ASP 32 H ASP 32 14.570 -3.812 -0.959
274 HA ASP 32 HA ASP 32 17.287 -3.644 -1.630
275 1HB ASP 32 1HB ASP 32 14.952 -4.510 -3.347
276 2HB ASP 32 2HB ASP 32 16.646 -4.814 -3.713
277 H LYS 33 H LYS 33 14.424 -1.984 -2.690
278 HA LYS 33 HA LYS 33 15.542 -0.560 -4.861
279 1HB LYS 33 1HB LYS 33 13.063 -0.293 -3.196
280 2HB LYS 33 2HB LYS 33 13.491 0.975 -4.339
281 1HG LYS 33 1HG LYS 33 13.099 -1.928 -5.040
282 2HG LYS 33 2HG LYS 33 11.897 -0.655 -5.259
283 1HD LYS 33 1HD LYS 33 13.464 0.529 -6.752
284 2HD LYS 33 2HD LYS 33 14.607 -0.801 -6.575
285 1HE LYS 33 1HE LYS 33 11.828 -1.005 -7.722
286 2HE LYS 33 2HE LYS 33 13.326 -0.986 -8.650
287 1HZ LYS 33 1HZ LYS 33 13.231 -2.993 -6.578
288 2HZ LYS 33 2HZ LYS 33 12.083 -3.209 -7.801
289 3HZ LYS 33 3HZ LYS 33 13.727 -3.122 -8.190
290 H GLU 34 H GLU 34 15.620 -0.107 -1.437
291 HA GLU 34 HA GLU 34 17.365 2.180 -1.762
292 1HB GLU 34 1HB GLU 34 15.137 3.215 -1.687
293 2HB GLU 34 2HB GLU 34 14.808 2.403 -0.163
294 1HG GLU 34 1HG GLU 34 15.405 4.724 0.195
295 2HG GLU 34 2HG GLU 34 16.608 3.648 0.904
296 H GLY 35 H GLY 35 15.567 1.487 1.184
297 1HA GLY 35 1HA GLY 35 18.027 1.029 2.604
298 2HA GLY 35 2HA GLY 35 17.067 -0.429 2.415
299 H ILE 36 H ILE 36 14.601 0.076 2.953
300 HA ILE 36 HA ILE 36 14.634 1.202 5.650
301 HB ILE 36 HB ILE 36 12.092 1.812 4.677
302 1HG1 ILE 36 1HG1 ILE 36 12.630 3.379 2.793
303 2HG1 ILE 36 2HG1 ILE 36 14.232 2.655 2.714
304 1HG2 ILE 36 1HG2 ILE 36 14.445 3.223 5.693
305 2HG2 ILE 36 2HG2 ILE 36 13.340 4.215 4.740
306 3HG2 ILE 36 3HG2 ILE 36 12.746 3.346 6.157
307 1HD1 ILE 36 1HD1 ILE 36 12.846 0.434 2.476
308 2HD1 ILE 36 2HD1 ILE 36 11.609 1.550 1.894
309 3HD1 ILE 36 3HD1 ILE 36 13.178 1.474 1.089
310 HA PRO 37 HA PRO 37 12.969 -2.846 6.628
311 1HB PRO 37 1HB PRO 37 11.825 -1.062 8.753
312 2HB PRO 37 2HB PRO 37 12.514 -2.682 8.909
313 1HG PRO 37 1HG PRO 37 13.952 -0.537 9.544
314 2HG PRO 37 2HG PRO 37 14.698 -1.910 8.707
315 1HD PRO 37 1HD PRO 37 14.010 0.778 7.676
316 2HD PRO 37 2HD PRO 37 15.251 -0.359 7.124
317 HA PRO 38 HA PRO 38 8.927 -2.696 4.805
318 1HB PRO 38 1HB PRO 38 7.865 -4.925 6.032
319 2HB PRO 38 2HB PRO 38 8.909 -4.967 4.610
320 1HG PRO 38 1HG PRO 38 9.605 -5.389 7.487
321 2HG PRO 38 2HG PRO 38 10.172 -6.269 6.057
322 1HD PRO 38 1HD PRO 38 11.698 -4.420 7.253
323 2HD PRO 38 2HD PRO 38 11.693 -4.613 5.487
324 H ASP 39 H ASP 39 9.207 -3.183 8.299
325 HA ASP 39 HA ASP 39 6.557 -2.625 8.998
326 1HB ASP 39 1HB ASP 39 9.094 -2.153 10.577
327 2HB ASP 39 2HB ASP 39 7.468 -2.134 11.250
328 H GLN 40 H GLN 40 9.325 -0.498 8.483
329 HA GLN 40 HA GLN 40 8.146 1.862 9.448
330 1HB GLN 40 1HB GLN 40 10.301 1.457 7.374
331 2HB GLN 40 2HB GLN 40 9.893 3.007 8.094
332 1HG GLN 40 1HG GLN 40 10.656 2.336 10.219
333 2HG GLN 40 2HG GLN 40 10.742 0.643 9.734
334 1HE2 GLN 40 2HE2 GLN 40 11.800 2.170 7.119
335 2HE2 GLN 40 1HE2 GLN 40 13.494 2.234 7.436
336 H GLN 41 H GLN 41 8.189 0.377 6.247
337 HA GLN 41 HA GLN 41 7.136 2.412 4.712
338 1HB GLN 41 1HB GLN 41 6.463 -0.523 4.459
339 2HB GLN 41 2HB GLN 41 6.354 0.688 3.189
340 1HG GLN 41 1HG GLN 41 8.876 -0.252 4.534
341 2HG GLN 41 2HG GLN 41 8.330 -0.688 2.917
342 1HE2 GLN 41 2HE2 GLN 41 9.270 0.381 1.355
343 2HE2 GLN 41 1HE2 GLN 41 9.913 1.979 1.445
344 H ARG 42 H ARG 42 5.251 3.448 4.643
345 HA ARG 42 HA ARG 42 3.085 2.504 6.319
346 1HB ARG 42 1HB ARG 42 3.498 5.149 4.933
347 2HB ARG 42 2HB ARG 42 2.120 4.763 5.953
348 1HG ARG 42 1HG ARG 42 3.590 4.479 7.866
349 2HG ARG 42 2HG ARG 42 4.993 4.810 6.850
350 1HD ARG 42 1HD ARG 42 4.110 7.049 6.378
351 2HD ARG 42 2HD ARG 42 2.727 6.716 7.417
352 HE ARG 42 HE ARG 42 5.059 6.295 8.900
353 1HH1 ARG 42 1HH1 ARG 42 3.320 8.909 7.388
354 2HH1 ARG 42 2HH1 ARG 42 3.884 10.103 8.509
355 1HH2 ARG 42 1HH2 ARG 42 5.806 7.859 10.380
356 2HH2 ARG 42 2HH2 ARG 42 5.297 9.507 10.209
357 H LEU 43 H LEU 43 1.326 1.536 5.520
358 HA LEU 43 HA LEU 43 1.038 1.235 2.675
359 1HB LEU 43 1HB LEU 43 -0.739 0.314 4.932
360 2HB LEU 43 2HB LEU 43 -0.953 -0.120 3.249
361 HG LEU 43 HG LEU 43 1.346 -0.898 5.040
362 1HD1 LEU 43 1HD1 LEU 43 2.016 -0.355 2.678
363 2HD1 LEU 43 2HD1 LEU 43 2.338 -2.011 3.191
364 3HD1 LEU 43 3HD1 LEU 43 0.953 -1.663 2.156
365 1HD2 LEU 43 1HD2 LEU 43 -1.001 -2.335 3.864
366 2HD2 LEU 43 2HD2 LEU 43 0.472 -3.203 4.294
367 3HD2 LEU 43 3HD2 LEU 43 -0.424 -2.320 5.530
368 H ILE 44 H ILE 44 -0.273 2.290 1.333
369 HA ILE 44 HA ILE 44 -2.474 3.884 2.397
370 HB ILE 44 HB ILE 44 -0.325 5.046 0.625
371 1HG1 ILE 44 1HG1 ILE 44 -1.183 5.769 3.436
372 2HG1 ILE 44 2HG1 ILE 44 0.282 4.888 3.018
373 1HG2 ILE 44 1HG2 ILE 44 -2.870 5.662 0.327
374 2HG2 ILE 44 2HG2 ILE 44 -2.557 6.664 1.744
375 3HG2 ILE 44 3HG2 ILE 44 -1.618 6.901 0.270
376 1HD1 ILE 44 1HD1 ILE 44 -0.100 7.507 1.721
377 2HD1 ILE 44 2HD1 ILE 44 0.236 7.507 3.453
378 3HD1 ILE 44 3HD1 ILE 44 1.364 6.740 2.336
379 H PHE 45 H PHE 45 -4.225 3.793 1.136
380 HA PHE 45 HA PHE 45 -3.914 2.818 -1.626
381 1HB PHE 45 1HB PHE 45 -6.079 2.053 0.349
382 2HB PHE 45 2HB PHE 45 -6.004 1.535 -1.333
383 HD1 PHE 45 HD1 PHE 45 -3.846 1.525 1.718
384 HD2 PHE 45 HD2 PHE 45 -5.181 -0.562 -1.741
385 HE1 PHE 45 HE1 PHE 45 -2.521 -0.433 2.395
386 HE2 PHE 45 HE2 PHE 45 -3.858 -2.525 -1.069
387 HZ PHE 45 HZ PHE 45 -2.526 -2.463 1.001
388 H ALA 46 H ALA 46 -5.378 3.653 -3.175
389 HA ALA 46 HA ALA 46 -7.429 5.518 -2.324
390 1HB ALA 46 1HB ALA 46 -5.421 6.914 -2.229
391 2HB ALA 46 2HB ALA 46 -5.075 6.532 -3.916
392 3HB ALA 46 3HB ALA 46 -6.523 7.448 -3.497
393 H GLY 47 H GLY 47 -9.092 5.424 -3.677
394 1HA GLY 47 1HA GLY 47 -10.370 4.792 -5.479
395 2HA GLY 47 2HA GLY 47 -9.028 3.782 -5.990
396 H LYS 48 H LYS 48 -10.947 5.767 -7.337
397 HA LYS 48 HA LYS 48 -8.885 7.011 -9.000
398 1HB LYS 48 1HB LYS 48 -10.573 5.567 -10.088
399 2HB LYS 48 2HB LYS 48 -11.835 6.658 -9.535
400 1HG LYS 48 1HG LYS 48 -11.312 7.074 -11.858
401 2HG LYS 48 2HG LYS 48 -10.855 8.463 -10.869
402 1HD LYS 48 1HD LYS 48 -8.527 7.708 -10.884
403 2HD LYS 48 2HD LYS 48 -8.984 6.318 -11.871
404 1HE LYS 48 1HE LYS 48 -9.262 9.215 -12.660
405 2HE LYS 48 2HE LYS 48 -8.016 8.108 -13.229
406 1HZ LYS 48 1HZ LYS 48 -9.939 6.696 -14.053
407 2HZ LYS 48 2HZ LYS 48 -10.912 8.058 -13.813
408 3HZ LYS 48 3HZ LYS 48 -9.620 8.125 -14.902
409 H GLN 49 H GLN 49 -8.486 8.606 -7.318
410 HA GLN 49 HA GLN 49 -10.460 10.570 -6.722
411 1HB GLN 49 1HB GLN 49 -7.440 10.650 -6.534
412 2HB GLN 49 2HB GLN 49 -8.494 11.923 -5.943
413 1HG GLN 49 1HG GLN 49 -7.783 10.496 -4.130
414 2HG GLN 49 2HG GLN 49 -9.521 10.352 -4.384
415 1HE2 GLN 49 2HE2 GLN 49 -10.241 8.378 -4.209
416 2HE2 GLN 49 1HE2 GLN 49 -9.390 6.936 -4.624
417 H LEU 50 H LEU 50 -11.353 11.572 -8.398
418 HA LEU 50 HA LEU 50 -10.432 12.023 -10.908
419 1HB LEU 50 1HB LEU 50 -12.243 13.732 -9.220
420 2HB LEU 50 2HB LEU 50 -11.931 14.086 -10.905
421 HG LEU 50 HG LEU 50 -14.045 12.898 -10.624
422 1HD1 LEU 50 1HD1 LEU 50 -13.349 11.647 -8.573
423 2HD1 LEU 50 2HD1 LEU 50 -14.199 10.681 -9.778
424 3HD1 LEU 50 3HD1 LEU 50 -12.447 10.551 -9.622
425 1HD2 LEU 50 1HD2 LEU 50 -11.892 12.098 -12.318
426 2HD2 LEU 50 2HD2 LEU 50 -12.880 10.692 -11.921
427 3HD2 LEU 50 3HD2 LEU 50 -13.624 12.116 -12.649
428 H GLU 51 H GLU 51 -8.160 12.427 -10.675
429 HA GLU 51 HA GLU 51 -7.076 14.722 -9.470
430 1HB GLU 51 1HB GLU 51 -5.091 14.285 -10.861
431 2HB GLU 51 2HB GLU 51 -5.690 12.824 -10.094
432 1HG GLU 51 1HG GLU 51 -6.774 12.172 -12.184
433 2HG GLU 51 2HG GLU 51 -6.163 13.634 -12.952
434 H1 GLY -1 H1 GLY -1 -4.577 -6.844 16.769
435 H2 GLY -1 H2 GLY -1 -4.629 -5.228 17.265
436 H3 GLY -1 H3 GLY -1 -6.067 -6.060 16.941
437 1HA GLY -1 1HA GLY -1 -5.271 -4.454 15.174
438 2HA GLY -1 2HA GLY -1 -5.724 -6.068 14.655
439 H SER 0 H SER 0 -4.422 -6.479 12.968
440 HA SER 0 HA SER 0 -1.695 -7.053 13.397
441 1HB SER 0 1HB SER 0 -3.007 -8.203 11.679
442 2HB SER 0 2HB SER 0 -3.186 -6.692 10.787
443 HG SER 0 HG SER 0 -1.152 -6.808 10.140
444 H MET 1 H MET 1 -3.198 -4.488 11.409
445 HA MET 1 HA MET 1 -1.498 -2.446 12.263
446 1HB MET 1 1HB MET 1 -0.078 -2.215 10.195
447 2HB MET 1 2HB MET 1 0.341 -3.561 11.245
448 1HG MET 1 1HG MET 1 -0.757 -5.115 9.777
449 2HG MET 1 2HG MET 1 -1.355 -3.798 8.770
450 1HE MET 1 1HE MET 1 0.055 -2.060 7.937
451 2HE MET 1 2HE MET 1 1.811 -2.012 8.108
452 3HE MET 1 3HE MET 1 1.085 -2.632 6.624
453 H GLN 2 H GLN 2 -2.989 -0.899 12.053
454 HA GLN 2 HA GLN 2 -4.954 -0.759 10.057
455 1HB GLN 2 1HB GLN 2 -3.833 1.401 11.847
456 2HB GLN 2 2HB GLN 2 -5.269 1.584 10.851
457 1HG GLN 2 1HG GLN 2 -6.350 -0.230 12.086
458 2HG GLN 2 2HG GLN 2 -4.916 -0.378 13.099
459 1HE2 GLN 2 2HE2 GLN 2 -7.925 0.799 13.058
460 2HE2 GLN 2 1HE2 GLN 2 -7.762 2.119 14.159
461 H ILE 3 H ILE 3 -5.121 0.481 8.206
462 HA ILE 3 HA ILE 3 -2.610 1.643 7.199
463 HB ILE 3 HB ILE 3 -3.267 0.978 4.940
464 1HG1 ILE 3 1HG1 ILE 3 -5.581 -0.428 6.281
465 2HG1 ILE 3 2HG1 ILE 3 -5.701 0.991 5.246
466 1HG2 ILE 3 1HG2 ILE 3 -3.199 -1.272 6.934
467 2HG2 ILE 3 2HG2 ILE 3 -2.998 -1.474 5.193
468 3HG2 ILE 3 3HG2 ILE 3 -1.828 -0.527 6.112
469 1HD1 ILE 3 1HD1 ILE 3 -4.283 -1.119 3.908
470 2HD1 ILE 3 2HD1 ILE 3 -5.854 -1.678 4.482
471 3HD1 ILE 3 3HD1 ILE 3 -5.752 -0.267 3.429
472 H PHE 4 H PHE 4 -2.727 3.568 6.085
473 HA PHE 4 HA PHE 4 -5.178 5.087 6.467
474 1HB PHE 4 1HB PHE 4 -2.441 5.909 5.469
475 2HB PHE 4 2HB PHE 4 -3.799 7.012 5.650
476 HD1 PHE 4 HD1 PHE 4 -3.596 8.387 7.454
477 HD2 PHE 4 HD2 PHE 4 -2.225 4.371 7.784
478 HE1 PHE 4 HE1 PHE 4 -2.954 8.801 9.793
479 HE2 PHE 4 HE2 PHE 4 -1.584 4.779 10.124
480 HZ PHE 4 HZ PHE 4 -1.948 6.996 11.132
481 H VAL 5 H VAL 5 -6.580 5.576 4.879
482 HA VAL 5 HA VAL 5 -5.756 5.222 2.090
483 HB VAL 5 HB VAL 5 -8.141 3.857 3.344
484 1HG1 VAL 5 1HG1 VAL 5 -5.886 2.794 3.633
485 2HG1 VAL 5 2HG1 VAL 5 -7.082 1.802 2.799
486 3HG1 VAL 5 3HG1 VAL 5 -5.821 2.622 1.879
487 1HG2 VAL 5 1HG2 VAL 5 -7.824 4.806 0.690
488 2HG2 VAL 5 2HG2 VAL 5 -7.737 3.045 0.657
489 3HG2 VAL 5 3HG2 VAL 5 -9.139 3.845 1.367
490 H LYS 6 H LYS 6 -6.906 6.420 0.600
491 HA LYS 6 HA LYS 6 -8.614 8.516 1.737
492 1HB LYS 6 1HB LYS 6 -6.629 9.289 0.520
493 2HB LYS 6 2HB LYS 6 -7.149 8.406 -0.907
494 1HG LYS 6 1HG LYS 6 -9.133 9.826 -1.064
495 2HG LYS 6 2HG LYS 6 -8.605 10.714 0.365
496 1HD LYS 6 1HD LYS 6 -7.073 10.507 -2.226
497 2HD LYS 6 2HD LYS 6 -8.046 11.890 -1.723
498 1HE LYS 6 1HE LYS 6 -6.600 12.197 0.227
499 2HE LYS 6 2HE LYS 6 -5.629 10.814 -0.275
500 1HZ LYS 6 1HZ LYS 6 -5.961 12.852 -2.295
501 2HZ LYS 6 2HZ LYS 6 -5.098 13.355 -0.932
502 3HZ LYS 6 3HZ LYS 6 -4.570 12.015 -1.818
503 H THR 7 H THR 7 -10.725 8.660 1.203
504 HA THR 7 HA THR 7 -11.974 6.519 -0.175
505 HB THR 7 HB THR 7 -14.065 7.809 0.088
506 HG1 THR 7 HG1 THR 7 -12.296 9.817 1.071
507 1HG2 THR 7 1HG2 THR 7 -12.567 6.641 2.050
508 2HG2 THR 7 2HG2 THR 7 -12.864 8.241 2.728
509 3HG2 THR 7 3HG2 THR 7 -14.220 7.219 2.253
510 H LEU 8 H LEU 8 -14.021 7.985 -1.583
511 HA LEU 8 HA LEU 8 -12.860 8.052 -4.150
512 1HB LEU 8 1HB LEU 8 -15.493 9.211 -3.239
513 2HB LEU 8 2HB LEU 8 -15.032 8.919 -4.901
514 HG LEU 8 HG LEU 8 -15.499 6.823 -2.777
515 1HD1 LEU 8 1HD1 LEU 8 -17.385 8.133 -4.123
516 2HD1 LEU 8 2HD1 LEU 8 -16.981 6.918 -5.334
517 3HD1 LEU 8 3HD1 LEU 8 -17.516 6.418 -3.730
518 1HD2 LEU 8 1HD2 LEU 8 -14.318 6.679 -5.504
519 2HD2 LEU 8 2HD2 LEU 8 -13.874 5.811 -4.034
520 3HD2 LEU 8 3HD2 LEU 8 -15.325 5.353 -4.924
521 H THR 9 H THR 9 -14.408 10.765 -2.416
522 HA THR 9 HA THR 9 -13.107 12.693 -4.096
523 HB THR 9 HB THR 9 -15.312 13.216 -3.272
524 HG1 THR 9 HG1 THR 9 -13.952 15.030 -1.705
525 1HG2 THR 9 1HG2 THR 9 -15.236 11.924 -1.186
526 2HG2 THR 9 2HG2 THR 9 -14.125 13.108 -0.496
527 3HG2 THR 9 3HG2 THR 9 -15.775 13.579 -0.902
528 H GLY 10 H GLY 10 -12.792 11.684 -0.709
529 1HA GLY 10 1HA GLY 10 -10.527 13.456 -0.303
530 2HA GLY 10 2HA GLY 10 -10.138 11.745 -0.368
531 H LYS 11 H LYS 11 -10.255 10.611 1.463
532 HA LYS 11 HA LYS 11 -10.892 11.918 3.909
533 1HB LYS 11 1HB LYS 11 -13.178 11.424 3.193
534 2HB LYS 11 2HB LYS 11 -12.762 9.730 2.983
535 1HG LYS 11 1HG LYS 11 -12.295 9.567 5.394
536 2HG LYS 11 2HG LYS 11 -12.786 11.251 5.582
537 1HD LYS 11 1HD LYS 11 -14.535 9.019 4.553
538 2HD LYS 11 2HD LYS 11 -14.592 9.700 6.178
539 1HE LYS 11 1HE LYS 11 -15.143 11.187 3.615
540 2HE LYS 11 2HE LYS 11 -16.354 10.625 4.764
541 1HZ LYS 11 1HZ LYS 11 -14.573 12.101 6.246
542 2HZ LYS 11 2HZ LYS 11 -14.791 12.993 4.827
543 3HZ LYS 11 3HZ LYS 11 -16.127 12.568 5.773
544 H THR 12 H THR 12 -9.666 11.056 5.464
545 HA THR 12 HA THR 12 -8.037 8.775 4.904
546 HB THR 12 HB THR 12 -8.377 10.289 7.502
547 HG1 THR 12 HG1 THR 12 -7.241 11.009 5.206
548 1HG2 THR 12 1HG2 THR 12 -6.668 8.022 6.672
549 2HG2 THR 12 2HG2 THR 12 -5.877 9.306 7.588
550 3HG2 THR 12 3HG2 THR 12 -7.268 8.463 8.271
551 H ILE 13 H ILE 13 -8.268 6.703 5.544
552 HA ILE 13 HA ILE 13 -10.349 6.051 7.506
553 HB ILE 13 HB ILE 13 -11.577 5.629 5.573
554 1HG1 ILE 13 1HG1 ILE 13 -10.175 3.057 6.312
555 2HG1 ILE 13 2HG1 ILE 13 -11.672 3.685 6.991
556 1HG2 ILE 13 1HG2 ILE 13 -9.778 5.990 3.975
557 2HG2 ILE 13 2HG2 ILE 13 -9.136 4.384 4.328
558 3HG2 ILE 13 3HG2 ILE 13 -10.719 4.556 3.570
559 1HD1 ILE 13 1HD1 ILE 13 -11.395 2.968 4.092
560 2HD1 ILE 13 2HD1 ILE 13 -11.885 1.805 5.324
561 3HD1 ILE 13 3HD1 ILE 13 -12.872 3.234 5.019
562 H THR 14 H THR 14 -9.571 4.789 9.024
563 HA THR 14 HA THR 14 -7.002 3.516 8.742
564 HB THR 14 HB THR 14 -8.440 2.723 11.124
565 HG1 THR 14 HG1 THR 14 -9.330 4.560 11.679
566 1HG2 THR 14 1HG2 THR 14 -5.883 3.934 10.325
567 2HG2 THR 14 2HG2 THR 14 -6.461 4.403 11.926
568 3HG2 THR 14 3HG2 THR 14 -6.225 2.697 11.538
569 H LEU 15 H LEU 15 -6.580 1.293 8.772
570 HA LEU 15 HA LEU 15 -8.710 -0.617 8.989
571 1HB LEU 15 1HB LEU 15 -9.087 0.288 6.736
572 2HB LEU 15 2HB LEU 15 -7.449 -0.113 6.285
573 HG LEU 15 HG LEU 15 -9.590 -2.127 6.995
574 1HD1 LEU 15 1HD1 LEU 15 -8.533 -1.147 4.353
575 2HD1 LEU 15 2HD1 LEU 15 -9.455 -2.639 4.542
576 3HD1 LEU 15 3HD1 LEU 15 -10.195 -1.089 4.943
577 1HD2 LEU 15 1HD2 LEU 15 -6.724 -2.361 6.199
578 2HD2 LEU 15 2HD2 LEU 15 -7.622 -3.236 7.440
579 3HD2 LEU 15 3HD2 LEU 15 -7.878 -3.614 5.737
580 H GLU 16 H GLU 16 -7.725 -2.119 10.162
581 HA GLU 16 HA GLU 16 -4.900 -2.635 9.937
582 1HB GLU 16 1HB GLU 16 -5.258 -4.153 11.822
583 2HB GLU 16 2HB GLU 16 -5.983 -2.581 12.130
584 1HG GLU 16 1HG GLU 16 -8.178 -3.496 11.503
585 2HG GLU 16 2HG GLU 16 -7.435 -5.076 11.270
586 H VAL 17 H VAL 17 -3.928 -4.464 9.149
587 HA VAL 17 HA VAL 17 -5.467 -6.740 8.259
588 HB VAL 17 HB VAL 17 -4.307 -6.473 5.913
589 1HG1 VAL 17 1HG1 VAL 17 -3.386 -4.194 6.901
590 2HG1 VAL 17 2HG1 VAL 17 -3.778 -4.388 5.192
591 3HG1 VAL 17 3HG1 VAL 17 -4.924 -3.601 6.275
592 1HG2 VAL 17 1HG2 VAL 17 -6.901 -5.728 6.962
593 2HG2 VAL 17 2HG2 VAL 17 -6.487 -4.847 5.493
594 3HG2 VAL 17 3HG2 VAL 17 -6.480 -6.609 5.492
595 H GLU 18 H GLU 18 -4.227 -8.559 7.887
596 HA GLU 18 HA GLU 18 -1.663 -8.596 9.120
597 1HB GLU 18 1HB GLU 18 -3.028 -10.739 7.484
598 2HB GLU 18 2HB GLU 18 -1.651 -10.976 8.550
599 1HG GLU 18 1HG GLU 18 -3.018 -10.335 10.465
600 2HG GLU 18 2HG GLU 18 -4.399 -10.088 9.397
601 HA PRO 19 HA PRO 19 0.908 -7.479 5.675
602 1HB PRO 19 1HB PRO 19 3.129 -8.922 6.470
603 2HB PRO 19 2HB PRO 19 2.725 -7.301 7.032
604 1HG PRO 19 1HG PRO 19 2.232 -9.929 8.345
605 2HG PRO 19 2HG PRO 19 2.761 -8.400 9.064
606 1HD PRO 19 1HD PRO 19 0.235 -9.212 9.288
607 2HD PRO 19 2HD PRO 19 0.615 -7.499 9.028
608 H SER 20 H SER 20 0.759 -10.844 6.762
609 HA SER 20 HA SER 20 1.816 -12.015 4.430
610 1HB SER 20 1HB SER 20 0.804 -14.108 5.265
611 2HB SER 20 2HB SER 20 1.652 -13.245 6.545
612 HG SER 20 HG SER 20 -0.301 -12.552 7.353
613 H ASP 21 H ASP 21 -1.297 -10.751 5.219
614 HA ASP 21 HA ASP 21 -2.882 -12.125 3.356
615 1HB ASP 21 1HB ASP 21 -3.166 -9.337 4.494
616 2HB ASP 21 2HB ASP 21 -4.402 -10.139 3.532
617 H THR 22 H THR 22 -3.137 -11.969 1.220
618 HA THR 22 HA THR 22 -1.265 -10.649 -0.388
619 HB THR 22 HB THR 22 -2.745 -11.220 -2.293
620 HG1 THR 22 HG1 THR 22 -4.485 -12.170 -0.242
621 1HG2 THR 22 1HG2 THR 22 -1.159 -12.859 -1.278
622 2HG2 THR 22 2HG2 THR 22 -2.502 -13.491 -0.323
623 3HG2 THR 22 3HG2 THR 22 -2.542 -13.602 -2.083
624 H ILE 23 H ILE 23 -1.383 -8.856 -1.713
625 HA ILE 23 HA ILE 23 -2.600 -6.572 -0.708
626 HB ILE 23 HB ILE 23 -1.759 -7.023 -3.576
627 1HG1 ILE 23 1HG1 ILE 23 -0.166 -5.987 -1.218
628 2HG1 ILE 23 2HG1 ILE 23 0.044 -7.559 -1.982
629 1HG2 ILE 23 1HG2 ILE 23 -2.905 -4.776 -2.215
630 2HG2 ILE 23 2HG2 ILE 23 -1.271 -4.385 -2.748
631 3HG2 ILE 23 3HG2 ILE 23 -2.469 -4.946 -3.915
632 1HD1 ILE 23 1HD1 ILE 23 0.299 -5.093 -3.634
633 2HD1 ILE 23 2HD1 ILE 23 1.623 -5.576 -2.572
634 3HD1 ILE 23 3HD1 ILE 23 1.060 -6.671 -3.834
635 H GLU 24 H GLU 24 -3.729 -8.825 -3.179
636 HA GLU 24 HA GLU 24 -5.893 -7.324 -4.138
637 1HB GLU 24 1HB GLU 24 -6.807 -9.484 -4.908
638 2HB GLU 24 2HB GLU 24 -5.108 -9.294 -5.309
639 1HG GLU 24 1HG GLU 24 -4.500 -10.715 -3.421
640 2HG GLU 24 2HG GLU 24 -6.203 -10.903 -3.015
641 H ASN 25 H ASN 25 -5.681 -9.609 -1.438
642 HA ASN 25 HA ASN 25 -8.438 -9.554 -0.793
643 1HB ASN 25 1HB ASN 25 -6.036 -10.253 0.906
644 2HB ASN 25 2HB ASN 25 -7.706 -10.524 1.385
645 1HD2 ASN 25 2HD2 ASN 25 -7.665 -10.965 -1.853
646 2HD2 ASN 25 1HD2 ASN 25 -7.394 -12.666 -1.915
647 H VAL 26 H VAL 26 -5.644 -7.791 0.521
648 HA VAL 26 HA VAL 26 -7.048 -6.411 2.521
649 HB VAL 26 HB VAL 26 -4.558 -6.600 2.378
650 1HG1 VAL 26 1HG1 VAL 26 -6.102 -4.624 3.478
651 2HG1 VAL 26 2HG1 VAL 26 -4.394 -4.906 3.811
652 3HG1 VAL 26 3HG1 VAL 26 -4.869 -3.716 2.601
653 1HG2 VAL 26 1HG2 VAL 26 -4.917 -4.530 0.224
654 2HG2 VAL 26 2HG2 VAL 26 -3.391 -4.816 1.060
655 3HG2 VAL 26 3HG2 VAL 26 -4.123 -6.100 0.098
656 H LYS 27 H LYS 27 -6.405 -5.566 -0.874
657 HA LYS 27 HA LYS 27 -7.520 -2.960 -0.728
658 1HB LYS 27 1HB LYS 27 -7.176 -4.810 -3.096
659 2HB LYS 27 2HB LYS 27 -7.684 -3.132 -3.218
660 1HG LYS 27 1HG LYS 27 -5.532 -2.512 -2.077
661 2HG LYS 27 2HG LYS 27 -5.029 -4.190 -2.295
662 1HD LYS 27 1HD LYS 27 -5.783 -2.248 -4.480
663 2HD LYS 27 2HD LYS 27 -4.154 -2.800 -4.088
664 1HE LYS 27 1HE LYS 27 -6.415 -4.551 -5.045
665 2HE LYS 27 2HE LYS 27 -5.086 -3.962 -6.042
666 1HZ LYS 27 1HZ LYS 27 -4.397 -5.413 -3.607
667 2HZ LYS 27 2HZ LYS 27 -5.031 -6.314 -4.890
668 3HZ LYS 27 3HZ LYS 27 -3.626 -5.398 -5.111
669 H ALA 28 H ALA 28 -8.832 -6.111 -1.655
670 HA ALA 28 HA ALA 28 -11.382 -5.292 -2.435
671 1HB ALA 28 1HB ALA 28 -11.482 -7.462 -2.892
672 2HB ALA 28 2HB ALA 28 -10.052 -7.766 -1.908
673 3HB ALA 28 3HB ALA 28 -11.652 -7.797 -1.169
674 H LYS 29 H LYS 29 -9.951 -5.637 0.695
675 HA LYS 29 HA LYS 29 -12.294 -5.801 2.265
676 1HB LYS 29 1HB LYS 29 -9.926 -6.271 3.024
677 2HB LYS 29 2HB LYS 29 -9.656 -4.535 3.038
678 1HG LYS 29 1HG LYS 29 -10.124 -5.137 5.258
679 2HG LYS 29 2HG LYS 29 -11.593 -4.371 4.643
680 1HD LYS 29 1HD LYS 29 -12.548 -6.588 4.202
681 2HD LYS 29 2HD LYS 29 -11.084 -7.338 4.837
682 1HE LYS 29 1HE LYS 29 -12.832 -7.338 6.521
683 2HE LYS 29 2HE LYS 29 -11.505 -6.290 7.015
684 1HZ LYS 29 1HZ LYS 29 -12.884 -4.426 6.016
685 2HZ LYS 29 2HZ LYS 29 -14.179 -5.515 6.022
686 3HZ LYS 29 3HZ LYS 29 -13.430 -5.084 7.477
687 H ILE 30 H ILE 30 -10.317 -3.101 1.125
688 HA ILE 30 HA ILE 30 -11.658 -1.035 2.437
689 HB ILE 30 HB ILE 30 -10.398 -0.884 -0.302
690 1HG1 ILE 30 1HG1 ILE 30 -9.155 -0.490 2.430
691 2HG1 ILE 30 2HG1 ILE 30 -8.867 -1.860 1.368
692 1HG2 ILE 30 1HG2 ILE 30 -11.812 1.041 0.359
693 2HG2 ILE 30 2HG2 ILE 30 -10.799 1.258 1.787
694 3HG2 ILE 30 3HG2 ILE 30 -10.111 1.468 0.176
695 1HD1 ILE 30 1HD1 ILE 30 -8.179 0.995 0.727
696 2HD1 ILE 30 2HD1 ILE 30 -7.049 -0.224 1.317
697 3HD1 ILE 30 3HD1 ILE 30 -7.816 -0.422 -0.259
698 H GLN 31 H GLN 31 -12.464 -2.884 -0.418
699 HA GLN 31 HA GLN 31 -14.452 -1.241 -1.526
700 1HB GLN 31 1HB GLN 31 -14.401 -4.269 -1.395
701 2HB GLN 31 2HB GLN 31 -15.369 -3.302 -2.499
702 1HG GLN 31 1HG GLN 31 -13.330 -2.457 -3.543
703 2HG GLN 31 2HG GLN 31 -12.366 -3.446 -2.444
704 1HE2 GLN 31 2HE2 GLN 31 -13.856 -3.301 -5.405
705 2HE2 GLN 31 1HE2 GLN 31 -13.803 -4.976 -5.825
706 H ASP 32 H ASP 32 -14.549 -3.812 0.873
707 HA ASP 32 HA ASP 32 -17.277 -3.643 1.502
708 1HB ASP 32 1HB ASP 32 -14.972 -4.500 3.263
709 2HB ASP 32 2HB ASP 32 -16.670 -4.821 3.586
710 H LYS 33 H LYS 33 -14.426 -1.992 2.618
711 HA LYS 33 HA LYS 33 -15.571 -0.572 4.772
712 1HB LYS 33 1HB LYS 33 -13.082 -0.283 3.125
713 2HB LYS 33 2HB LYS 33 -13.526 0.978 4.270
714 1HG LYS 33 1HG LYS 33 -13.117 -1.926 4.959
715 2HG LYS 33 2HG LYS 33 -11.929 -0.641 5.198
716 1HD LYS 33 1HD LYS 33 -13.518 0.516 6.687
717 2HD LYS 33 2HD LYS 33 -14.654 -0.817 6.483
718 1HE LYS 33 1HE LYS 33 -11.887 -1.022 7.661
719 2HE LYS 33 2HE LYS 33 -13.397 -1.015 8.572
720 1HZ LYS 33 1HZ LYS 33 -13.266 -3.004 6.484
721 2HZ LYS 33 2HZ LYS 33 -12.137 -3.227 7.723
722 3HZ LYS 33 3HZ LYS 33 -13.788 -3.147 8.087
723 H GLU 34 H GLU 34 -15.599 -0.100 1.345
724 HA GLU 34 HA GLU 34 -17.376 2.168 1.662
725 1HB GLU 34 1HB GLU 34 -15.172 3.239 1.595
726 2HB GLU 34 2HB GLU 34 -14.805 2.409 0.089
727 1HG GLU 34 1HG GLU 34 -15.415 4.681 -0.376
728 2HG GLU 34 2HG GLU 34 -16.663 3.602 -0.995
729 H GLY 35 H GLY 35 -15.528 1.398 -1.250
730 1HA GLY 35 1HA GLY 35 -17.984 0.963 -2.696
731 2HA GLY 35 2HA GLY 35 -17.038 -0.498 -2.479
732 H ILE 36 H ILE 36 -14.521 0.088 -2.958
733 HA ILE 36 HA ILE 36 -14.572 1.150 -5.693
734 HB ILE 36 HB ILE 36 -12.017 1.733 -4.810
735 1HG1 ILE 36 1HG1 ILE 36 -12.417 3.249 -2.861
736 2HG1 ILE 36 2HG1 ILE 36 -14.042 2.586 -2.726
737 1HG2 ILE 36 1HG2 ILE 36 -14.377 3.151 -5.738
738 2HG2 ILE 36 2HG2 ILE 36 -13.313 4.142 -4.740
739 3HG2 ILE 36 3HG2 ILE 36 -12.680 3.344 -6.180
740 1HD1 ILE 36 1HD1 ILE 36 -12.656 0.313 -2.639
741 2HD1 ILE 36 2HD1 ILE 36 -11.445 1.412 -1.977
742 3HD1 ILE 36 3HD1 ILE 36 -13.026 1.273 -1.205
743 HA PRO 37 HA PRO 37 -12.829 -2.800 -6.792
744 1HB PRO 37 1HB PRO 37 -11.578 -0.950 -8.791
745 2HB PRO 37 2HB PRO 37 -12.299 -2.544 -9.049
746 1HG PRO 37 1HG PRO 37 -13.669 -0.369 -9.667
747 2HG PRO 37 2HG PRO 37 -14.477 -1.721 -8.851
748 1HD PRO 37 1HD PRO 37 -13.626 0.915 -7.760
749 2HD PRO 37 2HD PRO 37 -15.009 -0.099 -7.311
750 HA PRO 38 HA PRO 38 -8.849 -2.683 -4.814
751 1HB PRO 38 1HB PRO 38 -7.748 -4.896 -6.033
752 2HB PRO 38 2HB PRO 38 -8.840 -4.958 -4.649
753 1HG PRO 38 1HG PRO 38 -9.436 -5.342 -7.553
754 2HG PRO 38 2HG PRO 38 -10.053 -6.239 -6.155
755 1HD PRO 38 1HD PRO 38 -11.533 -4.370 -7.383
756 2HD PRO 38 2HD PRO 38 -11.598 -4.593 -5.623
757 H ASP 39 H ASP 39 -9.055 -3.104 -8.317
758 HA ASP 39 HA ASP 39 -6.381 -2.519 -8.933
759 1HB ASP 39 1HB ASP 39 -8.860 -2.072 -10.608
760 2HB ASP 39 2HB ASP 39 -7.208 -2.066 -11.213
761 H GLN 40 H GLN 40 -9.204 -0.450 -8.487
762 HA GLN 40 HA GLN 40 -8.038 1.928 -9.425
763 1HB GLN 40 1HB GLN 40 -10.268 1.485 -7.439
764 2HB GLN 40 2HB GLN 40 -9.843 3.052 -8.112
765 1HG GLN 40 1HG GLN 40 -10.366 2.260 -10.345
766 2HG GLN 40 2HG GLN 40 -10.733 0.659 -9.707
767 1HE2 GLN 40 2HE2 GLN 40 -11.812 2.575 -7.362
768 2HE2 GLN 40 1HE2 GLN 40 -13.435 2.835 -7.883
769 H GLN 41 H GLN 41 -8.047 0.383 -6.269
770 HA GLN 41 HA GLN 41 -7.085 2.444 -4.684
771 1HB GLN 41 1HB GLN 41 -6.326 -0.473 -4.464
772 2HB GLN 41 2HB GLN 41 -6.277 0.722 -3.175
773 1HG GLN 41 1HG GLN 41 -8.748 -0.273 -4.573
774 2HG GLN 41 2HG GLN 41 -8.207 -0.734 -2.962
775 1HE2 GLN 41 2HE2 GLN 41 -9.149 0.279 -1.368
776 2HE2 GLN 41 1HE2 GLN 41 -9.864 1.851 -1.431
777 H ARG 42 H ARG 42 -5.196 3.490 -4.523
778 HA ARG 42 HA ARG 42 -3.004 2.619 -6.218
779 1HB ARG 42 1HB ARG 42 -3.469 5.247 -4.813
780 2HB ARG 42 2HB ARG 42 -2.091 4.891 -5.846
781 1HG ARG 42 1HG ARG 42 -3.589 4.578 -7.747
782 2HG ARG 42 2HG ARG 42 -4.974 4.926 -6.712
783 1HD ARG 42 1HD ARG 42 -4.085 7.161 -6.274
784 2HD ARG 42 2HD ARG 42 -2.700 6.815 -7.305
785 HE ARG 42 HE ARG 42 -5.025 6.393 -8.797
786 1HH1 ARG 42 1HH1 ARG 42 -3.287 9.011 -7.290
787 2HH1 ARG 42 2HH1 ARG 42 -3.840 10.200 -8.422
788 1HH2 ARG 42 1HH2 ARG 42 -5.757 7.953 -10.292
789 2HH2 ARG 42 2HH2 ARG 42 -5.244 9.598 -10.127
790 H LEU 43 H LEU 43 -1.236 1.677 -5.403
791 HA LEU 43 HA LEU 43 -0.971 1.387 -2.551
792 1HB LEU 43 1HB LEU 43 0.828 0.454 -4.785
793 2HB LEU 43 2HB LEU 43 1.024 0.032 -3.097
794 HG LEU 43 HG LEU 43 -1.228 -0.779 -4.930
795 1HD1 LEU 43 1HD1 LEU 43 -2.022 -0.183 -2.636
796 2HD1 LEU 43 2HD1 LEU 43 -2.268 -1.873 -3.078
797 3HD1 LEU 43 3HD1 LEU 43 -0.943 -1.426 -2.002
798 1HD2 LEU 43 1HD2 LEU 43 1.071 -2.184 -3.629
799 2HD2 LEU 43 2HD2 LEU 43 -0.389 -3.064 -4.081
800 3HD2 LEU 43 3HD2 LEU 43 0.550 -2.221 -5.313
801 H ILE 44 H ILE 44 0.344 2.435 -1.211
802 HA ILE 44 HA ILE 44 2.538 4.043 -2.269
803 HB ILE 44 HB ILE 44 0.388 5.186 -0.483
804 1HG1 ILE 44 1HG1 ILE 44 1.213 5.930 -3.299
805 2HG1 ILE 44 2HG1 ILE 44 -0.234 5.022 -2.875
806 1HG2 ILE 44 1HG2 ILE 44 2.925 5.824 -0.198
807 2HG2 ILE 44 2HG2 ILE 44 2.606 6.814 -1.622
808 3HG2 ILE 44 3HG2 ILE 44 1.667 7.059 -0.149
809 1HD1 ILE 44 1HD1 ILE 44 0.061 7.602 -1.516
810 2HD1 ILE 44 2HD1 ILE 44 -0.168 7.679 -3.264
811 3HD1 ILE 44 3HD1 ILE 44 -1.355 6.853 -2.253
812 H PHE 45 H PHE 45 4.295 3.924 -1.011
813 HA PHE 45 HA PHE 45 3.967 2.939 1.748
814 1HB PHE 45 1HB PHE 45 6.151 2.195 -0.214
815 2HB PHE 45 2HB PHE 45 6.071 1.673 1.465
816 HD1 PHE 45 HD1 PHE 45 3.925 1.656 -1.593
817 HD2 PHE 45 HD2 PHE 45 5.260 -0.427 1.868
818 HE1 PHE 45 HE1 PHE 45 2.608 -0.308 -2.273
819 HE2 PHE 45 HE2 PHE 45 3.947 -2.396 1.193
820 HZ PHE 45 HZ PHE 45 2.620 -2.338 -0.879
821 H ALA 46 H ALA 46 5.325 3.820 3.324
822 HA ALA 46 HA ALA 46 7.411 5.677 2.520
823 1HB ALA 46 1HB ALA 46 6.482 7.588 3.703
824 2HB ALA 46 2HB ALA 46 5.034 6.661 4.095
825 3HB ALA 46 3HB ALA 46 5.397 7.064 2.417
826 H GLY 47 H GLY 47 9.048 5.629 3.919
827 1HA GLY 47 1HA GLY 47 10.302 4.978 5.732
828 2HA GLY 47 2HA GLY 47 8.969 3.929 6.193
829 H LYS 48 H LYS 48 10.813 5.924 7.622
830 HA LYS 48 HA LYS 48 8.680 7.115 9.240
831 1HB LYS 48 1HB LYS 48 10.300 5.661 10.388
832 2HB LYS 48 2HB LYS 48 11.609 6.713 9.870
833 1HG LYS 48 1HG LYS 48 11.046 7.152 12.174
834 2HG LYS 48 2HG LYS 48 10.639 8.549 11.176
835 1HD LYS 48 1HD LYS 48 8.295 7.842 11.145
836 2HD LYS 48 2HD LYS 48 8.703 6.449 12.149
837 1HE LYS 48 1HE LYS 48 9.011 9.346 12.923
838 2HE LYS 48 2HE LYS 48 7.753 8.251 13.490
839 1HZ LYS 48 1HZ LYS 48 9.674 6.832 14.327
840 2HZ LYS 48 2HZ LYS 48 10.641 8.203 14.107
841 3HZ LYS 48 3HZ LYS 48 9.333 8.254 15.178
842 H GLN 49 H GLN 49 8.355 8.757 7.577
843 HA GLN 49 HA GLN 49 10.357 10.714 7.082
844 1HB GLN 49 1HB GLN 49 7.343 10.842 6.831
845 2HB GLN 49 2HB GLN 49 8.433 12.104 6.279
846 1HG GLN 49 1HG GLN 49 7.733 10.718 4.432
847 2HG GLN 49 2HG GLN 49 9.462 10.534 4.719
848 1HE2 GLN 49 2HE2 GLN 49 10.138 8.547 4.517
849 2HE2 GLN 49 1HE2 GLN 49 9.249 7.116 4.895
850 H LEU 50 H LEU 50 11.181 11.934 8.632
851 HA LEU 50 HA LEU 50 10.233 12.270 11.190
852 1HB LEU 50 1HB LEU 50 12.008 14.056 9.542
853 2HB LEU 50 2HB LEU 50 11.679 14.359 11.234
854 HG LEU 50 HG LEU 50 13.822 13.249 10.979
855 1HD1 LEU 50 1HD1 LEU 50 13.228 12.090 8.836
856 2HD1 LEU 50 2HD1 LEU 50 14.100 11.100 10.007
857 3HD1 LEU 50 3HD1 LEU 50 12.360 10.898 9.803
858 1HD2 LEU 50 1HD2 LEU 50 11.658 12.278 12.560
859 2HD2 LEU 50 2HD2 LEU 50 12.693 10.924 12.104
860 3HD2 LEU 50 3HD2 LEU 50 13.380 12.319 12.938
861 H GLU 51 H GLU 51 7.955 12.607 10.927
862 HA GLU 51 HA GLU 51 6.816 14.861 9.700
863 1HB GLU 51 1HB GLU 51 4.832 14.374 11.079
864 2HB GLU 51 2HB GLU 51 5.481 12.929 10.320
865 1HG GLU 51 1HG GLU 51 6.565 12.309 12.418
866 2HG GLU 51 2HG GLU 51 5.913 13.757 13.180
No H/Q in entry = 866
Start of MODEL 12
1 H1 GLY -1 H1 GLY -1 4.095 -8.285 -15.349
2 H2 GLY -1 H2 GLY -1 2.664 -8.837 -16.064
3 H3 GLY -1 H3 GLY -1 3.910 -8.226 -17.030
4 1HA GLY -1 1HA GLY -1 1.969 -6.689 -16.650
5 2HA GLY -1 2HA GLY -1 3.570 -6.036 -16.338
6 H SER 0 H SER 0 4.170 -7.082 -13.889
7 HA SER 0 HA SER 0 2.170 -6.976 -11.945
8 1HB SER 0 1HB SER 0 5.103 -6.277 -11.676
9 2HB SER 0 2HB SER 0 4.010 -6.611 -10.336
10 HG SER 0 HG SER 0 5.158 -8.475 -10.869
11 H MET 1 H MET 1 1.321 -5.360 -10.691
12 HA MET 1 HA MET 1 1.286 -2.739 -11.804
13 1HB MET 1 1HB MET 1 -0.132 -2.214 -9.794
14 2HB MET 1 2HB MET 1 -0.720 -3.536 -10.789
15 1HG MET 1 1HG MET 1 0.149 -5.154 -9.219
16 2HG MET 1 2HG MET 1 0.848 -3.864 -8.242
17 1HE MET 1 1HE MET 1 -0.597 -1.801 -7.895
18 2HE MET 1 2HE MET 1 -2.338 -1.794 -7.615
19 3HE MET 1 3HE MET 1 -1.241 -2.295 -6.328
20 H GLN 2 H GLN 2 2.805 -1.258 -11.526
21 HA GLN 2 HA GLN 2 4.804 -1.474 -9.520
22 1HB GLN 2 1HB GLN 2 5.626 0.657 -10.425
23 2HB GLN 2 2HB GLN 2 5.306 -0.515 -11.694
24 1HG GLN 2 1HG GLN 2 3.128 0.597 -12.092
25 2HG GLN 2 2HG GLN 2 3.590 1.829 -10.923
26 1HE2 GLN 2 2HE2 GLN 2 6.350 0.855 -12.439
27 2HE2 GLN 2 1HE2 GLN 2 6.429 2.052 -13.681
28 H ILE 3 H ILE 3 4.734 -0.824 -7.513
29 HA ILE 3 HA ILE 3 2.528 0.766 -6.541
30 HB ILE 3 HB ILE 3 3.421 0.281 -4.308
31 1HG1 ILE 3 1HG1 ILE 3 5.587 -1.239 -5.772
32 2HG1 ILE 3 2HG1 ILE 3 5.820 0.275 -4.905
33 1HG2 ILE 3 1HG2 ILE 3 2.021 -1.348 -5.781
34 2HG2 ILE 3 2HG2 ILE 3 3.492 -2.321 -5.760
35 3HG2 ILE 3 3HG2 ILE 3 2.692 -1.898 -4.246
36 1HD1 ILE 3 1HD1 ILE 3 4.571 -1.551 -3.138
37 2HD1 ILE 3 2HD1 ILE 3 5.931 -2.370 -3.909
38 3HD1 ILE 3 3HD1 ILE 3 6.190 -0.854 -3.045
39 H PHE 4 H PHE 4 2.666 2.747 -5.540
40 HA PHE 4 HA PHE 4 4.998 4.338 -6.247
41 1HB PHE 4 1HB PHE 4 2.320 5.109 -5.067
42 2HB PHE 4 2HB PHE 4 3.604 6.254 -5.431
43 HD1 PHE 4 HD1 PHE 4 3.130 7.513 -7.272
44 HD2 PHE 4 HD2 PHE 4 2.050 3.397 -7.279
45 HE1 PHE 4 HE1 PHE 4 2.283 7.743 -9.571
46 HE2 PHE 4 HE2 PHE 4 1.203 3.620 -9.578
47 HZ PHE 4 HZ PHE 4 1.319 5.794 -10.727
48 H VAL 5 H VAL 5 6.461 5.124 -4.816
49 HA VAL 5 HA VAL 5 5.914 4.979 -1.954
50 HB VAL 5 HB VAL 5 8.309 3.593 -3.176
51 1HG1 VAL 5 1HG1 VAL 5 7.910 4.699 -0.599
52 2HG1 VAL 5 2HG1 VAL 5 7.895 2.943 -0.441
53 3HG1 VAL 5 3HG1 VAL 5 9.274 3.750 -1.187
54 1HG2 VAL 5 1HG2 VAL 5 6.264 2.302 -3.496
55 2HG2 VAL 5 2HG2 VAL 5 7.327 1.525 -2.322
56 3HG2 VAL 5 3HG2 VAL 5 5.911 2.422 -1.771
57 H LYS 6 H LYS 6 6.821 6.627 -0.875
58 HA LYS 6 HA LYS 6 8.611 8.400 -2.364
59 1HB LYS 6 1HB LYS 6 6.997 8.840 0.151
60 2HB LYS 6 2HB LYS 6 8.089 10.033 -0.537
61 1HG LYS 6 1HG LYS 6 6.750 10.062 -2.589
62 2HG LYS 6 2HG LYS 6 5.640 8.894 -1.865
63 1HD LYS 6 1HD LYS 6 5.074 10.472 -0.115
64 2HD LYS 6 2HD LYS 6 6.248 11.628 -0.746
65 1HE LYS 6 1HE LYS 6 4.984 11.788 -2.826
66 2HE LYS 6 2HE LYS 6 3.816 10.616 -2.213
67 1HZ LYS 6 1HZ LYS 6 4.056 12.660 -0.326
68 2HZ LYS 6 2HZ LYS 6 3.852 13.392 -1.839
69 3HZ LYS 6 3HZ LYS 6 2.714 12.273 -1.280
70 H THR 7 H THR 7 10.706 8.531 -1.902
71 HA THR 7 HA THR 7 11.898 6.864 0.051
72 HB THR 7 HB THR 7 13.117 9.162 -1.499
73 HG1 THR 7 HG1 THR 7 13.488 6.410 -2.032
74 1HG2 THR 7 1HG2 THR 7 14.187 7.333 0.523
75 2HG2 THR 7 2HG2 THR 7 15.129 7.392 -0.967
76 3HG2 THR 7 3HG2 THR 7 14.818 8.872 -0.059
77 H LEU 8 H LEU 8 13.051 7.443 1.913
78 HA LEU 8 HA LEU 8 11.845 9.044 3.755
79 1HB LEU 8 1HB LEU 8 14.749 8.305 3.470
80 2HB LEU 8 2HB LEU 8 14.131 9.162 4.865
81 HG LEU 8 HG LEU 8 12.822 7.292 5.552
82 1HD1 LEU 8 1HD1 LEU 8 13.471 6.149 2.854
83 2HD1 LEU 8 2HD1 LEU 8 12.921 5.149 4.201
84 3HD1 LEU 8 3HD1 LEU 8 11.888 6.435 3.576
85 1HD2 LEU 8 1HD2 LEU 8 15.620 7.183 5.190
86 2HD2 LEU 8 2HD2 LEU 8 14.643 6.397 6.430
87 3HD2 LEU 8 3HD2 LEU 8 14.980 5.563 4.914
88 H THR 9 H THR 9 14.488 9.958 1.575
89 HA THR 9 HA THR 9 14.626 12.650 2.538
90 HB THR 9 HB THR 9 16.132 13.050 0.631
91 HG1 THR 9 HG1 THR 9 16.584 10.793 -0.447
92 1HG2 THR 9 1HG2 THR 9 16.620 11.505 2.828
93 2HG2 THR 9 2HG2 THR 9 17.143 10.443 1.521
94 3HG2 THR 9 3HG2 THR 9 17.849 12.050 1.687
95 H GLY 10 H GLY 10 13.271 11.108 -0.376
96 1HA GLY 10 1HA GLY 10 12.227 13.641 -1.326
97 2HA GLY 10 2HA GLY 10 11.011 12.543 -0.691
98 H LYS 11 H LYS 11 13.871 11.435 -2.372
99 HA LYS 11 HA LYS 11 13.162 11.389 -4.990
100 1HB LYS 11 1HB LYS 11 15.294 10.533 -4.157
101 2HB LYS 11 2HB LYS 11 14.480 9.139 -3.460
102 1HG LYS 11 1HG LYS 11 13.803 8.437 -5.724
103 2HG LYS 11 2HG LYS 11 14.707 9.799 -6.389
104 1HD LYS 11 1HD LYS 11 15.876 7.562 -4.736
105 2HD LYS 11 2HD LYS 11 15.988 7.704 -6.491
106 1HE LYS 11 1HE LYS 11 17.100 9.660 -4.482
107 2HE LYS 11 2HE LYS 11 18.034 8.477 -5.397
108 1HZ LYS 11 1HZ LYS 11 16.942 9.677 -7.415
109 2HZ LYS 11 2HZ LYS 11 16.762 10.956 -6.322
110 3HZ LYS 11 3HZ LYS 11 18.303 10.346 -6.662
111 H THR 12 H THR 12 11.695 10.439 -6.259
112 HA THR 12 HA THR 12 9.545 8.956 -5.093
113 HB THR 12 HB THR 12 10.138 9.485 -8.011
114 HG1 THR 12 HG1 THR 12 8.133 10.843 -6.614
115 1HG2 THR 12 1HG2 THR 12 7.624 8.561 -6.616
116 2HG2 THR 12 2HG2 THR 12 7.706 9.074 -8.302
117 3HG2 THR 12 3HG2 THR 12 8.590 7.644 -7.771
118 H ILE 13 H ILE 13 9.033 6.798 -5.303
119 HA ILE 13 HA ILE 13 11.019 5.101 -6.667
120 HB ILE 13 HB ILE 13 9.665 3.973 -4.281
121 1HG1 ILE 13 1HG1 ILE 13 12.025 5.855 -4.058
122 2HG1 ILE 13 2HG1 ILE 13 10.400 6.186 -3.468
123 1HG2 ILE 13 1HG2 ILE 13 12.385 3.742 -5.541
124 2HG2 ILE 13 2HG2 ILE 13 11.933 2.932 -4.041
125 3HG2 ILE 13 3HG2 ILE 13 11.087 2.547 -5.541
126 1HD1 ILE 13 1HD1 ILE 13 12.082 3.885 -2.516
127 2HD1 ILE 13 2HD1 ILE 13 12.015 5.459 -1.721
128 3HD1 ILE 13 3HD1 ILE 13 10.562 4.464 -1.833
129 H THR 14 H THR 14 10.237 3.411 -7.820
130 HA THR 14 HA THR 14 7.362 2.806 -7.674
131 HB THR 14 HB THR 14 8.821 2.993 -10.311
132 HG1 THR 14 HG1 THR 14 8.163 5.032 -8.785
133 1HG2 THR 14 1HG2 THR 14 6.528 1.731 -9.736
134 2HG2 THR 14 2HG2 THR 14 5.898 3.353 -10.022
135 3HG2 THR 14 3HG2 THR 14 6.819 2.530 -11.281
136 H LEU 15 H LEU 15 6.854 0.639 -8.014
137 HA LEU 15 HA LEU 15 8.934 -1.205 -8.859
138 1HB LEU 15 1HB LEU 15 9.537 -0.872 -6.573
139 2HB LEU 15 2HB LEU 15 7.880 -1.058 -6.044
140 HG LEU 15 HG LEU 15 8.209 -3.476 -7.106
141 1HD1 LEU 15 1HD1 LEU 15 7.699 -2.694 -4.710
142 2HD1 LEU 15 2HD1 LEU 15 8.452 -4.276 -4.925
143 3HD1 LEU 15 3HD1 LEU 15 9.429 -2.895 -4.428
144 1HD2 LEU 15 1HD2 LEU 15 10.518 -2.877 -7.845
145 2HD2 LEU 15 2HD2 LEU 15 10.968 -2.751 -6.146
146 3HD2 LEU 15 3HD2 LEU 15 10.435 -4.297 -6.801
147 H GLU 16 H GLU 16 7.866 -2.539 -10.208
148 HA GLU 16 HA GLU 16 5.057 -3.005 -10.022
149 1HB GLU 16 1HB GLU 16 5.381 -4.538 -11.903
150 2HB GLU 16 2HB GLU 16 6.206 -3.013 -12.184
151 1HG GLU 16 1HG GLU 16 8.329 -4.037 -11.555
152 2HG GLU 16 2HG GLU 16 7.504 -5.567 -11.263
153 H VAL 17 H VAL 17 3.977 -4.569 -9.006
154 HA VAL 17 HA VAL 17 5.262 -7.056 -8.247
155 HB VAL 17 HB VAL 17 4.539 -6.849 -5.861
156 1HG1 VAL 17 1HG1 VAL 17 6.885 -6.477 -6.619
157 2HG1 VAL 17 2HG1 VAL 17 6.541 -4.748 -6.657
158 3HG1 VAL 17 3HG1 VAL 17 6.460 -5.631 -5.132
159 1HG2 VAL 17 1HG2 VAL 17 3.113 -4.715 -6.649
160 2HG2 VAL 17 2HG2 VAL 17 3.623 -4.987 -4.983
161 3HG2 VAL 17 3HG2 VAL 17 4.551 -3.911 -6.026
162 H GLU 18 H GLU 18 3.836 -8.720 -8.087
163 HA GLU 18 HA GLU 18 1.222 -8.342 -9.119
164 1HB GLU 18 1HB GLU 18 2.380 -10.787 -7.771
165 2HB GLU 18 2HB GLU 18 0.950 -10.743 -8.792
166 1HG GLU 18 1HG GLU 18 2.325 -10.071 -10.694
167 2HG GLU 18 2HG GLU 18 3.758 -10.113 -9.670
168 HA PRO 19 HA PRO 19 -1.197 -7.337 -5.559
169 1HB PRO 19 1HB PRO 19 -3.408 -8.913 -6.217
170 2HB PRO 19 2HB PRO 19 -3.141 -7.248 -6.722
171 1HG PRO 19 1HG PRO 19 -2.652 -9.777 -8.210
172 2HG PRO 19 2HG PRO 19 -3.220 -8.212 -8.813
173 1HD PRO 19 1HD PRO 19 -0.703 -9.021 -9.213
174 2HD PRO 19 2HD PRO 19 -1.078 -7.319 -8.877
175 H SER 20 H SER 20 -0.995 -10.691 -6.605
176 HA SER 20 HA SER 20 -1.909 -11.884 -4.232
177 1HB SER 20 1HB SER 20 -1.812 -13.072 -6.364
178 2HB SER 20 2HB SER 20 -0.054 -12.973 -6.357
179 HG SER 20 HG SER 20 -1.692 -14.366 -4.506
180 H ASP 21 H ASP 21 1.239 -10.714 -5.225
181 HA ASP 21 HA ASP 21 2.857 -12.013 -3.373
182 1HB ASP 21 1HB ASP 21 3.089 -9.266 -4.607
183 2HB ASP 21 2HB ASP 21 4.341 -9.973 -3.594
184 H THR 22 H THR 22 3.217 -11.814 -1.255
185 HA THR 22 HA THR 22 1.398 -10.515 0.422
186 HB THR 22 HB THR 22 2.985 -11.015 2.259
187 HG1 THR 22 HG1 THR 22 4.769 -12.493 0.991
188 1HG2 THR 22 1HG2 THR 22 1.402 -12.714 1.289
189 2HG2 THR 22 2HG2 THR 22 2.760 -13.340 0.354
190 3HG2 THR 22 3HG2 THR 22 2.806 -13.387 2.116
191 H ILE 23 H ILE 23 1.540 -8.705 1.730
192 HA ILE 23 HA ILE 23 2.623 -6.390 0.646
193 HB ILE 23 HB ILE 23 1.949 -6.903 3.549
194 1HG1 ILE 23 1HG1 ILE 23 0.282 -5.761 1.292
195 2HG1 ILE 23 2HG1 ILE 23 0.061 -7.340 2.039
196 1HG2 ILE 23 1HG2 ILE 23 3.146 -4.657 2.295
197 2HG2 ILE 23 2HG2 ILE 23 1.506 -4.212 2.766
198 3HG2 ILE 23 3HG2 ILE 23 2.630 -4.837 3.972
199 1HD1 ILE 23 1HD1 ILE 23 -0.155 -4.763 3.568
200 2HD1 ILE 23 2HD1 ILE 23 -1.527 -5.546 2.779
201 3HD1 ILE 23 3HD1 ILE 23 -0.662 -6.376 4.073
202 H GLU 24 H GLU 24 3.979 -8.626 3.001
203 HA GLU 24 HA GLU 24 6.214 -7.038 3.720
204 1HB GLU 24 1HB GLU 24 7.136 -9.123 4.645
205 2HB GLU 24 2HB GLU 24 5.463 -8.880 5.125
206 1HG GLU 24 1HG GLU 24 4.737 -10.464 3.418
207 2HG GLU 24 2HG GLU 24 6.412 -10.704 2.928
208 H ASN 25 H ASN 25 5.587 -9.287 1.115
209 HA ASN 25 HA ASN 25 8.281 -9.643 0.303
210 1HB ASN 25 1HB ASN 25 6.421 -11.177 -0.313
211 2HB ASN 25 2HB ASN 25 5.770 -9.919 -1.359
212 1HD2 ASN 25 2HD2 ASN 25 6.097 -10.535 -3.369
213 2HD2 ASN 25 1HD2 ASN 25 7.585 -11.124 -4.020
214 H VAL 26 H VAL 26 5.680 -7.515 -0.860
215 HA VAL 26 HA VAL 26 7.123 -6.312 -2.930
216 HB VAL 26 HB VAL 26 5.488 -4.534 -2.882
217 1HG1 VAL 26 1HG1 VAL 26 4.967 -7.112 -3.418
218 2HG1 VAL 26 2HG1 VAL 26 3.737 -6.794 -2.195
219 3HG1 VAL 26 3HG1 VAL 26 3.802 -5.808 -3.656
220 1HG2 VAL 26 1HG2 VAL 26 5.415 -5.015 -0.124
221 2HG2 VAL 26 2HG2 VAL 26 4.513 -3.802 -1.033
222 3HG2 VAL 26 3HG2 VAL 26 3.804 -5.389 -0.736
223 H LYS 27 H LYS 27 6.879 -5.516 0.496
224 HA LYS 27 HA LYS 27 8.295 -3.066 0.376
225 1HB LYS 27 1HB LYS 27 7.891 -4.997 2.664
226 2HB LYS 27 2HB LYS 27 8.584 -3.389 2.830
227 1HG LYS 27 1HG LYS 27 6.497 -2.400 2.052
228 2HG LYS 27 2HG LYS 27 5.800 -4.010 1.870
229 1HD LYS 27 1HD LYS 27 6.046 -4.412 4.252
230 2HD LYS 27 2HD LYS 27 6.820 -2.841 4.456
231 1HE LYS 27 1HE LYS 27 4.774 -1.731 3.730
232 2HE LYS 27 2HE LYS 27 3.999 -3.297 3.498
233 1HZ LYS 27 1HZ LYS 27 5.130 -2.891 6.124
234 2HZ LYS 27 2HZ LYS 27 3.853 -1.848 5.749
235 3HZ LYS 27 3HZ LYS 27 3.627 -3.523 5.679
236 H ALA 28 H ALA 28 9.283 -6.410 0.883
237 HA ALA 28 HA ALA 28 11.870 -6.110 1.748
238 1HB ALA 28 1HB ALA 28 12.314 -8.258 0.445
239 2HB ALA 28 2HB ALA 28 10.628 -8.156 -0.062
240 3HB ALA 28 3HB ALA 28 11.027 -8.291 1.651
241 H LYS 29 H LYS 29 10.645 -5.799 -1.550
242 HA LYS 29 HA LYS 29 13.180 -5.571 -2.807
243 1HB LYS 29 1HB LYS 29 10.601 -4.348 -3.795
244 2HB LYS 29 2HB LYS 29 11.973 -4.888 -4.750
245 1HG LYS 29 1HG LYS 29 11.486 -7.208 -4.115
246 2HG LYS 29 2HG LYS 29 10.088 -6.643 -3.199
247 1HD LYS 29 1HD LYS 29 9.091 -5.765 -5.243
248 2HD LYS 29 2HD LYS 29 10.502 -6.282 -6.166
249 1HE LYS 29 1HE LYS 29 10.033 -8.612 -5.557
250 2HE LYS 29 2HE LYS 29 8.610 -8.085 -4.662
251 1HZ LYS 29 1HZ LYS 29 8.283 -6.991 -7.136
252 2HZ LYS 29 2HZ LYS 29 8.930 -8.517 -7.469
253 3HZ LYS 29 3HZ LYS 29 7.513 -8.382 -6.556
254 H ILE 30 H ILE 30 10.861 -3.283 -1.481
255 HA ILE 30 HA ILE 30 12.009 -0.891 -2.297
256 HB ILE 30 HB ILE 30 10.611 -1.473 0.317
257 1HG1 ILE 30 1HG1 ILE 30 9.524 -0.447 -2.315
258 2HG1 ILE 30 2HG1 ILE 30 9.281 -2.066 -1.673
259 1HG2 ILE 30 1HG2 ILE 30 11.151 1.137 -1.101
260 2HG2 ILE 30 2HG2 ILE 30 10.090 0.950 0.297
261 3HG2 ILE 30 3HG2 ILE 30 11.814 0.616 0.450
262 1HD1 ILE 30 1HD1 ILE 30 8.111 -1.062 0.265
263 2HD1 ILE 30 2HD1 ILE 30 8.252 0.511 -0.520
264 3HD1 ILE 30 3HD1 ILE 30 7.314 -0.775 -1.281
265 H GLN 31 H GLN 31 12.835 -3.029 0.378
266 HA GLN 31 HA GLN 31 14.659 -1.326 1.693
267 1HB GLN 31 1HB GLN 31 14.668 -4.350 1.543
268 2HB GLN 31 2HB GLN 31 15.530 -3.377 2.726
269 1HG GLN 31 1HG GLN 31 13.415 -2.573 3.620
270 2HG GLN 31 2HG GLN 31 12.540 -3.517 2.417
271 1HE2 GLN 31 2HE2 GLN 31 11.744 -5.332 3.169
272 2HE2 GLN 31 1HE2 GLN 31 12.418 -6.303 4.428
273 H ASP 32 H ASP 32 15.023 -3.771 -0.829
274 HA ASP 32 HA ASP 32 17.823 -3.506 -1.114
275 1HB ASP 32 1HB ASP 32 16.583 -5.475 -1.929
276 2HB ASP 32 2HB ASP 32 15.773 -4.462 -3.121
277 H LYS 33 H LYS 33 15.058 -1.892 -2.434
278 HA LYS 33 HA LYS 33 16.383 -0.489 -4.511
279 1HB LYS 33 1HB LYS 33 13.724 -0.082 -3.148
280 2HB LYS 33 2HB LYS 33 14.266 0.884 -4.518
281 1HG LYS 33 1HG LYS 33 14.435 -1.170 -5.863
282 2HG LYS 33 2HG LYS 33 13.832 -2.096 -4.491
283 1HD LYS 33 1HD LYS 33 12.008 -1.676 -5.992
284 2HD LYS 33 2HD LYS 33 11.769 -0.711 -4.534
285 1HE LYS 33 1HE LYS 33 11.267 0.587 -6.533
286 2HE LYS 33 2HE LYS 33 12.660 1.251 -5.679
287 1HZ LYS 33 1HZ LYS 33 13.656 -0.581 -7.497
288 2HZ LYS 33 2HZ LYS 33 12.492 0.312 -8.339
289 3HZ LYS 33 3HZ LYS 33 13.774 1.105 -7.571
290 H GLU 34 H GLU 34 15.794 0.189 -1.118
291 HA GLU 34 HA GLU 34 17.417 2.618 -1.421
292 1HB GLU 34 1HB GLU 34 14.868 2.426 0.187
293 2HB GLU 34 2HB GLU 34 15.968 3.793 0.206
294 1HG GLU 34 1HG GLU 34 14.485 2.798 -2.215
295 2HG GLU 34 2HG GLU 34 14.002 4.165 -1.216
296 H GLY 35 H GLY 35 15.847 0.668 1.147
297 1HA GLY 35 1HA GLY 35 18.440 0.744 2.566
298 2HA GLY 35 2HA GLY 35 17.436 -0.694 2.509
299 H ILE 36 H ILE 36 15.002 0.003 3.191
300 HA ILE 36 HA ILE 36 15.323 0.972 5.908
301 HB ILE 36 HB ILE 36 12.915 2.112 5.261
302 1HG1 ILE 36 1HG1 ILE 36 13.458 3.590 3.298
303 2HG1 ILE 36 2HG1 ILE 36 14.839 2.553 2.968
304 1HG2 ILE 36 1HG2 ILE 36 15.552 2.928 6.050
305 2HG2 ILE 36 2HG2 ILE 36 14.809 4.148 5.017
306 3HG2 ILE 36 3HG2 ILE 36 13.985 3.614 6.482
307 1HD1 ILE 36 1HD1 ILE 36 12.768 0.768 3.116
308 2HD1 ILE 36 2HD1 ILE 36 12.034 2.176 2.349
309 3HD1 ILE 36 3HD1 ILE 36 13.467 1.431 1.638
310 HA PRO 37 HA PRO 37 13.024 -2.640 7.004
311 1HB PRO 37 1HB PRO 37 11.817 -0.629 8.871
312 2HB PRO 37 2HB PRO 37 12.345 -2.283 9.202
313 1HG PRO 37 1HG PRO 37 13.884 -0.217 9.863
314 2HG PRO 37 2HG PRO 37 14.596 -1.699 9.200
315 1HD PRO 37 1HD PRO 37 14.248 0.957 7.935
316 2HD PRO 37 2HD PRO 37 15.446 -0.304 7.601
317 HA PRO 38 HA PRO 38 9.278 -2.227 4.651
318 1HB PRO 38 1HB PRO 38 8.017 -4.463 5.664
319 2HB PRO 38 2HB PRO 38 9.199 -4.481 4.355
320 1HG PRO 38 1HG PRO 38 9.572 -5.081 7.255
321 2HG PRO 38 2HG PRO 38 10.282 -5.880 5.841
322 1HD PRO 38 1HD PRO 38 11.679 -4.136 7.337
323 2HD PRO 38 2HD PRO 38 11.905 -4.255 5.580
324 H ASP 39 H ASP 39 9.134 -2.855 8.131
325 HA ASP 39 HA ASP 39 6.443 -2.261 8.564
326 1HB ASP 39 1HB ASP 39 7.939 -3.302 10.242
327 2HB ASP 39 2HB ASP 39 8.772 -1.765 10.434
328 H GLN 40 H GLN 40 9.257 -0.169 8.314
329 HA GLN 40 HA GLN 40 8.130 2.204 9.241
330 1HB GLN 40 1HB GLN 40 10.281 1.730 7.183
331 2HB GLN 40 2HB GLN 40 9.887 3.313 7.835
332 1HG GLN 40 1HG GLN 40 10.650 2.750 9.971
333 2HG GLN 40 2HG GLN 40 10.639 1.025 9.615
334 1HE2 GLN 40 2HE2 GLN 40 11.791 2.213 6.891
335 2HE2 GLN 40 1HE2 GLN 40 13.485 2.232 7.219
336 H GLN 41 H GLN 41 8.223 0.871 5.946
337 HA GLN 41 HA GLN 41 7.086 3.002 4.585
338 1HB GLN 41 1HB GLN 41 6.894 0.032 4.101
339 2HB GLN 41 2HB GLN 41 6.200 1.212 2.999
340 1HG GLN 41 1HG GLN 41 8.341 0.496 2.184
341 2HG GLN 41 2HG GLN 41 8.426 2.187 2.664
342 1HE2 GLN 41 2HE2 GLN 41 9.885 -0.790 2.878
343 2HE2 GLN 41 1HE2 GLN 41 10.951 -0.475 4.199
344 H ARG 42 H ARG 42 5.162 3.951 4.668
345 HA ARG 42 HA ARG 42 3.055 2.720 6.215
346 1HB ARG 42 1HB ARG 42 3.635 5.041 6.695
347 2HB ARG 42 2HB ARG 42 3.269 5.487 5.036
348 1HG ARG 42 1HG ARG 42 0.929 4.882 5.387
349 2HG ARG 42 2HG ARG 42 1.297 4.431 7.051
350 1HD ARG 42 1HD ARG 42 1.616 7.177 5.847
351 2HD ARG 42 2HD ARG 42 0.321 6.667 6.930
352 HE ARG 42 HE ARG 42 2.768 6.174 8.191
353 1HH1 ARG 42 1HH1 ARG 42 0.826 8.867 7.132
354 2HH1 ARG 42 2HH1 ARG 42 1.423 9.943 8.352
355 1HH2 ARG 42 1HH2 ARG 42 3.558 7.584 9.800
356 2HH2 ARG 42 2HH2 ARG 42 2.975 9.213 9.868
357 H LEU 43 H LEU 43 1.395 1.671 5.334
358 HA LEU 43 HA LEU 43 1.084 1.530 2.495
359 1HB LEU 43 1HB LEU 43 -0.420 0.367 4.817
360 2HB LEU 43 2HB LEU 43 -1.039 0.223 3.185
361 HG LEU 43 HG LEU 43 0.983 -0.972 2.506
362 1HD1 LEU 43 1HD1 LEU 43 1.829 -0.302 5.283
363 2HD1 LEU 43 2HD1 LEU 43 2.406 -1.794 4.538
364 3HD1 LEU 43 3HD1 LEU 43 2.747 -0.237 3.779
365 1HD2 LEU 43 1HD2 LEU 43 -0.932 -2.235 3.347
366 2HD2 LEU 43 2HD2 LEU 43 0.595 -3.034 3.723
367 3HD2 LEU 43 3HD2 LEU 43 -0.270 -2.147 4.979
368 H ILE 44 H ILE 44 -0.254 2.595 1.190
369 HA ILE 44 HA ILE 44 -2.492 4.099 2.310
370 HB ILE 44 HB ILE 44 -0.366 5.367 0.583
371 1HG1 ILE 44 1HG1 ILE 44 -1.224 5.985 3.418
372 2HG1 ILE 44 2HG1 ILE 44 0.227 5.087 2.984
373 1HG2 ILE 44 1HG2 ILE 44 -3.008 6.410 1.585
374 2HG2 ILE 44 2HG2 ILE 44 -1.729 7.440 0.940
375 3HG2 ILE 44 3HG2 ILE 44 -2.485 6.224 -0.090
376 1HD1 ILE 44 1HD1 ILE 44 0.212 7.554 1.569
377 2HD1 ILE 44 2HD1 ILE 44 -0.078 7.859 3.282
378 3HD1 ILE 44 3HD1 ILE 44 1.355 6.964 2.776
379 H PHE 45 H PHE 45 -4.242 4.110 1.011
380 HA PHE 45 HA PHE 45 -3.906 3.241 -1.782
381 1HB PHE 45 1HB PHE 45 -6.047 2.330 0.154
382 2HB PHE 45 2HB PHE 45 -6.021 1.953 -1.565
383 HD1 PHE 45 HD1 PHE 45 -3.818 1.670 1.437
384 HD2 PHE 45 HD2 PHE 45 -5.165 -0.069 -2.206
385 HE1 PHE 45 HE1 PHE 45 -2.464 -0.333 1.897
386 HE2 PHE 45 HE2 PHE 45 -3.815 -2.075 -1.752
387 HZ PHE 45 HZ PHE 45 -2.463 -2.209 0.303
388 H ALA 46 H ALA 46 -5.300 4.160 -3.300
389 HA ALA 46 HA ALA 46 -7.403 5.955 -2.400
390 1HB ALA 46 1HB ALA 46 -6.056 7.742 -2.361
391 2HB ALA 46 2HB ALA 46 -4.781 6.922 -3.264
392 3HB ALA 46 3HB ALA 46 -6.136 7.656 -4.121
393 H GLY 47 H GLY 47 -9.056 5.922 -3.776
394 1HA GLY 47 1HA GLY 47 -10.310 5.523 -5.654
395 2HA GLY 47 2HA GLY 47 -9.153 4.251 -6.001
396 H LYS 48 H LYS 48 -8.870 4.474 -8.138
397 HA LYS 48 HA LYS 48 -7.261 6.620 -9.109
398 1HB LYS 48 1HB LYS 48 -7.098 4.290 -9.943
399 2HB LYS 48 2HB LYS 48 -8.692 4.462 -10.661
400 1HG LYS 48 1HG LYS 48 -6.983 4.742 -12.341
401 2HG LYS 48 2HG LYS 48 -7.842 6.262 -12.094
402 1HD LYS 48 1HD LYS 48 -6.021 7.061 -10.669
403 2HD LYS 48 2HD LYS 48 -5.163 5.539 -10.907
404 1HE LYS 48 1HE LYS 48 -4.278 7.283 -12.363
405 2HE LYS 48 2HE LYS 48 -5.016 5.983 -13.300
406 1HZ LYS 48 1HZ LYS 48 -6.687 8.278 -12.597
407 2HZ LYS 48 2HZ LYS 48 -5.521 8.498 -13.802
408 3HZ LYS 48 3HZ LYS 48 -6.711 7.309 -13.984
409 H GLN 49 H GLN 49 -8.748 8.346 -8.473
410 HA GLN 49 HA GLN 49 -11.194 8.732 -9.858
411 1HB GLN 49 1HB GLN 49 -9.345 10.757 -8.574
412 2HB GLN 49 2HB GLN 49 -10.984 11.087 -9.110
413 1HG GLN 49 1HG GLN 49 -11.837 9.466 -7.490
414 2HG GLN 49 2HG GLN 49 -10.189 9.155 -6.945
415 1HE2 GLN 49 2HE2 GLN 49 -9.699 10.147 -5.139
416 2HE2 GLN 49 1HE2 GLN 49 -10.296 11.681 -4.616
417 H LEU 50 H LEU 50 -11.038 8.546 -12.011
418 HA LEU 50 HA LEU 50 -9.005 9.097 -13.711
419 1HB LEU 50 1HB LEU 50 -11.941 9.536 -14.247
420 2HB LEU 50 2HB LEU 50 -10.704 9.465 -15.486
421 HG LEU 50 HG LEU 50 -11.734 7.347 -15.492
422 1HD1 LEU 50 1HD1 LEU 50 -9.190 7.429 -15.407
423 2HD1 LEU 50 2HD1 LEU 50 -9.343 6.852 -13.745
424 3HD1 LEU 50 3HD1 LEU 50 -9.962 5.876 -15.080
425 1HD2 LEU 50 1HD2 LEU 50 -12.910 7.536 -13.361
426 2HD2 LEU 50 2HD2 LEU 50 -12.088 5.983 -13.513
427 3HD2 LEU 50 3HD2 LEU 50 -11.398 7.252 -12.499
428 H GLU 51 H GLU 51 -7.923 10.929 -12.827
429 HA GLU 51 HA GLU 51 -7.283 13.110 -12.805
430 1HB GLU 51 1HB GLU 51 -9.055 13.134 -15.246
431 2HB GLU 51 2HB GLU 51 -8.106 14.522 -14.746
432 1HG GLU 51 1HG GLU 51 -6.913 13.385 -16.456
433 2HG GLU 51 2HG GLU 51 -6.063 13.130 -14.937
434 H1 GLY -1 H1 GLY -1 -4.095 -8.239 15.385
435 H2 GLY -1 H2 GLY -1 -2.686 -8.832 16.110
436 H3 GLY -1 H3 GLY -1 -3.927 -8.196 17.067
437 1HA GLY -1 1HA GLY -1 -1.931 -6.715 16.702
438 2HA GLY -1 2HA GLY -1 -3.513 -6.013 16.415
439 H SER 0 H SER 0 -4.136 -7.067 13.944
440 HA SER 0 HA SER 0 -2.132 -6.941 12.005
441 1HB SER 0 1HB SER 0 -5.072 -6.272 11.732
442 2HB SER 0 2HB SER 0 -3.972 -6.581 10.392
443 HG SER 0 HG SER 0 -5.122 -8.457 10.933
444 H MET 1 H MET 1 -1.370 -5.310 10.681
445 HA MET 1 HA MET 1 -1.336 -2.691 11.833
446 1HB MET 1 1HB MET 1 0.101 -2.157 9.831
447 2HB MET 1 2HB MET 1 0.692 -3.460 10.851
448 1HG MET 1 1HG MET 1 -0.145 -5.106 9.284
449 2HG MET 1 2HG MET 1 -0.828 -3.829 8.280
450 1HE MET 1 1HE MET 1 0.618 -1.765 7.941
451 2HE MET 1 2HE MET 1 2.363 -1.758 7.676
452 3HE MET 1 3HE MET 1 1.277 -2.281 6.388
453 H GLN 2 H GLN 2 -2.934 -1.289 11.572
454 HA GLN 2 HA GLN 2 -4.871 -1.488 9.515
455 1HB GLN 2 1HB GLN 2 -5.753 0.600 10.439
456 2HB GLN 2 2HB GLN 2 -5.393 -0.554 11.713
457 1HG GLN 2 1HG GLN 2 -3.278 0.621 12.143
458 2HG GLN 2 2HG GLN 2 -3.710 1.808 10.918
459 1HE2 GLN 2 2HE2 GLN 2 -6.525 0.907 12.340
460 2HE2 GLN 2 1HE2 GLN 2 -6.643 2.130 13.552
461 H ILE 3 H ILE 3 -4.797 -0.770 7.511
462 HA ILE 3 HA ILE 3 -2.560 0.855 6.639
463 HB ILE 3 HB ILE 3 -3.331 0.392 4.368
464 1HG1 ILE 3 1HG1 ILE 3 -5.572 -1.147 5.694
465 2HG1 ILE 3 2HG1 ILE 3 -5.757 0.372 4.826
466 1HG2 ILE 3 1HG2 ILE 3 -1.983 -1.248 5.841
467 2HG2 ILE 3 2HG2 ILE 3 -3.456 -2.217 5.820
468 3HG2 ILE 3 3HG2 ILE 3 -2.643 -1.816 4.307
469 1HD1 ILE 3 1HD1 ILE 3 -4.414 -1.426 3.111
470 2HD1 ILE 3 2HD1 ILE 3 -5.795 -2.274 3.809
471 3HD1 ILE 3 3HD1 ILE 3 -6.038 -0.753 2.949
472 H PHE 4 H PHE 4 -2.696 2.825 5.602
473 HA PHE 4 HA PHE 4 -5.041 4.410 6.280
474 1HB PHE 4 1HB PHE 4 -2.358 5.187 5.115
475 2HB PHE 4 2HB PHE 4 -3.646 6.327 5.478
476 HD1 PHE 4 HD1 PHE 4 -3.182 7.586 7.320
477 HD2 PHE 4 HD2 PHE 4 -2.083 3.474 7.325
478 HE1 PHE 4 HE1 PHE 4 -2.338 7.818 9.619
479 HE2 PHE 4 HE2 PHE 4 -1.240 3.698 9.624
480 HZ PHE 4 HZ PHE 4 -1.366 5.872 10.775
481 H VAL 5 H VAL 5 -6.485 5.206 4.829
482 HA VAL 5 HA VAL 5 -5.909 5.059 1.976
483 HB VAL 5 HB VAL 5 -8.326 3.676 3.156
484 1HG1 VAL 5 1HG1 VAL 5 -7.877 4.776 0.591
485 2HG1 VAL 5 2HG1 VAL 5 -7.829 3.020 0.429
486 3HG1 VAL 5 3HG1 VAL 5 -9.240 3.801 1.139
487 1HG2 VAL 5 1HG2 VAL 5 -6.278 2.392 3.526
488 2HG2 VAL 5 2HG2 VAL 5 -7.331 1.601 2.352
489 3HG2 VAL 5 3HG2 VAL 5 -5.907 2.486 1.804
490 H LYS 6 H LYS 6 -6.942 6.600 0.806
491 HA LYS 6 HA LYS 6 -8.709 8.410 2.297
492 1HB LYS 6 1HB LYS 6 -7.055 8.867 -0.189
493 2HB LYS 6 2HB LYS 6 -8.161 10.052 0.490
494 1HG LYS 6 1HG LYS 6 -6.848 10.083 2.557
495 2HG LYS 6 2HG LYS 6 -5.728 8.915 1.851
496 1HD LYS 6 1HD LYS 6 -5.135 10.490 0.108
497 2HD LYS 6 2HD LYS 6 -6.316 11.648 0.720
498 1HE LYS 6 1HE LYS 6 -5.082 11.810 2.818
499 2HE LYS 6 2HE LYS 6 -3.907 10.636 2.223
500 1HZ LYS 6 1HZ LYS 6 -4.123 12.683 0.332
501 2HZ LYS 6 2HZ LYS 6 -3.930 13.411 1.847
502 3HZ LYS 6 3HZ LYS 6 -2.790 12.288 1.297
503 H THR 7 H THR 7 -10.798 8.500 1.808
504 HA THR 7 HA THR 7 -11.948 6.846 -0.177
505 HB THR 7 HB THR 7 -13.195 9.126 1.376
506 HG1 THR 7 HG1 THR 7 -13.546 6.367 1.891
507 1HG2 THR 7 1HG2 THR 7 -14.240 7.297 -0.661
508 2HG2 THR 7 2HG2 THR 7 -15.193 7.353 0.822
509 3HG2 THR 7 3HG2 THR 7 -14.880 8.834 -0.082
510 H LEU 8 H LEU 8 -13.096 7.457 -2.071
511 HA LEU 8 HA LEU 8 -11.803 9.104 -3.821
512 1HB LEU 8 1HB LEU 8 -14.786 8.698 -3.910
513 2HB LEU 8 2HB LEU 8 -13.712 9.004 -5.258
514 HG LEU 8 HG LEU 8 -14.114 6.750 -5.501
515 1HD1 LEU 8 1HD1 LEU 8 -11.605 7.384 -4.921
516 2HD1 LEU 8 2HD1 LEU 8 -11.904 6.248 -3.605
517 3HD1 LEU 8 3HD1 LEU 8 -12.109 5.733 -5.280
518 1HD2 LEU 8 1HD2 LEU 8 -14.172 6.602 -2.513
519 2HD2 LEU 8 2HD2 LEU 8 -15.496 6.344 -3.648
520 3HD2 LEU 8 3HD2 LEU 8 -14.179 5.175 -3.549
521 H THR 9 H THR 9 -14.486 9.955 -1.679
522 HA THR 9 HA THR 9 -14.663 12.655 -2.621
523 HB THR 9 HB THR 9 -16.169 13.017 -0.703
524 HG1 THR 9 HG1 THR 9 -16.627 10.816 0.394
525 1HG2 THR 9 1HG2 THR 9 -16.642 11.486 -2.919
526 2HG2 THR 9 2HG2 THR 9 -17.173 10.422 -1.616
527 3HG2 THR 9 3HG2 THR 9 -17.875 12.031 -1.783
528 H GLY 10 H GLY 10 -13.293 11.097 0.274
529 1HA GLY 10 1HA GLY 10 -12.267 13.636 1.240
530 2HA GLY 10 2HA GLY 10 -11.047 12.531 0.624
531 H LYS 11 H LYS 11 -13.930 11.434 2.274
532 HA LYS 11 HA LYS 11 -13.230 11.398 4.900
533 1HB LYS 11 1HB LYS 11 -15.379 10.577 4.100
534 2HB LYS 11 2HB LYS 11 -14.599 9.177 3.375
535 1HG LYS 11 1HG LYS 11 -13.880 8.465 5.637
536 2HG LYS 11 2HG LYS 11 -14.797 9.813 6.313
537 1HD LYS 11 1HD LYS 11 -15.939 7.565 4.655
538 2HD LYS 11 2HD LYS 11 -16.056 7.710 6.410
539 1HE LYS 11 1HE LYS 11 -17.190 9.640 4.392
540 2HE LYS 11 2HE LYS 11 -18.107 8.456 5.321
541 1HZ LYS 11 1HZ LYS 11 -17.035 9.681 7.326
542 2HZ LYS 11 2HZ LYS 11 -16.851 10.952 6.225
543 3HZ LYS 11 3HZ LYS 11 -18.392 10.343 6.563
544 H THR 12 H THR 12 -11.864 10.353 6.212
545 HA THR 12 HA THR 12 -9.734 8.800 5.049
546 HB THR 12 HB THR 12 -10.258 9.419 7.960
547 HG1 THR 12 HG1 THR 12 -8.263 10.792 6.638
548 1HG2 THR 12 1HG2 THR 12 -7.762 8.523 6.513
549 2HG2 THR 12 2HG2 THR 12 -7.830 9.018 8.204
550 3HG2 THR 12 3HG2 THR 12 -8.700 7.580 7.673
551 H ILE 13 H ILE 13 -9.272 6.639 5.411
552 HA ILE 13 HA ILE 13 -11.117 5.080 7.044
553 HB ILE 13 HB ILE 13 -11.133 3.330 5.134
554 1HG1 ILE 13 1HG1 ILE 13 -10.746 5.876 3.545
555 2HG1 ILE 13 2HG1 ILE 13 -9.571 4.572 3.666
556 1HG2 ILE 13 1HG2 ILE 13 -12.806 5.732 5.554
557 2HG2 ILE 13 2HG2 ILE 13 -13.104 4.791 4.091
558 3HG2 ILE 13 3HG2 ILE 13 -13.219 4.020 5.673
559 1HD1 ILE 13 1HD1 ILE 13 -11.896 3.317 2.840
560 2HD1 ILE 13 2HD1 ILE 13 -11.868 4.835 1.943
561 3HD1 ILE 13 3HD1 ILE 13 -10.500 3.726 1.842
562 H THR 14 H THR 14 -10.201 3.435 8.081
563 HA THR 14 HA THR 14 -7.537 2.504 7.265
564 HB THR 14 HB THR 14 -8.155 3.193 10.136
565 HG1 THR 14 HG1 THR 14 -8.198 5.097 8.769
566 1HG2 THR 14 1HG2 THR 14 -6.102 1.758 8.931
567 2HG2 THR 14 2HG2 THR 14 -5.408 3.348 9.251
568 3HG2 THR 14 3HG2 THR 14 -6.115 2.412 10.568
569 H LEU 15 H LEU 15 -7.114 0.371 7.737
570 HA LEU 15 HA LEU 15 -8.891 -1.110 9.491
571 1HB LEU 15 1HB LEU 15 -9.402 -2.821 7.797
572 2HB LEU 15 2HB LEU 15 -10.112 -1.264 7.420
573 HG LEU 15 HG LEU 15 -7.475 -1.923 6.202
574 1HD1 LEU 15 1HD1 LEU 15 -9.036 -3.936 5.980
575 2HD1 LEU 15 2HD1 LEU 15 -10.024 -2.895 4.955
576 3HD1 LEU 15 3HD1 LEU 15 -8.359 -3.257 4.499
577 1HD2 LEU 15 1HD2 LEU 15 -9.107 0.199 6.037
578 2HD2 LEU 15 2HD2 LEU 15 -8.039 -0.308 4.728
579 3HD2 LEU 15 3HD2 LEU 15 -9.739 -0.773 4.708
580 H GLU 16 H GLU 16 -7.833 -2.644 10.547
581 HA GLU 16 HA GLU 16 -5.047 -3.017 10.170
582 1HB GLU 16 1HB GLU 16 -5.292 -4.708 11.977
583 2HB GLU 16 2HB GLU 16 -5.990 -3.148 12.383
584 1HG GLU 16 1HG GLU 16 -8.215 -4.000 11.849
585 2HG GLU 16 2HG GLU 16 -7.514 -5.567 11.444
586 H VAL 17 H VAL 17 -3.951 -4.538 9.098
587 HA VAL 17 HA VAL 17 -5.225 -7.012 8.264
588 HB VAL 17 HB VAL 17 -4.479 -6.715 5.893
589 1HG1 VAL 17 1HG1 VAL 17 -3.275 -4.406 6.925
590 2HG1 VAL 17 2HG1 VAL 17 -3.317 -4.945 5.247
591 3HG1 VAL 17 3HG1 VAL 17 -4.562 -3.854 5.855
592 1HG2 VAL 17 1HG2 VAL 17 -6.836 -6.198 6.906
593 2HG2 VAL 17 2HG2 VAL 17 -6.431 -4.542 6.460
594 3HG2 VAL 17 3HG2 VAL 17 -6.471 -5.802 5.227
595 H GLU 18 H GLU 18 -3.801 -8.665 8.120
596 HA GLU 18 HA GLU 18 -1.184 -8.292 9.145
597 1HB GLU 18 1HB GLU 18 -2.349 -10.731 7.798
598 2HB GLU 18 2HB GLU 18 -0.919 -10.693 8.817
599 1HG GLU 18 1HG GLU 18 -2.290 -10.018 10.721
600 2HG GLU 18 2HG GLU 18 -3.724 -10.053 9.698
601 HA PRO 19 HA PRO 19 1.210 -7.245 5.576
602 1HB PRO 19 1HB PRO 19 3.432 -8.812 6.252
603 2HB PRO 19 2HB PRO 19 3.163 -7.137 6.722
604 1HG PRO 19 1HG PRO 19 2.682 -9.636 8.264
605 2HG PRO 19 2HG PRO 19 3.239 -8.053 8.833
606 1HD PRO 19 1HD PRO 19 0.729 -8.865 9.252
607 2HD PRO 19 2HD PRO 19 1.090 -7.170 8.864
608 H SER 20 H SER 20 1.024 -10.595 6.637
609 HA SER 20 HA SER 20 1.956 -11.796 4.274
610 1HB SER 20 1HB SER 20 1.848 -12.975 6.411
611 2HB SER 20 2HB SER 20 0.090 -12.883 6.390
612 HG SER 20 HG SER 20 1.740 -14.271 4.546
613 H ASP 21 H ASP 21 -1.203 -10.645 5.251
614 HA ASP 21 HA ASP 21 -2.804 -11.948 3.388
615 1HB ASP 21 1HB ASP 21 -3.057 -9.200 4.615
616 2HB ASP 21 2HB ASP 21 -4.302 -9.920 3.603
617 H THR 22 H THR 22 -3.152 -11.750 1.269
618 HA THR 22 HA THR 22 -1.331 -10.450 -0.402
619 HB THR 22 HB THR 22 -2.916 -10.945 -2.243
620 HG1 THR 22 HG1 THR 22 -4.713 -12.412 -0.982
621 1HG2 THR 22 1HG2 THR 22 -1.346 -12.653 -1.263
622 2HG2 THR 22 2HG2 THR 22 -2.714 -13.271 -0.338
623 3HG2 THR 22 3HG2 THR 22 -2.749 -13.316 -2.100
624 H ILE 23 H ILE 23 -1.490 -8.646 -1.737
625 HA ILE 23 HA ILE 23 -2.552 -6.326 -0.640
626 HB ILE 23 HB ILE 23 -1.905 -6.846 -3.547
627 1HG1 ILE 23 1HG1 ILE 23 -0.226 -5.691 -1.307
628 2HG1 ILE 23 2HG1 ILE 23 -0.005 -7.271 -2.051
629 1HG2 ILE 23 1HG2 ILE 23 -3.107 -4.601 -2.303
630 2HG2 ILE 23 2HG2 ILE 23 -1.467 -4.150 -2.768
631 3HG2 ILE 23 3HG2 ILE 23 -2.584 -4.780 -3.979
632 1HD1 ILE 23 1HD1 ILE 23 0.195 -4.697 -3.586
633 2HD1 ILE 23 2HD1 ILE 23 1.574 -5.476 -2.805
634 3HD1 ILE 23 3HD1 ILE 23 0.701 -6.310 -4.091
635 H GLU 24 H GLU 24 -3.939 -8.566 -2.972
636 HA GLU 24 HA GLU 24 -6.185 -6.981 -3.665
637 1HB GLU 24 1HB GLU 24 -7.125 -9.079 -4.554
638 2HB GLU 24 2HB GLU 24 -5.467 -8.827 -5.075
639 1HG GLU 24 1HG GLU 24 -4.691 -10.394 -3.370
640 2HG GLU 24 2HG GLU 24 -6.356 -10.651 -2.854
641 H ASN 25 H ASN 25 -5.496 -9.177 -1.042
642 HA ASN 25 HA ASN 25 -8.141 -9.609 -0.151
643 1HB ASN 25 1HB ASN 25 -6.250 -11.014 0.556
644 2HB ASN 25 2HB ASN 25 -5.555 -9.647 1.420
645 1HD2 ASN 25 2HD2 ASN 25 -7.021 -12.411 1.952
646 2HD2 ASN 25 1HD2 ASN 25 -7.945 -12.042 3.364
647 H VAL 26 H VAL 26 -5.628 -7.357 0.982
648 HA VAL 26 HA VAL 26 -7.135 -6.098 2.951
649 HB VAL 26 HB VAL 26 -5.541 -4.279 2.849
650 1HG1 VAL 26 1HG1 VAL 26 -4.985 -6.824 3.506
651 2HG1 VAL 26 2HG1 VAL 26 -3.734 -6.532 2.297
652 3HG1 VAL 26 3HG1 VAL 26 -3.852 -5.489 3.714
653 1HG2 VAL 26 1HG2 VAL 26 -5.418 -4.865 0.120
654 2HG2 VAL 26 2HG2 VAL 26 -4.520 -3.624 0.993
655 3HG2 VAL 26 3HG2 VAL 26 -3.816 -5.224 0.762
656 H LYS 27 H LYS 27 -6.856 -5.402 -0.497
657 HA LYS 27 HA LYS 27 -8.331 -2.988 -0.467
658 1HB LYS 27 1HB LYS 27 -7.861 -4.971 -2.697
659 2HB LYS 27 2HB LYS 27 -8.569 -3.376 -2.914
660 1HG LYS 27 1HG LYS 27 -6.506 -2.345 -2.117
661 2HG LYS 27 2HG LYS 27 -5.794 -3.944 -1.892
662 1HD LYS 27 1HD LYS 27 -5.989 -4.393 -4.270
663 2HD LYS 27 2HD LYS 27 -6.782 -2.838 -4.519
664 1HE LYS 27 1HE LYS 27 -4.765 -1.686 -3.767
665 2HE LYS 27 2HE LYS 27 -3.971 -3.238 -3.507
666 1HZ LYS 27 1HZ LYS 27 -5.072 -2.866 -6.155
667 2HZ LYS 27 2HZ LYS 27 -3.805 -1.813 -5.769
668 3HZ LYS 27 3HZ LYS 27 -3.572 -3.488 -5.683
669 H ALA 28 H ALA 28 -9.242 -6.367 -0.861
670 HA ALA 28 HA ALA 28 -11.828 -6.146 -1.768
671 1HB ALA 28 1HB ALA 28 -12.245 -8.264 -0.422
672 2HB ALA 28 2HB ALA 28 -10.924 -8.305 -1.591
673 3HB ALA 28 3HB ALA 28 -10.576 -8.110 0.127
674 H LYS 29 H LYS 29 -10.648 -5.783 1.547
675 HA LYS 29 HA LYS 29 -13.209 -5.523 2.751
676 1HB LYS 29 1HB LYS 29 -10.642 -4.325 3.793
677 2HB LYS 29 2HB LYS 29 -12.037 -4.863 4.717
678 1HG LYS 29 1HG LYS 29 -11.547 -7.178 4.103
679 2HG LYS 29 2HG LYS 29 -10.144 -6.627 3.184
680 1HD LYS 29 1HD LYS 29 -9.158 -5.725 5.234
681 2HD LYS 29 2HD LYS 29 -10.560 -6.272 6.152
682 1HE LYS 29 1HE LYS 29 -10.052 -8.587 5.543
683 2HE LYS 29 2HE LYS 29 -8.649 -8.038 4.630
684 1HZ LYS 29 1HZ LYS 29 -8.295 -6.937 7.092
685 2HZ LYS 29 2HZ LYS 29 -8.934 -8.462 7.446
686 3HZ LYS 29 3HZ LYS 29 -7.529 -8.330 6.513
687 H ILE 30 H ILE 30 -10.840 -3.280 1.444
688 HA ILE 30 HA ILE 30 -11.952 -0.863 2.228
689 HB ILE 30 HB ILE 30 -10.534 -1.530 -0.355
690 1HG1 ILE 30 1HG1 ILE 30 -9.504 -0.382 2.251
691 2HG1 ILE 30 2HG1 ILE 30 -9.223 -2.019 1.669
692 1HG2 ILE 30 1HG2 ILE 30 -11.102 1.146 0.920
693 2HG2 ILE 30 2HG2 ILE 30 -10.031 0.890 -0.458
694 3HG2 ILE 30 3HG2 ILE 30 -11.755 0.543 -0.604
695 1HD1 ILE 30 1HD1 ILE 30 -8.055 -1.033 -0.299
696 2HD1 ILE 30 2HD1 ILE 30 -8.198 0.542 0.481
697 3HD1 ILE 30 3HD1 ILE 30 -7.267 -0.743 1.252
698 H GLN 31 H GLN 31 -12.808 -3.026 -0.410
699 HA GLN 31 HA GLN 31 -14.618 -1.319 -1.747
700 1HB GLN 31 1HB GLN 31 -14.653 -4.341 -1.569
701 2HB GLN 31 2HB GLN 31 -15.493 -3.369 -2.769
702 1HG GLN 31 1HG GLN 31 -13.361 -2.595 -3.648
703 2HG GLN 31 2HG GLN 31 -12.508 -3.541 -2.433
704 1HE2 GLN 31 2HE2 GLN 31 -11.711 -5.355 -3.185
705 2HE2 GLN 31 1HE2 GLN 31 -12.387 -6.331 -4.437
706 H ASP 32 H ASP 32 -14.986 -3.727 0.805
707 HA ASP 32 HA ASP 32 -17.787 -3.451 1.087
708 1HB ASP 32 1HB ASP 32 -16.500 -5.412 1.908
709 2HB ASP 32 2HB ASP 32 -15.763 -4.383 3.132
710 H LYS 33 H LYS 33 -15.016 -1.825 2.377
711 HA LYS 33 HA LYS 33 -16.314 -0.407 4.454
712 1HB LYS 33 1HB LYS 33 -13.689 0.008 3.034
713 2HB LYS 33 2HB LYS 33 -14.217 1.001 4.389
714 1HG LYS 33 1HG LYS 33 -14.349 -1.036 5.777
715 2HG LYS 33 2HG LYS 33 -13.727 -1.970 4.418
716 1HD LYS 33 1HD LYS 33 -11.914 -1.472 5.916
717 2HD LYS 33 2HD LYS 33 -11.698 -0.547 4.429
718 1HE LYS 33 1HE LYS 33 -11.221 0.825 6.385
719 2HE LYS 33 2HE LYS 33 -12.631 1.430 5.518
720 1HZ LYS 33 1HZ LYS 33 -13.603 -0.357 7.378
721 2HZ LYS 33 2HZ LYS 33 -12.432 0.543 8.203
722 3HZ LYS 33 3HZ LYS 33 -13.715 1.330 7.432
723 H GLU 34 H GLU 34 -15.784 0.265 1.047
724 HA GLU 34 HA GLU 34 -17.477 2.642 1.355
725 1HB GLU 34 1HB GLU 34 -14.898 2.570 -0.217
726 2HB GLU 34 2HB GLU 34 -16.043 3.902 -0.213
727 1HG GLU 34 1HG GLU 34 -14.557 2.894 2.202
728 2HG GLU 34 2HG GLU 34 -14.098 4.294 1.237
729 H GLY 35 H GLY 35 -15.829 0.651 -1.122
730 1HA GLY 35 1HA GLY 35 -18.352 0.746 -2.662
731 2HA GLY 35 2HA GLY 35 -17.353 -0.693 -2.556
732 H ILE 36 H ILE 36 -14.874 0.065 -3.080
733 HA ILE 36 HA ILE 36 -15.069 1.168 -5.795
734 HB ILE 36 HB ILE 36 -12.524 1.813 -4.576
735 1HG1 ILE 36 1HG1 ILE 36 -13.532 3.771 -3.245
736 2HG1 ILE 36 2HG1 ILE 36 -15.027 2.844 -3.256
737 1HG2 ILE 36 1HG2 ILE 36 -14.518 2.970 -6.354
738 2HG2 ILE 36 2HG2 ILE 36 -13.696 4.157 -5.340
739 3HG2 ILE 36 3HG2 ILE 36 -12.757 3.085 -6.383
740 1HD1 ILE 36 1HD1 ILE 36 -13.232 0.990 -2.396
741 2HD1 ILE 36 2HD1 ILE 36 -12.600 2.476 -1.687
742 3HD1 ILE 36 3HD1 ILE 36 -14.259 1.975 -1.354
743 HA PRO 37 HA PRO 37 -12.963 -2.538 -7.012
744 1HB PRO 37 1HB PRO 37 -11.637 -0.685 -8.941
745 2HB PRO 37 2HB PRO 37 -12.430 -2.235 -9.237
746 1HG PRO 37 1HG PRO 37 -13.650 0.046 -9.857
747 2HG PRO 37 2HG PRO 37 -14.559 -1.308 -9.158
748 1HD PRO 37 1HD PRO 37 -13.657 1.233 -7.883
749 2HD PRO 37 2HD PRO 37 -15.131 0.288 -7.598
750 HA PRO 38 HA PRO 38 -9.176 -2.275 -4.701
751 1HB PRO 38 1HB PRO 38 -7.977 -4.514 -5.802
752 2HB PRO 38 2HB PRO 38 -9.118 -4.537 -4.457
753 1HG PRO 38 1HG PRO 38 -9.599 -5.050 -7.361
754 2HG PRO 38 2HG PRO 38 -10.273 -5.881 -5.948
755 1HD PRO 38 1HD PRO 38 -11.708 -4.087 -7.324
756 2HD PRO 38 2HD PRO 38 -11.835 -4.209 -5.556
757 H ASP 39 H ASP 39 -9.110 -2.809 -8.193
758 HA ASP 39 HA ASP 39 -6.408 -2.234 -8.635
759 1HB ASP 39 1HB ASP 39 -7.848 -3.290 -10.321
760 2HB ASP 39 2HB ASP 39 -8.763 -1.793 -10.483
761 H GLN 40 H GLN 40 -9.222 -0.131 -8.351
762 HA GLN 40 HA GLN 40 -8.026 2.205 -9.323
763 1HB GLN 40 1HB GLN 40 -10.254 1.905 -7.312
764 2HB GLN 40 2HB GLN 40 -9.839 3.395 -8.146
765 1HG GLN 40 1HG GLN 40 -10.296 2.239 -10.300
766 2HG GLN 40 2HG GLN 40 -10.866 0.852 -9.379
767 1HE2 GLN 40 2HE2 GLN 40 -11.604 3.590 -7.681
768 2HE2 GLN 40 1HE2 GLN 40 -13.226 3.820 -8.221
769 H GLN 41 H GLN 41 -8.224 0.919 -6.014
770 HA GLN 41 HA GLN 41 -7.118 3.064 -4.644
771 1HB GLN 41 1HB GLN 41 -6.921 0.097 -4.145
772 2HB GLN 41 2HB GLN 41 -6.230 1.281 -3.044
773 1HG GLN 41 1HG GLN 41 -8.375 0.569 -2.236
774 2HG GLN 41 2HG GLN 41 -8.457 2.258 -2.722
775 1HE2 GLN 41 2HE2 GLN 41 -9.922 -0.713 -2.927
776 2HE2 GLN 41 1HE2 GLN 41 -10.980 -0.405 -4.257
777 H ARG 42 H ARG 42 -5.172 4.001 -4.645
778 HA ARG 42 HA ARG 42 -3.053 2.778 -6.189
779 1HB ARG 42 1HB ARG 42 -3.630 5.095 -6.686
780 2HB ARG 42 2HB ARG 42 -3.282 5.549 -5.025
781 1HG ARG 42 1HG ARG 42 -0.936 4.941 -5.349
782 2HG ARG 42 2HG ARG 42 -1.288 4.490 -7.016
783 1HD ARG 42 1HD ARG 42 -1.619 7.237 -5.818
784 2HD ARG 42 2HD ARG 42 -0.311 6.726 -6.884
785 HE ARG 42 HE ARG 42 -2.745 6.235 -8.173
786 1HH1 ARG 42 1HH1 ARG 42 -0.808 8.924 -7.097
787 2HH1 ARG 42 2HH1 ARG 42 -1.387 9.998 -8.326
788 1HH2 ARG 42 1HH2 ARG 42 -3.512 7.642 -9.793
789 2HH2 ARG 42 2HH2 ARG 42 -2.924 9.270 -9.858
790 H LEU 43 H LEU 43 -1.387 1.752 -5.303
791 HA LEU 43 HA LEU 43 -1.091 1.620 -2.458
792 1HB LEU 43 1HB LEU 43 0.441 0.452 -4.762
793 2HB LEU 43 2HB LEU 43 1.021 0.297 -3.117
794 HG LEU 43 HG LEU 43 -1.041 -0.882 -2.497
795 1HD1 LEU 43 1HD1 LEU 43 -1.746 -0.375 -5.366
796 2HD1 LEU 43 2HD1 LEU 43 -2.466 -1.698 -4.449
797 3HD1 LEU 43 3HD1 LEU 43 -2.691 -0.029 -3.918
798 1HD2 LEU 43 1HD2 LEU 43 0.922 -2.138 -3.270
799 2HD2 LEU 43 2HD2 LEU 43 -0.592 -2.953 -3.657
800 3HD2 LEU 43 3HD2 LEU 43 0.288 -2.086 -4.915
801 H ILE 44 H ILE 44 0.255 2.684 -1.158
802 HA ILE 44 HA ILE 44 2.491 4.184 -2.287
803 HB ILE 44 HB ILE 44 0.372 5.457 -0.556
804 1HG1 ILE 44 1HG1 ILE 44 1.225 6.055 -3.398
805 2HG1 ILE 44 2HG1 ILE 44 -0.241 5.193 -2.944
806 1HG2 ILE 44 1HG2 ILE 44 3.016 6.492 -1.557
807 2HG2 ILE 44 2HG2 ILE 44 1.741 7.527 -0.916
808 3HG2 ILE 44 3HG2 ILE 44 2.491 6.310 0.117
809 1HD1 ILE 44 1HD1 ILE 44 -0.112 7.699 -1.571
810 2HD1 ILE 44 2HD1 ILE 44 0.085 7.935 -3.307
811 3HD1 ILE 44 3HD1 ILE 44 -1.333 7.088 -2.687
812 H PHE 45 H PHE 45 4.246 4.177 -0.999
813 HA PHE 45 HA PHE 45 3.915 3.320 1.799
814 1HB PHE 45 1HB PHE 45 6.045 2.391 -0.141
815 2HB PHE 45 2HB PHE 45 6.022 2.021 1.580
816 HD1 PHE 45 HD1 PHE 45 3.801 1.739 -1.409
817 HD2 PHE 45 HD2 PHE 45 5.168 0.003 2.228
818 HE1 PHE 45 HE1 PHE 45 2.440 -0.261 -1.857
819 HE2 PHE 45 HE2 PHE 45 3.809 -2.000 1.786
820 HZ PHE 45 HZ PHE 45 2.444 -2.134 -0.258
821 H ALA 46 H ALA 46 5.305 4.243 3.309
822 HA ALA 46 HA ALA 46 7.420 6.019 2.399
823 1HB ALA 46 1HB ALA 46 6.088 7.816 2.359
824 2HB ALA 46 2HB ALA 46 4.805 7.003 3.256
825 3HB ALA 46 3HB ALA 46 6.161 7.730 4.119
826 H GLY 47 H GLY 47 9.061 6.077 3.804
827 1HA GLY 47 1HA GLY 47 10.311 5.680 5.686
828 2HA GLY 47 2HA GLY 47 9.182 4.376 6.011
829 H LYS 48 H LYS 48 8.781 4.559 8.128
830 HA LYS 48 HA LYS 48 7.155 6.707 9.068
831 1HB LYS 48 1HB LYS 48 6.903 4.393 9.878
832 2HB LYS 48 2HB LYS 48 8.499 4.477 10.606
833 1HG LYS 48 1HG LYS 48 6.794 4.782 12.287
834 2HG LYS 48 2HG LYS 48 7.719 6.269 12.087
835 1HD LYS 48 1HD LYS 48 5.941 7.186 10.677
836 2HD LYS 48 2HD LYS 48 5.017 5.698 10.876
837 1HE LYS 48 1HE LYS 48 4.201 7.432 12.378
838 2HE LYS 48 2HE LYS 48 4.895 6.088 13.284
839 1HZ LYS 48 1HZ LYS 48 6.644 8.338 12.623
840 2HZ LYS 48 2HZ LYS 48 5.488 8.573 13.836
841 3HZ LYS 48 3HZ LYS 48 6.637 7.340 13.990
842 H GLN 49 H GLN 49 8.694 8.432 8.528
843 HA GLN 49 HA GLN 49 11.097 8.755 9.991
844 1HB GLN 49 1HB GLN 49 9.298 10.840 8.728
845 2HB GLN 49 2HB GLN 49 10.932 11.131 9.303
846 1HG GLN 49 1HG GLN 49 11.799 9.557 7.652
847 2HG GLN 49 2HG GLN 49 10.159 9.257 7.078
848 1HE2 GLN 49 2HE2 GLN 49 9.703 10.280 5.281
849 2HE2 GLN 49 1HE2 GLN 49 10.303 11.826 4.799
850 H LEU 50 H LEU 50 11.145 8.838 12.130
851 HA LEU 50 HA LEU 50 9.016 9.240 13.834
852 1HB LEU 50 1HB LEU 50 11.942 9.765 14.346
853 2HB LEU 50 2HB LEU 50 10.717 9.708 15.596
854 HG LEU 50 HG LEU 50 11.836 7.616 15.625
855 1HD1 LEU 50 1HD1 LEU 50 9.313 7.629 15.740
856 2HD1 LEU 50 2HD1 LEU 50 9.327 7.065 14.069
857 3HD1 LEU 50 3HD1 LEU 50 10.068 6.087 15.337
858 1HD2 LEU 50 1HD2 LEU 50 11.348 7.470 12.657
859 2HD2 LEU 50 2HD2 LEU 50 12.903 7.680 13.463
860 3HD2 LEU 50 3HD2 LEU 50 12.012 6.168 13.645
861 H GLU 51 H GLU 51 7.877 11.033 12.911
862 HA GLU 51 HA GLU 51 7.178 13.196 12.851
863 1HB GLU 51 1HB GLU 51 8.987 13.380 15.264
864 2HB GLU 51 2HB GLU 51 7.893 14.658 14.758
865 1HG GLU 51 1HG GLU 51 6.912 13.387 16.551
866 2HG GLU 51 2HG GLU 51 5.993 13.143 15.069
No H/Q in entry = 866
Start of MODEL 13
1 H1 GLY -1 H1 GLY -1 2.105 -8.708 -16.589
2 H2 GLY -1 H2 GLY -1 3.439 -8.784 -17.626
3 H3 GLY -1 H3 GLY -1 3.393 -9.744 -16.233
4 1HA GLY -1 1HA GLY -1 3.582 -6.784 -16.332
5 2HA GLY -1 2HA GLY -1 4.868 -7.890 -15.874
6 H SER 0 H SER 0 3.174 -5.683 -14.520
7 HA SER 0 HA SER 0 1.844 -6.994 -12.358
8 1HB SER 0 1HB SER 0 4.563 -5.770 -11.824
9 2HB SER 0 2HB SER 0 3.425 -6.277 -10.580
10 HG SER 0 HG SER 0 4.215 -8.197 -10.791
11 H MET 1 H MET 1 3.208 -4.480 -10.840
12 HA MET 1 HA MET 1 1.870 -2.280 -12.109
13 1HB MET 1 1HB MET 1 0.417 -1.826 -10.081
14 2HB MET 1 2HB MET 1 -0.092 -3.158 -11.109
15 1HG MET 1 1HG MET 1 0.769 -4.767 -9.570
16 2HG MET 1 2HG MET 1 1.522 -3.505 -8.597
17 1HE MET 1 1HE MET 1 0.319 -1.567 -7.857
18 2HE MET 1 2HE MET 1 -1.433 -1.368 -7.767
19 3HE MET 1 3HE MET 1 -0.557 -2.098 -6.419
20 H GLN 2 H GLN 2 3.238 -0.672 -11.842
21 HA GLN 2 HA GLN 2 5.341 -0.643 -9.991
22 1HB GLN 2 1HB GLN 2 5.678 1.689 -10.721
23 2HB GLN 2 2HB GLN 2 5.453 0.593 -12.076
24 1HG GLN 2 1HG GLN 2 3.095 1.309 -12.216
25 2HG GLN 2 2HG GLN 2 3.398 2.465 -10.923
26 1HE2 GLN 2 2HE2 GLN 2 6.161 2.237 -12.719
27 2HE2 GLN 2 1HE2 GLN 2 5.909 3.569 -13.789
28 H ILE 3 H ILE 3 5.488 0.004 -7.951
29 HA ILE 3 HA ILE 3 3.121 1.144 -6.672
30 HB ILE 3 HB ILE 3 4.185 0.528 -4.546
31 1HG1 ILE 3 1HG1 ILE 3 6.388 -0.622 -6.270
32 2HG1 ILE 3 2HG1 ILE 3 6.534 0.807 -5.255
33 1HG2 ILE 3 1HG2 ILE 3 4.033 -1.667 -6.600
34 2HG2 ILE 3 2HG2 ILE 3 4.122 -1.937 -4.859
35 3HG2 ILE 3 3HG2 ILE 3 2.738 -1.091 -5.551
36 1HD1 ILE 3 1HD1 ILE 3 5.587 -1.248 -3.596
37 2HD1 ILE 3 2HD1 ILE 3 6.888 -1.937 -4.569
38 3HD1 ILE 3 3HD1 ILE 3 7.182 -0.495 -3.596
39 H PHE 4 H PHE 4 3.075 3.130 -5.772
40 HA PHE 4 HA PHE 4 5.359 4.871 -6.244
41 1HB PHE 4 1HB PHE 4 2.561 5.467 -5.252
42 2HB PHE 4 2HB PHE 4 3.800 6.684 -5.523
43 HD1 PHE 4 HD1 PHE 4 3.436 7.926 -7.401
44 HD2 PHE 4 HD2 PHE 4 2.467 3.782 -7.472
45 HE1 PHE 4 HE1 PHE 4 2.728 8.135 -9.748
46 HE2 PHE 4 HE2 PHE 4 1.760 3.984 -9.820
47 HZ PHE 4 HZ PHE 4 1.890 6.162 -10.960
48 H VAL 5 H VAL 5 6.787 5.378 -4.697
49 HA VAL 5 HA VAL 5 5.976 5.307 -1.888
50 HB VAL 5 HB VAL 5 8.379 3.772 -2.877
51 1HG1 VAL 5 1HG1 VAL 5 7.672 4.779 -0.319
52 2HG1 VAL 5 2HG1 VAL 5 7.585 3.019 -0.271
53 3HG1 VAL 5 3HG1 VAL 5 9.074 3.814 -0.779
54 1HG2 VAL 5 1HG2 VAL 5 6.293 2.668 -3.535
55 2HG2 VAL 5 2HG2 VAL 5 7.193 1.742 -2.334
56 3HG2 VAL 5 3HG2 VAL 5 5.774 2.671 -1.849
57 H LYS 6 H LYS 6 6.970 6.841 -0.689
58 HA LYS 6 HA LYS 6 9.002 8.470 -2.019
59 1HB LYS 6 1HB LYS 6 7.079 9.641 -1.023
60 2HB LYS 6 2HB LYS 6 7.477 8.961 0.550
61 1HG LYS 6 1HG LYS 6 9.581 10.174 0.568
62 2HG LYS 6 2HG LYS 6 9.237 10.821 -1.037
63 1HD LYS 6 1HD LYS 6 7.563 11.303 1.426
64 2HD LYS 6 2HD LYS 6 8.743 12.434 0.763
65 1HE LYS 6 1HE LYS 6 6.273 11.421 -0.641
66 2HE LYS 6 2HE LYS 6 6.474 13.019 0.078
67 1HZ LYS 6 1HZ LYS 6 8.147 11.957 -2.133
68 2HZ LYS 6 2HZ LYS 6 6.818 12.983 -2.347
69 3HZ LYS 6 3HZ LYS 6 8.180 13.526 -1.503
70 H THR 7 H THR 7 11.085 8.092 -1.607
71 HA THR 7 HA THR 7 11.923 6.221 0.335
72 HB THR 7 HB THR 7 14.226 6.924 -0.233
73 HG1 THR 7 HG1 THR 7 13.914 8.514 -2.254
74 1HG2 THR 7 1HG2 THR 7 12.364 6.526 -2.576
75 2HG2 THR 7 2HG2 THR 7 14.117 6.348 -2.644
76 3HG2 THR 7 3HG2 THR 7 13.160 5.267 -1.631
77 H LEU 8 H LEU 8 14.262 7.447 1.354
78 HA LEU 8 HA LEU 8 13.119 8.760 3.649
79 1HB LEU 8 1HB LEU 8 15.982 8.065 2.985
80 2HB LEU 8 2HB LEU 8 15.439 8.709 4.522
81 HG LEU 8 HG LEU 8 15.771 6.330 4.737
82 1HD1 LEU 8 1HD1 LEU 8 14.798 6.234 2.103
83 2HD1 LEU 8 2HD1 LEU 8 15.392 4.902 3.095
84 3HD1 LEU 8 3HD1 LEU 8 13.677 5.309 3.099
85 1HD2 LEU 8 1HD2 LEU 8 13.850 7.375 5.906
86 2HD2 LEU 8 2HD2 LEU 8 12.815 6.861 4.575
87 3HD2 LEU 8 3HD2 LEU 8 13.632 5.658 5.573
88 H THR 9 H THR 9 15.457 9.603 1.110
89 HA THR 9 HA THR 9 15.808 12.281 2.034
90 HB THR 9 HB THR 9 16.987 12.660 -0.095
91 HG1 THR 9 HG1 THR 9 16.549 11.413 -1.739
92 1HG2 THR 9 1HG2 THR 9 17.625 10.173 1.469
93 2HG2 THR 9 2HG2 THR 9 18.672 10.750 0.173
94 3HG2 THR 9 3HG2 THR 9 18.371 11.767 1.582
95 H GLY 10 H GLY 10 13.945 10.810 -0.620
96 1HA GLY 10 1HA GLY 10 12.834 13.379 -1.373
97 2HA GLY 10 2HA GLY 10 11.709 12.310 -0.550
98 H LYS 11 H LYS 11 14.245 11.293 -2.767
99 HA LYS 11 HA LYS 11 12.942 11.225 -5.171
100 1HB LYS 11 1HB LYS 11 15.291 10.618 -4.910
101 2HB LYS 11 2HB LYS 11 14.834 9.144 -4.066
102 1HG LYS 11 1HG LYS 11 13.695 8.365 -6.113
103 2HG LYS 11 2HG LYS 11 14.265 9.811 -6.946
104 1HD LYS 11 1HD LYS 11 16.018 7.707 -5.681
105 2HD LYS 11 2HD LYS 11 15.694 7.871 -7.406
106 1HE LYS 11 1HE LYS 11 16.717 10.093 -7.386
107 2HE LYS 11 2HE LYS 11 17.042 9.927 -5.663
108 1HZ LYS 11 1HZ LYS 11 18.156 7.696 -6.709
109 2HZ LYS 11 2HZ LYS 11 18.475 8.847 -7.907
110 3HZ LYS 11 3HZ LYS 11 18.994 9.112 -6.318
111 H THR 12 H THR 12 11.360 10.089 -6.107
112 HA THR 12 HA THR 12 9.824 8.250 -4.479
113 HB THR 12 HB THR 12 9.332 9.188 -7.311
114 HG1 THR 12 HG1 THR 12 8.767 10.968 -6.319
115 1HG2 THR 12 1HG2 THR 12 7.518 7.795 -5.339
116 2HG2 THR 12 2HG2 THR 12 7.023 8.435 -6.906
117 3HG2 THR 12 3HG2 THR 12 8.174 7.102 -6.821
118 H ILE 13 H ILE 13 9.765 6.082 -4.677
119 HA ILE 13 HA ILE 13 11.515 4.863 -6.686
120 HB ILE 13 HB ILE 13 10.682 2.796 -5.089
121 1HG1 ILE 13 1HG1 ILE 13 11.124 5.211 -3.327
122 2HG1 ILE 13 2HG1 ILE 13 9.602 4.349 -3.527
123 1HG2 ILE 13 1HG2 ILE 13 13.119 4.494 -5.195
124 2HG2 ILE 13 2HG2 ILE 13 12.980 3.246 -3.951
125 3HG2 ILE 13 3HG2 ILE 13 12.886 2.805 -5.659
126 1HD1 ILE 13 1HD1 ILE 13 11.361 2.365 -2.806
127 2HD1 ILE 13 2HD1 ILE 13 11.873 3.747 -1.836
128 3HD1 ILE 13 3HD1 ILE 13 10.206 3.175 -1.746
129 H THR 14 H THR 14 10.812 3.554 -8.230
130 HA THR 14 HA THR 14 7.926 2.972 -8.332
131 HB THR 14 HB THR 14 9.676 2.737 -10.752
132 HG1 THR 14 HG1 THR 14 9.880 4.853 -10.949
133 1HG2 THR 14 1HG2 THR 14 6.813 3.022 -10.096
134 2HG2 THR 14 2HG2 THR 14 7.365 3.897 -11.524
135 3HG2 THR 14 3HG2 THR 14 7.592 2.152 -11.419
136 H LEU 15 H LEU 15 7.300 0.843 -8.387
137 HA LEU 15 HA LEU 15 9.160 -1.225 -9.152
138 1HB LEU 15 1HB LEU 15 10.064 -1.115 -7.048
139 2HB LEU 15 2HB LEU 15 8.574 -0.564 -6.316
140 HG LEU 15 HG LEU 15 7.666 -2.849 -6.439
141 1HD1 LEU 15 1HD1 LEU 15 10.309 -2.467 -5.059
142 2HD1 LEU 15 2HD1 LEU 15 8.689 -2.244 -4.395
143 3HD1 LEU 15 3HD1 LEU 15 9.267 -3.864 -4.786
144 1HD2 LEU 15 1HD2 LEU 15 9.868 -3.251 -8.206
145 2HD2 LEU 15 2HD2 LEU 15 9.998 -4.365 -6.845
146 3HD2 LEU 15 3HD2 LEU 15 8.532 -4.336 -7.823
147 H GLU 16 H GLU 16 7.953 -2.527 -10.328
148 HA GLU 16 HA GLU 16 5.116 -2.769 -9.953
149 1HB GLU 16 1HB GLU 16 5.205 -4.248 -11.905
150 2HB GLU 16 2HB GLU 16 6.085 -2.753 -12.200
151 1HG GLU 16 1HG GLU 16 8.193 -3.914 -11.753
152 2HG GLU 16 2HG GLU 16 7.304 -5.410 -11.481
153 H VAL 17 H VAL 17 3.984 -4.430 -9.086
154 HA VAL 17 HA VAL 17 5.252 -6.951 -8.443
155 HB VAL 17 HB VAL 17 4.540 -6.840 -6.035
156 1HG1 VAL 17 1HG1 VAL 17 3.154 -4.670 -6.648
157 2HG1 VAL 17 2HG1 VAL 17 3.803 -4.942 -5.031
158 3HG1 VAL 17 3HG1 VAL 17 4.653 -3.883 -6.157
159 1HG2 VAL 17 1HG2 VAL 17 6.890 -6.536 -6.830
160 2HG2 VAL 17 2HG2 VAL 17 6.628 -4.795 -6.741
161 3HG2 VAL 17 3HG2 VAL 17 6.527 -5.778 -5.280
162 H GLU 18 H GLU 18 3.820 -8.591 -8.452
163 HA GLU 18 HA GLU 18 1.245 -8.248 -9.459
164 1HB GLU 18 1HB GLU 18 2.297 -10.600 -7.878
165 2HB GLU 18 2HB GLU 18 0.905 -10.612 -8.953
166 1HG GLU 18 1HG GLU 18 2.371 -10.104 -10.846
167 2HG GLU 18 2HG GLU 18 3.762 -10.116 -9.761
168 HA PRO 19 HA PRO 19 -1.266 -6.954 -6.052
169 1HB PRO 19 1HB PRO 19 -3.552 -8.383 -6.727
170 2HB PRO 19 2HB PRO 19 -3.122 -6.793 -7.354
171 1HG PRO 19 1HG PRO 19 -2.748 -9.479 -8.590
172 2HG PRO 19 2HG PRO 19 -3.209 -7.948 -9.352
173 1HD PRO 19 1HD PRO 19 -0.724 -8.915 -9.573
174 2HD PRO 19 2HD PRO 19 -1.020 -7.173 -9.406
175 H SER 20 H SER 20 -1.337 -10.366 -6.964
176 HA SER 20 HA SER 20 -2.345 -11.361 -4.538
177 1HB SER 20 1HB SER 20 -2.368 -12.653 -6.612
178 2HB SER 20 2HB SER 20 -0.607 -12.718 -6.607
179 HG SER 20 HG SER 20 -1.771 -13.598 -4.279
180 H ASP 21 H ASP 21 0.862 -10.438 -5.540
181 HA ASP 21 HA ASP 21 2.442 -11.826 -3.737
182 1HB ASP 21 1HB ASP 21 3.329 -10.411 -5.555
183 2HB ASP 21 2HB ASP 21 2.815 -8.973 -4.679
184 H THR 22 H THR 22 2.810 -11.725 -1.608
185 HA THR 22 HA THR 22 1.035 -10.387 0.107
186 HB THR 22 HB THR 22 2.496 -11.127 1.942
187 HG1 THR 22 HG1 THR 22 4.280 -12.599 0.723
188 1HG2 THR 22 1HG2 THR 22 0.905 -12.665 0.614
189 2HG2 THR 22 2HG2 THR 22 2.380 -13.370 -0.047
190 3HG2 THR 22 3HG2 THR 22 2.086 -13.410 1.691
191 H ILE 23 H ILE 23 1.238 -8.630 1.437
192 HA ILE 23 HA ILE 23 2.575 -6.380 0.504
193 HB ILE 23 HB ILE 23 1.655 -6.907 3.334
194 1HG1 ILE 23 1HG1 ILE 23 0.222 -5.595 1.011
195 2HG1 ILE 23 2HG1 ILE 23 -0.136 -7.191 1.661
196 1HG2 ILE 23 1HG2 ILE 23 2.254 -4.322 1.903
197 2HG2 ILE 23 2HG2 ILE 23 1.527 -4.455 3.505
198 3HG2 ILE 23 3HG2 ILE 23 3.174 -5.026 3.234
199 1HD1 ILE 23 1HD1 ILE 23 -0.231 -4.868 3.509
200 2HD1 ILE 23 2HD1 ILE 23 -1.540 -5.082 2.344
201 3HD1 ILE 23 3HD1 ILE 23 -1.177 -6.357 3.508
202 H GLU 24 H GLU 24 3.588 -8.778 2.874
203 HA GLU 24 HA GLU 24 5.811 -7.398 3.899
204 1HB GLU 24 1HB GLU 24 6.594 -9.614 4.650
205 2HB GLU 24 2HB GLU 24 4.902 -9.337 5.033
206 1HG GLU 24 1HG GLU 24 4.243 -10.694 3.112
207 2HG GLU 24 2HG GLU 24 5.941 -10.971 2.729
208 H ASN 25 H ASN 25 5.430 -9.430 1.049
209 HA ASN 25 HA ASN 25 8.219 -9.615 0.483
210 1HB ASN 25 1HB ASN 25 5.797 -10.094 -1.256
211 2HB ASN 25 2HB ASN 25 7.449 -10.430 -1.755
212 1HD2 ASN 25 2HD2 ASN 25 7.380 -11.011 1.464
213 2HD2 ASN 25 1HD2 ASN 25 7.027 -12.699 1.449
214 H VAL 26 H VAL 26 5.588 -7.620 -0.867
215 HA VAL 26 HA VAL 26 7.105 -6.279 -2.778
216 HB VAL 26 HB VAL 26 5.410 -4.504 -2.698
217 1HG1 VAL 26 1HG1 VAL 26 5.100 -7.036 -3.559
218 2HG1 VAL 26 2HG1 VAL 26 3.729 -6.903 -2.459
219 3HG1 VAL 26 3HG1 VAL 26 3.903 -5.763 -3.794
220 1HG2 VAL 26 1HG2 VAL 26 5.099 -4.506 -0.240
221 2HG2 VAL 26 2HG2 VAL 26 3.584 -4.544 -1.143
222 3HG2 VAL 26 3HG2 VAL 26 4.202 -6.017 -0.395
223 H LYS 27 H LYS 27 6.525 -5.459 0.628
224 HA LYS 27 HA LYS 27 7.944 -3.015 0.592
225 1HB LYS 27 1HB LYS 27 7.331 -4.916 2.860
226 2HB LYS 27 2HB LYS 27 8.065 -3.335 3.081
227 1HG LYS 27 1HG LYS 27 6.071 -2.295 2.081
228 2HG LYS 27 2HG LYS 27 5.334 -3.892 1.946
229 1HD LYS 27 1HD LYS 27 5.397 -4.165 4.349
230 2HD LYS 27 2HD LYS 27 6.248 -2.632 4.529
231 1HE LYS 27 1HE LYS 27 4.317 -1.449 3.615
232 2HE LYS 27 2HE LYS 27 3.466 -2.980 3.422
233 1HZ LYS 27 1HZ LYS 27 4.465 -2.087 6.056
234 2HZ LYS 27 2HZ LYS 27 2.950 -1.609 5.476
235 3HZ LYS 27 3HZ LYS 27 3.283 -3.249 5.716
236 H ALA 28 H ALA 28 8.889 -6.345 1.203
237 HA ALA 28 HA ALA 28 11.450 -5.970 2.198
238 1HB ALA 28 1HB ALA 28 10.885 -8.198 0.288
239 2HB ALA 28 2HB ALA 28 11.818 -8.212 1.784
240 3HB ALA 28 3HB ALA 28 10.057 -8.135 1.844
241 H LYS 29 H LYS 29 10.299 -5.931 -1.131
242 HA LYS 29 HA LYS 29 12.842 -5.880 -2.373
243 1HB LYS 29 1HB LYS 29 10.321 -4.651 -3.492
244 2HB LYS 29 2HB LYS 29 11.678 -5.333 -4.379
245 1HG LYS 29 1HG LYS 29 9.662 -6.836 -2.727
246 2HG LYS 29 2HG LYS 29 9.811 -6.840 -4.487
247 1HD LYS 29 1HD LYS 29 12.005 -7.886 -4.311
248 2HD LYS 29 2HD LYS 29 11.897 -7.847 -2.553
249 1HE LYS 29 1HE LYS 29 11.333 -10.049 -3.236
250 2HE LYS 29 2HE LYS 29 9.837 -9.262 -2.741
251 1HZ LYS 29 1HZ LYS 29 10.761 -9.568 -5.545
252 2HZ LYS 29 2HZ LYS 29 9.582 -10.523 -4.795
253 3HZ LYS 29 3HZ LYS 29 9.301 -8.875 -5.049
254 H ILE 30 H ILE 30 10.639 -3.386 -1.214
255 HA ILE 30 HA ILE 30 11.926 -1.142 -2.250
256 HB ILE 30 HB ILE 30 10.532 -1.355 0.423
257 1HG1 ILE 30 1HG1 ILE 30 9.435 -0.605 -2.298
258 2HG1 ILE 30 2HG1 ILE 30 9.123 -2.121 -1.459
259 1HG2 ILE 30 1HG2 ILE 30 11.377 0.973 -1.284
260 2HG2 ILE 30 2HG2 ILE 30 10.074 1.113 -0.101
261 3HG2 ILE 30 3HG2 ILE 30 11.700 0.680 0.428
262 1HD1 ILE 30 1HD1 ILE 30 8.180 -0.644 0.416
263 2HD1 ILE 30 2HD1 ILE 30 8.140 0.625 -0.808
264 3HD1 ILE 30 3HD1 ILE 30 7.225 -0.863 -1.051
265 H GLN 31 H GLN 31 12.630 -3.119 0.574
266 HA GLN 31 HA GLN 31 14.546 -1.471 1.799
267 1HB GLN 31 1HB GLN 31 14.449 -4.497 1.704
268 2HB GLN 31 2HB GLN 31 15.382 -3.538 2.845
269 1HG GLN 31 1HG GLN 31 13.313 -2.623 3.767
270 2HG GLN 31 2HG GLN 31 12.381 -3.593 2.629
271 1HE2 GLN 31 2HE2 GLN 31 11.554 -5.343 3.495
272 2HE2 GLN 31 1HE2 GLN 31 12.248 -6.286 4.763
273 H ASP 32 H ASP 32 14.749 -3.963 -0.681
274 HA ASP 32 HA ASP 32 17.544 -3.793 -1.083
275 1HB ASP 32 1HB ASP 32 15.342 -4.764 -2.913
276 2HB ASP 32 2HB ASP 32 17.060 -4.975 -3.223
277 H LYS 33 H LYS 33 14.752 -2.160 -2.322
278 HA LYS 33 HA LYS 33 15.946 -0.793 -4.480
279 1HB LYS 33 1HB LYS 33 13.469 -0.272 -2.838
280 2HB LYS 33 2HB LYS 33 13.926 0.731 -4.209
281 1HG LYS 33 1HG LYS 33 13.375 -2.228 -4.313
282 2HG LYS 33 2HG LYS 33 12.253 -0.955 -4.797
283 1HD LYS 33 1HD LYS 33 13.854 -0.212 -6.506
284 2HD LYS 33 2HD LYS 33 14.947 -1.514 -6.036
285 1HE LYS 33 1HE LYS 33 13.249 -3.162 -6.650
286 2HE LYS 33 2HE LYS 33 12.155 -1.864 -7.118
287 1HZ LYS 33 1HZ LYS 33 14.606 -1.513 -8.442
288 2HZ LYS 33 2HZ LYS 33 14.097 -3.109 -8.678
289 3HZ LYS 33 3HZ LYS 33 13.084 -1.825 -9.110
290 H GLU 34 H GLU 34 15.924 -0.265 -1.063
291 HA GLU 34 HA GLU 34 17.721 1.992 -1.397
292 1HB GLU 34 1HB GLU 34 15.517 3.060 -1.315
293 2HB GLU 34 2HB GLU 34 15.159 2.229 0.193
294 1HG GLU 34 1HG GLU 34 15.786 4.533 0.598
295 2HG GLU 34 2HG GLU 34 16.970 3.430 1.294
296 H GLY 35 H GLY 35 15.831 0.973 1.447
297 1HA GLY 35 1HA GLY 35 18.352 0.539 2.861
298 2HA GLY 35 2HA GLY 35 17.279 -0.841 2.716
299 H ILE 36 H ILE 36 14.845 -0.030 3.274
300 HA ILE 36 HA ILE 36 15.073 0.959 6.006
301 HB ILE 36 HB ILE 36 12.694 2.074 5.270
302 1HG1 ILE 36 1HG1 ILE 36 13.218 3.458 3.251
303 2HG1 ILE 36 2HG1 ILE 36 14.647 2.466 2.990
304 1HG2 ILE 36 1HG2 ILE 36 15.352 2.962 5.986
305 2HG2 ILE 36 2HG2 ILE 36 14.509 4.141 4.982
306 3HG2 ILE 36 3HG2 ILE 36 13.777 3.580 6.486
307 1HD1 ILE 36 1HD1 ILE 36 12.392 0.758 3.243
308 2HD1 ILE 36 2HD1 ILE 36 12.025 2.030 2.079
309 3HD1 ILE 36 3HD1 ILE 36 13.448 1.012 1.853
310 HA PRO 37 HA PRO 37 12.749 -2.668 7.061
311 1HB PRO 37 1HB PRO 37 11.573 -0.644 8.934
312 2HB PRO 37 2HB PRO 37 12.073 -2.308 9.262
313 1HG PRO 37 1HG PRO 37 13.647 -0.279 9.939
314 2HG PRO 37 2HG PRO 37 14.337 -1.761 9.251
315 1HD PRO 37 1HD PRO 37 13.999 0.916 8.018
316 2HD PRO 37 2HD PRO 37 15.202 -0.342 7.678
317 HA PRO 38 HA PRO 38 8.976 -2.202 4.758
318 1HB PRO 38 1HB PRO 38 7.650 -4.373 5.801
319 2HB PRO 38 2HB PRO 38 8.864 -4.469 4.524
320 1HG PRO 38 1HG PRO 38 9.162 -4.948 7.461
321 2HG PRO 38 2HG PRO 38 9.842 -5.862 6.104
322 1HD PRO 38 1HD PRO 38 11.324 -4.116 7.499
323 2HD PRO 38 2HD PRO 38 11.532 -4.314 5.746
324 H ASP 39 H ASP 39 8.815 -2.790 8.250
325 HA ASP 39 HA ASP 39 6.152 -2.090 8.675
326 1HB ASP 39 1HB ASP 39 7.569 -3.174 10.375
327 2HB ASP 39 2HB ASP 39 8.508 -1.693 10.536
328 H GLN 40 H GLN 40 9.035 -0.106 8.384
329 HA GLN 40 HA GLN 40 7.986 2.313 9.301
330 1HB GLN 40 1HB GLN 40 10.135 1.751 7.262
331 2HB GLN 40 2HB GLN 40 9.791 3.351 7.901
332 1HG GLN 40 1HG GLN 40 10.488 2.752 10.065
333 2HG GLN 40 2HG GLN 40 10.480 1.033 9.675
334 1HE2 GLN 40 2HE2 GLN 40 11.679 2.261 6.990
335 2HE2 GLN 40 1HE2 GLN 40 13.367 2.273 7.347
336 H GLN 41 H GLN 41 8.044 0.937 6.024
337 HA GLN 41 HA GLN 41 6.989 3.096 4.635
338 1HB GLN 41 1HB GLN 41 6.724 0.130 4.172
339 2HB GLN 41 2HB GLN 41 6.054 1.315 3.062
340 1HG GLN 41 1HG GLN 41 8.180 0.550 2.251
341 2HG GLN 41 2HG GLN 41 8.299 2.242 2.719
342 1HE2 GLN 41 2HE2 GLN 41 9.696 -0.761 2.954
343 2HE2 GLN 41 1HE2 GLN 41 10.767 -0.461 4.274
344 H ARG 42 H ARG 42 5.089 4.087 4.649
345 HA ARG 42 HA ARG 42 2.943 2.996 6.239
346 1HB ARG 42 1HB ARG 42 3.201 5.660 4.856
347 2HB ARG 42 2HB ARG 42 1.884 5.202 5.923
348 1HG ARG 42 1HG ARG 42 3.451 4.987 7.780
349 2HG ARG 42 2HG ARG 42 4.782 5.431 6.710
350 1HD ARG 42 1HD ARG 42 3.731 7.604 6.306
351 2HD ARG 42 2HD ARG 42 2.404 7.160 7.379
352 HE ARG 42 HE ARG 42 4.802 6.897 8.792
353 1HH1 ARG 42 1HH1 ARG 42 2.829 9.387 7.362
354 2HH1 ARG 42 2HH1 ARG 42 3.331 10.609 8.484
355 1HH2 ARG 42 1HH2 ARG 42 5.468 8.499 10.274
356 2HH2 ARG 42 2HH2 ARG 42 4.831 10.104 10.138
357 H LEU 43 H LEU 43 1.188 2.008 5.445
358 HA LEU 43 HA LEU 43 0.917 1.650 2.612
359 1HB LEU 43 1HB LEU 43 -0.752 0.767 4.953
360 2HB LEU 43 2HB LEU 43 -1.222 0.448 3.296
361 HG LEU 43 HG LEU 43 1.217 -0.589 4.731
362 1HD1 LEU 43 1HD1 LEU 43 1.719 0.073 2.391
363 2HD1 LEU 43 2HD1 LEU 43 1.872 -1.660 2.690
364 3HD1 LEU 43 3HD1 LEU 43 0.453 -1.032 1.852
365 1HD2 LEU 43 1HD2 LEU 43 -0.993 -1.688 5.140
366 2HD2 LEU 43 2HD2 LEU 43 -1.052 -2.070 3.419
367 3HD2 LEU 43 3HD2 LEU 43 0.230 -2.740 4.427
368 H ILE 44 H ILE 44 -0.318 2.732 1.221
369 HA ILE 44 HA ILE 44 -2.523 4.361 2.215
370 HB ILE 44 HB ILE 44 -0.313 5.494 0.506
371 1HG1 ILE 44 1HG1 ILE 44 -1.228 6.185 3.307
372 2HG1 ILE 44 2HG1 ILE 44 0.248 5.318 2.901
373 1HG2 ILE 44 1HG2 ILE 44 -2.664 6.218 -0.062
374 2HG2 ILE 44 2HG2 ILE 44 -2.744 6.927 1.551
375 3HG2 ILE 44 3HG2 ILE 44 -1.553 7.512 0.388
376 1HD1 ILE 44 1HD1 ILE 44 -0.017 7.894 1.563
377 2HD1 ILE 44 2HD1 ILE 44 0.061 7.990 3.322
378 3HD1 ILE 44 3HD1 ILE 44 1.351 7.189 2.423
379 H PHE 45 H PHE 45 -4.246 4.313 0.921
380 HA PHE 45 HA PHE 45 -3.899 3.377 -1.849
381 1HB PHE 45 1HB PHE 45 -6.112 2.582 0.057
382 2HB PHE 45 2HB PHE 45 -6.014 2.121 -1.638
383 HD1 PHE 45 HD1 PHE 45 -3.852 1.982 1.412
384 HD2 PHE 45 HD2 PHE 45 -5.282 0.006 -2.075
385 HE1 PHE 45 HE1 PHE 45 -2.578 -0.029 2.035
386 HE2 PHE 45 HE2 PHE 45 -4.010 -2.007 -1.459
387 HZ PHE 45 HZ PHE 45 -2.656 -2.027 0.597
388 H ALA 46 H ALA 46 -5.275 4.282 -3.402
389 HA ALA 46 HA ALA 46 -7.299 6.191 -2.535
390 1HB ALA 46 1HB ALA 46 -6.251 8.091 -3.076
391 2HB ALA 46 2HB ALA 46 -5.559 7.400 -4.544
392 3HB ALA 46 3HB ALA 46 -4.768 7.139 -2.988
393 H GLY 47 H GLY 47 -9.023 6.018 -3.801
394 1HA GLY 47 1HA GLY 47 -10.372 5.348 -5.534
395 2HA GLY 47 2HA GLY 47 -9.052 4.325 -6.074
396 H LYS 48 H LYS 48 -11.025 6.229 -7.407
397 HA LYS 48 HA LYS 48 -9.260 7.141 -9.452
398 1HB LYS 48 1HB LYS 48 -11.577 6.381 -9.882
399 2HB LYS 48 2HB LYS 48 -12.179 7.788 -9.023
400 1HG LYS 48 1HG LYS 48 -12.301 8.151 -11.403
401 2HG LYS 48 2HG LYS 48 -11.117 9.245 -10.688
402 1HD LYS 48 1HD LYS 48 -9.310 7.755 -11.400
403 2HD LYS 48 2HD LYS 48 -10.494 6.662 -12.116
404 1HE LYS 48 1HE LYS 48 -9.478 8.085 -13.814
405 2HE LYS 48 2HE LYS 48 -11.203 8.417 -13.654
406 1HZ LYS 48 1HZ LYS 48 -9.241 10.025 -12.156
407 2HZ LYS 48 2HZ LYS 48 -9.558 10.373 -13.780
408 3HZ LYS 48 3HZ LYS 48 -10.809 10.436 -12.642
409 H GLN 49 H GLN 49 -7.873 8.436 -8.044
410 HA GLN 49 HA GLN 49 -8.801 10.857 -6.904
411 1HB GLN 49 1HB GLN 49 -6.035 10.104 -7.879
412 2HB GLN 49 2HB GLN 49 -6.407 11.501 -6.883
413 1HG GLN 49 1HG GLN 49 -6.823 8.628 -6.090
414 2HG GLN 49 2HG GLN 49 -5.482 9.651 -5.582
415 1HE2 GLN 49 2HE2 GLN 49 -5.698 10.440 -3.629
416 2HE2 GLN 49 1HE2 GLN 49 -7.182 10.840 -2.843
417 H LEU 50 H LEU 50 -9.974 12.084 -8.254
418 HA LEU 50 HA LEU 50 -9.849 12.419 -10.938
419 1HB LEU 50 1HB LEU 50 -10.443 14.580 -8.918
420 2HB LEU 50 2HB LEU 50 -10.830 14.671 -10.622
421 HG LEU 50 HG LEU 50 -12.843 14.103 -9.545
422 1HD1 LEU 50 1HD1 LEU 50 -12.140 12.701 -11.553
423 2HD1 LEU 50 2HD1 LEU 50 -11.843 11.404 -10.393
424 3HD1 LEU 50 3HD1 LEU 50 -13.460 12.089 -10.558
425 1HD2 LEU 50 1HD2 LEU 50 -11.305 13.116 -7.529
426 2HD2 LEU 50 2HD2 LEU 50 -13.055 12.938 -7.653
427 3HD2 LEU 50 3HD2 LEU 50 -11.995 11.643 -8.213
428 H GLU 51 H GLU 51 -7.614 12.247 -11.491
429 HA GLU 51 HA GLU 51 -5.624 13.068 -12.228
430 1HB GLU 51 1HB GLU 51 -7.092 14.635 -13.435
431 2HB GLU 51 2HB GLU 51 -7.054 15.728 -12.061
432 1HG GLU 51 1HG GLU 51 -5.547 16.500 -13.771
433 2HG GLU 51 2HG GLU 51 -4.633 15.991 -12.352
434 H1 GLY -1 H1 GLY -1 -2.034 -8.660 16.630
435 H2 GLY -1 H2 GLY -1 -3.363 -8.728 17.673
436 H3 GLY -1 H3 GLY -1 -3.326 -9.698 16.288
437 1HA GLY -1 1HA GLY -1 -3.512 -6.736 16.368
438 2HA GLY -1 2HA GLY -1 -4.800 -7.845 15.923
439 H SER 0 H SER 0 -3.121 -5.647 14.542
440 HA SER 0 HA SER 0 -1.795 -6.972 12.388
441 1HB SER 0 1HB SER 0 -4.525 -5.775 11.855
442 2HB SER 0 2HB SER 0 -3.387 -6.279 10.608
443 HG SER 0 HG SER 0 -4.166 -8.201 10.834
444 H MET 1 H MET 1 -3.238 -4.451 10.903
445 HA MET 1 HA MET 1 -1.884 -2.241 12.117
446 1HB MET 1 1HB MET 1 -0.451 -1.829 10.042
447 2HB MET 1 2HB MET 1 0.090 -3.086 11.145
448 1HG MET 1 1HG MET 1 -0.803 -4.796 9.699
449 2HG MET 1 2HG MET 1 -1.481 -3.575 8.625
450 1HE MET 1 1HE MET 1 -0.174 -1.706 7.844
451 2HE MET 1 2HE MET 1 1.583 -1.597 7.733
452 3HE MET 1 3HE MET 1 0.664 -2.378 6.445
453 H GLN 2 H GLN 2 -3.272 -0.643 11.823
454 HA GLN 2 HA GLN 2 -5.362 -0.654 9.958
455 1HB GLN 2 1HB GLN 2 -5.738 1.676 10.651
456 2HB GLN 2 2HB GLN 2 -5.482 0.620 12.030
457 1HG GLN 2 1HG GLN 2 -3.141 1.386 12.140
458 2HG GLN 2 2HG GLN 2 -3.472 2.499 10.817
459 1HE2 GLN 2 2HE2 GLN 2 -6.239 2.312 12.576
460 2HE2 GLN 2 1HE2 GLN 2 -6.003 3.660 13.629
461 H ILE 3 H ILE 3 -5.514 -0.016 7.915
462 HA ILE 3 HA ILE 3 -3.134 1.080 6.624
463 HB ILE 3 HB ILE 3 -4.238 0.454 4.508
464 1HG1 ILE 3 1HG1 ILE 3 -6.394 -0.690 6.289
465 2HG1 ILE 3 2HG1 ILE 3 -6.570 0.727 5.263
466 1HG2 ILE 3 1HG2 ILE 3 -4.031 -1.715 6.581
467 2HG2 ILE 3 2HG2 ILE 3 -4.142 -2.003 4.845
468 3HG2 ILE 3 3HG2 ILE 3 -2.756 -1.137 5.508
469 1HD1 ILE 3 1HD1 ILE 3 -5.646 -1.359 3.618
470 2HD1 ILE 3 2HD1 ILE 3 -6.944 -2.016 4.615
471 3HD1 ILE 3 3HD1 ILE 3 -7.231 -0.587 3.620
472 H PHE 4 H PHE 4 -3.040 3.086 5.808
473 HA PHE 4 HA PHE 4 -5.329 4.841 6.194
474 1HB PHE 4 1HB PHE 4 -2.491 5.428 5.309
475 2HB PHE 4 2HB PHE 4 -3.730 6.647 5.567
476 HD1 PHE 4 HD1 PHE 4 -3.397 7.860 7.463
477 HD2 PHE 4 HD2 PHE 4 -2.468 3.707 7.508
478 HE1 PHE 4 HE1 PHE 4 -2.734 8.038 9.825
479 HE2 PHE 4 HE2 PHE 4 -1.808 3.877 9.872
480 HZ PHE 4 HZ PHE 4 -1.940 6.045 11.033
481 H VAL 5 H VAL 5 -6.728 5.231 4.588
482 HA VAL 5 HA VAL 5 -5.762 5.468 1.865
483 HB VAL 5 HB VAL 5 -6.188 3.247 1.569
484 1HG1 VAL 5 1HG1 VAL 5 -7.869 4.864 0.299
485 2HG1 VAL 5 2HG1 VAL 5 -7.898 3.113 0.089
486 3HG1 VAL 5 3HG1 VAL 5 -9.049 3.889 1.176
487 1HG2 VAL 5 1HG2 VAL 5 -7.706 3.509 3.967
488 2HG2 VAL 5 2HG2 VAL 5 -8.633 2.587 2.781
489 3HG2 VAL 5 3HG2 VAL 5 -7.012 2.063 3.235
490 H LYS 6 H LYS 6 -6.776 7.011 0.795
491 HA LYS 6 HA LYS 6 -8.977 8.396 2.060
492 1HB LYS 6 1HB LYS 6 -7.125 9.654 1.038
493 2HB LYS 6 2HB LYS 6 -7.516 8.960 -0.528
494 1HG LYS 6 1HG LYS 6 -9.686 10.076 -0.489
495 2HG LYS 6 2HG LYS 6 -9.302 10.767 1.090
496 1HD LYS 6 1HD LYS 6 -7.764 11.257 -1.461
497 2HD LYS 6 2HD LYS 6 -8.923 12.370 -0.734
498 1HE LYS 6 1HE LYS 6 -6.357 11.411 0.529
499 2HE LYS 6 2HE LYS 6 -6.623 12.997 -0.194
500 1HZ LYS 6 1HZ LYS 6 -8.178 11.949 2.105
501 2HZ LYS 6 2HZ LYS 6 -6.824 12.950 2.261
502 3HZ LYS 6 3HZ LYS 6 -8.211 13.521 1.482
503 H THR 7 H THR 7 -11.068 8.128 1.580
504 HA THR 7 HA THR 7 -11.886 6.158 -0.301
505 HB THR 7 HB THR 7 -14.195 6.858 0.259
506 HG1 THR 7 HG1 THR 7 -13.883 8.478 2.259
507 1HG2 THR 7 1HG2 THR 7 -12.318 6.490 2.595
508 2HG2 THR 7 2HG2 THR 7 -14.072 6.328 2.686
509 3HG2 THR 7 3HG2 THR 7 -13.136 5.223 1.679
510 H LEU 8 H LEU 8 -14.258 7.424 -1.295
511 HA LEU 8 HA LEU 8 -13.120 8.680 -3.631
512 1HB LEU 8 1HB LEU 8 -15.994 8.055 -2.941
513 2HB LEU 8 2HB LEU 8 -15.429 8.623 -4.499
514 HG LEU 8 HG LEU 8 -15.818 6.250 -4.630
515 1HD1 LEU 8 1HD1 LEU 8 -13.844 7.194 -5.805
516 2HD1 LEU 8 2HD1 LEU 8 -12.849 6.680 -4.444
517 3HD1 LEU 8 3HD1 LEU 8 -13.701 5.481 -5.417
518 1HD2 LEU 8 1HD2 LEU 8 -14.943 6.220 -1.981
519 2HD2 LEU 8 2HD2 LEU 8 -15.483 4.853 -2.955
520 3HD2 LEU 8 3HD2 LEU 8 -13.771 5.268 -2.891
521 H THR 9 H THR 9 -15.459 9.574 -1.108
522 HA THR 9 HA THR 9 -15.790 12.241 -2.053
523 HB THR 9 HB THR 9 -16.933 12.660 0.089
524 HG1 THR 9 HG1 THR 9 -16.519 11.421 1.748
525 1HG2 THR 9 1HG2 THR 9 -17.610 10.158 -1.434
526 2HG2 THR 9 2HG2 THR 9 -18.631 10.749 -0.122
527 3HG2 THR 9 3HG2 THR 9 -18.354 11.752 -1.547
528 H GLY 10 H GLY 10 -13.894 10.794 0.588
529 1HA GLY 10 1HA GLY 10 -12.743 13.370 1.269
530 2HA GLY 10 2HA GLY 10 -11.644 12.257 0.471
531 H LYS 11 H LYS 11 -14.178 11.311 2.711
532 HA LYS 11 HA LYS 11 -12.867 11.306 5.116
533 1HB LYS 11 1HB LYS 11 -15.215 10.726 4.926
534 2HB LYS 11 2HB LYS 11 -14.811 9.249 4.061
535 1HG LYS 11 1HG LYS 11 -13.610 8.458 6.089
536 2HG LYS 11 2HG LYS 11 -14.199 9.888 6.938
537 1HD LYS 11 1HD LYS 11 -15.922 7.763 5.666
538 2HD LYS 11 2HD LYS 11 -15.596 7.926 7.391
539 1HE LYS 11 1HE LYS 11 -16.647 10.139 7.370
540 2HE LYS 11 2HE LYS 11 -16.989 9.955 5.652
541 1HZ LYS 11 1HZ LYS 11 -18.058 7.717 6.719
542 2HZ LYS 11 2HZ LYS 11 -18.372 8.860 7.925
543 3HZ LYS 11 3HZ LYS 11 -18.923 9.122 6.346
544 H THR 12 H THR 12 -11.266 10.220 6.043
545 HA THR 12 HA THR 12 -9.764 8.286 4.509
546 HB THR 12 HB THR 12 -9.317 9.205 7.353
547 HG1 THR 12 HG1 THR 12 -8.776 11.020 6.395
548 1HG2 THR 12 1HG2 THR 12 -7.499 7.845 5.363
549 2HG2 THR 12 2HG2 THR 12 -6.987 8.481 6.925
550 3HG2 THR 12 3HG2 THR 12 -8.139 7.149 6.852
551 H ILE 13 H ILE 13 -9.423 6.104 5.099
552 HA ILE 13 HA ILE 13 -11.250 5.090 7.171
553 HB ILE 13 HB ILE 13 -11.567 3.051 5.718
554 1HG1 ILE 13 1HG1 ILE 13 -10.572 4.929 3.563
555 2HG1 ILE 13 2HG1 ILE 13 -9.678 3.545 4.177
556 1HG2 ILE 13 1HG2 ILE 13 -12.729 5.730 5.402
557 2HG2 ILE 13 2HG2 ILE 13 -13.067 4.602 4.086
558 3HG2 ILE 13 3HG2 ILE 13 -13.506 4.180 5.741
559 1HD1 ILE 13 1HD1 ILE 13 -11.681 2.149 3.459
560 2HD1 ILE 13 2HD1 ILE 13 -12.184 3.573 2.547
561 3HD1 ILE 13 3HD1 ILE 13 -10.638 2.801 2.194
562 H THR 14 H THR 14 -10.331 3.908 8.648
563 HA THR 14 HA THR 14 -7.622 2.901 8.246
564 HB THR 14 HB THR 14 -7.996 2.250 10.766
565 HG1 THR 14 HG1 THR 14 -9.625 4.502 10.861
566 1HG2 THR 14 1HG2 THR 14 -6.684 4.251 9.513
567 2HG2 THR 14 2HG2 THR 14 -7.799 5.178 10.519
568 3HG2 THR 14 3HG2 THR 14 -6.694 4.021 11.261
569 H LEU 15 H LEU 15 -7.066 0.725 8.535
570 HA LEU 15 HA LEU 15 -9.051 -1.248 9.148
571 1HB LEU 15 1HB LEU 15 -9.663 -0.572 6.847
572 2HB LEU 15 2HB LEU 15 -8.061 -1.012 6.305
573 HG LEU 15 HG LEU 15 -10.029 -2.977 7.468
574 1HD1 LEU 15 1HD1 LEU 15 -9.516 -2.045 4.673
575 2HD1 LEU 15 2HD1 LEU 15 -10.045 -3.698 4.979
576 3HD1 LEU 15 3HD1 LEU 15 -11.052 -2.342 5.487
577 1HD2 LEU 15 1HD2 LEU 15 -7.272 -3.142 6.386
578 2HD2 LEU 15 2HD2 LEU 15 -8.037 -4.053 7.689
579 3HD2 LEU 15 3HD2 LEU 15 -8.393 -4.453 6.008
580 H GLU 16 H GLU 16 -7.890 -2.609 10.333
581 HA GLU 16 HA GLU 16 -5.060 -2.908 9.995
582 1HB GLU 16 1HB GLU 16 -5.251 -4.504 11.888
583 2HB GLU 16 2HB GLU 16 -5.963 -2.932 12.228
584 1HG GLU 16 1HG GLU 16 -8.184 -3.835 11.799
585 2HG GLU 16 2HG GLU 16 -7.478 -5.409 11.437
586 H VAL 17 H VAL 17 -3.927 -4.567 9.160
587 HA VAL 17 HA VAL 17 -5.156 -7.074 8.440
588 HB VAL 17 HB VAL 17 -4.230 -6.798 6.020
589 1HG1 VAL 17 1HG1 VAL 17 -6.786 -6.331 7.213
590 2HG1 VAL 17 2HG1 VAL 17 -6.587 -5.293 5.802
591 3HG1 VAL 17 3HG1 VAL 17 -6.399 -7.039 5.644
592 1HG2 VAL 17 1HG2 VAL 17 -3.533 -4.339 6.893
593 2HG2 VAL 17 2HG2 VAL 17 -3.822 -4.744 5.202
594 3HG2 VAL 17 3HG2 VAL 17 -5.100 -3.997 6.159
595 H GLU 18 H GLU 18 -3.704 -8.675 8.489
596 HA GLU 18 HA GLU 18 -1.116 -8.266 9.453
597 1HB GLU 18 1HB GLU 18 -2.178 -10.677 7.971
598 2HB GLU 18 2HB GLU 18 -0.760 -10.644 9.011
599 1HG GLU 18 1HG GLU 18 -2.167 -10.115 10.928
600 2HG GLU 18 2HG GLU 18 -3.591 -10.123 9.890
601 HA PRO 19 HA PRO 19 1.302 -6.984 5.967
602 1HB PRO 19 1HB PRO 19 3.591 -8.447 6.636
603 2HB PRO 19 2HB PRO 19 3.216 -6.812 7.173
604 1HG PRO 19 1HG PRO 19 2.822 -9.405 8.587
605 2HG PRO 19 2HG PRO 19 3.311 -7.832 9.240
606 1HD PRO 19 1HD PRO 19 0.826 -8.742 9.582
607 2HD PRO 19 2HD PRO 19 1.127 -7.022 9.253
608 H SER 20 H SER 20 1.362 -10.379 6.933
609 HA SER 20 HA SER 20 2.326 -11.429 4.512
610 1HB SER 20 1HB SER 20 2.360 -12.683 6.609
611 2HB SER 20 2HB SER 20 0.599 -12.727 6.627
612 HG SER 20 HG SER 20 1.723 -13.662 4.302
613 H ASP 21 H ASP 21 -0.869 -10.479 5.550
614 HA ASP 21 HA ASP 21 -2.469 -11.874 3.768
615 1HB ASP 21 1HB ASP 21 -3.342 -10.456 5.590
616 2HB ASP 21 2HB ASP 21 -2.832 -9.018 4.710
617 H THR 22 H THR 22 -2.841 -11.786 1.639
618 HA THR 22 HA THR 22 -1.088 -10.448 -0.091
619 HB THR 22 HB THR 22 -2.575 -11.182 -1.913
620 HG1 THR 22 HG1 THR 22 -4.324 -12.673 -0.650
621 1HG2 THR 22 1HG2 THR 22 -0.950 -12.713 -0.621
622 2HG2 THR 22 2HG2 THR 22 -2.407 -13.430 0.068
623 3HG2 THR 22 3HG2 THR 22 -2.147 -13.465 -1.676
624 H ILE 23 H ILE 23 -1.292 -8.687 -1.409
625 HA ILE 23 HA ILE 23 -2.624 -6.439 -0.472
626 HB ILE 23 HB ILE 23 -1.718 -6.965 -3.307
627 1HG1 ILE 23 1HG1 ILE 23 -0.268 -5.658 -0.993
628 2HG1 ILE 23 2HG1 ILE 23 0.077 -7.258 -1.640
629 1HG2 ILE 23 1HG2 ILE 23 -2.291 -4.376 -1.873
630 2HG2 ILE 23 2HG2 ILE 23 -1.589 -4.517 -3.483
631 3HG2 ILE 23 3HG2 ILE 23 -3.235 -5.077 -3.188
632 1HD1 ILE 23 1HD1 ILE 23 0.181 -4.924 -3.479
633 2HD1 ILE 23 2HD1 ILE 23 1.501 -5.178 -2.336
634 3HD1 ILE 23 3HD1 ILE 23 1.097 -6.431 -3.508
635 H GLU 24 H GLU 24 -3.652 -8.848 -2.819
636 HA GLU 24 HA GLU 24 -5.879 -7.472 -3.845
637 1HB GLU 24 1HB GLU 24 -6.661 -9.685 -4.590
638 2HB GLU 24 2HB GLU 24 -4.963 -9.428 -4.959
639 1HG GLU 24 1HG GLU 24 -4.335 -10.778 -3.025
640 2HG GLU 24 2HG GLU 24 -6.038 -11.035 -2.652
641 H ASN 25 H ASN 25 -5.483 -9.497 -0.990
642 HA ASN 25 HA ASN 25 -8.267 -9.672 -0.402
643 1HB ASN 25 1HB ASN 25 -5.834 -10.148 1.321
644 2HB ASN 25 2HB ASN 25 -7.483 -10.478 1.834
645 1HD2 ASN 25 2HD2 ASN 25 -7.442 -11.074 -1.383
646 2HD2 ASN 25 1HD2 ASN 25 -7.092 -12.762 -1.364
647 H VAL 26 H VAL 26 -5.622 -7.681 0.932
648 HA VAL 26 HA VAL 26 -7.127 -6.327 2.840
649 HB VAL 26 HB VAL 26 -5.429 -4.552 2.739
650 1HG1 VAL 26 1HG1 VAL 26 -5.113 -7.100 3.597
651 2HG1 VAL 26 2HG1 VAL 26 -3.728 -6.931 2.518
652 3HG1 VAL 26 3HG1 VAL 26 -3.942 -5.807 3.860
653 1HG2 VAL 26 1HG2 VAL 26 -5.127 -4.570 0.282
654 2HG2 VAL 26 2HG2 VAL 26 -3.607 -4.613 1.177
655 3HG2 VAL 26 3HG2 VAL 26 -4.239 -6.086 0.440
656 H LYS 27 H LYS 27 -6.571 -5.538 -0.576
657 HA LYS 27 HA LYS 27 -7.984 -3.088 -0.551
658 1HB LYS 27 1HB LYS 27 -7.376 -5.009 -2.801
659 2HB LYS 27 2HB LYS 27 -8.130 -3.440 -3.039
660 1HG LYS 27 1HG LYS 27 -6.143 -2.364 -2.065
661 2HG LYS 27 2HG LYS 27 -5.386 -3.949 -1.913
662 1HD LYS 27 1HD LYS 27 -5.464 -4.256 -4.314
663 2HD LYS 27 2HD LYS 27 -6.327 -2.731 -4.506
664 1HE LYS 27 1HE LYS 27 -4.398 -1.524 -3.616
665 2HE LYS 27 2HE LYS 27 -3.536 -3.046 -3.412
666 1HZ LYS 27 1HZ LYS 27 -4.556 -2.177 -6.048
667 2HZ LYS 27 2HZ LYS 27 -3.034 -1.702 -5.482
668 3HZ LYS 27 3HZ LYS 27 -3.377 -3.343 -5.709
669 H ALA 28 H ALA 28 -8.943 -6.424 -1.115
670 HA ALA 28 HA ALA 28 -11.514 -6.051 -2.088
671 1HB ALA 28 1HB ALA 28 -11.889 -8.286 -1.638
672 2HB ALA 28 2HB ALA 28 -10.938 -8.255 -0.153
673 3HB ALA 28 3HB ALA 28 -10.128 -8.219 -1.719
674 H LYS 29 H LYS 29 -10.308 -5.951 1.214
675 HA LYS 29 HA LYS 29 -12.802 -5.890 2.541
676 1HB LYS 29 1HB LYS 29 -10.350 -4.460 3.542
677 2HB LYS 29 2HB LYS 29 -11.587 -5.298 4.469
678 1HG LYS 29 1HG LYS 29 -9.617 -6.660 2.652
679 2HG LYS 29 2HG LYS 29 -9.400 -6.463 4.393
680 1HD LYS 29 1HD LYS 29 -11.488 -7.714 4.772
681 2HD LYS 29 2HD LYS 29 -11.636 -7.957 3.031
682 1HE LYS 29 1HE LYS 29 -9.643 -9.258 2.964
683 2HE LYS 29 2HE LYS 29 -9.247 -8.843 4.630
684 1HZ LYS 29 1HZ LYS 29 -11.812 -10.038 4.471
685 2HZ LYS 29 2HZ LYS 29 -10.648 -11.044 3.766
686 3HZ LYS 29 3HZ LYS 29 -10.460 -10.522 5.363
687 H ILE 30 H ILE 30 -10.634 -3.395 1.314
688 HA ILE 30 HA ILE 30 -11.921 -1.123 2.230
689 HB ILE 30 HB ILE 30 -10.532 -1.496 -0.426
690 1HG1 ILE 30 1HG1 ILE 30 -9.469 -0.552 2.247
691 2HG1 ILE 30 2HG1 ILE 30 -9.134 -2.110 1.503
692 1HG2 ILE 30 1HG2 ILE 30 -11.389 0.954 1.093
693 2HG2 ILE 30 2HG2 ILE 30 -10.094 1.002 -0.103
694 3HG2 ILE 30 3HG2 ILE 30 -11.721 0.526 -0.586
695 1HD1 ILE 30 1HD1 ILE 30 -8.216 -0.691 -0.459
696 2HD1 ILE 30 2HD1 ILE 30 -8.142 0.595 0.747
697 3HD1 ILE 30 3HD1 ILE 30 -7.245 -0.902 0.999
698 H GLN 31 H GLN 31 -12.669 -3.201 -0.510
699 HA GLN 31 HA GLN 31 -14.590 -1.583 -1.768
700 1HB GLN 31 1HB GLN 31 -14.498 -4.606 -1.584
701 2HB GLN 31 2HB GLN 31 -15.444 -3.681 -2.741
702 1HG GLN 31 1HG GLN 31 -13.383 -2.789 -3.708
703 2HG GLN 31 2HG GLN 31 -12.442 -3.736 -2.561
704 1HE2 GLN 31 2HE2 GLN 31 -11.618 -5.491 -3.417
705 2HE2 GLN 31 1HE2 GLN 31 -12.335 -6.465 -4.647
706 H ASP 32 H ASP 32 -14.807 -4.021 0.771
707 HA ASP 32 HA ASP 32 -17.600 -3.795 1.174
708 1HB ASP 32 1HB ASP 32 -15.439 -4.756 3.056
709 2HB ASP 32 2HB ASP 32 -17.166 -4.992 3.294
710 H LYS 33 H LYS 33 -14.781 -2.183 2.371
711 HA LYS 33 HA LYS 33 -15.923 -0.786 4.531
712 1HB LYS 33 1HB LYS 33 -13.479 -0.305 2.832
713 2HB LYS 33 2HB LYS 33 -13.905 0.734 4.188
714 1HG LYS 33 1HG LYS 33 -13.360 -2.223 4.345
715 2HG LYS 33 2HG LYS 33 -12.234 -0.941 4.794
716 1HD LYS 33 1HD LYS 33 -13.823 -0.169 6.505
717 2HD LYS 33 2HD LYS 33 -14.911 -1.487 6.073
718 1HE LYS 33 1HE LYS 33 -13.187 -3.109 6.697
719 2HE LYS 33 2HE LYS 33 -12.107 -1.788 7.137
720 1HZ LYS 33 1HZ LYS 33 -14.543 -1.433 8.477
721 2HZ LYS 33 2HZ LYS 33 -14.040 -3.029 8.721
722 3HZ LYS 33 3HZ LYS 33 -13.017 -1.748 9.137
723 H GLU 34 H GLU 34 -15.975 -0.271 1.106
724 HA GLU 34 HA GLU 34 -17.776 1.972 1.473
725 1HB GLU 34 1HB GLU 34 -15.593 3.073 1.424
726 2HB GLU 34 2HB GLU 34 -15.206 2.267 -0.090
727 1HG GLU 34 1HG GLU 34 -15.854 4.564 -0.479
728 2HG GLU 34 2HG GLU 34 -17.024 3.459 -1.196
729 H GLY 35 H GLY 35 -15.830 0.677 -1.240
730 1HA GLY 35 1HA GLY 35 -18.334 0.414 -2.761
731 2HA GLY 35 2HA GLY 35 -17.285 -0.983 -2.603
732 H ILE 36 H ILE 36 -14.819 -0.157 -3.050
733 HA ILE 36 HA ILE 36 -14.956 0.976 -5.758
734 HB ILE 36 HB ILE 36 -12.447 1.628 -4.493
735 1HG1 ILE 36 1HG1 ILE 36 -13.464 3.503 -3.076
736 2HG1 ILE 36 2HG1 ILE 36 -14.967 2.586 -3.144
737 1HG2 ILE 36 1HG2 ILE 36 -14.466 2.824 -6.219
738 2HG2 ILE 36 2HG2 ILE 36 -13.658 3.980 -5.160
739 3HG2 ILE 36 3HG2 ILE 36 -12.707 2.968 -6.249
740 1HD1 ILE 36 1HD1 ILE 36 -13.031 0.746 -2.365
741 2HD1 ILE 36 2HD1 ILE 36 -12.674 2.219 -1.463
742 3HD1 ILE 36 3HD1 ILE 36 -14.276 1.489 -1.358
743 HA PRO 37 HA PRO 37 -12.793 -2.714 -6.951
744 1HB PRO 37 1HB PRO 37 -11.550 -0.856 -8.928
745 2HB PRO 37 2HB PRO 37 -12.319 -2.423 -9.188
746 1HG PRO 37 1HG PRO 37 -13.593 -0.174 -9.814
747 2HG PRO 37 2HG PRO 37 -14.463 -1.535 -9.083
748 1HD PRO 37 1HD PRO 37 -13.578 1.033 -7.850
749 2HD PRO 37 2HD PRO 37 -15.037 0.074 -7.536
750 HA PRO 38 HA PRO 38 -8.964 -2.328 -4.730
751 1HB PRO 38 1HB PRO 38 -7.708 -4.519 -5.857
752 2HB PRO 38 2HB PRO 38 -8.827 -4.586 -4.496
753 1HG PRO 38 1HG PRO 38 -9.335 -5.103 -7.395
754 2HG PRO 38 2HG PRO 38 -9.954 -5.967 -5.976
755 1HD PRO 38 1HD PRO 38 -11.478 -4.221 -7.315
756 2HD PRO 38 2HD PRO 38 -11.570 -4.356 -5.546
757 H ASP 39 H ASP 39 -8.934 -2.857 -8.225
758 HA ASP 39 HA ASP 39 -6.257 -2.180 -8.697
759 1HB ASP 39 1HB ASP 39 -7.684 -3.312 -10.353
760 2HB ASP 39 2HB ASP 39 -8.641 -1.844 -10.531
761 H GLN 40 H GLN 40 -9.156 -0.194 -8.409
762 HA GLN 40 HA GLN 40 -8.049 2.182 -9.396
763 1HB GLN 40 1HB GLN 40 -10.309 1.737 -7.450
764 2HB GLN 40 2HB GLN 40 -9.919 3.293 -8.169
765 1HG GLN 40 1HG GLN 40 -10.315 2.371 -10.394
766 2HG GLN 40 2HG GLN 40 -10.695 0.807 -9.680
767 1HE2 GLN 40 2HE2 GLN 40 -11.875 2.915 -7.533
768 2HE2 GLN 40 1HE2 GLN 40 -13.484 3.095 -8.129
769 H GLN 41 H GLN 41 -8.153 0.867 -6.099
770 HA GLN 41 HA GLN 41 -7.153 3.085 -4.738
771 1HB GLN 41 1HB GLN 41 -6.861 0.132 -4.212
772 2HB GLN 41 2HB GLN 41 -6.194 1.341 -3.127
773 1HG GLN 41 1HG GLN 41 -8.312 0.580 -2.295
774 2HG GLN 41 2HG GLN 41 -8.443 2.263 -2.794
775 1HE2 GLN 41 2HE2 GLN 41 -9.830 -0.747 -2.960
776 2HE2 GLN 41 1HE2 GLN 41 -10.904 -0.481 -4.285
777 H ARG 42 H ARG 42 -5.242 4.091 -4.753
778 HA ARG 42 HA ARG 42 -3.111 3.018 -6.355
779 1HB ARG 42 1HB ARG 42 -3.365 5.648 -4.912
780 2HB ARG 42 2HB ARG 42 -2.020 5.209 -5.950
781 1HG ARG 42 1HG ARG 42 -3.548 5.007 -7.847
782 2HG ARG 42 2HG ARG 42 -4.896 5.459 -6.803
783 1HD ARG 42 1HD ARG 42 -3.830 7.621 -6.370
784 2HD ARG 42 2HD ARG 42 -2.489 7.167 -7.424
785 HE ARG 42 HE ARG 42 -4.872 6.924 -8.869
786 1HH1 ARG 42 1HH1 ARG 42 -2.883 9.394 -7.428
787 2HH1 ARG 42 2HH1 ARG 42 -3.360 10.618 -8.556
788 1HH2 ARG 42 1HH2 ARG 42 -5.506 8.528 -10.358
789 2HH2 ARG 42 2HH2 ARG 42 -4.853 10.126 -10.222
790 H LEU 43 H LEU 43 -1.359 2.007 -5.629
791 HA LEU 43 HA LEU 43 -1.057 1.529 -2.811
792 1HB LEU 43 1HB LEU 43 -0.455 0.113 -5.059
793 2HB LEU 43 2HB LEU 43 1.123 0.737 -4.624
794 HG LEU 43 HG LEU 43 1.009 -0.324 -2.458
795 1HD1 LEU 43 1HD1 LEU 43 -1.670 -0.068 -2.629
796 2HD1 LEU 43 2HD1 LEU 43 -1.487 -1.782 -3.012
797 3HD1 LEU 43 3HD1 LEU 43 -0.854 -1.145 -1.495
798 1HD2 LEU 43 1HD2 LEU 43 1.298 -1.629 -4.831
799 2HD2 LEU 43 2HD2 LEU 43 1.606 -2.335 -3.245
800 3HD2 LEU 43 3HD2 LEU 43 0.053 -2.593 -4.038
801 H ILE 44 H ILE 44 0.199 2.619 -1.417
802 HA ILE 44 HA ILE 44 2.477 4.150 -2.424
803 HB ILE 44 HB ILE 44 0.313 5.380 -0.719
804 1HG1 ILE 44 1HG1 ILE 44 1.238 6.028 -3.527
805 2HG1 ILE 44 2HG1 ILE 44 -0.257 5.196 -3.116
806 1HG2 ILE 44 1HG2 ILE 44 2.706 6.018 -0.188
807 2HG2 ILE 44 2HG2 ILE 44 2.770 6.735 -1.797
808 3HG2 ILE 44 3HG2 ILE 44 1.620 7.344 -0.607
809 1HD1 ILE 44 1HD1 ILE 44 0.035 7.744 -1.756
810 2HD1 ILE 44 2HD1 ILE 44 0.031 7.882 -3.514
811 3HD1 ILE 44 3HD1 ILE 44 -1.316 7.098 -2.687
812 H PHE 45 H PHE 45 4.175 4.260 -1.051
813 HA PHE 45 HA PHE 45 3.809 3.302 1.707
814 1HB PHE 45 1HB PHE 45 6.054 2.498 -0.161
815 2HB PHE 45 2HB PHE 45 5.935 2.057 1.537
816 HD1 PHE 45 HD1 PHE 45 3.831 1.853 -1.549
817 HD2 PHE 45 HD2 PHE 45 5.209 -0.053 1.996
818 HE1 PHE 45 HE1 PHE 45 2.590 -0.178 -2.164
819 HE2 PHE 45 HE2 PHE 45 3.970 -2.089 1.387
820 HZ PHE 45 HZ PHE 45 2.658 -2.153 -0.696
821 H ALA 46 H ALA 46 5.261 4.171 3.250
822 HA ALA 46 HA ALA 46 7.246 6.106 2.372
823 1HB ALA 46 1HB ALA 46 6.198 8.002 2.922
824 2HB ALA 46 2HB ALA 46 5.522 7.309 4.397
825 3HB ALA 46 3HB ALA 46 4.716 7.048 2.850
826 H GLY 47 H GLY 47 8.983 5.897 3.612
827 1HA GLY 47 1HA GLY 47 10.345 5.231 5.334
828 2HA GLY 47 2HA GLY 47 9.029 4.211 5.884
829 H LYS 48 H LYS 48 11.017 6.064 7.229
830 HA LYS 48 HA LYS 48 9.257 6.996 9.272
831 1HB LYS 48 1HB LYS 48 11.528 6.170 9.749
832 2HB LYS 48 2HB LYS 48 12.204 7.527 8.864
833 1HG LYS 48 1HG LYS 48 12.332 7.929 11.240
834 2HG LYS 48 2HG LYS 48 11.213 9.070 10.494
835 1HD LYS 48 1HD LYS 48 9.323 7.700 11.224
836 2HD LYS 48 2HD LYS 48 10.440 6.553 11.966
837 1HE LYS 48 1HE LYS 48 9.502 8.056 13.636
838 2HE LYS 48 2HE LYS 48 11.241 8.301 13.472
839 1HZ LYS 48 1HZ LYS 48 9.363 9.977 11.943
840 2HZ LYS 48 2HZ LYS 48 9.693 10.336 13.562
841 3HZ LYS 48 3HZ LYS 48 10.947 10.319 12.427
842 H GLN 49 H GLN 49 7.921 8.365 7.867
843 HA GLN 49 HA GLN 49 8.941 10.758 6.750
844 1HB GLN 49 1HB GLN 49 6.150 10.136 7.755
845 2HB GLN 49 2HB GLN 49 6.582 11.503 6.741
846 1HG GLN 49 1HG GLN 49 6.837 8.605 5.973
847 2HG GLN 49 2HG GLN 49 5.551 9.695 5.465
848 1HE2 GLN 49 2HE2 GLN 49 5.794 10.481 3.515
849 2HE2 GLN 49 1HE2 GLN 49 7.291 10.777 2.708
850 H LEU 50 H LEU 50 9.965 12.227 7.928
851 HA LEU 50 HA LEU 50 9.981 12.461 10.671
852 1HB LEU 50 1HB LEU 50 10.485 14.621 8.627
853 2HB LEU 50 2HB LEU 50 10.890 14.750 10.325
854 HG LEU 50 HG LEU 50 12.899 14.214 9.194
855 1HD1 LEU 50 1HD1 LEU 50 12.312 12.907 11.290
856 2HD1 LEU 50 2HD1 LEU 50 11.984 11.546 10.218
857 3HD1 LEU 50 3HD1 LEU 50 13.598 12.254 10.274
858 1HD2 LEU 50 1HD2 LEU 50 11.392 13.147 7.243
859 2HD2 LEU 50 2HD2 LEU 50 13.128 12.887 7.395
860 3HD2 LEU 50 3HD2 LEU 50 11.999 11.678 8.006
861 H GLU 51 H GLU 51 7.755 12.237 11.277
862 HA GLU 51 HA GLU 51 5.762 13.016 12.053
863 1HB GLU 51 1HB GLU 51 7.228 14.555 13.282
864 2HB GLU 51 2HB GLU 51 7.188 15.679 11.934
865 1HG GLU 51 1HG GLU 51 5.702 16.441 13.652
866 2HG GLU 51 2HG GLU 51 4.759 15.934 12.251
No H/Q in entry = 866
Start of MODEL 14
1 H1 GLY -1 H1 GLY -1 7.120 -8.171 -12.085
2 H2 GLY -1 H2 GLY -1 7.796 -7.562 -10.658
3 H3 GLY -1 H3 GLY -1 7.247 -9.160 -10.719
4 1HA GLY -1 1HA GLY -1 5.821 -6.832 -10.032
5 2HA GLY -1 2HA GLY -1 5.292 -8.504 -9.961
6 H SER 0 H SER 0 4.166 -5.772 -10.941
7 HA SER 0 HA SER 0 3.639 -6.069 -13.704
8 1HB SER 0 1HB SER 0 2.331 -8.003 -12.977
9 2HB SER 0 2HB SER 0 1.444 -6.993 -11.836
10 HG SER 0 HG SER 0 1.451 -6.730 -14.663
11 H MET 1 H MET 1 2.137 -4.986 -10.658
12 HA MET 1 HA MET 1 1.360 -2.496 -11.993
13 1HB MET 1 1HB MET 1 0.023 -2.101 -9.899
14 2HB MET 1 2HB MET 1 -0.474 -3.491 -10.854
15 1HG MET 1 1HG MET 1 0.656 -4.984 -9.332
16 2HG MET 1 2HG MET 1 1.271 -3.618 -8.407
17 1HE MET 1 1HE MET 1 -0.153 -1.806 -7.712
18 2HE MET 1 2HE MET 1 -1.915 -1.792 -7.818
19 3HE MET 1 3HE MET 1 -1.124 -2.300 -6.324
20 H GLN 2 H GLN 2 2.760 -0.925 -11.894
21 HA GLN 2 HA GLN 2 4.944 -0.751 -10.144
22 1HB GLN 2 1HB GLN 2 4.761 0.277 -12.402
23 2HB GLN 2 2HB GLN 2 3.616 1.438 -11.750
24 1HG GLN 2 1HG GLN 2 5.290 2.411 -10.367
25 2HG GLN 2 2HG GLN 2 6.444 1.146 -10.791
26 1HE2 GLN 2 2HE2 GLN 2 5.393 4.227 -11.488
27 2HE2 GLN 2 1HE2 GLN 2 6.142 4.427 -13.029
28 H ILE 3 H ILE 3 4.988 -0.200 -8.054
29 HA ILE 3 HA ILE 3 2.712 1.240 -6.905
30 HB ILE 3 HB ILE 3 3.484 0.480 -4.737
31 1HG1 ILE 3 1HG1 ILE 3 5.754 -0.860 -6.216
32 2HG1 ILE 3 2HG1 ILE 3 5.914 0.568 -5.203
33 1HG2 ILE 3 1HG2 ILE 3 2.049 -0.995 -6.051
34 2HG2 ILE 3 2HG2 ILE 3 3.476 -1.761 -6.750
35 3HG2 ILE 3 3HG2 ILE 3 3.150 -1.914 -5.023
36 1HD1 ILE 3 1HD1 ILE 3 4.603 -1.574 -3.786
37 2HD1 ILE 3 2HD1 ILE 3 6.175 -2.073 -4.416
38 3HD1 ILE 3 3HD1 ILE 3 6.053 -0.662 -3.367
39 H PHE 4 H PHE 4 2.891 3.105 -5.733
40 HA PHE 4 HA PHE 4 5.301 4.681 -6.185
41 1HB PHE 4 1HB PHE 4 2.600 5.432 -5.040
42 2HB PHE 4 2HB PHE 4 3.930 6.559 -5.267
43 HD1 PHE 4 HD1 PHE 4 3.528 7.995 -6.990
44 HD2 PHE 4 HD2 PHE 4 2.364 3.923 -7.410
45 HE1 PHE 4 HE1 PHE 4 2.754 8.457 -9.279
46 HE2 PHE 4 HE2 PHE 4 1.590 4.377 -9.701
47 HZ PHE 4 HZ PHE 4 1.785 6.647 -10.638
48 H VAL 5 H VAL 5 6.716 5.289 -4.603
49 HA VAL 5 HA VAL 5 6.004 4.913 -1.801
50 HB VAL 5 HB VAL 5 8.393 3.517 -3.016
51 1HG1 VAL 5 1HG1 VAL 5 8.700 4.498 -0.717
52 2HG1 VAL 5 2HG1 VAL 5 7.442 3.392 -0.164
53 3HG1 VAL 5 3HG1 VAL 5 8.942 2.755 -0.840
54 1HG2 VAL 5 1HG2 VAL 5 6.307 2.352 -3.497
55 2HG2 VAL 5 2HG2 VAL 5 7.285 1.447 -2.342
56 3HG2 VAL 5 3HG2 VAL 5 5.892 2.372 -1.783
57 H LYS 6 H LYS 6 6.898 6.412 -0.526
58 HA LYS 6 HA LYS 6 8.752 8.322 -1.720
59 1HB LYS 6 1HB LYS 6 7.333 8.422 0.951
60 2HB LYS 6 2HB LYS 6 8.221 9.738 0.196
61 1HG LYS 6 1HG LYS 6 5.725 8.471 -0.911
62 2HG LYS 6 2HG LYS 6 5.794 9.991 -0.018
63 1HD LYS 6 1HD LYS 6 7.243 10.940 -1.748
64 2HD LYS 6 2HD LYS 6 7.167 9.422 -2.643
65 1HE LYS 6 1HE LYS 6 4.813 11.179 -1.971
66 2HE LYS 6 2HE LYS 6 5.615 11.103 -3.538
67 1HZ LYS 6 1HZ LYS 6 4.923 8.500 -2.750
68 2HZ LYS 6 2HZ LYS 6 3.556 9.483 -2.580
69 3HZ LYS 6 3HZ LYS 6 4.348 9.387 -4.071
70 H THR 7 H THR 7 10.868 8.422 -1.211
71 HA THR 7 HA THR 7 11.980 6.456 0.568
72 HB THR 7 HB THR 7 14.170 7.477 -0.009
73 HG1 THR 7 HG1 THR 7 12.740 9.574 -0.598
74 1HG2 THR 7 1HG2 THR 7 12.240 6.489 -2.037
75 2HG2 THR 7 2HG2 THR 7 13.768 7.152 -2.620
76 3HG2 THR 7 3HG2 THR 7 13.767 5.794 -1.493
77 H LEU 8 H LEU 8 14.186 8.035 1.546
78 HA LEU 8 HA LEU 8 12.908 9.093 3.908
79 1HB LEU 8 1HB LEU 8 15.824 8.866 3.188
80 2HB LEU 8 2HB LEU 8 15.202 9.338 4.757
81 HG LEU 8 HG LEU 8 14.947 6.638 3.431
82 1HD1 LEU 8 1HD1 LEU 8 16.683 7.824 5.462
83 2HD1 LEU 8 2HD1 LEU 8 15.959 6.287 5.933
84 3HD1 LEU 8 3HD1 LEU 8 16.919 6.392 4.458
85 1HD2 LEU 8 1HD2 LEU 8 13.409 7.874 5.634
86 2HD2 LEU 8 2HD2 LEU 8 12.940 6.634 4.472
87 3HD2 LEU 8 3HD2 LEU 8 13.944 6.209 5.856
88 H THR 9 H THR 9 15.221 10.367 1.509
89 HA THR 9 HA THR 9 15.039 13.038 2.496
90 HB THR 9 HB THR 9 16.316 13.666 0.485
91 HG1 THR 9 HG1 THR 9 16.667 11.058 -0.354
92 1HG2 THR 9 1HG2 THR 9 17.229 12.310 2.607
93 2HG2 THR 9 2HG2 THR 9 17.665 11.170 1.335
94 3HG2 THR 9 3HG2 THR 9 18.273 12.824 1.281
95 H GLY 10 H GLY 10 13.678 11.364 -0.329
96 1HA GLY 10 1HA GLY 10 12.286 13.718 -1.235
97 2HA GLY 10 2HA GLY 10 11.237 12.567 -0.419
98 H LYS 11 H LYS 11 13.992 11.506 -2.241
99 HA LYS 11 HA LYS 11 13.144 11.254 -4.797
100 1HB LYS 11 1HB LYS 11 15.315 10.503 -4.299
101 2HB LYS 11 2HB LYS 11 14.742 9.367 -3.089
102 1HG LYS 11 1HG LYS 11 15.492 8.188 -5.054
103 2HG LYS 11 2HG LYS 11 13.748 7.998 -4.870
104 1HD LYS 11 1HD LYS 11 14.230 8.413 -7.182
105 2HD LYS 11 2HD LYS 11 13.433 9.835 -6.509
106 1HE LYS 11 1HE LYS 11 15.300 10.473 -7.933
107 2HE LYS 11 2HE LYS 11 15.588 10.940 -6.259
108 1HZ LYS 11 1HZ LYS 11 16.946 8.913 -6.019
109 2HZ LYS 11 2HZ LYS 11 16.752 8.605 -7.672
110 3HZ LYS 11 3HZ LYS 11 17.573 9.993 -7.160
111 H THR 12 H THR 12 11.636 10.221 -5.908
112 HA THR 12 HA THR 12 9.771 8.489 -4.493
113 HB THR 12 HB THR 12 9.672 9.457 -7.353
114 HG1 THR 12 HG1 THR 12 7.857 10.562 -5.660
115 1HG2 THR 12 1HG2 THR 12 7.579 8.204 -5.573
116 2HG2 THR 12 2HG2 THR 12 7.262 8.902 -7.161
117 3HG2 THR 12 3HG2 THR 12 8.307 7.489 -7.011
118 H ILE 13 H ILE 13 9.508 6.322 -4.912
119 HA ILE 13 HA ILE 13 11.293 5.174 -6.947
120 HB ILE 13 HB ILE 13 11.474 3.162 -5.422
121 1HG1 ILE 13 1HG1 ILE 13 10.540 5.187 -3.375
122 2HG1 ILE 13 2HG1 ILE 13 9.617 3.785 -3.908
123 1HG2 ILE 13 1HG2 ILE 13 12.787 5.778 -5.233
124 2HG2 ILE 13 2HG2 ILE 13 13.039 4.722 -3.838
125 3HG2 ILE 13 3HG2 ILE 13 13.478 4.167 -5.454
126 1HD1 ILE 13 1HD1 ILE 13 11.385 2.325 -3.023
127 2HD1 ILE 13 2HD1 ILE 13 12.232 3.751 -2.425
128 3HD1 ILE 13 3HD1 ILE 13 10.643 3.337 -1.783
129 H THR 14 H THR 14 10.481 3.741 -8.291
130 HA THR 14 HA THR 14 7.716 2.824 -7.854
131 HB THR 14 HB THR 14 7.731 2.628 -10.434
132 HG1 THR 14 HG1 THR 14 9.395 4.799 -10.585
133 1HG2 THR 14 1HG2 THR 14 7.382 5.026 -8.736
134 2HG2 THR 14 2HG2 THR 14 7.406 5.279 -10.481
135 3HG2 THR 14 3HG2 THR 14 6.224 4.184 -9.765
136 H LEU 15 H LEU 15 7.185 0.722 -8.332
137 HA LEU 15 HA LEU 15 8.930 -1.084 -9.648
138 1HB LEU 15 1HB LEU 15 9.689 -2.427 -7.848
139 2HB LEU 15 2HB LEU 15 10.099 -0.773 -7.446
140 HG LEU 15 HG LEU 15 7.809 -0.889 -6.113
141 1HD1 LEU 15 1HD1 LEU 15 10.418 -0.845 -5.425
142 2HD1 LEU 15 2HD1 LEU 15 9.094 -0.909 -4.261
143 3HD1 LEU 15 3HD1 LEU 15 9.931 -2.389 -4.728
144 1HD2 LEU 15 1HD2 LEU 15 7.852 -3.432 -7.085
145 2HD2 LEU 15 2HD2 LEU 15 8.588 -3.644 -5.496
146 3HD2 LEU 15 3HD2 LEU 15 6.985 -2.919 -5.637
147 H GLU 16 H GLU 16 7.639 -2.555 -10.557
148 HA GLU 16 HA GLU 16 4.892 -2.731 -9.776
149 1HB GLU 16 1HB GLU 16 4.626 -4.231 -11.665
150 2HB GLU 16 2HB GLU 16 5.557 -2.818 -12.138
151 1HG GLU 16 1HG GLU 16 6.836 -5.423 -11.372
152 2HG GLU 16 2HG GLU 16 6.343 -5.044 -13.021
153 H VAL 17 H VAL 17 3.785 -4.428 -8.895
154 HA VAL 17 HA VAL 17 5.162 -6.882 -8.181
155 HB VAL 17 HB VAL 17 4.321 -6.669 -5.782
156 1HG1 VAL 17 1HG1 VAL 17 3.142 -4.402 -6.631
157 2HG1 VAL 17 2HG1 VAL 17 3.558 -4.728 -4.948
158 3HG1 VAL 17 3HG1 VAL 17 4.633 -3.753 -5.950
159 1HG2 VAL 17 1HG2 VAL 17 6.604 -4.999 -6.791
160 2HG2 VAL 17 2HG2 VAL 17 6.321 -5.349 -5.085
161 3HG2 VAL 17 3HG2 VAL 17 6.655 -6.663 -6.212
162 H GLU 18 H GLU 18 3.814 -8.575 -8.215
163 HA GLU 18 HA GLU 18 1.179 -8.285 -9.151
164 1HB GLU 18 1HB GLU 18 2.424 -10.700 -7.832
165 2HB GLU 18 2HB GLU 18 0.996 -10.696 -8.854
166 1HG GLU 18 1HG GLU 18 2.346 -9.956 -10.746
167 2HG GLU 18 2HG GLU 18 3.779 -9.948 -9.720
168 HA PRO 19 HA PRO 19 -1.243 -7.334 -5.573
169 1HB PRO 19 1HB PRO 19 -3.421 -8.950 -6.280
170 2HB PRO 19 2HB PRO 19 -3.194 -7.261 -6.721
171 1HG PRO 19 1HG PRO 19 -2.638 -9.720 -8.299
172 2HG PRO 19 2HG PRO 19 -3.239 -8.147 -8.848
173 1HD PRO 19 1HD PRO 19 -0.706 -8.873 -9.273
174 2HD PRO 19 2HD PRO 19 -1.114 -7.198 -8.844
175 H SER 20 H SER 20 -0.979 -10.672 -6.662
176 HA SER 20 HA SER 20 -1.900 -11.910 -4.316
177 1HB SER 20 1HB SER 20 -1.748 -13.071 -6.460
178 2HB SER 20 2HB SER 20 0.008 -12.942 -6.421
179 HG SER 20 HG SER 20 -0.639 -14.974 -5.674
180 H ASP 21 H ASP 21 1.248 -10.704 -5.266
181 HA ASP 21 HA ASP 21 2.852 -11.977 -3.384
182 1HB ASP 21 1HB ASP 21 3.065 -9.272 -4.697
183 2HB ASP 21 2HB ASP 21 4.299 -9.883 -3.602
184 H THR 22 H THR 22 3.205 -11.745 -1.268
185 HA THR 22 HA THR 22 1.353 -10.461 0.384
186 HB THR 22 HB THR 22 2.895 -10.951 2.240
187 HG1 THR 22 HG1 THR 22 4.800 -12.324 1.119
188 1HG2 THR 22 1HG2 THR 22 1.426 -12.708 1.293
189 2HG2 THR 22 2HG2 THR 22 2.756 -13.216 0.250
190 3HG2 THR 22 3HG2 THR 22 2.906 -13.357 2.002
191 H ILE 23 H ILE 23 1.485 -8.659 1.718
192 HA ILE 23 HA ILE 23 2.510 -6.322 0.624
193 HB ILE 23 HB ILE 23 1.878 -6.860 3.531
194 1HG1 ILE 23 1HG1 ILE 23 0.164 -5.705 1.317
195 2HG1 ILE 23 2HG1 ILE 23 -0.006 -7.317 2.004
196 1HG2 ILE 23 1HG2 ILE 23 3.253 -4.854 3.204
197 2HG2 ILE 23 2HG2 ILE 23 2.065 -4.235 2.056
198 3HG2 ILE 23 3HG2 ILE 23 1.624 -4.454 3.750
199 1HD1 ILE 23 1HD1 ILE 23 -0.161 -4.968 3.820
200 2HD1 ILE 23 2HD1 ILE 23 -1.538 -5.349 2.784
201 3HD1 ILE 23 3HD1 ILE 23 -0.945 -6.544 3.937
202 H GLU 24 H GLU 24 3.853 -8.367 3.195
203 HA GLU 24 HA GLU 24 6.078 -6.787 3.813
204 1HB GLU 24 1HB GLU 24 7.050 -8.850 4.751
205 2HB GLU 24 2HB GLU 24 5.377 -8.630 5.237
206 1HG GLU 24 1HG GLU 24 4.669 -10.242 3.548
207 2HG GLU 24 2HG GLU 24 6.348 -10.461 3.055
208 H ASN 25 H ASN 25 5.553 -9.186 1.304
209 HA ASN 25 HA ASN 25 8.217 -9.476 0.465
210 1HB ASN 25 1HB ASN 25 6.493 -11.060 -0.186
211 2HB ASN 25 2HB ASN 25 5.647 -9.810 -1.090
212 1HD2 ASN 25 2HD2 ASN 25 5.875 -10.081 -3.170
213 2HD2 ASN 25 1HD2 ASN 25 7.310 -10.591 -3.988
214 H VAL 26 H VAL 26 5.636 -7.323 -0.762
215 HA VAL 26 HA VAL 26 7.235 -6.154 -2.775
216 HB VAL 26 HB VAL 26 5.569 -4.463 -3.016
217 1HG1 VAL 26 1HG1 VAL 26 5.065 -7.031 -3.404
218 2HG1 VAL 26 2HG1 VAL 26 3.820 -6.709 -2.197
219 3HG1 VAL 26 3HG1 VAL 26 3.854 -5.783 -3.698
220 1HG2 VAL 26 1HG2 VAL 26 5.219 -4.794 -0.201
221 2HG2 VAL 26 2HG2 VAL 26 4.639 -3.508 -1.258
222 3HG2 VAL 26 3HG2 VAL 26 3.666 -4.959 -1.019
223 H LYS 27 H LYS 27 6.614 -5.235 0.586
224 HA LYS 27 HA LYS 27 7.954 -2.759 0.514
225 1HB LYS 27 1HB LYS 27 7.588 -4.627 2.863
226 2HB LYS 27 2HB LYS 27 8.031 -2.928 2.961
227 1HG LYS 27 1HG LYS 27 5.867 -2.358 1.889
228 2HG LYS 27 2HG LYS 27 5.426 -4.065 1.972
229 1HD LYS 27 1HD LYS 27 6.055 -2.264 4.311
230 2HD LYS 27 2HD LYS 27 4.457 -2.846 3.838
231 1HE LYS 27 1HE LYS 27 5.196 -5.155 4.242
232 2HE LYS 27 2HE LYS 27 6.771 -4.549 4.752
233 1HZ LYS 27 1HZ LYS 27 4.268 -3.689 6.073
234 2HZ LYS 27 2HZ LYS 27 5.104 -5.078 6.560
235 3HZ LYS 27 3HZ LYS 27 5.854 -3.564 6.647
236 H ALA 28 H ALA 28 9.067 -6.044 1.155
237 HA ALA 28 HA ALA 28 11.634 -5.503 2.075
238 1HB ALA 28 1HB ALA 28 11.544 -7.795 0.283
239 2HB ALA 28 2HB ALA 28 10.211 -7.774 1.438
240 3HB ALA 28 3HB ALA 28 11.878 -7.722 2.014
241 H LYS 29 H LYS 29 10.361 -5.598 -1.203
242 HA LYS 29 HA LYS 29 12.822 -5.433 -2.578
243 1HB LYS 29 1HB LYS 29 10.219 -4.234 -3.529
244 2HB LYS 29 2HB LYS 29 11.531 -4.880 -4.503
245 1HG LYS 29 1HG LYS 29 11.032 -7.129 -3.666
246 2HG LYS 29 2HG LYS 29 9.698 -6.461 -2.720
247 1HD LYS 29 1HD LYS 29 8.611 -5.708 -4.775
248 2HD LYS 29 2HD LYS 29 9.951 -6.354 -5.727
249 1HE LYS 29 1HE LYS 29 8.094 -7.954 -3.970
250 2HE LYS 29 2HE LYS 29 8.035 -7.874 -5.730
251 1HZ LYS 29 1HZ LYS 29 10.381 -8.854 -4.200
252 2HZ LYS 29 2HZ LYS 29 9.182 -9.864 -4.836
253 3HZ LYS 29 3HZ LYS 29 10.144 -8.938 -5.874
254 H ILE 30 H ILE 30 10.584 -3.014 -1.326
255 HA ILE 30 HA ILE 30 11.756 -0.698 -2.332
256 HB ILE 30 HB ILE 30 10.447 -1.095 0.363
257 1HG1 ILE 30 1HG1 ILE 30 9.256 -0.204 -2.273
258 2HG1 ILE 30 2HG1 ILE 30 9.036 -1.788 -1.540
259 1HG2 ILE 30 1HG2 ILE 30 11.296 1.334 -1.155
260 2HG2 ILE 30 2HG2 ILE 30 9.873 1.410 -0.115
261 3HG2 ILE 30 3HG2 ILE 30 11.441 0.977 0.566
262 1HD1 ILE 30 1HD1 ILE 30 8.052 -0.546 0.449
263 2HD1 ILE 30 2HD1 ILE 30 7.981 0.855 -0.619
264 3HD1 ILE 30 3HD1 ILE 30 7.092 -0.612 -1.029
265 H GLN 31 H GLN 31 12.515 -2.662 0.465
266 HA GLN 31 HA GLN 31 14.477 -1.057 1.671
267 1HB GLN 31 1HB GLN 31 13.508 -2.925 2.846
268 2HB GLN 31 2HB GLN 31 14.025 -4.042 1.589
269 1HG GLN 31 1HG GLN 31 16.366 -3.585 2.199
270 2HG GLN 31 2HG GLN 31 15.791 -2.571 3.522
271 1HE2 GLN 31 2HE2 GLN 31 15.590 -3.524 5.415
272 2HE2 GLN 31 1HE2 GLN 31 15.399 -5.218 5.685
273 H ASP 32 H ASP 32 14.627 -3.667 -0.689
274 HA ASP 32 HA ASP 32 17.393 -3.723 -1.058
275 1HB ASP 32 1HB ASP 32 15.906 -5.501 -1.835
276 2HB ASP 32 2HB ASP 32 15.176 -4.400 -2.994
277 H LYS 33 H LYS 33 14.858 -1.769 -2.508
278 HA LYS 33 HA LYS 33 16.422 -0.558 -4.527
279 1HB LYS 33 1HB LYS 33 13.902 0.364 -3.142
280 2HB LYS 33 2HB LYS 33 14.620 1.197 -4.512
281 1HG LYS 33 1HG LYS 33 13.628 -1.642 -4.532
282 2HG LYS 33 2HG LYS 33 12.756 -0.245 -5.158
283 1HD LYS 33 1HD LYS 33 15.492 -1.001 -6.146
284 2HD LYS 33 2HD LYS 33 14.019 -1.671 -6.847
285 1HE LYS 33 1HE LYS 33 14.710 0.200 -8.174
286 2HE LYS 33 2HE LYS 33 13.243 0.642 -7.303
287 1HZ LYS 33 1HZ LYS 33 15.917 1.321 -6.249
288 2HZ LYS 33 2HZ LYS 33 15.134 2.319 -7.369
289 3HZ LYS 33 3HZ LYS 33 14.423 2.015 -5.865
290 H GLU 34 H GLU 34 15.649 0.381 -1.201
291 HA GLU 34 HA GLU 34 17.779 2.409 -1.382
292 1HB GLU 34 1HB GLU 34 15.562 3.466 -1.262
293 2HB GLU 34 2HB GLU 34 15.220 2.587 0.219
294 1HG GLU 34 1HG GLU 34 15.844 4.858 0.723
295 2HG GLU 34 2HG GLU 34 17.072 3.747 1.325
296 H GLY 35 H GLY 35 15.827 0.973 1.256
297 1HA GLY 35 1HA GLY 35 18.181 0.814 2.926
298 2HA GLY 35 2HA GLY 35 17.595 -0.745 2.372
299 H ILE 36 H ILE 36 15.600 2.040 3.220
300 HA ILE 36 HA ILE 36 15.029 1.616 5.825
301 HB ILE 36 HB ILE 36 12.534 2.218 4.963
302 1HG1 ILE 36 1HG1 ILE 36 12.769 3.743 3.027
303 2HG1 ILE 36 2HG1 ILE 36 14.446 3.242 2.844
304 1HG2 ILE 36 1HG2 ILE 36 14.205 3.439 6.460
305 2HG2 ILE 36 2HG2 ILE 36 14.692 4.297 4.997
306 3HG2 ILE 36 3HG2 ILE 36 13.029 4.411 5.574
307 1HD1 ILE 36 1HD1 ILE 36 13.689 0.959 2.373
308 2HD1 ILE 36 2HD1 ILE 36 12.017 1.510 2.489
309 3HD1 ILE 36 3HD1 ILE 36 13.068 2.139 1.220
310 HA PRO 37 HA PRO 37 13.497 -2.517 6.364
311 1HB PRO 37 1HB PRO 37 12.030 -1.027 8.505
312 2HB PRO 37 2HB PRO 37 12.886 -2.573 8.607
313 1HG PRO 37 1HG PRO 37 14.022 -0.375 9.541
314 2HG PRO 37 2HG PRO 37 14.984 -1.542 8.611
315 1HD PRO 37 1HD PRO 37 13.911 1.114 7.789
316 2HD PRO 37 2HD PRO 37 15.418 0.311 7.316
317 HA PRO 38 HA PRO 38 9.622 -2.481 4.178
318 1HB PRO 38 1HB PRO 38 9.105 -4.978 5.704
319 2HB PRO 38 2HB PRO 38 9.070 -4.697 3.962
320 1HG PRO 38 1HG PRO 38 11.088 -6.022 5.084
321 2HG PRO 38 2HG PRO 38 11.372 -4.888 3.753
322 1HD PRO 38 1HD PRO 38 11.854 -4.534 6.681
323 2HD PRO 38 2HD PRO 38 12.824 -3.977 5.302
324 H ASP 39 H ASP 39 9.666 -3.261 7.635
325 HA ASP 39 HA ASP 39 6.948 -2.921 8.171
326 1HB ASP 39 1HB ASP 39 9.324 -2.434 9.977
327 2HB ASP 39 2HB ASP 39 7.657 -2.577 10.520
328 H GLN 40 H GLN 40 9.583 -0.582 8.046
329 HA GLN 40 HA GLN 40 8.236 1.590 9.163
330 1HB GLN 40 1HB GLN 40 10.468 1.492 7.142
331 2HB GLN 40 2HB GLN 40 9.903 2.977 7.891
332 1HG GLN 40 1HG GLN 40 10.534 2.175 10.070
333 2HG GLN 40 2HG GLN 40 10.971 0.605 9.402
334 1HE2 GLN 40 2HE2 GLN 40 11.876 2.711 7.113
335 2HE2 GLN 40 1HE2 GLN 40 13.510 3.004 7.585
336 H GLN 41 H GLN 41 8.320 0.424 5.823
337 HA GLN 41 HA GLN 41 7.124 2.585 4.555
338 1HB GLN 41 1HB GLN 41 6.997 -0.372 3.995
339 2HB GLN 41 2HB GLN 41 6.193 0.800 2.962
340 1HG GLN 41 1HG GLN 41 8.329 0.183 2.031
341 2HG GLN 41 2HG GLN 41 8.339 1.879 2.512
342 1HE2 GLN 41 2HE2 GLN 41 10.005 -0.980 2.610
343 2HE2 GLN 41 1HE2 GLN 41 11.107 -0.616 3.890
344 H ARG 42 H ARG 42 5.194 3.510 4.726
345 HA ARG 42 HA ARG 42 3.148 2.231 6.309
346 1HB ARG 42 1HB ARG 42 3.289 5.007 5.139
347 2HB ARG 42 2HB ARG 42 2.004 4.426 6.185
348 1HG ARG 42 1HG ARG 42 3.617 4.085 7.986
349 2HG ARG 42 2HG ARG 42 4.909 4.666 6.936
350 1HD ARG 42 1HD ARG 42 3.796 6.835 6.761
351 2HD ARG 42 2HD ARG 42 2.497 6.254 7.804
352 HE ARG 42 HE ARG 42 4.928 5.923 9.149
353 1HH1 ARG 42 1HH1 ARG 42 2.857 8.481 8.005
354 2HH1 ARG 42 2HH1 ARG 42 3.342 9.599 9.236
355 1HH2 ARG 42 1HH2 ARG 42 5.571 7.387 10.773
356 2HH2 ARG 42 2HH2 ARG 42 4.886 8.977 10.808
357 H LEU 43 H LEU 43 1.359 1.290 5.526
358 HA LEU 43 HA LEU 43 1.031 1.019 2.696
359 1HB LEU 43 1HB LEU 43 -0.913 0.208 4.853
360 2HB LEU 43 2HB LEU 43 -0.855 -0.389 3.209
361 HG LEU 43 HG LEU 43 1.091 -0.946 5.435
362 1HD1 LEU 43 1HD1 LEU 43 1.793 -0.619 2.778
363 2HD1 LEU 43 2HD1 LEU 43 2.709 -1.484 4.011
364 3HD1 LEU 43 3HD1 LEU 43 1.595 -2.362 2.964
365 1HD2 LEU 43 1HD2 LEU 43 -0.661 -2.721 3.744
366 2HD2 LEU 43 2HD2 LEU 43 0.476 -3.273 4.975
367 3HD2 LEU 43 3HD2 LEU 43 -0.921 -2.302 5.437
368 H ILE 44 H ILE 44 -0.219 2.135 1.349
369 HA ILE 44 HA ILE 44 -2.415 3.751 2.391
370 HB ILE 44 HB ILE 44 -0.211 4.903 0.680
371 1HG1 ILE 44 1HG1 ILE 44 -1.104 5.608 3.484
372 2HG1 ILE 44 2HG1 ILE 44 0.339 4.684 3.087
373 1HG2 ILE 44 1HG2 ILE 44 -2.700 5.586 0.295
374 2HG2 ILE 44 2HG2 ILE 44 -2.481 6.494 1.790
375 3HG2 ILE 44 3HG2 ILE 44 -1.451 6.828 0.397
376 1HD1 ILE 44 1HD1 ILE 44 -0.163 7.506 2.195
377 2HD1 ILE 44 2HD1 ILE 44 0.780 7.050 3.614
378 3HD1 ILE 44 3HD1 ILE 44 1.322 6.573 2.004
379 H PHE 45 H PHE 45 -4.142 3.743 1.079
380 HA PHE 45 HA PHE 45 -3.783 2.864 -1.705
381 1HB PHE 45 1HB PHE 45 -5.982 1.949 0.164
382 2HB PHE 45 2HB PHE 45 -5.812 1.497 -1.528
383 HD1 PHE 45 HD1 PHE 45 -3.923 1.373 1.686
384 HD2 PHE 45 HD2 PHE 45 -4.767 -0.482 -2.049
385 HE1 PHE 45 HE1 PHE 45 -2.553 -0.562 2.343
386 HE2 PHE 45 HE2 PHE 45 -3.399 -2.421 -1.398
387 HZ PHE 45 HZ PHE 45 -2.291 -2.463 0.800
388 H ALA 46 H ALA 46 -5.248 3.724 -3.225
389 HA ALA 46 HA ALA 46 -7.362 5.484 -2.324
390 1HB ALA 46 1HB ALA 46 -5.848 7.186 -2.117
391 2HB ALA 46 2HB ALA 46 -4.787 6.544 -3.373
392 3HB ALA 46 3HB ALA 46 -6.284 7.364 -3.816
393 H GLY 47 H GLY 47 -9.002 5.268 -3.676
394 1HA GLY 47 1HA GLY 47 -10.224 4.783 -5.556
395 2HA GLY 47 2HA GLY 47 -8.877 3.770 -6.047
396 H LYS 48 H LYS 48 -8.678 4.263 -8.159
397 HA LYS 48 HA LYS 48 -7.367 6.618 -8.951
398 1HB LYS 48 1HB LYS 48 -8.931 4.651 -10.630
399 2HB LYS 48 2HB LYS 48 -7.829 5.869 -11.257
400 1HG LYS 48 1HG LYS 48 -5.991 4.796 -9.997
401 2HG LYS 48 2HG LYS 48 -7.118 3.532 -9.497
402 1HD LYS 48 1HD LYS 48 -7.504 2.951 -11.843
403 2HD LYS 48 2HD LYS 48 -6.374 4.213 -12.338
404 1HE LYS 48 1HE LYS 48 -4.573 3.070 -11.142
405 2HE LYS 48 2HE LYS 48 -5.700 1.811 -10.642
406 1HZ LYS 48 1HZ LYS 48 -5.752 2.187 -13.461
407 2HZ LYS 48 2HZ LYS 48 -4.184 1.840 -12.929
408 3HZ LYS 48 3HZ LYS 48 -5.453 0.778 -12.573
409 H GLN 49 H GLN 49 -8.011 8.525 -9.168
410 HA GLN 49 HA GLN 49 -10.582 9.161 -10.332
411 1HB GLN 49 1HB GLN 49 -11.101 10.796 -8.515
412 2HB GLN 49 2HB GLN 49 -11.192 9.119 -8.002
413 1HG GLN 49 1HG GLN 49 -8.992 9.310 -6.966
414 2HG GLN 49 2HG GLN 49 -8.890 10.989 -7.489
415 1HE2 GLN 49 2HE2 GLN 49 -12.045 10.478 -6.783
416 2HE2 GLN 49 1HE2 GLN 49 -12.066 10.993 -5.136
417 H LEU 50 H LEU 50 -9.675 10.123 -12.024
418 HA LEU 50 HA LEU 50 -7.346 11.484 -12.291
419 1HB LEU 50 1HB LEU 50 -9.983 11.977 -13.652
420 2HB LEU 50 2HB LEU 50 -8.514 12.806 -14.123
421 HG LEU 50 HG LEU 50 -8.960 10.922 -15.601
422 1HD1 LEU 50 1HD1 LEU 50 -8.870 9.283 -13.074
423 2HD1 LEU 50 2HD1 LEU 50 -10.210 9.448 -14.213
424 3HD1 LEU 50 3HD1 LEU 50 -8.740 8.601 -14.697
425 1HD2 LEU 50 1HD2 LEU 50 -6.557 10.996 -13.879
426 2HD2 LEU 50 2HD2 LEU 50 -6.766 9.581 -14.912
427 3HD2 LEU 50 3HD2 LEU 50 -6.714 11.193 -15.625
428 H GLU 51 H GLU 51 -7.036 12.584 -10.280
429 HA GLU 51 HA GLU 51 -7.473 15.373 -10.467
430 1HB GLU 51 1HB GLU 51 -9.743 14.801 -9.768
431 2HB GLU 51 2HB GLU 51 -9.113 13.917 -8.385
432 1HG GLU 51 1HG GLU 51 -9.946 16.055 -7.676
433 2HG GLU 51 2HG GLU 51 -8.196 16.009 -7.486
434 H1 GLY -1 H1 GLY -1 -7.140 -8.126 12.103
435 H2 GLY -1 H2 GLY -1 -7.852 -7.531 10.688
436 H3 GLY -1 H3 GLY -1 -7.211 -9.096 10.719
437 1HA GLY -1 1HA GLY -1 -5.919 -6.655 10.112
438 2HA GLY -1 2HA GLY -1 -5.318 -8.294 9.937
439 H SER 0 H SER 0 -4.276 -5.586 11.045
440 HA SER 0 HA SER 0 -3.707 -5.979 13.782
441 1HB SER 0 1HB SER 0 -2.377 -7.870 12.979
442 2HB SER 0 2HB SER 0 -1.512 -6.808 11.868
443 HG SER 0 HG SER 0 -1.484 -6.708 14.704
444 H MET 1 H MET 1 -2.346 -4.739 10.742
445 HA MET 1 HA MET 1 -1.627 -2.263 12.159
446 1HB MET 1 1HB MET 1 -0.130 -1.851 10.184
447 2HB MET 1 2HB MET 1 0.307 -3.242 11.167
448 1HG MET 1 1HG MET 1 -0.673 -4.742 9.555
449 2HG MET 1 2HG MET 1 -1.251 -3.383 8.597
450 1HE MET 1 1HE MET 1 0.201 -1.525 8.039
451 2HE MET 1 2HE MET 1 1.947 -1.492 8.285
452 3HE MET 1 3HE MET 1 1.285 -1.974 6.723
453 H GLN 2 H GLN 2 -2.961 -0.614 11.867
454 HA GLN 2 HA GLN 2 -5.043 -0.550 9.991
455 1HB GLN 2 1HB GLN 2 -3.763 1.669 11.592
456 2HB GLN 2 2HB GLN 2 -5.223 1.871 10.637
457 1HG GLN 2 1HG GLN 2 -6.366 0.221 12.003
458 2HG GLN 2 2HG GLN 2 -4.899 -0.021 12.947
459 1HE2 GLN 2 2HE2 GLN 2 -4.888 3.154 12.207
460 2HE2 GLN 2 1HE2 GLN 2 -5.701 3.790 13.588
461 H ILE 3 H ILE 3 -5.162 0.114 7.950
462 HA ILE 3 HA ILE 3 -2.770 1.303 6.729
463 HB ILE 3 HB ILE 3 -3.632 0.544 4.585
464 1HG1 ILE 3 1HG1 ILE 3 -5.954 -0.574 6.167
465 2HG1 ILE 3 2HG1 ILE 3 -6.030 0.790 5.062
466 1HG2 ILE 3 1HG2 ILE 3 -2.260 -0.985 5.932
467 2HG2 ILE 3 2HG2 ILE 3 -3.730 -1.674 6.624
468 3HG2 ILE 3 3HG2 ILE 3 -3.401 -1.848 4.899
469 1HD1 ILE 3 1HD1 ILE 3 -4.943 -1.636 3.865
470 2HD1 ILE 3 2HD1 ILE 3 -6.610 -1.785 4.427
471 3HD1 ILE 3 3HD1 ILE 3 -6.177 -0.524 3.272
472 H PHE 4 H PHE 4 -2.876 3.226 5.632
473 HA PHE 4 HA PHE 4 -5.259 4.829 6.102
474 1HB PHE 4 1HB PHE 4 -2.531 5.551 5.008
475 2HB PHE 4 2HB PHE 4 -3.846 6.701 5.207
476 HD1 PHE 4 HD1 PHE 4 -3.496 8.107 6.969
477 HD2 PHE 4 HD2 PHE 4 -2.363 4.023 7.359
478 HE1 PHE 4 HE1 PHE 4 -2.785 8.529 9.286
479 HE2 PHE 4 HE2 PHE 4 -1.652 4.437 9.677
480 HZ PHE 4 HZ PHE 4 -1.863 6.692 10.644
481 H VAL 5 H VAL 5 -6.729 5.314 4.577
482 HA VAL 5 HA VAL 5 -6.019 5.018 1.755
483 HB VAL 5 HB VAL 5 -8.416 3.640 2.977
484 1HG1 VAL 5 1HG1 VAL 5 -8.695 4.579 0.662
485 2HG1 VAL 5 2HG1 VAL 5 -7.422 3.475 0.142
486 3HG1 VAL 5 3HG1 VAL 5 -8.927 2.837 0.802
487 1HG2 VAL 5 1HG2 VAL 5 -6.353 2.468 3.512
488 2HG2 VAL 5 2HG2 VAL 5 -7.301 1.555 2.338
489 3HG2 VAL 5 3HG2 VAL 5 -5.891 2.474 1.810
490 H LYS 6 H LYS 6 -6.963 6.483 0.470
491 HA LYS 6 HA LYS 6 -8.808 8.388 1.700
492 1HB LYS 6 1HB LYS 6 -7.354 8.550 -0.947
493 2HB LYS 6 2HB LYS 6 -8.260 9.845 -0.177
494 1HG LYS 6 1HG LYS 6 -5.770 8.569 0.933
495 2HG LYS 6 2HG LYS 6 -5.842 10.114 0.082
496 1HD LYS 6 1HD LYS 6 -7.319 11.001 1.820
497 2HD LYS 6 2HD LYS 6 -7.245 9.458 2.670
498 1HE LYS 6 1HE LYS 6 -4.894 11.250 2.085
499 2HE LYS 6 2HE LYS 6 -5.719 11.124 3.636
500 1HZ LYS 6 1HZ LYS 6 -5.006 8.549 2.807
501 2HZ LYS 6 2HZ LYS 6 -3.642 9.535 2.648
502 3HZ LYS 6 3HZ LYS 6 -4.429 9.416 4.140
503 H THR 7 H THR 7 -10.921 8.435 1.198
504 HA THR 7 HA THR 7 -11.988 6.510 -0.645
505 HB THR 7 HB THR 7 -14.197 7.474 -0.053
506 HG1 THR 7 HG1 THR 7 -12.760 9.574 0.623
507 1HG2 THR 7 1HG2 THR 7 -12.256 6.490 1.964
508 2HG2 THR 7 2HG2 THR 7 -13.789 7.124 2.558
509 3HG2 THR 7 3HG2 THR 7 -13.775 5.782 1.415
510 H LEU 8 H LEU 8 -14.208 8.068 -1.600
511 HA LEU 8 HA LEU 8 -12.946 9.214 -3.929
512 1HB LEU 8 1HB LEU 8 -15.772 8.607 -3.153
513 2HB LEU 8 2HB LEU 8 -15.429 9.608 -4.550
514 HG LEU 8 HG LEU 8 -14.237 7.800 -5.622
515 1HD1 LEU 8 1HD1 LEU 8 -16.781 7.959 -5.638
516 2HD1 LEU 8 2HD1 LEU 8 -16.052 6.438 -6.155
517 3HD1 LEU 8 3HD1 LEU 8 -16.748 6.580 -4.540
518 1HD2 LEU 8 1HD2 LEU 8 -14.347 6.609 -2.937
519 2HD2 LEU 8 2HD2 LEU 8 -14.613 5.500 -4.283
520 3HD2 LEU 8 3HD2 LEU 8 -13.133 6.455 -4.206
521 H THR 9 H THR 9 -15.261 10.377 -1.478
522 HA THR 9 HA THR 9 -15.126 13.079 -2.396
523 HB THR 9 HB THR 9 -16.425 13.631 -0.379
524 HG1 THR 9 HG1 THR 9 -16.748 11.004 0.396
525 1HG2 THR 9 1HG2 THR 9 -17.294 12.293 -2.541
526 2HG2 THR 9 2HG2 THR 9 -17.740 11.141 -1.283
527 3HG2 THR 9 3HG2 THR 9 -18.356 12.792 -1.226
528 H GLY 10 H GLY 10 -13.748 11.350 0.393
529 1HA GLY 10 1HA GLY 10 -12.399 13.708 1.354
530 2HA GLY 10 2HA GLY 10 -11.330 12.593 0.519
531 H LYS 11 H LYS 11 -14.072 11.475 2.350
532 HA LYS 11 HA LYS 11 -13.184 11.189 4.890
533 1HB LYS 11 1HB LYS 11 -15.370 10.441 4.330
534 2HB LYS 11 2HB LYS 11 -14.752 9.243 3.205
535 1HG LYS 11 1HG LYS 11 -15.530 8.161 5.207
536 2HG LYS 11 2HG LYS 11 -13.775 8.009 5.099
537 1HD LYS 11 1HD LYS 11 -14.348 8.552 7.362
538 2HD LYS 11 2HD LYS 11 -13.577 9.959 6.629
539 1HE LYS 11 1HE LYS 11 -15.514 10.617 7.948
540 2HE LYS 11 2HE LYS 11 -15.761 10.966 6.240
541 1HZ LYS 11 1HZ LYS 11 -17.072 8.932 6.064
542 2HZ LYS 11 2HZ LYS 11 -16.859 8.637 7.717
543 3HZ LYS 11 3HZ LYS 11 -17.733 9.992 7.205
544 H THR 12 H THR 12 -11.651 10.139 5.964
545 HA THR 12 HA THR 12 -9.793 8.463 4.471
546 HB THR 12 HB THR 12 -9.635 9.460 7.323
547 HG1 THR 12 HG1 THR 12 -7.808 10.556 5.731
548 1HG2 THR 12 1HG2 THR 12 -7.554 8.167 5.556
549 2HG2 THR 12 2HG2 THR 12 -7.250 8.862 7.149
550 3HG2 THR 12 3HG2 THR 12 -8.299 7.454 6.985
551 H ILE 13 H ILE 13 -9.676 6.296 4.660
552 HA ILE 13 HA ILE 13 -11.416 5.031 6.663
553 HB ILE 13 HB ILE 13 -10.619 3.013 4.959
554 1HG1 ILE 13 1HG1 ILE 13 -11.217 5.500 3.346
555 2HG1 ILE 13 2HG1 ILE 13 -9.699 4.608 3.364
556 1HG2 ILE 13 1HG2 ILE 13 -13.081 4.618 5.358
557 2HG2 ILE 13 2HG2 ILE 13 -13.021 3.482 4.006
558 3HG2 ILE 13 3HG2 ILE 13 -12.772 2.902 5.655
559 1HD1 ILE 13 1HD1 ILE 13 -11.308 2.627 2.640
560 2HD1 ILE 13 2HD1 ILE 13 -12.252 3.981 2.020
561 3HD1 ILE 13 3HD1 ILE 13 -10.591 3.743 1.478
562 H THR 14 H THR 14 -10.615 3.839 8.223
563 HA THR 14 HA THR 14 -7.748 3.170 8.152
564 HB THR 14 HB THR 14 -9.394 3.083 10.666
565 HG1 THR 14 HG1 THR 14 -9.541 5.194 10.686
566 1HG2 THR 14 1HG2 THR 14 -6.492 3.628 10.042
567 2HG2 THR 14 2HG2 THR 14 -7.197 3.685 11.656
568 3HG2 THR 14 3HG2 THR 14 -7.160 2.163 10.764
569 H LEU 15 H LEU 15 -7.152 1.030 8.312
570 HA LEU 15 HA LEU 15 -8.996 -0.972 9.223
571 1HB LEU 15 1HB LEU 15 -10.070 -1.183 7.276
572 2HB LEU 15 2HB LEU 15 -8.896 -0.205 6.427
573 HG LEU 15 HG LEU 15 -7.442 -2.271 6.280
574 1HD1 LEU 15 1HD1 LEU 15 -9.995 -1.756 4.885
575 2HD1 LEU 15 2HD1 LEU 15 -8.350 -1.828 4.255
576 3HD1 LEU 15 3HD1 LEU 15 -9.232 -3.319 4.596
577 1HD2 LEU 15 1HD2 LEU 15 -8.980 -3.369 8.124
578 2HD2 LEU 15 2HD2 LEU 15 -9.893 -3.890 6.708
579 3HD2 LEU 15 3HD2 LEU 15 -8.195 -4.336 6.876
580 H GLU 16 H GLU 16 -7.735 -2.291 10.313
581 HA GLU 16 HA GLU 16 -4.935 -2.562 9.788
582 1HB GLU 16 1HB GLU 16 -4.970 -4.095 11.714
583 2HB GLU 16 2HB GLU 16 -5.777 -2.572 12.067
584 1HG GLU 16 1HG GLU 16 -7.949 -3.694 11.602
585 2HG GLU 16 2HG GLU 16 -7.075 -5.216 11.448
586 H VAL 17 H VAL 17 -3.833 -4.251 8.909
587 HA VAL 17 HA VAL 17 -5.194 -6.718 8.208
588 HB VAL 17 HB VAL 17 -4.448 -6.609 5.830
589 1HG1 VAL 17 1HG1 VAL 17 -6.775 -6.005 6.678
590 2HG1 VAL 17 2HG1 VAL 17 -6.303 -4.328 6.414
591 3HG1 VAL 17 3HG1 VAL 17 -6.334 -5.459 5.061
592 1HG2 VAL 17 1HG2 VAL 17 -3.483 -3.988 6.748
593 2HG2 VAL 17 2HG2 VAL 17 -2.886 -5.035 5.461
594 3HG2 VAL 17 3HG2 VAL 17 -4.286 -4.002 5.180
595 H GLU 18 H GLU 18 -3.833 -8.437 8.126
596 HA GLU 18 HA GLU 18 -1.226 -8.147 9.187
597 1HB GLU 18 1HB GLU 18 -2.439 -10.557 7.829
598 2HB GLU 18 2HB GLU 18 -1.033 -10.556 8.882
599 1HG GLU 18 1HG GLU 18 -2.430 -9.816 10.746
600 2HG GLU 18 2HG GLU 18 -3.841 -9.830 9.688
601 HA PRO 19 HA PRO 19 1.296 -7.244 5.673
602 1HB PRO 19 1HB PRO 19 3.452 -8.863 6.397
603 2HB PRO 19 2HB PRO 19 3.210 -7.189 6.885
604 1HG PRO 19 1HG PRO 19 2.624 -9.698 8.374
605 2HG PRO 19 2HG PRO 19 3.219 -8.143 8.982
606 1HD PRO 19 1HD PRO 19 0.673 -8.884 9.328
607 2HD PRO 19 2HD PRO 19 1.101 -7.194 8.989
608 H SER 20 H SER 20 1.026 -10.596 6.738
609 HA SER 20 HA SER 20 1.965 -11.807 4.384
610 1HB SER 20 1HB SER 20 1.815 -12.988 6.516
611 2HB SER 20 2HB SER 20 0.059 -12.867 6.478
612 HG SER 20 HG SER 20 0.724 -14.892 5.715
613 H ASP 21 H ASP 21 -1.193 -10.622 5.326
614 HA ASP 21 HA ASP 21 -2.783 -11.900 3.434
615 1HB ASP 21 1HB ASP 21 -3.009 -9.208 4.770
616 2HB ASP 21 2HB ASP 21 -4.230 -9.795 3.646
617 H THR 22 H THR 22 -3.124 -11.674 1.321
618 HA THR 22 HA THR 22 -1.278 -10.375 -0.327
619 HB THR 22 HB THR 22 -2.796 -10.896 -2.189
620 HG1 THR 22 HG1 THR 22 -4.707 -12.267 -1.093
621 1HG2 THR 22 1HG2 THR 22 -1.328 -12.639 -1.209
622 2HG2 THR 22 2HG2 THR 22 -2.669 -13.146 -0.182
623 3HG2 THR 22 3HG2 THR 22 -2.794 -13.299 -1.935
624 H ILE 23 H ILE 23 -1.438 -8.584 -1.683
625 HA ILE 23 HA ILE 23 -2.501 -6.256 -0.599
626 HB ILE 23 HB ILE 23 -1.855 -6.786 -3.504
627 1HG1 ILE 23 1HG1 ILE 23 -0.148 -5.625 -1.289
628 2HG1 ILE 23 2HG1 ILE 23 0.034 -7.234 -1.982
629 1HG2 ILE 23 1HG2 ILE 23 -3.244 -4.791 -3.173
630 2HG2 ILE 23 2HG2 ILE 23 -2.065 -4.171 -2.017
631 3HG2 ILE 23 3HG2 ILE 23 -1.617 -4.375 -3.710
632 1HD1 ILE 23 1HD1 ILE 23 0.153 -4.901 -3.814
633 2HD1 ILE 23 2HD1 ILE 23 1.529 -5.217 -2.756
634 3HD1 ILE 23 3HD1 ILE 23 0.991 -6.452 -3.893
635 H GLU 24 H GLU 24 -3.799 -8.343 -3.162
636 HA GLU 24 HA GLU 24 -6.039 -6.804 -3.816
637 1HB GLU 24 1HB GLU 24 -6.986 -8.898 -4.719
638 2HB GLU 24 2HB GLU 24 -5.318 -8.651 -5.213
639 1HG GLU 24 1HG GLU 24 -4.574 -10.226 -3.503
640 2HG GLU 24 2HG GLU 24 -6.248 -10.476 -3.009
641 H ASN 25 H ASN 25 -5.591 -9.294 -1.348
642 HA ASN 25 HA ASN 25 -8.259 -9.466 -0.487
643 1HB ASN 25 1HB ASN 25 -6.618 -11.133 0.160
644 2HB ASN 25 2HB ASN 25 -5.680 -9.924 1.028
645 1HD2 ASN 25 2HD2 ASN 25 -5.867 -10.152 3.116
646 2HD2 ASN 25 1HD2 ASN 25 -7.303 -10.583 3.977
647 H VAL 26 H VAL 26 -5.581 -7.417 0.569
648 HA VAL 26 HA VAL 26 -6.878 -6.127 2.696
649 HB VAL 26 HB VAL 26 -4.579 -5.352 0.927
650 1HG1 VAL 26 1HG1 VAL 26 -4.932 -6.769 3.414
651 2HG1 VAL 26 2HG1 VAL 26 -3.516 -6.661 2.368
652 3HG1 VAL 26 3HG1 VAL 26 -3.808 -5.421 3.589
653 1HG2 VAL 26 1HG2 VAL 26 -5.693 -3.274 1.529
654 2HG2 VAL 26 2HG2 VAL 26 -5.648 -3.734 3.230
655 3HG2 VAL 26 3HG2 VAL 26 -4.145 -3.432 2.359
656 H LYS 27 H LYS 27 -6.529 -5.181 -0.710
657 HA LYS 27 HA LYS 27 -7.945 -2.754 -0.499
658 1HB LYS 27 1HB LYS 27 -7.590 -4.503 -2.938
659 2HB LYS 27 2HB LYS 27 -8.017 -2.796 -2.933
660 1HG LYS 27 1HG LYS 27 -5.845 -2.279 -1.898
661 2HG LYS 27 2HG LYS 27 -5.420 -3.988 -1.982
662 1HD LYS 27 1HD LYS 27 -6.023 -2.186 -4.324
663 2HD LYS 27 2HD LYS 27 -4.429 -2.760 -3.835
664 1HE LYS 27 1HE LYS 27 -5.159 -5.074 -4.238
665 2HE LYS 27 2HE LYS 27 -6.727 -4.472 -4.771
666 1HZ LYS 27 1HZ LYS 27 -4.209 -3.612 -6.059
667 2HZ LYS 27 2HZ LYS 27 -5.033 -5.005 -6.553
668 3HZ LYS 27 3HZ LYS 27 -5.786 -3.494 -6.656
669 H ALA 28 H ALA 28 -8.978 -6.051 -1.169
670 HA ALA 28 HA ALA 28 -11.560 -5.567 -2.084
671 1HB ALA 28 1HB ALA 28 -11.735 -7.786 -2.075
672 2HB ALA 28 2HB ALA 28 -11.417 -7.887 -0.342
673 3HB ALA 28 3HB ALA 28 -10.073 -7.806 -1.482
674 H LYS 29 H LYS 29 -10.271 -5.517 1.171
675 HA LYS 29 HA LYS 29 -12.773 -5.508 2.524
676 1HB LYS 29 1HB LYS 29 -10.206 -4.276 3.528
677 2HB LYS 29 2HB LYS 29 -11.526 -4.937 4.478
678 1HG LYS 29 1HG LYS 29 -10.991 -7.179 3.663
679 2HG LYS 29 2HG LYS 29 -9.661 -6.504 2.717
680 1HD LYS 29 1HD LYS 29 -8.589 -5.724 4.771
681 2HD LYS 29 2HD LYS 29 -9.923 -6.379 5.722
682 1HE LYS 29 1HE LYS 29 -8.042 -7.968 3.981
683 2HE LYS 29 2HE LYS 29 -7.992 -7.877 5.741
684 1HZ LYS 29 1HZ LYS 29 -10.323 -8.890 4.211
685 2HZ LYS 29 2HZ LYS 29 -9.113 -9.885 4.849
686 3HZ LYS 29 3HZ LYS 29 -10.085 -8.968 5.884
687 H ILE 30 H ILE 30 -10.696 -3.091 1.115
688 HA ILE 30 HA ILE 30 -11.826 -0.801 2.254
689 HB ILE 30 HB ILE 30 -10.530 -1.075 -0.454
690 1HG1 ILE 30 1HG1 ILE 30 -9.343 -0.355 2.238
691 2HG1 ILE 30 2HG1 ILE 30 -9.103 -1.880 1.394
692 1HG2 ILE 30 1HG2 ILE 30 -11.363 1.268 1.209
693 2HG2 ILE 30 2HG2 ILE 30 -9.943 1.397 0.168
694 3HG2 ILE 30 3HG2 ILE 30 -11.516 1.013 -0.531
695 1HD1 ILE 30 1HD1 ILE 30 -8.094 -0.530 -0.484
696 2HD1 ILE 30 2HD1 ILE 30 -8.100 0.839 0.628
697 3HD1 ILE 30 3HD1 ILE 30 -7.169 -0.606 1.016
698 H GLN 31 H GLN 31 -12.715 -2.574 -0.722
699 HA GLN 31 HA GLN 31 -14.690 -0.699 -1.530
700 1HB GLN 31 1HB GLN 31 -15.468 -2.374 -3.072
701 2HB GLN 31 2HB GLN 31 -13.714 -2.433 -3.045
702 1HG GLN 31 1HG GLN 31 -13.795 -4.370 -1.576
703 2HG GLN 31 2HG GLN 31 -15.553 -4.302 -1.577
704 1HE2 GLN 31 2HE2 GLN 31 -14.731 -3.392 -4.583
705 2HE2 GLN 31 1HE2 GLN 31 -14.753 -4.924 -5.375
706 H ASP 32 H ASP 32 -14.763 -3.698 0.339
707 HA ASP 32 HA ASP 32 -17.521 -3.774 0.844
708 1HB ASP 32 1HB ASP 32 -15.981 -5.649 1.364
709 2HB ASP 32 2HB ASP 32 -15.249 -4.678 2.637
710 H LYS 33 H LYS 33 -14.874 -2.005 2.144
711 HA LYS 33 HA LYS 33 -16.175 -0.923 4.434
712 1HB LYS 33 1HB LYS 33 -13.659 -1.212 3.978
713 2HB LYS 33 2HB LYS 33 -13.792 0.256 3.022
714 1HG LYS 33 1HG LYS 33 -12.987 0.763 5.232
715 2HG LYS 33 2HG LYS 33 -14.590 1.459 5.000
716 1HD LYS 33 1HD LYS 33 -15.576 -0.433 6.212
717 2HD LYS 33 2HD LYS 33 -13.964 -1.109 6.455
718 1HE LYS 33 1HE LYS 33 -14.757 0.102 8.434
719 2HE LYS 33 2HE LYS 33 -13.312 0.839 7.742
720 1HZ LYS 33 1HZ LYS 33 -16.066 1.784 7.175
721 2HZ LYS 33 2HZ LYS 33 -15.084 2.438 8.388
722 3HZ LYS 33 3HZ LYS 33 -14.615 2.551 6.767
723 H GLU 34 H GLU 34 -15.812 0.018 1.080
724 HA GLU 34 HA GLU 34 -17.720 2.198 1.521
725 1HB GLU 34 1HB GLU 34 -15.532 3.270 1.498
726 2HB GLU 34 2HB GLU 34 -15.129 2.473 -0.012
727 1HG GLU 34 1HG GLU 34 -15.716 4.760 -0.440
728 2HG GLU 34 2HG GLU 34 -16.944 3.700 -1.124
729 H GLY 35 H GLY 35 -15.813 0.818 -1.192
730 1HA GLY 35 1HA GLY 35 -18.136 0.967 -2.913
731 2HA GLY 35 2HA GLY 35 -17.677 -0.665 -2.463
732 H ILE 36 H ILE 36 -15.386 1.928 -2.988
733 HA ILE 36 HA ILE 36 -14.815 1.690 -5.653
734 HB ILE 36 HB ILE 36 -12.295 1.936 -4.429
735 1HG1 ILE 36 1HG1 ILE 36 -12.772 3.803 -2.815
736 2HG1 ILE 36 2HG1 ILE 36 -14.474 3.355 -2.883
737 1HG2 ILE 36 1HG2 ILE 36 -13.318 3.109 -6.405
738 2HG2 ILE 36 2HG2 ILE 36 -14.098 4.190 -5.247
739 3HG2 ILE 36 3HG2 ILE 36 -12.336 4.104 -5.329
740 1HD1 ILE 36 1HD1 ILE 36 -12.236 1.571 -1.952
741 2HD1 ILE 36 2HD1 ILE 36 -13.359 2.447 -0.912
742 3HD1 ILE 36 3HD1 ILE 36 -13.954 1.170 -1.971
743 HA PRO 37 HA PRO 37 -13.421 -2.480 -6.301
744 1HB PRO 37 1HB PRO 37 -11.951 -1.164 -8.532
745 2HB PRO 37 2HB PRO 37 -13.024 -2.566 -8.568
746 1HG PRO 37 1HG PRO 37 -13.854 -0.213 -9.480
747 2HG PRO 37 2HG PRO 37 -14.945 -1.255 -8.546
748 1HD PRO 37 1HD PRO 37 -13.466 1.198 -7.688
749 2HD PRO 37 2HD PRO 37 -15.102 0.663 -7.262
750 HA PRO 38 HA PRO 38 -9.520 -2.515 -4.181
751 1HB PRO 38 1HB PRO 38 -9.072 -4.980 -5.797
752 2HB PRO 38 2HB PRO 38 -8.929 -4.737 -4.054
753 1HG PRO 38 1HG PRO 38 -11.025 -6.018 -5.070
754 2HG PRO 38 2HG PRO 38 -11.220 -4.897 -3.711
755 1HD PRO 38 1HD PRO 38 -11.888 -4.518 -6.596
756 2HD PRO 38 2HD PRO 38 -12.739 -3.930 -5.153
757 H ASP 39 H ASP 39 -9.614 -3.202 -7.655
758 HA ASP 39 HA ASP 39 -6.894 -2.831 -8.193
759 1HB ASP 39 1HB ASP 39 -9.264 -2.342 -10.007
760 2HB ASP 39 2HB ASP 39 -7.592 -2.506 -10.533
761 H GLN 40 H GLN 40 -9.552 -0.508 -8.002
762 HA GLN 40 HA GLN 40 -8.181 1.661 -9.124
763 1HB GLN 40 1HB GLN 40 -10.437 1.639 -7.122
764 2HB GLN 40 2HB GLN 40 -9.877 3.070 -7.977
765 1HG GLN 40 1HG GLN 40 -10.396 1.903 -10.118
766 2HG GLN 40 2HG GLN 40 -11.119 0.606 -9.172
767 1HE2 GLN 40 2HE2 GLN 40 -11.650 3.405 -7.523
768 2HE2 GLN 40 1HE2 GLN 40 -13.218 3.795 -8.127
769 H GLN 41 H GLN 41 -8.320 0.492 -5.786
770 HA GLN 41 HA GLN 41 -7.147 2.645 -4.488
771 1HB GLN 41 1HB GLN 41 -6.984 -0.316 -3.963
772 2HB GLN 41 2HB GLN 41 -6.204 0.855 -2.911
773 1HG GLN 41 1HG GLN 41 -8.336 0.197 -2.000
774 2HG GLN 41 2HG GLN 41 -8.370 1.896 -2.464
775 1HE2 GLN 41 2HE2 GLN 41 -9.989 -0.989 -2.604
776 2HE2 GLN 41 1HE2 GLN 41 -11.088 -0.628 -3.886
777 H ARG 42 H ARG 42 -5.199 3.569 -4.572
778 HA ARG 42 HA ARG 42 -3.152 2.331 -6.192
779 1HB ARG 42 1HB ARG 42 -3.331 5.099 -5.020
780 2HB ARG 42 2HB ARG 42 -2.022 4.536 -6.046
781 1HG ARG 42 1HG ARG 42 -3.606 4.169 -7.870
782 2HG ARG 42 2HG ARG 42 -4.918 4.744 -6.840
783 1HD ARG 42 1HD ARG 42 -3.821 6.921 -6.655
784 2HD ARG 42 2HD ARG 42 -2.506 6.347 -7.681
785 HE ARG 42 HE ARG 42 -4.918 5.996 -9.054
786 1HH1 ARG 42 1HH1 ARG 42 -2.876 8.570 -7.894
787 2HH1 ARG 42 2HH1 ARG 42 -3.356 9.682 -9.134
788 1HH2 ARG 42 1HH2 ARG 42 -5.554 7.450 -10.688
789 2HH2 ARG 42 2HH2 ARG 42 -4.879 9.045 -10.721
790 H LEU 43 H LEU 43 -1.378 1.389 -5.436
791 HA LEU 43 HA LEU 43 -0.973 1.098 -2.624
792 1HB LEU 43 1HB LEU 43 0.361 0.108 -5.090
793 2HB LEU 43 2HB LEU 43 1.276 0.067 -3.598
794 HG LEU 43 HG LEU 43 -0.316 -1.399 -2.572
795 1HD1 LEU 43 1HD1 LEU 43 -2.327 -0.346 -3.608
796 2HD1 LEU 43 2HD1 LEU 43 -1.974 -1.249 -5.081
797 3HD1 LEU 43 3HD1 LEU 43 -2.354 -2.111 -3.590
798 1HD2 LEU 43 1HD2 LEU 43 0.878 -2.062 -5.158
799 2HD2 LEU 43 2HD2 LEU 43 0.976 -2.900 -3.608
800 3HD2 LEU 43 3HD2 LEU 43 -0.424 -3.140 -4.655
801 H ILE 44 H ILE 44 0.257 2.235 -1.290
802 HA ILE 44 HA ILE 44 2.442 3.868 -2.331
803 HB ILE 44 HB ILE 44 0.233 4.997 -0.610
804 1HG1 ILE 44 1HG1 ILE 44 1.114 5.727 -3.411
805 2HG1 ILE 44 2HG1 ILE 44 -0.318 4.784 -3.018
806 1HG2 ILE 44 1HG2 ILE 44 2.712 5.696 -0.220
807 2HG2 ILE 44 2HG2 ILE 44 2.494 6.605 -1.715
808 3HG2 ILE 44 3HG2 ILE 44 1.458 6.930 -0.324
809 1HD1 ILE 44 1HD1 ILE 44 0.131 7.584 -2.039
810 2HD1 ILE 44 2HD1 ILE 44 -0.725 7.191 -3.530
811 3HD1 ILE 44 3HD1 ILE 44 -1.357 6.637 -1.979
812 H PHE 45 H PHE 45 4.179 3.814 -1.031
813 HA PHE 45 HA PHE 45 3.814 2.936 1.756
814 1HB PHE 45 1HB PHE 45 6.030 2.046 -0.106
815 2HB PHE 45 2HB PHE 45 5.845 1.576 1.580
816 HD1 PHE 45 HD1 PHE 45 3.913 1.507 -1.616
817 HD2 PHE 45 HD2 PHE 45 4.886 -0.451 2.035
818 HE1 PHE 45 HE1 PHE 45 2.569 -0.434 -2.304
819 HE2 PHE 45 HE2 PHE 45 3.543 -2.397 1.352
820 HZ PHE 45 HZ PHE 45 2.383 -2.390 -0.820
821 H ALA 46 H ALA 46 5.236 3.817 3.286
822 HA ALA 46 HA ALA 46 7.366 5.573 2.412
823 1HB ALA 46 1HB ALA 46 5.845 7.273 2.196
824 2HB ALA 46 2HB ALA 46 4.783 6.629 3.450
825 3HB ALA 46 3HB ALA 46 6.279 7.449 3.897
826 H GLY 47 H GLY 47 8.991 5.425 3.800
827 1HA GLY 47 1HA GLY 47 10.192 4.933 5.691
828 2HA GLY 47 2HA GLY 47 8.863 3.879 6.143
829 H LYS 48 H LYS 48 8.604 4.339 8.258
830 HA LYS 48 HA LYS 48 7.216 6.648 9.036
831 1HB LYS 48 1HB LYS 48 8.784 4.698 10.730
832 2HB LYS 48 2HB LYS 48 7.665 5.901 11.357
833 1HG LYS 48 1HG LYS 48 5.850 4.820 10.066
834 2HG LYS 48 2HG LYS 48 6.995 3.566 9.580
835 1HD LYS 48 1HD LYS 48 7.358 2.989 11.930
836 2HD LYS 48 2HD LYS 48 6.216 4.245 12.413
837 1HE LYS 48 1HE LYS 48 4.433 3.088 11.201
838 2HE LYS 48 2HE LYS 48 5.573 1.835 10.716
839 1HZ LYS 48 1HZ LYS 48 5.597 2.220 13.534
840 2HZ LYS 48 2HZ LYS 48 4.036 1.864 12.989
841 3HZ LYS 48 3HZ LYS 48 5.310 0.807 12.647
842 H GLN 49 H GLN 49 7.813 8.583 9.369
843 HA GLN 49 HA GLN 49 10.358 9.220 10.587
844 1HB GLN 49 1HB GLN 49 10.892 10.920 8.842
845 2HB GLN 49 2HB GLN 49 10.998 9.267 8.260
846 1HG GLN 49 1HG GLN 49 8.792 9.499 7.222
847 2HG GLN 49 2HG GLN 49 8.713 11.166 7.787
848 1HE2 GLN 49 2HE2 GLN 49 11.866 10.610 7.086
849 2HE2 GLN 49 1HE2 GLN 49 11.906 11.170 5.453
850 H LEU 50 H LEU 50 9.765 10.457 12.214
851 HA LEU 50 HA LEU 50 7.288 11.668 12.523
852 1HB LEU 50 1HB LEU 50 9.927 12.242 13.853
853 2HB LEU 50 2HB LEU 50 8.440 13.038 14.326
854 HG LEU 50 HG LEU 50 8.927 11.204 15.837
855 1HD1 LEU 50 1HD1 LEU 50 9.363 9.729 13.325
856 2HD1 LEU 50 2HD1 LEU 50 10.135 9.550 14.899
857 3HD1 LEU 50 3HD1 LEU 50 8.545 8.846 14.611
858 1HD2 LEU 50 1HD2 LEU 50 6.542 11.164 14.103
859 2HD2 LEU 50 2HD2 LEU 50 6.805 9.739 15.108
860 3HD2 LEU 50 3HD2 LEU 50 6.675 11.331 15.854
861 H GLU 51 H GLU 51 6.951 12.709 10.484
862 HA GLU 51 HA GLU 51 7.332 15.507 10.600
863 1HB GLU 51 1HB GLU 51 9.616 14.944 9.904
864 2HB GLU 51 2HB GLU 51 8.985 14.054 8.525
865 1HG GLU 51 1HG GLU 51 9.789 16.203 7.813
866 2HG GLU 51 2HG GLU 51 8.038 16.135 7.635
No H/Q in entry = 866
Start of MODEL 15
1 H1 GLY -1 H1 GLY -1 4.544 -4.220 -16.156
2 H2 GLY -1 H2 GLY -1 5.986 -3.892 -15.335
3 H3 GLY -1 H3 GLY -1 6.027 -4.639 -16.852
4 1HA GLY -1 1HA GLY -1 6.225 -5.978 -14.571
5 2HA GLY -1 2HA GLY -1 5.577 -6.670 -16.048
6 H SER 0 H SER 0 5.039 -6.852 -12.987
7 HA SER 0 HA SER 0 2.342 -7.607 -13.183
8 1HB SER 0 1HB SER 0 2.425 -7.804 -10.723
9 2HB SER 0 2HB SER 0 3.850 -8.519 -11.477
10 HG SER 0 HG SER 0 4.620 -6.140 -11.081
11 H MET 1 H MET 1 3.728 -4.874 -11.367
12 HA MET 1 HA MET 1 1.997 -2.909 -12.280
13 1HB MET 1 1HB MET 1 0.477 -2.657 -10.318
14 2HB MET 1 2HB MET 1 0.163 -4.097 -11.273
15 1HG MET 1 1HG MET 1 1.293 -5.473 -9.644
16 2HG MET 1 2HG MET 1 1.742 -4.048 -8.713
17 1HE MET 1 1HE MET 1 0.136 -2.344 -8.074
18 2HE MET 1 2HE MET 1 -1.538 -2.432 -8.628
19 3HE MET 1 3HE MET 1 -1.141 -2.824 -6.954
20 H GLN 2 H GLN 2 3.344 -1.263 -12.010
21 HA GLN 2 HA GLN 2 5.304 -1.163 -9.967
22 1HB GLN 2 1HB GLN 2 5.838 1.039 -10.863
23 2HB GLN 2 2HB GLN 2 5.636 -0.130 -12.157
24 1HG GLN 2 1HG GLN 2 3.354 0.728 -12.525
25 2HG GLN 2 2HG GLN 2 3.648 1.953 -11.294
26 1HE2 GLN 2 2HE2 GLN 2 4.130 3.851 -12.100
27 2HE2 GLN 2 1HE2 GLN 2 5.005 4.153 -13.558
28 H ILE 3 H ILE 3 5.255 -0.332 -8.004
29 HA ILE 3 HA ILE 3 2.785 0.920 -7.052
30 HB ILE 3 HB ILE 3 3.614 0.399 -4.804
31 1HG1 ILE 3 1HG1 ILE 3 6.026 -0.527 -6.350
32 2HG1 ILE 3 2HG1 ILE 3 5.959 0.595 -5.001
33 1HG2 ILE 3 1HG2 ILE 3 2.268 -1.251 -5.980
34 2HG2 ILE 3 2HG2 ILE 3 3.721 -1.945 -6.699
35 3HG2 ILE 3 3HG2 ILE 3 3.466 -2.042 -4.956
36 1HD1 ILE 3 1HD1 ILE 3 5.026 -2.095 -4.354
37 2HD1 ILE 3 2HD1 ILE 3 6.723 -1.999 -4.845
38 3HD1 ILE 3 3HD1 ILE 3 6.132 -1.028 -3.488
39 H PHE 4 H PHE 4 2.770 2.852 -5.887
40 HA PHE 4 HA PHE 4 5.018 4.625 -6.447
41 1HB PHE 4 1HB PHE 4 2.276 5.173 -5.290
42 2HB PHE 4 2HB PHE 4 3.500 6.405 -5.558
43 HD1 PHE 4 HD1 PHE 4 3.241 7.679 -7.427
44 HD2 PHE 4 HD2 PHE 4 1.895 3.644 -7.503
45 HE1 PHE 4 HE1 PHE 4 2.427 7.999 -9.726
46 HE2 PHE 4 HE2 PHE 4 1.079 3.955 -9.803
47 HZ PHE 4 HZ PHE 4 1.345 6.135 -10.917
48 H VAL 5 H VAL 5 6.514 5.151 -4.966
49 HA VAL 5 HA VAL 5 5.869 5.042 -2.126
50 HB VAL 5 HB VAL 5 8.139 3.419 -3.293
51 1HG1 VAL 5 1HG1 VAL 5 5.426 2.714 -2.316
52 2HG1 VAL 5 2HG1 VAL 5 6.384 2.002 -3.613
53 3HG1 VAL 5 3HG1 VAL 5 6.753 1.617 -1.933
54 1HG2 VAL 5 1HG2 VAL 5 8.722 4.486 -1.162
55 2HG2 VAL 5 2HG2 VAL 5 7.296 3.763 -0.417
56 3HG2 VAL 5 3HG2 VAL 5 8.601 2.734 -1.007
57 H LYS 6 H LYS 6 6.992 6.501 -0.939
58 HA LYS 6 HA LYS 6 8.994 8.111 -2.368
59 1HB LYS 6 1HB LYS 6 7.031 9.346 -1.570
60 2HB LYS 6 2HB LYS 6 7.331 8.785 0.069
61 1HG LYS 6 1HG LYS 6 9.446 10.002 0.105
62 2HG LYS 6 2HG LYS 6 9.155 10.559 -1.543
63 1HD LYS 6 1HD LYS 6 7.397 11.153 0.835
64 2HD LYS 6 2HD LYS 6 8.572 12.263 0.133
65 1HE LYS 6 1HE LYS 6 6.161 11.117 -1.269
66 2HE LYS 6 2HE LYS 6 6.309 12.757 -0.642
67 1HZ LYS 6 1HZ LYS 6 8.499 12.329 -2.287
68 2HZ LYS 6 2HZ LYS 6 7.159 11.734 -3.130
69 3HZ LYS 6 3HZ LYS 6 7.170 13.334 -2.582
70 H THR 7 H THR 7 11.066 8.117 -1.703
71 HA THR 7 HA THR 7 11.931 6.298 0.294
72 HB THR 7 HB THR 7 14.187 7.251 -0.074
73 HG1 THR 7 HG1 THR 7 14.125 9.301 -0.644
74 1HG2 THR 7 1HG2 THR 7 12.456 6.386 -2.345
75 2HG2 THR 7 2HG2 THR 7 14.108 6.902 -2.681
76 3HG2 THR 7 3HG2 THR 7 13.811 5.555 -1.582
77 H LEU 8 H LEU 8 14.048 7.855 1.483
78 HA LEU 8 HA LEU 8 12.508 9.032 3.635
79 1HB LEU 8 1HB LEU 8 15.500 8.743 3.418
80 2HB LEU 8 2HB LEU 8 14.581 9.097 4.868
81 HG LEU 8 HG LEU 8 13.452 6.776 4.357
82 1HD1 LEU 8 1HD1 LEU 8 16.070 6.603 2.886
83 2HD1 LEU 8 2HD1 LEU 8 15.125 5.205 3.400
84 3HD1 LEU 8 3HD1 LEU 8 14.452 6.345 2.234
85 1HD2 LEU 8 1HD2 LEU 8 14.775 7.333 6.342
86 2HD2 LEU 8 2HD2 LEU 8 15.084 5.694 5.771
87 3HD2 LEU 8 3HD2 LEU 8 16.251 6.974 5.446
88 H THR 9 H THR 9 15.172 10.071 1.507
89 HA THR 9 HA THR 9 15.092 12.774 2.402
90 HB THR 9 HB THR 9 16.587 13.252 0.502
91 HG1 THR 9 HG1 THR 9 16.410 10.492 -0.146
92 1HG2 THR 9 1HG2 THR 9 17.177 10.852 2.215
93 2HG2 THR 9 2HG2 THR 9 18.378 11.538 1.123
94 3HG2 THR 9 3HG2 THR 9 17.717 12.517 2.432
95 H GLY 10 H GLY 10 13.870 11.133 -0.514
96 1HA GLY 10 1HA GLY 10 12.761 13.565 -1.580
97 2HA GLY 10 2HA GLY 10 11.553 12.533 -0.835
98 H LYS 11 H LYS 11 14.360 11.246 -2.468
99 HA LYS 11 HA LYS 11 13.602 11.008 -5.063
100 1HB LYS 11 1HB LYS 11 15.734 10.172 -4.199
101 2HB LYS 11 2HB LYS 11 14.903 8.853 -3.391
102 1HG LYS 11 1HG LYS 11 14.184 7.987 -5.572
103 2HG LYS 11 2HG LYS 11 15.065 9.294 -6.365
104 1HD LYS 11 1HD LYS 11 17.154 8.476 -5.374
105 2HD LYS 11 2HD LYS 11 16.267 7.162 -4.601
106 1HE LYS 11 1HE LYS 11 15.606 6.317 -6.800
107 2HE LYS 11 2HE LYS 11 16.494 7.629 -7.572
108 1HZ LYS 11 1HZ LYS 11 18.532 6.764 -6.556
109 2HZ LYS 11 2HZ LYS 11 17.660 5.472 -5.899
110 3HZ LYS 11 3HZ LYS 11 17.805 5.626 -7.577
111 H THR 12 H THR 12 12.061 10.037 -6.202
112 HA THR 12 HA THR 12 10.067 8.456 -4.793
113 HB THR 12 HB THR 12 10.071 9.436 -7.652
114 HG1 THR 12 HG1 THR 12 8.699 11.069 -6.833
115 1HG2 THR 12 1HG2 THR 12 8.060 8.002 -5.962
116 2HG2 THR 12 2HG2 THR 12 7.522 9.105 -7.228
117 3HG2 THR 12 3HG2 THR 12 8.521 7.711 -7.639
118 H ILE 13 H ILE 13 9.640 6.336 -5.141
119 HA ILE 13 HA ILE 13 11.275 4.939 -7.151
120 HB ILE 13 HB ILE 13 10.988 2.921 -5.548
121 1HG1 ILE 13 1HG1 ILE 13 10.756 5.215 -3.593
122 2HG1 ILE 13 2HG1 ILE 13 9.481 4.063 -3.973
123 1HG2 ILE 13 1HG2 ILE 13 12.957 5.102 -5.553
124 2HG2 ILE 13 2HG2 ILE 13 13.028 3.990 -4.182
125 3HG2 ILE 13 3HG2 ILE 13 13.161 3.369 -5.830
126 1HD1 ILE 13 1HD1 ILE 13 11.656 2.494 -3.258
127 2HD1 ILE 13 2HD1 ILE 13 11.663 3.839 -2.114
128 3HD1 ILE 13 3HD1 ILE 13 10.222 2.838 -2.289
129 H THR 14 H THR 14 10.280 3.578 -8.469
130 HA THR 14 HA THR 14 7.480 2.861 -7.904
131 HB THR 14 HB THR 14 8.485 3.363 -10.705
132 HG1 THR 14 HG1 THR 14 8.120 5.216 -8.797
133 1HG2 THR 14 1HG2 THR 14 5.964 2.641 -9.437
134 2HG2 THR 14 2HG2 THR 14 5.816 4.020 -10.526
135 3HG2 THR 14 3HG2 THR 14 6.466 2.492 -11.121
136 H LEU 15 H LEU 15 7.667 0.757 -7.400
137 HA LEU 15 HA LEU 15 9.228 -0.957 -9.220
138 1HB LEU 15 1HB LEU 15 9.515 -2.443 -7.186
139 2HB LEU 15 2HB LEU 15 10.431 -0.941 -7.198
140 HG LEU 15 HG LEU 15 7.778 -1.054 -5.821
141 1HD1 LEU 15 1HD1 LEU 15 9.293 -3.016 -5.154
142 2HD1 LEU 15 2HD1 LEU 15 10.312 -1.783 -4.408
143 3HD1 LEU 15 3HD1 LEU 15 8.641 -1.987 -3.879
144 1HD2 LEU 15 1HD2 LEU 15 9.306 1.015 -6.224
145 2HD2 LEU 15 2HD2 LEU 15 8.551 0.770 -4.649
146 3HD2 LEU 15 3HD2 LEU 15 10.244 0.340 -4.893
147 H GLU 16 H GLU 16 8.176 -2.555 -10.180
148 HA GLU 16 HA GLU 16 5.390 -2.978 -9.734
149 1HB GLU 16 1HB GLU 16 5.601 -4.696 -11.475
150 2HB GLU 16 2HB GLU 16 6.371 -3.190 -11.962
151 1HG GLU 16 1HG GLU 16 8.552 -4.113 -11.375
152 2HG GLU 16 2HG GLU 16 7.782 -5.618 -10.877
153 H VAL 17 H VAL 17 4.354 -4.636 -8.709
154 HA VAL 17 HA VAL 17 5.853 -6.905 -7.684
155 HB VAL 17 HB VAL 17 4.961 -6.601 -5.372
156 1HG1 VAL 17 1HG1 VAL 17 3.505 -4.536 -6.554
157 2HG1 VAL 17 2HG1 VAL 17 3.569 -4.960 -4.843
158 3HG1 VAL 17 3HG1 VAL 17 4.672 -3.748 -5.494
159 1HG2 VAL 17 1HG2 VAL 17 7.286 -5.888 -6.218
160 2HG2 VAL 17 2HG2 VAL 17 6.673 -4.245 -6.043
161 3HG2 VAL 17 3HG2 VAL 17 6.743 -5.313 -4.641
162 H GLU 18 H GLU 18 4.632 -8.708 -7.581
163 HA GLU 18 HA GLU 18 2.086 -8.735 -8.778
164 1HB GLU 18 1HB GLU 18 3.323 -10.896 -7.070
165 2HB GLU 18 2HB GLU 18 2.048 -11.100 -8.263
166 1HG GLU 18 1HG GLU 18 3.591 -10.470 -10.037
167 2HG GLU 18 2HG GLU 18 4.871 -10.232 -8.847
168 HA PRO 19 HA PRO 19 -0.640 -7.658 -5.459
169 1HB PRO 19 1HB PRO 19 -2.791 -9.199 -6.269
170 2HB PRO 19 2HB PRO 19 -2.421 -7.587 -6.877
171 1HG PRO 19 1HG PRO 19 -1.824 -10.247 -8.083
172 2HG PRO 19 2HG PRO 19 -2.348 -8.751 -8.873
173 1HD PRO 19 1HD PRO 19 0.206 -9.556 -8.964
174 2HD PRO 19 2HD PRO 19 -0.216 -7.837 -8.836
175 H SER 20 H SER 20 -0.307 -11.020 -6.443
176 HA SER 20 HA SER 20 -1.421 -12.199 -4.149
177 1HB SER 20 1HB SER 20 -1.108 -13.411 -6.250
178 2HB SER 20 2HB SER 20 0.640 -13.293 -6.071
179 HG SER 20 HG SER 20 0.607 -14.857 -4.647
180 H ASP 21 H ASP 21 1.810 -11.050 -4.893
181 HA ASP 21 HA ASP 21 3.217 -12.277 -2.817
182 1HB ASP 21 1HB ASP 21 3.630 -9.687 -4.297
183 2HB ASP 21 2HB ASP 21 4.718 -10.192 -3.010
184 H THR 22 H THR 22 3.399 -11.925 -0.696
185 HA THR 22 HA THR 22 1.456 -10.517 0.725
186 HB THR 22 HB THR 22 2.884 -10.854 2.715
187 HG1 THR 22 HG1 THR 22 4.877 -12.125 2.230
188 1HG2 THR 22 1HG2 THR 22 1.448 -12.673 1.692
189 2HG2 THR 22 2HG2 THR 22 2.934 -13.327 1.002
190 3HG2 THR 22 3HG2 THR 22 2.749 -13.215 2.753
191 H ILE 23 H ILE 23 1.531 -8.615 1.956
192 HA ILE 23 HA ILE 23 2.642 -6.371 0.758
193 HB ILE 23 HB ILE 23 1.909 -6.690 3.677
194 1HG1 ILE 23 1HG1 ILE 23 0.270 -5.709 1.326
195 2HG1 ILE 23 2HG1 ILE 23 0.054 -7.245 2.158
196 1HG2 ILE 23 1HG2 ILE 23 3.318 -4.648 2.668
197 2HG2 ILE 23 2HG2 ILE 23 1.689 -4.080 2.309
198 3HG2 ILE 23 3HG2 ILE 23 2.145 -4.458 3.970
199 1HD1 ILE 23 1HD1 ILE 23 -0.112 -4.717 3.720
200 2HD1 ILE 23 2HD1 ILE 23 -1.472 -5.209 2.709
201 3HD1 ILE 23 3HD1 ILE 23 -0.901 -6.270 3.996
202 H GLU 24 H GLU 24 3.877 -8.448 3.305
203 HA GLU 24 HA GLU 24 6.089 -6.944 4.099
204 1HB GLU 24 1HB GLU 24 5.352 -8.828 5.395
205 2HB GLU 24 2HB GLU 24 5.593 -9.921 4.042
206 1HG GLU 24 1HG GLU 24 7.342 -10.178 5.677
207 2HG GLU 24 2HG GLU 24 7.989 -9.556 4.164
208 H ASN 25 H ASN 25 5.687 -9.323 1.511
209 HA ASN 25 HA ASN 25 8.381 -9.409 0.683
210 1HB ASN 25 1HB ASN 25 6.707 -11.096 0.021
211 2HB ASN 25 2HB ASN 25 5.871 -9.886 -0.943
212 1HD2 ASN 25 2HD2 ASN 25 7.906 -12.408 -1.122
213 2HD2 ASN 25 1HD2 ASN 25 8.745 -12.021 -2.582
214 H VAL 26 H VAL 26 5.624 -7.457 -0.374
215 HA VAL 26 HA VAL 26 6.835 -6.088 -2.478
216 HB VAL 26 HB VAL 26 4.610 -5.332 -0.602
217 1HG1 VAL 26 1HG1 VAL 26 4.805 -6.897 -2.952
218 2HG1 VAL 26 2HG1 VAL 26 3.368 -6.506 -2.008
219 3HG1 VAL 26 3HG1 VAL 26 3.861 -5.457 -3.338
220 1HG2 VAL 26 1HG2 VAL 26 6.124 -3.532 -2.210
221 2HG2 VAL 26 2HG2 VAL 26 4.497 -3.675 -2.873
222 3HG2 VAL 26 3HG2 VAL 26 4.724 -3.206 -1.190
223 H LYS 27 H LYS 27 6.604 -5.180 0.957
224 HA LYS 27 HA LYS 27 8.051 -2.766 0.697
225 1HB LYS 27 1HB LYS 27 7.674 -4.507 3.142
226 2HB LYS 27 2HB LYS 27 8.233 -2.840 3.149
227 1HG LYS 27 1HG LYS 27 6.062 -2.183 2.114
228 2HG LYS 27 2HG LYS 27 5.517 -3.845 2.332
229 1HD LYS 27 1HD LYS 27 6.414 -1.989 4.535
230 2HD LYS 27 2HD LYS 27 4.740 -2.382 4.143
231 1HE LYS 27 1HE LYS 27 6.839 -4.360 5.023
232 2HE LYS 27 2HE LYS 27 5.584 -3.677 6.056
233 1HZ LYS 27 1HZ LYS 27 4.849 -5.083 3.576
234 2HZ LYS 27 2HZ LYS 27 5.211 -5.966 4.972
235 3HZ LYS 27 3HZ LYS 27 3.938 -4.853 4.984
236 H ALA 28 H ALA 28 9.005 -6.084 1.322
237 HA ALA 28 HA ALA 28 11.614 -5.718 2.193
238 1HB ALA 28 1HB ALA 28 12.032 -7.982 1.157
239 2HB ALA 28 2HB ALA 28 10.374 -7.918 0.560
240 3HB ALA 28 3HB ALA 28 10.689 -7.892 2.296
241 H LYS 29 H LYS 29 10.314 -5.711 -1.084
242 HA LYS 29 HA LYS 29 12.808 -5.645 -2.424
243 1HB LYS 29 1HB LYS 29 10.698 -6.293 -3.529
244 2HB LYS 29 2HB LYS 29 10.097 -4.654 -3.339
245 1HG LYS 29 1HG LYS 29 11.859 -3.822 -4.795
246 2HG LYS 29 2HG LYS 29 12.495 -5.460 -4.971
247 1HD LYS 29 1HD LYS 29 10.365 -6.166 -5.970
248 2HD LYS 29 2HD LYS 29 9.759 -4.517 -5.823
249 1HE LYS 29 1HE LYS 29 11.542 -3.728 -7.299
250 2HE LYS 29 2HE LYS 29 12.149 -5.378 -7.446
251 1HZ LYS 29 1HZ LYS 29 9.534 -5.610 -8.122
252 2HZ LYS 29 2HZ LYS 29 9.953 -4.114 -8.791
253 3HZ LYS 29 3HZ LYS 29 10.822 -5.502 -9.213
254 H ILE 30 H ILE 30 10.617 -3.176 -1.195
255 HA ILE 30 HA ILE 30 11.836 -0.929 -2.324
256 HB ILE 30 HB ILE 30 10.496 -1.095 0.381
257 1HG1 ILE 30 1HG1 ILE 30 9.344 -0.451 -2.346
258 2HG1 ILE 30 2HG1 ILE 30 9.063 -1.935 -1.444
259 1HG2 ILE 30 1HG2 ILE 30 11.303 1.189 -1.391
260 2HG2 ILE 30 2HG2 ILE 30 9.981 1.352 -0.235
261 3HG2 ILE 30 3HG2 ILE 30 11.603 0.959 0.333
262 1HD1 ILE 30 1HD1 ILE 30 8.021 -0.560 0.350
263 2HD1 ILE 30 2HD1 ILE 30 8.158 0.835 -0.721
264 3HD1 ILE 30 3HD1 ILE 30 7.160 -0.541 -1.190
265 H GLN 31 H GLN 31 12.664 -2.871 0.487
266 HA GLN 31 HA GLN 31 14.593 -1.118 1.591
267 1HB GLN 31 1HB GLN 31 14.653 -4.138 1.717
268 2HB GLN 31 2HB GLN 31 15.389 -3.005 2.840
269 1HG GLN 31 1HG GLN 31 13.172 -2.257 3.538
270 2HG GLN 31 2HG GLN 31 12.438 -3.412 2.426
271 1HE2 GLN 31 2HE2 GLN 31 11.711 -5.139 3.413
272 2HE2 GLN 31 1HE2 GLN 31 12.420 -5.912 4.786
273 H ASP 32 H ASP 32 14.724 -3.769 -0.741
274 HA ASP 32 HA ASP 32 17.493 -3.717 -1.208
275 1HB ASP 32 1HB ASP 32 16.075 -5.560 -1.999
276 2HB ASP 32 2HB ASP 32 15.239 -4.461 -3.092
277 H LYS 33 H LYS 33 14.808 -1.850 -2.307
278 HA LYS 33 HA LYS 33 16.122 -0.436 -4.395
279 1HB LYS 33 1HB LYS 33 13.545 -0.105 -2.898
280 2HB LYS 33 2HB LYS 33 14.104 1.165 -3.980
281 1HG LYS 33 1HG LYS 33 13.565 -1.699 -4.739
282 2HG LYS 33 2HG LYS 33 12.522 -0.317 -5.079
283 1HD LYS 33 1HD LYS 33 14.494 0.686 -6.320
284 2HD LYS 33 2HD LYS 33 15.257 -0.900 -6.190
285 1HE LYS 33 1HE LYS 33 12.651 -0.244 -7.548
286 2HE LYS 33 2HE LYS 33 14.160 -0.717 -8.326
287 1HZ LYS 33 1HZ LYS 33 13.600 -2.715 -6.520
288 2HZ LYS 33 2HZ LYS 33 12.114 -2.353 -7.242
289 3HZ LYS 33 3HZ LYS 33 13.435 -2.791 -8.202
290 H GLU 34 H GLU 34 15.792 0.005 -0.945
291 HA GLU 34 HA GLU 34 17.636 2.273 -1.109
292 1HB GLU 34 1HB GLU 34 15.398 3.251 -0.936
293 2HB GLU 34 2HB GLU 34 15.074 2.286 0.495
294 1HG GLU 34 1HG GLU 34 15.613 4.563 1.100
295 2HG GLU 34 2HG GLU 34 16.850 3.455 1.692
296 H GLY 35 H GLY 35 15.784 0.564 1.442
297 1HA GLY 35 1HA GLY 35 18.216 0.436 3.051
298 2HA GLY 35 2HA GLY 35 17.535 -1.101 2.547
299 H ILE 36 H ILE 36 15.614 1.703 3.340
300 HA ILE 36 HA ILE 36 15.161 1.426 6.013
301 HB ILE 36 HB ILE 36 12.639 2.052 5.108
302 1HG1 ILE 36 1HG1 ILE 36 13.050 3.675 3.253
303 2HG1 ILE 36 2HG1 ILE 36 14.678 3.030 3.097
304 1HG2 ILE 36 1HG2 ILE 36 15.054 3.639 5.838
305 2HG2 ILE 36 2HG2 ILE 36 13.575 4.458 5.333
306 3HG2 ILE 36 3HG2 ILE 36 13.555 3.385 6.735
307 1HD1 ILE 36 1HD1 ILE 36 12.868 0.855 2.986
308 2HD1 ILE 36 2HD1 ILE 36 12.291 2.115 1.895
309 3HD1 ILE 36 3HD1 ILE 36 13.928 1.479 1.720
310 HA PRO 37 HA PRO 37 13.446 -2.610 6.751
311 1HB PRO 37 1HB PRO 37 12.093 -0.991 8.878
312 2HB PRO 37 2HB PRO 37 12.891 -2.562 9.008
313 1HG PRO 37 1HG PRO 37 14.130 -0.378 9.842
314 2HG PRO 37 2HG PRO 37 15.025 -1.617 8.945
315 1HD PRO 37 1HD PRO 37 14.051 1.050 8.037
316 2HD PRO 37 2HD PRO 37 15.515 0.164 7.571
317 HA PRO 38 HA PRO 38 9.452 -2.662 4.865
318 1HB PRO 38 1HB PRO 38 8.158 -4.521 6.460
319 2HB PRO 38 2HB PRO 38 9.220 -4.912 5.107
320 1HG PRO 38 1HG PRO 38 9.815 -4.863 8.031
321 2HG PRO 38 2HG PRO 38 10.367 -6.003 6.793
322 1HD PRO 38 1HD PRO 38 11.971 -4.071 7.735
323 2HD PRO 38 2HD PRO 38 12.023 -4.569 6.034
324 H ASP 39 H ASP 39 9.492 -2.493 8.402
325 HA ASP 39 HA ASP 39 6.874 -1.585 8.789
326 1HB ASP 39 1HB ASP 39 9.348 -1.016 10.437
327 2HB ASP 39 2HB ASP 39 7.692 -0.755 10.970
328 H GLN 40 H GLN 40 9.817 0.094 7.922
329 HA GLN 40 HA GLN 40 9.165 2.717 8.453
330 1HB GLN 40 1HB GLN 40 10.643 1.649 6.043
331 2HB GLN 40 2HB GLN 40 10.686 3.312 6.607
332 1HG GLN 40 1HG GLN 40 11.552 1.016 8.327
333 2HG GLN 40 2HG GLN 40 12.645 1.832 7.211
334 1HE2 GLN 40 2HE2 GLN 40 13.849 3.304 8.109
335 2HE2 GLN 40 1HE2 GLN 40 13.429 4.290 9.468
336 H GLN 41 H GLN 41 8.614 0.991 5.387
337 HA GLN 41 HA GLN 41 7.226 3.006 4.066
338 1HB GLN 41 1HB GLN 41 7.100 0.008 3.810
339 2HB GLN 41 2HB GLN 41 6.198 1.077 2.751
340 1HG GLN 41 1HG GLN 41 8.227 0.385 1.675
341 2HG GLN 41 2HG GLN 41 8.299 2.108 2.020
342 1HE2 GLN 41 2HE2 GLN 41 9.920 -0.785 2.210
343 2HE2 GLN 41 1HE2 GLN 41 11.153 -0.333 3.332
344 H ARG 42 H ARG 42 5.255 3.842 4.245
345 HA ARG 42 HA ARG 42 3.410 2.651 6.142
346 1HB ARG 42 1HB ARG 42 3.568 5.390 4.911
347 2HB ARG 42 2HB ARG 42 2.192 4.864 5.869
348 1HG ARG 42 1HG ARG 42 5.032 4.928 6.856
349 2HG ARG 42 2HG ARG 42 3.837 6.195 7.141
350 1HD ARG 42 1HD ARG 42 2.404 4.572 8.288
351 2HD ARG 42 2HD ARG 42 3.615 3.319 8.019
352 HE ARG 42 HE ARG 42 4.840 5.453 9.348
353 1HH1 ARG 42 1HH1 ARG 42 2.424 3.007 9.923
354 2HH1 ARG 42 2HH1 ARG 42 2.720 2.934 11.629
355 1HH2 ARG 42 1HH2 ARG 42 5.236 5.362 11.591
356 2HH2 ARG 42 2HH2 ARG 42 4.318 4.272 12.576
357 H LEU 43 H LEU 43 1.638 1.594 5.530
358 HA LEU 43 HA LEU 43 1.037 1.212 2.776
359 1HB LEU 43 1HB LEU 43 -0.336 0.421 5.328
360 2HB LEU 43 2HB LEU 43 -1.090 0.131 3.773
361 HG LEU 43 HG LEU 43 0.817 -1.257 3.100
362 1HD1 LEU 43 1HD1 LEU 43 2.528 -0.122 4.466
363 2HD1 LEU 43 2HD1 LEU 43 1.823 -0.847 5.911
364 3HD1 LEU 43 3HD1 LEU 43 2.544 -1.875 4.672
365 1HD2 LEU 43 1HD2 LEU 43 -1.145 -2.245 4.229
366 2HD2 LEU 43 2HD2 LEU 43 0.342 -3.156 4.488
367 3HD2 LEU 43 3HD2 LEU 43 -0.288 -2.114 5.765
368 H ILE 44 H ILE 44 -0.103 2.460 1.472
369 HA ILE 44 HA ILE 44 -2.303 4.055 2.542
370 HB ILE 44 HB ILE 44 -0.102 5.249 0.855
371 1HG1 ILE 44 1HG1 ILE 44 -0.891 5.772 3.733
372 2HG1 ILE 44 2HG1 ILE 44 0.550 4.910 3.208
373 1HG2 ILE 44 1HG2 ILE 44 -2.720 5.950 0.813
374 2HG2 ILE 44 2HG2 ILE 44 -2.115 6.985 2.108
375 3HG2 ILE 44 3HG2 ILE 44 -1.387 7.063 0.504
376 1HD1 ILE 44 1HD1 ILE 44 1.114 7.079 1.948
377 2HD1 ILE 44 2HD1 ILE 44 -0.076 7.817 3.021
378 3HD1 ILE 44 3HD1 ILE 44 1.342 7.014 3.696
379 H PHE 45 H PHE 45 -4.029 4.025 1.246
380 HA PHE 45 HA PHE 45 -3.656 3.332 -1.586
381 1HB PHE 45 1HB PHE 45 -5.727 2.188 0.299
382 2HB PHE 45 2HB PHE 45 -5.758 1.979 -1.448
383 HD1 PHE 45 HD1 PHE 45 -3.384 1.507 1.400
384 HD2 PHE 45 HD2 PHE 45 -4.913 0.030 -2.286
385 HE1 PHE 45 HE1 PHE 45 -1.958 -0.486 1.613
386 HE2 PHE 45 HE2 PHE 45 -3.490 -1.966 -2.081
387 HZ PHE 45 HZ PHE 45 -2.010 -2.226 -0.129
388 H ALA 46 H ALA 46 -5.084 4.282 -3.045
389 HA ALA 46 HA ALA 46 -7.178 6.027 -1.992
390 1HB ALA 46 1HB ALA 46 -5.872 7.833 -2.111
391 2HB ALA 46 2HB ALA 46 -4.630 6.980 -3.028
392 3HB ALA 46 3HB ALA 46 -6.019 7.678 -3.861
393 H GLY 47 H GLY 47 -8.945 5.910 -3.209
394 1HA GLY 47 1HA GLY 47 -10.346 5.243 -4.903
395 2HA GLY 47 2HA GLY 47 -9.018 4.295 -5.543
396 H LYS 48 H LYS 48 -11.099 6.101 -6.758
397 HA LYS 48 HA LYS 48 -9.438 7.227 -8.788
398 1HB LYS 48 1HB LYS 48 -11.682 6.274 -9.228
399 2HB LYS 48 2HB LYS 48 -12.399 7.592 -8.315
400 1HG LYS 48 1HG LYS 48 -12.581 8.019 -10.682
401 2HG LYS 48 2HG LYS 48 -11.496 9.194 -9.940
402 1HD LYS 48 1HD LYS 48 -9.567 7.908 -10.719
403 2HD LYS 48 2HD LYS 48 -10.650 6.724 -11.453
404 1HE LYS 48 1HE LYS 48 -11.551 8.462 -12.920
405 2HE LYS 48 2HE LYS 48 -10.467 9.642 -12.190
406 1HZ LYS 48 1HZ LYS 48 -8.904 7.498 -13.010
407 2HZ LYS 48 2HZ LYS 48 -9.950 7.845 -14.295
408 3HZ LYS 48 3HZ LYS 48 -8.948 9.055 -13.669
409 H GLN 49 H GLN 49 -8.160 8.594 -7.348
410 HA GLN 49 HA GLN 49 -9.293 10.863 -6.093
411 1HB GLN 49 1HB GLN 49 -6.486 10.421 -7.134
412 2HB GLN 49 2HB GLN 49 -6.973 11.738 -6.080
413 1HG GLN 49 1HG GLN 49 -7.572 10.125 -4.344
414 2HG GLN 49 2HG GLN 49 -7.072 8.808 -5.403
415 1HE2 GLN 49 2HE2 GLN 49 -6.133 10.615 -2.868
416 2HE2 GLN 49 1HE2 GLN 49 -4.416 10.505 -3.034
417 H LEU 50 H LEU 50 -10.560 12.111 -7.315
418 HA LEU 50 HA LEU 50 -10.562 12.619 -9.981
419 1HB LEU 50 1HB LEU 50 -11.315 14.326 -7.641
420 2HB LEU 50 2HB LEU 50 -11.455 14.960 -9.267
421 HG LEU 50 HG LEU 50 -13.208 13.545 -9.819
422 1HD1 LEU 50 1HD1 LEU 50 -12.422 11.751 -7.528
423 2HD1 LEU 50 2HD1 LEU 50 -13.788 11.498 -8.613
424 3HD1 LEU 50 3HD1 LEU 50 -12.140 11.436 -9.240
425 1HD2 LEU 50 1HD2 LEU 50 -13.477 13.976 -6.849
426 2HD2 LEU 50 2HD2 LEU 50 -13.908 15.129 -8.112
427 3HD2 LEU 50 3HD2 LEU 50 -14.799 13.613 -7.960
428 H GLU 51 H GLU 51 -8.323 12.615 -10.613
429 HA GLU 51 HA GLU 51 -6.471 14.595 -9.859
430 1HB GLU 51 1HB GLU 51 -6.649 13.036 -12.444
431 2HB GLU 51 2HB GLU 51 -5.248 13.954 -11.910
432 1HG GLU 51 1HG GLU 51 -6.429 11.589 -10.470
433 2HG GLU 51 2HG GLU 51 -5.011 11.548 -11.516
434 H1 GLY -1 H1 GLY -1 -4.599 -4.213 16.132
435 H2 GLY -1 H2 GLY -1 -6.039 -3.882 15.310
436 H3 GLY -1 H3 GLY -1 -6.082 -4.641 16.823
437 1HA GLY -1 1HA GLY -1 -6.264 -5.958 14.522
438 2HA GLY -1 2HA GLY -1 -5.640 -6.664 16.004
439 H SER 0 H SER 0 -5.055 -6.846 12.956
440 HA SER 0 HA SER 0 -2.354 -7.583 13.199
441 1HB SER 0 1HB SER 0 -2.399 -7.801 10.736
442 2HB SER 0 2HB SER 0 -3.817 -8.537 11.483
443 HG SER 0 HG SER 0 -4.604 -6.153 11.051
444 H MET 1 H MET 1 -3.748 -4.873 11.352
445 HA MET 1 HA MET 1 -2.023 -2.899 12.264
446 1HB MET 1 1HB MET 1 -0.501 -2.652 10.304
447 2HB MET 1 2HB MET 1 -0.187 -4.086 11.268
448 1HG MET 1 1HG MET 1 -1.294 -5.477 9.644
449 2HG MET 1 2HG MET 1 -1.768 -4.063 8.708
450 1HE MET 1 1HE MET 1 -0.180 -2.333 8.064
451 2HE MET 1 2HE MET 1 1.490 -2.402 8.624
452 3HE MET 1 3HE MET 1 1.106 -2.794 6.948
453 H GLN 2 H GLN 2 -3.430 -1.292 12.011
454 HA GLN 2 HA GLN 2 -5.334 -1.173 9.917
455 1HB GLN 2 1HB GLN 2 -5.912 1.011 10.844
456 2HB GLN 2 2HB GLN 2 -5.738 -0.182 12.120
457 1HG GLN 2 1HG GLN 2 -3.477 0.677 12.577
458 2HG GLN 2 2HG GLN 2 -3.727 1.917 11.349
459 1HE2 GLN 2 2HE2 GLN 2 -4.215 3.807 12.166
460 2HE2 GLN 2 1HE2 GLN 2 -5.142 4.098 13.595
461 H ILE 3 H ILE 3 -5.163 -0.380 7.934
462 HA ILE 3 HA ILE 3 -2.702 1.018 7.183
463 HB ILE 3 HB ILE 3 -3.239 0.447 4.886
464 1HG1 ILE 3 1HG1 ILE 3 -5.741 -0.809 6.038
465 2HG1 ILE 3 2HG1 ILE 3 -5.681 0.621 5.015
466 1HG2 ILE 3 1HG2 ILE 3 -3.481 -1.857 6.813
467 2HG2 ILE 3 2HG2 ILE 3 -3.165 -2.033 5.087
468 3HG2 ILE 3 3HG2 ILE 3 -2.003 -1.196 6.115
469 1HD1 ILE 3 1HD1 ILE 3 -4.347 -1.598 3.757
470 2HD1 ILE 3 2HD1 ILE 3 -6.003 -2.012 4.205
471 3HD1 ILE 3 3HD1 ILE 3 -5.692 -0.612 3.179
472 H PHE 4 H PHE 4 -2.729 2.918 5.928
473 HA PHE 4 HA PHE 4 -5.046 4.609 6.436
474 1HB PHE 4 1HB PHE 4 -2.325 5.250 5.278
475 2HB PHE 4 2HB PHE 4 -3.588 6.437 5.572
476 HD1 PHE 4 HD1 PHE 4 -3.337 7.705 7.446
477 HD2 PHE 4 HD2 PHE 4 -1.885 3.705 7.478
478 HE1 PHE 4 HE1 PHE 4 -2.509 8.028 9.740
479 HE2 PHE 4 HE2 PHE 4 -1.056 4.020 9.772
480 HZ PHE 4 HZ PHE 4 -1.368 6.184 10.907
481 H VAL 5 H VAL 5 -6.517 5.160 4.941
482 HA VAL 5 HA VAL 5 -5.866 5.020 2.105
483 HB VAL 5 HB VAL 5 -8.147 3.416 3.279
484 1HG1 VAL 5 1HG1 VAL 5 -5.433 2.692 2.320
485 2HG1 VAL 5 2HG1 VAL 5 -6.402 1.991 3.616
486 3HG1 VAL 5 3HG1 VAL 5 -6.762 1.599 1.934
487 1HG2 VAL 5 1HG2 VAL 5 -8.725 4.464 1.141
488 2HG2 VAL 5 2HG2 VAL 5 -7.295 3.739 0.405
489 3HG2 VAL 5 3HG2 VAL 5 -8.600 2.710 0.996
490 H LYS 6 H LYS 6 -6.983 6.480 0.904
491 HA LYS 6 HA LYS 6 -8.980 8.106 2.322
492 1HB LYS 6 1HB LYS 6 -7.014 9.330 1.509
493 2HB LYS 6 2HB LYS 6 -7.329 8.765 -0.125
494 1HG LYS 6 1HG LYS 6 -9.432 9.989 -0.161
495 2HG LYS 6 2HG LYS 6 -9.150 10.535 1.493
496 1HD LYS 6 1HD LYS 6 -7.376 11.145 -0.871
497 2HD LYS 6 2HD LYS 6 -8.563 12.249 -0.177
498 1HE LYS 6 1HE LYS 6 -6.161 11.109 1.247
499 2HE LYS 6 2HE LYS 6 -6.309 12.750 0.623
500 1HZ LYS 6 1HZ LYS 6 -8.515 12.308 2.243
501 2HZ LYS 6 2HZ LYS 6 -7.179 11.721 3.099
502 3HZ LYS 6 3HZ LYS 6 -7.194 13.320 2.553
503 H THR 7 H THR 7 -11.049 8.132 1.654
504 HA THR 7 HA THR 7 -11.913 6.291 -0.334
505 HB THR 7 HB THR 7 -14.178 7.201 0.072
506 HG1 THR 7 HG1 THR 7 -14.118 9.257 0.638
507 1HG2 THR 7 1HG2 THR 7 -12.401 6.348 2.311
508 2HG2 THR 7 2HG2 THR 7 -14.057 6.834 2.674
509 3HG2 THR 7 3HG2 THR 7 -13.753 5.500 1.561
510 H LEU 8 H LEU 8 -14.073 7.793 -1.458
511 HA LEU 8 HA LEU 8 -12.683 8.950 -3.705
512 1HB LEU 8 1HB LEU 8 -15.596 8.462 -3.111
513 2HB LEU 8 2HB LEU 8 -15.047 9.250 -4.574
514 HG LEU 8 HG LEU 8 -13.924 7.248 -5.310
515 1HD1 LEU 8 1HD1 LEU 8 -16.514 7.561 -5.403
516 2HD1 LEU 8 2HD1 LEU 8 -15.781 6.031 -5.888
517 3HD1 LEU 8 3HD1 LEU 8 -16.515 6.192 -4.293
518 1HD2 LEU 8 1HD2 LEU 8 -14.149 6.498 -2.521
519 2HD2 LEU 8 2HD2 LEU 8 -14.679 5.219 -3.612
520 3HD2 LEU 8 3HD2 LEU 8 -13.061 5.901 -3.773
521 H THR 9 H THR 9 -15.264 10.093 -1.524
522 HA THR 9 HA THR 9 -15.099 12.784 -2.425
523 HB THR 9 HB THR 9 -16.577 13.316 -0.531
524 HG1 THR 9 HG1 THR 9 -16.419 10.560 0.158
525 1HG2 THR 9 1HG2 THR 9 -17.215 10.913 -2.220
526 2HG2 THR 9 2HG2 THR 9 -18.399 11.607 -1.112
527 3HG2 THR 9 3HG2 THR 9 -17.747 12.582 -2.430
528 H GLY 10 H GLY 10 -13.905 11.134 0.499
529 1HA GLY 10 1HA GLY 10 -12.731 13.547 1.539
530 2HA GLY 10 2HA GLY 10 -11.553 12.483 0.793
531 H LYS 11 H LYS 11 -14.368 11.239 2.434
532 HA LYS 11 HA LYS 11 -13.627 11.012 5.031
533 1HB LYS 11 1HB LYS 11 -15.752 10.168 4.164
534 2HB LYS 11 2HB LYS 11 -14.916 8.849 3.359
535 1HG LYS 11 1HG LYS 11 -14.200 7.989 5.547
536 2HG LYS 11 2HG LYS 11 -15.095 9.291 6.333
537 1HD LYS 11 1HD LYS 11 -17.172 8.460 5.329
538 2HD LYS 11 2HD LYS 11 -16.273 7.149 4.565
539 1HE LYS 11 1HE LYS 11 -15.621 6.312 6.768
540 2HE LYS 11 2HE LYS 11 -16.520 7.620 7.533
541 1HZ LYS 11 1HZ LYS 11 -18.548 6.742 6.508
542 2HZ LYS 11 2HZ LYS 11 -17.666 5.455 5.854
543 3HZ LYS 11 3HZ LYS 11 -17.818 5.609 7.532
544 H THR 12 H THR 12 -12.053 10.094 6.161
545 HA THR 12 HA THR 12 -10.056 8.505 4.779
546 HB THR 12 HB THR 12 -10.099 9.462 7.644
547 HG1 THR 12 HG1 THR 12 -8.704 11.098 6.845
548 1HG2 THR 12 1HG2 THR 12 -8.068 8.040 5.970
549 2HG2 THR 12 2HG2 THR 12 -7.540 9.148 7.238
550 3HG2 THR 12 3HG2 THR 12 -8.538 7.751 7.645
551 H ILE 13 H ILE 13 -9.638 6.382 5.107
552 HA ILE 13 HA ILE 13 -11.282 4.977 7.102
553 HB ILE 13 HB ILE 13 -11.044 2.973 5.488
554 1HG1 ILE 13 1HG1 ILE 13 -10.710 5.269 3.550
555 2HG1 ILE 13 2HG1 ILE 13 -9.488 4.063 3.931
556 1HG2 ILE 13 1HG2 ILE 13 -12.942 5.229 5.430
557 2HG2 ILE 13 2HG2 ILE 13 -13.044 4.060 4.110
558 3HG2 ILE 13 3HG2 ILE 13 -13.204 3.519 5.783
559 1HD1 ILE 13 1HD1 ILE 13 -11.726 2.600 3.170
560 2HD1 ILE 13 2HD1 ILE 13 -11.641 3.951 2.038
561 3HD1 ILE 13 3HD1 ILE 13 -10.257 2.876 2.235
562 H THR 14 H THR 14 -10.236 3.778 8.493
563 HA THR 14 HA THR 14 -7.482 2.934 7.878
564 HB THR 14 HB THR 14 -8.447 3.618 10.660
565 HG1 THR 14 HG1 THR 14 -8.135 5.366 8.771
566 1HG2 THR 14 1HG2 THR 14 -5.947 2.687 9.440
567 2HG2 THR 14 2HG2 THR 14 -5.757 4.033 10.564
568 3HG2 THR 14 3HG2 THR 14 -6.524 2.537 11.100
569 H LEU 15 H LEU 15 -7.595 0.790 7.578
570 HA LEU 15 HA LEU 15 -9.097 -0.777 9.550
571 1HB LEU 15 1HB LEU 15 -10.134 -2.115 7.886
572 2HB LEU 15 2HB LEU 15 -10.429 -0.440 7.468
573 HG LEU 15 HG LEU 15 -8.415 -2.265 6.149
574 1HD1 LEU 15 1HD1 LEU 15 -7.689 0.097 6.249
575 2HD1 LEU 15 2HD1 LEU 15 -7.998 -0.477 4.612
576 3HD1 LEU 15 3HD1 LEU 15 -9.179 0.553 5.422
577 1HD2 LEU 15 1HD2 LEU 15 -10.750 -2.757 5.605
578 2HD2 LEU 15 2HD2 LEU 15 -10.990 -1.073 5.142
579 3HD2 LEU 15 3HD2 LEU 15 -9.881 -2.090 4.222
580 H GLU 16 H GLU 16 -8.085 -2.468 10.319
581 HA GLU 16 HA GLU 16 -5.369 -2.975 9.705
582 1HB GLU 16 1HB GLU 16 -5.572 -4.752 11.387
583 2HB GLU 16 2HB GLU 16 -6.285 -3.245 11.949
584 1HG GLU 16 1HG GLU 16 -8.511 -4.131 11.232
585 2HG GLU 16 2HG GLU 16 -7.721 -5.677 10.924
586 H VAL 17 H VAL 17 -4.393 -4.673 8.700
587 HA VAL 17 HA VAL 17 -5.932 -6.872 7.616
588 HB VAL 17 HB VAL 17 -5.055 -6.541 5.303
589 1HG1 VAL 17 1HG1 VAL 17 -7.367 -5.912 5.965
590 2HG1 VAL 17 2HG1 VAL 17 -6.796 -4.265 6.230
591 3HG1 VAL 17 3HG1 VAL 17 -6.733 -4.971 4.616
592 1HG2 VAL 17 1HG2 VAL 17 -3.479 -4.609 6.460
593 2HG2 VAL 17 2HG2 VAL 17 -3.712 -4.859 4.729
594 3HG2 VAL 17 3HG2 VAL 17 -4.693 -3.674 5.591
595 H GLU 18 H GLU 18 -4.729 -8.685 7.519
596 HA GLU 18 HA GLU 18 -2.207 -8.770 8.732
597 1HB GLU 18 1HB GLU 18 -3.480 -10.851 6.953
598 2HB GLU 18 2HB GLU 18 -2.168 -11.125 8.087
599 1HG GLU 18 1HG GLU 18 -3.648 -10.518 9.938
600 2HG GLU 18 2HG GLU 18 -4.965 -10.266 8.792
601 HA PRO 19 HA PRO 19 0.615 -7.625 5.512
602 1HB PRO 19 1HB PRO 19 2.742 -9.170 6.363
603 2HB PRO 19 2HB PRO 19 2.344 -7.575 6.997
604 1HG PRO 19 1HG PRO 19 1.716 -10.267 8.117
605 2HG PRO 19 2HG PRO 19 2.216 -8.793 8.960
606 1HD PRO 19 1HD PRO 19 -0.338 -9.596 8.955
607 2HD PRO 19 2HD PRO 19 0.087 -7.875 8.880
608 H SER 20 H SER 20 0.349 -11.009 6.462
609 HA SER 20 HA SER 20 1.490 -12.129 4.151
610 1HB SER 20 1HB SER 20 1.226 -13.377 6.236
611 2HB SER 20 2HB SER 20 -0.527 -13.296 6.080
612 HG SER 20 HG SER 20 -0.477 -14.853 4.652
613 H ASP 21 H ASP 21 -1.720 -10.986 4.898
614 HA ASP 21 HA ASP 21 -3.152 -12.250 2.852
615 1HB ASP 21 1HB ASP 21 -3.584 -9.570 4.185
616 2HB ASP 21 2HB ASP 21 -4.738 -10.318 3.087
617 H THR 22 H THR 22 -3.330 -11.913 0.723
618 HA THR 22 HA THR 22 -1.409 -10.501 -0.711
619 HB THR 22 HB THR 22 -2.855 -10.829 -2.690
620 HG1 THR 22 HG1 THR 22 -4.844 -12.099 -2.194
621 1HG2 THR 22 1HG2 THR 22 -1.410 -12.651 -1.677
622 2HG2 THR 22 2HG2 THR 22 -2.892 -13.310 -0.987
623 3HG2 THR 22 3HG2 THR 22 -2.713 -13.189 -2.738
624 H ILE 23 H ILE 23 -1.483 -8.603 -1.944
625 HA ILE 23 HA ILE 23 -2.589 -6.352 -0.740
626 HB ILE 23 HB ILE 23 -1.840 -6.673 -3.654
627 1HG1 ILE 23 1HG1 ILE 23 -0.212 -5.689 -1.298
628 2HG1 ILE 23 2HG1 ILE 23 0.005 -7.230 -2.122
629 1HG2 ILE 23 1HG2 ILE 23 -3.252 -4.628 -2.652
630 2HG2 ILE 23 2HG2 ILE 23 -1.622 -4.062 -2.289
631 3HG2 ILE 23 3HG2 ILE 23 -2.073 -4.441 -3.951
632 1HD1 ILE 23 1HD1 ILE 23 0.186 -4.707 -3.692
633 2HD1 ILE 23 2HD1 ILE 23 1.541 -5.203 -2.674
634 3HD1 ILE 23 3HD1 ILE 23 0.970 -6.265 -3.961
635 H GLU 24 H GLU 24 -3.809 -8.431 -3.286
636 HA GLU 24 HA GLU 24 -6.019 -6.924 -4.089
637 1HB GLU 24 1HB GLU 24 -5.300 -8.776 -5.415
638 2HB GLU 24 2HB GLU 24 -5.464 -9.889 -4.066
639 1HG GLU 24 1HG GLU 24 -7.257 -10.241 -5.592
640 2HG GLU 24 2HG GLU 24 -7.892 -9.536 -4.110
641 H ASN 25 H ASN 25 -5.546 -9.193 -1.445
642 HA ASN 25 HA ASN 25 -8.250 -9.411 -0.666
643 1HB ASN 25 1HB ASN 25 -6.522 -11.022 0.020
644 2HB ASN 25 2HB ASN 25 -5.751 -9.780 0.998
645 1HD2 ASN 25 2HD2 ASN 25 -7.721 -12.372 1.120
646 2HD2 ASN 25 1HD2 ASN 25 -8.586 -12.024 2.575
647 H VAL 26 H VAL 26 -5.605 -7.341 0.577
648 HA VAL 26 HA VAL 26 -7.127 -6.104 2.581
649 HB VAL 26 HB VAL 26 -5.454 -4.419 2.738
650 1HG1 VAL 26 1HG1 VAL 26 -4.910 -7.072 2.946
651 2HG1 VAL 26 2HG1 VAL 26 -3.614 -6.525 1.883
652 3HG1 VAL 26 3HG1 VAL 26 -3.832 -5.775 3.464
653 1HG2 VAL 26 1HG2 VAL 26 -5.373 -3.897 0.303
654 2HG2 VAL 26 2HG2 VAL 26 -3.803 -3.933 1.104
655 3HG2 VAL 26 3HG2 VAL 26 -4.310 -5.289 0.100
656 H LYS 27 H LYS 27 -6.629 -5.210 -0.816
657 HA LYS 27 HA LYS 27 -8.050 -2.766 -0.688
658 1HB LYS 27 1HB LYS 27 -7.594 -4.589 -3.059
659 2HB LYS 27 2HB LYS 27 -8.176 -2.933 -3.150
660 1HG LYS 27 1HG LYS 27 -6.030 -2.236 -2.034
661 2HG LYS 27 2HG LYS 27 -5.464 -3.888 -2.279
662 1HD LYS 27 1HD LYS 27 -6.366 -1.997 -4.450
663 2HD LYS 27 2HD LYS 27 -4.692 -2.394 -4.062
664 1HE LYS 27 1HE LYS 27 -6.782 -4.363 -4.983
665 2HE LYS 27 2HE LYS 27 -5.538 -3.647 -6.006
666 1HZ LYS 27 1HZ LYS 27 -4.763 -5.087 -3.563
667 2HZ LYS 27 2HZ LYS 27 -5.154 -5.959 -4.958
668 3HZ LYS 27 3HZ LYS 27 -3.883 -4.844 -4.988
669 H ALA 28 H ALA 28 -9.001 -6.088 -1.328
670 HA ALA 28 HA ALA 28 -11.598 -5.698 -2.237
671 1HB ALA 28 1HB ALA 28 -12.033 -7.979 -1.239
672 2HB ALA 28 2HB ALA 28 -10.681 -7.873 -2.366
673 3HB ALA 28 3HB ALA 28 -10.379 -7.929 -0.629
674 H LYS 29 H LYS 29 -10.307 -5.692 1.030
675 HA LYS 29 HA LYS 29 -12.802 -5.670 2.376
676 1HB LYS 29 1HB LYS 29 -10.662 -6.321 3.449
677 2HB LYS 29 2HB LYS 29 -10.103 -4.662 3.311
678 1HG LYS 29 1HG LYS 29 -11.919 -3.933 4.782
679 2HG LYS 29 2HG LYS 29 -12.451 -5.607 4.934
680 1HD LYS 29 1HD LYS 29 -10.304 -6.211 5.926
681 2HD LYS 29 2HD LYS 29 -9.758 -4.541 5.768
682 1HE LYS 29 1HE LYS 29 -11.552 -3.812 7.259
683 2HE LYS 29 2HE LYS 29 -12.105 -5.479 7.413
684 1HZ LYS 29 1HZ LYS 29 -9.495 -5.652 8.080
685 2HZ LYS 29 2HZ LYS 29 -9.919 -4.146 8.722
686 3HZ LYS 29 3HZ LYS 29 -10.772 -5.532 9.182
687 H ILE 30 H ILE 30 -10.613 -3.172 1.193
688 HA ILE 30 HA ILE 30 -11.849 -0.944 2.341
689 HB ILE 30 HB ILE 30 -10.509 -1.078 -0.367
690 1HG1 ILE 30 1HG1 ILE 30 -9.353 -0.453 2.362
691 2HG1 ILE 30 2HG1 ILE 30 -9.074 -1.932 1.450
692 1HG2 ILE 30 1HG2 ILE 30 -11.323 1.186 1.427
693 2HG2 ILE 30 2HG2 ILE 30 -10.001 1.365 0.273
694 3HG2 ILE 30 3HG2 ILE 30 -11.622 0.972 -0.299
695 1HD1 ILE 30 1HD1 ILE 30 -8.031 -0.552 -0.335
696 2HD1 ILE 30 2HD1 ILE 30 -8.176 0.843 0.734
697 3HD1 ILE 30 3HD1 ILE 30 -7.172 -0.528 1.204
698 H GLN 31 H GLN 31 -12.653 -2.873 -0.475
699 HA GLN 31 HA GLN 31 -14.584 -1.154 -1.612
700 1HB GLN 31 1HB GLN 31 -14.591 -4.177 -1.655
701 2HB GLN 31 2HB GLN 31 -15.383 -3.096 -2.800
702 1HG GLN 31 1HG GLN 31 -13.184 -2.291 -3.535
703 2HG GLN 31 2HG GLN 31 -12.416 -3.432 -2.433
704 1HE2 GLN 31 2HE2 GLN 31 -11.671 -5.139 -3.445
705 2HE2 GLN 31 1HE2 GLN 31 -12.398 -5.930 -4.796
706 H ASP 32 H ASP 32 -14.767 -3.830 0.692
707 HA ASP 32 HA ASP 32 -17.529 -3.754 1.143
708 1HB ASP 32 1HB ASP 32 -16.188 -5.623 1.927
709 2HB ASP 32 2HB ASP 32 -15.263 -4.560 2.979
710 H LYS 33 H LYS 33 -14.862 -1.884 2.259
711 HA LYS 33 HA LYS 33 -16.226 -0.497 4.347
712 1HB LYS 33 1HB LYS 33 -13.581 -0.172 2.961
713 2HB LYS 33 2HB LYS 33 -14.155 1.039 4.104
714 1HG LYS 33 1HG LYS 33 -13.815 -1.889 4.728
715 2HG LYS 33 2HG LYS 33 -12.636 -0.631 5.107
716 1HD LYS 33 1HD LYS 33 -14.135 0.438 6.612
717 2HD LYS 33 2HD LYS 33 -15.487 -0.559 6.074
718 1HE LYS 33 1HE LYS 33 -14.549 -1.236 8.272
719 2HE LYS 33 2HE LYS 33 -14.524 -2.513 7.058
720 1HZ LYS 33 1HZ LYS 33 -12.164 -0.802 7.475
721 2HZ LYS 33 2HZ LYS 33 -12.449 -2.129 8.484
722 3HZ LYS 33 3HZ LYS 33 -12.248 -2.359 6.820
723 H GLU 34 H GLU 34 -15.838 -0.066 0.922
724 HA GLU 34 HA GLU 34 -17.590 2.272 1.063
725 1HB GLU 34 1HB GLU 34 -15.321 3.178 0.901
726 2HB GLU 34 2HB GLU 34 -15.019 2.200 -0.526
727 1HG GLU 34 1HG GLU 34 -15.491 4.501 -1.127
728 2HG GLU 34 2HG GLU 34 -16.742 3.420 -1.740
729 H GLY 35 H GLY 35 -15.777 0.495 -1.472
730 1HA GLY 35 1HA GLY 35 -18.224 0.410 -3.070
731 2HA GLY 35 2HA GLY 35 -17.547 -1.132 -2.578
732 H ILE 36 H ILE 36 -15.610 1.657 -3.389
733 HA ILE 36 HA ILE 36 -15.203 1.350 -6.075
734 HB ILE 36 HB ILE 36 -12.700 2.061 -5.313
735 1HG1 ILE 36 1HG1 ILE 36 -12.948 3.561 -3.347
736 2HG1 ILE 36 2HG1 ILE 36 -14.568 2.928 -3.090
737 1HG2 ILE 36 1HG2 ILE 36 -15.220 3.551 -5.811
738 2HG2 ILE 36 2HG2 ILE 36 -13.799 4.450 -5.280
739 3HG2 ILE 36 3HG2 ILE 36 -13.732 3.487 -6.755
740 1HD1 ILE 36 1HD1 ILE 36 -12.671 0.781 -3.219
741 2HD1 ILE 36 2HD1 ILE 36 -12.184 1.977 -2.019
742 3HD1 ILE 36 3HD1 ILE 36 -13.779 1.230 -1.922
743 HA PRO 37 HA PRO 37 -13.414 -2.645 -6.805
744 1HB PRO 37 1HB PRO 37 -12.032 -1.012 -8.898
745 2HB PRO 37 2HB PRO 37 -12.823 -2.585 -9.052
746 1HG PRO 37 1HG PRO 37 -14.052 -0.401 -9.901
747 2HG PRO 37 2HG PRO 37 -14.959 -1.646 -9.027
748 1HD PRO 37 1HD PRO 37 -14.011 1.019 -8.089
749 2HD PRO 37 2HD PRO 37 -15.483 0.128 -7.657
750 HA PRO 38 HA PRO 38 -9.455 -2.641 -4.842
751 1HB PRO 38 1HB PRO 38 -8.134 -4.522 -6.393
752 2HB PRO 38 2HB PRO 38 -9.196 -4.889 -5.033
753 1HG PRO 38 1HG PRO 38 -9.770 -4.945 -7.957
754 2HG PRO 38 2HG PRO 38 -10.347 -6.024 -6.675
755 1HD PRO 38 1HD PRO 38 -11.910 -4.109 -7.739
756 2HD PRO 38 2HD PRO 38 -12.020 -4.569 -6.030
757 H ASP 39 H ASP 39 -9.469 -2.507 -8.377
758 HA ASP 39 HA ASP 39 -6.844 -1.612 -8.759
759 1HB ASP 39 1HB ASP 39 -9.309 -1.049 -10.422
760 2HB ASP 39 2HB ASP 39 -7.650 -0.792 -10.950
761 H GLN 40 H GLN 40 -9.788 0.074 -7.913
762 HA GLN 40 HA GLN 40 -9.134 2.695 -8.455
763 1HB GLN 40 1HB GLN 40 -10.617 1.638 -6.042
764 2HB GLN 40 2HB GLN 40 -10.659 3.298 -6.613
765 1HG GLN 40 1HG GLN 40 -11.520 1.000 -8.331
766 2HG GLN 40 2HG GLN 40 -12.617 1.804 -7.210
767 1HE2 GLN 40 2HE2 GLN 40 -13.834 3.266 -8.104
768 2HE2 GLN 40 1HE2 GLN 40 -13.422 4.261 -9.460
769 H GLN 41 H GLN 41 -8.583 0.969 -5.390
770 HA GLN 41 HA GLN 41 -7.209 2.986 -4.059
771 1HB GLN 41 1HB GLN 41 -7.074 -0.013 -3.813
772 2HB GLN 41 2HB GLN 41 -6.174 1.054 -2.749
773 1HG GLN 41 1HG GLN 41 -8.204 0.354 -1.678
774 2HG GLN 41 2HG GLN 41 -8.276 2.080 -2.016
775 1HE2 GLN 41 2HE2 GLN 41 -9.895 -0.814 -2.222
776 2HE2 GLN 41 1HE2 GLN 41 -11.128 -0.357 -3.343
777 H ARG 42 H ARG 42 -5.249 3.837 -4.237
778 HA ARG 42 HA ARG 42 -3.390 2.673 -6.135
779 1HB ARG 42 1HB ARG 42 -3.575 5.395 -4.877
780 2HB ARG 42 2HB ARG 42 -2.184 4.890 -5.822
781 1HG ARG 42 1HG ARG 42 -5.016 4.975 -6.835
782 2HG ARG 42 2HG ARG 42 -3.793 6.215 -7.117
783 1HD ARG 42 1HD ARG 42 -2.385 4.565 -8.248
784 2HD ARG 42 2HD ARG 42 -3.615 3.333 -7.979
785 HE ARG 42 HE ARG 42 -4.802 5.473 -9.327
786 1HH1 ARG 42 1HH1 ARG 42 -2.407 3.003 -9.879
787 2HH1 ARG 42 2HH1 ARG 42 -2.696 2.924 -11.586
788 1HH2 ARG 42 1HH2 ARG 42 -5.189 5.376 -11.571
789 2HH2 ARG 42 2HH2 ARG 42 -4.277 4.273 -12.548
790 H LEU 43 H LEU 43 -1.602 1.629 -5.537
791 HA LEU 43 HA LEU 43 -1.003 1.219 -2.784
792 1HB LEU 43 1HB LEU 43 0.400 0.472 -5.335
793 2HB LEU 43 2HB LEU 43 1.119 0.147 -3.770
794 HG LEU 43 HG LEU 43 -0.824 -1.241 -3.174
795 1HD1 LEU 43 1HD1 LEU 43 -2.442 -0.048 -4.653
796 2HD1 LEU 43 2HD1 LEU 43 -1.716 -0.884 -6.026
797 3HD1 LEU 43 3HD1 LEU 43 -2.517 -1.808 -4.756
798 1HD2 LEU 43 1HD2 LEU 43 1.204 -2.187 -4.261
799 2HD2 LEU 43 2HD2 LEU 43 -0.265 -3.126 -4.526
800 3HD2 LEU 43 3HD2 LEU 43 0.360 -2.087 -5.806
801 H ILE 44 H ILE 44 0.116 2.482 -1.475
802 HA ILE 44 HA ILE 44 2.315 4.086 -2.534
803 HB ILE 44 HB ILE 44 0.061 5.258 -0.903
804 1HG1 ILE 44 1HG1 ILE 44 1.006 5.877 -3.712
805 2HG1 ILE 44 2HG1 ILE 44 -0.438 4.953 -3.317
806 1HG2 ILE 44 1HG2 ILE 44 2.684 5.961 -0.735
807 2HG2 ILE 44 2HG2 ILE 44 2.110 7.040 -2.006
808 3HG2 ILE 44 3HG2 ILE 44 1.330 7.048 -0.425
809 1HD1 ILE 44 1HD1 ILE 44 -1.107 7.081 -1.992
810 2HD1 ILE 44 2HD1 ILE 44 0.080 7.868 -3.033
811 3HD1 ILE 44 3HD1 ILE 44 -1.299 7.029 -3.745
812 H PHE 45 H PHE 45 4.033 4.053 -1.232
813 HA PHE 45 HA PHE 45 3.651 3.366 1.602
814 1HB PHE 45 1HB PHE 45 5.730 2.227 -0.278
815 2HB PHE 45 2HB PHE 45 5.760 2.021 1.470
816 HD1 PHE 45 HD1 PHE 45 3.387 1.536 -1.377
817 HD2 PHE 45 HD2 PHE 45 4.925 0.067 2.308
818 HE1 PHE 45 HE1 PHE 45 1.970 -0.464 -1.588
819 HE2 PHE 45 HE2 PHE 45 3.512 -1.936 2.103
820 HZ PHE 45 HZ PHE 45 2.032 -2.204 0.154
821 H ALA 46 H ALA 46 5.059 4.332 3.064
822 HA ALA 46 HA ALA 46 7.147 6.090 2.009
823 1HB ALA 46 1HB ALA 46 5.833 7.888 2.159
824 2HB ALA 46 2HB ALA 46 4.601 7.015 3.072
825 3HB ALA 46 3HB ALA 46 5.989 7.712 3.907
826 H GLY 47 H GLY 47 8.922 5.998 3.218
827 1HA GLY 47 1HA GLY 47 10.343 5.324 4.892
828 2HA GLY 47 2HA GLY 47 9.030 4.352 5.532
829 H LYS 48 H LYS 48 11.097 6.162 6.757
830 HA LYS 48 HA LYS 48 9.407 7.276 8.783
831 1HB LYS 48 1HB LYS 48 11.602 6.259 9.279
832 2HB LYS 48 2HB LYS 48 12.390 7.547 8.379
833 1HG LYS 48 1HG LYS 48 12.543 7.978 10.742
834 2HG LYS 48 2HG LYS 48 11.506 9.185 9.982
835 1HD LYS 48 1HD LYS 48 9.527 7.966 10.736
836 2HD LYS 48 2HD LYS 48 10.558 6.747 11.485
837 1HE LYS 48 1HE LYS 48 11.500 8.465 12.958
838 2HE LYS 48 2HE LYS 48 10.451 9.670 12.218
839 1HZ LYS 48 1HZ LYS 48 8.838 7.555 13.030
840 2HZ LYS 48 2HZ LYS 48 9.872 7.903 14.324
841 3HZ LYS 48 3HZ LYS 48 8.896 9.120 13.670
842 H GLN 49 H GLN 49 8.209 8.702 7.318
843 HA GLN 49 HA GLN 49 9.431 10.967 6.138
844 1HB GLN 49 1HB GLN 49 6.591 10.620 7.133
845 2HB GLN 49 2HB GLN 49 7.145 11.887 6.051
846 1HG GLN 49 1HG GLN 49 7.673 10.232 4.353
847 2HG GLN 49 2HG GLN 49 7.175 8.940 5.443
848 1HE2 GLN 49 2HE2 GLN 49 6.222 10.685 2.877
849 2HE2 GLN 49 1HE2 GLN 49 4.506 10.596 3.063
850 H LEU 50 H LEU 50 10.547 12.422 7.290
851 HA LEU 50 HA LEU 50 10.523 12.733 10.028
852 1HB LEU 50 1HB LEU 50 11.174 14.846 7.976
853 2HB LEU 50 2HB LEU 50 11.589 14.933 9.675
854 HG LEU 50 HG LEU 50 13.579 14.240 8.787
855 1HD1 LEU 50 1HD1 LEU 50 12.269 12.375 10.264
856 2HD1 LEU 50 2HD1 LEU 50 12.735 11.441 8.843
857 3HD1 LEU 50 3HD1 LEU 50 13.965 12.281 9.788
858 1HD2 LEU 50 1HD2 LEU 50 11.900 13.134 6.650
859 2HD2 LEU 50 2HD2 LEU 50 13.454 13.965 6.570
860 3HD2 LEU 50 3HD2 LEU 50 13.391 12.252 6.982
861 H GLU 51 H GLU 51 8.281 12.664 10.604
862 HA GLU 51 HA GLU 51 6.392 14.602 9.873
863 1HB GLU 51 1HB GLU 51 6.598 13.016 12.438
864 2HB GLU 51 2HB GLU 51 5.177 13.909 11.916
865 1HG GLU 51 1HG GLU 51 6.418 11.597 10.441
866 2HG GLU 51 2HG GLU 51 4.998 11.505 11.480
No H/Q in entry = 866
Start of MODEL 16
1 H1 GLY -1 H1 GLY -1 3.597 0.768 -15.972
2 H2 GLY -1 H2 GLY -1 4.843 1.300 -16.986
3 H3 GLY -1 H3 GLY -1 3.966 -0.093 -17.380
4 1HA GLY -1 1HA GLY -1 5.947 0.280 -15.218
5 2HA GLY -1 2HA GLY -1 5.986 -0.883 -16.532
6 H SER 0 H SER 0 3.414 -1.892 -16.426
7 HA SER 0 HA SER 0 2.113 -3.433 -15.380
8 1HB SER 0 1HB SER 0 4.669 -3.946 -13.840
9 2HB SER 0 2HB SER 0 3.275 -5.026 -13.886
10 HG SER 0 HG SER 0 3.810 -4.581 -16.373
11 H MET 1 H MET 1 2.783 -4.187 -12.455
12 HA MET 1 HA MET 1 0.966 -2.272 -11.298
13 1HB MET 1 1HB MET 1 0.768 -4.678 -10.811
14 2HB MET 1 2HB MET 1 2.353 -4.655 -10.056
15 1HG MET 1 1HG MET 1 0.562 -4.628 -8.408
16 2HG MET 1 2HG MET 1 1.542 -3.165 -8.329
17 1HE MET 1 1HE MET 1 -1.054 -3.288 -6.833
18 2HE MET 1 2HE MET 1 -0.283 -1.709 -6.982
19 3HE MET 1 3HE MET 1 -2.005 -1.886 -7.327
20 H GLN 2 H GLN 2 3.168 -0.864 -11.990
21 HA GLN 2 HA GLN 2 5.197 -0.697 -10.060
22 1HB GLN 2 1HB GLN 2 5.696 1.497 -11.019
23 2HB GLN 2 2HB GLN 2 5.395 0.317 -12.284
24 1HG GLN 2 1HG GLN 2 3.104 1.193 -12.519
25 2HG GLN 2 2HG GLN 2 3.477 2.416 -11.304
26 1HE2 GLN 2 2HE2 GLN 2 3.865 4.313 -12.161
27 2HE2 GLN 2 1HE2 GLN 2 4.665 4.618 -13.660
28 H ILE 3 H ILE 3 4.881 -0.331 -7.984
29 HA ILE 3 HA ILE 3 2.639 1.213 -7.028
30 HB ILE 3 HB ILE 3 3.472 0.622 -4.778
31 1HG1 ILE 3 1HG1 ILE 3 5.622 -0.888 -6.274
32 2HG1 ILE 3 2HG1 ILE 3 5.880 0.567 -5.318
33 1HG2 ILE 3 1HG2 ILE 3 2.109 -0.919 -6.448
34 2HG2 ILE 3 2HG2 ILE 3 3.525 -1.950 -6.245
35 3HG2 ILE 3 3HG2 ILE 3 2.580 -1.464 -4.838
36 1HD1 ILE 3 1HD1 ILE 3 4.529 -1.360 -3.713
37 2HD1 ILE 3 2HD1 ILE 3 5.938 -2.111 -4.465
38 3HD1 ILE 3 3HD1 ILE 3 6.131 -0.651 -3.495
39 H PHE 4 H PHE 4 2.724 3.176 -6.003
40 HA PHE 4 HA PHE 4 5.112 4.754 -6.493
41 1HB PHE 4 1HB PHE 4 2.371 5.513 -5.456
42 2HB PHE 4 2HB PHE 4 3.686 6.658 -5.684
43 HD1 PHE 4 HD1 PHE 4 2.270 3.891 -7.765
44 HD2 PHE 4 HD2 PHE 4 3.309 8.009 -7.481
45 HE1 PHE 4 HE1 PHE 4 1.584 4.222 -10.105
46 HE2 PHE 4 HE2 PHE 4 2.625 8.347 -9.820
47 HZ PHE 4 HZ PHE 4 1.761 6.452 -11.135
48 H VAL 5 H VAL 5 6.555 5.307 -4.958
49 HA VAL 5 HA VAL 5 5.808 5.125 -2.137
50 HB VAL 5 HB VAL 5 8.154 3.630 -3.321
51 1HG1 VAL 5 1HG1 VAL 5 7.776 4.701 -0.703
52 2HG1 VAL 5 2HG1 VAL 5 7.738 2.941 -0.618
53 3HG1 VAL 5 3HG1 VAL 5 9.127 3.759 -1.333
54 1HG2 VAL 5 1HG2 VAL 5 5.635 2.653 -1.984
55 2HG2 VAL 5 2HG2 VAL 5 6.083 2.447 -3.677
56 3HG2 VAL 5 3HG2 VAL 5 7.010 1.636 -2.415
57 H LYS 6 H LYS 6 7.017 6.397 -0.769
58 HA LYS 6 HA LYS 6 8.855 8.274 -2.092
59 1HB LYS 6 1HB LYS 6 7.227 8.627 0.432
60 2HB LYS 6 2HB LYS 6 8.325 9.825 -0.241
61 1HG LYS 6 1HG LYS 6 6.944 9.954 -2.256
62 2HG LYS 6 2HG LYS 6 5.836 8.766 -1.566
63 1HD LYS 6 1HD LYS 6 5.352 10.286 0.285
64 2HD LYS 6 2HD LYS 6 6.469 11.473 -0.393
65 1HE LYS 6 1HE LYS 6 3.958 10.444 -1.708
66 2HE LYS 6 2HE LYS 6 4.155 12.019 -0.944
67 1HZ LYS 6 1HZ LYS 6 5.942 12.468 -2.586
68 2HZ LYS 6 2HZ LYS 6 5.533 11.029 -3.376
69 3HZ LYS 6 3HZ LYS 6 4.409 12.290 -3.278
70 H THR 7 H THR 7 10.930 8.331 -1.479
71 HA THR 7 HA THR 7 11.962 6.374 0.291
72 HB THR 7 HB THR 7 14.143 7.455 -0.061
73 HG1 THR 7 HG1 THR 7 14.145 9.520 -0.492
74 1HG2 THR 7 1HG2 THR 7 12.420 7.113 -2.513
75 2HG2 THR 7 2HG2 THR 7 14.170 7.318 -2.572
76 3HG2 THR 7 3HG2 THR 7 13.474 5.917 -1.760
77 H LEU 8 H LEU 8 14.025 7.920 1.555
78 HA LEU 8 HA LEU 8 12.830 8.443 4.031
79 1HB LEU 8 1HB LEU 8 15.495 9.308 2.911
80 2HB LEU 8 2HB LEU 8 15.031 9.494 4.592
81 HG LEU 8 HG LEU 8 14.982 6.792 3.290
82 1HD1 LEU 8 1HD1 LEU 8 14.808 7.907 6.009
83 2HD1 LEU 8 2HD1 LEU 8 14.067 6.462 5.319
84 3HD1 LEU 8 3HD1 LEU 8 15.754 6.430 5.831
85 1HD2 LEU 8 1HD2 LEU 8 17.325 8.408 3.883
86 2HD2 LEU 8 2HD2 LEU 8 17.321 6.847 4.702
87 3HD2 LEU 8 3HD2 LEU 8 17.173 6.921 2.946
88 H THR 9 H THR 9 14.095 10.728 1.601
89 HA THR 9 HA THR 9 13.089 13.009 3.023
90 HB THR 9 HB THR 9 15.069 13.300 1.674
91 HG1 THR 9 HG1 THR 9 14.448 15.192 0.784
92 1HG2 THR 9 1HG2 THR 9 14.296 11.513 -0.022
93 2HG2 THR 9 2HG2 THR 9 13.482 12.851 -0.833
94 3HG2 THR 9 3HG2 THR 9 15.233 12.884 -0.617
95 H GLY 10 H GLY 10 12.145 11.242 0.092
96 1HA GLY 10 1HA GLY 10 9.690 12.839 -0.071
97 2HA GLY 10 2HA GLY 10 9.541 11.105 0.151
98 H LYS 11 H LYS 11 11.856 10.485 -1.510
99 HA LYS 11 HA LYS 11 11.282 11.529 -4.137
100 1HB LYS 11 1HB LYS 11 13.582 11.000 -3.513
101 2HB LYS 11 2HB LYS 11 13.141 9.319 -3.242
102 1HG LYS 11 1HG LYS 11 12.566 9.110 -5.626
103 2HG LYS 11 2HG LYS 11 13.090 10.775 -5.877
104 1HD LYS 11 1HD LYS 11 15.341 10.178 -5.118
105 2HD LYS 11 2HD LYS 11 14.813 8.510 -4.878
106 1HE LYS 11 1HE LYS 11 15.999 8.753 -6.993
107 2HE LYS 11 2HE LYS 11 14.310 8.322 -7.260
108 1HZ LYS 11 1HZ LYS 11 15.196 11.139 -7.316
109 2HZ LYS 11 2HZ LYS 11 15.311 10.158 -8.690
110 3HZ LYS 11 3HZ LYS 11 13.801 10.456 -7.986
111 H THR 12 H THR 12 10.021 10.651 -5.663
112 HA THR 12 HA THR 12 8.335 8.435 -5.010
113 HB THR 12 HB THR 12 8.681 9.859 -7.659
114 HG1 THR 12 HG1 THR 12 6.386 10.452 -6.488
115 1HG2 THR 12 1HG2 THR 12 7.649 7.629 -7.869
116 2HG2 THR 12 2HG2 THR 12 6.434 8.094 -6.678
117 3HG2 THR 12 3HG2 THR 12 6.508 8.923 -8.233
118 H ILE 13 H ILE 13 8.458 6.338 -5.660
119 HA ILE 13 HA ILE 13 10.548 5.586 -7.574
120 HB ILE 13 HB ILE 13 11.717 5.204 -5.581
121 1HG1 ILE 13 1HG1 ILE 13 10.351 2.627 -6.372
122 2HG1 ILE 13 2HG1 ILE 13 11.866 3.263 -7.005
123 1HG2 ILE 13 1HG2 ILE 13 9.647 5.498 -4.160
124 2HG2 ILE 13 2HG2 ILE 13 9.386 3.763 -4.359
125 3HG2 ILE 13 3HG2 ILE 13 10.852 4.353 -3.572
126 1HD1 ILE 13 1HD1 ILE 13 11.566 2.627 -4.099
127 2HD1 ILE 13 2HD1 ILE 13 11.947 1.371 -5.277
128 3HD1 ILE 13 3HD1 ILE 13 13.034 2.744 -5.070
129 H THR 14 H THR 14 9.791 4.268 -9.062
130 HA THR 14 HA THR 14 7.213 2.988 -8.704
131 HB THR 14 HB THR 14 8.078 2.146 -11.154
132 HG1 THR 14 HG1 THR 14 9.063 4.003 -12.107
133 1HG2 THR 14 1HG2 THR 14 6.226 4.058 -10.083
134 2HG2 THR 14 2HG2 THR 14 6.906 4.658 -11.597
135 3HG2 THR 14 3HG2 THR 14 6.107 3.084 -11.549
136 H LEU 15 H LEU 15 6.830 0.807 -8.757
137 HA LEU 15 HA LEU 15 8.964 -1.082 -9.133
138 1HB LEU 15 1HB LEU 15 9.417 -0.384 -6.854
139 2HB LEU 15 2HB LEU 15 7.752 -0.650 -6.396
140 HG LEU 15 HG LEU 15 9.583 -2.874 -7.303
141 1HD1 LEU 15 1HD1 LEU 15 10.505 -1.792 -5.309
142 2HD1 LEU 15 2HD1 LEU 15 8.951 -1.984 -4.494
143 3HD1 LEU 15 3HD1 LEU 15 9.890 -3.406 -4.950
144 1HD2 LEU 15 1HD2 LEU 15 6.828 -2.701 -6.202
145 2HD2 LEU 15 2HD2 LEU 15 7.486 -3.762 -7.449
146 3HD2 LEU 15 3HD2 LEU 15 7.836 -4.077 -5.749
147 H GLU 16 H GLU 16 7.981 -2.512 -10.374
148 HA GLU 16 HA GLU 16 5.133 -2.980 -10.144
149 1HB GLU 16 1HB GLU 16 5.382 -4.227 -12.220
150 2HB GLU 16 2HB GLU 16 6.163 -2.654 -12.345
151 1HG GLU 16 1HG GLU 16 8.336 -3.735 -11.909
152 2HG GLU 16 2HG GLU 16 7.528 -5.299 -11.888
153 H VAL 17 H VAL 17 4.180 -4.720 -9.314
154 HA VAL 17 HA VAL 17 5.518 -7.244 -8.974
155 HB VAL 17 HB VAL 17 4.966 -7.273 -6.464
156 1HG1 VAL 17 1HG1 VAL 17 7.247 -7.333 -7.343
157 2HG1 VAL 17 2HG1 VAL 17 7.261 -5.572 -7.434
158 3HG1 VAL 17 3HG1 VAL 17 7.155 -6.373 -5.866
159 1HG2 VAL 17 1HG2 VAL 17 4.295 -4.561 -7.130
160 2HG2 VAL 17 2HG2 VAL 17 4.038 -5.443 -5.623
161 3HG2 VAL 17 3HG2 VAL 17 5.562 -4.600 -5.902
162 H GLU 18 H GLU 18 4.096 -8.929 -8.562
163 HA GLU 18 HA GLU 18 1.480 -8.662 -9.468
164 1HB GLU 18 1HB GLU 18 2.562 -10.831 -7.662
165 2HB GLU 18 2HB GLU 18 1.144 -10.946 -8.695
166 1HG GLU 18 1HG GLU 18 2.557 -10.693 -10.668
167 2HG GLU 18 2HG GLU 18 3.978 -10.572 -9.633
168 HA PRO 19 HA PRO 19 -0.750 -6.955 -6.039
169 1HB PRO 19 1HB PRO 19 -3.204 -8.036 -6.588
170 2HB PRO 19 2HB PRO 19 -2.538 -6.640 -7.432
171 1HG PRO 19 1HG PRO 19 -2.545 -9.516 -8.249
172 2HG PRO 19 2HG PRO 19 -2.935 -8.079 -9.207
173 1HD PRO 19 1HD PRO 19 -0.549 -9.248 -9.411
174 2HD PRO 19 2HD PRO 19 -0.692 -7.482 -9.446
175 H SER 20 H SER 20 -1.226 -10.383 -6.804
176 HA SER 20 HA SER 20 -2.278 -11.150 -4.309
177 1HB SER 20 1HB SER 20 -0.751 -12.788 -6.344
178 2HB SER 20 2HB SER 20 -1.678 -13.452 -5.001
179 HG SER 20 HG SER 20 -2.681 -13.182 -7.233
180 H ASP 21 H ASP 21 0.902 -10.369 -5.312
181 HA ASP 21 HA ASP 21 2.460 -11.902 -3.573
182 1HB ASP 21 1HB ASP 21 3.360 -10.489 -5.415
183 2HB ASP 21 2HB ASP 21 2.990 -9.056 -4.460
184 H THR 22 H THR 22 2.929 -11.796 -1.449
185 HA THR 22 HA THR 22 1.253 -10.497 0.350
186 HB THR 22 HB THR 22 2.934 -11.040 2.088
187 HG1 THR 22 HG1 THR 22 4.528 -12.319 0.168
188 1HG2 THR 22 1HG2 THR 22 1.297 -12.718 1.108
189 2HG2 THR 22 2HG2 THR 22 2.660 -13.354 0.185
190 3HG2 THR 22 3HG2 THR 22 2.698 -13.384 1.948
191 H ILE 23 H ILE 23 1.396 -8.661 1.578
192 HA ILE 23 HA ILE 23 2.599 -6.393 0.474
193 HB ILE 23 HB ILE 23 1.731 -6.806 3.342
194 1HG1 ILE 23 1HG1 ILE 23 0.225 -5.662 0.977
195 2HG1 ILE 23 2HG1 ILE 23 -0.067 -7.234 1.709
196 1HG2 ILE 23 1HG2 ILE 23 3.019 -4.605 2.045
197 2HG2 ILE 23 2HG2 ILE 23 1.390 -4.133 2.530
198 3HG2 ILE 23 3HG2 ILE 23 2.518 -4.766 3.727
199 1HD1 ILE 23 1HD1 ILE 23 -0.183 -5.116 3.669
200 2HD1 ILE 23 2HD1 ILE 23 -1.315 -4.852 2.342
201 3HD1 ILE 23 3HD1 ILE 23 -1.374 -6.353 3.266
202 H GLU 24 H GLU 24 3.651 -8.544 3.060
203 HA GLU 24 HA GLU 24 5.858 -7.113 3.970
204 1HB GLU 24 1HB GLU 24 5.039 -8.965 5.230
205 2HB GLU 24 2HB GLU 24 5.255 -10.066 3.878
206 1HG GLU 24 1HG GLU 24 6.960 -10.463 5.492
207 2HG GLU 24 2HG GLU 24 7.684 -9.754 4.052
208 H ASN 25 H ASN 25 5.600 -9.531 1.385
209 HA ASN 25 HA ASN 25 8.349 -9.593 0.742
210 1HB ASN 25 1HB ASN 25 6.762 -11.352 0.060
211 2HB ASN 25 2HB ASN 25 5.970 -10.214 -1.023
212 1HD2 ASN 25 2HD2 ASN 25 8.070 -12.687 -0.922
213 2HD2 ASN 25 1HD2 ASN 25 9.003 -12.356 -2.338
214 H VAL 26 H VAL 26 5.636 -7.737 -0.592
215 HA VAL 26 HA VAL 26 7.004 -6.483 -2.682
216 HB VAL 26 HB VAL 26 4.722 -5.350 -1.052
217 1HG1 VAL 26 1HG1 VAL 26 5.904 -3.700 -2.460
218 2HG1 VAL 26 2HG1 VAL 26 5.584 -4.713 -3.867
219 3HG1 VAL 26 3HG1 VAL 26 4.244 -3.986 -2.982
220 1HG2 VAL 26 1HG2 VAL 26 4.564 -7.675 -2.282
221 2HG2 VAL 26 2HG2 VAL 26 3.238 -6.515 -2.336
222 3HG2 VAL 26 3HG2 VAL 26 4.350 -6.647 -3.698
223 H LYS 27 H LYS 27 6.444 -5.357 0.651
224 HA LYS 27 HA LYS 27 7.843 -2.927 0.384
225 1HB LYS 27 1HB LYS 27 7.414 -4.569 2.886
226 2HB LYS 27 2HB LYS 27 7.860 -2.871 2.830
227 1HG LYS 27 1HG LYS 27 5.719 -2.400 1.671
228 2HG LYS 27 2HG LYS 27 5.271 -4.090 1.901
229 1HD LYS 27 1HD LYS 27 5.860 -2.087 4.080
230 2HD LYS 27 2HD LYS 27 4.268 -2.694 3.623
231 1HE LYS 27 1HE LYS 27 4.990 -4.969 4.241
232 2HE LYS 27 2HE LYS 27 6.542 -4.313 4.761
233 1HZ LYS 27 1HZ LYS 27 4.953 -2.786 6.182
234 2HZ LYS 27 2HZ LYS 27 3.923 -4.121 6.038
235 3HZ LYS 27 3HZ LYS 27 5.454 -4.306 6.732
236 H ALA 28 H ALA 28 8.859 -6.177 1.242
237 HA ALA 28 HA ALA 28 11.402 -5.690 2.226
238 1HB ALA 28 1HB ALA 28 11.941 -7.981 1.240
239 2HB ALA 28 2HB ALA 28 10.278 -7.989 0.654
240 3HB ALA 28 3HB ALA 28 10.602 -7.891 2.384
241 H LYS 29 H LYS 29 10.256 -5.774 -1.098
242 HA LYS 29 HA LYS 29 12.823 -5.688 -2.309
243 1HB LYS 29 1HB LYS 29 10.813 -6.467 -3.508
244 2HB LYS 29 2HB LYS 29 10.136 -4.847 -3.422
245 1HG LYS 29 1HG LYS 29 11.856 -3.984 -4.843
246 2HG LYS 29 2HG LYS 29 12.718 -5.524 -4.812
247 1HD LYS 29 1HD LYS 29 10.800 -6.594 -5.924
248 2HD LYS 29 2HD LYS 29 9.989 -5.030 -5.997
249 1HE LYS 29 1HE LYS 29 11.799 -4.144 -7.371
250 2HE LYS 29 2HE LYS 29 12.635 -5.692 -7.281
251 1HZ LYS 29 1HZ LYS 29 9.942 -5.957 -8.206
252 2HZ LYS 29 2HZ LYS 29 10.860 -4.944 -9.202
253 3HZ LYS 29 3HZ LYS 29 11.380 -6.524 -8.896
254 H ILE 30 H ILE 30 10.476 -3.256 -1.297
255 HA ILE 30 HA ILE 30 11.622 -0.984 -2.428
256 HB ILE 30 HB ILE 30 10.274 -1.212 0.269
257 1HG1 ILE 30 1HG1 ILE 30 8.905 -2.018 -1.644
258 2HG1 ILE 30 2HG1 ILE 30 8.230 -0.588 -0.874
259 1HG2 ILE 30 1HG2 ILE 30 11.662 0.868 -0.213
260 2HG2 ILE 30 2HG2 ILE 30 10.450 1.255 -1.435
261 3HG2 ILE 30 3HG2 ILE 30 9.981 1.117 0.259
262 1HD1 ILE 30 1HD1 ILE 30 9.980 -0.304 -3.271
263 2HD1 ILE 30 2HD1 ILE 30 8.284 -0.751 -3.450
264 3HD1 ILE 30 3HD1 ILE 30 8.718 0.770 -2.669
265 H GLN 31 H GLN 31 12.419 -2.753 0.501
266 HA GLN 31 HA GLN 31 14.296 -0.990 1.611
267 1HB GLN 31 1HB GLN 31 13.452 -2.816 2.920
268 2HB GLN 31 2HB GLN 31 13.991 -3.994 1.731
269 1HG GLN 31 1HG GLN 31 16.314 -3.437 2.256
270 2HG GLN 31 2HG GLN 31 15.756 -2.297 3.478
271 1HE2 GLN 31 2HE2 GLN 31 13.625 -4.815 3.444
272 2HE2 GLN 31 1HE2 GLN 31 14.304 -5.778 4.704
273 H ASP 32 H ASP 32 14.645 -3.751 -0.571
274 HA ASP 32 HA ASP 32 17.428 -3.528 -0.938
275 1HB ASP 32 1HB ASP 32 16.266 -5.578 -1.504
276 2HB ASP 32 2HB ASP 32 15.280 -4.733 -2.692
277 H LYS 33 H LYS 33 14.670 -1.993 -2.336
278 HA LYS 33 HA LYS 33 15.959 -0.844 -4.594
279 1HB LYS 33 1HB LYS 33 13.351 -0.291 -3.188
280 2HB LYS 33 2HB LYS 33 13.875 0.634 -4.592
281 1HG LYS 33 1HG LYS 33 13.421 -2.343 -4.505
282 2HG LYS 33 2HG LYS 33 12.329 -1.147 -5.204
283 1HD LYS 33 1HD LYS 33 15.153 -1.685 -6.124
284 2HD LYS 33 2HD LYS 33 13.689 -2.274 -6.916
285 1HE LYS 33 1HE LYS 33 12.976 0.032 -7.312
286 2HE LYS 33 2HE LYS 33 14.438 0.621 -6.521
287 1HZ LYS 33 1HZ LYS 33 15.460 -1.017 -8.370
288 2HZ LYS 33 2HZ LYS 33 14.086 -0.456 -9.183
289 3HZ LYS 33 3HZ LYS 33 15.231 0.643 -8.602
290 H GLU 34 H GLU 34 15.483 0.141 -1.266
291 HA GLU 34 HA GLU 34 17.242 2.433 -1.762
292 1HB GLU 34 1HB GLU 34 14.929 3.289 -1.762
293 2HB GLU 34 2HB GLU 34 14.677 2.592 -0.168
294 1HG GLU 34 1HG GLU 34 15.095 4.974 -0.023
295 2HG GLU 34 2HG GLU 34 16.383 4.058 0.759
296 H GLY 35 H GLY 35 15.424 1.023 0.991
297 1HA GLY 35 1HA GLY 35 17.756 1.343 2.685
298 2HA GLY 35 2HA GLY 35 17.349 -0.321 2.302
299 H ILE 36 H ILE 36 15.122 2.367 2.913
300 HA ILE 36 HA ILE 36 14.571 2.076 5.548
301 HB ILE 36 HB ILE 36 12.047 2.462 4.678
302 1HG1 ILE 36 1HG1 ILE 36 12.185 3.863 2.624
303 2HG1 ILE 36 2HG1 ILE 36 13.864 3.377 2.435
304 1HG2 ILE 36 1HG2 ILE 36 14.362 4.220 5.196
305 2HG2 ILE 36 2HG2 ILE 36 12.943 4.962 4.458
306 3HG2 ILE 36 3HG2 ILE 36 12.797 4.125 6.003
307 1HD1 ILE 36 1HD1 ILE 36 11.928 1.181 2.667
308 2HD1 ILE 36 2HD1 ILE 36 11.805 2.175 1.214
309 3HD1 ILE 36 3HD1 ILE 36 13.324 1.368 1.603
310 HA PRO 37 HA PRO 37 13.295 -2.101 6.358
311 1HB PRO 37 1HB PRO 37 11.646 -0.585 8.340
312 2HB PRO 37 2HB PRO 37 12.621 -2.039 8.579
313 1HG PRO 37 1HG PRO 37 13.512 0.334 9.376
314 2HG PRO 37 2HG PRO 37 14.611 -0.844 8.637
315 1HD PRO 37 1HD PRO 37 13.481 1.655 7.506
316 2HD PRO 37 2HD PRO 37 15.023 0.853 7.159
317 HA PRO 38 HA PRO 38 9.504 -2.369 4.020
318 1HB PRO 38 1HB PRO 38 9.124 -4.875 5.571
319 2HB PRO 38 2HB PRO 38 9.121 -4.625 3.824
320 1HG PRO 38 1HG PRO 38 11.193 -5.786 5.031
321 2HG PRO 38 2HG PRO 38 11.435 -4.661 3.683
322 1HD PRO 38 1HD PRO 38 11.811 -4.218 6.615
323 2HD PRO 38 2HD PRO 38 12.774 -3.617 5.251
324 H ASP 39 H ASP 39 9.498 -3.204 7.467
325 HA ASP 39 HA ASP 39 6.726 -2.857 7.877
326 1HB ASP 39 1HB ASP 39 9.019 -2.693 9.843
327 2HB ASP 39 2HB ASP 39 7.317 -2.798 10.283
328 H GLN 40 H GLN 40 9.468 -0.655 8.057
329 HA GLN 40 HA GLN 40 8.212 1.463 9.376
330 1HB GLN 40 1HB GLN 40 10.665 1.271 8.919
331 2HB GLN 40 2HB GLN 40 10.339 1.700 7.247
332 1HG GLN 40 1HG GLN 40 9.313 3.826 8.092
333 2HG GLN 40 2HG GLN 40 9.924 3.398 9.689
334 1HE2 GLN 40 2HE2 GLN 40 12.042 2.224 7.445
335 2HE2 GLN 40 1HE2 GLN 40 13.175 3.527 7.417
336 H GLN 41 H GLN 41 8.247 0.550 5.979
337 HA GLN 41 HA GLN 41 7.187 2.857 4.846
338 1HB GLN 41 1HB GLN 41 6.744 -0.021 4.039
339 2HB GLN 41 2HB GLN 41 6.396 1.374 3.028
340 1HG GLN 41 1HG GLN 41 8.727 1.971 2.969
341 2HG GLN 41 2HG GLN 41 9.120 0.676 4.101
342 1HE2 GLN 41 2HE2 GLN 41 10.056 -0.961 3.148
343 2HE2 GLN 41 1HE2 GLN 41 9.708 -1.565 1.568
344 H ARG 42 H ARG 42 5.225 3.771 4.782
345 HA ARG 42 HA ARG 42 3.128 2.572 6.362
346 1HB ARG 42 1HB ARG 42 3.704 4.905 6.791
347 2HB ARG 42 2HB ARG 42 3.322 5.313 5.127
348 1HG ARG 42 1HG ARG 42 0.988 4.696 5.509
349 2HG ARG 42 2HG ARG 42 1.373 4.297 7.184
350 1HD ARG 42 1HD ARG 42 0.384 6.516 7.026
351 2HD ARG 42 2HD ARG 42 2.052 6.608 7.584
352 HE ARG 42 HE ARG 42 2.041 6.908 4.805
353 1HH1 ARG 42 1HH1 ARG 42 0.976 8.605 7.655
354 2HH1 ARG 42 2HH1 ARG 42 1.127 10.172 6.936
355 1HH2 ARG 42 1HH2 ARG 42 2.242 8.967 3.849
356 2HH2 ARG 42 2HH2 ARG 42 1.845 10.378 4.771
357 H LEU 43 H LEU 43 1.403 1.560 5.533
358 HA LEU 43 HA LEU 43 1.119 1.320 2.693
359 1HB LEU 43 1HB LEU 43 -0.843 0.428 4.801
360 2HB LEU 43 2HB LEU 43 -0.732 -0.145 3.152
361 HG LEU 43 HG LEU 43 1.109 -0.731 5.450
362 1HD1 LEU 43 1HD1 LEU 43 1.992 -0.236 2.860
363 2HD1 LEU 43 2HD1 LEU 43 2.860 -1.090 4.135
364 3HD1 LEU 43 3HD1 LEU 43 1.884 -1.993 2.976
365 1HD2 LEU 43 1HD2 LEU 43 -1.081 -2.036 4.570
366 2HD2 LEU 43 2HD2 LEU 43 0.169 -2.811 3.597
367 3HD2 LEU 43 3HD2 LEU 43 0.287 -2.823 5.357
368 H ILE 44 H ILE 44 -0.192 2.390 1.346
369 HA ILE 44 HA ILE 44 -2.394 3.976 2.422
370 HB ILE 44 HB ILE 44 -0.228 5.153 0.681
371 1HG1 ILE 44 1HG1 ILE 44 -1.107 5.840 3.495
372 2HG1 ILE 44 2HG1 ILE 44 0.354 4.950 3.077
373 1HG2 ILE 44 1HG2 ILE 44 -2.643 5.835 0.208
374 2HG2 ILE 44 2HG2 ILE 44 -2.606 6.613 1.790
375 3HG2 ILE 44 3HG2 ILE 44 -1.486 7.127 0.529
376 1HD1 ILE 44 1HD1 ILE 44 0.683 7.179 1.595
377 2HD1 ILE 44 2HD1 ILE 44 -0.202 7.820 2.979
378 3HD1 ILE 44 3HD1 ILE 44 1.316 6.957 3.226
379 H PHE 45 H PHE 45 -4.140 3.956 1.142
380 HA PHE 45 HA PHE 45 -3.827 3.072 -1.648
381 1HB PHE 45 1HB PHE 45 -6.014 2.181 0.248
382 2HB PHE 45 2HB PHE 45 -5.838 1.696 -1.436
383 HD1 PHE 45 HD1 PHE 45 -4.045 1.603 1.825
384 HD2 PHE 45 HD2 PHE 45 -4.706 -0.251 -1.947
385 HE1 PHE 45 HE1 PHE 45 -2.673 -0.314 2.531
386 HE2 PHE 45 HE2 PHE 45 -3.337 -2.173 -1.247
387 HZ PHE 45 HZ PHE 45 -2.319 -2.205 0.995
388 H ALA 46 H ALA 46 -5.225 4.020 -3.150
389 HA ALA 46 HA ALA 46 -7.379 5.726 -2.239
390 1HB ALA 46 1HB ALA 46 -6.438 7.740 -2.426
391 2HB ALA 46 2HB ALA 46 -5.604 7.311 -3.918
392 3HB ALA 46 3HB ALA 46 -4.895 6.890 -2.360
393 H GLY 47 H GLY 47 -8.969 5.675 -3.667
394 1HA GLY 47 1HA GLY 47 -10.125 5.075 -5.568
395 2HA GLY 47 2HA GLY 47 -8.654 4.335 -6.174
396 H LYS 48 H LYS 48 -8.578 5.120 -8.212
397 HA LYS 48 HA LYS 48 -9.172 7.856 -8.841
398 1HB LYS 48 1HB LYS 48 -6.906 8.084 -7.871
399 2HB LYS 48 2HB LYS 48 -6.302 6.928 -9.049
400 1HG LYS 48 1HG LYS 48 -5.766 9.180 -9.732
401 2HG LYS 48 2HG LYS 48 -6.919 8.464 -10.859
402 1HD LYS 48 1HD LYS 48 -8.746 9.653 -9.746
403 2HD LYS 48 2HD LYS 48 -7.593 10.369 -8.616
404 1HE LYS 48 1HE LYS 48 -7.626 10.765 -11.606
405 2HE LYS 48 2HE LYS 48 -8.171 11.931 -10.402
406 1HZ LYS 48 1HZ LYS 48 -5.397 10.896 -10.628
407 2HZ LYS 48 2HZ LYS 48 -5.922 12.396 -11.206
408 3HZ LYS 48 3HZ LYS 48 -5.938 12.075 -9.545
409 H GLN 49 H GLN 49 -10.620 6.510 -10.043
410 HA GLN 49 HA GLN 49 -9.648 4.946 -12.216
411 1HB GLN 49 1HB GLN 49 -12.001 4.944 -12.949
412 2HB GLN 49 2HB GLN 49 -11.848 4.542 -11.247
413 1HG GLN 49 1HG GLN 49 -12.497 6.805 -10.636
414 2HG GLN 49 2HG GLN 49 -12.639 7.228 -12.339
415 1HE2 GLN 49 2HE2 GLN 49 -13.620 4.111 -12.114
416 2HE2 GLN 49 1HE2 GLN 49 -15.318 4.352 -11.915
417 H LEU 50 H LEU 50 -8.425 5.949 -13.679
418 HA LEU 50 HA LEU 50 -8.310 8.603 -14.321
419 1HB LEU 50 1HB LEU 50 -7.855 6.298 -16.214
420 2HB LEU 50 2HB LEU 50 -7.313 7.942 -16.478
421 HG LEU 50 HG LEU 50 -5.402 6.836 -15.734
422 1HD1 LEU 50 1HD1 LEU 50 -5.995 8.929 -14.445
423 2HD1 LEU 50 2HD1 LEU 50 -6.483 7.861 -13.129
424 3HD1 LEU 50 3HD1 LEU 50 -4.814 7.853 -13.700
425 1HD2 LEU 50 1HD2 LEU 50 -7.109 4.974 -14.703
426 2HD2 LEU 50 2HD2 LEU 50 -5.355 4.978 -14.519
427 3HD2 LEU 50 3HD2 LEU 50 -6.376 5.668 -13.258
428 H GLU 51 H GLU 51 -10.511 9.331 -14.273
429 HA GLU 51 HA GLU 51 -12.491 8.532 -16.093
430 1HB GLU 51 1HB GLU 51 -12.941 9.887 -14.085
431 2HB GLU 51 2HB GLU 51 -12.105 11.247 -14.819
432 1HG GLU 51 1HG GLU 51 -13.773 11.308 -16.605
433 2HG GLU 51 2HG GLU 51 -14.618 9.954 -15.855
434 H1 GLY -1 H1 GLY -1 -3.897 0.763 16.041
435 H2 GLY -1 H2 GLY -1 -5.159 1.306 17.029
436 H3 GLY -1 H3 GLY -1 -4.300 -0.093 17.443
437 1HA GLY -1 1HA GLY -1 -6.234 0.290 15.240
438 2HA GLY -1 2HA GLY -1 -6.311 -0.867 16.557
439 H SER 0 H SER 0 -3.746 -1.899 16.508
440 HA SER 0 HA SER 0 -2.436 -3.453 15.494
441 1HB SER 0 1HB SER 0 -4.970 -3.950 13.913
442 2HB SER 0 2HB SER 0 -3.584 -5.040 13.977
443 HG SER 0 HG SER 0 -4.144 -4.598 16.456
444 H MET 1 H MET 1 -3.040 -4.215 12.557
445 HA MET 1 HA MET 1 -1.190 -2.309 11.437
446 1HB MET 1 1HB MET 1 -1.014 -4.729 10.968
447 2HB MET 1 2HB MET 1 -2.562 -4.669 10.142
448 1HG MET 1 1HG MET 1 -0.706 -4.664 8.572
449 2HG MET 1 2HG MET 1 -1.641 -3.174 8.471
450 1HE MET 1 1HE MET 1 1.023 -3.356 7.094
451 2HE MET 1 2HE MET 1 0.289 -1.757 7.226
452 3HE MET 1 3HE MET 1 1.987 -1.987 7.649
453 H GLN 2 H GLN 2 -3.402 -0.888 12.073
454 HA GLN 2 HA GLN 2 -5.384 -0.715 10.098
455 1HB GLN 2 1HB GLN 2 -5.838 1.534 11.020
456 2HB GLN 2 2HB GLN 2 -5.697 0.309 12.271
457 1HG GLN 2 1HG GLN 2 -3.419 1.049 12.743
458 2HG GLN 2 2HG GLN 2 -3.558 2.276 11.487
459 1HE2 GLN 2 2HE2 GLN 2 -3.945 4.218 12.239
460 2HE2 GLN 2 1HE2 GLN 2 -4.851 4.607 13.656
461 H ILE 3 H ILE 3 -5.048 -0.343 8.031
462 HA ILE 3 HA ILE 3 -2.782 1.186 7.097
463 HB ILE 3 HB ILE 3 -3.629 0.604 4.833
464 1HG1 ILE 3 1HG1 ILE 3 -5.726 -0.949 6.361
465 2HG1 ILE 3 2HG1 ILE 3 -6.026 0.495 5.401
466 1HG2 ILE 3 1HG2 ILE 3 -2.218 -0.915 6.501
467 2HG2 ILE 3 2HG2 ILE 3 -3.607 -1.980 6.274
468 3HG2 ILE 3 3HG2 ILE 3 -2.668 -1.447 4.880
469 1HD1 ILE 3 1HD1 ILE 3 -4.656 -1.470 3.826
470 2HD1 ILE 3 2HD1 ILE 3 -6.107 -2.159 4.554
471 3HD1 ILE 3 3HD1 ILE 3 -6.224 -0.708 3.559
472 H PHE 4 H PHE 4 -2.857 3.138 6.041
473 HA PHE 4 HA PHE 4 -5.252 4.724 6.492
474 1HB PHE 4 1HB PHE 4 -2.501 5.476 5.475
475 2HB PHE 4 2HB PHE 4 -3.818 6.620 5.693
476 HD1 PHE 4 HD1 PHE 4 -2.414 3.861 7.794
477 HD2 PHE 4 HD2 PHE 4 -3.448 7.978 7.489
478 HE1 PHE 4 HE1 PHE 4 -1.743 4.199 10.136
479 HE2 PHE 4 HE2 PHE 4 -2.777 8.323 9.831
480 HZ PHE 4 HZ PHE 4 -1.923 6.433 11.157
481 H VAL 5 H VAL 5 -6.713 5.144 4.955
482 HA VAL 5 HA VAL 5 -5.923 4.996 2.141
483 HB VAL 5 HB VAL 5 -8.268 3.471 3.282
484 1HG1 VAL 5 1HG1 VAL 5 -7.811 4.514 0.666
485 2HG1 VAL 5 2HG1 VAL 5 -7.752 2.753 0.606
486 3HG1 VAL 5 3HG1 VAL 5 -9.174 3.565 1.260
487 1HG2 VAL 5 1HG2 VAL 5 -5.692 2.515 2.043
488 2HG2 VAL 5 2HG2 VAL 5 -6.187 2.330 3.726
489 3HG2 VAL 5 3HG2 VAL 5 -7.063 1.483 2.452
490 H LYS 6 H LYS 6 -6.993 6.352 0.823
491 HA LYS 6 HA LYS 6 -8.918 8.177 2.073
492 1HB LYS 6 1HB LYS 6 -7.250 8.523 -0.427
493 2HB LYS 6 2HB LYS 6 -8.349 9.724 0.235
494 1HG LYS 6 1HG LYS 6 -6.988 9.862 2.258
495 2HG LYS 6 2HG LYS 6 -5.885 8.654 1.595
496 1HD LYS 6 1HD LYS 6 -5.364 10.152 -0.269
497 2HD LYS 6 2HD LYS 6 -6.471 11.359 0.390
498 1HE LYS 6 1HE LYS 6 -3.989 10.308 1.742
499 2HE LYS 6 2HE LYS 6 -4.149 11.874 0.952
500 1HZ LYS 6 1HZ LYS 6 -5.949 12.376 2.569
501 2HZ LYS 6 2HZ LYS 6 -5.567 10.946 3.386
502 3HZ LYS 6 3HZ LYS 6 -4.424 12.188 3.276
503 H THR 7 H THR 7 -10.976 8.282 1.379
504 HA THR 7 HA THR 7 -11.985 6.306 -0.384
505 HB THR 7 HB THR 7 -14.155 7.440 -0.135
506 HG1 THR 7 HG1 THR 7 -14.129 9.512 0.256
507 1HG2 THR 7 1HG2 THR 7 -12.531 7.117 2.386
508 2HG2 THR 7 2HG2 THR 7 -14.279 7.348 2.374
509 3HG2 THR 7 3HG2 THR 7 -13.572 5.921 1.616
510 H LEU 8 H LEU 8 -13.964 7.889 -1.780
511 HA LEU 8 HA LEU 8 -12.583 8.338 -4.185
512 1HB LEU 8 1HB LEU 8 -15.280 9.452 -3.415
513 2HB LEU 8 2HB LEU 8 -14.663 9.239 -5.041
514 HG LEU 8 HG LEU 8 -15.507 7.098 -3.094
515 1HD1 LEU 8 1HD1 LEU 8 -16.778 8.484 -5.227
516 2HD1 LEU 8 2HD1 LEU 8 -16.575 6.794 -5.687
517 3HD1 LEU 8 3HD1 LEU 8 -17.422 7.206 -4.196
518 1HD2 LEU 8 1HD2 LEU 8 -13.453 6.920 -5.043
519 2HD2 LEU 8 2HD2 LEU 8 -14.136 5.643 -4.035
520 3HD2 LEU 8 3HD2 LEU 8 -14.843 5.998 -5.612
521 H THR 9 H THR 9 -13.961 10.653 -1.853
522 HA THR 9 HA THR 9 -12.882 12.924 -3.228
523 HB THR 9 HB THR 9 -14.903 13.222 -1.941
524 HG1 THR 9 HG1 THR 9 -14.301 15.111 -1.022
525 1HG2 THR 9 1HG2 THR 9 -14.191 11.436 -0.220
526 2HG2 THR 9 2HG2 THR 9 -13.391 12.770 0.612
527 3HG2 THR 9 3HG2 THR 9 -15.135 12.813 0.347
528 H GLY 10 H GLY 10 -12.039 11.151 -0.267
529 1HA GLY 10 1HA GLY 10 -9.579 12.734 -0.039
530 2HA GLY 10 2HA GLY 10 -9.436 10.998 -0.248
531 H LYS 11 H LYS 11 -11.766 10.361 1.362
532 HA LYS 11 HA LYS 11 -11.258 11.434 3.995
533 1HB LYS 11 1HB LYS 11 -13.545 10.893 3.315
534 2HB LYS 11 2HB LYS 11 -13.092 9.209 3.086
535 1HG LYS 11 1HG LYS 11 -12.549 9.074 5.498
536 2HG LYS 11 2HG LYS 11 -13.142 10.723 5.687
537 1HD LYS 11 1HD LYS 11 -15.343 10.011 4.857
538 2HD LYS 11 2HD LYS 11 -14.741 8.357 4.718
539 1HE LYS 11 1HE LYS 11 -16.021 8.664 6.775
540 2HE LYS 11 2HE LYS 11 -14.333 8.288 7.118
541 1HZ LYS 11 1HZ LYS 11 -15.287 11.081 7.019
542 2HZ LYS 11 2HZ LYS 11 -15.430 10.158 8.430
543 3HZ LYS 11 3HZ LYS 11 -13.903 10.463 7.768
544 H THR 12 H THR 12 -9.957 10.603 5.501
545 HA THR 12 HA THR 12 -8.306 8.344 4.910
546 HB THR 12 HB THR 12 -8.613 9.880 7.500
547 HG1 THR 12 HG1 THR 12 -6.340 10.471 6.433
548 1HG2 THR 12 1HG2 THR 12 -7.630 7.615 7.769
549 2HG2 THR 12 2HG2 THR 12 -6.375 8.057 6.611
550 3HG2 THR 12 3HG2 THR 12 -6.497 8.912 8.150
551 H ILE 13 H ILE 13 -8.465 6.261 5.612
552 HA ILE 13 HA ILE 13 -10.539 5.624 7.592
553 HB ILE 13 HB ILE 13 -11.557 3.946 6.316
554 1HG1 ILE 13 1HG1 ILE 13 -9.239 4.181 4.390
555 2HG1 ILE 13 2HG1 ILE 13 -9.573 2.832 5.468
556 1HG2 ILE 13 1HG2 ILE 13 -11.438 6.536 5.314
557 2HG2 ILE 13 2HG2 ILE 13 -11.248 5.497 3.903
558 3HG2 ILE 13 3HG2 ILE 13 -12.656 5.314 4.949
559 1HD1 ILE 13 1HD1 ILE 13 -11.855 3.264 3.832
560 2HD1 ILE 13 2HD1 ILE 13 -10.417 3.203 2.809
561 3HD1 ILE 13 3HD1 ILE 13 -10.782 1.865 3.901
562 H THR 14 H THR 14 -9.972 4.081 9.025
563 HA THR 14 HA THR 14 -7.301 2.928 8.760
564 HB THR 14 HB THR 14 -7.942 2.097 11.179
565 HG1 THR 14 HG1 THR 14 -9.258 4.001 12.049
566 1HG2 THR 14 1HG2 THR 14 -6.560 4.314 10.113
567 2HG2 THR 14 2HG2 THR 14 -7.465 4.895 11.511
568 3HG2 THR 14 3HG2 THR 14 -6.341 3.547 11.687
569 H LEU 15 H LEU 15 -6.873 0.749 8.832
570 HA LEU 15 HA LEU 15 -9.004 -1.170 9.131
571 1HB LEU 15 1HB LEU 15 -9.484 -0.802 6.894
572 2HB LEU 15 2HB LEU 15 -7.814 -0.480 6.480
573 HG LEU 15 HG LEU 15 -7.284 -2.844 6.594
574 1HD1 LEU 15 1HD1 LEU 15 -9.670 -2.095 4.937
575 2HD1 LEU 15 2HD1 LEU 15 -7.972 -2.152 4.458
576 3HD1 LEU 15 3HD1 LEU 15 -8.853 -3.649 4.775
577 1HD2 LEU 15 1HD2 LEU 15 -9.487 -3.029 8.252
578 2HD2 LEU 15 2HD2 LEU 15 -9.970 -3.877 6.783
579 3HD2 LEU 15 3HD2 LEU 15 -8.508 -4.361 7.641
580 H GLU 16 H GLU 16 -8.084 -2.590 10.431
581 HA GLU 16 HA GLU 16 -5.236 -3.093 10.324
582 1HB GLU 16 1HB GLU 16 -5.650 -4.466 12.335
583 2HB GLU 16 2HB GLU 16 -6.263 -2.826 12.498
584 1HG GLU 16 1HG GLU 16 -8.520 -3.618 12.019
585 2HG GLU 16 2HG GLU 16 -7.909 -5.261 11.851
586 H VAL 17 H VAL 17 -4.294 -4.770 9.393
587 HA VAL 17 HA VAL 17 -5.654 -7.280 8.959
588 HB VAL 17 HB VAL 17 -5.091 -7.260 6.481
589 1HG1 VAL 17 1HG1 VAL 17 -7.392 -7.105 7.320
590 2HG1 VAL 17 2HG1 VAL 17 -7.235 -5.350 7.407
591 3HG1 VAL 17 3HG1 VAL 17 -7.168 -6.165 5.844
592 1HG2 VAL 17 1HG2 VAL 17 -4.215 -4.614 7.220
593 2HG2 VAL 17 2HG2 VAL 17 -3.943 -5.515 5.728
594 3HG2 VAL 17 3HG2 VAL 17 -5.409 -4.554 5.922
595 H GLU 18 H GLU 18 -4.239 -8.971 8.628
596 HA GLU 18 HA GLU 18 -1.645 -8.734 9.594
597 1HB GLU 18 1HB GLU 18 -2.710 -10.892 7.767
598 2HB GLU 18 2HB GLU 18 -1.316 -11.022 8.828
599 1HG GLU 18 1HG GLU 18 -2.767 -10.747 10.771
600 2HG GLU 18 2HG GLU 18 -4.164 -10.616 9.705
601 HA PRO 19 HA PRO 19 0.680 -7.005 6.238
602 1HB PRO 19 1HB PRO 19 3.103 -8.159 6.855
603 2HB PRO 19 2HB PRO 19 2.469 -6.707 7.623
604 1HG PRO 19 1HG PRO 19 2.400 -9.537 8.571
605 2HG PRO 19 2HG PRO 19 2.744 -8.061 9.487
606 1HD PRO 19 1HD PRO 19 0.353 -9.240 9.635
607 2HD PRO 19 2HD PRO 19 0.502 -7.472 9.609
608 H SER 20 H SER 20 1.083 -10.440 7.004
609 HA SER 20 HA SER 20 2.193 -11.214 4.536
610 1HB SER 20 1HB SER 20 0.575 -12.858 6.498
611 2HB SER 20 2HB SER 20 1.587 -13.503 5.209
612 HG SER 20 HG SER 20 2.471 -13.269 7.476
613 H ASP 21 H ASP 21 -1.049 -10.517 5.509
614 HA ASP 21 HA ASP 21 -2.551 -11.990 3.702
615 1HB ASP 21 1HB ASP 21 -3.490 -10.581 5.528
616 2HB ASP 21 2HB ASP 21 -3.092 -9.146 4.588
617 H THR 22 H THR 22 -2.963 -11.876 1.569
618 HA THR 22 HA THR 22 -1.243 -10.578 -0.185
619 HB THR 22 HB THR 22 -2.879 -11.116 -1.965
620 HG1 THR 22 HG1 THR 22 -4.532 -12.376 -0.079
621 1HG2 THR 22 1HG2 THR 22 -1.282 -12.805 -0.946
622 2HG2 THR 22 2HG2 THR 22 -2.667 -13.425 -0.048
623 3HG2 THR 22 3HG2 THR 22 -2.671 -13.464 -1.812
624 H ILE 23 H ILE 23 -1.358 -8.741 -1.419
625 HA ILE 23 HA ILE 23 -2.581 -6.469 -0.339
626 HB ILE 23 HB ILE 23 -1.645 -6.878 -3.185
627 1HG1 ILE 23 1HG1 ILE 23 -0.190 -5.746 -0.784
628 2HG1 ILE 23 2HG1 ILE 23 0.111 -7.319 -1.510
629 1HG2 ILE 23 1HG2 ILE 23 -2.951 -4.674 -1.909
630 2HG2 ILE 23 2HG2 ILE 23 -1.310 -4.211 -2.361
631 3HG2 ILE 23 3HG2 ILE 23 -2.418 -4.836 -3.583
632 1HD1 ILE 23 1HD1 ILE 23 0.283 -5.199 -3.464
633 2HD1 ILE 23 2HD1 ILE 23 1.389 -4.947 -2.111
634 3HD1 ILE 23 3HD1 ILE 23 1.456 -6.447 -3.038
635 H GLU 24 H GLU 24 -3.574 -8.628 -2.941
636 HA GLU 24 HA GLU 24 -5.755 -7.192 -3.911
637 1HB GLU 24 1HB GLU 24 -4.914 -9.042 -5.152
638 2HB GLU 24 2HB GLU 24 -5.148 -10.143 -3.804
639 1HG GLU 24 1HG GLU 24 -6.823 -10.552 -5.445
640 2HG GLU 24 2HG GLU 24 -7.576 -9.839 -4.021
641 H ASN 25 H ASN 25 -5.566 -9.609 -1.319
642 HA ASN 25 HA ASN 25 -8.329 -9.666 -0.743
643 1HB ASN 25 1HB ASN 25 -6.763 -11.424 -0.016
644 2HB ASN 25 2HB ASN 25 -5.994 -10.282 1.080
645 1HD2 ASN 25 2HD2 ASN 25 -8.095 -12.754 0.943
646 2HD2 ASN 25 1HD2 ASN 25 -9.058 -12.414 2.336
647 H VAL 26 H VAL 26 -5.649 -7.806 0.646
648 HA VAL 26 HA VAL 26 -7.059 -6.542 2.700
649 HB VAL 26 HB VAL 26 -4.720 -5.473 1.110
650 1HG1 VAL 26 1HG1 VAL 26 -4.897 -7.661 2.866
651 2HG1 VAL 26 2HG1 VAL 26 -3.441 -6.919 2.201
652 3HG1 VAL 26 3HG1 VAL 26 -4.084 -6.369 3.747
653 1HG2 VAL 26 1HG2 VAL 26 -6.272 -4.021 2.784
654 2HG2 VAL 26 2HG2 VAL 26 -5.085 -4.674 3.910
655 3HG2 VAL 26 3HG2 VAL 26 -4.553 -3.730 2.518
656 H LYS 27 H LYS 27 -6.439 -5.440 -0.629
657 HA LYS 27 HA LYS 27 -7.854 -3.009 -0.392
658 1HB LYS 27 1HB LYS 27 -7.317 -4.634 -2.885
659 2HB LYS 27 2HB LYS 27 -7.784 -2.941 -2.838
660 1HG LYS 27 1HG LYS 27 -5.692 -2.441 -1.614
661 2HG LYS 27 2HG LYS 27 -5.218 -4.129 -1.807
662 1HD LYS 27 1HD LYS 27 -5.740 -2.157 -4.029
663 2HD LYS 27 2HD LYS 27 -4.162 -2.747 -3.506
664 1HE LYS 27 1HE LYS 27 -4.835 -5.033 -4.129
665 2HE LYS 27 2HE LYS 27 -6.380 -4.403 -4.701
666 1HZ LYS 27 1HZ LYS 27 -4.754 -2.868 -6.084
667 2HZ LYS 27 2HZ LYS 27 -3.734 -4.205 -5.910
668 3HZ LYS 27 3HZ LYS 27 -5.247 -4.387 -6.642
669 H ALA 28 H ALA 28 -8.818 -6.264 -1.279
670 HA ALA 28 HA ALA 28 -11.320 -5.797 -2.377
671 1HB ALA 28 1HB ALA 28 -11.880 -8.091 -1.390
672 2HB ALA 28 2HB ALA 28 -10.516 -7.991 -2.505
673 3HB ALA 28 3HB ALA 28 -10.230 -8.083 -0.767
674 H LYS 29 H LYS 29 -10.317 -5.816 0.985
675 HA LYS 29 HA LYS 29 -12.963 -5.743 2.061
676 1HB LYS 29 1HB LYS 29 -11.055 -6.601 3.354
677 2HB LYS 29 2HB LYS 29 -10.309 -5.009 3.321
678 1HG LYS 29 1HG LYS 29 -12.072 -4.094 4.667
679 2HG LYS 29 2HG LYS 29 -12.968 -5.614 4.595
680 1HD LYS 29 1HD LYS 29 -11.132 -6.736 5.779
681 2HD LYS 29 2HD LYS 29 -10.267 -5.203 5.874
682 1HE LYS 29 1HE LYS 29 -12.116 -4.253 7.175
683 2HE LYS 29 2HE LYS 29 -12.958 -5.798 7.097
684 1HZ LYS 29 1HZ LYS 29 -10.282 -6.050 8.084
685 2HZ LYS 29 2HZ LYS 29 -11.224 -5.025 9.044
686 3HZ LYS 29 3HZ LYS 29 -11.734 -6.611 8.749
687 H ILE 30 H ILE 30 -10.602 -3.386 1.027
688 HA ILE 30 HA ILE 30 -11.605 -1.101 2.252
689 HB ILE 30 HB ILE 30 -10.281 -1.360 -0.444
690 1HG1 ILE 30 1HG1 ILE 30 -8.940 -2.140 1.488
691 2HG1 ILE 30 2HG1 ILE 30 -8.250 -0.711 0.730
692 1HG2 ILE 30 1HG2 ILE 30 -11.646 0.748 -0.047
693 2HG2 ILE 30 2HG2 ILE 30 -10.463 1.148 1.198
694 3HG2 ILE 30 3HG2 ILE 30 -9.951 0.967 -0.480
695 1HD1 ILE 30 1HD1 ILE 30 -10.049 -0.437 3.095
696 2HD1 ILE 30 2HD1 ILE 30 -8.348 -0.860 3.299
697 3HD1 ILE 30 3HD1 ILE 30 -8.792 0.653 2.510
698 H GLN 31 H GLN 31 -12.569 -2.590 -0.851
699 HA GLN 31 HA GLN 31 -14.429 -0.560 -1.515
700 1HB GLN 31 1HB GLN 31 -15.281 -2.043 -3.187
701 2HB GLN 31 2HB GLN 31 -13.540 -2.258 -3.135
702 1HG GLN 31 1HG GLN 31 -13.812 -4.292 -1.843
703 2HG GLN 31 2HG GLN 31 -15.561 -4.066 -1.841
704 1HE2 GLN 31 2HE2 GLN 31 -13.147 -5.729 -3.262
705 2HE2 GLN 31 1HE2 GLN 31 -13.878 -6.077 -4.786
706 H ASP 32 H ASP 32 -14.610 -3.555 0.314
707 HA ASP 32 HA ASP 32 -17.393 -3.568 0.733
708 1HB ASP 32 1HB ASP 32 -16.002 -5.527 1.243
709 2HB ASP 32 2HB ASP 32 -15.173 -4.620 2.505
710 H LYS 33 H LYS 33 -14.715 -1.917 2.144
711 HA LYS 33 HA LYS 33 -16.092 -0.829 4.397
712 1HB LYS 33 1HB LYS 33 -13.445 -0.219 3.085
713 2HB LYS 33 2HB LYS 33 -14.028 0.661 4.493
714 1HG LYS 33 1HG LYS 33 -13.543 -2.309 4.361
715 2HG LYS 33 2HG LYS 33 -12.460 -1.121 5.087
716 1HD LYS 33 1HD LYS 33 -15.294 -1.671 5.968
717 2HD LYS 33 2HD LYS 33 -13.840 -2.273 6.768
718 1HE LYS 33 1HE LYS 33 -13.128 0.026 7.205
719 2HE LYS 33 2HE LYS 33 -14.578 0.629 6.403
720 1HZ LYS 33 1HZ LYS 33 -15.621 -1.036 8.220
721 2HZ LYS 33 2HZ LYS 33 -14.260 -0.476 9.056
722 3HZ LYS 33 3HZ LYS 33 -15.404 0.623 8.471
723 H GLU 34 H GLU 34 -15.519 0.148 1.088
724 HA GLU 34 HA GLU 34 -17.302 2.433 1.511
725 1HB GLU 34 1HB GLU 34 -14.999 3.309 1.578
726 2HB GLU 34 2HB GLU 34 -14.688 2.596 0.000
727 1HG GLU 34 1HG GLU 34 -15.104 4.939 -0.256
728 2HG GLU 34 2HG GLU 34 -16.437 4.031 -0.967
729 H GLY 35 H GLY 35 -15.401 0.966 -1.155
730 1HA GLY 35 1HA GLY 35 -17.662 1.301 -2.942
731 2HA GLY 35 2HA GLY 35 -17.285 -0.363 -2.539
732 H ILE 36 H ILE 36 -14.884 2.155 -2.896
733 HA ILE 36 HA ILE 36 -14.224 2.034 -5.536
734 HB ILE 36 HB ILE 36 -11.760 1.995 -4.085
735 1HG1 ILE 36 1HG1 ILE 36 -12.286 4.044 -2.658
736 2HG1 ILE 36 2HG1 ILE 36 -13.982 3.612 -2.842
737 1HG2 ILE 36 1HG2 ILE 36 -13.356 4.013 -5.604
738 2HG2 ILE 36 2HG2 ILE 36 -11.838 4.447 -4.817
739 3HG2 ILE 36 3HG2 ILE 36 -11.860 3.192 -6.060
740 1HD1 ILE 36 1HD1 ILE 36 -12.345 1.376 -1.983
741 2HD1 ILE 36 2HD1 ILE 36 -12.295 2.739 -0.866
742 3HD1 ILE 36 3HD1 ILE 36 -13.842 2.015 -1.303
743 HA PRO 37 HA PRO 37 -13.137 -2.204 -6.406
744 1HB PRO 37 1HB PRO 37 -11.439 -1.374 -8.519
745 2HB PRO 37 2HB PRO 37 -13.096 -1.957 -8.657
746 1HG PRO 37 1HG PRO 37 -12.051 0.806 -8.686
747 2HG PRO 37 2HG PRO 37 -13.526 0.150 -9.416
748 1HD PRO 37 1HD PRO 37 -13.565 1.717 -7.218
749 2HD PRO 37 2HD PRO 37 -14.754 0.426 -7.488
750 HA PRO 38 HA PRO 38 -9.339 -2.514 -4.103
751 1HB PRO 38 1HB PRO 38 -8.993 -4.994 -5.714
752 2HB PRO 38 2HB PRO 38 -8.920 -4.770 -3.964
753 1HG PRO 38 1HG PRO 38 -11.045 -5.902 -5.100
754 2HG PRO 38 2HG PRO 38 -11.228 -4.788 -3.734
755 1HD PRO 38 1HD PRO 38 -11.737 -4.328 -6.639
756 2HD PRO 38 2HD PRO 38 -12.612 -3.705 -5.227
757 H ASP 39 H ASP 39 -9.330 -3.259 -7.571
758 HA ASP 39 HA ASP 39 -6.548 -2.905 -7.933
759 1HB ASP 39 1HB ASP 39 -8.792 -2.733 -9.953
760 2HB ASP 39 2HB ASP 39 -7.078 -2.861 -10.341
761 H GLN 40 H GLN 40 -9.298 -0.704 -8.142
762 HA GLN 40 HA GLN 40 -8.006 1.412 -9.434
763 1HB GLN 40 1HB GLN 40 -10.477 1.215 -9.014
764 2HB GLN 40 2HB GLN 40 -10.173 1.689 -7.350
765 1HG GLN 40 1HG GLN 40 -9.167 3.794 -8.190
766 2HG GLN 40 2HG GLN 40 -9.640 3.318 -9.818
767 1HE2 GLN 40 2HE2 GLN 40 -11.962 2.174 -7.807
768 2HE2 GLN 40 1HE2 GLN 40 -13.086 3.481 -7.888
769 H GLN 41 H GLN 41 -8.104 0.489 -6.044
770 HA GLN 41 HA GLN 41 -7.058 2.796 -4.889
771 1HB GLN 41 1HB GLN 41 -6.667 -0.084 -4.070
772 2HB GLN 41 2HB GLN 41 -6.316 1.307 -3.055
773 1HG GLN 41 1HG GLN 41 -8.622 1.931 -2.997
774 2HG GLN 41 2HG GLN 41 -9.033 0.699 -4.190
775 1HE2 GLN 41 2HE2 GLN 41 -10.074 -0.910 -3.308
776 2HE2 GLN 41 1HE2 GLN 41 -9.764 -1.606 -1.758
777 H ARG 42 H ARG 42 -5.094 3.695 -4.783
778 HA ARG 42 HA ARG 42 -2.967 2.476 -6.313
779 1HB ARG 42 1HB ARG 42 -3.513 4.815 -6.750
780 2HB ARG 42 2HB ARG 42 -3.167 5.218 -5.076
781 1HG ARG 42 1HG ARG 42 -0.830 4.582 -5.402
782 2HG ARG 42 2HG ARG 42 -1.179 4.180 -7.086
783 1HD ARG 42 1HD ARG 42 -0.174 6.392 -6.909
784 2HD ARG 42 2HD ARG 42 -1.828 6.497 -7.507
785 HE ARG 42 HE ARG 42 -1.877 6.804 -4.728
786 1HH1 ARG 42 1HH1 ARG 42 -0.735 8.484 -7.560
787 2HH1 ARG 42 2HH1 ARG 42 -0.890 10.056 -6.848
788 1HH2 ARG 42 1HH2 ARG 42 -2.084 8.868 -3.784
789 2HH2 ARG 42 2HH2 ARG 42 -1.657 10.274 -4.701
790 H LEU 43 H LEU 43 -1.245 1.503 -5.465
791 HA LEU 43 HA LEU 43 -1.005 1.218 -2.621
792 1HB LEU 43 1HB LEU 43 0.408 0.128 -5.004
793 2HB LEU 43 2HB LEU 43 1.237 0.072 -3.463
794 HG LEU 43 HG LEU 43 -0.493 -1.295 -2.506
795 1HD1 LEU 43 1HD1 LEU 43 -2.369 -0.185 -3.746
796 2HD1 LEU 43 2HD1 LEU 43 -1.951 -1.188 -5.135
797 3HD1 LEU 43 3HD1 LEU 43 -2.483 -1.942 -3.632
798 1HD2 LEU 43 1HD2 LEU 43 1.266 -2.160 -4.322
799 2HD2 LEU 43 2HD2 LEU 43 0.138 -3.226 -3.483
800 3HD2 LEU 43 3HD2 LEU 43 -0.233 -2.653 -5.109
801 H ILE 44 H ILE 44 0.260 2.297 -1.250
802 HA ILE 44 HA ILE 44 2.504 3.864 -2.269
803 HB ILE 44 HB ILE 44 0.303 5.058 -0.585
804 1HG1 ILE 44 1HG1 ILE 44 1.256 5.724 -3.379
805 2HG1 ILE 44 2HG1 ILE 44 -0.230 4.865 -2.987
806 1HG2 ILE 44 1HG2 ILE 44 2.710 5.720 -0.050
807 2HG2 ILE 44 2HG2 ILE 44 2.719 6.500 -1.631
808 3HG2 ILE 44 3HG2 ILE 44 1.571 7.022 -0.399
809 1HD1 ILE 44 1HD1 ILE 44 -0.554 7.104 -1.526
810 2HD1 ILE 44 2HD1 ILE 44 0.383 7.726 -2.885
811 3HD1 ILE 44 3HD1 ILE 44 -1.145 6.893 -3.175
812 H PHE 45 H PHE 45 4.212 3.867 -0.937
813 HA PHE 45 HA PHE 45 3.834 2.960 1.837
814 1HB PHE 45 1HB PHE 45 6.085 2.104 0.002
815 2HB PHE 45 2HB PHE 45 5.841 1.585 1.666
816 HD1 PHE 45 HD1 PHE 45 4.127 1.576 -1.644
817 HD2 PHE 45 HD2 PHE 45 4.747 -0.402 2.072
818 HE1 PHE 45 HE1 PHE 45 2.791 -0.329 -2.441
819 HE2 PHE 45 HE2 PHE 45 3.412 -2.311 1.280
820 HZ PHE 45 HZ PHE 45 2.433 -2.277 -0.978
821 H ALA 46 H ALA 46 5.141 3.965 3.388
822 HA ALA 46 HA ALA 46 7.311 5.681 2.497
823 1HB ALA 46 1HB ALA 46 6.347 7.683 2.685
824 2HB ALA 46 2HB ALA 46 5.493 7.236 4.163
825 3HB ALA 46 3HB ALA 46 4.817 6.811 2.590
826 H GLY 47 H GLY 47 8.902 5.517 3.900
827 1HA GLY 47 1HA GLY 47 10.052 4.968 5.815
828 2HA GLY 47 2HA GLY 47 8.576 4.240 6.426
829 H LYS 48 H LYS 48 8.457 5.047 8.449
830 HA LYS 48 HA LYS 48 9.092 7.780 9.055
831 1HB LYS 48 1HB LYS 48 6.853 8.055 8.058
832 2HB LYS 48 2HB LYS 48 6.204 6.889 9.203
833 1HG LYS 48 1HG LYS 48 5.669 9.132 9.907
834 2HG LYS 48 2HG LYS 48 6.793 8.396 11.051
835 1HD LYS 48 1HD LYS 48 8.650 9.591 9.995
836 2HD LYS 48 2HD LYS 48 7.526 10.329 8.852
837 1HE LYS 48 1HE LYS 48 7.492 10.678 11.846
838 2HE LYS 48 2HE LYS 48 8.069 11.860 10.675
839 1HZ LYS 48 1HZ LYS 48 5.286 10.836 10.838
840 2HZ LYS 48 2HZ LYS 48 5.809 12.334 11.422
841 3HZ LYS 48 3HZ LYS 48 5.851 12.011 9.762
842 H GLN 49 H GLN 49 10.497 6.415 10.311
843 HA GLN 49 HA GLN 49 9.477 4.849 12.445
844 1HB GLN 49 1HB GLN 49 11.785 4.880 13.277
845 2HB GLN 49 2HB GLN 49 11.730 4.525 11.559
846 1HG GLN 49 1HG GLN 49 12.341 6.831 11.055
847 2HG GLN 49 2HG GLN 49 12.402 7.190 12.777
848 1HE2 GLN 49 2HE2 GLN 49 13.461 4.107 12.489
849 2HE2 GLN 49 1HE2 GLN 49 15.159 4.388 12.367
850 H LEU 50 H LEU 50 8.389 5.628 14.096
851 HA LEU 50 HA LEU 50 8.043 8.306 14.719
852 1HB LEU 50 1HB LEU 50 7.678 5.834 16.399
853 2HB LEU 50 2HB LEU 50 7.230 7.431 16.963
854 HG LEU 50 HG LEU 50 5.301 6.163 16.110
855 1HD1 LEU 50 1HD1 LEU 50 6.933 5.202 14.197
856 2HD1 LEU 50 2HD1 LEU 50 5.172 5.203 14.082
857 3HD1 LEU 50 3HD1 LEU 50 6.108 6.477 13.301
858 1HD2 LEU 50 1HD2 LEU 50 5.975 8.789 15.570
859 2HD2 LEU 50 2HD2 LEU 50 5.369 8.166 14.037
860 3HD2 LEU 50 3HD2 LEU 50 4.368 8.070 15.485
861 H GLU 51 H GLU 51 10.217 9.149 14.660
862 HA GLU 51 HA GLU 51 12.206 8.423 16.527
863 1HB GLU 51 1HB GLU 51 12.732 9.678 14.503
864 2HB GLU 51 2HB GLU 51 11.776 11.038 15.072
865 1HG GLU 51 1HG GLU 51 13.318 11.361 16.929
866 2HG GLU 51 2HG GLU 51 14.269 9.979 16.385
No H/Q in entry = 866