NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22389 |
2jo9   |
15153 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA PRO 5 HA PRO 5 0.454 -9.487 -5.321
2 1HB PRO 5 2HB PRO 5 -1.143 -11.891 -5.089
3 2HB PRO 5 1HB PRO 5 -0.176 -11.342 -6.457
4 1HG PRO 5 2HG PRO 5 0.432 -13.543 -4.955
5 2HG PRO 5 1HG PRO 5 1.633 -12.588 -5.842
6 1HD PRO 5 2HD PRO 5 0.942 -12.534 -2.931
7 2HD PRO 5 1HD PRO 5 2.535 -12.425 -3.714
8 H LEU 6 H LEU 6 -1.211 -8.154 -4.777
9 HA LEU 6 HA LEU 6 -2.326 -8.546 -2.131
10 1HB LEU 6 2HB LEU 6 -3.222 -6.216 -2.378
11 2HB LEU 6 1HB LEU 6 -1.488 -6.370 -2.365
12 HG LEU 6 HG LEU 6 -2.257 -4.633 -3.914
13 1HD1 LEU 6 1HD1 LEU 6 -1.011 -5.306 -5.899
14 2HD1 LEU 6 2HD1 LEU 6 -1.001 -6.975 -5.328
15 3HD1 LEU 6 3HD1 LEU 6 -0.160 -5.722 -4.414
16 1HD2 LEU 6 1HD2 LEU 6 -3.610 -6.872 -5.399
17 2HD2 LEU 6 2HD2 LEU 6 -3.396 -5.227 -6.000
18 3HD2 LEU 6 3HD2 LEU 6 -4.391 -5.525 -4.573
19 HA PRO 7 HA PRO 7 -6.473 -9.321 -3.620
20 1HB PRO 7 2HB PRO 7 -7.545 -9.374 -1.085
21 2HB PRO 7 1HB PRO 7 -6.659 -10.724 -1.798
22 1HG PRO 7 2HG PRO 7 -5.882 -9.081 0.430
23 2HG PRO 7 1HG PRO 7 -4.999 -10.436 -0.283
24 1HD PRO 7 2HD PRO 7 -4.670 -7.526 -0.724
25 2HD PRO 7 1HD PRO 7 -3.473 -8.826 -0.901
26 HA PRO 8 HA PRO 8 -6.714 -5.003 -3.264
27 1HB PRO 8 2HB PRO 8 -7.920 -4.367 -5.588
28 2HB PRO 8 1HB PRO 8 -6.283 -5.017 -5.488
29 1HG PRO 8 2HG PRO 8 -8.765 -6.320 -6.395
30 2HG PRO 8 1HG PRO 8 -7.084 -6.714 -6.784
31 1HD PRO 8 2HD PRO 8 -8.804 -7.983 -4.876
32 2HD PRO 8 1HD PRO 8 -7.106 -8.360 -5.235
33 H GLY 9 H GLY 9 -8.532 -5.301 -1.405
34 1HA GLY 9 2HA GLY 9 -10.121 -2.963 -2.156
35 2HA GLY 9 1HA GLY 9 -9.767 -3.519 -0.507
36 H TRP 10 H TRP 10 -7.100 -4.113 -1.506
37 HA TRP 10 HA TRP 10 -5.700 -1.695 -0.781
38 1HB TRP 10 2HB TRP 10 -4.674 -4.477 -1.435
39 2HB TRP 10 1HB TRP 10 -3.773 -3.192 -0.641
40 HD1 TRP 10 HD1 TRP 10 -6.660 -5.660 0.030
41 HE1 TRP 10 HE1 TRP 10 -6.836 -6.019 2.571
42 HE3 TRP 10 HE3 TRP 10 -3.227 -2.218 1.561
43 HZ2 TRP 10 HZ2 TRP 10 -5.653 -4.983 4.923
44 HZ3 TRP 10 HZ3 TRP 10 -2.800 -1.965 3.959
45 HH2 TRP 10 HH2 TRP 10 -3.975 -3.329 5.608
46 H GLU 11 H GLU 11 -3.959 -0.877 -2.125
47 HA GLU 11 HA GLU 11 -4.106 -1.669 -4.922
48 1HB GLU 11 2HB GLU 11 -4.068 0.634 -5.674
49 2HB GLU 11 1HB GLU 11 -5.484 0.397 -4.655
50 1HG GLU 11 2HG GLU 11 -4.637 1.670 -2.952
51 2HG GLU 11 1HG GLU 11 -2.968 1.376 -3.436
52 H LYS 12 H LYS 12 -2.104 -1.263 -6.003
53 HA LYS 12 HA LYS 12 0.081 -1.403 -4.132
54 1HB LYS 12 2HB LYS 12 -0.187 -3.020 -6.004
55 2HB LYS 12 1HB LYS 12 -0.033 -1.703 -7.157
56 1HG LYS 12 2HG LYS 12 2.075 -2.287 -5.161
57 2HG LYS 12 1HG LYS 12 2.012 -3.162 -6.692
58 1HD LYS 12 2HD LYS 12 2.037 -0.914 -7.841
59 2HD LYS 12 1HD LYS 12 2.347 -0.187 -6.256
60 1HE LYS 12 2HE LYS 12 4.440 -1.344 -6.079
61 2HE LYS 12 1HE LYS 12 4.103 -2.297 -7.521
62 1HZ LYS 12 1HZ LYS 12 5.582 -0.610 -8.175
63 2HZ LYS 12 2HZ LYS 12 4.715 0.599 -7.360
64 3HZ LYS 12 3HZ LYS 12 4.065 -0.119 -8.751
65 H ARG 13 H ARG 13 0.656 0.608 -3.462
66 HA ARG 13 HA ARG 13 1.416 2.526 -5.567
67 1HB ARG 13 2HB ARG 13 0.742 3.075 -2.672
68 2HB ARG 13 1HB ARG 13 1.400 4.268 -3.778
69 1HG ARG 13 2HG ARG 13 -0.581 4.101 -5.168
70 2HG ARG 13 1HG ARG 13 -1.242 2.862 -4.096
71 1HD ARG 13 2HD ARG 13 -2.165 4.486 -2.891
72 2HD ARG 13 1HD ARG 13 -0.543 4.993 -2.429
73 HE ARG 13 HE ARG 13 -2.054 6.095 -4.712
74 1HH1 ARG 13 1HH1 ARG 13 0.327 6.433 -2.161
75 2HH1 ARG 13 2HH1 ARG 13 0.515 8.142 -2.384
76 1HH2 ARG 13 1HH2 ARG 13 -1.818 8.366 -5.008
77 2HH2 ARG 13 2HH2 ARG 13 -0.692 9.239 -4.004
78 H THR 14 H THR 14 3.507 2.823 -5.862
79 HA THR 14 HA THR 14 5.415 1.909 -3.867
80 HB THR 14 HB THR 14 6.772 3.289 -5.935
81 HG1 THR 14 HG1 THR 14 5.476 3.117 -7.605
82 1HG2 THR 14 1HG2 THR 14 7.539 1.229 -4.824
83 2HG2 THR 14 2HG2 THR 14 7.595 1.098 -6.578
84 3HG2 THR 14 3HG2 THR 14 6.293 0.316 -5.679
85 H ASP 15 H ASP 15 6.818 3.334 -2.761
86 HA ASP 15 HA ASP 15 6.063 6.150 -2.848
87 1HB ASP 15 2HB ASP 15 7.550 6.514 -0.966
88 2HB ASP 15 1HB ASP 15 6.508 5.147 -0.609
89 H SER 16 H SER 16 7.937 7.730 -3.172
90 HA SER 16 HA SER 16 7.950 7.815 -5.775
91 1HB SER 16 2HB SER 16 10.301 8.788 -4.159
92 2HB SER 16 1HB SER 16 9.770 9.415 -5.720
93 HG SER 16 HG SER 16 8.074 10.362 -4.801
94 H ASN 17 H ASN 17 10.822 6.238 -4.170
95 HA ASN 17 HA ASN 17 11.771 5.699 -6.882
96 1HB ASN 17 2HB ASN 17 13.356 6.538 -5.174
97 2HB ASN 17 1HB ASN 17 13.079 5.084 -4.224
98 1HD2 ASN 17 1HD2 ASN 17 14.634 6.463 -6.960
99 2HD2 ASN 17 2HD2 ASN 17 15.597 5.083 -7.380
100 H GLY 18 H GLY 18 11.910 3.653 -4.007
101 1HA GLY 18 2HA GLY 18 11.762 1.341 -5.756
102 2HA GLY 18 1HA GLY 18 12.356 1.363 -4.121
103 H ARG 19 H ARG 19 10.014 2.388 -2.839
104 HA ARG 19 HA ARG 19 9.462 -0.448 -2.426
105 1HB ARG 19 2HB ARG 19 10.491 0.977 -0.688
106 2HB ARG 19 1HB ARG 19 9.013 1.920 -0.632
107 1HG ARG 19 2HG ARG 19 7.877 -0.316 -0.044
108 2HG ARG 19 1HG ARG 19 9.521 -0.843 0.353
109 1HD ARG 19 2HD ARG 19 9.577 1.487 1.583
110 2HD ARG 19 1HD ARG 19 7.831 1.253 1.615
111 HE ARG 19 HE ARG 19 8.600 -1.043 2.656
112 1HH1 ARG 19 1HH1 ARG 19 9.867 2.158 3.194
113 2HH1 ARG 19 2HH1 ARG 19 10.451 1.820 4.797
114 1HH2 ARG 19 1HH2 ARG 19 9.354 -1.513 4.800
115 2HH2 ARG 19 2HH2 ARG 19 10.119 -0.241 5.723
116 H VAL 20 H VAL 20 7.532 -1.393 -2.529
117 HA VAL 20 HA VAL 20 5.170 0.254 -2.954
118 HB VAL 20 HB VAL 20 5.336 -1.565 -4.515
119 1HG1 VAL 20 1HG1 VAL 20 5.436 -3.415 -2.136
120 2HG1 VAL 20 2HG1 VAL 20 6.777 -3.043 -3.218
121 3HG1 VAL 20 3HG1 VAL 20 5.367 -3.907 -3.829
122 1HG2 VAL 20 1HG2 VAL 20 3.198 -2.151 -2.441
123 2HG2 VAL 20 2HG2 VAL 20 3.179 -2.706 -4.112
124 3HG2 VAL 20 3HG2 VAL 20 3.069 -0.984 -3.757
125 H TYR 21 H TYR 21 3.633 0.493 -1.568
126 HA TYR 21 HA TYR 21 3.421 -1.313 0.702
127 1HB TYR 21 2HB TYR 21 2.601 0.630 2.048
128 2HB TYR 21 1HB TYR 21 4.296 0.736 1.584
129 HD1 TYR 21 HD1 TYR 21 0.908 2.067 0.831
130 HD2 TYR 21 HD2 TYR 21 5.103 2.452 0.238
131 HE1 TYR 21 HE1 TYR 21 0.558 4.272 -0.206
132 HE2 TYR 21 HE2 TYR 21 4.781 4.645 -0.781
133 HH TYR 21 HH TYR 21 3.061 5.930 -1.883
134 H PHE 22 H PHE 22 1.349 -1.824 1.342
135 HA PHE 22 HA PHE 22 -0.525 -1.657 -0.885
136 1HB PHE 22 2HB PHE 22 -0.680 -3.276 1.683
137 2HB PHE 22 1HB PHE 22 -1.728 -3.448 0.279
138 HD1 PHE 22 HD1 PHE 22 -0.888 -4.461 -1.793
139 HD2 PHE 22 HD2 PHE 22 1.539 -4.181 1.696
140 HE1 PHE 22 HE1 PHE 22 0.677 -6.103 -2.746
141 HE2 PHE 22 HE2 PHE 22 3.103 -5.825 0.748
142 HZ PHE 22 HZ PHE 22 2.672 -6.784 -1.481
143 H VAL 23 H VAL 23 -2.172 -0.317 -0.869
144 HA VAL 23 HA VAL 23 -2.888 0.994 1.664
145 HB VAL 23 HB VAL 23 -1.856 2.768 0.725
146 1HG1 VAL 23 1HG1 VAL 23 -0.943 1.469 -1.139
147 2HG1 VAL 23 2HG1 VAL 23 -1.434 3.079 -1.661
148 3HG1 VAL 23 3HG1 VAL 23 -2.450 1.688 -2.032
149 1HG2 VAL 23 1HG2 VAL 23 -4.180 3.480 0.772
150 2HG2 VAL 23 2HG2 VAL 23 -4.427 2.849 -0.854
151 3HG2 VAL 23 3HG2 VAL 23 -3.341 4.213 -0.598
152 H ASN 24 H ASN 24 -4.987 1.065 2.172
153 HA ASN 24 HA ASN 24 -6.880 -0.063 0.225
154 1HB ASN 24 2HB ASN 24 -6.586 -1.182 2.460
155 2HB ASN 24 1HB ASN 24 -7.222 0.269 3.220
156 1HD2 ASN 24 1HD2 ASN 24 -8.242 -2.437 3.322
157 2HD2 ASN 24 2HD2 ASN 24 -9.845 -2.386 2.685
158 H HIS 25 H HIS 25 -8.572 1.085 -0.517
159 HA HIS 25 HA HIS 25 -8.567 3.926 -0.039
160 1HB HIS 25 2HB HIS 25 -9.979 2.108 -1.939
161 2HB HIS 25 1HB HIS 25 -10.624 3.724 -1.672
162 HD1 HIS 25 HD1 HIS 25 -9.646 5.518 -3.053
163 HD2 HIS 25 HD2 HIS 25 -7.170 2.191 -2.835
164 HE1 HIS 25 HE1 HIS 25 -7.739 5.990 -4.622
165 HE2 HIS 25 HE2 HIS 25 -6.112 4.097 -4.224
166 H ASN 26 H ASN 26 -10.479 1.209 0.987
167 HA ASN 26 HA ASN 26 -12.812 2.756 1.624
168 1HB ASN 26 2HB ASN 26 -12.008 -0.067 2.333
169 2HB ASN 26 1HB ASN 26 -13.539 0.651 2.818
170 1HD2 ASN 26 1HD2 ASN 26 -11.692 -0.683 0.228
171 2HD2 ASN 26 2HD2 ASN 26 -12.965 -0.725 -0.939
172 H THR 27 H THR 27 -10.125 1.405 3.458
173 HA THR 27 HA THR 27 -11.112 2.570 5.924
174 HB THR 27 HB THR 27 -9.139 1.536 6.932
175 HG1 THR 27 HG1 THR 27 -7.839 0.182 5.640
176 1HG2 THR 27 1HG2 THR 27 -9.859 -0.792 6.616
177 2HG2 THR 27 2HG2 THR 27 -10.802 -0.288 5.210
178 3HG2 THR 27 3HG2 THR 27 -11.225 0.304 6.818
179 H ARG 28 H ARG 28 -9.017 3.309 3.348
180 HA ARG 28 HA ARG 28 -7.585 4.989 2.863
181 1HB ARG 28 2HB ARG 28 -8.796 6.429 5.230
182 2HB ARG 28 1HB ARG 28 -7.897 7.152 3.906
183 1HG ARG 28 2HG ARG 28 -9.679 6.455 2.357
184 2HG ARG 28 1HG ARG 28 -10.592 5.832 3.735
185 1HD ARG 28 2HD ARG 28 -9.797 8.682 3.178
186 2HD ARG 28 1HD ARG 28 -11.424 8.008 3.238
187 HE ARG 28 HE ARG 28 -9.894 7.798 5.696
188 1HH1 ARG 28 1HH1 ARG 28 -12.226 9.626 3.820
189 2HH1 ARG 28 2HH1 ARG 28 -12.847 10.486 5.202
190 1HH2 ARG 28 1HH2 ARG 28 -10.702 8.936 7.503
191 2HH2 ARG 28 2HH2 ARG 28 -11.960 10.118 7.290
192 H ILE 29 H ILE 29 -6.103 3.235 3.775
193 HA ILE 29 HA ILE 29 -4.347 4.548 5.688
194 HB ILE 29 HB ILE 29 -5.829 3.042 7.035
195 1HG1 ILE 29 2HG1 ILE 29 -2.915 2.216 6.936
196 2HG1 ILE 29 1HG1 ILE 29 -3.546 3.628 7.778
197 1HG2 ILE 29 1HG2 ILE 29 -6.170 1.290 5.368
198 2HG2 ILE 29 2HG2 ILE 29 -5.542 0.622 6.873
199 3HG2 ILE 29 3HG2 ILE 29 -4.469 0.835 5.488
200 1HD1 ILE 29 1HD1 ILE 29 -3.122 1.832 9.332
201 2HD1 ILE 29 2HD1 ILE 29 -4.167 0.753 8.407
202 3HD1 ILE 29 3HD1 ILE 29 -4.855 2.151 9.234
203 H THR 30 H THR 30 -2.226 3.980 5.502
204 HA THR 30 HA THR 30 -1.506 2.323 3.181
205 HB THR 30 HB THR 30 0.689 3.705 3.429
206 HG1 THR 30 HG1 THR 30 0.289 5.765 4.429
207 1HG2 THR 30 1HG2 THR 30 -0.851 3.979 1.549
208 2HG2 THR 30 2HG2 THR 30 -0.256 5.551 2.088
209 3HG2 THR 30 3HG2 THR 30 -1.879 5.024 2.530
210 H GLN 31 H GLN 31 -0.591 0.404 3.698
211 HA GLN 31 HA GLN 31 0.802 0.237 6.273
212 1HB GLN 31 2HB GLN 31 -0.967 -1.789 5.014
213 2HB GLN 31 1HB GLN 31 0.037 -2.121 6.408
214 1HG GLN 31 2HG GLN 31 -1.174 -0.282 7.592
215 2HG GLN 31 1HG GLN 31 -2.268 -0.198 6.213
216 1HE2 GLN 31 1HE2 GLN 31 -4.052 -0.774 7.440
217 2HE2 GLN 31 2HE2 GLN 31 -4.290 -2.377 8.038
218 H TRP 32 H TRP 32 2.638 -1.015 6.418
219 HA TRP 32 HA TRP 32 4.026 -1.533 3.918
220 1HB TRP 32 2HB TRP 32 4.943 -2.013 6.768
221 2HB TRP 32 1HB TRP 32 5.956 -2.012 5.333
222 HD1 TRP 32 HD1 TRP 32 5.263 0.086 8.148
223 HE1 TRP 32 HE1 TRP 32 5.806 2.554 7.685
224 HE3 TRP 32 HE3 TRP 32 5.530 -0.077 3.046
225 HZ2 TRP 32 HZ2 TRP 32 6.268 4.216 5.461
226 HZ3 TRP 32 HZ3 TRP 32 6.017 2.005 1.831
227 HH2 TRP 32 HH2 TRP 32 6.379 4.103 3.011
228 H GLU 33 H GLU 33 1.809 -3.121 5.656
229 HA GLU 33 HA GLU 33 3.143 -5.723 5.748
230 1HB GLU 33 2HB GLU 33 0.495 -4.941 6.969
231 2HB GLU 33 1HB GLU 33 1.465 -6.359 7.341
232 1HG GLU 33 2HG GLU 33 2.271 -3.515 7.908
233 2HG GLU 33 1HG GLU 33 1.573 -4.630 9.082
234 H ASP 34 H ASP 34 2.315 -7.502 4.739
235 HA ASP 34 HA ASP 34 -0.005 -7.098 2.981
236 1HB ASP 34 2HB ASP 34 1.639 -7.856 1.549
237 2HB ASP 34 1HB ASP 34 2.440 -8.800 2.800
238 HA PRO 35 HA PRO 35 -2.379 -9.193 6.204
239 1HB PRO 35 2HB PRO 35 -4.145 -9.651 3.897
240 2HB PRO 35 1HB PRO 35 -4.488 -8.871 5.438
241 1HG PRO 35 2HG PRO 35 -4.010 -7.611 2.978
242 2HG PRO 35 1HG PRO 35 -4.107 -6.834 4.561
243 1HD PRO 35 2HD PRO 35 -1.832 -7.090 2.897
244 2HD PRO 35 1HD PRO 35 -1.890 -6.446 4.543
245 1H GLU 101 1H GLU 101 12.851 1.354 11.691
246 2H GLU 101 2H GLU 101 11.244 0.816 11.768
247 3H GLU 101 3H GLU 101 12.215 0.781 13.157
248 HA GLU 101 HA GLU 101 10.581 2.610 13.102
249 1HB GLU 101 2HB GLU 101 13.497 3.412 13.144
250 2HB GLU 101 1HB GLU 101 12.176 4.366 13.800
251 1HG GLU 101 2HG GLU 101 13.230 3.284 15.615
252 2HG GLU 101 1HG GLU 101 11.694 2.461 15.352
253 H GLU 102 H GLU 102 9.704 2.649 10.875
254 HA GLU 102 HA GLU 102 10.764 5.049 9.511
255 1HB GLU 102 2HB GLU 102 9.333 2.746 8.163
256 2HB GLU 102 1HB GLU 102 10.069 4.134 7.377
257 1HG GLU 102 2HG GLU 102 12.264 3.356 7.923
258 2HG GLU 102 1HG GLU 102 11.608 2.064 8.927
259 HA PRO 103 HA PRO 103 6.476 6.330 9.995
260 1HB PRO 103 2HB PRO 103 6.443 8.449 8.340
261 2HB PRO 103 1HB PRO 103 7.278 8.499 9.896
262 1HG PRO 103 2HG PRO 103 8.401 8.112 7.155
263 2HG PRO 103 1HG PRO 103 9.038 9.070 8.503
264 1HD PRO 103 2HD PRO 103 9.930 6.555 7.833
265 2HD PRO 103 1HD PRO 103 10.064 7.261 9.455
266 HA PRO 104 HA PRO 104 4.521 4.891 6.144
267 1HB PRO 104 2HB PRO 104 2.001 5.742 7.308
268 2HB PRO 104 1HB PRO 104 2.544 4.104 6.941
269 1HG PRO 104 2HG PRO 104 2.201 5.039 9.482
270 2HG PRO 104 1HG PRO 104 3.354 3.761 9.056
271 1HD PRO 104 2HD PRO 104 3.846 6.673 9.558
272 2HD PRO 104 1HD PRO 104 4.814 5.263 10.043
273 HA PRO 105 HA PRO 105 3.698 9.008 4.481
274 1HB PRO 105 2HB PRO 105 2.749 8.286 2.050
275 2HB PRO 105 1HB PRO 105 4.472 8.238 2.439
276 1HG PRO 105 2HG PRO 105 2.498 6.011 2.288
277 2HG PRO 105 1HG PRO 105 4.207 6.034 1.825
278 1HD PRO 105 2HD PRO 105 3.226 4.966 4.183
279 2HD PRO 105 1HD PRO 105 4.900 5.496 3.933
280 HA PRO 106 HA PRO 106 -0.579 9.171 5.509
281 1HB PRO 106 2HB PRO 106 -0.874 11.782 4.293
282 2HB PRO 106 1HB PRO 106 -0.741 11.375 6.004
283 1HG PRO 106 2HG PRO 106 1.185 12.726 4.610
284 2HG PRO 106 1HG PRO 106 1.517 11.739 6.043
285 1HD PRO 106 2HD PRO 106 1.889 11.069 3.149
286 2HD PRO 106 1HD PRO 106 2.926 10.680 4.540
287 H TYR 107 H TYR 107 -2.614 8.890 4.615
288 HA TYR 107 HA TYR 107 -2.638 8.268 1.817
289 1HB TYR 107 2HB TYR 107 -3.903 6.828 3.288
290 2HB TYR 107 1HB TYR 107 -4.863 8.183 3.873
291 HD1 TYR 107 HD2 TYR 107 -4.172 6.039 0.953
292 HD2 TYR 107 HD1 TYR 107 -6.742 8.984 2.627
293 HE1 TYR 107 HE2 TYR 107 -5.770 5.674 -0.873
294 HE2 TYR 107 HE1 TYR 107 -8.343 8.636 0.799
295 HH TYR 107 HH TYR 107 -8.494 7.747 -1.382
296 H GLU 108 H GLU 108 -2.395 10.003 0.637
297 HA GLU 108 HA GLU 108 -4.732 11.554 0.103
298 1HB GLU 108 2HB GLU 108 -3.410 12.764 2.001
299 2HB GLU 108 1HB GLU 108 -2.258 13.151 0.729
300 1HG GLU 108 2HG GLU 108 -3.652 15.009 0.834
301 2HG GLU 108 1HG GLU 108 -4.242 14.085 -0.551
302 H ASP 109 H ASP 109 -4.769 11.260 -2.038
303 HA ASP 109 HA ASP 109 -2.451 10.460 -3.469
304 1HB ASP 109 2HB ASP 109 -4.704 9.654 -4.061
305 2HB ASP 109 1HB ASP 109 -5.145 11.284 -4.568
Start of MODEL 2
1 HA PRO 5 HA PRO 5 1.171 -9.587 -4.484
2 1HB PRO 5 2HB PRO 5 -0.657 -11.877 -4.731
3 2HB PRO 5 1HB PRO 5 0.437 -11.194 -5.937
4 1HG PRO 5 2HG PRO 5 0.883 -13.591 -4.783
5 2HG PRO 5 1HG PRO 5 2.202 -12.516 -5.277
6 1HD PRO 5 2HD PRO 5 1.076 -13.010 -2.549
7 2HD PRO 5 1HD PRO 5 2.765 -12.778 -3.046
8 H LEU 6 H LEU 6 -0.793 -8.366 -4.486
9 HA LEU 6 HA LEU 6 -1.989 -8.472 -1.847
10 1HB LEU 6 2HB LEU 6 -2.860 -6.226 -2.271
11 2HB LEU 6 1HB LEU 6 -1.128 -6.321 -2.441
12 HG LEU 6 HG LEU 6 -1.985 -4.792 -4.065
13 1HD1 LEU 6 1HD1 LEU 6 -1.227 -7.360 -5.442
14 2HD1 LEU 6 2HD1 LEU 6 -0.131 -6.120 -4.833
15 3HD1 LEU 6 3HD1 LEU 6 -1.220 -5.751 -6.169
16 1HD2 LEU 6 1HD2 LEU 6 -4.274 -5.502 -4.186
17 2HD2 LEU 6 2HD2 LEU 6 -3.809 -6.990 -5.014
18 3HD2 LEU 6 3HD2 LEU 6 -3.579 -5.429 -5.806
19 HA PRO 7 HA PRO 7 -5.972 -9.751 -3.407
20 1HB PRO 7 2HB PRO 7 -7.215 -9.796 -1.022
21 2HB PRO 7 1HB PRO 7 -5.970 -10.983 -1.421
22 1HG PRO 7 2HG PRO 7 -5.856 -8.709 0.455
23 2HG PRO 7 1HG PRO 7 -4.863 -10.172 0.398
24 1HD PRO 7 2HD PRO 7 -4.250 -7.540 -0.622
25 2HD PRO 7 1HD PRO 7 -3.211 -8.972 -0.591
26 HA PRO 8 HA PRO 8 -6.651 -5.466 -3.435
27 1HB PRO 8 2HB PRO 8 -7.760 -5.141 -5.873
28 2HB PRO 8 1HB PRO 8 -6.069 -5.586 -5.632
29 1HG PRO 8 2HG PRO 8 -8.331 -7.234 -6.574
30 2HG PRO 8 1HG PRO 8 -6.595 -7.447 -6.838
31 1HD PRO 8 2HD PRO 8 -8.262 -8.793 -4.941
32 2HD PRO 8 1HD PRO 8 -6.510 -8.967 -5.166
33 H GLY 9 H GLY 9 -8.513 -5.875 -1.670
34 1HA GLY 9 2HA GLY 9 -10.354 -3.845 -2.684
35 2HA GLY 9 1HA GLY 9 -10.029 -4.227 -0.980
36 H TRP 10 H TRP 10 -7.233 -4.497 -1.702
37 HA TRP 10 HA TRP 10 -6.281 -1.825 -1.162
38 1HB TRP 10 2HB TRP 10 -4.781 -4.448 -1.423
39 2HB TRP 10 1HB TRP 10 -4.161 -2.960 -0.728
40 HD1 TRP 10 HD1 TRP 10 -6.926 -5.590 0.054
41 HE1 TRP 10 HE1 TRP 10 -7.099 -5.802 2.619
42 HE3 TRP 10 HE3 TRP 10 -3.540 -2.003 1.391
43 HZ2 TRP 10 HZ2 TRP 10 -5.929 -4.630 4.889
44 HZ3 TRP 10 HZ3 TRP 10 -3.113 -1.629 3.775
45 HH2 TRP 10 HH2 TRP 10 -4.275 -2.925 5.490
46 H GLU 11 H GLU 11 -4.720 -0.791 -2.445
47 HA GLU 11 HA GLU 11 -4.332 -1.931 -5.132
48 1HB GLU 11 2HB GLU 11 -3.995 0.330 -5.939
49 2HB GLU 11 1HB GLU 11 -5.542 0.253 -5.101
50 1HG GLU 11 2HG GLU 11 -3.905 0.941 -3.080
51 2HG GLU 11 1HG GLU 11 -3.097 1.720 -4.438
52 H LYS 12 H LYS 12 -2.173 -1.853 -5.919
53 HA LYS 12 HA LYS 12 -0.200 -1.730 -3.796
54 1HB LYS 12 2HB LYS 12 -0.370 -3.724 -5.266
55 2HB LYS 12 1HB LYS 12 -0.009 -2.711 -6.658
56 1HG LYS 12 2HG LYS 12 1.837 -2.736 -4.367
57 2HG LYS 12 1HG LYS 12 1.859 -4.103 -5.483
58 1HD LYS 12 2HD LYS 12 2.195 -1.197 -6.246
59 2HD LYS 12 1HD LYS 12 3.515 -2.367 -6.083
60 1HE LYS 12 2HE LYS 12 2.560 -3.724 -7.860
61 2HE LYS 12 1HE LYS 12 1.196 -2.616 -7.999
62 1HZ LYS 12 1HZ LYS 12 2.695 -0.884 -8.715
63 2HZ LYS 12 2HZ LYS 12 2.873 -2.244 -9.713
64 3HZ LYS 12 3HZ LYS 12 4.037 -1.908 -8.523
65 H ARG 13 H ARG 13 0.726 0.236 -3.516
66 HA ARG 13 HA ARG 13 1.458 1.745 -5.936
67 1HB ARG 13 2HB ARG 13 0.495 2.887 -3.312
68 2HB ARG 13 1HB ARG 13 1.205 3.842 -4.601
69 1HG ARG 13 2HG ARG 13 -0.648 3.116 -6.088
70 2HG ARG 13 1HG ARG 13 -1.377 2.300 -4.703
71 1HD ARG 13 2HD ARG 13 -1.528 4.407 -3.507
72 2HD ARG 13 1HD ARG 13 -0.725 5.246 -4.833
73 HE ARG 13 HE ARG 13 -3.264 3.878 -5.375
74 1HH1 ARG 13 1HH1 ARG 13 -1.509 6.887 -4.912
75 2HH1 ARG 13 2HH1 ARG 13 -2.781 7.869 -5.559
76 1HH2 ARG 13 1HH2 ARG 13 -4.929 5.175 -6.223
77 2HH2 ARG 13 2HH2 ARG 13 -4.733 6.907 -6.297
78 H THR 14 H THR 14 3.476 2.400 -6.102
79 HA THR 14 HA THR 14 5.352 2.072 -3.902
80 HB THR 14 HB THR 14 6.733 3.343 -5.935
81 HG1 THR 14 HG1 THR 14 6.080 2.096 -7.839
82 1HG2 THR 14 1HG2 THR 14 7.539 0.988 -6.520
83 2HG2 THR 14 2HG2 THR 14 6.424 0.421 -5.274
84 3HG2 THR 14 3HG2 THR 14 7.745 1.521 -4.854
85 H ASP 15 H ASP 15 6.463 3.824 -2.958
86 HA ASP 15 HA ASP 15 5.317 6.462 -3.489
87 1HB ASP 15 2HB ASP 15 6.692 7.311 -1.672
88 2HB ASP 15 1HB ASP 15 5.875 5.866 -1.103
89 H SER 16 H SER 16 6.957 8.195 -4.109
90 HA SER 16 HA SER 16 7.167 7.804 -6.679
91 1HB SER 16 2HB SER 16 9.263 9.350 -5.155
92 2HB SER 16 1HB SER 16 8.776 9.613 -6.832
93 HG SER 16 HG SER 16 7.308 10.873 -6.041
94 H ASN 17 H ASN 17 10.050 7.001 -4.628
95 HA ASN 17 HA ASN 17 11.286 6.034 -7.086
96 1HB ASN 17 2HB ASN 17 12.486 7.499 -5.314
97 2HB ASN 17 1HB ASN 17 12.655 5.990 -4.420
98 1HD2 ASN 17 1HD2 ASN 17 14.909 6.030 -4.635
99 2HD2 ASN 17 2HD2 ASN 17 15.685 5.684 -6.143
100 H GLY 18 H GLY 18 11.410 4.726 -3.782
101 1HA GLY 18 2HA GLY 18 11.844 2.126 -4.991
102 2HA GLY 18 1HA GLY 18 12.248 2.577 -3.358
103 H ARG 19 H ARG 19 9.468 3.370 -2.575
104 HA ARG 19 HA ARG 19 9.413 0.586 -1.640
105 1HB ARG 19 2HB ARG 19 8.232 3.068 -0.437
106 2HB ARG 19 1HB ARG 19 8.140 1.476 0.283
107 1HG ARG 19 2HG ARG 19 10.528 1.415 0.562
108 2HG ARG 19 1HG ARG 19 10.690 2.964 -0.275
109 1HD ARG 19 2HD ARG 19 8.998 2.630 2.181
110 2HD ARG 19 1HD ARG 19 10.719 3.024 2.273
111 HE ARG 19 HE ARG 19 9.298 4.791 0.533
112 1HH1 ARG 19 1HH1 ARG 19 9.927 4.117 3.932
113 2HH1 ARG 19 2HH1 ARG 19 9.695 5.772 4.409
114 1HH2 ARG 19 1HH2 ARG 19 8.988 6.920 1.157
115 2HH2 ARG 19 2HH2 ARG 19 9.182 7.387 2.830
116 H VAL 20 H VAL 20 7.884 -0.766 -1.954
117 HA VAL 20 HA VAL 20 5.284 0.094 -2.947
118 HB VAL 20 HB VAL 20 6.246 -1.735 -4.186
119 1HG1 VAL 20 1HG1 VAL 20 7.771 -2.623 -2.517
120 2HG1 VAL 20 2HG1 VAL 20 6.750 -3.907 -3.163
121 3HG1 VAL 20 3HG1 VAL 20 6.411 -3.228 -1.572
122 1HG2 VAL 20 1HG2 VAL 20 3.832 -1.774 -3.887
123 2HG2 VAL 20 2HG2 VAL 20 4.017 -2.713 -2.405
124 3HG2 VAL 20 3HG2 VAL 20 4.475 -3.415 -3.958
125 H TYR 21 H TYR 21 3.539 0.097 -1.721
126 HA TYR 21 HA TYR 21 3.441 -1.425 0.721
127 1HB TYR 21 2HB TYR 21 2.723 0.568 2.051
128 2HB TYR 21 1HB TYR 21 4.411 0.584 1.567
129 HD1 TYR 21 HD1 TYR 21 1.067 1.976 0.609
130 HD2 TYR 21 HD2 TYR 21 5.301 2.416 0.491
131 HE1 TYR 21 HE1 TYR 21 0.808 4.230 -0.346
132 HE2 TYR 21 HE2 TYR 21 5.060 4.655 -0.455
133 HH TYR 21 HH TYR 21 3.453 5.976 -1.666
134 H PHE 22 H PHE 22 1.308 -1.642 1.600
135 HA PHE 22 HA PHE 22 -0.562 -1.762 -0.628
136 1HB PHE 22 2HB PHE 22 -0.775 -2.958 2.151
137 2HB PHE 22 1HB PHE 22 -1.829 -3.309 0.783
138 HD1 PHE 22 HD2 PHE 22 -0.922 -4.516 -1.195
139 HD2 PHE 22 HD1 PHE 22 1.305 -4.036 2.401
140 HE1 PHE 22 HE2 PHE 22 0.600 -6.320 -1.897
141 HE2 PHE 22 HE1 PHE 22 2.830 -5.834 1.702
142 HZ PHE 22 HZ PHE 22 2.474 -6.982 -0.447
143 H VAL 23 H VAL 23 -1.947 -0.265 -0.905
144 HA VAL 23 HA VAL 23 -2.842 1.370 1.363
145 HB VAL 23 HB VAL 23 -1.633 2.910 0.173
146 1HG1 VAL 23 1HG1 VAL 23 -2.389 1.479 -2.376
147 2HG1 VAL 23 2HG1 VAL 23 -0.826 1.436 -1.562
148 3HG1 VAL 23 3HG1 VAL 23 -1.398 2.934 -2.294
149 1HG2 VAL 23 1HG2 VAL 23 -3.070 4.370 -1.019
150 2HG2 VAL 23 2HG2 VAL 23 -4.061 3.570 0.204
151 3HG2 VAL 23 3HG2 VAL 23 -4.145 3.050 -1.477
152 H ASN 24 H ASN 24 -5.024 1.825 1.516
153 HA ASN 24 HA ASN 24 -6.784 0.628 -0.508
154 1HB ASN 24 2HB ASN 24 -6.391 -0.942 1.417
155 2HB ASN 24 1HB ASN 24 -7.131 0.256 2.473
156 1HD2 ASN 24 1HD2 ASN 24 -7.912 -2.475 1.879
157 2HD2 ASN 24 2HD2 ASN 24 -9.532 -2.392 1.282
158 H HIS 25 H HIS 25 -8.299 2.027 -1.128
159 HA HIS 25 HA HIS 25 -8.565 4.574 0.141
160 1HB HIS 25 2HB HIS 25 -10.177 3.293 -2.077
161 2HB HIS 25 1HB HIS 25 -10.421 4.940 -1.516
162 HD1 HIS 25 HD1 HIS 25 -8.221 6.527 -1.794
163 HD2 HIS 25 HD2 HIS 25 -8.335 3.047 -4.035
164 HE1 HIS 25 HE1 HIS 25 -6.510 6.835 -3.608
165 HE2 HIS 25 HE2 HIS 25 -6.397 4.583 -4.737
166 H ASN 26 H ASN 26 -10.369 1.583 0.232
167 HA ASN 26 HA ASN 26 -12.791 2.705 1.226
168 1HB ASN 26 2HB ASN 26 -12.410 0.418 0.071
169 2HB ASN 26 1HB ASN 26 -11.937 -0.148 1.668
170 1HD2 ASN 26 1HD2 ASN 26 -13.483 -0.383 3.267
171 2HD2 ASN 26 2HD2 ASN 26 -15.175 -0.295 2.930
172 H THR 27 H THR 27 -9.910 1.326 2.701
173 HA THR 27 HA THR 27 -10.979 1.703 5.378
174 HB THR 27 HB THR 27 -8.888 0.782 6.162
175 HG1 THR 27 HG1 THR 27 -7.186 0.836 4.908
176 1HG2 THR 27 1HG2 THR 27 -10.663 -0.777 5.541
177 2HG2 THR 27 2HG2 THR 27 -9.078 -1.468 5.201
178 3HG2 THR 27 3HG2 THR 27 -10.057 -0.820 3.886
179 H ARG 28 H ARG 28 -8.988 3.330 3.090
180 HA ARG 28 HA ARG 28 -7.943 5.340 3.060
181 1HB ARG 28 2HB ARG 28 -9.371 5.744 5.698
182 2HB ARG 28 1HB ARG 28 -8.469 6.998 4.856
183 1HG ARG 28 2HG ARG 28 -9.991 6.923 2.999
184 2HG ARG 28 1HG ARG 28 -10.841 5.545 3.703
185 1HD ARG 28 2HD ARG 28 -10.655 8.304 4.914
186 2HD ARG 28 1HD ARG 28 -12.043 7.657 4.043
187 HE ARG 28 HE ARG 28 -11.077 6.305 6.461
188 1HH1 ARG 28 1HH1 ARG 28 -13.580 8.055 4.750
189 2HH1 ARG 28 2HH1 ARG 28 -14.802 7.744 5.953
190 1HH2 ARG 28 1HH2 ARG 28 -12.678 5.902 8.065
191 2HH2 ARG 28 2HH2 ARG 28 -14.280 6.532 7.830
192 H ILE 29 H ILE 29 -6.628 3.036 4.009
193 HA ILE 29 HA ILE 29 -4.758 4.160 5.989
194 HB ILE 29 HB ILE 29 -5.839 1.331 5.926
195 1HG1 ILE 29 2HG1 ILE 29 -6.070 3.467 8.059
196 2HG1 ILE 29 1HG1 ILE 29 -7.345 3.051 6.920
197 1HG2 ILE 29 1HG2 ILE 29 -4.458 0.946 7.931
198 2HG2 ILE 29 2HG2 ILE 29 -3.732 2.538 7.713
199 3HG2 ILE 29 3HG2 ILE 29 -3.487 1.282 6.497
200 1HD1 ILE 29 1HD1 ILE 29 -6.157 1.222 8.993
201 2HD1 ILE 29 2HD1 ILE 29 -7.422 0.792 7.844
202 3HD1 ILE 29 3HD1 ILE 29 -7.730 2.016 9.077
203 H THR 30 H THR 30 -2.630 3.793 5.633
204 HA THR 30 HA THR 30 -1.869 2.092 3.358
205 HB THR 30 HB THR 30 0.288 3.554 3.494
206 HG1 THR 30 HG1 THR 30 0.189 5.230 4.782
207 1HG2 THR 30 1HG2 THR 30 -0.692 5.223 1.987
208 2HG2 THR 30 2HG2 THR 30 -2.309 4.720 2.482
209 3HG2 THR 30 3HG2 THR 30 -1.266 3.598 1.609
210 H GLN 31 H GLN 31 -1.096 0.190 4.105
211 HA GLN 31 HA GLN 31 0.497 0.236 6.588
212 1HB GLN 31 2HB GLN 31 -1.419 -1.892 5.644
213 2HB GLN 31 1HB GLN 31 -0.319 -2.086 6.995
214 1HG GLN 31 2HG GLN 31 -1.417 -0.137 8.082
215 2HG GLN 31 1HG GLN 31 -2.606 -0.161 6.779
216 1HE2 GLN 31 1HE2 GLN 31 -2.927 -0.591 9.670
217 2HE2 GLN 31 2HE2 GLN 31 -3.666 -2.152 9.824
218 H TRP 32 H TRP 32 2.249 -1.147 6.767
219 HA TRP 32 HA TRP 32 3.574 -1.852 4.326
220 1HB TRP 32 2HB TRP 32 4.314 -2.474 7.196
221 2HB TRP 32 1HB TRP 32 5.357 -2.723 5.804
222 HD1 TRP 32 HD1 TRP 32 4.859 -0.362 8.496
223 HE1 TRP 32 HE1 TRP 32 5.923 1.924 7.974
224 HE3 TRP 32 HE3 TRP 32 5.560 -0.918 3.456
225 HZ2 TRP 32 HZ2 TRP 32 6.923 3.311 5.722
226 HZ3 TRP 32 HZ3 TRP 32 6.573 0.937 2.195
227 HH2 TRP 32 HH2 TRP 32 7.238 3.007 3.305
228 H GLU 33 H GLU 33 1.446 -3.437 6.496
229 HA GLU 33 HA GLU 33 2.445 -6.104 5.904
230 1HB GLU 33 2HB GLU 33 0.215 -5.147 7.703
231 2HB GLU 33 1HB GLU 33 0.662 -6.833 7.495
232 1HG GLU 33 2HG GLU 33 2.481 -4.683 8.558
233 2HG GLU 33 1HG GLU 33 1.583 -5.840 9.541
234 H ASP 34 H ASP 34 1.460 -7.576 4.657
235 HA ASP 34 HA ASP 34 -1.000 -6.778 3.264
236 1HB ASP 34 2HB ASP 34 0.831 -7.392 1.778
237 2HB ASP 34 1HB ASP 34 1.022 -8.933 2.611
238 HA PRO 35 HA PRO 35 -3.456 -9.252 6.031
239 1HB PRO 35 2HB PRO 35 -5.046 -9.405 3.513
240 2HB PRO 35 1HB PRO 35 -5.565 -9.034 5.158
241 1HG PRO 35 2HG PRO 35 -5.223 -7.113 3.328
242 2HG PRO 35 1HG PRO 35 -4.856 -6.852 5.040
243 1HD PRO 35 2HD PRO 35 -3.028 -7.124 2.746
244 2HD PRO 35 1HD PRO 35 -2.761 -6.350 4.312
245 1H GLU 101 1H GLU 101 10.798 0.420 9.518
246 2H GLU 101 2H GLU 101 10.610 0.744 11.174
247 3H GLU 101 3H GLU 101 11.512 -0.596 10.670
248 HA GLU 101 HA GLU 101 12.957 1.165 11.411
249 1HB GLU 101 2HB GLU 101 13.750 -0.343 9.670
250 2HB GLU 101 1HB GLU 101 13.004 0.654 8.430
251 1HG GLU 101 2HG GLU 101 14.521 2.493 9.017
252 2HG GLU 101 1HG GLU 101 15.279 1.460 10.229
253 H GLU 102 H GLU 102 11.710 2.183 8.244
254 HA GLU 102 HA GLU 102 11.964 4.960 9.093
255 1HB GLU 102 2HB GLU 102 11.160 5.030 6.459
256 2HB GLU 102 1HB GLU 102 12.815 5.145 7.034
257 1HG GLU 102 2HG GLU 102 12.771 3.543 5.296
258 2HG GLU 102 1HG GLU 102 12.986 2.668 6.809
259 HA PRO 103 HA PRO 103 7.655 5.356 9.665
260 1HB PRO 103 2HB PRO 103 7.692 8.175 8.998
261 2HB PRO 103 1HB PRO 103 7.613 7.424 10.594
262 1HG PRO 103 2HG PRO 103 9.776 8.828 9.692
263 2HG PRO 103 1HG PRO 103 9.871 7.538 10.902
264 1HD PRO 103 2HD PRO 103 10.492 7.434 7.973
265 2HD PRO 103 1HD PRO 103 11.347 6.680 9.337
266 HA PRO 104 HA PRO 104 5.780 5.014 5.766
267 1HB PRO 104 2HB PRO 104 3.181 5.064 6.462
268 2HB PRO 104 1HB PRO 104 4.249 3.742 6.949
269 1HG PRO 104 2HG PRO 104 3.317 6.107 8.524
270 2HG PRO 104 1HG PRO 104 3.474 4.416 9.032
271 1HD PRO 104 2HD PRO 104 5.321 6.355 9.601
272 2HD PRO 104 1HD PRO 104 5.711 4.630 9.469
273 HA PRO 105 HA PRO 105 4.507 9.028 4.265
274 1HB PRO 105 2HB PRO 105 3.564 7.748 1.842
275 2HB PRO 105 1HB PRO 105 5.004 8.741 2.066
276 1HG PRO 105 2HG PRO 105 5.086 6.065 1.530
277 2HG PRO 105 1HG PRO 105 6.359 6.932 2.407
278 1HD PRO 105 2HD PRO 105 4.143 5.222 3.477
279 2HD PRO 105 1HD PRO 105 5.840 5.327 3.994
280 HA PRO 106 HA PRO 106 0.305 8.915 5.315
281 1HB PRO 106 2HB PRO 106 -0.221 11.468 4.084
282 2HB PRO 106 1HB PRO 106 0.055 11.106 5.787
283 1HG PRO 106 2HG PRO 106 1.791 12.540 4.224
284 2HG PRO 106 1HG PRO 106 2.280 11.624 5.660
285 1HD PRO 106 2HD PRO 106 2.496 10.882 2.770
286 2HD PRO 106 1HD PRO 106 3.652 10.610 4.093
287 H TYR 107 H TYR 107 -1.719 8.463 4.614
288 HA TYR 107 HA TYR 107 -2.162 7.965 1.823
289 1HB TYR 107 2HB TYR 107 -3.163 6.432 3.379
290 2HB TYR 107 1HB TYR 107 -3.946 7.740 4.261
291 HD1 TYR 107 HD2 TYR 107 -3.962 5.830 1.106
292 HD2 TYR 107 HD1 TYR 107 -6.038 8.609 3.554
293 HE1 TYR 107 HE2 TYR 107 -5.957 5.568 -0.317
294 HE2 TYR 107 HE1 TYR 107 -8.039 8.373 2.150
295 HH TYR 107 HH TYR 107 -8.654 7.715 -0.068
296 H GLU 108 H GLU 108 -3.129 9.278 0.374
297 HA GLU 108 HA GLU 108 -4.843 11.429 1.273
298 1HB GLU 108 2HB GLU 108 -3.502 13.110 -0.095
299 2HB GLU 108 1HB GLU 108 -2.830 12.631 1.457
300 1HG GLU 108 2HG GLU 108 -1.292 11.130 0.364
301 2HG GLU 108 1HG GLU 108 -2.011 11.496 -1.203
302 H ASP 109 H ASP 109 -6.572 11.095 0.064
303 HA ASP 109 HA ASP 109 -6.518 11.664 -2.702
304 1HB ASP 109 2HB ASP 109 -5.809 9.273 -2.826
305 2HB ASP 109 1HB ASP 109 -7.310 8.830 -2.022
Start of MODEL 3
1 HA PRO 5 HA PRO 5 0.377 -9.788 -4.801
2 1HB PRO 5 2HB PRO 5 -0.823 -12.344 -3.954
3 2HB PRO 5 1HB PRO 5 -0.423 -11.771 -5.571
4 1HG PRO 5 2HG PRO 5 1.067 -13.563 -3.961
5 2HG PRO 5 1HG PRO 5 1.538 -12.872 -5.520
6 1HD PRO 5 2HD PRO 5 2.745 -12.368 -3.041
7 2HD PRO 5 1HD PRO 5 2.983 -11.440 -4.533
8 H LEU 6 H LEU 6 -1.118 -8.339 -4.199
9 HA LEU 6 HA LEU 6 -2.384 -8.657 -1.614
10 1HB LEU 6 2HB LEU 6 -3.178 -6.350 -1.867
11 2HB LEU 6 1HB LEU 6 -1.444 -6.494 -1.972
12 HG LEU 6 HG LEU 6 -2.225 -4.792 -3.492
13 1HD1 LEU 6 1HD1 LEU 6 -1.363 -7.229 -5.034
14 2HD1 LEU 6 2HD1 LEU 6 -0.309 -6.061 -4.238
15 3HD1 LEU 6 3HD1 LEU 6 -1.301 -5.562 -5.609
16 1HD2 LEU 6 1HD2 LEU 6 -3.695 -5.268 -5.376
17 2HD2 LEU 6 2HD2 LEU 6 -4.498 -5.527 -3.827
18 3HD2 LEU 6 3HD2 LEU 6 -3.941 -6.908 -4.772
19 HA PRO 7 HA PRO 7 -6.381 -9.578 -3.368
20 1HB PRO 7 2HB PRO 7 -7.720 -9.552 -0.999
21 2HB PRO 7 1HB PRO 7 -6.607 -10.849 -1.441
22 1HG PRO 7 2HG PRO 7 -6.308 -8.799 0.611
23 2HG PRO 7 1HG PRO 7 -5.341 -10.252 0.344
24 1HD PRO 7 2HD PRO 7 -4.802 -7.491 -0.469
25 2HD PRO 7 1HD PRO 7 -3.687 -8.870 -0.416
26 HA PRO 8 HA PRO 8 -6.886 -5.274 -3.443
27 1HB PRO 8 2HB PRO 8 -7.958 -4.915 -5.868
28 2HB PRO 8 1HB PRO 8 -6.324 -5.543 -5.636
29 1HG PRO 8 2HG PRO 8 -8.799 -6.976 -6.428
30 2HG PRO 8 1HG PRO 8 -7.114 -7.321 -6.844
31 1HD PRO 8 2HD PRO 8 -8.672 -8.577 -4.832
32 2HD PRO 8 1HD PRO 8 -6.932 -8.782 -5.127
33 H GLY 9 H GLY 9 -8.796 -5.515 -1.661
34 1HA GLY 9 2HA GLY 9 -10.436 -3.346 -2.735
35 2HA GLY 9 1HA GLY 9 -10.168 -3.716 -1.019
36 H TRP 10 H TRP 10 -7.403 -4.275 -1.782
37 HA TRP 10 HA TRP 10 -6.170 -1.716 -1.242
38 1HB TRP 10 2HB TRP 10 -4.970 -4.483 -1.571
39 2HB TRP 10 1HB TRP 10 -4.173 -3.080 -0.874
40 HD1 TRP 10 HD1 TRP 10 -7.112 -5.489 -0.073
41 HE1 TRP 10 HE1 TRP 10 -7.264 -5.711 2.484
42 HE3 TRP 10 HE3 TRP 10 -3.516 -2.119 1.234
43 HZ2 TRP 10 HZ2 TRP 10 -6.005 -4.619 4.757
44 HZ3 TRP 10 HZ3 TRP 10 -3.038 -1.768 3.612
45 HH2 TRP 10 HH2 TRP 10 -4.250 -3.006 5.341
46 H GLU 11 H GLU 11 -4.539 -0.845 -2.596
47 HA GLU 11 HA GLU 11 -4.224 -2.134 -5.215
48 1HB GLU 11 2HB GLU 11 -3.955 0.055 -6.230
49 2HB GLU 11 1HB GLU 11 -5.500 -0.001 -5.387
50 1HG GLU 11 2HG GLU 11 -4.257 0.999 -3.426
51 2HG GLU 11 1HG GLU 11 -2.978 1.368 -4.573
52 H LYS 12 H LYS 12 -2.072 -2.057 -6.031
53 HA LYS 12 HA LYS 12 -0.111 -1.820 -3.920
54 1HB LYS 12 2HB LYS 12 -0.220 -3.816 -5.394
55 2HB LYS 12 1HB LYS 12 0.128 -2.798 -6.783
56 1HG LYS 12 2HG LYS 12 1.945 -2.830 -4.460
57 2HG LYS 12 1HG LYS 12 2.026 -4.138 -5.644
58 1HD LYS 12 2HD LYS 12 2.303 -1.187 -6.234
59 2HD LYS 12 1HD LYS 12 3.644 -2.337 -6.125
60 1HE LYS 12 2HE LYS 12 2.672 -3.618 -7.995
61 2HE LYS 12 1HE LYS 12 1.375 -2.433 -8.114
62 1HZ LYS 12 1HZ LYS 12 3.065 -1.997 -9.749
63 2HZ LYS 12 2HZ LYS 12 4.266 -1.912 -8.556
64 3HZ LYS 12 3HZ LYS 12 3.041 -0.734 -8.617
65 H ARG 13 H ARG 13 0.663 0.236 -3.638
66 HA ARG 13 HA ARG 13 1.436 1.718 -6.066
67 1HB ARG 13 2HB ARG 13 0.384 2.878 -3.482
68 2HB ARG 13 1HB ARG 13 1.093 3.829 -4.774
69 1HG ARG 13 2HG ARG 13 -0.696 2.935 -6.290
70 2HG ARG 13 1HG ARG 13 -1.455 2.241 -4.857
71 1HD ARG 13 2HD ARG 13 -1.678 4.446 -3.870
72 2HD ARG 13 1HD ARG 13 -0.836 5.167 -5.237
73 HE ARG 13 HE ARG 13 -3.232 3.662 -5.884
74 1HH1 ARG 13 1HH1 ARG 13 -1.955 6.845 -5.116
75 2HH1 ARG 13 2HH1 ARG 13 -3.259 7.676 -5.899
76 1HH2 ARG 13 1HH2 ARG 13 -4.921 4.731 -6.860
77 2HH2 ARG 13 2HH2 ARG 13 -4.967 6.472 -6.897
78 H THR 14 H THR 14 3.422 2.514 -6.180
79 HA THR 14 HA THR 14 5.315 1.991 -4.044
80 HB THR 14 HB THR 14 6.670 3.390 -6.023
81 HG1 THR 14 HG1 THR 14 5.350 3.312 -7.701
82 1HG2 THR 14 1HG2 THR 14 7.420 1.327 -4.907
83 2HG2 THR 14 2HG2 THR 14 7.628 1.256 -6.656
84 3HG2 THR 14 3HG2 THR 14 6.287 0.398 -5.891
85 H ASP 15 H ASP 15 6.460 3.618 -2.944
86 HA ASP 15 HA ASP 15 5.520 6.353 -3.358
87 1HB ASP 15 2HB ASP 15 6.896 7.027 -1.476
88 2HB ASP 15 1HB ASP 15 5.916 5.651 -0.996
89 H SER 16 H SER 16 7.450 8.002 -3.763
90 HA SER 16 HA SER 16 7.213 7.792 -6.367
91 1HB SER 16 2HB SER 16 8.128 9.757 -5.199
92 2HB SER 16 1HB SER 16 9.697 8.957 -5.102
93 HG SER 16 HG SER 16 8.599 10.334 -7.147
94 H ASN 17 H ASN 17 10.327 6.593 -4.901
95 HA ASN 17 HA ASN 17 10.938 5.585 -7.575
96 1HB ASN 17 2HB ASN 17 12.660 5.606 -5.095
97 2HB ASN 17 1HB ASN 17 13.179 5.092 -6.695
98 1HD2 ASN 17 1HD2 ASN 17 12.435 7.767 -4.648
99 2HD2 ASN 17 2HD2 ASN 17 13.010 9.005 -5.712
100 H GLY 18 H GLY 18 11.530 4.136 -4.388
101 1HA GLY 18 2HA GLY 18 11.630 1.588 -5.783
102 2HA GLY 18 1HA GLY 18 12.341 1.939 -4.229
103 H ARG 19 H ARG 19 9.792 2.938 -3.072
104 HA ARG 19 HA ARG 19 9.566 0.212 -2.052
105 1HB ARG 19 2HB ARG 19 10.313 1.979 -0.552
106 2HB ARG 19 1HB ARG 19 8.803 2.840 -0.814
107 1HG ARG 19 2HG ARG 19 7.615 0.852 0.150
108 2HG ARG 19 1HG ARG 19 9.204 0.233 0.615
109 1HD ARG 19 2HD ARG 19 8.126 2.934 1.404
110 2HD ARG 19 1HD ARG 19 8.042 1.496 2.422
111 HE ARG 19 HE ARG 19 10.437 1.529 2.575
112 1HH1 ARG 19 1HH1 ARG 19 9.050 4.330 0.987
113 2HH1 ARG 19 2HH1 ARG 19 10.384 5.375 1.394
114 1HH2 ARG 19 1HH2 ARG 19 12.183 2.911 3.116
115 2HH2 ARG 19 2HH2 ARG 19 12.155 4.575 2.616
116 H VAL 20 H VAL 20 7.814 -0.957 -1.958
117 HA VAL 20 HA VAL 20 5.295 0.160 -2.957
118 HB VAL 20 HB VAL 20 6.148 -2.724 -2.599
119 1HG1 VAL 20 1HG1 VAL 20 3.589 -1.595 -3.736
120 2HG1 VAL 20 2HG1 VAL 20 3.758 -2.483 -2.221
121 3HG1 VAL 20 3HG1 VAL 20 4.060 -3.294 -3.757
122 1HG2 VAL 20 1HG2 VAL 20 6.098 -2.813 -5.047
123 2HG2 VAL 20 2HG2 VAL 20 7.273 -1.635 -4.462
124 3HG2 VAL 20 3HG2 VAL 20 5.721 -1.091 -5.101
125 H TYR 21 H TYR 21 3.594 0.386 -1.674
126 HA TYR 21 HA TYR 21 3.482 -1.134 0.806
127 1HB TYR 21 2HB TYR 21 2.457 0.843 1.939
128 2HB TYR 21 1HB TYR 21 4.146 1.069 1.512
129 HD1 TYR 21 HD2 TYR 21 0.679 2.007 0.639
130 HD2 TYR 21 HD1 TYR 21 4.820 2.779 -0.009
131 HE1 TYR 21 HE2 TYR 21 0.106 4.101 -0.513
132 HE2 TYR 21 HE1 TYR 21 4.250 4.876 -1.156
133 HH TYR 21 HH TYR 21 1.159 6.265 -1.030
134 H PHE 22 H PHE 22 1.342 -1.625 1.520
135 HA PHE 22 HA PHE 22 -0.479 -1.839 -0.748
136 1HB PHE 22 2HB PHE 22 -0.661 -3.037 2.035
137 2HB PHE 22 1HB PHE 22 -1.737 -3.401 0.689
138 HD1 PHE 22 HD1 PHE 22 -0.877 -4.646 -1.280
139 HD2 PHE 22 HD2 PHE 22 1.459 -4.062 2.235
140 HE1 PHE 22 HE1 PHE 22 0.641 -6.451 -1.988
141 HE2 PHE 22 HE2 PHE 22 2.980 -5.865 1.532
142 HZ PHE 22 HZ PHE 22 2.572 -7.062 -0.581
143 H VAL 23 H VAL 23 -1.980 -0.388 -1.037
144 HA VAL 23 HA VAL 23 -2.806 1.248 1.259
145 HB VAL 23 HB VAL 23 -1.465 2.669 -0.031
146 1HG1 VAL 23 1HG1 VAL 23 -1.632 2.910 -2.482
147 2HG1 VAL 23 2HG1 VAL 23 -2.819 1.605 -2.507
148 3HG1 VAL 23 3HG1 VAL 23 -1.165 1.278 -1.991
149 1HG2 VAL 23 1HG2 VAL 23 -3.579 3.689 0.530
150 2HG2 VAL 23 2HG2 VAL 23 -4.283 3.124 -0.984
151 3HG2 VAL 23 3HG2 VAL 23 -2.981 4.314 -1.005
152 H ASN 24 H ASN 24 -4.930 1.499 1.624
153 HA ASN 24 HA ASN 24 -6.802 0.257 -0.297
154 1HB ASN 24 2HB ASN 24 -6.500 -1.187 1.627
155 2HB ASN 24 1HB ASN 24 -6.789 0.152 2.728
156 1HD2 ASN 24 1HD2 ASN 24 -8.435 -0.989 3.736
157 2HD2 ASN 24 2HD2 ASN 24 -9.986 -1.229 3.004
158 H HIS 25 H HIS 25 -8.726 1.290 -0.699
159 HA HIS 25 HA HIS 25 -8.869 4.076 0.126
160 1HB HIS 25 2HB HIS 25 -10.432 2.458 -1.884
161 2HB HIS 25 1HB HIS 25 -10.882 4.103 -1.451
162 HD1 HIS 25 HD1 HIS 25 -9.553 6.003 -2.504
163 HD2 HIS 25 HD2 HIS 25 -7.949 2.240 -3.264
164 HE1 HIS 25 HE1 HIS 25 -7.777 6.357 -4.246
165 HE2 HIS 25 HE2 HIS 25 -6.626 4.115 -4.431
166 H ASN 26 H ASN 26 -10.462 1.071 0.857
167 HA ASN 26 HA ASN 26 -12.907 2.182 1.777
168 1HB ASN 26 2HB ASN 26 -11.570 -0.462 2.340
169 2HB ASN 26 1HB ASN 26 -13.135 -0.027 3.013
170 1HD2 ASN 26 1HD2 ASN 26 -14.902 0.250 1.622
171 2HD2 ASN 26 2HD2 ASN 26 -14.915 -0.457 0.038
172 H THR 27 H THR 27 -10.043 1.047 3.567
173 HA THR 27 HA THR 27 -11.046 2.245 6.009
174 HB THR 27 HB THR 27 -8.976 1.415 7.018
175 HG1 THR 27 HG1 THR 27 -7.436 0.486 5.822
176 1HG2 THR 27 1HG2 THR 27 -9.522 -0.970 6.855
177 2HG2 THR 27 2HG2 THR 27 -10.510 -0.637 5.433
178 3HG2 THR 27 3HG2 THR 27 -10.976 0.021 7.001
179 H ARG 28 H ARG 28 -9.060 3.084 3.382
180 HA ARG 28 HA ARG 28 -7.658 4.770 2.878
181 1HB ARG 28 2HB ARG 28 -9.258 6.161 5.034
182 2HB ARG 28 1HB ARG 28 -8.053 6.975 4.040
183 1HG ARG 28 2HG ARG 28 -9.375 6.107 2.036
184 2HG ARG 28 1HG ARG 28 -10.661 5.765 3.192
185 1HD ARG 28 2HD ARG 28 -9.370 8.463 2.869
186 2HD ARG 28 1HD ARG 28 -10.827 7.969 2.013
187 HE ARG 28 HE ARG 28 -11.274 7.554 4.727
188 1HH1 ARG 28 1HH1 ARG 28 -10.589 10.228 2.570
189 2HH1 ARG 28 2HH1 ARG 28 -11.579 11.361 3.450
190 1HH2 ARG 28 1HH2 ARG 28 -12.561 9.052 5.917
191 2HH2 ARG 28 2HH2 ARG 28 -12.662 10.704 5.377
192 H ILE 29 H ILE 29 -6.031 3.269 3.732
193 HA ILE 29 HA ILE 29 -4.380 4.644 5.683
194 HB ILE 29 HB ILE 29 -5.840 2.981 6.961
195 1HG1 ILE 29 2HG1 ILE 29 -2.845 2.536 7.067
196 2HG1 ILE 29 1HG1 ILE 29 -3.690 3.880 7.827
197 1HG2 ILE 29 1HG2 ILE 29 -5.342 0.646 6.822
198 2HG2 ILE 29 2HG2 ILE 29 -4.022 0.934 5.690
199 3HG2 ILE 29 3HG2 ILE 29 -5.696 1.214 5.189
200 1HD1 ILE 29 1HD1 ILE 29 -4.008 0.961 8.500
201 2HD1 ILE 29 2HD1 ILE 29 -4.904 2.285 9.246
202 3HD1 ILE 29 3HD1 ILE 29 -3.156 2.176 9.454
203 H THR 30 H THR 30 -2.206 4.133 5.534
204 HA THR 30 HA THR 30 -1.413 2.458 3.249
205 HB THR 30 HB THR 30 0.792 3.795 3.579
206 HG1 THR 30 HG1 THR 30 0.484 5.807 4.622
207 1HG2 THR 30 1HG2 THR 30 -1.704 5.196 2.607
208 2HG2 THR 30 2HG2 THR 30 -0.705 4.094 1.661
209 3HG2 THR 30 3HG2 THR 30 -0.048 5.641 2.195
210 H GLN 31 H GLN 31 -0.839 0.451 3.968
211 HA GLN 31 HA GLN 31 0.443 0.294 6.621
212 1HB GLN 31 2HB GLN 31 -1.218 -1.827 5.246
213 2HB GLN 31 1HB GLN 31 -0.529 -1.922 6.854
214 1HG GLN 31 2HG GLN 31 -1.922 0.056 7.478
215 2HG GLN 31 1HG GLN 31 -2.724 -0.113 5.919
216 1HE2 GLN 31 1HE2 GLN 31 -1.632 -2.720 8.053
217 2HE2 GLN 31 2HE2 GLN 31 -3.214 -3.348 8.358
218 H TRP 32 H TRP 32 2.137 -1.152 6.947
219 HA TRP 32 HA TRP 32 3.681 -1.822 4.557
220 1HB TRP 32 2HB TRP 32 4.435 -2.091 7.481
221 2HB TRP 32 1HB TRP 32 5.522 -2.245 6.110
222 HD1 TRP 32 HD1 TRP 32 4.783 0.092 8.711
223 HE1 TRP 32 HE1 TRP 32 5.441 2.494 8.083
224 HE3 TRP 32 HE3 TRP 32 5.282 -0.496 3.649
225 HZ2 TRP 32 HZ2 TRP 32 6.082 3.949 5.764
226 HZ3 TRP 32 HZ3 TRP 32 5.919 1.463 2.305
227 HH2 TRP 32 HH2 TRP 32 6.310 3.638 3.343
228 H GLU 33 H GLU 33 1.234 -3.323 5.538
229 HA GLU 33 HA GLU 33 2.485 -5.867 6.321
230 1HB GLU 33 2HB GLU 33 -0.220 -4.822 7.162
231 2HB GLU 33 1HB GLU 33 0.560 -6.294 7.727
232 1HG GLU 33 2HG GLU 33 2.030 -5.163 9.072
233 2HG GLU 33 1HG GLU 33 1.945 -3.687 8.111
234 H ASP 34 H ASP 34 1.688 -7.740 5.482
235 HA ASP 34 HA ASP 34 -0.310 -7.545 3.338
236 1HB ASP 34 2HB ASP 34 1.856 -8.577 2.731
237 2HB ASP 34 1HB ASP 34 1.649 -9.763 4.012
238 HA PRO 35 HA PRO 35 -2.994 -8.874 6.768
239 1HB PRO 35 2HB PRO 35 -5.084 -9.079 4.817
240 2HB PRO 35 1HB PRO 35 -4.889 -7.891 6.102
241 1HG PRO 35 2HG PRO 35 -4.341 -7.627 3.261
242 2HG PRO 35 1HG PRO 35 -4.448 -6.375 4.500
243 1HD PRO 35 2HD PRO 35 -2.126 -7.162 3.258
244 2HD PRO 35 1HD PRO 35 -2.206 -6.346 4.827
245 1H GLU 101 1H GLU 101 13.106 2.004 11.589
246 2H GLU 101 2H GLU 101 11.735 1.095 12.016
247 3H GLU 101 3H GLU 101 13.083 1.125 13.039
248 HA GLU 101 HA GLU 101 11.108 2.525 13.700
249 1HB GLU 101 2HB GLU 101 12.561 4.335 14.525
250 2HB GLU 101 1HB GLU 101 13.283 2.751 14.760
251 1HG GLU 101 2HG GLU 101 14.761 3.093 12.892
252 2HG GLU 101 1HG GLU 101 13.968 4.620 12.501
253 H GLU 102 H GLU 102 11.049 2.513 10.730
254 HA GLU 102 HA GLU 102 11.400 5.269 9.917
255 1HB GLU 102 2HB GLU 102 10.274 2.949 8.324
256 2HB GLU 102 1HB GLU 102 10.881 4.466 7.684
257 1HG GLU 102 2HG GLU 102 12.497 2.741 7.280
258 2HG GLU 102 1HG GLU 102 13.144 3.859 8.478
259 HA PRO 103 HA PRO 103 7.071 6.325 10.336
260 1HB PRO 103 2HB PRO 103 7.392 8.439 8.390
261 2HB PRO 103 1HB PRO 103 7.244 8.571 10.143
262 1HG PRO 103 2HG PRO 103 9.529 9.159 8.763
263 2HG PRO 103 1HG PRO 103 9.510 8.630 10.454
264 1HD PRO 103 2HD PRO 103 10.079 7.047 7.974
265 2HD PRO 103 1HD PRO 103 10.887 6.992 9.556
266 HA PRO 104 HA PRO 104 5.043 4.942 6.525
267 1HB PRO 104 2HB PRO 104 2.520 5.736 7.650
268 2HB PRO 104 1HB PRO 104 3.145 4.103 7.422
269 1HG PRO 104 2HG PRO 104 2.745 5.331 9.870
270 2HG PRO 104 1HG PRO 104 3.804 3.943 9.585
271 1HD PRO 104 2HD PRO 104 4.496 6.818 9.936
272 2HD PRO 104 1HD PRO 104 5.405 5.362 10.399
273 HA PRO 105 HA PRO 105 4.128 8.966 4.689
274 1HB PRO 105 2HB PRO 105 3.156 8.126 2.328
275 2HB PRO 105 1HB PRO 105 4.881 8.045 2.706
276 1HG PRO 105 2HG PRO 105 2.826 5.873 2.753
277 2HG PRO 105 1HG PRO 105 4.506 5.812 2.196
278 1HD PRO 105 2HD PRO 105 3.648 4.909 4.654
279 2HD PRO 105 1HD PRO 105 5.311 5.420 4.303
280 HA PRO 106 HA PRO 106 -0.157 9.298 5.710
281 1HB PRO 106 2HB PRO 106 -0.705 11.751 4.757
282 2HB PRO 106 1HB PRO 106 0.350 11.502 6.153
283 1HG PRO 106 2HG PRO 106 1.074 12.066 3.306
284 2HG PRO 106 1HG PRO 106 1.793 12.708 4.795
285 1HD PRO 106 2HD PRO 106 2.874 10.656 3.322
286 2HD PRO 106 1HD PRO 106 3.155 10.889 5.058
287 H TYR 107 H TYR 107 -2.225 9.141 4.856
288 HA TYR 107 HA TYR 107 -2.302 8.110 2.170
289 1HB TYR 107 2HB TYR 107 -3.543 7.001 3.966
290 2HB TYR 107 1HB TYR 107 -4.507 8.445 4.220
291 HD1 TYR 107 HD2 TYR 107 -3.837 5.647 1.947
292 HD2 TYR 107 HD1 TYR 107 -6.350 8.969 2.770
293 HE1 TYR 107 HE2 TYR 107 -5.473 4.815 0.297
294 HE2 TYR 107 HE1 TYR 107 -7.981 8.149 1.129
295 HH TYR 107 HH TYR 107 -7.797 5.011 -0.223
296 H GLU 108 H GLU 108 -3.554 8.880 0.465
297 HA GLU 108 HA GLU 108 -3.277 11.682 0.160
298 1HB GLU 108 2HB GLU 108 -4.464 9.590 -1.656
299 2HB GLU 108 1HB GLU 108 -4.170 11.261 -2.125
300 1HG GLU 108 2HG GLU 108 -1.787 10.968 -1.760
301 2HG GLU 108 1HG GLU 108 -2.058 9.315 -1.212
302 H ASP 109 H ASP 109 -6.239 9.882 -0.718
303 HA ASP 109 HA ASP 109 -7.764 12.189 0.298
304 1HB ASP 109 2HB ASP 109 -7.532 12.348 -2.148
305 2HB ASP 109 1HB ASP 109 -8.223 10.737 -2.318
Start of MODEL 4
1 HA PRO 5 HA PRO 5 -0.139 -10.670 -3.637
2 1HB PRO 5 2HB PRO 5 -1.856 -12.919 -3.036
3 2HB PRO 5 1HB PRO 5 -1.011 -12.557 -4.542
4 1HG PRO 5 2HG PRO 5 -0.388 -14.671 -2.921
5 2HG PRO 5 1HG PRO 5 0.772 -13.881 -4.004
6 1HD PRO 5 2HD PRO 5 0.403 -13.553 -1.053
7 2HD PRO 5 1HD PRO 5 1.904 -13.614 -2.003
8 H LEU 6 H LEU 6 -1.620 -9.171 -3.031
9 HA LEU 6 HA LEU 6 -2.642 -9.335 -0.325
10 1HB LEU 6 2HB LEU 6 -3.546 -7.003 -0.796
11 2HB LEU 6 1HB LEU 6 -1.818 -7.186 -0.674
12 HG LEU 6 HG LEU 6 -2.553 -5.557 -2.401
13 1HD1 LEU 6 1HD1 LEU 6 -0.372 -6.608 -2.572
14 2HD1 LEU 6 2HD1 LEU 6 -1.063 -6.322 -4.169
15 3HD1 LEU 6 3HD1 LEU 6 -1.066 -7.950 -3.489
16 1HD2 LEU 6 1HD2 LEU 6 -4.583 -6.653 -3.165
17 2HD2 LEU 6 2HD2 LEU 6 -3.638 -7.978 -3.850
18 3HD2 LEU 6 3HD2 LEU 6 -3.487 -6.348 -4.511
19 HA PRO 7 HA PRO 7 -6.785 -10.220 -1.760
20 1HB PRO 7 2HB PRO 7 -8.028 -9.833 0.657
21 2HB PRO 7 1HB PRO 7 -7.130 -11.300 0.257
22 1HG PRO 7 2HG PRO 7 -6.461 -9.206 2.160
23 2HG PRO 7 1HG PRO 7 -5.694 -10.785 1.926
24 1HD PRO 7 2HD PRO 7 -4.838 -8.159 0.995
25 2HD PRO 7 1HD PRO 7 -3.935 -9.686 1.001
26 HA PRO 8 HA PRO 8 -6.806 -5.956 -2.273
27 1HB PRO 8 2HB PRO 8 -8.010 -5.877 -4.749
28 2HB PRO 8 1HB PRO 8 -6.329 -6.304 -4.442
29 1HG PRO 8 2HG PRO 8 -8.466 -7.997 -5.361
30 2HG PRO 8 1HG PRO 8 -6.761 -8.410 -5.129
31 1HD PRO 8 2HD PRO 8 -9.064 -8.964 -3.397
32 2HD PRO 8 1HD PRO 8 -7.450 -9.703 -3.386
33 H GLY 9 H GLY 9 -8.613 -5.727 -0.503
34 1HA GLY 9 2HA GLY 9 -10.213 -3.645 -1.783
35 2HA GLY 9 1HA GLY 9 -9.878 -3.804 -0.046
36 H TRP 10 H TRP 10 -7.163 -4.574 -0.912
37 HA TRP 10 HA TRP 10 -5.858 -2.025 -0.561
38 1HB TRP 10 2HB TRP 10 -4.744 -4.845 -0.715
39 2HB TRP 10 1HB TRP 10 -3.907 -3.424 -0.100
40 HD1 TRP 10 HD1 TRP 10 -6.522 -6.012 0.870
41 HE1 TRP 10 HE1 TRP 10 -6.967 -5.852 3.393
42 HE3 TRP 10 HE3 TRP 10 -3.886 -1.769 1.889
43 HZ2 TRP 10 HZ2 TRP 10 -6.290 -4.184 5.523
44 HZ3 TRP 10 HZ3 TRP 10 -3.843 -0.964 4.203
45 HH2 TRP 10 HH2 TRP 10 -5.018 -2.156 5.986
46 H GLU 11 H GLU 11 -4.154 -1.324 -1.939
47 HA GLU 11 HA GLU 11 -4.024 -2.629 -4.559
48 1HB GLU 11 2HB GLU 11 -3.953 -0.416 -5.627
49 2HB GLU 11 1HB GLU 11 -5.470 -0.641 -4.756
50 1HG GLU 11 2HG GLU 11 -4.015 0.444 -2.818
51 2HG GLU 11 1HG GLU 11 -3.218 1.177 -4.211
52 H LYS 12 H LYS 12 -1.987 -2.391 -5.574
53 HA LYS 12 HA LYS 12 0.149 -1.961 -3.681
54 1HB LYS 12 2HB LYS 12 0.026 -4.024 -5.053
55 2HB LYS 12 1HB LYS 12 0.159 -3.051 -6.511
56 1HG LYS 12 2HG LYS 12 2.216 -2.819 -4.412
57 2HG LYS 12 1HG LYS 12 2.258 -4.217 -5.486
58 1HD LYS 12 2HD LYS 12 2.264 -1.314 -6.347
59 2HD LYS 12 1HD LYS 12 3.692 -2.362 -6.288
60 1HE LYS 12 2HE LYS 12 2.667 -3.860 -7.935
61 2HE LYS 12 1HE LYS 12 1.235 -2.835 -7.983
62 1HZ LYS 12 1HZ LYS 12 2.593 -1.034 -8.840
63 2HZ LYS 12 2HZ LYS 12 2.684 -2.393 -9.853
64 3HZ LYS 12 3HZ LYS 12 3.964 -2.024 -8.811
65 H ARG 13 H ARG 13 0.848 0.096 -3.531
66 HA ARG 13 HA ARG 13 1.422 1.514 -6.037
67 1HB ARG 13 2HB ARG 13 0.250 2.747 -3.550
68 2HB ARG 13 1HB ARG 13 0.906 3.669 -4.891
69 1HG ARG 13 2HG ARG 13 -0.779 2.723 -6.376
70 2HG ARG 13 1HG ARG 13 -1.438 1.786 -5.035
71 1HD ARG 13 2HD ARG 13 -2.679 3.896 -5.551
72 2HD ARG 13 1HD ARG 13 -2.115 3.757 -3.887
73 HE ARG 13 HE ARG 13 -0.116 5.129 -5.092
74 1HH1 ARG 13 1HH1 ARG 13 -3.586 5.605 -4.954
75 2HH1 ARG 13 2HH1 ARG 13 -3.488 7.344 -5.074
76 1HH2 ARG 13 1HH2 ARG 13 0.037 7.384 -5.221
77 2HH2 ARG 13 2HH2 ARG 13 -1.405 8.356 -5.222
78 H THR 14 H THR 14 3.312 2.485 -6.169
79 HA THR 14 HA THR 14 5.218 2.201 -3.992
80 HB THR 14 HB THR 14 6.516 3.474 -6.111
81 HG1 THR 14 HG1 THR 14 5.831 2.426 -7.965
82 1HG2 THR 14 1HG2 THR 14 6.342 0.506 -5.555
83 2HG2 THR 14 2HG2 THR 14 7.430 1.648 -4.759
84 3HG2 THR 14 3HG2 THR 14 7.610 1.323 -6.479
85 H ASP 15 H ASP 15 6.307 3.952 -3.063
86 HA ASP 15 HA ASP 15 5.211 6.599 -3.605
87 1HB ASP 15 2HB ASP 15 6.641 7.428 -1.790
88 2HB ASP 15 1HB ASP 15 5.639 6.101 -1.231
89 H SER 16 H SER 16 6.938 8.336 -4.094
90 HA SER 16 HA SER 16 6.849 8.037 -6.690
91 1HB SER 16 2HB SER 16 9.196 9.441 -5.416
92 2HB SER 16 1HB SER 16 8.457 9.802 -6.975
93 HG SER 16 HG SER 16 6.456 10.141 -5.637
94 H ASN 17 H ASN 17 9.963 7.165 -5.039
95 HA ASN 17 HA ASN 17 10.797 6.092 -7.626
96 1HB ASN 17 2HB ASN 17 12.393 7.496 -6.371
97 2HB ASN 17 1HB ASN 17 12.395 6.305 -5.076
98 1HD2 ASN 17 1HD2 ASN 17 12.291 5.520 -8.501
99 2HD2 ASN 17 2HD2 ASN 17 13.854 4.785 -8.566
100 H GLY 18 H GLY 18 11.338 4.847 -4.343
101 1HA GLY 18 2HA GLY 18 11.620 2.226 -5.563
102 2HA GLY 18 1HA GLY 18 12.232 2.708 -4.001
103 H ARG 19 H ARG 19 9.664 3.575 -2.882
104 HA ARG 19 HA ARG 19 9.508 0.817 -1.932
105 1HB ARG 19 2HB ARG 19 10.148 2.463 -0.315
106 2HB ARG 19 1HB ARG 19 8.695 3.404 -0.627
107 1HG ARG 19 2HG ARG 19 7.499 1.158 0.059
108 2HG ARG 19 1HG ARG 19 9.028 0.864 0.889
109 1HD ARG 19 2HD ARG 19 7.499 3.424 1.222
110 2HD ARG 19 1HD ARG 19 7.164 2.000 2.205
111 HE ARG 19 HE ARG 19 9.384 2.172 3.112
112 1HH1 ARG 19 1HH1 ARG 19 8.372 4.921 1.166
113 2HH1 ARG 19 2HH1 ARG 19 9.418 6.030 2.010
114 1HH2 ARG 19 1HH2 ARG 19 10.734 3.630 4.192
115 2HH2 ARG 19 2HH2 ARG 19 10.772 5.302 3.705
116 H VAL 20 H VAL 20 7.854 -0.448 -2.081
117 HA VAL 20 HA VAL 20 5.275 0.636 -2.912
118 HB VAL 20 HB VAL 20 6.010 -1.295 -4.178
119 1HG1 VAL 20 1HG1 VAL 20 6.290 -3.504 -3.140
120 2HG1 VAL 20 2HG1 VAL 20 6.102 -2.768 -1.548
121 3HG1 VAL 20 3HG1 VAL 20 7.478 -2.335 -2.559
122 1HG2 VAL 20 1HG2 VAL 20 3.614 -1.058 -3.814
123 2HG2 VAL 20 2HG2 VAL 20 3.725 -1.985 -2.320
124 3HG2 VAL 20 3HG2 VAL 20 4.058 -2.765 -3.868
125 H TYR 21 H TYR 21 3.528 0.654 -1.675
126 HA TYR 21 HA TYR 21 3.578 -0.711 0.889
127 1HB TYR 21 2HB TYR 21 2.486 1.282 1.935
128 2HB TYR 21 1HB TYR 21 4.154 1.557 1.447
129 HD1 TYR 21 HD1 TYR 21 0.640 2.367 0.717
130 HD2 TYR 21 HD2 TYR 21 4.702 3.078 -0.321
131 HE1 TYR 21 HE1 TYR 21 -0.043 4.341 -0.589
132 HE2 TYR 21 HE2 TYR 21 4.040 5.048 -1.626
133 HH TYR 21 HH TYR 21 1.023 6.497 -1.385
134 H PHE 22 H PHE 22 1.491 -1.268 1.703
135 HA PHE 22 HA PHE 22 -0.353 -1.725 -0.507
136 1HB PHE 22 2HB PHE 22 -0.196 -2.854 2.299
137 2HB PHE 22 1HB PHE 22 -1.554 -3.171 1.227
138 HD1 PHE 22 HD1 PHE 22 1.712 -2.880 -0.305
139 HD2 PHE 22 HD2 PHE 22 -1.045 -5.570 1.507
140 HE1 PHE 22 HE1 PHE 22 2.938 -4.782 -1.272
141 HE2 PHE 22 HE2 PHE 22 0.174 -7.475 0.545
142 HZ PHE 22 HZ PHE 22 2.172 -7.085 -0.846
143 H VAL 23 H VAL 23 -1.559 -0.066 -0.875
144 HA VAL 23 HA VAL 23 -2.600 1.554 1.327
145 HB VAL 23 HB VAL 23 -1.540 3.051 -0.060
146 1HG1 VAL 23 1HG1 VAL 23 -1.385 2.865 -2.494
147 2HG1 VAL 23 2HG1 VAL 23 -2.403 1.427 -2.456
148 3HG1 VAL 23 3HG1 VAL 23 -0.807 1.400 -1.704
149 1HG2 VAL 23 1HG2 VAL 23 -3.130 4.286 -1.374
150 2HG2 VAL 23 2HG2 VAL 23 -3.941 3.669 0.067
151 3HG2 VAL 23 3HG2 VAL 23 -4.193 2.881 -1.488
152 H ASN 24 H ASN 24 -4.812 2.081 1.423
153 HA ASN 24 HA ASN 24 -6.587 0.513 -0.315
154 1HB ASN 24 2HB ASN 24 -6.122 -0.736 1.815
155 2HB ASN 24 1HB ASN 24 -6.818 0.608 2.705
156 1HD2 ASN 24 1HD2 ASN 24 -7.554 -2.234 2.476
157 2HD2 ASN 24 2HD2 ASN 24 -9.222 -2.244 2.025
158 H HIS 25 H HIS 25 -7.738 2.063 -1.307
159 HA HIS 25 HA HIS 25 -8.235 4.659 -0.473
160 1HB HIS 25 2HB HIS 25 -9.760 2.825 -2.308
161 2HB HIS 25 1HB HIS 25 -10.356 4.443 -1.962
162 HD1 HIS 25 HD1 HIS 25 -8.857 6.444 -2.831
163 HD2 HIS 25 HD2 HIS 25 -7.739 2.673 -4.135
164 HE1 HIS 25 HE1 HIS 25 -7.267 6.836 -4.741
165 HE2 HIS 25 HE2 HIS 25 -6.437 4.529 -5.340
166 H ASN 26 H ASN 26 -10.131 1.752 0.170
167 HA ASN 26 HA ASN 26 -12.487 3.001 1.045
168 1HB ASN 26 2HB ASN 26 -11.400 0.293 1.859
169 2HB ASN 26 1HB ASN 26 -13.071 0.822 2.015
170 1HD2 ASN 26 1HD2 ASN 26 -10.603 -0.316 -0.102
171 2HD2 ASN 26 2HD2 ASN 26 -11.612 -0.566 -1.488
172 H THR 27 H THR 27 -9.625 1.928 2.814
173 HA THR 27 HA THR 27 -10.732 2.841 5.343
174 HB THR 27 HB THR 27 -8.702 1.979 6.346
175 HG1 THR 27 HG1 THR 27 -7.900 1.872 3.685
176 1HG2 THR 27 1HG2 THR 27 -9.999 0.070 4.402
177 2HG2 THR 27 2HG2 THR 27 -10.566 0.453 6.028
178 3HG2 THR 27 3HG2 THR 27 -9.040 -0.403 5.805
179 H ARG 28 H ARG 28 -8.803 4.061 2.822
180 HA ARG 28 HA ARG 28 -7.418 5.833 2.537
181 1HB ARG 28 2HB ARG 28 -8.863 6.838 4.997
182 2HB ARG 28 1HB ARG 28 -7.732 7.806 4.061
183 1HG ARG 28 2HG ARG 28 -9.213 7.399 2.066
184 2HG ARG 28 1HG ARG 28 -10.388 6.718 3.193
185 1HD ARG 28 2HD ARG 28 -10.880 9.061 2.738
186 2HD ARG 28 1HD ARG 28 -10.435 8.824 4.426
187 HE ARG 28 HE ARG 28 -8.102 9.554 3.523
188 1HH1 ARG 28 1HH1 ARG 28 -11.212 10.869 2.590
189 2HH1 ARG 28 2HH1 ARG 28 -10.567 12.425 2.152
190 1HH2 ARG 28 1HH2 ARG 28 -7.250 11.594 2.985
191 2HH2 ARG 28 2HH2 ARG 28 -8.314 12.840 2.389
192 H ILE 29 H ILE 29 -6.453 3.579 3.932
193 HA ILE 29 HA ILE 29 -4.444 4.818 5.702
194 HB ILE 29 HB ILE 29 -5.797 2.131 6.018
195 1HG1 ILE 29 2HG1 ILE 29 -5.638 4.525 7.863
196 2HG1 ILE 29 1HG1 ILE 29 -7.032 4.080 6.882
197 1HG2 ILE 29 1HG2 ILE 29 -3.446 1.801 6.490
198 2HG2 ILE 29 2HG2 ILE 29 -4.358 1.795 7.998
199 3HG2 ILE 29 3HG2 ILE 29 -3.433 3.225 7.542
200 1HD1 ILE 29 1HD1 ILE 29 -7.207 1.972 8.132
201 2HD1 ILE 29 2HD1 ILE 29 -7.373 3.394 9.161
202 3HD1 ILE 29 3HD1 ILE 29 -5.862 2.484 9.151
203 H THR 30 H THR 30 -2.353 4.135 5.501
204 HA THR 30 HA THR 30 -1.729 2.348 3.248
205 HB THR 30 HB THR 30 0.565 3.471 3.430
206 HG1 THR 30 HG1 THR 30 0.387 5.620 4.438
207 1HG2 THR 30 1HG2 THR 30 -0.156 5.453 2.167
208 2HG2 THR 30 2HG2 THR 30 -1.819 5.184 2.696
209 3HG2 THR 30 3HG2 THR 30 -1.027 4.010 1.647
210 H GLN 31 H GLN 31 -1.128 0.358 3.874
211 HA GLN 31 HA GLN 31 0.107 0.070 6.534
212 1HB GLN 31 2HB GLN 31 -1.769 -1.813 5.104
213 2HB GLN 31 1HB GLN 31 -0.967 -2.155 6.627
214 1HG GLN 31 2HG GLN 31 -2.771 0.204 6.271
215 2HG GLN 31 1HG GLN 31 -3.371 -1.384 6.742
216 1HE2 GLN 31 1HE2 GLN 31 -4.092 -0.669 8.721
217 2HE2 GLN 31 2HE2 GLN 31 -3.016 -0.253 10.016
218 H TRP 32 H TRP 32 1.761 -1.468 6.784
219 HA TRP 32 HA TRP 32 3.238 -2.159 4.401
220 1HB TRP 32 2HB TRP 32 3.697 -2.949 7.286
221 2HB TRP 32 1HB TRP 32 4.788 -3.320 5.965
222 HD1 TRP 32 HD1 TRP 32 5.192 -1.432 8.712
223 HE1 TRP 32 HE1 TRP 32 6.328 0.854 8.359
224 HE3 TRP 32 HE3 TRP 32 4.407 -0.913 3.687
225 HZ2 TRP 32 HZ2 TRP 32 6.820 2.629 6.231
226 HZ3 TRP 32 HZ3 TRP 32 5.244 1.112 2.572
227 HH2 TRP 32 HH2 TRP 32 6.425 2.848 3.821
228 H GLU 33 H GLU 33 1.128 -3.750 6.690
229 HA GLU 33 HA GLU 33 2.002 -6.384 5.787
230 1HB GLU 33 2HB GLU 33 0.171 -5.742 8.093
231 2HB GLU 33 1HB GLU 33 1.068 -7.230 7.813
232 1HG GLU 33 2HG GLU 33 3.163 -6.048 8.159
233 2HG GLU 33 1HG GLU 33 2.287 -4.541 8.401
234 H ASP 34 H ASP 34 0.748 -7.786 4.742
235 HA ASP 34 HA ASP 34 -1.906 -6.962 3.900
236 1HB ASP 34 2HB ASP 34 -1.775 -9.004 2.451
237 2HB ASP 34 1HB ASP 34 -0.487 -7.843 2.155
238 HA PRO 35 HA PRO 35 -3.826 -8.977 7.431
239 1HB PRO 35 2HB PRO 35 -6.141 -8.985 5.635
240 2HB PRO 35 1HB PRO 35 -5.939 -8.211 7.204
241 1HG PRO 35 2HG PRO 35 -5.809 -6.994 4.631
242 2HG PRO 35 1HG PRO 35 -5.555 -6.245 6.206
243 1HD PRO 35 2HD PRO 35 -3.624 -6.660 4.225
244 2HD PRO 35 1HD PRO 35 -3.322 -6.198 5.908
245 1H GLU 101 1H GLU 101 10.187 -2.435 11.616
246 2H GLU 101 2H GLU 101 10.128 -1.502 10.200
247 3H GLU 101 3H GLU 101 8.889 -1.379 11.352
248 HA GLU 101 HA GLU 101 10.321 -0.418 12.937
249 1HB GLU 101 2HB GLU 101 12.426 -1.183 10.974
250 2HB GLU 101 1HB GLU 101 12.682 0.257 11.948
251 1HG GLU 101 2HG GLU 101 13.725 -1.561 13.055
252 2HG GLU 101 1HG GLU 101 12.294 -1.119 13.982
253 H GLU 102 H GLU 102 10.290 0.206 9.432
254 HA GLU 102 HA GLU 102 10.551 3.046 9.935
255 1HB GLU 102 2HB GLU 102 10.416 3.272 7.480
256 2HB GLU 102 1HB GLU 102 11.661 2.137 7.980
257 1HG GLU 102 2HG GLU 102 10.026 0.296 7.522
258 2HG GLU 102 1HG GLU 102 8.967 1.514 6.812
259 HA PRO 103 HA PRO 103 6.204 3.890 10.034
260 1HB PRO 103 2HB PRO 103 6.229 6.512 9.469
261 2HB PRO 103 1HB PRO 103 6.871 5.883 10.991
262 1HG PRO 103 2HG PRO 103 8.339 6.711 8.517
263 2HG PRO 103 1HG PRO 103 8.735 7.037 10.211
264 1HD PRO 103 2HD PRO 103 9.904 5.059 8.737
265 2HD PRO 103 1HD PRO 103 9.728 4.999 10.501
266 HA PRO 104 HA PRO 104 4.817 3.857 5.788
267 1HB PRO 104 2HB PRO 104 2.122 4.367 6.674
268 2HB PRO 104 1HB PRO 104 2.812 2.852 6.099
269 1HG PRO 104 2HG PRO 104 2.010 3.305 8.679
270 2HG PRO 104 1HG PRO 104 3.222 2.101 8.209
271 1HD PRO 104 2HD PRO 104 3.611 4.835 9.363
272 2HD PRO 104 1HD PRO 104 4.518 3.339 9.676
273 HA PRO 105 HA PRO 105 4.321 8.194 4.820
274 1HB PRO 105 2HB PRO 105 3.433 7.432 2.163
275 2HB PRO 105 1HB PRO 105 4.987 8.115 2.647
276 1HG PRO 105 2HG PRO 105 4.699 5.564 1.733
277 2HG PRO 105 1HG PRO 105 5.972 6.062 2.860
278 1HD PRO 105 2HD PRO 105 3.383 4.667 3.421
279 2HD PRO 105 1HD PRO 105 4.999 4.369 4.103
280 HA PRO 106 HA PRO 106 0.033 8.719 5.434
281 1HB PRO 106 2HB PRO 106 -0.276 11.353 4.904
282 2HB PRO 106 1HB PRO 106 0.618 10.768 6.311
283 1HG PRO 106 2HG PRO 106 1.640 11.793 3.703
284 2HG PRO 106 1HG PRO 106 2.266 12.063 5.337
285 1HD PRO 106 2HD PRO 106 3.318 10.258 3.554
286 2HD PRO 106 1HD PRO 106 3.473 10.127 5.317
287 H TYR 107 H TYR 107 -1.980 9.013 4.456
288 HA TYR 107 HA TYR 107 -1.866 8.019 1.769
289 1HB TYR 107 2HB TYR 107 -3.297 6.863 3.277
290 2HB TYR 107 1HB TYR 107 -4.104 8.348 3.761
291 HD1 TYR 107 HD2 TYR 107 -3.690 5.955 0.968
292 HD2 TYR 107 HD1 TYR 107 -5.974 9.164 2.569
293 HE1 TYR 107 HE2 TYR 107 -5.426 5.559 -0.732
294 HE2 TYR 107 HE1 TYR 107 -7.714 8.779 0.877
295 HH TYR 107 HH TYR 107 -8.050 7.775 -1.227
296 H GLU 108 H GLU 108 -1.890 9.260 0.067
297 HA GLU 108 HA GLU 108 -3.974 11.322 -0.064
298 1HB GLU 108 2HB GLU 108 -2.620 12.531 -1.739
299 2HB GLU 108 1HB GLU 108 -1.827 12.474 -0.172
300 1HG GLU 108 2HG GLU 108 -0.282 10.836 -0.921
301 2HG GLU 108 1HG GLU 108 -1.184 10.575 -2.412
302 H ASP 109 H ASP 109 -4.825 11.570 -2.312
303 HA ASP 109 HA ASP 109 -5.444 8.952 -3.317
304 1HB ASP 109 2HB ASP 109 -7.037 10.082 -4.761
305 2HB ASP 109 1HB ASP 109 -7.166 10.733 -3.132
Start of MODEL 5
1 HA PRO 5 HA PRO 5 0.557 -10.333 -3.290
2 1HB PRO 5 2HB PRO 5 -1.022 -12.664 -2.872
3 2HB PRO 5 1HB PRO 5 0.133 -12.376 -4.172
4 1HG PRO 5 2HG PRO 5 0.413 -14.264 -2.143
5 2HG PRO 5 1HG PRO 5 1.713 -13.677 -3.192
6 1HD PRO 5 2HD PRO 5 1.037 -12.902 -0.393
7 2HD PRO 5 1HD PRO 5 2.623 -13.005 -1.186
8 H LEU 6 H LEU 6 -1.258 -9.118 -3.032
9 HA LEU 6 HA LEU 6 -2.438 -9.236 -0.372
10 1HB LEU 6 2HB LEU 6 -3.410 -6.977 -0.882
11 2HB LEU 6 1HB LEU 6 -1.674 -7.046 -0.748
12 HG LEU 6 HG LEU 6 -2.427 -5.472 -2.489
13 1HD1 LEU 6 1HD1 LEU 6 -0.251 -6.496 -2.740
14 2HD1 LEU 6 2HD1 LEU 6 -1.005 -6.255 -4.316
15 3HD1 LEU 6 3HD1 LEU 6 -0.964 -7.864 -3.595
16 1HD2 LEU 6 1HD2 LEU 6 -4.465 -6.541 -3.208
17 2HD2 LEU 6 2HD2 LEU 6 -3.559 -7.910 -3.853
18 3HD2 LEU 6 3HD2 LEU 6 -3.388 -6.314 -4.586
19 HA PRO 7 HA PRO 7 -6.490 -10.179 -2.093
20 1HB PRO 7 2HB PRO 7 -7.858 -9.951 0.239
21 2HB PRO 7 1HB PRO 7 -6.868 -11.366 -0.128
22 1HG PRO 7 2HG PRO 7 -6.374 -9.186 1.793
23 2HG PRO 7 1HG PRO 7 -5.698 -10.821 1.743
24 1HD PRO 7 2HD PRO 7 -4.487 -8.378 0.867
25 2HD PRO 7 1HD PRO 7 -3.801 -10.007 0.820
26 HA PRO 8 HA PRO 8 -6.551 -5.908 -2.419
27 1HB PRO 8 2HB PRO 8 -7.977 -5.697 -4.788
28 2HB PRO 8 1HB PRO 8 -6.268 -6.107 -4.636
29 1HG PRO 8 2HG PRO 8 -8.423 -7.787 -5.500
30 2HG PRO 8 1HG PRO 8 -6.707 -8.196 -5.360
31 1HD PRO 8 2HD PRO 8 -8.936 -8.816 -3.532
32 2HD PRO 8 1HD PRO 8 -7.336 -9.580 -3.663
33 H GLY 9 H GLY 9 -8.191 -5.775 -0.501
34 1HA GLY 9 2HA GLY 9 -9.833 -3.559 -1.460
35 2HA GLY 9 1HA GLY 9 -9.343 -3.867 0.218
36 H TRP 10 H TRP 10 -6.757 -4.620 -0.898
37 HA TRP 10 HA TRP 10 -5.298 -2.181 -0.538
38 1HB TRP 10 2HB TRP 10 -4.362 -5.015 -1.083
39 2HB TRP 10 1HB TRP 10 -3.397 -3.698 -0.424
40 HD1 TRP 10 HD1 TRP 10 -5.251 -6.636 0.652
41 HE1 TRP 10 HE1 TRP 10 -5.738 -6.565 3.179
42 HE3 TRP 10 HE3 TRP 10 -4.175 -1.759 1.493
43 HZ2 TRP 10 HZ2 TRP 10 -5.649 -4.654 5.267
44 HZ3 TRP 10 HZ3 TRP 10 -4.407 -0.878 3.737
45 HH2 TRP 10 HH2 TRP 10 -5.122 -2.292 5.609
46 H GLU 11 H GLU 11 -3.664 -1.480 -2.023
47 HA GLU 11 HA GLU 11 -3.825 -2.515 -4.717
48 1HB GLU 11 2HB GLU 11 -4.072 -0.189 -5.606
49 2HB GLU 11 1HB GLU 11 -5.489 -0.748 -4.734
50 1HG GLU 11 2HG GLU 11 -4.205 0.413 -2.728
51 2HG GLU 11 1HG GLU 11 -3.585 1.386 -4.067
52 H LYS 12 H LYS 12 -1.833 -2.464 -5.652
53 HA LYS 12 HA LYS 12 0.183 -2.123 -3.598
54 1HB LYS 12 2HB LYS 12 -0.184 -4.273 -4.803
55 2HB LYS 12 1HB LYS 12 0.257 -3.475 -6.307
56 1HG LYS 12 2HG LYS 12 2.199 -4.540 -5.702
57 2HG LYS 12 1HG LYS 12 2.415 -2.893 -5.092
58 1HD LYS 12 2HD LYS 12 2.349 -3.528 -2.929
59 2HD LYS 12 1HD LYS 12 1.076 -4.709 -3.228
60 1HE LYS 12 2HE LYS 12 3.099 -5.820 -2.484
61 2HE LYS 12 1HE LYS 12 2.709 -6.277 -4.139
62 1HZ LYS 12 1HZ LYS 12 4.796 -4.356 -3.275
63 2HZ LYS 12 2HZ LYS 12 4.381 -4.647 -4.891
64 3HZ LYS 12 3HZ LYS 12 5.043 -5.891 -3.944
65 H ARG 13 H ARG 13 0.734 0.063 -3.635
66 HA ARG 13 HA ARG 13 1.580 1.172 -6.243
67 1HB ARG 13 2HB ARG 13 0.363 2.697 -3.933
68 2HB ARG 13 1HB ARG 13 0.827 3.369 -5.489
69 1HG ARG 13 2HG ARG 13 -0.881 1.996 -6.584
70 2HG ARG 13 1HG ARG 13 -1.339 1.332 -5.017
71 1HD ARG 13 2HD ARG 13 -2.907 3.025 -5.463
72 2HD ARG 13 1HD ARG 13 -1.788 3.710 -4.288
73 HE ARG 13 HE ARG 13 -1.200 4.270 -7.079
74 1HH1 ARG 13 1HH1 ARG 13 -2.631 5.395 -4.075
75 2HH1 ARG 13 2HH1 ARG 13 -2.740 7.052 -4.595
76 1HH2 ARG 13 1HH2 ARG 13 -1.355 6.443 -7.759
77 2HH2 ARG 13 2HH2 ARG 13 -2.046 7.638 -6.690
78 H THR 14 H THR 14 3.497 2.155 -6.362
79 HA THR 14 HA THR 14 5.266 2.127 -4.063
80 HB THR 14 HB THR 14 6.672 3.275 -6.149
81 HG1 THR 14 HG1 THR 14 5.986 2.452 -8.003
82 1HG2 THR 14 1HG2 THR 14 6.453 0.366 -5.375
83 2HG2 THR 14 2HG2 THR 14 7.587 1.562 -4.741
84 3HG2 THR 14 3HG2 THR 14 7.711 1.038 -6.418
85 H ASP 15 H ASP 15 6.266 3.934 -3.219
86 HA ASP 15 HA ASP 15 5.161 6.527 -3.951
87 1HB ASP 15 2HB ASP 15 6.523 7.451 -2.104
88 2HB ASP 15 1HB ASP 15 5.431 6.191 -1.555
89 H SER 16 H SER 16 6.769 8.276 -4.446
90 HA SER 16 HA SER 16 7.143 7.923 -7.003
91 1HB SER 16 2HB SER 16 9.114 9.512 -5.363
92 2HB SER 16 1HB SER 16 8.655 9.800 -7.044
93 HG SER 16 HG SER 16 6.764 10.602 -6.414
94 H ASN 17 H ASN 17 9.923 7.189 -4.787
95 HA ASN 17 HA ASN 17 11.375 6.361 -7.186
96 1HB ASN 17 2HB ASN 17 12.421 6.331 -4.355
97 2HB ASN 17 1HB ASN 17 13.353 6.306 -5.847
98 1HD2 ASN 17 1HD2 ASN 17 11.656 8.243 -3.559
99 2HD2 ASN 17 2HD2 ASN 17 12.112 9.780 -4.203
100 H GLY 18 H GLY 18 11.390 4.939 -3.960
101 1HA GLY 18 2HA GLY 18 11.797 2.330 -5.174
102 2HA GLY 18 1HA GLY 18 12.189 2.771 -3.532
103 H ARG 19 H ARG 19 9.575 3.673 -2.739
104 HA ARG 19 HA ARG 19 9.385 0.935 -1.752
105 1HB ARG 19 2HB ARG 19 10.008 2.699 -0.245
106 2HB ARG 19 1HB ARG 19 8.544 3.590 -0.614
107 1HG ARG 19 2HG ARG 19 7.282 1.622 0.347
108 2HG ARG 19 1HG ARG 19 8.840 1.067 0.970
109 1HD ARG 19 2HD ARG 19 7.531 3.728 1.520
110 2HD ARG 19 1HD ARG 19 7.668 2.384 2.649
111 HE ARG 19 HE ARG 19 10.038 2.785 2.752
112 1HH1 ARG 19 1HH1 ARG 19 8.246 5.198 0.956
113 2HH1 ARG 19 2HH1 ARG 19 9.395 6.462 1.271
114 1HH2 ARG 19 1HH2 ARG 19 11.589 4.453 3.149
115 2HH2 ARG 19 2HH2 ARG 19 11.283 6.044 2.511
116 H VAL 20 H VAL 20 7.659 -0.319 -1.824
117 HA VAL 20 HA VAL 20 5.115 0.857 -2.689
118 HB VAL 20 HB VAL 20 5.896 -1.068 -4.025
119 1HG1 VAL 20 1HG1 VAL 20 5.567 -2.632 -1.465
120 2HG1 VAL 20 2HG1 VAL 20 7.086 -2.289 -2.291
121 3HG1 VAL 20 3HG1 VAL 20 5.881 -3.322 -3.058
122 1HG2 VAL 20 1HG2 VAL 20 3.505 -0.624 -3.908
123 2HG2 VAL 20 2HG2 VAL 20 3.367 -1.567 -2.426
124 3HG2 VAL 20 3HG2 VAL 20 3.783 -2.361 -3.948
125 H TYR 21 H TYR 21 3.270 0.507 -1.574
126 HA TYR 21 HA TYR 21 3.340 -0.849 0.973
127 1HB TYR 21 2HB TYR 21 2.268 1.111 2.101
128 2HB TYR 21 1HB TYR 21 3.945 1.379 1.650
129 HD1 TYR 21 HD1 TYR 21 0.450 2.234 0.903
130 HD2 TYR 21 HD2 TYR 21 4.534 3.055 0.006
131 HE1 TYR 21 HE1 TYR 21 -0.230 4.272 -0.293
132 HE2 TYR 21 HE2 TYR 21 3.862 5.097 -1.183
133 HH TYR 21 HH TYR 21 1.926 6.029 -2.280
134 H PHE 22 H PHE 22 1.158 -1.362 1.737
135 HA PHE 22 HA PHE 22 -0.533 -1.814 -0.598
136 1HB PHE 22 2HB PHE 22 -0.686 -2.896 2.232
137 2HB PHE 22 1HB PHE 22 -1.828 -3.299 0.959
138 HD1 PHE 22 HD1 PHE 22 1.629 -2.938 -0.055
139 HD2 PHE 22 HD2 PHE 22 -1.277 -5.667 1.449
140 HE1 PHE 22 HE1 PHE 22 3.060 -4.825 -0.698
141 HE2 PHE 22 HE2 PHE 22 0.157 -7.551 0.796
142 HZ PHE 22 HZ PHE 22 2.328 -7.132 -0.271
143 H VAL 23 H VAL 23 -1.787 -0.220 -1.047
144 HA VAL 23 HA VAL 23 -2.668 1.620 1.019
145 HB VAL 23 HB VAL 23 -3.456 2.029 -1.807
146 1HG1 VAL 23 1HG1 VAL 23 -3.961 3.676 -0.096
147 2HG1 VAL 23 2HG1 VAL 23 -2.875 4.335 -1.320
148 3HG1 VAL 23 3HG1 VAL 23 -2.239 3.847 0.250
149 1HG2 VAL 23 1HG2 VAL 23 -1.224 1.117 -2.114
150 2HG2 VAL 23 2HG2 VAL 23 -0.585 2.263 -0.935
151 3HG2 VAL 23 3HG2 VAL 23 -1.242 2.847 -2.464
152 H ASN 24 H ASN 24 -4.795 1.969 1.535
153 HA ASN 24 HA ASN 24 -6.762 0.311 0.105
154 1HB ASN 24 2HB ASN 24 -6.217 -0.462 2.476
155 2HB ASN 24 1HB ASN 24 -6.961 1.035 3.032
156 1HD2 ASN 24 1HD2 ASN 24 -7.476 -2.105 1.758
157 2HD2 ASN 24 2HD2 ASN 24 -9.209 -2.102 1.864
158 H HIS 25 H HIS 25 -7.447 1.946 -1.244
159 HA HIS 25 HA HIS 25 -7.892 4.609 -0.530
160 1HB HIS 25 2HB HIS 25 -8.835 2.854 -2.745
161 2HB HIS 25 1HB HIS 25 -9.616 4.416 -2.533
162 HD1 HIS 25 HD1 HIS 25 -8.642 5.351 -4.710
163 HD2 HIS 25 HD2 HIS 25 -5.747 4.073 -2.022
164 HE1 HIS 25 HE1 HIS 25 -6.483 6.342 -5.521
165 HE2 HIS 25 HE2 HIS 25 -4.840 5.840 -3.687
166 H ASN 26 H ASN 26 -9.837 1.847 0.132
167 HA ASN 26 HA ASN 26 -12.345 3.173 0.377
168 1HB ASN 26 2HB ASN 26 -11.503 0.598 1.729
169 2HB ASN 26 1HB ASN 26 -13.147 1.135 1.397
170 1HD2 ASN 26 1HD2 ASN 26 -10.314 -0.360 0.124
171 2HD2 ASN 26 2HD2 ASN 26 -10.975 -0.778 -1.416
172 H THR 27 H THR 27 -10.051 1.940 2.796
173 HA THR 27 HA THR 27 -11.409 3.320 4.938
174 HB THR 27 HB THR 27 -9.673 2.362 6.366
175 HG1 THR 27 HG1 THR 27 -8.764 0.781 4.222
176 1HG2 THR 27 1HG2 THR 27 -11.015 0.404 4.506
177 2HG2 THR 27 2HG2 THR 27 -11.727 1.124 5.950
178 3HG2 THR 27 3HG2 THR 27 -10.362 0.015 6.097
179 H ARG 28 H ARG 28 -8.822 3.967 2.800
180 HA ARG 28 HA ARG 28 -7.484 5.773 2.489
181 1HB ARG 28 2HB ARG 28 -8.873 6.957 4.903
182 2HB ARG 28 1HB ARG 28 -7.792 7.826 3.817
183 1HG ARG 28 2HG ARG 28 -9.332 7.402 1.964
184 2HG ARG 28 1HG ARG 28 -10.424 6.568 3.065
185 1HD ARG 28 2HD ARG 28 -10.575 8.689 4.384
186 2HD ARG 28 1HD ARG 28 -9.646 9.479 3.108
187 HE ARG 28 HE ARG 28 -12.111 8.080 2.375
188 1HH1 ARG 28 1HH1 ARG 28 -10.483 11.138 2.932
189 2HH1 ARG 28 2HH1 ARG 28 -11.617 12.061 1.997
190 1HH2 ARG 28 1HH2 ARG 28 -13.583 9.256 1.136
191 2HH2 ARG 28 2HH2 ARG 28 -13.419 10.982 0.984
192 H ILE 29 H ILE 29 -6.784 3.488 3.991
193 HA ILE 29 HA ILE 29 -4.806 4.573 5.883
194 HB ILE 29 HB ILE 29 -6.109 1.844 5.787
195 1HG1 ILE 29 2HG1 ILE 29 -6.190 4.023 7.889
196 2HG1 ILE 29 1HG1 ILE 29 -7.480 3.670 6.744
197 1HG2 ILE 29 1HG2 ILE 29 -3.910 2.844 7.593
198 2HG2 ILE 29 2HG2 ILE 29 -3.803 1.534 6.413
199 3HG2 ILE 29 3HG2 ILE 29 -4.819 1.357 7.843
200 1HD1 ILE 29 1HD1 ILE 29 -7.760 1.460 7.740
201 2HD1 ILE 29 2HD1 ILE 29 -7.952 2.737 8.942
202 3HD1 ILE 29 3HD1 ILE 29 -6.456 1.803 8.874
203 H THR 30 H THR 30 -2.670 4.008 5.668
204 HA THR 30 HA THR 30 -1.960 2.409 3.306
205 HB THR 30 HB THR 30 0.307 3.613 3.598
206 HG1 THR 30 HG1 THR 30 0.315 5.436 4.819
207 1HG2 THR 30 1HG2 THR 30 -1.223 4.061 1.746
208 2HG2 THR 30 2HG2 THR 30 -0.469 5.553 2.311
209 3HG2 THR 30 3HG2 THR 30 -2.133 5.180 2.759
210 H GLN 31 H GLN 31 -1.554 0.381 3.927
211 HA GLN 31 HA GLN 31 0.014 -0.023 6.387
212 1HB GLN 31 2HB GLN 31 -2.173 -1.759 5.236
213 2HB GLN 31 1HB GLN 31 -1.129 -2.235 6.565
214 1HG GLN 31 2HG GLN 31 -2.900 0.192 6.601
215 2HG GLN 31 1HG GLN 31 -3.339 -1.373 7.291
216 1HE2 GLN 31 1HE2 GLN 31 -2.948 1.253 8.570
217 2HE2 GLN 31 2HE2 GLN 31 -1.754 1.000 9.800
218 H TRP 32 H TRP 32 1.538 -1.692 6.428
219 HA TRP 32 HA TRP 32 2.762 -2.216 3.840
220 1HB TRP 32 2HB TRP 32 3.674 -2.962 6.631
221 2HB TRP 32 1HB TRP 32 4.622 -3.136 5.164
222 HD1 TRP 32 HD1 TRP 32 2.997 -0.259 7.221
223 HE1 TRP 32 HE1 TRP 32 4.551 1.785 7.063
224 HE3 TRP 32 HE3 TRP 32 6.494 -2.138 3.999
225 HZ2 TRP 32 HZ2 TRP 32 6.936 2.507 5.753
226 HZ3 TRP 32 HZ3 TRP 32 8.393 -0.706 3.359
227 HH2 TRP 32 HH2 TRP 32 8.605 1.573 4.218
228 H GLU 33 H GLU 33 0.678 -3.804 6.031
229 HA GLU 33 HA GLU 33 1.741 -6.459 5.426
230 1HB GLU 33 2HB GLU 33 0.373 -7.216 7.319
231 2HB GLU 33 1HB GLU 33 1.485 -5.933 7.772
232 1HG GLU 33 2HG GLU 33 -0.326 -4.311 7.692
233 2HG GLU 33 1HG GLU 33 -1.449 -5.577 7.196
234 H ASP 34 H ASP 34 0.471 -8.153 4.668
235 HA ASP 34 HA ASP 34 -2.100 -7.386 3.485
236 1HB ASP 34 2HB ASP 34 -1.770 -9.346 1.992
237 2HB ASP 34 1HB ASP 34 -0.523 -8.124 1.810
238 HA PRO 35 HA PRO 35 -3.955 -9.707 6.960
239 1HB PRO 35 2HB PRO 35 -6.239 -9.386 5.132
240 2HB PRO 35 1HB PRO 35 -6.081 -8.933 6.826
241 1HG PRO 35 2HG PRO 35 -5.893 -7.226 4.583
242 2HG PRO 35 1HG PRO 35 -5.556 -6.825 6.264
243 1HD PRO 35 2HD PRO 35 -3.707 -6.951 4.146
244 2HD PRO 35 1HD PRO 35 -3.337 -6.780 5.869
245 1H GLU 101 1H GLU 101 14.310 0.910 11.328
246 2H GLU 101 2H GLU 101 14.985 0.674 9.797
247 3H GLU 101 3H GLU 101 14.568 -0.660 10.761
248 HA GLU 101 HA GLU 101 12.975 -0.265 8.968
249 1HB GLU 101 2HB GLU 101 11.940 0.189 11.777
250 2HB GLU 101 1HB GLU 101 10.946 -0.289 10.407
251 1HG GLU 101 2HG GLU 101 12.230 -2.361 10.199
252 2HG GLU 101 1HG GLU 101 13.212 -1.884 11.583
253 H GLU 102 H GLU 102 11.476 1.085 7.978
254 HA GLU 102 HA GLU 102 11.967 3.937 8.499
255 1HB GLU 102 2HB GLU 102 10.947 2.498 6.044
256 2HB GLU 102 1HB GLU 102 11.167 4.240 6.168
257 1HG GLU 102 2HG GLU 102 13.491 4.057 6.253
258 2HG GLU 102 1HG GLU 102 13.430 2.341 6.646
259 HA PRO 103 HA PRO 103 7.676 4.453 9.573
260 1HB PRO 103 2HB PRO 103 7.865 7.261 8.853
261 2HB PRO 103 1HB PRO 103 7.781 6.541 10.463
262 1HG PRO 103 2HG PRO 103 10.007 7.788 9.493
263 2HG PRO 103 1HG PRO 103 10.064 6.479 10.690
264 1HD PRO 103 2HD PRO 103 10.529 6.365 7.728
265 2HD PRO 103 1HD PRO 103 11.422 5.567 9.044
266 HA PRO 104 HA PRO 104 5.620 4.391 5.663
267 1HB PRO 104 2HB PRO 104 3.057 4.521 6.474
268 2HB PRO 104 1HB PRO 104 4.058 3.095 6.765
269 1HG PRO 104 2HG PRO 104 3.306 5.296 8.634
270 2HG PRO 104 1HG PRO 104 3.437 3.556 8.945
271 1HD PRO 104 2HD PRO 104 5.366 5.405 9.610
272 2HD PRO 104 1HD PRO 104 5.681 3.679 9.347
273 HA PRO 105 HA PRO 105 4.563 8.633 4.700
274 1HB PRO 105 2HB PRO 105 3.446 7.720 2.185
275 2HB PRO 105 1HB PRO 105 4.945 8.607 2.462
276 1HG PRO 105 2HG PRO 105 4.864 6.017 1.591
277 2HG PRO 105 1HG PRO 105 6.212 6.698 2.523
278 1HD PRO 105 2HD PRO 105 3.931 4.989 3.452
279 2HD PRO 105 1HD PRO 105 5.648 4.925 3.913
280 HA PRO 106 HA PRO 106 0.279 8.646 5.721
281 1HB PRO 106 2HB PRO 106 -0.307 11.239 5.297
282 2HB PRO 106 1HB PRO 106 0.750 10.723 6.615
283 1HG PRO 106 2HG PRO 106 1.465 11.863 3.947
284 2HG PRO 106 1HG PRO 106 2.163 12.210 5.539
285 1HD PRO 106 2HD PRO 106 3.299 10.524 3.701
286 2HD PRO 106 1HD PRO 106 3.553 10.398 5.454
287 H TYR 107 H TYR 107 -1.748 8.545 4.820
288 HA TYR 107 HA TYR 107 -1.865 8.274 1.964
289 1HB TYR 107 2HB TYR 107 -3.105 6.729 3.416
290 2HB TYR 107 1HB TYR 107 -4.051 8.070 4.054
291 HD1 TYR 107 HD1 TYR 107 -3.477 5.911 1.142
292 HD2 TYR 107 HD2 TYR 107 -5.856 9.039 2.761
293 HE1 TYR 107 HE1 TYR 107 -5.118 5.581 -0.658
294 HE2 TYR 107 HE2 TYR 107 -7.508 8.718 0.967
295 HH TYR 107 HH TYR 107 -7.571 7.787 -1.355
296 H GLU 108 H GLU 108 -2.669 9.654 0.525
297 HA GLU 108 HA GLU 108 -4.339 11.874 1.289
298 1HB GLU 108 2HB GLU 108 -1.954 12.582 1.749
299 2HB GLU 108 1HB GLU 108 -1.657 12.444 0.024
300 1HG GLU 108 2HG GLU 108 -3.176 14.203 -0.458
301 2HG GLU 108 1HG GLU 108 -3.759 14.234 1.205
302 H ASP 109 H ASP 109 -2.582 10.046 -1.120
303 HA ASP 109 HA ASP 109 -4.391 11.021 -3.210
304 1HB ASP 109 2HB ASP 109 -1.984 11.121 -3.741
305 2HB ASP 109 1HB ASP 109 -1.854 9.384 -3.472
Start of MODEL 6
1 HA PRO 5 HA PRO 5 0.083 -10.088 -3.558
2 1HB PRO 5 2HB PRO 5 -1.148 -12.662 -2.795
3 2HB PRO 5 1HB PRO 5 -0.548 -12.132 -4.370
4 1HG PRO 5 2HG PRO 5 0.750 -13.986 -2.930
5 2HG PRO 5 1HG PRO 5 1.615 -12.799 -3.924
6 1HD PRO 5 2HD PRO 5 1.168 -12.820 -0.961
7 2HD PRO 5 1HD PRO 5 2.631 -12.399 -1.878
8 H LEU 6 H LEU 6 -1.486 -8.696 -3.028
9 HA LEU 6 HA LEU 6 -2.663 -8.944 -0.391
10 1HB LEU 6 2HB LEU 6 -3.588 -6.616 -0.875
11 2HB LEU 6 1HB LEU 6 -1.866 -6.772 -0.650
12 HG LEU 6 HG LEU 6 -2.513 -5.132 -2.411
13 1HD1 LEU 6 1HD1 LEU 6 -0.314 -6.141 -2.482
14 2HD1 LEU 6 2HD1 LEU 6 -0.930 -5.878 -4.114
15 3HD1 LEU 6 3HD1 LEU 6 -0.941 -7.498 -3.418
16 1HD2 LEU 6 1HD2 LEU 6 -3.487 -7.554 -3.924
17 2HD2 LEU 6 2HD2 LEU 6 -3.310 -5.925 -4.577
18 3HD2 LEU 6 3HD2 LEU 6 -4.484 -6.240 -3.300
19 HA PRO 7 HA PRO 7 -6.768 -9.796 -1.975
20 1HB PRO 7 2HB PRO 7 -8.073 -9.492 0.397
21 2HB PRO 7 1HB PRO 7 -7.110 -10.923 0.022
22 1HG PRO 7 2HG PRO 7 -6.550 -8.756 1.927
23 2HG PRO 7 1HG PRO 7 -5.824 -10.367 1.801
24 1HD PRO 7 2HD PRO 7 -4.786 -7.847 0.871
25 2HD PRO 7 1HD PRO 7 -4.000 -9.435 0.867
26 HA PRO 8 HA PRO 8 -6.715 -5.522 -2.357
27 1HB PRO 8 2HB PRO 8 -7.907 -5.338 -4.851
28 2HB PRO 8 1HB PRO 8 -6.228 -5.774 -4.536
29 1HG PRO 8 2HG PRO 8 -8.327 -7.440 -5.563
30 2HG PRO 8 1HG PRO 8 -6.641 -7.875 -5.250
31 1HD PRO 8 2HD PRO 8 -9.040 -8.400 -3.625
32 2HD PRO 8 1HD PRO 8 -7.460 -9.212 -3.604
33 H GLY 9 H GLY 9 -8.560 -5.311 -0.599
34 1HA GLY 9 2HA GLY 9 -10.033 -3.090 -1.801
35 2HA GLY 9 1HA GLY 9 -9.734 -3.348 -0.069
36 H TRP 10 H TRP 10 -7.073 -4.218 -0.898
37 HA TRP 10 HA TRP 10 -5.564 -1.777 -0.536
38 1HB TRP 10 2HB TRP 10 -4.696 -4.676 -0.760
39 2HB TRP 10 1HB TRP 10 -3.734 -3.348 -0.124
40 HD1 TRP 10 HD1 TRP 10 -6.433 -5.813 0.799
41 HE1 TRP 10 HE1 TRP 10 -6.867 -5.712 3.327
42 HE3 TRP 10 HE3 TRP 10 -3.672 -1.673 1.914
43 HZ2 TRP 10 HZ2 TRP 10 -6.126 -4.103 5.506
44 HZ3 TRP 10 HZ3 TRP 10 -3.588 -0.927 4.240
45 HH2 TRP 10 HH2 TRP 10 -4.788 -2.130 6.004
46 H GLU 11 H GLU 11 -3.676 -1.338 -2.055
47 HA GLU 11 HA GLU 11 -3.895 -2.666 -4.588
48 1HB GLU 11 2HB GLU 11 -4.158 -0.659 -5.923
49 2HB GLU 11 1HB GLU 11 -5.535 -0.783 -4.836
50 1HG GLU 11 2HG GLU 11 -4.889 1.005 -3.584
51 2HG GLU 11 1HG GLU 11 -3.183 0.790 -3.983
52 H LYS 12 H LYS 12 -1.906 -2.388 -5.688
53 HA LYS 12 HA LYS 12 0.070 -1.882 -3.660
54 1HB LYS 12 2HB LYS 12 -0.006 -4.029 -4.897
55 2HB LYS 12 1HB LYS 12 0.313 -3.154 -6.395
56 1HG LYS 12 2HG LYS 12 2.077 -2.862 -4.068
57 2HG LYS 12 1HG LYS 12 2.252 -4.281 -5.116
58 1HD LYS 12 2HD LYS 12 2.365 -2.578 -7.046
59 2HD LYS 12 1HD LYS 12 2.626 -1.367 -5.780
60 1HE LYS 12 2HE LYS 12 4.636 -2.447 -5.082
61 2HE LYS 12 1HE LYS 12 4.317 -3.844 -6.105
62 1HZ LYS 12 1HZ LYS 12 5.962 -2.477 -7.134
63 2HZ LYS 12 2HZ LYS 12 4.980 -1.102 -7.016
64 3HZ LYS 12 3HZ LYS 12 4.533 -2.369 -8.045
65 H ARG 13 H ARG 13 0.824 0.126 -3.552
66 HA ARG 13 HA ARG 13 1.546 1.456 -6.079
67 1HB ARG 13 2HB ARG 13 0.299 2.751 -3.657
68 2HB ARG 13 1HB ARG 13 0.991 3.637 -5.003
69 1HG ARG 13 2HG ARG 13 -0.646 2.726 -6.510
70 2HG ARG 13 1HG ARG 13 -1.303 1.706 -5.230
71 1HD ARG 13 2HD ARG 13 -2.734 3.606 -5.514
72 2HD ARG 13 1HD ARG 13 -1.899 3.756 -3.974
73 HE ARG 13 HE ARG 13 -0.337 5.288 -5.324
74 1HH1 ARG 13 1HH1 ARG 13 -3.765 4.896 -5.867
75 2HH1 ARG 13 2HH1 ARG 13 -3.995 6.521 -6.436
76 1HH2 ARG 13 1HH2 ARG 13 -0.635 7.461 -6.070
77 2HH2 ARG 13 2HH2 ARG 13 -2.227 7.974 -6.558
78 H THR 14 H THR 14 3.445 2.346 -6.182
79 HA THR 14 HA THR 14 5.280 2.203 -3.945
80 HB THR 14 HB THR 14 6.601 3.456 -6.042
81 HG1 THR 14 HG1 THR 14 5.787 2.771 -7.882
82 1HG2 THR 14 1HG2 THR 14 7.459 1.626 -4.631
83 2HG2 THR 14 2HG2 THR 14 7.762 1.350 -6.343
84 3HG2 THR 14 3HG2 THR 14 6.455 0.484 -5.527
85 H ASP 15 H ASP 15 6.258 4.031 -3.025
86 HA ASP 15 HA ASP 15 5.062 6.603 -3.721
87 1HB ASP 15 2HB ASP 15 6.342 7.567 -1.892
88 2HB ASP 15 1HB ASP 15 5.507 6.141 -1.300
89 H SER 16 H SER 16 6.720 8.377 -4.306
90 HA SER 16 HA SER 16 6.754 7.879 -6.869
91 1HB SER 16 2HB SER 16 8.602 9.603 -7.137
92 2HB SER 16 1HB SER 16 7.198 10.075 -6.179
93 HG SER 16 HG SER 16 8.501 9.389 -4.306
94 H ASN 17 H ASN 17 9.812 7.197 -5.045
95 HA ASN 17 HA ASN 17 10.872 6.161 -7.561
96 1HB ASN 17 2HB ASN 17 12.291 7.676 -6.256
97 2HB ASN 17 1HB ASN 17 12.239 6.559 -4.897
98 1HD2 ASN 17 1HD2 ASN 17 14.413 6.225 -4.829
99 2HD2 ASN 17 2HD2 ASN 17 15.285 5.361 -6.049
100 H GLY 18 H GLY 18 11.272 4.981 -4.235
101 1HA GLY 18 2HA GLY 18 11.704 2.341 -5.384
102 2HA GLY 18 1HA GLY 18 12.210 2.870 -3.799
103 H ARG 19 H ARG 19 9.641 3.657 -2.784
104 HA ARG 19 HA ARG 19 9.464 0.908 -1.811
105 1HB ARG 19 2HB ARG 19 10.117 2.563 -0.225
106 2HB ARG 19 1HB ARG 19 8.706 3.544 -0.582
107 1HG ARG 19 2HG ARG 19 7.348 1.531 0.246
108 2HG ARG 19 1HG ARG 19 8.873 0.975 0.939
109 1HD ARG 19 2HD ARG 19 7.647 3.680 1.451
110 2HD ARG 19 1HD ARG 19 7.459 2.285 2.511
111 HE ARG 19 HE ARG 19 9.739 2.446 3.096
112 1HH1 ARG 19 1HH1 ARG 19 8.770 4.971 0.847
113 2HH1 ARG 19 2HH1 ARG 19 10.066 6.031 1.314
114 1HH2 ARG 19 1HH2 ARG 19 11.417 3.812 3.697
115 2HH2 ARG 19 2HH2 ARG 19 11.582 5.373 2.943
116 H VAL 20 H VAL 20 7.739 -0.349 -1.829
117 HA VAL 20 HA VAL 20 5.183 0.752 -2.712
118 HB VAL 20 HB VAL 20 5.791 -1.314 -3.811
119 1HG1 VAL 20 1HG1 VAL 20 5.916 -2.528 -1.053
120 2HG1 VAL 20 2HG1 VAL 20 7.284 -2.242 -2.129
121 3HG1 VAL 20 3HG1 VAL 20 6.045 -3.418 -2.568
122 1HG2 VAL 20 1HG2 VAL 20 3.400 -0.979 -3.375
123 2HG2 VAL 20 2HG2 VAL 20 3.561 -1.764 -1.805
124 3HG2 VAL 20 3HG2 VAL 20 3.807 -2.693 -3.282
125 H TYR 21 H TYR 21 3.391 0.748 -1.523
126 HA TYR 21 HA TYR 21 3.348 -0.508 1.075
127 1HB TYR 21 2HB TYR 21 2.337 1.554 2.076
128 2HB TYR 21 1HB TYR 21 4.033 1.724 1.640
129 HD1 TYR 21 HD1 TYR 21 4.676 3.076 -0.339
130 HD2 TYR 21 HD2 TYR 21 0.633 2.873 0.989
131 HE1 TYR 21 HE1 TYR 21 4.136 5.063 -1.680
132 HE2 TYR 21 HE2 TYR 21 0.091 4.858 -0.356
133 HH TYR 21 HH TYR 21 2.216 6.130 -2.704
134 H PHE 22 H PHE 22 1.243 -1.047 1.762
135 HA PHE 22 HA PHE 22 -0.498 -1.433 -0.540
136 1HB PHE 22 2HB PHE 22 -0.482 -2.654 2.233
137 2HB PHE 22 1HB PHE 22 -1.721 -2.993 1.032
138 HD1 PHE 22 HD1 PHE 22 1.581 -2.494 -0.309
139 HD2 PHE 22 HD2 PHE 22 -1.039 -5.390 1.383
140 HE1 PHE 22 HE1 PHE 22 2.973 -4.291 -1.240
141 HE2 PHE 22 HE2 PHE 22 0.352 -7.190 0.453
142 HZ PHE 22 HZ PHE 22 2.362 -6.644 -0.857
143 H VAL 23 H VAL 23 -1.894 0.047 -0.918
144 HA VAL 23 HA VAL 23 -2.872 1.724 1.262
145 HB VAL 23 HB VAL 23 -2.108 3.305 -0.131
146 1HG1 VAL 23 1HG1 VAL 23 -0.936 1.598 -1.495
147 2HG1 VAL 23 2HG1 VAL 23 -1.474 2.985 -2.436
148 3HG1 VAL 23 3HG1 VAL 23 -2.367 1.469 -2.517
149 1HG2 VAL 23 1HG2 VAL 23 -4.562 2.560 -1.714
150 2HG2 VAL 23 2HG2 VAL 23 -3.655 4.059 -1.899
151 3HG2 VAL 23 3HG2 VAL 23 -4.468 3.705 -0.376
152 H ASN 24 H ASN 24 -4.874 1.593 1.926
153 HA ASN 24 HA ASN 24 -6.798 0.055 0.314
154 1HB ASN 24 2HB ASN 24 -6.259 -0.722 2.656
155 2HB ASN 24 1HB ASN 24 -6.988 0.766 3.252
156 1HD2 ASN 24 1HD2 ASN 24 -7.535 -2.362 1.967
157 2HD2 ASN 24 2HD2 ASN 24 -9.258 -2.358 2.112
158 H HIS 25 H HIS 25 -8.575 1.040 -0.497
159 HA HIS 25 HA HIS 25 -8.743 3.924 -0.162
160 1HB HIS 25 2HB HIS 25 -9.947 1.976 -2.096
161 2HB HIS 25 1HB HIS 25 -10.583 3.613 -1.962
162 HD1 HIS 25 HD1 HIS 25 -9.585 5.151 -3.602
163 HD2 HIS 25 HD2 HIS 25 -6.921 2.167 -2.466
164 HE1 HIS 25 HE1 HIS 25 -7.485 5.563 -4.922
165 HE2 HIS 25 HE2 HIS 25 -5.982 3.619 -4.385
166 H ASN 26 H ASN 26 -10.403 1.148 0.984
167 HA ASN 26 HA ASN 26 -12.909 2.456 1.470
168 1HB ASN 26 2HB ASN 26 -12.722 -0.015 1.202
169 2HB ASN 26 1HB ASN 26 -11.834 -0.084 2.721
170 1HD2 ASN 26 1HD2 ASN 26 -13.372 -1.383 3.706
171 2HD2 ASN 26 2HD2 ASN 26 -14.913 -0.778 4.194
172 H THR 27 H THR 27 -10.088 1.583 3.423
173 HA THR 27 HA THR 27 -11.145 2.971 5.749
174 HB THR 27 HB THR 27 -9.126 2.226 6.873
175 HG1 THR 27 HG1 THR 27 -7.864 0.602 5.553
176 1HG2 THR 27 1HG2 THR 27 -9.574 -0.189 6.785
177 2HG2 THR 27 2HG2 THR 27 -10.532 0.058 5.324
178 3HG2 THR 27 3HG2 THR 27 -11.057 0.761 6.856
179 H ARG 28 H ARG 28 -9.119 3.634 3.084
180 HA ARG 28 HA ARG 28 -7.908 5.438 2.422
181 1HB ARG 28 2HB ARG 28 -8.900 6.806 4.936
182 2HB ARG 28 1HB ARG 28 -8.211 7.582 3.517
183 1HG ARG 28 2HG ARG 28 -10.115 7.075 2.199
184 2HG ARG 28 1HG ARG 28 -10.751 5.978 3.427
185 1HD ARG 28 2HD ARG 28 -10.493 8.974 3.608
186 2HD ARG 28 1HD ARG 28 -11.982 8.031 3.548
187 HE ARG 28 HE ARG 28 -10.295 7.341 5.763
188 1HH1 ARG 28 1HH1 ARG 28 -12.802 9.540 4.670
189 2HH1 ARG 28 2HH1 ARG 28 -13.328 9.929 6.281
190 1HH2 ARG 28 1HH2 ARG 28 -10.973 7.895 7.875
191 2HH2 ARG 28 2HH2 ARG 28 -12.268 9.029 8.098
192 H ILE 29 H ILE 29 -6.844 3.338 4.096
193 HA ILE 29 HA ILE 29 -4.784 4.784 5.635
194 HB ILE 29 HB ILE 29 -6.025 2.081 6.157
195 1HG1 ILE 29 2HG1 ILE 29 -7.337 3.954 6.973
196 2HG1 ILE 29 1HG1 ILE 29 -6.620 3.097 8.334
197 1HG2 ILE 29 1HG2 ILE 29 -4.509 1.946 8.126
198 2HG2 ILE 29 2HG2 ILE 29 -3.622 3.328 7.482
199 3HG2 ILE 29 3HG2 ILE 29 -3.676 1.813 6.576
200 1HD1 ILE 29 1HD1 ILE 29 -4.898 4.818 8.507
201 2HD1 ILE 29 2HD1 ILE 29 -6.518 5.503 8.644
202 3HD1 ILE 29 3HD1 ILE 29 -5.612 5.672 7.140
203 H THR 30 H THR 30 -2.685 4.337 5.277
204 HA THR 30 HA THR 30 -2.030 2.353 3.225
205 HB THR 30 HB THR 30 0.242 3.615 3.337
206 HG1 THR 30 HG1 THR 30 0.276 5.414 4.483
207 1HG2 THR 30 1HG2 THR 30 -2.255 4.925 2.255
208 2HG2 THR 30 2HG2 THR 30 -1.250 3.739 1.425
209 3HG2 THR 30 3HG2 THR 30 -0.610 5.342 1.784
210 H GLN 31 H GLN 31 -1.166 0.482 3.859
211 HA GLN 31 HA GLN 31 0.278 0.375 6.424
212 1HB GLN 31 2HB GLN 31 -1.867 -1.540 5.484
213 2HB GLN 31 1HB GLN 31 -0.821 -1.828 6.860
214 1HG GLN 31 2HG GLN 31 -2.599 0.567 6.660
215 2HG GLN 31 1HG GLN 31 -3.117 -0.958 7.375
216 1HE2 GLN 31 1HE2 GLN 31 -0.994 1.795 7.696
217 2HE2 GLN 31 2HE2 GLN 31 -0.629 1.555 9.371
218 H TRP 32 H TRP 32 1.881 -1.271 6.582
219 HA TRP 32 HA TRP 32 3.200 -1.846 4.107
220 1HB TRP 32 2HB TRP 32 3.740 -2.910 6.894
221 2HB TRP 32 1HB TRP 32 4.809 -3.106 5.514
222 HD1 TRP 32 HD1 TRP 32 3.661 -0.535 8.071
223 HE1 TRP 32 HE1 TRP 32 5.289 1.464 8.021
224 HE3 TRP 32 HE3 TRP 32 6.407 -1.842 3.975
225 HZ2 TRP 32 HZ2 TRP 32 7.467 2.358 6.445
226 HZ3 TRP 32 HZ3 TRP 32 8.248 -0.375 3.264
227 HH2 TRP 32 HH2 TRP 32 8.765 1.681 4.473
228 H GLU 33 H GLU 33 1.715 -3.918 6.605
229 HA GLU 33 HA GLU 33 2.081 -6.254 4.904
230 1HB GLU 33 2HB GLU 33 0.717 -6.392 7.560
231 2HB GLU 33 1HB GLU 33 1.769 -7.565 6.789
232 1HG GLU 33 2HG GLU 33 3.180 -6.850 8.394
233 2HG GLU 33 1HG GLU 33 3.550 -5.635 7.170
234 H ASP 34 H ASP 34 0.393 -7.659 4.283
235 HA ASP 34 HA ASP 34 -2.221 -6.329 4.179
236 1HB ASP 34 2HB ASP 34 -2.683 -7.408 2.156
237 2HB ASP 34 1HB ASP 34 -0.981 -6.988 2.025
238 HA PRO 35 HA PRO 35 -4.059 -9.203 6.996
239 1HB PRO 35 2HB PRO 35 -6.427 -9.060 5.254
240 2HB PRO 35 1HB PRO 35 -6.261 -8.659 6.962
241 1HG PRO 35 2HG PRO 35 -6.488 -6.803 4.977
242 2HG PRO 35 1HG PRO 35 -5.699 -6.508 6.520
243 1HD PRO 35 2HD PRO 35 -4.528 -6.803 3.857
244 2HD PRO 35 1HD PRO 35 -3.849 -6.063 5.311
245 1H GLU 101 1H GLU 101 14.671 0.951 12.122
246 2H GLU 101 2H GLU 101 14.657 0.259 10.573
247 3H GLU 101 3H GLU 101 14.493 -0.727 11.940
248 HA GLU 101 HA GLU 101 12.382 -0.418 10.831
249 1HB GLU 101 2HB GLU 101 12.328 1.134 13.415
250 2HB GLU 101 1HB GLU 101 11.113 0.038 12.774
251 1HG GLU 101 2HG GLU 101 13.775 -0.666 13.986
252 2HG GLU 101 1HG GLU 101 12.167 -1.075 14.581
253 H GLU 102 H GLU 102 11.296 0.881 9.460
254 HA GLU 102 HA GLU 102 11.745 3.783 9.723
255 1HB GLU 102 2HB GLU 102 11.375 3.898 7.248
256 2HB GLU 102 1HB GLU 102 12.831 3.046 7.733
257 1HG GLU 102 2HG GLU 102 11.590 0.902 7.424
258 2HG GLU 102 1HG GLU 102 10.252 1.841 6.759
259 HA PRO 103 HA PRO 103 7.386 4.290 10.137
260 1HB PRO 103 2HB PRO 103 7.567 7.002 9.132
261 2HB PRO 103 1HB PRO 103 7.382 6.453 10.800
262 1HG PRO 103 2HG PRO 103 9.636 7.662 9.855
263 2HG PRO 103 1HG PRO 103 9.631 6.508 11.200
264 1HD PRO 103 2HD PRO 103 10.334 6.059 8.319
265 2HD PRO 103 1HD PRO 103 11.142 5.456 9.783
266 HA PRO 104 HA PRO 104 5.567 3.812 6.113
267 1HB PRO 104 2HB PRO 104 2.969 3.970 6.758
268 2HB PRO 104 1HB PRO 104 3.971 2.603 7.264
269 1HG PRO 104 2HG PRO 104 3.129 5.014 8.833
270 2HG PRO 104 1HG PRO 104 3.164 3.313 9.335
271 1HD PRO 104 2HD PRO 104 5.120 5.118 9.968
272 2HD PRO 104 1HD PRO 104 5.411 3.375 9.806
273 HA PRO 105 HA PRO 105 4.620 7.912 4.619
274 1HB PRO 105 2HB PRO 105 3.639 6.695 2.170
275 2HB PRO 105 1HB PRO 105 5.128 7.606 2.435
276 1HG PRO 105 2HG PRO 105 5.111 4.942 1.903
277 2HG PRO 105 1HG PRO 105 6.359 5.718 2.889
278 1HD PRO 105 2HD PRO 105 3.942 4.179 3.773
279 2HD PRO 105 1HD PRO 105 5.610 4.102 4.385
280 HA PRO 106 HA PRO 106 0.244 8.325 5.191
281 1HB PRO 106 2HB PRO 106 0.354 10.970 4.022
282 2HB PRO 106 1HB PRO 106 0.191 10.518 5.719
283 1HG PRO 106 2HG PRO 106 2.411 11.719 4.690
284 2HG PRO 106 1HG PRO 106 2.442 10.649 6.102
285 1HD PRO 106 2HD PRO 106 3.147 10.042 3.251
286 2HD PRO 106 1HD PRO 106 3.967 9.536 4.746
287 H TYR 107 H TYR 107 -1.667 8.250 4.086
288 HA TYR 107 HA TYR 107 -1.608 7.789 1.254
289 1HB TYR 107 2HB TYR 107 -3.068 6.447 2.654
290 2HB TYR 107 1HB TYR 107 -3.868 7.883 3.267
291 HD1 TYR 107 HD1 TYR 107 -3.254 6.089 0.032
292 HD2 TYR 107 HD2 TYR 107 -5.872 8.527 2.339
293 HE1 TYR 107 HE1 TYR 107 -4.967 5.899 -1.719
294 HE2 TYR 107 HE2 TYR 107 -7.592 8.344 0.595
295 HH TYR 107 HH TYR 107 -7.661 7.901 -1.871
296 H GLU 108 H GLU 108 -4.062 9.708 2.862
297 HA GLU 108 HA GLU 108 -5.096 11.635 2.326
298 1HB GLU 108 2HB GLU 108 -2.219 12.486 2.076
299 2HB GLU 108 1HB GLU 108 -3.576 13.605 2.113
300 1HG GLU 108 2HG GLU 108 -4.215 12.699 4.321
301 2HG GLU 108 1HG GLU 108 -2.773 11.689 4.291
302 H ASP 109 H ASP 109 -6.043 10.742 0.406
303 HA ASP 109 HA ASP 109 -5.777 12.632 -1.710
304 1HB ASP 109 2HB ASP 109 -4.018 10.877 -2.296
305 2HB ASP 109 1HB ASP 109 -5.350 9.753 -2.517
Start of MODEL 7
1 HA PRO 5 HA PRO 5 -0.418 -10.906 -3.108
2 1HB PRO 5 2HB PRO 5 -2.395 -12.555 -4.050
3 2HB PRO 5 1HB PRO 5 -0.681 -12.791 -4.404
4 1HG PRO 5 2HG PRO 5 -2.403 -14.150 -2.372
5 2HG PRO 5 1HG PRO 5 -1.155 -14.839 -3.428
6 1HD PRO 5 2HD PRO 5 -0.701 -14.295 -0.820
7 2HD PRO 5 1HD PRO 5 0.567 -14.144 -2.053
8 H LEU 6 H LEU 6 -2.109 -9.355 -3.300
9 HA LEU 6 HA LEU 6 -3.624 -9.302 -0.826
10 1HB LEU 6 2HB LEU 6 -4.075 -6.907 -1.316
11 2HB LEU 6 1HB LEU 6 -2.391 -7.304 -1.125
12 HG LEU 6 HG LEU 6 -2.774 -5.580 -2.840
13 1HD1 LEU 6 1HD1 LEU 6 -1.712 -8.173 -3.955
14 2HD1 LEU 6 2HD1 LEU 6 -0.809 -6.974 -3.029
15 3HD1 LEU 6 3HD1 LEU 6 -1.431 -6.570 -4.628
16 1HD2 LEU 6 1HD2 LEU 6 -4.247 -7.730 -4.359
17 2HD2 LEU 6 2HD2 LEU 6 -3.783 -6.151 -4.988
18 3HD2 LEU 6 3HD2 LEU 6 -4.943 -6.265 -3.667
19 HA PRO 7 HA PRO 7 -7.553 -9.765 -2.845
20 1HB PRO 7 2HB PRO 7 -9.056 -9.228 -0.622
21 2HB PRO 7 1HB PRO 7 -8.231 -10.767 -0.874
22 1HG PRO 7 2HG PRO 7 -7.641 -8.675 1.064
23 2HG PRO 7 1HG PRO 7 -7.008 -10.323 0.971
24 1HD PRO 7 2HD PRO 7 -5.775 -7.833 0.101
25 2HD PRO 7 1HD PRO 7 -5.041 -9.438 0.266
26 HA PRO 8 HA PRO 8 -7.162 -5.495 -3.296
27 1HB PRO 8 2HB PRO 8 -8.002 -5.259 -5.894
28 2HB PRO 8 1HB PRO 8 -6.432 -5.880 -5.394
29 1HG PRO 8 2HG PRO 8 -8.654 -7.311 -6.585
30 2HG PRO 8 1HG PRO 8 -7.010 -7.881 -6.273
31 1HD PRO 8 2HD PRO 8 -9.444 -8.366 -4.740
32 2HD PRO 8 1HD PRO 8 -7.859 -9.155 -4.604
33 H GLY 9 H GLY 9 -9.176 -5.234 -1.762
34 1HA GLY 9 2HA GLY 9 -10.372 -2.955 -3.143
35 2HA GLY 9 1HA GLY 9 -10.320 -3.218 -1.387
36 H TRP 10 H TRP 10 -7.591 -4.225 -1.823
37 HA TRP 10 HA TRP 10 -6.090 -1.795 -1.372
38 1HB TRP 10 2HB TRP 10 -5.216 -4.696 -1.291
39 2HB TRP 10 1HB TRP 10 -4.324 -3.322 -0.659
40 HD1 TRP 10 HD1 TRP 10 -7.521 -5.371 0.084
41 HE1 TRP 10 HE1 TRP 10 -8.015 -5.153 2.602
42 HE3 TRP 10 HE3 TRP 10 -3.914 -1.990 1.311
43 HZ2 TRP 10 HZ2 TRP 10 -6.978 -3.750 4.819
44 HZ3 TRP 10 HZ3 TRP 10 -3.719 -1.273 3.642
45 HH2 TRP 10 HH2 TRP 10 -5.209 -2.136 5.365
46 H GLU 11 H GLU 11 -4.198 -1.294 -2.529
47 HA GLU 11 HA GLU 11 -3.777 -2.703 -5.052
48 1HB GLU 11 2HB GLU 11 -3.528 -0.480 -6.168
49 2HB GLU 11 1HB GLU 11 -5.167 -0.814 -5.616
50 1HG GLU 11 2HG GLU 11 -4.374 0.410 -3.475
51 2HG GLU 11 1HG GLU 11 -3.167 1.105 -4.557
52 H LYS 12 H LYS 12 -1.654 -2.639 -5.779
53 HA LYS 12 HA LYS 12 0.245 -2.272 -3.619
54 1HB LYS 12 2HB LYS 12 0.078 -4.369 -4.954
55 2HB LYS 12 1HB LYS 12 0.522 -3.462 -6.392
56 1HG LYS 12 2HG LYS 12 2.491 -4.478 -5.707
57 2HG LYS 12 1HG LYS 12 2.593 -2.812 -5.131
58 1HD LYS 12 2HD LYS 12 2.056 -3.427 -2.916
59 2HD LYS 12 1HD LYS 12 1.581 -5.056 -3.412
60 1HE LYS 12 2HE LYS 12 4.377 -3.914 -3.489
61 2HE LYS 12 1HE LYS 12 3.768 -5.080 -2.318
62 1HZ LYS 12 1HZ LYS 12 4.035 -5.535 -5.246
63 2HZ LYS 12 2HZ LYS 12 3.440 -6.660 -4.126
64 3HZ LYS 12 3HZ LYS 12 5.059 -6.156 -4.046
65 H ARG 13 H ARG 13 0.756 -0.089 -3.517
66 HA ARG 13 HA ARG 13 1.631 1.167 -6.030
67 1HB ARG 13 2HB ARG 13 0.156 2.449 -3.735
68 2HB ARG 13 1HB ARG 13 0.861 3.337 -5.079
69 1HG ARG 13 2HG ARG 13 -0.611 2.284 -6.635
70 2HG ARG 13 1HG ARG 13 -1.232 1.202 -5.386
71 1HD ARG 13 2HD ARG 13 -2.825 2.948 -5.739
72 2HD ARG 13 1HD ARG 13 -2.077 3.182 -4.163
73 HE ARG 13 HE ARG 13 -0.606 4.848 -5.482
74 1HH1 ARG 13 1HH1 ARG 13 -3.966 4.140 -6.126
75 2HH1 ARG 13 2HH1 ARG 13 -4.342 5.755 -6.681
76 1HH2 ARG 13 1HH2 ARG 13 -1.098 7.002 -6.176
77 2HH2 ARG 13 2HH2 ARG 13 -2.718 7.380 -6.671
78 H THR 14 H THR 14 3.349 2.467 -6.040
79 HA THR 14 HA THR 14 5.181 2.308 -3.781
80 HB THR 14 HB THR 14 6.609 3.590 -5.661
81 HG1 THR 14 HG1 THR 14 5.991 3.012 -7.706
82 1HG2 THR 14 1HG2 THR 14 6.126 0.617 -5.829
83 2HG2 THR 14 2HG2 THR 14 7.108 1.392 -4.583
84 3HG2 THR 14 3HG2 THR 14 7.593 1.495 -6.275
85 H ASP 15 H ASP 15 6.070 4.140 -2.796
86 HA ASP 15 HA ASP 15 4.884 6.718 -3.495
87 1HB ASP 15 2HB ASP 15 6.099 7.672 -1.602
88 2HB ASP 15 1HB ASP 15 5.171 6.279 -1.066
89 H SER 16 H SER 16 6.752 8.509 -3.920
90 HA SER 16 HA SER 16 6.466 8.057 -6.481
91 1HB SER 16 2HB SER 16 8.424 9.629 -6.907
92 2HB SER 16 1HB SER 16 7.176 10.195 -5.794
93 HG SER 16 HG SER 16 9.541 10.350 -5.191
94 H ASN 17 H ASN 17 9.713 7.188 -5.051
95 HA ASN 17 HA ASN 17 10.251 6.047 -7.672
96 1HB ASN 17 2HB ASN 17 12.608 5.726 -6.691
97 2HB ASN 17 1HB ASN 17 12.062 7.349 -7.089
98 1HD2 ASN 17 1HD2 ASN 17 13.421 8.396 -5.705
99 2HD2 ASN 17 2HD2 ASN 17 13.264 8.302 -3.980
100 H GLY 18 H GLY 18 11.144 4.850 -4.433
101 1HA GLY 18 2HA GLY 18 11.444 2.239 -5.695
102 2HA GLY 18 1HA GLY 18 12.182 2.743 -4.190
103 H ARG 19 H ARG 19 9.651 3.596 -2.965
104 HA ARG 19 HA ARG 19 9.541 0.921 -1.813
105 1HB ARG 19 2HB ARG 19 10.250 2.703 -0.387
106 2HB ARG 19 1HB ARG 19 8.842 3.649 -0.815
107 1HG ARG 19 2HG ARG 19 7.404 2.136 0.355
108 2HG ARG 19 1HG ARG 19 8.793 1.135 0.799
109 1HD ARG 19 2HD ARG 19 7.979 2.853 2.496
110 2HD ARG 19 1HD ARG 19 9.706 2.817 2.167
111 HE ARG 19 HE ARG 19 8.199 4.679 0.545
112 1HH1 ARG 19 1HH1 ARG 19 9.898 4.288 3.602
113 2HH1 ARG 19 2HH1 ARG 19 10.238 5.979 3.762
114 1HH2 ARG 19 1HH2 ARG 19 8.702 6.873 0.731
115 2HH2 ARG 19 2HH2 ARG 19 9.541 7.456 2.149
116 H VAL 20 H VAL 20 7.818 -0.292 -1.627
117 HA VAL 20 HA VAL 20 5.287 0.774 -2.647
118 HB VAL 20 HB VAL 20 6.379 -0.909 -4.122
119 1HG1 VAL 20 1HG1 VAL 20 6.317 -3.272 -3.461
120 2HG1 VAL 20 2HG1 VAL 20 5.822 -2.792 -1.839
121 3HG1 VAL 20 3HG1 VAL 20 7.407 -2.320 -2.450
122 1HG2 VAL 20 1HG2 VAL 20 4.352 -2.216 -4.513
123 2HG2 VAL 20 2HG2 VAL 20 3.975 -0.519 -4.197
124 3HG2 VAL 20 3HG2 VAL 20 3.732 -1.727 -2.934
125 H TYR 21 H TYR 21 3.397 0.159 -1.677
126 HA TYR 21 HA TYR 21 3.430 -1.269 0.815
127 1HB TYR 21 2HB TYR 21 2.548 0.696 2.092
128 2HB TYR 21 1HB TYR 21 4.229 0.835 1.593
129 HD1 TYR 21 HD2 TYR 21 0.782 1.940 0.663
130 HD2 TYR 21 HD1 TYR 21 4.976 2.659 0.383
131 HE1 TYR 21 HE2 TYR 21 0.341 4.117 -0.394
132 HE2 TYR 21 HE1 TYR 21 4.537 4.831 -0.662
133 HH TYR 21 HH TYR 21 2.803 5.956 -1.903
134 H PHE 22 H PHE 22 1.287 -1.682 1.677
135 HA PHE 22 HA PHE 22 -0.563 -1.975 -0.567
136 1HB PHE 22 2HB PHE 22 -0.546 -3.167 2.222
137 2HB PHE 22 1HB PHE 22 -1.851 -3.418 1.075
138 HD1 PHE 22 HD1 PHE 22 1.609 -3.322 -0.108
139 HD2 PHE 22 HD2 PHE 22 -1.584 -5.813 1.207
140 HE1 PHE 22 HE1 PHE 22 2.801 -5.302 -0.949
141 HE2 PHE 22 HE2 PHE 22 -0.395 -7.788 0.369
142 HZ PHE 22 HZ PHE 22 1.803 -7.537 -0.711
143 H VAL 23 H VAL 23 -1.930 -0.411 -0.870
144 HA VAL 23 HA VAL 23 -2.895 1.134 1.437
145 HB VAL 23 HB VAL 23 -1.391 2.530 0.253
146 1HG1 VAL 23 1HG1 VAL 23 -2.778 1.706 -2.306
147 2HG1 VAL 23 2HG1 VAL 23 -1.184 1.172 -1.768
148 3HG1 VAL 23 3HG1 VAL 23 -1.452 2.868 -2.172
149 1HG2 VAL 23 1HG2 VAL 23 -3.463 3.655 0.838
150 2HG2 VAL 23 2HG2 VAL 23 -4.174 3.193 -0.708
151 3HG2 VAL 23 3HG2 VAL 23 -2.810 4.308 -0.664
152 H ASN 24 H ASN 24 -5.045 1.627 1.528
153 HA ASN 24 HA ASN 24 -6.750 0.810 -0.726
154 1HB ASN 24 2HB ASN 24 -6.757 -0.912 1.111
155 2HB ASN 24 1HB ASN 24 -7.376 0.322 2.199
156 1HD2 ASN 24 1HD2 ASN 24 -8.530 -2.217 1.358
157 2HD2 ASN 24 2HD2 ASN 24 -10.077 -1.833 0.689
158 H HIS 25 H HIS 25 -8.231 2.341 -1.269
159 HA HIS 25 HA HIS 25 -8.066 4.877 0.121
160 1HB HIS 25 2HB HIS 25 -9.707 4.110 -2.302
161 2HB HIS 25 1HB HIS 25 -9.476 5.745 -1.701
162 HD1 HIS 25 HD1 HIS 25 -7.139 6.861 -2.159
163 HD2 HIS 25 HD2 HIS 25 -7.617 3.059 -3.777
164 HE1 HIS 25 HE1 HIS 25 -5.233 6.564 -3.775
165 HE2 HIS 25 HE2 HIS 25 -5.560 4.260 -4.765
166 H ASN 26 H ASN 26 -10.208 2.187 0.059
167 HA ASN 26 HA ASN 26 -12.497 3.639 1.028
168 1HB ASN 26 2HB ASN 26 -11.941 0.662 1.014
169 2HB ASN 26 1HB ASN 26 -13.486 1.406 1.415
170 1HD2 ASN 26 1HD2 ASN 26 -14.700 2.406 -0.242
171 2HD2 ASN 26 2HD2 ASN 26 -14.405 2.033 -1.903
172 H THR 27 H THR 27 -9.786 1.941 2.410
173 HA THR 27 HA THR 27 -10.795 2.287 5.116
174 HB THR 27 HB THR 27 -8.726 1.262 5.844
175 HG1 THR 27 HG1 THR 27 -7.091 0.845 4.474
176 1HG2 THR 27 1HG2 THR 27 -9.062 -0.961 4.879
177 2HG2 THR 27 2HG2 THR 27 -10.005 -0.256 3.568
178 3HG2 THR 27 3HG2 THR 27 -10.605 -0.180 5.224
179 H ARG 28 H ARG 28 -8.663 3.778 2.840
180 HA ARG 28 HA ARG 28 -7.467 5.682 2.782
181 1HB ARG 28 2HB ARG 28 -9.015 6.405 5.276
182 2HB ARG 28 1HB ARG 28 -8.008 7.513 4.352
183 1HG ARG 28 2HG ARG 28 -9.489 6.962 2.366
184 2HG ARG 28 1HG ARG 28 -10.585 6.212 3.524
185 1HD ARG 28 2HD ARG 28 -9.688 9.085 3.463
186 2HD ARG 28 1HD ARG 28 -11.298 8.465 3.106
187 HE ARG 28 HE ARG 28 -10.101 8.197 5.785
188 1HH1 ARG 28 1HH1 ARG 28 -12.726 9.202 3.687
189 2HH1 ARG 28 2HH1 ARG 28 -13.775 9.623 5.011
190 1HH2 ARG 28 1HH2 ARG 28 -11.487 8.755 7.512
191 2HH2 ARG 28 2HH2 ARG 28 -13.076 9.370 7.170
192 H ILE 29 H ILE 29 -6.428 3.357 4.023
193 HA ILE 29 HA ILE 29 -4.487 4.596 5.866
194 HB ILE 29 HB ILE 29 -5.803 1.888 6.191
195 1HG1 ILE 29 2HG1 ILE 29 -5.722 4.316 7.995
196 2HG1 ILE 29 1HG1 ILE 29 -7.108 3.790 7.046
197 1HG2 ILE 29 1HG2 ILE 29 -3.465 3.062 7.689
198 2HG2 ILE 29 2HG2 ILE 29 -3.470 1.603 6.693
199 3HG2 ILE 29 3HG2 ILE 29 -4.372 1.639 8.205
200 1HD1 ILE 29 1HD1 ILE 29 -7.340 3.170 9.380
201 2HD1 ILE 29 2HD1 ILE 29 -5.828 2.264 9.304
202 3HD1 ILE 29 3HD1 ILE 29 -7.223 1.735 8.359
203 H THR 30 H THR 30 -2.409 4.116 5.501
204 HA THR 30 HA THR 30 -1.758 2.274 3.327
205 HB THR 30 HB THR 30 0.561 3.412 3.637
206 HG1 THR 30 HG1 THR 30 0.528 5.362 4.729
207 1HG2 THR 30 1HG2 THR 30 -0.110 5.312 2.238
208 2HG2 THR 30 2HG2 THR 30 -1.800 5.021 2.652
209 3HG2 THR 30 3HG2 THR 30 -0.900 3.827 1.716
210 H GLN 31 H GLN 31 -1.438 0.232 4.103
211 HA GLN 31 HA GLN 31 -0.048 -0.018 6.687
212 1HB GLN 31 2HB GLN 31 -2.044 -1.878 5.410
213 2HB GLN 31 1HB GLN 31 -1.134 -2.261 6.859
214 1HG GLN 31 2HG GLN 31 -2.145 -0.222 7.911
215 2HG GLN 31 1HG GLN 31 -3.193 -0.112 6.498
216 1HE2 GLN 31 1HE2 GLN 31 -2.387 -1.985 9.340
217 2HE2 GLN 31 2HE2 GLN 31 -3.850 -2.904 9.380
218 H TRP 32 H TRP 32 1.501 -1.580 6.982
219 HA TRP 32 HA TRP 32 2.841 -2.478 4.545
220 1HB TRP 32 2HB TRP 32 3.799 -2.541 7.420
221 2HB TRP 32 1HB TRP 32 4.765 -2.911 5.998
222 HD1 TRP 32 HD1 TRP 32 3.631 -0.055 8.140
223 HE1 TRP 32 HE1 TRP 32 4.578 2.153 7.223
224 HE3 TRP 32 HE3 TRP 32 5.400 -1.746 3.646
225 HZ2 TRP 32 HZ2 TRP 32 5.904 3.059 4.898
226 HZ3 TRP 32 HZ3 TRP 32 6.498 -0.145 2.137
227 HH2 TRP 32 HH2 TRP 32 6.744 2.208 2.752
228 H GLU 33 H GLU 33 0.469 -3.613 6.322
229 HA GLU 33 HA GLU 33 1.385 -6.404 6.242
230 1HB GLU 33 2HB GLU 33 -0.517 -5.164 8.242
231 2HB GLU 33 1HB GLU 33 -0.073 -6.862 8.163
232 1HG GLU 33 2HG GLU 33 1.818 -4.596 8.731
233 2HG GLU 33 1HG GLU 33 1.091 -5.653 9.939
234 H ASP 34 H ASP 34 -0.028 -7.863 5.389
235 HA ASP 34 HA ASP 34 -2.352 -6.744 4.014
236 1HB ASP 34 2HB ASP 34 -1.054 -7.738 2.389
237 2HB ASP 34 1HB ASP 34 -0.467 -8.994 3.470
238 HA PRO 35 HA PRO 35 -5.380 -8.237 6.897
239 1HB PRO 35 2HB PRO 35 -6.609 -8.876 4.238
240 2HB PRO 35 1HB PRO 35 -7.352 -8.164 5.676
241 1HG PRO 35 2HG PRO 35 -6.527 -6.669 3.594
242 2HG PRO 35 1HG PRO 35 -6.481 -6.091 5.263
243 1HD PRO 35 2HD PRO 35 -4.272 -6.761 3.480
244 2HD PRO 35 1HD PRO 35 -4.236 -5.888 5.018
245 1H GLU 101 1H GLU 101 10.333 1.529 13.084
246 2H GLU 101 2H GLU 101 9.933 1.735 11.452
247 3H GLU 101 3H GLU 101 10.019 3.081 12.477
248 HA GLU 101 HA GLU 101 12.385 2.709 12.785
249 1HB GLU 101 2HB GLU 101 12.163 0.221 12.228
250 2HB GLU 101 1HB GLU 101 12.143 0.710 10.538
251 1HG GLU 101 2HG GLU 101 14.367 0.050 11.156
252 2HG GLU 101 1HG GLU 101 14.331 1.787 10.846
253 H GLU 102 H GLU 102 11.633 1.893 9.415
254 HA GLU 102 HA GLU 102 12.284 4.574 8.552
255 1HB GLU 102 2HB GLU 102 11.088 2.252 7.006
256 2HB GLU 102 1HB GLU 102 11.734 3.729 6.307
257 1HG GLU 102 2HG GLU 102 13.354 1.752 7.893
258 2HG GLU 102 1HG GLU 102 13.243 1.768 6.134
259 HA PRO 103 HA PRO 103 8.150 5.930 9.128
260 1HB PRO 103 2HB PRO 103 7.983 8.037 7.457
261 2HB PRO 103 1HB PRO 103 8.988 8.059 8.908
262 1HG PRO 103 2HG PRO 103 9.782 7.653 6.059
263 2HG PRO 103 1HG PRO 103 10.609 8.559 7.336
264 1HD PRO 103 2HD PRO 103 11.300 6.021 6.531
265 2HD PRO 103 1HD PRO 103 11.665 6.703 8.127
266 HA PRO 104 HA PRO 104 5.549 4.586 5.685
267 1HB PRO 104 2HB PRO 104 3.182 5.194 6.825
268 2HB PRO 104 1HB PRO 104 4.098 3.752 7.278
269 1HG PRO 104 2HG PRO 104 3.860 6.366 8.693
270 2HG PRO 104 1HG PRO 104 3.913 4.727 9.362
271 1HD PRO 104 2HD PRO 104 6.065 6.442 9.286
272 2HD PRO 104 1HD PRO 104 6.191 4.674 9.367
273 HA PRO 105 HA PRO 105 4.608 8.706 4.080
274 1HB PRO 105 2HB PRO 105 3.045 7.455 1.979
275 2HB PRO 105 1HB PRO 105 4.597 8.281 1.845
276 1HG PRO 105 2HG PRO 105 4.283 5.600 1.464
277 2HG PRO 105 1HG PRO 105 5.791 6.345 2.025
278 1HD PRO 105 2HD PRO 105 3.670 4.941 3.598
279 2HD PRO 105 1HD PRO 105 5.438 4.869 3.770
280 HA PRO 106 HA PRO 106 0.462 9.026 5.676
281 1HB PRO 106 2HB PRO 106 0.203 11.671 4.513
282 2HB PRO 106 1HB PRO 106 0.432 11.232 6.207
283 1HG PRO 106 2HG PRO 106 2.324 12.504 4.711
284 2HG PRO 106 1HG PRO 106 2.710 11.455 6.085
285 1HD PRO 106 2HD PRO 106 2.805 10.858 3.151
286 2HD PRO 106 1HD PRO 106 3.936 10.382 4.439
287 H TYR 107 H TYR 107 -1.651 8.858 4.979
288 HA TYR 107 HA TYR 107 -2.039 8.353 2.181
289 1HB TYR 107 2HB TYR 107 -3.179 6.939 3.808
290 2HB TYR 107 1HB TYR 107 -4.023 8.339 4.470
291 HD1 TYR 107 HD2 TYR 107 -3.715 6.147 1.516
292 HD2 TYR 107 HD1 TYR 107 -5.965 9.215 3.415
293 HE1 TYR 107 HE2 TYR 107 -5.513 5.835 -0.132
294 HE2 TYR 107 HE1 TYR 107 -7.769 8.914 1.781
295 HH TYR 107 HH TYR 107 -7.886 8.036 -0.664
296 H GLU 108 H GLU 108 -2.179 10.005 0.827
297 HA GLU 108 HA GLU 108 -4.138 12.095 1.394
298 1HB GLU 108 2HB GLU 108 -1.325 12.674 0.432
299 2HB GLU 108 1HB GLU 108 -2.608 13.861 0.622
300 1HG GLU 108 2HG GLU 108 -2.647 13.393 3.037
301 2HG GLU 108 1HG GLU 108 -1.308 12.268 2.819
302 H ASP 109 H ASP 109 -5.506 12.169 -0.242
303 HA ASP 109 HA ASP 109 -4.578 11.441 -2.942
304 1HB ASP 109 2HB ASP 109 -7.153 11.069 -1.519
305 2HB ASP 109 1HB ASP 109 -7.279 11.544 -3.206
Start of MODEL 8
1 HA PRO 5 HA PRO 5 0.326 -10.680 -3.385
2 1HB PRO 5 2HB PRO 5 -0.579 -12.816 -1.712
3 2HB PRO 5 1HB PRO 5 0.140 -12.929 -3.317
4 1HG PRO 5 2HG PRO 5 1.319 -13.831 -0.975
5 2HG PRO 5 1HG PRO 5 2.179 -13.478 -2.485
6 1HD PRO 5 2HD PRO 5 1.921 -11.823 -0.015
7 2HD PRO 5 1HD PRO 5 3.300 -11.998 -1.121
8 H LEU 6 H LEU 6 -0.826 -8.842 -2.813
9 HA LEU 6 HA LEU 6 -2.074 -8.796 -0.194
10 1HB LEU 6 2HB LEU 6 -2.841 -6.516 -0.746
11 2HB LEU 6 1HB LEU 6 -1.108 -6.691 -0.828
12 HG LEU 6 HG LEU 6 -1.884 -5.179 -2.563
13 1HD1 LEU 6 1HD1 LEU 6 0.039 -6.513 -3.135
14 2HD1 LEU 6 2HD1 LEU 6 -0.965 -6.251 -4.563
15 3HD1 LEU 6 3HD1 LEU 6 -0.996 -7.809 -3.734
16 1HD2 LEU 6 1HD2 LEU 6 -4.163 -5.992 -2.801
17 2HD2 LEU 6 2HD2 LEU 6 -3.573 -7.448 -3.603
18 3HD2 LEU 6 3HD2 LEU 6 -3.353 -5.870 -4.361
19 HA PRO 7 HA PRO 7 -6.030 -10.030 -1.832
20 1HB PRO 7 2HB PRO 7 -7.524 -9.596 0.340
21 2HB PRO 7 1HB PRO 7 -6.267 -10.839 0.361
22 1HG PRO 7 2HG PRO 7 -6.282 -8.138 1.599
23 2HG PRO 7 1HG PRO 7 -5.497 -9.623 2.152
24 1HD PRO 7 2HD PRO 7 -4.291 -7.481 0.739
25 2HD PRO 7 1HD PRO 7 -3.562 -9.054 1.105
26 HA PRO 8 HA PRO 8 -6.633 -5.832 -2.786
27 1HB PRO 8 2HB PRO 8 -7.673 -5.995 -5.257
28 2HB PRO 8 1HB PRO 8 -6.015 -6.469 -4.891
29 1HG PRO 8 2HG PRO 8 -8.382 -8.163 -5.452
30 2HG PRO 8 1HG PRO 8 -6.665 -8.489 -5.744
31 1HD PRO 8 2HD PRO 8 -8.243 -9.422 -3.569
32 2HD PRO 8 1HD PRO 8 -6.488 -9.593 -3.776
33 H GLY 9 H GLY 9 -8.572 -5.879 -1.003
34 1HA GLY 9 2HA GLY 9 -10.262 -3.989 -2.453
35 2HA GLY 9 1HA GLY 9 -10.025 -4.065 -0.693
36 H TRP 10 H TRP 10 -7.212 -4.630 -1.318
37 HA TRP 10 HA TRP 10 -6.134 -1.950 -1.126
38 1HB TRP 10 2HB TRP 10 -4.790 -4.661 -0.919
39 2HB TRP 10 1HB TRP 10 -4.108 -3.121 -0.419
40 HD1 TRP 10 HD1 TRP 10 -7.016 -5.478 0.564
41 HE1 TRP 10 HE1 TRP 10 -7.391 -5.277 3.101
42 HE3 TRP 10 HE3 TRP 10 -3.632 -1.789 1.574
43 HZ2 TRP 10 HZ2 TRP 10 -6.369 -3.749 5.249
44 HZ3 TRP 10 HZ3 TRP 10 -3.387 -1.028 3.891
45 HH2 TRP 10 HH2 TRP 10 -4.724 -1.994 5.689
46 H GLU 11 H GLU 11 -4.449 -1.232 -2.526
47 HA GLU 11 HA GLU 11 -3.977 -2.882 -4.896
48 1HB GLU 11 2HB GLU 11 -3.993 -0.930 -6.330
49 2HB GLU 11 1HB GLU 11 -5.538 -1.036 -5.490
50 1HG GLU 11 2HG GLU 11 -5.052 0.746 -4.101
51 2HG GLU 11 1HG GLU 11 -3.315 0.602 -4.403
52 H LYS 12 H LYS 12 -1.874 -2.587 -5.798
53 HA LYS 12 HA LYS 12 0.010 -1.916 -3.720
54 1HB LYS 12 2HB LYS 12 0.150 -4.066 -4.981
55 2HB LYS 12 1HB LYS 12 0.433 -3.156 -6.457
56 1HG LYS 12 2HG LYS 12 2.166 -2.858 -4.074
57 2HG LYS 12 1HG LYS 12 2.442 -4.159 -5.231
58 1HD LYS 12 2HD LYS 12 2.445 -1.193 -5.832
59 2HD LYS 12 1HD LYS 12 3.877 -2.217 -5.689
60 1HE LYS 12 2HE LYS 12 3.005 -3.580 -7.595
61 2HE LYS 12 1HE LYS 12 1.706 -2.401 -7.778
62 1HZ LYS 12 1HZ LYS 12 4.618 -1.860 -8.043
63 2HZ LYS 12 2HZ LYS 12 3.397 -0.690 -8.157
64 3HZ LYS 12 3HZ LYS 12 3.489 -1.924 -9.309
65 H ARG 13 H ARG 13 0.728 0.136 -3.637
66 HA ARG 13 HA ARG 13 1.485 1.398 -6.184
67 1HB ARG 13 2HB ARG 13 0.234 2.772 -3.797
68 2HB ARG 13 1HB ARG 13 0.958 3.620 -5.157
69 1HG ARG 13 2HG ARG 13 -0.679 2.734 -6.664
70 2HG ARG 13 1HG ARG 13 -1.324 1.675 -5.410
71 1HD ARG 13 2HD ARG 13 -2.822 3.508 -5.605
72 2HD ARG 13 1HD ARG 13 -1.925 3.738 -4.113
73 HE ARG 13 HE ARG 13 -0.790 5.132 -6.352
74 1HH1 ARG 13 1HH1 ARG 13 -3.133 5.250 -3.767
75 2HH1 ARG 13 2HH1 ARG 13 -3.243 6.989 -3.753
76 1HH2 ARG 13 1HH2 ARG 13 -0.973 7.420 -6.389
77 2HH2 ARG 13 2HH2 ARG 13 -2.066 8.210 -5.285
78 H THR 14 H THR 14 3.314 2.679 -6.142
79 HA THR 14 HA THR 14 5.128 2.210 -3.874
80 HB THR 14 HB THR 14 6.629 2.983 -6.162
81 HG1 THR 14 HG1 THR 14 4.438 1.374 -6.746
82 1HG2 THR 14 1HG2 THR 14 7.697 0.834 -5.911
83 2HG2 THR 14 2HG2 THR 14 6.329 0.225 -4.977
84 3HG2 THR 14 3HG2 THR 14 7.353 1.499 -4.314
85 H ASP 15 H ASP 15 6.406 4.007 -3.200
86 HA ASP 15 HA ASP 15 5.459 6.574 -4.224
87 1HB ASP 15 2HB ASP 15 6.718 7.654 -2.445
88 2HB ASP 15 1HB ASP 15 5.709 6.398 -1.761
89 H SER 16 H SER 16 7.404 8.142 -4.868
90 HA SER 16 HA SER 16 7.171 7.413 -7.367
91 1HB SER 16 2HB SER 16 9.678 8.766 -6.375
92 2HB SER 16 1HB SER 16 8.969 8.913 -7.984
93 HG SER 16 HG SER 16 7.856 10.496 -7.175
94 H ASN 17 H ASN 17 10.313 6.566 -5.741
95 HA ASN 17 HA ASN 17 10.844 4.966 -8.124
96 1HB ASN 17 2HB ASN 17 12.627 6.470 -7.338
97 2HB ASN 17 1HB ASN 17 12.691 5.590 -5.814
98 1HD2 ASN 17 1HD2 ASN 17 13.701 3.641 -5.721
99 2HD2 ASN 17 2HD2 ASN 17 14.639 2.981 -7.016
100 H GLY 18 H GLY 18 11.506 4.361 -4.678
101 1HA GLY 18 2HA GLY 18 11.660 1.543 -5.406
102 2HA GLY 18 1HA GLY 18 12.390 2.286 -4.009
103 H ARG 19 H ARG 19 9.807 3.501 -3.094
104 HA ARG 19 HA ARG 19 9.654 1.109 -1.427
105 1HB ARG 19 2HB ARG 19 10.295 3.361 -0.517
106 2HB ARG 19 1HB ARG 19 8.641 3.868 -0.816
107 1HG ARG 19 2HG ARG 19 7.883 2.022 0.684
108 2HG ARG 19 1HG ARG 19 9.577 1.771 1.115
109 1HD ARG 19 2HD ARG 19 8.121 4.394 1.396
110 2HD ARG 19 1HD ARG 19 8.304 3.227 2.699
111 HE ARG 19 HE ARG 19 10.669 3.664 2.677
112 1HH1 ARG 19 1HH1 ARG 19 8.790 5.778 0.615
113 2HH1 ARG 19 2HH1 ARG 19 9.939 7.089 0.699
114 1HH2 ARG 19 1HH2 ARG 19 12.193 5.409 2.798
115 2HH2 ARG 19 2HH2 ARG 19 11.840 6.887 1.946
116 H VAL 20 H VAL 20 8.050 -0.175 -1.454
117 HA VAL 20 HA VAL 20 5.506 0.633 -2.646
118 HB VAL 20 HB VAL 20 6.536 -1.329 -3.650
119 1HG1 VAL 20 1HG1 VAL 20 7.862 -2.125 -1.800
120 2HG1 VAL 20 2HG1 VAL 20 6.810 -3.417 -2.379
121 3HG1 VAL 20 3HG1 VAL 20 6.406 -2.549 -0.899
122 1HG2 VAL 20 1HG2 VAL 20 4.098 -2.042 -2.022
123 2HG2 VAL 20 2HG2 VAL 20 4.684 -2.931 -3.428
124 3HG2 VAL 20 3HG2 VAL 20 4.114 -1.272 -3.608
125 H TYR 21 H TYR 21 3.576 0.375 -1.615
126 HA TYR 21 HA TYR 21 3.479 -0.776 1.025
127 1HB TYR 21 2HB TYR 21 2.346 1.245 1.969
128 2HB TYR 21 1HB TYR 21 4.048 1.490 1.601
129 HD1 TYR 21 HD2 TYR 21 0.600 2.325 0.602
130 HD2 TYR 21 HD1 TYR 21 4.737 3.041 -0.128
131 HE1 TYR 21 HE2 TYR 21 0.023 4.291 -0.755
132 HE2 TYR 21 HE1 TYR 21 4.162 5.008 -1.485
133 HH TYR 21 HH TYR 21 1.076 6.396 -1.488
134 H PHE 22 H PHE 22 1.350 -1.315 1.692
135 HA PHE 22 HA PHE 22 -0.416 -1.685 -0.593
136 1HB PHE 22 2HB PHE 22 -0.546 -2.788 2.225
137 2HB PHE 22 1HB PHE 22 -1.683 -3.182 0.941
138 HD1 PHE 22 HD1 PHE 22 1.015 -2.971 -0.970
139 HD2 PHE 22 HD2 PHE 22 -0.345 -5.347 2.291
140 HE1 PHE 22 HE1 PHE 22 2.471 -4.810 -1.707
141 HE2 PHE 22 HE2 PHE 22 1.116 -7.187 1.558
142 HZ PHE 22 HZ PHE 22 2.523 -6.920 -0.442
143 H VAL 23 H VAL 23 -1.928 -0.273 -0.993
144 HA VAL 23 HA VAL 23 -2.840 1.471 1.182
145 HB VAL 23 HB VAL 23 -1.577 2.764 -0.325
146 1HG1 VAL 23 1HG1 VAL 23 -1.780 2.761 -2.698
147 2HG1 VAL 23 2HG1 VAL 23 -3.177 1.690 -2.642
148 3HG1 VAL 23 3HG1 VAL 23 -1.583 1.091 -2.171
149 1HG2 VAL 23 1HG2 VAL 23 -3.606 3.869 0.338
150 2HG2 VAL 23 2HG2 VAL 23 -4.499 3.118 -0.985
151 3HG2 VAL 23 3HG2 VAL 23 -3.233 4.297 -1.332
152 H ASN 24 H ASN 24 -4.922 1.540 1.649
153 HA ASN 24 HA ASN 24 -6.822 0.288 -0.225
154 1HB ASN 24 2HB ASN 24 -6.392 -1.007 1.870
155 2HB ASN 24 1HB ASN 24 -6.976 0.368 2.796
156 1HD2 ASN 24 1HD2 ASN 24 -7.927 -2.410 2.578
157 2HD2 ASN 24 2HD2 ASN 24 -9.595 -2.288 2.138
158 H HIS 25 H HIS 25 -8.233 1.710 -1.062
159 HA HIS 25 HA HIS 25 -8.342 4.396 0.007
160 1HB HIS 25 2HB HIS 25 -9.825 3.164 -2.324
161 2HB HIS 25 1HB HIS 25 -9.809 4.876 -1.919
162 HD1 HIS 25 HD1 HIS 25 -7.814 6.245 -2.731
163 HD2 HIS 25 HD2 HIS 25 -7.362 2.163 -3.328
164 HE1 HIS 25 HE1 HIS 25 -5.815 6.000 -4.230
165 HE2 HIS 25 HE2 HIS 25 -5.739 3.537 -4.785
166 H ASN 26 H ASN 26 -10.261 1.544 0.199
167 HA ASN 26 HA ASN 26 -12.779 2.690 0.727
168 1HB ASN 26 2HB ASN 26 -12.595 0.346 0.165
169 2HB ASN 26 1HB ASN 26 -11.579 0.044 1.568
170 1HD2 ASN 26 1HD2 ASN 26 -14.816 0.623 0.439
171 2HD2 ASN 26 2HD2 ASN 26 -15.612 0.167 1.908
172 H THR 27 H THR 27 -10.212 1.582 2.920
173 HA THR 27 HA THR 27 -11.552 2.821 5.172
174 HB THR 27 HB THR 27 -10.566 0.685 5.580
175 HG1 THR 27 HG1 THR 27 -9.754 2.946 6.913
176 1HG2 THR 27 1HG2 THR 27 -7.907 1.926 4.853
177 2HG2 THR 27 2HG2 THR 27 -8.777 0.724 3.901
178 3HG2 THR 27 3HG2 THR 27 -8.147 0.297 5.491
179 H ARG 28 H ARG 28 -9.166 3.608 2.869
180 HA ARG 28 HA ARG 28 -7.798 5.370 2.521
181 1HB ARG 28 2HB ARG 28 -9.304 6.644 4.813
182 2HB ARG 28 1HB ARG 28 -8.160 7.482 3.779
183 1HG ARG 28 2HG ARG 28 -9.679 6.787 1.841
184 2HG ARG 28 1HG ARG 28 -10.869 6.400 3.084
185 1HD ARG 28 2HD ARG 28 -11.365 8.596 2.444
186 2HD ARG 28 1HD ARG 28 -10.478 8.762 3.958
187 HE ARG 28 HE ARG 28 -9.245 9.152 1.303
188 1HH1 ARG 28 1HH1 ARG 28 -9.668 10.110 4.652
189 2HH1 ARG 28 2HH1 ARG 28 -8.553 11.435 4.522
190 1HH2 ARG 28 1HH2 ARG 28 -7.803 10.890 1.162
191 2HH2 ARG 28 2HH2 ARG 28 -7.481 11.860 2.572
192 H ILE 29 H ILE 29 -6.825 3.260 4.000
193 HA ILE 29 HA ILE 29 -4.928 4.630 5.793
194 HB ILE 29 HB ILE 29 -6.107 1.872 6.170
195 1HG1 ILE 29 2HG1 ILE 29 -7.567 3.700 6.919
196 2HG1 ILE 29 1HG1 ILE 29 -6.966 2.766 8.282
197 1HG2 ILE 29 1HG2 ILE 29 -3.900 3.248 7.694
198 2HG2 ILE 29 2HG2 ILE 29 -3.780 1.755 6.754
199 3HG2 ILE 29 3HG2 ILE 29 -4.733 1.797 8.240
200 1HD1 ILE 29 1HD1 ILE 29 -5.923 5.445 7.381
201 2HD1 ILE 29 2HD1 ILE 29 -5.326 4.509 8.753
202 3HD1 ILE 29 3HD1 ILE 29 -6.972 5.142 8.767
203 H THR 30 H THR 30 -2.852 4.360 5.268
204 HA THR 30 HA THR 30 -2.134 2.372 3.252
205 HB THR 30 HB THR 30 0.147 3.635 3.517
206 HG1 THR 30 HG1 THR 30 0.080 5.349 4.766
207 1HG2 THR 30 1HG2 THR 30 -2.257 4.973 2.281
208 2HG2 THR 30 2HG2 THR 30 -1.256 3.739 1.514
209 3HG2 THR 30 3HG2 THR 30 -0.574 5.322 1.894
210 H GLN 31 H GLN 31 -1.401 0.447 3.935
211 HA GLN 31 HA GLN 31 0.054 0.362 6.493
212 1HB GLN 31 2HB GLN 31 -1.941 -1.670 5.484
213 2HB GLN 31 1HB GLN 31 -0.954 -1.850 6.925
214 1HG GLN 31 2HG GLN 31 -2.026 0.141 7.885
215 2HG GLN 31 1HG GLN 31 -3.065 0.236 6.463
216 1HE2 GLN 31 1HE2 GLN 31 -4.924 -0.022 7.673
217 2HE2 GLN 31 2HE2 GLN 31 -5.377 -1.534 8.383
218 H TRP 32 H TRP 32 1.751 -1.077 6.665
219 HA TRP 32 HA TRP 32 3.023 -1.838 4.198
220 1HB TRP 32 2HB TRP 32 3.793 -2.346 7.083
221 2HB TRP 32 1HB TRP 32 4.792 -2.774 5.702
222 HD1 TRP 32 HD1 TRP 32 3.431 0.332 7.527
223 HE1 TRP 32 HE1 TRP 32 5.032 2.288 7.062
224 HE3 TRP 32 HE3 TRP 32 6.521 -1.935 4.143
225 HZ2 TRP 32 HZ2 TRP 32 7.300 2.813 5.464
226 HZ3 TRP 32 HZ3 TRP 32 8.386 -0.630 3.191
227 HH2 TRP 32 HH2 TRP 32 8.764 1.693 3.846
228 H GLU 33 H GLU 33 1.222 -3.426 6.732
229 HA GLU 33 HA GLU 33 2.126 -6.058 5.868
230 1HB GLU 33 2HB GLU 33 2.127 -5.320 8.286
231 2HB GLU 33 1HB GLU 33 0.373 -5.359 8.220
232 1HG GLU 33 2HG GLU 33 0.326 -7.691 7.940
233 2HG GLU 33 1HG GLU 33 2.048 -7.755 7.557
234 H ASP 34 H ASP 34 0.860 -7.558 4.970
235 HA ASP 34 HA ASP 34 -1.726 -6.709 3.960
236 1HB ASP 34 2HB ASP 34 -1.528 -8.956 2.706
237 2HB ASP 34 1HB ASP 34 -0.408 -7.668 2.274
238 HA PRO 35 HA PRO 35 -3.759 -8.887 7.316
239 1HB PRO 35 2HB PRO 35 -6.296 -8.323 6.291
240 2HB PRO 35 1HB PRO 35 -5.418 -7.369 7.485
241 1HG PRO 35 2HG PRO 35 -5.849 -6.849 4.623
242 2HG PRO 35 1HG PRO 35 -5.464 -5.727 5.929
243 1HD PRO 35 2HD PRO 35 -3.707 -6.580 3.969
244 2HD PRO 35 1HD PRO 35 -3.246 -5.852 5.517
245 1H GLU 101 1H GLU 101 13.033 0.081 8.274
246 2H GLU 101 2H GLU 101 12.010 0.609 9.518
247 3H GLU 101 3H GLU 101 13.276 -0.464 9.861
248 HA GLU 101 HA GLU 101 13.861 1.711 10.596
249 1HB GLU 101 2HB GLU 101 15.975 1.970 9.367
250 2HB GLU 101 1HB GLU 101 15.650 0.293 9.770
251 1HG GLU 101 2HG GLU 101 14.733 0.060 7.420
252 2HG GLU 101 1HG GLU 101 15.457 1.636 7.099
253 H GLU 102 H GLU 102 12.438 1.623 7.438
254 HA GLU 102 HA GLU 102 12.745 4.495 7.044
255 1HB GLU 102 2HB GLU 102 11.195 2.394 5.509
256 2HB GLU 102 1HB GLU 102 11.315 4.080 5.036
257 1HG GLU 102 2HG GLU 102 13.669 2.229 5.304
258 2HG GLU 102 1HG GLU 102 12.819 2.556 3.794
259 HA PRO 103 HA PRO 103 8.773 5.380 8.956
260 1HB PRO 103 2HB PRO 103 8.615 7.850 7.449
261 2HB PRO 103 1HB PRO 103 8.962 7.629 9.165
262 1HG PRO 103 2HG PRO 103 10.796 8.525 7.348
263 2HG PRO 103 1HG PRO 103 11.225 7.671 8.840
264 1HD PRO 103 2HD PRO 103 11.047 6.625 6.039
265 2HD PRO 103 1HD PRO 103 12.243 6.268 7.304
266 HA PRO 104 HA PRO 104 5.862 4.427 5.664
267 1HB PRO 104 2HB PRO 104 3.563 4.757 7.025
268 2HB PRO 104 1HB PRO 104 4.627 3.377 7.312
269 1HG PRO 104 2HG PRO 104 4.317 5.893 8.897
270 2HG PRO 104 1HG PRO 104 4.522 4.225 9.464
271 1HD PRO 104 2HD PRO 104 6.549 6.072 9.346
272 2HD PRO 104 1HD PRO 104 6.798 4.317 9.278
273 HA PRO 105 HA PRO 105 4.528 8.480 4.290
274 1HB PRO 105 2HB PRO 105 2.927 7.232 2.242
275 2HB PRO 105 1HB PRO 105 4.457 8.085 2.068
276 1HG PRO 105 2HG PRO 105 4.146 5.386 1.669
277 2HG PRO 105 1HG PRO 105 5.677 6.156 2.114
278 1HD PRO 105 2HD PRO 105 3.714 4.694 3.833
279 2HD PRO 105 1HD PRO 105 5.491 4.680 3.884
280 HA PRO 106 HA PRO 106 0.398 8.717 5.979
281 1HB PRO 106 2HB PRO 106 0.119 11.369 4.871
282 2HB PRO 106 1HB PRO 106 0.385 10.904 6.551
283 1HG PRO 106 2HG PRO 106 2.237 12.216 5.021
284 2HG PRO 106 1HG PRO 106 2.654 11.180 6.396
285 1HD PRO 106 2HD PRO 106 2.726 10.576 3.467
286 2HD PRO 106 1HD PRO 106 3.874 10.113 4.744
287 H TYR 107 H TYR 107 -1.733 8.546 5.243
288 HA TYR 107 HA TYR 107 -2.061 8.151 2.412
289 1HB TYR 107 2HB TYR 107 -3.279 6.734 4.073
290 2HB TYR 107 1HB TYR 107 -4.206 8.153 4.552
291 HD1 TYR 107 HD2 TYR 107 -5.631 9.303 2.780
292 HD2 TYR 107 HD1 TYR 107 -3.974 5.424 2.243
293 HE1 TYR 107 HE2 TYR 107 -7.250 8.867 0.988
294 HE2 TYR 107 HE1 TYR 107 -5.591 4.981 0.442
295 HH TYR 107 HH TYR 107 -7.285 7.337 -1.088
296 H GLU 108 H GLU 108 -2.262 9.795 1.087
297 HA GLU 108 HA GLU 108 -3.834 12.132 1.947
298 1HB GLU 108 2HB GLU 108 -1.401 12.535 1.445
299 2HB GLU 108 1HB GLU 108 -1.712 12.035 -0.210
300 1HG GLU 108 2HG GLU 108 -1.732 14.384 -0.226
301 2HG GLU 108 1HG GLU 108 -3.420 13.886 -0.329
302 H ASP 109 H ASP 109 -2.925 10.171 -0.872
303 HA ASP 109 HA ASP 109 -5.683 10.301 -1.838
304 1HB ASP 109 2HB ASP 109 -4.647 11.923 -3.217
305 2HB ASP 109 1HB ASP 109 -3.192 10.949 -3.413
Start of MODEL 9
1 HA PRO 5 HA PRO 5 -1.142 -11.655 -3.353
2 1HB PRO 5 2HB PRO 5 0.598 -11.473 -1.331
3 2HB PRO 5 1HB PRO 5 1.114 -12.007 -2.937
4 1HG PRO 5 2HG PRO 5 1.401 -9.317 -1.653
5 2HG PRO 5 1HG PRO 5 2.581 -10.235 -2.605
6 1HD PRO 5 2HD PRO 5 1.023 -8.198 -3.611
7 2HD PRO 5 1HD PRO 5 1.718 -9.505 -4.592
8 H LEU 6 H LEU 6 -2.715 -9.367 -3.251
9 HA LEU 6 HA LEU 6 -3.267 -9.211 -0.395
10 1HB LEU 6 2HB LEU 6 -3.935 -6.772 -0.676
11 2HB LEU 6 1HB LEU 6 -2.232 -7.134 -0.595
12 HG LEU 6 HG LEU 6 -2.885 -5.310 -2.193
13 1HD1 LEU 6 1HD1 LEU 6 -1.468 -7.686 -3.381
14 2HD1 LEU 6 2HD1 LEU 6 -0.743 -6.430 -2.381
15 3HD1 LEU 6 3HD1 LEU 6 -1.387 -6.025 -3.973
16 1HD2 LEU 6 1HD2 LEU 6 -3.987 -7.579 -3.837
17 2HD2 LEU 6 2HD2 LEU 6 -3.755 -5.916 -4.376
18 3HD2 LEU 6 3HD2 LEU 6 -4.920 -6.276 -3.101
19 HA PRO 7 HA PRO 7 -7.512 -9.515 -1.801
20 1HB PRO 7 2HB PRO 7 -8.716 -9.185 0.593
21 2HB PRO 7 1HB PRO 7 -7.840 -10.668 0.205
22 1HG PRO 7 2HG PRO 7 -7.087 -8.460 2.026
23 2HG PRO 7 1HG PRO 7 -6.563 -10.153 2.023
24 1HD PRO 7 2HD PRO 7 -5.168 -7.880 0.995
25 2HD PRO 7 1HD PRO 7 -4.653 -9.573 0.954
26 HA PRO 8 HA PRO 8 -7.020 -5.287 -2.129
27 1HB PRO 8 2HB PRO 8 -8.440 -4.930 -4.496
28 2HB PRO 8 1HB PRO 8 -6.783 -5.515 -4.346
29 1HG PRO 8 2HG PRO 8 -9.073 -6.972 -5.215
30 2HG PRO 8 1HG PRO 8 -7.428 -7.583 -4.981
31 1HD PRO 8 2HD PRO 8 -9.790 -7.804 -3.216
32 2HD PRO 8 1HD PRO 8 -8.345 -8.833 -3.303
33 H GLY 9 H GLY 9 -8.641 -4.869 -0.200
34 1HA GLY 9 2HA GLY 9 -9.912 -2.454 -1.253
35 2HA GLY 9 1HA GLY 9 -9.473 -2.772 0.436
36 H TRP 10 H TRP 10 -7.033 -3.953 -0.597
37 HA TRP 10 HA TRP 10 -5.190 -1.769 -0.399
38 1HB TRP 10 2HB TRP 10 -4.779 -4.746 -0.850
39 2HB TRP 10 1HB TRP 10 -3.584 -3.606 -0.246
40 HD1 TRP 10 HD1 TRP 10 -5.998 -6.103 0.890
41 HE1 TRP 10 HE1 TRP 10 -6.396 -5.934 3.424
42 HE3 TRP 10 HE3 TRP 10 -3.822 -1.601 1.713
43 HZ2 TRP 10 HZ2 TRP 10 -5.858 -4.112 5.504
44 HZ3 TRP 10 HZ3 TRP 10 -3.829 -0.704 3.964
45 HH2 TRP 10 HH2 TRP 10 -4.806 -1.929 5.845
46 H GLU 11 H GLU 11 -3.497 -1.449 -2.054
47 HA GLU 11 HA GLU 11 -3.811 -2.771 -4.551
48 1HB GLU 11 2HB GLU 11 -4.118 -0.680 -5.861
49 2HB GLU 11 1HB GLU 11 -5.527 -1.096 -4.892
50 1HG GLU 11 2HG GLU 11 -4.739 0.478 -3.183
51 2HG GLU 11 1HG GLU 11 -3.473 0.997 -4.296
52 H LYS 12 H LYS 12 -1.873 -2.457 -5.750
53 HA LYS 12 HA LYS 12 0.138 -1.995 -3.747
54 1HB LYS 12 2HB LYS 12 -0.012 -4.140 -4.975
55 2HB LYS 12 1HB LYS 12 0.318 -3.284 -6.479
56 1HG LYS 12 2HG LYS 12 2.116 -3.075 -4.160
57 2HG LYS 12 1HG LYS 12 2.238 -4.469 -5.243
58 1HD LYS 12 2HD LYS 12 2.476 -1.563 -6.058
59 2HD LYS 12 1HD LYS 12 3.842 -2.668 -5.825
60 1HE LYS 12 2HE LYS 12 2.714 -4.149 -7.584
61 2HE LYS 12 1HE LYS 12 1.708 -2.749 -7.945
62 1HZ LYS 12 1HZ LYS 12 3.574 -2.798 -9.436
63 2HZ LYS 12 2HZ LYS 12 4.662 -2.898 -8.148
64 3HZ LYS 12 3HZ LYS 12 3.769 -1.487 -8.376
65 H ARG 13 H ARG 13 0.686 0.111 -3.656
66 HA ARG 13 HA ARG 13 1.528 1.353 -6.189
67 1HB ARG 13 2HB ARG 13 0.314 2.738 -3.794
68 2HB ARG 13 1HB ARG 13 1.010 3.563 -5.175
69 1HG ARG 13 2HG ARG 13 -0.689 2.459 -6.619
70 2HG ARG 13 1HG ARG 13 -1.438 1.808 -5.159
71 1HD ARG 13 2HD ARG 13 -1.640 4.184 -4.338
72 2HD ARG 13 1HD ARG 13 -1.131 4.702 -5.947
73 HE ARG 13 HE ARG 13 -3.393 2.890 -5.903
74 1HH1 ARG 13 1HH1 ARG 13 -2.406 6.270 -5.813
75 2HH1 ARG 13 2HH1 ARG 13 -3.919 6.840 -6.437
76 1HH2 ARG 13 1HH2 ARG 13 -5.363 3.634 -6.663
77 2HH2 ARG 13 2HH2 ARG 13 -5.618 5.339 -6.931
78 H THR 14 H THR 14 3.474 2.251 -6.264
79 HA THR 14 HA THR 14 5.234 2.085 -3.957
80 HB THR 14 HB THR 14 6.593 3.347 -6.069
81 HG1 THR 14 HG1 THR 14 5.831 2.536 -7.896
82 1HG2 THR 14 1HG2 THR 14 7.502 1.613 -4.568
83 2HG2 THR 14 2HG2 THR 14 7.837 1.278 -6.266
84 3HG2 THR 14 3HG2 THR 14 6.555 0.397 -5.430
85 H ASP 15 H ASP 15 6.178 3.954 -2.990
86 HA ASP 15 HA ASP 15 4.994 6.484 -3.841
87 1HB ASP 15 2HB ASP 15 6.111 7.551 -1.968
88 2HB ASP 15 1HB ASP 15 5.248 6.138 -1.387
89 H SER 16 H SER 16 6.686 8.273 -4.326
90 HA SER 16 HA SER 16 6.745 7.725 -6.868
91 1HB SER 16 2HB SER 16 8.633 9.414 -7.147
92 2HB SER 16 1HB SER 16 7.216 9.926 -6.233
93 HG SER 16 HG SER 16 8.345 9.753 -4.364
94 H ASN 17 H ASN 17 9.808 7.031 -5.028
95 HA ASN 17 HA ASN 17 10.825 5.958 -7.546
96 1HB ASN 17 2HB ASN 17 12.285 7.460 -6.270
97 2HB ASN 17 1HB ASN 17 12.270 6.324 -4.924
98 1HD2 ASN 17 1HD2 ASN 17 14.490 6.066 -5.005
99 2HD2 ASN 17 2HD2 ASN 17 15.271 5.158 -6.258
100 H GLY 18 H GLY 18 11.249 4.771 -4.228
101 1HA GLY 18 2HA GLY 18 11.742 2.162 -5.416
102 2HA GLY 18 1HA GLY 18 12.238 2.684 -3.827
103 H ARG 19 H ARG 19 9.641 3.442 -2.849
104 HA ARG 19 HA ARG 19 9.494 0.715 -1.823
105 1HB ARG 19 2HB ARG 19 10.132 2.323 -0.241
106 2HB ARG 19 1HB ARG 19 8.846 3.418 -0.707
107 1HG ARG 19 2HG ARG 19 7.211 1.778 0.202
108 2HG ARG 19 1HG ARG 19 8.581 0.853 0.829
109 1HD ARG 19 2HD ARG 19 7.431 2.573 2.375
110 2HD ARG 19 1HD ARG 19 9.198 2.531 2.315
111 HE ARG 19 HE ARG 19 7.963 4.378 0.448
112 1HH1 ARG 19 1HH1 ARG 19 9.363 3.944 3.632
113 2HH1 ARG 19 2HH1 ARG 19 9.645 5.640 3.883
114 1HH2 ARG 19 1HH2 ARG 19 8.392 6.599 0.739
115 2HH2 ARG 19 2HH2 ARG 19 9.104 7.147 2.233
116 H VAL 20 H VAL 20 7.818 -0.560 -1.949
117 HA VAL 20 HA VAL 20 5.241 0.526 -2.775
118 HB VAL 20 HB VAL 20 5.910 -1.426 -4.034
119 1HG1 VAL 20 1HG1 VAL 20 6.055 -2.846 -1.380
120 2HG1 VAL 20 2HG1 VAL 20 7.410 -2.462 -2.441
121 3HG1 VAL 20 3HG1 VAL 20 6.184 -3.619 -2.962
122 1HG2 VAL 20 1HG2 VAL 20 3.954 -2.870 -3.649
123 2HG2 VAL 20 2HG2 VAL 20 3.516 -1.163 -3.587
124 3HG2 VAL 20 3HG2 VAL 20 3.681 -2.086 -2.095
125 H TYR 21 H TYR 21 3.451 0.363 -1.612
126 HA TYR 21 HA TYR 21 3.402 -1.014 0.910
127 1HB TYR 21 2HB TYR 21 2.450 0.993 2.073
128 2HB TYR 21 1HB TYR 21 4.153 1.139 1.658
129 HD1 TYR 21 HD2 TYR 21 0.731 2.227 0.719
130 HD2 TYR 21 HD1 TYR 21 4.914 2.838 0.198
131 HE1 TYR 21 HE2 TYR 21 0.275 4.338 -0.463
132 HE2 TYR 21 HE1 TYR 21 4.469 4.940 -0.973
133 HH TYR 21 HH TYR 21 2.697 6.024 -2.203
134 H PHE 22 H PHE 22 1.222 -1.393 1.666
135 HA PHE 22 HA PHE 22 -0.485 -1.708 -0.676
136 1HB PHE 22 2HB PHE 22 -0.629 -2.897 2.110
137 2HB PHE 22 1HB PHE 22 -1.865 -3.148 0.883
138 HD1 PHE 22 HD2 PHE 22 1.553 -2.953 -0.288
139 HD2 PHE 22 HD1 PHE 22 -1.455 -5.601 1.178
140 HE1 PHE 22 HE2 PHE 22 2.811 -4.869 -1.171
141 HE2 PHE 22 HE1 PHE 22 -0.191 -7.515 0.286
142 HZ PHE 22 HZ PHE 22 1.944 -7.151 -0.882
143 H VAL 23 H VAL 23 -1.444 0.136 -1.044
144 HA VAL 23 HA VAL 23 -2.449 1.744 1.148
145 HB VAL 23 HB VAL 23 -1.267 3.037 -0.412
146 1HG1 VAL 23 1HG1 VAL 23 -1.102 1.476 -2.242
147 2HG1 VAL 23 2HG1 VAL 23 -1.724 3.015 -2.847
148 3HG1 VAL 23 3HG1 VAL 23 -2.821 1.662 -2.594
149 1HG2 VAL 23 1HG2 VAL 23 -4.162 3.360 -1.173
150 2HG2 VAL 23 2HG2 VAL 23 -2.891 4.569 -1.356
151 3HG2 VAL 23 3HG2 VAL 23 -3.395 4.048 0.253
152 H ASN 24 H ASN 24 -4.421 1.487 1.855
153 HA ASN 24 HA ASN 24 -6.393 0.140 0.168
154 1HB ASN 24 2HB ASN 24 -5.899 -0.644 2.520
155 2HB ASN 24 1HB ASN 24 -6.600 0.860 3.099
156 1HD2 ASN 24 1HD2 ASN 24 -7.364 -1.964 3.455
157 2HD2 ASN 24 2HD2 ASN 24 -9.019 -2.059 2.975
158 H HIS 25 H HIS 25 -7.488 1.496 -1.082
159 HA HIS 25 HA HIS 25 -7.939 4.224 -0.335
160 1HB HIS 25 2HB HIS 25 -8.453 2.566 -2.730
161 2HB HIS 25 1HB HIS 25 -9.527 3.942 -2.493
162 HD1 HIS 25 HD1 HIS 25 -8.725 5.875 -3.780
163 HD2 HIS 25 HD2 HIS 25 -5.565 3.653 -2.255
164 HE1 HIS 25 HE1 HIS 25 -6.650 7.097 -4.479
165 HE2 HIS 25 HE2 HIS 25 -4.789 5.923 -3.255
166 H ASN 26 H ASN 26 -9.651 1.293 0.112
167 HA ASN 26 HA ASN 26 -12.255 2.416 0.442
168 1HB ASN 26 2HB ASN 26 -11.947 0.018 -0.010
169 2HB ASN 26 1HB ASN 26 -11.076 -0.166 1.511
170 1HD2 ASN 26 1HD2 ASN 26 -12.490 -1.643 2.369
171 2HD2 ASN 26 2HD2 ASN 26 -14.092 -1.227 2.861
172 H THR 27 H THR 27 -9.687 1.441 2.725
173 HA THR 27 HA THR 27 -11.158 2.627 4.939
174 HB THR 27 HB THR 27 -9.402 1.817 6.361
175 HG1 THR 27 HG1 THR 27 -7.581 0.801 5.508
176 1HG2 THR 27 1HG2 THR 27 -11.149 0.230 5.765
177 2HG2 THR 27 2HG2 THR 27 -9.604 -0.603 5.933
178 3HG2 THR 27 3HG2 THR 27 -10.243 -0.248 4.328
179 H ARG 28 H ARG 28 -8.694 3.479 2.729
180 HA ARG 28 HA ARG 28 -7.563 5.408 2.331
181 1HB ARG 28 2HB ARG 28 -9.027 6.519 4.734
182 2HB ARG 28 1HB ARG 28 -8.097 7.457 3.571
183 1HG ARG 28 2HG ARG 28 -9.676 7.125 1.878
184 2HG ARG 28 1HG ARG 28 -10.451 5.790 2.739
185 1HD ARG 28 2HD ARG 28 -10.479 8.708 3.491
186 2HD ARG 28 1HD ARG 28 -11.846 7.737 2.938
187 HE ARG 28 HE ARG 28 -11.069 6.397 5.122
188 1HH1 ARG 28 1HH1 ARG 28 -11.719 9.794 4.599
189 2HH1 ARG 28 2HH1 ARG 28 -12.142 10.104 6.255
190 1HH2 ARG 28 1HH2 ARG 28 -11.639 6.804 7.306
191 2HH2 ARG 28 2HH2 ARG 28 -12.078 8.413 7.782
192 H ILE 29 H ILE 29 -6.577 3.265 3.984
193 HA ILE 29 HA ILE 29 -4.678 4.772 5.659
194 HB ILE 29 HB ILE 29 -5.817 2.017 6.170
195 1HG1 ILE 29 2HG1 ILE 29 -5.974 4.578 7.776
196 2HG1 ILE 29 1HG1 ILE 29 -7.277 3.900 6.803
197 1HG2 ILE 29 1HG2 ILE 29 -3.499 1.935 6.751
198 2HG2 ILE 29 2HG2 ILE 29 -4.434 2.072 8.243
199 3HG2 ILE 29 3HG2 ILE 29 -3.606 3.486 7.592
200 1HD1 ILE 29 1HD1 ILE 29 -7.612 3.421 9.155
201 2HD1 ILE 29 2HD1 ILE 29 -6.039 2.626 9.232
202 3HD1 ILE 29 3HD1 ILE 29 -7.331 1.934 8.251
203 H THR 30 H THR 30 -2.579 4.439 5.307
204 HA THR 30 HA THR 30 -1.769 2.610 3.191
205 HB THR 30 HB THR 30 0.489 3.845 3.706
206 HG1 THR 30 HG1 THR 30 0.226 5.788 4.765
207 1HG2 THR 30 1HG2 THR 30 -0.157 5.670 2.219
208 2HG2 THR 30 2HG2 THR 30 -1.862 5.320 2.506
209 3HG2 THR 30 3HG2 THR 30 -0.850 4.145 1.664
210 H GLN 31 H GLN 31 -1.353 0.579 3.850
211 HA GLN 31 HA GLN 31 0.174 0.232 6.343
212 1HB GLN 31 2HB GLN 31 -2.100 -1.490 5.340
213 2HB GLN 31 1HB GLN 31 -1.048 -1.915 6.676
214 1HG GLN 31 2HG GLN 31 -1.789 0.171 7.823
215 2HG GLN 31 1HG GLN 31 -2.977 0.374 6.539
216 1HE2 GLN 31 1HE2 GLN 31 -4.704 0.189 7.948
217 2HE2 GLN 31 2HE2 GLN 31 -5.168 -1.315 8.657
218 H TRP 32 H TRP 32 1.634 -1.476 6.421
219 HA TRP 32 HA TRP 32 2.665 -2.353 3.841
220 1HB TRP 32 2HB TRP 32 3.635 -3.013 6.642
221 2HB TRP 32 1HB TRP 32 4.501 -3.318 5.144
222 HD1 TRP 32 HD1 TRP 32 3.215 -0.274 7.176
223 HE1 TRP 32 HE1 TRP 32 4.896 1.647 6.845
224 HE3 TRP 32 HE3 TRP 32 6.390 -2.531 3.851
225 HZ2 TRP 32 HZ2 TRP 32 7.261 2.132 5.382
226 HZ3 TRP 32 HZ3 TRP 32 8.339 -1.271 3.040
227 HH2 TRP 32 HH2 TRP 32 8.766 1.014 3.789
228 H GLU 33 H GLU 33 0.256 -3.286 5.791
229 HA GLU 33 HA GLU 33 0.891 -6.105 6.093
230 1HB GLU 33 2HB GLU 33 -0.096 -4.584 7.898
231 2HB GLU 33 1HB GLU 33 -1.598 -4.663 6.989
232 1HG GLU 33 2HG GLU 33 -1.794 -6.271 8.679
233 2HG GLU 33 1HG GLU 33 -1.450 -7.173 7.201
234 H ASP 34 H ASP 34 -0.076 -7.725 4.970
235 HA ASP 34 HA ASP 34 -2.480 -7.069 3.423
236 1HB ASP 34 2HB ASP 34 -1.915 -9.107 2.061
237 2HB ASP 34 1HB ASP 34 -0.801 -7.765 1.877
238 HA PRO 35 HA PRO 35 -4.397 -9.426 6.859
239 1HB PRO 35 2HB PRO 35 -6.614 -8.889 4.951
240 2HB PRO 35 1HB PRO 35 -6.567 -8.692 6.702
241 1HG PRO 35 2HG PRO 35 -6.368 -6.617 4.939
242 2HG PRO 35 1HG PRO 35 -5.694 -6.597 6.568
243 1HD PRO 35 2HD PRO 35 -4.313 -6.672 4.011
244 2HD PRO 35 1HD PRO 35 -3.658 -6.366 5.625
245 1H GLU 101 1H GLU 101 13.990 -1.721 8.491
246 2H GLU 101 2H GLU 101 14.700 -0.289 7.921
247 3H GLU 101 3H GLU 101 13.203 -0.790 7.313
248 HA GLU 101 HA GLU 101 12.152 -0.455 9.416
249 1HB GLU 101 2HB GLU 101 14.147 -1.023 10.784
250 2HB GLU 101 1HB GLU 101 14.865 0.518 10.345
251 1HG GLU 101 2HG GLU 101 13.056 1.698 11.463
252 2HG GLU 101 1HG GLU 101 12.301 0.160 11.880
253 H GLU 102 H GLU 102 10.917 1.057 8.523
254 HA GLU 102 HA GLU 102 11.877 3.784 8.394
255 1HB GLU 102 2HB GLU 102 11.179 4.056 6.026
256 2HB GLU 102 1HB GLU 102 12.543 2.963 6.216
257 1HG GLU 102 2HG GLU 102 10.695 1.124 6.250
258 2HG GLU 102 1HG GLU 102 9.729 2.362 5.453
259 HA PRO 103 HA PRO 103 7.628 4.391 9.487
260 1HB PRO 103 2HB PRO 103 7.372 7.035 9.046
261 2HB PRO 103 1HB PRO 103 8.353 6.397 10.370
262 1HG PRO 103 2HG PRO 103 9.211 7.434 7.702
263 2HG PRO 103 1HG PRO 103 9.950 7.683 9.295
264 1HD PRO 103 2HD PRO 103 10.854 5.863 7.451
265 2HD PRO 103 1HD PRO 103 11.101 5.712 9.202
266 HA PRO 104 HA PRO 104 5.342 4.217 5.677
267 1HB PRO 104 2HB PRO 104 2.835 4.326 6.657
268 2HB PRO 104 1HB PRO 104 3.872 2.916 6.884
269 1HG PRO 104 2HG PRO 104 3.228 5.120 8.791
270 2HG PRO 104 1HG PRO 104 3.387 3.381 9.095
271 1HD PRO 104 2HD PRO 104 5.348 5.234 9.632
272 2HD PRO 104 1HD PRO 104 5.654 3.514 9.332
273 HA PRO 105 HA PRO 105 4.316 8.422 4.628
274 1HB PRO 105 2HB PRO 105 2.984 7.457 2.241
275 2HB PRO 105 1HB PRO 105 4.549 8.257 2.374
276 1HG PRO 105 2HG PRO 105 4.245 5.648 1.657
277 2HG PRO 105 1HG PRO 105 5.691 6.286 2.456
278 1HD PRO 105 2HD PRO 105 3.388 4.776 3.630
279 2HD PRO 105 1HD PRO 105 5.125 4.622 3.967
280 HA PRO 106 HA PRO 106 0.051 8.827 5.807
281 1HB PRO 106 2HB PRO 106 0.040 11.555 4.855
282 2HB PRO 106 1HB PRO 106 0.115 10.970 6.519
283 1HG PRO 106 2HG PRO 106 2.187 12.246 5.274
284 2HG PRO 106 1HG PRO 106 2.401 11.082 6.592
285 1HD PRO 106 2HD PRO 106 2.707 10.682 3.638
286 2HD PRO 106 1HD PRO 106 3.707 10.063 4.970
287 H TYR 107 H TYR 107 -2.034 9.002 4.917
288 HA TYR 107 HA TYR 107 -2.061 8.338 2.116
289 1HB TYR 107 2HB TYR 107 -3.491 7.070 3.606
290 2HB TYR 107 1HB TYR 107 -4.313 8.533 4.132
291 HD1 TYR 107 HD2 TYR 107 -3.957 6.088 1.436
292 HD2 TYR 107 HD1 TYR 107 -5.966 9.614 2.693
293 HE1 TYR 107 HE2 TYR 107 -5.609 5.781 -0.364
294 HE2 TYR 107 HE1 TYR 107 -7.610 9.330 0.895
295 HH TYR 107 HH TYR 107 -7.586 8.140 -1.446
296 H GLU 108 H GLU 108 -1.762 9.991 0.795
297 HA GLU 108 HA GLU 108 -3.755 12.160 0.885
298 1HB GLU 108 2HB GLU 108 -1.419 12.933 1.352
299 2HB GLU 108 1HB GLU 108 -0.944 12.325 -0.229
300 1HG GLU 108 2HG GLU 108 -2.753 13.878 -1.161
301 2HG GLU 108 1HG GLU 108 -2.738 14.638 0.430
302 H ASP 109 H ASP 109 -2.621 9.453 -0.697
303 HA ASP 109 HA ASP 109 -3.519 10.413 -3.325
304 1HB ASP 109 2HB ASP 109 -1.082 9.825 -3.137
305 2HB ASP 109 1HB ASP 109 -1.565 8.166 -2.800
Start of MODEL 10
1 HA PRO 5 HA PRO 5 0.343 -10.359 -2.465
2 1HB PRO 5 2HB PRO 5 -1.756 -12.307 -2.325
3 2HB PRO 5 1HB PRO 5 -0.624 -12.022 -3.645
4 1HG PRO 5 2HG PRO 5 -0.670 -14.293 -2.087
5 2HG PRO 5 1HG PRO 5 0.733 -13.727 -3.005
6 1HD PRO 5 2HD PRO 5 0.136 -13.452 -0.094
7 2HD PRO 5 1HD PRO 5 1.688 -13.743 -0.910
8 H LEU 6 H LEU 6 -1.700 -9.258 -2.380
9 HA LEU 6 HA LEU 6 -2.742 -9.081 0.346
10 1HB LEU 6 2HB LEU 6 -3.658 -6.828 -0.335
11 2HB LEU 6 1HB LEU 6 -1.926 -6.943 -0.189
12 HG LEU 6 HG LEU 6 -2.661 -5.481 -2.055
13 1HD1 LEU 6 1HD1 LEU 6 -1.217 -6.418 -3.797
14 2HD1 LEU 6 2HD1 LEU 6 -1.184 -7.959 -2.940
15 3HD1 LEU 6 3HD1 LEU 6 -0.481 -6.524 -2.196
16 1HD2 LEU 6 1HD2 LEU 6 -4.695 -6.632 -2.712
17 2HD2 LEU 6 2HD2 LEU 6 -3.759 -8.017 -3.271
18 3HD2 LEU 6 3HD2 LEU 6 -3.602 -6.462 -4.086
19 HA PRO 7 HA PRO 7 -6.811 -10.156 -1.250
20 1HB PRO 7 2HB PRO 7 -8.210 -9.683 1.004
21 2HB PRO 7 1HB PRO 7 -7.116 -11.063 0.887
22 1HG PRO 7 2HG PRO 7 -6.774 -8.500 2.352
23 2HG PRO 7 1HG PRO 7 -6.120 -10.107 2.714
24 1HD PRO 7 2HD PRO 7 -4.780 -7.959 1.453
25 2HD PRO 7 1HD PRO 7 -4.190 -9.619 1.643
26 HA PRO 8 HA PRO 8 -6.824 -5.962 -2.101
27 1HB PRO 8 2HB PRO 8 -7.970 -5.922 -4.541
28 2HB PRO 8 1HB PRO 8 -6.392 -6.646 -4.222
29 1HG PRO 8 2HG PRO 8 -8.986 -7.949 -4.764
30 2HG PRO 8 1HG PRO 8 -7.348 -8.565 -5.013
31 1HD PRO 8 2HD PRO 8 -9.125 -9.142 -2.855
32 2HD PRO 8 1HD PRO 8 -7.447 -9.688 -3.054
33 H GLY 9 H GLY 9 -8.565 -5.582 -0.303
34 1HA GLY 9 2HA GLY 9 -10.144 -3.507 -1.608
35 2HA GLY 9 1HA GLY 9 -9.729 -3.602 0.114
36 H TRP 10 H TRP 10 -7.075 -4.465 -0.786
37 HA TRP 10 HA TRP 10 -5.671 -1.971 -0.612
38 1HB TRP 10 2HB TRP 10 -4.688 -4.836 -0.847
39 2HB TRP 10 1HB TRP 10 -3.768 -3.455 -0.255
40 HD1 TRP 10 HD1 TRP 10 -5.712 -6.299 0.936
41 HE1 TRP 10 HE1 TRP 10 -6.348 -6.031 3.414
42 HE3 TRP 10 HE3 TRP 10 -4.563 -1.395 1.489
43 HZ2 TRP 10 HZ2 TRP 10 -6.341 -3.986 5.348
44 HZ3 TRP 10 HZ3 TRP 10 -4.910 -0.359 3.651
45 HH2 TRP 10 HH2 TRP 10 -5.771 -1.619 5.567
46 H GLU 11 H GLU 11 -4.138 -1.296 -2.122
47 HA GLU 11 HA GLU 11 -3.936 -2.791 -4.629
48 1HB GLU 11 2HB GLU 11 -3.790 -0.593 -5.819
49 2HB GLU 11 1HB GLU 11 -5.366 -0.883 -5.088
50 1HG GLU 11 2HG GLU 11 -4.448 0.394 -3.088
51 2HG GLU 11 1HG GLU 11 -3.191 0.953 -4.187
52 H LYS 12 H LYS 12 -1.859 -2.559 -5.647
53 HA LYS 12 HA LYS 12 0.144 -2.273 -3.566
54 1HB LYS 12 2HB LYS 12 -0.116 -4.428 -4.774
55 2HB LYS 12 1HB LYS 12 0.276 -3.609 -6.279
56 1HG LYS 12 2HG LYS 12 2.236 -4.699 -5.558
57 2HG LYS 12 1HG LYS 12 2.435 -2.970 -5.252
58 1HD LYS 12 2HD LYS 12 2.011 -3.219 -2.941
59 2HD LYS 12 1HD LYS 12 1.442 -4.877 -3.159
60 1HE LYS 12 2HE LYS 12 4.264 -3.956 -3.685
61 2HE LYS 12 1HE LYS 12 3.731 -4.720 -2.190
62 1HZ LYS 12 1HZ LYS 12 3.159 -6.701 -3.428
63 2HZ LYS 12 2HZ LYS 12 4.780 -6.289 -3.712
64 3HZ LYS 12 3HZ LYS 12 3.604 -5.962 -4.893
65 H ARG 13 H ARG 13 0.649 -0.097 -3.559
66 HA ARG 13 HA ARG 13 1.515 1.060 -6.130
67 1HB ARG 13 2HB ARG 13 0.134 2.445 -3.835
68 2HB ARG 13 1HB ARG 13 0.834 3.267 -5.221
69 1HG ARG 13 2HG ARG 13 -0.702 1.949 -6.682
70 2HG ARG 13 1HG ARG 13 -1.488 1.357 -5.216
71 1HD ARG 13 2HD ARG 13 -2.666 3.280 -6.191
72 2HD ARG 13 1HD ARG 13 -2.057 3.616 -4.571
73 HE ARG 13 HE ARG 13 -0.183 4.444 -6.524
74 1HH1 ARG 13 1HH1 ARG 13 -3.249 5.332 -5.124
75 2HH1 ARG 13 2HH1 ARG 13 -3.044 7.036 -5.397
76 1HH2 ARG 13 1HH2 ARG 13 0.100 6.678 -6.928
77 2HH2 ARG 13 2HH2 ARG 13 -1.167 7.791 -6.496
78 H THR 14 H THR 14 3.266 2.341 -6.182
79 HA THR 14 HA THR 14 5.128 2.184 -3.957
80 HB THR 14 HB THR 14 6.464 3.544 -5.910
81 HG1 THR 14 HG1 THR 14 5.813 2.051 -7.805
82 1HG2 THR 14 1HG2 THR 14 7.217 1.506 -4.701
83 2HG2 THR 14 2HG2 THR 14 7.600 1.480 -6.418
84 3HG2 THR 14 3HG2 THR 14 6.243 0.533 -5.805
85 H ASP 15 H ASP 15 6.055 3.972 -2.976
86 HA ASP 15 HA ASP 15 4.871 6.573 -3.573
87 1HB ASP 15 2HB ASP 15 6.212 7.473 -1.717
88 2HB ASP 15 1HB ASP 15 5.217 6.132 -1.180
89 H SER 16 H SER 16 6.577 8.367 -4.011
90 HA SER 16 HA SER 16 6.528 8.031 -6.604
91 1HB SER 16 2HB SER 16 7.181 10.126 -5.406
92 2HB SER 16 1HB SER 16 8.832 9.513 -5.335
93 HG SER 16 HG SER 16 9.105 10.082 -7.330
94 H ASN 17 H ASN 17 9.676 7.261 -4.938
95 HA ASN 17 HA ASN 17 10.564 6.261 -7.532
96 1HB ASN 17 2HB ASN 17 12.321 6.054 -5.149
97 2HB ASN 17 1HB ASN 17 12.717 6.486 -6.808
98 1HD2 ASN 17 1HD2 ASN 17 11.675 7.618 -3.716
99 2HD2 ASN 17 2HD2 ASN 17 11.813 9.318 -4.056
100 H GLY 18 H GLY 18 11.152 4.960 -4.278
101 1HA GLY 18 2HA GLY 18 11.482 2.353 -5.548
102 2HA GLY 18 1HA GLY 18 12.134 2.827 -3.994
103 H ARG 19 H ARG 19 9.523 3.729 -2.956
104 HA ARG 19 HA ARG 19 9.461 1.086 -1.729
105 1HB ARG 19 2HB ARG 19 10.099 3.204 -0.536
106 2HB ARG 19 1HB ARG 19 8.426 3.706 -0.688
107 1HG ARG 19 2HG ARG 19 7.807 1.624 0.584
108 2HG ARG 19 1HG ARG 19 9.532 1.438 0.924
109 1HD ARG 19 2HD ARG 19 7.875 3.873 1.573
110 2HD ARG 19 1HD ARG 19 8.325 2.619 2.724
111 HE ARG 19 HE ARG 19 10.662 3.305 2.382
112 1HH1 ARG 19 1HH1 ARG 19 8.220 5.494 1.161
113 2HH1 ARG 19 2HH1 ARG 19 9.120 6.926 1.569
114 1HH2 ARG 19 1HH2 ARG 19 11.862 5.170 2.913
115 2HH2 ARG 19 2HH2 ARG 19 11.205 6.743 2.577
116 H VAL 20 H VAL 20 7.762 -0.211 -1.724
117 HA VAL 20 HA VAL 20 5.233 0.850 -2.762
118 HB VAL 20 HB VAL 20 6.334 -0.860 -4.170
119 1HG1 VAL 20 1HG1 VAL 20 6.297 -3.216 -3.448
120 2HG1 VAL 20 2HG1 VAL 20 5.824 -2.691 -1.832
121 3HG1 VAL 20 3HG1 VAL 20 7.394 -2.226 -2.490
122 1HG2 VAL 20 1HG2 VAL 20 3.687 -1.676 -2.983
123 2HG2 VAL 20 2HG2 VAL 20 4.334 -2.237 -4.525
124 3HG2 VAL 20 3HG2 VAL 20 3.938 -0.533 -4.305
125 H TYR 21 H TYR 21 3.294 0.261 -1.829
126 HA TYR 21 HA TYR 21 3.324 -0.940 0.802
127 1HB TYR 21 2HB TYR 21 2.218 1.069 1.805
128 2HB TYR 21 1HB TYR 21 3.899 1.315 1.354
129 HD1 TYR 21 HD2 TYR 21 0.408 1.951 0.186
130 HD2 TYR 21 HD1 TYR 21 4.510 3.066 -0.037
131 HE1 TYR 21 HE2 TYR 21 -0.201 3.942 -1.126
132 HE2 TYR 21 HE1 TYR 21 3.912 5.055 -1.336
133 HH TYR 21 HH TYR 21 2.088 5.818 -2.786
134 H PHE 22 H PHE 22 1.237 -1.485 1.624
135 HA PHE 22 HA PHE 22 -0.694 -1.911 -0.532
136 1HB PHE 22 2HB PHE 22 -0.702 -2.845 2.361
137 2HB PHE 22 1HB PHE 22 -1.935 -3.254 1.181
138 HD1 PHE 22 HD2 PHE 22 1.232 -3.229 -0.392
139 HD2 PHE 22 HD1 PHE 22 -1.259 -5.558 2.154
140 HE1 PHE 22 HE2 PHE 22 2.491 -5.252 -1.015
141 HE2 PHE 22 HE1 PHE 22 -0.006 -7.580 1.536
142 HZ PHE 22 HZ PHE 22 1.869 -7.434 -0.055
143 H VAL 23 H VAL 23 -2.014 -0.292 -0.894
144 HA VAL 23 HA VAL 23 -2.934 1.350 1.371
145 HB VAL 23 HB VAL 23 -1.527 2.718 0.045
146 1HG1 VAL 23 1HG1 VAL 23 -1.381 1.266 -1.910
147 2HG1 VAL 23 2HG1 VAL 23 -1.714 2.938 -2.379
148 3HG1 VAL 23 3HG1 VAL 23 -3.012 1.742 -2.390
149 1HG2 VAL 23 1HG2 VAL 23 -3.585 3.837 0.666
150 2HG2 VAL 23 2HG2 VAL 23 -4.376 3.246 -0.795
151 3HG2 VAL 23 3HG2 VAL 23 -3.046 4.397 -0.916
152 H ASN 24 H ASN 24 -5.077 1.823 1.531
153 HA ASN 24 HA ASN 24 -6.862 0.739 -0.552
154 1HB ASN 24 2HB ASN 24 -6.873 -0.588 1.581
155 2HB ASN 24 1HB ASN 24 -7.415 0.854 2.425
156 1HD2 ASN 24 1HD2 ASN 24 -8.703 -1.735 2.176
157 2HD2 ASN 24 2HD2 ASN 24 -10.247 -1.436 1.458
158 H HIS 25 H HIS 25 -8.141 2.244 -1.449
159 HA HIS 25 HA HIS 25 -7.975 4.972 -0.626
160 1HB HIS 25 2HB HIS 25 -9.567 3.547 -2.743
161 2HB HIS 25 1HB HIS 25 -9.815 5.256 -2.415
162 HD1 HIS 25 HD1 HIS 25 -8.898 6.163 -4.577
163 HD2 HIS 25 HD2 HIS 25 -6.255 3.609 -2.642
164 HE1 HIS 25 HE1 HIS 25 -6.741 6.329 -5.853
165 HE2 HIS 25 HE2 HIS 25 -5.294 4.522 -4.855
166 H ASN 26 H ASN 26 -10.317 2.422 -0.200
167 HA ASN 26 HA ASN 26 -12.483 4.067 0.609
168 1HB ASN 26 2HB ASN 26 -11.913 1.130 1.042
169 2HB ASN 26 1HB ASN 26 -13.410 1.910 1.541
170 1HD2 ASN 26 1HD2 ASN 26 -14.922 2.459 0.020
171 2HD2 ASN 26 2HD2 ASN 26 -14.815 1.966 -1.638
172 H THR 27 H THR 27 -9.930 2.358 2.341
173 HA THR 27 HA THR 27 -10.930 3.257 4.910
174 HB THR 27 HB THR 27 -9.080 2.077 5.885
175 HG1 THR 27 HG1 THR 27 -7.400 1.359 4.721
176 1HG2 THR 27 1HG2 THR 27 -11.051 0.769 5.287
177 2HG2 THR 27 2HG2 THR 27 -9.585 -0.198 5.123
178 3HG2 THR 27 3HG2 THR 27 -10.373 0.462 3.689
179 H ARG 28 H ARG 28 -8.656 4.243 2.517
180 HA ARG 28 HA ARG 28 -7.278 6.033 2.304
181 1HB ARG 28 2HB ARG 28 -8.716 6.942 4.803
182 2HB ARG 28 1HB ARG 28 -7.565 7.935 3.919
183 1HG ARG 28 2HG ARG 28 -8.973 8.031 2.012
184 2HG ARG 28 1HG ARG 28 -10.041 6.783 2.656
185 1HD ARG 28 2HD ARG 28 -9.607 9.480 3.926
186 2HD ARG 28 1HD ARG 28 -10.942 9.096 2.840
187 HE ARG 28 HE ARG 28 -10.858 7.231 4.964
188 1HH1 ARG 28 1HH1 ARG 28 -11.608 10.604 4.346
189 2HH1 ARG 28 2HH1 ARG 28 -12.831 10.686 5.579
190 1HH2 ARG 28 1HH2 ARG 28 -12.465 7.330 6.580
191 2HH2 ARG 28 2HH2 ARG 28 -13.328 8.815 6.849
192 H ILE 29 H ILE 29 -6.491 3.641 3.707
193 HA ILE 29 HA ILE 29 -4.495 4.730 5.583
194 HB ILE 29 HB ILE 29 -5.792 1.995 5.680
195 1HG1 ILE 29 2HG1 ILE 29 -6.102 4.383 7.521
196 2HG1 ILE 29 1HG1 ILE 29 -7.309 3.821 6.370
197 1HG2 ILE 29 1HG2 ILE 29 -4.598 1.747 7.816
198 2HG2 ILE 29 2HG2 ILE 29 -3.796 3.293 7.537
199 3HG2 ILE 29 3HG2 ILE 29 -3.490 1.935 6.456
200 1HD1 ILE 29 1HD1 ILE 29 -6.295 2.303 8.762
201 2HD1 ILE 29 2HD1 ILE 29 -7.485 1.713 7.604
202 3HD1 ILE 29 3HD1 ILE 29 -7.857 3.108 8.616
203 H THR 30 H THR 30 -2.416 4.119 5.357
204 HA THR 30 HA THR 30 -1.717 2.332 3.125
205 HB THR 30 HB THR 30 0.552 3.617 3.419
206 HG1 THR 30 HG1 THR 30 0.455 5.446 4.561
207 1HG2 THR 30 1HG2 THR 30 -0.854 3.791 1.433
208 2HG2 THR 30 2HG2 THR 30 -0.223 5.376 1.882
209 3HG2 THR 30 3HG2 THR 30 -1.896 4.953 2.255
210 H GLN 31 H GLN 31 -0.901 0.387 3.761
211 HA GLN 31 HA GLN 31 0.417 0.253 6.381
212 1HB GLN 31 2HB GLN 31 -1.508 -1.717 5.260
213 2HB GLN 31 1HB GLN 31 -0.599 -1.956 6.735
214 1HG GLN 31 2HG GLN 31 -1.694 0.068 7.661
215 2HG GLN 31 1HG GLN 31 -2.683 0.146 6.203
216 1HE2 GLN 31 1HE2 GLN 31 -3.473 -0.187 8.982
217 2HE2 GLN 31 2HE2 GLN 31 -4.369 -1.671 9.045
218 H TRP 32 H TRP 32 2.079 -1.208 6.667
219 HA TRP 32 HA TRP 32 3.314 -2.284 4.251
220 1HB TRP 32 2HB TRP 32 4.258 -2.444 7.127
221 2HB TRP 32 1HB TRP 32 5.206 -2.837 5.698
222 HD1 TRP 32 HD1 TRP 32 4.950 -0.215 8.115
223 HE1 TRP 32 HE1 TRP 32 5.784 2.045 7.203
224 HE3 TRP 32 HE3 TRP 32 4.959 -1.323 3.138
225 HZ2 TRP 32 HZ2 TRP 32 6.339 3.209 4.674
226 HZ3 TRP 32 HZ3 TRP 32 5.650 0.406 1.542
227 HH2 TRP 32 HH2 TRP 32 6.327 2.621 2.288
228 H GLU 33 H GLU 33 1.341 -3.240 6.844
229 HA GLU 33 HA GLU 33 2.018 -6.068 6.618
230 1HB GLU 33 2HB GLU 33 0.614 -6.312 8.634
231 2HB GLU 33 1HB GLU 33 1.898 -5.133 8.870
232 1HG GLU 33 2HG GLU 33 0.275 -3.329 8.426
233 2HG GLU 33 1HG GLU 33 -0.996 -4.542 8.295
234 H ASP 34 H ASP 34 0.448 -7.631 6.107
235 HA ASP 34 HA ASP 34 -1.976 -6.571 4.854
236 1HB ASP 34 2HB ASP 34 -2.053 -8.603 3.535
237 2HB ASP 34 1HB ASP 34 -0.468 -7.872 3.363
238 HA PRO 35 HA PRO 35 -4.243 -8.534 8.244
239 1HB PRO 35 2HB PRO 35 -6.653 -8.172 6.835
240 2HB PRO 35 1HB PRO 35 -6.021 -7.129 8.110
241 1HG PRO 35 2HG PRO 35 -5.996 -6.746 5.181
242 2HG PRO 35 1HG PRO 35 -5.948 -5.551 6.470
243 1HD PRO 35 2HD PRO 35 -3.798 -6.220 4.930
244 2HD PRO 35 1HD PRO 35 -3.670 -5.574 6.574
245 1H GLU 101 1H GLU 101 10.171 -1.423 8.656
246 2H GLU 101 2H GLU 101 11.123 -2.659 7.996
247 3H GLU 101 3H GLU 101 10.709 -1.317 7.051
248 HA GLU 101 HA GLU 101 12.423 -1.259 9.466
249 1HB GLU 101 2HB GLU 101 13.512 -2.356 7.573
250 2HB GLU 101 1HB GLU 101 13.074 -1.019 6.520
251 1HG GLU 101 2HG GLU 101 14.505 0.469 7.856
252 2HG GLU 101 1HG GLU 101 14.975 -0.908 8.852
253 H GLU 102 H GLU 102 10.968 0.400 6.758
254 HA GLU 102 HA GLU 102 11.692 3.009 7.813
255 1HB GLU 102 2HB GLU 102 10.582 3.802 5.681
256 2HB GLU 102 1HB GLU 102 12.003 2.793 5.459
257 1HG GLU 102 2HG GLU 102 9.211 1.684 5.353
258 2HG GLU 102 1HG GLU 102 10.020 2.357 3.938
259 HA PRO 103 HA PRO 103 7.607 3.606 9.515
260 1HB PRO 103 2HB PRO 103 7.906 6.476 9.316
261 2HB PRO 103 1HB PRO 103 8.004 5.462 10.757
262 1HG PRO 103 2HG PRO 103 10.147 6.793 9.683
263 2HG PRO 103 1HG PRO 103 10.281 5.315 10.652
264 1HD PRO 103 2HD PRO 103 10.387 5.649 7.679
265 2HD PRO 103 1HD PRO 103 11.348 4.588 8.734
266 HA PRO 104 HA PRO 104 5.278 4.091 5.907
267 1HB PRO 104 2HB PRO 104 2.775 4.348 6.858
268 2HB PRO 104 1HB PRO 104 3.707 2.860 7.055
269 1HG PRO 104 2HG PRO 104 3.206 5.056 9.025
270 2HG PRO 104 1HG PRO 104 3.204 3.302 9.279
271 1HD PRO 104 2HD PRO 104 5.312 4.940 9.909
272 2HD PRO 104 1HD PRO 104 5.474 3.215 9.527
273 HA PRO 105 HA PRO 105 4.363 8.379 4.996
274 1HB PRO 105 2HB PRO 105 3.354 7.996 2.527
275 2HB PRO 105 1HB PRO 105 5.084 7.856 2.861
276 1HG PRO 105 2HG PRO 105 3.037 5.709 2.531
277 2HG PRO 105 1HG PRO 105 4.710 5.767 1.944
278 1HD PRO 105 2HD PRO 105 3.912 4.403 4.185
279 2HD PRO 105 1HD PRO 105 5.554 5.015 3.926
280 HA PRO 106 HA PRO 106 -0.047 8.531 5.783
281 1HB PRO 106 2HB PRO 106 -0.042 11.325 5.025
282 2HB PRO 106 1HB PRO 106 -0.201 10.624 6.635
283 1HG PRO 106 2HG PRO 106 1.970 12.064 5.820
284 2HG PRO 106 1HG PRO 106 2.035 10.819 7.080
285 1HD PRO 106 2HD PRO 106 2.819 10.643 4.195
286 2HD PRO 106 1HD PRO 106 3.622 9.957 5.625
287 H TYR 107 H TYR 107 -1.970 8.682 4.542
288 HA TYR 107 HA TYR 107 -1.466 8.183 1.763
289 1HB TYR 107 2HB TYR 107 -3.064 6.746 2.768
290 2HB TYR 107 1HB TYR 107 -3.964 8.095 3.455
291 HD1 TYR 107 HD1 TYR 107 -2.968 6.650 0.156
292 HD2 TYR 107 HD2 TYR 107 -5.856 8.867 2.357
293 HE1 TYR 107 HE1 TYR 107 -4.441 6.679 -1.809
294 HE2 TYR 107 HE2 TYR 107 -7.339 8.895 0.399
295 HH TYR 107 HH TYR 107 -7.115 8.721 -2.077
296 H GLU 108 H GLU 108 -1.736 9.458 0.102
297 HA GLU 108 HA GLU 108 -3.127 12.025 0.467
298 1HB GLU 108 2HB GLU 108 -0.818 11.480 -1.414
299 2HB GLU 108 1HB GLU 108 -1.568 13.036 -1.078
300 1HG GLU 108 2HG GLU 108 -0.749 12.954 1.207
301 2HG GLU 108 1HG GLU 108 -0.027 11.374 0.898
302 H ASP 109 H ASP 109 -4.523 12.647 -1.169
303 HA ASP 109 HA ASP 109 -5.397 10.546 -2.949
304 1HB ASP 109 2HB ASP 109 -6.411 13.320 -2.362
305 2HB ASP 109 1HB ASP 109 -7.050 12.379 -3.707
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