NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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10476 |
1psm   |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 3H GLU 1 -0.059 0.172 0.172
2 2H GLU 1 2H GLU 1 -0.248 0.421 0.421
3 3H GLU 1 1H GLU 1 0.015 -1.156 -1.156
4 HA GLU 1 HA GLU 1 2.200 -0.541 -0.541
5 1HB GLU 1 2HB GLU 1 3.242 -0.040 -0.040
6 2HB GLU 1 1HB GLU 1 1.998 -1.316 -1.316
7 1HG GLU 1 2HG GLU 1 0.288 0.428 0.428
8 2HG GLU 1 1HG GLU 1 1.648 1.616 1.616
9 H ALA 2 H ALA 2 3.547 1.874 1.874
10 HA ALA 2 HA ALA 2 2.280 4.102 4.102
11 1HB ALA 2 2HB ALA 2 4.164 3.225 3.225
12 2HB ALA 2 1HB ALA 2 5.296 3.413 3.413
13 3HB ALA 2 3HB ALA 2 4.528 4.866 4.866
14 H TYR 3 H TYR 3 1.671 3.723 3.723
15 HA TYR 3 HA TYR 3 3.405 4.405 4.405
16 1HB TYR 3 2HB TYR 3 1.317 4.274 4.274
17 2HB TYR 3 1HB TYR 3 1.625 2.858 2.858
18 HD1 TYR 3 HD1 TYR 3 0.249 3.014 3.014
19 HD2 TYR 3 HD2 TYR 3 -0.925 4.797 4.797
20 HE1 TYR 3 HE1 TYR 3 -1.992 3.248 3.248
21 HE2 TYR 3 HE2 TYR 3 -3.211 4.973 4.973
22 HH TYR 3 HH TYR 3 -4.634 4.575 4.575
23 H LYS 4 H LYS 4 0.320 6.017 6.017
24 HA LYS 4 HA LYS 4 1.481 8.705 8.705
25 1HB LYS 4 2HB LYS 4 0.019 7.135 7.135
26 2HB LYS 4 1HB LYS 4 -0.770 8.696 8.696
27 1HG LYS 4 2HG LYS 4 2.226 8.357 8.357
28 2HG LYS 4 1HG LYS 4 0.975 8.643 8.643
29 1HD LYS 4 2HD LYS 4 1.612 10.570 10.570
30 2HD LYS 4 1HD LYS 4 2.218 10.702 10.702
31 1HE LYS 4 2HE LYS 4 -0.104 10.963 10.963
32 2HE LYS 4 1HE LYS 4 -0.790 10.818 10.818
33 1HZ LYS 4 1HZ LYS 4 1.093 12.952 12.952
34 2HZ LYS 4 3HZ LYS 4 -0.593 13.078 13.078
35 3HZ LYS 4 2HZ LYS 4 0.323 12.840 12.840
36 H LYS 5 H LYS 5 0.818 9.498 9.498
37 HA LYS 5 HA LYS 5 -1.878 9.988 9.988
38 1HB LYS 5 2HB LYS 5 -1.654 9.217 9.217
39 2HB LYS 5 1HB LYS 5 -1.975 7.907 7.907
40 1HG LYS 5 2HG LYS 5 0.114 6.928 6.928
41 2HG LYS 5 1HG LYS 5 0.954 8.414 8.414
42 1HD LYS 5 2HD LYS 5 -0.967 6.807 6.807
43 2HD LYS 5 1HD LYS 5 0.831 6.704 6.704
44 1HE LYS 5 2HE LYS 5 0.965 9.183 9.183
45 2HE LYS 5 1HE LYS 5 -0.828 9.236 9.236
46 1HZ LYS 5 2HZ LYS 5 1.076 7.647 7.647
47 2HZ LYS 5 1HZ LYS 5 0.336 9.101 9.101
48 3HZ LYS 5 3HZ LYS 5 -0.610 7.721 7.721
49 H ALA 6 H ALA 6 -1.398 11.460 11.460
50 HA ALA 6 HA ALA 6 1.006 13.028 13.028
51 1HB ALA 6 2HB ALA 6 -1.164 14.233 14.233
52 2HB ALA 6 1HB ALA 6 -1.324 13.537 13.537
53 3HB ALA 6 3HB ALA 6 0.028 14.670 14.670
54 H LYS 7 H LYS 7 2.773 12.042 12.042
55 HA LYS 7 HA LYS 7 2.693 10.540 10.540
56 1HB LYS 7 2HB LYS 7 4.967 11.114 11.114
57 2HB LYS 7 1HB LYS 7 5.124 10.052 10.052
58 1HG LYS 7 2HG LYS 7 3.393 8.579 8.579
59 2HG LYS 7 1HG LYS 7 3.043 9.511 9.511
60 1HD LYS 7 2HD LYS 7 5.864 8.365 8.365
61 2HD LYS 7 1HD LYS 7 4.477 7.291 7.291
62 1HE LYS 7 2HE LYS 7 3.935 8.771 8.771
63 2HE LYS 7 1HE LYS 7 5.544 9.561 9.561
64 1HZ LYS 7 1HZ LYS 7 5.095 6.588 6.588
65 2HZ LYS 7 3HZ LYS 7 5.394 7.668 7.668
66 3HZ LYS 7 2HZ LYS 7 6.591 7.420 7.420
67 H GLN 8 H GLN 8 3.271 13.747 13.747
68 HA GLN 8 HA GLN 8 4.813 14.554 14.554
69 1HB GLN 8 2HB GLN 8 4.633 16.816 16.816
70 2HB GLN 8 1HB GLN 8 5.037 15.644 15.644
71 1HG GLN 8 2HG GLN 8 2.484 15.618 15.618
72 2HG GLN 8 1HG GLN 8 2.319 17.064 17.064
73 1HE2 GLN 8 2HE2 GLN 8 4.380 19.052 19.052
74 2HE2 GLN 8 1HE2 GLN 8 4.331 18.818 18.818
75 H ALA 9 H ALA 9 1.424 14.067 14.067
76 HA ALA 9 HA ALA 9 0.583 15.482 15.482
77 1HB ALA 9 3HB ALA 9 -1.138 14.500 14.500
78 2HB ALA 9 2HB ALA 9 -1.754 15.300 15.300
79 3HB ALA 9 1HB ALA 9 -0.696 16.204 16.204
80 H SER 10 H SER 10 1.354 13.680 13.680
81 HA SER 10 HA SER 10 -0.410 11.589 11.589
82 1HB SER 10 2HB SER 10 2.310 10.843 10.843
83 2HB SER 10 1HB SER 10 1.331 9.641 9.641
84 HG SER 10 HG SER 10 0.051 11.110 11.110
85 H GLN 11 H GLN 11 1.208 10.063 10.063
86 HA GLN 11 HA GLN 11 1.725 11.779 11.779
87 1HB GLN 11 2HB GLN 11 2.469 9.673 9.673
88 2HB GLN 11 1HB GLN 11 0.808 9.777 9.777
89 1HG GLN 11 2HG GLN 11 0.984 8.169 8.169
90 2HG GLN 11 1HG GLN 11 2.744 8.437 8.437
91 1HE2 GLN 11 2HE2 GLN 11 3.830 6.462 6.462
92 2HE2 GLN 11 1HE2 GLN 11 4.260 7.785 7.785
93 H ASP 12 H ASP 12 3.651 11.285 11.285
94 HA ASP 12 HA ASP 12 6.251 11.434 11.434
95 1HB ASP 12 2HB ASP 12 5.457 10.351 10.351
96 2HB ASP 12 1HB ASP 12 5.636 11.996 11.996
97 H ALA 13 H ALA 13 3.655 13.620 13.620
98 HA ALA 13 HA ALA 13 5.463 15.961 15.961
99 1HB ALA 13 3HB ALA 13 2.579 15.811 15.811
100 2HB ALA 13 2HB ALA 13 3.493 17.351 17.351
101 3HB ALA 13 1HB ALA 13 4.100 16.174 16.174
102 H GLU 14 H GLU 14 2.998 14.028 14.028
103 HA GLU 14 HA GLU 14 2.109 15.968 15.968
104 1HB GLU 14 2HB GLU 14 0.963 13.842 13.842
105 2HB GLU 14 1HB GLU 14 1.920 12.910 12.910
106 1HG GLU 14 2HG GLU 14 0.717 14.176 14.176
107 2HG GLU 14 1HG GLU 14 -0.212 15.048 15.048
108 H GLN 15 H GLN 15 4.505 13.245 13.245
109 HA GLN 15 HA GLN 15 4.969 13.604 13.604
110 1HB GLN 15 2HB GLN 15 5.118 11.470 11.470
111 2HB GLN 15 1HB GLN 15 6.849 11.859 11.859
112 1HG GLN 15 2HG GLN 15 5.148 11.510 11.510
113 2HG GLN 15 1HG GLN 15 6.035 10.193 10.193
114 1HE2 GLN 15 2HE2 GLN 15 8.168 12.717 12.717
115 2HE2 GLN 15 1HE2 GLN 15 6.535 13.094 13.094
116 H ALA 16 H ALA 16 6.600 14.608 14.608
117 HA ALA 16 HA ALA 16 9.012 15.536 15.536
118 1HB ALA 16 1HB ALA 16 8.908 14.668 14.668
119 2HB ALA 16 3HB ALA 16 7.825 16.008 16.008
120 3HB ALA 16 2HB ALA 16 9.525 16.349 16.349
121 H ALA 17 H ALA 17 5.869 16.791 16.791
122 HA ALA 17 HA ALA 17 6.602 19.561 19.561
123 1HB ALA 17 1HB ALA 17 4.640 19.031 19.031
124 2HB ALA 17 3HB ALA 17 3.819 18.191 18.191
125 3HB ALA 17 2HB ALA 17 4.117 19.973 19.973
126 H LYS 18 H LYS 18 6.068 16.663 16.663
127 HA LYS 18 HA LYS 18 5.009 18.082 18.082
128 1HB LYS 18 2HB LYS 18 4.113 15.788 15.788
129 2HB LYS 18 1HB LYS 18 5.644 15.086 15.086
130 1HG LYS 18 2HG LYS 18 4.860 16.686 16.686
131 2HG LYS 18 1HG LYS 18 3.267 16.281 16.281
132 1HD LYS 18 2HD LYS 18 3.865 13.841 13.841
133 2HD LYS 18 1HD LYS 18 5.500 14.325 14.325
134 1HE LYS 18 2HE LYS 18 4.439 15.459 15.459
135 2HE LYS 18 1HE LYS 18 2.802 14.967 14.967
136 1HZ LYS 18 2HZ LYS 18 3.615 12.680 12.680
137 2HZ LYS 18 1HZ LYS 18 5.035 13.176 13.176
138 3HZ LYS 18 3HZ LYS 18 3.535 13.368 13.368
139 H ASP 19 H ASP 19 7.959 16.231 16.231
140 HA ASP 19 HA ASP 19 9.308 17.096 17.096
141 1HB ASP 19 2HB ASP 19 10.175 15.072 15.072
142 2HB ASP 19 1HB ASP 19 11.284 15.699 15.699
143 H ALA 20 H ALA 20 8.433 18.761 18.761
144 HA ALA 20 HA ALA 20 10.818 20.385 20.385
145 1HB ALA 20 3HB ALA 20 9.319 20.087 20.087
146 2HB ALA 20 2HB ALA 20 7.950 20.839 20.839
147 3HB ALA 20 1HB ALA 20 9.421 21.802 21.802
148 H GLU 21 H GLU 21 7.635 20.399 20.399
149 HA GLU 21 HA GLU 21 7.948 23.104 23.104
150 1HB GLU 21 2HB GLU 21 5.866 22.912 22.912
151 2HB GLU 21 1HB GLU 21 5.615 21.995 21.995
152 1HG GLU 21 2HG GLU 21 5.735 19.839 19.839
153 2HG GLU 21 1HG GLU 21 6.211 20.624 20.624
154 H ASN 22 H ASN 22 8.663 19.921 19.921
155 HA ASN 22 HA ASN 22 8.395 20.049 20.049
156 1HB ASN 22 2HB ASN 22 9.749 18.030 18.030
157 2HB ASN 22 1HB ASN 22 9.845 17.764 17.764
158 1HD2 ASN 22 2HD2 ASN 22 6.872 15.862 15.862
159 2HD2 ASN 22 1HD2 ASN 22 8.547 15.824 15.824
160 H ALA 23 H ALA 23 11.076 21.023 21.023
161 HA ALA 23 HA ALA 23 13.010 21.011 21.011
162 1HB ALA 23 2HB ALA 23 13.748 20.673 20.673
163 2HB ALA 23 1HB ALA 23 13.209 22.327 22.327
164 3HB ALA 23 3HB ALA 23 14.559 22.093 22.093
165 H SER 24 H SER 24 10.690 23.370 23.370
166 HA SER 24 HA SER 24 11.726 25.557 25.557
167 1HB SER 24 2HB SER 24 9.322 25.540 25.540
168 2HB SER 24 1HB SER 24 10.106 26.979 26.979
169 HG SER 24 HG SER 24 11.389 26.946 26.946
170 H LYS 25 H LYS 25 9.320 23.038 23.038
171 HA LYS 25 HA LYS 25 7.869 24.244 24.244
172 1HB LYS 25 2HB LYS 25 8.335 21.394 21.394
173 2HB LYS 25 1HB LYS 25 7.453 21.593 21.593
174 1HG LYS 25 2HG LYS 25 6.533 22.814 22.814
175 2HG LYS 25 1HG LYS 25 5.899 21.319 21.319
176 1HD LYS 25 2HD LYS 25 5.536 22.691 22.691
177 2HD LYS 25 1HD LYS 25 5.823 24.174 24.174
178 1HE LYS 25 2HE LYS 25 3.513 22.134 22.134
179 2HE LYS 25 1HE LYS 25 3.403 23.843 23.843
180 1HZ LYS 25 1HZ LYS 25 4.485 24.406 24.406
181 2HZ LYS 25 3HZ LYS 25 4.013 22.831 22.831
182 3HZ LYS 25 2HZ LYS 25 2.850 23.929 23.929
183 H GLU 26 H GLU 26 10.707 22.069 22.069
184 HA GLU 26 HA GLU 26 11.312 22.240 22.240
185 1HB GLU 26 2HB GLU 26 13.197 21.612 21.612
186 2HB GLU 26 1HB GLU 26 13.563 21.302 21.302
187 1HG GLU 26 2HG GLU 26 11.860 19.551 19.551
188 2HG GLU 26 1HG GLU 26 11.275 19.912 19.912
189 H ALA 27 H ALA 27 12.968 23.882 23.882
190 HA ALA 27 HA ALA 27 14.307 25.649 25.649
191 1HB ALA 27 1HB ALA 27 15.611 24.629 24.629
192 2HB ALA 27 3HB ALA 27 14.579 25.407 25.407
193 3HB ALA 27 2HB ALA 27 15.611 26.412 26.412
194 H GLU 28 H GLU 28 11.560 25.977 25.977
195 HA GLU 28 HA GLU 28 10.917 28.649 28.649
196 1HB GLU 28 2HB GLU 28 9.074 26.803 26.803
197 2HB GLU 28 1HB GLU 28 9.434 26.855 26.855
198 1HG GLU 28 2HG GLU 28 8.800 29.538 29.538
199 2HG GLU 28 1HG GLU 28 7.966 28.837 28.837
200 H GLU 29 H GLU 29 12.020 26.841 26.841
201 HA GLU 29 HA GLU 29 10.788 28.279 28.279
202 1HB GLU 29 2HB GLU 29 11.379 25.863 25.863
203 2HB GLU 29 1HB GLU 29 13.105 26.266 26.266
204 1HG GLU 29 2HG GLU 29 12.612 27.257 27.257
205 2HG GLU 29 1HG GLU 29 10.851 27.093 27.093
206 H ALA 30 H ALA 30 13.570 29.349 29.349
207 HA ALA 30 HA ALA 30 14.580 30.885 30.885
208 1HB ALA 30 2HB ALA 30 16.312 29.911 29.911
209 2HB ALA 30 1HB ALA 30 15.656 30.793 30.793
210 3HB ALA 30 3HB ALA 30 16.386 31.699 31.699
211 H ALA 31 H ALA 31 12.451 31.203 31.203
212 HA ALA 31 HA ALA 31 12.232 34.108 34.108
213 1HB ALA 31 3HB ALA 31 10.985 32.188 32.188
214 2HB ALA 31 2HB ALA 31 10.733 33.965 33.965
215 3HB ALA 31 1HB ALA 31 12.365 33.307 33.307
216 H LYS 32 H LYS 32 10.080 31.286 31.286
217 HA LYS 32 HA LYS 32 8.348 30.571 30.571
218 1HB LYS 32 2HB LYS 32 9.516 31.404 31.404
219 2HB LYS 32 1HB LYS 32 8.201 32.594 32.594
220 1HG LYS 32 2HG LYS 32 7.355 30.764 30.764
221 2HG LYS 32 1HG LYS 32 6.671 30.368 30.368
222 1HD LYS 32 2HD LYS 32 8.841 28.974 28.974
223 2HD LYS 32 1HD LYS 32 9.207 29.228 29.228
224 1HE LYS 32 2HE LYS 32 8.282 27.019 27.019
225 2HE LYS 32 1HE LYS 32 7.004 27.965 27.965
226 1HZ LYS 32 3HZ LYS 32 6.945 27.954 27.954
227 2HZ LYS 32 2HZ LYS 32 6.603 26.467 26.467
228 3HZ LYS 32 1HZ LYS 32 5.647 27.853 27.853
229 H GLU 33 H GLU 33 7.387 31.343 31.343
230 HA GLU 33 HA GLU 33 5.978 33.835 33.835
231 1HB GLU 33 2HB GLU 33 6.442 31.648 31.648
232 2HB GLU 33 1HB GLU 33 5.521 33.151 33.151
233 1HG GLU 33 2HG GLU 33 7.342 34.583 34.583
234 2HG GLU 33 1HG GLU 33 8.273 33.495 33.495
235 H ALA 34 H ALA 34 4.973 32.023 32.023
236 HA ALA 34 HA ALA 34 2.094 32.100 32.100
237 1HB ALA 34 3HB ALA 34 2.798 30.048 30.048
238 2HB ALA 34 2HB ALA 34 3.546 31.058 31.058
239 3HB ALA 34 1HB ALA 34 1.757 31.087 31.087
240 H VAL 35 H VAL 35 4.870 33.578 33.578
241 HA VAL 35 HA VAL 35 3.040 35.488 35.488
242 HB VAL 35 HB VAL 35 4.693 35.533 35.533
243 1HG1 VAL 35 1HG1 VAL 35 2.557 34.180 34.180
244 2HG1 VAL 35 3HG1 VAL 35 3.466 32.767 32.767
245 3HG1 VAL 35 2HG1 VAL 35 3.881 33.420 33.420
246 1HG2 VAL 35 1HG2 VAL 35 6.720 34.556 34.556
247 2HG2 VAL 35 3HG2 VAL 35 6.327 33.681 33.681
248 3HG2 VAL 35 2HG2 VAL 35 5.857 32.972 32.972
249 H ASN 36 H ASN 36 4.759 35.391 35.391
250 HA ASN 36 HA ASN 36 5.345 38.187 38.187
251 1HB ASN 36 2HB ASN 36 7.706 37.205 37.205
252 2HB ASN 36 1HB ASN 36 7.419 36.101 36.101
253 1HD2 ASN 36 2HD2 ASN 36 8.616 38.714 38.714
254 2HD2 ASN 36 1HD2 ASN 36 8.968 37.130 37.130
255 H LEU 37 H LEU 37 4.873 38.878 38.878
256 HA LEU 37 HA LEU 37 4.162 37.155 37.155
257 1HB LEU 37 2HB LEU 37 1.944 38.195 38.195
258 2HB LEU 37 1HB LEU 37 1.687 38.598 38.598
259 HG LEU 37 HG LEU 37 0.413 36.806 36.806
260 1HD1 LEU 37 3HD1 LEU 37 1.757 36.811 36.811
261 2HD1 LEU 37 2HD1 LEU 37 2.898 35.626 35.626
262 3HD1 LEU 37 1HD1 LEU 37 1.177 35.168 35.168
263 1HD2 LEU 37 1HD2 LEU 37 1.471 35.851 35.851
264 2HD2 LEU 37 3HD2 LEU 37 0.789 34.679 34.679
265 3HD2 LEU 37 2HD2 LEU 37 2.560 34.904 34.904
266 H LYS 38 HN LYS 38 6.262 39.079 39.079
267 HA LYS 38 HA LYS 38 5.493 41.164 41.164
268 1HB LYS 38 2HB LYS 38 6.542 41.658 41.658
269 2HB LYS 38 1HB LYS 38 6.839 42.792 42.792
270 1HG LYS 38 2HG LYS 38 4.457 43.063 43.063
271 2HG LYS 38 1HG LYS 38 4.050 42.081 42.081
272 1HD LYS 38 2HD LYS 38 5.073 43.627 43.627
273 2HD LYS 38 1HD LYS 38 5.914 44.520 44.520
274 1HE LYS 38 2HE LYS 38 2.848 44.512 44.512
275 2HE LYS 38 1HE LYS 38 4.000 45.854 45.854
276 1HZ LYS 38 1HZ LYS 38 4.600 45.876 45.876
277 2HZ LYS 38 3HZ LYS 38 3.371 44.751 44.751
278 3HZ LYS 38 2HZ LYS 38 2.976 46.305 46.305
Start of MODEL 2
1 1H GLU 1 1H GLU 1 7.382 3.453 3.453
2 2H GLU 1 3H GLU 1 6.518 4.840 4.840
3 3H GLU 1 2H GLU 1 8.043 4.982 4.982
4 HA GLU 1 HA GLU 1 6.416 5.473 5.473
5 1HB GLU 1 2HB GLU 1 4.914 3.135 3.135
6 2HB GLU 1 1HB GLU 1 4.385 3.697 3.697
7 1HG GLU 1 2HG GLU 1 3.121 5.217 5.217
8 2HG GLU 1 1HG GLU 1 4.634 6.163 6.163
9 H ALA 2 H ALA 2 8.866 3.176 3.176
10 HA ALA 2 HA ALA 2 8.185 3.081 3.081
11 1HB ALA 2 2HB ALA 2 8.719 0.438 0.438
12 2HB ALA 2 1HB ALA 2 8.627 0.640 0.640
13 3HB ALA 2 3HB ALA 2 7.177 0.919 0.919
14 H TYR 3 H TYR 3 9.919 3.901 3.901
15 HA TYR 3 HA TYR 3 12.585 3.243 3.243
16 1HB TYR 3 2HB TYR 3 13.236 5.568 5.568
17 2HB TYR 3 1HB TYR 3 11.825 5.194 5.194
18 HD1 TYR 3 HD2 TYR 3 9.431 5.976 5.976
19 HD2 TYR 3 HD1 TYR 3 13.213 7.455 7.455
20 HE1 TYR 3 HE2 TYR 3 8.291 7.894 7.894
21 HE2 TYR 3 HE1 TYR 3 12.071 9.386 9.386
22 HH TYR 3 HH TYR 3 8.537 9.789 9.789
23 H LYS 4 H LYS 4 10.585 3.242 3.242
24 HA LYS 4 HA LYS 4 10.851 3.195 3.195
25 1HB LYS 4 2HB LYS 4 13.050 5.333 5.333
26 2HB LYS 4 1HB LYS 4 12.364 4.651 4.651
27 1HG LYS 4 2HG LYS 4 13.277 2.516 2.516
28 2HG LYS 4 1HG LYS 4 13.814 2.828 2.828
29 1HD LYS 4 2HD LYS 4 14.855 4.619 4.619
30 2HD LYS 4 1HD LYS 4 15.485 2.956 2.956
31 1HE LYS 4 2HE LYS 4 16.963 4.618 4.618
32 2HE LYS 4 1HE LYS 4 16.354 3.318 3.318
33 1HZ LYS 4 3HZ LYS 4 15.226 6.080 6.080
34 2HZ LYS 4 2HZ LYS 4 16.299 5.527 5.527
35 3HZ LYS 4 1HZ LYS 4 14.722 4.883 4.883
36 H LYS 5 H LYS 5 9.634 4.503 4.503
37 HA LYS 5 HA LYS 5 8.401 6.015 6.015
38 1HB LYS 5 2HB LYS 5 10.381 7.594 7.594
39 2HB LYS 5 1HB LYS 5 9.164 8.301 8.301
40 1HG LYS 5 2HG LYS 5 8.544 9.566 9.566
41 2HG LYS 5 1HG LYS 5 7.836 8.078 8.078
42 1HD LYS 5 2HD LYS 5 10.344 7.613 7.613
43 2HD LYS 5 1HD LYS 5 10.597 9.345 9.345
44 1HE LYS 5 2HE LYS 5 8.750 8.014 8.014
45 2HE LYS 5 1HE LYS 5 10.108 9.190 9.190
46 1HZ LYS 5 1HZ LYS 5 8.361 10.597 10.597
47 2HZ LYS 5 3HZ LYS 5 7.357 9.548 9.548
48 3HZ LYS 5 2HZ LYS 5 8.361 10.594 10.594
49 H ALA 6 H ALA 6 7.854 4.778 4.778
50 HA ALA 6 HA ALA 6 5.845 6.367 6.367
51 1HB ALA 6 3HB ALA 6 7.540 5.101 5.101
52 2HB ALA 6 2HB ALA 6 6.941 3.549 3.549
53 3HB ALA 6 1HB ALA 6 5.897 4.515 4.515
54 H LYS 7 H LYS 7 4.742 6.240 6.240
55 HA LYS 7 HA LYS 7 2.613 4.240 4.240
56 1HB LYS 7 2HB LYS 7 3.520 6.619 6.619
57 2HB LYS 7 1HB LYS 7 2.153 5.532 5.532
58 1HG LYS 7 2HG LYS 7 4.748 4.072 4.072
59 2HG LYS 7 1HG LYS 7 4.900 5.398 5.398
60 1HD LYS 7 2HD LYS 7 2.927 3.044 3.044
61 2HD LYS 7 1HD LYS 7 4.376 3.292 3.292
62 1HE LYS 7 2HE LYS 7 1.775 4.981 4.981
63 2HE LYS 7 1HE LYS 7 2.358 3.820 3.820
64 1HZ LYS 7 2HZ LYS 7 4.327 5.379 5.379
65 2HZ LYS 7 1HZ LYS 7 3.605 6.487 6.487
66 3HZ LYS 7 3HZ LYS 7 2.801 6.012 6.012
67 H GLN 8 H GLN 8 0.336 5.123 5.123
68 HA GLN 8 HA GLN 8 0.021 7.660 7.660
69 1HB GLN 8 2HB GLN 8 -1.607 5.050 5.050
70 2HB GLN 8 1HB GLN 8 -1.958 6.592 6.592
71 1HG GLN 8 2HG GLN 8 0.554 4.845 4.845
72 2HG GLN 8 1HG GLN 8 -0.993 4.770 4.770
73 1HE2 GLN 8 2HE2 GLN 8 1.064 7.026 7.026
74 2HE2 GLN 8 1HE2 GLN 8 1.263 5.391 5.391
75 H ALA 9 H ALA 9 -0.061 7.318 7.318
76 HA ALA 9 HA ALA 9 -2.927 7.606 7.606
77 1HB ALA 9 1HB ALA 9 -1.674 5.917 5.917
78 2HB ALA 9 3HB ALA 9 -0.618 7.205 7.205
79 3HB ALA 9 2HB ALA 9 -2.393 7.198 7.198
80 H SER 10 H SER 10 -0.446 9.587 9.587
81 HA SER 10 HA SER 10 0.144 11.609 11.609
82 1HB SER 10 2HB SER 10 -2.664 12.515 12.515
83 2HB SER 10 1HB SER 10 -1.389 13.401 13.401
84 HG SER 10 HG SER 10 -3.193 11.873 11.873
85 H GLN 11 H GLN 11 0.587 10.308 10.308
86 HA GLN 11 HA GLN 11 1.055 12.506 12.506
87 1HB GLN 11 2HB GLN 11 1.829 10.567 10.567
88 2HB GLN 11 1HB GLN 11 0.157 10.507 10.507
89 1HG GLN 11 2HG GLN 11 1.020 8.829 8.829
90 2HG GLN 11 1HG GLN 11 2.571 8.825 8.825
91 1HE2 GLN 11 2HE2 GLN 11 -0.686 7.437 7.437
92 2HE2 GLN 11 1HE2 GLN 11 -0.877 8.829 8.829
93 H ASP 12 H ASP 12 2.421 10.565 10.565
94 HA ASP 12 HA ASP 12 5.227 11.144 11.144
95 1HB ASP 12 2HB ASP 12 3.694 8.974 8.974
96 2HB ASP 12 1HB ASP 12 5.421 9.236 9.236
97 H ALA 13 H ALA 13 2.737 11.312 11.312
98 HA ALA 13 HA ALA 13 4.507 12.197 12.197
99 1HB ALA 13 1HB ALA 13 1.470 11.568 11.568
100 2HB ALA 13 3HB ALA 13 2.439 11.835 11.835
101 3HB ALA 13 2HB ALA 13 2.778 10.427 10.427
102 H GLU 14 H GLU 14 2.383 13.627 13.627
103 HA GLU 14 HA GLU 14 2.012 16.163 16.163
104 1HB GLU 14 2HB GLU 14 0.295 14.753 14.753
105 2HB GLU 14 1HB GLU 14 1.085 15.297 15.297
106 1HG GLU 14 2HG GLU 14 -0.130 17.108 17.108
107 2HG GLU 14 1HG GLU 14 -1.052 16.463 16.463
108 H GLN 15 H GLN 15 3.948 14.452 14.452
109 HA GLN 15 HA GLN 15 5.068 16.801 16.801
110 1HB GLN 15 2HB GLN 15 4.443 15.032 15.032
111 2HB GLN 15 1HB GLN 15 5.233 13.803 13.803
112 1HG GLN 15 2HG GLN 15 6.359 14.280 14.280
113 2HG GLN 15 1HG GLN 15 7.364 14.248 14.248
114 1HE2 GLN 15 2HE2 GLN 15 8.896 17.242 17.242
115 2HE2 GLN 15 1HE2 GLN 15 8.919 15.829 15.829
116 H ALA 16 H ALA 16 6.094 14.270 14.270
117 HA ALA 16 HA ALA 16 8.773 14.961 14.961
118 1HB ALA 16 3HB ALA 16 7.683 12.868 12.868
119 2HB ALA 16 2HB ALA 16 7.005 13.885 13.885
120 3HB ALA 16 1HB ALA 16 8.785 13.696 13.696
121 H ALA 17 H ALA 17 6.073 16.738 16.738
122 HA ALA 17 HA ALA 17 7.425 18.511 18.511
123 1HB ALA 17 3HB ALA 17 5.040 17.860 17.860
124 2HB ALA 17 2HB ALA 17 4.504 18.575 18.575
125 3HB ALA 17 1HB ALA 17 5.183 19.625 19.625
126 H LYS 18 H LYS 18 6.911 18.315 18.315
127 HA LYS 18 HA LYS 18 6.889 21.229 21.229
128 1HB LYS 18 2HB LYS 18 6.957 18.929 18.929
129 2HB LYS 18 1HB LYS 18 6.714 20.673 20.673
130 1HG LYS 18 2HG LYS 18 4.769 18.980 18.980
131 2HG LYS 18 1HG LYS 18 4.812 19.081 19.081
132 1HD LYS 18 2HD LYS 18 4.551 21.588 21.588
133 2HD LYS 18 1HD LYS 18 4.152 21.341 21.341
134 1HE LYS 18 2HE LYS 18 2.644 19.413 19.413
135 2HE LYS 18 1HE LYS 18 2.435 21.066 21.066
136 1HZ LYS 18 2HZ LYS 18 2.160 20.952 20.952
137 2HZ LYS 18 1HZ LYS 18 1.022 19.939 19.939
138 3HZ LYS 18 3HZ LYS 18 1.095 21.599 21.599
139 H ASP 19 H ASP 19 9.118 18.764 18.764
140 HA ASP 19 HA ASP 19 10.883 19.062 19.062
141 1HB ASP 19 2HB ASP 19 10.486 17.275 17.275
142 2HB ASP 19 1HB ASP 19 12.117 17.876 17.876
143 H ALA 20 H ALA 20 10.609 21.416 21.416
144 HA ALA 20 HA ALA 20 13.366 22.414 22.414
145 1HB ALA 20 2HB ALA 20 12.137 22.690 22.690
146 2HB ALA 20 1HB ALA 20 10.857 23.644 23.644
147 3HB ALA 20 3HB ALA 20 12.540 24.291 24.291
148 H GLU 21 H GLU 21 10.075 22.912 22.912
149 HA GLU 21 HA GLU 21 10.586 25.376 25.376
150 1HB GLU 21 2HB GLU 21 8.051 23.556 23.556
151 2HB GLU 21 1HB GLU 21 8.159 25.064 25.064
152 1HG GLU 21 2HG GLU 21 8.453 26.373 26.373
153 2HG GLU 21 1HG GLU 21 8.068 24.868 24.868
154 H ASN 22 H ASN 22 10.705 22.044 22.044
155 HA ASN 22 HA ASN 22 9.968 21.587 21.587
156 1HB ASN 22 2HB ASN 22 10.213 20.041 20.041
157 2HB ASN 22 1HB ASN 22 11.700 19.458 19.458
158 1HD2 ASN 22 2HD2 ASN 22 7.849 18.677 18.677
159 2HD2 ASN 22 1HD2 ASN 22 8.192 19.964 19.964
160 H ALA 23 H ALA 23 13.031 22.537 22.537
161 HA ALA 23 HA ALA 23 14.638 21.788 21.788
162 1HB ALA 23 1HB ALA 23 15.600 22.555 22.555
163 2HB ALA 23 3HB ALA 23 15.070 24.235 24.235
164 3HB ALA 23 2HB ALA 23 16.297 23.462 23.462
165 H SER 24 H SER 24 12.840 24.908 24.908
166 HA SER 24 HA SER 24 13.564 25.719 25.719
167 1HB SER 24 2HB SER 24 13.947 27.384 27.384
168 2HB SER 24 1HB SER 24 12.174 27.457 27.457
169 HG SER 24 HG SER 24 12.146 28.070 28.070
170 H LYS 25 H LYS 25 11.349 23.786 23.786
171 HA LYS 25 HA LYS 25 8.888 24.811 24.811
172 1HB LYS 25 2HB LYS 25 8.681 23.436 23.436
173 2HB LYS 25 1HB LYS 25 9.867 22.243 22.243
174 1HG LYS 25 2HG LYS 25 7.187 22.374 22.374
175 2HG LYS 25 1HG LYS 25 7.309 21.662 21.662
176 1HD LYS 25 2HD LYS 25 8.753 19.926 19.926
177 2HD LYS 25 1HD LYS 25 9.322 20.649 20.649
178 1HE LYS 25 2HE LYS 25 6.449 19.552 19.552
179 2HE LYS 25 1HE LYS 25 7.850 18.666 18.666
180 1HZ LYS 25 3HZ LYS 25 7.983 20.931 20.931
181 2HZ LYS 25 2HZ LYS 25 6.321 20.933 20.933
182 3HZ LYS 25 1HZ LYS 25 7.047 19.630 19.630
183 H GLU 26 H GLU 26 11.562 22.874 22.874
184 HA GLU 26 HA GLU 26 10.138 21.858 21.858
185 1HB GLU 26 2HB GLU 26 11.896 20.593 20.593
186 2HB GLU 26 1HB GLU 26 13.144 21.700 21.700
187 1HG GLU 26 2HG GLU 26 13.100 19.569 19.569
188 2HG GLU 26 1HG GLU 26 12.631 20.866 20.866
189 H ALA 27 H ALA 27 12.463 24.379 24.379
190 HA ALA 27 HA ALA 27 13.227 25.006 25.006
191 1HB ALA 27 2HB ALA 27 14.677 25.424 25.424
192 2HB ALA 27 1HB ALA 27 13.580 26.734 26.734
193 3HB ALA 27 3HB ALA 27 14.469 26.887 26.887
194 H GLU 28 H GLU 28 10.641 26.180 26.180
195 HA GLU 28 HA GLU 28 10.122 28.649 28.649
196 1HB GLU 28 2HB GLU 28 9.266 27.812 27.812
197 2HB GLU 28 1HB GLU 28 8.127 26.736 26.736
198 1HG GLU 28 2HG GLU 28 7.061 28.897 28.897
199 2HG GLU 28 1HG GLU 28 8.180 29.844 29.844
200 H GLU 29 H GLU 29 8.068 25.731 25.731
201 HA GLU 29 HA GLU 29 6.567 27.005 27.005
202 1HB GLU 29 2HB GLU 29 6.915 24.081 24.081
203 2HB GLU 29 1HB GLU 29 6.116 24.452 24.452
204 1HG GLU 29 2HG GLU 29 4.435 25.896 25.896
205 2HG GLU 29 1HG GLU 29 5.047 25.228 25.228
206 H ALA 30 H ALA 30 9.608 25.470 25.470
207 HA ALA 30 HA ALA 30 9.848 24.790 24.790
208 1HB ALA 30 2HB ALA 30 11.754 24.665 24.665
209 2HB ALA 30 1HB ALA 30 12.136 23.929 23.929
210 3HB ALA 30 3HB ALA 30 10.738 23.343 23.343
211 H ALA 31 H ALA 31 11.473 27.192 27.192
212 HA ALA 31 HA ALA 31 12.568 28.622 28.622
213 1HB ALA 31 2HB ALA 31 14.095 28.270 28.270
214 2HB ALA 31 1HB ALA 31 12.963 29.077 29.077
215 3HB ALA 31 3HB ALA 31 13.744 30.016 30.016
216 H LYS 32 H LYS 32 9.691 28.407 28.407
217 HA LYS 32 HA LYS 32 8.941 31.252 31.252
218 1HB LYS 32 2HB LYS 32 7.229 28.767 28.767
219 2HB LYS 32 1HB LYS 32 6.515 30.247 30.247
220 1HG LYS 32 2HG LYS 32 6.970 31.643 31.643
221 2HG LYS 32 1HG LYS 32 8.054 30.432 30.432
222 1HD LYS 32 2HD LYS 32 6.298 30.119 30.119
223 2HD LYS 32 1HD LYS 32 5.920 28.870 28.870
224 1HE LYS 32 2HE LYS 32 4.636 31.676 31.676
225 2HE LYS 32 1HE LYS 32 3.887 30.096 30.096
226 1HZ LYS 32 1HZ LYS 32 3.947 29.506 29.506
227 2HZ LYS 32 3HZ LYS 32 4.588 31.118 31.118
228 3HZ LYS 32 2HZ LYS 32 3.059 30.894 30.894
229 H GLU 33 H GLU 33 7.659 28.556 28.556
230 HA GLU 33 HA GLU 33 7.476 30.029 30.029
231 1HB GLU 33 2HB GLU 33 6.778 27.201 27.201
232 2HB GLU 33 1HB GLU 33 6.983 27.521 27.521
233 1HG GLU 33 2HG GLU 33 5.431 29.549 29.549
234 2HG GLU 33 1HG GLU 33 4.939 28.853 28.853
235 H ALA 34 H ALA 34 10.080 27.944 27.944
236 HA ALA 34 HA ALA 34 11.244 27.843 27.843
237 1HB ALA 34 3HB ALA 34 11.206 25.759 25.759
238 2HB ALA 34 2HB ALA 34 12.395 26.530 26.530
239 3HB ALA 34 1HB ALA 34 12.834 26.205 26.205
240 H VAL 35 H VAL 35 11.347 30.285 30.285
241 HA VAL 35 HA VAL 35 14.151 30.971 30.971
242 HB VAL 35 HB VAL 35 12.890 31.078 31.078
243 1HG1 VAL 35 3HG1 VAL 35 15.462 32.483 32.483
244 2HG1 VAL 35 2HG1 VAL 35 15.055 32.174 32.174
245 3HG1 VAL 35 1HG1 VAL 35 14.032 33.269 33.269
246 1HG2 VAL 35 3HG2 VAL 35 13.968 28.902 28.902
247 2HG2 VAL 35 2HG2 VAL 35 14.939 29.758 29.758
248 3HG2 VAL 35 1HG2 VAL 35 15.451 29.780 29.780
249 H ASN 36 H ASN 36 11.150 32.235 32.235
250 HA ASN 36 HA ASN 36 11.786 34.843 34.843
251 1HB ASN 36 2HB ASN 36 10.731 36.036 36.036
252 2HB ASN 36 1HB ASN 36 11.810 34.896 34.896
253 1HD2 ASN 36 2HD2 ASN 36 8.738 33.216 33.216
254 2HD2 ASN 36 1HD2 ASN 36 10.489 33.044 33.044
255 H LEU 37 H LEU 37 9.226 32.424 32.424
256 HA LEU 37 HA LEU 37 8.016 31.746 31.746
257 1HB LEU 37 2HB LEU 37 8.928 33.613 33.613
258 2HB LEU 37 1HB LEU 37 7.315 34.334 34.334
259 HG LEU 37 HG LEU 37 6.737 31.642 31.642
260 1HD1 LEU 37 2HD1 LEU 37 9.184 31.123 31.123
261 2HD1 LEU 37 1HD1 LEU 37 9.268 32.342 32.342
262 3HD1 LEU 37 3HD1 LEU 37 8.232 30.882 30.882
263 1HD2 LEU 37 1HD2 LEU 37 5.793 33.746 33.746
264 2HD2 LEU 37 3HD2 LEU 37 6.138 32.456 32.456
265 3HD2 LEU 37 2HD2 LEU 37 7.263 33.860 33.860
266 H LYS 38 HN LYS 38 7.453 33.550 33.550
267 HA LYS 38 HA LYS 38 4.572 33.275 33.275
268 1HB LYS 38 2HB LYS 38 6.158 35.573 35.573
269 2HB LYS 38 1HB LYS 38 4.459 35.180 35.180
270 1HG LYS 38 2HG LYS 38 4.418 37.112 37.112
271 2HG LYS 38 1HG LYS 38 3.853 35.710 35.710
272 1HD LYS 38 2HD LYS 38 5.204 37.240 37.240
273 2HD LYS 38 1HD LYS 38 6.041 35.682 35.682
274 1HE LYS 38 2HE LYS 38 7.225 37.036 37.036
275 2HE LYS 38 1HE LYS 38 6.672 38.455 38.455
276 1HZ LYS 38 3HZ LYS 38 7.959 37.482 37.482
277 2HZ LYS 38 2HZ LYS 38 8.600 36.289 36.289
278 3HZ LYS 38 1HZ LYS 38 8.879 37.909 37.909
Start of MODEL 3
1 1H GLU 1 3H GLU 1 1.186 3.125 3.125
2 2H GLU 1 2H GLU 1 2.168 2.717 2.717
3 3H GLU 1 1H GLU 1 2.343 1.874 1.874
4 HA GLU 1 HA GLU 1 0.147 0.979 0.979
5 1HB GLU 1 2HB GLU 1 1.704 0.684 0.684
6 2HB GLU 1 1HB GLU 1 0.462 -0.461 -0.461
7 1HG GLU 1 2HG GLU 1 1.884 -1.096 -1.096
8 2HG GLU 1 1HG GLU 1 3.198 0.028 0.028
9 H ALA 2 H ALA 2 -0.405 0.970 0.970
10 HA ALA 2 HA ALA 2 -2.156 3.325 3.325
11 1HB ALA 2 1HB ALA 2 -2.103 0.812 0.812
12 2HB ALA 2 3HB ALA 2 -3.302 2.160 2.160
13 3HB ALA 2 2HB ALA 2 -3.238 1.125 1.125
14 H TYR 3 H TYR 3 0.119 4.543 4.543
15 HA TYR 3 HA TYR 3 0.061 5.712 5.712
16 1HB TYR 3 2HB TYR 3 2.351 5.469 5.469
17 2HB TYR 3 1HB TYR 3 1.501 3.901 3.901
18 HD1 TYR 3 HD2 TYR 3 2.126 2.067 2.067
19 HD2 TYR 3 HD1 TYR 3 4.353 5.726 5.726
20 HE1 TYR 3 HE2 TYR 3 3.987 1.063 1.063
21 HE2 TYR 3 HE1 TYR 3 6.209 4.748 4.748
22 HH TYR 3 HH TYR 3 6.114 1.408 1.408
23 H LYS 4 H LYS 4 2.127 7.456 7.456
24 HA LYS 4 HA LYS 4 2.396 8.066 8.066
25 1HB LYS 4 2HB LYS 4 0.780 9.681 9.681
26 2HB LYS 4 1HB LYS 4 1.581 10.581 10.581
27 1HG LYS 4 2HG LYS 4 -0.465 8.419 8.419
28 2HG LYS 4 1HG LYS 4 -0.790 10.169 10.169
29 1HD LYS 4 2HD LYS 4 0.872 10.724 10.724
30 2HD LYS 4 1HD LYS 4 1.019 8.974 8.974
31 1HE LYS 4 2HE LYS 4 -1.398 8.898 8.898
32 2HE LYS 4 1HE LYS 4 -1.635 10.600 10.600
33 1HZ LYS 4 1HZ LYS 4 0.145 9.760 9.760
34 2HZ LYS 4 3HZ LYS 4 -1.391 10.461 10.461
35 3HZ LYS 4 2HZ LYS 4 -0.115 11.349 11.349
36 H LYS 5 H LYS 5 3.041 10.827 10.827
37 HA LYS 5 HA LYS 5 5.393 9.974 9.974
38 1HB LYS 5 2HB LYS 5 5.163 12.285 12.285
39 2HB LYS 5 1HB LYS 5 6.233 12.444 12.444
40 1HG LYS 5 2HG LYS 5 7.452 10.444 10.444
41 2HG LYS 5 1HG LYS 5 6.471 10.160 10.160
42 1HD LYS 5 2HD LYS 5 7.307 12.150 12.150
43 2HD LYS 5 1HD LYS 5 8.063 12.777 12.777
44 1HE LYS 5 2HE LYS 5 8.972 10.200 10.200
45 2HE LYS 5 1HE LYS 5 9.738 11.828 11.828
46 1HZ LYS 5 3HZ LYS 5 9.542 10.320 10.320
47 2HZ LYS 5 2HZ LYS 5 10.915 10.431 10.431
48 3HZ LYS 5 1HZ LYS 5 10.311 11.819 11.819
49 H ALA 6 H ALA 6 2.567 10.134 10.134
50 HA ALA 6 HA ALA 6 2.495 11.775 11.775
51 1HB ALA 6 3HB ALA 6 0.289 9.958 9.958
52 2HB ALA 6 2HB ALA 6 0.153 10.857 10.857
53 3HB ALA 6 1HB ALA 6 0.296 11.753 11.753
54 H LYS 7 H LYS 7 2.795 10.667 10.667
55 HA LYS 7 HA LYS 7 4.367 8.223 8.223
56 1HB LYS 7 2HB LYS 7 5.044 9.050 9.050
57 2HB LYS 7 1HB LYS 7 5.689 9.876 9.876
58 1HG LYS 7 2HG LYS 7 4.326 11.754 11.754
59 2HG LYS 7 1HG LYS 7 3.112 10.946 10.946
60 1HD LYS 7 2HD LYS 7 4.370 12.695 12.695
61 2HD LYS 7 1HD LYS 7 4.395 11.143 11.143
62 1HE LYS 7 2HE LYS 7 6.786 12.077 12.077
63 2HE LYS 7 1HE LYS 7 6.559 12.671 12.671
64 1HZ LYS 7 2HZ LYS 7 6.566 10.337 10.337
65 2HZ LYS 7 1HZ LYS 7 6.874 9.834 9.834
66 3HZ LYS 7 3HZ LYS 7 8.006 10.809 10.809
67 H GLN 8 H GLN 8 1.233 9.277 9.277
68 HA GLN 8 HA GLN 8 0.304 7.059 7.059
69 1HB GLN 8 2HB GLN 8 2.351 7.381 7.381
70 2HB GLN 8 1HB GLN 8 1.406 8.717 8.717
71 1HG GLN 8 2HG GLN 8 0.904 6.747 6.747
72 2HG GLN 8 1HG GLN 8 -0.560 6.904 6.904
73 1HE2 GLN 8 2HE2 GLN 8 2.219 3.950 3.950
74 2HE2 GLN 8 1HE2 GLN 8 2.793 5.458 5.458
75 H ALA 9 H ALA 9 -0.818 8.783 8.783
76 HA ALA 9 HA ALA 9 -2.237 10.828 10.828
77 1HB ALA 9 1HB ALA 9 -2.762 9.671 9.671
78 2HB ALA 9 3HB ALA 9 -3.781 10.908 10.908
79 3HB ALA 9 2HB ALA 9 -3.624 9.254 9.254
80 H SER 10 H SER 10 -1.919 11.353 11.353
81 HA SER 10 HA SER 10 0.467 13.031 13.031
82 1HB SER 10 2HB SER 10 -2.287 14.218 14.218
83 2HB SER 10 1HB SER 10 -0.718 15.101 15.101
84 HG SER 10 HG SER 10 -0.965 14.025 14.025
85 H GLN 11 H GLN 11 0.321 10.663 10.663
86 HA GLN 11 HA GLN 11 -0.086 11.151 11.151
87 1HB GLN 11 2HB GLN 11 0.627 8.704 8.704
88 2HB GLN 11 1HB GLN 11 -0.768 8.958 8.958
89 1HG GLN 11 2HG GLN 11 0.577 8.669 8.669
90 2HG GLN 11 1HG GLN 11 2.118 8.674 8.674
91 1HE2 GLN 11 2HE2 GLN 11 1.923 5.146 5.146
92 2HE2 GLN 11 1HE2 GLN 11 2.781 6.549 6.549
93 H ASP 12 H ASP 12 2.252 11.359 11.359
94 HA ASP 12 HA ASP 12 4.659 10.815 10.815
95 1HB ASP 12 2HB ASP 12 3.845 9.865 9.865
96 2HB ASP 12 1HB ASP 12 4.242 11.468 11.468
97 H ALA 13 H ALA 13 2.567 13.239 13.239
98 HA ALA 13 HA ALA 13 4.466 15.454 15.454
99 1HB ALA 13 3HB ALA 13 1.390 15.318 15.318
100 2HB ALA 13 2HB ALA 13 2.399 16.788 16.788
101 3HB ALA 13 1HB ALA 13 2.612 15.334 15.334
102 H GLU 14 H GLU 14 2.560 13.819 13.819
103 HA GLU 14 HA GLU 14 2.152 16.059 16.059
104 1HB GLU 14 2HB GLU 14 0.608 14.015 14.015
105 2HB GLU 14 1HB GLU 14 1.954 12.998 12.998
106 1HG GLU 14 2HG GLU 14 1.783 14.945 14.945
107 2HG GLU 14 1HG GLU 14 0.090 14.870 14.870
108 H GLN 15 H GLN 15 4.480 13.361 13.361
109 HA GLN 15 HA GLN 15 5.724 13.892 13.892
110 1HB GLN 15 2HB GLN 15 5.337 11.615 11.615
111 2HB GLN 15 1HB GLN 15 7.047 11.894 11.894
112 1HG GLN 15 2HG GLN 15 5.501 11.599 11.599
113 2HG GLN 15 1HG GLN 15 6.648 10.406 10.406
114 1HE2 GLN 15 2HE2 GLN 15 9.463 12.860 12.860
115 2HE2 GLN 15 1HE2 GLN 15 8.967 11.510 11.510
116 H ALA 16 H ALA 16 6.216 14.646 14.646
117 HA ALA 16 HA ALA 16 8.736 15.952 15.952
118 1HB ALA 16 1HB ALA 16 7.851 15.016 15.016
119 2HB ALA 16 3HB ALA 16 6.523 16.211 16.211
120 3HB ALA 16 2HB ALA 16 8.233 16.761 16.761
121 H ALA 17 H ALA 17 5.622 16.815 16.815
122 HA ALA 17 HA ALA 17 6.216 19.692 19.692
123 1HB ALA 17 3HB ALA 17 3.850 19.113 19.113
124 2HB ALA 17 2HB ALA 17 3.763 18.221 18.221
125 3HB ALA 17 1HB ALA 17 4.036 20.002 20.002
126 H LYS 18 H LYS 18 6.541 16.774 16.774
127 HA LYS 18 HA LYS 18 6.631 18.102 18.102
128 1HB LYS 18 2HB LYS 18 7.006 15.203 15.203
129 2HB LYS 18 1HB LYS 18 7.263 15.663 15.663
130 1HG LYS 18 2HG LYS 18 5.017 16.546 16.546
131 2HG LYS 18 1HG LYS 18 4.663 16.253 16.253
132 1HD LYS 18 2HD LYS 18 4.919 13.863 13.863
133 2HD LYS 18 1HD LYS 18 5.494 14.024 14.024
134 1HE LYS 18 2HE LYS 18 3.296 14.821 14.821
135 2HE LYS 18 1HE LYS 18 2.713 14.973 14.973
136 1HZ LYS 18 2HZ LYS 18 3.502 12.275 12.275
137 2HZ LYS 18 1HZ LYS 18 2.477 12.759 12.759
138 3HZ LYS 18 3HZ LYS 18 2.013 13.016 13.016
139 H ASP 19 H ASP 19 9.020 16.641 16.641
140 HA ASP 19 HA ASP 19 11.220 17.406 17.406
141 1HB ASP 19 2HB ASP 19 11.283 16.139 16.139
142 2HB ASP 19 1HB ASP 19 12.699 16.352 16.352
143 H ALA 20 H ALA 20 9.256 19.125 19.125
144 HA ALA 20 HA ALA 20 11.231 21.178 21.178
145 1HB ALA 20 2HB ALA 20 9.431 20.736 20.736
146 2HB ALA 20 1HB ALA 20 8.190 21.249 21.249
147 3HB ALA 20 3HB ALA 20 9.433 22.425 22.425
148 H GLU 21 H GLU 21 8.161 20.732 20.732
149 HA GLU 21 HA GLU 21 8.289 23.079 23.079
150 1HB GLU 21 2HB GLU 21 6.910 20.404 20.404
151 2HB GLU 21 1HB GLU 21 6.745 21.863 21.863
152 1HG GLU 21 2HG GLU 21 5.610 23.114 23.114
153 2HG GLU 21 1HG GLU 21 5.674 21.690 21.690
154 H ASN 22 H ASN 22 9.713 19.883 19.883
155 HA ASN 22 HA ASN 22 10.434 20.425 20.425
156 1HB ASN 22 2HB ASN 22 11.226 18.311 18.311
157 2HB ASN 22 1HB ASN 22 12.290 18.429 18.429
158 1HD2 ASN 22 2HD2 ASN 22 8.824 16.544 16.544
159 2HD2 ASN 22 1HD2 ASN 22 9.262 17.290 17.290
160 H ALA 23 H ALA 23 11.964 21.810 21.810
161 HA ALA 23 HA ALA 23 14.490 22.238 22.238
162 1HB ALA 23 2HB ALA 23 14.281 22.245 22.245
163 2HB ALA 23 1HB ALA 23 13.254 23.714 23.714
164 3HB ALA 23 3HB ALA 23 14.984 23.786 23.786
165 H SER 24 H SER 24 11.395 24.014 24.014
166 HA SER 24 HA SER 24 12.564 26.217 26.217
167 1HB SER 24 2HB SER 24 9.607 25.785 25.785
168 2HB SER 24 1HB SER 24 10.313 27.317 27.317
169 HG SER 24 HG SER 24 10.226 27.358 27.358
170 H LYS 25 H LYS 25 10.667 23.409 23.409
171 HA LYS 25 HA LYS 25 9.353 23.978 23.978
172 1HB LYS 25 2HB LYS 25 10.501 21.443 21.443
173 2HB LYS 25 1HB LYS 25 9.489 21.309 21.309
174 1HG LYS 25 2HG LYS 25 8.461 22.655 22.655
175 2HG LYS 25 1HG LYS 25 8.269 20.897 20.897
176 1HD LYS 25 2HD LYS 25 7.270 23.198 23.198
177 2HD LYS 25 1HD LYS 25 6.283 22.380 22.380
178 1HE LYS 25 2HE LYS 25 6.296 20.242 20.242
179 2HE LYS 25 1HE LYS 25 7.517 20.871 20.871
180 1HZ LYS 25 3HZ LYS 25 5.998 22.542 22.542
181 2HZ LYS 25 2HZ LYS 25 4.758 21.952 21.952
182 3HZ LYS 25 1HZ LYS 25 5.411 21.007 21.007
183 H GLU 26 H GLU 26 12.684 23.617 23.617
184 HA GLU 26 HA GLU 26 13.314 22.840 22.840
185 1HB GLU 26 2HB GLU 26 14.604 22.863 22.863
186 2HB GLU 26 1HB GLU 26 15.353 24.345 24.345
187 1HG GLU 26 2HG GLU 26 15.311 21.585 21.585
188 2HG GLU 26 1HG GLU 26 16.578 22.190 22.190
189 H ALA 27 H ALA 27 14.012 25.874 25.874
190 HA ALA 27 HA ALA 27 14.457 27.332 27.332
191 1HB ALA 27 1HB ALA 27 16.085 27.411 27.411
192 2HB ALA 27 3HB ALA 27 14.863 28.141 28.141
193 3HB ALA 27 2HB ALA 27 15.460 29.053 29.053
194 H GLU 28 H GLU 28 11.919 27.208 27.208
195 HA GLU 28 HA GLU 28 10.831 29.821 29.821
196 1HB GLU 28 2HB GLU 28 10.992 29.183 29.183
197 2HB GLU 28 1HB GLU 28 9.964 27.770 27.770
198 1HG GLU 28 2HG GLU 28 8.670 30.396 30.396
199 2HG GLU 28 1HG GLU 28 9.162 30.328 30.328
200 H GLU 29 H GLU 29 10.584 26.523 26.523
201 HA GLU 29 HA GLU 29 7.932 26.880 26.880
202 1HB GLU 29 2HB GLU 29 8.742 24.787 24.787
203 2HB GLU 29 1HB GLU 29 9.828 24.457 24.457
204 1HG GLU 29 2HG GLU 29 8.050 23.783 23.783
205 2HG GLU 29 1HG GLU 29 6.942 25.068 25.068
206 H ALA 30 H ALA 30 11.328 27.040 27.040
207 HA ALA 30 HA ALA 30 10.983 27.263 27.263
208 1HB ALA 30 3HB ALA 30 13.060 26.279 26.279
209 2HB ALA 30 2HB ALA 30 13.470 27.850 27.850
210 3HB ALA 30 1HB ALA 30 13.427 27.694 27.694
211 H ALA 31 H ALA 31 11.661 29.561 29.561
212 HA ALA 31 HA ALA 31 11.224 31.876 31.876
213 1HB ALA 31 1HB ALA 31 12.989 31.948 31.948
214 2HB ALA 31 3HB ALA 31 11.767 31.635 31.635
215 3HB ALA 31 2HB ALA 31 11.728 33.173 33.173
216 H LYS 32 H LYS 32 9.009 30.108 30.108
217 HA LYS 32 HA LYS 32 7.018 32.050 32.050
218 1HB LYS 32 2HB LYS 32 6.821 30.291 30.291
219 2HB LYS 32 1HB LYS 32 6.676 29.025 29.025
220 1HG LYS 32 2HG LYS 32 4.546 29.490 29.490
221 2HG LYS 32 1HG LYS 32 4.419 30.095 30.095
222 1HD LYS 32 2HD LYS 32 4.318 32.349 32.349
223 2HD LYS 32 1HD LYS 32 5.225 32.103 32.103
224 1HE LYS 32 2HE LYS 32 2.271 31.257 31.257
225 2HE LYS 32 1HE LYS 32 2.846 32.710 32.710
226 1HZ LYS 32 1HZ LYS 32 4.174 30.908 30.908
227 2HZ LYS 32 3HZ LYS 32 3.006 29.856 29.856
228 3HZ LYS 32 2HZ LYS 32 2.536 31.204 31.204
229 H GLU 33 H GLU 33 6.740 28.770 28.770
230 HA GLU 33 HA GLU 33 4.972 30.063 30.063
231 1HB GLU 33 2HB GLU 33 4.642 27.774 27.774
232 2HB GLU 33 1HB GLU 33 5.752 27.110 27.110
233 1HG GLU 33 2HG GLU 33 4.058 28.246 28.246
234 2HG GLU 33 1HG GLU 33 2.950 28.439 28.439
235 H ALA 34 H ALA 34 8.295 29.078 29.078
236 HA ALA 34 HA ALA 34 8.328 29.298 29.298
237 1HB ALA 34 3HB ALA 34 9.529 27.338 27.338
238 2HB ALA 34 2HB ALA 34 10.617 28.443 28.443
239 3HB ALA 34 1HB ALA 34 10.650 28.411 28.411
240 H VAL 35 H VAL 35 8.048 31.535 31.535
241 HA VAL 35 HA VAL 35 9.983 33.393 33.393
242 HB VAL 35 HB VAL 35 9.131 33.225 33.225
243 1HG1 VAL 35 3HG1 VAL 35 10.476 35.599 35.599
244 2HG1 VAL 35 2HG1 VAL 35 10.441 35.393 35.393
245 3HG1 VAL 35 1HG1 VAL 35 8.918 35.670 35.670
246 1HG2 VAL 35 3HG2 VAL 35 11.825 33.284 33.284
247 2HG2 VAL 35 2HG2 VAL 35 11.122 31.879 31.879
248 3HG2 VAL 35 1HG2 VAL 35 11.672 33.326 33.326
249 H ASN 36 H ASN 36 6.875 33.395 33.395
250 HA ASN 36 HA ASN 36 6.341 35.959 35.959
251 1HB ASN 36 2HB ASN 36 4.866 36.449 36.449
252 2HB ASN 36 1HB ASN 36 6.639 36.368 36.368
253 1HD2 ASN 36 2HD2 ASN 36 6.348 33.636 33.636
254 2HD2 ASN 36 1HD2 ASN 36 7.308 35.010 35.010
255 H LEU 37 H LEU 37 4.834 32.853 32.853
256 HA LEU 37 HA LEU 37 3.461 31.672 31.672
257 1HB LEU 37 2HB LEU 37 4.427 33.123 33.123
258 2HB LEU 37 1HB LEU 37 2.737 33.656 33.656
259 HG LEU 37 HG LEU 37 3.461 31.806 31.806
260 1HD1 LEU 37 1HD1 LEU 37 1.004 31.927 31.927
261 2HD1 LEU 37 3HD1 LEU 37 1.386 30.650 30.650
262 3HD1 LEU 37 2HD1 LEU 37 1.546 30.287 30.287
263 1HD2 LEU 37 3HD2 LEU 37 5.134 30.733 30.733
264 2HD2 LEU 37 2HD2 LEU 37 3.989 29.557 29.557
265 3HD2 LEU 37 1HD2 LEU 37 3.835 29.986 29.986
266 H LYS 38 HN LYS 38 2.728 33.437 33.437
267 HA LYS 38 HA LYS 38 -0.159 33.740 33.740
268 1HB LYS 38 2HB LYS 38 1.938 35.734 35.734
269 2HB LYS 38 1HB LYS 38 0.173 35.919 35.919
270 1HG LYS 38 2HG LYS 38 -0.280 36.581 36.581
271 2HG LYS 38 1HG LYS 38 1.119 35.684 35.684
272 1HD LYS 38 2HD LYS 38 2.682 37.349 37.349
273 2HD LYS 38 1HD LYS 38 1.251 38.355 38.355
274 1HE LYS 38 2HE LYS 38 2.469 39.121 39.121
275 2HE LYS 38 1HE LYS 38 0.745 38.684 38.684
276 1HZ LYS 38 3HZ LYS 38 2.931 36.682 36.682
277 2HZ LYS 38 2HZ LYS 38 2.550 37.842 37.842
278 3HZ LYS 38 1HZ LYS 38 1.361 36.756 36.756
Start of MODEL 4
1 1H GLU 1 1H GLU 1 1.311 4.779 4.779
2 2H GLU 1 3H GLU 1 1.910 3.474 3.474
3 3H GLU 1 2H GLU 1 1.685 3.343 3.343
4 HA GLU 1 HA GLU 1 -0.698 3.631 3.631
5 1HB GLU 1 2HB GLU 1 0.604 1.272 1.272
6 2HB GLU 1 1HB GLU 1 -1.161 1.349 1.349
7 1HG GLU 1 2HG GLU 1 -0.916 1.269 1.269
8 2HG GLU 1 1HG GLU 1 0.849 1.578 1.578
9 H ALA 2 H ALA 2 0.021 2.439 2.439
10 HA ALA 2 HA ALA 2 -1.495 4.662 4.662
11 1HB ALA 2 2HB ALA 2 -2.124 2.395 2.395
12 2HB ALA 2 1HB ALA 2 -0.473 2.098 2.098
13 3HB ALA 2 3HB ALA 2 -1.527 3.369 3.369
14 H TYR 3 H TYR 3 1.849 3.757 3.757
15 HA TYR 3 HA TYR 3 2.495 6.359 6.359
16 1HB TYR 3 2HB TYR 3 4.541 5.914 5.914
17 2HB TYR 3 1HB TYR 3 3.147 5.253 5.253
18 HD1 TYR 3 HD2 TYR 3 2.640 2.695 2.695
19 HD2 TYR 3 HD1 TYR 3 6.386 4.548 4.548
20 HE1 TYR 3 HE2 TYR 3 3.719 0.482 0.482
21 HE2 TYR 3 HE1 TYR 3 7.463 2.358 2.358
22 HH TYR 3 HH TYR 3 7.201 0.109 0.109
23 H LYS 4 H LYS 4 4.478 6.784 6.784
24 HA LYS 4 HA LYS 4 5.353 6.876 6.876
25 1HB LYS 4 2HB LYS 4 6.636 4.440 4.440
26 2HB LYS 4 1HB LYS 4 7.405 5.282 5.282
27 1HG LYS 4 2HG LYS 4 6.735 6.912 6.912
28 2HG LYS 4 1HG LYS 4 8.139 5.818 5.818
29 1HD LYS 4 2HD LYS 4 8.985 7.884 7.884
30 2HD LYS 4 1HD LYS 4 8.978 6.937 6.937
31 1HE LYS 4 2HE LYS 4 6.978 8.280 8.280
32 2HE LYS 4 1HE LYS 4 6.929 9.164 9.164
33 1HZ LYS 4 1HZ LYS 4 9.196 9.988 9.988
34 2HZ LYS 4 3HZ LYS 4 9.070 9.323 9.323
35 3HZ LYS 4 2HZ LYS 4 8.001 10.524 10.524
36 H LYS 5 H LYS 5 6.492 4.140 4.140
37 HA LYS 5 HA LYS 5 6.281 2.984 2.984
38 1HB LYS 5 2HB LYS 5 3.386 2.515 2.515
39 2HB LYS 5 1HB LYS 5 4.336 1.580 1.580
40 1HG LYS 5 2HG LYS 5 6.055 1.091 1.091
41 2HG LYS 5 1HG LYS 5 4.826 1.775 1.775
42 1HD LYS 5 2HD LYS 5 4.616 -0.627 -0.627
43 2HD LYS 5 1HD LYS 5 3.243 0.148 0.148
44 1HE LYS 5 2HE LYS 5 4.315 -0.555 -0.555
45 2HE LYS 5 1HE LYS 5 5.593 -1.403 -1.403
46 1HZ LYS 5 2HZ LYS 5 2.676 -1.938 -1.938
47 2HZ LYS 5 1HZ LYS 5 3.572 -2.655 -2.655
48 3HZ LYS 5 3HZ LYS 5 4.035 -2.953 -2.953
49 H ALA 6 H ALA 6 6.708 3.505 3.505
50 HA ALA 6 HA ALA 6 5.028 5.343 5.343
51 1HB ALA 6 1HB ALA 6 7.458 5.763 5.763
52 2HB ALA 6 3HB ALA 6 7.748 4.122 4.122
53 3HB ALA 6 2HB ALA 6 6.826 5.353 5.353
54 H LYS 7 H LYS 7 3.708 4.680 4.680
55 HA LYS 7 HA LYS 7 3.500 1.779 1.779
56 1HB LYS 7 2HB LYS 7 1.343 3.956 3.956
57 2HB LYS 7 1HB LYS 7 1.192 2.181 2.181
58 1HG LYS 7 2HG LYS 7 1.757 1.904 1.904
59 2HG LYS 7 1HG LYS 7 1.422 3.666 3.666
60 1HD LYS 7 2HD LYS 7 -0.887 3.151 3.151
61 2HD LYS 7 1HD LYS 7 -0.437 1.409 1.409
62 1HE LYS 7 2HE LYS 7 -0.016 1.927 1.927
63 2HE LYS 7 1HE LYS 7 -0.875 3.487 3.487
64 1HZ LYS 7 2HZ LYS 7 -2.709 1.867 1.867
65 2HZ LYS 7 1HZ LYS 7 -1.899 0.718 0.718
66 3HZ LYS 7 3HZ LYS 7 -2.503 2.122 2.122
67 H GLN 8 H GLN 8 2.333 1.856 1.856
68 HA GLN 8 HA GLN 8 4.101 3.531 3.531
69 1HB GLN 8 2HB GLN 8 2.916 0.810 0.810
70 2HB GLN 8 1HB GLN 8 3.963 1.910 1.910
71 1HG GLN 8 2HG GLN 8 5.779 1.621 1.621
72 2HG GLN 8 1HG GLN 8 4.768 0.317 0.317
73 1HE2 GLN 8 2HE2 GLN 8 6.982 -0.529 -0.529
74 2HE2 GLN 8 1HE2 GLN 8 7.208 0.886 0.886
75 H ALA 9 H ALA 9 2.114 4.635 4.635
76 HA ALA 9 HA ALA 9 0.064 4.978 4.978
77 1HB ALA 9 2HB ALA 9 0.080 6.062 6.062
78 2HB ALA 9 1HB ALA 9 -1.168 6.457 6.457
79 3HB ALA 9 3HB ALA 9 -0.975 4.783 4.783
80 H SER 10 H SER 10 0.296 7.839 7.839
81 HA SER 10 HA SER 10 2.912 8.751 8.751
82 1HB SER 10 2HB SER 10 0.395 9.926 9.926
83 2HB SER 10 1HB SER 10 1.979 10.783 10.783
84 HG SER 10 HG SER 10 1.944 8.161 8.161
85 H GLN 11 H GLN 11 2.255 8.251 8.251
86 HA GLN 11 HA GLN 11 1.010 10.539 10.539
87 1HB GLN 11 2HB GLN 11 1.773 9.181 9.181
88 2HB GLN 11 1HB GLN 11 0.588 8.384 8.384
89 1HG GLN 11 2HG GLN 11 1.988 6.687 6.687
90 2HG GLN 11 1HG GLN 11 3.429 7.739 7.739
91 1HE2 GLN 11 2HE2 GLN 11 2.939 5.933 5.933
92 2HE2 GLN 11 1HE2 GLN 11 1.503 6.174 6.174
93 H ASP 12 H ASP 12 3.992 9.525 9.525
94 HA ASP 12 HA ASP 12 5.838 10.425 10.425
95 1HB ASP 12 2HB ASP 12 6.115 8.591 8.591
96 2HB ASP 12 1HB ASP 12 6.317 9.860 9.860
97 H ALA 13 H ALA 13 4.536 11.882 11.882
98 HA ALA 13 HA ALA 13 6.222 14.228 14.228
99 1HB ALA 13 3HB ALA 13 5.585 13.212 13.212
100 2HB ALA 13 2HB ALA 13 3.856 13.547 13.547
101 3HB ALA 13 1HB ALA 13 5.022 14.905 14.905
102 H GLU 14 H GLU 14 3.468 13.263 13.263
103 HA GLU 14 HA GLU 14 2.269 15.880 15.880
104 1HB GLU 14 2HB GLU 14 1.506 12.977 12.977
105 2HB GLU 14 1HB GLU 14 0.917 14.019 14.019
106 1HG GLU 14 2HG GLU 14 0.433 14.552 14.552
107 2HG GLU 14 1HG GLU 14 -0.751 13.760 13.760
108 H GLN 15 H GLN 15 4.081 13.266 13.266
109 HA GLN 15 HA GLN 15 4.176 14.605 14.605
110 1HB GLN 15 2HB GLN 15 4.139 12.059 12.059
111 2HB GLN 15 1HB GLN 15 5.906 12.136 12.136
112 1HG GLN 15 2HG GLN 15 4.095 13.154 13.154
113 2HG GLN 15 1HG GLN 15 4.537 11.422 11.422
114 1HE2 GLN 15 2HE2 GLN 15 7.427 14.082 14.082
115 2HE2 GLN 15 1HE2 GLN 15 5.881 14.653 14.653
116 H ALA 16 H ALA 16 6.567 13.954 13.954
117 HA ALA 16 HA ALA 16 8.786 15.084 15.084
118 1HB ALA 16 2HB ALA 16 8.916 13.373 13.373
119 2HB ALA 16 1HB ALA 16 8.368 14.590 14.590
120 3HB ALA 16 3HB ALA 16 9.944 14.796 14.796
121 H ALA 17 H ALA 17 6.166 16.496 16.496
122 HA ALA 17 HA ALA 17 7.313 19.091 19.091
123 1HB ALA 17 1HB ALA 17 4.390 18.080 18.080
124 2HB ALA 17 3HB ALA 17 4.936 19.685 19.685
125 3HB ALA 17 2HB ALA 17 5.498 18.179 18.179
126 H LYS 18 H LYS 18 5.758 17.519 17.519
127 HA LYS 18 HA LYS 18 5.110 20.083 20.083
128 1HB LYS 18 2HB LYS 18 4.504 17.209 17.209
129 2HB LYS 18 1HB LYS 18 4.046 18.654 18.654
130 1HG LYS 18 2HG LYS 18 2.647 19.536 19.536
131 2HG LYS 18 1HG LYS 18 3.271 18.323 18.323
132 1HD LYS 18 2HD LYS 18 2.229 16.496 16.496
133 2HD LYS 18 1HD LYS 18 1.596 17.694 17.694
134 1HE LYS 18 2HE LYS 18 -0.167 16.914 16.914
135 2HE LYS 18 1HE LYS 18 0.123 18.703 18.703
136 1HZ LYS 18 1HZ LYS 18 1.757 17.105 17.105
137 2HZ LYS 18 3HZ LYS 18 0.087 16.888 16.888
138 3HZ LYS 18 2HZ LYS 18 0.763 18.437 18.437
139 H ASP 19 H ASP 19 7.656 17.624 17.624
140 HA ASP 19 HA ASP 19 8.721 18.688 18.688
141 1HB ASP 19 2HB ASP 19 9.932 16.462 16.462
142 2HB ASP 19 1HB ASP 19 10.609 17.092 17.092
143 H ALA 20 H ALA 20 8.543 20.193 20.193
144 HA ALA 20 HA ALA 20 11.294 21.144 21.144
145 1HB ALA 20 2HB ALA 20 8.744 21.917 21.917
146 2HB ALA 20 1HB ALA 20 10.392 22.604 22.604
147 3HB ALA 20 3HB ALA 20 10.081 20.860 20.860
148 H GLU 21 H GLU 21 8.121 22.011 22.011
149 HA GLU 21 HA GLU 21 8.908 24.704 24.704
150 1HB GLU 21 2HB GLU 21 6.327 23.356 23.356
151 2HB GLU 21 1HB GLU 21 6.201 24.360 24.360
152 1HG GLU 21 2HG GLU 21 7.219 25.487 25.487
153 2HG GLU 21 1HG GLU 21 5.505 25.515 25.515
154 H ASN 22 H ASN 22 7.666 21.562 21.562
155 HA ASN 22 HA ASN 22 7.800 22.091 22.091
156 1HB ASN 22 2HB ASN 22 7.972 19.347 19.347
157 2HB ASN 22 1HB ASN 22 7.668 19.550 19.550
158 1HD2 ASN 22 2HD2 ASN 22 4.449 18.947 18.947
159 2HD2 ASN 22 1HD2 ASN 22 5.988 18.130 18.130
160 H ALA 23 H ALA 23 10.384 21.547 21.547
161 HA ALA 23 HA ALA 23 12.225 20.289 20.289
162 1HB ALA 23 1HB ALA 23 12.802 21.996 21.996
163 2HB ALA 23 3HB ALA 23 13.995 20.959 20.959
164 3HB ALA 23 2HB ALA 23 12.600 20.215 20.215
165 H SER 24 H SER 24 11.462 23.731 23.731
166 HA SER 24 HA SER 24 13.588 24.648 24.648
167 1HB SER 24 2HB SER 24 11.844 26.181 26.181
168 2HB SER 24 1HB SER 24 13.080 26.935 26.935
169 HG SER 24 HG SER 24 13.479 24.966 24.966
170 H LYS 25 H LYS 25 10.148 24.092 24.092
171 HA LYS 25 HA LYS 25 9.388 26.040 26.040
172 1HB LYS 25 2HB LYS 25 8.399 23.259 23.259
173 2HB LYS 25 1HB LYS 25 7.454 24.308 24.308
174 1HG LYS 25 2HG LYS 25 8.336 25.287 25.287
175 2HG LYS 25 1HG LYS 25 6.840 24.339 24.339
176 1HD LYS 25 2HD LYS 25 5.910 26.003 26.003
177 2HD LYS 25 1HD LYS 25 7.433 26.980 26.980
178 1HE LYS 25 2HE LYS 25 5.978 26.412 26.412
179 2HE LYS 25 1HE LYS 25 5.573 27.857 27.857
180 1HZ LYS 25 3HZ LYS 25 8.428 27.444 27.444
181 2HZ LYS 25 2HZ LYS 25 7.267 27.944 27.944
182 3HZ LYS 25 1HZ LYS 25 7.584 28.817 28.817
183 H GLU 26 H GLU 26 11.100 23.086 23.086
184 HA GLU 26 HA GLU 26 10.959 22.952 22.952
185 1HB GLU 26 2HB GLU 26 11.901 21.117 21.117
186 2HB GLU 26 1HB GLU 26 13.306 22.152 22.152
187 1HG GLU 26 2HG GLU 26 13.861 22.085 22.085
188 2HG GLU 26 1HG GLU 26 12.553 20.870 20.870
189 H ALA 27 H ALA 27 12.874 25.096 25.096
190 HA ALA 27 HA ALA 27 14.625 25.997 25.997
191 1HB ALA 27 2HB ALA 27 15.597 25.599 25.599
192 2HB ALA 27 1HB ALA 27 14.514 26.855 26.855
193 3HB ALA 27 3HB ALA 27 15.788 27.307 27.307
194 H GLU 28 H GLU 28 11.647 26.739 26.739
195 HA GLU 28 HA GLU 28 11.937 29.608 29.608
196 1HB GLU 28 2HB GLU 28 10.914 28.124 28.124
197 2HB GLU 28 1HB GLU 28 9.416 28.036 28.036
198 1HG GLU 28 2HG GLU 28 9.161 30.602 30.602
199 2HG GLU 28 1HG GLU 28 10.733 30.580 30.580
200 H GLU 29 H GLU 29 9.868 27.127 27.127
201 HA GLU 29 HA GLU 29 9.020 29.191 29.191
202 1HB GLU 29 2HB GLU 29 7.413 27.265 27.265
203 2HB GLU 29 1HB GLU 29 8.171 26.327 26.327
204 1HG GLU 29 2HG GLU 29 6.224 27.279 27.279
205 2HG GLU 29 1HG GLU 29 7.467 28.457 28.457
206 H ALA 30 H ALA 30 11.581 26.777 26.777
207 HA ALA 30 HA ALA 30 12.007 26.772 26.772
208 1HB ALA 30 1HB ALA 30 12.743 24.881 24.881
209 2HB ALA 30 3HB ALA 30 14.025 25.932 25.932
210 3HB ALA 30 2HB ALA 30 14.044 25.511 25.511
211 H ALA 31 H ALA 31 13.005 28.750 28.750
212 HA ALA 31 HA ALA 31 14.480 30.584 30.584
213 1HB ALA 31 2HB ALA 31 15.323 30.139 30.139
214 2HB ALA 31 1HB ALA 31 13.819 30.873 30.873
215 3HB ALA 31 3HB ALA 31 14.990 31.867 31.867
216 H LYS 32 H LYS 32 12.096 30.231 30.231
217 HA LYS 32 HA LYS 32 10.985 32.877 32.877
218 1HB LYS 32 2HB LYS 32 9.714 31.079 31.079
219 2HB LYS 32 1HB LYS 32 8.975 30.538 30.538
220 1HG LYS 32 2HG LYS 32 7.381 32.067 32.067
221 2HG LYS 32 1HG LYS 32 8.451 33.143 33.143
222 1HD LYS 32 2HD LYS 32 8.040 34.405 34.405
223 2HD LYS 32 1HD LYS 32 9.658 33.719 33.719
224 1HE LYS 32 2HE LYS 32 6.858 33.106 33.106
225 2HE LYS 32 1HE LYS 32 8.329 33.792 33.792
226 1HZ LYS 32 1HZ LYS 32 9.313 31.402 31.402
227 2HZ LYS 32 3HZ LYS 32 7.679 30.973 30.973
228 3HZ LYS 32 2HZ LYS 32 8.142 31.674 31.674
229 H GLU 33 H GLU 33 10.799 29.560 29.560
230 HA GLU 33 HA GLU 33 9.536 29.799 29.799
231 1HB GLU 33 2HB GLU 33 11.900 28.070 28.070
232 2HB GLU 33 1HB GLU 33 11.617 28.180 28.180
233 1HG GLU 33 2HG GLU 33 10.267 26.533 26.533
234 2HG GLU 33 1HG GLU 33 9.038 27.697 27.697
235 H ALA 34 H ALA 34 12.992 30.731 30.731
236 HA ALA 34 HA ALA 34 12.704 32.199 32.199
237 1HB ALA 34 2HB ALA 34 14.743 30.808 30.808
238 2HB ALA 34 1HB ALA 34 15.243 31.703 31.703
239 3HB ALA 34 3HB ALA 34 15.158 32.536 32.536
240 H VAL 35 H VAL 35 14.433 32.939 32.939
241 HA VAL 35 HA VAL 35 13.158 35.317 35.317
242 HB VAL 35 HB VAL 35 15.942 35.647 35.647
243 1HG1 VAL 35 2HG1 VAL 35 14.429 37.574 37.574
244 2HG1 VAL 35 1HG1 VAL 35 15.866 38.012 38.012
245 3HG1 VAL 35 3HG1 VAL 35 16.036 36.826 36.826
246 1HG2 VAL 35 3HG2 VAL 35 13.236 37.063 37.063
247 2HG2 VAL 35 2HG2 VAL 35 14.122 36.023 36.023
248 3HG2 VAL 35 1HG2 VAL 35 14.792 37.619 37.619
249 H ASN 36 H ASN 36 16.233 33.363 33.363
250 HA ASN 36 HA ASN 36 16.168 33.232 33.232
251 1HB ASN 36 2HB ASN 36 17.651 35.107 35.107
252 2HB ASN 36 1HB ASN 36 18.523 34.154 34.154
253 1HD2 ASN 36 2HD2 ASN 36 19.301 33.277 33.277
254 2HD2 ASN 36 1HD2 ASN 36 17.791 34.066 34.066
255 H LEU 37 H LEU 37 18.686 32.067 32.067
256 HA LEU 37 HA LEU 37 19.344 30.081 30.081
257 1HB LEU 37 2HB LEU 37 16.622 29.955 29.955
258 2HB LEU 37 1HB LEU 37 16.776 28.515 28.515
259 HG LEU 37 HG LEU 37 16.733 28.179 28.179
260 1HD1 LEU 37 2HD1 LEU 37 17.944 26.468 26.468
261 2HD1 LEU 37 1HD1 LEU 37 19.505 27.312 27.312
262 3HD1 LEU 37 3HD1 LEU 37 18.580 26.627 26.627
263 1HD2 LEU 37 2HD2 LEU 37 17.718 30.318 30.318
264 2HD2 LEU 37 1HD2 LEU 37 18.470 28.903 28.903
265 3HD2 LEU 37 3HD2 LEU 37 19.363 29.741 29.741
266 H LYS 38 HN LYS 38 20.168 30.744 30.744
267 HA LYS 38 HA LYS 38 20.122 28.101 28.101
268 1HB LYS 38 2HB LYS 38 18.090 29.277 29.277
269 2HB LYS 38 1HB LYS 38 19.082 30.685 30.685
270 1HG LYS 38 2HG LYS 38 19.870 27.940 27.940
271 2HG LYS 38 1HG LYS 38 18.251 28.556 28.556
272 1HD LYS 38 2HD LYS 38 19.602 29.197 29.197
273 2HD LYS 38 1HD LYS 38 19.132 30.678 30.678
274 1HE LYS 38 2HE LYS 38 21.527 30.710 30.710
275 2HE LYS 38 1HE LYS 38 21.407 30.963 30.963
276 1HZ LYS 38 1HZ LYS 38 21.748 28.224 28.224
277 2HZ LYS 38 3HZ LYS 38 23.096 29.283 29.283
278 3HZ LYS 38 2HZ LYS 38 22.227 28.931 28.931
Start of MODEL 5
1 1H GLU 1 1H GLU 1 -0.775 11.581 11.581
2 2H GLU 1 3H GLU 1 -0.128 11.706 11.706
3 3H GLU 1 2H GLU 1 -0.197 13.096 13.096
4 HA GLU 1 HA GLU 1 1.520 12.415 12.415
5 1HB GLU 1 2HB GLU 1 3.292 11.232 11.232
6 2HB GLU 1 1HB GLU 1 2.455 12.526 12.526
7 1HG GLU 1 2HG GLU 1 2.231 11.052 11.052
8 2HG GLU 1 1HG GLU 1 0.834 10.363 10.363
9 H ALA 2 H ALA 2 2.789 9.666 9.666
10 HA ALA 2 HA ALA 2 0.797 7.756 7.756
11 1HB ALA 2 3HB ALA 2 2.061 9.001 9.001
12 2HB ALA 2 2HB ALA 2 1.133 7.457 7.457
13 3HB ALA 2 1HB ALA 2 0.316 9.005 9.005
14 H TYR 3 H TYR 3 2.687 7.488 7.488
15 HA TYR 3 HA TYR 3 4.599 5.720 5.720
16 1HB TYR 3 2HB TYR 3 5.684 8.041 8.041
17 2HB TYR 3 1HB TYR 3 5.500 7.517 7.517
18 HD1 TYR 3 HD2 TYR 3 6.610 5.927 5.927
19 HD2 TYR 3 HD1 TYR 3 7.565 6.681 6.681
20 HE1 TYR 3 HE2 TYR 3 8.723 4.699 4.699
21 HE2 TYR 3 HE1 TYR 3 9.662 5.438 5.438
22 HH TYR 3 HH TYR 3 10.959 4.138 4.138
23 H LYS 4 H LYS 4 5.666 5.277 5.277
24 HA LYS 4 HA LYS 4 3.458 4.046 4.046
25 1HB LYS 4 2HB LYS 4 4.380 2.564 2.564
26 2HB LYS 4 1HB LYS 4 5.813 2.253 2.253
27 1HG LYS 4 2HG LYS 4 2.840 1.705 1.705
28 2HG LYS 4 1HG LYS 4 3.890 0.546 0.546
29 1HD LYS 4 2HD LYS 4 5.381 0.291 0.291
30 2HD LYS 4 1HD LYS 4 4.453 1.492 1.492
31 1HE LYS 4 2HE LYS 4 2.405 0.007 0.007
32 2HE LYS 4 1HE LYS 4 3.297 -1.173 -1.173
33 1HZ LYS 4 3HZ LYS 4 4.912 -1.353 -1.353
34 2HZ LYS 4 2HZ LYS 4 3.776 -0.508 -0.508
35 3HZ LYS 4 1HZ LYS 4 3.362 -1.993 -1.993
36 H LYS 5 H LYS 5 4.138 4.542 4.542
37 HA LYS 5 HA LYS 5 6.974 5.192 5.192
38 1HB LYS 5 2HB LYS 5 4.523 6.935 6.935
39 2HB LYS 5 1HB LYS 5 6.096 7.194 7.194
40 1HG LYS 5 2HG LYS 5 5.847 7.402 7.402
41 2HG LYS 5 1HG LYS 5 5.397 8.717 8.717
42 1HD LYS 5 2HD LYS 5 7.693 8.724 8.724
43 2HD LYS 5 1HD LYS 5 8.200 7.500 7.500
44 1HE LYS 5 2HE LYS 5 7.576 9.138 9.138
45 2HE LYS 5 1HE LYS 5 7.044 10.326 10.326
46 1HZ LYS 5 2HZ LYS 5 9.394 10.452 10.452
47 2HZ LYS 5 1HZ LYS 5 9.868 9.392 9.392
48 3HZ LYS 5 3HZ LYS 5 9.141 10.870 10.870
49 H ALA 6 H ALA 6 7.133 5.587 5.587
50 HA ALA 6 HA ALA 6 6.155 3.171 3.171
51 1HB ALA 6 2HB ALA 6 8.632 3.565 3.565
52 2HB ALA 6 1HB ALA 6 8.465 5.086 5.086
53 3HB ALA 6 3HB ALA 6 8.100 3.486 3.486
54 H LYS 7 H LYS 7 7.223 4.953 4.953
55 HA LYS 7 HA LYS 7 4.664 6.183 6.183
56 1HB LYS 7 2HB LYS 7 5.307 5.992 5.992
57 2HB LYS 7 1HB LYS 7 5.210 4.419 4.419
58 1HG LYS 7 2HG LYS 7 7.858 4.607 4.607
59 2HG LYS 7 1HG LYS 7 7.639 5.832 5.832
60 1HD LYS 7 2HD LYS 7 7.668 4.106 4.106
61 2HD LYS 7 1HD LYS 7 6.004 3.830 3.830
62 1HE LYS 7 2HE LYS 7 7.105 1.666 1.666
63 2HE LYS 7 1HE LYS 7 6.913 2.188 2.188
64 1HZ LYS 7 3HZ LYS 7 9.350 3.124 3.124
65 2HZ LYS 7 2HZ LYS 7 9.230 1.426 1.426
66 3HZ LYS 7 1HZ LYS 7 9.088 2.194 2.194
67 H GLN 8 H GLN 8 4.949 7.899 7.899
68 HA GLN 8 HA GLN 8 6.758 10.009 10.009
69 1HB GLN 8 2HB GLN 8 5.773 9.509 9.509
70 2HB GLN 8 1HB GLN 8 6.124 11.168 11.168
71 1HG GLN 8 2HG GLN 8 7.979 10.366 10.366
72 2HG GLN 8 1HG GLN 8 8.441 10.707 10.707
73 1HE2 GLN 8 2HE2 GLN 8 9.972 7.501 7.501
74 2HE2 GLN 8 1HE2 GLN 8 9.873 9.114 9.114
75 H ALA 9 H ALA 9 3.705 9.953 9.953
76 HA ALA 9 HA ALA 9 2.883 12.236 12.236
77 1HB ALA 9 3HB ALA 9 2.768 12.219 12.219
78 2HB ALA 9 2HB ALA 9 1.557 10.899 10.899
79 3HB ALA 9 1HB ALA 9 1.151 12.518 12.518
80 H SER 10 H SER 10 2.234 11.430 11.430
81 HA SER 10 HA SER 10 -0.253 10.525 10.525
82 1HB SER 10 2HB SER 10 1.906 8.274 8.274
83 2HB SER 10 1HB SER 10 0.477 8.084 8.084
84 HG SER 10 HG SER 10 0.099 8.730 8.730
85 H GLN 11 H GLN 11 1.358 8.937 8.937
86 HA GLN 11 HA GLN 11 1.467 11.226 11.226
87 1HB GLN 11 2HB GLN 11 1.864 9.646 9.646
88 2HB GLN 11 1HB GLN 11 0.466 9.304 9.304
89 1HG GLN 11 2HG GLN 11 1.877 7.487 7.487
90 2HG GLN 11 1HG GLN 11 3.114 7.699 7.699
91 1HE2 GLN 11 2HE2 GLN 11 1.119 5.563 5.563
92 2HE2 GLN 11 1HE2 GLN 11 2.705 6.103 6.103
93 H ASP 12 H ASP 12 4.059 9.308 9.308
94 HA ASP 12 HA ASP 12 6.192 10.511 10.511
95 1HB ASP 12 2HB ASP 12 6.093 9.213 9.213
96 2HB ASP 12 1HB ASP 12 7.586 9.497 9.497
97 H ALA 13 H ALA 13 4.131 11.783 11.783
98 HA ALA 13 HA ALA 13 6.129 13.894 13.894
99 1HB ALA 13 2HB ALA 13 3.324 13.479 13.479
100 2HB ALA 13 1HB ALA 13 4.500 14.779 14.779
101 3HB ALA 13 3HB ALA 13 4.908 13.071 13.071
102 H GLU 14 H GLU 14 3.172 13.154 13.154
103 HA GLU 14 HA GLU 14 2.369 15.855 15.855
104 1HB GLU 14 2HB GLU 14 1.025 13.391 13.391
105 2HB GLU 14 1HB GLU 14 1.053 13.797 13.797
106 1HG GLU 14 2HG GLU 14 0.196 16.216 16.216
107 2HG GLU 14 1HG GLU 14 -0.283 15.135 15.135
108 H GLN 15 H GLN 15 3.935 13.328 13.328
109 HA GLN 15 HA GLN 15 3.957 15.043 15.043
110 1HB GLN 15 2HB GLN 15 3.925 12.399 12.399
111 2HB GLN 15 1HB GLN 15 5.679 12.503 12.503
112 1HG GLN 15 2HG GLN 15 3.698 13.734 13.734
113 2HG GLN 15 1HG GLN 15 4.248 12.030 12.030
114 1HE2 GLN 15 2HE2 GLN 15 6.786 14.963 14.963
115 2HE2 GLN 15 1HE2 GLN 15 5.776 15.418 15.418
116 H ALA 16 H ALA 16 6.246 14.388 14.388
117 HA ALA 16 HA ALA 16 8.523 15.504 15.504
118 1HB ALA 16 2HB ALA 16 8.703 13.750 13.750
119 2HB ALA 16 1HB ALA 16 8.108 14.912 14.912
120 3HB ALA 16 3HB ALA 16 9.681 15.204 15.204
121 H ALA 17 H ALA 17 5.799 17.017 17.017
122 HA ALA 17 HA ALA 17 7.121 19.570 19.570
123 1HB ALA 17 1HB ALA 17 4.122 18.817 18.817
124 2HB ALA 17 3HB ALA 17 4.778 20.443 20.443
125 3HB ALA 17 2HB ALA 17 5.159 18.994 18.994
126 H LYS 18 H LYS 18 5.538 17.852 17.852
127 HA LYS 18 HA LYS 18 4.992 20.222 20.222
128 1HB LYS 18 2HB LYS 18 4.452 17.252 17.252
129 2HB LYS 18 1HB LYS 18 3.855 18.649 18.649
130 1HG LYS 18 2HG LYS 18 2.437 19.392 19.392
131 2HG LYS 18 1HG LYS 18 3.166 18.233 18.233
132 1HD LYS 18 2HD LYS 18 2.404 16.328 16.328
133 2HD LYS 18 1HD LYS 18 1.477 17.401 17.401
134 1HE LYS 18 2HE LYS 18 -0.046 18.084 18.084
135 2HE LYS 18 1HE LYS 18 1.037 17.297 17.297
136 1HZ LYS 18 3HZ LYS 18 0.596 15.164 15.164
137 2HZ LYS 18 2HZ LYS 18 -0.761 15.977 15.977
138 3HZ LYS 18 1HZ LYS 18 -0.558 15.690 15.690
139 H ASP 19 H ASP 19 7.164 17.367 17.367
140 HA ASP 19 HA ASP 19 8.445 18.034 18.034
141 1HB ASP 19 2HB ASP 19 8.437 15.691 15.691
142 2HB ASP 19 1HB ASP 19 10.151 16.110 16.110
143 H ALA 20 H ALA 20 8.615 19.233 19.233
144 HA ALA 20 HA ALA 20 11.357 20.159 20.159
145 1HB ALA 20 3HB ALA 20 10.156 19.506 19.506
146 2HB ALA 20 2HB ALA 20 8.998 20.855 20.855
147 3HB ALA 20 1HB ALA 20 10.745 21.201 21.201
148 H GLU 21 H GLU 21 8.121 21.428 21.428
149 HA GLU 21 HA GLU 21 9.270 24.097 24.097
150 1HB GLU 21 2HB GLU 21 6.998 24.902 24.902
151 2HB GLU 21 1HB GLU 21 7.241 24.266 24.266
152 1HG GLU 21 2HG GLU 21 5.173 23.506 23.506
153 2HG GLU 21 1HG GLU 21 6.101 22.046 22.046
154 H ASN 22 H ASN 22 8.419 21.173 21.173
155 HA ASN 22 HA ASN 22 8.427 22.279 22.279
156 1HB ASN 22 2HB ASN 22 8.310 19.415 19.415
157 2HB ASN 22 1HB ASN 22 8.573 19.698 19.698
158 1HD2 ASN 22 2HD2 ASN 22 4.808 20.223 20.223
159 2HD2 ASN 22 1HD2 ASN 22 6.030 19.702 19.702
160 H ALA 23 H ALA 23 10.893 21.997 21.997
161 HA ALA 23 HA ALA 23 12.965 20.968 20.968
162 1HB ALA 23 3HB ALA 23 12.992 20.604 20.604
163 2HB ALA 23 2HB ALA 23 13.173 22.356 22.356
164 3HB ALA 23 1HB ALA 23 14.477 21.443 21.443
165 H SER 24 H SER 24 11.753 24.210 24.210
166 HA SER 24 HA SER 24 13.801 25.461 25.461
167 1HB SER 24 2HB SER 24 13.273 26.481 26.481
168 2HB SER 24 1HB SER 24 11.686 27.011 27.011
169 HG SER 24 HG SER 24 12.831 28.275 28.275
170 H LYS 25 H LYS 25 10.312 24.783 24.783
171 HA LYS 25 HA LYS 25 9.433 26.408 26.408
172 1HB LYS 25 2HB LYS 25 8.783 23.559 23.559
173 2HB LYS 25 1HB LYS 25 7.748 24.359 24.359
174 1HG LYS 25 2HG LYS 25 8.192 25.438 25.438
175 2HG LYS 25 1HG LYS 25 6.831 24.396 24.396
176 1HD LYS 25 2HD LYS 25 7.366 27.321 27.321
177 2HD LYS 25 1HD LYS 25 6.139 26.601 26.601
178 1HE LYS 25 2HE LYS 25 4.912 27.042 27.042
179 2HE LYS 25 1HE LYS 25 5.233 25.268 25.268
180 1HZ LYS 25 2HZ LYS 25 7.252 26.912 26.912
181 2HZ LYS 25 1HZ LYS 25 5.663 27.134 27.134
182 3HZ LYS 25 3HZ LYS 25 6.374 25.590 25.590
183 H GLU 26 H GLU 26 11.312 23.535 23.535
184 HA GLU 26 HA GLU 26 11.020 23.200 23.200
185 1HB GLU 26 2HB GLU 26 11.616 21.516 21.516
186 2HB GLU 26 1HB GLU 26 13.247 22.218 22.218
187 1HG GLU 26 2HG GLU 26 14.005 21.137 21.137
188 2HG GLU 26 1HG GLU 26 12.543 21.607 21.607
189 H ALA 27 H ALA 27 12.915 25.519 25.519
190 HA ALA 27 HA ALA 27 14.662 26.194 26.194
191 1HB ALA 27 1HB ALA 27 14.503 27.425 27.425
192 2HB ALA 27 3HB ALA 27 15.654 27.901 27.901
193 3HB ALA 27 2HB ALA 27 15.726 26.262 26.262
194 H GLU 28 H GLU 28 12.120 27.673 27.673
195 HA GLU 28 HA GLU 28 11.709 29.986 29.986
196 1HB GLU 28 2HB GLU 28 9.906 28.476 28.476
197 2HB GLU 28 1HB GLU 28 9.331 29.966 29.966
198 1HG GLU 28 2HG GLU 28 10.049 30.573 30.573
199 2HG GLU 28 1HG GLU 28 11.139 31.350 31.350
200 H GLU 29 H GLU 29 9.931 26.823 26.823
201 HA GLU 29 HA GLU 29 8.513 28.138 28.138
202 1HB GLU 29 2HB GLU 29 7.040 26.350 26.350
203 2HB GLU 29 1HB GLU 29 7.211 26.674 26.674
204 1HG GLU 29 2HG GLU 29 8.949 24.592 24.592
205 2HG GLU 29 1HG GLU 29 8.131 24.251 24.251
206 H ALA 30 H ALA 30 11.607 26.860 26.860
207 HA ALA 30 HA ALA 30 11.610 25.966 25.966
208 1HB ALA 30 2HB ALA 30 13.022 24.644 24.644
209 2HB ALA 30 1HB ALA 30 13.967 26.092 26.092
210 3HB ALA 30 3HB ALA 30 14.021 25.469 25.469
211 H ALA 31 H ALA 31 13.092 28.406 28.406
212 HA ALA 31 HA ALA 31 13.890 30.159 30.159
213 1HB ALA 31 1HB ALA 31 15.345 29.787 29.787
214 2HB ALA 31 3HB ALA 31 14.084 30.548 30.548
215 3HB ALA 31 2HB ALA 31 14.909 31.514 31.514
216 H LYS 32 H LYS 32 11.283 29.752 29.752
217 HA LYS 32 HA LYS 32 10.523 32.431 32.431
218 1HB LYS 32 2HB LYS 32 9.434 32.042 32.042
219 2HB LYS 32 1HB LYS 32 8.485 30.694 30.694
220 1HG LYS 32 2HG LYS 32 7.421 32.306 32.306
221 2HG LYS 32 1HG LYS 32 8.500 33.612 33.612
222 1HD LYS 32 2HD LYS 32 7.391 33.339 33.339
223 2HD LYS 32 1HD LYS 32 6.202 32.233 32.233
224 1HE LYS 32 2HE LYS 32 6.685 35.252 35.252
225 2HE LYS 32 1HE LYS 32 5.222 34.519 34.519
226 1HZ LYS 32 1HZ LYS 32 6.214 34.073 34.073
227 2HZ LYS 32 3HZ LYS 32 5.030 35.106 35.106
228 3HZ LYS 32 2HZ LYS 32 4.767 33.434 33.434
229 H GLU 33 H GLU 33 9.280 28.971 28.971
230 HA GLU 33 HA GLU 33 8.077 29.471 29.471
231 1HB GLU 33 2HB GLU 33 8.041 26.953 26.953
232 2HB GLU 33 1HB GLU 33 7.264 27.121 27.121
233 1HG GLU 33 2HG GLU 33 5.843 28.982 28.982
234 2HG GLU 33 1HG GLU 33 6.568 28.885 28.885
235 H ALA 34 H ALA 34 11.322 28.128 28.128
236 HA ALA 34 HA ALA 34 11.440 27.194 27.194
237 1HB ALA 34 2HB ALA 34 12.507 25.698 25.698
238 2HB ALA 34 1HB ALA 34 13.618 27.012 27.012
239 3HB ALA 34 3HB ALA 34 13.709 26.326 26.326
240 H VAL 35 H VAL 35 12.570 29.812 29.812
241 HA VAL 35 HA VAL 35 14.675 30.625 30.625
242 HB VAL 35 HB VAL 35 13.640 31.756 31.756
243 1HG1 VAL 35 3HG1 VAL 35 16.174 32.563 32.563
244 2HG1 VAL 35 2HG1 VAL 35 15.845 32.969 32.969
245 3HG1 VAL 35 1HG1 VAL 35 14.815 33.647 33.647
246 1HG2 VAL 35 1HG2 VAL 35 16.032 29.959 29.959
247 2HG2 VAL 35 3HG2 VAL 35 14.603 29.443 29.443
248 3HG2 VAL 35 2HG2 VAL 35 15.765 30.633 30.633
249 H ASN 36 H ASN 36 11.298 31.491 31.491
250 HA ASN 36 HA ASN 36 11.620 33.256 33.256
251 1HB ASN 36 2HB ASN 36 10.629 35.292 35.292
252 2HB ASN 36 1HB ASN 36 12.129 34.933 34.933
253 1HD2 ASN 36 2HD2 ASN 36 10.050 33.957 33.957
254 2HD2 ASN 36 1HD2 ASN 36 11.617 33.624 33.624
255 H LEU 37 H LEU 37 9.431 31.616 31.616
256 HA LEU 37 HA LEU 37 7.797 30.294 30.294
257 1HB LEU 37 2HB LEU 37 8.850 29.855 29.855
258 2HB LEU 37 1HB LEU 37 7.789 31.141 31.141
259 HG LEU 37 HG LEU 37 5.987 29.416 29.416
260 1HD1 LEU 37 1HD1 LEU 37 8.094 27.624 27.624
261 2HD1 LEU 37 3HD1 LEU 37 6.401 27.154 27.154
262 3HD1 LEU 37 2HD1 LEU 37 7.519 27.628 27.628
263 1HD2 LEU 37 3HD2 LEU 37 5.710 30.634 30.634
264 2HD2 LEU 37 2HD2 LEU 37 5.279 28.893 28.893
265 3HD2 LEU 37 1HD2 LEU 37 6.869 29.518 29.518
266 H LYS 38 HN LYS 38 7.692 33.346 33.346
267 HA LYS 38 HA LYS 38 4.872 33.535 33.535
268 1HB LYS 38 2HB LYS 38 4.952 35.884 35.884
269 2HB LYS 38 1HB LYS 38 5.188 34.574 34.574
270 1HG LYS 38 2HG LYS 38 7.713 34.863 34.863
271 2HG LYS 38 1HG LYS 38 7.366 36.357 36.357
272 1HD LYS 38 2HD LYS 38 6.594 37.466 37.466
273 2HD LYS 38 1HD LYS 38 6.210 35.948 35.948
274 1HE LYS 38 2HE LYS 38 9.107 36.765 36.765
275 2HE LYS 38 1HE LYS 38 8.324 37.239 37.239
276 1HZ LYS 38 2HZ LYS 38 8.643 34.370 34.370
277 2HZ LYS 38 1HZ LYS 38 9.704 35.201 35.201
278 3HZ LYS 38 3HZ LYS 38 8.098 34.972 34.972
Start of MODEL 6
1 1H GLU 1 2H GLU 1 3.782 5.264 5.264
2 2H GLU 1 1H GLU 1 5.289 5.691 5.691
3 3H GLU 1 3H GLU 1 5.091 5.642 5.642
4 HA GLU 1 HA GLU 1 6.157 3.617 3.617
5 1HB GLU 1 2HB GLU 1 5.670 2.381 2.381
6 2HB GLU 1 1HB GLU 1 6.329 4.011 4.011
7 1HG GLU 1 2HG GLU 1 4.133 4.982 4.982
8 2HG GLU 1 1HG GLU 1 3.285 3.445 3.445
9 H ALA 2 H ALA 2 4.098 3.363 3.363
10 HA ALA 2 HA ALA 2 2.155 1.376 1.376
11 1HB ALA 2 1HB ALA 2 1.261 3.592 3.592
12 2HB ALA 2 3HB ALA 2 1.893 3.233 3.233
13 3HB ALA 2 2HB ALA 2 0.583 2.215 2.215
14 H TYR 3 H TYR 3 1.341 1.095 1.095
15 HA TYR 3 HA TYR 3 3.238 0.291 0.291
16 1HB TYR 3 2HB TYR 3 3.311 -1.934 -1.934
17 2HB TYR 3 1HB TYR 3 1.617 -2.224 -2.224
18 HD1 TYR 3 HD1 TYR 3 4.688 -0.985 -0.985
19 HD2 TYR 3 HD2 TYR 3 1.742 -4.112 -4.112
20 HE1 TYR 3 HE1 TYR 3 5.595 -2.138 -2.138
21 HE2 TYR 3 HE2 TYR 3 2.701 -5.281 -5.281
22 HH TYR 3 HH TYR 3 4.350 -5.278 -5.278
23 H LYS 4 H LYS 4 1.730 -0.477 -0.477
24 HA LYS 4 HA LYS 4 -1.097 -0.421 -0.421
25 1HB LYS 4 2HB LYS 4 0.119 1.469 1.469
26 2HB LYS 4 1HB LYS 4 -1.586 0.896 0.896
27 1HG LYS 4 2HG LYS 4 -0.385 2.647 2.647
28 2HG LYS 4 1HG LYS 4 -1.562 3.105 3.105
29 1HD LYS 4 2HD LYS 4 -3.265 1.562 1.562
30 2HD LYS 4 1HD LYS 4 -2.083 1.049 1.049
31 1HE LYS 4 2HE LYS 4 -1.952 3.390 3.390
32 2HE LYS 4 1HE LYS 4 -3.279 3.855 3.855
33 1HZ LYS 4 3HZ LYS 4 -4.562 1.980 1.980
34 2HZ LYS 4 2HZ LYS 4 -3.390 1.834 1.834
35 3HZ LYS 4 1HZ LYS 4 -4.285 3.275 3.275
36 H LYS 5 H LYS 5 0.853 -0.460 -0.460
37 HA LYS 5 HA LYS 5 0.284 -3.266 -3.266
38 1HB LYS 5 2HB LYS 5 -0.958 -1.080 -1.080
39 2HB LYS 5 1HB LYS 5 -0.715 -2.773 -2.773
40 1HG LYS 5 2HG LYS 5 -2.442 -1.983 -1.983
41 2HG LYS 5 1HG LYS 5 -3.052 -2.154 -2.154
42 1HD LYS 5 2HD LYS 5 -2.895 -4.427 -4.427
43 2HD LYS 5 1HD LYS 5 -1.518 -4.553 -4.553
44 1HE LYS 5 2HE LYS 5 -4.371 -3.757 -3.757
45 2HE LYS 5 1HE LYS 5 -3.760 -5.461 -5.461
46 1HZ LYS 5 2HZ LYS 5 -2.229 -3.326 -3.326
47 2HZ LYS 5 1HZ LYS 5 -3.556 -4.156 -4.156
48 3HZ LYS 5 3HZ LYS 5 -2.191 -4.991 -4.991
49 H ALA 6 H ALA 6 0.928 -0.684 -0.684
50 HA ALA 6 HA ALA 6 3.529 -1.844 -1.844
51 1HB ALA 6 1HB ALA 6 1.942 -1.308 -1.308
52 2HB ALA 6 3HB ALA 6 2.045 0.436 0.436
53 3HB ALA 6 2HB ALA 6 3.510 -0.457 -0.457
54 H LYS 7 H LYS 7 2.222 1.382 1.382
55 HA LYS 7 HA LYS 7 4.891 2.219 2.219
56 1HB LYS 7 2HB LYS 7 2.537 4.092 4.092
57 2HB LYS 7 1HB LYS 7 4.180 4.536 4.536
58 1HG LYS 7 2HG LYS 7 5.063 3.222 3.222
59 2HG LYS 7 1HG LYS 7 3.391 3.388 3.388
60 1HD LYS 7 2HD LYS 7 3.620 5.914 5.914
61 2HD LYS 7 1HD LYS 7 5.257 5.655 5.655
62 1HE LYS 7 2HE LYS 7 5.996 4.509 4.509
63 2HE LYS 7 1HE LYS 7 4.419 4.974 4.974
64 1HZ LYS 7 3HZ LYS 7 6.360 6.927 6.927
65 2HZ LYS 7 2HZ LYS 7 6.321 6.466 6.466
66 3HZ LYS 7 1HZ LYS 7 4.994 7.269 7.269
67 H GLN 8 H GLN 8 4.254 4.043 4.043
68 HA GLN 8 HA GLN 8 3.000 2.376 2.376
69 1HB GLN 8 2HB GLN 8 5.123 4.604 4.604
70 2HB GLN 8 1HB GLN 8 4.401 3.766 3.766
71 1HG GLN 8 2HG GLN 8 5.302 1.620 1.620
72 2HG GLN 8 1HG GLN 8 6.064 2.330 2.330
73 1HE2 GLN 8 2HE2 GLN 8 8.626 2.290 2.290
74 2HE2 GLN 8 1HE2 GLN 8 7.699 1.059 1.059
75 H ALA 9 H ALA 9 3.163 5.222 5.222
76 HA ALA 9 HA ALA 9 0.422 5.952 5.952
77 1HB ALA 9 3HB ALA 9 2.076 6.171 6.171
78 2HB ALA 9 2HB ALA 9 0.376 6.765 6.765
79 3HB ALA 9 1HB ALA 9 0.732 5.025 5.025
80 H SER 10 H SER 10 0.288 8.376 8.376
81 HA SER 10 HA SER 10 2.466 10.000 10.000
82 1HB SER 10 2HB SER 10 -0.535 10.771 10.771
83 2HB SER 10 1HB SER 10 0.814 11.568 11.568
84 HG SER 10 HG SER 10 0.990 9.403 9.403
85 H GLN 11 H GLN 11 2.042 9.120 9.120
86 HA GLN 11 HA GLN 11 1.071 11.553 11.553
87 1HB GLN 11 2HB GLN 11 0.683 10.186 10.186
88 2HB GLN 11 1HB GLN 11 -0.090 9.573 9.573
89 1HG GLN 11 2HG GLN 11 0.517 7.558 7.558
90 2HG GLN 11 1HG GLN 11 2.118 7.937 7.937
91 1HE2 GLN 11 2HE2 GLN 11 1.953 6.945 6.945
92 2HE2 GLN 11 1HE2 GLN 11 1.253 6.170 6.170
93 H ASP 12 H ASP 12 3.873 9.355 9.355
94 HA ASP 12 HA ASP 12 5.470 10.424 10.424
95 1HB ASP 12 2HB ASP 12 6.626 8.917 8.917
96 2HB ASP 12 1HB ASP 12 7.067 8.786 8.786
97 H ALA 13 H ALA 13 4.859 11.244 11.244
98 HA ALA 13 HA ALA 13 7.135 12.971 12.971
99 1HB ALA 13 3HB ALA 13 4.673 12.271 12.271
100 2HB ALA 13 2HB ALA 13 6.058 13.313 13.313
101 3HB ALA 13 1HB ALA 13 6.320 11.578 11.578
102 H GLU 14 H GLU 14 3.853 13.257 13.257
103 HA GLU 14 HA GLU 14 3.756 16.118 16.118
104 1HB GLU 14 2HB GLU 14 1.623 14.758 14.758
105 2HB GLU 14 1HB GLU 14 1.789 14.314 14.314
106 1HG GLU 14 2HG GLU 14 2.069 17.178 17.178
107 2HG GLU 14 1HG GLU 14 0.897 16.800 16.800
108 H GLN 15 H GLN 15 3.951 13.641 13.641
109 HA GLN 15 HA GLN 15 3.920 15.441 15.441
110 1HB GLN 15 2HB GLN 15 3.314 13.100 13.100
111 2HB GLN 15 1HB GLN 15 5.010 12.577 12.577
112 1HG GLN 15 2HG GLN 15 5.642 13.346 13.346
113 2HG GLN 15 1HG GLN 15 4.506 14.720 14.720
114 1HE2 GLN 15 2HE2 GLN 15 1.987 13.071 13.071
115 2HE2 GLN 15 1HE2 GLN 15 2.792 14.541 14.541
116 H ALA 16 H ALA 16 6.662 14.117 14.117
117 HA ALA 16 HA ALA 16 8.791 15.143 15.143
118 1HB ALA 16 1HB ALA 16 8.920 13.412 13.412
119 2HB ALA 16 3HB ALA 16 8.562 14.661 14.661
120 3HB ALA 16 2HB ALA 16 10.090 14.740 14.740
121 H ALA 17 H ALA 17 6.434 16.989 16.989
122 HA ALA 17 HA ALA 17 8.195 19.319 19.319
123 1HB ALA 17 1HB ALA 17 6.645 18.790 18.790
124 2HB ALA 17 3HB ALA 17 5.236 19.009 19.009
125 3HB ALA 17 2HB ALA 17 6.316 20.413 20.413
126 H LYS 18 H LYS 18 5.735 18.021 18.021
127 HA LYS 18 HA LYS 18 5.295 20.527 20.527
128 1HB LYS 18 2HB LYS 18 4.068 17.720 17.720
129 2HB LYS 18 1HB LYS 18 3.736 19.128 19.128
130 1HG LYS 18 2HG LYS 18 3.067 20.471 20.471
131 2HG LYS 18 1HG LYS 18 3.188 18.986 18.986
132 1HD LYS 18 2HD LYS 18 1.332 17.928 17.928
133 2HD LYS 18 1HD LYS 18 1.427 19.243 19.243
134 1HE LYS 18 2HE LYS 18 -0.543 19.523 19.523
135 2HE LYS 18 1HE LYS 18 0.591 20.928 20.928
136 1HZ LYS 18 3HZ LYS 18 0.474 18.502 18.502
137 2HZ LYS 18 2HZ LYS 18 -0.238 20.000 20.000
138 3HZ LYS 18 1HZ LYS 18 1.461 19.887 19.887
139 H ASP 19 H ASP 19 7.110 17.477 17.477
140 HA ASP 19 HA ASP 19 7.945 17.813 17.813
141 1HB ASP 19 2HB ASP 19 9.041 16.091 16.091
142 2HB ASP 19 1HB ASP 19 9.622 15.966 15.966
143 H ALA 20 H ALA 20 8.644 19.775 19.775
144 HA ALA 20 HA ALA 20 11.296 20.629 20.629
145 1HB ALA 20 2HB ALA 20 9.362 21.743 21.743
146 2HB ALA 20 1HB ALA 20 10.987 22.449 22.449
147 3HB ALA 20 3HB ALA 20 10.841 20.784 20.784
148 H GLU 21 H GLU 21 7.804 21.422 21.422
149 HA GLU 21 HA GLU 21 8.359 23.985 23.985
150 1HB GLU 21 2HB GLU 21 5.790 22.582 22.582
151 2HB GLU 21 1HB GLU 21 5.770 24.119 24.119
152 1HG GLU 21 2HG GLU 21 6.877 25.374 25.374
153 2HG GLU 21 1HG GLU 21 7.160 23.902 23.902
154 H ASN 22 H ASN 22 7.184 20.737 20.737
155 HA ASN 22 HA ASN 22 6.994 20.960 20.960
156 1HB ASN 22 2HB ASN 22 7.003 18.542 18.542
157 2HB ASN 22 1HB ASN 22 7.094 18.254 18.254
158 1HD2 ASN 22 2HD2 ASN 22 3.484 18.639 18.639
159 2HD2 ASN 22 1HD2 ASN 22 4.869 18.339 18.339
160 H ALA 23 H ALA 23 9.705 21.103 21.103
161 HA ALA 23 HA ALA 23 11.450 19.825 19.825
162 1HB ALA 23 2HB ALA 23 11.971 19.561 19.561
163 2HB ALA 23 1HB ALA 23 12.221 21.336 21.336
164 3HB ALA 23 3HB ALA 23 13.294 20.347 20.347
165 H SER 24 H SER 24 10.898 23.150 23.150
166 HA SER 24 HA SER 24 12.311 24.359 24.359
167 1HB SER 24 2HB SER 24 11.786 26.498 26.498
168 2HB SER 24 1HB SER 24 12.933 25.238 25.238
169 HG SER 24 HG SER 24 10.251 25.561 25.561
170 H LYS 25 H LYS 25 9.258 23.239 23.239
171 HA LYS 25 HA LYS 25 7.994 25.604 25.604
172 1HB LYS 25 2HB LYS 25 6.051 24.267 24.267
173 2HB LYS 25 1HB LYS 25 6.778 23.861 23.861
174 1HG LYS 25 2HG LYS 25 6.035 21.906 21.906
175 2HG LYS 25 1HG LYS 25 7.786 21.737 21.737
176 1HD LYS 25 2HD LYS 25 7.330 21.897 21.897
177 2HD LYS 25 1HD LYS 25 5.681 22.519 22.519
178 1HE LYS 25 2HE LYS 25 6.735 19.653 19.653
179 2HE LYS 25 1HE LYS 25 5.761 20.119 20.119
180 1HZ LYS 25 3HZ LYS 25 4.041 20.904 20.904
181 2HZ LYS 25 2HZ LYS 25 4.862 19.883 19.883
182 3HZ LYS 25 1HZ LYS 25 4.229 19.266 19.266
183 H GLU 26 H GLU 26 9.876 22.969 22.969
184 HA GLU 26 HA GLU 26 9.742 23.743 23.743
185 1HB GLU 26 2HB GLU 26 9.587 21.433 21.433
186 2HB GLU 26 1HB GLU 26 11.300 21.431 21.431
187 1HG GLU 26 2HG GLU 26 12.081 21.550 21.550
188 2HG GLU 26 1HG GLU 26 10.567 22.318 22.318
189 H ALA 27 H ALA 27 10.855 25.537 25.537
190 HA ALA 27 HA ALA 27 13.520 26.074 26.074
191 1HB ALA 27 2HB ALA 27 13.321 26.350 26.350
192 2HB ALA 27 1HB ALA 27 12.045 27.580 27.580
193 3HB ALA 27 3HB ALA 27 13.718 27.903 27.903
194 H GLU 28 H GLU 28 10.436 26.423 26.423
195 HA GLU 28 HA GLU 28 10.103 29.172 29.172
196 1HB GLU 28 2HB GLU 28 8.208 27.591 27.591
197 2HB GLU 28 1HB GLU 28 8.553 26.894 26.894
198 1HG GLU 28 2HG GLU 28 8.005 29.154 29.154
199 2HG GLU 28 1HG GLU 28 7.811 29.853 29.853
200 H GLU 29 H GLU 29 11.550 26.652 26.652
201 HA GLU 29 HA GLU 29 12.295 28.774 28.774
202 1HB GLU 29 2HB GLU 29 12.737 25.734 25.734
203 2HB GLU 29 1HB GLU 29 13.351 26.843 26.843
204 1HG GLU 29 2HG GLU 29 11.003 27.464 27.464
205 2HG GLU 29 1HG GLU 29 10.381 26.290 26.290
206 H ALA 30 H ALA 30 13.565 28.138 28.138
207 HA ALA 30 HA ALA 30 16.341 28.596 28.596
208 1HB ALA 30 3HB ALA 30 15.226 28.343 28.343
209 2HB ALA 30 2HB ALA 30 16.949 28.661 28.661
210 3HB ALA 30 1HB ALA 30 16.160 27.118 27.118
211 H ALA 31 H ALA 31 13.543 30.153 30.153
212 HA ALA 31 HA ALA 31 14.559 32.770 32.770
213 1HB ALA 31 1HB ALA 31 12.654 31.927 31.927
214 2HB ALA 31 3HB ALA 31 11.664 31.685 31.685
215 3HB ALA 31 2HB ALA 31 12.116 33.353 33.353
216 H LYS 32 H LYS 32 15.112 31.750 31.750
217 HA LYS 32 HA LYS 32 13.857 33.699 33.699
218 1HB LYS 32 2HB LYS 32 13.210 31.311 31.311
219 2HB LYS 32 1HB LYS 32 14.932 30.829 30.829
220 1HG LYS 32 2HG LYS 32 14.163 30.883 30.883
221 2HG LYS 32 1HG LYS 32 15.293 32.238 32.238
222 1HD LYS 32 2HD LYS 32 12.662 33.259 33.259
223 2HD LYS 32 1HD LYS 32 12.477 32.201 32.201
224 1HE LYS 32 2HE LYS 32 14.264 33.552 33.552
225 2HE LYS 32 1HE LYS 32 14.485 34.567 34.567
226 1HZ LYS 32 3HZ LYS 32 12.046 35.069 35.069
227 2HZ LYS 32 2HZ LYS 32 12.083 34.384 34.384
228 3HZ LYS 32 1HZ LYS 32 12.972 35.791 35.791
229 H GLU 33 H GLU 33 16.933 31.817 31.817
230 HA GLU 33 HA GLU 33 18.474 34.047 34.047
231 1HB GLU 33 2HB GLU 33 19.524 31.363 31.363
232 2HB GLU 33 1HB GLU 33 20.499 32.659 32.659
233 1HG GLU 33 2HG GLU 33 20.309 31.054 31.054
234 2HG GLU 33 1HG GLU 33 19.122 32.324 32.324
235 H ALA 34 H ALA 34 17.385 32.863 32.863
236 HA ALA 34 HA ALA 34 19.548 34.169 34.169
237 1HB ALA 34 1HB ALA 34 18.649 31.978 31.978
238 2HB ALA 34 3HB ALA 34 17.073 32.739 32.739
239 3HB ALA 34 2HB ALA 34 18.565 33.219 33.219
240 H VAL 35 H VAL 35 16.088 34.936 34.936
241 HA VAL 35 HA VAL 35 16.282 37.147 37.147
242 HB VAL 35 HB VAL 35 13.854 35.639 35.639
243 1HG1 VAL 35 2HG1 VAL 35 14.104 37.817 37.817
244 2HG1 VAL 35 1HG1 VAL 35 12.646 36.789 36.789
245 3HG1 VAL 35 3HG1 VAL 35 13.157 37.948 37.948
246 1HG2 VAL 35 3HG2 VAL 35 15.377 35.511 35.511
247 2HG2 VAL 35 2HG2 VAL 35 15.295 34.209 34.209
248 3HG2 VAL 35 1HG2 VAL 35 13.817 34.691 34.691
249 H ASN 36 H ASN 36 16.453 36.625 36.625
250 HA ASN 36 HA ASN 36 16.340 39.278 39.278
251 1HB ASN 36 2HB ASN 36 14.495 39.349 39.349
252 2HB ASN 36 1HB ASN 36 13.828 39.148 39.148
253 1HD2 ASN 36 2HD2 ASN 36 12.864 35.651 35.651
254 2HD2 ASN 36 1HD2 ASN 36 13.144 36.772 36.772
255 H LEU 37 H LEU 37 16.206 38.726 38.726
256 HA LEU 37 HA LEU 37 17.006 36.259 36.259
257 1HB LEU 37 2HB LEU 37 19.404 36.962 36.962
258 2HB LEU 37 1HB LEU 37 19.158 36.198 36.198
259 HG LEU 37 HG LEU 37 19.378 38.322 38.322
260 1HD1 LEU 37 2HD1 LEU 37 20.215 39.574 39.574
261 2HD1 LEU 37 1HD1 LEU 37 20.405 40.326 40.326
262 3HD1 LEU 37 3HD1 LEU 37 18.766 40.009 40.009
263 1HD2 LEU 37 2HD2 LEU 37 21.174 36.742 36.742
264 2HD2 LEU 37 1HD2 LEU 37 21.816 38.424 38.424
265 3HD2 LEU 37 3HD2 LEU 37 21.751 37.478 37.478
266 H LYS 38 HN LYS 38 14.961 37.569 37.569
267 HA LYS 38 HA LYS 38 15.505 39.184 39.184
268 1HB LYS 38 2HB LYS 38 13.012 39.210 39.210
269 2HB LYS 38 1HB LYS 38 13.269 40.120 40.120
270 1HG LYS 38 2HG LYS 38 15.204 41.298 41.298
271 2HG LYS 38 1HG LYS 38 14.776 40.524 40.524
272 1HD LYS 38 2HD LYS 38 12.458 41.516 41.516
273 2HD LYS 38 1HD LYS 38 12.904 42.343 42.343
274 1HE LYS 38 2HE LYS 38 14.098 42.830 42.830
275 2HE LYS 38 1HE LYS 38 13.026 43.945 43.945
276 1HZ LYS 38 3HZ LYS 38 14.824 43.896 43.896
277 2HZ LYS 38 2HZ LYS 38 15.785 43.072 43.072
278 3HZ LYS 38 1HZ LYS 38 15.250 44.670 44.670
Start of MODEL 7
1 1H GLU 1 1H GLU 1 10.234 32.172 32.172
2 2H GLU 1 3H GLU 1 11.322 33.499 33.499
3 3H GLU 1 2H GLU 1 9.741 33.708 33.708
4 HA GLU 1 HA GLU 1 10.917 33.469 33.469
5 1HB GLU 1 2HB GLU 1 12.712 31.507 31.507
6 2HB GLU 1 1HB GLU 1 12.914 31.694 31.694
7 1HG GLU 1 2HG GLU 1 14.562 32.934 32.934
8 2HG GLU 1 1HG GLU 1 13.872 33.860 33.860
9 H ALA 2 H ALA 2 9.416 32.216 32.216
10 HA ALA 2 HA ALA 2 8.300 30.561 30.561
11 1HB ALA 2 3HB ALA 2 10.341 29.146 29.146
12 2HB ALA 2 2HB ALA 2 9.798 28.612 28.612
13 3HB ALA 2 1HB ALA 2 8.841 28.166 28.166
14 H TYR 3 H TYR 3 6.824 32.038 32.038
15 HA TYR 3 HA TYR 3 5.520 30.239 30.239
16 1HB TYR 3 2HB TYR 3 6.018 32.605 32.605
17 2HB TYR 3 1HB TYR 3 4.831 33.221 33.221
18 HD1 TYR 3 HD1 TYR 3 5.070 30.509 30.509
19 HD2 TYR 3 HD2 TYR 3 2.624 33.511 33.511
20 HE1 TYR 3 HE1 TYR 3 3.164 29.814 29.814
21 HE2 TYR 3 HE2 TYR 3 0.724 32.837 32.837
22 HH TYR 3 HH TYR 3 0.001 31.463 31.463
23 H LYS 4 H LYS 4 3.719 29.112 29.112
24 HA LYS 4 HA LYS 4 1.963 29.444 29.444
25 1HB LYS 4 2HB LYS 4 4.614 28.719 28.719
26 2HB LYS 4 1HB LYS 4 3.869 27.130 27.130
27 1HG LYS 4 2HG LYS 4 2.811 29.510 29.510
28 2HG LYS 4 1HG LYS 4 3.821 28.146 28.146
29 1HD LYS 4 2HD LYS 4 2.021 26.544 26.544
30 2HD LYS 4 1HD LYS 4 0.937 27.965 27.965
31 1HE LYS 4 2HE LYS 4 1.120 28.585 28.585
32 2HE LYS 4 1HE LYS 4 2.296 27.232 27.232
33 1HZ LYS 4 3HZ LYS 4 0.548 25.689 25.689
34 2HZ LYS 4 2HZ LYS 4 -0.555 26.977 26.977
35 3HZ LYS 4 1HZ LYS 4 0.131 26.549 26.549
36 H LYS 5 H LYS 5 1.355 26.664 26.664
37 HA LYS 5 HA LYS 5 2.099 25.502 25.502
38 1HB LYS 5 2HB LYS 5 -0.220 26.599 26.599
39 2HB LYS 5 1HB LYS 5 -0.743 25.390 25.390
40 1HG LYS 5 2HG LYS 5 -0.283 23.582 23.582
41 2HG LYS 5 1HG LYS 5 0.451 24.664 24.664
42 1HD LYS 5 2HD LYS 5 -2.390 25.150 25.150
43 2HD LYS 5 1HD LYS 5 -2.049 23.853 23.853
44 1HE LYS 5 2HE LYS 5 -2.790 25.806 25.806
45 2HE LYS 5 1HE LYS 5 -1.042 25.511 25.511
46 1HZ LYS 5 3HZ LYS 5 -2.148 27.563 27.563
47 2HZ LYS 5 2HZ LYS 5 -1.552 27.826 27.826
48 3HZ LYS 5 1HZ LYS 5 -0.502 27.337 27.337
49 H ALA 6 H ALA 6 3.757 24.587 24.587
50 HA ALA 6 HA ALA 6 3.020 22.878 22.878
51 1HB ALA 6 1HB ALA 6 5.031 24.364 24.364
52 2HB ALA 6 3HB ALA 6 5.793 23.499 23.499
53 3HB ALA 6 2HB ALA 6 5.460 22.626 22.626
54 H LYS 7 H LYS 7 2.928 22.633 22.633
55 HA LYS 7 HA LYS 7 3.596 19.785 19.785
56 1HB LYS 7 2HB LYS 7 3.279 20.353 20.353
57 2HB LYS 7 1HB LYS 7 4.700 21.085 21.085
58 1HG LYS 7 2HG LYS 7 4.028 23.253 23.253
59 2HG LYS 7 1HG LYS 7 2.302 22.913 22.913
60 1HD LYS 7 2HD LYS 7 2.484 23.677 23.677
61 2HD LYS 7 1HD LYS 7 1.877 21.983 21.983
62 1HE LYS 7 2HE LYS 7 4.289 21.182 21.182
63 2HE LYS 7 1HE LYS 7 4.695 22.880 22.880
64 1HZ LYS 7 1HZ LYS 7 2.344 21.576 21.576
65 2HZ LYS 7 3HZ LYS 7 3.921 21.098 21.098
66 3HZ LYS 7 2HZ LYS 7 3.528 22.719 22.719
67 H GLN 8 H GLN 8 1.769 18.581 18.581
68 HA GLN 8 HA GLN 8 -0.286 18.059 18.059
69 1HB GLN 8 2HB GLN 8 -0.716 20.350 20.350
70 2HB GLN 8 1HB GLN 8 -1.412 20.391 20.391
71 1HG GLN 8 2HG GLN 8 -3.243 18.861 18.861
72 2HG GLN 8 1HG GLN 8 -2.347 18.482 18.482
73 1HE2 GLN 8 2HE2 GLN 8 -4.531 21.957 21.957
74 2HE2 GLN 8 1HE2 GLN 8 -4.567 20.787 20.787
75 H ALA 9 H ALA 9 1.186 16.935 16.935
76 HA ALA 9 HA ALA 9 0.061 16.560 16.560
77 1HB ALA 9 3HB ALA 9 2.485 17.217 17.217
78 2HB ALA 9 2HB ALA 9 2.854 15.622 15.622
79 3HB ALA 9 1HB ALA 9 2.167 15.705 15.705
80 H SER 10 H SER 10 1.112 14.542 14.542
81 HA SER 10 HA SER 10 -0.592 12.493 12.493
82 1HB SER 10 2HB SER 10 2.138 11.987 11.987
83 2HB SER 10 1HB SER 10 1.116 10.637 10.637
84 HG SER 10 HG SER 10 0.030 12.607 12.607
85 H GLN 11 H GLN 11 0.777 10.559 10.559
86 HA GLN 11 HA GLN 11 1.534 11.320 11.320
87 1HB GLN 11 2HB GLN 11 2.423 8.899 8.899
88 2HB GLN 11 1HB GLN 11 0.767 9.143 9.143
89 1HG GLN 11 2HG GLN 11 1.190 7.698 7.698
90 2HG GLN 11 1HG GLN 11 2.021 9.000 9.000
91 1HE2 GLN 11 2HE2 GLN 11 5.154 7.309 7.309
92 2HE2 GLN 11 1HE2 GLN 11 4.253 8.603 8.603
93 H ASP 12 H ASP 12 3.688 10.926 10.926
94 HA ASP 12 HA ASP 12 6.149 11.196 11.196
95 1HB ASP 12 2HB ASP 12 4.831 12.461 12.461
96 2HB ASP 12 1HB ASP 12 6.602 12.180 12.180
97 H ALA 13 H ALA 13 3.800 13.771 13.771
98 HA ALA 13 HA ALA 13 5.788 15.895 15.895
99 1HB ALA 13 1HB ALA 13 2.911 16.019 16.019
100 2HB ALA 13 3HB ALA 13 4.012 17.444 17.444
101 3HB ALA 13 2HB ALA 13 4.432 16.137 16.137
102 H GLU 14 H GLU 14 2.881 14.354 14.354
103 HA GLU 14 HA GLU 14 2.537 16.264 16.264
104 1HB GLU 14 2HB GLU 14 1.291 13.639 13.639
105 2HB GLU 14 1HB GLU 14 0.997 14.187 14.187
106 1HG GLU 14 2HG GLU 14 -0.807 14.856 14.856
107 2HG GLU 14 1HG GLU 14 -0.029 16.256 16.256
108 H GLN 15 H GLN 15 4.503 13.331 13.331
109 HA GLN 15 HA GLN 15 5.170 13.336 13.336
110 1HB GLN 15 2HB GLN 15 4.967 11.270 11.270
111 2HB GLN 15 1HB GLN 15 6.592 11.593 11.593
112 1HG GLN 15 2HG GLN 15 6.069 11.541 11.541
113 2HG GLN 15 1HG GLN 15 5.899 10.009 10.009
114 1HE2 GLN 15 2HE2 GLN 15 9.641 11.581 11.581
115 2HE2 GLN 15 1HE2 GLN 15 8.319 12.700 12.700
116 H ALA 16 H ALA 16 6.765 14.312 14.312
117 HA ALA 16 HA ALA 16 9.291 14.757 14.757
118 1HB ALA 16 2HB ALA 16 9.025 14.210 14.210
119 2HB ALA 16 1HB ALA 16 8.260 15.791 15.791
120 3HB ALA 16 3HB ALA 16 9.985 15.701 15.701
121 H ALA 17 H ALA 17 6.438 16.791 16.791
122 HA ALA 17 HA ALA 17 7.839 19.234 19.234
123 1HB ALA 17 3HB ALA 17 6.047 19.309 19.309
124 2HB ALA 17 2HB ALA 17 4.838 18.803 18.803
125 3HB ALA 17 1HB ALA 17 5.754 20.361 20.361
126 H LYS 18 H LYS 18 6.571 16.557 16.557
127 HA LYS 18 HA LYS 18 5.340 17.971 17.971
128 1HB LYS 18 2HB LYS 18 4.424 15.834 15.834
129 2HB LYS 18 1HB LYS 18 6.005 15.027 15.027
130 1HG LYS 18 2HG LYS 18 5.939 15.112 15.112
131 2HG LYS 18 1HG LYS 18 4.397 16.060 16.060
132 1HD LYS 18 2HD LYS 18 3.191 14.280 14.280
133 2HD LYS 18 1HD LYS 18 4.642 13.398 13.398
134 1HE LYS 18 2HE LYS 18 3.951 13.755 13.755
135 2HE LYS 18 1HE LYS 18 3.330 12.384 12.384
136 1HZ LYS 18 2HZ LYS 18 6.233 12.990 12.990
137 2HZ LYS 18 1HZ LYS 18 5.323 11.825 11.825
138 3HZ LYS 18 3HZ LYS 18 5.531 11.664 11.664
139 H ASP 19 H ASP 19 8.316 16.119 16.119
140 HA ASP 19 HA ASP 19 9.568 16.533 16.533
141 1HB ASP 19 2HB ASP 19 9.926 14.660 14.660
142 2HB ASP 19 1HB ASP 19 11.026 15.780 15.780
143 H ALA 20 H ALA 20 9.429 18.264 18.264
144 HA ALA 20 HA ALA 20 11.726 19.930 19.930
145 1HB ALA 20 2HB ALA 20 11.407 18.989 18.989
146 2HB ALA 20 1HB ALA 20 9.886 19.926 19.926
147 3HB ALA 20 3HB ALA 20 11.468 20.779 20.779
148 H GLU 21 H GLU 21 8.093 20.388 20.388
149 HA GLU 21 HA GLU 21 8.545 23.230 23.230
150 1HB GLU 21 2HB GLU 21 5.903 21.666 21.666
151 2HB GLU 21 1HB GLU 21 6.076 23.368 23.368
152 1HG GLU 21 2HG GLU 21 7.314 23.781 23.781
153 2HG GLU 21 1HG GLU 21 6.383 22.332 22.332
154 H ASN 22 H ASN 22 8.340 20.225 20.225
155 HA ASN 22 HA ASN 22 7.339 21.477 21.477
156 1HB ASN 22 2HB ASN 22 8.386 18.712 18.712
157 2HB ASN 22 1HB ASN 22 8.307 19.056 19.056
158 1HD2 ASN 22 2HD2 ASN 22 5.051 17.542 17.542
159 2HD2 ASN 22 1HD2 ASN 22 6.696 17.159 17.159
160 H ALA 23 H ALA 23 10.574 20.916 20.916
161 HA ALA 23 HA ALA 23 11.989 21.113 21.113
162 1HB ALA 23 2HB ALA 23 12.886 20.067 20.067
163 2HB ALA 23 1HB ALA 23 13.017 21.672 21.672
164 3HB ALA 23 3HB ALA 23 14.019 21.282 21.282
165 H SER 24 H SER 24 10.765 23.606 23.606
166 HA SER 24 HA SER 24 12.082 25.739 25.739
167 1HB SER 24 2HB SER 24 11.771 25.597 25.597
168 2HB SER 24 1HB SER 24 10.119 26.213 26.213
169 HG SER 24 HG SER 24 11.190 27.965 27.965
170 H LYS 25 H LYS 25 9.304 23.931 23.931
171 HA LYS 25 HA LYS 25 7.766 25.991 25.991
172 1HB LYS 25 2HB LYS 25 7.301 23.083 23.083
173 2HB LYS 25 1HB LYS 25 6.222 23.856 23.856
174 1HG LYS 25 2HG LYS 25 6.625 24.702 24.702
175 2HG LYS 25 1HG LYS 25 5.240 23.821 23.821
176 1HD LYS 25 2HD LYS 25 5.463 26.162 26.162
177 2HD LYS 25 1HD LYS 25 5.996 26.702 26.702
178 1HE LYS 25 2HE LYS 25 3.610 27.194 27.194
179 2HE LYS 25 1HE LYS 25 3.751 25.785 25.785
180 1HZ LYS 25 2HZ LYS 25 3.231 24.354 24.354
181 2HZ LYS 25 1HZ LYS 25 3.029 25.748 25.748
182 3HZ LYS 25 3HZ LYS 25 1.997 25.468 25.468
183 H GLU 26 H GLU 26 9.871 23.146 23.146
184 HA GLU 26 HA GLU 26 9.593 23.230 23.230
185 1HB GLU 26 2HB GLU 26 11.797 22.077 22.077
186 2HB GLU 26 1HB GLU 26 11.742 21.799 21.799
187 1HG GLU 26 2HG GLU 26 9.642 20.571 20.571
188 2HG GLU 26 1HG GLU 26 9.587 20.799 20.799
189 H ALA 27 H ALA 27 10.865 25.514 25.514
190 HA ALA 27 HA ALA 27 13.257 26.244 26.244
191 1HB ALA 27 3HB ALA 27 13.086 26.552 26.552
192 2HB ALA 27 2HB ALA 27 11.753 27.733 27.733
193 3HB ALA 27 1HB ALA 27 13.414 28.109 28.109
194 H GLU 28 H GLU 28 10.027 26.686 26.686
195 HA GLU 28 HA GLU 28 9.549 29.282 29.282
196 1HB GLU 28 2HB GLU 28 8.434 26.587 26.587
197 2HB GLU 28 1HB GLU 28 7.887 28.059 28.059
198 1HG GLU 28 2HG GLU 28 7.629 28.604 28.604
199 2HG GLU 28 1HG GLU 28 6.908 26.975 26.975
200 H GLU 29 H GLU 29 11.054 26.752 26.752
201 HA GLU 29 HA GLU 29 11.117 28.396 28.396
202 1HB GLU 29 2HB GLU 29 12.095 26.142 26.142
203 2HB GLU 29 1HB GLU 29 10.407 26.225 26.225
204 1HG GLU 29 2HG GLU 29 11.061 25.108 25.108
205 2HG GLU 29 1HG GLU 29 12.711 24.855 24.855
206 H ALA 30 H ALA 30 13.238 27.597 27.597
207 HA ALA 30 HA ALA 30 15.715 28.268 28.268
208 1HB ALA 30 2HB ALA 30 15.134 27.395 27.395
209 2HB ALA 30 1HB ALA 30 16.786 27.709 27.709
210 3HB ALA 30 3HB ALA 30 15.778 26.384 26.384
211 H ALA 31 H ALA 31 13.456 29.541 29.541
212 HA ALA 31 HA ALA 31 14.839 32.105 32.105
213 1HB ALA 31 1HB ALA 31 14.010 31.102 31.102
214 2HB ALA 31 3HB ALA 31 12.338 31.144 31.144
215 3HB ALA 31 2HB ALA 31 13.221 32.681 32.681
216 H LYS 32 H LYS 32 13.856 31.368 31.368
217 HA LYS 32 HA LYS 32 11.813 33.460 33.460
218 1HB LYS 32 2HB LYS 32 11.418 30.853 30.853
219 2HB LYS 32 1HB LYS 32 12.103 31.007 31.007
220 1HG LYS 32 2HG LYS 32 9.678 32.564 32.564
221 2HG LYS 32 1HG LYS 32 9.565 31.035 31.035
222 1HD LYS 32 2HD LYS 32 10.602 33.670 33.670
223 2HD LYS 32 1HD LYS 32 8.961 33.004 33.004
224 1HE LYS 32 2HE LYS 32 9.980 30.940 30.940
225 2HE LYS 32 1HE LYS 32 11.620 31.644 31.644
226 1HZ LYS 32 3HZ LYS 32 10.512 33.667 33.667
227 2HZ LYS 32 2HZ LYS 32 9.592 32.378 32.378
228 3HZ LYS 32 1HZ LYS 32 11.291 32.271 32.271
229 H GLU 33 H GLU 33 13.839 31.569 31.569
230 HA GLU 33 HA GLU 33 14.445 34.009 34.009
231 1HB GLU 33 2HB GLU 33 13.584 31.564 31.564
232 2HB GLU 33 1HB GLU 33 15.298 31.351 31.351
233 1HG GLU 33 2HG GLU 33 15.255 33.290 33.290
234 2HG GLU 33 1HG GLU 33 13.617 33.812 33.812
235 H ALA 34 H ALA 34 16.105 32.186 32.186
236 HA ALA 34 HA ALA 34 18.777 32.964 32.964
237 1HB ALA 34 1HB ALA 34 18.506 30.696 30.696
238 2HB ALA 34 3HB ALA 34 18.063 31.442 31.442
239 3HB ALA 34 2HB ALA 34 19.702 31.718 31.718
240 H VAL 35 H VAL 35 16.262 34.027 34.027
241 HA VAL 35 HA VAL 35 18.231 35.571 35.571
242 HB VAL 35 HB VAL 35 15.424 34.609 34.609
243 1HG1 VAL 35 2HG1 VAL 35 17.655 35.983 35.983
244 2HG1 VAL 35 1HG1 VAL 35 16.162 35.218 35.218
245 3HG1 VAL 35 3HG1 VAL 35 16.036 36.684 36.684
246 1HG2 VAL 35 2HG2 VAL 35 18.251 33.562 33.562
247 2HG2 VAL 35 1HG2 VAL 35 17.041 32.708 32.708
248 3HG2 VAL 35 3HG2 VAL 35 16.701 32.997 32.997
249 H ASN 36 H ASN 36 14.921 35.909 35.909
250 HA ASN 36 HA ASN 36 15.257 38.852 38.852
251 1HB ASN 36 2HB ASN 36 12.757 39.029 39.029
252 2HB ASN 36 1HB ASN 36 13.423 38.228 38.228
253 1HD2 ASN 36 2HD2 ASN 36 11.945 35.049 35.049
254 2HD2 ASN 36 1HD2 ASN 36 12.769 36.043 36.043
255 H LEU 37 H LEU 37 14.926 36.175 36.175
256 HA LEU 37 HA LEU 37 15.698 36.054 36.054
257 1HB LEU 37 2HB LEU 37 15.933 39.104 39.104
258 2HB LEU 37 1HB LEU 37 16.294 37.989 37.989
259 HG LEU 37 HG LEU 37 18.032 36.832 36.832
260 1HD1 LEU 37 2HD1 LEU 37 17.746 39.158 39.158
261 2HD1 LEU 37 1HD1 LEU 37 19.172 38.065 38.065
262 3HD1 LEU 37 3HD1 LEU 37 17.578 37.391 37.391
263 1HD2 LEU 37 1HD2 LEU 37 18.450 38.567 38.567
264 2HD2 LEU 37 3HD2 LEU 37 19.725 38.576 38.576
265 3HD2 LEU 37 2HD2 LEU 37 18.445 39.850 39.850
266 H LYS 38 HN LYS 38 12.667 36.770 36.770
267 HA LYS 38 HA LYS 38 11.696 37.044 37.044
268 1HB LYS 38 2HB LYS 38 11.845 39.235 39.235
269 2HB LYS 38 1HB LYS 38 10.536 38.585 38.585
270 1HG LYS 38 2HG LYS 38 10.318 38.868 38.868
271 2HG LYS 38 1HG LYS 38 10.169 40.273 40.273
272 1HD LYS 38 2HD LYS 38 8.015 39.707 39.707
273 2HD LYS 38 1HD LYS 38 8.247 39.263 39.263
274 1HE LYS 38 2HE LYS 38 8.245 36.857 36.857
275 2HE LYS 38 1HE LYS 38 8.366 37.204 37.204
276 1HZ LYS 38 1HZ LYS 38 6.085 37.867 37.867
277 2HZ LYS 38 3HZ LYS 38 6.199 36.550 36.550
278 3HZ LYS 38 2HZ LYS 38 6.148 38.137 38.137
Start of MODEL 8
1 1H GLU 1 1H GLU 1 -6.991 12.804 12.804
2 2H GLU 1 3H GLU 1 -7.491 11.728 11.728
3 3H GLU 1 2H GLU 1 -8.551 12.130 12.130
4 HA GLU 1 HA GLU 1 -9.247 13.245 13.245
5 1HB GLU 1 2HB GLU 1 -6.854 13.255 13.255
6 2HB GLU 1 1HB GLU 1 -6.618 14.835 14.835
7 1HG GLU 1 2HG GLU 1 -8.702 15.686 15.686
8 2HG GLU 1 1HG GLU 1 -8.958 14.047 14.047
9 H ALA 2 H ALA 2 -6.807 15.204 15.204
10 HA ALA 2 HA ALA 2 -9.026 16.656 16.656
11 1HB ALA 2 3HB ALA 2 -7.326 17.995 17.995
12 2HB ALA 2 2HB ALA 2 -5.995 17.313 17.313
13 3HB ALA 2 1HB ALA 2 -7.267 18.395 18.395
14 H TYR 3 H TYR 3 -7.005 17.436 17.436
15 HA TYR 3 HA TYR 3 -7.006 15.115 15.115
16 1HB TYR 3 2HB TYR 3 -8.052 17.288 17.288
17 2HB TYR 3 1HB TYR 3 -6.513 18.145 18.145
18 HD1 TYR 3 HD2 TYR 3 -7.747 15.074 15.074
19 HD2 TYR 3 HD1 TYR 3 -5.229 18.566 18.566
20 HE1 TYR 3 HE2 TYR 3 -6.987 14.562 14.562
21 HE2 TYR 3 HE1 TYR 3 -4.493 18.080 18.080
22 HH TYR 3 HH TYR 3 -5.623 15.232 15.232
23 H LYS 4 H LYS 4 -4.617 16.167 16.167
24 HA LYS 4 HA LYS 4 -2.461 15.933 15.933
25 1HB LYS 4 2HB LYS 4 -2.373 14.818 14.818
26 2HB LYS 4 1HB LYS 4 -1.010 14.944 14.944
27 1HG LYS 4 2HG LYS 4 -1.465 12.800 12.800
28 2HG LYS 4 1HG LYS 4 -2.468 13.502 13.502
29 1HD LYS 4 2HD LYS 4 -4.473 13.357 13.357
30 2HD LYS 4 1HD LYS 4 -3.387 12.456 12.456
31 1HE LYS 4 2HE LYS 4 -4.415 11.623 11.623
32 2HE LYS 4 1HE LYS 4 -4.745 10.826 10.826
33 1HZ LYS 4 2HZ LYS 4 -2.340 10.322 10.322
34 2HZ LYS 4 1HZ LYS 4 -2.159 10.952 10.952
35 3HZ LYS 4 3HZ LYS 4 -3.135 9.575 9.575
36 H LYS 5 H LYS 5 -3.227 18.316 18.316
37 HA LYS 5 HA LYS 5 -1.124 19.560 19.560
38 1HB LYS 5 2HB LYS 5 -2.413 21.583 21.583
39 2HB LYS 5 1HB LYS 5 -3.143 20.162 20.162
40 1HG LYS 5 2HG LYS 5 -5.024 20.131 20.131
41 2HG LYS 5 1HG LYS 5 -4.199 21.256 21.256
42 1HD LYS 5 2HD LYS 5 -5.913 22.517 22.517
43 2HD LYS 5 1HD LYS 5 -4.264 23.108 23.108
44 1HE LYS 5 2HE LYS 5 -5.523 23.305 23.305
45 2HE LYS 5 1HE LYS 5 -4.333 21.979 21.979
46 1HZ LYS 5 2HZ LYS 5 -7.211 21.661 21.661
47 2HZ LYS 5 1HZ LYS 5 -6.535 21.474 21.474
48 3HZ LYS 5 3HZ LYS 5 -6.119 20.395 20.395
49 H ALA 6 H ALA 6 -2.073 18.721 18.721
50 HA ALA 6 HA ALA 6 -1.629 21.369 21.369
51 1HB ALA 6 3HB ALA 6 -3.554 20.057 20.057
52 2HB ALA 6 2HB ALA 6 -2.473 18.713 18.713
53 3HB ALA 6 1HB ALA 6 -2.365 20.303 20.303
54 H LYS 7 H LYS 7 -0.252 21.202 21.202
55 HA LYS 7 HA LYS 7 2.397 20.209 20.209
56 1HB LYS 7 2HB LYS 7 1.088 21.942 21.942
57 2HB LYS 7 1HB LYS 7 2.741 21.353 21.353
58 1HG LYS 7 2HG LYS 7 2.318 22.664 22.664
59 2HG LYS 7 1HG LYS 7 2.159 23.698 23.698
60 1HD LYS 7 2HD LYS 7 4.442 23.753 23.753
61 2HD LYS 7 1HD LYS 7 4.309 23.159 23.159
62 1HE LYS 7 2HE LYS 7 4.657 20.779 20.779
63 2HE LYS 7 1HE LYS 7 4.799 21.345 21.345
64 1HZ LYS 7 2HZ LYS 7 6.572 22.202 22.202
65 2HZ LYS 7 1HZ LYS 7 6.936 20.964 20.964
66 3HZ LYS 7 3HZ LYS 7 6.764 22.554 22.554
67 H GLN 8 H GLN 8 -0.384 19.164 19.164
68 HA GLN 8 HA GLN 8 0.966 17.017 17.017
69 1HB GLN 8 2HB GLN 8 -1.283 16.930 16.930
70 2HB GLN 8 1HB GLN 8 -0.142 18.226 18.226
71 1HG GLN 8 2HG GLN 8 -1.389 19.982 19.982
72 2HG GLN 8 1HG GLN 8 -2.196 18.987 18.987
73 1HE2 GLN 8 2HE2 GLN 8 -4.598 17.501 17.501
74 2HE2 GLN 8 1HE2 GLN 8 -3.316 16.857 16.857
75 H ALA 9 H ALA 9 0.864 15.239 15.239
76 HA ALA 9 HA ALA 9 -1.543 14.864 14.864
77 1HB ALA 9 2HB ALA 9 0.483 14.844 14.844
78 2HB ALA 9 1HB ALA 9 1.198 13.559 13.559
79 3HB ALA 9 3HB ALA 9 -0.268 13.210 13.210
80 H SER 10 H SER 10 0.127 13.601 13.601
81 HA SER 10 HA SER 10 -2.094 12.266 12.266
82 1HB SER 10 2HB SER 10 0.069 10.439 10.439
83 2HB SER 10 1HB SER 10 -1.056 9.786 9.786
84 HG SER 10 HG SER 10 -2.159 11.166 11.166
85 H GLN 11 H GLN 11 -0.890 10.564 10.564
86 HA GLN 11 HA GLN 11 0.101 12.210 12.210
87 1HB GLN 11 2HB GLN 11 0.523 10.312 10.312
88 2HB GLN 11 1HB GLN 11 -0.973 10.027 10.027
89 1HG GLN 11 2HG GLN 11 0.251 8.472 8.472
90 2HG GLN 11 1HG GLN 11 1.763 8.663 8.663
91 1HE2 GLN 11 2HE2 GLN 11 0.257 7.091 7.091
92 2HE2 GLN 11 1HE2 GLN 11 0.972 8.634 8.634
93 H ASP 12 H ASP 12 1.996 10.279 10.279
94 HA ASP 12 HA ASP 12 4.579 10.689 10.689
95 1HB ASP 12 2HB ASP 12 3.339 10.010 10.010
96 2HB ASP 12 1HB ASP 12 5.121 9.961 9.961
97 H ALA 13 H ALA 13 2.477 12.971 12.971
98 HA ALA 13 HA ALA 13 4.749 14.591 14.591
99 1HB ALA 13 3HB ALA 13 2.846 14.287 14.287
100 2HB ALA 13 2HB ALA 13 1.719 14.990 14.990
101 3HB ALA 13 1HB ALA 13 3.028 16.014 16.014
102 H GLU 14 H GLU 14 2.330 14.217 14.217
103 HA GLU 14 HA GLU 14 2.447 16.957 16.957
104 1HB GLU 14 2HB GLU 14 0.366 15.321 15.321
105 2HB GLU 14 1HB GLU 14 0.962 14.650 14.650
106 1HG GLU 14 2HG GLU 14 0.976 17.344 17.344
107 2HG GLU 14 1HG GLU 14 -0.160 17.432 17.432
108 H GLN 15 H GLN 15 3.635 13.766 13.766
109 HA GLN 15 HA GLN 15 4.858 14.331 14.331
110 1HB GLN 15 2HB GLN 15 3.893 12.078 12.078
111 2HB GLN 15 1HB GLN 15 5.209 11.896 11.896
112 1HG GLN 15 2HG GLN 15 5.714 10.572 10.572
113 2HG GLN 15 1HG GLN 15 6.890 11.939 11.939
114 1HE2 GLN 15 2HE2 GLN 15 5.898 12.472 12.472
115 2HE2 GLN 15 1HE2 GLN 15 7.193 12.312 12.312
116 H ALA 16 H ALA 16 5.827 14.364 14.364
117 HA ALA 16 HA ALA 16 8.667 14.748 14.748
118 1HB ALA 16 3HB ALA 16 8.012 13.253 13.253
119 2HB ALA 16 2HB ALA 16 7.166 14.612 14.612
120 3HB ALA 16 1HB ALA 16 8.953 14.663 14.663
121 H ALA 17 H ALA 17 5.912 16.743 16.743
122 HA ALA 17 HA ALA 17 7.422 19.178 19.178
123 1HB ALA 17 2HB ALA 17 5.015 19.031 19.031
124 2HB ALA 17 1HB ALA 17 4.510 18.779 18.779
125 3HB ALA 17 3HB ALA 17 5.264 20.346 20.346
126 H LYS 18 H LYS 18 6.739 17.027 17.027
127 HA LYS 18 HA LYS 18 6.118 19.011 19.011
128 1HB LYS 18 2HB LYS 18 5.628 16.230 16.230
129 2HB LYS 18 1HB LYS 18 6.185 16.308 16.308
130 1HG LYS 18 2HG LYS 18 4.381 17.952 17.952
131 2HG LYS 18 1HG LYS 18 3.966 18.025 18.025
132 1HD LYS 18 2HD LYS 18 3.256 15.604 15.604
133 2HD LYS 18 1HD LYS 18 3.775 15.481 15.481
134 1HE LYS 18 2HE LYS 18 1.394 15.627 15.627
135 2HE LYS 18 1HE LYS 18 2.017 17.250 17.250
136 1HZ LYS 18 2HZ LYS 18 1.648 17.793 17.793
137 2HZ LYS 18 1HZ LYS 18 0.550 16.445 16.445
138 3HZ LYS 18 3HZ LYS 18 0.311 17.733 17.733
139 H ASP 19 H ASP 19 8.842 17.209 17.209
140 HA ASP 19 HA ASP 19 10.460 17.997 17.997
141 1HB ASP 19 2HB ASP 19 10.681 15.914 15.914
142 2HB ASP 19 1HB ASP 19 12.239 16.563 16.563
143 H ALA 20 H ALA 20 9.552 19.469 19.469
144 HA ALA 20 HA ALA 20 12.057 20.952 20.952
145 1HB ALA 20 3HB ALA 20 10.916 20.244 20.244
146 2HB ALA 20 2HB ALA 20 9.424 21.137 21.137
147 3HB ALA 20 1HB ALA 20 10.953 22.036 22.036
148 H GLU 21 H GLU 21 8.802 21.271 21.271
149 HA GLU 21 HA GLU 21 9.115 24.086 24.086
150 1HB GLU 21 2HB GLU 21 6.979 23.749 23.749
151 2HB GLU 21 1HB GLU 21 6.838 23.451 23.451
152 1HG GLU 21 2HG GLU 21 6.300 21.248 21.248
153 2HG GLU 21 1HG GLU 21 7.527 20.940 20.940
154 H ASN 22 H ASN 22 9.474 20.865 20.865
155 HA ASN 22 HA ASN 22 10.009 21.974 21.974
156 1HB ASN 22 2HB ASN 22 10.075 19.124 19.124
157 2HB ASN 22 1HB ASN 22 10.710 19.485 19.485
158 1HD2 ASN 22 2HD2 ASN 22 6.853 18.852 18.852
159 2HD2 ASN 22 1HD2 ASN 22 7.813 18.668 18.668
160 H ALA 23 H ALA 23 11.933 22.452 22.452
161 HA ALA 23 HA ALA 23 14.481 22.045 22.045
162 1HB ALA 23 1HB ALA 23 13.893 23.460 23.460
163 2HB ALA 23 3HB ALA 23 15.542 23.167 23.167
164 3HB ALA 23 2HB ALA 23 14.498 21.789 21.789
165 H SER 24 H SER 24 12.048 24.652 24.652
166 HA SER 24 HA SER 24 13.827 26.635 26.635
167 1HB SER 24 2HB SER 24 12.204 28.343 28.343
168 2HB SER 24 1HB SER 24 12.410 27.233 27.233
169 HG SER 24 HG SER 24 10.291 27.620 27.620
170 H LYS 25 H LYS 25 11.119 24.707 24.707
171 HA LYS 25 HA LYS 25 10.612 25.628 25.628
172 1HB LYS 25 2HB LYS 25 9.817 23.128 23.128
173 2HB LYS 25 1HB LYS 25 9.048 23.719 23.719
174 1HG LYS 25 2HG LYS 25 8.158 25.693 25.693
175 2HG LYS 25 1HG LYS 25 9.061 25.151 25.151
176 1HD LYS 25 2HD LYS 25 6.864 24.576 24.576
177 2HD LYS 25 1HD LYS 25 7.792 23.076 23.076
178 1HE LYS 25 2HE LYS 25 5.894 24.302 24.302
179 2HE LYS 25 1HE LYS 25 5.422 23.091 23.091
180 1HZ LYS 25 3HZ LYS 25 7.375 21.714 21.714
181 2HZ LYS 25 2HZ LYS 25 7.180 22.720 22.720
182 3HZ LYS 25 1HZ LYS 25 5.882 21.789 21.789
183 H GLU 26 H GLU 26 13.346 24.501 24.501
184 HA GLU 26 HA GLU 26 13.926 22.601 22.601
185 1HB GLU 26 2HB GLU 26 15.134 22.556 22.556
186 2HB GLU 26 1HB GLU 26 15.762 24.181 24.181
187 1HG GLU 26 2HG GLU 26 17.609 22.885 22.885
188 2HG GLU 26 1HG GLU 26 16.866 22.997 22.997
189 H ALA 27 H ALA 27 14.191 26.007 26.007
190 HA ALA 27 HA ALA 27 15.189 26.919 26.919
191 1HB ALA 27 3HB ALA 27 16.282 27.823 27.823
192 2HB ALA 27 2HB ALA 27 14.727 28.497 28.497
193 3HB ALA 27 1HB ALA 27 15.470 29.129 29.129
194 H GLU 28 H GLU 28 12.398 27.492 27.492
195 HA GLU 28 HA GLU 28 10.933 29.107 29.107
196 1HB GLU 28 2HB GLU 28 9.920 27.599 27.599
197 2HB GLU 28 1HB GLU 28 9.055 28.940 28.940
198 1HG GLU 28 2HG GLU 28 10.715 30.568 30.568
199 2HG GLU 28 1HG GLU 28 11.849 29.292 29.292
200 H GLU 29 H GLU 29 11.478 26.021 26.021
201 HA GLU 29 HA GLU 29 8.786 25.112 25.112
202 1HB GLU 29 2HB GLU 29 10.899 23.684 23.684
203 2HB GLU 29 1HB GLU 29 11.315 23.720 23.720
204 1HG GLU 29 2HG GLU 29 8.524 22.842 22.842
205 2HG GLU 29 1HG GLU 29 9.959 21.733 21.733
206 H ALA 30 H ALA 30 11.265 27.033 27.033
207 HA ALA 30 HA ALA 30 10.189 26.721 26.721
208 1HB ALA 30 3HB ALA 30 12.570 27.200 27.200
209 2HB ALA 30 2HB ALA 30 12.206 28.775 28.775
210 3HB ALA 30 1HB ALA 30 11.812 28.509 28.509
211 H ALA 31 H ALA 31 9.313 28.555 28.555
212 HA ALA 31 HA ALA 31 7.580 30.430 30.430
213 1HB ALA 31 1HB ALA 31 8.850 31.415 31.415
214 2HB ALA 31 3HB ALA 31 8.083 30.256 30.256
215 3HB ALA 31 2HB ALA 31 7.086 31.475 31.475
216 H LYS 32 H LYS 32 7.170 28.267 28.267
217 HA LYS 32 HA LYS 32 5.924 26.647 26.647
218 1HB LYS 32 2HB LYS 32 6.519 26.106 26.106
219 2HB LYS 32 1HB LYS 32 4.767 26.237 26.237
220 1HG LYS 32 2HG LYS 32 4.516 24.421 24.421
221 2HG LYS 32 1HG LYS 32 6.319 24.406 24.406
222 1HD LYS 32 2HD LYS 32 6.641 23.784 23.784
223 2HD LYS 32 1HD LYS 32 4.878 23.879 23.879
224 1HE LYS 32 2HE LYS 32 4.283 21.889 21.889
225 2HE LYS 32 1HE LYS 32 5.845 21.848 21.848
226 1HZ LYS 32 1HZ LYS 32 5.987 21.613 21.613
227 2HZ LYS 32 3HZ LYS 32 5.596 20.260 20.260
228 3HZ LYS 32 2HZ LYS 32 7.022 21.166 21.166
229 H GLU 33 H GLU 33 4.821 28.680 28.680
230 HA GLU 33 HA GLU 33 2.291 29.498 29.498
231 1HB GLU 33 2HB GLU 33 2.461 31.381 31.381
232 2HB GLU 33 1HB GLU 33 3.837 31.211 31.211
233 1HG GLU 33 2HG GLU 33 3.978 30.272 30.272
234 2HG GLU 33 1HG GLU 33 4.441 31.908 31.908
235 H ALA 34 H ALA 34 2.733 27.077 27.077
236 HA ALA 34 HA ALA 34 0.464 26.914 26.914
237 1HB ALA 34 2HB ALA 34 2.507 25.589 25.589
238 2HB ALA 34 1HB ALA 34 2.440 24.709 24.709
239 3HB ALA 34 3HB ALA 34 1.123 24.485 24.485
240 H VAL 35 H VAL 35 1.619 25.676 25.676
241 HA VAL 35 HA VAL 35 -1.091 24.559 24.559
242 HB VAL 35 HB VAL 35 -0.190 22.586 22.586
243 1HG1 VAL 35 1HG1 VAL 35 -0.718 22.817 22.817
244 2HG1 VAL 35 3HG1 VAL 35 1.049 22.980 22.980
245 3HG1 VAL 35 2HG1 VAL 35 0.398 21.464 21.464
246 1HG2 VAL 35 2HG2 VAL 35 2.588 23.728 23.728
247 2HG2 VAL 35 1HG2 VAL 35 2.002 23.293 23.293
248 3HG2 VAL 35 3HG2 VAL 35 2.276 21.998 21.998
249 H ASN 36 H ASN 36 0.100 27.136 27.136
250 HA ASN 36 HA ASN 36 -0.835 27.309 27.309
251 1HB ASN 36 2HB ASN 36 1.620 26.966 26.966
252 2HB ASN 36 1HB ASN 36 2.104 28.109 28.109
253 1HD2 ASN 36 2HD2 ASN 36 2.129 30.608 30.608
254 2HD2 ASN 36 1HD2 ASN 36 3.108 29.635 29.635
255 H LEU 37 H LEU 37 -1.371 29.601 29.601
256 HA LEU 37 HA LEU 37 -1.101 31.523 31.523
257 1HB LEU 37 2HB LEU 37 -3.359 31.473 31.473
258 2HB LEU 37 1HB LEU 37 -1.952 30.578 30.578
259 HG LEU 37 HG LEU 37 -2.914 28.412 28.412
260 1HD1 LEU 37 2HD1 LEU 37 -5.459 30.059 30.059
261 2HD1 LEU 37 1HD1 LEU 37 -5.401 28.260 28.260
262 3HD1 LEU 37 3HD1 LEU 37 -4.543 29.083 29.083
263 1HD2 LEU 37 1HD2 LEU 37 -3.005 29.110 29.110
264 2HD2 LEU 37 3HD2 LEU 37 -4.448 28.156 28.156
265 3HD2 LEU 37 2HD2 LEU 37 -4.581 29.945 29.945
266 H LYS 38 HN LYS 38 -1.065 31.386 31.386
267 HA LYS 38 HA LYS 38 -3.184 33.114 33.114
268 1HB LYS 38 2HB LYS 38 -4.009 32.077 32.077
269 2HB LYS 38 1HB LYS 38 -4.241 30.897 30.897
270 1HG LYS 38 2HG LYS 38 -3.196 29.328 29.328
271 2HG LYS 38 1HG LYS 38 -1.662 30.241 30.241
272 1HD LYS 38 2HD LYS 38 -3.787 30.414 30.414
273 2HD LYS 38 1HD LYS 38 -2.157 29.663 29.663
274 1HE LYS 38 2HE LYS 38 -1.107 31.975 31.975
275 2HE LYS 38 1HE LYS 38 -2.768 32.690 32.690
276 1HZ LYS 38 3HZ LYS 38 -3.053 31.782 31.782
277 2HZ LYS 38 2HZ LYS 38 -1.417 31.302 31.302
278 3HZ LYS 38 1HZ LYS 38 -1.822 32.939 32.939
Start of MODEL 9
1 1H GLU 1 2H GLU 1 -5.613 5.891 5.891
2 2H GLU 1 1H GLU 1 -6.690 5.709 5.709
3 3H GLU 1 3H GLU 1 -6.006 7.232 7.232
4 HA GLU 1 HA GLU 1 -3.870 6.517 6.517
5 1HB GLU 1 2HB GLU 1 -5.431 7.195 7.195
6 2HB GLU 1 1HB GLU 1 -5.711 5.485 5.485
7 1HG GLU 1 2HG GLU 1 -3.340 5.252 5.252
8 2HG GLU 1 1HG GLU 1 -2.880 6.760 6.760
9 H ALA 2 H ALA 2 -5.288 3.543 3.543
10 HA ALA 2 HA ALA 2 -3.686 1.940 1.940
11 1HB ALA 2 1HB ALA 2 -3.723 1.324 1.324
12 2HB ALA 2 3HB ALA 2 -5.502 1.082 1.082
13 3HB ALA 2 2HB ALA 2 -4.399 0.001 0.001
14 H TYR 3 H TYR 3 -5.048 2.702 2.702
15 HA TYR 3 HA TYR 3 -6.540 0.531 0.531
16 1HB TYR 3 2HB TYR 3 -8.425 2.000 2.000
17 2HB TYR 3 1HB TYR 3 -8.327 3.109 3.109
18 HD1 TYR 3 HD2 TYR 3 -8.829 -0.467 -0.467
19 HD2 TYR 3 HD1 TYR 3 -9.558 2.472 2.472
20 HE1 TYR 3 HE2 TYR 3 -10.371 -2.024 -2.024
21 HE2 TYR 3 HE1 TYR 3 -11.098 0.904 0.904
22 HH TYR 3 HH TYR 3 -11.870 -2.310 -2.310
23 H LYS 4 H LYS 4 -7.111 1.259 1.259
24 HA LYS 4 HA LYS 4 -4.606 2.499 2.499
25 1HB LYS 4 2HB LYS 4 -5.570 0.008 0.008
26 2HB LYS 4 1HB LYS 4 -6.316 0.778 0.778
27 1HG LYS 4 2HG LYS 4 -3.564 1.707 1.707
28 2HG LYS 4 1HG LYS 4 -3.508 0.014 0.014
29 1HD LYS 4 2HD LYS 4 -3.109 0.006 0.006
30 2HD LYS 4 1HD LYS 4 -4.744 -0.709 -0.709
31 1HE LYS 4 2HE LYS 4 -5.818 1.482 1.482
32 2HE LYS 4 1HE LYS 4 -4.181 2.250 2.250
33 1HZ LYS 4 1HZ LYS 4 -3.623 0.541 0.541
34 2HZ LYS 4 3HZ LYS 4 -5.253 0.064 0.064
35 3HZ LYS 4 2HZ LYS 4 -4.819 1.635 1.635
36 H LYS 5 H LYS 5 -6.617 4.149 4.149
37 HA LYS 5 HA LYS 5 -7.833 5.426 5.426
38 1HB LYS 5 2HB LYS 5 -9.001 4.647 4.647
39 2HB LYS 5 1HB LYS 5 -8.382 6.133 6.133
40 1HG LYS 5 2HG LYS 5 -10.099 6.018 6.018
41 2HG LYS 5 1HG LYS 5 -10.805 5.848 5.848
42 1HD LYS 5 2HD LYS 5 -9.922 8.081 8.081
43 2HD LYS 5 1HD LYS 5 -9.337 8.332 8.332
44 1HE LYS 5 2HE LYS 5 -11.704 8.129 8.129
45 2HE LYS 5 1HE LYS 5 -12.299 7.775 7.775
46 1HZ LYS 5 2HZ LYS 5 -11.582 9.979 9.979
47 2HZ LYS 5 1HZ LYS 5 -11.028 10.315 10.315
48 3HZ LYS 5 3HZ LYS 5 -12.676 10.052 10.052
49 H ALA 6 H ALA 6 -5.332 5.509 5.509
50 HA ALA 6 HA ALA 6 -4.201 8.055 8.055
51 1HB ALA 6 1HB ALA 6 -3.446 6.077 6.077
52 2HB ALA 6 3HB ALA 6 -2.466 7.521 7.521
53 3HB ALA 6 2HB ALA 6 -4.117 7.733 7.733
54 H LYS 7 H LYS 7 -2.837 7.888 7.888
55 HA LYS 7 HA LYS 7 -1.531 5.356 5.356
56 1HB LYS 7 2HB LYS 7 -1.293 6.382 6.382
57 2HB LYS 7 1HB LYS 7 -2.974 6.111 6.111
58 1HG LYS 7 2HG LYS 7 -3.294 8.498 8.498
59 2HG LYS 7 1HG LYS 7 -1.663 8.889 8.889
60 1HD LYS 7 2HD LYS 7 -4.071 7.742 7.742
61 2HD LYS 7 1HD LYS 7 -3.504 9.434 9.434
62 1HE LYS 7 2HE LYS 7 -1.934 6.964 6.964
63 2HE LYS 7 1HE LYS 7 -2.864 8.126 8.126
64 1HZ LYS 7 1HZ LYS 7 -0.680 9.008 9.008
65 2HZ LYS 7 3HZ LYS 7 -0.392 8.475 8.475
66 3HZ LYS 7 2HZ LYS 7 -1.380 9.824 9.824
67 H GLN 8 H GLN 8 0.574 6.886 6.886
68 HA GLN 8 HA GLN 8 2.280 7.576 7.576
69 1HB GLN 8 2HB GLN 8 2.859 7.960 7.960
70 2HB GLN 8 1HB GLN 8 4.018 8.041 8.041
71 1HG GLN 8 2HG GLN 8 3.622 5.635 5.635
72 2HG GLN 8 1HG GLN 8 2.588 5.488 5.488
73 1HE2 GLN 8 2HE2 GLN 8 5.497 5.756 5.756
74 2HE2 GLN 8 1HE2 GLN 8 3.759 5.771 5.771
75 H ALA 9 H ALA 9 0.147 9.349 9.349
76 HA ALA 9 HA ALA 9 1.342 11.973 11.973
77 1HB ALA 9 3HB ALA 9 1.022 11.663 11.663
78 2HB ALA 9 2HB ALA 9 -0.736 11.354 11.354
79 3HB ALA 9 1HB ALA 9 -0.033 12.949 12.949
80 H SER 10 H SER 10 0.441 12.387 12.387
81 HA SER 10 HA SER 10 -2.166 12.484 12.484
82 1HB SER 10 2HB SER 10 -0.904 9.637 9.637
83 2HB SER 10 1HB SER 10 -2.342 10.225 10.225
84 HG SER 10 HG SER 10 -2.443 10.387 10.387
85 H GLN 11 H GLN 11 -1.291 11.150 11.150
86 HA GLN 11 HA GLN 11 0.141 13.304 13.304
87 1HB GLN 11 2HB GLN 11 -0.181 12.292 12.292
88 2HB GLN 11 1HB GLN 11 -1.659 12.199 12.199
89 1HG GLN 11 2HG GLN 11 -1.889 10.058 10.058
90 2HG GLN 11 1HG GLN 11 -0.545 9.649 9.649
91 1HE2 GLN 11 2HE2 GLN 11 0.237 8.215 8.215
92 2HE2 GLN 11 1HE2 GLN 11 -0.785 7.880 7.880
93 H ASP 12 H ASP 12 1.113 10.023 10.023
94 HA ASP 12 HA ASP 12 3.776 10.204 10.204
95 1HB ASP 12 2HB ASP 12 2.551 8.275 8.275
96 2HB ASP 12 1HB ASP 12 4.141 8.084 8.084
97 H ALA 13 H ALA 13 2.381 11.961 11.961
98 HA ALA 13 HA ALA 13 5.080 12.282 12.282
99 1HB ALA 13 1HB ALA 13 2.410 13.585 13.585
100 2HB ALA 13 3HB ALA 13 4.034 13.900 13.900
101 3HB ALA 13 2HB ALA 13 3.323 12.291 12.291
102 H GLU 14 H GLU 14 2.742 13.503 13.503
103 HA GLU 14 HA GLU 14 3.400 16.279 16.279
104 1HB GLU 14 2HB GLU 14 1.019 15.266 15.266
105 2HB GLU 14 1HB GLU 14 1.499 15.076 15.076
106 1HG GLU 14 2HG GLU 14 2.080 17.632 17.632
107 2HG GLU 14 1HG GLU 14 1.289 17.659 17.659
108 H GLN 15 H GLN 15 3.630 13.755 13.755
109 HA GLN 15 HA GLN 15 4.696 15.163 15.163
110 1HB GLN 15 2HB GLN 15 3.523 12.887 12.887
111 2HB GLN 15 1HB GLN 15 5.020 12.142 12.142
112 1HG GLN 15 2HG GLN 15 4.966 11.777 11.777
113 2HG GLN 15 1HG GLN 15 6.205 13.061 13.061
114 1HE2 GLN 15 2HE2 GLN 15 4.298 15.401 15.401
115 2HE2 GLN 15 1HE2 GLN 15 5.705 15.161 15.161
116 H ALA 16 H ALA 16 6.195 13.801 13.801
117 HA ALA 16 HA ALA 16 8.942 13.979 13.979
118 1HB ALA 16 3HB ALA 16 8.248 12.181 12.181
119 2HB ALA 16 2HB ALA 16 7.771 13.420 13.420
120 3HB ALA 16 1HB ALA 16 9.499 13.236 13.236
121 H ALA 17 H ALA 17 6.563 16.169 16.169
122 HA ALA 17 HA ALA 17 8.696 18.064 18.064
123 1HB ALA 17 2HB ALA 17 6.795 17.893 17.893
124 2HB ALA 17 1HB ALA 17 5.649 18.384 18.384
125 3HB ALA 17 3HB ALA 17 6.912 19.535 19.535
126 H LYS 18 H LYS 18 6.496 17.241 17.241
127 HA LYS 18 HA LYS 18 6.262 19.767 19.767
128 1HB LYS 18 2HB LYS 18 5.527 16.949 16.949
129 2HB LYS 18 1HB LYS 18 5.295 18.385 18.385
130 1HG LYS 18 2HG LYS 18 3.895 19.508 19.508
131 2HG LYS 18 1HG LYS 18 3.886 18.188 18.188
132 1HD LYS 18 2HD LYS 18 2.634 16.705 16.705
133 2HD LYS 18 1HD LYS 18 3.256 17.508 17.508
134 1HE LYS 18 2HE LYS 18 0.902 17.997 17.997
135 2HE LYS 18 1HE LYS 18 1.850 19.510 19.510
136 1HZ LYS 18 3HZ LYS 18 1.509 19.073 19.073
137 2HZ LYS 18 2HZ LYS 18 0.390 17.828 17.828
138 3HZ LYS 18 1HZ LYS 18 0.079 19.444 19.444
139 H ASP 19 H ASP 19 8.642 17.272 17.272
140 HA ASP 19 HA ASP 19 9.727 17.947 17.947
141 1HB ASP 19 2HB ASP 19 9.833 15.591 15.591
142 2HB ASP 19 1HB ASP 19 11.278 16.203 16.203
143 H ALA 20 H ALA 20 10.227 19.008 19.008
144 HA ALA 20 HA ALA 20 12.827 20.227 20.227
145 1HB ALA 20 3HB ALA 20 12.284 19.209 19.209
146 2HB ALA 20 2HB ALA 20 10.962 20.386 20.386
147 3HB ALA 20 1HB ALA 20 12.687 20.944 20.944
148 H GLU 21 H GLU 21 9.429 21.262 21.262
149 HA GLU 21 HA GLU 21 10.106 24.062 24.062
150 1HB GLU 21 2HB GLU 21 7.726 24.494 24.494
151 2HB GLU 21 1HB GLU 21 8.297 23.546 23.546
152 1HG GLU 21 2HG GLU 21 6.877 21.820 21.820
153 2HG GLU 21 1HG GLU 21 7.412 21.632 21.632
154 H ASN 22 H ASN 22 9.797 21.254 21.254
155 HA ASN 22 HA ASN 22 8.846 22.578 22.578
156 1HB ASN 22 2HB ASN 22 9.316 19.744 19.744
157 2HB ASN 22 1HB ASN 22 9.952 20.039 20.039
158 1HD2 ASN 22 2HD2 ASN 22 5.920 19.881 19.881
159 2HD2 ASN 22 1HD2 ASN 22 6.962 19.588 19.588
160 H ALA 23 H ALA 23 11.900 22.169 22.169
161 HA ALA 23 HA ALA 23 13.623 22.322 22.322
162 1HB ALA 23 1HB ALA 23 14.417 21.696 21.696
163 2HB ALA 23 3HB ALA 23 14.107 23.342 23.342
164 3HB ALA 23 2HB ALA 23 15.401 23.068 23.068
165 H SER 24 H SER 24 11.781 24.996 24.996
166 HA SER 24 HA SER 24 13.233 27.004 27.004
167 1HB SER 24 2HB SER 24 10.707 27.450 27.450
168 2HB SER 24 1HB SER 24 11.936 28.666 28.666
169 HG SER 24 HG SER 24 13.432 27.407 27.407
170 H LYS 25 H LYS 25 10.635 24.890 24.890
171 HA LYS 25 HA LYS 25 9.003 26.556 26.556
172 1HB LYS 25 2HB LYS 25 8.872 23.710 23.710
173 2HB LYS 25 1HB LYS 25 7.581 24.411 24.411
174 1HG LYS 25 2HG LYS 25 7.371 26.292 26.292
175 2HG LYS 25 1HG LYS 25 8.513 25.444 25.444
176 1HD LYS 25 2HD LYS 25 6.942 23.474 23.474
177 2HD LYS 25 1HD LYS 25 5.892 24.289 24.289
178 1HE LYS 25 2HE LYS 25 4.860 24.535 24.535
179 2HE LYS 25 1HE LYS 25 5.393 26.149 26.149
180 1HZ LYS 25 2HZ LYS 25 7.508 25.027 25.027
181 2HZ LYS 25 1HZ LYS 25 6.046 24.792 24.792
182 3HZ LYS 25 3HZ LYS 25 6.473 26.361 26.361
183 H GLU 26 H GLU 26 11.470 24.052 24.052
184 HA GLU 26 HA GLU 26 11.069 23.428 23.428
185 1HB GLU 26 2HB GLU 26 13.242 22.170 22.170
186 2HB GLU 26 1HB GLU 26 12.048 21.740 21.740
187 1HG GLU 26 2HG GLU 26 13.214 23.071 23.071
188 2HG GLU 26 1HG GLU 26 14.399 23.670 23.670
189 H ALA 27 H ALA 27 11.587 26.313 26.313
190 HA ALA 27 HA ALA 27 13.781 27.160 27.160
191 1HB ALA 27 1HB ALA 27 13.585 28.256 28.256
192 2HB ALA 27 3HB ALA 27 11.906 28.800 28.800
193 3HB ALA 27 2HB ALA 27 13.299 29.465 29.465
194 H GLU 28 H GLU 28 10.215 26.888 26.888
195 HA GLU 28 HA GLU 28 9.771 28.847 28.847
196 1HB GLU 28 2HB GLU 28 7.922 26.823 26.823
197 2HB GLU 28 1HB GLU 28 7.361 27.900 27.900
198 1HG GLU 28 2HG GLU 28 7.956 29.918 29.918
199 2HG GLU 28 1HG GLU 28 8.384 28.873 28.873
200 H GLU 29 H GLU 29 11.249 26.032 26.032
201 HA GLU 29 HA GLU 29 9.928 24.930 24.930
202 1HB GLU 29 2HB GLU 29 11.892 23.327 23.327
203 2HB GLU 29 1HB GLU 29 10.960 23.380 23.380
204 1HG GLU 29 2HG GLU 29 12.969 23.295 23.295
205 2HG GLU 29 1HG GLU 29 12.942 25.072 25.072
206 H ALA 30 H ALA 30 12.512 27.164 27.164
207 HA ALA 30 HA ALA 30 13.686 27.295 27.295
208 1HB ALA 30 1HB ALA 30 14.936 27.739 27.739
209 2HB ALA 30 3HB ALA 30 13.927 29.186 29.186
210 3HB ALA 30 2HB ALA 30 15.049 29.159 29.159
211 H ALA 31 H ALA 31 10.957 28.799 28.799
212 HA ALA 31 HA ALA 31 10.708 30.959 30.959
213 1HB ALA 31 3HB ALA 31 10.103 31.477 31.477
214 2HB ALA 31 2HB ALA 31 8.841 30.204 30.204
215 3HB ALA 31 1HB ALA 31 8.711 31.665 31.665
216 H LYS 32 H LYS 32 10.218 27.605 27.605
217 HA LYS 32 HA LYS 32 7.810 27.828 27.828
218 1HB LYS 32 2HB LYS 32 7.395 27.033 27.033
219 2HB LYS 32 1HB LYS 32 8.323 25.567 25.567
220 1HG LYS 32 2HG LYS 32 6.609 25.107 25.107
221 2HG LYS 32 1HG LYS 32 5.748 26.572 26.572
222 1HD LYS 32 2HD LYS 32 5.648 25.305 25.305
223 2HD LYS 32 1HD LYS 32 6.369 23.926 23.926
224 1HE LYS 32 2HE LYS 32 3.950 23.517 23.517
225 2HE LYS 32 1HE LYS 32 4.399 23.994 23.994
226 1HZ LYS 32 1HZ LYS 32 3.947 26.359 26.359
227 2HZ LYS 32 3HZ LYS 32 2.820 25.380 25.380
228 3HZ LYS 32 2HZ LYS 32 2.785 25.492 25.492
229 H GLU 33 H GLU 33 10.282 25.311 25.311
230 HA GLU 33 HA GLU 33 9.847 24.204 24.204
231 1HB GLU 33 2HB GLU 33 10.419 22.967 22.967
232 2HB GLU 33 1HB GLU 33 10.702 22.031 22.031
233 1HG GLU 33 2HG GLU 33 8.469 22.004 22.004
234 2HG GLU 33 1HG GLU 33 8.029 23.472 23.472
235 H ALA 34 H ALA 34 11.942 26.186 26.186
236 HA ALA 34 HA ALA 34 13.918 25.517 25.517
237 1HB ALA 34 2HB ALA 34 14.989 26.141 26.141
238 2HB ALA 34 1HB ALA 34 14.166 27.730 27.730
239 3HB ALA 34 3HB ALA 34 15.388 27.325 27.325
240 H VAL 35 H VAL 35 12.210 28.532 28.532
241 HA VAL 35 HA VAL 35 12.996 29.608 29.608
242 HB VAL 35 HB VAL 35 12.595 31.767 31.767
243 1HG1 VAL 35 3HG1 VAL 35 14.664 30.478 30.478
244 2HG1 VAL 35 2HG1 VAL 35 13.855 29.927 29.927
245 3HG1 VAL 35 1HG1 VAL 35 14.158 31.672 31.672
246 1HG2 VAL 35 2HG2 VAL 35 11.311 30.369 30.369
247 2HG2 VAL 35 1HG2 VAL 35 10.433 31.434 31.434
248 3HG2 VAL 35 3HG2 VAL 35 11.726 32.114 32.114
249 H ASN 36 H ASN 36 10.188 28.023 28.023
250 HA ASN 36 HA ASN 36 8.427 29.998 29.998
251 1HB ASN 36 2HB ASN 36 8.425 29.482 29.482
252 2HB ASN 36 1HB ASN 36 7.467 28.031 28.031
253 1HD2 ASN 36 2HD2 ASN 36 5.325 30.966 30.966
254 2HD2 ASN 36 1HD2 ASN 36 6.890 30.611 30.611
255 H LEU 37 H LEU 37 7.911 26.619 26.619
256 HA LEU 37 HA LEU 37 7.199 24.843 24.843
257 1HB LEU 37 2HB LEU 37 8.867 25.784 25.784
258 2HB LEU 37 1HB LEU 37 8.042 24.193 24.193
259 HG LEU 37 HG LEU 37 10.253 23.823 23.823
260 1HD1 LEU 37 1HD1 LEU 37 8.538 22.426 22.426
261 2HD1 LEU 37 3HD1 LEU 37 8.721 23.488 23.488
262 3HD1 LEU 37 2HD1 LEU 37 10.118 22.507 22.507
263 1HD2 LEU 37 3HD2 LEU 37 10.944 26.055 26.055
264 2HD2 LEU 37 2HD2 LEU 37 11.547 24.672 24.672
265 3HD2 LEU 37 1HD2 LEU 37 10.157 25.654 25.654
266 H LYS 38 HN LYS 38 5.373 27.331 27.331
267 HA LYS 38 HA LYS 38 3.570 26.121 26.121
268 1HB LYS 38 2HB LYS 38 3.667 28.891 28.891
269 2HB LYS 38 1HB LYS 38 2.453 28.347 28.347
270 1HG LYS 38 2HG LYS 38 3.788 28.666 28.666
271 2HG LYS 38 1HG LYS 38 5.274 28.063 28.063
272 1HD LYS 38 2HD LYS 38 5.149 30.499 30.499
273 2HD LYS 38 1HD LYS 38 5.983 30.146 30.146
274 1HE LYS 38 2HE LYS 38 3.013 31.034 31.034
275 2HE LYS 38 1HE LYS 38 4.319 32.248 32.248
276 1HZ LYS 38 3HZ LYS 38 4.598 30.397 30.397
277 2HZ LYS 38 2HZ LYS 38 3.563 31.744 31.744
278 3HZ LYS 38 1HZ LYS 38 5.217 31.916 31.916
Start of MODEL 10
1 1H GLU 1 1H GLU 1 -7.741 0.486 0.486
2 2H GLU 1 3H GLU 1 -9.358 0.668 0.668
3 3H GLU 1 2H GLU 1 -8.935 0.866 0.866
4 HA GLU 1 HA GLU 1 -9.922 -1.239 -1.239
5 1HB GLU 1 2HB GLU 1 -7.894 -1.710 -1.710
6 2HB GLU 1 1HB GLU 1 -9.001 -2.935 -2.935
7 1HG GLU 1 2HG GLU 1 -9.947 -2.172 -2.172
8 2HG GLU 1 1HG GLU 1 -10.986 -1.511 -1.511
9 H ALA 2 H ALA 2 -8.922 -0.901 -0.901
10 HA ALA 2 HA ALA 2 -6.872 -2.426 -2.426
11 1HB ALA 2 2HB ALA 2 -6.015 0.525 0.525
12 2HB ALA 2 1HB ALA 2 -5.115 -0.612 -0.612
13 3HB ALA 2 3HB ALA 2 -5.224 -0.940 -0.940
14 H TYR 3 H TYR 3 -6.390 -1.181 -1.181
15 HA TYR 3 HA TYR 3 -8.934 -0.020 -0.020
16 1HB TYR 3 2HB TYR 3 -8.510 -1.527 -1.527
17 2HB TYR 3 1HB TYR 3 -9.066 -2.367 -2.367
18 HD1 TYR 3 HD1 TYR 3 -7.464 -3.708 -3.708
19 HD2 TYR 3 HD2 TYR 3 -6.297 -2.035 -2.035
20 HE1 TYR 3 HE1 TYR 3 -5.399 -5.033 -5.033
21 HE2 TYR 3 HE2 TYR 3 -4.259 -3.392 -3.392
22 HH TYR 3 HH TYR 3 -3.104 -5.131 -5.131
23 H LYS 4 H LYS 4 -7.952 2.000 2.000
24 HA LYS 4 HA LYS 4 -7.260 3.792 3.792
25 1HB LYS 4 2HB LYS 4 -6.433 2.550 2.550
26 2HB LYS 4 1HB LYS 4 -4.936 2.091 2.091
27 1HG LYS 4 2HG LYS 4 -4.364 4.533 4.533
28 2HG LYS 4 1HG LYS 4 -5.722 4.800 4.800
29 1HD LYS 4 2HD LYS 4 -3.124 3.158 3.158
30 2HD LYS 4 1HD LYS 4 -3.651 4.611 4.611
31 1HE LYS 4 2HE LYS 4 -3.911 2.803 2.803
32 2HE LYS 4 1HE LYS 4 -5.588 3.171 3.171
33 1HZ LYS 4 1HZ LYS 4 -3.818 0.968 0.968
34 2HZ LYS 4 3HZ LYS 4 -5.117 0.787 0.787
35 3HZ LYS 4 2HZ LYS 4 -5.405 1.239 1.239
36 H LYS 5 H LYS 5 -5.064 1.453 1.453
37 HA LYS 5 HA LYS 5 -4.032 1.290 1.290
38 1HB LYS 5 2HB LYS 5 -3.820 4.345 4.345
39 2HB LYS 5 1HB LYS 5 -2.922 3.263 3.263
40 1HG LYS 5 2HG LYS 5 -4.772 2.357 2.357
41 2HG LYS 5 1HG LYS 5 -5.931 3.061 3.061
42 1HD LYS 5 2HD LYS 5 -5.769 5.207 5.207
43 2HD LYS 5 1HD LYS 5 -4.064 5.015 5.015
44 1HE LYS 5 2HE LYS 5 -4.735 3.707 3.707
45 2HE LYS 5 1HE LYS 5 -6.489 3.839 3.839
46 1HZ LYS 5 3HZ LYS 5 -6.235 6.282 6.282
47 2HZ LYS 5 2HZ LYS 5 -4.625 6.068 6.068
48 3HZ LYS 5 1HZ LYS 5 -5.898 5.480 5.480
49 H ALA 6 H ALA 6 -1.493 2.823 2.823
50 HA ALA 6 HA ALA 6 -0.019 1.984 1.984
51 1HB ALA 6 1HB ALA 6 0.797 1.202 1.202
52 2HB ALA 6 3HB ALA 6 0.912 2.905 2.905
53 3HB ALA 6 2HB ALA 6 1.999 2.295 2.295
54 H LYS 7 H LYS 7 1.939 3.629 3.629
55 HA LYS 7 HA LYS 7 1.086 6.425 6.425
56 1HB LYS 7 2HB LYS 7 3.457 4.961 4.961
57 2HB LYS 7 1HB LYS 7 2.985 6.672 6.672
58 1HG LYS 7 2HG LYS 7 1.025 6.102 6.102
59 2HG LYS 7 1HG LYS 7 1.131 4.354 4.354
60 1HD LYS 7 2HD LYS 7 3.204 4.048 4.048
61 2HD LYS 7 1HD LYS 7 3.351 5.825 5.825
62 1HE LYS 7 2HE LYS 7 1.334 5.755 5.755
63 2HE LYS 7 1HE LYS 7 1.190 3.964 3.964
64 1HZ LYS 7 3HZ LYS 7 3.491 3.778 3.778
65 2HZ LYS 7 2HZ LYS 7 3.475 5.432 5.432
66 3HZ LYS 7 1HZ LYS 7 2.379 4.395 4.395
67 H GLN 8 H GLN 8 1.391 6.913 6.913
68 HA GLN 8 HA GLN 8 4.104 6.873 6.873
69 1HB GLN 8 2HB GLN 8 1.554 5.884 5.884
70 2HB GLN 8 1HB GLN 8 3.113 6.290 6.290
71 1HG GLN 8 2HG GLN 8 2.754 4.037 4.037
72 2HG GLN 8 1HG GLN 8 2.644 3.841 3.841
73 1HE2 GLN 8 2HE2 GLN 8 6.309 4.075 4.075
74 2HE2 GLN 8 1HE2 GLN 8 4.898 4.566 4.566
75 H ALA 9 H ALA 9 1.652 7.911 7.911
76 HA ALA 9 HA ALA 9 2.175 10.673 10.673
77 1HB ALA 9 2HB ALA 9 2.099 9.838 9.838
78 2HB ALA 9 1HB ALA 9 0.371 9.389 9.389
79 3HB ALA 9 3HB ALA 9 0.886 11.113 11.113
80 H SER 10 H SER 10 1.240 11.384 11.384
81 HA SER 10 HA SER 10 -1.284 11.532 11.532
82 1HB SER 10 2HB SER 10 -1.629 9.062 9.062
83 2HB SER 10 1HB SER 10 -0.033 8.709 8.709
84 HG SER 10 HG SER 10 -2.141 8.572 8.572
85 H GLN 11 H GLN 11 -0.070 10.155 10.155
86 HA GLN 11 HA GLN 11 0.813 12.514 12.514
87 1HB GLN 11 2HB GLN 11 0.806 11.451 11.451
88 2HB GLN 11 1HB GLN 11 -0.556 10.800 10.800
89 1HG GLN 11 2HG GLN 11 0.089 8.676 8.676
90 2HG GLN 11 1HG GLN 11 1.783 8.940 8.940
91 1HE2 GLN 11 2HE2 GLN 11 3.057 8.741 8.741
92 2HE2 GLN 11 1HE2 GLN 11 3.320 8.414 8.414
93 H ASP 12 H ASP 12 2.655 9.770 9.770
94 HA ASP 12 HA ASP 12 5.102 10.662 10.662
95 1HB ASP 12 2HB ASP 12 4.321 8.315 8.315
96 2HB ASP 12 1HB ASP 12 6.050 8.733 8.733
97 H ALA 13 H ALA 13 3.384 11.212 11.212
98 HA ALA 13 HA ALA 13 5.706 12.429 12.429
99 1HB ALA 13 3HB ALA 13 3.927 11.397 11.397
100 2HB ALA 13 2HB ALA 13 2.733 12.616 12.616
101 3HB ALA 13 1HB ALA 13 4.157 13.135 13.135
102 H GLU 14 H GLU 14 2.902 13.331 13.331
103 HA GLU 14 HA GLU 14 3.140 16.141 16.141
104 1HB GLU 14 2HB GLU 14 0.983 14.891 14.891
105 2HB GLU 14 1HB GLU 14 1.485 14.444 14.444
106 1HG GLU 14 2HG GLU 14 1.496 17.094 17.094
107 2HG GLU 14 1HG GLU 14 0.626 17.185 17.185
108 H GLN 15 H GLN 15 3.786 13.909 13.909
109 HA GLN 15 HA GLN 15 4.532 15.934 15.934
110 1HB GLN 15 2HB GLN 15 3.869 13.445 13.445
111 2HB GLN 15 1HB GLN 15 5.543 13.045 13.045
112 1HG GLN 15 2HG GLN 15 5.361 13.272 13.272
113 2HG GLN 15 1HG GLN 15 6.097 14.836 14.836
114 1HE2 GLN 15 2HE2 GLN 15 1.966 15.092 15.092
115 2HE2 GLN 15 1HE2 GLN 15 2.621 14.113 14.113
116 H ALA 16 H ALA 16 6.220 14.335 14.335
117 HA ALA 16 HA ALA 16 8.853 15.253 15.253
118 1HB ALA 16 2HB ALA 16 8.629 13.166 13.166
119 2HB ALA 16 1HB ALA 16 7.945 14.069 14.069
120 3HB ALA 16 3HB ALA 16 9.639 14.361 14.361
121 H ALA 17 H ALA 17 6.170 16.982 16.982
122 HA ALA 17 HA ALA 17 7.859 19.162 19.162
123 1HB ALA 17 2HB ALA 17 5.617 18.840 18.840
124 2HB ALA 17 1HB ALA 17 4.795 19.120 19.120
125 3HB ALA 17 3HB ALA 17 5.757 20.438 20.438
126 H LYS 18 H LYS 18 5.815 18.131 18.131
127 HA LYS 18 HA LYS 18 5.971 20.628 20.628
128 1HB LYS 18 2HB LYS 18 3.918 19.261 19.261
129 2HB LYS 18 1HB LYS 18 4.704 17.958 17.958
130 1HG LYS 18 2HG LYS 18 4.889 19.496 19.496
131 2HG LYS 18 1HG LYS 18 4.257 20.855 20.855
132 1HD LYS 18 2HD LYS 18 2.141 19.626 19.626
133 2HD LYS 18 1HD LYS 18 2.761 18.257 18.257
134 1HE LYS 18 2HE LYS 18 2.944 19.787 19.787
135 2HE LYS 18 1HE LYS 18 2.415 21.175 21.175
136 1HZ LYS 18 3HZ LYS 18 0.453 19.365 19.365
137 2HZ LYS 18 2HZ LYS 18 0.800 19.127 19.127
138 3HZ LYS 18 1HZ LYS 18 0.412 20.682 20.682
139 H ASP 19 H ASP 19 7.761 17.517 17.517
140 HA ASP 19 HA ASP 19 8.775 18.091 18.091
141 1HB ASP 19 2HB ASP 19 8.351 15.793 15.793
142 2HB ASP 19 1HB ASP 19 10.043 15.934 15.934
143 H ALA 20 H ALA 20 9.398 19.591 19.591
144 HA ALA 20 HA ALA 20 12.061 20.592 20.592
145 1HB ALA 20 3HB ALA 20 10.250 21.199 21.199
146 2HB ALA 20 2HB ALA 20 11.836 22.008 22.008
147 3HB ALA 20 1HB ALA 20 11.765 20.230 20.230
148 H GLU 21 H GLU 21 8.601 21.320 21.320
149 HA GLU 21 HA GLU 21 9.126 24.139 24.139
150 1HB GLU 21 2HB GLU 21 6.467 22.590 22.590
151 2HB GLU 21 1HB GLU 21 6.685 24.358 24.358
152 1HG GLU 21 2HG GLU 21 7.368 24.619 24.619
153 2HG GLU 21 1HG GLU 21 7.131 22.854 22.854
154 H ASN 22 H ASN 22 8.675 21.048 21.048
155 HA ASN 22 HA ASN 22 8.276 21.677 21.677
156 1HB ASN 22 2HB ASN 22 9.186 19.152 19.152
157 2HB ASN 22 1HB ASN 22 9.356 19.204 19.204
158 1HD2 ASN 22 2HD2 ASN 22 6.111 17.574 17.574
159 2HD2 ASN 22 1HD2 ASN 22 7.686 17.311 17.311
160 H ALA 23 H ALA 23 11.340 21.472 21.472
161 HA ALA 23 HA ALA 23 12.932 20.945 20.945
162 1HB ALA 23 1HB ALA 23 13.643 20.363 20.363
163 2HB ALA 23 3HB ALA 23 13.875 22.081 22.081
164 3HB ALA 23 2HB ALA 23 14.904 21.319 21.319
165 H SER 24 H SER 24 11.927 24.046 24.046
166 HA SER 24 HA SER 24 13.500 25.538 25.538
167 1HB SER 24 2HB SER 24 13.391 26.280 26.280
168 2HB SER 24 1HB SER 24 11.703 26.812 26.812
169 HG SER 24 HG SER 24 12.770 27.990 27.990
170 H LYS 25 H LYS 25 10.596 23.796 23.796
171 HA LYS 25 HA LYS 25 9.192 25.621 25.621
172 1HB LYS 25 2HB LYS 25 7.990 24.421 24.421
173 2HB LYS 25 1HB LYS 25 8.544 22.848 22.848
174 1HG LYS 25 2HG LYS 25 6.934 24.598 24.598
175 2HG LYS 25 1HG LYS 25 6.150 23.726 23.726
176 1HD LYS 25 2HD LYS 25 6.740 21.612 21.612
177 2HD LYS 25 1HD LYS 25 7.892 22.197 22.197
178 1HE LYS 25 2HE LYS 25 5.556 21.280 21.280
179 2HE LYS 25 1HE LYS 25 6.355 22.754 22.754
180 1HZ LYS 25 2HZ LYS 25 4.137 22.974 22.974
181 2HZ LYS 25 1HZ LYS 25 4.057 23.070 23.070
182 3HZ LYS 25 3HZ LYS 25 5.041 24.191 24.191
183 H GLU 26 H GLU 26 11.683 23.291 23.291
184 HA GLU 26 HA GLU 26 11.478 22.487 22.487
185 1HB GLU 26 2HB GLU 26 13.711 22.231 22.231
186 2HB GLU 26 1HB GLU 26 13.748 21.430 21.430
187 1HG GLU 26 2HG GLU 26 11.838 20.027 20.027
188 2HG GLU 26 1HG GLU 26 11.500 20.898 20.898
189 H ALA 27 H ALA 27 12.178 25.432 25.432
190 HA ALA 27 HA ALA 27 13.886 26.304 26.304
191 1HB ALA 27 1HB ALA 27 14.396 27.263 27.263
192 2HB ALA 27 3HB ALA 27 12.748 27.961 27.961
193 3HB ALA 27 2HB ALA 27 13.879 28.532 28.532
194 H GLU 28 H GLU 28 10.519 25.720 25.720
195 HA GLU 28 HA GLU 28 9.369 28.114 28.114
196 1HB GLU 28 2HB GLU 28 8.278 26.248 26.248
197 2HB GLU 28 1HB GLU 28 8.155 25.306 25.306
198 1HG GLU 28 2HG GLU 28 6.550 26.988 26.988
199 2HG GLU 28 1HG GLU 28 6.757 28.043 28.043
200 H GLU 29 H GLU 29 10.686 25.754 25.754
201 HA GLU 29 HA GLU 29 9.513 26.909 26.909
202 1HB GLU 29 2HB GLU 29 11.141 24.448 24.448
203 2HB GLU 29 1HB GLU 29 11.344 25.055 25.055
204 1HG GLU 29 2HG GLU 29 8.564 24.450 24.450
205 2HG GLU 29 1HG GLU 29 9.582 23.324 23.324
206 H ALA 30 H ALA 30 12.473 27.365 27.365
207 HA ALA 30 HA ALA 30 13.871 28.643 28.643
208 1HB ALA 30 3HB ALA 30 15.157 27.182 27.182
209 2HB ALA 30 2HB ALA 30 14.711 28.228 28.228
210 3HB ALA 30 1HB ALA 30 15.746 28.877 28.877
211 H ALA 31 H ALA 31 12.048 29.214 29.214
212 HA ALA 31 HA ALA 31 12.382 32.082 32.082
213 1HB ALA 31 3HB ALA 31 12.376 30.650 30.650
214 2HB ALA 31 2HB ALA 31 10.685 30.152 30.152
215 3HB ALA 31 1HB ALA 31 11.062 31.883 31.883
216 H LYS 32 H LYS 32 11.064 30.824 30.824
217 HA LYS 32 HA LYS 32 8.426 32.101 32.101
218 1HB LYS 32 2HB LYS 32 8.685 29.613 29.613
219 2HB LYS 32 1HB LYS 32 9.402 30.178 30.178
220 1HG LYS 32 2HG LYS 32 7.312 30.208 30.208
221 2HG LYS 32 1HG LYS 32 7.006 31.695 31.695
222 1HD LYS 32 2HD LYS 32 6.333 30.125 30.125
223 2HD LYS 32 1HD LYS 32 6.453 28.773 28.773
224 1HE LYS 32 2HE LYS 32 4.698 29.978 29.978
225 2HE LYS 32 1HE LYS 32 4.571 31.262 31.262
226 1HZ LYS 32 1HZ LYS 32 3.888 29.604 29.604
227 2HZ LYS 32 3HZ LYS 32 3.907 28.370 28.370
228 3HZ LYS 32 2HZ LYS 32 2.833 29.696 29.696
229 H GLU 33 H GLU 33 10.621 31.532 31.532
230 HA GLU 33 HA GLU 33 9.881 33.946 33.946
231 1HB GLU 33 2HB GLU 33 12.171 32.026 32.026
232 2HB GLU 33 1HB GLU 33 11.430 33.275 33.275
233 1HG GLU 33 2HG GLU 33 10.071 30.723 30.723
234 2HG GLU 33 1HG GLU 33 10.568 31.142 31.142
235 H ALA 34 H ALA 34 12.471 33.327 33.327
236 HA ALA 34 HA ALA 34 14.144 35.539 35.539
237 1HB ALA 34 2HB ALA 34 14.504 33.508 33.508
238 2HB ALA 34 1HB ALA 34 15.728 34.732 34.732
239 3HB ALA 34 3HB ALA 34 15.227 33.423 33.423
240 H VAL 35 H VAL 35 12.047 34.709 34.709
241 HA VAL 35 HA VAL 35 13.093 37.028 37.028
242 HB VAL 35 HB VAL 35 11.534 34.620 34.620
243 1HG1 VAL 35 1HG1 VAL 35 13.360 36.752 36.752
244 2HG1 VAL 35 3HG1 VAL 35 12.627 35.308 35.308
245 3HG1 VAL 35 2HG1 VAL 35 11.570 36.634 36.634
246 1HG2 VAL 35 1HG2 VAL 35 14.569 35.102 35.102
247 2HG2 VAL 35 3HG2 VAL 35 13.605 33.747 33.747
248 3HG2 VAL 35 2HG2 VAL 35 13.866 33.849 33.849
249 H ASN 36 H ASN 36 10.085 35.734 35.734
250 HA ASN 36 HA ASN 36 8.750 38.197 38.197
251 1HB ASN 36 2HB ASN 36 6.821 37.189 37.189
252 2HB ASN 36 1HB ASN 36 8.140 36.208 36.208
253 1HD2 ASN 36 2HD2 ASN 36 6.907 33.202 33.202
254 2HD2 ASN 36 1HD2 ASN 36 8.215 33.818 33.818
255 H LEU 37 H LEU 37 9.061 35.791 35.791
256 HA LEU 37 HA LEU 37 9.273 36.232 36.232
257 1HB LEU 37 2HB LEU 37 8.209 39.074 39.074
258 2HB LEU 37 1HB LEU 37 8.324 38.382 38.382
259 HG LEU 37 HG LEU 37 10.190 39.869 39.869
260 1HD1 LEU 37 2HD1 LEU 37 10.877 37.109 37.109
261 2HD1 LEU 37 1HD1 LEU 37 11.901 38.589 38.589
262 3HD1 LEU 37 3HD1 LEU 37 10.287 38.557 38.557
263 1HD2 LEU 37 1HD2 LEU 37 10.625 39.022 39.022
264 2HD2 LEU 37 3HD2 LEU 37 12.102 39.074 39.074
265 3HD2 LEU 37 2HD2 LEU 37 11.289 37.503 37.503
266 H LYS 38 HN LYS 38 6.388 35.494 35.494
267 HA LYS 38 HA LYS 38 4.829 35.360 35.360
268 1HB LYS 38 2HB LYS 38 3.752 36.119 36.119
269 2HB LYS 38 1HB LYS 38 2.805 36.086 36.086
270 1HG LYS 38 2HG LYS 38 5.039 38.145 38.145
271 2HG LYS 38 1HG LYS 38 3.330 38.266 38.266
272 1HD LYS 38 2HD LYS 38 3.502 39.726 39.726
273 2HD LYS 38 1HD LYS 38 2.539 38.352 38.352
274 1HE LYS 38 2HE LYS 38 5.565 39.018 39.018
275 2HE LYS 38 1HE LYS 38 4.222 39.478 39.478
276 1HZ LYS 38 3HZ LYS 38 4.967 36.802 36.802
277 2HZ LYS 38 2HZ LYS 38 5.537 37.547 37.547
278 3HZ LYS 38 1HZ LYS 38 3.858 37.171 37.171
Start of MODEL 11
1 1H GLU 1 2H GLU 1 -15.228 5.959 5.959
2 2H GLU 1 1H GLU 1 -14.704 7.359 7.359
3 3H GLU 1 3H GLU 1 -16.375 7.097 7.097
4 HA GLU 1 HA GLU 1 -16.235 7.389 7.389
5 1HB GLU 1 2HB GLU 1 -15.762 9.501 9.501
6 2HB GLU 1 1HB GLU 1 -14.066 9.429 9.429
7 1HG GLU 1 2HG GLU 1 -16.634 9.669 9.669
8 2HG GLU 1 1HG GLU 1 -15.727 11.072 11.072
9 H ALA 2 H ALA 2 -13.213 8.369 8.369
10 HA ALA 2 HA ALA 2 -12.341 5.601 5.601
11 1HB ALA 2 3HB ALA 2 -11.829 8.253 8.253
12 2HB ALA 2 2HB ALA 2 -11.176 6.638 6.638
13 3HB ALA 2 1HB ALA 2 -12.940 6.953 6.953
14 H TYR 3 H TYR 3 -10.020 5.443 5.443
15 HA TYR 3 HA TYR 3 -8.199 7.291 7.291
16 1HB TYR 3 2HB TYR 3 -8.683 6.296 6.296
17 2HB TYR 3 1HB TYR 3 -8.776 4.649 4.649
18 HD1 TYR 3 HD2 TYR 3 -6.170 7.456 7.456
19 HD2 TYR 3 HD1 TYR 3 -7.042 3.320 3.320
20 HE1 TYR 3 HE2 TYR 3 -3.749 7.002 7.002
21 HE2 TYR 3 HE1 TYR 3 -4.655 2.863 2.863
22 HH TYR 3 HH TYR 3 -2.552 3.703 3.703
23 H LYS 4 H LYS 4 -6.442 7.055 7.055
24 HA LYS 4 HA LYS 4 -5.263 4.610 4.610
25 1HB LYS 4 2HB LYS 4 -7.019 4.364 4.364
26 2HB LYS 4 1HB LYS 4 -6.363 5.805 5.805
27 1HG LYS 4 2HG LYS 4 -4.227 4.585 4.585
28 2HG LYS 4 1HG LYS 4 -4.768 3.302 3.302
29 1HD LYS 4 2HD LYS 4 -6.663 2.736 2.736
30 2HD LYS 4 1HD LYS 4 -6.027 3.964 3.964
31 1HE LYS 4 2HE LYS 4 -5.310 1.652 1.652
32 2HE LYS 4 1HE LYS 4 -3.883 2.682 2.682
33 1HZ LYS 4 2HZ LYS 4 -3.943 1.669 1.669
34 2HZ LYS 4 1HZ LYS 4 -5.191 0.621 0.621
35 3HZ LYS 4 3HZ LYS 4 -3.670 0.550 0.550
36 H LYS 5 H LYS 5 -3.318 5.636 5.636
37 HA LYS 5 HA LYS 5 -2.092 7.515 7.515
38 1HB LYS 5 2HB LYS 5 -2.580 8.264 8.264
39 2HB LYS 5 1HB LYS 5 -1.201 8.865 8.865
40 1HG LYS 5 2HG LYS 5 -2.450 10.650 10.650
41 2HG LYS 5 1HG LYS 5 -2.993 9.682 9.682
42 1HD LYS 5 2HD LYS 5 -4.974 8.903 8.903
43 2HD LYS 5 1HD LYS 5 -4.489 10.175 10.175
44 1HE LYS 5 2HE LYS 5 -5.287 10.593 10.593
45 2HE LYS 5 1HE LYS 5 -6.377 10.865 10.865
46 1HZ LYS 5 3HZ LYS 5 -3.785 12.285 12.285
47 2HZ LYS 5 2HZ LYS 5 -5.234 12.886 12.886
48 3HZ LYS 5 1HZ LYS 5 -5.088 12.687 12.687
49 H ALA 6 H ALA 6 0.170 7.131 7.131
50 HA ALA 6 HA ALA 6 0.777 4.555 4.555
51 1HB ALA 6 1HB ALA 6 1.506 4.953 4.953
52 2HB ALA 6 3HB ALA 6 2.484 6.366 6.366
53 3HB ALA 6 2HB ALA 6 2.919 4.704 4.704
54 H LYS 7 H LYS 7 1.310 7.980 7.980
55 HA LYS 7 HA LYS 7 3.519 7.456 7.456
56 1HB LYS 7 2HB LYS 7 3.700 9.215 9.215
57 2HB LYS 7 1HB LYS 7 2.679 10.269 10.269
58 1HG LYS 7 2HG LYS 7 4.811 10.952 10.952
59 2HG LYS 7 1HG LYS 7 4.454 9.802 9.802
60 1HD LYS 7 2HD LYS 7 6.527 8.953 8.953
61 2HD LYS 7 1HD LYS 7 5.617 8.026 8.026
62 1HE LYS 7 2HE LYS 7 7.653 8.916 8.916
63 2HE LYS 7 1HE LYS 7 6.249 9.774 9.774
64 1HZ LYS 7 2HZ LYS 7 7.599 10.938 10.938
65 2HZ LYS 7 1HZ LYS 7 8.337 11.065 11.065
66 3HZ LYS 7 3HZ LYS 7 6.798 11.718 11.718
67 H GLN 8 H GLN 8 0.783 9.673 9.673
68 HA GLN 8 HA GLN 8 -1.161 9.722 9.722
69 1HB GLN 8 2HB GLN 8 -0.897 7.656 7.656
70 2HB GLN 8 1HB GLN 8 -0.044 8.545 8.545
71 1HG GLN 8 2HG GLN 8 -2.189 9.722 9.722
72 2HG GLN 8 1HG GLN 8 -2.930 9.182 9.182
73 1HE2 GLN 8 2HE2 GLN 8 -2.509 6.124 6.124
74 2HE2 GLN 8 1HE2 GLN 8 -1.237 7.313 7.313
75 H ALA 9 H ALA 9 -1.950 11.739 11.739
76 HA ALA 9 HA ALA 9 0.106 13.700 13.700
77 1HB ALA 9 3HB ALA 9 -1.058 14.124 14.124
78 2HB ALA 9 2HB ALA 9 -2.644 14.129 14.129
79 3HB ALA 9 1HB ALA 9 -1.428 15.404 15.404
80 H SER 10 H SER 10 -0.480 12.215 12.215
81 HA SER 10 HA SER 10 -2.113 13.774 13.774
82 1HB SER 10 2HB SER 10 -1.983 10.642 10.642
83 2HB SER 10 1HB SER 10 -2.957 11.677 11.677
84 HG SER 10 HG SER 10 -3.815 12.448 12.448
85 H GLN 11 H GLN 11 -0.984 11.555 11.555
86 HA GLN 11 HA GLN 11 1.190 13.040 13.040
87 1HB GLN 11 2HB GLN 11 1.485 11.429 11.429
88 2HB GLN 11 1HB GLN 11 -0.218 11.932 11.932
89 1HG GLN 11 2HG GLN 11 -0.917 9.749 9.749
90 2HG GLN 11 1HG GLN 11 0.786 9.265 9.265
91 1HE2 GLN 11 2HE2 GLN 11 -0.644 8.625 8.625
92 2HE2 GLN 11 1HE2 GLN 11 -1.715 8.970 8.970
93 H ASP 12 H ASP 12 1.136 10.401 10.401
94 HA ASP 12 HA ASP 12 3.913 9.756 9.756
95 1HB ASP 12 2HB ASP 12 1.742 9.172 9.172
96 2HB ASP 12 1HB ASP 12 3.320 8.294 8.294
97 H ALA 13 H ALA 13 2.346 12.355 12.355
98 HA ALA 13 HA ALA 13 4.921 12.912 12.912
99 1HB ALA 13 1HB ALA 13 3.010 13.092 13.092
100 2HB ALA 13 3HB ALA 13 2.238 14.329 14.329
101 3HB ALA 13 2HB ALA 13 3.839 14.663 14.663
102 H GLU 14 H GLU 14 2.321 13.930 13.930
103 HA GLU 14 HA GLU 14 3.405 16.436 16.436
104 1HB GLU 14 2HB GLU 14 0.972 15.688 15.688
105 2HB GLU 14 1HB GLU 14 1.298 14.981 14.981
106 1HG GLU 14 2HG GLU 14 2.008 17.400 17.400
107 2HG GLU 14 1HG GLU 14 1.408 17.923 17.923
108 H GLN 15 H GLN 15 4.045 13.276 13.276
109 HA GLN 15 HA GLN 15 4.917 14.526 14.526
110 1HB GLN 15 2HB GLN 15 4.137 12.032 12.032
111 2HB GLN 15 1HB GLN 15 5.742 11.709 11.709
112 1HG GLN 15 2HG GLN 15 5.681 11.070 11.070
113 2HG GLN 15 1HG GLN 15 6.681 12.569 12.569
114 1HE2 GLN 15 2HE2 GLN 15 4.464 13.750 13.750
115 2HE2 GLN 15 1HE2 GLN 15 6.076 13.189 13.189
116 H ALA 16 H ALA 16 6.414 13.736 13.736
117 HA ALA 16 HA ALA 16 9.154 14.165 14.165
118 1HB ALA 16 1HB ALA 16 8.579 12.450 12.450
119 2HB ALA 16 3HB ALA 16 7.970 13.743 13.743
120 3HB ALA 16 2HB ALA 16 9.721 13.675 13.675
121 H ALA 17 H ALA 17 6.589 16.293 16.293
122 HA ALA 17 HA ALA 17 8.462 18.457 18.457
123 1HB ALA 17 2HB ALA 17 6.285 18.461 18.461
124 2HB ALA 17 1HB ALA 17 5.398 18.569 18.569
125 3HB ALA 17 3HB ALA 17 6.472 19.927 19.927
126 H LYS 18 H LYS 18 6.720 17.066 17.066
127 HA LYS 18 HA LYS 18 6.415 19.483 19.483
128 1HB LYS 18 2HB LYS 18 4.856 17.419 17.419
129 2HB LYS 18 1HB LYS 18 5.990 16.668 16.668
130 1HG LYS 18 2HG LYS 18 5.548 18.833 18.833
131 2HG LYS 18 1HG LYS 18 4.323 19.245 19.245
132 1HD LYS 18 2HD LYS 18 3.367 16.785 16.785
133 2HD LYS 18 1HD LYS 18 4.416 16.868 16.868
134 1HE LYS 18 2HE LYS 18 2.203 17.464 17.464
135 2HE LYS 18 1HE LYS 18 3.137 19.008 19.008
136 1HZ LYS 18 2HZ LYS 18 2.110 19.434 19.434
137 2HZ LYS 18 1HZ LYS 18 1.160 18.036 18.036
138 3HZ LYS 18 3HZ LYS 18 0.979 19.331 19.331
139 H ASP 19 H ASP 19 8.943 17.049 17.049
140 HA ASP 19 HA ASP 19 10.066 17.789 17.789
141 1HB ASP 19 2HB ASP 19 9.967 15.381 15.381
142 2HB ASP 19 1HB ASP 19 11.499 15.851 15.851
143 H ALA 20 H ALA 20 10.068 19.157 19.157
144 HA ALA 20 HA ALA 20 12.699 20.417 20.417
145 1HB ALA 20 1HB ALA 20 12.061 19.665 19.665
146 2HB ALA 20 3HB ALA 20 10.564 20.647 20.647
147 3HB ALA 20 2HB ALA 20 12.183 21.459 21.459
148 H GLU 21 H GLU 21 9.192 21.146 21.146
149 HA GLU 21 HA GLU 21 9.566 23.925 23.925
150 1HB GLU 21 2HB GLU 21 7.091 22.119 22.119
151 2HB GLU 21 1HB GLU 21 7.043 23.890 23.890
152 1HG GLU 21 2HG GLU 21 7.557 24.449 24.449
153 2HG GLU 21 1HG GLU 21 7.922 22.730 22.730
154 H ASN 22 H ASN 22 9.232 20.893 20.893
155 HA ASN 22 HA ASN 22 8.808 21.909 21.909
156 1HB ASN 22 2HB ASN 22 9.941 19.260 19.260
157 2HB ASN 22 1HB ASN 22 10.151 19.616 19.616
158 1HD2 ASN 22 2HD2 ASN 22 6.788 17.907 17.907
159 2HD2 ASN 22 1HD2 ASN 22 8.157 17.770 17.770
160 H ALA 23 H ALA 23 11.703 22.156 22.156
161 HA ALA 23 HA ALA 23 13.603 22.221 22.221
162 1HB ALA 23 3HB ALA 23 14.257 21.715 21.715
163 2HB ALA 23 2HB ALA 23 13.853 23.379 23.379
164 3HB ALA 23 1HB ALA 23 15.208 23.089 23.089
165 H SER 24 H SER 24 11.641 24.725 24.725
166 HA SER 24 HA SER 24 12.752 26.895 26.895
167 1HB SER 24 2HB SER 24 10.763 28.104 28.104
168 2HB SER 24 1HB SER 24 12.352 27.667 27.667
169 HG SER 24 HG SER 24 10.070 25.951 25.951
170 H LYS 25 H LYS 25 10.476 24.412 24.412
171 HA LYS 25 HA LYS 25 8.482 26.150 26.150
172 1HB LYS 25 2HB LYS 25 7.761 24.242 24.242
173 2HB LYS 25 1HB LYS 25 8.775 23.108 23.108
174 1HG LYS 25 2HG LYS 25 6.624 24.729 24.729
175 2HG LYS 25 1HG LYS 25 6.155 23.321 23.321
176 1HD LYS 25 2HD LYS 25 7.320 21.732 21.732
177 2HD LYS 25 1HD LYS 25 8.291 22.847 22.847
178 1HE LYS 25 2HE LYS 25 5.208 22.726 22.726
179 2HE LYS 25 1HE LYS 25 6.379 21.880 21.880
180 1HZ LYS 25 1HZ LYS 25 6.965 24.714 24.714
181 2HZ LYS 25 3HZ LYS 25 5.527 24.403 24.403
182 3HZ LYS 25 2HZ LYS 25 7.009 23.777 23.777
183 H GLU 26 H GLU 26 11.253 24.136 24.136
184 HA GLU 26 HA GLU 26 10.575 23.634 23.634
185 1HB GLU 26 2HB GLU 26 12.796 22.644 22.644
186 2HB GLU 26 1HB GLU 26 12.097 22.254 22.254
187 1HG GLU 26 2HG GLU 26 14.210 22.708 22.708
188 2HG GLU 26 1HG GLU 26 13.539 24.347 24.347
189 H ALA 27 H ALA 27 11.671 26.409 26.409
190 HA ALA 27 HA ALA 27 13.175 27.708 27.708
191 1HB ALA 27 3HB ALA 27 13.568 28.161 28.161
192 2HB ALA 27 2HB ALA 27 11.889 28.788 28.788
193 3HB ALA 27 1HB ALA 27 13.092 29.676 29.676
194 H GLU 28 H GLU 28 9.947 27.043 27.043
195 HA GLU 28 HA GLU 28 9.050 29.462 29.462
196 1HB GLU 28 2HB GLU 28 7.633 26.867 26.867
197 2HB GLU 28 1HB GLU 28 6.821 28.085 28.085
198 1HG GLU 28 2HG GLU 28 8.022 28.869 28.869
199 2HG GLU 28 1HG GLU 28 6.314 28.319 28.319
200 H GLU 29 H GLU 29 9.484 25.934 25.934
201 HA GLU 29 HA GLU 29 9.274 26.117 26.117
202 1HB GLU 29 2HB GLU 29 10.463 23.958 23.958
203 2HB GLU 29 1HB GLU 29 10.269 23.778 23.778
204 1HG GLU 29 2HG GLU 29 8.532 22.575 22.575
205 2HG GLU 29 1HG GLU 29 7.769 23.993 23.993
206 H ALA 30 H ALA 30 11.824 26.660 26.660
207 HA ALA 30 HA ALA 30 14.001 26.594 26.594
208 1HB ALA 30 1HB ALA 30 14.212 26.346 26.346
209 2HB ALA 30 3HB ALA 30 13.967 28.133 28.133
210 3HB ALA 30 2HB ALA 30 15.388 27.480 27.480
211 H ALA 31 H ALA 31 11.519 28.651 28.651
212 HA ALA 31 HA ALA 31 13.207 30.885 30.885
213 1HB ALA 31 2HB ALA 31 10.154 30.406 30.406
214 2HB ALA 31 1HB ALA 31 11.037 31.882 31.882
215 3HB ALA 31 3HB ALA 31 10.996 31.461 31.461
216 H LYS 32 H LYS 32 12.722 27.787 27.787
217 HA LYS 32 HA LYS 32 13.106 28.242 28.242
218 1HB LYS 32 2HB LYS 32 11.538 26.245 26.245
219 2HB LYS 32 1HB LYS 32 12.388 25.560 25.560
220 1HG LYS 32 2HG LYS 32 11.327 26.994 26.994
221 2HG LYS 32 1HG LYS 32 10.717 28.094 28.094
222 1HD LYS 32 2HD LYS 32 9.308 26.283 26.283
223 2HD LYS 32 1HD LYS 32 9.844 25.170 25.170
224 1HE LYS 32 2HE LYS 32 8.877 26.731 26.731
225 2HE LYS 32 1HE LYS 32 8.339 27.860 27.860
226 1HZ LYS 32 2HZ LYS 32 6.940 26.082 26.082
227 2HZ LYS 32 1HZ LYS 32 7.437 25.045 25.045
228 3HZ LYS 32 3HZ LYS 32 6.563 26.459 26.459
229 H GLU 33 H GLU 33 13.964 25.222 25.222
230 HA GLU 33 HA GLU 33 16.039 25.002 25.002
231 1HB GLU 33 2HB GLU 33 15.496 23.081 23.081
232 2HB GLU 33 1HB GLU 33 16.305 22.752 22.752
233 1HG GLU 33 2HG GLU 33 14.184 21.787 21.787
234 2HG GLU 33 1HG GLU 33 14.011 23.333 23.333
235 H ALA 34 H ALA 34 16.021 26.311 26.311
236 HA ALA 34 HA ALA 34 18.841 25.907 25.907
237 1HB ALA 34 2HB ALA 34 17.071 25.859 25.859
238 2HB ALA 34 1HB ALA 34 16.714 27.585 27.585
239 3HB ALA 34 3HB ALA 34 18.335 27.098 27.098
240 H VAL 35 H VAL 35 17.038 28.031 28.031
241 HA VAL 35 HA VAL 35 18.826 30.364 30.364
242 HB VAL 35 HB VAL 35 15.910 30.209 30.209
243 1HG1 VAL 35 2HG1 VAL 35 17.775 32.680 32.680
244 2HG1 VAL 35 1HG1 VAL 35 15.994 32.724 32.724
245 3HG1 VAL 35 3HG1 VAL 35 17.053 32.037 32.037
246 1HG2 VAL 35 3HG2 VAL 35 16.273 29.975 29.975
247 2HG2 VAL 35 2HG2 VAL 35 15.470 31.522 31.522
248 3HG2 VAL 35 1HG2 VAL 35 17.224 31.499 31.499
249 H ASN 36 H ASN 36 16.848 28.625 28.625
250 HA ASN 36 HA ASN 36 18.788 29.616 29.616
251 1HB ASN 36 2HB ASN 36 16.873 29.910 29.910
252 2HB ASN 36 1HB ASN 36 16.857 31.008 31.008
253 1HD2 ASN 36 2HD2 ASN 36 13.637 29.754 29.754
254 2HD2 ASN 36 1HD2 ASN 36 14.860 30.916 30.916
255 H LEU 37 H LEU 37 17.073 26.802 26.802
256 HA LEU 37 HA LEU 37 17.597 24.700 24.700
257 1HB LEU 37 2HB LEU 37 20.003 25.583 25.583
258 2HB LEU 37 1HB LEU 37 19.694 23.894 23.894
259 HG LEU 37 HG LEU 37 19.869 24.383 24.383
260 1HD1 LEU 37 3HD1 LEU 37 20.785 27.224 27.224
261 2HD1 LEU 37 2HD1 LEU 37 21.035 26.471 26.471
262 3HD1 LEU 37 1HD1 LEU 37 19.372 26.788 26.788
263 1HD2 LEU 37 1HD2 LEU 37 21.760 23.512 23.512
264 2HD2 LEU 37 3HD2 LEU 37 22.323 24.530 24.530
265 3HD2 LEU 37 2HD2 LEU 37 22.322 25.202 25.202
266 H LYS 38 HN LYS 38 15.908 26.166 26.166
267 HA LYS 38 HA LYS 38 16.267 23.913 23.913
268 1HB LYS 38 2HB LYS 38 17.757 25.860 25.860
269 2HB LYS 38 1HB LYS 38 16.323 26.909 26.909
270 1HG LYS 38 2HG LYS 38 15.303 25.233 25.233
271 2HG LYS 38 1HG LYS 38 17.012 24.784 24.784
272 1HD LYS 38 2HD LYS 38 16.168 26.460 26.460
273 2HD LYS 38 1HD LYS 38 17.489 27.197 27.197
274 1HE LYS 38 2HE LYS 38 15.871 28.474 28.474
275 2HE LYS 38 1HE LYS 38 14.474 27.520 27.520
276 1HZ LYS 38 3HZ LYS 38 16.182 29.268 29.268
277 2HZ LYS 38 2HZ LYS 38 14.760 29.773 29.773
278 3HZ LYS 38 1HZ LYS 38 14.699 28.517 28.517
Start of MODEL 12
1 1H GLU 1 2H GLU 1 -13.383 13.396 13.396
2 2H GLU 1 1H GLU 1 -12.667 12.116 12.116
3 3H GLU 1 3H GLU 1 -13.625 11.770 11.770
4 HA GLU 1 HA GLU 1 -12.159 12.951 12.951
5 1HB GLU 1 2HB GLU 1 -11.703 10.299 10.299
6 2HB GLU 1 1HB GLU 1 -10.205 10.930 10.930
7 1HG GLU 1 2HG GLU 1 -11.713 9.575 9.575
8 2HG GLU 1 1HG GLU 1 -11.435 11.261 11.261
9 H ALA 2 H ALA 2 -9.764 12.184 12.184
10 HA ALA 2 HA ALA 2 -9.003 14.962 14.962
11 1HB ALA 2 2HB ALA 2 -7.215 12.736 12.736
12 2HB ALA 2 1HB ALA 2 -6.582 14.348 14.348
13 3HB ALA 2 3HB ALA 2 -7.767 14.224 14.224
14 H TYR 3 H TYR 3 -7.270 15.096 15.096
15 HA TYR 3 HA TYR 3 -6.362 14.681 14.681
16 1HB TYR 3 2HB TYR 3 -5.878 12.311 12.311
17 2HB TYR 3 1HB TYR 3 -7.529 11.842 11.842
18 HD1 TYR 3 HD2 TYR 3 -4.310 13.467 13.467
19 HD2 TYR 3 HD1 TYR 3 -8.012 11.512 11.512
20 HE1 TYR 3 HE2 TYR 3 -3.601 13.344 13.344
21 HE2 TYR 3 HE1 TYR 3 -7.360 11.490 11.490
22 HH TYR 3 HH TYR 3 -5.549 11.734 11.734
23 H LYS 4 H LYS 4 -6.868 15.612 15.612
24 HA LYS 4 HA LYS 4 -9.082 15.110 15.110
25 1HB LYS 4 2HB LYS 4 -9.046 17.742 17.742
26 2HB LYS 4 1HB LYS 4 -9.631 17.749 17.749
27 1HG LYS 4 2HG LYS 4 -11.393 16.253 16.253
28 2HG LYS 4 1HG LYS 4 -10.993 16.120 16.120
29 1HD LYS 4 2HD LYS 4 -11.098 18.512 18.512
30 2HD LYS 4 1HD LYS 4 -11.439 18.774 18.774
31 1HE LYS 4 2HE LYS 4 -13.317 17.470 17.470
32 2HE LYS 4 1HE LYS 4 -13.534 19.086 19.086
33 1HZ LYS 4 1HZ LYS 4 -13.573 16.445 16.445
34 2HZ LYS 4 3HZ LYS 4 -14.922 17.389 17.389
35 3HZ LYS 4 2HZ LYS 4 -13.806 17.949 17.949
36 H LYS 5 H LYS 5 -6.806 14.514 14.514
37 HA LYS 5 HA LYS 5 -5.688 14.748 14.748
38 1HB LYS 5 2HB LYS 5 -5.927 17.773 17.773
39 2HB LYS 5 1HB LYS 5 -5.189 16.684 16.684
40 1HG LYS 5 2HG LYS 5 -7.479 15.431 15.431
41 2HG LYS 5 1HG LYS 5 -8.144 16.897 16.897
42 1HD LYS 5 2HD LYS 5 -6.687 16.623 16.623
43 2HD LYS 5 1HD LYS 5 -8.440 16.922 16.922
44 1HE LYS 5 2HE LYS 5 -6.137 18.897 18.897
45 2HE LYS 5 1HE LYS 5 -7.176 19.020 19.020
46 1HZ LYS 5 3HZ LYS 5 -8.190 19.017 19.017
47 2HZ LYS 5 2HZ LYS 5 -7.896 20.407 20.407
48 3HZ LYS 5 1HZ LYS 5 -9.068 19.277 19.277
49 H ALA 6 H ALA 6 -3.543 14.521 14.521
50 HA ALA 6 HA ALA 6 -1.718 15.545 15.545
51 1HB ALA 6 2HB ALA 6 -1.250 13.399 13.399
52 2HB ALA 6 1HB ALA 6 -0.061 13.936 13.936
53 3HB ALA 6 3HB ALA 6 -1.563 13.123 13.123
54 H LYS 7 H LYS 7 0.411 16.170 16.170
55 HA LYS 7 HA LYS 7 -0.194 18.477 18.477
56 1HB LYS 7 2HB LYS 7 0.692 18.392 18.392
57 2HB LYS 7 1HB LYS 7 2.274 17.922 17.922
58 1HG LYS 7 2HG LYS 7 1.614 20.200 20.200
59 2HG LYS 7 1HG LYS 7 0.738 20.549 20.549
60 1HD LYS 7 2HD LYS 7 2.912 20.211 20.211
61 2HD LYS 7 1HD LYS 7 3.676 19.721 19.721
62 1HE LYS 7 2HE LYS 7 3.082 22.104 22.104
63 2HE LYS 7 1HE LYS 7 2.709 22.561 22.561
64 1HZ LYS 7 3HZ LYS 7 5.012 21.657 21.657
65 2HZ LYS 7 2HZ LYS 7 5.277 21.653 21.653
66 3HZ LYS 7 1HZ LYS 7 4.955 23.114 23.114
67 H GLN 8 H GLN 8 0.954 15.533 15.533
68 HA GLN 8 HA GLN 8 1.673 16.311 16.311
69 1HB GLN 8 2HB GLN 8 3.968 16.770 16.770
70 2HB GLN 8 1HB GLN 8 4.107 15.115 15.115
71 1HG GLN 8 2HG GLN 8 3.964 14.165 14.165
72 2HG GLN 8 1HG GLN 8 3.766 15.826 15.826
73 1HE2 GLN 8 2HE2 GLN 8 7.267 16.670 16.670
74 2HE2 GLN 8 1HE2 GLN 8 5.693 17.385 17.385
75 H ALA 9 H ALA 9 2.780 13.665 13.665
76 HA ALA 9 HA ALA 9 1.543 11.696 11.696
77 1HB ALA 9 1HB ALA 9 3.737 11.373 11.373
78 2HB ALA 9 3HB ALA 9 3.118 10.069 10.069
79 3HB ALA 9 2HB ALA 9 3.975 11.477 11.477
80 H SER 10 H SER 10 2.140 11.626 11.626
81 HA SER 10 HA SER 10 -0.523 10.708 10.708
82 1HB SER 10 2HB SER 10 1.914 8.766 8.766
83 2HB SER 10 1HB SER 10 0.281 8.387 8.387
84 HG SER 10 HG SER 10 -0.467 8.714 8.714
85 H GLN 11 H GLN 11 0.503 9.406 9.406
86 HA GLN 11 HA GLN 11 0.736 11.780 11.780
87 1HB GLN 11 2HB GLN 11 0.739 10.327 10.327
88 2HB GLN 11 1HB GLN 11 -0.610 10.132 10.132
89 1HG GLN 11 2HG GLN 11 0.508 8.013 8.013
90 2HG GLN 11 1HG GLN 11 1.744 8.166 8.166
91 1HE2 GLN 11 2HE2 GLN 11 -0.687 5.958 5.958
92 2HE2 GLN 11 1HE2 GLN 11 0.670 5.923 5.923
93 H ASP 12 H ASP 12 3.228 9.706 9.706
94 HA ASP 12 HA ASP 12 5.402 10.688 10.688
95 1HB ASP 12 2HB ASP 12 5.241 9.692 9.692
96 2HB ASP 12 1HB ASP 12 6.761 9.952 9.952
97 H ALA 13 H ALA 13 3.408 12.394 12.394
98 HA ALA 13 HA ALA 13 5.594 14.347 14.347
99 1HB ALA 13 2HB ALA 13 3.572 13.280 13.280
100 2HB ALA 13 1HB ALA 13 3.074 14.985 14.985
101 3HB ALA 13 3HB ALA 13 4.718 14.602 14.602
102 H GLU 14 H GLU 14 2.863 13.725 13.725
103 HA GLU 14 HA GLU 14 2.361 16.450 16.450
104 1HB GLU 14 2HB GLU 14 0.556 14.716 14.716
105 2HB GLU 14 1HB GLU 14 1.008 13.893 13.893
106 1HG GLU 14 2HG GLU 14 0.596 16.055 16.055
107 2HG GLU 14 1HG GLU 14 0.156 16.861 16.861
108 H GLN 15 H GLN 15 3.887 13.437 13.437
109 HA GLN 15 HA GLN 15 4.440 14.536 14.536
110 1HB GLN 15 2HB GLN 15 4.068 12.122 12.122
111 2HB GLN 15 1HB GLN 15 5.533 12.037 12.037
112 1HG GLN 15 2HG GLN 15 6.068 11.060 11.060
113 2HG GLN 15 1HG GLN 15 6.933 12.626 12.626
114 1HE2 GLN 15 2HE2 GLN 15 5.320 13.374 13.374
115 2HE2 GLN 15 1HE2 GLN 15 6.595 13.779 13.779
116 H ALA 16 H ALA 16 6.508 13.952 13.952
117 HA ALA 16 HA ALA 16 8.892 14.838 14.838
118 1HB ALA 16 2HB ALA 16 8.892 13.155 13.155
119 2HB ALA 16 1HB ALA 16 8.358 14.390 14.390
120 3HB ALA 16 3HB ALA 16 9.968 14.536 14.536
121 H ALA 17 H ALA 17 6.294 16.500 16.500
122 HA ALA 17 HA ALA 17 7.557 19.104 19.104
123 1HB ALA 17 3HB ALA 17 5.576 18.504 18.504
124 2HB ALA 17 2HB ALA 17 4.559 18.283 18.283
125 3HB ALA 17 1HB ALA 17 5.192 19.916 19.916
126 H LYS 18 H LYS 18 6.328 17.100 17.100
127 HA LYS 18 HA LYS 18 5.533 19.327 19.327
128 1HB LYS 18 2HB LYS 18 5.020 16.368 16.368
129 2HB LYS 18 1HB LYS 18 4.881 17.436 17.436
130 1HG LYS 18 2HG LYS 18 3.299 18.850 18.850
131 2HG LYS 18 1HG LYS 18 3.544 18.222 18.222
132 1HD LYS 18 2HD LYS 18 2.501 16.096 16.096
133 2HD LYS 18 1HD LYS 18 2.464 16.456 16.456
134 1HE LYS 18 2HE LYS 18 0.191 16.756 16.756
135 2HE LYS 18 1HE LYS 18 0.744 18.119 18.119
136 1HZ LYS 18 1HZ LYS 18 1.647 19.197 19.197
137 2HZ LYS 18 3HZ LYS 18 1.034 17.980 17.980
138 3HZ LYS 18 2HZ LYS 18 -0.036 18.959 18.959
139 H ASP 19 H ASP 19 8.113 16.953 16.953
140 HA ASP 19 HA ASP 19 9.281 17.574 17.574
141 1HB ASP 19 2HB ASP 19 10.449 15.782 15.782
142 2HB ASP 19 1HB ASP 19 10.973 15.895 15.895
143 H ALA 20 H ALA 20 9.186 19.148 19.148
144 HA ALA 20 HA ALA 20 11.817 20.440 20.440
145 1HB ALA 20 1HB ALA 20 10.975 19.954 19.954
146 2HB ALA 20 3HB ALA 20 9.502 20.940 20.940
147 3HB ALA 20 2HB ALA 20 11.132 21.721 21.721
148 H GLU 21 H GLU 21 8.369 21.042 21.042
149 HA GLU 21 HA GLU 21 8.878 23.798 23.798
150 1HB GLU 21 2HB GLU 21 6.375 23.778 23.778
151 2HB GLU 21 1HB GLU 21 6.766 23.436 23.436
152 1HG GLU 21 2HG GLU 21 6.339 21.163 21.163
153 2HG GLU 21 1HG GLU 21 6.371 21.122 21.122
154 H ASN 22 H ASN 22 9.044 20.653 20.653
155 HA ASN 22 HA ASN 22 8.386 21.363 21.363
156 1HB ASN 22 2HB ASN 22 9.256 18.790 18.790
157 2HB ASN 22 1HB ASN 22 9.467 18.924 18.924
158 1HD2 ASN 22 2HD2 ASN 22 5.798 17.876 17.876
159 2HD2 ASN 22 1HD2 ASN 22 7.045 17.775 17.775
160 H ALA 23 H ALA 23 11.159 21.770 21.770
161 HA ALA 23 HA ALA 23 13.184 21.400 21.400
162 1HB ALA 23 3HB ALA 23 13.670 21.292 21.292
163 2HB ALA 23 2HB ALA 23 13.384 23.052 23.052
164 3HB ALA 23 1HB ALA 23 14.772 22.440 22.440
165 H SER 24 H SER 24 11.400 24.348 24.348
166 HA SER 24 HA SER 24 12.726 26.036 26.036
167 1HB SER 24 2HB SER 24 11.110 27.786 27.786
168 2HB SER 24 1HB SER 24 12.396 27.048 27.048
169 HG SER 24 HG SER 24 9.645 26.577 26.577
170 H LYS 25 H LYS 25 10.284 23.780 23.780
171 HA LYS 25 HA LYS 25 8.682 25.035 25.035
172 1HB LYS 25 2HB LYS 25 8.277 22.918 22.918
173 2HB LYS 25 1HB LYS 25 7.649 22.424 22.424
174 1HG LYS 25 2HG LYS 25 6.002 23.398 23.398
175 2HG LYS 25 1HG LYS 25 6.317 24.448 24.448
176 1HD LYS 25 2HD LYS 25 7.631 26.059 26.059
177 2HD LYS 25 1HD LYS 25 7.370 25.056 25.056
178 1HE LYS 25 2HE LYS 25 5.228 26.533 26.533
179 2HE LYS 25 1HE LYS 25 5.819 27.002 27.002
180 1HZ LYS 25 3HZ LYS 25 4.511 24.431 24.431
181 2HZ LYS 25 2HZ LYS 25 3.694 25.762 25.762
182 3HZ LYS 25 1HZ LYS 25 4.924 24.947 24.947
183 H GLU 26 H GLU 26 11.429 22.839 22.839
184 HA GLU 26 HA GLU 26 11.320 22.506 22.506
185 1HB GLU 26 2HB GLU 26 13.516 21.783 21.783
186 2HB GLU 26 1HB GLU 26 13.625 21.548 21.548
187 1HG GLU 26 2HG GLU 26 11.468 20.165 20.165
188 2HG GLU 26 1HG GLU 26 11.736 20.135 20.135
189 H ALA 27 H ALA 27 12.324 24.830 24.830
190 HA ALA 27 HA ALA 27 14.548 25.873 25.873
191 1HB ALA 27 1HB ALA 27 14.412 25.577 25.577
192 2HB ALA 27 3HB ALA 27 13.460 27.107 27.107
193 3HB ALA 27 2HB ALA 27 15.138 27.091 27.091
194 H GLU 28 H GLU 28 11.206 26.947 26.947
195 HA GLU 28 HA GLU 28 11.185 29.440 29.440
196 1HB GLU 28 2HB GLU 28 8.776 29.387 29.387
197 2HB GLU 28 1HB GLU 28 9.441 28.465 28.465
198 1HG GLU 28 2HG GLU 28 8.969 26.301 26.301
199 2HG GLU 28 1HG GLU 28 8.181 27.234 27.234
200 H GLU 29 H GLU 29 11.420 26.463 26.463
201 HA GLU 29 HA GLU 29 9.710 27.286 27.286
202 1HB GLU 29 2HB GLU 29 10.251 24.843 24.843
203 2HB GLU 29 1HB GLU 29 11.535 24.826 24.826
204 1HG GLU 29 2HG GLU 29 9.703 25.317 25.317
205 2HG GLU 29 1HG GLU 29 8.500 25.238 25.238
206 H ALA 30 H ALA 30 12.859 28.219 28.219
207 HA ALA 30 HA ALA 30 13.782 28.372 28.372
208 1HB ALA 30 1HB ALA 30 14.858 29.803 29.803
209 2HB ALA 30 3HB ALA 30 15.626 29.802 29.802
210 3HB ALA 30 2HB ALA 30 15.468 28.279 28.279
211 H ALA 31 H ALA 31 12.416 30.676 30.676
212 HA ALA 31 HA ALA 31 12.007 32.794 32.794
213 1HB ALA 31 1HB ALA 31 11.438 32.613 32.613
214 2HB ALA 31 3HB ALA 31 11.204 34.085 34.085
215 3HB ALA 31 2HB ALA 31 12.845 33.407 33.407
216 H LYS 32 H LYS 32 10.040 30.973 30.973
217 HA LYS 32 HA LYS 32 8.028 30.225 30.225
218 1HB LYS 32 2HB LYS 32 7.712 30.836 30.836
219 2HB LYS 32 1HB LYS 32 6.502 29.942 29.942
220 1HG LYS 32 2HG LYS 32 7.940 28.129 28.129
221 2HG LYS 32 1HG LYS 32 9.381 29.011 29.011
222 1HD LYS 32 2HD LYS 32 6.983 28.154 28.154
223 2HD LYS 32 1HD LYS 32 8.490 27.200 27.200
224 1HE LYS 32 2HE LYS 32 9.859 29.222 29.222
225 2HE LYS 32 1HE LYS 32 8.294 29.952 29.952
226 1HZ LYS 32 2HZ LYS 32 8.162 27.469 27.469
227 2HZ LYS 32 1HZ LYS 32 9.829 27.705 27.705
228 3HZ LYS 32 3HZ LYS 32 8.842 28.806 28.806
229 H GLU 33 H GLU 33 7.659 31.907 31.907
230 HA GLU 33 HA GLU 33 6.233 34.306 34.306
231 1HB GLU 33 2HB GLU 33 6.368 35.116 35.116
232 2HB GLU 33 1HB GLU 33 7.943 34.692 34.692
233 1HG GLU 33 2HG GLU 33 6.699 32.378 32.378
234 2HG GLU 33 1HG GLU 33 6.911 33.887 33.887
235 H ALA 34 H ALA 34 5.538 31.260 31.260
236 HA ALA 34 HA ALA 34 2.839 31.758 31.758
237 1HB ALA 34 1HB ALA 34 4.249 30.119 30.119
238 2HB ALA 34 3HB ALA 34 4.394 29.053 29.053
239 3HB ALA 34 2HB ALA 34 2.781 29.351 29.351
240 H VAL 35 H VAL 35 4.445 29.630 29.630
241 HA VAL 35 HA VAL 35 1.832 29.016 29.016
242 HB VAL 35 HB VAL 35 3.354 27.328 27.328
243 1HG1 VAL 35 1HG1 VAL 35 5.558 28.140 28.140
244 2HG1 VAL 35 3HG1 VAL 35 5.073 27.671 27.671
245 3HG1 VAL 35 2HG1 VAL 35 5.253 26.417 26.417
246 1HG2 VAL 35 3HG2 VAL 35 1.464 26.738 26.738
247 2HG2 VAL 35 2HG2 VAL 35 2.838 25.580 25.580
248 3HG2 VAL 35 1HG2 VAL 35 2.568 26.773 26.773
249 H ASN 36 H ASN 36 3.534 31.565 31.565
250 HA ASN 36 HA ASN 36 2.850 31.876 31.876
251 1HB ASN 36 2HB ASN 36 5.145 30.756 30.756
252 2HB ASN 36 1HB ASN 36 5.811 31.859 31.859
253 1HD2 ASN 36 2HD2 ASN 36 6.742 34.171 34.171
254 2HD2 ASN 36 1HD2 ASN 36 7.375 33.061 33.061
255 H LEU 37 H LEU 37 3.040 34.409 34.409
256 HA LEU 37 HA LEU 37 4.007 35.817 35.817
257 1HB LEU 37 2HB LEU 37 1.014 35.438 35.438
258 2HB LEU 37 1HB LEU 37 1.494 37.138 37.138
259 HG LEU 37 HG LEU 37 0.671 36.505 36.505
260 1HD1 LEU 37 2HD1 LEU 37 2.708 37.944 37.944
261 2HD1 LEU 37 1HD1 LEU 37 3.706 36.482 36.482
262 3HD1 LEU 37 3HD1 LEU 37 2.378 36.972 36.972
263 1HD2 LEU 37 2HD2 LEU 37 0.869 33.987 33.987
264 2HD2 LEU 37 1HD2 LEU 37 1.136 34.685 34.685
265 3HD2 LEU 37 3HD2 LEU 37 2.528 34.167 34.167
266 H LYS 38 HN LYS 38 4.657 35.413 35.413
267 HA LYS 38 HA LYS 38 4.612 38.173 38.173
268 1HB LYS 38 2HB LYS 38 3.426 37.850 37.850
269 2HB LYS 38 1HB LYS 38 2.313 37.664 37.664
270 1HG LYS 38 2HG LYS 38 1.719 35.626 35.626
271 2HG LYS 38 1HG LYS 38 3.371 34.980 34.980
272 1HD LYS 38 2HD LYS 38 1.941 36.493 36.493
273 2HD LYS 38 1HD LYS 38 1.816 34.736 34.736
274 1HE LYS 38 2HE LYS 38 3.423 35.019 35.019
275 2HE LYS 38 1HE LYS 38 4.219 34.343 34.343
276 1HZ LYS 38 2HZ LYS 38 5.110 36.664 36.664
277 2HZ LYS 38 1HZ LYS 38 4.366 37.137 37.137
278 3HZ LYS 38 3HZ LYS 38 5.588 35.931 35.931
Start of MODEL 13
1 1H GLU 1 1H GLU 1 13.035 9.776 9.776
2 2H GLU 1 3H GLU 1 11.787 10.045 10.045
3 3H GLU 1 2H GLU 1 12.695 8.605 8.605
4 HA GLU 1 HA GLU 1 11.830 7.934 7.934
5 1HB GLU 1 2HB GLU 1 10.492 7.237 7.237
6 2HB GLU 1 1HB GLU 1 9.615 8.815 8.815
7 1HG GLU 1 2HG GLU 1 8.289 6.859 6.859
8 2HG GLU 1 1HG GLU 1 8.403 8.206 8.206
9 H ALA 2 H ALA 2 10.622 8.411 8.411
10 HA ALA 2 HA ALA 2 10.223 9.516 9.516
11 1HB ALA 2 1HB ALA 2 8.333 10.457 10.457
12 2HB ALA 2 3HB ALA 2 9.314 11.903 11.903
13 3HB ALA 2 2HB ALA 2 8.875 11.579 11.579
14 H TYR 3 H TYR 3 10.918 11.167 11.167
15 HA TYR 3 HA TYR 3 13.074 12.901 12.901
16 1HB TYR 3 2HB TYR 3 14.838 11.942 11.942
17 2HB TYR 3 1HB TYR 3 14.587 11.084 11.084
18 HD1 TYR 3 HD1 TYR 3 13.746 8.818 8.818
19 HD2 TYR 3 HD2 TYR 3 14.167 10.857 10.857
20 HE1 TYR 3 HE1 TYR 3 13.675 6.657 6.657
21 HE2 TYR 3 HE2 TYR 3 14.060 8.698 8.698
22 HH TYR 3 HH TYR 3 13.970 5.573 5.573
23 H LYS 4 H LYS 4 11.548 11.199 11.199
24 HA LYS 4 HA LYS 4 10.840 13.816 13.816
25 1HB LYS 4 2HB LYS 4 13.289 13.147 13.147
26 2HB LYS 4 1HB LYS 4 12.585 11.909 11.909
27 1HG LYS 4 2HG LYS 4 12.033 14.981 14.981
28 2HG LYS 4 1HG LYS 4 13.337 14.166 14.166
29 1HD LYS 4 2HD LYS 4 11.672 12.847 12.847
30 2HD LYS 4 1HD LYS 4 10.342 13.764 13.764
31 1HE LYS 4 2HE LYS 4 11.271 15.930 15.930
32 2HE LYS 4 1HE LYS 4 12.648 15.023 15.023
33 1HZ LYS 4 2HZ LYS 4 11.020 13.796 13.796
34 2HZ LYS 4 1HZ LYS 4 9.764 14.732 14.732
35 3HZ LYS 4 3HZ LYS 4 10.973 15.465 15.465
36 H LYS 5 H LYS 5 8.596 13.349 13.349
37 HA LYS 5 HA LYS 5 7.790 10.836 10.836
38 1HB LYS 5 2HB LYS 5 8.078 11.054 11.054
39 2HB LYS 5 1HB LYS 5 6.410 11.644 11.644
40 1HG LYS 5 2HG LYS 5 7.657 8.980 8.980
41 2HG LYS 5 1HG LYS 5 6.723 9.282 9.282
42 1HD LYS 5 2HD LYS 5 4.699 9.900 9.900
43 2HD LYS 5 1HD LYS 5 5.610 9.154 9.154
44 1HE LYS 5 2HE LYS 5 4.594 7.817 7.817
45 2HE LYS 5 1HE LYS 5 4.053 7.452 7.452
46 1HZ LYS 5 3HZ LYS 5 6.839 7.106 7.106
47 2HZ LYS 5 2HZ LYS 5 5.679 5.904 5.904
48 3HZ LYS 5 1HZ LYS 5 6.095 6.357 6.357
49 H ALA 6 H ALA 6 5.453 11.225 11.225
50 HA ALA 6 HA ALA 6 4.874 14.027 14.027
51 1HB ALA 6 1HB ALA 6 4.685 12.468 12.468
52 2HB ALA 6 3HB ALA 6 3.480 11.467 11.467
53 3HB ALA 6 2HB ALA 6 3.086 13.157 13.157
54 H LYS 7 H LYS 7 2.890 14.980 14.980
55 HA LYS 7 HA LYS 7 2.002 14.158 14.158
56 1HB LYS 7 2HB LYS 7 2.939 16.398 16.398
57 2HB LYS 7 1HB LYS 7 1.585 16.711 16.711
58 1HG LYS 7 2HG LYS 7 0.079 16.282 16.282
59 2HG LYS 7 1HG LYS 7 1.674 16.363 16.363
60 1HD LYS 7 2HD LYS 7 1.052 18.550 18.550
61 2HD LYS 7 1HD LYS 7 1.928 18.652 18.652
62 1HE LYS 7 2HE LYS 7 -1.158 18.455 18.455
63 2HE LYS 7 1HE LYS 7 -0.238 19.920 19.920
64 1HZ LYS 7 3HZ LYS 7 0.338 18.699 18.699
65 2HZ LYS 7 2HZ LYS 7 -0.581 17.361 17.361
66 3HZ LYS 7 1HZ LYS 7 -1.336 18.858 18.858
67 H GLN 8 H GLN 8 0.661 12.356 12.356
68 HA GLN 8 HA GLN 8 -1.966 13.130 13.130
69 1HB GLN 8 2HB GLN 8 -0.379 12.139 12.139
70 2HB GLN 8 1HB GLN 8 -0.432 10.618 10.618
71 1HG GLN 8 2HG GLN 8 -3.074 10.708 10.708
72 2HG GLN 8 1HG GLN 8 -2.768 12.112 12.112
73 1HE2 GLN 8 2HE2 GLN 8 -2.792 9.255 9.255
74 2HE2 GLN 8 1HE2 GLN 8 -3.868 10.399 10.399
75 H ALA 9 H ALA 9 -0.103 11.237 11.237
76 HA ALA 9 HA ALA 9 -2.418 9.451 9.451
77 1HB ALA 9 1HB ALA 9 -0.160 8.412 8.412
78 2HB ALA 9 3HB ALA 9 0.356 9.239 9.239
79 3HB ALA 9 2HB ALA 9 -0.995 8.041 8.041
80 H SER 10 H SER 10 -0.196 11.244 11.244
81 HA SER 10 HA SER 10 -2.445 12.352 12.352
82 1HB SER 10 2HB SER 10 -1.016 9.971 9.971
83 2HB SER 10 1HB SER 10 -2.225 11.084 11.084
84 HG SER 10 HG SER 10 -3.216 10.023 10.023
85 H GLN 11 H GLN 11 -0.503 11.931 11.931
86 HA GLN 11 HA GLN 11 0.857 14.392 14.392
87 1HB GLN 11 2HB GLN 11 1.284 14.650 14.650
88 2HB GLN 11 1HB GLN 11 -0.438 14.344 14.344
89 1HG GLN 11 2HG GLN 11 -0.208 11.959 11.959
90 2HG GLN 11 1HG GLN 11 1.547 12.241 12.241
91 1HE2 GLN 11 2HE2 GLN 11 0.157 12.871 12.871
92 2HE2 GLN 11 1HE2 GLN 11 0.741 11.604 11.604
93 H ASP 12 H ASP 12 1.579 11.116 11.116
94 HA ASP 12 HA ASP 12 4.452 11.146 11.146
95 1HB ASP 12 2HB ASP 12 2.166 9.198 9.198
96 2HB ASP 12 1HB ASP 12 3.380 8.690 8.690
97 H ALA 13 H ALA 13 2.270 12.227 12.227
98 HA ALA 13 HA ALA 13 4.064 11.919 11.919
99 1HB ALA 13 1HB ALA 13 1.670 11.030 11.030
100 2HB ALA 13 3HB ALA 13 1.061 12.711 12.711
101 3HB ALA 13 2HB ALA 13 2.068 12.291 12.291
102 H GLU 14 H GLU 14 2.928 13.916 13.916
103 HA GLU 14 HA GLU 14 3.364 16.493 16.493
104 1HB GLU 14 2HB GLU 14 1.533 15.606 15.606
105 2HB GLU 14 1HB GLU 14 2.650 16.447 16.447
106 1HG GLU 14 2HG GLU 14 1.018 17.420 17.420
107 2HG GLU 14 1HG GLU 14 0.623 17.741 17.741
108 H GLN 15 H GLN 15 4.607 14.395 14.395
109 HA GLN 15 HA GLN 15 6.681 15.939 15.939
110 1HB GLN 15 2HB GLN 15 5.553 14.060 14.060
111 2HB GLN 15 1HB GLN 15 6.491 12.872 12.872
112 1HG GLN 15 2HG GLN 15 8.473 13.268 13.268
113 2HG GLN 15 1HG GLN 15 8.119 15.002 15.002
114 1HE2 GLN 15 2HE2 GLN 15 6.204 14.699 14.699
115 2HE2 GLN 15 1HE2 GLN 15 6.638 15.683 15.683
116 H ALA 16 H ALA 16 6.697 14.330 14.330
117 HA ALA 16 HA ALA 16 9.635 14.521 14.521
118 1HB ALA 16 2HB ALA 16 8.442 12.725 12.725
119 2HB ALA 16 1HB ALA 16 7.565 13.976 13.976
120 3HB ALA 16 3HB ALA 16 9.365 13.821 13.821
121 H ALA 17 H ALA 17 6.938 16.720 16.720
122 HA ALA 17 HA ALA 17 8.718 18.681 18.681
123 1HB ALA 17 2HB ALA 17 6.434 18.471 18.471
124 2HB ALA 17 1HB ALA 17 5.702 18.933 18.933
125 3HB ALA 17 3HB ALA 17 6.741 20.106 20.106
126 H LYS 18 H LYS 18 7.000 17.831 17.831
127 HA LYS 18 HA LYS 18 7.058 20.401 20.401
128 1HB LYS 18 2HB LYS 18 5.121 18.702 18.702
129 2HB LYS 18 1HB LYS 18 6.063 17.819 17.819
130 1HG LYS 18 2HG LYS 18 6.001 20.017 20.017
131 2HG LYS 18 1HG LYS 18 4.877 20.619 20.619
132 1HD LYS 18 2HD LYS 18 3.565 18.370 18.370
133 2HD LYS 18 1HD LYS 18 4.629 18.248 18.248
134 1HE LYS 18 2HE LYS 18 2.908 19.353 19.353
135 2HE LYS 18 1HE LYS 18 3.673 20.830 20.830
136 1HZ LYS 18 1HZ LYS 18 1.515 19.233 19.233
137 2HZ LYS 18 3HZ LYS 18 1.236 20.652 20.652
138 3HZ LYS 18 2HZ LYS 18 2.126 20.677 20.677
139 H ASP 19 H ASP 19 9.299 17.778 17.778
140 HA ASP 19 HA ASP 19 10.314 18.440 18.440
141 1HB ASP 19 2HB ASP 19 10.563 16.146 16.146
142 2HB ASP 19 1HB ASP 19 12.234 16.739 16.739
143 H ALA 20 H ALA 20 10.236 20.277 20.277
144 HA ALA 20 HA ALA 20 12.881 21.481 21.481
145 1HB ALA 20 2HB ALA 20 11.632 21.330 21.330
146 2HB ALA 20 1HB ALA 20 10.286 22.311 22.311
147 3HB ALA 20 3HB ALA 20 11.926 23.048 23.048
148 H GLU 21 H GLU 21 9.471 22.049 22.049
149 HA GLU 21 HA GLU 21 10.138 24.622 24.622
150 1HB GLU 21 2HB GLU 21 7.781 25.075 25.075
151 2HB GLU 21 1HB GLU 21 8.170 24.647 24.647
152 1HG GLU 21 2HG GLU 21 6.464 23.275 23.275
153 2HG GLU 21 1HG GLU 21 7.215 22.183 22.183
154 H ASN 22 H ASN 22 9.923 21.363 21.363
155 HA ASN 22 HA ASN 22 8.988 21.455 21.455
156 1HB ASN 22 2HB ASN 22 10.626 19.526 19.526
157 2HB ASN 22 1HB ASN 22 10.665 19.213 19.213
158 1HD2 ASN 22 2HD2 ASN 22 7.908 17.058 17.058
159 2HD2 ASN 22 1HD2 ASN 22 9.464 17.146 17.146
160 H ALA 23 H ALA 23 11.991 22.344 22.344
161 HA ALA 23 HA ALA 23 13.626 22.487 22.487
162 1HB ALA 23 1HB ALA 23 14.555 22.423 22.423
163 2HB ALA 23 3HB ALA 23 13.883 24.052 24.052
164 3HB ALA 23 2HB ALA 23 15.185 23.847 23.847
165 H SER 24 H SER 24 11.338 24.862 24.862
166 HA SER 24 HA SER 24 11.910 26.782 26.782
167 1HB SER 24 2HB SER 24 9.981 28.124 28.124
168 2HB SER 24 1HB SER 24 11.697 28.121 28.121
169 HG SER 24 HG SER 24 9.756 26.328 26.328
170 H LYS 25 H LYS 25 9.783 24.186 24.186
171 HA LYS 25 HA LYS 25 7.826 25.201 25.201
172 1HB LYS 25 2HB LYS 25 8.075 22.579 22.579
173 2HB LYS 25 1HB LYS 25 6.708 22.992 22.992
174 1HG LYS 25 2HG LYS 25 7.376 24.236 24.236
175 2HG LYS 25 1HG LYS 25 6.006 23.192 23.192
176 1HD LYS 25 2HD LYS 25 6.502 26.076 26.076
177 2HD LYS 25 1HD LYS 25 5.438 25.507 25.507
178 1HE LYS 25 2HE LYS 25 3.933 24.340 24.340
179 2HE LYS 25 1HE LYS 25 4.979 24.728 24.728
180 1HZ LYS 25 1HZ LYS 25 4.090 27.008 27.008
181 2HZ LYS 25 3HZ LYS 25 2.901 26.228 26.228
182 3HZ LYS 25 2HZ LYS 25 4.336 26.799 26.799
183 H GLU 26 H GLU 26 10.755 23.232 23.232
184 HA GLU 26 HA GLU 26 10.259 22.350 22.350
185 1HB GLU 26 2HB GLU 26 12.676 21.630 21.630
186 2HB GLU 26 1HB GLU 26 11.781 20.954 20.954
187 1HG GLU 26 2HG GLU 26 12.768 22.506 22.506
188 2HG GLU 26 1HG GLU 26 13.596 23.460 23.460
189 H ALA 27 H ALA 27 11.646 25.073 25.073
190 HA ALA 27 HA ALA 27 12.986 26.280 26.280
191 1HB ALA 27 2HB ALA 27 13.740 26.545 26.545
192 2HB ALA 27 1HB ALA 27 12.246 27.469 27.469
193 3HB ALA 27 3HB ALA 27 13.459 28.120 28.120
194 H GLU 28 H GLU 28 9.870 25.845 25.845
195 HA GLU 28 HA GLU 28 8.583 28.319 28.319
196 1HB GLU 28 2HB GLU 28 7.683 26.339 26.339
197 2HB GLU 28 1HB GLU 28 7.453 25.429 25.429
198 1HG GLU 28 2HG GLU 28 5.330 26.288 26.288
199 2HG GLU 28 1HG GLU 28 6.007 27.796 27.796
200 H GLU 29 H GLU 29 8.926 25.211 25.211
201 HA GLU 29 HA GLU 29 8.245 26.440 26.440
202 1HB GLU 29 2HB GLU 29 8.263 23.648 23.648
203 2HB GLU 29 1HB GLU 29 8.790 23.758 23.758
204 1HG GLU 29 2HG GLU 29 6.155 24.804 24.804
205 2HG GLU 29 1HG GLU 29 6.387 23.346 23.346
206 H ALA 30 H ALA 30 11.203 25.420 25.420
207 HA ALA 30 HA ALA 30 12.719 25.266 25.266
208 1HB ALA 30 3HB ALA 30 13.199 23.851 23.851
209 2HB ALA 30 2HB ALA 30 13.713 25.296 25.296
210 3HB ALA 30 1HB ALA 30 14.627 24.782 24.782
211 H ALA 31 H ALA 31 11.977 27.897 27.897
212 HA ALA 31 HA ALA 31 13.937 29.728 29.728
213 1HB ALA 31 3HB ALA 31 13.625 29.812 29.812
214 2HB ALA 31 2HB ALA 31 11.939 30.346 30.346
215 3HB ALA 31 1HB ALA 31 13.303 31.372 31.372
216 H LYS 32 H LYS 32 10.955 28.505 28.505
217 HA LYS 32 HA LYS 32 9.331 30.780 30.780
218 1HB LYS 32 2HB LYS 32 8.346 28.630 28.630
219 2HB LYS 32 1HB LYS 32 9.070 28.088 28.088
220 1HG LYS 32 2HG LYS 32 7.161 30.511 30.511
221 2HG LYS 32 1HG LYS 32 6.499 28.885 28.885
222 1HD LYS 32 2HD LYS 32 8.084 29.443 29.443
223 2HD LYS 32 1HD LYS 32 6.308 29.644 29.644
224 1HE LYS 32 2HE LYS 32 6.023 27.282 27.282
225 2HE LYS 32 1HE LYS 32 7.803 26.995 26.995
226 1HZ LYS 32 2HZ LYS 32 7.644 27.433 27.433
227 2HZ LYS 32 1HZ LYS 32 5.940 27.578 27.578
228 3HZ LYS 32 3HZ LYS 32 6.717 26.136 26.136
229 H GLU 33 H GLU 33 11.076 29.245 29.245
230 HA GLU 33 HA GLU 33 10.514 31.545 31.545
231 1HB GLU 33 2HB GLU 33 11.768 30.346 30.346
232 2HB GLU 33 1HB GLU 33 10.496 29.309 29.309
233 1HG GLU 33 2HG GLU 33 11.950 27.700 27.700
234 2HG GLU 33 1HG GLU 33 13.220 28.838 28.838
235 H ALA 34 H ALA 34 12.724 30.547 30.547
236 HA ALA 34 HA ALA 34 15.192 31.347 31.347
237 1HB ALA 34 3HB ALA 34 15.011 29.191 29.191
238 2HB ALA 34 2HB ALA 34 14.737 30.041 30.041
239 3HB ALA 34 1HB ALA 34 16.298 30.236 30.236
240 H VAL 35 H VAL 35 13.261 32.347 32.347
241 HA VAL 35 HA VAL 35 13.156 34.070 34.070
242 HB VAL 35 HB VAL 35 14.332 35.763 35.763
243 1HG1 VAL 35 2HG1 VAL 35 12.178 36.303 36.303
244 2HG1 VAL 35 1HG1 VAL 35 12.578 37.412 37.412
245 3HG1 VAL 35 3HG1 VAL 35 13.795 37.094 37.094
246 1HG2 VAL 35 2HG2 VAL 35 11.504 34.521 34.521
247 2HG2 VAL 35 1HG2 VAL 35 12.646 34.229 34.229
248 3HG2 VAL 35 3HG2 VAL 35 11.914 35.841 35.841
249 H ASN 36 H ASN 36 15.720 32.510 32.510
250 HA ASN 36 HA ASN 36 17.204 34.197 34.197
251 1HB ASN 36 2HB ASN 36 19.278 34.480 34.480
252 2HB ASN 36 1HB ASN 36 18.050 35.128 35.128
253 1HD2 ASN 36 2HD2 ASN 36 18.683 32.254 32.254
254 2HD2 ASN 36 1HD2 ASN 36 17.239 32.883 32.883
255 H LEU 37 H LEU 37 17.915 31.495 31.495
256 HA LEU 37 HA LEU 37 18.343 29.442 29.442
257 1HB LEU 37 2HB LEU 37 16.348 29.568 29.568
258 2HB LEU 37 1HB LEU 37 17.604 29.070 29.070
259 HG LEU 37 HG LEU 37 16.368 27.659 27.659
260 1HD1 LEU 37 2HD1 LEU 37 16.794 26.939 26.939
261 2HD1 LEU 37 1HD1 LEU 37 16.057 25.828 25.828
262 3HD1 LEU 37 3HD1 LEU 37 15.242 27.387 27.387
263 1HD2 LEU 37 3HD2 LEU 37 18.958 26.666 26.666
264 2HD2 LEU 37 2HD2 LEU 37 18.735 27.177 27.177
265 3HD2 LEU 37 1HD2 LEU 37 17.899 25.712 25.712
266 H LYS 38 HN LYS 38 20.538 31.296 31.296
267 HA LYS 38 HA LYS 38 22.424 29.491 29.491
268 1HB LYS 38 2HB LYS 38 22.339 32.458 32.458
269 2HB LYS 38 1HB LYS 38 23.685 31.312 31.312
270 1HG LYS 38 2HG LYS 38 22.048 29.863 29.863
271 2HG LYS 38 1HG LYS 38 20.904 31.238 31.238
272 1HD LYS 38 2HD LYS 38 23.736 31.160 31.160
273 2HD LYS 38 1HD LYS 38 22.172 31.093 31.093
274 1HE LYS 38 2HE LYS 38 21.631 33.456 33.456
275 2HE LYS 38 1HE LYS 38 23.262 33.515 33.515
276 1HZ LYS 38 1HZ LYS 38 24.227 33.118 33.118
277 2HZ LYS 38 3HZ LYS 38 22.704 33.225 33.225
278 3HZ LYS 38 2HZ LYS 38 23.350 34.563 34.563
Start of MODEL 14
1 1H GLU 1 2H GLU 1 0.141 -0.281 -0.281
2 2H GLU 1 1H GLU 1 0.825 1.012 1.012
3 3H GLU 1 3H GLU 1 -0.874 0.765 0.765
4 HA GLU 1 HA GLU 1 -0.036 0.042 0.042
5 1HB GLU 1 2HB GLU 1 2.326 -1.002 -1.002
6 2HB GLU 1 1HB GLU 1 2.014 -1.727 -1.727
7 1HG GLU 1 2HG GLU 1 3.587 0.008 0.008
8 2HG GLU 1 1HG GLU 1 2.026 0.471 0.471
9 H ALA 2 H ALA 2 0.284 -2.590 -2.590
10 HA ALA 2 HA ALA 2 -1.202 -4.404 -4.404
11 1HB ALA 2 1HB ALA 2 0.580 -5.154 -5.154
12 2HB ALA 2 3HB ALA 2 -0.370 -4.623 -4.623
13 3HB ALA 2 2HB ALA 2 -0.973 -5.963 -5.963
14 H TYR 3 H TYR 3 -2.334 -1.921 -1.921
15 HA TYR 3 HA TYR 3 -4.950 -2.551 -2.551
16 1HB TYR 3 2HB TYR 3 -4.252 -4.144 -4.144
17 2HB TYR 3 1HB TYR 3 -4.762 -2.669 -2.669
18 HD1 TYR 3 HD2 TYR 3 -5.746 -5.315 -5.315
19 HD2 TYR 3 HD1 TYR 3 -7.154 -2.086 -2.086
20 HE1 TYR 3 HE2 TYR 3 -8.054 -5.958 -5.958
21 HE2 TYR 3 HE1 TYR 3 -9.487 -2.718 -2.718
22 HH TYR 3 HH TYR 3 -10.295 -5.560 -5.560
23 H LYS 4 H LYS 4 -6.226 -0.802 -0.802
24 HA LYS 4 HA LYS 4 -6.617 1.236 1.236
25 1HB LYS 4 2HB LYS 4 -3.689 1.573 1.573
26 2HB LYS 4 1HB LYS 4 -4.891 2.869 2.869
27 1HG LYS 4 2HG LYS 4 -5.639 0.160 0.160
28 2HG LYS 4 1HG LYS 4 -4.255 0.962 0.962
29 1HD LYS 4 2HD LYS 4 -6.735 2.630 2.630
30 2HD LYS 4 1HD LYS 4 -6.849 1.345 1.345
31 1HE LYS 4 2HE LYS 4 -5.612 2.400 2.400
32 2HE LYS 4 1HE LYS 4 -4.340 2.882 2.882
33 1HZ LYS 4 3HZ LYS 4 -6.896 4.343 4.343
34 2HZ LYS 4 2HZ LYS 4 -5.803 4.680 4.680
35 3HZ LYS 4 1HZ LYS 4 -5.291 4.794 4.794
36 H LYS 5 H LYS 5 -5.516 0.353 0.353
37 HA LYS 5 HA LYS 5 -5.916 1.017 1.017
38 1HB LYS 5 2HB LYS 5 -6.924 3.630 3.630
39 2HB LYS 5 1HB LYS 5 -6.683 3.505 3.505
40 1HG LYS 5 2HG LYS 5 -8.470 1.583 1.583
41 2HG LYS 5 1HG LYS 5 -8.987 3.126 3.126
42 1HD LYS 5 2HD LYS 5 -7.934 2.231 2.231
43 2HD LYS 5 1HD LYS 5 -7.905 0.616 0.616
44 1HE LYS 5 2HE LYS 5 -10.384 2.425 2.425
45 2HE LYS 5 1HE LYS 5 -9.912 0.930 0.930
46 1HZ LYS 5 3HZ LYS 5 -10.285 -0.325 -0.325
47 2HZ LYS 5 2HZ LYS 5 -10.711 1.107 1.107
48 3HZ LYS 5 1HZ LYS 5 -11.685 0.530 0.530
49 H ALA 6 H ALA 6 -4.560 4.083 4.083
50 HA ALA 6 HA ALA 6 -2.357 3.838 3.838
51 1HB ALA 6 2HB ALA 6 -3.485 6.311 6.311
52 2HB ALA 6 1HB ALA 6 -1.997 6.327 6.327
53 3HB ALA 6 3HB ALA 6 -3.589 5.899 5.899
54 H LYS 7 H LYS 7 -2.097 5.912 5.912
55 HA LYS 7 HA LYS 7 -0.151 4.197 4.197
56 1HB LYS 7 2HB LYS 7 0.110 6.862 6.862
57 2HB LYS 7 1HB LYS 7 -0.279 7.126 7.126
58 1HG LYS 7 2HG LYS 7 2.127 7.100 7.100
59 2HG LYS 7 1HG LYS 7 1.642 5.677 5.677
60 1HD LYS 7 2HD LYS 7 1.723 4.230 4.230
61 2HD LYS 7 1HD LYS 7 2.284 5.614 5.614
62 1HE LYS 7 2HE LYS 7 4.426 5.646 5.646
63 2HE LYS 7 1HE LYS 7 3.772 4.712 4.712
64 1HZ LYS 7 3HZ LYS 7 3.739 3.405 3.405
65 2HZ LYS 7 2HZ LYS 7 5.194 3.455 3.455
66 3HZ LYS 7 1HZ LYS 7 3.714 2.767 2.767
67 H GLN 8 H GLN 8 -0.266 4.622 4.622
68 HA GLN 8 HA GLN 8 -2.667 3.533 3.533
69 1HB GLN 8 2HB GLN 8 -1.652 3.797 3.797
70 2HB GLN 8 1HB GLN 8 -0.894 2.771 2.771
71 1HG GLN 8 2HG GLN 8 0.168 5.647 5.647
72 2HG GLN 8 1HG GLN 8 0.506 4.508 4.508
73 1HE2 GLN 8 2HE2 GLN 8 3.082 2.912 2.912
74 2HE2 GLN 8 1HE2 GLN 8 2.656 3.816 3.816
75 H ALA 9 H ALA 9 -1.514 6.506 6.506
76 HA ALA 9 HA ALA 9 -4.306 7.508 7.508
77 1HB ALA 9 1HB ALA 9 -1.997 8.280 8.280
78 2HB ALA 9 3HB ALA 9 -3.662 8.994 8.994
79 3HB ALA 9 2HB ALA 9 -3.413 7.251 7.251
80 H SER 10 H SER 10 -1.107 7.894 7.894
81 HA SER 10 HA SER 10 -0.018 9.199 9.199
82 1HB SER 10 2HB SER 10 -2.572 10.705 10.705
83 2HB SER 10 1HB SER 10 -0.940 10.744 10.744
84 HG SER 10 HG SER 10 -2.685 9.222 9.222
85 H GLN 11 H GLN 11 -0.356 9.926 9.926
86 HA GLN 11 HA GLN 11 -0.183 12.786 12.786
87 1HB GLN 11 2HB GLN 11 0.088 12.444 12.444
88 2HB GLN 11 1HB GLN 11 -1.305 11.527 11.527
89 1HG GLN 11 2HG GLN 11 -0.149 9.388 9.388
90 2HG GLN 11 1HG GLN 11 1.373 10.193 10.193
91 1HE2 GLN 11 2HE2 GLN 11 -1.612 9.905 9.905
92 2HE2 GLN 11 1HE2 GLN 11 -2.041 9.510 9.510
93 H ASP 12 H ASP 12 2.091 10.090 10.090
94 HA ASP 12 HA ASP 12 4.456 11.564 11.564
95 1HB ASP 12 2HB ASP 12 3.640 8.685 8.685
96 2HB ASP 12 1HB ASP 12 5.305 9.069 9.069
97 H ALA 13 H ALA 13 2.547 11.393 11.393
98 HA ALA 13 HA ALA 13 4.720 11.656 11.656
99 1HB ALA 13 1HB ALA 13 2.804 10.158 10.158
100 2HB ALA 13 3HB ALA 13 1.657 11.527 11.527
101 3HB ALA 13 2HB ALA 13 2.888 11.559 11.559
102 H GLU 14 H GLU 14 2.515 13.487 13.487
103 HA GLU 14 HA GLU 14 2.710 15.934 15.934
104 1HB GLU 14 2HB GLU 14 0.479 15.192 15.192
105 2HB GLU 14 1HB GLU 14 1.117 15.392 15.392
106 1HG GLU 14 2HG GLU 14 1.609 17.781 17.781
107 2HG GLU 14 1HG GLU 14 1.029 17.555 17.555
108 H GLN 15 H GLN 15 3.476 14.458 14.458
109 HA GLN 15 HA GLN 15 4.539 16.801 16.801
110 1HB GLN 15 2HB GLN 15 3.499 14.514 14.514
111 2HB GLN 15 1HB GLN 15 5.196 14.179 14.179
112 1HG GLN 15 2HG GLN 15 3.495 16.737 16.737
113 2HG GLN 15 1HG GLN 15 3.597 15.299 15.299
114 1HE2 GLN 15 2HE2 GLN 15 6.219 17.906 17.906
115 2HE2 GLN 15 1HE2 GLN 15 4.505 18.056 18.056
116 H ALA 16 H ALA 16 5.986 14.249 14.249
117 HA ALA 16 HA ALA 16 8.690 14.879 14.879
118 1HB ALA 16 1HB ALA 16 7.175 13.671 13.671
119 2HB ALA 16 3HB ALA 16 8.967 13.760 13.760
120 3HB ALA 16 2HB ALA 16 8.067 12.799 12.799
121 H ALA 17 H ALA 17 6.179 16.745 16.745
122 HA ALA 17 HA ALA 17 8.303 18.155 18.155
123 1HB ALA 17 2HB ALA 17 5.267 18.569 18.569
124 2HB ALA 17 1HB ALA 17 6.451 19.454 19.454
125 3HB ALA 17 3HB ALA 17 6.244 17.683 17.683
126 H LYS 18 H LYS 18 6.640 18.523 18.523
127 HA LYS 18 HA LYS 18 6.845 21.434 21.434
128 1HB LYS 18 2HB LYS 18 5.790 19.476 19.476
129 2HB LYS 18 1HB LYS 18 5.722 21.276 21.276
130 1HG LYS 18 2HG LYS 18 4.375 21.333 21.333
131 2HG LYS 18 1HG LYS 18 4.397 19.539 19.539
132 1HD LYS 18 2HD LYS 18 3.222 19.364 19.364
133 2HD LYS 18 1HD LYS 18 3.202 21.160 21.160
134 1HE LYS 18 2HE LYS 18 1.702 21.503 21.503
135 2HE LYS 18 1HE LYS 18 1.931 19.826 19.826
136 1HZ LYS 18 1HZ LYS 18 0.949 19.728 19.728
137 2HZ LYS 18 3HZ LYS 18 -0.029 20.749 20.749
138 3HZ LYS 18 2HZ LYS 18 0.247 19.182 19.182
139 H ASP 19 H ASP 19 8.619 18.646 18.646
140 HA ASP 19 HA ASP 19 9.920 19.968 19.968
141 1HB ASP 19 2HB ASP 19 9.307 17.351 17.351
142 2HB ASP 19 1HB ASP 19 11.051 17.311 17.311
143 H ALA 20 H ALA 20 10.369 20.694 20.694
144 HA ALA 20 HA ALA 20 13.244 21.186 21.186
145 1HB ALA 20 3HB ALA 20 12.082 20.544 20.544
146 2HB ALA 20 2HB ALA 20 11.040 22.002 22.002
147 3HB ALA 20 1HB ALA 20 12.821 22.176 22.176
148 H GLU 21 H GLU 21 10.139 22.774 22.774
149 HA GLU 21 HA GLU 21 11.352 25.397 25.397
150 1HB GLU 21 2HB GLU 21 8.414 24.455 24.455
151 2HB GLU 21 1HB GLU 21 9.009 26.142 26.142
152 1HG GLU 21 2HG GLU 21 9.148 24.620 24.620
153 2HG GLU 21 1HG GLU 21 7.891 25.817 25.817
154 H ASN 22 H ASN 22 10.011 22.559 22.559
155 HA ASN 22 HA ASN 22 9.931 23.726 23.726
156 1HB ASN 22 2HB ASN 22 10.191 20.694 20.694
157 2HB ASN 22 1HB ASN 22 9.593 21.554 21.554
158 1HD2 ASN 22 2HD2 ASN 22 6.727 20.128 20.128
159 2HD2 ASN 22 1HD2 ASN 22 8.366 19.458 19.458
160 H ALA 23 H ALA 23 12.703 22.877 22.877
161 HA ALA 23 HA ALA 23 14.276 21.847 21.847
162 1HB ALA 23 2HB ALA 23 14.791 21.247 21.247
163 2HB ALA 23 1HB ALA 23 15.195 22.952 22.952
164 3HB ALA 23 3HB ALA 23 16.209 22.023 22.023
165 H SER 24 H SER 24 13.622 25.119 25.119
166 HA SER 24 HA SER 24 15.299 26.269 26.269
167 1HB SER 24 2HB SER 24 15.434 27.309 27.309
168 2HB SER 24 1HB SER 24 13.738 27.846 27.846
169 HG SER 24 HG SER 24 15.970 28.560 28.560
170 H LYS 25 H LYS 25 11.971 25.527 25.527
171 HA LYS 25 HA LYS 25 10.929 27.102 27.102
172 1HB LYS 25 2HB LYS 25 9.987 26.383 26.383
173 2HB LYS 25 1HB LYS 25 9.060 25.233 25.233
174 1HG LYS 25 2HG LYS 25 7.824 27.228 27.228
175 2HG LYS 25 1HG LYS 25 8.265 27.212 27.212
176 1HD LYS 25 2HD LYS 25 10.122 28.890 28.890
177 2HD LYS 25 1HD LYS 25 9.741 28.741 28.741
178 1HE LYS 25 2HE LYS 25 8.832 30.837 30.837
179 2HE LYS 25 1HE LYS 25 7.544 29.746 29.746
180 1HZ LYS 25 1HZ LYS 25 8.207 30.072 30.072
181 2HZ LYS 25 3HZ LYS 25 6.948 30.812 30.812
182 3HZ LYS 25 2HZ LYS 25 6.925 29.124 29.124
183 H GLU 26 H GLU 26 12.720 24.729 24.729
184 HA GLU 26 HA GLU 26 11.187 22.985 22.985
185 1HB GLU 26 2HB GLU 26 13.520 22.699 22.699
186 2HB GLU 26 1HB GLU 26 14.235 23.074 23.074
187 1HG GLU 26 2HG GLU 26 14.098 20.689 20.689
188 2HG GLU 26 1HG GLU 26 12.690 21.118 21.118
189 H ALA 27 H ALA 27 12.427 26.082 26.082
190 HA ALA 27 HA ALA 27 12.784 26.345 26.345
191 1HB ALA 27 2HB ALA 27 13.533 28.080 28.080
192 2HB ALA 27 1HB ALA 27 11.835 28.432 28.432
193 3HB ALA 27 3HB ALA 27 12.447 28.821 28.821
194 H GLU 28 H GLU 28 9.867 25.957 25.957
195 HA GLU 28 HA GLU 28 8.015 27.280 27.280
196 1HB GLU 28 2HB GLU 28 7.600 25.285 25.285
197 2HB GLU 28 1HB GLU 28 6.221 25.885 25.885
198 1HG GLU 28 2HG GLU 28 6.762 28.228 28.228
199 2HG GLU 28 1HG GLU 28 8.055 27.670 27.670
200 H GLU 29 H GLU 29 9.534 24.259 24.259
201 HA GLU 29 HA GLU 29 7.324 23.468 23.468
202 1HB GLU 29 2HB GLU 29 8.503 21.693 21.693
203 2HB GLU 29 1HB GLU 29 9.952 21.898 21.898
204 1HG GLU 29 2HG GLU 29 8.408 21.246 21.246
205 2HG GLU 29 1HG GLU 29 7.090 20.990 20.990
206 H ALA 30 H ALA 30 10.763 24.481 24.481
207 HA ALA 30 HA ALA 30 10.480 24.257 24.257
208 1HB ALA 30 3HB ALA 30 12.912 25.011 25.011
209 2HB ALA 30 2HB ALA 30 12.922 24.758 24.758
210 3HB ALA 30 1HB ALA 30 12.521 23.398 23.398
211 H ALA 31 H ALA 31 10.632 26.827 26.827
212 HA ALA 31 HA ALA 31 10.484 28.928 28.928
213 1HB ALA 31 3HB ALA 31 11.947 29.380 29.380
214 2HB ALA 31 2HB ALA 31 10.552 29.236 29.236
215 3HB ALA 31 1HB ALA 31 10.598 30.549 30.549
216 H LYS 32 H LYS 32 8.500 27.494 27.494
217 HA LYS 32 HA LYS 32 6.343 27.261 27.261
218 1HB LYS 32 2HB LYS 32 6.217 27.944 27.944
219 2HB LYS 32 1HB LYS 32 4.677 27.890 27.890
220 1HG LYS 32 2HG LYS 32 4.721 25.668 25.668
221 2HG LYS 32 1HG LYS 32 6.506 25.575 25.575
222 1HD LYS 32 2HD LYS 32 5.819 24.421 24.421
223 2HD LYS 32 1HD LYS 32 6.614 25.964 25.964
224 1HE LYS 32 2HE LYS 32 3.985 26.857 26.857
225 2HE LYS 32 1HE LYS 32 3.652 25.094 25.094
226 1HZ LYS 32 1HZ LYS 32 5.398 25.260 25.260
227 2HZ LYS 32 3HZ LYS 32 5.243 26.948 26.948
228 3HZ LYS 32 2HZ LYS 32 3.906 26.005 26.005
229 H GLU 33 H GLU 33 6.900 28.844 28.844
230 HA GLU 33 HA GLU 33 6.665 31.603 31.603
231 1HB GLU 33 2HB GLU 33 6.782 30.337 30.337
232 2HB GLU 33 1HB GLU 33 7.177 32.030 32.030
233 1HG GLU 33 2HG GLU 33 9.157 31.186 31.186
234 2HG GLU 33 1HG GLU 33 8.792 29.503 29.503
235 H ALA 34 H ALA 34 4.423 29.344 29.344
236 HA ALA 34 HA ALA 34 2.544 31.333 31.333
237 1HB ALA 34 1HB ALA 34 2.982 29.302 29.302
238 2HB ALA 34 3HB ALA 34 2.433 28.239 28.239
239 3HB ALA 34 2HB ALA 34 1.270 29.352 29.352
240 H VAL 35 H VAL 35 3.110 29.477 29.477
241 HA VAL 35 HA VAL 35 0.260 29.487 29.487
242 HB VAL 35 HB VAL 35 2.645 28.088 28.088
243 1HG1 VAL 35 3HG1 VAL 35 -0.412 27.774 27.774
244 2HG1 VAL 35 2HG1 VAL 35 0.861 26.660 26.660
245 3HG1 VAL 35 1HG1 VAL 35 0.789 28.347 28.347
246 1HG2 VAL 35 3HG2 VAL 35 0.499 27.082 27.082
247 2HG2 VAL 35 2HG2 VAL 35 2.259 27.253 27.253
248 3HG2 VAL 35 1HG2 VAL 35 1.702 26.048 26.048
249 H ASN 36 H ASN 36 3.307 31.034 31.034
250 HA ASN 36 HA ASN 36 2.518 32.151 32.151
251 1HB ASN 36 2HB ASN 36 4.788 31.266 31.266
252 2HB ASN 36 1HB ASN 36 5.082 32.168 32.168
253 1HD2 ASN 36 2HD2 ASN 36 6.944 34.426 34.426
254 2HD2 ASN 36 1HD2 ASN 36 7.148 32.703 32.703
255 H LEU 37 H LEU 37 4.044 33.731 33.731
256 HA LEU 37 HA LEU 37 3.220 35.219 35.219
257 1HB LEU 37 2HB LEU 37 0.889 34.969 34.969
258 2HB LEU 37 1HB LEU 37 1.141 36.274 36.274
259 HG LEU 37 HG LEU 37 1.749 36.938 36.938
260 1HD1 LEU 37 3HD1 LEU 37 -0.127 35.330 35.330
261 2HD1 LEU 37 2HD1 LEU 37 -1.133 36.237 36.237
262 3HD1 LEU 37 1HD1 LEU 37 -0.648 37.018 37.018
263 1HD2 LEU 37 1HD2 LEU 37 -0.083 38.295 38.295
264 2HD2 LEU 37 3HD2 LEU 37 1.601 38.783 38.783
265 3HD2 LEU 37 2HD2 LEU 37 0.288 38.940 38.940
266 H LYS 38 HN LYS 38 4.699 35.504 35.504
267 HA LYS 38 HA LYS 38 5.361 38.327 38.327
268 1HB LYS 38 2HB LYS 38 4.231 37.241 37.241
269 2HB LYS 38 1HB LYS 38 5.940 36.972 36.972
270 1HG LYS 38 2HG LYS 38 4.451 39.645 39.645
271 2HG LYS 38 1HG LYS 38 5.224 38.998 38.998
272 1HD LYS 38 2HD LYS 38 6.859 40.529 40.529
273 2HD LYS 38 1HD LYS 38 7.431 39.072 39.072
274 1HE LYS 38 2HE LYS 38 5.956 40.196 40.196
275 2HE LYS 38 1HE LYS 38 6.197 41.694 41.694
276 1HZ LYS 38 3HZ LYS 38 8.216 39.752 39.752
277 2HZ LYS 38 2HZ LYS 38 7.859 41.263 41.263
278 3HZ LYS 38 1HZ LYS 38 8.629 41.246 41.246
Start of MODEL 15
1 1H GLU 1 1H GLU 1 -1.347 10.144 10.144
2 2H GLU 1 3H GLU 1 -0.287 9.641 9.641
3 3H GLU 1 2H GLU 1 0.077 11.038 11.038
4 HA GLU 1 HA GLU 1 0.418 9.782 9.782
5 1HB GLU 1 2HB GLU 1 1.699 8.152 8.152
6 2HB GLU 1 1HB GLU 1 2.355 8.367 8.367
7 1HG GLU 1 2HG GLU 1 2.760 10.801 10.801
8 2HG GLU 1 1HG GLU 1 2.068 10.590 10.590
9 H ALA 2 H ALA 2 0.988 6.674 6.674
10 HA ALA 2 HA ALA 2 -1.620 5.669 5.669
11 1HB ALA 2 3HB ALA 2 -0.544 5.293 5.293
12 2HB ALA 2 2HB ALA 2 -1.956 4.432 4.432
13 3HB ALA 2 1HB ALA 2 -2.021 6.204 6.204
14 H TYR 3 H TYR 3 -0.019 5.104 5.104
15 HA TYR 3 HA TYR 3 0.775 3.443 3.443
16 1HB TYR 3 2HB TYR 3 -0.122 1.713 1.713
17 2HB TYR 3 1HB TYR 3 1.310 1.829 1.829
18 HD1 TYR 3 HD2 TYR 3 1.125 1.582 1.582
19 HD2 TYR 3 HD1 TYR 3 2.193 -0.273 -0.273
20 HE1 TYR 3 HE2 TYR 3 2.135 -0.288 -0.288
21 HE2 TYR 3 HE1 TYR 3 3.190 -2.157 -2.157
22 HH TYR 3 HH TYR 3 3.109 -2.421 -2.421
23 H LYS 4 H LYS 4 3.166 2.673 2.673
24 HA LYS 4 HA LYS 4 5.241 3.054 3.054
25 1HB LYS 4 2HB LYS 4 4.980 5.696 5.696
26 2HB LYS 4 1HB LYS 4 6.483 5.176 5.176
27 1HG LYS 4 2HG LYS 4 3.770 5.626 5.626
28 2HG LYS 4 1HG LYS 4 5.121 6.803 6.803
29 1HD LYS 4 2HD LYS 4 6.631 5.197 5.197
30 2HD LYS 4 1HD LYS 4 5.224 4.101 4.101
31 1HE LYS 4 2HE LYS 4 4.048 5.989 5.989
32 2HE LYS 4 1HE LYS 4 5.543 6.996 6.996
33 1HZ LYS 4 1HZ LYS 4 6.745 5.260 5.260
34 2HZ LYS 4 3HZ LYS 4 5.309 4.360 4.360
35 3HZ LYS 4 2HZ LYS 4 5.432 5.861 5.861
36 H LYS 5 H LYS 5 5.516 4.513 4.513
37 HA LYS 5 HA LYS 5 6.636 2.067 2.067
38 1HB LYS 5 2HB LYS 5 8.237 4.718 4.718
39 2HB LYS 5 1HB LYS 5 8.640 3.251 3.251
40 1HG LYS 5 2HG LYS 5 9.006 1.965 1.965
41 2HG LYS 5 1HG LYS 5 8.579 3.423 3.423
42 1HD LYS 5 2HD LYS 5 10.897 3.275 3.275
43 2HD LYS 5 1HD LYS 5 10.488 4.679 4.679
44 1HE LYS 5 2HE LYS 5 11.065 3.304 3.304
45 2HE LYS 5 1HE LYS 5 11.336 1.853 1.853
46 1HZ LYS 5 3HZ LYS 5 13.143 3.024 3.024
47 2HZ LYS 5 2HZ LYS 5 12.937 4.378 4.378
48 3HZ LYS 5 1HZ LYS 5 13.379 2.885 2.885
49 H ALA 6 H ALA 6 4.168 2.921 2.921
50 HA ALA 6 HA ALA 6 4.003 4.762 4.762
51 1HB ALA 6 3HB ALA 6 1.849 3.209 3.209
52 2HB ALA 6 2HB ALA 6 1.513 4.365 4.365
53 3HB ALA 6 1HB ALA 6 2.284 4.943 4.943
54 H LYS 7 H LYS 7 4.531 3.988 3.988
55 HA LYS 7 HA LYS 7 4.435 1.130 1.130
56 1HB LYS 7 2HB LYS 7 6.134 1.520 1.520
57 2HB LYS 7 1HB LYS 7 6.661 2.290 2.290
58 1HG LYS 7 2HG LYS 7 5.373 3.896 3.896
59 2HG LYS 7 1HG LYS 7 7.074 3.446 3.446
60 1HD LYS 7 2HD LYS 7 5.874 5.098 5.098
61 2HD LYS 7 1HD LYS 7 6.330 5.766 5.766
62 1HE LYS 7 2HE LYS 7 8.661 4.718 4.718
63 2HE LYS 7 1HE LYS 7 8.242 4.396 4.396
64 1HZ LYS 7 2HZ LYS 7 8.137 7.034 7.034
65 2HZ LYS 7 1HZ LYS 7 9.440 6.512 6.512
66 3HZ LYS 7 3HZ LYS 7 7.901 6.738 6.738
67 H GLN 8 H GLN 8 2.306 3.732 3.732
68 HA GLN 8 HA GLN 8 1.295 2.952 2.952
69 1HB GLN 8 2HB GLN 8 3.756 3.834 3.834
70 2HB GLN 8 1HB GLN 8 3.212 5.434 5.434
71 1HG GLN 8 2HG GLN 8 2.529 5.715 5.715
72 2HG GLN 8 1HG GLN 8 1.197 4.517 4.517
73 1HE2 GLN 8 2HE2 GLN 8 4.655 3.435 3.435
74 2HE2 GLN 8 1HE2 GLN 8 4.578 4.987 4.987
75 H ALA 9 H ALA 9 0.354 5.626 5.626
76 HA ALA 9 HA ALA 9 -0.435 6.669 6.669
77 1HB ALA 9 3HB ALA 9 -2.341 6.115 6.115
78 2HB ALA 9 2HB ALA 9 -1.689 7.242 7.242
79 3HB ALA 9 1HB ALA 9 -2.283 7.858 7.858
80 H SER 10 H SER 10 -0.935 9.276 9.276
81 HA SER 10 HA SER 10 1.815 10.248 10.248
82 1HB SER 10 2HB SER 10 -0.778 11.786 11.786
83 2HB SER 10 1HB SER 10 0.918 12.304 12.304
84 HG SER 10 HG SER 10 0.010 11.406 11.406
85 H GLN 11 H GLN 11 0.978 9.371 9.371
86 HA GLN 11 HA GLN 11 0.473 11.545 11.545
87 1HB GLN 11 2HB GLN 11 0.726 9.598 9.598
88 2HB GLN 11 1HB GLN 11 -0.568 9.392 9.392
89 1HG GLN 11 2HG GLN 11 0.630 7.775 7.775
90 2HG GLN 11 1HG GLN 11 2.174 8.014 8.014
91 1HE2 GLN 11 2HE2 GLN 11 1.049 6.163 6.163
92 2HE2 GLN 11 1HE2 GLN 11 1.974 7.586 7.586
93 H ASP 12 H ASP 12 3.082 9.524 9.524
94 HA ASP 12 HA ASP 12 5.101 10.389 10.389
95 1HB ASP 12 2HB ASP 12 5.076 8.419 8.419
96 2HB ASP 12 1HB ASP 12 6.565 8.771 8.771
97 H ALA 13 H ALA 13 3.692 11.810 11.810
98 HA ALA 13 HA ALA 13 6.080 13.370 13.370
99 1HB ALA 13 1HB ALA 13 5.030 12.245 12.245
100 2HB ALA 13 3HB ALA 13 3.474 13.084 13.084
101 3HB ALA 13 2HB ALA 13 4.947 14.033 14.033
102 H GLU 14 H GLU 14 3.215 13.240 13.240
103 HA GLU 14 HA GLU 14 2.861 16.167 16.167
104 1HB GLU 14 2HB GLU 14 1.312 13.953 13.953
105 2HB GLU 14 1HB GLU 14 1.093 15.699 15.699
106 1HG GLU 14 2HG GLU 14 0.310 16.206 16.206
107 2HG GLU 14 1HG GLU 14 0.474 14.470 14.470
108 H GLN 15 H GLN 15 3.964 13.419 13.419
109 HA GLN 15 HA GLN 15 4.483 14.972 14.972
110 1HB GLN 15 2HB GLN 15 3.922 12.472 12.472
111 2HB GLN 15 1HB GLN 15 5.641 12.180 12.180
112 1HG GLN 15 2HG GLN 15 4.527 13.565 13.565
113 2HG GLN 15 1HG GLN 15 4.881 11.793 11.793
114 1HE2 GLN 15 2HE2 GLN 15 7.754 14.315 14.315
115 2HE2 GLN 15 1HE2 GLN 15 6.186 13.980 13.980
116 H ALA 16 H ALA 16 6.589 13.591 13.591
117 HA ALA 16 HA ALA 16 9.005 14.796 14.796
118 1HB ALA 16 2HB ALA 16 8.439 13.201 13.201
119 2HB ALA 16 1HB ALA 16 10.078 13.672 13.672
120 3HB ALA 16 3HB ALA 16 9.056 12.555 12.555
121 H ALA 17 H ALA 17 6.467 16.154 16.154
122 HA ALA 17 HA ALA 17 7.944 18.282 18.282
123 1HB ALA 17 1HB ALA 17 4.896 17.857 17.857
124 2HB ALA 17 3HB ALA 17 5.691 19.295 19.295
125 3HB ALA 17 2HB ALA 17 5.926 17.668 17.668
126 H LYS 18 H LYS 18 6.595 17.327 17.327
127 HA LYS 18 HA LYS 18 5.774 19.998 19.998
128 1HB LYS 18 2HB LYS 18 4.453 17.914 17.914
129 2HB LYS 18 1HB LYS 18 5.783 17.369 17.369
130 1HG LYS 18 2HG LYS 18 5.390 19.541 19.541
131 2HG LYS 18 1HG LYS 18 3.890 19.768 19.768
132 1HD LYS 18 2HD LYS 18 3.082 17.556 17.556
133 2HD LYS 18 1HD LYS 18 4.673 17.246 17.246
134 1HE LYS 18 2HE LYS 18 4.287 19.115 19.115
135 2HE LYS 18 1HE LYS 18 2.698 19.487 19.487
136 1HZ LYS 18 3HZ LYS 18 2.035 17.185 17.185
137 2HZ LYS 18 2HZ LYS 18 3.456 16.975 16.975
138 3HZ LYS 18 1HZ LYS 18 2.309 18.140 18.140
139 H ASP 19 H ASP 19 8.423 17.753 17.753
140 HA ASP 19 HA ASP 19 9.444 19.242 19.242
141 1HB ASP 19 2HB ASP 19 10.485 16.635 16.635
142 2HB ASP 19 1HB ASP 19 11.121 17.429 17.429
143 H ALA 20 H ALA 20 9.453 20.272 20.272
144 HA ALA 20 HA ALA 20 12.178 21.312 21.312
145 1HB ALA 20 3HB ALA 20 9.655 21.972 21.972
146 2HB ALA 20 2HB ALA 20 11.303 22.661 22.661
147 3HB ALA 20 1HB ALA 20 11.007 20.909 20.909
148 H GLU 21 H GLU 21 8.766 22.279 22.279
149 HA GLU 21 HA GLU 21 9.532 25.027 25.027
150 1HB GLU 21 2HB GLU 21 6.763 23.662 23.662
151 2HB GLU 21 1HB GLU 21 7.037 25.433 25.433
152 1HG GLU 21 2HG GLU 21 8.020 25.613 25.613
153 2HG GLU 21 1HG GLU 21 7.917 23.825 23.825
154 H ASN 22 H ASN 22 8.210 22.107 22.107
155 HA ASN 22 HA ASN 22 7.493 22.897 22.897
156 1HB ASN 22 2HB ASN 22 6.531 21.041 21.041
157 2HB ASN 22 1HB ASN 22 8.102 20.174 20.174
158 1HD2 ASN 22 2HD2 ASN 22 7.309 18.465 18.465
159 2HD2 ASN 22 1HD2 ASN 22 7.991 18.332 18.332
160 H ALA 23 H ALA 23 10.558 22.166 22.166
161 HA ALA 23 HA ALA 23 11.963 21.248 21.248
162 1HB ALA 23 3HB ALA 23 12.998 22.243 22.243
163 2HB ALA 23 2HB ALA 23 14.010 21.410 21.410
164 3HB ALA 23 1HB ALA 23 12.652 20.549 20.549
165 H SER 24 H SER 24 11.332 24.443 24.443
166 HA SER 24 HA SER 24 13.149 25.790 25.790
167 1HB SER 24 2HB SER 24 11.275 26.921 26.921
168 2HB SER 24 1HB SER 24 12.371 27.911 27.911
169 HG SER 24 HG SER 24 14.117 26.839 26.839
170 H LYS 25 H LYS 25 9.805 24.789 24.789
171 HA LYS 25 HA LYS 25 8.730 26.661 26.661
172 1HB LYS 25 2HB LYS 25 7.525 25.433 25.433
173 2HB LYS 25 1HB LYS 25 7.383 24.034 24.034
174 1HG LYS 25 2HG LYS 25 5.314 25.217 25.217
175 2HG LYS 25 1HG LYS 25 6.154 25.595 25.595
176 1HD LYS 25 2HD LYS 25 7.053 27.690 27.690
177 2HD LYS 25 1HD LYS 25 5.860 27.376 27.376
178 1HE LYS 25 2HE LYS 25 3.977 27.768 27.768
179 2HE LYS 25 1HE LYS 25 5.183 27.748 27.748
180 1HZ LYS 25 1HZ LYS 25 6.289 29.644 29.644
181 2HZ LYS 25 3HZ LYS 25 4.901 29.914 29.914
182 3HZ LYS 25 2HZ LYS 25 4.858 30.010 30.010
183 H GLU 26 H GLU 26 9.944 23.330 23.330
184 HA GLU 26 HA GLU 26 9.591 22.580 22.580
185 1HB GLU 26 2HB GLU 26 10.594 21.336 21.336
186 2HB GLU 26 1HB GLU 26 12.153 22.097 22.097
187 1HG GLU 26 2HG GLU 26 12.165 19.841 19.841
188 2HG GLU 26 1HG GLU 26 12.062 20.860 20.860
189 H ALA 27 H ALA 27 12.079 24.732 24.732
190 HA ALA 27 HA ALA 27 13.478 25.030 25.030
191 1HB ALA 27 1HB ALA 27 14.799 24.721 24.721
192 2HB ALA 27 3HB ALA 27 14.140 26.242 26.242
193 3HB ALA 27 2HB ALA 27 15.182 26.296 26.296
194 H GLU 28 H GLU 28 10.632 26.375 26.375
195 HA GLU 28 HA GLU 28 11.280 29.161 29.161
196 1HB GLU 28 2HB GLU 28 9.764 28.598 28.598
197 2HB GLU 28 1HB GLU 28 8.575 27.902 27.902
198 1HG GLU 28 2HG GLU 28 8.190 30.170 30.170
199 2HG GLU 28 1HG GLU 28 9.468 30.880 30.880
200 H GLU 29 H GLU 29 10.111 26.426 26.426
201 HA GLU 29 HA GLU 29 8.965 28.071 28.071
202 1HB GLU 29 2HB GLU 29 7.927 25.891 25.891
203 2HB GLU 29 1HB GLU 29 9.314 25.002 25.002
204 1HG GLU 29 2HG GLU 29 7.437 24.850 24.850
205 2HG GLU 29 1HG GLU 29 8.635 25.927 25.927
206 H ALA 30 H ALA 30 11.837 26.060 26.060
207 HA ALA 30 HA ALA 30 13.032 26.168 26.168
208 1HB ALA 30 1HB ALA 30 14.294 25.587 25.587
209 2HB ALA 30 3HB ALA 30 15.080 25.262 25.262
210 3HB ALA 30 2HB ALA 30 13.584 24.396 24.396
211 H ALA 31 H ALA 31 12.717 28.494 28.494
212 HA ALA 31 HA ALA 31 14.967 30.210 30.210
213 1HB ALA 31 2HB ALA 31 14.097 30.167 30.167
214 2HB ALA 31 1HB ALA 31 12.491 30.746 30.746
215 3HB ALA 31 3HB ALA 31 13.954 31.806 31.806
216 H LYS 32 H LYS 32 12.225 29.398 29.398
217 HA LYS 32 HA LYS 32 12.084 31.988 31.988
218 1HB LYS 32 2HB LYS 32 9.692 30.143 30.143
219 2HB LYS 32 1HB LYS 32 9.520 31.637 31.637
220 1HG LYS 32 2HG LYS 32 10.432 31.604 31.604
221 2HG LYS 32 1HG LYS 32 8.737 31.693 31.693
222 1HD LYS 32 2HD LYS 32 9.226 33.791 33.791
223 2HD LYS 32 1HD LYS 32 10.927 33.744 33.744
224 1HE LYS 32 2HE LYS 32 10.086 33.912 33.912
225 2HE LYS 32 1HE LYS 32 8.380 33.866 33.866
226 1HZ LYS 32 1HZ LYS 32 8.782 35.949 35.949
227 2HZ LYS 32 3HZ LYS 32 10.368 36.015 36.015
228 3HZ LYS 32 2HZ LYS 32 9.055 36.065 36.065
229 H GLU 33 H GLU 33 11.520 28.374 28.374
230 HA GLU 33 HA GLU 33 10.593 28.239 28.239
231 1HB GLU 33 2HB GLU 33 12.641 26.236 26.236
232 2HB GLU 33 1HB GLU 33 11.649 25.926 25.926
233 1HG GLU 33 2HG GLU 33 9.568 25.923 25.923
234 2HG GLU 33 1HG GLU 33 10.582 26.078 26.078
235 H ALA 34 H ALA 34 13.887 28.430 28.430
236 HA ALA 34 HA ALA 34 14.998 28.640 28.640
237 1HB ALA 34 3HB ALA 34 16.226 27.121 27.121
238 2HB ALA 34 2HB ALA 34 16.524 28.429 28.429
239 3HB ALA 34 1HB ALA 34 17.252 28.510 28.510
240 H VAL 35 H VAL 35 15.988 30.300 30.300
241 HA VAL 35 HA VAL 35 14.957 32.812 32.812
242 HB VAL 35 HB VAL 35 17.257 34.084 34.084
243 1HG1 VAL 35 1HG1 VAL 35 15.331 34.374 34.374
244 2HG1 VAL 35 3HG1 VAL 35 15.994 33.077 33.077
245 3HG1 VAL 35 2HG1 VAL 35 16.946 34.564 34.564
246 1HG2 VAL 35 2HG2 VAL 35 18.709 32.026 32.026
247 2HG2 VAL 35 1HG2 VAL 35 18.881 33.021 33.021
248 3HG2 VAL 35 3HG2 VAL 35 17.910 31.501 31.501
249 H ASN 36 H ASN 36 17.585 30.728 30.728
250 HA ASN 36 HA ASN 36 17.371 32.176 32.176
251 1HB ASN 36 2HB ASN 36 19.274 33.312 33.312
252 2HB ASN 36 1HB ASN 36 19.925 31.777 31.777
253 1HD2 ASN 36 2HD2 ASN 36 20.438 32.163 32.163
254 2HD2 ASN 36 1HD2 ASN 36 19.092 33.053 33.053
255 H LEU 37 H LEU 37 19.724 29.700 29.700
256 HA LEU 37 HA LEU 37 20.068 27.641 27.641
257 1HB LEU 37 2HB LEU 37 17.246 27.661 27.661
258 2HB LEU 37 1HB LEU 37 17.439 26.524 26.524
259 HG LEU 37 HG LEU 37 18.827 26.448 26.448
260 1HD1 LEU 37 2HD1 LEU 37 16.346 25.995 25.995
261 2HD1 LEU 37 1HD1 LEU 37 16.637 24.651 24.651
262 3HD1 LEU 37 3HD1 LEU 37 17.295 24.550 24.550
263 1HD2 LEU 37 1HD2 LEU 37 19.019 24.447 24.447
264 2HD2 LEU 37 3HD2 LEU 37 20.375 25.418 25.418
265 3HD2 LEU 37 2HD2 LEU 37 19.618 24.126 24.126
266 H LYS 38 HN LYS 38 20.376 29.671 29.671
267 HA LYS 38 HA LYS 38 20.149 28.027 28.027
268 1HB LYS 38 2HB LYS 38 17.767 29.030 29.030
269 2HB LYS 38 1HB LYS 38 18.555 30.638 30.638
270 1HG LYS 38 2HG LYS 38 19.517 29.848 29.848
271 2HG LYS 38 1HG LYS 38 18.195 28.631 28.631
272 1HD LYS 38 2HD LYS 38 16.570 30.552 30.552
273 2HD LYS 38 1HD LYS 38 17.979 31.679 31.679
274 1HE LYS 38 2HE LYS 38 18.424 30.794 30.794
275 2HE LYS 38 1HE LYS 38 16.858 29.884 29.884
276 1HZ LYS 38 2HZ LYS 38 15.859 32.105 32.105
277 2HZ LYS 38 1HZ LYS 38 17.337 32.805 32.805
278 3HZ LYS 38 3HZ LYS 38 16.441 31.949 31.949
Start of MODEL 16
1 1H GLU 1 2H GLU 1 0.237 1.781 1.781
2 2H GLU 1 1H GLU 1 -0.409 0.542 0.542
3 3H GLU 1 3H GLU 1 -0.593 0.461 0.461
4 HA GLU 1 HA GLU 1 1.652 0.176 0.176
5 1HB GLU 1 2HB GLU 1 0.968 -1.808 -1.808
6 2HB GLU 1 1HB GLU 1 1.918 -2.106 -2.106
7 1HG GLU 1 2HG GLU 1 -1.110 -1.924 -1.924
8 2HG GLU 1 1HG GLU 1 -0.142 -3.203 -3.203
9 H ALA 2 H ALA 2 3.723 -0.918 -0.918
10 HA ALA 2 HA ALA 2 4.011 0.627 0.627
11 1HB ALA 2 1HB ALA 2 6.314 0.332 0.332
12 2HB ALA 2 3HB ALA 2 6.431 1.012 1.012
13 3HB ALA 2 2HB ALA 2 5.479 1.869 1.869
14 H TYR 3 H TYR 3 4.985 -0.641 -0.641
15 HA TYR 3 HA TYR 3 5.732 -3.382 -3.382
16 1HB TYR 3 2HB TYR 3 3.274 -3.677 -3.677
17 2HB TYR 3 1HB TYR 3 3.145 -2.527 -2.527
18 HD1 TYR 3 HD2 TYR 3 4.990 -5.799 -5.799
19 HD2 TYR 3 HD1 TYR 3 2.714 -3.491 -3.491
20 HE1 TYR 3 HE2 TYR 3 4.936 -7.726 -7.726
21 HE2 TYR 3 HE1 TYR 3 2.664 -5.416 -5.416
22 HH TYR 3 HH TYR 3 4.276 -8.499 -8.499
23 H LYS 4 H LYS 4 4.495 -2.049 -2.049
24 HA LYS 4 HA LYS 4 6.718 -0.428 -0.428
25 1HB LYS 4 2HB LYS 4 6.935 -3.323 -3.323
26 2HB LYS 4 1HB LYS 4 6.855 -2.494 -2.494
27 1HG LYS 4 2HG LYS 4 8.798 -1.237 -1.237
28 2HG LYS 4 1HG LYS 4 8.773 -1.490 -1.490
29 1HD LYS 4 2HD LYS 4 9.346 -3.820 -3.820
30 2HD LYS 4 1HD LYS 4 9.198 -3.783 -3.783
31 1HE LYS 4 2HE LYS 4 11.139 -2.249 -2.249
32 2HE LYS 4 1HE LYS 4 11.286 -2.137 -2.137
33 1HZ LYS 4 3HZ LYS 4 11.532 -4.724 -4.724
34 2HZ LYS 4 2HZ LYS 4 12.836 -3.695 -3.695
35 3HZ LYS 4 1HZ LYS 4 11.966 -4.370 -4.370
36 H LYS 5 H LYS 5 6.036 0.890 0.890
37 HA LYS 5 HA LYS 5 4.166 -0.043 -0.043
38 1HB LYS 5 2HB LYS 5 3.362 2.289 2.289
39 2HB LYS 5 1HB LYS 5 3.000 2.404 2.404
40 1HG LYS 5 2HG LYS 5 1.006 1.661 1.661
41 2HG LYS 5 1HG LYS 5 1.804 0.129 0.129
42 1HD LYS 5 2HD LYS 5 2.403 0.289 0.289
43 2HD LYS 5 1HD LYS 5 0.826 1.110 1.110
44 1HE LYS 5 2HE LYS 5 1.473 -1.746 -1.746
45 2HE LYS 5 1HE LYS 5 0.731 -1.398 -1.398
46 1HZ LYS 5 3HZ LYS 5 -0.458 -0.700 -0.700
47 2HZ LYS 5 2HZ LYS 5 -0.867 -2.079 -2.079
48 3HZ LYS 5 1HZ LYS 5 -1.228 -0.537 -0.537
49 H ALA 6 H ALA 6 4.793 1.270 1.270
50 HA ALA 6 HA ALA 6 7.269 2.776 2.776
51 1HB ALA 6 3HB ALA 6 7.149 0.993 0.993
52 2HB ALA 6 2HB ALA 6 5.790 1.843 1.843
53 3HB ALA 6 1HB ALA 6 7.453 2.585 2.585
54 H LYS 7 H LYS 7 6.472 4.068 4.068
55 HA LYS 7 HA LYS 7 4.783 6.297 6.297
56 1HB LYS 7 2HB LYS 7 6.780 6.181 6.181
57 2HB LYS 7 1HB LYS 7 5.690 7.540 7.540
58 1HG LYS 7 2HG LYS 7 7.672 8.277 8.277
59 2HG LYS 7 1HG LYS 7 6.868 7.591 7.591
60 1HD LYS 7 2HD LYS 7 8.390 5.488 5.488
61 2HD LYS 7 1HD LYS 7 9.199 6.449 6.449
62 1HE LYS 7 2HE LYS 7 9.572 8.286 8.286
63 2HE LYS 7 1HE LYS 7 8.973 7.109 7.109
64 1HZ LYS 7 1HZ LYS 7 11.364 6.803 6.803
65 2HZ LYS 7 3HZ LYS 7 11.302 7.240 7.240
66 3HZ LYS 7 2HZ LYS 7 10.839 5.682 5.682
67 H GLN 8 H GLN 8 2.749 6.194 6.194
68 HA GLN 8 HA GLN 8 2.129 4.474 4.474
69 1HB GLN 8 2HB GLN 8 2.213 2.968 2.968
70 2HB GLN 8 1HB GLN 8 0.995 3.988 3.988
71 1HG GLN 8 2HG GLN 8 -0.222 2.142 2.142
72 2HG GLN 8 1HG GLN 8 -0.570 3.362 3.362
73 1HE2 GLN 8 2HE2 GLN 8 0.785 1.040 1.040
74 2HE2 GLN 8 1HE2 GLN 8 -0.286 2.368 2.368
75 H ALA 9 H ALA 9 0.533 6.157 6.157
76 HA ALA 9 HA ALA 9 -1.027 7.759 7.759
77 1HB ALA 9 2HB ALA 9 -2.394 6.556 6.556
78 2HB ALA 9 1HB ALA 9 -1.565 7.453 7.453
79 3HB ALA 9 3HB ALA 9 -2.597 8.324 8.324
80 H SER 10 H SER 10 -1.287 9.806 9.806
81 HA SER 10 HA SER 10 1.284 11.150 11.150
82 1HB SER 10 2HB SER 10 -1.572 12.129 12.129
83 2HB SER 10 1HB SER 10 -0.344 13.261 13.261
84 HG SER 10 HG SER 10 -0.826 13.344 13.344
85 H GLN 11 H GLN 11 0.800 9.278 9.278
86 HA GLN 11 HA GLN 11 0.765 11.086 11.086
87 1HB GLN 11 2HB GLN 11 0.583 9.226 9.226
88 2HB GLN 11 1HB GLN 11 -0.458 9.051 9.051
89 1HG GLN 11 2HG GLN 11 0.255 6.918 6.918
90 2HG GLN 11 1HG GLN 11 1.444 7.571 7.571
91 1HE2 GLN 11 2HE2 GLN 11 4.089 6.392 6.392
92 2HE2 GLN 11 1HE2 GLN 11 3.455 6.458 6.458
93 H ASP 12 H ASP 12 3.274 10.084 10.084
94 HA ASP 12 HA ASP 12 5.361 10.466 10.466
95 1HB ASP 12 2HB ASP 12 5.298 8.609 8.609
96 2HB ASP 12 1HB ASP 12 5.957 9.896 9.896
97 H ALA 13 H ALA 13 3.701 11.883 11.883
98 HA ALA 13 HA ALA 13 5.607 13.898 13.898
99 1HB ALA 13 2HB ALA 13 2.725 13.295 13.295
100 2HB ALA 13 1HB ALA 13 3.857 14.471 14.471
101 3HB ALA 13 3HB ALA 13 4.248 12.728 12.728
102 H GLU 14 H GLU 14 2.636 13.642 13.642
103 HA GLU 14 HA GLU 14 2.484 16.535 16.535
104 1HB GLU 14 2HB GLU 14 0.423 16.153 16.153
105 2HB GLU 14 1HB GLU 14 0.443 15.220 15.220
106 1HG GLU 14 2HG GLU 14 -0.138 13.335 13.335
107 2HG GLU 14 1HG GLU 14 1.404 13.316 13.316
108 H GLN 15 H GLN 15 4.100 13.831 13.831
109 HA GLN 15 HA GLN 15 4.371 14.783 14.783
110 1HB GLN 15 2HB GLN 15 4.399 12.260 12.260
111 2HB GLN 15 1HB GLN 15 6.102 12.419 12.419
112 1HG GLN 15 2HG GLN 15 3.606 12.739 12.739
113 2HG GLN 15 1HG GLN 15 4.737 11.323 11.323
114 1HE2 GLN 15 2HE2 GLN 15 7.314 13.370 13.370
115 2HE2 GLN 15 1HE2 GLN 15 7.249 12.254 12.254
116 H ALA 16 H ALA 16 6.346 14.398 14.398
117 HA ALA 16 HA ALA 16 8.811 15.052 15.052
118 1HB ALA 16 3HB ALA 16 8.429 13.972 13.972
119 2HB ALA 16 2HB ALA 16 7.845 15.530 15.530
120 3HB ALA 16 1HB ALA 16 9.562 15.355 15.355
121 H ALA 17 H ALA 17 6.212 17.159 17.159
122 HA ALA 17 HA ALA 17 7.741 19.626 19.626
123 1HB ALA 17 2HB ALA 17 5.831 19.520 19.520
124 2HB ALA 17 1HB ALA 17 4.691 19.250 19.250
125 3HB ALA 17 3HB ALA 17 5.606 20.801 20.801
126 H LYS 18 H LYS 18 6.285 17.353 17.353
127 HA LYS 18 HA LYS 18 5.660 19.381 19.381
128 1HB LYS 18 2HB LYS 18 5.455 16.319 16.319
129 2HB LYS 18 1HB LYS 18 5.170 17.337 17.337
130 1HG LYS 18 2HG LYS 18 3.349 18.524 18.524
131 2HG LYS 18 1HG LYS 18 3.683 17.779 17.779
132 1HD LYS 18 2HD LYS 18 3.015 15.525 15.525
133 2HD LYS 18 1HD LYS 18 2.837 16.190 16.190
134 1HE LYS 18 2HE LYS 18 0.577 16.004 16.004
135 2HE LYS 18 1HE LYS 18 1.014 17.756 17.756
136 1HZ LYS 18 3HZ LYS 18 1.863 16.948 16.948
137 2HZ LYS 18 2HZ LYS 18 0.402 16.071 16.071
138 3HZ LYS 18 1HZ LYS 18 0.393 17.745 17.745
139 H ASP 19 H ASP 19 8.226 17.095 17.095
140 HA ASP 19 HA ASP 19 9.813 17.775 17.775
141 1HB ASP 19 2HB ASP 19 9.613 15.491 15.491
142 2HB ASP 19 1HB ASP 19 11.020 16.152 16.152
143 H ALA 20 H ALA 20 9.064 19.472 19.472
144 HA ALA 20 HA ALA 20 11.559 21.008 21.008
145 1HB ALA 20 1HB ALA 20 10.333 20.670 20.670
146 2HB ALA 20 3HB ALA 20 8.915 21.568 21.568
147 3HB ALA 20 2HB ALA 20 10.496 22.403 22.403
148 H GLU 21 H GLU 21 8.184 21.109 21.109
149 HA GLU 21 HA GLU 21 8.471 23.845 23.845
150 1HB GLU 21 2HB GLU 21 6.200 23.955 23.955
151 2HB GLU 21 1HB GLU 21 6.312 22.879 22.879
152 1HG GLU 21 2HG GLU 21 6.060 20.884 20.884
153 2HG GLU 21 1HG GLU 21 5.650 22.096 22.096
154 H ASN 22 H ASN 22 8.090 20.597 20.597
155 HA ASN 22 HA ASN 22 8.280 21.283 21.283
156 1HB ASN 22 2HB ASN 22 9.085 18.651 18.651
157 2HB ASN 22 1HB ASN 22 8.896 18.789 18.789
158 1HD2 ASN 22 2HD2 ASN 22 5.805 17.305 17.305
159 2HD2 ASN 22 1HD2 ASN 22 7.477 17.049 17.049
160 H ALA 23 H ALA 23 10.686 21.484 21.484
161 HA ALA 23 HA ALA 23 12.958 20.753 20.753
162 1HB ALA 23 2HB ALA 23 12.946 20.678 20.678
163 2HB ALA 23 1HB ALA 23 12.853 22.467 22.467
164 3HB ALA 23 3HB ALA 23 14.308 21.653 21.653
165 H SER 24 H SER 24 11.114 23.774 23.774
166 HA SER 24 HA SER 24 13.067 25.341 25.341
167 1HB SER 24 2HB SER 24 12.035 26.191 26.191
168 2HB SER 24 1HB SER 24 10.413 26.201 26.201
169 HG SER 24 HG SER 24 10.948 27.911 27.911
170 H LYS 25 H LYS 25 10.224 23.583 23.583
171 HA LYS 25 HA LYS 25 8.947 25.272 25.272
172 1HB LYS 25 2HB LYS 25 8.821 22.285 22.285
173 2HB LYS 25 1HB LYS 25 7.676 23.012 23.012
174 1HG LYS 25 2HG LYS 25 7.917 23.814 23.814
175 2HG LYS 25 1HG LYS 25 6.737 22.667 22.667
176 1HD LYS 25 2HD LYS 25 5.848 24.590 24.590
177 2HD LYS 25 1HD LYS 25 6.928 25.696 25.696
178 1HE LYS 25 2HE LYS 25 5.850 24.906 24.906
179 2HE LYS 25 1HE LYS 25 4.736 23.840 23.840
180 1HZ LYS 25 3HZ LYS 25 3.969 25.959 25.959
181 2HZ LYS 25 2HZ LYS 25 4.859 26.778 26.778
182 3HZ LYS 25 1HZ LYS 25 3.559 25.781 25.781
183 H GLU 26 H GLU 26 11.507 22.998 22.998
184 HA GLU 26 HA GLU 26 11.489 22.942 22.942
185 1HB GLU 26 2HB GLU 26 12.201 20.919 20.919
186 2HB GLU 26 1HB GLU 26 13.358 21.739 21.739
187 1HG GLU 26 2HG GLU 26 14.959 22.067 22.067
188 2HG GLU 26 1HG GLU 26 13.744 21.857 21.857
189 H ALA 27 H ALA 27 12.807 25.143 25.143
190 HA ALA 27 HA ALA 27 14.843 26.200 26.200
191 1HB ALA 27 2HB ALA 27 15.509 25.846 25.846
192 2HB ALA 27 1HB ALA 27 14.189 26.918 26.918
193 3HB ALA 27 3HB ALA 27 15.546 27.602 27.602
194 H GLU 28 H GLU 28 11.800 27.131 27.131
195 HA GLU 28 HA GLU 28 11.533 29.676 29.676
196 1HB GLU 28 2HB GLU 28 9.610 27.912 27.912
197 2HB GLU 28 1HB GLU 28 9.092 29.507 29.507
198 1HG GLU 28 2HG GLU 28 10.545 30.779 30.779
199 2HG GLU 28 1HG GLU 28 11.516 29.339 29.339
200 H GLU 29 H GLU 29 11.264 26.702 26.702
201 HA GLU 29 HA GLU 29 9.048 27.190 27.190
202 1HB GLU 29 2HB GLU 29 9.422 24.919 24.919
203 2HB GLU 29 1HB GLU 29 11.117 24.931 24.931
204 1HG GLU 29 2HG GLU 29 9.062 25.464 25.464
205 2HG GLU 29 1HG GLU 29 8.904 23.880 23.880
206 H ALA 30 H ALA 30 12.613 27.461 27.461
207 HA ALA 30 HA ALA 30 12.761 27.954 27.954
208 1HB ALA 30 3HB ALA 30 14.566 26.829 26.829
209 2HB ALA 30 2HB ALA 30 14.873 28.290 28.290
210 3HB ALA 30 1HB ALA 30 15.200 28.315 28.315
211 H ALA 31 H ALA 31 12.082 29.813 29.813
212 HA ALA 31 HA ALA 31 12.579 32.474 32.474
213 1HB ALA 31 3HB ALA 31 12.680 32.019 32.019
214 2HB ALA 31 2HB ALA 31 10.958 31.559 31.559
215 3HB ALA 31 1HB ALA 31 11.444 33.260 33.260
216 H LYS 32 H LYS 32 10.100 30.024 30.024
217 HA LYS 32 HA LYS 32 8.009 31.943 31.943
218 1HB LYS 32 2HB LYS 32 7.620 29.643 29.643
219 2HB LYS 32 1HB LYS 32 8.018 28.895 28.895
220 1HG LYS 32 2HG LYS 32 6.073 30.403 30.403
221 2HG LYS 32 1HG LYS 32 5.631 30.698 30.698
222 1HD LYS 32 2HD LYS 32 5.817 28.035 28.035
223 2HD LYS 32 1HD LYS 32 4.322 28.934 28.934
224 1HE LYS 32 2HE LYS 32 4.869 28.583 28.583
225 2HE LYS 32 1HE LYS 32 6.281 27.552 27.552
226 1HZ LYS 32 1HZ LYS 32 3.454 27.065 27.065
227 2HZ LYS 32 3HZ LYS 32 4.238 26.278 26.278
228 3HZ LYS 32 2HZ LYS 32 4.798 26.063 26.063
229 H GLU 33 H GLU 33 10.071 29.645 29.645
230 HA GLU 33 HA GLU 33 8.741 30.764 30.764
231 1HB GLU 33 2HB GLU 33 10.518 28.272 28.272
232 2HB GLU 33 1HB GLU 33 9.472 28.890 28.890
233 1HG GLU 33 2HG GLU 33 7.480 28.650 28.650
234 2HG GLU 33 1HG GLU 33 8.598 27.695 27.695
235 H ALA 34 H ALA 34 11.667 31.378 31.378
236 HA ALA 34 HA ALA 34 13.014 32.288 32.288
237 1HB ALA 34 1HB ALA 34 14.442 31.130 31.130
238 2HB ALA 34 3HB ALA 34 14.091 32.332 32.332
239 3HB ALA 34 2HB ALA 34 14.981 32.823 32.823
240 H VAL 35 H VAL 35 11.660 33.799 33.799
241 HA VAL 35 HA VAL 35 12.844 36.342 36.342
242 HB VAL 35 HB VAL 35 11.431 35.280 35.280
243 1HG1 VAL 35 2HG1 VAL 35 13.306 37.706 37.706
244 2HG1 VAL 35 1HG1 VAL 35 12.739 37.052 37.052
245 3HG1 VAL 35 3HG1 VAL 35 11.559 37.773 37.773
246 1HG2 VAL 35 3HG2 VAL 35 14.405 35.287 35.287
247 2HG2 VAL 35 2HG2 VAL 35 13.378 33.843 33.843
248 3HG2 VAL 35 1HG2 VAL 35 13.827 34.952 34.952
249 H ASN 36 H ASN 36 9.830 34.849 34.849
250 HA ASN 36 HA ASN 36 8.591 37.129 37.129
251 1HB ASN 36 2HB ASN 36 6.565 37.198 37.198
252 2HB ASN 36 1HB ASN 36 7.870 37.324 37.324
253 1HD2 ASN 36 2HD2 ASN 36 6.938 34.000 34.000
254 2HD2 ASN 36 1HD2 ASN 36 8.415 34.833 34.833
255 H LEU 37 H LEU 37 6.517 35.927 35.927
256 HA LEU 37 HA LEU 37 6.685 33.059 33.059
257 1HB LEU 37 2HB LEU 37 7.217 34.575 34.575
258 2HB LEU 37 1HB LEU 37 6.707 32.864 32.864
259 HG LEU 37 HG LEU 37 8.949 32.797 32.797
260 1HD1 LEU 37 1HD1 LEU 37 9.682 35.135 35.135
261 2HD1 LEU 37 3HD1 LEU 37 9.645 34.708 34.708
262 3HD1 LEU 37 2HD1 LEU 37 10.813 33.895 33.895
263 1HD2 LEU 37 2HD2 LEU 37 8.249 31.175 31.175
264 2HD2 LEU 37 1HD2 LEU 37 9.996 31.565 31.565
265 3HD2 LEU 37 3HD2 LEU 37 8.842 32.260 32.260
266 H LYS 38 HN LYS 38 4.752 34.372 34.372
267 HA LYS 38 HA LYS 38 2.678 35.048 35.048
268 1HB LYS 38 2HB LYS 38 2.598 35.427 35.427
269 2HB LYS 38 1HB LYS 38 1.371 35.936 35.936
270 1HG LYS 38 2HG LYS 38 3.138 37.453 37.453
271 2HG LYS 38 1HG LYS 38 4.204 37.030 37.030
272 1HD LYS 38 2HD LYS 38 2.335 37.764 37.764
273 2HD LYS 38 1HD LYS 38 1.437 38.412 38.412
274 1HE LYS 38 2HE LYS 38 4.236 39.281 39.281
275 2HE LYS 38 1HE LYS 38 2.697 40.218 40.218
276 1HZ LYS 38 1HZ LYS 38 3.962 39.461 39.461
277 2HZ LYS 38 3HZ LYS 38 4.171 40.963 40.963
278 3HZ LYS 38 2HZ LYS 38 2.619 40.493 40.493
Start of MODEL 17
1 1H GLU 1 3H GLU 1 6.727 21.411 21.411
2 2H GLU 1 2H GLU 1 5.045 21.733 21.733
3 3H GLU 1 1H GLU 1 6.170 22.965 22.965
4 HA GLU 1 HA GLU 1 5.204 22.178 22.178
5 1HB GLU 1 2HB GLU 1 5.671 19.459 19.459
6 2HB GLU 1 1HB GLU 1 5.478 19.505 19.505
7 1HG GLU 1 2HG GLU 1 3.312 19.054 19.054
8 2HG GLU 1 1HG GLU 1 3.282 20.236 20.236
9 H ALA 2 H ALA 2 6.742 23.338 23.338
10 HA ALA 2 HA ALA 2 8.375 21.752 21.752
11 1HB ALA 2 3HB ALA 2 9.925 23.763 23.763
12 2HB ALA 2 2HB ALA 2 10.611 22.918 22.918
13 3HB ALA 2 1HB ALA 2 10.137 21.980 21.980
14 H TYR 3 H TYR 3 8.938 23.218 23.218
15 HA TYR 3 HA TYR 3 8.835 24.825 24.825
16 1HB TYR 3 2HB TYR 3 9.942 26.292 26.292
17 2HB TYR 3 1HB TYR 3 8.341 26.815 26.815
18 HD1 TYR 3 HD1 TYR 3 10.174 26.626 26.626
19 HD2 TYR 3 HD2 TYR 3 7.521 28.830 28.830
20 HE1 TYR 3 HE1 TYR 3 9.746 28.247 28.247
21 HE2 TYR 3 HE2 TYR 3 7.104 30.449 30.449
22 HH TYR 3 HH TYR 3 7.543 31.037 31.037
23 H LYS 4 H LYS 4 6.151 23.473 23.473
24 HA LYS 4 HA LYS 4 4.245 25.543 25.543
25 1HB LYS 4 2HB LYS 4 3.826 22.829 22.829
26 2HB LYS 4 1HB LYS 4 2.481 23.929 23.929
27 1HG LYS 4 2HG LYS 4 4.739 24.778 24.778
28 2HG LYS 4 1HG LYS 4 3.254 23.897 23.897
29 1HD LYS 4 2HD LYS 4 2.946 26.141 26.141
30 2HD LYS 4 1HD LYS 4 1.787 25.673 25.673
31 1HE LYS 4 2HE LYS 4 3.068 27.016 27.016
32 2HE LYS 4 1HE LYS 4 4.411 27.303 27.303
33 1HZ LYS 4 1HZ LYS 4 1.607 28.175 28.175
34 2HZ LYS 4 3HZ LYS 4 2.805 29.146 29.146
35 3HZ LYS 4 2HZ LYS 4 3.012 28.591 28.591
36 H LYS 5 H LYS 5 3.007 25.440 25.440
37 HA LYS 5 HA LYS 5 3.832 23.465 23.465
38 1HB LYS 5 2HB LYS 5 2.848 26.349 26.349
39 2HB LYS 5 1HB LYS 5 3.422 25.208 25.208
40 1HG LYS 5 2HG LYS 5 5.126 26.446 26.446
41 2HG LYS 5 1HG LYS 5 5.137 26.865 26.865
42 1HD LYS 5 2HD LYS 5 5.884 24.535 24.535
43 2HD LYS 5 1HD LYS 5 5.907 24.144 24.144
44 1HE LYS 5 2HE LYS 5 7.711 25.866 25.866
45 2HE LYS 5 1HE LYS 5 7.761 26.187 26.187
46 1HZ LYS 5 1HZ LYS 5 8.211 23.799 23.799
47 2HZ LYS 5 3HZ LYS 5 8.257 23.576 23.576
48 3HZ LYS 5 2HZ LYS 5 9.423 24.568 24.568
49 H ALA 6 H ALA 6 1.461 24.109 24.109
50 HA ALA 6 HA ALA 6 -0.879 23.590 23.590
51 1HB ALA 6 3HB ALA 6 -1.068 25.372 25.372
52 2HB ALA 6 2HB ALA 6 -0.648 24.182 24.182
53 3HB ALA 6 1HB ALA 6 -2.182 24.018 24.018
54 H LYS 7 H LYS 7 0.747 22.162 22.162
55 HA LYS 7 HA LYS 7 -0.672 19.651 19.651
56 1HB LYS 7 2HB LYS 7 -0.732 21.051 21.051
57 2HB LYS 7 1HB LYS 7 0.872 20.321 20.321
58 1HG LYS 7 2HG LYS 7 -0.382 18.047 18.047
59 2HG LYS 7 1HG LYS 7 -1.893 19.030 19.030
60 1HD LYS 7 2HD LYS 7 -1.199 19.822 19.822
61 2HD LYS 7 1HD LYS 7 0.243 18.762 18.762
62 1HE LYS 7 2HE LYS 7 -1.565 16.792 16.792
63 2HE LYS 7 1HE LYS 7 -2.743 17.982 17.982
64 1HZ LYS 7 3HZ LYS 7 -1.071 18.179 18.179
65 2HZ LYS 7 2HZ LYS 7 -0.301 16.821 16.821
66 3HZ LYS 7 1HZ LYS 7 -1.891 16.698 16.698
67 H GLN 8 H GLN 8 0.814 17.631 17.631
68 HA GLN 8 HA GLN 8 3.584 17.961 17.961
69 1HB GLN 8 2HB GLN 8 1.717 17.977 17.977
70 2HB GLN 8 1HB GLN 8 3.013 16.781 16.781
71 1HG GLN 8 2HG GLN 8 4.741 18.324 18.324
72 2HG GLN 8 1HG GLN 8 3.914 19.508 19.508
73 1HE2 GLN 8 2HE2 GLN 8 2.559 21.281 21.281
74 2HE2 GLN 8 1HE2 GLN 8 3.270 21.305 21.305
75 H ALA 9 H ALA 9 3.958 15.475 15.475
76 HA ALA 9 HA ALA 9 3.294 14.035 14.035
77 1HB ALA 9 2HB ALA 9 5.643 14.141 14.141
78 2HB ALA 9 1HB ALA 9 5.251 13.325 13.325
79 3HB ALA 9 3HB ALA 9 5.066 12.450 12.450
80 H SER 10 H SER 10 2.761 13.442 13.442
81 HA SER 10 HA SER 10 0.544 11.964 11.964
82 1HB SER 10 2HB SER 10 3.077 10.181 10.181
83 2HB SER 10 1HB SER 10 1.583 9.524 9.524
84 HG SER 10 HG SER 10 1.524 10.759 10.759
85 H GLN 11 H GLN 11 1.298 10.193 10.193
86 HA GLN 11 HA GLN 11 1.395 11.900 11.900
87 1HB GLN 11 2HB GLN 11 1.658 9.830 9.830
88 2HB GLN 11 1HB GLN 11 0.340 9.716 9.716
89 1HG GLN 11 2HG GLN 11 1.259 8.051 8.051
90 2HG GLN 11 1HG GLN 11 2.957 8.560 8.560
91 1HE2 GLN 11 2HE2 GLN 11 3.325 5.939 5.939
92 2HE2 GLN 11 1HE2 GLN 11 4.024 6.842 6.842
93 H ASP 12 H ASP 12 3.985 10.419 10.419
94 HA ASP 12 HA ASP 12 6.088 10.581 10.581
95 1HB ASP 12 2HB ASP 12 5.967 10.460 10.460
96 2HB ASP 12 1HB ASP 12 7.486 10.249 10.249
97 H ALA 13 H ALA 13 4.464 12.989 12.989
98 HA ALA 13 HA ALA 13 6.676 14.938 14.938
99 1HB ALA 13 1HB ALA 13 4.140 15.090 15.090
100 2HB ALA 13 3HB ALA 13 5.402 16.396 16.396
101 3HB ALA 13 2HB ALA 13 5.816 14.813 14.813
102 H GLU 14 H GLU 14 3.607 13.831 13.831
103 HA GLU 14 HA GLU 14 2.894 16.328 16.328
104 1HB GLU 14 2HB GLU 14 1.256 14.563 14.563
105 2HB GLU 14 1HB GLU 14 1.687 13.538 13.538
106 1HG GLU 14 2HG GLU 14 1.012 16.237 16.237
107 2HG GLU 14 1HG GLU 14 -0.194 15.757 15.757
108 H GLN 15 H GLN 15 4.436 13.216 13.216
109 HA GLN 15 HA GLN 15 4.556 13.470 13.470
110 1HB GLN 15 2HB GLN 15 4.813 11.354 11.354
111 2HB GLN 15 1HB GLN 15 6.292 11.978 11.978
112 1HG GLN 15 2HG GLN 15 7.191 10.562 10.562
113 2HG GLN 15 1HG GLN 15 7.318 12.010 12.010
114 1HE2 GLN 15 2HE2 GLN 15 5.343 10.408 10.408
115 2HE2 GLN 15 1HE2 GLN 15 6.467 11.672 11.672
116 H ALA 16 H ALA 16 6.687 14.296 14.296
117 HA ALA 16 HA ALA 16 8.989 15.141 15.141
118 1HB ALA 16 1HB ALA 16 9.017 14.142 14.142
119 2HB ALA 16 3HB ALA 16 8.294 15.653 15.653
120 3HB ALA 16 2HB ALA 16 9.921 15.694 15.694
121 H ALA 17 H ALA 17 5.997 16.622 16.622
122 HA ALA 17 HA ALA 17 6.951 19.380 19.380
123 1HB ALA 17 1HB ALA 17 5.170 18.813 18.813
124 2HB ALA 17 3HB ALA 17 4.055 18.386 18.386
125 3HB ALA 17 2HB ALA 17 4.662 20.080 20.080
126 H LYS 18 H LYS 18 5.650 16.847 16.847
127 HA LYS 18 HA LYS 18 4.800 18.757 18.757
128 1HB LYS 18 2HB LYS 18 4.739 15.699 15.699
129 2HB LYS 18 1HB LYS 18 4.253 16.698 16.698
130 1HG LYS 18 2HG LYS 18 2.604 17.888 17.888
131 2HG LYS 18 1HG LYS 18 2.977 16.956 16.956
132 1HD LYS 18 2HD LYS 18 2.096 14.882 14.882
133 2HD LYS 18 1HD LYS 18 2.166 15.583 15.583
134 1HE LYS 18 2HE LYS 18 -0.195 15.390 15.390
135 2HE LYS 18 1HE LYS 18 0.293 17.095 17.095
136 1HZ LYS 18 1HZ LYS 18 0.800 17.197 17.197
137 2HZ LYS 18 3HZ LYS 18 -0.165 15.815 15.815
138 3HZ LYS 18 2HZ LYS 18 -0.841 17.212 17.212
139 H ASP 19 H ASP 19 7.522 16.473 16.473
140 HA ASP 19 HA ASP 19 8.804 17.188 17.188
141 1HB ASP 19 2HB ASP 19 9.860 15.472 15.472
142 2HB ASP 19 1HB ASP 19 10.687 15.741 15.741
143 H ALA 20 H ALA 20 8.324 18.953 18.953
144 HA ALA 20 HA ALA 20 10.919 20.279 20.279
145 1HB ALA 20 1HB ALA 20 9.670 19.829 19.829
146 2HB ALA 20 3HB ALA 20 8.340 20.910 20.910
147 3HB ALA 20 2HB ALA 20 9.983 21.578 21.578
148 H GLU 21 H GLU 21 7.525 20.843 20.843
149 HA GLU 21 HA GLU 21 8.242 23.510 23.510
150 1HB GLU 21 2HB GLU 21 5.533 22.085 22.085
151 2HB GLU 21 1HB GLU 21 5.855 23.642 23.642
152 1HG GLU 21 2HG GLU 21 6.749 24.576 24.576
153 2HG GLU 21 1HG GLU 21 5.985 23.167 23.167
154 H ASN 22 H ASN 22 8.022 20.263 20.263
155 HA ASN 22 HA ASN 22 7.732 20.846 20.846
156 1HB ASN 22 2HB ASN 22 8.697 18.445 18.445
157 2HB ASN 22 1HB ASN 22 9.195 18.506 18.506
158 1HD2 ASN 22 2HD2 ASN 22 5.606 17.033 17.033
159 2HD2 ASN 22 1HD2 ASN 22 6.847 17.015 17.015
160 H ALA 23 H ALA 23 10.729 20.923 20.923
161 HA ALA 23 HA ALA 23 12.531 21.209 21.209
162 1HB ALA 23 3HB ALA 23 13.238 20.374 20.374
163 2HB ALA 23 2HB ALA 23 12.942 21.978 21.978
164 3HB ALA 23 1HB ALA 23 14.232 21.779 21.779
165 H SER 24 H SER 24 10.435 23.531 23.531
166 HA SER 24 HA SER 24 11.834 25.851 25.851
167 1HB SER 24 2HB SER 24 9.287 25.730 25.730
168 2HB SER 24 1HB SER 24 10.059 27.231 27.231
169 HG SER 24 HG SER 24 10.873 25.547 25.547
170 H LYS 25 H LYS 25 9.449 23.530 23.530
171 HA LYS 25 HA LYS 25 7.901 25.210 25.210
172 1HB LYS 25 2HB LYS 25 6.511 23.962 23.962
173 2HB LYS 25 1HB LYS 25 7.552 22.527 22.527
174 1HG LYS 25 2HG LYS 25 6.027 23.314 23.314
175 2HG LYS 25 1HG LYS 25 5.375 22.335 22.335
176 1HD LYS 25 2HD LYS 25 7.214 20.741 20.741
177 2HD LYS 25 1HD LYS 25 7.830 21.493 21.493
178 1HE LYS 25 2HE LYS 25 5.860 20.987 20.987
179 2HE LYS 25 1HE LYS 25 4.986 20.385 20.385
180 1HZ LYS 25 3HZ LYS 25 7.537 19.195 19.195
181 2HZ LYS 25 2HZ LYS 25 5.959 18.637 18.637
182 3HZ LYS 25 1HZ LYS 25 6.535 18.689 18.689
183 H GLU 26 H GLU 26 10.369 22.621 22.621
184 HA GLU 26 HA GLU 26 10.461 22.757 22.757
185 1HB GLU 26 2HB GLU 26 12.454 21.239 21.239
186 2HB GLU 26 1HB GLU 26 11.001 20.629 20.629
187 1HG GLU 26 2HG GLU 26 11.817 21.261 21.261
188 2HG GLU 26 1HG GLU 26 13.228 22.163 22.163
189 H ALA 27 H ALA 27 11.611 24.682 24.682
190 HA ALA 27 HA ALA 27 13.980 25.681 25.681
191 1HB ALA 27 3HB ALA 27 14.020 25.399 25.399
192 2HB ALA 27 2HB ALA 27 12.751 26.656 26.656
193 3HB ALA 27 1HB ALA 27 14.369 27.083 27.083
194 H GLU 28 H GLU 28 10.670 26.200 26.200
195 HA GLU 28 HA GLU 28 10.159 28.869 28.869
196 1HB GLU 28 2HB GLU 28 8.696 26.630 26.630
197 2HB GLU 28 1HB GLU 28 8.062 28.309 28.309
198 1HG GLU 28 2HG GLU 28 7.711 28.448 28.448
199 2HG GLU 28 1HG GLU 28 8.461 26.845 26.845
200 H GLU 29 H GLU 29 10.962 27.068 27.068
201 HA GLU 29 HA GLU 29 10.639 29.368 29.368
202 1HB GLU 29 2HB GLU 29 10.810 26.409 26.409
203 2HB GLU 29 1HB GLU 29 11.651 27.241 27.241
204 1HG GLU 29 2HG GLU 29 9.673 28.539 28.539
205 2HG GLU 29 1HG GLU 29 8.734 27.792 27.792
206 H ALA 30 H ALA 30 13.173 28.161 28.161
207 HA ALA 30 HA ALA 30 15.404 28.908 28.908
208 1HB ALA 30 3HB ALA 30 15.562 26.849 26.849
209 2HB ALA 30 2HB ALA 30 15.338 27.868 27.868
210 3HB ALA 30 1HB ALA 30 16.808 28.072 28.072
211 H ALA 31 H ALA 31 13.585 30.004 30.004
212 HA ALA 31 HA ALA 31 15.047 32.493 32.493
213 1HB ALA 31 3HB ALA 31 14.287 31.343 31.343
214 2HB ALA 31 2HB ALA 31 12.582 31.563 31.563
215 3HB ALA 31 1HB ALA 31 13.611 32.997 32.997
216 H LYS 32 H LYS 32 13.784 31.983 31.983
217 HA LYS 32 HA LYS 32 12.689 34.626 34.626
218 1HB LYS 32 2HB LYS 32 11.369 32.283 32.283
219 2HB LYS 32 1HB LYS 32 11.151 34.052 34.052
220 1HG LYS 32 2HG LYS 32 10.341 34.312 34.312
221 2HG LYS 32 1HG LYS 32 10.293 32.523 32.523
222 1HD LYS 32 2HD LYS 32 8.638 32.314 32.314
223 2HD LYS 32 1HD LYS 32 8.760 34.045 34.045
224 1HE LYS 32 2HE LYS 32 7.680 32.988 32.988
225 2HE LYS 32 1HE LYS 32 6.671 33.528 33.528
226 1HZ LYS 32 1HZ LYS 32 7.870 35.726 35.726
227 2HZ LYS 32 3HZ LYS 32 8.507 35.158 35.158
228 3HZ LYS 32 2HZ LYS 32 6.825 35.343 35.343
229 H GLU 33 H GLU 33 13.602 31.730 31.730
230 HA GLU 33 HA GLU 33 14.831 33.310 33.310
231 1HB GLU 33 2HB GLU 33 14.944 30.338 30.338
232 2HB GLU 33 1HB GLU 33 15.779 30.949 30.949
233 1HG GLU 33 2HG GLU 33 12.760 31.388 31.388
234 2HG GLU 33 1HG GLU 33 13.494 30.030 30.030
235 H ALA 34 H ALA 34 16.431 31.930 31.930
236 HA ALA 34 HA ALA 34 19.070 32.558 32.558
237 1HB ALA 34 3HB ALA 34 18.656 30.356 30.356
238 2HB ALA 34 2HB ALA 34 18.529 31.334 31.334
239 3HB ALA 34 1HB ALA 34 20.065 31.340 31.340
240 H VAL 35 H VAL 35 16.645 33.967 33.967
241 HA VAL 35 HA VAL 35 18.638 35.488 35.488
242 HB VAL 35 HB VAL 35 15.695 34.838 34.838
243 1HG1 VAL 35 3HG1 VAL 35 17.604 36.563 36.563
244 2HG1 VAL 35 2HG1 VAL 35 16.047 35.853 35.853
245 3HG1 VAL 35 1HG1 VAL 35 16.049 37.102 37.102
246 1HG2 VAL 35 2HG2 VAL 35 18.337 33.995 33.995
247 2HG2 VAL 35 1HG2 VAL 35 17.312 32.944 32.944
248 3HG2 VAL 35 3HG2 VAL 35 16.677 33.549 33.549
249 H ASN 36 H ASN 36 16.322 35.870 35.870
250 HA ASN 36 HA ASN 36 17.055 38.527 38.527
251 1HB ASN 36 2HB ASN 36 14.798 39.610 39.610
252 2HB ASN 36 1HB ASN 36 15.398 39.169 39.169
253 1HD2 ASN 36 2HD2 ASN 36 12.886 36.499 36.499
254 2HD2 ASN 36 1HD2 ASN 36 14.535 36.870 36.870
255 H LEU 37 H LEU 37 14.709 38.832 38.832
256 HA LEU 37 HA LEU 37 13.967 36.455 36.455
257 1HB LEU 37 2HB LEU 37 16.567 37.045 37.045
258 2HB LEU 37 1HB LEU 37 15.628 37.821 37.821
259 HG LEU 37 HG LEU 37 15.219 34.931 34.931
260 1HD1 LEU 37 1HD1 LEU 37 17.089 35.965 35.965
261 2HD1 LEU 37 3HD1 LEU 37 16.622 34.237 34.237
262 3HD1 LEU 37 2HD1 LEU 37 17.538 35.101 35.101
263 1HD2 LEU 37 3HD2 LEU 37 14.328 36.317 36.317
264 2HD2 LEU 37 2HD2 LEU 37 13.281 35.718 35.718
265 3HD2 LEU 37 1HD2 LEU 37 14.216 34.544 34.544
266 H LYS 38 HN LYS 38 12.626 38.474 38.474
267 HA LYS 38 HA LYS 38 11.800 40.300 40.300
268 1HB LYS 38 2HB LYS 38 12.036 40.859 40.859
269 2HB LYS 38 1HB LYS 38 11.159 41.857 41.857
270 1HG LYS 38 2HG LYS 38 13.271 42.270 42.270
271 2HG LYS 38 1HG LYS 38 14.165 41.247 41.247
272 1HD LYS 38 2HD LYS 38 14.605 43.556 43.556
273 2HD LYS 38 1HD LYS 38 13.763 42.849 42.849
274 1HE LYS 38 2HE LYS 38 12.408 44.623 44.623
275 2HE LYS 38 1HE LYS 38 13.083 45.254 45.254
276 1HZ LYS 38 1HZ LYS 38 11.537 43.795 43.795
277 2HZ LYS 38 3HZ LYS 38 10.858 43.309 43.309
278 3HZ LYS 38 2HZ LYS 38 10.738 44.933 44.933
Start of MODEL 18
1 1H GLU 1 1H GLU 1 6.378 25.562 25.562
2 2H GLU 1 3H GLU 1 7.674 24.634 24.634
3 3H GLU 1 2H GLU 1 7.010 24.282 24.282
4 HA GLU 1 HA GLU 1 8.828 25.435 25.435
5 1HB GLU 1 2HB GLU 1 8.523 26.917 26.917
6 2HB GLU 1 1HB GLU 1 9.701 27.466 27.466
7 1HG GLU 1 2HG GLU 1 10.814 26.105 26.105
8 2HG GLU 1 1HG GLU 1 10.932 25.342 25.342
9 H ALA 2 H ALA 2 7.052 28.163 28.163
10 HA ALA 2 HA ALA 2 6.112 29.036 29.036
11 1HB ALA 2 3HB ALA 2 7.422 30.662 30.662
12 2HB ALA 2 2HB ALA 2 6.213 30.562 30.562
13 3HB ALA 2 1HB ALA 2 5.740 31.221 31.221
14 H TYR 3 H TYR 3 4.860 26.798 26.798
15 HA TYR 3 HA TYR 3 2.191 27.669 27.669
16 1HB TYR 3 2HB TYR 3 3.539 24.977 24.977
17 2HB TYR 3 1HB TYR 3 1.930 25.613 25.613
18 HD1 TYR 3 HD2 TYR 3 2.351 28.345 28.345
19 HD2 TYR 3 HD1 TYR 3 5.053 24.998 24.998
20 HE1 TYR 3 HE2 TYR 3 3.491 29.438 29.438
21 HE2 TYR 3 HE1 TYR 3 6.232 26.097 26.097
22 HH TYR 3 HH TYR 3 5.039 29.226 29.226
23 H LYS 4 H LYS 4 1.979 24.431 24.431
24 HA LYS 4 HA LYS 4 1.132 24.669 24.669
25 1HB LYS 4 2HB LYS 4 0.818 22.389 22.389
26 2HB LYS 4 1HB LYS 4 0.368 22.234 22.234
27 1HG LYS 4 2HG LYS 4 -1.565 22.632 22.632
28 2HG LYS 4 1HG LYS 4 -1.261 23.964 23.964
29 1HD LYS 4 2HD LYS 4 -0.550 25.474 25.474
30 2HD LYS 4 1HD LYS 4 -0.582 24.090 24.090
31 1HE LYS 4 2HE LYS 4 -2.527 25.496 25.496
32 2HE LYS 4 1HE LYS 4 -3.072 23.901 23.901
33 1HZ LYS 4 1HZ LYS 4 -3.270 24.965 24.965
34 2HZ LYS 4 3HZ LYS 4 -2.776 26.453 26.453
35 3HZ LYS 4 2HZ LYS 4 -4.232 25.747 25.747
36 H LYS 5 H LYS 5 3.830 23.511 23.511
37 HA LYS 5 HA LYS 5 5.845 23.151 23.151
38 1HB LYS 5 2HB LYS 5 5.007 23.072 23.072
39 2HB LYS 5 1HB LYS 5 6.700 22.981 22.981
40 1HG LYS 5 2HG LYS 5 6.798 25.197 25.197
41 2HG LYS 5 1HG LYS 5 5.095 25.317 25.317
42 1HD LYS 5 2HD LYS 5 5.471 24.990 24.990
43 2HD LYS 5 1HD LYS 5 6.233 26.440 26.440
44 1HE LYS 5 2HE LYS 5 4.088 27.025 27.025
45 2HE LYS 5 1HE LYS 5 3.224 25.712 25.712
46 1HZ LYS 5 2HZ LYS 5 4.680 28.026 28.026
47 2HZ LYS 5 1HZ LYS 5 3.027 27.935 27.935
48 3HZ LYS 5 3HZ LYS 5 3.729 26.863 26.863
49 H ALA 6 H ALA 6 4.860 20.868 20.868
50 HA ALA 6 HA ALA 6 5.523 18.635 18.635
51 1HB ALA 6 1HB ALA 6 6.755 18.664 18.664
52 2HB ALA 6 3HB ALA 6 5.190 18.724 18.724
53 3HB ALA 6 2HB ALA 6 5.638 17.261 17.261
54 H LYS 7 H LYS 7 4.023 16.657 16.657
55 HA LYS 7 HA LYS 7 1.216 17.549 17.549
56 1HB LYS 7 2HB LYS 7 2.373 16.171 16.171
57 2HB LYS 7 1HB LYS 7 2.225 14.748 14.748
58 1HG LYS 7 2HG LYS 7 -0.093 16.608 16.608
59 2HG LYS 7 1HG LYS 7 0.479 15.163 15.163
60 1HD LYS 7 2HD LYS 7 -0.111 13.680 13.680
61 2HD LYS 7 1HD LYS 7 -0.671 15.076 15.076
62 1HE LYS 7 2HE LYS 7 -2.579 13.847 13.847
63 2HE LYS 7 1HE LYS 7 -2.524 15.554 15.554
64 1HZ LYS 7 2HZ LYS 7 -1.460 13.218 13.218
65 2HZ LYS 7 1HZ LYS 7 -3.013 13.870 13.870
66 3HZ LYS 7 3HZ LYS 7 -1.657 14.809 14.809
67 H GLN 8 H GLN 8 0.544 17.578 17.578
68 HA GLN 8 HA GLN 8 1.453 15.780 15.780
69 1HB GLN 8 2HB GLN 8 -0.934 17.686 17.686
70 2HB GLN 8 1HB GLN 8 -0.122 16.950 16.950
71 1HG GLN 8 2HG GLN 8 2.033 18.180 18.180
72 2HG GLN 8 1HG GLN 8 1.081 19.019 19.019
73 1HE2 GLN 8 2HE2 GLN 8 -0.711 20.524 20.524
74 2HE2 GLN 8 1HE2 GLN 8 -0.905 18.808 18.808
75 H ALA 9 H ALA 9 0.965 13.767 13.767
76 HA ALA 9 HA ALA 9 -1.472 13.017 13.017
77 1HB ALA 9 2HB ALA 9 1.260 11.653 11.653
78 2HB ALA 9 1HB ALA 9 -0.054 10.874 10.874
79 3HB ALA 9 3HB ALA 9 0.698 12.414 12.414
80 H SER 10 H SER 10 0.387 12.271 12.271
81 HA SER 10 HA SER 10 -1.774 11.694 11.694
82 1HB SER 10 2HB SER 10 -0.176 9.175 9.175
83 2HB SER 10 1HB SER 10 -1.285 9.173 9.173
84 HG SER 10 HG SER 10 -2.299 10.095 10.095
85 H GLN 11 H GLN 11 -0.486 10.192 10.192
86 HA GLN 11 HA GLN 11 0.775 12.305 12.305
87 1HB GLN 11 2HB GLN 11 1.065 10.743 10.743
88 2HB GLN 11 1HB GLN 11 -0.601 10.851 10.851
89 1HG GLN 11 2HG GLN 11 -0.550 8.698 8.698
90 2HG GLN 11 1HG GLN 11 1.234 8.560 8.560
91 1HE2 GLN 11 2HE2 GLN 11 -0.757 8.146 8.146
92 2HE2 GLN 11 1HE2 GLN 11 -1.468 9.238 9.238
93 H ASP 12 H ASP 12 2.295 9.497 9.497
94 HA ASP 12 HA ASP 12 4.866 9.786 9.786
95 1HB ASP 12 2HB ASP 12 3.576 9.174 9.174
96 2HB ASP 12 1HB ASP 12 5.324 8.871 8.871
97 H ALA 13 H ALA 13 3.024 11.916 11.916
98 HA ALA 13 HA ALA 13 5.507 13.261 13.261
99 1HB ALA 13 2HB ALA 13 2.573 13.708 13.708
100 2HB ALA 13 1HB ALA 13 3.999 14.598 14.598
101 3HB ALA 13 3HB ALA 13 3.835 12.834 12.834
102 H GLU 14 H GLU 14 2.519 13.741 13.741
103 HA GLU 14 HA GLU 14 3.083 16.473 16.473
104 1HB GLU 14 2HB GLU 14 0.794 14.994 14.994
105 2HB GLU 14 1HB GLU 14 0.836 15.166 15.166
106 1HG GLU 14 2HG GLU 14 1.016 17.680 17.680
107 2HG GLU 14 1HG GLU 14 1.114 17.405 17.405
108 H GLN 15 H GLN 15 3.805 13.430 13.430
109 HA GLN 15 HA GLN 15 4.614 14.703 14.703
110 1HB GLN 15 2HB GLN 15 3.899 12.240 12.240
111 2HB GLN 15 1HB GLN 15 5.402 11.908 11.908
112 1HG GLN 15 2HG GLN 15 5.599 11.276 11.276
113 2HG GLN 15 1HG GLN 15 6.753 12.618 12.618
114 1HE2 GLN 15 2HE2 GLN 15 5.291 13.857 13.857
115 2HE2 GLN 15 1HE2 GLN 15 6.720 13.243 13.243
116 H ALA 16 H ALA 16 6.321 13.534 13.534
117 HA ALA 16 HA ALA 16 8.917 14.006 14.006
118 1HB ALA 16 3HB ALA 16 8.361 12.487 12.487
119 2HB ALA 16 2HB ALA 16 7.994 13.899 13.899
120 3HB ALA 16 1HB ALA 16 9.676 13.639 13.639
121 H ALA 17 H ALA 17 6.653 16.030 16.030
122 HA ALA 17 HA ALA 17 8.345 18.261 18.261
123 1HB ALA 17 2HB ALA 17 6.324 17.737 17.737
124 2HB ALA 17 1HB ALA 17 5.263 18.113 18.113
125 3HB ALA 17 3HB ALA 17 6.266 19.415 19.415
126 H LYS 18 H LYS 18 6.807 17.135 17.135
127 HA LYS 18 HA LYS 18 6.077 19.647 19.647
128 1HB LYS 18 2HB LYS 18 5.751 16.775 16.775
129 2HB LYS 18 1HB LYS 18 6.109 17.535 17.535
130 1HG LYS 18 2HG LYS 18 4.157 19.100 19.100
131 2HG LYS 18 1HG LYS 18 3.922 18.323 18.323
132 1HD LYS 18 2HD LYS 18 3.821 16.064 16.064
133 2HD LYS 18 1HD LYS 18 3.527 16.979 16.979
134 1HE LYS 18 2HE LYS 18 1.829 17.106 17.106
135 2HE LYS 18 1HE LYS 18 1.499 15.997 15.997
136 1HZ LYS 18 2HZ LYS 18 1.261 17.969 17.969
137 2HZ LYS 18 1HZ LYS 18 1.564 18.953 18.953
138 3HZ LYS 18 3HZ LYS 18 0.190 17.943 17.943
139 H ASP 19 H ASP 19 8.832 17.538 17.538
140 HA ASP 19 HA ASP 19 10.036 18.288 18.288
141 1HB ASP 19 2HB ASP 19 10.184 16.072 16.072
142 2HB ASP 19 1HB ASP 19 11.406 16.826 16.826
143 H ALA 20 H ALA 20 9.797 20.004 20.004
144 HA ALA 20 HA ALA 20 12.386 21.333 21.333
145 1HB ALA 20 1HB ALA 20 11.329 20.556 20.556
146 2HB ALA 20 3HB ALA 20 9.969 21.697 21.697
147 3HB ALA 20 2HB ALA 20 11.646 22.337 22.337
148 H GLU 21 H GLU 21 8.945 21.924 21.924
149 HA GLU 21 HA GLU 21 9.437 24.704 24.704
150 1HB GLU 21 2HB GLU 21 7.146 23.171 23.171
151 2HB GLU 21 1HB GLU 21 6.672 24.040 24.040
152 1HG GLU 21 2HG GLU 21 8.181 25.430 25.430
153 2HG GLU 21 1HG GLU 21 6.396 25.217 25.217
154 H ASN 22 H ASN 22 8.460 21.497 21.497
155 HA ASN 22 HA ASN 22 7.964 22.518 22.518
156 1HB ASN 22 2HB ASN 22 8.520 19.644 19.644
157 2HB ASN 22 1HB ASN 22 8.026 20.108 20.108
158 1HD2 ASN 22 2HD2 ASN 22 5.088 18.832 18.832
159 2HD2 ASN 22 1HD2 ASN 22 6.727 18.251 18.251
160 H ALA 23 H ALA 23 10.877 22.370 22.370
161 HA ALA 23 HA ALA 23 12.565 21.350 21.350
162 1HB ALA 23 3HB ALA 23 13.126 22.533 22.533
163 2HB ALA 23 2HB ALA 23 14.424 21.978 21.978
164 3HB ALA 23 1HB ALA 23 13.206 20.817 20.817
165 H SER 24 H SER 24 11.397 24.465 24.465
166 HA SER 24 HA SER 24 13.044 25.988 25.988
167 1HB SER 24 2HB SER 24 11.366 27.903 27.903
168 2HB SER 24 1HB SER 24 12.928 27.334 27.334
169 HG SER 24 HG SER 24 10.386 26.279 26.279
170 H LYS 25 H LYS 25 10.121 24.340 24.340
171 HA LYS 25 HA LYS 25 8.764 26.115 26.115
172 1HB LYS 25 2HB LYS 25 8.174 23.581 23.581
173 2HB LYS 25 1HB LYS 25 7.097 23.993 23.993
174 1HG LYS 25 2HG LYS 25 6.628 26.115 26.115
175 2HG LYS 25 1HG LYS 25 7.931 26.067 26.067
176 1HD LYS 25 2HD LYS 25 6.657 24.954 24.954
177 2HD LYS 25 1HD LYS 25 5.494 24.300 24.300
178 1HE LYS 25 2HE LYS 25 4.647 26.312 26.312
179 2HE LYS 25 1HE LYS 25 4.555 26.528 26.528
180 1HZ LYS 25 1HZ LYS 25 6.680 27.668 27.668
181 2HZ LYS 25 3HZ LYS 25 5.354 28.464 28.464
182 3HZ LYS 25 2HZ LYS 25 6.592 27.921 27.921
183 H GLU 26 H GLU 26 10.996 23.498 23.498
184 HA GLU 26 HA GLU 26 10.490 23.072 23.072
185 1HB GLU 26 2HB GLU 26 12.798 22.141 22.141
186 2HB GLU 26 1HB GLU 26 12.617 21.745 21.745
187 1HG GLU 26 2HG GLU 26 10.140 20.928 20.928
188 2HG GLU 26 1HG GLU 26 11.102 20.736 20.736
189 H ALA 27 H ALA 27 12.151 25.501 25.501
190 HA ALA 27 HA ALA 27 13.991 26.211 26.211
191 1HB ALA 27 3HB ALA 27 13.531 27.402 27.402
192 2HB ALA 27 2HB ALA 27 14.762 28.007 28.007
193 3HB ALA 27 1HB ALA 27 14.870 26.332 26.332
194 H GLU 28 H GLU 28 10.929 27.156 27.156
195 HA GLU 28 HA GLU 28 10.359 29.582 29.582
196 1HB GLU 28 2HB GLU 28 8.420 27.277 27.277
197 2HB GLU 28 1HB GLU 28 7.885 28.930 28.930
198 1HG GLU 28 2HG GLU 28 8.975 29.903 29.903
199 2HG GLU 28 1HG GLU 28 9.588 28.297 28.297
200 H GLU 29 H GLU 29 10.018 26.308 26.308
201 HA GLU 29 HA GLU 29 8.993 27.478 27.478
202 1HB GLU 29 2HB GLU 29 9.116 24.624 24.624
203 2HB GLU 29 1HB GLU 29 8.675 25.115 25.115
204 1HG GLU 29 2HG GLU 29 7.112 26.717 26.717
205 2HG GLU 29 1HG GLU 29 7.010 25.016 25.016
206 H ALA 30 H ALA 30 12.199 26.703 26.703
207 HA ALA 30 HA ALA 30 13.223 26.145 26.145
208 1HB ALA 30 3HB ALA 30 14.734 27.024 27.024
209 2HB ALA 30 2HB ALA 30 15.509 26.428 26.428
210 3HB ALA 30 1HB ALA 30 14.450 25.346 25.346
211 H ALA 31 H ALA 31 12.416 29.016 29.016
212 HA ALA 31 HA ALA 31 13.692 30.816 30.816
213 1HB ALA 31 3HB ALA 31 13.624 31.344 31.344
214 2HB ALA 31 2HB ALA 31 11.828 31.349 31.349
215 3HB ALA 31 1HB ALA 31 12.754 32.603 32.603
216 H LYS 32 H LYS 32 11.403 28.828 28.828
217 HA LYS 32 HA LYS 32 9.708 30.883 30.883
218 1HB LYS 32 2HB LYS 32 9.270 27.898 27.898
219 2HB LYS 32 1HB LYS 32 8.549 28.587 28.587
220 1HG LYS 32 2HG LYS 32 6.942 28.433 28.433
221 2HG LYS 32 1HG LYS 32 7.205 30.182 30.182
222 1HD LYS 32 2HD LYS 32 8.353 30.488 30.488
223 2HD LYS 32 1HD LYS 32 8.316 28.729 28.729
224 1HE LYS 32 2HE LYS 32 5.931 30.709 30.709
225 2HE LYS 32 1HE LYS 32 6.622 29.722 29.722
226 1HZ LYS 32 2HZ LYS 32 5.959 27.679 27.679
227 2HZ LYS 32 1HZ LYS 32 5.132 28.742 28.742
228 3HZ LYS 32 3HZ LYS 32 4.643 28.613 28.613
229 H GLU 33 H GLU 33 11.151 27.762 27.762
230 HA GLU 33 HA GLU 33 11.287 28.902 28.902
231 1HB GLU 33 2HB GLU 33 12.220 26.144 26.144
232 2HB GLU 33 1HB GLU 33 12.063 26.622 26.622
233 1HG GLU 33 2HG GLU 33 10.190 25.274 25.274
234 2HG GLU 33 1HG GLU 33 9.558 26.955 26.955
235 H ALA 34 H ALA 34 13.564 28.360 28.360
236 HA ALA 34 HA ALA 34 15.856 29.159 29.159
237 1HB ALA 34 3HB ALA 34 15.908 28.024 28.024
238 2HB ALA 34 2HB ALA 34 17.339 28.659 28.659
239 3HB ALA 34 1HB ALA 34 16.443 27.261 27.261
240 H VAL 35 H VAL 35 14.132 30.207 30.207
241 HA VAL 35 HA VAL 35 13.552 32.264 32.264
242 HB VAL 35 HB VAL 35 15.170 33.511 33.511
243 1HG1 VAL 35 2HG1 VAL 35 13.179 34.677 34.677
244 2HG1 VAL 35 1HG1 VAL 35 13.566 35.447 35.447
245 3HG1 VAL 35 3HG1 VAL 35 14.858 35.237 35.237
246 1HG2 VAL 35 2HG2 VAL 35 12.172 32.814 32.814
247 2HG2 VAL 35 1HG2 VAL 35 13.285 32.051 32.051
248 3HG2 VAL 35 3HG2 VAL 35 12.871 33.784 33.784
249 H ASN 36 H ASN 36 16.586 30.904 30.904
250 HA ASN 36 HA ASN 36 17.497 32.364 32.364
251 1HB ASN 36 2HB ASN 36 19.785 32.918 32.918
252 2HB ASN 36 1HB ASN 36 18.396 34.043 34.043
253 1HD2 ASN 36 2HD2 ASN 36 17.827 33.313 33.313
254 2HD2 ASN 36 1HD2 ASN 36 17.011 33.751 33.751
255 H LEU 37 H LEU 37 18.909 30.725 30.725
256 HA LEU 37 HA LEU 37 19.343 28.656 28.656
257 1HB LEU 37 2HB LEU 37 18.161 27.894 27.894
258 2HB LEU 37 1HB LEU 37 19.849 27.609 27.609
259 HG LEU 37 HG LEU 37 18.218 26.393 26.393
260 1HD1 LEU 37 1HD1 LEU 37 17.750 25.611 25.611
261 2HD1 LEU 37 3HD1 LEU 37 19.480 25.111 25.111
262 3HD1 LEU 37 2HD1 LEU 37 18.405 24.304 24.304
263 1HD2 LEU 37 2HD2 LEU 37 21.194 25.980 25.980
264 2HD2 LEU 37 1HD2 LEU 37 20.462 26.504 26.504
265 3HD2 LEU 37 3HD2 LEU 37 20.217 24.820 24.820
266 H LYS 38 HN LYS 38 20.882 31.056 31.056
267 HA LYS 38 HA LYS 38 23.417 29.771 29.771
268 1HB LYS 38 2HB LYS 38 23.261 30.465 30.465
269 2HB LYS 38 1HB LYS 38 23.317 32.161 32.161
270 1HG LYS 38 2HG LYS 38 25.553 31.805 31.805
271 2HG LYS 38 1HG LYS 38 25.410 30.015 30.015
272 1HD LYS 38 2HD LYS 38 25.341 30.177 30.177
273 2HD LYS 38 1HD LYS 38 25.447 31.980 31.980
274 1HE LYS 38 2HE LYS 38 27.710 31.766 31.766
275 2HE LYS 38 1HE LYS 38 27.617 29.963 29.963
276 1HZ LYS 38 1HZ LYS 38 27.412 31.836 31.836
277 2HZ LYS 38 3HZ LYS 38 28.888 31.189 31.189
278 3HZ LYS 38 2HZ LYS 38 27.666 30.161 30.161
Start of MODEL 19
1 1H GLU 1 3H GLU 1 23.740 3.146 3.146
2 2H GLU 1 2H GLU 1 23.799 1.439 1.439
3 3H GLU 1 1H GLU 1 24.184 2.456 2.456
4 HA GLU 1 HA GLU 1 22.042 2.019 2.019
5 1HB GLU 1 2HB GLU 1 21.746 0.599 0.599
6 2HB GLU 1 1HB GLU 1 21.381 2.054 2.054
7 1HG GLU 1 2HG GLU 1 19.725 1.183 1.183
8 2HG GLU 1 1HG GLU 1 19.500 0.424 0.424
9 H ALA 2 H ALA 2 20.162 3.858 3.858
10 HA ALA 2 HA ALA 2 20.343 6.192 6.192
11 1HB ALA 2 2HB ALA 2 21.951 6.262 6.262
12 2HB ALA 2 1HB ALA 2 21.385 7.724 7.724
13 3HB ALA 2 3HB ALA 2 22.623 6.659 6.659
14 H TYR 3 H TYR 3 19.511 7.642 7.642
15 HA TYR 3 HA TYR 3 17.471 6.050 6.050
16 1HB TYR 3 2HB TYR 3 15.553 7.376 7.376
17 2HB TYR 3 1HB TYR 3 16.401 6.803 6.803
18 HD1 TYR 3 HD2 TYR 3 18.281 8.542 8.542
19 HD2 TYR 3 HD1 TYR 3 14.977 9.630 9.630
20 HE1 TYR 3 HE2 TYR 3 18.761 10.909 10.909
21 HE2 TYR 3 HE1 TYR 3 15.442 11.995 11.995
22 HH TYR 3 HH TYR 3 18.008 13.095 13.095
23 H LYS 4 H LYS 4 16.352 8.236 8.236
24 HA LYS 4 HA LYS 4 18.412 10.260 10.260
25 1HB LYS 4 2HB LYS 4 17.259 8.729 8.729
26 2HB LYS 4 1HB LYS 4 18.131 10.309 10.309
27 1HG LYS 4 2HG LYS 4 20.117 9.141 9.141
28 2HG LYS 4 1HG LYS 4 19.235 7.586 7.586
29 1HD LYS 4 2HD LYS 4 19.003 8.124 8.124
30 2HD LYS 4 1HD LYS 4 19.979 9.624 9.624
31 1HE LYS 4 2HE LYS 4 21.939 8.156 8.156
32 2HE LYS 4 1HE LYS 4 20.946 6.688 6.688
33 1HZ LYS 4 1HZ LYS 4 20.894 7.455 7.455
34 2HZ LYS 4 3HZ LYS 4 21.963 8.711 8.711
35 3HZ LYS 4 2HZ LYS 4 22.433 7.103 7.103
36 H LYS 5 H LYS 5 15.366 9.174 9.174
37 HA LYS 5 HA LYS 5 13.844 11.326 11.326
38 1HB LYS 5 2HB LYS 5 15.290 12.427 12.427
39 2HB LYS 5 1HB LYS 5 14.505 11.364 11.364
40 1HG LYS 5 2HG LYS 5 13.546 13.551 13.551
41 2HG LYS 5 1HG LYS 5 12.270 12.490 12.490
42 1HD LYS 5 2HD LYS 5 12.727 13.351 13.351
43 2HD LYS 5 1HD LYS 5 14.219 14.177 14.177
44 1HE LYS 5 2HE LYS 5 12.840 15.735 15.735
45 2HE LYS 5 1HE LYS 5 11.324 14.953 14.953
46 1HZ LYS 5 3HZ LYS 5 11.990 15.617 15.617
47 2HZ LYS 5 2HZ LYS 5 13.374 16.375 16.375
48 3HZ LYS 5 1HZ LYS 5 11.842 16.950 16.950
49 H ALA 6 H ALA 6 12.287 9.825 9.825
50 HA ALA 6 HA ALA 6 11.225 7.949 7.949
51 1HB ALA 6 1HB ALA 6 11.528 7.224 7.224
52 2HB ALA 6 3HB ALA 6 10.314 8.438 8.438
53 3HB ALA 6 2HB ALA 6 9.829 7.080 7.080
54 H LYS 7 H LYS 7 9.935 8.831 8.831
55 HA LYS 7 HA LYS 7 8.159 11.055 11.055
56 1HB LYS 7 2HB LYS 7 8.057 11.594 11.594
57 2HB LYS 7 1HB LYS 7 9.783 11.338 11.338
58 1HG LYS 7 2HG LYS 7 7.913 9.507 9.507
59 2HG LYS 7 1HG LYS 7 9.194 10.555 10.555
60 1HD LYS 7 2HD LYS 7 10.985 9.193 9.193
61 2HD LYS 7 1HD LYS 7 9.885 8.248 8.248
62 1HE LYS 7 2HE LYS 7 9.868 8.111 8.111
63 2HE LYS 7 1HE LYS 7 10.565 6.900 6.900
64 1HZ LYS 7 3HZ LYS 7 8.235 6.887 6.887
65 2HZ LYS 7 2HZ LYS 7 7.733 7.657 7.657
66 3HZ LYS 7 1HZ LYS 7 8.457 6.115 6.115
67 H GLN 8 H GLN 8 5.912 10.738 10.738
68 HA GLN 8 HA GLN 8 4.640 8.522 8.522
69 1HB GLN 8 2HB GLN 8 5.560 7.471 7.471
70 2HB GLN 8 1HB GLN 8 4.830 8.764 8.764
71 1HG GLN 8 2HG GLN 8 2.514 7.943 7.943
72 2HG GLN 8 1HG GLN 8 3.356 6.681 6.681
73 1HE2 GLN 8 2HE2 GLN 8 2.435 5.356 5.356
74 2HE2 GLN 8 1HE2 GLN 8 1.480 6.274 6.274
75 H ALA 9 H ALA 9 2.300 9.139 9.139
76 HA ALA 9 HA ALA 9 1.833 11.960 11.960
77 1HB ALA 9 3HB ALA 9 1.252 11.517 11.517
78 2HB ALA 9 2HB ALA 9 0.145 10.198 10.198
79 3HB ALA 9 1HB ALA 9 -0.201 11.908 11.908
80 H SER 10 H SER 10 1.586 11.457 11.457
81 HA SER 10 HA SER 10 -0.876 10.482 10.482
82 1HB SER 10 2HB SER 10 1.511 8.499 8.499
83 2HB SER 10 1HB SER 10 -0.037 8.381 8.381
84 HG SER 10 HG SER 10 -0.383 8.450 8.450
85 H GLN 11 H GLN 11 -0.367 9.938 9.938
86 HA GLN 11 HA GLN 11 0.365 12.264 12.264
87 1HB GLN 11 2HB GLN 11 0.035 11.058 11.058
88 2HB GLN 11 1HB GLN 11 -1.252 10.784 10.784
89 1HG GLN 11 2HG GLN 11 -0.218 8.512 8.512
90 2HG GLN 11 1HG GLN 11 0.937 8.738 8.738
91 1HE2 GLN 11 2HE2 GLN 11 -2.367 7.027 7.027
92 2HE2 GLN 11 1HE2 GLN 11 -1.387 6.740 6.740
93 H ASP 12 H ASP 12 2.457 9.583 9.583
94 HA ASP 12 HA ASP 12 4.743 10.174 10.174
95 1HB ASP 12 2HB ASP 12 4.093 8.753 8.753
96 2HB ASP 12 1HB ASP 12 5.822 8.989 8.989
97 H ALA 13 H ALA 13 3.338 11.890 11.890
98 HA ALA 13 HA ALA 13 5.949 13.228 13.228
99 1HB ALA 13 2HB ALA 13 3.424 13.079 13.079
100 2HB ALA 13 1HB ALA 13 4.845 14.160 14.160
101 3HB ALA 13 3HB ALA 13 5.056 12.392 12.392
102 H GLU 14 H GLU 14 2.670 13.691 13.691
103 HA GLU 14 HA GLU 14 2.672 16.507 16.507
104 1HB GLU 14 2HB GLU 14 0.676 14.961 14.961
105 2HB GLU 14 1HB GLU 14 0.971 14.413 14.413
106 1HG GLU 14 2HG GLU 14 0.565 16.828 16.828
107 2HG GLU 14 1HG GLU 14 0.190 17.260 17.260
108 H GLN 15 H GLN 15 3.566 13.855 13.855
109 HA GLN 15 HA GLN 15 4.237 15.611 15.611
110 1HB GLN 15 2HB GLN 15 3.462 13.212 13.212
111 2HB GLN 15 1HB GLN 15 5.076 12.652 12.652
112 1HG GLN 15 2HG GLN 15 4.720 14.662 14.662
113 2HG GLN 15 1HG GLN 15 4.252 12.944 12.944
114 1HE2 GLN 15 2HE2 GLN 15 8.224 13.893 13.893
115 2HE2 GLN 15 1HE2 GLN 15 7.200 14.954 14.954
116 H ALA 16 H ALA 16 6.022 14.017 14.017
117 HA ALA 16 HA ALA 16 8.595 14.755 14.755
118 1HB ALA 16 1HB ALA 16 8.263 12.806 12.806
119 2HB ALA 16 3HB ALA 16 7.831 13.887 13.887
120 3HB ALA 16 2HB ALA 16 9.490 13.936 13.936
121 H ALA 17 H ALA 17 6.275 16.303 16.303
122 HA ALA 17 HA ALA 17 7.822 18.530 18.530
123 1HB ALA 17 3HB ALA 17 4.754 18.188 18.188
124 2HB ALA 17 2HB ALA 17 5.557 19.574 19.574
125 3HB ALA 17 1HB ALA 17 5.741 17.909 17.909
126 H LYS 18 H LYS 18 6.363 17.769 17.769
127 HA LYS 18 HA LYS 18 5.884 20.518 20.518
128 1HB LYS 18 2HB LYS 18 4.409 18.406 18.406
129 2HB LYS 18 1HB LYS 18 5.538 18.076 18.076
130 1HG LYS 18 2HG LYS 18 4.923 20.708 20.708
131 2HG LYS 18 1HG LYS 18 3.523 20.311 20.311
132 1HD LYS 18 2HD LYS 18 2.948 18.398 18.398
133 2HD LYS 18 1HD LYS 18 4.398 18.846 18.846
134 1HE LYS 18 2HE LYS 18 3.373 21.200 21.200
135 2HE LYS 18 1HE LYS 18 1.829 20.580 20.580
136 1HZ LYS 18 2HZ LYS 18 3.237 19.524 19.524
137 2HZ LYS 18 1HZ LYS 18 1.884 20.545 20.545
138 3HZ LYS 18 3HZ LYS 18 1.735 18.967 18.967
139 H ASP 19 H ASP 19 8.395 18.171 18.171
140 HA ASP 19 HA ASP 19 9.711 19.197 19.197
141 1HB ASP 19 2HB ASP 19 9.745 16.776 16.776
142 2HB ASP 19 1HB ASP 19 10.815 17.172 17.172
143 H ALA 20 H ALA 20 9.508 20.363 20.363
144 HA ALA 20 HA ALA 20 12.258 21.251 21.251
145 1HB ALA 20 1HB ALA 20 9.744 21.650 21.650
146 2HB ALA 20 3HB ALA 20 11.431 22.102 22.102
147 3HB ALA 20 2HB ALA 20 10.988 20.388 20.388
148 H GLU 21 H GLU 21 9.174 22.564 22.564
149 HA GLU 21 HA GLU 21 10.095 25.336 25.336
150 1HB GLU 21 2HB GLU 21 7.701 25.835 25.835
151 2HB GLU 21 1HB GLU 21 7.752 24.738 24.738
152 1HG GLU 21 2HG GLU 21 7.291 22.767 22.767
153 2HG GLU 21 1HG GLU 21 7.076 23.949 23.949
154 H ASN 22 H ASN 22 9.403 22.582 22.582
155 HA ASN 22 HA ASN 22 9.293 24.078 24.078
156 1HB ASN 22 2HB ASN 22 8.909 21.114 21.114
157 2HB ASN 22 1HB ASN 22 9.024 21.714 21.714
158 1HD2 ASN 22 2HD2 ASN 22 5.484 22.044 22.044
159 2HD2 ASN 22 1HD2 ASN 22 6.773 21.069 21.069
160 H ALA 23 H ALA 23 11.693 22.469 22.469
161 HA ALA 23 HA ALA 23 13.558 21.770 21.770
162 1HB ALA 23 2HB ALA 23 14.070 22.780 22.780
163 2HB ALA 23 1HB ALA 23 15.301 21.948 21.948
164 3HB ALA 23 3HB ALA 23 13.823 21.083 21.083
165 H SER 24 H SER 24 13.049 25.073 25.073
166 HA SER 24 HA SER 24 15.098 26.106 26.106
167 1HB SER 24 2HB SER 24 15.056 27.051 27.051
168 2HB SER 24 1HB SER 24 13.338 27.583 27.583
169 HG SER 24 HG SER 24 14.373 28.764 28.764
170 H LYS 25 H LYS 25 11.875 25.212 25.212
171 HA LYS 25 HA LYS 25 11.271 27.269 27.269
172 1HB LYS 25 2HB LYS 25 9.640 25.710 25.710
173 2HB LYS 25 1HB LYS 25 8.988 25.578 25.578
174 1HG LYS 25 2HG LYS 25 7.985 27.311 27.311
175 2HG LYS 25 1HG LYS 25 8.774 27.944 27.944
176 1HD LYS 25 2HD LYS 25 10.704 28.832 28.832
177 2HD LYS 25 1HD LYS 25 10.024 28.039 28.039
178 1HE LYS 25 2HE LYS 25 9.670 30.536 30.536
179 2HE LYS 25 1HE LYS 25 8.100 29.625 29.625
180 1HZ LYS 25 3HZ LYS 25 9.413 30.645 30.645
181 2HZ LYS 25 2HZ LYS 25 8.123 31.413 31.413
182 3HZ LYS 25 1HZ LYS 25 7.902 29.892 29.892
183 H GLU 26 H GLU 26 12.937 24.393 24.393
184 HA GLU 26 HA GLU 26 11.597 22.952 22.952
185 1HB GLU 26 2HB GLU 26 12.836 22.148 22.148
186 2HB GLU 26 1HB GLU 26 14.383 22.492 22.492
187 1HG GLU 26 2HG GLU 26 13.850 20.121 20.121
188 2HG GLU 26 1HG GLU 26 13.688 20.703 20.703
189 H ALA 27 H ALA 27 13.739 25.550 25.550
190 HA ALA 27 HA ALA 27 14.108 25.004 25.004
191 1HB ALA 27 1HB ALA 27 14.912 27.442 27.442
192 2HB ALA 27 3HB ALA 27 15.211 27.284 27.284
193 3HB ALA 27 2HB ALA 27 15.998 26.162 26.162
194 H GLU 28 H GLU 28 11.746 26.401 26.401
195 HA GLU 28 HA GLU 28 10.958 28.578 28.578
196 1HB GLU 28 2HB GLU 28 11.507 28.940 28.940
197 2HB GLU 28 1HB GLU 28 10.069 28.018 28.018
198 1HG GLU 28 2HG GLU 28 8.581 29.763 29.763
199 2HG GLU 28 1HG GLU 28 9.665 30.273 30.273
200 H GLU 29 H GLU 29 9.837 25.465 25.465
201 HA GLU 29 HA GLU 29 7.205 25.510 25.510
202 1HB GLU 29 2HB GLU 29 9.113 23.104 23.104
203 2HB GLU 29 1HB GLU 29 7.340 22.963 22.963
204 1HG GLU 29 2HG GLU 29 8.602 24.435 24.435
205 2HG GLU 29 1HG GLU 29 8.186 22.688 22.688
206 H ALA 30 H ALA 30 10.361 25.154 25.154
207 HA ALA 30 HA ALA 30 9.594 23.872 23.872
208 1HB ALA 30 2HB ALA 30 11.760 23.248 23.248
209 2HB ALA 30 1HB ALA 30 12.369 24.928 24.928
210 3HB ALA 30 3HB ALA 30 12.002 23.937 23.937
211 H ALA 31 H ALA 31 10.623 27.183 27.183
212 HA ALA 31 HA ALA 31 10.084 28.260 28.260
213 1HB ALA 31 2HB ALA 31 11.979 29.216 29.216
214 2HB ALA 31 1HB ALA 31 10.857 29.764 29.764
215 3HB ALA 31 3HB ALA 31 10.746 30.459 30.459
216 H LYS 32 H LYS 32 7.988 26.886 26.886
217 HA LYS 32 HA LYS 32 5.926 28.983 28.983
218 1HB LYS 32 2HB LYS 32 6.751 27.261 27.261
219 2HB LYS 32 1HB LYS 32 5.232 26.520 26.520
220 1HG LYS 32 2HG LYS 32 5.746 29.477 29.477
221 2HG LYS 32 1HG LYS 32 5.179 28.164 28.164
222 1HD LYS 32 2HD LYS 32 3.617 29.251 29.251
223 2HD LYS 32 1HD LYS 32 3.364 29.637 29.637
224 1HE LYS 32 2HE LYS 32 3.040 27.075 27.075
225 2HE LYS 32 1HE LYS 32 2.967 26.898 26.898
226 1HZ LYS 32 1HZ LYS 32 1.263 28.640 28.640
227 2HZ LYS 32 3HZ LYS 32 0.844 27.115 27.115
228 3HZ LYS 32 2HZ LYS 32 1.042 28.465 28.465
229 H GLU 33 H GLU 33 5.784 25.355 25.355
230 HA GLU 33 HA GLU 33 3.593 25.754 25.754
231 1HB GLU 33 2HB GLU 33 3.001 23.380 23.380
232 2HB GLU 33 1HB GLU 33 3.005 24.570 24.570
233 1HG GLU 33 2HG GLU 33 4.865 23.713 23.713
234 2HG GLU 33 1HG GLU 33 5.507 22.849 22.849
235 H ALA 34 H ALA 34 6.807 24.920 24.920
236 HA ALA 34 HA ALA 34 6.475 23.378 23.378
237 1HB ALA 34 3HB ALA 34 9.029 24.181 24.181
238 2HB ALA 34 2HB ALA 34 8.978 23.190 23.190
239 3HB ALA 34 1HB ALA 34 8.233 22.570 22.570
240 H VAL 35 H VAL 35 6.276 26.546 26.546
241 HA VAL 35 HA VAL 35 7.646 27.607 27.607
242 HB VAL 35 HB VAL 35 7.447 28.924 28.924
243 1HG1 VAL 35 1HG1 VAL 35 8.705 29.934 29.934
244 2HG1 VAL 35 3HG1 VAL 35 8.924 30.702 30.702
245 3HG1 VAL 35 2HG1 VAL 35 7.313 30.707 30.707
246 1HG2 VAL 35 3HG2 VAL 35 9.795 27.743 27.743
247 2HG2 VAL 35 2HG2 VAL 35 9.137 27.098 27.098
248 3HG2 VAL 35 1HG2 VAL 35 9.955 28.701 28.701
249 H ASN 36 H ASN 36 5.124 28.564 28.564
250 HA ASN 36 HA ASN 36 3.888 30.159 30.159
251 1HB ASN 36 2HB ASN 36 3.084 31.698 31.698
252 2HB ASN 36 1HB ASN 36 4.849 31.660 31.660
253 1HD2 ASN 36 2HD2 ASN 36 5.617 30.098 30.098
254 2HD2 ASN 36 1HD2 ASN 36 6.227 31.011 31.011
255 H LEU 37 H LEU 37 3.157 27.953 27.953
256 HA LEU 37 HA LEU 37 1.613 26.459 26.459
257 1HB LEU 37 2HB LEU 37 1.585 26.810 26.810
258 2HB LEU 37 1HB LEU 37 -0.108 26.632 26.632
259 HG LEU 37 HG LEU 37 1.676 24.675 24.675
260 1HD1 LEU 37 2HD1 LEU 37 1.675 24.767 24.767
261 2HD1 LEU 37 1HD1 LEU 37 2.240 23.374 23.374
262 3HD1 LEU 37 3HD1 LEU 37 3.080 24.958 24.958
263 1HD2 LEU 37 2HD2 LEU 37 -0.814 24.523 24.523
264 2HD2 LEU 37 1HD2 LEU 37 -0.003 23.070 23.070
265 3HD2 LEU 37 3HD2 LEU 37 -0.730 24.324 24.324
266 H LYS 38 HN LYS 38 1.197 29.264 29.264
267 HA LYS 38 HA LYS 38 -1.660 29.128 29.128
268 1HB LYS 38 2HB LYS 38 -1.080 30.618 30.618
269 2HB LYS 38 1HB LYS 38 -0.242 31.699 31.699
270 1HG LYS 38 2HG LYS 38 -2.524 31.738 31.738
271 2HG LYS 38 1HG LYS 38 -3.224 30.932 30.932
272 1HD LYS 38 2HD LYS 38 -1.797 33.657 33.657
273 2HD LYS 38 1HD LYS 38 -3.570 33.383 33.383
274 1HE LYS 38 2HE LYS 38 -3.193 32.310 32.310
275 2HE LYS 38 1HE LYS 38 -1.427 32.673 32.673
276 1HZ LYS 38 1HZ LYS 38 -2.074 35.050 35.050
277 2HZ LYS 38 3HZ LYS 38 -3.673 34.604 34.604
278 3HZ LYS 38 2HZ LYS 38 -2.469 34.368 34.368
Start of MODEL 20
1 1H GLU 1 1H GLU 1 1.857 -2.031 -2.031
2 2H GLU 1 3H GLU 1 2.579 -3.579 -3.579
3 3H GLU 1 2H GLU 1 1.778 -2.861 -2.861
4 HA GLU 1 HA GLU 1 0.364 -4.534 -4.534
5 1HB GLU 1 2HB GLU 1 1.116 -3.055 -3.055
6 2HB GLU 1 1HB GLU 1 -0.236 -4.211 -4.211
7 1HG GLU 1 2HG GLU 1 1.609 -5.245 -5.245
8 2HG GLU 1 1HG GLU 1 1.216 -6.097 -6.097
9 H ALA 2 H ALA 2 -0.773 -2.970 -2.970
10 HA ALA 2 HA ALA 2 -2.595 -1.911 -1.911
11 1HB ALA 2 3HB ALA 2 -3.270 -1.774 -1.774
12 2HB ALA 2 2HB ALA 2 -4.307 -1.026 -1.026
13 3HB ALA 2 1HB ALA 2 -4.009 -2.776 -2.776
14 H TYR 3 H TYR 3 0.150 -0.425 -0.425
15 HA TYR 3 HA TYR 3 -0.737 2.150 2.150
16 1HB TYR 3 2HB TYR 3 -1.016 1.476 1.476
17 2HB TYR 3 1HB TYR 3 0.526 2.359 2.359
18 HD1 TYR 3 HD2 TYR 3 -3.126 2.512 2.512
19 HD2 TYR 3 HD1 TYR 3 0.548 4.728 4.728
20 HE1 TYR 3 HE2 TYR 3 -4.408 4.609 4.609
21 HE2 TYR 3 HE1 TYR 3 -0.710 6.841 6.841
22 HH TYR 3 HH TYR 3 -2.826 7.794 7.794
23 H LYS 4 H LYS 4 1.431 3.484 3.484
24 HA LYS 4 HA LYS 4 3.820 1.828 1.828
25 1HB LYS 4 2HB LYS 4 3.249 3.578 3.578
26 2HB LYS 4 1HB LYS 4 4.726 2.639 2.639
27 1HG LYS 4 2HG LYS 4 3.797 1.168 1.168
28 2HG LYS 4 1HG LYS 4 3.123 0.560 0.560
29 1HD LYS 4 2HD LYS 4 1.224 0.513 0.513
30 2HD LYS 4 1HD LYS 4 1.027 2.119 2.119
31 1HE LYS 4 2HE LYS 4 1.961 1.440 1.440
32 2HE LYS 4 1HE LYS 4 0.486 2.357 2.357
33 1HZ LYS 4 1HZ LYS 4 3.237 3.238 3.238
34 2HZ LYS 4 3HZ LYS 4 2.451 3.695 3.695
35 3HZ LYS 4 2HZ LYS 4 1.815 4.150 4.150
36 H LYS 5 H LYS 5 4.307 3.050 3.050
37 HA LYS 5 HA LYS 5 5.124 5.709 5.709
38 1HB LYS 5 2HB LYS 5 2.621 4.981 4.981
39 2HB LYS 5 1HB LYS 5 3.695 6.275 6.275
40 1HG LYS 5 2HG LYS 5 2.167 6.250 6.250
41 2HG LYS 5 1HG LYS 5 1.716 7.169 7.169
42 1HD LYS 5 2HD LYS 5 4.505 7.695 7.695
43 2HD LYS 5 1HD LYS 5 3.067 8.154 8.154
44 1HE LYS 5 2HE LYS 5 3.851 10.108 10.108
45 2HE LYS 5 1HE LYS 5 2.213 9.584 9.584
46 1HZ LYS 5 3HZ LYS 5 3.574 8.281 8.281
47 2HZ LYS 5 2HZ LYS 5 4.801 9.434 9.434
48 3HZ LYS 5 1HZ LYS 5 3.258 9.917 9.917
49 H ALA 6 H ALA 6 6.086 6.123 6.123
50 HA ALA 6 HA ALA 6 7.459 3.732 3.732
51 1HB ALA 6 1HB ALA 6 7.721 6.728 6.728
52 2HB ALA 6 3HB ALA 6 8.843 5.403 5.403
53 3HB ALA 6 2HB ALA 6 8.714 5.859 5.859
54 H LYS 7 H LYS 7 5.321 6.278 6.278
55 HA LYS 7 HA LYS 7 4.913 4.913 4.913
56 1HB LYS 7 2HB LYS 7 4.693 7.782 7.782
57 2HB LYS 7 1HB LYS 7 3.572 7.349 7.349
58 1HG LYS 7 2HG LYS 7 5.350 8.423 8.423
59 2HG LYS 7 1HG LYS 7 5.424 6.685 6.685
60 1HD LYS 7 2HD LYS 7 7.357 6.387 6.387
61 2HD LYS 7 1HD LYS 7 7.123 8.069 8.069
62 1HE LYS 7 2HE LYS 7 9.067 7.963 7.963
63 2HE LYS 7 1HE LYS 7 7.733 9.023 9.023
64 1HZ LYS 7 1HZ LYS 7 6.977 6.963 6.963
65 2HZ LYS 7 3HZ LYS 7 8.502 6.298 6.298
66 3HZ LYS 7 2HZ LYS 7 8.383 7.723 7.723
67 H GLN 8 H GLN 8 2.575 5.280 5.280
68 HA GLN 8 HA GLN 8 0.798 4.085 4.085
69 1HB GLN 8 2HB GLN 8 1.383 3.629 3.629
70 2HB GLN 8 1HB GLN 8 -0.340 3.459 3.459
71 1HG GLN 8 2HG GLN 8 0.848 1.285 1.285
72 2HG GLN 8 1HG GLN 8 0.032 1.748 1.748
73 1HE2 GLN 8 2HE2 GLN 8 4.108 1.206 1.206
74 2HE2 GLN 8 1HE2 GLN 8 3.375 1.349 1.349
75 H ALA 9 H ALA 9 1.278 6.998 6.998
76 HA ALA 9 HA ALA 9 -1.521 7.814 7.814
77 1HB ALA 9 1HB ALA 9 -0.593 8.014 8.014
78 2HB ALA 9 3HB ALA 9 0.728 9.081 9.081
79 3HB ALA 9 2HB ALA 9 -1.005 9.614 9.614
80 H SER 10 H SER 10 -0.972 10.581 10.581
81 HA SER 10 HA SER 10 0.408 10.882 10.882
82 1HB SER 10 2HB SER 10 -2.447 11.852 11.852
83 2HB SER 10 1HB SER 10 -1.581 12.276 12.276
84 HG SER 10 HG SER 10 -1.356 9.887 9.887
85 H GLN 11 H GLN 11 1.289 11.551 11.551
86 HA GLN 11 HA GLN 11 1.450 14.423 14.423
87 1HB GLN 11 2HB GLN 11 3.118 13.902 13.902
88 2HB GLN 11 1HB GLN 11 1.595 12.988 12.988
89 1HG GLN 11 2HG GLN 11 2.612 10.888 10.888
90 2HG GLN 11 1HG GLN 11 4.191 11.695 11.695
91 1HE2 GLN 11 2HE2 GLN 11 4.849 12.101 12.101
92 2HE2 GLN 11 1HE2 GLN 11 5.151 12.876 12.876
93 H ASP 12 H ASP 12 3.025 11.849 11.849
94 HA ASP 12 HA ASP 12 5.661 12.877 12.877
95 1HB ASP 12 2HB ASP 12 5.095 10.678 10.678
96 2HB ASP 12 1HB ASP 12 4.197 10.140 10.140
97 H ALA 13 H ALA 13 2.594 12.769 12.769
98 HA ALA 13 HA ALA 13 3.331 12.701 12.701
99 1HB ALA 13 2HB ALA 13 0.596 12.903 12.903
100 2HB ALA 13 1HB ALA 13 0.783 12.824 12.824
101 3HB ALA 13 3HB ALA 13 1.288 11.443 11.443
102 H GLU 14 H GLU 14 2.376 14.874 14.874
103 HA GLU 14 HA GLU 14 1.892 17.180 17.180
104 1HB GLU 14 2HB GLU 14 1.147 16.252 16.252
105 2HB GLU 14 1HB GLU 14 2.085 17.722 17.722
106 1HG GLU 14 2HG GLU 14 0.267 18.430 18.430
107 2HG GLU 14 1HG GLU 14 -0.657 17.250 17.250
108 H GLN 15 H GLN 15 4.346 15.897 15.897
109 HA GLN 15 HA GLN 15 5.854 18.342 18.342
110 1HB GLN 15 2HB GLN 15 5.364 16.665 16.665
111 2HB GLN 15 1HB GLN 15 6.901 15.943 15.943
112 1HG GLN 15 2HG GLN 15 7.369 17.578 17.578
113 2HG GLN 15 1HG GLN 15 7.900 18.304 18.304
114 1HE2 GLN 15 2HE2 GLN 15 5.938 21.147 21.147
115 2HE2 GLN 15 1HE2 GLN 15 7.440 20.465 20.465
116 H ALA 16 H ALA 16 5.830 15.770 15.770
117 HA ALA 16 HA ALA 16 8.645 15.821 15.821
118 1HB ALA 16 2HB ALA 16 7.396 13.651 13.651
119 2HB ALA 16 1HB ALA 16 6.363 14.290 14.290
120 3HB ALA 16 3HB ALA 16 8.141 14.077 14.077
121 H ALA 17 H ALA 17 5.813 17.671 17.671
122 HA ALA 17 HA ALA 17 6.804 18.402 18.402
123 1HB ALA 17 2HB ALA 17 4.376 18.147 18.147
124 2HB ALA 17 1HB ALA 17 4.403 19.449 19.449
125 3HB ALA 17 3HB ALA 17 4.760 19.827 19.827
126 H LYS 18 H LYS 18 6.793 19.518 19.518
127 HA LYS 18 HA LYS 18 7.719 22.249 22.249
128 1HB LYS 18 2HB LYS 18 7.098 20.799 20.799
129 2HB LYS 18 1HB LYS 18 7.345 22.576 22.576
130 1HG LYS 18 2HG LYS 18 5.250 22.867 22.867
131 2HG LYS 18 1HG LYS 18 5.078 21.113 21.113
132 1HD LYS 18 2HD LYS 18 5.050 20.612 20.612
133 2HD LYS 18 1HD LYS 18 4.859 22.316 22.316
134 1HE LYS 18 2HE LYS 18 2.893 20.863 20.863
135 2HE LYS 18 1HE LYS 18 2.997 20.280 20.280
136 1HZ LYS 18 3HZ LYS 18 2.282 22.623 22.623
137 2HZ LYS 18 2HZ LYS 18 1.758 22.765 22.765
138 3HZ LYS 18 1HZ LYS 18 1.271 21.416 21.416
139 H ASP 19 H ASP 19 9.151 19.260 19.260
140 HA ASP 19 HA ASP 19 11.146 19.212 19.212
141 1HB ASP 19 2HB ASP 19 12.266 17.532 17.532
142 2HB ASP 19 1HB ASP 19 10.490 17.373 17.373
143 H ALA 20 H ALA 20 11.490 21.427 21.427
144 HA ALA 20 HA ALA 20 14.333 21.842 21.842
145 1HB ALA 20 1HB ALA 20 13.400 22.196 22.196
146 2HB ALA 20 3HB ALA 20 12.364 23.540 23.540
147 3HB ALA 20 2HB ALA 20 14.163 23.690 23.690
148 H GLU 21 H GLU 21 11.246 23.219 23.219
149 HA GLU 21 HA GLU 21 12.533 25.442 25.442
150 1HB GLU 21 2HB GLU 21 9.569 24.653 24.653
151 2HB GLU 21 1HB GLU 21 10.237 26.136 26.136
152 1HG GLU 21 2HG GLU 21 10.911 27.005 27.005
153 2HG GLU 21 1HG GLU 21 10.183 25.541 25.541
154 H ASN 22 H ASN 22 11.544 22.133 22.133
155 HA ASN 22 HA ASN 22 10.722 22.082 22.082
156 1HB ASN 22 2HB ASN 22 10.683 20.253 20.253
157 2HB ASN 22 1HB ASN 22 12.241 19.650 19.650
158 1HD2 ASN 22 2HD2 ASN 22 9.897 17.757 17.757
159 2HD2 ASN 22 1HD2 ASN 22 10.597 17.649 17.649
160 H ALA 23 H ALA 23 13.912 22.397 22.397
161 HA ALA 23 HA ALA 23 15.348 21.676 21.676
162 1HB ALA 23 3HB ALA 23 16.349 21.993 21.993
163 2HB ALA 23 2HB ALA 23 16.266 23.774 23.774
164 3HB ALA 23 1HB ALA 23 17.302 22.755 22.755
165 H SER 24 H SER 24 13.867 24.862 24.862
166 HA SER 24 HA SER 24 14.892 25.806 25.806
167 1HB SER 24 2HB SER 24 14.359 27.373 27.373
168 2HB SER 24 1HB SER 24 13.344 28.037 28.037
169 HG SER 24 HG SER 24 15.310 28.054 28.054
170 H LYS 25 H LYS 25 11.766 24.860 24.860
171 HA LYS 25 HA LYS 25 10.057 25.579 25.579
172 1HB LYS 25 2HB LYS 25 10.513 23.540 23.540
173 2HB LYS 25 1HB LYS 25 9.392 22.859 22.859
174 1HG LYS 25 2HG LYS 25 9.146 25.504 25.504
175 2HG LYS 25 1HG LYS 25 8.282 23.971 23.971
176 1HD LYS 25 2HD LYS 25 7.115 23.949 23.949
177 2HD LYS 25 1HD LYS 25 7.999 25.181 25.181
178 1HE LYS 25 2HE LYS 25 6.105 25.797 25.797
179 2HE LYS 25 1HE LYS 25 5.847 26.272 26.272
180 1HZ LYS 25 1HZ LYS 25 8.335 27.138 27.138
181 2HZ LYS 25 3HZ LYS 25 6.952 27.935 27.935
182 3HZ LYS 25 2HZ LYS 25 7.408 28.011 28.011
183 H GLU 26 H GLU 26 12.515 23.300 23.300
184 HA GLU 26 HA GLU 26 11.248 21.527 21.527
185 1HB GLU 26 2HB GLU 26 13.438 21.446 21.446
186 2HB GLU 26 1HB GLU 26 14.297 21.917 21.917
187 1HG GLU 26 2HG GLU 26 13.024 19.918 19.918
188 2HG GLU 26 1HG GLU 26 12.486 19.527 19.527
189 H ALA 27 H ALA 27 12.307 24.636 24.636
190 HA ALA 27 HA ALA 27 12.478 24.427 24.427
191 1HB ALA 27 1HB ALA 27 12.736 26.824 26.824
192 2HB ALA 27 3HB ALA 27 12.939 26.935 26.935
193 3HB ALA 27 2HB ALA 27 14.067 25.938 25.938
194 H GLU 28 H GLU 28 10.423 25.798 25.798
195 HA GLU 28 HA GLU 28 8.439 27.102 27.102
196 1HB GLU 28 2HB GLU 28 8.538 26.107 26.107
197 2HB GLU 28 1HB GLU 28 7.125 27.007 27.007
198 1HG GLU 28 2HG GLU 28 8.422 29.097 29.097
199 2HG GLU 28 1HG GLU 28 9.924 28.236 28.236
200 H GLU 29 H GLU 29 8.828 23.698 23.698
201 HA GLU 29 HA GLU 29 6.234 22.791 22.791
202 1HB GLU 29 2HB GLU 29 8.997 21.499 21.499
203 2HB GLU 29 1HB GLU 29 7.750 20.610 20.610
204 1HG GLU 29 2HG GLU 29 7.478 19.468 19.468
205 2HG GLU 29 1HG GLU 29 6.295 20.778 20.778
206 H ALA 30 H ALA 30 8.695 22.744 22.744
207 HA ALA 30 HA ALA 30 6.794 22.398 22.398
208 1HB ALA 30 1HB ALA 30 9.842 22.812 22.812
209 2HB ALA 30 3HB ALA 30 8.994 22.770 22.770
210 3HB ALA 30 2HB ALA 30 8.949 21.340 21.340
211 H ALA 31 H ALA 31 8.817 25.097 25.097
212 HA ALA 31 HA ALA 31 7.931 26.930 26.930
213 1HB ALA 31 3HB ALA 31 10.183 27.013 27.013
214 2HB ALA 31 2HB ALA 31 9.394 27.664 27.664
215 3HB ALA 31 1HB ALA 31 9.308 28.582 28.582
216 H LYS 32 H LYS 32 5.895 25.713 25.713
217 HA LYS 32 HA LYS 32 4.267 28.129 28.129
218 1HB LYS 32 2HB LYS 32 2.916 27.881 27.881
219 2HB LYS 32 1HB LYS 32 4.619 27.811 27.811
220 1HG LYS 32 2HG LYS 32 3.887 26.115 26.115
221 2HG LYS 32 1HG LYS 32 4.244 25.161 25.161
222 1HD LYS 32 2HD LYS 32 1.659 25.386 25.386
223 2HD LYS 32 1HD LYS 32 1.534 26.113 26.113
224 1HE LYS 32 2HE LYS 32 0.914 23.677 23.677
225 2HE LYS 32 1HE LYS 32 2.356 24.060 24.060
226 1HZ LYS 32 2HZ LYS 32 3.710 23.270 23.270
227 2HZ LYS 32 1HZ LYS 32 2.416 22.398 22.398
228 3HZ LYS 32 3HZ LYS 32 2.988 22.162 22.162
229 H GLU 33 H GLU 33 4.898 25.149 25.149
230 HA GLU 33 HA GLU 33 2.006 24.874 24.874
231 1HB GLU 33 2HB GLU 33 4.202 22.828 22.828
232 2HB GLU 33 1HB GLU 33 2.758 22.652 22.652
233 1HG GLU 33 2HG GLU 33 1.172 22.733 22.733
234 2HG GLU 33 1HG GLU 33 2.352 23.419 23.419
235 H ALA 34 H ALA 34 5.161 25.481 25.481
236 HA ALA 34 HA ALA 34 3.523 26.058 26.058
237 1HB ALA 34 2HB ALA 34 5.698 24.696 24.696
238 2HB ALA 34 1HB ALA 34 6.633 26.127 26.127
239 3HB ALA 34 3HB ALA 34 5.738 26.152 26.152
240 H VAL 35 H VAL 35 5.213 27.916 27.916
241 HA VAL 35 HA VAL 35 5.341 30.240 30.240
242 HB VAL 35 HB VAL 35 6.811 29.583 29.583
243 1HG1 VAL 35 2HG1 VAL 35 7.203 31.834 31.834
244 2HG1 VAL 35 1HG1 VAL 35 8.317 31.485 31.485
245 3HG1 VAL 35 3HG1 VAL 35 6.660 32.079 32.079
246 1HG2 VAL 35 2HG2 VAL 35 7.521 29.317 29.317
247 2HG2 VAL 35 1HG2 VAL 35 7.542 28.023 28.023
248 3HG2 VAL 35 3HG2 VAL 35 8.750 29.332 29.332
249 H ASN 36 H ASN 36 3.216 29.017 29.017
250 HA ASN 36 HA ASN 36 1.674 31.236 31.236
251 1HB ASN 36 2HB ASN 36 1.569 32.092 32.092
252 2HB ASN 36 1HB ASN 36 3.116 32.484 32.484
253 1HD2 ASN 36 2HD2 ASN 36 5.020 30.047 30.047
254 2HD2 ASN 36 1HD2 ASN 36 4.973 30.915 30.915
255 H LEU 37 H LEU 37 0.115 30.767 30.767
256 HA LEU 37 HA LEU 37 -0.257 28.069 28.069
257 1HB LEU 37 2HB LEU 37 -2.608 28.007 28.007
258 2HB LEU 37 1HB LEU 37 -1.077 27.466 27.466
259 HG LEU 37 HG LEU 37 -0.818 29.420 29.420
260 1HD1 LEU 37 1HD1 LEU 37 -3.364 30.596 30.596
261 2HD1 LEU 37 3HD1 LEU 37 -2.487 31.262 31.262
262 3HD1 LEU 37 2HD1 LEU 37 -1.705 31.253 31.253
263 1HD2 LEU 37 1HD2 LEU 37 -3.022 27.595 27.595
264 2HD2 LEU 37 3HD2 LEU 37 -2.002 28.416 28.416
265 3HD2 LEU 37 2HD2 LEU 37 -3.503 29.214 29.214
266 H LYS 38 HN LYS 38 0.236 30.153 30.153
267 HA LYS 38 HA LYS 38 -2.284 31.093 31.093
268 1HB LYS 38 2HB LYS 38 -0.985 32.612 32.612
269 2HB LYS 38 1HB LYS 38 -0.239 32.603 32.603
270 1HG LYS 38 2HG LYS 38 1.711 32.443 32.443
271 2HG LYS 38 1HG LYS 38 1.321 30.714 30.714
272 1HD LYS 38 2HD LYS 38 -0.175 31.395 31.395
273 2HD LYS 38 1HD LYS 38 1.283 32.406 32.406
274 1HE LYS 38 2HE LYS 38 2.745 30.445 30.445
275 2HE LYS 38 1HE LYS 38 1.487 29.400 29.400
276 1HZ LYS 38 3HZ LYS 38 1.071 30.576 30.576
277 2HZ LYS 38 2HZ LYS 38 1.807 29.060 29.060
278 3HZ LYS 38 1HZ LYS 38 0.211 29.355 29.355
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