Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16434 | 2a37 RC | 5923 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1H MET 1 1.125 -9.819 -3.048
2 2H MET 1 2H MET 1 0.842 -10.986 -4.274
3 3H MET 1 3H MET 1 -0.037 -11.058 -2.805
4 HA MET 1 HA MET 1 -0.172 -8.794 -4.658
5 1HB MET 1 1HB MET 1 -1.908 -11.262 -4.370
6 2HB MET 1 2HB MET 1 -2.408 -9.830 -5.254
7 1HG MET 1 1HG MET 1 -0.985 -10.226 -6.999
8 2HG MET 1 2HG MET 1 0.149 -11.148 -6.015
9 1HE MET 1 1HE MET 1 -2.590 -13.664 -4.943
10 2HE MET 1 2HE MET 1 -1.001 -13.003 -4.559
11 3HE MET 1 3HE MET 1 -1.134 -14.462 -5.541
12 H GLU 2 H GLU 2 -0.647 -10.008 -1.580
13 HA GLU 2 HA GLU 2 -2.543 -7.845 -1.042
14 1HB GLU 2 1HB GLU 2 -2.530 -10.631 0.020
15 2HB GLU 2 2HB GLU 2 -3.050 -9.340 1.092
16 1HG GLU 2 1HG GLU 2 -4.972 -8.992 -0.035
17 2HG GLU 2 2HG GLU 2 -4.260 -9.387 -1.599
18 H ALA 3 H ALA 3 -2.131 -6.603 0.850
19 HA ALA 3 HA ALA 3 0.143 -7.363 2.516
20 1HB ALA 3 1HB ALA 3 0.585 -5.661 0.417
21 2HB ALA 3 2HB ALA 3 1.576 -5.785 1.869
22 3HB ALA 3 3HB ALA 3 0.313 -4.555 1.764
23 H ILE 4 H ILE 4 0.446 -6.002 4.346
24 HA ILE 4 HA ILE 4 -2.043 -4.692 5.199
25 HB ILE 4 HB ILE 4 -1.892 -6.925 6.212
26 1HG1 ILE 4 1HG1 ILE 4 -2.800 -4.765 7.371
27 2HG1 ILE 4 2HG1 ILE 4 -2.667 -6.268 8.276
28 1HG2 ILE 4 1HG2 ILE 4 0.206 -7.619 6.584
29 2HG2 ILE 4 2HG2 ILE 4 -0.067 -6.909 8.175
30 3HG2 ILE 4 3HG2 ILE 4 0.804 -6.000 6.940
31 1HD1 ILE 4 1HD1 ILE 4 -1.488 -5.185 9.788
32 2HD1 ILE 4 2HD1 ILE 4 -1.487 -3.734 8.791
33 3HD1 ILE 4 3HD1 ILE 4 -0.215 -4.936 8.592
34 H ALA 5 H ALA 5 -1.865 -2.837 6.339
35 HA ALA 5 HA ALA 5 0.605 -1.416 6.289
36 1HB ALA 5 1HB ALA 5 -0.620 0.433 6.821
37 2HB ALA 5 2HB ALA 5 -1.703 -0.456 7.893
38 3HB ALA 5 3HB ALA 5 -1.883 -0.595 6.142
39 H LYS 6 H LYS 6 2.187 -1.445 7.733
40 HA LYS 6 HA LYS 6 1.705 -2.588 10.390
41 1HB LYS 6 1HB LYS 6 3.951 -2.460 8.655
42 2HB LYS 6 2HB LYS 6 4.368 -1.557 10.106
43 1HG LYS 6 1HG LYS 6 3.104 -4.225 10.422
44 2HG LYS 6 2HG LYS 6 4.792 -4.146 9.915
45 1HD LYS 6 1HD LYS 6 5.257 -4.018 12.104
46 2HD LYS 6 2HD LYS 6 4.711 -2.344 11.982
47 1HE LYS 6 1HE LYS 6 2.729 -2.772 13.014
48 2HE LYS 6 2HE LYS 6 2.641 -4.423 12.403
49 1HZ LYS 6 1HZ LYS 6 4.520 -4.918 13.990
50 2HZ LYS 6 2HZ LYS 6 3.017 -4.601 14.698
51 3HZ LYS 6 3HZ LYS 6 4.217 -3.409 14.694
52 H HIS 7 H HIS 7 1.736 0.419 8.902
53 HA HIS 7 HA HIS 7 1.304 1.757 11.419
54 1HB HIS 7 1HB HIS 7 3.556 2.651 9.625
55 2HB HIS 7 2HB HIS 7 3.012 3.481 11.074
56 HD1 HIS 7 HD1 HIS 7 3.270 1.906 13.342
57 HD2 HIS 7 HD2 HIS 7 5.616 0.964 10.043
58 HE1 HIS 7 HE1 HIS 7 5.153 0.495 14.234
59 HE2 HIS 7 HE2 HIS 7 6.597 -0.004 12.231
60 H ASP 8 H ASP 8 1.088 4.178 10.923
61 HA ASP 8 HA ASP 8 -1.066 4.365 9.028
62 1HB ASP 8 1HB ASP 8 -1.458 5.435 11.102
63 2HB ASP 8 2HB ASP 8 0.115 6.222 11.085
64 H PHE 9 H PHE 9 -1.157 5.672 7.150
65 HA PHE 9 HA PHE 9 1.330 7.055 6.478
66 1HB PHE 9 1HB PHE 9 1.810 5.185 5.258
67 2HB PHE 9 2HB PHE 9 0.112 4.790 5.001
68 HD1 PHE 9 HD1 PHE 9 2.327 7.683 4.179
69 HD2 PHE 9 HD2 PHE 9 -0.490 4.800 2.853
70 HE1 PHE 9 HE1 PHE 9 2.468 8.601 1.900
71 HE2 PHE 9 HE2 PHE 9 -0.362 5.693 0.574
72 HZ PHE 9 HZ PHE 9 1.120 7.581 0.111
73 H SER 10 H SER 10 1.097 8.927 5.522
74 HA SER 10 HA SER 10 -1.389 9.558 4.064
75 1HB SER 10 1HB SER 10 -0.298 11.969 5.016
76 2HB SER 10 2HB SER 10 -1.760 11.177 5.605
77 HG SER 10 HG SER 10 -0.500 10.097 7.138
78 H ALA 11 H ALA 11 -1.160 10.266 2.092
79 HA ALA 11 HA ALA 11 1.108 9.877 0.610
80 1HB ALA 11 1HB ALA 11 -0.183 11.606 -0.935
81 2HB ALA 11 2HB ALA 11 -1.463 11.263 0.228
82 3HB ALA 11 3HB ALA 11 -0.731 9.948 -0.687
83 H THR 12 H THR 12 2.777 10.967 -0.020
84 HA THR 12 HA THR 12 3.136 13.700 0.968
85 HB THR 12 HB THR 12 5.073 11.398 0.565
86 HG1 THR 12 HG1 THR 12 5.050 13.051 2.814
87 1HG2 THR 12 1HG2 THR 12 6.076 14.100 1.401
88 2HG2 THR 12 2HG2 THR 12 6.021 13.662 -0.304
89 3HG2 THR 12 3HG2 THR 12 6.966 12.692 0.821
90 H ALA 13 H ALA 13 2.108 12.321 -1.648
91 HA ALA 13 HA ALA 13 3.031 14.499 -3.339
92 1HB ALA 13 1HB ALA 13 3.128 11.993 -4.806
93 2HB ALA 13 2HB ALA 13 4.299 12.033 -3.489
94 3HB ALA 13 3HB ALA 13 4.317 13.295 -4.721
95 H ASP 14 H ASP 14 1.854 14.551 -5.359
96 HA ASP 14 HA ASP 14 -0.893 14.496 -4.879
97 1HB ASP 14 1HB ASP 14 0.701 15.761 -6.668
98 2HB ASP 14 2HB ASP 14 -0.084 14.584 -7.715
99 H ASP 15 H ASP 15 1.136 12.217 -6.539
100 HA ASP 15 HA ASP 15 -1.129 10.687 -7.543
101 1HB ASP 15 1HB ASP 15 1.641 11.073 -8.215
102 2HB ASP 15 2HB ASP 15 1.278 9.355 -8.079
103 H GLU 16 H GLU 16 -0.327 10.815 -4.602
104 HA GLU 16 HA GLU 16 0.283 7.992 -4.106
105 1HB GLU 16 1HB GLU 16 1.818 9.775 -3.301
106 2HB GLU 16 2HB GLU 16 0.516 10.395 -2.306
107 1HG GLU 16 1HG GLU 16 0.630 8.674 -0.831
108 2HG GLU 16 2HG GLU 16 1.302 7.557 -2.008
109 H LEU 17 H LEU 17 -0.656 7.077 -2.089
110 HA LEU 17 HA LEU 17 -3.463 7.925 -1.742
111 1HB LEU 17 1HB LEU 17 -2.244 5.273 -2.179
112 2HB LEU 17 2HB LEU 17 -3.504 5.325 -0.987
113 HG LEU 17 HG LEU 17 -3.727 6.087 -3.876
114 1HD1 LEU 17 1HD1 LEU 17 -3.778 3.727 -3.591
115 2HD1 LEU 17 2HD1 LEU 17 -5.426 4.275 -3.902
116 3HD1 LEU 17 3HD1 LEU 17 -4.929 3.862 -2.263
117 1HD2 LEU 17 1HD2 LEU 17 -5.175 7.266 -1.833
118 2HD2 LEU 17 2HD2 LEU 17 -6.244 6.010 -2.460
119 3HD2 LEU 17 3HD2 LEU 17 -5.590 7.236 -3.547
120 H SER 18 H SER 18 -3.978 6.098 0.515
121 HA SER 18 HA SER 18 -2.051 6.728 2.553
122 1HB SER 18 1HB SER 18 -4.756 7.654 3.294
123 2HB SER 18 2HB SER 18 -3.179 8.338 3.687
124 HG SER 18 HG SER 18 -4.484 8.565 1.172
125 H PHE 19 H PHE 19 -2.554 5.579 4.551
126 HA PHE 19 HA PHE 19 -4.868 3.898 4.726
127 1HB PHE 19 1HB PHE 19 -3.676 1.723 4.614
128 2HB PHE 19 2HB PHE 19 -3.681 2.583 3.078
129 HD1 PHE 19 HD1 PHE 19 -1.545 2.271 6.136
130 HD2 PHE 19 HD2 PHE 19 -1.737 2.643 1.901
131 HE1 PHE 19 HE1 PHE 19 0.908 2.099 6.017
132 HE2 PHE 19 HE2 PHE 19 0.709 2.466 1.783
133 HZ PHE 19 HZ PHE 19 2.041 2.203 3.827
134 H ARG 20 H ARG 20 -4.846 2.454 6.638
135 HA ARG 20 HA ARG 20 -3.144 3.594 8.754
136 1HB ARG 20 1HB ARG 20 -5.912 3.593 8.515
137 2HB ARG 20 2HB ARG 20 -5.594 2.307 9.669
138 1HG ARG 20 1HG ARG 20 -4.241 3.929 10.992
139 2HG ARG 20 2HG ARG 20 -4.780 5.195 9.885
140 1HD ARG 20 1HD ARG 20 -6.394 5.424 11.469
141 2HD ARG 20 2HD ARG 20 -7.157 4.165 10.498
142 HE ARG 20 HE ARG 20 -5.522 3.031 12.517
143 1HH1 ARG 20 1HH1 ARG 20 -8.593 4.610 12.019
144 2HH1 ARG 20 2HH1 ARG 20 -9.343 3.861 13.388
145 1HH2 ARG 20 1HH2 ARG 20 -6.507 2.043 14.320
146 2HH2 ARG 20 2HH2 ARG 20 -8.158 2.404 14.696
147 H LYS 21 H LYS 21 -2.583 2.228 10.532
148 HA LYS 21 HA LYS 21 -1.526 -0.273 9.879
149 1HB LYS 21 1HB LYS 21 -0.495 0.052 11.816
150 2HB LYS 21 2HB LYS 21 -1.492 1.473 12.077
151 1HG LYS 21 1HG LYS 21 -2.585 -1.192 12.845
152 2HG LYS 21 2HG LYS 21 -1.350 -0.445 13.857
153 1HD LYS 21 1HD LYS 21 -2.906 1.661 13.657
154 2HD LYS 21 2HD LYS 21 -4.136 0.454 13.282
155 1HE LYS 21 1HE LYS 21 -4.398 0.183 15.477
156 2HE LYS 21 2HE LYS 21 -2.811 -0.584 15.491
157 1HZ LYS 21 1HZ LYS 21 -2.028 1.898 15.644
158 2HZ LYS 21 2HZ LYS 21 -2.498 1.046 17.028
159 3HZ LYS 21 3HZ LYS 21 -3.574 2.126 16.295
160 H GLY 22 H GLY 22 -2.265 -2.278 9.882
161 1HA GLY 22 1HA GLY 22 -3.594 -4.076 10.590
162 2HA GLY 22 2HA GLY 22 -4.766 -2.939 11.232
163 H GLN 23 H GLN 23 -4.419 -1.562 8.391
164 HA GLN 23 HA GLN 23 -6.718 -2.900 7.306
165 1HB GLN 23 1HB GLN 23 -5.977 -0.347 7.197
166 2HB GLN 23 2HB GLN 23 -5.260 -0.884 5.686
167 1HG GLN 23 1HG GLN 23 -7.382 -0.075 5.124
168 2HG GLN 23 2HG GLN 23 -7.534 -1.831 5.103
169 1HE2 GLN 23 1HE2 GLN 23 -9.025 -2.768 6.352
170 2HE2 GLN 23 2HE2 GLN 23 -10.008 -1.946 7.510
171 H ILE 24 H ILE 24 -6.925 -3.626 5.067
172 HA ILE 24 HA ILE 24 -4.439 -4.900 4.155
173 HB ILE 24 HB ILE 24 -7.288 -5.746 3.614
174 1HG1 ILE 24 1HG1 ILE 24 -5.157 -7.027 5.343
175 2HG1 ILE 24 2HG1 ILE 24 -6.506 -6.078 5.959
176 1HG2 ILE 24 1HG2 ILE 24 -5.995 -7.866 2.850
177 2HG2 ILE 24 2HG2 ILE 24 -4.632 -6.761 2.678
178 3HG2 ILE 24 3HG2 ILE 24 -6.109 -6.487 1.756
179 1HD1 ILE 24 1HD1 ILE 24 -6.817 -8.533 6.108
180 2HD1 ILE 24 2HD1 ILE 24 -6.815 -8.593 4.345
181 3HD1 ILE 24 3HD1 ILE 24 -8.077 -7.702 5.196
182 H LEU 25 H LEU 25 -3.535 -3.757 2.630
183 HA LEU 25 HA LEU 25 -5.138 -2.321 0.655
184 1HB LEU 25 1HB LEU 25 -2.885 -1.419 -0.034
185 2HB LEU 25 2HB LEU 25 -3.430 -0.991 1.575
186 HG LEU 25 HG LEU 25 -1.916 -3.326 1.916
187 1HD1 LEU 25 1HD1 LEU 25 0.199 -2.835 0.863
188 2HD1 LEU 25 2HD1 LEU 25 -0.481 -1.391 0.110
189 3HD1 LEU 25 3HD1 LEU 25 -1.061 -2.988 -0.362
190 1HD2 LEU 25 1HD2 LEU 25 -1.931 -0.581 2.779
191 2HD2 LEU 25 2HD2 LEU 25 -0.278 -1.143 2.530
192 3HD2 LEU 25 3HD2 LEU 25 -1.352 -2.019 3.622
193 H LYS 26 H LYS 26 -5.105 -2.824 -1.537
194 HA LYS 26 HA LYS 26 -4.059 -5.457 -2.197
195 1HB LYS 26 1HB LYS 26 -6.416 -4.674 -2.685
196 2HB LYS 26 2HB LYS 26 -5.730 -3.639 -3.925
197 1HG LYS 26 1HG LYS 26 -5.821 -5.313 -5.361
198 2HG LYS 26 2HG LYS 26 -4.725 -6.250 -4.343
199 1HD LYS 26 1HD LYS 26 -6.560 -7.640 -4.465
200 2HD LYS 26 2HD LYS 26 -6.876 -6.766 -2.968
201 1HE LYS 26 1HE LYS 26 -7.998 -5.912 -5.631
202 2HE LYS 26 2HE LYS 26 -8.823 -7.047 -4.571
203 1HZ LYS 26 1HZ LYS 26 -7.989 -4.453 -3.468
204 2HZ LYS 26 2HZ LYS 26 -9.307 -5.428 -3.051
205 3HZ LYS 26 3HZ LYS 26 -9.349 -4.507 -4.469
206 H ILE 27 H ILE 27 -2.230 -5.749 -3.278
207 HA ILE 27 HA ILE 27 -0.831 -3.492 -4.434
208 HB ILE 27 HB ILE 27 0.164 -6.279 -4.773
209 1HG1 ILE 27 1HG1 ILE 27 -0.642 -6.316 -2.476
210 2HG1 ILE 27 2HG1 ILE 27 1.119 -6.217 -2.481
211 1HG2 ILE 27 1HG2 ILE 27 1.254 -3.533 -4.498
212 2HG2 ILE 27 2HG2 ILE 27 1.713 -4.829 -5.602
213 3HG2 ILE 27 3HG2 ILE 27 2.247 -4.871 -3.922
214 1HD1 ILE 27 1HD1 ILE 27 1.033 -3.862 -2.016
215 2HD1 ILE 27 2HD1 ILE 27 0.071 -4.734 -0.823
216 3HD1 ILE 27 3HD1 ILE 27 -0.729 -3.871 -2.135
217 H LEU 28 H LEU 28 -0.621 -3.029 -6.495
218 HA LEU 28 HA LEU 28 -1.594 -4.960 -8.514
219 1HB LEU 28 1HB LEU 28 -1.915 -1.992 -8.796
220 2HB LEU 28 2HB LEU 28 -2.668 -3.264 -9.742
221 HG LEU 28 HG LEU 28 -3.463 -3.634 -7.043
222 1HD1 LEU 28 1HD1 LEU 28 -2.933 -1.416 -6.486
223 2HD1 LEU 28 2HD1 LEU 28 -4.663 -1.429 -6.803
224 3HD1 LEU 28 3HD1 LEU 28 -3.558 -0.810 -8.017
225 1HD2 LEU 28 1HD2 LEU 28 -5.439 -3.966 -8.029
226 2HD2 LEU 28 2HD2 LEU 28 -4.587 -3.739 -9.556
227 3HD2 LEU 28 3HD2 LEU 28 -5.421 -2.381 -8.801
228 H ASN 29 H ASN 29 0.431 -2.185 -7.765
229 HA ASN 29 HA ASN 29 2.443 -3.195 -9.596
230 1HB ASN 29 1HB ASN 29 1.452 -1.887 -11.192
231 2HB ASN 29 2HB ASN 29 0.917 -0.677 -10.031
232 1HD2 ASN 29 1HD2 ASN 29 1.845 1.169 -10.365
233 2HD2 ASN 29 2HD2 ASN 29 3.482 1.433 -10.837
234 H MET 30 H MET 30 4.358 -3.060 -8.645
235 HA MET 30 HA MET 30 4.659 -1.390 -6.275
236 1HB MET 30 1HB MET 30 6.730 -2.692 -5.912
237 2HB MET 30 2HB MET 30 5.299 -3.703 -6.032
238 1HG MET 30 1HG MET 30 6.261 -3.556 -8.628
239 2HG MET 30 2HG MET 30 7.707 -3.684 -7.629
240 1HE MET 30 1HE MET 30 6.914 -6.940 -5.569
241 2HE MET 30 2HE MET 30 6.961 -5.212 -5.225
242 3HE MET 30 3HE MET 30 8.280 -5.970 -6.117
243 H GLU 31 H GLU 31 5.034 -0.771 -9.388
244 HA GLU 31 HA GLU 31 6.007 0.945 -10.457
245 1HB GLU 31 1HB GLU 31 6.165 1.964 -8.128
246 2HB GLU 31 2HB GLU 31 7.822 1.379 -8.094
247 1HG GLU 31 1HG GLU 31 8.436 3.242 -9.097
248 2HG GLU 31 2HG GLU 31 7.563 2.708 -10.532
249 H ASP 32 H ASP 32 9.022 1.258 -9.509
250 HA ASP 32 HA ASP 32 9.997 -0.839 -11.250
251 1HB ASP 32 1HB ASP 32 11.020 1.943 -10.818
252 2HB ASP 32 2HB ASP 32 12.138 0.681 -11.339
253 H ASP 33 H ASP 33 9.515 -0.738 -8.189
254 HA ASP 33 HA ASP 33 10.338 -2.127 -6.589
255 1HB ASP 33 1HB ASP 33 11.814 -2.953 -8.853
256 2HB ASP 33 2HB ASP 33 12.986 -2.722 -7.563
257 H SER 34 H SER 34 10.332 0.100 -5.730
258 HA SER 34 HA SER 34 12.938 0.689 -4.644
259 1HB SER 34 1HB SER 34 11.838 2.170 -6.853
260 2HB SER 34 2HB SER 34 12.044 3.241 -5.474
261 HG SER 34 HG SER 34 14.213 1.670 -5.737
262 H ASN 35 H ASN 35 11.833 3.429 -4.005
263 HA ASN 35 HA ASN 35 10.841 2.690 -1.400
264 1HB ASN 35 1HB ASN 35 11.798 5.183 -2.648
265 2HB ASN 35 2HB ASN 35 10.721 5.336 -1.263
266 1HD2 ASN 35 1HD2 ASN 35 11.766 5.566 0.557
267 2HD2 ASN 35 2HD2 ASN 35 13.277 4.841 0.973
268 H TRP 36 H TRP 36 9.232 3.898 -4.284
269 HA TRP 36 HA TRP 36 6.831 4.270 -2.633
270 1HB TRP 36 1HB TRP 36 7.430 5.316 -5.414
271 2HB TRP 36 2HB TRP 36 5.938 5.601 -4.526
272 HD1 TRP 36 HD1 TRP 36 9.012 7.322 -5.298
273 HE1 TRP 36 HE1 TRP 36 9.549 9.159 -3.576
274 HE3 TRP 36 HE3 TRP 36 5.780 5.929 -1.590
275 HZ2 TRP 36 HZ2 TRP 36 8.708 9.909 -0.976
276 HZ3 TRP 36 HZ3 TRP 36 5.705 7.266 0.469
277 HH2 TRP 36 HH2 TRP 36 7.142 9.212 0.772
278 H TYR 37 H TYR 37 5.109 2.971 -2.920
279 HA TYR 37 HA TYR 37 5.150 0.947 -5.070
280 1HB TYR 37 1HB TYR 37 4.384 0.883 -2.188
281 2HB TYR 37 2HB TYR 37 3.459 -0.122 -3.289
282 HD1 TYR 37 HD1 TYR 37 4.646 -1.522 -1.234
283 HD2 TYR 37 HD2 TYR 37 6.534 -0.142 -4.788
284 HE1 TYR 37 HE1 TYR 37 6.338 -3.288 -1.014
285 HE2 TYR 37 HE2 TYR 37 8.228 -1.904 -4.578
286 HH TYR 37 HH TYR 37 7.962 -4.526 -2.991
287 H ARG 38 H ARG 38 2.828 0.062 -5.481
288 HA ARG 38 HA ARG 38 0.871 2.251 -5.383
289 1HB ARG 38 1HB ARG 38 2.139 1.784 -7.671
290 2HB ARG 38 2HB ARG 38 0.909 0.537 -7.812
291 1HG ARG 38 1HG ARG 38 -0.737 2.010 -8.178
292 2HG ARG 38 2HG ARG 38 -0.089 3.185 -7.031
293 1HD ARG 38 1HD ARG 38 1.749 3.565 -8.795
294 2HD ARG 38 2HD ARG 38 0.654 2.734 -9.899
295 HE ARG 38 HE ARG 38 -0.421 4.995 -8.411
296 1HH1 ARG 38 1HH1 ARG 38 0.852 3.774 -11.434
297 2HH1 ARG 38 2HH1 ARG 38 0.183 5.066 -12.373
298 1HH2 ARG 38 1HH2 ARG 38 -1.284 6.694 -9.653
299 2HH2 ARG 38 2HH2 ARG 38 -1.023 6.722 -11.365
300 H ALA 39 H ALA 39 -1.027 1.652 -4.555
301 HA ALA 39 HA ALA 39 -1.908 -1.130 -4.903
302 1HB ALA 39 1HB ALA 39 -1.822 -1.638 -2.751
303 2HB ALA 39 2HB ALA 39 -2.710 -0.179 -2.311
304 3HB ALA 39 3HB ALA 39 -0.956 -0.125 -2.483
305 H GLU 40 H GLU 40 -4.234 -1.349 -3.938
306 HA GLU 40 HA GLU 40 -5.878 0.943 -4.819
307 1HB GLU 40 1HB GLU 40 -5.871 -1.220 -6.268
308 2HB GLU 40 2HB GLU 40 -6.798 -1.921 -4.955
309 1HG GLU 40 1HG GLU 40 -8.153 0.397 -5.450
310 2HG GLU 40 2HG GLU 40 -7.609 -0.079 -7.061
311 H LEU 41 H LEU 41 -7.298 1.676 -3.372
312 HA LEU 41 HA LEU 41 -8.249 -0.079 -1.252
313 1HB LEU 41 1HB LEU 41 -6.177 1.409 -0.611
314 2HB LEU 41 2HB LEU 41 -7.362 2.694 -0.544
315 HG LEU 41 HG LEU 41 -7.665 2.146 1.592
316 1HD1 LEU 41 1HD1 LEU 41 -9.021 0.106 2.092
317 2HD1 LEU 41 2HD1 LEU 41 -8.891 -0.325 0.391
318 3HD1 LEU 41 3HD1 LEU 41 -9.700 1.170 0.860
319 1HD2 LEU 41 1HD2 LEU 41 -6.832 -0.531 1.972
320 2HD2 LEU 41 2HD2 LEU 41 -6.020 0.953 2.470
321 3HD2 LEU 41 3HD2 LEU 41 -5.668 0.242 0.895
322 H ASP 42 H ASP 42 -10.383 0.182 -0.957
323 HA ASP 42 HA ASP 42 -12.516 0.945 -1.241
324 1HB ASP 42 1HB ASP 42 -11.188 3.663 -1.142
325 2HB ASP 42 2HB ASP 42 -12.917 3.366 -0.988
326 H GLY 43 H GLY 43 -11.056 0.228 -3.580
327 1HA GLY 43 1HA GLY 43 -11.399 0.269 -5.860
328 2HA GLY 43 2HA GLY 43 -12.754 1.348 -5.568
329 H LYS 44 H LYS 44 -9.699 2.314 -4.328
330 HA LYS 44 HA LYS 44 -9.385 4.263 -6.527
331 1HB LYS 44 1HB LYS 44 -9.508 4.543 -3.607
332 2HB LYS 44 2HB LYS 44 -8.130 5.358 -4.333
333 1HG LYS 44 1HG LYS 44 -10.045 6.847 -4.108
334 2HG LYS 44 2HG LYS 44 -9.612 6.602 -5.802
335 1HD LYS 44 1HD LYS 44 -11.383 4.729 -5.745
336 2HD LYS 44 2HD LYS 44 -11.954 5.521 -4.276
337 1HE LYS 44 1HE LYS 44 -11.759 6.693 -7.043
338 2HE LYS 44 2HE LYS 44 -13.224 6.357 -6.122
339 1HZ LYS 44 1HZ LYS 44 -12.438 8.740 -6.186
340 2HZ LYS 44 2HZ LYS 44 -11.174 8.267 -5.168
341 3HZ LYS 44 3HZ LYS 44 -12.777 8.106 -4.654
342 H GLU 45 H GLU 45 -7.320 4.573 -7.322
343 HA GLU 45 HA GLU 45 -5.233 2.800 -6.238
344 1HB GLU 45 1HB GLU 45 -5.873 2.396 -8.622
345 2HB GLU 45 2HB GLU 45 -5.388 4.042 -8.998
346 1HG GLU 45 1HG GLU 45 -3.317 3.368 -9.349
347 2HG GLU 45 2HG GLU 45 -3.211 2.785 -7.692
348 H GLY 46 H GLY 46 -3.124 3.546 -6.058
349 1HA GLY 46 1HA GLY 46 -2.133 6.098 -6.495
350 2HA GLY 46 2HA GLY 46 -2.906 6.135 -4.917
351 H LEU 47 H LEU 47 -0.168 6.489 -5.453
352 HA LEU 47 HA LEU 47 1.262 4.127 -4.826
353 1HB LEU 47 1HB LEU 47 3.134 5.304 -5.234
354 2HB LEU 47 2HB LEU 47 1.980 6.330 -6.056
355 HG LEU 47 HG LEU 47 1.957 7.460 -3.619
356 1HD1 LEU 47 1HD1 LEU 47 3.622 6.736 -2.349
357 2HD1 LEU 47 2HD1 LEU 47 4.739 7.476 -3.502
358 3HD1 LEU 47 3HD1 LEU 47 4.288 5.778 -3.669
359 1HD2 LEU 47 1HD2 LEU 47 3.975 8.855 -4.748
360 2HD2 LEU 47 2HD2 LEU 47 2.284 9.013 -5.222
361 3HD2 LEU 47 3HD2 LEU 47 3.364 7.974 -6.150
362 H ILE 48 H ILE 48 2.674 3.871 -3.011
363 HA ILE 48 HA ILE 48 1.869 5.178 -0.502
364 HB ILE 48 HB ILE 48 1.795 2.943 0.627
365 1HG1 ILE 48 1HG1 ILE 48 1.357 1.742 -2.091
366 2HG1 ILE 48 2HG1 ILE 48 2.978 1.855 -1.416
367 1HG2 ILE 48 1HG2 ILE 48 -0.364 3.539 0.487
368 2HG2 ILE 48 2HG2 ILE 48 -0.462 2.372 -0.837
369 3HG2 ILE 48 3HG2 ILE 48 -0.195 4.082 -1.182
370 1HD1 ILE 48 1HD1 ILE 48 1.038 -0.130 -0.970
371 2HD1 ILE 48 2HD1 ILE 48 1.243 0.743 0.548
372 3HD1 ILE 48 3HD1 ILE 48 2.640 0.015 -0.245
373 HA PRO 49 HA PRO 49 6.189 4.768 0.213
374 1HB PRO 49 1HB PRO 49 6.424 5.086 2.906
375 2HB PRO 49 2HB PRO 49 5.924 6.416 1.863
376 1HG PRO 49 1HG PRO 49 4.259 4.640 3.585
377 2HG PRO 49 2HG PRO 49 4.072 6.368 3.253
378 1HD PRO 49 1HD PRO 49 2.616 4.331 2.036
379 2HD PRO 49 2HD PRO 49 2.818 5.967 1.391
380 H SER 50 H SER 50 7.143 2.910 -0.069
381 HA SER 50 HA SER 50 6.249 0.424 0.588
382 1HB SER 50 1HB SER 50 8.459 1.508 -0.742
383 2HB SER 50 2HB SER 50 9.126 0.385 0.445
384 HG SER 50 HG SER 50 7.779 -0.128 -1.850
385 H ASN 51 H ASN 51 8.366 2.331 2.578
386 HA ASN 51 HA ASN 51 9.097 0.260 4.384
387 1HB ASN 51 1HB ASN 51 9.926 2.814 3.956
388 2HB ASN 51 2HB ASN 51 9.013 3.003 5.451
389 1HD2 ASN 51 1HD2 ASN 51 11.702 3.460 5.385
390 2HD2 ASN 51 2HD2 ASN 51 12.526 2.232 6.277
391 H TYR 52 H TYR 52 6.124 1.938 4.049
392 HA TYR 52 HA TYR 52 5.411 1.558 6.860
393 1HB TYR 52 1HB TYR 52 4.446 3.208 4.651
394 2HB TYR 52 2HB TYR 52 3.158 2.533 5.637
395 HD1 TYR 52 HD1 TYR 52 4.839 2.561 8.254
396 HD2 TYR 52 HD2 TYR 52 4.051 5.501 5.283
397 HE1 TYR 52 HE1 TYR 52 5.152 4.330 9.929
398 HE2 TYR 52 HE2 TYR 52 4.369 7.276 6.951
399 HH TYR 52 HH TYR 52 5.838 7.245 9.427
400 H ILE 53 H ILE 53 5.412 -0.568 4.371
401 HA ILE 53 HA ILE 53 3.037 -1.899 5.478
402 HB ILE 53 HB ILE 53 2.300 -2.671 3.318
403 1HG1 ILE 53 1HG1 ILE 53 3.644 -1.067 1.458
404 2HG1 ILE 53 2HG1 ILE 53 4.912 -1.727 2.487
405 1HG2 ILE 53 1HG2 ILE 53 2.692 0.314 3.438
406 2HG2 ILE 53 2HG2 ILE 53 1.334 -0.612 4.079
407 3HG2 ILE 53 3HG2 ILE 53 1.585 -0.506 2.337
408 1HD1 ILE 53 1HD1 ILE 53 3.958 -3.993 2.072
409 2HD1 ILE 53 2HD1 ILE 53 4.613 -3.195 0.641
410 3HD1 ILE 53 3HD1 ILE 53 2.869 -3.253 0.898
411 H GLU 54 H GLU 54 2.939 -4.256 4.705
412 HA GLU 54 HA GLU 54 5.570 -5.422 4.238
413 1HB GLU 54 1HB GLU 54 5.645 -6.760 6.184
414 2HB GLU 54 2HB GLU 54 5.252 -5.144 6.744
415 1HG GLU 54 1HG GLU 54 2.829 -6.577 6.238
416 2HG GLU 54 2HG GLU 54 3.889 -7.548 7.257
417 H MET 55 H MET 55 5.462 -7.138 2.962
418 HA MET 55 HA MET 55 3.200 -7.869 1.600
419 1HB MET 55 1HB MET 55 5.770 -8.493 1.311
420 2HB MET 55 2HB MET 55 5.235 -9.994 2.056
421 1HG MET 55 1HG MET 55 4.308 -10.694 0.169
422 2HG MET 55 2HG MET 55 3.427 -9.181 -0.033
423 1HE MET 55 1HE MET 55 7.054 -10.943 -1.465
424 2HE MET 55 2HE MET 55 6.892 -10.429 0.215
425 3HE MET 55 3HE MET 55 7.824 -9.453 -0.920
426 H LYS 56 H LYS 56 1.485 -9.090 1.955
427 HA LYS 56 HA LYS 56 1.457 -10.749 4.383
428 1HB LYS 56 1HB LYS 56 0.022 -8.740 4.494
429 2HB LYS 56 2HB LYS 56 -0.864 -9.307 3.090
430 1HG LYS 56 1HG LYS 56 -1.669 -11.221 4.320
431 2HG LYS 56 2HG LYS 56 -0.686 -10.770 5.715
432 1HD LYS 56 1HD LYS 56 -2.211 -8.500 5.047
433 2HD LYS 56 2HD LYS 56 -3.312 -9.876 4.981
434 1HE LYS 56 1HE LYS 56 -1.505 -9.204 7.303
435 2HE LYS 56 2HE LYS 56 -3.226 -8.829 7.213
436 1HZ LYS 56 1HZ LYS 56 -3.726 -11.167 7.117
437 2HZ LYS 56 2HZ LYS 56 -2.761 -10.866 8.474
438 3HZ LYS 56 3HZ LYS 56 -2.082 -11.567 7.092
439 H ASN 57 H ASN 57 -1.253 -10.835 2.240
440 HA ASN 57 HA ASN 57 -1.987 -12.345 0.690
441 1HB ASN 57 1HB ASN 57 0.737 -13.631 0.954
442 2HB ASN 57 2HB ASN 57 -0.501 -14.107 -0.195
443 1HD2 ASN 57 1HD2 ASN 57 1.128 -13.734 -1.772
444 2HD2 ASN 57 2HD2 ASN 57 1.430 -12.134 -2.347
445 H HIS 58 H HIS 58 0.015 -14.020 3.196
446 HA HIS 58 HA HIS 58 -2.067 -15.081 4.608
447 1HB HIS 58 1HB HIS 58 -2.028 -16.302 2.090
448 2HB HIS 58 2HB HIS 58 -1.264 -17.471 3.162
449 HD1 HIS 58 HD1 HIS 58 -4.077 -17.940 1.891
450 HD2 HIS 58 HD2 HIS 58 -3.398 -16.420 5.698
451 HE1 HIS 58 HE1 HIS 58 -6.177 -18.417 3.191
452 HE2 HIS 58 HE2 HIS 58 -5.786 -17.379 5.453
453 H ASP 59 H ASP 59 -1.364 -17.240 5.721
454 HA ASP 59 HA ASP 59 1.200 -16.646 6.897
455 1HB ASP 59 1HB ASP 59 -1.160 -18.113 7.651
456 2HB ASP 59 2HB ASP 59 0.268 -19.112 7.906
Start of MODEL 2
1 1H MET 1 1H MET 1 0.636 -10.154 -3.242
2 2H MET 1 2H MET 1 1.812 -9.235 -4.085
3 3H MET 1 3H MET 1 1.095 -10.605 -4.824
4 HA MET 1 HA MET 1 0.342 -8.161 -5.299
5 1HB MET 1 1HB MET 1 -0.401 -10.318 -6.348
6 2HB MET 1 2HB MET 1 -1.527 -10.533 -5.019
7 1HG MET 1 1HG MET 1 -2.374 -8.160 -5.814
8 2HG MET 1 2HG MET 1 -1.636 -8.670 -7.330
9 1HE MET 1 1HE MET 1 -3.236 -10.433 -4.468
10 2HE MET 1 2HE MET 1 -4.436 -11.506 -5.185
11 3HE MET 1 3HE MET 1 -4.858 -9.836 -4.812
12 H GLU 2 H GLU 2 -0.218 -9.413 -2.226
13 HA GLU 2 HA GLU 2 -1.997 -7.139 -1.740
14 1HB GLU 2 1HB GLU 2 -3.148 -8.413 0.044
15 2HB GLU 2 2HB GLU 2 -3.377 -9.111 -1.549
16 1HG GLU 2 1HG GLU 2 -1.256 -10.104 0.319
17 2HG GLU 2 2HG GLU 2 -2.910 -10.707 0.367
18 H ALA 3 H ALA 3 -1.624 -5.969 0.227
19 HA ALA 3 HA ALA 3 0.593 -6.877 1.945
20 1HB ALA 3 1HB ALA 3 0.560 -3.996 1.446
21 2HB ALA 3 2HB ALA 3 1.003 -4.962 0.048
22 3HB ALA 3 3HB ALA 3 1.917 -5.115 1.544
23 H ILE 4 H ILE 4 0.607 -6.115 4.001
24 HA ILE 4 HA ILE 4 -1.971 -4.974 4.931
25 HB ILE 4 HB ILE 4 -1.318 -7.205 5.851
26 1HG1 ILE 4 1HG1 ILE 4 -1.435 -5.157 8.036
27 2HG1 ILE 4 2HG1 ILE 4 -2.827 -5.508 7.011
28 1HG2 ILE 4 1HG2 ILE 4 0.505 -6.192 7.829
29 2HG2 ILE 4 2HG2 ILE 4 1.147 -6.034 6.196
30 3HG2 ILE 4 3HG2 ILE 4 0.641 -7.607 6.792
31 1HD1 ILE 4 1HD1 ILE 4 -3.219 -7.486 8.002
32 2HD1 ILE 4 2HD1 ILE 4 -2.310 -6.768 9.332
33 3HD1 ILE 4 3HD1 ILE 4 -1.504 -7.848 8.194
34 H ALA 5 H ALA 5 -2.052 -3.169 6.074
35 HA ALA 5 HA ALA 5 0.185 -1.439 6.110
36 1HB ALA 5 1HB ALA 5 -2.224 -0.964 7.793
37 2HB ALA 5 2HB ALA 5 -2.362 -0.925 6.035
38 3HB ALA 5 3HB ALA 5 -1.265 0.170 6.864
39 H LYS 6 H LYS 6 1.830 -1.546 7.480
40 HA LYS 6 HA LYS 6 1.478 -2.780 10.117
41 1HB LYS 6 1HB LYS 6 3.466 -3.414 8.864
42 2HB LYS 6 2HB LYS 6 3.949 -1.736 8.722
43 1HG LYS 6 1HG LYS 6 5.251 -2.887 10.416
44 2HG LYS 6 2HG LYS 6 4.267 -1.612 11.134
45 1HD LYS 6 1HD LYS 6 2.550 -3.533 11.521
46 2HD LYS 6 2HD LYS 6 3.956 -4.580 11.313
47 1HE LYS 6 1HE LYS 6 5.113 -3.314 13.091
48 2HE LYS 6 2HE LYS 6 3.650 -2.362 13.333
49 1HZ LYS 6 1HZ LYS 6 2.503 -4.204 14.148
50 2HZ LYS 6 2HZ LYS 6 4.028 -4.329 14.866
51 3HZ LYS 6 3HZ LYS 6 3.633 -5.310 13.547
52 H HIS 7 H HIS 7 1.525 0.280 8.681
53 HA HIS 7 HA HIS 7 1.105 1.548 11.235
54 1HB HIS 7 1HB HIS 7 3.462 2.317 9.502
55 2HB HIS 7 2HB HIS 7 2.840 3.309 10.818
56 HD1 HIS 7 HD1 HIS 7 2.778 1.919 13.228
57 HD2 HIS 7 HD2 HIS 7 5.423 0.628 10.295
58 HE1 HIS 7 HE1 HIS 7 4.477 0.508 14.431
59 HE2 HIS 7 HE2 HIS 7 5.986 -0.369 12.615
60 H ASP 8 H ASP 8 0.927 4.001 10.808
61 HA ASP 8 HA ASP 8 -1.246 4.237 8.944
62 1HB ASP 8 1HB ASP 8 -1.139 5.258 11.284
63 2HB ASP 8 2HB ASP 8 -0.035 6.453 10.610
64 H PHE 9 H PHE 9 -1.349 5.566 7.078
65 HA PHE 9 HA PHE 9 1.166 6.869 6.368
66 1HB PHE 9 1HB PHE 9 1.482 4.916 5.135
67 2HB PHE 9 2HB PHE 9 -0.230 4.745 4.781
68 HD1 PHE 9 HD1 PHE 9 2.330 7.416 4.174
69 HD2 PHE 9 HD2 PHE 9 -0.673 4.880 2.559
70 HE1 PHE 9 HE1 PHE 9 2.691 8.408 1.949
71 HE2 PHE 9 HE2 PHE 9 -0.321 5.857 0.337
72 HZ PHE 9 HZ PHE 9 1.366 7.621 0.024
73 H SER 10 H SER 10 0.957 8.798 5.562
74 HA SER 10 HA SER 10 -1.517 9.560 4.158
75 1HB SER 10 1HB SER 10 -1.210 11.846 5.071
76 2HB SER 10 2HB SER 10 -1.416 10.672 6.370
77 HG SER 10 HG SER 10 0.429 12.340 6.361
78 H ALA 11 H ALA 11 -1.285 10.285 2.203
79 HA ALA 11 HA ALA 11 0.959 9.859 0.696
80 1HB ALA 11 1HB ALA 11 -0.816 10.016 -0.648
81 2HB ALA 11 2HB ALA 11 -0.315 11.702 -0.777
82 3HB ALA 11 3HB ALA 11 -1.601 11.247 0.341
83 H THR 12 H THR 12 2.652 10.918 0.070
84 HA THR 12 HA THR 12 3.073 13.619 1.129
85 HB THR 12 HB THR 12 4.958 11.292 0.677
86 HG1 THR 12 HG1 THR 12 5.000 11.304 2.765
87 1HG2 THR 12 1HG2 THR 12 5.661 14.130 0.493
88 2HG2 THR 12 2HG2 THR 12 6.571 12.694 0.028
89 3HG2 THR 12 3HG2 THR 12 6.572 13.236 1.705
90 H ALA 13 H ALA 13 1.981 12.359 -1.497
91 HA ALA 13 HA ALA 13 2.927 14.544 -3.144
92 1HB ALA 13 1HB ALA 13 4.090 13.361 -4.668
93 2HB ALA 13 2HB ALA 13 2.993 11.984 -4.579
94 3HB ALA 13 3HB ALA 13 4.264 12.175 -3.373
95 H ASP 14 H ASP 14 1.694 14.658 -5.141
96 HA ASP 14 HA ASP 14 -1.047 14.566 -4.599
97 1HB ASP 14 1HB ASP 14 0.326 14.925 -7.268
98 2HB ASP 14 2HB ASP 14 -1.359 15.307 -6.929
99 H ASP 15 H ASP 15 0.989 12.332 -6.284
100 HA ASP 15 HA ASP 15 -1.277 10.835 -7.313
101 1HB ASP 15 1HB ASP 15 1.282 11.346 -8.225
102 2HB ASP 15 2HB ASP 15 1.348 9.661 -7.719
103 H GLU 16 H GLU 16 -0.386 10.911 -4.359
104 HA GLU 16 HA GLU 16 0.063 8.056 -3.908
105 1HB GLU 16 1HB GLU 16 0.657 10.508 -2.300
106 2HB GLU 16 2HB GLU 16 0.652 8.910 -1.568
107 1HG GLU 16 1HG GLU 16 2.239 8.473 -3.708
108 2HG GLU 16 2HG GLU 16 2.600 10.164 -3.373
109 H LEU 17 H LEU 17 -0.919 7.158 -1.915
110 HA LEU 17 HA LEU 17 -3.663 8.187 -1.573
111 1HB LEU 17 1HB LEU 17 -2.827 5.656 -2.456
112 2HB LEU 17 2HB LEU 17 -3.427 5.413 -0.831
113 HG LEU 17 HG LEU 17 -5.056 6.936 -2.836
114 1HD1 LEU 17 1HD1 LEU 17 -4.922 3.946 -2.506
115 2HD1 LEU 17 2HD1 LEU 17 -4.518 4.873 -3.947
116 3HD1 LEU 17 3HD1 LEU 17 -6.185 4.805 -3.381
117 1HD2 LEU 17 1HD2 LEU 17 -6.914 6.062 -1.468
118 2HD2 LEU 17 2HD2 LEU 17 -5.789 7.042 -0.527
119 3HD2 LEU 17 3HD2 LEU 17 -5.742 5.282 -0.406
120 H SER 18 H SER 18 -4.273 6.341 0.679
121 HA SER 18 HA SER 18 -2.321 6.932 2.717
122 1HB SER 18 1HB SER 18 -5.047 8.233 2.687
123 2HB SER 18 2HB SER 18 -4.104 8.020 4.162
124 HG SER 18 HG SER 18 -2.384 9.118 2.832
125 H PHE 19 H PHE 19 -2.795 5.761 4.699
126 HA PHE 19 HA PHE 19 -5.128 4.119 4.887
127 1HB PHE 19 1HB PHE 19 -4.121 1.954 4.571
128 2HB PHE 19 2HB PHE 19 -3.787 2.926 3.141
129 HD1 PHE 19 HD1 PHE 19 -1.591 3.267 2.420
130 HD2 PHE 19 HD2 PHE 19 -2.300 1.758 6.333
131 HE1 PHE 19 HE1 PHE 19 0.821 2.847 2.703
132 HE2 PHE 19 HE2 PHE 19 0.109 1.331 6.603
133 HZ PHE 19 HZ PHE 19 1.668 1.878 4.788
134 H ARG 20 H ARG 20 -5.056 2.633 6.764
135 HA ARG 20 HA ARG 20 -3.307 3.723 8.875
136 1HB ARG 20 1HB ARG 20 -6.192 3.345 8.708
137 2HB ARG 20 2HB ARG 20 -5.511 2.588 10.140
138 1HG ARG 20 1HG ARG 20 -5.199 4.544 11.149
139 2HG ARG 20 2HG ARG 20 -4.483 5.270 9.709
140 1HD ARG 20 1HD ARG 20 -6.645 6.302 10.559
141 2HD ARG 20 2HD ARG 20 -6.582 5.889 8.850
142 HE ARG 20 HE ARG 20 -7.944 4.251 10.891
143 1HH1 ARG 20 1HH1 ARG 20 -7.744 5.522 7.635
144 2HH1 ARG 20 2HH1 ARG 20 -9.210 4.761 7.124
145 1HH2 ARG 20 1HH2 ARG 20 -9.869 3.261 10.205
146 2HH2 ARG 20 2HH2 ARG 20 -10.414 3.482 8.576
147 H LYS 21 H LYS 21 -2.708 2.323 10.595
148 HA LYS 21 HA LYS 21 -1.676 -0.158 9.874
149 1HB LYS 21 1HB LYS 21 -1.963 -0.420 12.590
150 2HB LYS 21 2HB LYS 21 -0.599 0.314 11.766
151 1HG LYS 21 1HG LYS 21 -1.224 1.795 13.484
152 2HG LYS 21 2HG LYS 21 -1.795 2.523 11.986
153 1HD LYS 21 1HD LYS 21 -3.864 0.850 12.980
154 2HD LYS 21 2HD LYS 21 -3.275 1.829 14.322
155 1HE LYS 21 1HE LYS 21 -4.110 2.933 11.641
156 2HE LYS 21 2HE LYS 21 -5.151 2.866 13.061
157 1HZ LYS 21 1HZ LYS 21 -2.551 4.294 12.977
158 2HZ LYS 21 2HZ LYS 21 -3.696 4.336 14.222
159 3HZ LYS 21 3HZ LYS 21 -4.050 5.037 12.723
160 H GLY 22 H GLY 22 -2.400 -2.166 9.818
161 1HA GLY 22 1HA GLY 22 -3.729 -3.994 10.461
162 2HA GLY 22 2HA GLY 22 -4.900 -2.879 11.142
163 H GLN 23 H GLN 23 -4.515 -1.423 8.342
164 HA GLN 23 HA GLN 23 -6.834 -2.698 7.233
165 1HB GLN 23 1HB GLN 23 -5.348 -0.211 6.712
166 2HB GLN 23 2HB GLN 23 -6.121 -0.936 5.310
167 1HG GLN 23 1HG GLN 23 -8.084 -1.057 7.232
168 2HG GLN 23 2HG GLN 23 -7.291 0.483 7.558
169 1HE2 GLN 23 1HE2 GLN 23 -9.689 0.907 6.875
170 2HE2 GLN 23 2HE2 GLN 23 -9.892 1.338 5.215
171 H ILE 24 H ILE 24 -7.052 -3.339 4.941
172 HA ILE 24 HA ILE 24 -4.589 -4.674 4.050
173 HB ILE 24 HB ILE 24 -6.392 -6.196 4.632
174 1HG1 ILE 24 1HG1 ILE 24 -6.174 -6.258 1.635
175 2HG1 ILE 24 2HG1 ILE 24 -4.771 -6.560 2.655
176 1HG2 ILE 24 1HG2 ILE 24 -8.454 -5.349 4.319
177 2HG2 ILE 24 2HG2 ILE 24 -8.310 -6.142 2.751
178 3HG2 ILE 24 3HG2 ILE 24 -7.981 -4.419 2.901
179 1HD1 ILE 24 1HD1 ILE 24 -6.513 -8.448 1.779
180 2HD1 ILE 24 2HD1 ILE 24 -7.134 -8.107 3.395
181 3HD1 ILE 24 3HD1 ILE 24 -5.458 -8.615 3.183
182 H LEU 25 H LEU 25 -3.589 -3.683 2.476
183 HA LEU 25 HA LEU 25 -5.070 -2.101 0.512
184 1HB LEU 25 1HB LEU 25 -2.255 -2.227 1.471
185 2HB LEU 25 2HB LEU 25 -2.536 -1.663 -0.165
186 HG LEU 25 HG LEU 25 -4.292 -0.347 1.745
187 1HD1 LEU 25 1HD1 LEU 25 -2.899 0.369 3.321
188 2HD1 LEU 25 2HD1 LEU 25 -1.668 0.796 2.134
189 3HD1 LEU 25 3HD1 LEU 25 -1.752 -0.848 2.760
190 1HD2 LEU 25 1HD2 LEU 25 -2.381 0.422 -0.426
191 2HD2 LEU 25 2HD2 LEU 25 -3.079 1.645 0.636
192 3HD2 LEU 25 3HD2 LEU 25 -4.128 0.627 -0.349
193 H LYS 26 H LYS 26 -5.085 -2.582 -1.688
194 HA LYS 26 HA LYS 26 -4.177 -5.259 -2.420
195 1HB LYS 26 1HB LYS 26 -6.500 -3.961 -2.935
196 2HB LYS 26 2HB LYS 26 -5.604 -3.587 -4.401
197 1HG LYS 26 1HG LYS 26 -6.735 -5.518 -4.958
198 2HG LYS 26 2HG LYS 26 -5.142 -6.119 -4.494
199 1HD LYS 26 1HD LYS 26 -6.061 -6.527 -2.201
200 2HD LYS 26 2HD LYS 26 -7.658 -6.126 -2.836
201 1HE LYS 26 1HE LYS 26 -7.849 -8.080 -3.952
202 2HE LYS 26 2HE LYS 26 -6.138 -8.127 -4.370
203 1HZ LYS 26 1HZ LYS 26 -5.598 -8.960 -2.236
204 2HZ LYS 26 2HZ LYS 26 -6.891 -9.892 -2.801
205 3HZ LYS 26 3HZ LYS 26 -7.161 -8.688 -1.645
206 H ILE 27 H ILE 27 -2.236 -5.505 -3.392
207 HA ILE 27 HA ILE 27 -0.949 -3.223 -4.652
208 HB ILE 27 HB ILE 27 0.121 -6.030 -4.467
209 1HG1 ILE 27 1HG1 ILE 27 0.730 -3.820 -2.514
210 2HG1 ILE 27 2HG1 ILE 27 -0.559 -4.986 -2.227
211 1HG2 ILE 27 1HG2 ILE 27 1.141 -4.267 -6.014
212 2HG2 ILE 27 2HG2 ILE 27 2.221 -5.111 -4.903
213 3HG2 ILE 27 3HG2 ILE 27 1.682 -3.472 -4.535
214 1HD1 ILE 27 1HD1 ILE 27 1.498 -6.636 -2.815
215 2HD1 ILE 27 2HD1 ILE 27 1.054 -6.136 -1.186
216 3HD1 ILE 27 3HD1 ILE 27 2.347 -5.298 -2.041
217 H LEU 28 H LEU 28 -0.965 -2.825 -6.719
218 HA LEU 28 HA LEU 28 -1.900 -4.882 -8.630
219 1HB LEU 28 1HB LEU 28 -2.083 -1.895 -8.564
220 2HB LEU 28 2HB LEU 28 -2.232 -2.773 -10.075
221 HG LEU 28 HG LEU 28 -3.949 -3.714 -7.856
222 1HD1 LEU 28 1HD1 LEU 28 -4.318 -1.455 -7.414
223 2HD1 LEU 28 2HD1 LEU 28 -5.615 -1.889 -8.528
224 3HD1 LEU 28 3HD1 LEU 28 -4.203 -1.015 -9.116
225 1HD2 LEU 28 1HD2 LEU 28 -5.217 -4.510 -9.536
226 2HD2 LEU 28 2HD2 LEU 28 -3.760 -4.267 -10.500
227 3HD2 LEU 28 3HD2 LEU 28 -5.034 -3.048 -10.505
228 H ASN 29 H ASN 29 0.557 -2.488 -7.953
229 HA ASN 29 HA ASN 29 2.405 -3.828 -9.754
230 1HB ASN 29 1HB ASN 29 3.053 -1.385 -10.552
231 2HB ASN 29 2HB ASN 29 1.914 -2.407 -11.415
232 1HD2 ASN 29 1HD2 ASN 29 1.708 0.076 -12.023
233 2HD2 ASN 29 2HD2 ASN 29 0.373 0.859 -11.257
234 H MET 30 H MET 30 4.501 -3.634 -9.028
235 HA MET 30 HA MET 30 4.894 -2.271 -6.486
236 1HB MET 30 1HB MET 30 6.819 -3.590 -6.184
237 2HB MET 30 2HB MET 30 5.656 -4.666 -6.940
238 1HG MET 30 1HG MET 30 7.869 -3.231 -8.398
239 2HG MET 30 2HG MET 30 7.963 -4.887 -7.813
240 1HE MET 30 1HE MET 30 6.503 -6.770 -8.542
241 2HE MET 30 2HE MET 30 7.745 -6.765 -9.792
242 3HE MET 30 3HE MET 30 6.052 -6.975 -10.234
243 H GLU 31 H GLU 31 5.094 -1.362 -9.592
244 HA GLU 31 HA GLU 31 5.847 0.511 -10.560
245 1HB GLU 31 1HB GLU 31 7.457 0.931 -8.039
246 2HB GLU 31 2HB GLU 31 7.309 2.076 -9.362
247 1HG GLU 31 1HG GLU 31 4.726 1.725 -8.860
248 2HG GLU 31 2HG GLU 31 5.364 1.349 -7.261
249 H ASP 32 H ASP 32 8.813 1.106 -9.642
250 HA ASP 32 HA ASP 32 9.958 -0.810 -11.491
251 1HB ASP 32 1HB ASP 32 11.957 0.873 -11.617
252 2HB ASP 32 2HB ASP 32 10.491 1.167 -12.547
253 H ASP 33 H ASP 33 9.549 -0.901 -8.469
254 HA ASP 33 HA ASP 33 10.507 -2.257 -6.912
255 1HB ASP 33 1HB ASP 33 12.665 -2.507 -9.011
256 2HB ASP 33 2HB ASP 33 12.870 -3.184 -7.404
257 H SER 34 H SER 34 10.398 -0.011 -6.010
258 HA SER 34 HA SER 34 13.005 0.640 -4.949
259 1HB SER 34 1HB SER 34 11.697 2.242 -7.005
260 2HB SER 34 2HB SER 34 12.093 3.197 -5.583
261 HG SER 34 HG SER 34 13.796 3.033 -7.188
262 H ASN 35 H ASN 35 11.761 3.300 -4.201
263 HA ASN 35 HA ASN 35 10.872 2.433 -1.583
264 1HB ASN 35 1HB ASN 35 12.267 4.620 -2.484
265 2HB ASN 35 2HB ASN 35 10.717 5.290 -1.986
266 1HD2 ASN 35 1HD2 ASN 35 13.723 4.165 -0.983
267 2HD2 ASN 35 2HD2 ASN 35 13.438 4.165 0.721
268 H TRP 36 H TRP 36 9.192 3.763 -4.383
269 HA TRP 36 HA TRP 36 6.800 3.950 -2.685
270 1HB TRP 36 1HB TRP 36 7.325 5.169 -5.413
271 2HB TRP 36 2HB TRP 36 5.832 5.348 -4.493
272 HD1 TRP 36 HD1 TRP 36 8.920 7.154 -5.158
273 HE1 TRP 36 HE1 TRP 36 9.370 8.949 -3.368
274 HE3 TRP 36 HE3 TRP 36 5.575 5.619 -1.610
275 HZ2 TRP 36 HZ2 TRP 36 8.430 9.623 -0.790
276 HZ3 TRP 36 HZ3 TRP 36 5.409 6.895 0.484
277 HH2 TRP 36 HH2 TRP 36 6.809 8.854 0.888
278 H TYR 37 H TYR 37 5.112 2.559 -3.080
279 HA TYR 37 HA TYR 37 5.314 0.785 -5.428
280 1HB TYR 37 1HB TYR 37 4.615 0.288 -2.584
281 2HB TYR 37 2HB TYR 37 3.690 -0.599 -3.788
282 HD1 TYR 37 HD1 TYR 37 7.177 0.274 -4.476
283 HD2 TYR 37 HD2 TYR 37 4.562 -2.719 -2.955
284 HE1 TYR 37 HE1 TYR 37 8.987 -1.380 -4.636
285 HE2 TYR 37 HE2 TYR 37 6.366 -4.383 -3.110
286 HH TYR 37 HH TYR 37 8.524 -4.732 -3.569
287 H ARG 38 H ARG 38 3.249 0.072 -6.359
288 HA ARG 38 HA ARG 38 1.201 2.148 -6.017
289 1HB ARG 38 1HB ARG 38 2.402 1.914 -8.246
290 2HB ARG 38 2HB ARG 38 1.558 0.392 -8.433
291 1HG ARG 38 1HG ARG 38 -0.094 1.516 -9.384
292 2HG ARG 38 2HG ARG 38 -0.435 2.227 -7.806
293 1HD ARG 38 1HD ARG 38 0.129 4.224 -8.595
294 2HD ARG 38 2HD ARG 38 1.757 3.634 -8.911
295 HE ARG 38 HE ARG 38 0.899 2.925 -11.130
296 1HH1 ARG 38 1HH1 ARG 38 -0.767 5.455 -9.378
297 2HH1 ARG 38 2HH1 ARG 38 -1.409 6.185 -10.809
298 1HH2 ARG 38 1HH2 ARG 38 0.056 3.900 -13.002
299 2HH2 ARG 38 2HH2 ARG 38 -0.943 5.308 -12.860
300 H ALA 39 H ALA 39 -0.652 1.604 -5.128
301 HA ALA 39 HA ALA 39 -1.749 -1.063 -5.591
302 1HB ALA 39 1HB ALA 39 -0.332 -0.848 -3.396
303 2HB ALA 39 2HB ALA 39 -1.850 -1.738 -3.400
304 3HB ALA 39 3HB ALA 39 -1.798 -0.092 -2.776
305 H GLU 40 H GLU 40 -3.954 -1.219 -4.368
306 HA GLU 40 HA GLU 40 -5.438 1.296 -4.780
307 1HB GLU 40 1HB GLU 40 -5.846 -0.544 -6.489
308 2HB GLU 40 2HB GLU 40 -6.548 -1.483 -5.177
309 1HG GLU 40 1HG GLU 40 -8.284 0.129 -4.861
310 2HG GLU 40 2HG GLU 40 -7.525 1.235 -6.003
311 H LEU 41 H LEU 41 -7.102 1.775 -3.307
312 HA LEU 41 HA LEU 41 -7.702 -0.100 -1.171
313 1HB LEU 41 1HB LEU 41 -5.692 1.416 -0.552
314 2HB LEU 41 2HB LEU 41 -6.881 2.695 -0.434
315 HG LEU 41 HG LEU 41 -7.196 0.145 1.126
316 1HD1 LEU 41 1HD1 LEU 41 -4.961 1.545 1.460
317 2HD1 LEU 41 2HD1 LEU 41 -5.831 0.824 2.811
318 3HD1 LEU 41 3HD1 LEU 41 -6.037 2.535 2.439
319 1HD2 LEU 41 1HD2 LEU 41 -9.171 1.421 1.118
320 2HD2 LEU 41 2HD2 LEU 41 -8.287 2.937 1.308
321 3HD2 LEU 41 3HD2 LEU 41 -8.382 1.798 2.650
322 H ASP 42 H ASP 42 -9.770 0.002 -0.649
323 HA ASP 42 HA ASP 42 -11.973 0.536 -0.765
324 1HB ASP 42 1HB ASP 42 -10.777 2.514 0.620
325 2HB ASP 42 2HB ASP 42 -11.485 3.451 -0.692
326 H GLY 43 H GLY 43 -10.654 0.278 -3.295
327 1HA GLY 43 1HA GLY 43 -11.400 0.448 -5.491
328 2HA GLY 43 2HA GLY 43 -12.651 1.552 -4.943
329 H LYS 44 H LYS 44 -9.564 2.451 -3.899
330 HA LYS 44 HA LYS 44 -9.331 4.419 -6.087
331 1HB LYS 44 1HB LYS 44 -9.961 5.447 -3.950
332 2HB LYS 44 2HB LYS 44 -8.607 4.661 -3.155
333 1HG LYS 44 1HG LYS 44 -8.304 7.096 -3.695
334 2HG LYS 44 2HG LYS 44 -7.033 6.024 -4.272
335 1HD LYS 44 1HD LYS 44 -7.305 6.978 -6.267
336 2HD LYS 44 2HD LYS 44 -8.832 6.105 -6.375
337 1HE LYS 44 1HE LYS 44 -9.657 8.193 -4.939
338 2HE LYS 44 2HE LYS 44 -8.309 8.959 -5.780
339 1HZ LYS 44 1HZ LYS 44 -10.621 8.992 -6.860
340 2HZ LYS 44 2HZ LYS 44 -10.301 7.384 -7.275
341 3HZ LYS 44 3HZ LYS 44 -9.285 8.618 -7.829
342 H GLU 45 H GLU 45 -7.266 4.678 -6.986
343 HA GLU 45 HA GLU 45 -5.238 2.788 -6.007
344 1HB GLU 45 1HB GLU 45 -6.008 2.506 -8.390
345 2HB GLU 45 2HB GLU 45 -5.350 4.097 -8.738
346 1HG GLU 45 1HG GLU 45 -3.152 3.378 -8.462
347 2HG GLU 45 2HG GLU 45 -3.643 1.920 -7.599
348 H GLY 46 H GLY 46 -3.030 3.456 -6.021
349 1HA GLY 46 1HA GLY 46 -2.193 6.120 -6.248
350 2HA GLY 46 2HA GLY 46 -2.743 5.840 -4.604
351 H LEU 47 H LEU 47 -0.404 6.550 -4.519
352 HA LEU 47 HA LEU 47 1.429 4.265 -4.655
353 1HB LEU 47 1HB LEU 47 1.763 7.210 -4.857
354 2HB LEU 47 2HB LEU 47 3.074 6.304 -4.128
355 HG LEU 47 HG LEU 47 3.232 4.933 -6.188
356 1HD1 LEU 47 1HD1 LEU 47 0.908 5.185 -6.926
357 2HD1 LEU 47 2HD1 LEU 47 2.050 5.639 -8.192
358 3HD1 LEU 47 3HD1 LEU 47 1.210 6.887 -7.273
359 1HD2 LEU 47 1HD2 LEU 47 4.362 6.574 -7.489
360 2HD2 LEU 47 2HD2 LEU 47 4.567 7.026 -5.797
361 3HD2 LEU 47 3HD2 LEU 47 3.393 7.876 -6.801
362 H ILE 48 H ILE 48 2.566 3.610 -2.856
363 HA ILE 48 HA ILE 48 1.890 4.885 -0.285
364 HB ILE 48 HB ILE 48 2.271 2.316 0.497
365 1HG1 ILE 48 1HG1 ILE 48 0.399 1.370 -1.353
366 2HG1 ILE 48 2HG1 ILE 48 1.628 2.148 -2.337
367 1HG2 ILE 48 1HG2 ILE 48 0.351 2.896 1.415
368 2HG2 ILE 48 2HG2 ILE 48 -0.467 2.450 -0.068
369 3HG2 ILE 48 3HG2 ILE 48 0.061 4.107 0.185
370 1HD1 ILE 48 1HD1 ILE 48 2.481 0.048 -2.201
371 2HD1 ILE 48 2HD1 ILE 48 1.812 -0.235 -0.592
372 3HD1 ILE 48 3HD1 ILE 48 3.246 0.773 -0.787
373 HA PRO 49 HA PRO 49 6.218 4.723 0.300
374 1HB PRO 49 1HB PRO 49 6.487 4.948 3.013
375 2HB PRO 49 2HB PRO 49 5.907 6.288 2.021
376 1HG PRO 49 1HG PRO 49 4.366 4.384 3.718
377 2HG PRO 49 2HG PRO 49 4.085 6.108 3.426
378 1HD PRO 49 1HD PRO 49 2.714 4.027 2.190
379 2HD PRO 49 2HD PRO 49 2.815 5.680 1.580
380 H SER 50 H SER 50 7.367 2.955 -0.039
381 HA SER 50 HA SER 50 6.731 0.366 0.625
382 1HB SER 50 1HB SER 50 8.913 -0.247 -0.171
383 2HB SER 50 2HB SER 50 8.294 1.077 -1.156
384 HG SER 50 HG SER 50 10.363 1.075 0.733
385 H ASN 51 H ASN 51 7.183 2.248 2.968
386 HA ASN 51 HA ASN 51 8.809 0.395 4.584
387 1HB ASN 51 1HB ASN 51 9.219 3.162 4.255
388 2HB ASN 51 2HB ASN 51 8.580 2.957 5.884
389 1HD2 ASN 51 1HD2 ASN 51 11.285 3.637 4.792
390 2HD2 ASN 51 2HD2 ASN 51 12.359 2.529 5.570
391 H TYR 52 H TYR 52 5.788 1.958 4.244
392 HA TYR 52 HA TYR 52 4.971 1.292 6.969
393 1HB TYR 52 1HB TYR 52 3.595 2.873 4.802
394 2HB TYR 52 2HB TYR 52 2.925 2.571 6.402
395 HD1 TYR 52 HD1 TYR 52 6.202 3.766 5.015
396 HD2 TYR 52 HD2 TYR 52 3.080 4.343 7.845
397 HE1 TYR 52 HE1 TYR 52 7.359 5.759 5.877
398 HE2 TYR 52 HE2 TYR 52 4.224 6.337 8.712
399 HH TYR 52 HH TYR 52 7.004 7.057 8.616
400 H ILE 53 H ILE 53 5.162 -0.553 4.295
401 HA ILE 53 HA ILE 53 2.626 -1.880 4.953
402 HB ILE 53 HB ILE 53 1.904 -2.085 2.823
403 1HG1 ILE 53 1HG1 ILE 53 3.861 -3.410 2.045
404 2HG1 ILE 53 2HG1 ILE 53 3.259 -2.304 0.817
405 1HG2 ILE 53 1HG2 ILE 53 3.722 0.301 2.556
406 2HG2 ILE 53 2HG2 ILE 53 2.074 0.292 3.182
407 3HG2 ILE 53 3HG2 ILE 53 2.374 -0.075 1.483
408 1HD1 ILE 53 1HD1 ILE 53 5.315 -1.048 2.379
409 2HD1 ILE 53 2HD1 ILE 53 5.236 -1.336 0.641
410 3HD1 ILE 53 3HD1 ILE 53 5.875 -2.581 1.714
411 H GLU 54 H GLU 54 2.674 -3.978 5.279
412 HA GLU 54 HA GLU 54 5.256 -5.332 5.225
413 1HB GLU 54 1HB GLU 54 2.596 -6.174 6.352
414 2HB GLU 54 2HB GLU 54 4.053 -7.137 6.451
415 1HG GLU 54 1HG GLU 54 4.840 -4.714 7.472
416 2HG GLU 54 2HG GLU 54 3.184 -4.880 8.054
417 H MET 55 H MET 55 5.567 -7.384 4.239
418 HA MET 55 HA MET 55 4.119 -7.655 1.744
419 1HB MET 55 1HB MET 55 6.710 -7.901 2.260
420 2HB MET 55 2HB MET 55 6.251 -9.573 2.549
421 1HG MET 55 1HG MET 55 7.025 -9.234 0.269
422 2HG MET 55 2HG MET 55 5.337 -9.735 0.310
423 1HE MET 55 1HE MET 55 4.772 -8.689 -2.347
424 2HE MET 55 2HE MET 55 6.518 -8.850 -2.162
425 3HE MET 55 3HE MET 55 5.835 -7.360 -2.814
426 H LYS 56 H LYS 56 2.522 -8.280 4.010
427 HA LYS 56 HA LYS 56 1.385 -10.702 3.198
428 1HB LYS 56 1HB LYS 56 1.860 -12.067 5.257
429 2HB LYS 56 2HB LYS 56 3.222 -11.873 4.163
430 1HG LYS 56 1HG LYS 56 4.460 -10.871 5.719
431 2HG LYS 56 2HG LYS 56 3.139 -9.805 6.203
432 1HD LYS 56 1HD LYS 56 2.991 -12.670 6.995
433 2HD LYS 56 2HD LYS 56 4.139 -11.635 7.846
434 1HE LYS 56 1HE LYS 56 1.615 -10.297 7.607
435 2HE LYS 56 2HE LYS 56 1.372 -11.894 8.298
436 1HZ LYS 56 1HZ LYS 56 3.548 -10.919 9.620
437 2HZ LYS 56 2HZ LYS 56 1.966 -10.966 10.214
438 3HZ LYS 56 3HZ LYS 56 2.546 -9.564 9.468
439 H ASN 57 H ASN 57 -0.689 -9.942 3.508
440 HA ASN 57 HA ASN 57 -1.252 -8.516 5.977
441 1HB ASN 57 1HB ASN 57 -3.564 -8.240 4.846
442 2HB ASN 57 2HB ASN 57 -2.192 -7.345 4.201
443 1HD2 ASN 57 1HD2 ASN 57 -3.692 -10.532 3.845
444 2HD2 ASN 57 2HD2 ASN 57 -3.597 -10.574 2.123
445 H HIS 58 H HIS 58 -0.889 -10.574 7.174
446 HA HIS 58 HA HIS 58 -2.783 -12.709 7.083
447 1HB HIS 58 1HB HIS 58 -0.591 -11.769 8.849
448 2HB HIS 58 2HB HIS 58 -1.840 -12.742 9.617
449 HD1 HIS 58 HD1 HIS 58 1.181 -13.618 9.096
450 HD2 HIS 58 HD2 HIS 58 -2.150 -14.747 6.885
451 HE1 HIS 58 HE1 HIS 58 1.822 -15.772 7.968
452 HE2 HIS 58 HE2 HIS 58 -0.205 -16.429 6.623
453 H ASP 59 H ASP 59 -4.789 -12.765 7.943
454 HA ASP 59 HA ASP 59 -5.489 -11.203 10.242
455 1HB ASP 59 1HB ASP 59 -7.381 -10.009 9.172
456 2HB ASP 59 2HB ASP 59 -5.811 -9.476 8.578
Start of MODEL 3
1 1H MET 1 1H MET 1 0.009 -11.383 -3.517
2 2H MET 1 2H MET 1 1.041 -10.090 -3.052
3 3H MET 1 3H MET 1 1.227 -10.828 -4.589
4 HA MET 1 HA MET 1 0.146 -8.844 -4.964
5 1HB MET 1 1HB MET 1 -1.398 -11.383 -5.029
6 2HB MET 1 2HB MET 1 -2.354 -9.921 -5.228
7 1HG MET 1 1HG MET 1 -0.470 -9.364 -6.997
8 2HG MET 1 2HG MET 1 -0.321 -11.120 -7.021
9 1HE MET 1 1HE MET 1 -2.528 -12.762 -7.657
10 2HE MET 1 2HE MET 1 -4.130 -12.040 -7.791
11 3HE MET 1 3HE MET 1 -3.237 -11.927 -6.275
12 H GLU 2 H GLU 2 -0.393 -9.984 -1.907
13 HA GLU 2 HA GLU 2 -2.233 -7.750 -1.413
14 1HB GLU 2 1HB GLU 2 -2.123 -10.311 0.188
15 2HB GLU 2 2HB GLU 2 -3.196 -8.947 0.481
16 1HG GLU 2 1HG GLU 2 -4.040 -9.348 -1.895
17 2HG GLU 2 2HG GLU 2 -3.232 -10.907 -1.779
18 H ALA 3 H ALA 3 -1.903 -6.548 0.521
19 HA ALA 3 HA ALA 3 0.412 -7.175 2.165
20 1HB ALA 3 1HB ALA 3 1.208 -4.790 1.923
21 2HB ALA 3 2HB ALA 3 0.180 -4.700 0.493
22 3HB ALA 3 3HB ALA 3 1.505 -5.858 0.555
23 H ILE 4 H ILE 4 0.637 -5.593 3.957
24 HA ILE 4 HA ILE 4 -1.922 -4.388 4.749
25 HB ILE 4 HB ILE 4 -0.339 -5.992 6.737
26 1HG1 ILE 4 1HG1 ILE 4 -2.397 -6.892 4.758
27 2HG1 ILE 4 2HG1 ILE 4 -0.925 -7.696 5.277
28 1HG2 ILE 4 1HG2 ILE 4 -3.223 -5.119 6.718
29 2HG2 ILE 4 2HG2 ILE 4 -1.919 -4.250 7.527
30 3HG2 ILE 4 3HG2 ILE 4 -2.352 -5.879 8.048
31 1HD1 ILE 4 1HD1 ILE 4 -3.476 -8.333 6.049
32 2HD1 ILE 4 2HD1 ILE 4 -2.873 -7.411 7.423
33 3HD1 ILE 4 3HD1 ILE 4 -1.995 -8.832 6.866
34 H ALA 5 H ALA 5 -1.795 -2.567 5.936
35 HA ALA 5 HA ALA 5 0.684 -1.175 6.028
36 1HB ALA 5 1HB ALA 5 -1.533 -0.117 5.683
37 2HB ALA 5 2HB ALA 5 -0.576 0.634 6.959
38 3HB ALA 5 3HB ALA 5 -1.908 -0.445 7.374
39 H LYS 6 H LYS 6 2.213 -1.364 7.513
40 HA LYS 6 HA LYS 6 1.612 -2.592 10.113
41 1HB LYS 6 1HB LYS 6 4.016 -2.586 10.493
42 2HB LYS 6 2HB LYS 6 3.664 -3.274 8.918
43 1HG LYS 6 1HG LYS 6 5.370 -1.928 8.310
44 2HG LYS 6 2HG LYS 6 4.063 -0.752 8.167
45 1HD LYS 6 1HD LYS 6 5.229 0.529 9.567
46 2HD LYS 6 2HD LYS 6 4.793 -0.617 10.836
47 1HE LYS 6 1HE LYS 6 7.196 -1.038 9.087
48 2HE LYS 6 2HE LYS 6 7.271 -0.023 10.526
49 1HZ LYS 6 1HZ LYS 6 7.773 -1.942 11.532
50 2HZ LYS 6 2HZ LYS 6 7.113 -2.901 10.306
51 3HZ LYS 6 3HZ LYS 6 6.106 -2.231 11.488
52 H HIS 7 H HIS 7 2.191 0.524 8.731
53 HA HIS 7 HA HIS 7 1.438 1.754 11.231
54 1HB HIS 7 1HB HIS 7 3.553 2.195 11.842
55 2HB HIS 7 2HB HIS 7 4.187 1.686 10.290
56 HD1 HIS 7 HD1 HIS 7 2.045 4.707 11.078
57 HD2 HIS 7 HD2 HIS 7 5.797 3.725 9.604
58 HE1 HIS 7 HE1 HIS 7 3.061 6.868 10.346
59 HE2 HIS 7 HE2 HIS 7 5.390 6.276 9.589
60 H ASP 8 H ASP 8 0.218 3.461 10.897
61 HA ASP 8 HA ASP 8 -1.162 4.092 8.701
62 1HB ASP 8 1HB ASP 8 -0.913 6.614 9.666
63 2HB ASP 8 2HB ASP 8 -1.972 5.388 10.349
64 H PHE 9 H PHE 9 -1.116 5.423 6.926
65 HA PHE 9 HA PHE 9 1.410 6.738 6.331
66 1HB PHE 9 1HB PHE 9 2.031 5.362 4.693
67 2HB PHE 9 2HB PHE 9 0.742 4.279 5.174
68 HD1 PHE 9 HD1 PHE 9 1.329 7.274 3.015
69 HD2 PHE 9 HD2 PHE 9 -0.773 3.627 3.614
70 HE1 PHE 9 HE1 PHE 9 0.385 7.453 0.751
71 HE2 PHE 9 HE2 PHE 9 -1.725 3.797 1.357
72 HZ PHE 9 HZ PHE 9 -1.138 5.706 -0.083
73 H SER 10 H SER 10 1.175 8.662 5.537
74 HA SER 10 HA SER 10 -1.272 9.370 4.051
75 1HB SER 10 1HB SER 10 -1.401 11.448 5.128
76 2HB SER 10 2HB SER 10 -0.859 10.411 6.446
77 HG SER 10 HG SER 10 1.324 11.079 5.818
78 H ALA 11 H ALA 11 -1.010 10.032 2.105
79 HA ALA 11 HA ALA 11 1.303 9.757 0.658
80 1HB ALA 11 1HB ALA 11 -0.566 9.748 -0.624
81 2HB ALA 11 2HB ALA 11 0.012 11.382 -0.937
82 3HB ALA 11 3HB ALA 11 -1.298 11.116 0.214
83 H THR 12 H THR 12 2.922 10.941 0.055
84 HA THR 12 HA THR 12 3.120 13.673 1.101
85 HB THR 12 HB THR 12 5.057 11.410 0.894
86 HG1 THR 12 HG1 THR 12 4.491 13.497 2.712
87 1HG2 THR 12 1HG2 THR 12 5.882 14.259 0.445
88 2HG2 THR 12 2HG2 THR 12 6.392 12.800 -0.405
89 3HG2 THR 12 3HG2 THR 12 6.944 13.101 1.243
90 H ALA 13 H ALA 13 2.177 12.310 -1.532
91 HA ALA 13 HA ALA 13 2.949 14.552 -3.192
92 1HB ALA 13 1HB ALA 13 3.635 11.703 -3.894
93 2HB ALA 13 2HB ALA 13 4.745 13.058 -3.728
94 3HB ALA 13 3HB ALA 13 3.595 13.015 -5.063
95 H ASP 14 H ASP 14 1.734 14.532 -5.202
96 HA ASP 14 HA ASP 14 -0.993 14.192 -4.699
97 1HB ASP 14 1HB ASP 14 0.446 14.719 -7.300
98 2HB ASP 14 2HB ASP 14 -1.300 14.830 -7.094
99 H ASP 15 H ASP 15 1.258 12.101 -6.318
100 HA ASP 15 HA ASP 15 -0.872 10.497 -7.433
101 1HB ASP 15 1HB ASP 15 1.052 9.162 -8.367
102 2HB ASP 15 2HB ASP 15 0.962 10.845 -8.877
103 H GLU 16 H GLU 16 -0.149 10.608 -4.445
104 HA GLU 16 HA GLU 16 0.164 7.719 -3.967
105 1HB GLU 16 1HB GLU 16 1.008 10.133 -2.407
106 2HB GLU 16 2HB GLU 16 0.757 8.588 -1.604
107 1HG GLU 16 1HG GLU 16 2.637 7.704 -2.426
108 2HG GLU 16 2HG GLU 16 2.412 8.443 -4.008
109 H LEU 17 H LEU 17 -0.905 6.961 -1.950
110 HA LEU 17 HA LEU 17 -3.568 8.211 -1.736
111 1HB LEU 17 1HB LEU 17 -3.066 5.703 -2.607
112 2HB LEU 17 2HB LEU 17 -3.309 5.393 -0.901
113 HG LEU 17 HG LEU 17 -5.369 7.135 -2.026
114 1HD1 LEU 17 1HD1 LEU 17 -4.948 5.796 -4.029
115 2HD1 LEU 17 2HD1 LEU 17 -6.509 5.417 -3.299
116 3HD1 LEU 17 3HD1 LEU 17 -5.149 4.326 -3.074
117 1HD2 LEU 17 1HD2 LEU 17 -6.711 6.045 -0.590
118 2HD2 LEU 17 2HD2 LEU 17 -5.183 5.571 0.142
119 3HD2 LEU 17 3HD2 LEU 17 -6.009 4.473 -0.958
120 H SER 18 H SER 18 -4.104 6.261 0.596
121 HA SER 18 HA SER 18 -2.310 7.081 2.665
122 1HB SER 18 1HB SER 18 -5.197 7.844 3.051
123 2HB SER 18 2HB SER 18 -3.785 8.380 3.959
124 HG SER 18 HG SER 18 -3.224 9.717 2.304
125 H PHE 19 H PHE 19 -2.714 5.853 4.627
126 HA PHE 19 HA PHE 19 -4.881 3.978 4.753
127 1HB PHE 19 1HB PHE 19 -2.814 3.195 3.135
128 2HB PHE 19 2HB PHE 19 -2.342 2.488 4.673
129 HD1 PHE 19 HD1 PHE 19 -2.611 0.242 4.228
130 HD2 PHE 19 HD2 PHE 19 -5.809 2.916 3.397
131 HE1 PHE 19 HE1 PHE 19 -4.084 -1.673 3.783
132 HE2 PHE 19 HE2 PHE 19 -7.292 1.000 2.959
133 HZ PHE 19 HZ PHE 19 -6.430 -1.295 3.147
134 H ARG 20 H ARG 20 -4.666 2.491 6.645
135 HA ARG 20 HA ARG 20 -2.911 3.610 8.718
136 1HB ARG 20 1HB ARG 20 -4.643 3.765 10.295
137 2HB ARG 20 2HB ARG 20 -5.315 4.434 8.818
138 1HG ARG 20 1HG ARG 20 -5.843 1.711 9.979
139 2HG ARG 20 2HG ARG 20 -6.959 3.072 9.903
140 1HD ARG 20 1HD ARG 20 -5.877 1.449 7.616
141 2HD ARG 20 2HD ARG 20 -7.544 1.538 8.171
142 HE ARG 20 HE ARG 20 -6.239 3.321 6.375
143 1HH1 ARG 20 1HH1 ARG 20 -8.686 3.180 8.855
144 2HH1 ARG 20 2HH1 ARG 20 -9.578 4.524 8.223
145 1HH2 ARG 20 1HH2 ARG 20 -7.402 5.070 5.537
146 2HH2 ARG 20 2HH2 ARG 20 -8.847 5.601 6.331
147 H LYS 21 H LYS 21 -2.521 2.243 10.559
148 HA LYS 21 HA LYS 21 -1.661 -0.319 9.901
149 1HB LYS 21 1HB LYS 21 -1.088 -0.603 12.154
150 2HB LYS 21 2HB LYS 21 -0.923 1.112 11.839
151 1HG LYS 21 1HG LYS 21 -1.981 1.174 13.851
152 2HG LYS 21 2HG LYS 21 -3.374 1.206 12.772
153 1HD LYS 21 1HD LYS 21 -3.702 -0.359 14.624
154 2HD LYS 21 2HD LYS 21 -3.677 -1.199 13.080
155 1HE LYS 21 1HE LYS 21 -1.129 -1.489 13.635
156 2HE LYS 21 2HE LYS 21 -1.675 -1.211 15.286
157 1HZ LYS 21 1HZ LYS 21 -2.064 -3.507 13.578
158 2HZ LYS 21 2HZ LYS 21 -3.452 -3.020 14.413
159 3HZ LYS 21 3HZ LYS 21 -2.043 -3.403 15.267
160 H GLY 22 H GLY 22 -2.493 -2.283 9.912
161 1HA GLY 22 1HA GLY 22 -3.927 -4.006 10.632
162 2HA GLY 22 2HA GLY 22 -5.051 -2.796 11.221
163 H GLN 23 H GLN 23 -4.645 -1.435 8.432
164 HA GLN 23 HA GLN 23 -6.931 -2.739 7.297
165 1HB GLN 23 1HB GLN 23 -6.126 -0.195 7.270
166 2HB GLN 23 2HB GLN 23 -5.477 -0.704 5.731
167 1HG GLN 23 1HG GLN 23 -7.555 0.109 5.167
168 2HG GLN 23 2HG GLN 23 -7.852 -1.622 5.294
169 1HE2 GLN 23 1HE2 GLN 23 -8.394 -2.247 7.699
170 2HE2 GLN 23 2HE2 GLN 23 -9.605 -1.269 8.436
171 H ILE 24 H ILE 24 -7.122 -3.405 5.040
172 HA ILE 24 HA ILE 24 -4.668 -4.764 4.186
173 HB ILE 24 HB ILE 24 -6.593 -6.193 4.728
174 1HG1 ILE 24 1HG1 ILE 24 -6.670 -7.105 2.140
175 2HG1 ILE 24 2HG1 ILE 24 -5.193 -6.145 2.149
176 1HG2 ILE 24 1HG2 ILE 24 -8.118 -5.670 2.322
177 2HG2 ILE 24 2HG2 ILE 24 -8.080 -4.276 3.401
178 3HG2 ILE 24 3HG2 ILE 24 -8.659 -5.834 3.992
179 1HD1 ILE 24 1HD1 ILE 24 -4.708 -7.478 4.346
180 2HD1 ILE 24 2HD1 ILE 24 -4.391 -8.194 2.766
181 3HD1 ILE 24 3HD1 ILE 24 -5.855 -8.623 3.651
182 H LEU 25 H LEU 25 -3.597 -3.714 2.685
183 HA LEU 25 HA LEU 25 -5.023 -2.195 0.627
184 1HB LEU 25 1HB LEU 25 -2.690 -1.420 0.049
185 2HB LEU 25 2HB LEU 25 -3.314 -0.923 1.604
186 HG LEU 25 HG LEU 25 -1.817 -3.397 1.827
187 1HD1 LEU 25 1HD1 LEU 25 0.008 -2.980 0.631
188 2HD1 LEU 25 2HD1 LEU 25 0.189 -1.415 1.417
189 3HD1 LEU 25 3HD1 LEU 25 -0.778 -1.557 -0.045
190 1HD2 LEU 25 1HD2 LEU 25 -2.197 -2.216 3.795
191 2HD2 LEU 25 2HD2 LEU 25 -1.757 -0.675 3.058
192 3HD2 LEU 25 3HD2 LEU 25 -0.513 -1.863 3.414
193 H LYS 26 H LYS 26 -5.033 -2.805 -1.519
194 HA LYS 26 HA LYS 26 -3.906 -5.421 -2.159
195 1HB LYS 26 1HB LYS 26 -6.299 -4.750 -2.675
196 2HB LYS 26 2HB LYS 26 -5.638 -3.701 -3.923
197 1HG LYS 26 1HG LYS 26 -5.831 -5.447 -5.283
198 2HG LYS 26 2HG LYS 26 -4.425 -6.108 -4.448
199 1HD LYS 26 1HD LYS 26 -6.083 -7.094 -2.783
200 2HD LYS 26 2HD LYS 26 -7.335 -6.689 -3.958
201 1HE LYS 26 1HE LYS 26 -6.891 -8.548 -5.087
202 2HE LYS 26 2HE LYS 26 -5.228 -8.016 -5.330
203 1HZ LYS 26 1HZ LYS 26 -4.532 -9.556 -3.922
204 2HZ LYS 26 2HZ LYS 26 -6.113 -10.146 -3.794
205 3HZ LYS 26 3HZ LYS 26 -5.553 -8.986 -2.700
206 H ILE 27 H ILE 27 -2.117 -5.710 -3.306
207 HA ILE 27 HA ILE 27 -0.821 -3.414 -4.541
208 HB ILE 27 HB ILE 27 0.265 -6.215 -4.474
209 1HG1 ILE 27 1HG1 ILE 27 0.993 -4.195 -2.389
210 2HG1 ILE 27 2HG1 ILE 27 -0.457 -5.169 -2.172
211 1HG2 ILE 27 1HG2 ILE 27 2.427 -5.005 -4.505
212 2HG2 ILE 27 2HG2 ILE 27 1.537 -3.492 -4.664
213 3HG2 ILE 27 3HG2 ILE 27 1.435 -4.712 -5.933
214 1HD1 ILE 27 1HD1 ILE 27 0.888 -7.198 -2.371
215 2HD1 ILE 27 2HD1 ILE 27 1.432 -6.175 -1.050
216 3HD1 ILE 27 3HD1 ILE 27 2.335 -6.212 -2.558
217 H LEU 28 H LEU 28 -0.888 -2.990 -6.602
218 HA LEU 28 HA LEU 28 -1.736 -5.057 -8.544
219 1HB LEU 28 1HB LEU 28 -2.041 -2.060 -8.659
220 2HB LEU 28 2HB LEU 28 -2.473 -3.169 -9.946
221 HG LEU 28 HG LEU 28 -3.711 -3.320 -7.205
222 1HD1 LEU 28 1HD1 LEU 28 -4.105 -1.097 -8.224
223 2HD1 LEU 28 2HD1 LEU 28 -5.575 -2.052 -8.033
224 3HD1 LEU 28 3HD1 LEU 28 -4.821 -1.902 -9.620
225 1HD2 LEU 28 1HD2 LEU 28 -4.209 -4.586 -9.864
226 2HD2 LEU 28 2HD2 LEU 28 -5.547 -4.351 -8.738
227 3HD2 LEU 28 3HD2 LEU 28 -4.154 -5.322 -8.261
228 H ASN 29 H ASN 29 0.469 -2.420 -7.848
229 HA ASN 29 HA ASN 29 2.440 -3.578 -9.645
230 1HB ASN 29 1HB ASN 29 2.800 -1.002 -10.372
231 2HB ASN 29 2HB ASN 29 1.915 -2.194 -11.314
232 1HD2 ASN 29 1HD2 ASN 29 1.813 0.843 -10.493
233 2HD2 ASN 29 2HD2 ASN 29 0.116 1.107 -10.357
234 H MET 30 H MET 30 4.472 -3.328 -8.834
235 HA MET 30 HA MET 30 4.732 -1.805 -6.354
236 1HB MET 30 1HB MET 30 6.874 -3.029 -6.090
237 2HB MET 30 2HB MET 30 5.488 -4.099 -6.239
238 1HG MET 30 1HG MET 30 6.060 -4.369 -8.656
239 2HG MET 30 2HG MET 30 7.541 -3.466 -8.343
240 1HE MET 30 1HE MET 30 6.002 -6.370 -8.970
241 2HE MET 30 2HE MET 30 6.473 -7.671 -7.875
242 3HE MET 30 3HE MET 30 7.551 -7.185 -9.185
243 H GLU 31 H GLU 31 5.041 -1.083 -9.481
244 HA GLU 31 HA GLU 31 5.890 0.703 -10.517
245 1HB GLU 31 1HB GLU 31 7.543 1.140 -8.030
246 2HB GLU 31 2HB GLU 31 7.403 2.249 -9.382
247 1HG GLU 31 1HG GLU 31 5.141 1.402 -7.587
248 2HG GLU 31 2HG GLU 31 6.024 2.925 -7.486
249 H ASP 32 H ASP 32 8.872 1.172 -9.584
250 HA ASP 32 HA ASP 32 9.964 -0.832 -11.376
251 1HB ASP 32 1HB ASP 32 10.406 1.979 -11.398
252 2HB ASP 32 2HB ASP 32 11.940 1.196 -11.024
253 H ASP 33 H ASP 33 9.523 -0.869 -8.338
254 HA ASP 33 HA ASP 33 10.457 -2.230 -6.770
255 1HB ASP 33 1HB ASP 33 12.787 -2.418 -8.704
256 2HB ASP 33 2HB ASP 33 12.725 -3.252 -7.160
257 H SER 34 H SER 34 10.301 0.009 -5.881
258 HA SER 34 HA SER 34 12.879 0.712 -4.768
259 1HB SER 34 1HB SER 34 12.806 3.046 -5.398
260 2HB SER 34 2HB SER 34 12.673 2.062 -6.852
261 HG SER 34 HG SER 34 11.094 3.956 -6.255
262 H ASN 35 H ASN 35 11.591 3.355 -4.057
263 HA ASN 35 HA ASN 35 10.691 2.498 -1.440
264 1HB ASN 35 1HB ASN 35 12.045 4.694 -2.342
265 2HB ASN 35 2HB ASN 35 10.465 5.346 -1.919
266 1HD2 ASN 35 1HD2 ASN 35 9.953 5.615 0.166
267 2HD2 ASN 35 2HD2 ASN 35 10.961 5.159 1.493
268 H TRP 36 H TRP 36 8.990 3.707 -4.260
269 HA TRP 36 HA TRP 36 6.583 3.879 -2.568
270 1HB TRP 36 1HB TRP 36 7.255 5.161 -5.218
271 2HB TRP 36 2HB TRP 36 5.620 5.145 -4.557
272 HD1 TRP 36 HD1 TRP 36 8.832 7.035 -4.386
273 HE1 TRP 36 HE1 TRP 36 8.684 8.873 -2.591
274 HE3 TRP 36 HE3 TRP 36 4.499 5.584 -2.088
275 HZ2 TRP 36 HZ2 TRP 36 6.962 9.609 -0.479
276 HZ3 TRP 36 HZ3 TRP 36 3.671 6.912 -0.191
277 HH2 TRP 36 HH2 TRP 36 4.878 8.882 0.599
278 H TYR 37 H TYR 37 4.896 2.516 -2.945
279 HA TYR 37 HA TYR 37 5.017 0.725 -5.290
280 1HB TYR 37 1HB TYR 37 4.417 0.181 -2.400
281 2HB TYR 37 2HB TYR 37 3.628 -0.795 -3.629
282 HD1 TYR 37 HD1 TYR 37 4.944 -2.503 -2.081
283 HD2 TYR 37 HD2 TYR 37 6.779 0.120 -4.885
284 HE1 TYR 37 HE1 TYR 37 6.910 -3.973 -2.164
285 HE2 TYR 37 HE2 TYR 37 8.748 -1.345 -4.975
286 HH TYR 37 HH TYR 37 9.597 -3.421 -2.851
287 H ARG 38 H ARG 38 2.937 0.089 -6.174
288 HA ARG 38 HA ARG 38 0.871 2.103 -5.626
289 1HB ARG 38 1HB ARG 38 1.820 0.766 -8.051
290 2HB ARG 38 2HB ARG 38 0.069 0.842 -7.929
291 1HG ARG 38 1HG ARG 38 1.687 3.300 -7.468
292 2HG ARG 38 2HG ARG 38 1.385 2.744 -9.104
293 1HD ARG 38 1HD ARG 38 -0.880 3.016 -7.174
294 2HD ARG 38 2HD ARG 38 -0.231 4.443 -7.985
295 HE ARG 38 HE ARG 38 -0.916 2.220 -9.706
296 1HH1 ARG 38 1HH1 ARG 38 -1.942 5.226 -8.277
297 2HH1 ARG 38 2HH1 ARG 38 -3.140 5.536 -9.486
298 1HH2 ARG 38 1HH2 ARG 38 -2.496 2.592 -11.274
299 2HH2 ARG 38 2HH2 ARG 38 -3.478 4.016 -11.183
300 H ALA 39 H ALA 39 -1.012 1.583 -4.713
301 HA ALA 39 HA ALA 39 -1.978 -1.176 -4.959
302 1HB ALA 39 1HB ALA 39 -2.194 -1.570 -2.715
303 2HB ALA 39 2HB ALA 39 -2.271 0.142 -2.309
304 3HB ALA 39 3HB ALA 39 -0.727 -0.597 -2.731
305 H GLU 40 H GLU 40 -4.248 -1.393 -4.145
306 HA GLU 40 HA GLU 40 -5.842 1.004 -4.810
307 1HB GLU 40 1HB GLU 40 -5.958 -0.929 -6.443
308 2HB GLU 40 2HB GLU 40 -6.665 -1.888 -5.151
309 1HG GLU 40 1HG GLU 40 -8.194 0.427 -5.213
310 2HG GLU 40 2HG GLU 40 -7.895 0.042 -6.907
311 H LEU 41 H LEU 41 -7.439 1.602 -3.386
312 HA LEU 41 HA LEU 41 -8.318 -0.248 -1.331
313 1HB LEU 41 1HB LEU 41 -7.017 0.589 0.269
314 2HB LEU 41 2HB LEU 41 -6.361 1.779 -0.831
315 HG LEU 41 HG LEU 41 -8.451 3.175 -0.255
316 1HD1 LEU 41 1HD1 LEU 41 -8.483 1.853 2.371
317 2HD1 LEU 41 2HD1 LEU 41 -9.276 0.974 1.067
318 3HD1 LEU 41 3HD1 LEU 41 -9.787 2.612 1.467
319 1HD2 LEU 41 1HD2 LEU 41 -5.966 2.735 1.210
320 2HD2 LEU 41 2HD2 LEU 41 -7.230 3.531 2.147
321 3HD2 LEU 41 3HD2 LEU 41 -6.694 4.225 0.631
322 H ASP 42 H ASP 42 -10.399 -0.046 -0.964
323 HA ASP 42 HA ASP 42 -12.555 0.532 -1.303
324 1HB ASP 42 1HB ASP 42 -13.251 2.725 -0.620
325 2HB ASP 42 2HB ASP 42 -11.945 2.202 0.436
326 H GLY 43 H GLY 43 -10.878 0.385 -3.659
327 1HA GLY 43 1HA GLY 43 -11.437 0.544 -5.918
328 2HA GLY 43 2HA GLY 43 -12.719 1.662 -5.491
329 H LYS 44 H LYS 44 -9.659 2.487 -4.200
330 HA LYS 44 HA LYS 44 -9.270 4.465 -6.353
331 1HB LYS 44 1HB LYS 44 -10.063 5.414 -4.193
332 2HB LYS 44 2HB LYS 44 -8.642 4.739 -3.408
333 1HG LYS 44 1HG LYS 44 -8.374 7.118 -3.874
334 2HG LYS 44 2HG LYS 44 -7.197 6.146 -4.755
335 1HD LYS 44 1HD LYS 44 -9.198 6.282 -6.573
336 2HD LYS 44 2HD LYS 44 -9.382 7.837 -5.758
337 1HE LYS 44 1HE LYS 44 -7.474 8.649 -6.620
338 2HE LYS 44 2HE LYS 44 -6.614 7.133 -6.377
339 1HZ LYS 44 1HZ LYS 44 -6.949 7.855 -8.749
340 2HZ LYS 44 2HZ LYS 44 -8.590 7.493 -8.547
341 3HZ LYS 44 3HZ LYS 44 -7.431 6.276 -8.384
342 H GLU 45 H GLU 45 -7.195 4.735 -7.135
343 HA GLU 45 HA GLU 45 -5.169 2.900 -6.050
344 1HB GLU 45 1HB GLU 45 -4.065 3.085 -8.290
345 2HB GLU 45 2HB GLU 45 -5.662 2.352 -8.348
346 1HG GLU 45 1HG GLU 45 -6.120 5.066 -8.719
347 2HG GLU 45 2HG GLU 45 -4.672 4.725 -9.652
348 H GLY 46 H GLY 46 -3.109 3.557 -5.690
349 1HA GLY 46 1HA GLY 46 -2.041 6.120 -6.170
350 2HA GLY 46 2HA GLY 46 -2.808 6.110 -4.586
351 H LEU 47 H LEU 47 -0.026 6.451 -5.225
352 HA LEU 47 HA LEU 47 1.480 4.129 -4.598
353 1HB LEU 47 1HB LEU 47 1.996 7.024 -4.855
354 2HB LEU 47 2HB LEU 47 3.118 6.135 -3.851
355 HG LEU 47 HG LEU 47 4.221 6.024 -5.832
356 1HD1 LEU 47 1HD1 LEU 47 3.867 3.730 -5.232
357 2HD1 LEU 47 2HD1 LEU 47 3.805 3.887 -6.988
358 3HD1 LEU 47 3HD1 LEU 47 2.316 3.711 -6.064
359 1HD2 LEU 47 1HD2 LEU 47 3.333 6.313 -7.951
360 2HD2 LEU 47 2HD2 LEU 47 2.258 7.269 -6.931
361 3HD2 LEU 47 3HD2 LEU 47 1.755 5.674 -7.488
362 H ILE 48 H ILE 48 2.678 3.711 -2.736
363 HA ILE 48 HA ILE 48 1.737 4.902 -0.201
364 HB ILE 48 HB ILE 48 2.116 1.935 -0.605
365 1HG1 ILE 48 1HG1 ILE 48 -0.472 3.485 -0.430
366 2HG1 ILE 48 2HG1 ILE 48 0.184 2.767 -1.897
367 1HG2 ILE 48 1HG2 ILE 48 1.424 1.630 1.570
368 2HG2 ILE 48 2HG2 ILE 48 0.629 3.187 1.646
369 3HG2 ILE 48 3HG2 ILE 48 2.379 3.097 1.698
370 1HD1 ILE 48 1HD1 ILE 48 -0.092 0.909 0.344
371 2HD1 ILE 48 2HD1 ILE 48 -0.524 0.723 -1.352
372 3HD1 ILE 48 3HD1 ILE 48 -1.608 1.579 -0.257
373 HA PRO 49 HA PRO 49 6.096 4.865 0.476
374 1HB PRO 49 1HB PRO 49 6.251 5.165 3.202
375 2HB PRO 49 2HB PRO 49 5.864 6.499 2.107
376 1HG PRO 49 1HG PRO 49 4.022 4.793 3.732
377 2HG PRO 49 2HG PRO 49 3.970 6.540 3.456
378 1HD PRO 49 1HD PRO 49 2.376 4.788 2.125
379 2HD PRO 49 2HD PRO 49 2.932 6.309 1.412
380 H SER 50 H SER 50 7.133 3.036 0.229
381 HA SER 50 HA SER 50 6.287 0.523 0.896
382 1HB SER 50 1HB SER 50 8.146 1.277 -0.727
383 2HB SER 50 2HB SER 50 9.222 1.080 0.656
384 HG SER 50 HG SER 50 8.885 -1.044 0.640
385 H ASN 51 H ASN 51 8.022 2.613 2.955
386 HA ASN 51 HA ASN 51 8.878 0.629 4.852
387 1HB ASN 51 1HB ASN 51 8.542 3.532 5.532
388 2HB ASN 51 2HB ASN 51 9.740 2.389 6.127
389 1HD2 ASN 51 1HD2 ASN 51 11.684 2.797 5.420
390 2HD2 ASN 51 2HD2 ASN 51 12.101 3.447 3.874
391 H TYR 52 H TYR 52 5.914 2.330 4.336
392 HA TYR 52 HA TYR 52 4.996 1.837 7.077
393 1HB TYR 52 1HB TYR 52 3.684 3.271 4.767
394 2HB TYR 52 2HB TYR 52 2.965 3.081 6.356
395 HD1 TYR 52 HD1 TYR 52 6.559 3.654 6.290
396 HD2 TYR 52 HD2 TYR 52 2.762 5.552 6.380
397 HE1 TYR 52 HE1 TYR 52 7.630 5.743 7.005
398 HE2 TYR 52 HE2 TYR 52 3.817 7.651 7.094
399 HH TYR 52 HH TYR 52 5.830 8.742 7.259
400 H ILE 53 H ILE 53 5.257 -0.043 4.471
401 HA ILE 53 HA ILE 53 2.818 -1.545 5.117
402 HB ILE 53 HB ILE 53 2.248 -0.428 3.110
403 1HG1 ILE 53 1HG1 ILE 53 1.966 -3.006 3.244
404 2HG1 ILE 53 2HG1 ILE 53 1.659 -2.183 1.733
405 1HG2 ILE 53 1HG2 ILE 53 3.583 0.102 1.374
406 2HG2 ILE 53 2HG2 ILE 53 4.541 -1.370 1.498
407 3HG2 ILE 53 3HG2 ILE 53 4.820 -0.043 2.618
408 1HD1 ILE 53 1HD1 ILE 53 3.053 -3.547 0.722
409 2HD1 ILE 53 2HD1 ILE 53 3.443 -4.315 2.257
410 3HD1 ILE 53 3HD1 ILE 53 4.374 -2.924 1.711
411 H GLU 54 H GLU 54 2.968 -3.840 4.475
412 HA GLU 54 HA GLU 54 5.671 -4.829 4.006
413 1HB GLU 54 1HB GLU 54 5.216 -6.526 5.926
414 2HB GLU 54 2HB GLU 54 5.818 -4.921 6.314
415 1HG GLU 54 1HG GLU 54 4.087 -4.575 7.637
416 2HG GLU 54 2HG GLU 54 2.983 -4.809 6.285
417 H MET 55 H MET 55 5.751 -7.087 3.470
418 HA MET 55 HA MET 55 3.942 -7.858 1.555
419 1HB MET 55 1HB MET 55 6.296 -8.866 2.588
420 2HB MET 55 2HB MET 55 5.135 -10.145 2.920
421 1HG MET 55 1HG MET 55 4.592 -10.366 0.625
422 2HG MET 55 2HG MET 55 5.472 -8.896 0.209
423 1HE MET 55 1HE MET 55 8.332 -9.151 1.669
424 2HE MET 55 2HE MET 55 7.901 -8.617 0.045
425 3HE MET 55 3HE MET 55 9.136 -9.856 0.266
426 H LYS 56 H LYS 56 2.900 -10.200 1.727
427 HA LYS 56 HA LYS 56 1.530 -10.843 4.134
428 1HB LYS 56 1HB LYS 56 0.391 -8.737 3.046
429 2HB LYS 56 2HB LYS 56 -0.350 -9.922 1.994
430 1HG LYS 56 1HG LYS 56 -0.758 -9.403 4.887
431 2HG LYS 56 2HG LYS 56 -1.938 -9.738 3.628
432 1HD LYS 56 1HD LYS 56 -0.667 -12.118 3.734
433 2HD LYS 56 2HD LYS 56 -0.447 -11.582 5.391
434 1HE LYS 56 1HE LYS 56 -2.628 -11.811 5.884
435 2HE LYS 56 2HE LYS 56 -3.152 -11.198 4.318
436 1HZ LYS 56 1HZ LYS 56 -2.310 -13.954 4.995
437 2HZ LYS 56 2HZ LYS 56 -2.449 -13.417 3.403
438 3HZ LYS 56 3HZ LYS 56 -3.807 -13.440 4.411
439 H ASN 57 H ASN 57 -0.736 -11.644 1.992
440 HA ASN 57 HA ASN 57 -1.202 -13.346 0.584
441 1HB ASN 57 1HB ASN 57 1.781 -13.478 0.440
442 2HB ASN 57 2HB ASN 57 0.809 -14.762 -0.258
443 1HD2 ASN 57 1HD2 ASN 57 2.551 -12.532 -1.302
444 2HD2 ASN 57 2HD2 ASN 57 1.605 -11.823 -2.548
445 H HIS 58 H HIS 58 1.395 -14.456 2.922
446 HA HIS 58 HA HIS 58 1.455 -16.263 4.234
447 1HB HIS 58 1HB HIS 58 -1.407 -15.482 4.221
448 2HB HIS 58 2HB HIS 58 -1.014 -17.069 4.881
449 HD1 HIS 58 HD1 HIS 58 0.947 -16.996 6.802
450 HD2 HIS 58 HD2 HIS 58 -1.048 -13.438 6.007
451 HE1 HIS 58 HE1 HIS 58 1.404 -15.511 8.778
452 HE2 HIS 58 HE2 HIS 58 0.290 -13.324 8.215
453 H ASP 59 H ASP 59 2.359 -17.447 2.480
454 HA ASP 59 HA ASP 59 2.599 -19.296 1.172
455 1HB ASP 59 1HB ASP 59 0.274 -20.033 2.905
456 2HB ASP 59 2HB ASP 59 0.702 -21.085 1.561
Start of MODEL 4
1 1H MET 1 1H MET 1 0.527 -11.374 -4.605
2 2H MET 1 2H MET 1 -0.346 -11.347 -3.131
3 3H MET 1 3H MET 1 0.874 -10.176 -3.431
4 HA MET 1 HA MET 1 -0.372 -9.128 -5.046
5 1HB MET 1 1HB MET 1 -1.436 -11.726 -5.393
6 2HB MET 1 2HB MET 1 -2.795 -10.723 -4.902
7 1HG MET 1 1HG MET 1 -2.628 -9.353 -6.765
8 2HG MET 1 2HG MET 1 -0.964 -9.831 -7.090
9 1HE MET 1 1HE MET 1 -3.999 -10.089 -9.243
10 2HE MET 1 2HE MET 1 -2.829 -10.946 -10.247
11 3HE MET 1 3HE MET 1 -2.335 -9.512 -9.345
12 H GLU 2 H GLU 2 -0.927 -10.271 -1.953
13 HA GLU 2 HA GLU 2 -2.747 -8.033 -1.504
14 1HB GLU 2 1HB GLU 2 -2.854 -10.749 -0.219
15 2HB GLU 2 2HB GLU 2 -3.622 -9.348 0.509
16 1HG GLU 2 1HG GLU 2 -5.402 -10.060 -0.652
17 2HG GLU 2 2HG GLU 2 -4.622 -9.194 -1.969
18 H ALA 3 H ALA 3 -2.384 -6.823 0.412
19 HA ALA 3 HA ALA 3 -0.170 -7.603 2.161
20 1HB ALA 3 1HB ALA 3 0.434 -4.973 1.768
21 2HB ALA 3 2HB ALA 3 -0.023 -5.490 0.145
22 3HB ALA 3 3HB ALA 3 1.263 -6.329 1.008
23 H ILE 4 H ILE 4 0.153 -5.969 3.924
24 HA ILE 4 HA ILE 4 -2.338 -4.611 4.647
25 HB ILE 4 HB ILE 4 -2.730 -5.609 6.631
26 1HG1 ILE 4 1HG1 ILE 4 -0.372 -5.114 7.518
27 2HG1 ILE 4 2HG1 ILE 4 -1.223 -6.486 8.202
28 1HG2 ILE 4 1HG2 ILE 4 -3.151 -7.688 6.040
29 2HG2 ILE 4 2HG2 ILE 4 -1.445 -8.120 6.024
30 3HG2 ILE 4 3HG2 ILE 4 -2.184 -7.401 4.600
31 1HD1 ILE 4 1HD1 ILE 4 0.330 -7.339 5.982
32 2HD1 ILE 4 2HD1 ILE 4 0.432 -7.824 7.674
33 3HD1 ILE 4 3HD1 ILE 4 1.330 -6.426 7.099
34 H ALA 5 H ALA 5 -2.179 -2.794 5.848
35 HA ALA 5 HA ALA 5 0.319 -1.425 5.824
36 1HB ALA 5 1HB ALA 5 -1.388 0.047 5.508
37 2HB ALA 5 2HB ALA 5 -1.154 0.243 7.240
38 3HB ALA 5 3HB ALA 5 -2.463 -0.773 6.638
39 H LYS 6 H LYS 6 1.858 -1.465 7.299
40 HA LYS 6 HA LYS 6 1.347 -2.618 9.950
41 1HB LYS 6 1HB LYS 6 3.388 -3.446 9.432
42 2HB LYS 6 2HB LYS 6 3.693 -2.209 8.230
43 1HG LYS 6 1HG LYS 6 4.108 -0.729 10.391
44 2HG LYS 6 2HG LYS 6 4.443 -2.310 11.098
45 1HD LYS 6 1HD LYS 6 5.807 -2.431 8.726
46 2HD LYS 6 2HD LYS 6 5.990 -0.735 9.175
47 1HE LYS 6 1HE LYS 6 7.214 -1.216 11.040
48 2HE LYS 6 2HE LYS 6 6.442 -2.783 11.277
49 1HZ LYS 6 1HZ LYS 6 7.694 -3.374 9.103
50 2HZ LYS 6 2HZ LYS 6 8.530 -3.374 10.573
51 3HZ LYS 6 3HZ LYS 6 8.683 -2.064 9.515
52 H HIS 7 H HIS 7 1.545 0.425 8.463
53 HA HIS 7 HA HIS 7 0.973 1.716 10.976
54 1HB HIS 7 1HB HIS 7 3.504 2.288 9.460
55 2HB HIS 7 2HB HIS 7 2.752 3.511 10.483
56 HD1 HIS 7 HD1 HIS 7 1.949 1.927 12.918
57 HD2 HIS 7 HD2 HIS 7 5.567 1.343 10.959
58 HE1 HIS 7 HE1 HIS 7 3.465 0.854 14.613
59 HE2 HIS 7 HE2 HIS 7 5.605 0.395 13.366
60 H ASP 8 H ASP 8 0.891 4.194 10.491
61 HA ASP 8 HA ASP 8 -1.211 4.412 8.553
62 1HB ASP 8 1HB ASP 8 -0.053 6.735 10.087
63 2HB ASP 8 2HB ASP 8 -1.706 6.509 9.526
64 H PHE 9 H PHE 9 -1.248 5.651 6.670
65 HA PHE 9 HA PHE 9 1.279 6.910 5.945
66 1HB PHE 9 1HB PHE 9 1.694 5.019 4.720
67 2HB PHE 9 2HB PHE 9 -0.006 4.611 4.576
68 HD1 PHE 9 HD1 PHE 9 2.054 7.531 3.460
69 HD2 PHE 9 HD2 PHE 9 -0.600 4.383 2.378
70 HE1 PHE 9 HE1 PHE 9 2.072 8.316 1.130
71 HE2 PHE 9 HE2 PHE 9 -0.567 5.173 0.046
72 HZ PHE 9 HZ PHE 9 0.751 7.135 -0.574
73 H SER 10 H SER 10 1.028 8.845 5.160
74 HA SER 10 HA SER 10 -1.439 9.551 3.710
75 1HB SER 10 1HB SER 10 0.278 11.489 5.302
76 2HB SER 10 2HB SER 10 -1.319 11.789 4.618
77 HG SER 10 HG SER 10 -1.027 9.733 6.501
78 H ALA 11 H ALA 11 -1.189 10.049 1.743
79 HA ALA 11 HA ALA 11 1.075 9.627 0.264
80 1HB ALA 11 1HB ALA 11 -0.828 9.624 -0.972
81 2HB ALA 11 2HB ALA 11 -0.170 11.203 -1.401
82 3HB ALA 11 3HB ALA 11 -1.463 11.082 -0.209
83 H THR 12 H THR 12 2.720 10.693 -0.459
84 HA THR 12 HA THR 12 3.073 13.457 0.442
85 HB THR 12 HB THR 12 5.010 11.161 0.141
86 HG1 THR 12 HG1 THR 12 4.035 11.648 2.159
87 1HG2 THR 12 1HG2 THR 12 6.359 13.591 0.890
88 2HG2 THR 12 2HG2 THR 12 5.724 13.713 -0.741
89 3HG2 THR 12 3HG2 THR 12 6.795 12.387 -0.318
90 H ALA 13 H ALA 13 2.033 11.962 -2.116
91 HA ALA 13 HA ALA 13 2.812 14.115 -3.892
92 1HB ALA 13 1HB ALA 13 3.446 11.217 -4.425
93 2HB ALA 13 2HB ALA 13 4.560 12.579 -4.408
94 3HB ALA 13 3HB ALA 13 3.366 12.430 -5.696
95 H ASP 14 H ASP 14 1.541 14.051 -5.856
96 HA ASP 14 HA ASP 14 -1.179 13.828 -5.289
97 1HB ASP 14 1HB ASP 14 -0.221 15.415 -6.899
98 2HB ASP 14 2HB ASP 14 0.125 14.084 -7.997
99 H ASP 15 H ASP 15 0.942 11.542 -6.805
100 HA ASP 15 HA ASP 15 -1.278 9.966 -7.800
101 1HB ASP 15 1HB ASP 15 1.489 10.303 -8.443
102 2HB ASP 15 2HB ASP 15 1.145 8.595 -8.191
103 H GLU 16 H GLU 16 -0.487 10.194 -4.824
104 HA GLU 16 HA GLU 16 -0.210 7.332 -4.215
105 1HB GLU 16 1HB GLU 16 0.614 9.783 -2.696
106 2HB GLU 16 2HB GLU 16 0.513 8.199 -1.946
107 1HG GLU 16 1HG GLU 16 2.209 7.334 -3.349
108 2HG GLU 16 2HG GLU 16 2.191 8.768 -4.369
109 H LEU 17 H LEU 17 -1.192 6.635 -2.171
110 HA LEU 17 HA LEU 17 -3.849 7.880 -1.863
111 1HB LEU 17 1HB LEU 17 -4.552 5.588 -1.021
112 2HB LEU 17 2HB LEU 17 -4.271 5.774 -2.734
113 HG LEU 17 HG LEU 17 -1.913 4.836 -2.230
114 1HD1 LEU 17 1HD1 LEU 17 -2.430 5.048 0.299
115 2HD1 LEU 17 2HD1 LEU 17 -1.586 3.639 -0.289
116 3HD1 LEU 17 3HD1 LEU 17 -3.285 3.535 0.082
117 1HD2 LEU 17 1HD2 LEU 17 -3.965 2.747 -1.802
118 2HD2 LEU 17 2HD2 LEU 17 -2.644 2.819 -2.961
119 3HD2 LEU 17 3HD2 LEU 17 -4.118 3.745 -3.246
120 H SER 18 H SER 18 -4.379 6.102 0.541
121 HA SER 18 HA SER 18 -2.448 6.953 2.501
122 1HB SER 18 1HB SER 18 -5.099 8.252 2.193
123 2HB SER 18 2HB SER 18 -4.646 7.786 3.832
124 HG SER 18 HG SER 18 -3.569 9.590 3.794
125 H PHE 19 H PHE 19 -2.790 5.826 4.548
126 HA PHE 19 HA PHE 19 -4.932 3.921 4.787
127 1HB PHE 19 1HB PHE 19 -2.843 3.133 3.192
128 2HB PHE 19 2HB PHE 19 -2.359 2.496 4.756
129 HD1 PHE 19 HD1 PHE 19 -5.753 2.795 3.278
130 HD2 PHE 19 HD2 PHE 19 -2.652 0.226 4.578
131 HE1 PHE 19 HE1 PHE 19 -7.220 0.844 2.914
132 HE2 PHE 19 HE2 PHE 19 -4.092 -1.730 4.230
133 HZ PHE 19 HZ PHE 19 -6.386 -1.422 3.389
134 H ARG 20 H ARG 20 -4.696 2.575 6.741
135 HA ARG 20 HA ARG 20 -3.020 3.865 8.782
136 1HB ARG 20 1HB ARG 20 -5.757 4.006 8.637
137 2HB ARG 20 2HB ARG 20 -5.519 2.657 9.737
138 1HG ARG 20 1HG ARG 20 -4.929 4.000 11.404
139 2HG ARG 20 2HG ARG 20 -3.803 4.890 10.381
140 1HD ARG 20 1HD ARG 20 -6.695 5.372 9.973
141 2HD ARG 20 2HD ARG 20 -5.965 6.018 11.439
142 HE ARG 20 HE ARG 20 -5.424 6.842 8.701
143 1HH1 ARG 20 1HH1 ARG 20 -4.561 7.078 12.082
144 2HH1 ARG 20 2HH1 ARG 20 -3.685 8.556 11.880
145 1HH2 ARG 20 1HH2 ARG 20 -4.268 8.784 8.441
146 2HH2 ARG 20 2HH2 ARG 20 -3.518 9.525 9.816
147 H LYS 21 H LYS 21 -2.475 2.569 10.618
148 HA LYS 21 HA LYS 21 -1.401 0.067 10.046
149 1HB LYS 21 1HB LYS 21 -0.345 0.684 11.894
150 2HB LYS 21 2HB LYS 21 -1.573 1.869 12.268
151 1HG LYS 21 1HG LYS 21 -1.985 -1.011 12.975
152 2HG LYS 21 2HG LYS 21 -0.972 0.024 13.977
153 1HD LYS 21 1HD LYS 21 -3.912 0.258 13.422
154 2HD LYS 21 2HD LYS 21 -3.094 0.109 14.969
155 1HE LYS 21 1HE LYS 21 -3.102 2.505 13.138
156 2HE LYS 21 2HE LYS 21 -3.896 2.361 14.702
157 1HZ LYS 21 1HZ LYS 21 -1.106 2.872 14.086
158 2HZ LYS 21 2HZ LYS 21 -1.386 1.826 15.385
159 3HZ LYS 21 3HZ LYS 21 -2.040 3.385 15.400
160 H GLY 22 H GLY 22 -2.121 -1.950 10.061
161 1HA GLY 22 1HA GLY 22 -3.446 -3.755 10.783
162 2HA GLY 22 2HA GLY 22 -4.632 -2.618 11.393
163 H GLN 23 H GLN 23 -4.309 -1.279 8.529
164 HA GLN 23 HA GLN 23 -6.566 -2.722 7.491
165 1HB GLN 23 1HB GLN 23 -5.118 -0.445 6.169
166 2HB GLN 23 2HB GLN 23 -6.740 -1.026 5.813
167 1HG GLN 23 1HG GLN 23 -7.162 -0.465 8.327
168 2HG GLN 23 2HG GLN 23 -5.755 0.572 8.122
169 1HE2 GLN 23 1HE2 GLN 23 -5.914 2.377 6.851
170 2HE2 GLN 23 2HE2 GLN 23 -7.401 3.003 6.262
171 H ILE 24 H ILE 24 -6.787 -3.290 5.182
172 HA ILE 24 HA ILE 24 -4.383 -4.733 4.312
173 HB ILE 24 HB ILE 24 -6.302 -6.118 4.827
174 1HG1 ILE 24 1HG1 ILE 24 -4.689 -6.608 2.868
175 2HG1 ILE 24 2HG1 ILE 24 -6.163 -7.524 2.977
176 1HG2 ILE 24 1HG2 ILE 24 -7.825 -4.929 2.538
177 2HG2 ILE 24 2HG2 ILE 24 -7.949 -4.269 4.165
178 3HG2 ILE 24 3HG2 ILE 24 -8.404 -5.935 3.857
179 1HD1 ILE 24 1HD1 ILE 24 -6.686 -6.963 0.918
180 2HD1 ILE 24 2HD1 ILE 24 -5.202 -6.017 0.810
181 3HD1 ILE 24 3HD1 ILE 24 -6.689 -5.261 1.373
182 H LEU 25 H LEU 25 -3.271 -3.650 2.830
183 HA LEU 25 HA LEU 25 -4.632 -2.094 0.750
184 1HB LEU 25 1HB LEU 25 -1.974 -2.101 2.000
185 2HB LEU 25 2HB LEU 25 -1.923 -1.909 0.261
186 HG LEU 25 HG LEU 25 -3.359 -0.128 2.203
187 1HD1 LEU 25 1HD1 LEU 25 -0.740 -0.138 1.710
188 2HD1 LEU 25 2HD1 LEU 25 -1.654 1.333 2.045
189 3HD1 LEU 25 3HD1 LEU 25 -1.297 0.875 0.388
190 1HD2 LEU 25 1HD2 LEU 25 -3.291 1.129 -0.241
191 2HD2 LEU 25 2HD2 LEU 25 -4.694 0.398 0.531
192 3HD2 LEU 25 3HD2 LEU 25 -3.744 -0.532 -0.623
193 H LYS 26 H LYS 26 -4.665 -2.741 -1.409
194 HA LYS 26 HA LYS 26 -3.655 -5.423 -1.958
195 1HB LYS 26 1HB LYS 26 -5.630 -3.611 -3.273
196 2HB LYS 26 2HB LYS 26 -4.912 -4.909 -4.209
197 1HG LYS 26 1HG LYS 26 -6.547 -5.169 -1.696
198 2HG LYS 26 2HG LYS 26 -7.021 -5.632 -3.332
199 1HD LYS 26 1HD LYS 26 -4.555 -6.837 -2.168
200 2HD LYS 26 2HD LYS 26 -6.122 -7.419 -1.611
201 1HE LYS 26 1HE LYS 26 -5.462 -7.200 -4.531
202 2HE LYS 26 2HE LYS 26 -5.021 -8.621 -3.592
203 1HZ LYS 26 1HZ LYS 26 -7.047 -9.303 -4.234
204 2HZ LYS 26 2HZ LYS 26 -7.631 -7.737 -4.495
205 3HZ LYS 26 3HZ LYS 26 -7.582 -8.370 -2.928
206 H ILE 27 H ILE 27 -1.801 -5.797 -3.001
207 HA ILE 27 HA ILE 27 -0.389 -3.594 -4.253
208 HB ILE 27 HB ILE 27 0.512 -6.468 -4.125
209 1HG1 ILE 27 1HG1 ILE 27 0.931 -4.270 -2.082
210 2HG1 ILE 27 2HG1 ILE 27 -0.006 -5.742 -1.847
211 1HG2 ILE 27 1HG2 ILE 27 1.860 -3.838 -4.630
212 2HG2 ILE 27 2HG2 ILE 27 1.869 -5.297 -5.621
213 3HG2 ILE 27 3HG2 ILE 27 2.771 -5.254 -4.105
214 1HD1 ILE 27 1HD1 ILE 27 2.970 -5.527 -2.231
215 2HD1 ILE 27 2HD1 ILE 27 2.079 -7.046 -2.167
216 3HD1 ILE 27 3HD1 ILE 27 2.108 -5.982 -0.761
217 H LEU 28 H LEU 28 -0.066 -3.310 -6.345
218 HA LEU 28 HA LEU 28 -1.059 -5.298 -8.291
219 1HB LEU 28 1HB LEU 28 -1.353 -2.666 -9.348
220 2HB LEU 28 2HB LEU 28 -2.572 -3.900 -9.116
221 HG LEU 28 HG LEU 28 -1.916 -2.441 -6.656
222 1HD1 LEU 28 1HD1 LEU 28 -2.184 -0.338 -7.300
223 2HD1 LEU 28 2HD1 LEU 28 -3.636 -0.742 -8.214
224 3HD1 LEU 28 3HD1 LEU 28 -2.050 -0.885 -8.969
225 1HD2 LEU 28 1HD2 LEU 28 -4.553 -2.787 -8.059
226 2HD2 LEU 28 2HD2 LEU 28 -4.256 -2.499 -6.345
227 3HD2 LEU 28 3HD2 LEU 28 -3.821 -4.048 -7.066
228 H ASN 29 H ASN 29 0.986 -2.526 -7.614
229 HA ASN 29 HA ASN 29 3.063 -3.558 -9.371
230 1HB ASN 29 1HB ASN 29 3.293 -1.286 -10.459
231 2HB ASN 29 2HB ASN 29 1.951 -2.292 -10.992
232 1HD2 ASN 29 1HD2 ASN 29 2.669 0.733 -10.572
233 2HD2 ASN 29 2HD2 ASN 29 1.180 1.364 -9.974
234 H MET 30 H MET 30 5.124 -2.874 -8.675
235 HA MET 30 HA MET 30 5.169 -1.447 -6.141
236 1HB MET 30 1HB MET 30 7.601 -2.074 -6.137
237 2HB MET 30 2HB MET 30 6.482 -3.429 -6.156
238 1HG MET 30 1HG MET 30 7.468 -2.449 -8.768
239 2HG MET 30 2HG MET 30 8.614 -3.297 -7.730
240 1HE MET 30 1HE MET 30 6.833 -6.350 -6.741
241 2HE MET 30 2HE MET 30 8.240 -5.293 -6.621
242 3HE MET 30 3HE MET 30 8.211 -6.591 -7.815
243 H GLU 31 H GLU 31 5.125 -0.472 -9.209
244 HA GLU 31 HA GLU 31 5.406 1.538 -10.130
245 1HB GLU 31 1HB GLU 31 5.283 2.348 -7.713
246 2HB GLU 31 2HB GLU 31 7.030 2.498 -7.805
247 1HG GLU 31 1HG GLU 31 5.960 3.729 -10.115
248 2HG GLU 31 2HG GLU 31 5.013 4.288 -8.737
249 H ASP 32 H ASP 32 8.029 2.956 -9.286
250 HA ASP 32 HA ASP 32 9.639 1.490 -11.140
251 1HB ASP 32 1HB ASP 32 9.857 4.446 -10.786
252 2HB ASP 32 2HB ASP 32 10.735 3.440 -11.936
253 H ASP 33 H ASP 33 9.572 1.511 -8.076
254 HA ASP 33 HA ASP 33 12.355 0.926 -7.922
255 1HB ASP 33 1HB ASP 33 11.673 3.549 -7.598
256 2HB ASP 33 2HB ASP 33 11.662 2.981 -5.932
257 H SER 34 H SER 34 12.980 0.255 -5.804
258 HA SER 34 HA SER 34 11.119 -1.542 -4.567
259 1HB SER 34 1HB SER 34 13.960 -0.710 -4.091
260 2HB SER 34 2HB SER 34 13.101 -1.702 -2.915
261 HG SER 34 HG SER 34 12.643 -3.131 -4.749
262 H ASN 35 H ASN 35 11.953 1.862 -3.933
263 HA ASN 35 HA ASN 35 11.173 1.500 -1.175
264 1HB ASN 35 1HB ASN 35 13.105 2.933 -1.845
265 2HB ASN 35 2HB ASN 35 11.951 4.093 -2.493
266 1HD2 ASN 35 1HD2 ASN 35 12.036 5.760 -1.159
267 2HD2 ASN 35 2HD2 ASN 35 11.848 5.686 0.556
268 H TRP 36 H TRP 36 9.292 1.934 -3.827
269 HA TRP 36 HA TRP 36 7.181 3.112 -2.175
270 1HB TRP 36 1HB TRP 36 7.878 4.024 -4.984
271 2HB TRP 36 2HB TRP 36 6.454 4.524 -4.079
272 HD1 TRP 36 HD1 TRP 36 10.016 5.433 -4.670
273 HE1 TRP 36 HE1 TRP 36 10.695 7.388 -3.140
274 HE3 TRP 36 HE3 TRP 36 5.976 5.458 -1.536
275 HZ2 TRP 36 HZ2 TRP 36 9.657 8.757 -0.900
276 HZ3 TRP 36 HZ3 TRP 36 5.895 7.124 0.270
277 HH2 TRP 36 HH2 TRP 36 7.700 8.737 0.584
278 H TYR 37 H TYR 37 5.215 2.051 -2.515
279 HA TYR 37 HA TYR 37 5.119 0.203 -4.811
280 1HB TYR 37 1HB TYR 37 4.638 -0.298 -1.920
281 2HB TYR 37 2HB TYR 37 3.594 -1.129 -3.068
282 HD1 TYR 37 HD1 TYR 37 4.269 -3.348 -3.117
283 HD2 TYR 37 HD2 TYR 37 7.234 -0.306 -3.231
284 HE1 TYR 37 HE1 TYR 37 6.006 -5.055 -3.464
285 HE2 TYR 37 HE2 TYR 37 8.975 -1.996 -3.585
286 HH TYR 37 HH TYR 37 8.618 -5.152 -2.970
287 H ARG 38 H ARG 38 3.182 -0.067 -5.852
288 HA ARG 38 HA ARG 38 1.169 1.987 -5.304
289 1HB ARG 38 1HB ARG 38 2.277 1.598 -7.594
290 2HB ARG 38 2HB ARG 38 1.230 0.194 -7.699
291 1HG ARG 38 1HG ARG 38 -0.451 1.458 -8.387
292 2HG ARG 38 2HG ARG 38 -0.340 2.435 -6.922
293 1HD ARG 38 1HD ARG 38 0.968 4.034 -7.923
294 2HD ARG 38 2HD ARG 38 1.617 2.915 -9.117
295 HE ARG 38 HE ARG 38 -0.860 3.015 -9.957
296 1HH1 ARG 38 1HH1 ARG 38 1.103 5.658 -8.783
297 2HH1 ARG 38 2HH1 ARG 38 0.281 6.849 -9.731
298 1HH2 ARG 38 1HH2 ARG 38 -1.937 4.587 -11.203
299 2HH2 ARG 38 2HH2 ARG 38 -1.442 6.243 -11.103
300 H ALA 39 H ALA 39 -0.773 1.515 -4.470
301 HA ALA 39 HA ALA 39 -1.890 -1.153 -4.854
302 1HB ALA 39 1HB ALA 39 -1.141 -0.030 -2.221
303 2HB ALA 39 2HB ALA 39 -1.000 -1.670 -2.810
304 3HB ALA 39 3HB ALA 39 -2.570 -1.032 -2.326
305 H GLU 40 H GLU 40 -4.142 -1.228 -3.707
306 HA GLU 40 HA GLU 40 -5.551 1.313 -4.223
307 1HB GLU 40 1HB GLU 40 -7.512 -0.051 -4.919
308 2HB GLU 40 2HB GLU 40 -6.137 -0.233 -5.998
309 1HG GLU 40 1HG GLU 40 -6.020 -2.417 -5.632
310 2HG GLU 40 2HG GLU 40 -6.134 -2.204 -3.887
311 H LEU 41 H LEU 41 -7.325 1.782 -2.876
312 HA LEU 41 HA LEU 41 -8.139 -0.056 -0.818
313 1HB LEU 41 1HB LEU 41 -7.526 1.176 1.072
314 2HB LEU 41 2HB LEU 41 -6.093 1.143 0.075
315 HG LEU 41 HG LEU 41 -7.666 3.510 -0.472
316 1HD1 LEU 41 1HD1 LEU 41 -8.438 3.811 1.632
317 2HD1 LEU 41 2HD1 LEU 41 -6.805 4.406 1.900
318 3HD1 LEU 41 3HD1 LEU 41 -7.225 2.756 2.341
319 1HD2 LEU 41 1HD2 LEU 41 -4.935 2.665 -0.184
320 2HD2 LEU 41 2HD2 LEU 41 -5.212 4.166 0.687
321 3HD2 LEU 41 3HD2 LEU 41 -5.591 4.064 -1.027
322 H ASP 42 H ASP 42 -10.216 0.255 -0.291
323 HA ASP 42 HA ASP 42 -12.363 0.966 -0.519
324 1HB ASP 42 1HB ASP 42 -10.943 3.582 -0.075
325 2HB ASP 42 2HB ASP 42 -12.693 3.487 -0.243
326 H GLY 43 H GLY 43 -10.745 0.667 -2.981
327 1HA GLY 43 1HA GLY 43 -11.421 0.751 -5.215
328 2HA GLY 43 2HA GLY 43 -12.655 1.918 -4.772
329 H LYS 44 H LYS 44 -9.562 2.726 -3.592
330 HA LYS 44 HA LYS 44 -9.178 4.615 -5.824
331 1HB LYS 44 1HB LYS 44 -8.265 5.007 -2.968
332 2HB LYS 44 2HB LYS 44 -8.315 6.207 -4.251
333 1HG LYS 44 1HG LYS 44 -10.883 4.949 -3.505
334 2HG LYS 44 2HG LYS 44 -10.155 6.049 -2.333
335 1HD LYS 44 1HD LYS 44 -9.982 7.212 -4.938
336 2HD LYS 44 2HD LYS 44 -11.644 6.694 -4.648
337 1HE LYS 44 1HE LYS 44 -11.684 8.808 -3.751
338 2HE LYS 44 2HE LYS 44 -11.280 7.849 -2.328
339 1HZ LYS 44 1HZ LYS 44 -9.516 9.571 -3.952
340 2HZ LYS 44 2HZ LYS 44 -8.871 8.339 -2.988
341 3HZ LYS 44 3HZ LYS 44 -9.767 9.586 -2.278
342 H GLU 45 H GLU 45 -7.137 4.759 -6.712
343 HA GLU 45 HA GLU 45 -5.128 2.887 -5.645
344 1HB GLU 45 1HB GLU 45 -4.262 2.733 -7.946
345 2HB GLU 45 2HB GLU 45 -5.927 2.190 -7.808
346 1HG GLU 45 1HG GLU 45 -6.284 4.799 -8.449
347 2HG GLU 45 2HG GLU 45 -4.791 4.435 -9.311
348 H GLY 46 H GLY 46 -3.077 3.512 -5.328
349 1HA GLY 46 1HA GLY 46 -1.870 5.818 -6.430
350 2HA GLY 46 2HA GLY 46 -2.446 6.180 -4.809
351 H LEU 47 H LEU 47 0.234 6.284 -5.539
352 HA LEU 47 HA LEU 47 1.692 3.963 -4.827
353 1HB LEU 47 1HB LEU 47 2.261 6.780 -5.385
354 2HB LEU 47 2HB LEU 47 3.370 6.035 -4.249
355 HG LEU 47 HG LEU 47 3.071 4.212 -6.386
356 1HD1 LEU 47 1HD1 LEU 47 4.166 6.536 -7.730
357 2HD1 LEU 47 2HD1 LEU 47 2.454 6.725 -7.350
358 3HD1 LEU 47 3HD1 LEU 47 2.998 5.343 -8.298
359 1HD2 LEU 47 1HD2 LEU 47 5.155 4.082 -5.585
360 2HD2 LEU 47 2HD2 LEU 47 5.160 5.764 -5.053
361 3HD2 LEU 47 3HD2 LEU 47 5.511 5.370 -6.733
362 H ILE 48 H ILE 48 2.921 3.607 -2.968
363 HA ILE 48 HA ILE 48 2.129 5.008 -0.494
364 HB ILE 48 HB ILE 48 2.343 2.004 -0.618
365 1HG1 ILE 48 1HG1 ILE 48 -0.333 2.964 -0.164
366 2HG1 ILE 48 2HG1 ILE 48 0.261 3.528 -1.716
367 1HG2 ILE 48 1HG2 ILE 48 2.635 2.565 1.579
368 2HG2 ILE 48 2HG2 ILE 48 0.880 2.396 1.518
369 3HG2 ILE 48 3HG2 ILE 48 1.614 3.987 1.456
370 1HD1 ILE 48 1HD1 ILE 48 1.010 0.948 -1.812
371 2HD1 ILE 48 2HD1 ILE 48 -0.522 1.569 -2.428
372 3HD1 ILE 48 3HD1 ILE 48 -0.442 0.839 -0.827
373 HA PRO 49 HA PRO 49 6.464 4.645 0.197
374 1HB PRO 49 1HB PRO 49 6.666 4.995 2.909
375 2HB PRO 49 2HB PRO 49 6.309 6.339 1.826
376 1HG PRO 49 1HG PRO 49 4.447 4.713 3.495
377 2HG PRO 49 2HG PRO 49 4.441 6.458 3.192
378 1HD PRO 49 1HD PRO 49 2.793 4.711 1.925
379 2HD PRO 49 2HD PRO 49 3.325 6.226 1.200
380 H SER 50 H SER 50 7.325 2.709 -0.052
381 HA SER 50 HA SER 50 6.251 0.300 0.680
382 1HB SER 50 1HB SER 50 8.305 -0.732 0.008
383 2HB SER 50 2HB SER 50 8.046 0.676 -1.023
384 HG SER 50 HG SER 50 10.183 0.165 0.327
385 H ASN 51 H ASN 51 8.143 2.268 2.680
386 HA ASN 51 HA ASN 51 8.929 0.284 4.590
387 1HB ASN 51 1HB ASN 51 9.749 2.794 4.080
388 2HB ASN 51 2HB ASN 51 8.694 3.106 5.454
389 1HD2 ASN 51 1HD2 ASN 51 11.646 1.713 4.371
390 2HD2 ASN 51 2HD2 ASN 51 12.284 1.321 5.929
391 H TYR 52 H TYR 52 5.951 1.980 4.105
392 HA TYR 52 HA TYR 52 5.126 1.569 6.891
393 1HB TYR 52 1HB TYR 52 4.038 3.191 4.629
394 2HB TYR 52 2HB TYR 52 3.023 2.799 6.011
395 HD1 TYR 52 HD1 TYR 52 6.332 3.031 7.186
396 HD2 TYR 52 HD2 TYR 52 3.087 5.460 5.891
397 HE1 TYR 52 HE1 TYR 52 7.274 4.938 8.418
398 HE2 TYR 52 HE2 TYR 52 4.021 7.374 7.117
399 HH TYR 52 HH TYR 52 7.015 7.064 9.028
400 H ILE 53 H ILE 53 5.138 -0.467 4.348
401 HA ILE 53 HA ILE 53 2.740 -1.821 5.332
402 HB ILE 53 HB ILE 53 2.082 -2.379 2.957
403 1HG1 ILE 53 1HG1 ILE 53 2.867 -0.219 1.505
404 2HG1 ILE 53 2HG1 ILE 53 4.311 -0.501 2.471
405 1HG2 ILE 53 1HG2 ILE 53 0.529 -0.754 3.037
406 2HG2 ILE 53 2HG2 ILE 53 1.727 0.533 3.163
407 3HG2 ILE 53 3HG2 ILE 53 1.273 -0.391 4.593
408 1HD1 ILE 53 1HD1 ILE 53 3.043 -2.791 1.058
409 2HD1 ILE 53 2HD1 ILE 53 4.731 -2.527 1.494
410 3HD1 ILE 53 3HD1 ILE 53 4.019 -1.638 0.147
411 H GLU 54 H GLU 54 2.557 -4.061 4.162
412 HA GLU 54 HA GLU 54 5.106 -5.160 3.343
413 1HB GLU 54 1HB GLU 54 5.286 -6.815 5.093
414 2HB GLU 54 2HB GLU 54 5.263 -5.209 5.808
415 1HG GLU 54 1HG GLU 54 2.648 -5.795 5.901
416 2HG GLU 54 2HG GLU 54 3.332 -7.415 6.027
417 H MET 55 H MET 55 4.960 -7.118 2.288
418 HA MET 55 HA MET 55 2.511 -7.696 1.023
419 1HB MET 55 1HB MET 55 5.229 -8.441 0.734
420 2HB MET 55 2HB MET 55 4.294 -9.926 0.829
421 1HG MET 55 1HG MET 55 2.862 -8.269 -0.895
422 2HG MET 55 2HG MET 55 4.554 -8.053 -1.337
423 1HE MET 55 1HE MET 55 4.144 -8.647 -3.443
424 2HE MET 55 2HE MET 55 3.168 -9.999 -4.016
425 3HE MET 55 3HE MET 55 4.915 -10.180 -3.849
426 H LYS 56 H LYS 56 0.981 -9.216 1.348
427 HA LYS 56 HA LYS 56 1.359 -11.373 3.217
428 1HB LYS 56 1HB LYS 56 -0.647 -9.197 3.853
429 2HB LYS 56 2HB LYS 56 -0.480 -10.715 4.724
430 1HG LYS 56 1HG LYS 56 1.730 -8.695 4.504
431 2HG LYS 56 2HG LYS 56 0.561 -8.745 5.803
432 1HD LYS 56 1HD LYS 56 1.696 -11.346 5.379
433 2HD LYS 56 2HD LYS 56 2.956 -10.146 5.669
434 1HE LYS 56 1HE LYS 56 0.830 -9.676 7.504
435 2HE LYS 56 2HE LYS 56 1.227 -11.392 7.547
436 1HZ LYS 56 1HZ LYS 56 3.598 -10.691 7.809
437 2HZ LYS 56 2HZ LYS 56 2.598 -10.317 9.121
438 3HZ LYS 56 3HZ LYS 56 3.049 -9.105 8.031
439 H ASN 57 H ASN 57 -1.739 -11.318 3.566
440 HA ASN 57 HA ASN 57 -2.616 -11.867 0.863
441 1HB ASN 57 1HB ASN 57 -3.446 -14.163 1.541
442 2HB ASN 57 2HB ASN 57 -1.707 -14.001 1.309
443 1HD2 ASN 57 1HD2 ASN 57 -4.220 -13.934 3.787
444 2HD2 ASN 57 2HD2 ASN 57 -3.239 -14.588 5.049
445 H HIS 58 H HIS 58 -3.258 -10.295 3.506
446 HA HIS 58 HA HIS 58 -5.060 -9.377 4.434
447 1HB HIS 58 1HB HIS 58 -5.901 -9.126 2.126
448 2HB HIS 58 2HB HIS 58 -6.645 -10.713 2.225
449 HD1 HIS 58 HD1 HIS 58 -6.825 -7.951 4.828
450 HD2 HIS 58 HD2 HIS 58 -9.279 -10.048 2.217
451 HE1 HIS 58 HE1 HIS 58 -9.168 -7.228 5.381
452 HE2 HIS 58 HE2 HIS 58 -10.640 -8.609 3.876
453 H ASP 59 H ASP 59 -7.760 -11.082 4.161
454 HA ASP 59 HA ASP 59 -8.887 -12.548 5.458
455 1HB ASP 59 1HB ASP 59 -6.146 -13.743 5.463
456 2HB ASP 59 2HB ASP 59 -7.347 -14.370 6.586
Start of MODEL 5
1 1H MET 1 1H MET 1 0.671 -9.762 -2.971
2 2H MET 1 2H MET 1 1.434 -9.791 -4.496
3 3H MET 1 3H MET 1 0.279 -10.972 -4.099
4 HA MET 1 HA MET 1 -0.048 -8.341 -5.084
5 1HB MET 1 1HB MET 1 -2.291 -10.294 -4.846
6 2HB MET 1 2HB MET 1 -1.842 -9.284 -6.208
7 1HG MET 1 1HG MET 1 -0.023 -10.808 -6.760
8 2HG MET 1 2HG MET 1 -0.436 -11.807 -5.377
9 1HE MET 1 1HE MET 1 -0.815 -14.004 -6.402
10 2HE MET 1 2HE MET 1 -2.423 -14.416 -6.999
11 3HE MET 1 3HE MET 1 -2.234 -13.688 -5.403
12 H GLU 2 H GLU 2 -0.602 -9.653 -2.033
13 HA GLU 2 HA GLU 2 -2.392 -7.410 -1.505
14 1HB GLU 2 1HB GLU 2 -2.679 -10.233 -0.624
15 2HB GLU 2 2HB GLU 2 -3.117 -8.983 0.534
16 1HG GLU 2 1HG GLU 2 -4.739 -8.072 -0.970
17 2HG GLU 2 2HG GLU 2 -4.203 -9.142 -2.264
18 H ALA 3 H ALA 3 -2.021 -6.288 0.449
19 HA ALA 3 HA ALA 3 0.181 -7.178 2.168
20 1HB ALA 3 1HB ALA 3 0.246 -4.327 1.379
21 2HB ALA 3 2HB ALA 3 0.846 -5.504 0.210
22 3HB ALA 3 3HB ALA 3 1.561 -5.413 1.820
23 H ILE 4 H ILE 4 0.402 -6.017 4.101
24 HA ILE 4 HA ILE 4 -2.135 -4.790 4.983
25 HB ILE 4 HB ILE 4 -1.833 -7.039 5.960
26 1HG1 ILE 4 1HG1 ILE 4 -1.625 -5.856 8.469
27 2HG1 ILE 4 2HG1 ILE 4 -2.217 -4.562 7.430
28 1HG2 ILE 4 1HG2 ILE 4 0.230 -7.680 6.463
29 2HG2 ILE 4 2HG2 ILE 4 0.061 -6.727 7.936
30 3HG2 ILE 4 3HG2 ILE 4 0.825 -6.023 6.514
31 1HD1 ILE 4 1HD1 ILE 4 -4.122 -5.825 6.806
32 2HD1 ILE 4 2HD1 ILE 4 -3.976 -5.942 8.561
33 3HD1 ILE 4 3HD1 ILE 4 -3.471 -7.290 7.542
34 H ALA 5 H ALA 5 -2.060 -2.934 6.107
35 HA ALA 5 HA ALA 5 0.321 -1.388 6.107
36 1HB ALA 5 1HB ALA 5 -2.383 -0.951 7.340
37 2HB ALA 5 2HB ALA 5 -1.746 -0.264 5.848
38 3HB ALA 5 3HB ALA 5 -1.081 0.236 7.403
39 H LYS 6 H LYS 6 1.931 -1.355 7.496
40 HA LYS 6 HA LYS 6 1.569 -2.622 10.129
41 1HB LYS 6 1HB LYS 6 3.665 -2.768 8.440
42 2HB LYS 6 2HB LYS 6 4.175 -1.403 9.422
43 1HG LYS 6 1HG LYS 6 5.111 -3.330 10.407
44 2HG LYS 6 2HG LYS 6 3.769 -2.843 11.444
45 1HD LYS 6 1HD LYS 6 2.474 -4.529 9.807
46 2HD LYS 6 2HD LYS 6 4.088 -5.235 9.737
47 1HE LYS 6 1HE LYS 6 2.693 -4.602 12.320
48 2HE LYS 6 2HE LYS 6 2.560 -6.162 11.507
49 1HZ LYS 6 1HZ LYS 6 4.420 -6.741 12.530
50 2HZ LYS 6 2HZ LYS 6 4.654 -5.183 13.144
51 3HZ LYS 6 3HZ LYS 6 5.257 -5.588 11.617
52 H HIS 7 H HIS 7 1.687 0.431 8.673
53 HA HIS 7 HA HIS 7 1.152 1.700 11.195
54 1HB HIS 7 1HB HIS 7 3.592 2.435 9.580
55 2HB HIS 7 2HB HIS 7 2.898 3.476 10.820
56 HD1 HIS 7 HD1 HIS 7 2.799 2.324 13.287
57 HD2 HIS 7 HD2 HIS 7 5.362 0.606 10.511
58 HE1 HIS 7 HE1 HIS 7 4.337 0.853 14.619
59 HE2 HIS 7 HE2 HIS 7 5.813 -0.257 12.907
60 H ASP 8 H ASP 8 0.934 4.166 10.734
61 HA ASP 8 HA ASP 8 -1.141 4.273 8.739
62 1HB ASP 8 1HB ASP 8 -1.496 6.607 9.628
63 2HB ASP 8 2HB ASP 8 -1.608 5.337 10.843
64 H PHE 9 H PHE 9 -1.244 5.664 6.901
65 HA PHE 9 HA PHE 9 1.262 7.028 6.271
66 1HB PHE 9 1HB PHE 9 1.649 5.089 5.035
67 2HB PHE 9 2HB PHE 9 -0.049 4.909 4.608
68 HD1 PHE 9 HD1 PHE 9 2.194 7.870 4.252
69 HD2 PHE 9 HD2 PHE 9 -0.105 4.878 2.286
70 HE1 PHE 9 HE1 PHE 9 2.625 8.961 2.085
71 HE2 PHE 9 HE2 PHE 9 0.324 5.963 0.127
72 HZ PHE 9 HZ PHE 9 1.690 7.999 0.019
73 H SER 10 H SER 10 0.972 8.982 5.596
74 HA SER 10 HA SER 10 -1.483 9.712 4.133
75 1HB SER 10 1HB SER 10 0.178 11.416 6.041
76 2HB SER 10 2HB SER 10 -1.160 12.021 5.066
77 HG SER 10 HG SER 10 -1.998 9.893 6.453
78 H ALA 11 H ALA 11 -1.225 10.422 2.213
79 HA ALA 11 HA ALA 11 1.041 10.031 0.730
80 1HB ALA 11 1HB ALA 11 -1.150 10.200 -0.230
81 2HB ALA 11 2HB ALA 11 -0.057 11.350 -1.000
82 3HB ALA 11 3HB ALA 11 -1.233 11.912 0.184
83 H THR 12 H THR 12 2.741 11.086 0.108
84 HA THR 12 HA THR 12 3.161 13.801 1.127
85 HB THR 12 HB THR 12 4.945 11.405 0.892
86 HG1 THR 12 HG1 THR 12 5.696 12.525 2.905
87 1HG2 THR 12 1HG2 THR 12 5.890 13.886 -0.098
88 2HG2 THR 12 2HG2 THR 12 6.793 12.417 0.239
89 3HG2 THR 12 3HG2 THR 12 6.604 13.641 1.490
90 H ALA 13 H ALA 13 2.334 12.232 -1.568
91 HA ALA 13 HA ALA 13 2.981 14.532 -3.190
92 1HB ALA 13 1HB ALA 13 3.978 13.232 -5.007
93 2HB ALA 13 2HB ALA 13 3.923 11.785 -4.008
94 3HB ALA 13 3HB ALA 13 4.958 13.131 -3.546
95 H ASP 14 H ASP 14 1.839 14.392 -5.277
96 HA ASP 14 HA ASP 14 -0.804 13.591 -4.900
97 1HB ASP 14 1HB ASP 14 -1.096 14.280 -7.303
98 2HB ASP 14 2HB ASP 14 -0.369 15.517 -6.283
99 H ASP 15 H ASP 15 -1.969 12.034 -5.915
100 HA ASP 15 HA ASP 15 -2.415 10.151 -7.264
101 1HB ASP 15 1HB ASP 15 0.255 10.820 -8.115
102 2HB ASP 15 2HB ASP 15 0.116 9.081 -7.897
103 H GLU 16 H GLU 16 -1.257 10.385 -4.372
104 HA GLU 16 HA GLU 16 -0.417 7.615 -3.931
105 1HB GLU 16 1HB GLU 16 0.070 10.183 -2.606
106 2HB GLU 16 2HB GLU 16 -0.210 8.830 -1.516
107 1HG GLU 16 1HG GLU 16 2.074 8.794 -1.783
108 2HG GLU 16 2HG GLU 16 1.531 7.608 -2.957
109 H LEU 17 H LEU 17 -1.183 6.562 -1.950
110 HA LEU 17 HA LEU 17 -4.036 7.141 -1.490
111 1HB LEU 17 1HB LEU 17 -3.707 5.132 -2.825
112 2HB LEU 17 2HB LEU 17 -2.645 4.474 -1.595
113 HG LEU 17 HG LEU 17 -5.220 5.182 -0.478
114 1HD1 LEU 17 1HD1 LEU 17 -5.526 2.846 -2.243
115 2HD1 LEU 17 2HD1 LEU 17 -5.542 4.412 -3.049
116 3HD1 LEU 17 3HD1 LEU 17 -6.700 4.070 -1.765
117 1HD2 LEU 17 1HD2 LEU 17 -5.033 2.933 0.400
118 2HD2 LEU 17 2HD2 LEU 17 -3.494 3.761 0.544
119 3HD2 LEU 17 3HD2 LEU 17 -3.738 2.574 -0.735
120 H SER 18 H SER 18 -4.746 7.271 0.559
121 HA SER 18 HA SER 18 -2.759 7.109 2.689
122 1HB SER 18 1HB SER 18 -5.532 8.259 2.517
123 2HB SER 18 2HB SER 18 -4.771 7.976 4.082
124 HG SER 18 HG SER 18 -3.735 9.573 1.973
125 H PHE 19 H PHE 19 -3.120 5.884 4.649
126 HA PHE 19 HA PHE 19 -5.304 4.060 4.819
127 1HB PHE 19 1HB PHE 19 -4.164 1.977 4.488
128 2HB PHE 19 2HB PHE 19 -3.896 2.975 3.065
129 HD1 PHE 19 HD1 PHE 19 -1.735 3.427 2.322
130 HD2 PHE 19 HD2 PHE 19 -2.326 1.849 6.229
131 HE1 PHE 19 HE1 PHE 19 0.689 3.060 2.536
132 HE2 PHE 19 HE2 PHE 19 0.098 1.482 6.447
133 HZ PHE 19 HZ PHE 19 1.608 2.089 4.603
134 H ARG 20 H ARG 20 -5.205 2.630 6.690
135 HA ARG 20 HA ARG 20 -3.469 3.723 8.811
136 1HB ARG 20 1HB ARG 20 -5.642 4.525 9.227
137 2HB ARG 20 2HB ARG 20 -6.386 2.998 8.790
138 1HG ARG 20 1HG ARG 20 -4.622 2.733 11.079
139 2HG ARG 20 2HG ARG 20 -5.885 3.929 11.338
140 1HD ARG 20 1HD ARG 20 -7.581 2.296 10.718
141 2HD ARG 20 2HD ARG 20 -6.329 1.094 10.407
142 HE ARG 20 HE ARG 20 -5.959 1.918 13.011
143 1HH1 ARG 20 1HH1 ARG 20 -8.518 0.433 11.163
144 2HH1 ARG 20 2HH1 ARG 20 -9.162 -0.433 12.516
145 1HH2 ARG 20 1HH2 ARG 20 -6.805 0.779 14.794
146 2HH2 ARG 20 2HH2 ARG 20 -8.191 -0.237 14.578
147 H LYS 21 H LYS 21 -2.954 2.313 10.571
148 HA LYS 21 HA LYS 21 -1.924 -0.157 9.890
149 1HB LYS 21 1HB LYS 21 -2.809 0.259 12.707
150 2HB LYS 21 2HB LYS 21 -1.326 -0.452 12.094
151 1HG LYS 21 1HG LYS 21 -0.398 1.670 11.630
152 2HG LYS 21 2HG LYS 21 -1.939 2.483 11.867
153 1HD LYS 21 1HD LYS 21 -1.669 2.591 14.084
154 2HD LYS 21 2HD LYS 21 -1.091 0.926 14.182
155 1HE LYS 21 1HE LYS 21 1.110 1.532 13.835
156 2HE LYS 21 2HE LYS 21 0.677 3.049 13.048
157 1HZ LYS 21 1HZ LYS 21 0.733 4.114 14.980
158 2HZ LYS 21 2HZ LYS 21 1.442 2.733 15.654
159 3HZ LYS 21 3HZ LYS 21 -0.231 2.956 15.751
160 H GLY 22 H GLY 22 -2.613 -2.173 9.778
161 1HA GLY 22 1HA GLY 22 -3.941 -4.028 10.275
162 2HA GLY 22 2HA GLY 22 -5.131 -2.961 11.000
163 H GLN 23 H GLN 23 -4.607 -1.434 8.201
164 HA GLN 23 HA GLN 23 -6.992 -2.495 7.035
165 1HB GLN 23 1HB GLN 23 -6.315 -0.075 7.024
166 2HB GLN 23 2HB GLN 23 -5.077 -0.496 5.851
167 1HG GLN 23 1HG GLN 23 -6.569 -0.105 4.276
168 2HG GLN 23 2HG GLN 23 -7.407 -1.557 4.796
169 1HE2 GLN 23 1HE2 GLN 23 -7.304 1.917 5.019
170 2HE2 GLN 23 2HE2 GLN 23 -8.913 2.119 5.614
171 H ILE 24 H ILE 24 -7.216 -3.215 4.798
172 HA ILE 24 HA ILE 24 -4.895 -4.786 3.976
173 HB ILE 24 HB ILE 24 -6.996 -5.989 4.392
174 1HG1 ILE 24 1HG1 ILE 24 -6.989 -6.652 1.644
175 2HG1 ILE 24 2HG1 ILE 24 -5.352 -6.142 2.046
176 1HG2 ILE 24 1HG2 ILE 24 -8.576 -4.277 3.721
177 2HG2 ILE 24 2HG2 ILE 24 -8.876 -5.783 2.856
178 3HG2 ILE 24 3HG2 ILE 24 -8.072 -4.447 2.042
179 1HD1 ILE 24 1HD1 ILE 24 -5.124 -8.295 2.633
180 2HD1 ILE 24 2HD1 ILE 24 -6.854 -8.522 2.889
181 3HD1 ILE 24 3HD1 ILE 24 -5.871 -7.752 4.135
182 H LEU 25 H LEU 25 -3.628 -3.779 2.588
183 HA LEU 25 HA LEU 25 -4.762 -2.044 0.518
184 1HB LEU 25 1HB LEU 25 -2.054 -2.454 1.705
185 2HB LEU 25 2HB LEU 25 -2.151 -1.842 0.066
186 HG LEU 25 HG LEU 25 -3.357 -0.544 2.506
187 1HD1 LEU 25 1HD1 LEU 25 -1.374 0.914 0.947
188 2HD1 LEU 25 2HD1 LEU 25 -0.732 -0.548 1.700
189 3HD1 LEU 25 3HD1 LEU 25 -1.507 0.686 2.690
190 1HD2 LEU 25 1HD2 LEU 25 -3.661 -0.091 -0.391
191 2HD2 LEU 25 2HD2 LEU 25 -3.411 1.331 0.616
192 3HD2 LEU 25 3HD2 LEU 25 -4.761 0.252 0.942
193 H LYS 26 H LYS 26 -4.811 -2.609 -1.615
194 HA LYS 26 HA LYS 26 -3.888 -5.285 -2.308
195 1HB LYS 26 1HB LYS 26 -6.177 -4.746 -2.882
196 2HB LYS 26 2HB LYS 26 -5.658 -3.309 -3.723
197 1HG LYS 26 1HG LYS 26 -5.835 -4.554 -5.558
198 2HG LYS 26 2HG LYS 26 -4.278 -5.224 -5.065
199 1HD LYS 26 1HD LYS 26 -5.689 -6.878 -3.677
200 2HD LYS 26 2HD LYS 26 -7.028 -6.361 -4.704
201 1HE LYS 26 1HE LYS 26 -6.224 -7.441 -6.513
202 2HE LYS 26 2HE LYS 26 -4.547 -7.062 -6.119
203 1HZ LYS 26 1HZ LYS 26 -4.328 -8.917 -4.844
204 2HZ LYS 26 2HZ LYS 26 -5.465 -9.495 -5.955
205 3HZ LYS 26 3HZ LYS 26 -5.965 -8.979 -4.422
206 H ILE 27 H ILE 27 -2.095 -5.623 -3.453
207 HA ILE 27 HA ILE 27 -0.655 -3.355 -4.577
208 HB ILE 27 HB ILE 27 0.302 -6.197 -4.675
209 1HG1 ILE 27 1HG1 ILE 27 1.063 -4.460 -2.368
210 2HG1 ILE 27 2HG1 ILE 27 -0.487 -5.292 -2.301
211 1HG2 ILE 27 1HG2 ILE 27 1.878 -3.671 -4.281
212 2HG2 ILE 27 2HG2 ILE 27 1.459 -4.295 -5.876
213 3HG2 ILE 27 3HG2 ILE 27 2.458 -5.257 -4.786
214 1HD1 ILE 27 1HD1 ILE 27 0.865 -6.815 -1.278
215 2HD1 ILE 27 2HD1 ILE 27 2.265 -6.405 -2.267
216 3HD1 ILE 27 3HD1 ILE 27 0.959 -7.376 -2.947
217 H LEU 28 H LEU 28 -0.854 -2.803 -6.604
218 HA LEU 28 HA LEU 28 -1.804 -4.758 -8.591
219 1HB LEU 28 1HB LEU 28 -1.636 -2.023 -9.563
220 2HB LEU 28 2HB LEU 28 -2.965 -3.157 -9.629
221 HG LEU 28 HG LEU 28 -3.733 -1.234 -8.494
222 1HD1 LEU 28 1HD1 LEU 28 -3.282 -2.784 -6.064
223 2HD1 LEU 28 2HD1 LEU 28 -3.898 -3.715 -7.425
224 3HD1 LEU 28 3HD1 LEU 28 -4.782 -2.302 -6.850
225 1HD2 LEU 28 1HD2 LEU 28 -1.233 -1.446 -6.860
226 2HD2 LEU 28 2HD2 LEU 28 -2.613 -0.482 -6.367
227 3HD2 LEU 28 3HD2 LEU 28 -1.771 -0.111 -7.866
228 H ASN 29 H ASN 29 0.667 -2.365 -7.895
229 HA ASN 29 HA ASN 29 2.500 -3.738 -9.688
230 1HB ASN 29 1HB ASN 29 3.216 -1.426 -10.595
231 2HB ASN 29 2HB ASN 29 1.834 -2.255 -11.301
232 1HD2 ASN 29 1HD2 ASN 29 2.679 0.615 -11.023
233 2HD2 ASN 29 2HD2 ASN 29 1.269 1.406 -10.420
234 H MET 30 H MET 30 4.599 -3.653 -8.925
235 HA MET 30 HA MET 30 4.996 -2.250 -6.401
236 1HB MET 30 1HB MET 30 6.330 -3.956 -5.824
237 2HB MET 30 2HB MET 30 5.683 -4.770 -7.235
238 1HG MET 30 1HG MET 30 7.842 -3.222 -8.157
239 2HG MET 30 2HG MET 30 8.373 -3.979 -6.660
240 1HE MET 30 1HE MET 30 6.424 -4.438 -9.796
241 2HE MET 30 2HE MET 30 6.681 -6.104 -10.314
242 3HE MET 30 3HE MET 30 7.915 -4.883 -10.626
243 H GLU 31 H GLU 31 5.331 -1.448 -9.515
244 HA GLU 31 HA GLU 31 6.239 0.336 -10.507
245 1HB GLU 31 1HB GLU 31 6.336 1.272 -8.133
246 2HB GLU 31 2HB GLU 31 8.028 0.797 -8.137
247 1HG GLU 31 1HG GLU 31 8.555 2.682 -9.164
248 2HG GLU 31 2HG GLU 31 7.546 2.224 -10.533
249 H ASP 32 H ASP 32 9.217 0.767 -9.525
250 HA ASP 32 HA ASP 32 10.316 -1.226 -11.314
251 1HB ASP 32 1HB ASP 32 12.285 0.267 -11.680
252 2HB ASP 32 2HB ASP 32 10.761 0.947 -12.241
253 H ASP 33 H ASP 33 9.817 -1.257 -8.284
254 HA ASP 33 HA ASP 33 10.708 -2.627 -6.698
255 1HB ASP 33 1HB ASP 33 11.984 -3.585 -8.876
256 2HB ASP 33 2HB ASP 33 13.362 -2.924 -8.000
257 H SER 34 H SER 34 10.637 -0.372 -5.803
258 HA SER 34 HA SER 34 13.233 0.230 -4.693
259 1HB SER 34 1HB SER 34 11.932 1.934 -6.731
260 2HB SER 34 2HB SER 34 12.610 2.791 -5.354
261 HG SER 34 HG SER 34 14.281 2.617 -6.718
262 H ASN 35 H ASN 35 12.082 2.957 -4.032
263 HA ASN 35 HA ASN 35 11.089 2.173 -1.437
264 1HB ASN 35 1HB ASN 35 11.530 4.312 -0.695
265 2HB ASN 35 2HB ASN 35 12.762 4.026 -1.914
266 1HD2 ASN 35 1HD2 ASN 35 12.013 4.750 -4.192
267 2HD2 ASN 35 2HD2 ASN 35 11.315 6.325 -4.252
268 H TRP 36 H TRP 36 9.507 3.484 -4.302
269 HA TRP 36 HA TRP 36 7.084 3.790 -2.648
270 1HB TRP 36 1HB TRP 36 7.763 4.983 -5.342
271 2HB TRP 36 2HB TRP 36 6.196 5.137 -4.553
272 HD1 TRP 36 HD1 TRP 36 9.605 6.652 -4.649
273 HE1 TRP 36 HE1 TRP 36 9.770 8.560 -2.933
274 HE3 TRP 36 HE3 TRP 36 5.252 5.822 -2.110
275 HZ2 TRP 36 HZ2 TRP 36 8.243 9.586 -0.787
276 HZ3 TRP 36 HZ3 TRP 36 4.673 7.314 -0.240
277 HH2 TRP 36 HH2 TRP 36 6.138 9.157 0.406
278 H TYR 37 H TYR 37 5.351 2.479 -3.040
279 HA TYR 37 HA TYR 37 5.415 0.727 -5.416
280 1HB TYR 37 1HB TYR 37 4.728 0.139 -2.546
281 2HB TYR 37 2HB TYR 37 4.014 -0.820 -3.832
282 HD1 TYR 37 HD1 TYR 37 7.367 0.357 -4.477
283 HD2 TYR 37 HD2 TYR 37 5.116 -2.763 -2.677
284 HE1 TYR 37 HE1 TYR 37 9.359 -1.064 -4.492
285 HE2 TYR 37 HE2 TYR 37 7.111 -4.204 -2.688
286 HH TYR 37 HH TYR 37 9.269 -4.380 -3.248
287 H ARG 38 H ARG 38 3.179 -0.050 -6.081
288 HA ARG 38 HA ARG 38 1.244 2.111 -5.604
289 1HB ARG 38 1HB ARG 38 2.069 0.690 -8.028
290 2HB ARG 38 2HB ARG 38 0.325 0.773 -7.848
291 1HG ARG 38 1HG ARG 38 2.114 3.160 -7.681
292 2HG ARG 38 2HG ARG 38 1.378 2.617 -9.175
293 1HD ARG 38 1HD ARG 38 -0.848 2.825 -8.089
294 2HD ARG 38 2HD ARG 38 -0.049 3.515 -6.678
295 HE ARG 38 HE ARG 38 0.187 5.494 -7.814
296 1HH1 ARG 38 1HH1 ARG 38 -0.698 2.982 -10.066
297 2HH1 ARG 38 2HH1 ARG 38 -0.968 4.080 -11.378
298 1HH2 ARG 38 1HH2 ARG 38 -0.169 6.941 -9.537
299 2HH2 ARG 38 2HH2 ARG 38 -0.666 6.327 -11.079
300 H ALA 39 H ALA 39 -0.605 1.714 -4.608
301 HA ALA 39 HA ALA 39 -1.762 -0.967 -4.776
302 1HB ALA 39 1HB ALA 39 -0.706 0.256 -2.306
303 2HB ALA 39 2HB ALA 39 -0.804 -1.437 -2.787
304 3HB ALA 39 3HB ALA 39 -2.239 -0.605 -2.187
305 H GLU 40 H GLU 40 -4.002 -1.074 -3.972
306 HA GLU 40 HA GLU 40 -5.382 1.526 -4.227
307 1HB GLU 40 1HB GLU 40 -7.313 0.354 -5.111
308 2HB GLU 40 2HB GLU 40 -5.902 -0.086 -6.064
309 1HG GLU 40 1HG GLU 40 -6.426 -2.201 -5.729
310 2HG GLU 40 2HG GLU 40 -6.006 -1.964 -4.037
311 H LEU 41 H LEU 41 -7.214 1.889 -2.863
312 HA LEU 41 HA LEU 41 -7.836 -0.015 -0.762
313 1HB LEU 41 1HB LEU 41 -6.124 1.019 0.404
314 2HB LEU 41 2HB LEU 41 -6.407 2.557 -0.359
315 HG LEU 41 HG LEU 41 -8.529 1.619 1.475
316 1HD1 LEU 41 1HD1 LEU 41 -5.759 1.727 2.277
317 2HD1 LEU 41 2HD1 LEU 41 -7.179 1.261 3.210
318 3HD1 LEU 41 3HD1 LEU 41 -6.703 2.955 3.123
319 1HD2 LEU 41 1HD2 LEU 41 -7.718 4.218 2.054
320 2HD2 LEU 41 2HD2 LEU 41 -9.089 3.740 1.053
321 3HD2 LEU 41 3HD2 LEU 41 -7.528 4.073 0.307
322 H ASP 42 H ASP 42 -9.905 0.071 -0.299
323 HA ASP 42 HA ASP 42 -12.102 0.574 -0.467
324 1HB ASP 42 1HB ASP 42 -10.827 3.148 0.277
325 2HB ASP 42 2HB ASP 42 -12.498 3.216 -0.277
326 H GLY 43 H GLY 43 -10.715 0.293 -2.950
327 1HA GLY 43 1HA GLY 43 -11.396 0.414 -5.174
328 2HA GLY 43 2HA GLY 43 -12.682 1.504 -4.681
329 H LYS 44 H LYS 44 -9.617 2.456 -3.594
330 HA LYS 44 HA LYS 44 -9.380 4.411 -5.797
331 1HB LYS 44 1HB LYS 44 -10.050 5.439 -3.661
332 2HB LYS 44 2HB LYS 44 -8.679 4.686 -2.858
333 1HG LYS 44 1HG LYS 44 -7.222 6.219 -3.623
334 2HG LYS 44 2HG LYS 44 -8.014 6.346 -5.192
335 1HD LYS 44 1HD LYS 44 -9.339 8.052 -4.533
336 2HD LYS 44 2HD LYS 44 -9.550 7.398 -2.907
337 1HE LYS 44 1HE LYS 44 -7.036 8.739 -3.894
338 2HE LYS 44 2HE LYS 44 -8.309 9.556 -2.991
339 1HZ LYS 44 1HZ LYS 44 -6.856 7.179 -1.975
340 2HZ LYS 44 2HZ LYS 44 -7.899 8.192 -1.112
341 3HZ LYS 44 3HZ LYS 44 -6.397 8.771 -1.631
342 H GLU 45 H GLU 45 -7.310 4.707 -6.665
343 HA GLU 45 HA GLU 45 -5.262 2.870 -5.637
344 1HB GLU 45 1HB GLU 45 -4.582 2.394 -7.751
345 2HB GLU 45 2HB GLU 45 -6.199 2.928 -8.171
346 1HG GLU 45 1HG GLU 45 -4.789 5.271 -8.237
347 2HG GLU 45 2HG GLU 45 -3.605 4.097 -8.806
348 H GLY 46 H GLY 46 -3.009 3.621 -5.765
349 1HA GLY 46 1HA GLY 46 -2.165 6.243 -5.979
350 2HA GLY 46 2HA GLY 46 -2.844 6.089 -4.367
351 H LEU 47 H LEU 47 -0.080 6.550 -5.330
352 HA LEU 47 HA LEU 47 1.540 4.286 -4.783
353 1HB LEU 47 1HB LEU 47 1.936 6.895 -5.665
354 2HB LEU 47 2HB LEU 47 2.776 6.836 -4.127
355 HG LEU 47 HG LEU 47 3.979 4.784 -4.981
356 1HD1 LEU 47 1HD1 LEU 47 2.209 4.442 -6.761
357 2HD1 LEU 47 2HD1 LEU 47 3.891 4.212 -7.241
358 3HD1 LEU 47 3HD1 LEU 47 3.040 5.697 -7.672
359 1HD2 LEU 47 1HD2 LEU 47 4.896 7.137 -4.985
360 2HD2 LEU 47 2HD2 LEU 47 4.429 7.223 -6.684
361 3HD2 LEU 47 3HD2 LEU 47 5.613 6.029 -6.155
362 H ILE 48 H ILE 48 2.861 3.926 -2.945
363 HA ILE 48 HA ILE 48 2.068 5.249 -0.451
364 HB ILE 48 HB ILE 48 1.909 3.073 0.733
365 1HG1 ILE 48 1HG1 ILE 48 1.894 1.931 -2.066
366 2HG1 ILE 48 2HG1 ILE 48 3.216 1.771 -0.912
367 1HG2 ILE 48 1HG2 ILE 48 -0.076 3.238 -1.529
368 2HG2 ILE 48 2HG2 ILE 48 -0.103 4.305 -0.128
369 3HG2 ILE 48 3HG2 ILE 48 -0.332 2.573 0.082
370 1HD1 ILE 48 1HD1 ILE 48 0.496 0.544 -0.831
371 2HD1 ILE 48 2HD1 ILE 48 1.483 0.693 0.616
372 3HD1 ILE 48 3HD1 ILE 48 2.073 -0.238 -0.758
373 HA PRO 49 HA PRO 49 6.368 4.884 0.290
374 1HB PRO 49 1HB PRO 49 6.547 5.169 3.007
375 2HB PRO 49 2HB PRO 49 6.187 6.523 1.930
376 1HG PRO 49 1HG PRO 49 4.352 4.920 3.632
377 2HG PRO 49 2HG PRO 49 4.293 6.639 3.225
378 1HD PRO 49 1HD PRO 49 2.731 4.676 2.043
379 2HD PRO 49 2HD PRO 49 3.098 6.249 1.334
380 H SER 50 H SER 50 7.289 3.009 0.015
381 HA SER 50 HA SER 50 6.304 0.548 0.655
382 1HB SER 50 1HB SER 50 8.390 -0.382 -0.043
383 2HB SER 50 2HB SER 50 8.084 1.051 -1.021
384 HG SER 50 HG SER 50 10.053 0.570 0.855
385 H ASN 51 H ASN 51 8.162 2.501 2.731
386 HA ASN 51 HA ASN 51 8.934 0.449 4.581
387 1HB ASN 51 1HB ASN 51 9.722 2.251 5.993
388 2HB ASN 51 2HB ASN 51 10.198 2.554 4.326
389 1HD2 ASN 51 1HD2 ASN 51 8.962 4.112 3.111
390 2HD2 ASN 51 2HD2 ASN 51 8.182 5.412 3.937
391 H TYR 52 H TYR 52 6.002 2.225 4.149
392 HA TYR 52 HA TYR 52 5.161 1.766 6.920
393 1HB TYR 52 1HB TYR 52 4.215 3.466 4.691
394 2HB TYR 52 2HB TYR 52 2.996 2.891 5.819
395 HD1 TYR 52 HD1 TYR 52 3.113 3.520 8.194
396 HD2 TYR 52 HD2 TYR 52 5.826 5.125 5.343
397 HE1 TYR 52 HE1 TYR 52 3.738 5.279 9.793
398 HE2 TYR 52 HE2 TYR 52 6.458 6.895 6.929
399 HH TYR 52 HH TYR 52 6.024 7.844 8.920
400 H ILE 53 H ILE 53 5.250 -0.184 4.318
401 HA ILE 53 HA ILE 53 2.774 -1.514 5.157
402 HB ILE 53 HB ILE 53 2.195 -2.131 2.928
403 1HG1 ILE 53 1HG1 ILE 53 4.471 -0.526 1.789
404 2HG1 ILE 53 2HG1 ILE 53 4.686 -2.227 2.189
405 1HG2 ILE 53 1HG2 ILE 53 2.899 0.790 2.841
406 2HG2 ILE 53 2HG2 ILE 53 1.565 0.127 3.785
407 3HG2 ILE 53 3HG2 ILE 53 1.565 -0.029 2.033
408 1HD1 ILE 53 1HD1 ILE 53 3.714 -1.177 -0.181
409 2HD1 ILE 53 2HD1 ILE 53 2.292 -1.822 0.641
410 3HD1 ILE 53 3HD1 ILE 53 3.679 -2.865 0.327
411 H GLU 54 H GLU 54 2.700 -3.776 4.751
412 HA GLU 54 HA GLU 54 5.358 -5.024 4.553
413 1HB GLU 54 1HB GLU 54 3.067 -5.997 6.264
414 2HB GLU 54 2HB GLU 54 4.693 -6.666 6.198
415 1HG GLU 54 1HG GLU 54 4.254 -3.825 6.990
416 2HG GLU 54 2HG GLU 54 4.020 -5.129 8.142
417 H MET 55 H MET 55 5.197 -5.597 2.437
418 HA MET 55 HA MET 55 2.979 -6.471 1.096
419 1HB MET 55 1HB MET 55 4.368 -6.780 -0.637
420 2HB MET 55 2HB MET 55 5.566 -6.071 0.422
421 1HG MET 55 1HG MET 55 5.311 -8.993 0.632
422 2HG MET 55 2HG MET 55 5.863 -8.390 -0.923
423 1HE MET 55 1HE MET 55 8.660 -9.609 1.959
424 2HE MET 55 2HE MET 55 7.182 -10.255 1.247
425 3HE MET 55 3HE MET 55 7.102 -9.293 2.722
426 H LYS 56 H LYS 56 1.670 -8.078 1.311
427 HA LYS 56 HA LYS 56 2.464 -10.343 2.956
428 1HB LYS 56 1HB LYS 56 0.350 -9.025 3.397
429 2HB LYS 56 2HB LYS 56 -0.305 -9.720 1.927
430 1HG LYS 56 1HG LYS 56 -1.027 -11.421 3.131
431 2HG LYS 56 2HG LYS 56 0.652 -11.893 3.394
432 1HD LYS 56 1HD LYS 56 0.318 -11.541 5.571
433 2HD LYS 56 2HD LYS 56 0.171 -9.820 5.210
434 1HE LYS 56 1HE LYS 56 -2.139 -11.746 5.048
435 2HE LYS 56 2HE LYS 56 -1.738 -10.844 6.508
436 1HZ LYS 56 1HZ LYS 56 -3.329 -9.545 5.457
437 2HZ LYS 56 2HZ LYS 56 -2.694 -9.814 3.912
438 3HZ LYS 56 3HZ LYS 56 -1.878 -8.805 4.997
439 H ASN 57 H ASN 57 -0.105 -11.269 1.019
440 HA ASN 57 HA ASN 57 -0.340 -12.605 -0.793
441 1HB ASN 57 1HB ASN 57 1.154 -10.979 -1.937
442 2HB ASN 57 2HB ASN 57 2.531 -11.965 -1.465
443 1HD2 ASN 57 1HD2 ASN 57 -0.590 -12.196 -3.129
444 2HD2 ASN 57 2HD2 ASN 57 -0.060 -13.338 -4.314
445 H HIS 58 H HIS 58 2.592 -13.097 1.174
446 HA HIS 58 HA HIS 58 3.106 -15.845 0.496
447 1HB HIS 58 1HB HIS 58 3.838 -14.019 2.770
448 2HB HIS 58 2HB HIS 58 4.399 -15.679 2.613
449 HD1 HIS 58 HD1 HIS 58 5.991 -12.790 2.448
450 HD2 HIS 58 HD2 HIS 58 5.264 -15.555 -0.567
451 HE1 HIS 58 HE1 HIS 58 7.776 -12.385 0.723
452 HE2 HIS 58 HE2 HIS 58 7.347 -14.104 -1.070
453 H ASP 59 H ASP 59 0.250 -15.124 1.241
454 HA ASP 59 HA ASP 59 -0.122 -16.398 3.782
455 1HB ASP 59 1HB ASP 59 -2.133 -15.599 1.667
456 2HB ASP 59 2HB ASP 59 -2.528 -16.128 3.299
Start of MODEL 6
1 1H MET 1 1H MET 1 -1.111 -11.582 -5.252
2 2H MET 1 2H MET 1 -2.278 -10.385 -4.881
3 3H MET 1 3H MET 1 -1.847 -11.559 -3.706
4 HA MET 1 HA MET 1 0.318 -10.690 -3.530
5 1HB MET 1 1HB MET 1 -0.543 -8.615 -5.557
6 2HB MET 1 2HB MET 1 1.057 -8.817 -4.859
7 1HG MET 1 1HG MET 1 0.376 -11.268 -6.076
8 2HG MET 1 2HG MET 1 -0.043 -9.990 -7.213
9 1HE MET 1 1HE MET 1 3.223 -8.283 -8.048
10 2HE MET 1 2HE MET 1 1.566 -7.951 -7.546
11 3HE MET 1 3HE MET 1 1.877 -9.036 -8.901
12 H GLU 2 H GLU 2 -1.256 -10.505 -1.609
13 HA GLU 2 HA GLU 2 -2.255 -7.790 -1.291
14 1HB GLU 2 1HB GLU 2 -3.685 -9.893 -0.841
15 2HB GLU 2 2HB GLU 2 -2.761 -10.007 0.640
16 1HG GLU 2 1HG GLU 2 -3.539 -7.887 1.389
17 2HG GLU 2 2HG GLU 2 -4.361 -7.608 -0.144
18 H ALA 3 H ALA 3 -1.987 -6.675 0.695
19 HA ALA 3 HA ALA 3 0.197 -7.463 2.453
20 1HB ALA 3 1HB ALA 3 1.060 -6.076 0.489
21 2HB ALA 3 2HB ALA 3 1.541 -5.607 2.109
22 3HB ALA 3 3HB ALA 3 0.260 -4.730 1.278
23 H ILE 4 H ILE 4 0.497 -5.921 4.233
24 HA ILE 4 HA ILE 4 -2.008 -4.580 4.972
25 HB ILE 4 HB ILE 4 -1.737 -6.906 6.004
26 1HG1 ILE 4 1HG1 ILE 4 -2.111 -5.057 8.252
27 2HG1 ILE 4 2HG1 ILE 4 -3.055 -4.692 6.817
28 1HG2 ILE 4 1HG2 ILE 4 -0.361 -6.036 8.336
29 2HG2 ILE 4 2HG2 ILE 4 0.682 -5.804 6.936
30 3HG2 ILE 4 3HG2 ILE 4 -0.009 -7.376 7.267
31 1HD1 ILE 4 1HD1 ILE 4 -3.017 -7.424 8.042
32 2HD1 ILE 4 2HD1 ILE 4 -4.163 -6.753 6.889
33 3HD1 ILE 4 3HD1 ILE 4 -4.144 -6.167 8.551
34 H ALA 5 H ALA 5 -1.840 -2.737 6.133
35 HA ALA 5 HA ALA 5 0.654 -1.358 6.144
36 1HB ALA 5 1HB ALA 5 -1.499 -0.244 5.796
37 2HB ALA 5 2HB ALA 5 -0.589 0.474 7.123
38 3HB ALA 5 3HB ALA 5 -1.948 -0.600 7.463
39 H LYS 6 H LYS 6 2.214 -1.426 7.613
40 HA LYS 6 HA LYS 6 1.690 -2.581 10.264
41 1HB LYS 6 1HB LYS 6 4.371 -1.476 9.604
42 2HB LYS 6 2HB LYS 6 3.948 -2.931 10.489
43 1HG LYS 6 1HG LYS 6 4.302 -4.175 8.700
44 2HG LYS 6 2HG LYS 6 3.163 -3.221 7.750
45 1HD LYS 6 1HD LYS 6 5.093 -2.870 6.563
46 2HD LYS 6 2HD LYS 6 5.166 -1.510 7.677
47 1HE LYS 6 1HE LYS 6 6.467 -4.147 8.284
48 2HE LYS 6 2HE LYS 6 7.288 -2.896 7.351
49 1HZ LYS 6 1HZ LYS 6 6.475 -1.475 9.434
50 2HZ LYS 6 2HZ LYS 6 7.968 -2.271 9.393
51 3HZ LYS 6 3HZ LYS 6 6.653 -2.980 10.188
52 H HIS 7 H HIS 7 1.959 0.442 8.758
53 HA HIS 7 HA HIS 7 1.479 1.771 11.291
54 1HB HIS 7 1HB HIS 7 3.673 2.794 9.480
55 2HB HIS 7 2HB HIS 7 3.223 3.398 11.071
56 HD1 HIS 7 HD1 HIS 7 3.796 1.761 13.123
57 HD2 HIS 7 HD2 HIS 7 5.577 0.826 9.486
58 HE1 HIS 7 HE1 HIS 7 5.670 0.178 13.678
59 HE2 HIS 7 HE2 HIS 7 6.665 -0.454 11.452
60 H ASP 8 H ASP 8 1.233 4.195 10.788
61 HA ASP 8 HA ASP 8 -0.908 4.338 8.883
62 1HB ASP 8 1HB ASP 8 0.270 6.530 10.616
63 2HB ASP 8 2HB ASP 8 -1.292 6.573 9.806
64 H PHE 9 H PHE 9 -1.001 5.568 6.975
65 HA PHE 9 HA PHE 9 1.429 7.018 6.311
66 1HB PHE 9 1HB PHE 9 2.151 5.486 4.860
67 2HB PHE 9 2HB PHE 9 0.717 4.509 5.123
68 HD1 PHE 9 HD1 PHE 9 1.862 7.494 3.191
69 HD2 PHE 9 HD2 PHE 9 -0.679 4.084 3.344
70 HE1 PHE 9 HE1 PHE 9 1.174 7.899 0.861
71 HE2 PHE 9 HE2 PHE 9 -1.381 4.501 1.029
72 HZ PHE 9 HZ PHE 9 -0.447 6.401 -0.223
73 H SER 10 H SER 10 1.159 8.836 5.282
74 HA SER 10 HA SER 10 -1.347 9.398 3.826
75 1HB SER 10 1HB SER 10 -1.447 10.615 5.963
76 2HB SER 10 2HB SER 10 0.186 11.233 5.716
77 HG SER 10 HG SER 10 -1.993 11.766 3.979
78 H ALA 11 H ALA 11 -1.100 10.030 1.861
79 HA ALA 11 HA ALA 11 1.210 9.707 0.435
80 1HB ALA 11 1HB ALA 11 -0.012 11.302 -1.225
81 2HB ALA 11 2HB ALA 11 -1.338 11.139 -0.075
82 3HB ALA 11 3HB ALA 11 -0.667 9.707 -0.854
83 H THR 12 H THR 12 2.869 10.815 -0.162
84 HA THR 12 HA THR 12 3.142 13.566 0.813
85 HB THR 12 HB THR 12 5.068 11.257 0.585
86 HG1 THR 12 HG1 THR 12 5.121 11.522 2.657
87 1HG2 THR 12 1HG2 THR 12 6.664 13.367 1.374
88 2HG2 THR 12 2HG2 THR 12 5.813 13.998 -0.029
89 3HG2 THR 12 3HG2 THR 12 6.743 12.506 -0.161
90 H ALA 13 H ALA 13 2.171 12.179 -1.788
91 HA ALA 13 HA ALA 13 3.055 14.342 -3.494
92 1HB ALA 13 1HB ALA 13 4.808 12.764 -3.931
93 2HB ALA 13 2HB ALA 13 3.701 12.738 -5.304
94 3HB ALA 13 3HB ALA 13 3.647 11.447 -4.105
95 H ASP 14 H ASP 14 1.858 14.320 -5.532
96 HA ASP 14 HA ASP 14 -0.894 14.056 -5.067
97 1HB ASP 14 1HB ASP 14 0.794 15.144 -7.096
98 2HB ASP 14 2HB ASP 14 -0.492 14.217 -7.861
99 H ASP 15 H ASP 15 1.353 11.889 -6.579
100 HA ASP 15 HA ASP 15 -0.781 10.290 -7.701
101 1HB ASP 15 1HB ASP 15 1.094 8.952 -8.639
102 2HB ASP 15 2HB ASP 15 1.133 10.654 -9.084
103 H GLU 16 H GLU 16 -0.087 10.456 -4.707
104 HA GLU 16 HA GLU 16 0.272 7.589 -4.169
105 1HB GLU 16 1HB GLU 16 0.973 10.065 -2.660
106 2HB GLU 16 2HB GLU 16 0.728 8.552 -1.799
107 1HG GLU 16 1HG GLU 16 2.464 8.219 -4.090
108 2HG GLU 16 2HG GLU 16 3.071 9.436 -2.969
109 H LEU 17 H LEU 17 -0.887 6.811 -2.179
110 HA LEU 17 HA LEU 17 -3.584 8.005 -2.094
111 1HB LEU 17 1HB LEU 17 -2.725 5.244 -2.445
112 2HB LEU 17 2HB LEU 17 -3.850 5.402 -1.120
113 HG LEU 17 HG LEU 17 -4.300 5.950 -4.024
114 1HD1 LEU 17 1HD1 LEU 17 -5.384 4.033 -3.906
115 2HD1 LEU 17 2HD1 LEU 17 -6.470 4.715 -2.698
116 3HD1 LEU 17 3HD1 LEU 17 -4.989 3.903 -2.196
117 1HD2 LEU 17 1HD2 LEU 17 -6.628 6.694 -3.000
118 2HD2 LEU 17 2HD2 LEU 17 -5.362 7.832 -3.436
119 3HD2 LEU 17 3HD2 LEU 17 -5.562 7.329 -1.755
120 H SER 18 H SER 18 -4.187 6.106 0.274
121 HA SER 18 HA SER 18 -2.415 7.099 2.319
122 1HB SER 18 1HB SER 18 -4.364 7.952 3.671
123 2HB SER 18 2HB SER 18 -3.990 8.933 2.255
124 HG SER 18 HG SER 18 -5.682 7.323 1.295
125 H PHE 19 H PHE 19 -2.689 5.880 4.329
126 HA PHE 19 HA PHE 19 -4.649 3.769 4.424
127 1HB PHE 19 1HB PHE 19 -2.400 3.245 2.930
128 2HB PHE 19 2HB PHE 19 -1.950 2.606 4.504
129 HD1 PHE 19 HD1 PHE 19 -2.872 0.598 5.309
130 HD2 PHE 19 HD2 PHE 19 -4.410 2.362 1.769
131 HE1 PHE 19 HE1 PHE 19 -4.093 -1.464 4.812
132 HE2 PHE 19 HE2 PHE 19 -5.641 0.291 1.287
133 HZ PHE 19 HZ PHE 19 -5.498 -1.608 2.807
134 H ARG 20 H ARG 20 -4.765 2.695 6.383
135 HA ARG 20 HA ARG 20 -3.158 3.895 8.536
136 1HB ARG 20 1HB ARG 20 -5.553 4.521 8.552
137 2HB ARG 20 2HB ARG 20 -5.979 2.821 8.637
138 1HG ARG 20 1HG ARG 20 -6.161 3.954 10.798
139 2HG ARG 20 2HG ARG 20 -5.007 2.624 10.820
140 1HD ARG 20 1HD ARG 20 -4.518 5.081 11.832
141 2HD ARG 20 2HD ARG 20 -3.274 3.976 11.271
142 HE ARG 20 HE ARG 20 -2.848 5.385 9.518
143 1HH1 ARG 20 1HH1 ARG 20 -5.879 6.292 10.964
144 2HH1 ARG 20 2HH1 ARG 20 -5.996 7.777 10.080
145 1HH2 ARG 20 1HH2 ARG 20 -2.989 7.334 8.365
146 2HH2 ARG 20 2HH2 ARG 20 -4.357 8.370 8.605
147 H LYS 21 H LYS 21 -2.660 2.586 10.366
148 HA LYS 21 HA LYS 21 -1.609 0.060 9.845
149 1HB LYS 21 1HB LYS 21 -0.787 1.435 11.638
150 2HB LYS 21 2HB LYS 21 -2.354 1.428 12.431
151 1HG LYS 21 1HG LYS 21 -1.218 -1.230 11.992
152 2HG LYS 21 2HG LYS 21 -0.272 -0.190 13.060
153 1HD LYS 21 1HD LYS 21 -1.747 -0.419 14.718
154 2HD LYS 21 2HD LYS 21 -3.096 -0.008 13.657
155 1HE LYS 21 1HE LYS 21 -3.541 -2.188 14.433
156 2HE LYS 21 2HE LYS 21 -2.949 -2.381 12.783
157 1HZ LYS 21 1HZ LYS 21 -0.861 -2.453 14.752
158 2HZ LYS 21 2HZ LYS 21 -1.187 -3.523 13.484
159 3HZ LYS 21 3HZ LYS 21 -2.001 -3.687 14.958
160 H GLY 22 H GLY 22 -2.388 -1.934 9.897
161 1HA GLY 22 1HA GLY 22 -3.752 -3.680 10.706
162 2HA GLY 22 2HA GLY 22 -4.936 -2.491 11.219
163 H GLN 23 H GLN 23 -4.612 -1.234 8.409
164 HA GLN 23 HA GLN 23 -6.781 -2.754 7.292
165 1HB GLN 23 1HB GLN 23 -5.332 -0.414 6.069
166 2HB GLN 23 2HB GLN 23 -6.876 -1.073 5.548
167 1HG GLN 23 1HG GLN 23 -6.345 0.157 8.241
168 2HG GLN 23 2HG GLN 23 -7.070 1.000 6.872
169 1HE2 GLN 23 1HE2 GLN 23 -7.502 -1.540 9.231
170 2HE2 GLN 23 2HE2 GLN 23 -9.219 -1.654 9.082
171 H ILE 24 H ILE 24 -6.872 -3.456 4.990
172 HA ILE 24 HA ILE 24 -4.267 -4.588 4.215
173 HB ILE 24 HB ILE 24 -6.447 -5.880 2.843
174 1HG1 ILE 24 1HG1 ILE 24 -7.767 -5.275 4.847
175 2HG1 ILE 24 2HG1 ILE 24 -7.498 -7.010 4.727
176 1HG2 ILE 24 1HG2 ILE 24 -5.214 -7.688 4.552
177 2HG2 ILE 24 2HG2 ILE 24 -3.969 -6.494 4.190
178 3HG2 ILE 24 3HG2 ILE 24 -4.784 -7.341 2.880
179 1HD1 ILE 24 1HD1 ILE 24 -6.844 -5.221 6.853
180 2HD1 ILE 24 2HD1 ILE 24 -5.390 -6.006 6.251
181 3HD1 ILE 24 3HD1 ILE 24 -6.750 -6.982 6.799
182 H LEU 25 H LEU 25 -3.328 -3.649 2.600
183 HA LEU 25 HA LEU 25 -4.878 -2.261 0.538
184 1HB LEU 25 1HB LEU 25 -2.633 -1.356 -0.109
185 2HB LEU 25 2HB LEU 25 -3.185 -0.925 1.491
186 HG LEU 25 HG LEU 25 -1.702 -3.186 1.978
187 1HD1 LEU 25 1HD1 LEU 25 0.276 -1.743 0.436
188 2HD1 LEU 25 2HD1 LEU 25 -0.986 -2.424 -0.589
189 3HD1 LEU 25 3HD1 LEU 25 -0.072 -3.466 0.492
190 1HD2 LEU 25 1HD2 LEU 25 0.042 -1.085 2.300
191 2HD2 LEU 25 2HD2 LEU 25 -1.117 -1.656 3.491
192 3HD2 LEU 25 3HD2 LEU 25 -1.536 -0.323 2.413
193 H LYS 26 H LYS 26 -4.681 -2.773 -1.689
194 HA LYS 26 HA LYS 26 -3.550 -5.418 -2.250
195 1HB LYS 26 1HB LYS 26 -5.875 -5.081 -2.874
196 2HB LYS 26 2HB LYS 26 -5.444 -3.677 -3.838
197 1HG LYS 26 1HG LYS 26 -5.829 -5.519 -5.303
198 2HG LYS 26 2HG LYS 26 -4.102 -5.160 -5.306
199 1HD LYS 26 1HD LYS 26 -4.116 -7.466 -5.134
200 2HD LYS 26 2HD LYS 26 -3.996 -6.975 -3.443
201 1HE LYS 26 1HE LYS 26 -5.827 -8.157 -3.012
202 2HE LYS 26 2HE LYS 26 -6.741 -7.064 -4.048
203 1HZ LYS 26 1HZ LYS 26 -6.536 -8.483 -5.858
204 2HZ LYS 26 2HZ LYS 26 -6.800 -9.549 -4.571
205 3HZ LYS 26 3HZ LYS 26 -5.238 -9.337 -5.187
206 H ILE 27 H ILE 27 -1.643 -5.624 -3.235
207 HA ILE 27 HA ILE 27 -0.374 -3.315 -4.458
208 HB ILE 27 HB ILE 27 0.736 -6.110 -4.252
209 1HG1 ILE 27 1HG1 ILE 27 1.760 -4.168 -2.337
210 2HG1 ILE 27 2HG1 ILE 27 0.044 -4.487 -2.108
211 1HG2 ILE 27 1HG2 ILE 27 1.694 -4.146 -5.749
212 2HG2 ILE 27 2HG2 ILE 27 2.752 -5.257 -4.878
213 3HG2 ILE 27 3HG2 ILE 27 2.407 -3.660 -4.212
214 1HD1 ILE 27 1HD1 ILE 27 0.897 -6.110 -0.814
215 2HD1 ILE 27 2HD1 ILE 27 2.369 -6.276 -1.758
216 3HD1 ILE 27 3HD1 ILE 27 0.861 -6.990 -2.332
217 H LEU 28 H LEU 28 -0.448 -2.868 -6.513
218 HA LEU 28 HA LEU 28 -1.185 -4.946 -8.483
219 1HB LEU 28 1HB LEU 28 -1.433 -1.962 -8.769
220 2HB LEU 28 2HB LEU 28 -2.081 -3.190 -9.836
221 HG LEU 28 HG LEU 28 -3.054 -3.464 -7.098
222 1HD1 LEU 28 1HD1 LEU 28 -4.234 -1.127 -8.488
223 2HD1 LEU 28 2HD1 LEU 28 -2.716 -0.888 -7.623
224 3HD1 LEU 28 3HD1 LEU 28 -4.135 -1.493 -6.766
225 1HD2 LEU 28 1HD2 LEU 28 -3.859 -4.071 -9.717
226 2HD2 LEU 28 2HD2 LEU 28 -5.047 -2.927 -9.093
227 3HD2 LEU 28 3HD2 LEU 28 -4.715 -4.420 -8.216
228 H ASN 29 H ASN 29 0.975 -2.244 -7.799
229 HA ASN 29 HA ASN 29 3.007 -3.384 -9.554
230 1HB ASN 29 1HB ASN 29 3.308 -0.892 -10.429
231 2HB ASN 29 2HB ASN 29 2.320 -2.086 -11.256
232 1HD2 ASN 29 1HD2 ASN 29 2.394 1.001 -10.494
233 2HD2 ASN 29 2HD2 ASN 29 0.714 1.329 -10.287
234 H MET 30 H MET 30 5.130 -2.713 -8.990
235 HA MET 30 HA MET 30 5.321 -1.396 -6.402
236 1HB MET 30 1HB MET 30 7.263 -2.529 -6.080
237 2HB MET 30 2HB MET 30 6.563 -3.581 -7.295
238 1HG MET 30 1HG MET 30 7.991 -1.696 -8.763
239 2HG MET 30 2HG MET 30 9.004 -2.037 -7.362
240 1HE MET 30 1HE MET 30 10.861 -4.891 -8.185
241 2HE MET 30 2HE MET 30 10.702 -3.236 -7.599
242 3HE MET 30 3HE MET 30 11.023 -3.539 -9.306
243 H GLU 31 H GLU 31 5.331 -0.422 -9.555
244 HA GLU 31 HA GLU 31 5.602 1.617 -10.461
245 1HB GLU 31 1HB GLU 31 5.416 2.416 -8.051
246 2HB GLU 31 2HB GLU 31 7.167 2.578 -8.102
247 1HG GLU 31 1HG GLU 31 6.632 3.902 -10.325
248 2HG GLU 31 2HG GLU 31 5.065 4.114 -9.547
249 H ASP 32 H ASP 32 8.248 3.017 -9.501
250 HA ASP 32 HA ASP 32 9.879 1.500 -11.321
251 1HB ASP 32 1HB ASP 32 11.184 3.544 -11.844
252 2HB ASP 32 2HB ASP 32 9.516 3.505 -12.404
253 H ASP 33 H ASP 33 9.664 1.531 -8.257
254 HA ASP 33 HA ASP 33 12.374 0.748 -7.993
255 1HB ASP 33 1HB ASP 33 12.903 2.455 -6.212
256 2HB ASP 33 2HB ASP 33 12.733 3.114 -7.836
257 H SER 34 H SER 34 12.862 0.074 -5.809
258 HA SER 34 HA SER 34 10.793 -1.545 -4.642
259 1HB SER 34 1HB SER 34 12.573 -2.125 -3.037
260 2HB SER 34 2HB SER 34 13.071 -2.332 -4.715
261 HG SER 34 HG SER 34 14.717 -1.212 -3.927
262 H ASN 35 H ASN 35 11.899 1.790 -3.968
263 HA ASN 35 HA ASN 35 11.017 1.482 -1.244
264 1HB ASN 35 1HB ASN 35 12.852 3.160 -2.504
265 2HB ASN 35 2HB ASN 35 11.590 4.223 -1.892
266 1HD2 ASN 35 1HD2 ASN 35 10.905 3.714 0.399
267 2HD2 ASN 35 2HD2 ASN 35 12.186 3.398 1.506
268 H TRP 36 H TRP 36 9.297 2.126 -3.983
269 HA TRP 36 HA TRP 36 7.167 3.342 -2.386
270 1HB TRP 36 1HB TRP 36 8.184 4.316 -5.062
271 2HB TRP 36 2HB TRP 36 6.569 4.699 -4.475
272 HD1 TRP 36 HD1 TRP 36 10.073 5.909 -4.334
273 HE1 TRP 36 HE1 TRP 36 10.300 7.830 -2.636
274 HE3 TRP 36 HE3 TRP 36 5.558 5.459 -1.983
275 HZ2 TRP 36 HZ2 TRP 36 8.771 9.004 -0.578
276 HZ3 TRP 36 HZ3 TRP 36 5.018 7.017 -0.157
277 HH2 TRP 36 HH2 TRP 36 6.594 8.753 0.532
278 H TYR 37 H TYR 37 5.222 2.301 -2.774
279 HA TYR 37 HA TYR 37 5.175 0.415 -5.042
280 1HB TYR 37 1HB TYR 37 4.357 0.097 -2.177
281 2HB TYR 37 2HB TYR 37 3.523 -0.833 -3.414
282 HD1 TYR 37 HD1 TYR 37 4.317 -2.857 -2.211
283 HD2 TYR 37 HD2 TYR 37 7.048 -0.150 -4.016
284 HE1 TYR 37 HE1 TYR 37 6.079 -4.564 -2.111
285 HE2 TYR 37 HE2 TYR 37 8.814 -1.844 -3.922
286 HH TYR 37 HH TYR 37 9.353 -3.916 -3.319
287 H ARG 38 H ARG 38 2.864 -0.320 -5.527
288 HA ARG 38 HA ARG 38 1.051 1.987 -5.359
289 1HB ARG 38 1HB ARG 38 1.784 1.976 -7.607
290 2HB ARG 38 2HB ARG 38 1.698 0.230 -7.716
291 1HG ARG 38 1HG ARG 38 -0.259 0.471 -8.706
292 2HG ARG 38 2HG ARG 38 -0.913 1.019 -7.170
293 1HD ARG 38 1HD ARG 38 -1.029 3.156 -7.853
294 2HD ARG 38 2HD ARG 38 0.531 3.075 -8.667
295 HE ARG 38 HE ARG 38 -0.624 2.864 -10.606
296 1HH1 ARG 38 1HH1 ARG 38 -2.576 1.491 -8.065
297 2HH1 ARG 38 2HH1 ARG 38 -3.866 1.076 -9.133
298 1HH2 ARG 38 1HH2 ARG 38 -2.347 2.332 -11.997
299 2HH2 ARG 38 2HH2 ARG 38 -3.757 1.564 -11.348
300 H ALA 39 H ALA 39 -0.857 1.584 -4.445
301 HA ALA 39 HA ALA 39 -1.941 -1.125 -4.612
302 1HB ALA 39 1HB ALA 39 -0.615 -0.770 -2.470
303 2HB ALA 39 2HB ALA 39 -2.252 -1.407 -2.312
304 3HB ALA 39 3HB ALA 39 -1.930 0.295 -1.974
305 H GLU 40 H GLU 40 -4.154 -1.333 -3.918
306 HA GLU 40 HA GLU 40 -5.751 1.084 -4.485
307 1HB GLU 40 1HB GLU 40 -6.137 -0.528 -6.189
308 2HB GLU 40 2HB GLU 40 -6.172 -1.851 -5.037
309 1HG GLU 40 1HG GLU 40 -8.297 -0.599 -4.136
310 2HG GLU 40 2HG GLU 40 -8.305 0.097 -5.755
311 H LEU 41 H LEU 41 -7.415 1.643 -3.090
312 HA LEU 41 HA LEU 41 -8.227 -0.144 -0.951
313 1HB LEU 41 1HB LEU 41 -6.571 0.813 0.312
314 2HB LEU 41 2HB LEU 41 -6.618 2.332 -0.545
315 HG LEU 41 HG LEU 41 -9.077 2.196 0.803
316 1HD1 LEU 41 1HD1 LEU 41 -8.309 1.915 3.166
317 2HD1 LEU 41 2HD1 LEU 41 -6.841 1.193 2.533
318 3HD1 LEU 41 3HD1 LEU 41 -8.393 0.424 2.231
319 1HD2 LEU 41 1HD2 LEU 41 -7.384 4.094 0.351
320 2HD2 LEU 41 2HD2 LEU 41 -6.692 3.625 1.903
321 3HD2 LEU 41 3HD2 LEU 41 -8.372 4.156 1.810
322 H ASP 42 H ASP 42 -10.326 0.062 -0.554
323 HA ASP 42 HA ASP 42 -12.496 0.683 -0.802
324 1HB ASP 42 1HB ASP 42 -11.496 2.567 0.660
325 2HB ASP 42 2HB ASP 42 -11.633 3.557 -0.789
326 H GLY 43 H GLY 43 -11.302 0.063 -3.197
327 1HA GLY 43 1HA GLY 43 -11.783 0.169 -5.461
328 2HA GLY 43 2HA GLY 43 -13.086 1.276 -5.055
329 H LYS 44 H LYS 44 -10.059 2.245 -3.904
330 HA LYS 44 HA LYS 44 -9.736 4.138 -6.141
331 1HB LYS 44 1HB LYS 44 -10.305 4.765 -3.536
332 2HB LYS 44 2HB LYS 44 -8.548 4.796 -3.505
333 1HG LYS 44 1HG LYS 44 -8.904 6.272 -5.679
334 2HG LYS 44 2HG LYS 44 -10.456 6.589 -4.901
335 1HD LYS 44 1HD LYS 44 -8.081 6.765 -3.174
336 2HD LYS 44 2HD LYS 44 -8.216 8.011 -4.414
337 1HE LYS 44 1HE LYS 44 -10.597 8.341 -3.568
338 2HE LYS 44 2HE LYS 44 -10.122 7.355 -2.186
339 1HZ LYS 44 1HZ LYS 44 -9.558 10.097 -2.726
340 2HZ LYS 44 2HZ LYS 44 -8.139 9.229 -2.416
341 3HZ LYS 44 3HZ LYS 44 -9.395 9.230 -1.282
342 H GLU 45 H GLU 45 -7.657 4.348 -6.990
343 HA GLU 45 HA GLU 45 -5.678 2.484 -5.878
344 1HB GLU 45 1HB GLU 45 -6.119 3.520 -8.670
345 2HB GLU 45 2HB GLU 45 -4.548 2.899 -8.191
346 1HG GLU 45 1HG GLU 45 -5.232 0.838 -8.597
347 2HG GLU 45 2HG GLU 45 -6.502 1.009 -7.394
348 H GLY 46 H GLY 46 -3.383 3.180 -6.120
349 1HA GLY 46 1HA GLY 46 -2.568 5.835 -6.321
350 2HA GLY 46 2HA GLY 46 -3.089 5.571 -4.675
351 H LEU 47 H LEU 47 -0.756 6.276 -4.600
352 HA LEU 47 HA LEU 47 1.024 3.933 -4.699
353 1HB LEU 47 1HB LEU 47 1.390 6.740 -5.382
354 2HB LEU 47 2HB LEU 47 2.609 6.178 -4.269
355 HG LEU 47 HG LEU 47 2.799 4.186 -5.975
356 1HD1 LEU 47 1HD1 LEU 47 1.710 4.412 -7.886
357 2HD1 LEU 47 2HD1 LEU 47 2.489 5.966 -8.174
358 3HD1 LEU 47 3HD1 LEU 47 0.968 5.894 -7.285
359 1HD2 LEU 47 1HD2 LEU 47 4.403 6.160 -5.308
360 2HD2 LEU 47 2HD2 LEU 47 4.006 6.730 -6.930
361 3HD2 LEU 47 3HD2 LEU 47 4.731 5.140 -6.706
362 H ILE 48 H ILE 48 2.406 3.524 -2.892
363 HA ILE 48 HA ILE 48 1.737 4.984 -0.421
364 HB ILE 48 HB ILE 48 1.626 2.891 0.840
365 1HG1 ILE 48 1HG1 ILE 48 1.725 1.470 -1.828
366 2HG1 ILE 48 2HG1 ILE 48 3.096 1.581 -0.727
367 1HG2 ILE 48 1HG2 ILE 48 -0.489 1.971 -0.227
368 2HG2 ILE 48 2HG2 ILE 48 -0.235 3.160 -1.504
369 3HG2 ILE 48 3HG2 ILE 48 -0.470 3.683 0.150
370 1HD1 ILE 48 1HD1 ILE 48 1.998 0.296 0.899
371 2HD1 ILE 48 2HD1 ILE 48 1.793 -0.543 -0.635
372 3HD1 ILE 48 3HD1 ILE 48 0.457 0.384 0.050
373 HA PRO 49 HA PRO 49 6.089 4.659 0.196
374 1HB PRO 49 1HB PRO 49 6.361 4.968 2.893
375 2HB PRO 49 2HB PRO 49 5.846 6.298 1.851
376 1HG PRO 49 1HG PRO 49 4.237 4.580 3.662
377 2HG PRO 49 2HG PRO 49 4.000 6.276 3.221
378 1HD PRO 49 1HD PRO 49 2.616 4.080 2.156
379 2HD PRO 49 2HD PRO 49 2.655 5.714 1.483
380 H SER 50 H SER 50 7.172 2.813 -0.063
381 HA SER 50 HA SER 50 6.314 0.304 0.557
382 1HB SER 50 1HB SER 50 8.449 -0.510 -0.107
383 2HB SER 50 2HB SER 50 8.131 0.944 -1.055
384 HG SER 50 HG SER 50 10.273 0.764 -0.065
385 H ASN 51 H ASN 51 8.525 2.115 2.602
386 HA ASN 51 HA ASN 51 9.071 -0.012 4.398
387 1HB ASN 51 1HB ASN 51 9.260 2.985 4.673
388 2HB ASN 51 2HB ASN 51 9.791 1.872 5.929
389 1HD2 ASN 51 1HD2 ASN 51 10.722 3.590 3.265
390 2HD2 ASN 51 2HD2 ASN 51 12.189 2.753 2.908
391 H TYR 52 H TYR 52 6.201 1.757 3.978
392 HA TYR 52 HA TYR 52 5.368 1.437 6.771
393 1HB TYR 52 1HB TYR 52 4.229 2.886 4.411
394 2HB TYR 52 2HB TYR 52 3.251 2.578 5.841
395 HD1 TYR 52 HD1 TYR 52 6.700 3.845 5.084
396 HD2 TYR 52 HD2 TYR 52 3.128 4.312 7.353
397 HE1 TYR 52 HE1 TYR 52 7.648 5.837 6.163
398 HE2 TYR 52 HE2 TYR 52 4.075 6.307 8.433
399 HH TYR 52 HH TYR 52 5.756 7.804 8.386
400 H ILE 53 H ILE 53 5.426 -0.671 4.269
401 HA ILE 53 HA ILE 53 2.977 -1.968 5.237
402 HB ILE 53 HB ILE 53 2.404 -2.706 2.964
403 1HG1 ILE 53 1HG1 ILE 53 4.221 -0.598 1.850
404 2HG1 ILE 53 2HG1 ILE 53 4.864 -2.203 2.185
405 1HG2 ILE 53 1HG2 ILE 53 1.158 -0.893 3.774
406 2HG2 ILE 53 2HG2 ILE 53 1.670 -0.421 2.161
407 3HG2 ILE 53 3HG2 ILE 53 2.497 0.234 3.566
408 1HD1 ILE 53 1HD1 ILE 53 2.475 -1.687 0.450
409 2HD1 ILE 53 2HD1 ILE 53 3.328 -3.208 0.659
410 3HD1 ILE 53 3HD1 ILE 53 4.117 -1.858 -0.158
411 H GLU 54 H GLU 54 2.825 -4.269 4.485
412 HA GLU 54 HA GLU 54 5.316 -5.597 3.856
413 1HB GLU 54 1HB GLU 54 5.136 -5.142 6.439
414 2HB GLU 54 2HB GLU 54 4.001 -6.480 6.406
415 1HG GLU 54 1HG GLU 54 6.448 -6.960 6.975
416 2HG GLU 54 2HG GLU 54 5.632 -8.022 5.832
417 H MET 55 H MET 55 5.015 -7.677 3.054
418 HA MET 55 HA MET 55 2.764 -8.279 1.674
419 1HB MET 55 1HB MET 55 3.551 -10.791 2.067
420 2HB MET 55 2HB MET 55 4.424 -9.679 1.025
421 1HG MET 55 1HG MET 55 6.241 -9.758 2.296
422 2HG MET 55 2HG MET 55 5.319 -9.525 3.780
423 1HE MET 55 1HE MET 55 7.057 -12.871 1.682
424 2HE MET 55 2HE MET 55 7.910 -12.573 3.197
425 3HE MET 55 3HE MET 55 7.608 -11.243 2.079
426 H LYS 56 H LYS 56 0.801 -9.064 2.000
427 HA LYS 56 HA LYS 56 0.123 -10.659 4.289
428 1HB LYS 56 1HB LYS 56 0.017 -7.968 4.732
429 2HB LYS 56 2HB LYS 56 -1.629 -8.300 4.211
430 1HG LYS 56 1HG LYS 56 -1.706 -8.540 6.527
431 2HG LYS 56 2HG LYS 56 -1.592 -10.195 5.935
432 1HD LYS 56 1HD LYS 56 0.776 -10.252 6.420
433 2HD LYS 56 2HD LYS 56 0.756 -8.553 6.877
434 1HE LYS 56 1HE LYS 56 0.733 -9.786 8.897
435 2HE LYS 56 2HE LYS 56 -0.902 -9.163 8.673
436 1HZ LYS 56 1HZ LYS 56 -0.388 -11.690 9.254
437 2HZ LYS 56 2HZ LYS 56 -0.356 -11.796 7.567
438 3HZ LYS 56 3HZ LYS 56 -1.737 -11.215 8.351
439 H ASN 57 H ASN 57 -0.149 -11.772 2.122
440 HA ASN 57 HA ASN 57 -2.747 -11.252 0.902
441 1HB ASN 57 1HB ASN 57 -2.074 -12.692 -0.899
442 2HB ASN 57 2HB ASN 57 -0.760 -11.569 -0.564
443 1HD2 ASN 57 1HD2 ASN 57 -1.407 -14.653 -1.296
444 2HD2 ASN 57 2HD2 ASN 57 -0.024 -15.425 -0.603
445 H HIS 58 H HIS 58 -1.192 -13.373 3.048
446 HA HIS 58 HA HIS 58 -1.788 -15.139 4.214
447 1HB HIS 58 1HB HIS 58 -4.196 -13.529 4.012
448 2HB HIS 58 2HB HIS 58 -4.519 -15.218 4.387
449 HD1 HIS 58 HD1 HIS 58 -4.189 -12.253 6.112
450 HD2 HIS 58 HD2 HIS 58 -2.377 -15.964 6.555
451 HE1 HIS 58 HE1 HIS 58 -3.368 -12.320 8.488
452 HE2 HIS 58 HE2 HIS 58 -2.205 -14.544 8.709
453 H ASP 59 H ASP 59 -0.984 -16.358 2.326
454 HA ASP 59 HA ASP 59 -2.857 -18.477 1.721
455 1HB ASP 59 1HB ASP 59 -2.116 -16.467 -0.275
456 2HB ASP 59 2HB ASP 59 -1.785 -18.115 -0.800
Start of MODEL 7
1 1H MET 1 1H MET 1 -1.985 -10.971 -4.216
2 2H MET 1 2H MET 1 -0.829 -11.404 -5.407
3 3H MET 1 3H MET 1 -2.040 -10.242 -5.765
4 HA MET 1 HA MET 1 0.366 -10.017 -4.157
5 1HB MET 1 1HB MET 1 -0.767 -8.982 -6.597
6 2HB MET 1 2HB MET 1 -0.356 -7.655 -5.521
7 1HG MET 1 1HG MET 1 1.519 -8.027 -6.894
8 2HG MET 1 2HG MET 1 1.926 -8.669 -5.303
9 1HE MET 1 1HE MET 1 3.354 -11.160 -5.397
10 2HE MET 1 2HE MET 1 2.073 -12.352 -5.615
11 3HE MET 1 3HE MET 1 1.797 -10.936 -4.605
12 H GLU 2 H GLU 2 -0.764 -9.984 -2.002
13 HA GLU 2 HA GLU 2 -2.218 -7.496 -1.617
14 1HB GLU 2 1HB GLU 2 -2.673 -9.938 0.086
15 2HB GLU 2 2HB GLU 2 -3.664 -8.489 -0.025
16 1HG GLU 2 1HG GLU 2 -3.490 -9.650 -2.612
17 2HG GLU 2 2HG GLU 2 -3.910 -10.915 -1.457
18 H ALA 3 H ALA 3 -1.893 -6.404 0.356
19 HA ALA 3 HA ALA 3 0.254 -7.353 2.128
20 1HB ALA 3 1HB ALA 3 0.256 -4.791 0.573
21 2HB ALA 3 2HB ALA 3 1.530 -6.001 0.713
22 3HB ALA 3 3HB ALA 3 1.146 -4.959 2.083
23 H ILE 4 H ILE 4 0.527 -5.970 4.011
24 HA ILE 4 HA ILE 4 -2.023 -4.797 4.901
25 HB ILE 4 HB ILE 4 -1.854 -7.004 5.894
26 1HG1 ILE 4 1HG1 ILE 4 -2.616 -4.851 7.204
27 2HG1 ILE 4 2HG1 ILE 4 -2.513 -6.409 8.010
28 1HG2 ILE 4 1HG2 ILE 4 0.854 -6.563 5.935
29 2HG2 ILE 4 2HG2 ILE 4 0.006 -7.933 6.645
30 3HG2 ILE 4 3HG2 ILE 4 0.416 -6.542 7.643
31 1HD1 ILE 4 1HD1 ILE 4 -0.765 -4.029 8.271
32 2HD1 ILE 4 2HD1 ILE 4 -0.128 -5.617 8.663
33 3HD1 ILE 4 3HD1 ILE 4 -1.532 -4.990 9.525
34 H ALA 5 H ALA 5 -1.893 -2.926 6.037
35 HA ALA 5 HA ALA 5 0.566 -1.488 6.070
36 1HB ALA 5 1HB ALA 5 -2.085 -0.844 7.341
37 2HB ALA 5 2HB ALA 5 -1.549 -0.354 5.734
38 3HB ALA 5 3HB ALA 5 -0.737 0.278 7.167
39 H LYS 6 H LYS 6 2.131 -1.605 7.548
40 HA LYS 6 HA LYS 6 1.575 -2.820 10.168
41 1HB LYS 6 1HB LYS 6 3.871 -2.668 8.487
42 2HB LYS 6 2HB LYS 6 4.262 -1.853 9.996
43 1HG LYS 6 1HG LYS 6 3.072 -4.610 9.872
44 2HG LYS 6 2HG LYS 6 4.807 -4.298 9.918
45 1HD LYS 6 1HD LYS 6 4.707 -4.161 12.137
46 2HD LYS 6 2HD LYS 6 3.626 -2.776 11.991
47 1HE LYS 6 1HE LYS 6 2.024 -4.002 12.921
48 2HE LYS 6 2HE LYS 6 2.041 -5.032 11.491
49 1HZ LYS 6 1HZ LYS 6 3.390 -5.439 14.079
50 2HZ LYS 6 2HZ LYS 6 3.981 -6.191 12.684
51 3HZ LYS 6 3HZ LYS 6 2.405 -6.506 13.210
52 H HIS 7 H HIS 7 1.774 0.225 8.755
53 HA HIS 7 HA HIS 7 1.305 1.493 11.310
54 1HB HIS 7 1HB HIS 7 3.554 2.482 9.543
55 2HB HIS 7 2HB HIS 7 3.034 3.175 11.077
56 HD1 HIS 7 HD1 HIS 7 3.349 1.478 13.207
57 HD2 HIS 7 HD2 HIS 7 5.552 0.658 9.779
58 HE1 HIS 7 HE1 HIS 7 5.192 -0.065 13.945
59 HE2 HIS 7 HE2 HIS 7 6.435 -0.645 11.831
60 H ASP 8 H ASP 8 1.079 3.940 10.850
61 HA ASP 8 HA ASP 8 -1.038 4.089 8.907
62 1HB ASP 8 1HB ASP 8 -1.364 6.397 9.835
63 2HB ASP 8 2HB ASP 8 -1.423 5.127 11.053
64 H PHE 9 H PHE 9 -1.106 5.416 7.055
65 HA PHE 9 HA PHE 9 1.385 6.806 6.424
66 1HB PHE 9 1HB PHE 9 2.043 5.305 4.914
67 2HB PHE 9 2HB PHE 9 0.626 4.330 5.236
68 HD1 PHE 9 HD1 PHE 9 1.537 7.388 3.272
69 HD2 PHE 9 HD2 PHE 9 -0.599 3.727 3.449
70 HE1 PHE 9 HE1 PHE 9 0.832 7.688 0.932
71 HE2 PHE 9 HE2 PHE 9 -1.323 4.024 1.127
72 HZ PHE 9 HZ PHE 9 -0.596 6.013 -0.143
73 H SER 10 H SER 10 1.159 8.692 5.510
74 HA SER 10 HA SER 10 -1.333 9.358 4.080
75 1HB SER 10 1HB SER 10 -0.402 10.511 6.496
76 2HB SER 10 2HB SER 10 -0.029 11.684 5.234
77 HG SER 10 HG SER 10 -2.452 10.934 6.267
78 H ALA 11 H ALA 11 -1.097 9.960 2.125
79 HA ALA 11 HA ALA 11 1.200 9.708 0.642
80 1HB ALA 11 1HB ALA 11 -0.211 11.392 -0.884
81 2HB ALA 11 2HB ALA 11 -1.464 10.877 0.246
82 3HB ALA 11 3HB ALA 11 -0.583 9.678 -0.700
83 H THR 12 H THR 12 2.776 10.917 -0.042
84 HA THR 12 HA THR 12 2.960 13.662 0.969
85 HB THR 12 HB THR 12 4.952 11.439 0.694
86 HG1 THR 12 HG1 THR 12 5.326 11.948 2.727
87 1HG2 THR 12 1HG2 THR 12 6.868 12.773 0.665
88 2HG2 THR 12 2HG2 THR 12 5.952 14.267 0.858
89 3HG2 THR 12 3HG2 THR 12 5.884 13.379 -0.665
90 H ALA 13 H ALA 13 1.976 12.240 -1.641
91 HA ALA 13 HA ALA 13 2.670 14.492 -3.330
92 1HB ALA 13 1HB ALA 13 3.294 11.643 -4.115
93 2HB ALA 13 2HB ALA 13 4.473 12.914 -3.790
94 3HB ALA 13 3HB ALA 13 3.395 13.044 -5.181
95 H ASP 14 H ASP 14 1.405 14.451 -5.314
96 HA ASP 14 HA ASP 14 -1.308 14.079 -4.753
97 1HB ASP 14 1HB ASP 14 0.286 15.088 -6.979
98 2HB ASP 14 2HB ASP 14 -1.224 14.345 -7.498
99 H ASP 15 H ASP 15 0.939 11.991 -6.369
100 HA ASP 15 HA ASP 15 -1.190 10.332 -7.428
101 1HB ASP 15 1HB ASP 15 0.736 9.048 -8.411
102 2HB ASP 15 2HB ASP 15 0.580 10.724 -8.929
103 H GLU 16 H GLU 16 -0.383 10.470 -4.457
104 HA GLU 16 HA GLU 16 -0.049 7.575 -3.955
105 1HB GLU 16 1HB GLU 16 0.747 9.892 -2.197
106 2HB GLU 16 2HB GLU 16 0.959 8.190 -1.819
107 1HG GLU 16 1HG GLU 16 2.538 7.947 -3.594
108 2HG GLU 16 2HG GLU 16 2.259 9.592 -4.140
109 H LEU 17 H LEU 17 -1.631 6.595 -2.814
110 HA LEU 17 HA LEU 17 -3.952 8.093 -1.995
111 1HB LEU 17 1HB LEU 17 -4.625 5.732 -1.147
112 2HB LEU 17 2HB LEU 17 -4.584 6.072 -2.856
113 HG LEU 17 HG LEU 17 -2.236 5.062 -2.816
114 1HD1 LEU 17 1HD1 LEU 17 -1.880 3.394 -1.039
115 2HD1 LEU 17 2HD1 LEU 17 -3.260 4.079 -0.176
116 3HD1 LEU 17 3HD1 LEU 17 -1.838 5.059 -0.482
117 1HD2 LEU 17 1HD2 LEU 17 -3.066 2.975 -3.346
118 2HD2 LEU 17 2HD2 LEU 17 -4.449 4.030 -3.625
119 3HD2 LEU 17 3HD2 LEU 17 -4.354 3.071 -2.148
120 H SER 18 H SER 18 -4.406 6.116 0.362
121 HA SER 18 HA SER 18 -2.443 6.974 2.312
122 1HB SER 18 1HB SER 18 -5.293 7.940 2.260
123 2HB SER 18 2HB SER 18 -4.449 7.729 3.795
124 HG SER 18 HG SER 18 -4.345 9.820 2.296
125 H PHE 19 H PHE 19 -2.692 5.766 4.355
126 HA PHE 19 HA PHE 19 -4.665 3.667 4.509
127 1HB PHE 19 1HB PHE 19 -2.033 3.220 3.328
128 2HB PHE 19 2HB PHE 19 -2.365 2.127 4.656
129 HD1 PHE 19 HD1 PHE 19 -4.720 0.956 4.517
130 HD2 PHE 19 HD2 PHE 19 -2.623 2.641 1.224
131 HE1 PHE 19 HE1 PHE 19 -5.968 -0.504 2.980
132 HE2 PHE 19 HE2 PHE 19 -3.868 1.195 -0.322
133 HZ PHE 19 HZ PHE 19 -5.547 -0.381 0.557
134 H ARG 20 H ARG 20 -4.505 2.392 6.448
135 HA ARG 20 HA ARG 20 -2.868 3.651 8.551
136 1HB ARG 20 1HB ARG 20 -5.314 4.265 8.620
137 2HB ARG 20 2HB ARG 20 -5.665 2.570 8.925
138 1HG ARG 20 1HG ARG 20 -4.320 2.681 10.981
139 2HG ARG 20 2HG ARG 20 -4.033 4.393 10.679
140 1HD ARG 20 1HD ARG 20 -6.175 3.217 12.077
141 2HD ARG 20 2HD ARG 20 -5.939 4.915 11.693
142 HE ARG 20 HE ARG 20 -7.382 4.677 9.843
143 1HH1 ARG 20 1HH1 ARG 20 -7.106 1.735 11.712
144 2HH1 ARG 20 2HH1 ARG 20 -8.540 1.033 11.046
145 1HH2 ARG 20 1HH2 ARG 20 -9.278 3.748 8.977
146 2HH2 ARG 20 2HH2 ARG 20 -9.770 2.170 9.496
147 H LYS 21 H LYS 21 -2.341 2.289 10.372
148 HA LYS 21 HA LYS 21 -1.357 -0.235 9.712
149 1HB LYS 21 1HB LYS 21 -1.006 -0.554 12.114
150 2HB LYS 21 2HB LYS 21 -0.499 1.042 11.584
151 1HG LYS 21 1HG LYS 21 -2.661 1.942 12.422
152 2HG LYS 21 2HG LYS 21 -3.009 0.344 13.085
153 1HD LYS 21 1HD LYS 21 -1.770 0.769 14.884
154 2HD LYS 21 2HD LYS 21 -0.376 1.166 13.878
155 1HE LYS 21 1HE LYS 21 -2.616 3.064 14.572
156 2HE LYS 21 2HE LYS 21 -1.044 3.016 15.371
157 1HZ LYS 21 1HZ LYS 21 -1.427 4.693 13.482
158 2HZ LYS 21 2HZ LYS 21 -1.219 3.369 12.450
159 3HZ LYS 21 3HZ LYS 21 0.023 3.821 13.504
160 H GLY 22 H GLY 22 -2.140 -2.228 9.705
161 1HA GLY 22 1HA GLY 22 -3.516 -3.999 10.429
162 2HA GLY 22 2HA GLY 22 -4.665 -2.825 11.048
163 H GLN 23 H GLN 23 -4.278 -1.436 8.243
164 HA GLN 23 HA GLN 23 -6.579 -2.723 7.118
165 1HB GLN 23 1HB GLN 23 -5.300 -0.189 6.852
166 2HB GLN 23 2HB GLN 23 -5.477 -0.894 5.253
167 1HG GLN 23 1HG GLN 23 -7.901 -1.267 6.709
168 2HG GLN 23 2HG GLN 23 -7.415 0.426 6.803
169 1HE2 GLN 23 1HE2 GLN 23 -7.459 1.683 4.991
170 2HE2 GLN 23 2HE2 GLN 23 -8.129 1.161 3.486
171 H ILE 24 H ILE 24 -6.778 -3.394 4.850
172 HA ILE 24 HA ILE 24 -4.323 -4.746 3.960
173 HB ILE 24 HB ILE 24 -7.191 -5.420 3.301
174 1HG1 ILE 24 1HG1 ILE 24 -5.780 -7.450 4.759
175 2HG1 ILE 24 2HG1 ILE 24 -5.655 -5.926 5.632
176 1HG2 ILE 24 1HG2 ILE 24 -5.660 -6.076 1.520
177 2HG2 ILE 24 2HG2 ILE 24 -6.274 -7.491 2.374
178 3HG2 ILE 24 3HG2 ILE 24 -4.640 -6.911 2.693
179 1HD1 ILE 24 1HD1 ILE 24 -7.674 -7.634 5.942
180 2HD1 ILE 24 2HD1 ILE 24 -8.332 -6.651 4.634
181 3HD1 ILE 24 3HD1 ILE 24 -7.845 -5.891 6.149
182 H LEU 25 H LEU 25 -3.298 -3.639 2.461
183 HA LEU 25 HA LEU 25 -4.760 -2.086 0.461
184 1HB LEU 25 1HB LEU 25 -2.241 -1.534 -0.159
185 2HB LEU 25 2HB LEU 25 -3.063 -0.733 1.152
186 HG LEU 25 HG LEU 25 -1.487 -3.176 1.764
187 1HD1 LEU 25 1HD1 LEU 25 0.554 -2.157 1.679
188 2HD1 LEU 25 2HD1 LEU 25 -0.122 -0.536 1.845
189 3HD1 LEU 25 3HD1 LEU 25 -0.220 -1.378 0.299
190 1HD2 LEU 25 1HD2 LEU 25 -1.906 -0.604 3.283
191 2HD2 LEU 25 2HD2 LEU 25 -1.221 -2.110 3.894
192 3HD2 LEU 25 3HD2 LEU 25 -2.925 -2.033 3.451
193 H LYS 26 H LYS 26 -4.769 -2.582 -1.719
194 HA LYS 26 HA LYS 26 -3.690 -5.189 -2.457
195 1HB LYS 26 1HB LYS 26 -6.103 -4.006 -2.974
196 2HB LYS 26 2HB LYS 26 -5.233 -3.690 -4.467
197 1HG LYS 26 1HG LYS 26 -5.361 -6.439 -3.286
198 2HG LYS 26 2HG LYS 26 -6.644 -5.810 -4.322
199 1HD LYS 26 1HD LYS 26 -3.914 -5.460 -5.359
200 2HD LYS 26 2HD LYS 26 -4.457 -7.134 -5.225
201 1HE LYS 26 1HE LYS 26 -6.570 -6.364 -6.429
202 2HE LYS 26 2HE LYS 26 -5.680 -4.889 -6.806
203 1HZ LYS 26 1HZ LYS 26 -5.450 -6.392 -8.620
204 2HZ LYS 26 2HZ LYS 26 -4.972 -7.658 -7.606
205 3HZ LYS 26 3HZ LYS 26 -3.955 -6.325 -7.830
206 H ILE 27 H ILE 27 -1.853 -5.367 -3.559
207 HA ILE 27 HA ILE 27 -0.639 -3.023 -4.783
208 HB ILE 27 HB ILE 27 0.417 -5.845 -4.529
209 1HG1 ILE 27 1HG1 ILE 27 1.950 -4.507 -2.841
210 2HG1 ILE 27 2HG1 ILE 27 0.557 -3.432 -2.770
211 1HG2 ILE 27 1HG2 ILE 27 1.414 -3.473 -5.898
212 2HG2 ILE 27 2HG2 ILE 27 1.902 -5.160 -6.050
213 3HG2 ILE 27 3HG2 ILE 27 2.570 -4.163 -4.759
214 1HD1 ILE 27 1HD1 ILE 27 -0.246 -4.773 -1.207
215 2HD1 ILE 27 2HD1 ILE 27 0.974 -6.004 -1.535
216 3HD1 ILE 27 3HD1 ILE 27 -0.516 -5.967 -2.474
217 H LEU 28 H LEU 28 -0.509 -2.638 -6.911
218 HA LEU 28 HA LEU 28 -1.705 -4.618 -8.729
219 1HB LEU 28 1HB LEU 28 -1.227 -2.022 -9.927
220 2HB LEU 28 2HB LEU 28 -2.702 -2.960 -9.843
221 HG LEU 28 HG LEU 28 -1.716 -1.233 -7.579
222 1HD1 LEU 28 1HD1 LEU 28 -3.051 0.518 -8.317
223 2HD1 LEU 28 2HD1 LEU 28 -3.900 -0.487 -9.491
224 3HD1 LEU 28 3HD1 LEU 28 -2.221 -0.024 -9.774
225 1HD2 LEU 28 1HD2 LEU 28 -4.351 -1.392 -7.276
226 2HD2 LEU 28 2HD2 LEU 28 -3.250 -2.568 -6.575
227 3HD2 LEU 28 3HD2 LEU 28 -4.086 -2.931 -8.085
228 H ASN 29 H ASN 29 1.113 -2.599 -8.194
229 HA ASN 29 HA ASN 29 2.641 -4.287 -9.987
230 1HB ASN 29 1HB ASN 29 3.721 -2.274 -11.046
231 2HB ASN 29 2HB ASN 29 2.066 -2.610 -11.545
232 1HD2 ASN 29 1HD2 ASN 29 0.371 -1.388 -10.426
233 2HD2 ASN 29 2HD2 ASN 29 0.697 0.243 -9.970
234 H MET 30 H MET 30 2.573 -1.661 -7.743
235 HA MET 30 HA MET 30 3.816 -1.192 -5.902
236 1HB MET 30 1HB MET 30 4.229 -3.323 -5.176
237 2HB MET 30 2HB MET 30 4.984 -3.824 -6.669
238 1HG MET 30 1HG MET 30 6.652 -1.881 -5.437
239 2HG MET 30 2HG MET 30 6.177 -3.067 -4.234
240 1HE MET 30 1HE MET 30 6.798 -6.237 -6.554
241 2HE MET 30 2HE MET 30 5.583 -5.411 -5.579
242 3HE MET 30 3HE MET 30 7.021 -6.084 -4.811
243 H GLU 31 H GLU 31 4.361 -0.662 -8.897
244 HA GLU 31 HA GLU 31 5.477 0.916 -9.977
245 1HB GLU 31 1HB GLU 31 5.768 1.961 -7.669
246 2HB GLU 31 2HB GLU 31 7.368 1.235 -7.649
247 1HG GLU 31 1HG GLU 31 8.177 2.651 -9.269
248 2HG GLU 31 2HG GLU 31 6.592 2.896 -9.997
249 H ASP 32 H ASP 32 8.468 0.980 -9.094
250 HA ASP 32 HA ASP 32 9.324 -1.137 -10.857
251 1HB ASP 32 1HB ASP 32 10.483 1.596 -10.434
252 2HB ASP 32 2HB ASP 32 11.512 0.285 -11.004
253 H ASP 33 H ASP 33 8.867 -1.195 -7.852
254 HA ASP 33 HA ASP 33 9.709 -2.515 -6.244
255 1HB ASP 33 1HB ASP 33 10.576 -3.873 -8.231
256 2HB ASP 33 2HB ASP 33 12.134 -3.104 -7.938
257 H SER 34 H SER 34 9.973 -0.255 -5.392
258 HA SER 34 HA SER 34 12.667 0.100 -4.406
259 1HB SER 34 1HB SER 34 11.666 1.695 -6.621
260 2HB SER 34 2HB SER 34 12.123 2.705 -5.257
261 HG SER 34 HG SER 34 14.051 2.442 -6.056
262 H ASN 35 H ASN 35 11.871 3.003 -3.856
263 HA ASN 35 HA ASN 35 10.904 2.387 -1.239
264 1HB ASN 35 1HB ASN 35 11.346 5.144 -2.362
265 2HB ASN 35 2HB ASN 35 11.289 4.671 -0.667
266 1HD2 ASN 35 1HD2 ASN 35 13.195 4.578 0.250
267 2HD2 ASN 35 2HD2 ASN 35 14.683 4.154 -0.517
268 H TRP 36 H TRP 36 9.332 3.661 -4.108
269 HA TRP 36 HA TRP 36 6.933 4.047 -2.450
270 1HB TRP 36 1HB TRP 36 7.649 5.215 -5.152
271 2HB TRP 36 2HB TRP 36 6.073 5.391 -4.389
272 HD1 TRP 36 HD1 TRP 36 9.406 7.003 -4.553
273 HE1 TRP 36 HE1 TRP 36 9.589 8.875 -2.797
274 HE3 TRP 36 HE3 TRP 36 5.242 5.930 -1.780
275 HZ2 TRP 36 HZ2 TRP 36 8.159 9.779 -0.537
276 HZ3 TRP 36 HZ3 TRP 36 4.724 7.347 0.163
277 HH2 TRP 36 HH2 TRP 36 6.153 9.231 0.770
278 H TYR 37 H TYR 37 5.189 2.702 -2.837
279 HA TYR 37 HA TYR 37 5.368 0.882 -5.156
280 1HB TYR 37 1HB TYR 37 4.301 0.432 -2.368
281 2HB TYR 37 2HB TYR 37 3.909 -0.639 -3.702
282 HD1 TYR 37 HD1 TYR 37 4.928 -2.181 -1.802
283 HD2 TYR 37 HD2 TYR 37 7.201 0.485 -4.212
284 HE1 TYR 37 HE1 TYR 37 6.954 -3.493 -1.336
285 HE2 TYR 37 HE2 TYR 37 9.228 -0.824 -3.754
286 HH TYR 37 HH TYR 37 9.120 -3.897 -2.157
287 H ARG 38 H ARG 38 3.258 0.170 -6.045
288 HA ARG 38 HA ARG 38 1.259 2.285 -5.773
289 1HB ARG 38 1HB ARG 38 2.489 1.820 -8.022
290 2HB ARG 38 2HB ARG 38 1.422 0.428 -8.137
291 1HG ARG 38 1HG ARG 38 -0.011 1.789 -9.150
292 2HG ARG 38 2HG ARG 38 -0.305 2.490 -7.557
293 1HD ARG 38 1HD ARG 38 0.515 4.423 -8.258
294 2HD ARG 38 2HD ARG 38 2.060 3.647 -8.590
295 HE ARG 38 HE ARG 38 1.067 3.092 -10.825
296 1HH1 ARG 38 1HH1 ARG 38 0.037 5.888 -9.000
297 2HH1 ARG 38 2HH1 ARG 38 -0.434 6.781 -10.404
298 1HH2 ARG 38 1HH2 ARG 38 0.454 4.274 -12.669
299 2HH2 ARG 38 2HH2 ARG 38 -0.198 5.869 -12.484
300 H ALA 39 H ALA 39 -0.604 1.812 -4.852
301 HA ALA 39 HA ALA 39 -1.720 -0.870 -5.188
302 1HB ALA 39 1HB ALA 39 -1.925 -1.388 -2.957
303 2HB ALA 39 2HB ALA 39 -1.808 0.293 -2.444
304 3HB ALA 39 3HB ALA 39 -0.366 -0.569 -2.983
305 H GLU 40 H GLU 40 -3.946 -0.936 -3.984
306 HA GLU 40 HA GLU 40 -5.435 1.547 -4.562
307 1HB GLU 40 1HB GLU 40 -6.050 -1.310 -5.271
308 2HB GLU 40 2HB GLU 40 -7.345 -0.134 -5.089
309 1HG GLU 40 1HG GLU 40 -5.534 1.137 -6.740
310 2HG GLU 40 2HG GLU 40 -5.496 -0.536 -7.275
311 H LEU 41 H LEU 41 -7.237 1.982 -3.183
312 HA LEU 41 HA LEU 41 -7.839 0.093 -1.061
313 1HB LEU 41 1HB LEU 41 -7.279 1.429 0.729
314 2HB LEU 41 2HB LEU 41 -5.976 1.774 -0.385
315 HG LEU 41 HG LEU 41 -8.293 3.612 -0.508
316 1HD1 LEU 41 1HD1 LEU 41 -7.031 2.996 1.992
317 2HD1 LEU 41 2HD1 LEU 41 -8.334 4.133 1.643
318 3HD1 LEU 41 3HD1 LEU 41 -6.656 4.650 1.510
319 1HD2 LEU 41 1HD2 LEU 41 -5.307 4.018 -0.457
320 2HD2 LEU 41 2HD2 LEU 41 -6.521 5.252 -0.791
321 3HD2 LEU 41 3HD2 LEU 41 -6.305 3.904 -1.908
322 H ASP 42 H ASP 42 -9.932 0.023 -0.676
323 HA ASP 42 HA ASP 42 -12.157 0.348 -0.958
324 1HB ASP 42 1HB ASP 42 -11.179 2.517 0.438
325 2HB ASP 42 2HB ASP 42 -12.136 3.264 -0.838
326 H GLY 43 H GLY 43 -10.676 0.231 -3.389
327 1HA GLY 43 1HA GLY 43 -11.341 0.337 -5.615
328 2HA GLY 43 2HA GLY 43 -12.653 1.401 -5.145
329 H LYS 44 H LYS 44 -9.604 2.390 -3.996
330 HA LYS 44 HA LYS 44 -9.377 4.362 -6.184
331 1HB LYS 44 1HB LYS 44 -9.705 4.709 -3.373
332 2HB LYS 44 2HB LYS 44 -8.074 5.229 -3.778
333 1HG LYS 44 1HG LYS 44 -10.545 6.203 -5.193
334 2HG LYS 44 2HG LYS 44 -9.789 7.032 -3.830
335 1HD LYS 44 1HD LYS 44 -7.675 7.128 -5.156
336 2HD LYS 44 2HD LYS 44 -8.567 6.473 -6.531
337 1HE LYS 44 1HE LYS 44 -8.912 8.635 -7.040
338 2HE LYS 44 2HE LYS 44 -10.171 8.536 -5.809
339 1HZ LYS 44 1HZ LYS 44 -8.981 9.768 -4.364
340 2HZ LYS 44 2HZ LYS 44 -8.253 10.358 -5.772
341 3HZ LYS 44 3HZ LYS 44 -7.487 9.151 -4.867
342 H GLU 45 H GLU 45 -7.322 4.705 -7.047
343 HA GLU 45 HA GLU 45 -5.219 2.923 -6.024
344 1HB GLU 45 1HB GLU 45 -5.912 2.504 -8.373
345 2HB GLU 45 2HB GLU 45 -5.459 4.152 -8.783
346 1HG GLU 45 1HG GLU 45 -3.290 2.738 -7.502
347 2HG GLU 45 2HG GLU 45 -3.881 1.898 -8.932
348 H GLY 46 H GLY 46 -3.126 3.642 -5.812
349 1HA GLY 46 1HA GLY 46 -2.192 6.260 -6.215
350 2HA GLY 46 2HA GLY 46 -2.901 6.165 -4.610
351 H LEU 47 H LEU 47 -0.148 6.609 -5.447
352 HA LEU 47 HA LEU 47 1.480 4.355 -4.865
353 1HB LEU 47 1HB LEU 47 1.837 7.038 -5.652
354 2HB LEU 47 2HB LEU 47 2.727 6.835 -4.164
355 HG LEU 47 HG LEU 47 3.781 4.787 -5.278
356 1HD1 LEU 47 1HD1 LEU 47 2.639 4.344 -7.182
357 2HD1 LEU 47 2HD1 LEU 47 3.910 5.372 -7.839
358 3HD1 LEU 47 3HD1 LEU 47 2.306 6.039 -7.526
359 1HD2 LEU 47 1HD2 LEU 47 5.536 6.113 -6.162
360 2HD2 LEU 47 2HD2 LEU 47 4.855 7.010 -4.805
361 3HD2 LEU 47 3HD2 LEU 47 4.451 7.472 -6.458
362 H ILE 48 H ILE 48 2.665 3.905 -2.999
363 HA ILE 48 HA ILE 48 1.922 5.274 -0.513
364 HB ILE 48 HB ILE 48 0.722 3.629 0.337
365 1HG1 ILE 48 1HG1 ILE 48 2.900 2.710 1.174
366 2HG1 ILE 48 2HG1 ILE 48 1.600 1.536 1.030
367 1HG2 ILE 48 1HG2 ILE 48 -0.002 1.710 -0.925
368 2HG2 ILE 48 2HG2 ILE 48 1.302 1.958 -2.087
369 3HG2 ILE 48 3HG2 ILE 48 0.016 3.156 -1.935
370 1HD1 ILE 48 1HD1 ILE 48 2.620 0.394 -0.640
371 2HD1 ILE 48 2HD1 ILE 48 4.037 1.011 0.209
372 3HD1 ILE 48 3HD1 ILE 48 3.465 1.815 -1.252
373 HA PRO 49 HA PRO 49 6.218 4.931 0.181
374 1HB PRO 49 1HB PRO 49 6.455 5.271 2.882
375 2HB PRO 49 2HB PRO 49 5.971 6.587 1.806
376 1HG PRO 49 1HG PRO 49 4.279 4.835 3.538
377 2HG PRO 49 2HG PRO 49 4.134 6.572 3.220
378 1HD PRO 49 1HD PRO 49 2.596 4.642 2.001
379 2HD PRO 49 2HD PRO 49 2.930 6.236 1.299
380 H SER 50 H SER 50 7.323 3.122 -0.052
381 HA SER 50 HA SER 50 6.559 0.581 0.802
382 1HB SER 50 1HB SER 50 8.100 1.087 -1.095
383 2HB SER 50 2HB SER 50 9.373 1.380 0.088
384 HG SER 50 HG SER 50 8.164 -0.977 0.587
385 H ASN 51 H ASN 51 7.089 2.536 3.015
386 HA ASN 51 HA ASN 51 8.825 0.804 4.651
387 1HB ASN 51 1HB ASN 51 8.879 3.122 6.087
388 2HB ASN 51 2HB ASN 51 10.124 2.614 4.954
389 1HD2 ASN 51 1HD2 ASN 51 10.020 3.451 2.783
390 2HD2 ASN 51 2HD2 ASN 51 9.322 5.006 2.504
391 H TYR 52 H TYR 52 5.762 2.325 4.374
392 HA TYR 52 HA TYR 52 5.081 1.771 7.162
393 1HB TYR 52 1HB TYR 52 3.564 3.165 4.957
394 2HB TYR 52 2HB TYR 52 2.973 2.955 6.600
395 HD1 TYR 52 HD1 TYR 52 6.538 3.587 6.343
396 HD2 TYR 52 HD2 TYR 52 2.738 5.460 6.569
397 HE1 TYR 52 HE1 TYR 52 7.622 5.682 6.995
398 HE2 TYR 52 HE2 TYR 52 3.808 7.568 7.225
399 HH TYR 52 HH TYR 52 5.731 8.539 7.875
400 H ILE 53 H ILE 53 5.249 -0.166 4.577
401 HA ILE 53 HA ILE 53 2.847 -1.648 5.392
402 HB ILE 53 HB ILE 53 2.409 -2.328 3.110
403 1HG1 ILE 53 1HG1 ILE 53 3.950 -0.477 1.598
404 2HG1 ILE 53 2HG1 ILE 53 5.064 -1.346 2.649
405 1HG2 ILE 53 1HG2 ILE 53 1.120 -0.492 3.566
406 2HG2 ILE 53 2HG2 ILE 53 2.010 0.079 2.156
407 3HG2 ILE 53 3HG2 ILE 53 2.511 0.572 3.773
408 1HD1 ILE 53 1HD1 ILE 53 4.869 -3.230 1.473
409 2HD1 ILE 53 2HD1 ILE 53 4.187 -2.198 0.216
410 3HD1 ILE 53 3HD1 ILE 53 3.121 -3.068 1.319
411 H GLU 54 H GLU 54 2.920 -3.944 4.586
412 HA GLU 54 HA GLU 54 5.577 -5.080 4.260
413 1HB GLU 54 1HB GLU 54 4.482 -4.847 6.829
414 2HB GLU 54 2HB GLU 54 4.212 -6.523 6.376
415 1HG GLU 54 1HG GLU 54 6.290 -6.943 7.002
416 2HG GLU 54 2HG GLU 54 6.835 -6.002 5.615
417 H MET 55 H MET 55 5.515 -6.818 2.994
418 HA MET 55 HA MET 55 3.341 -7.590 1.534
419 1HB MET 55 1HB MET 55 5.985 -8.748 2.107
420 2HB MET 55 2HB MET 55 4.785 -9.901 1.538
421 1HG MET 55 1HG MET 55 4.613 -8.923 -0.520
422 2HG MET 55 2HG MET 55 5.110 -7.338 0.069
423 1HE MET 55 1HE MET 55 7.938 -10.859 -0.852
424 2HE MET 55 2HE MET 55 6.232 -10.808 -1.297
425 3HE MET 55 3HE MET 55 6.698 -10.931 0.400
426 H LYS 56 H LYS 56 1.570 -8.753 1.842
427 HA LYS 56 HA LYS 56 1.435 -10.478 4.219
428 1HB LYS 56 1HB LYS 56 0.072 -8.475 4.492
429 2HB LYS 56 2HB LYS 56 -0.762 -8.809 2.984
430 1HG LYS 56 1HG LYS 56 -2.092 -9.403 4.953
431 2HG LYS 56 2HG LYS 56 -1.755 -10.798 3.928
432 1HD LYS 56 1HD LYS 56 -0.330 -11.747 5.459
433 2HD LYS 56 2HD LYS 56 0.101 -10.195 6.180
434 1HE LYS 56 1HE LYS 56 -2.530 -11.638 6.498
435 2HE LYS 56 2HE LYS 56 -1.254 -11.530 7.709
436 1HZ LYS 56 1HZ LYS 56 -2.612 -9.843 8.374
437 2HZ LYS 56 2HZ LYS 56 -3.143 -9.479 6.811
438 3HZ LYS 56 3HZ LYS 56 -1.610 -8.980 7.319
439 H ASN 57 H ASN 57 -1.235 -10.327 2.008
440 HA ASN 57 HA ASN 57 -2.068 -11.765 0.446
441 1HB ASN 57 1HB ASN 57 0.567 -13.246 0.549
442 2HB ASN 57 2HB ASN 57 -0.679 -13.391 -0.679
443 1HD2 ASN 57 1HD2 ASN 57 -0.560 -12.155 -2.413
444 2HD2 ASN 57 2HD2 ASN 57 0.537 -10.837 -2.621
445 H HIS 58 H HIS 58 -0.058 -13.506 2.850
446 HA HIS 58 HA HIS 58 -2.077 -14.687 4.247
447 1HB HIS 58 1HB HIS 58 -2.319 -15.791 1.823
448 2HB HIS 58 2HB HIS 58 -1.067 -16.850 2.460
449 HD1 HIS 58 HD1 HIS 58 -3.873 -15.468 4.555
450 HD2 HIS 58 HD2 HIS 58 -2.685 -19.059 2.835
451 HE1 HIS 58 HE1 HIS 58 -5.407 -17.212 5.516
452 HE2 HIS 58 HE2 HIS 58 -4.617 -19.389 4.522
453 H ASP 59 H ASP 59 1.128 -14.314 3.357
454 HA ASP 59 HA ASP 59 3.097 -14.737 4.365
455 1HB ASP 59 1HB ASP 59 1.617 -14.081 6.385
456 2HB ASP 59 2HB ASP 59 1.630 -15.801 6.762
Start of MODEL 8
1 1H MET 1 1H MET 1 1.904 -10.198 -4.254
2 2H MET 1 2H MET 1 1.089 -10.295 -2.751
3 3H MET 1 3H MET 1 2.067 -8.934 -3.108
4 HA MET 1 HA MET 1 0.611 -8.132 -4.651
5 1HB MET 1 1HB MET 1 0.167 -10.240 -5.815
6 2HB MET 1 2HB MET 1 -0.721 -10.846 -4.426
7 1HG MET 1 1HG MET 1 -2.458 -10.259 -5.738
8 2HG MET 1 2HG MET 1 -2.220 -8.720 -4.919
9 1HE MET 1 1HE MET 1 -3.618 -7.529 -7.583
10 2HE MET 1 2HE MET 1 -3.836 -9.250 -7.266
11 3HE MET 1 3HE MET 1 -3.259 -8.710 -8.843
12 H GLU 2 H GLU 2 0.195 -9.458 -1.599
13 HA GLU 2 HA GLU 2 -1.968 -7.524 -1.095
14 1HB GLU 2 1HB GLU 2 -1.572 -10.278 -0.054
15 2HB GLU 2 2HB GLU 2 -2.238 -9.085 1.045
16 1HG GLU 2 1HG GLU 2 -4.163 -8.825 -0.200
17 2HG GLU 2 2HG GLU 2 -3.420 -9.453 -1.669
18 H ALA 3 H ALA 3 -1.747 -6.245 0.840
19 HA ALA 3 HA ALA 3 0.630 -6.675 2.453
20 1HB ALA 3 1HB ALA 3 1.825 -4.891 1.803
21 2HB ALA 3 2HB ALA 3 0.397 -3.872 1.621
22 3HB ALA 3 3HB ALA 3 0.859 -4.982 0.331
23 H ILE 4 H ILE 4 0.756 -5.029 4.220
24 HA ILE 4 HA ILE 4 -1.867 -4.010 5.040
25 HB ILE 4 HB ILE 4 -1.486 -4.858 7.354
26 1HG1 ILE 4 1HG1 ILE 4 0.061 -7.035 7.229
27 2HG1 ILE 4 2HG1 ILE 4 0.883 -6.073 6.005
28 1HG2 ILE 4 1HG2 ILE 4 -2.649 -6.770 6.943
29 2HG2 ILE 4 2HG2 ILE 4 -1.582 -7.274 5.634
30 3HG2 ILE 4 3HG2 ILE 4 -2.785 -6.014 5.356
31 1HD1 ILE 4 1HD1 ILE 4 1.494 -4.437 7.546
32 2HD1 ILE 4 2HD1 ILE 4 1.731 -5.953 8.406
33 3HD1 ILE 4 3HD1 ILE 4 0.302 -4.971 8.728
34 H ALA 5 H ALA 5 -1.837 -2.195 6.267
35 HA ALA 5 HA ALA 5 0.537 -0.622 6.270
36 1HB ALA 5 1HB ALA 5 -2.274 -0.270 7.147
37 2HB ALA 5 2HB ALA 5 -1.321 0.666 6.004
38 3HB ALA 5 3HB ALA 5 -1.054 0.860 7.735
39 H LYS 6 H LYS 6 2.057 -0.467 7.729
40 HA LYS 6 HA LYS 6 1.726 -1.780 10.334
41 1HB LYS 6 1HB LYS 6 3.933 -1.373 8.586
42 2HB LYS 6 2HB LYS 6 4.273 -0.478 10.060
43 1HG LYS 6 1HG LYS 6 3.415 -3.352 10.092
44 2HG LYS 6 2HG LYS 6 5.103 -2.862 9.949
45 1HD LYS 6 1HD LYS 6 4.555 -1.415 12.052
46 2HD LYS 6 2HD LYS 6 3.224 -2.556 12.246
47 1HE LYS 6 1HE LYS 6 4.612 -4.319 12.681
48 2HE LYS 6 2HE LYS 6 5.939 -3.651 11.730
49 1HZ LYS 6 1HZ LYS 6 5.753 -1.855 13.698
50 2HZ LYS 6 2HZ LYS 6 6.782 -3.197 13.742
51 3HZ LYS 6 3HZ LYS 6 5.284 -3.257 14.524
52 H HIS 7 H HIS 7 1.520 1.269 8.910
53 HA HIS 7 HA HIS 7 0.954 2.512 11.461
54 1HB HIS 7 1HB HIS 7 3.028 3.763 9.653
55 2HB HIS 7 2HB HIS 7 2.502 4.340 11.231
56 HD1 HIS 7 HD1 HIS 7 2.984 2.342 13.199
57 HD2 HIS 7 HD2 HIS 7 5.386 2.487 9.808
58 HE1 HIS 7 HE1 HIS 7 5.093 1.113 13.813
59 HE2 HIS 7 HE2 HIS 7 6.523 1.195 11.740
60 H ASP 8 H ASP 8 0.479 4.911 11.024
61 HA ASP 8 HA ASP 8 -1.613 4.932 9.031
62 1HB ASP 8 1HB ASP 8 -2.150 7.181 10.009
63 2HB ASP 8 2HB ASP 8 -2.128 5.886 11.200
64 H PHE 9 H PHE 9 -0.390 4.880 7.050
65 HA PHE 9 HA PHE 9 1.573 6.955 6.660
66 1HB PHE 9 1HB PHE 9 2.206 5.229 5.307
67 2HB PHE 9 2HB PHE 9 0.551 4.700 5.042
68 HD1 PHE 9 HD1 PHE 9 2.438 7.855 4.336
69 HD2 PHE 9 HD2 PHE 9 -0.037 4.740 2.843
70 HE1 PHE 9 HE1 PHE 9 2.462 8.896 2.108
71 HE2 PHE 9 HE2 PHE 9 -0.003 5.776 0.622
72 HZ PHE 9 HZ PHE 9 1.252 7.842 0.253
73 H SER 10 H SER 10 1.237 8.866 5.921
74 HA SER 10 HA SER 10 -1.219 9.486 4.417
75 1HB SER 10 1HB SER 10 -0.904 10.528 6.797
76 2HB SER 10 2HB SER 10 0.348 11.508 6.033
77 HG SER 10 HG SER 10 -1.393 12.042 4.461
78 H ALA 11 H ALA 11 -0.960 10.202 2.493
79 HA ALA 11 HA ALA 11 1.345 9.910 1.043
80 1HB ALA 11 1HB ALA 11 0.238 11.145 -0.697
81 2HB ALA 11 2HB ALA 11 -0.944 11.754 0.461
82 3HB ALA 11 3HB ALA 11 -0.873 10.034 0.094
83 H THR 12 H THR 12 3.010 11.039 0.488
84 HA THR 12 HA THR 12 3.253 13.747 1.568
85 HB THR 12 HB THR 12 5.191 11.464 1.303
86 HG1 THR 12 HG1 THR 12 5.024 11.739 3.357
87 1HG2 THR 12 1HG2 THR 12 6.903 13.469 1.947
88 2HG2 THR 12 2HG2 THR 12 5.939 14.248 0.696
89 3HG2 THR 12 3HG2 THR 12 6.771 12.733 0.350
90 H ALA 13 H ALA 13 2.371 12.319 -1.081
91 HA ALA 13 HA ALA 13 3.071 14.591 -2.729
92 1HB ALA 13 1HB ALA 13 4.775 13.453 -3.676
93 2HB ALA 13 2HB ALA 13 3.487 12.603 -4.529
94 3HB ALA 13 3HB ALA 13 4.198 11.898 -3.077
95 H ASP 14 H ASP 14 1.833 14.561 -4.716
96 HA ASP 14 HA ASP 14 -0.878 14.127 -4.187
97 1HB ASP 14 1HB ASP 14 -1.172 14.692 -6.656
98 2HB ASP 14 2HB ASP 14 -0.377 15.889 -5.640
99 H ASP 15 H ASP 15 1.412 12.126 -5.858
100 HA ASP 15 HA ASP 15 -0.674 10.477 -6.990
101 1HB ASP 15 1HB ASP 15 2.213 10.835 -7.378
102 2HB ASP 15 2HB ASP 15 1.619 9.193 -7.615
103 H GLU 16 H GLU 16 0.048 10.552 -4.015
104 HA GLU 16 HA GLU 16 0.291 7.634 -3.541
105 1HB GLU 16 1HB GLU 16 1.451 9.998 -2.126
106 2HB GLU 16 2HB GLU 16 0.995 8.590 -1.182
107 1HG GLU 16 1HG GLU 16 2.829 7.511 -1.778
108 2HG GLU 16 2HG GLU 16 2.485 7.788 -3.474
109 H LEU 17 H LEU 17 -1.379 6.709 -2.403
110 HA LEU 17 HA LEU 17 -3.643 8.311 -1.624
111 1HB LEU 17 1HB LEU 17 -3.573 5.933 -2.621
112 2HB LEU 17 2HB LEU 17 -3.265 5.407 -0.980
113 HG LEU 17 HG LEU 17 -5.498 7.084 -0.782
114 1HD1 LEU 17 1HD1 LEU 17 -7.089 6.215 -2.353
115 2HD1 LEU 17 2HD1 LEU 17 -5.863 5.178 -3.083
116 3HD1 LEU 17 3HD1 LEU 17 -5.739 6.933 -3.232
117 1HD2 LEU 17 1HD2 LEU 17 -5.978 4.185 -1.008
118 2HD2 LEU 17 2HD2 LEU 17 -6.395 5.313 0.282
119 3HD2 LEU 17 3HD2 LEU 17 -4.754 4.678 0.161
120 H SER 18 H SER 18 -4.155 6.300 0.700
121 HA SER 18 HA SER 18 -2.241 6.974 2.723
122 1HB SER 18 1HB SER 18 -4.280 7.892 4.122
123 2HB SER 18 2HB SER 18 -3.341 8.973 3.091
124 HG SER 18 HG SER 18 -4.986 9.147 1.749
125 H PHE 19 H PHE 19 -2.717 5.781 4.703
126 HA PHE 19 HA PHE 19 -4.997 4.070 4.866
127 1HB PHE 19 1HB PHE 19 -3.757 1.917 4.726
128 2HB PHE 19 2HB PHE 19 -3.878 2.776 3.194
129 HD1 PHE 19 HD1 PHE 19 -1.523 2.775 6.120
130 HD2 PHE 19 HD2 PHE 19 -2.038 2.649 1.904
131 HE1 PHE 19 HE1 PHE 19 0.915 2.628 5.828
132 HE2 PHE 19 HE2 PHE 19 0.382 2.487 1.626
133 HZ PHE 19 HZ PHE 19 1.866 2.480 3.569
134 H ARG 20 H ARG 20 -4.776 2.451 6.718
135 HA ARG 20 HA ARG 20 -2.955 3.508 8.776
136 1HB ARG 20 1HB ARG 20 -4.732 3.373 10.432
137 2HB ARG 20 2HB ARG 20 -5.201 4.438 9.113
138 1HG ARG 20 1HG ARG 20 -6.618 2.736 8.181
139 2HG ARG 20 2HG ARG 20 -6.064 1.567 9.383
140 1HD ARG 20 1HD ARG 20 -7.019 2.909 11.163
141 2HD ARG 20 2HD ARG 20 -7.518 4.133 10.000
142 HE ARG 20 HE ARG 20 -8.643 1.416 10.198
143 1HH1 ARG 20 1HH1 ARG 20 -8.910 4.753 9.164
144 2HH1 ARG 20 2HH1 ARG 20 -10.573 4.602 8.711
145 1HH2 ARG 20 1HH2 ARG 20 -10.841 1.244 9.605
146 2HH2 ARG 20 2HH2 ARG 20 -11.664 2.628 8.968
147 H LYS 21 H LYS 21 -2.574 2.114 10.565
148 HA LYS 21 HA LYS 21 -1.722 -0.419 9.869
149 1HB LYS 21 1HB LYS 21 -0.956 0.899 11.831
150 2HB LYS 21 2HB LYS 21 -2.442 0.455 12.658
151 1HG LYS 21 1HG LYS 21 -0.888 -1.794 11.564
152 2HG LYS 21 2HG LYS 21 -0.121 -0.899 12.878
153 1HD LYS 21 1HD LYS 21 -2.885 -1.355 13.494
154 2HD LYS 21 2HD LYS 21 -2.114 -2.881 13.063
155 1HE LYS 21 1HE LYS 21 -1.087 -2.967 15.033
156 2HE LYS 21 2HE LYS 21 -0.377 -1.374 14.774
157 1HZ LYS 21 1HZ LYS 21 -2.763 -2.120 16.276
158 2HZ LYS 21 2HZ LYS 21 -2.829 -0.658 15.428
159 3HZ LYS 21 3HZ LYS 21 -1.622 -0.909 16.585
160 H GLY 22 H GLY 22 -2.538 -2.397 9.794
161 1HA GLY 22 1HA GLY 22 -3.945 -4.158 10.468
162 2HA GLY 22 2HA GLY 22 -5.085 -2.983 11.092
163 H GLN 23 H GLN 23 -4.759 -1.559 8.306
164 HA GLN 23 HA GLN 23 -7.069 -2.835 7.198
165 1HB GLN 23 1HB GLN 23 -6.032 -0.298 7.072
166 2HB GLN 23 2HB GLN 23 -5.712 -0.918 5.459
167 1HG GLN 23 1HG GLN 23 -7.840 0.253 5.561
168 2HG GLN 23 2HG GLN 23 -8.069 -1.453 5.182
169 1HE2 GLN 23 1HE2 GLN 23 -9.961 -1.999 6.035
170 2HE2 GLN 23 2HE2 GLN 23 -10.459 -1.696 7.662
171 H ILE 24 H ILE 24 -7.318 -3.465 4.886
172 HA ILE 24 HA ILE 24 -4.940 -4.953 4.013
173 HB ILE 24 HB ILE 24 -7.717 -5.452 3.006
174 1HG1 ILE 24 1HG1 ILE 24 -7.968 -5.623 5.379
175 2HG1 ILE 24 2HG1 ILE 24 -7.828 -7.265 4.760
176 1HG2 ILE 24 1HG2 ILE 24 -6.628 -6.941 1.769
177 2HG2 ILE 24 2HG2 ILE 24 -6.231 -7.812 3.250
178 3HG2 ILE 24 3HG2 ILE 24 -5.116 -6.606 2.609
179 1HD1 ILE 24 1HD1 ILE 24 -5.260 -6.811 5.318
180 2HD1 ILE 24 2HD1 ILE 24 -6.401 -7.444 6.502
181 3HD1 ILE 24 3HD1 ILE 24 -5.999 -5.728 6.497
182 H LEU 25 H LEU 25 -3.817 -3.937 2.508
183 HA LEU 25 HA LEU 25 -5.197 -2.409 0.412
184 1HB LEU 25 1HB LEU 25 -2.349 -2.464 1.365
185 2HB LEU 25 2HB LEU 25 -2.840 -1.627 -0.095
186 HG LEU 25 HG LEU 25 -4.460 -0.898 2.222
187 1HD1 LEU 25 1HD1 LEU 25 -2.451 0.608 2.978
188 2HD1 LEU 25 2HD1 LEU 25 -1.495 -0.734 2.361
189 3HD1 LEU 25 3HD1 LEU 25 -2.676 -1.004 3.643
190 1HD2 LEU 25 1HD2 LEU 25 -2.758 0.894 0.522
191 2HD2 LEU 25 2HD2 LEU 25 -4.293 1.246 1.313
192 3HD2 LEU 25 3HD2 LEU 25 -4.249 0.190 -0.098
193 H LYS 26 H LYS 26 -5.221 -3.074 -1.688
194 HA LYS 26 HA LYS 26 -3.796 -5.541 -2.377
195 1HB LYS 26 1HB LYS 26 -6.125 -4.094 -3.611
196 2HB LYS 26 2HB LYS 26 -5.232 -5.307 -4.519
197 1HG LYS 26 1HG LYS 26 -5.876 -6.349 -1.938
198 2HG LYS 26 2HG LYS 26 -7.333 -5.702 -2.697
199 1HD LYS 26 1HD LYS 26 -7.317 -7.251 -4.363
200 2HD LYS 26 2HD LYS 26 -5.555 -7.353 -4.401
201 1HE LYS 26 1HE LYS 26 -5.631 -8.614 -2.271
202 2HE LYS 26 2HE LYS 26 -7.392 -8.574 -2.344
203 1HZ LYS 26 1HZ LYS 26 -7.443 -10.198 -3.857
204 2HZ LYS 26 2HZ LYS 26 -5.861 -10.537 -3.365
205 3HZ LYS 26 3HZ LYS 26 -6.134 -9.586 -4.737
206 H ILE 27 H ILE 27 -1.988 -5.498 -3.514
207 HA ILE 27 HA ILE 27 -1.134 -3.009 -4.759
208 HB ILE 27 HB ILE 27 0.395 -5.600 -4.712
209 1HG1 ILE 27 1HG1 ILE 27 0.818 -3.399 -2.721
210 2HG1 ILE 27 2HG1 ILE 27 -0.393 -4.638 -2.418
211 1HG2 ILE 27 1HG2 ILE 27 1.134 -3.812 -6.269
212 2HG2 ILE 27 2HG2 ILE 27 2.332 -4.205 -5.033
213 3HG2 ILE 27 3HG2 ILE 27 1.351 -2.747 -4.881
214 1HD1 ILE 27 1HD1 ILE 27 2.340 -5.515 -3.161
215 2HD1 ILE 27 2HD1 ILE 27 1.158 -6.267 -2.091
216 3HD1 ILE 27 3HD1 ILE 27 2.076 -4.866 -1.544
217 H LEU 28 H LEU 28 -0.711 -2.722 -6.881
218 HA LEU 28 HA LEU 28 -1.650 -4.786 -8.786
219 1HB LEU 28 1HB LEU 28 -1.753 -1.791 -9.100
220 2HB LEU 28 2HB LEU 28 -2.294 -2.975 -10.273
221 HG LEU 28 HG LEU 28 -3.687 -3.563 -7.906
222 1HD1 LEU 28 1HD1 LEU 28 -4.146 -1.679 -6.824
223 2HD1 LEU 28 2HD1 LEU 28 -4.560 -0.844 -8.321
224 3HD1 LEU 28 3HD1 LEU 28 -2.883 -0.897 -7.775
225 1HD2 LEU 28 1HD2 LEU 28 -5.257 -3.797 -9.457
226 2HD2 LEU 28 2HD2 LEU 28 -4.192 -3.047 -10.643
227 3HD2 LEU 28 3HD2 LEU 28 -5.302 -2.055 -9.708
228 H ASN 29 H ASN 29 0.654 -2.232 -8.084
229 HA ASN 29 HA ASN 29 2.590 -3.466 -9.872
230 1HB ASN 29 1HB ASN 29 2.836 -1.791 -11.364
231 2HB ASN 29 2HB ASN 29 1.132 -1.577 -11.003
232 1HD2 ASN 29 1HD2 ASN 29 4.333 -0.492 -9.925
233 2HD2 ASN 29 2HD2 ASN 29 3.852 1.131 -9.593
234 H MET 30 H MET 30 4.546 -3.431 -8.895
235 HA MET 30 HA MET 30 5.249 -1.259 -7.079
236 1HB MET 30 1HB MET 30 5.999 -2.922 -5.358
237 2HB MET 30 2HB MET 30 4.255 -2.787 -5.537
238 1HG MET 30 1HG MET 30 4.217 -4.824 -6.855
239 2HG MET 30 2HG MET 30 5.974 -4.940 -6.750
240 1HE MET 30 1HE MET 30 6.971 -6.113 -3.619
241 2HE MET 30 2HE MET 30 7.177 -5.922 -5.361
242 3HE MET 30 3HE MET 30 6.414 -7.375 -4.718
243 H GLU 31 H GLU 31 6.207 -2.150 -9.721
244 HA GLU 31 HA GLU 31 8.931 -2.987 -8.988
245 1HB GLU 31 1HB GLU 31 7.114 -4.261 -10.547
246 2HB GLU 31 2HB GLU 31 8.114 -3.442 -11.730
247 1HG GLU 31 1HG GLU 31 10.107 -4.438 -10.631
248 2HG GLU 31 2HG GLU 31 9.018 -5.373 -9.610
249 H ASP 32 H ASP 32 7.722 -0.152 -9.438
250 HA ASP 32 HA ASP 32 9.546 0.408 -11.612
251 1HB ASP 32 1HB ASP 32 8.341 2.578 -12.009
252 2HB ASP 32 2HB ASP 32 7.413 1.114 -12.317
253 H ASP 33 H ASP 33 9.733 0.352 -8.542
254 HA ASP 33 HA ASP 33 12.086 2.055 -8.544
255 1HB ASP 33 1HB ASP 33 9.548 3.055 -7.680
256 2HB ASP 33 2HB ASP 33 10.601 2.909 -6.278
257 H SER 34 H SER 34 9.813 0.123 -6.647
258 HA SER 34 HA SER 34 10.315 -1.696 -5.265
259 1HB SER 34 1HB SER 34 12.955 -1.024 -5.943
260 2HB SER 34 2HB SER 34 12.881 -0.856 -4.189
261 HG SER 34 HG SER 34 11.912 -3.120 -5.581
262 H ASN 35 H ASN 35 11.663 1.525 -4.384
263 HA ASN 35 HA ASN 35 10.725 1.164 -1.706
264 1HB ASN 35 1HB ASN 35 12.479 3.013 -3.079
265 2HB ASN 35 2HB ASN 35 11.413 3.857 -1.960
266 1HD2 ASN 35 1HD2 ASN 35 14.216 2.059 -2.305
267 2HD2 ASN 35 2HD2 ASN 35 14.554 1.782 -0.633
268 H TRP 36 H TRP 36 8.960 1.904 -4.387
269 HA TRP 36 HA TRP 36 6.958 3.209 -2.721
270 1HB TRP 36 1HB TRP 36 7.987 4.279 -5.363
271 2HB TRP 36 2HB TRP 36 6.466 4.791 -4.642
272 HD1 TRP 36 HD1 TRP 36 10.097 5.609 -4.651
273 HE1 TRP 36 HE1 TRP 36 10.624 7.367 -2.845
274 HE3 TRP 36 HE3 TRP 36 5.694 5.464 -2.041
275 HZ2 TRP 36 HZ2 TRP 36 9.350 8.541 -0.624
276 HZ3 TRP 36 HZ3 TRP 36 5.438 6.937 -0.085
277 HH2 TRP 36 HH2 TRP 36 7.229 8.442 0.607
278 H TYR 37 H TYR 37 4.847 2.389 -3.245
279 HA TYR 37 HA TYR 37 4.666 1.103 -5.859
280 1HB TYR 37 1HB TYR 37 3.252 -0.740 -4.428
281 2HB TYR 37 2HB TYR 37 4.862 -0.950 -5.089
282 HD1 TYR 37 HD1 TYR 37 5.841 -2.408 -3.608
283 HD2 TYR 37 HD2 TYR 37 3.851 1.015 -2.125
284 HE1 TYR 37 HE1 TYR 37 6.648 -2.948 -1.353
285 HE2 TYR 37 HE2 TYR 37 4.640 0.509 0.148
286 HH TYR 37 HH TYR 37 6.693 -2.323 0.789
287 H ARG 38 H ARG 38 2.618 0.571 -6.603
288 HA ARG 38 HA ARG 38 0.567 2.489 -5.743
289 1HB ARG 38 1HB ARG 38 1.434 1.276 -8.262
290 2HB ARG 38 2HB ARG 38 -0.306 1.435 -8.079
291 1HG ARG 38 1HG ARG 38 -0.246 3.679 -8.261
292 2HG ARG 38 2HG ARG 38 1.263 3.816 -7.359
293 1HD ARG 38 1HD ARG 38 1.974 4.440 -9.447
294 2HD ARG 38 2HD ARG 38 2.277 2.707 -9.520
295 HE ARG 38 HE ARG 38 -0.217 2.901 -10.497
296 1HH1 ARG 38 1HH1 ARG 38 2.726 4.621 -11.241
297 2HH1 ARG 38 2HH1 ARG 38 2.293 4.892 -12.895
298 1HH2 ARG 38 1HH2 ARG 38 -0.790 3.271 -12.666
299 2HH2 ARG 38 2HH2 ARG 38 0.306 4.119 -13.705
300 H ALA 39 H ALA 39 -1.382 1.773 -4.914
301 HA ALA 39 HA ALA 39 -2.098 -1.019 -5.395
302 1HB ALA 39 1HB ALA 39 -2.710 -0.380 -2.657
303 2HB ALA 39 2HB ALA 39 -0.979 -0.249 -2.966
304 3HB ALA 39 3HB ALA 39 -1.830 -1.753 -3.323
305 H GLU 40 H GLU 40 -4.300 -1.547 -4.676
306 HA GLU 40 HA GLU 40 -6.079 0.757 -5.080
307 1HB GLU 40 1HB GLU 40 -6.054 -1.953 -6.132
308 2HB GLU 40 2HB GLU 40 -7.594 -1.562 -5.374
309 1HG GLU 40 1HG GLU 40 -8.103 0.053 -6.898
310 2HG GLU 40 2HG GLU 40 -6.414 0.422 -7.237
311 H LEU 41 H LEU 41 -7.570 1.265 -3.571
312 HA LEU 41 HA LEU 41 -8.267 -0.658 -1.495
313 1HB LEU 41 1HB LEU 41 -6.385 0.560 -0.529
314 2HB LEU 41 2HB LEU 41 -7.157 2.089 -0.899
315 HG LEU 41 HG LEU 41 -9.072 1.202 0.634
316 1HD1 LEU 41 1HD1 LEU 41 -6.890 -0.736 1.080
317 2HD1 LEU 41 2HD1 LEU 41 -8.635 -0.932 1.232
318 3HD1 LEU 41 3HD1 LEU 41 -7.721 -0.137 2.515
319 1HD2 LEU 41 1HD2 LEU 41 -8.232 2.970 1.710
320 2HD2 LEU 41 2HD2 LEU 41 -6.593 2.613 1.170
321 3HD2 LEU 41 3HD2 LEU 41 -7.235 1.825 2.610
322 H ASP 42 H ASP 42 -10.372 -0.567 -1.066
323 HA ASP 42 HA ASP 42 -12.565 -0.001 -1.314
324 1HB ASP 42 1HB ASP 42 -11.237 2.246 -0.171
325 2HB ASP 42 2HB ASP 42 -12.428 2.856 -1.316
326 H GLY 43 H GLY 43 -10.767 -0.153 -3.680
327 1HA GLY 43 1HA GLY 43 -11.288 -0.091 -5.949
328 2HA GLY 43 2HA GLY 43 -12.628 0.983 -5.586
329 H LYS 44 H LYS 44 -9.594 1.893 -4.246
330 HA LYS 44 HA LYS 44 -9.252 3.918 -6.367
331 1HB LYS 44 1HB LYS 44 -10.113 4.671 -4.088
332 2HB LYS 44 2HB LYS 44 -8.532 4.229 -3.458
333 1HG LYS 44 1HG LYS 44 -8.342 6.504 -3.848
334 2HG LYS 44 2HG LYS 44 -7.591 5.776 -5.271
335 1HD LYS 44 1HD LYS 44 -10.489 6.272 -5.478
336 2HD LYS 44 2HD LYS 44 -9.477 7.712 -5.367
337 1HE LYS 44 1HE LYS 44 -8.505 5.657 -7.231
338 2HE LYS 44 2HE LYS 44 -10.040 6.396 -7.679
339 1HZ LYS 44 1HZ LYS 44 -8.728 7.958 -8.579
340 2HZ LYS 44 2HZ LYS 44 -7.383 7.543 -7.640
341 3HZ LYS 44 3HZ LYS 44 -8.586 8.541 -6.996
342 H GLU 45 H GLU 45 -7.171 4.298 -7.103
343 HA GLU 45 HA GLU 45 -5.073 2.576 -5.971
344 1HB GLU 45 1HB GLU 45 -5.510 2.175 -8.376
345 2HB GLU 45 2HB GLU 45 -5.185 3.870 -8.707
346 1HG GLU 45 1HG GLU 45 -2.866 3.485 -7.779
347 2HG GLU 45 2HG GLU 45 -3.235 1.763 -7.808
348 H GLY 46 H GLY 46 -2.969 3.448 -5.761
349 1HA GLY 46 1HA GLY 46 -2.243 6.144 -5.943
350 2HA GLY 46 2HA GLY 46 -2.992 5.900 -4.373
351 H LEU 47 H LEU 47 -0.208 6.526 -5.188
352 HA LEU 47 HA LEU 47 1.445 4.285 -4.614
353 1HB LEU 47 1HB LEU 47 1.841 7.212 -4.857
354 2HB LEU 47 2HB LEU 47 3.080 6.273 -4.051
355 HG LEU 47 HG LEU 47 3.113 4.818 -6.152
356 1HD1 LEU 47 1HD1 LEU 47 2.209 5.629 -8.133
357 2HD1 LEU 47 2HD1 LEU 47 1.952 7.243 -7.475
358 3HD1 LEU 47 3HD1 LEU 47 0.922 5.905 -6.961
359 1HD2 LEU 47 1HD2 LEU 47 4.621 6.862 -5.352
360 2HD2 LEU 47 2HD2 LEU 47 3.994 7.560 -6.846
361 3HD2 LEU 47 3HD2 LEU 47 4.881 6.035 -6.887
362 H ILE 48 H ILE 48 2.704 3.926 -2.788
363 HA ILE 48 HA ILE 48 2.047 5.333 -0.315
364 HB ILE 48 HB ILE 48 1.651 3.296 0.961
365 1HG1 ILE 48 1HG1 ILE 48 1.176 1.593 -1.386
366 2HG1 ILE 48 2HG1 ILE 48 2.864 1.971 -1.077
367 1HG2 ILE 48 1HG2 ILE 48 -0.164 3.655 -1.420
368 2HG2 ILE 48 2HG2 ILE 48 -0.344 4.353 0.187
369 3HG2 ILE 48 3HG2 ILE 48 -0.551 2.623 -0.047
370 1HD1 ILE 48 1HD1 ILE 48 2.904 0.803 0.879
371 2HD1 ILE 48 2HD1 ILE 48 1.726 -0.140 -0.032
372 3HD1 ILE 48 3HD1 ILE 48 1.185 1.020 1.176
373 HA PRO 49 HA PRO 49 6.347 4.884 0.351
374 1HB PRO 49 1HB PRO 49 6.507 5.020 3.104
375 2HB PRO 49 2HB PRO 49 6.284 6.417 2.045
376 1HG PRO 49 1HG PRO 49 4.243 4.898 3.614
377 2HG PRO 49 2HG PRO 49 4.369 6.639 3.318
378 1HD PRO 49 1HD PRO 49 2.638 5.037 1.969
379 2HD PRO 49 2HD PRO 49 3.366 6.491 1.266
380 H SER 50 H SER 50 7.368 3.095 0.020
381 HA SER 50 HA SER 50 6.529 0.573 0.567
382 1HB SER 50 1HB SER 50 8.878 1.734 -0.553
383 2HB SER 50 2HB SER 50 9.311 0.342 0.425
384 HG SER 50 HG SER 50 8.626 -0.815 -1.173
385 H ASN 51 H ASN 51 8.860 2.266 2.598
386 HA ASN 51 HA ASN 51 9.234 -0.017 4.291
387 1HB ASN 51 1HB ASN 51 10.456 2.485 3.925
388 2HB ASN 51 2HB ASN 51 9.869 2.486 5.585
389 1HD2 ASN 51 1HD2 ASN 51 10.312 0.355 6.745
390 2HD2 ASN 51 2HD2 ASN 51 11.911 -0.274 6.573
391 H TYR 52 H TYR 52 6.583 1.969 3.920
392 HA TYR 52 HA TYR 52 5.853 1.937 6.752
393 1HB TYR 52 1HB TYR 52 4.999 3.435 4.369
394 2HB TYR 52 2HB TYR 52 3.736 3.092 5.546
395 HD1 TYR 52 HD1 TYR 52 7.300 4.240 5.557
396 HD2 TYR 52 HD2 TYR 52 3.374 4.729 7.125
397 HE1 TYR 52 HE1 TYR 52 8.093 6.109 6.941
398 HE2 TYR 52 HE2 TYR 52 4.156 6.601 8.517
399 HH TYR 52 HH TYR 52 7.239 8.048 8.096
400 H ILE 53 H ILE 53 5.546 -0.281 4.326
401 HA ILE 53 HA ILE 53 3.122 -1.352 5.592
402 HB ILE 53 HB ILE 53 2.309 -2.216 3.440
403 1HG1 ILE 53 1HG1 ILE 53 3.846 -0.414 1.746
404 2HG1 ILE 53 2HG1 ILE 53 4.866 -1.606 2.540
405 1HG2 ILE 53 1HG2 ILE 53 1.137 -0.335 2.950
406 2HG2 ILE 53 2HG2 ILE 53 2.567 0.695 2.945
407 3HG2 ILE 53 3HG2 ILE 53 1.856 0.182 4.475
408 1HD1 ILE 53 1HD1 ILE 53 2.751 -3.110 1.662
409 2HD1 ILE 53 2HD1 ILE 53 4.317 -2.953 0.864
410 3HD1 ILE 53 3HD1 ILE 53 2.968 -1.930 0.370
411 H GLU 54 H GLU 54 2.859 -3.757 4.548
412 HA GLU 54 HA GLU 54 5.469 -5.041 4.365
413 1HB GLU 54 1HB GLU 54 4.234 -4.805 6.836
414 2HB GLU 54 2HB GLU 54 3.809 -6.431 6.317
415 1HG GLU 54 1HG GLU 54 6.629 -5.414 6.266
416 2HG GLU 54 2HG GLU 54 5.912 -6.164 7.692
417 H MET 55 H MET 55 5.461 -6.720 3.055
418 HA MET 55 HA MET 55 3.264 -7.432 1.500
419 1HB MET 55 1HB MET 55 4.632 -9.287 0.696
420 2HB MET 55 2HB MET 55 5.605 -7.829 0.835
421 1HG MET 55 1HG MET 55 6.736 -8.621 2.719
422 2HG MET 55 2HG MET 55 5.530 -9.868 3.028
423 1HE MET 55 1HE MET 55 6.868 -8.917 -0.421
424 2HE MET 55 2HE MET 55 8.144 -10.089 -0.749
425 3HE MET 55 3HE MET 55 8.415 -8.791 0.415
426 H LYS 56 H LYS 56 1.700 -8.942 1.662
427 HA LYS 56 HA LYS 56 1.750 -10.738 3.988
428 1HB LYS 56 1HB LYS 56 0.298 -8.744 4.346
429 2HB LYS 56 2HB LYS 56 -0.664 -9.223 2.959
430 1HG LYS 56 1HG LYS 56 -1.779 -9.878 4.965
431 2HG LYS 56 2HG LYS 56 -1.220 -11.328 4.127
432 1HD LYS 56 1HD LYS 56 -0.034 -11.948 5.908
433 2HD LYS 56 2HD LYS 56 0.823 -10.407 5.913
434 1HE LYS 56 1HE LYS 56 -0.170 -10.026 7.875
435 2HE LYS 56 2HE LYS 56 -1.647 -9.756 6.950
436 1HZ LYS 56 1HZ LYS 56 -2.389 -11.362 8.338
437 2HZ LYS 56 2HZ LYS 56 -0.860 -12.050 8.569
438 3HZ LYS 56 3HZ LYS 56 -1.731 -12.381 7.158
439 H ASN 57 H ASN 57 -1.012 -10.591 1.848
440 HA ASN 57 HA ASN 57 -1.821 -11.990 0.265
441 1HB ASN 57 1HB ASN 57 0.511 -11.589 -0.722
442 2HB ASN 57 2HB ASN 57 0.915 -13.181 -0.087
443 1HD2 ASN 57 1HD2 ASN 57 0.052 -11.674 -2.796
444 2HD2 ASN 57 2HD2 ASN 57 -0.805 -12.930 -3.610
445 H HIS 58 H HIS 58 0.438 -13.601 2.511
446 HA HIS 58 HA HIS 58 0.349 -15.510 3.596
447 1HB HIS 58 1HB HIS 58 -1.816 -14.263 4.287
448 2HB HIS 58 2HB HIS 58 -2.626 -15.560 3.413
449 HD1 HIS 58 HD1 HIS 58 -0.475 -14.927 6.418
450 HD2 HIS 58 HD2 HIS 58 -2.636 -18.022 4.687
451 HE1 HIS 58 HE1 HIS 58 -0.524 -16.754 8.142
452 HE2 HIS 58 HE2 HIS 58 -1.819 -18.630 7.068
453 H ASP 59 H ASP 59 1.285 -16.501 1.685
454 HA ASP 59 HA ASP 59 -0.116 -18.930 1.060
455 1HB ASP 59 1HB ASP 59 0.111 -18.682 -1.419
456 2HB ASP 59 2HB ASP 59 -1.076 -17.596 -0.704
Start of MODEL 9
1 1H MET 1 1H MET 1 1.354 -10.831 -4.151
2 2H MET 1 2H MET 1 0.160 -11.292 -3.008
3 3H MET 1 3H MET 1 1.191 -9.957 -2.686
4 HA MET 1 HA MET 1 0.258 -8.872 -4.663
5 1HB MET 1 1HB MET 1 -0.819 -11.415 -5.052
6 2HB MET 1 2HB MET 1 -2.189 -10.481 -4.462
7 1HG MET 1 1HG MET 1 -2.120 -10.468 -6.882
8 2HG MET 1 2HG MET 1 -1.854 -8.848 -6.242
9 1HE MET 1 1HE MET 1 -0.653 -11.257 -8.931
10 2HE MET 1 2HE MET 1 -0.147 -12.077 -7.455
11 3HE MET 1 3HE MET 1 1.063 -11.464 -8.581
12 H GLU 2 H GLU 2 -0.402 -9.898 -1.552
13 HA GLU 2 HA GLU 2 -2.109 -7.543 -1.213
14 1HB GLU 2 1HB GLU 2 -2.599 -10.286 -0.243
15 2HB GLU 2 2HB GLU 2 -2.875 -9.013 0.938
16 1HG GLU 2 1HG GLU 2 -4.030 -8.520 -1.714
17 2HG GLU 2 2HG GLU 2 -4.712 -9.888 -0.836
18 H ALA 3 H ALA 3 -1.774 -6.312 0.713
19 HA ALA 3 HA ALA 3 0.391 -7.164 2.507
20 1HB ALA 3 1HB ALA 3 1.863 -5.574 1.947
21 2HB ALA 3 2HB ALA 3 0.608 -4.358 1.707
22 3HB ALA 3 3HB ALA 3 0.976 -5.511 0.424
23 H ILE 4 H ILE 4 0.585 -6.007 4.412
24 HA ILE 4 HA ILE 4 -1.885 -4.605 5.226
25 HB ILE 4 HB ILE 4 -0.156 -6.108 7.168
26 1HG1 ILE 4 1HG1 ILE 4 -0.939 -7.687 5.433
27 2HG1 ILE 4 2HG1 ILE 4 -1.657 -8.008 7.008
28 1HG2 ILE 4 1HG2 ILE 4 -2.034 -4.301 7.664
29 2HG2 ILE 4 2HG2 ILE 4 -1.781 -5.704 8.702
30 3HG2 ILE 4 3HG2 ILE 4 -3.074 -5.715 7.503
31 1HD1 ILE 4 1HD1 ILE 4 -3.740 -7.494 6.310
32 2HD1 ILE 4 2HD1 ILE 4 -3.061 -7.953 4.748
33 3HD1 ILE 4 3HD1 ILE 4 -3.180 -6.251 5.193
34 H ALA 5 H ALA 5 -1.694 -2.706 6.319
35 HA ALA 5 HA ALA 5 0.832 -1.388 6.350
36 1HB ALA 5 1HB ALA 5 -1.464 -0.350 6.010
37 2HB ALA 5 2HB ALA 5 -0.327 0.521 7.033
38 3HB ALA 5 3HB ALA 5 -1.627 -0.423 7.762
39 H LYS 6 H LYS 6 2.333 -1.569 7.865
40 HA LYS 6 HA LYS 6 1.684 -2.640 10.529
41 1HB LYS 6 1HB LYS 6 4.367 -1.607 9.618
42 2HB LYS 6 2HB LYS 6 4.029 -2.700 10.952
43 1HG LYS 6 1HG LYS 6 4.528 -4.355 9.568
44 2HG LYS 6 2HG LYS 6 3.004 -4.009 8.745
45 1HD LYS 6 1HD LYS 6 4.366 -3.773 6.960
46 2HD LYS 6 2HD LYS 6 4.556 -2.145 7.606
47 1HE LYS 6 1HE LYS 6 6.385 -4.117 8.766
48 2HE LYS 6 2HE LYS 6 6.604 -3.863 7.035
49 1HZ LYS 6 1HZ LYS 6 6.437 -1.591 8.919
50 2HZ LYS 6 2HZ LYS 6 7.070 -1.616 7.351
51 3HZ LYS 6 3HZ LYS 6 7.904 -2.378 8.609
52 H HIS 7 H HIS 7 1.730 0.310 9.024
53 HA HIS 7 HA HIS 7 1.256 1.668 11.498
54 1HB HIS 7 1HB HIS 7 3.726 2.274 9.884
55 2HB HIS 7 2HB HIS 7 2.986 3.477 10.939
56 HD1 HIS 7 HD1 HIS 7 2.452 2.207 13.483
57 HD2 HIS 7 HD2 HIS 7 5.731 1.035 11.214
58 HE1 HIS 7 HE1 HIS 7 4.009 1.069 15.091
59 HE2 HIS 7 HE2 HIS 7 5.917 0.244 13.670
60 H ASP 8 H ASP 8 1.052 4.111 10.967
61 HA ASP 8 HA ASP 8 -1.070 4.210 9.037
62 1HB ASP 8 1HB ASP 8 0.096 6.241 10.949
63 2HB ASP 8 2HB ASP 8 -1.220 6.631 9.845
64 H PHE 9 H PHE 9 -1.146 5.466 7.115
65 HA PHE 9 HA PHE 9 1.381 6.730 6.391
66 1HB PHE 9 1HB PHE 9 1.825 4.880 5.149
67 2HB PHE 9 2HB PHE 9 0.137 4.400 5.073
68 HD1 PHE 9 HD1 PHE 9 -0.622 4.184 2.956
69 HD2 PHE 9 HD2 PHE 9 2.118 7.317 3.825
70 HE1 PHE 9 HE1 PHE 9 -0.713 4.903 0.610
71 HE2 PHE 9 HE2 PHE 9 2.038 8.045 1.478
72 HZ PHE 9 HZ PHE 9 0.623 6.834 -0.136
73 H SER 10 H SER 10 1.133 8.660 5.613
74 HA SER 10 HA SER 10 -1.309 9.345 4.112
75 1HB SER 10 1HB SER 10 0.364 11.275 5.742
76 2HB SER 10 2HB SER 10 -1.196 11.593 4.983
77 HG SER 10 HG SER 10 -1.279 11.163 7.283
78 H ALA 11 H ALA 11 -1.085 9.980 2.148
79 HA ALA 11 HA ALA 11 1.175 9.567 0.676
80 1HB ALA 11 1HB ALA 11 -0.068 11.176 -0.959
81 2HB ALA 11 2HB ALA 11 -1.358 11.044 0.234
82 3HB ALA 11 3HB ALA 11 -0.737 9.595 -0.551
83 H THR 12 H THR 12 2.846 10.627 0.038
84 HA THR 12 HA THR 12 3.202 13.389 0.956
85 HB THR 12 HB THR 12 4.991 11.001 0.875
86 HG1 THR 12 HG1 THR 12 4.661 11.575 2.870
87 1HG2 THR 12 1HG2 THR 12 6.080 12.803 -0.652
88 2HG2 THR 12 2HG2 THR 12 7.026 12.036 0.616
89 3HG2 THR 12 3HG2 THR 12 6.372 13.654 0.863
90 H ALA 13 H ALA 13 2.166 11.969 -1.620
91 HA ALA 13 HA ALA 13 3.063 14.106 -3.357
92 1HB ALA 13 1HB ALA 13 3.746 12.567 -5.150
93 2HB ALA 13 2HB ALA 13 3.535 11.203 -4.060
94 3HB ALA 13 3HB ALA 13 4.776 12.406 -3.730
95 H ASP 14 H ASP 14 1.869 14.075 -5.381
96 HA ASP 14 HA ASP 14 -0.880 13.944 -4.883
97 1HB ASP 14 1HB ASP 14 0.724 15.140 -6.777
98 2HB ASP 14 2HB ASP 14 -0.196 13.978 -7.726
99 H ASP 15 H ASP 15 1.254 11.691 -6.403
100 HA ASP 15 HA ASP 15 -0.942 10.108 -7.433
101 1HB ASP 15 1HB ASP 15 2.049 9.903 -7.664
102 2HB ASP 15 2HB ASP 15 0.942 8.713 -8.335
103 H GLU 16 H GLU 16 -0.151 10.306 -4.460
104 HA GLU 16 HA GLU 16 0.196 7.434 -3.899
105 1HB GLU 16 1HB GLU 16 0.617 9.619 -1.911
106 2HB GLU 16 2HB GLU 16 1.252 7.989 -1.893
107 1HG GLU 16 1HG GLU 16 2.565 8.727 -3.968
108 2HG GLU 16 2HG GLU 16 2.146 10.355 -3.483
109 H LEU 17 H LEU 17 -0.792 6.736 -1.842
110 HA LEU 17 HA LEU 17 -3.510 7.858 -1.619
111 1HB LEU 17 1HB LEU 17 -2.763 5.324 -2.384
112 2HB LEU 17 2HB LEU 17 -3.177 5.105 -0.705
113 HG LEU 17 HG LEU 17 -4.949 6.045 -2.951
114 1HD1 LEU 17 1HD1 LEU 17 -5.006 3.725 -1.043
115 2HD1 LEU 17 2HD1 LEU 17 -4.849 3.687 -2.800
116 3HD1 LEU 17 3HD1 LEU 17 -6.373 4.178 -2.060
117 1HD2 LEU 17 1HD2 LEU 17 -5.741 5.995 -0.048
118 2HD2 LEU 17 2HD2 LEU 17 -6.696 6.549 -1.419
119 3HD2 LEU 17 3HD2 LEU 17 -5.279 7.465 -0.906
120 H SER 18 H SER 18 -4.272 6.342 0.751
121 HA SER 18 HA SER 18 -2.398 6.875 2.845
122 1HB SER 18 1HB SER 18 -3.736 9.097 2.253
123 2HB SER 18 2HB SER 18 -4.993 8.298 3.195
124 HG SER 18 HG SER 18 -3.286 9.719 4.263
125 H PHE 19 H PHE 19 -3.113 5.960 4.833
126 HA PHE 19 HA PHE 19 -5.699 4.791 5.129
127 1HB PHE 19 1HB PHE 19 -4.069 3.302 3.542
128 2HB PHE 19 2HB PHE 19 -3.722 2.621 5.121
129 HD1 PHE 19 HD1 PHE 19 -6.662 3.227 6.119
130 HD2 PHE 19 HD2 PHE 19 -5.029 1.221 2.737
131 HE1 PHE 19 HE1 PHE 19 -8.667 1.820 5.997
132 HE2 PHE 19 HE2 PHE 19 -7.048 -0.185 2.600
133 HZ PHE 19 HZ PHE 19 -8.865 0.110 4.235
134 H ARG 20 H ARG 20 -5.698 3.252 7.111
135 HA ARG 20 HA ARG 20 -4.010 4.449 9.186
136 1HB ARG 20 1HB ARG 20 -6.645 3.046 9.607
137 2HB ARG 20 2HB ARG 20 -5.824 4.153 10.699
138 1HG ARG 20 1HG ARG 20 -6.794 5.064 8.012
139 2HG ARG 20 2HG ARG 20 -7.875 4.995 9.403
140 1HD ARG 20 1HD ARG 20 -5.814 6.296 10.512
141 2HD ARG 20 2HD ARG 20 -5.609 6.815 8.841
142 HE ARG 20 HE ARG 20 -7.813 7.465 10.627
143 1HH1 ARG 20 1HH1 ARG 20 -6.528 7.590 7.382
144 2HH1 ARG 20 2HH1 ARG 20 -7.574 8.876 6.888
145 1HH2 ARG 20 1HH2 ARG 20 -9.186 9.153 9.971
146 2HH2 ARG 20 2HH2 ARG 20 -9.082 9.762 8.353
147 H LYS 21 H LYS 21 -3.331 3.119 10.950
148 HA LYS 21 HA LYS 21 -2.004 0.841 10.285
149 1HB LYS 21 1HB LYS 21 -1.212 1.116 12.329
150 2HB LYS 21 2HB LYS 21 -2.498 2.258 12.668
151 1HG LYS 21 1HG LYS 21 -3.516 -0.399 12.979
152 2HG LYS 21 2HG LYS 21 -2.012 -0.236 13.880
153 1HD LYS 21 1HD LYS 21 -2.984 1.043 15.432
154 2HD LYS 21 2HD LYS 21 -3.706 2.090 14.209
155 1HE LYS 21 1HE LYS 21 -4.848 -0.617 14.829
156 2HE LYS 21 2HE LYS 21 -5.284 0.805 15.777
157 1HZ LYS 21 1HZ LYS 21 -6.453 1.699 14.072
158 2HZ LYS 21 2HZ LYS 21 -6.630 0.073 13.641
159 3HZ LYS 21 3HZ LYS 21 -5.467 1.028 12.872
160 H GLY 22 H GLY 22 -2.316 -1.261 10.108
161 1HA GLY 22 1HA GLY 22 -3.351 -3.323 10.232
162 2HA GLY 22 2HA GLY 22 -4.706 -2.569 11.048
163 H GLN 23 H GLN 23 -4.012 -0.914 8.175
164 HA GLN 23 HA GLN 23 -6.445 -1.842 7.017
165 1HB GLN 23 1HB GLN 23 -5.704 -0.318 5.124
166 2HB GLN 23 2HB GLN 23 -5.995 0.442 6.681
167 1HG GLN 23 1HG GLN 23 -3.992 1.389 6.403
168 2HG GLN 23 2HG GLN 23 -3.331 -0.191 6.798
169 1HE2 GLN 23 1HE2 GLN 23 -4.221 -1.466 4.423
170 2HE2 GLN 23 2HE2 GLN 23 -3.207 -0.940 3.164
171 H ILE 24 H ILE 24 -6.691 -2.599 4.766
172 HA ILE 24 HA ILE 24 -4.433 -4.321 3.994
173 HB ILE 24 HB ILE 24 -7.395 -4.675 3.803
174 1HG1 ILE 24 1HG1 ILE 24 -6.785 -6.925 4.671
175 2HG1 ILE 24 2HG1 ILE 24 -5.095 -6.445 4.646
176 1HG2 ILE 24 1HG2 ILE 24 -6.750 -6.761 2.379
177 2HG2 ILE 24 2HG2 ILE 24 -5.344 -5.790 1.940
178 3HG2 ILE 24 3HG2 ILE 24 -6.968 -5.197 1.594
179 1HD1 ILE 24 1HD1 ILE 24 -7.018 -6.075 6.694
180 2HD1 ILE 24 2HD1 ILE 24 -6.505 -4.491 6.122
181 3HD1 ILE 24 3HD1 ILE 24 -5.307 -5.649 6.693
182 H LEU 25 H LEU 25 -3.267 -3.354 2.455
183 HA LEU 25 HA LEU 25 -4.541 -1.826 0.298
184 1HB LEU 25 1HB LEU 25 -1.677 -2.252 1.149
185 2HB LEU 25 2HB LEU 25 -2.070 -1.520 -0.390
186 HG LEU 25 HG LEU 25 -3.346 -0.260 1.945
187 1HD1 LEU 25 1HD1 LEU 25 -1.150 -0.828 2.876
188 2HD1 LEU 25 2HD1 LEU 25 -1.336 0.910 2.647
189 3HD1 LEU 25 3HD1 LEU 25 -0.373 -0.028 1.509
190 1HD2 LEU 25 1HD2 LEU 25 -3.660 0.804 -0.131
191 2HD2 LEU 25 2HD2 LEU 25 -1.946 0.701 -0.526
192 3HD2 LEU 25 3HD2 LEU 25 -2.490 1.786 0.749
193 H LYS 26 H LYS 26 -4.625 -2.521 -1.820
194 HA LYS 26 HA LYS 26 -3.890 -5.301 -2.314
195 1HB LYS 26 1HB LYS 26 -5.895 -3.473 -3.269
196 2HB LYS 26 2HB LYS 26 -5.006 -4.138 -4.631
197 1HG LYS 26 1HG LYS 26 -6.499 -5.795 -4.484
198 2HG LYS 26 2HG LYS 26 -5.449 -6.376 -3.193
199 1HD LYS 26 1HD LYS 26 -7.771 -6.377 -2.464
200 2HD LYS 26 2HD LYS 26 -6.830 -5.205 -1.543
201 1HE LYS 26 1HE LYS 26 -9.084 -4.402 -2.258
202 2HE LYS 26 2HE LYS 26 -7.745 -3.382 -2.775
203 1HZ LYS 26 1HZ LYS 26 -8.326 -3.663 -4.880
204 2HZ LYS 26 2HZ LYS 26 -9.721 -4.463 -4.359
205 3HZ LYS 26 3HZ LYS 26 -8.332 -5.349 -4.737
206 H ILE 27 H ILE 27 -2.089 -5.872 -3.395
207 HA ILE 27 HA ILE 27 -0.447 -3.809 -4.611
208 HB ILE 27 HB ILE 27 0.134 -6.759 -4.425
209 1HG1 ILE 27 1HG1 ILE 27 -0.283 -5.803 -2.190
210 2HG1 ILE 27 2HG1 ILE 27 1.403 -6.258 -2.405
211 1HG2 ILE 27 1HG2 ILE 27 1.975 -4.397 -4.762
212 2HG2 ILE 27 2HG2 ILE 27 1.460 -5.479 -6.056
213 3HG2 ILE 27 3HG2 ILE 27 2.441 -6.097 -4.728
214 1HD1 ILE 27 1HD1 ILE 27 2.134 -4.103 -2.339
215 2HD1 ILE 27 2HD1 ILE 27 0.710 -3.972 -1.308
216 3HD1 ILE 27 3HD1 ILE 27 0.628 -3.453 -2.991
217 H LEU 28 H LEU 28 -0.131 -3.494 -6.688
218 HA LEU 28 HA LEU 28 -1.142 -5.439 -8.669
219 1HB LEU 28 1HB LEU 28 -1.624 -2.460 -8.714
220 2HB LEU 28 2HB LEU 28 -2.015 -3.568 -10.014
221 HG LEU 28 HG LEU 28 -3.254 -3.529 -7.264
222 1HD1 LEU 28 1HD1 LEU 28 -5.321 -3.153 -8.756
223 2HD1 LEU 28 2HD1 LEU 28 -4.152 -2.659 -9.981
224 3HD1 LEU 28 3HD1 LEU 28 -4.237 -1.801 -8.445
225 1HD2 LEU 28 1HD2 LEU 28 -3.545 -5.726 -7.636
226 2HD2 LEU 28 2HD2 LEU 28 -3.189 -5.590 -9.357
227 3HD2 LEU 28 3HD2 LEU 28 -4.798 -5.190 -8.754
228 H ASN 29 H ASN 29 0.884 -2.628 -7.994
229 HA ASN 29 HA ASN 29 2.942 -3.682 -9.759
230 1HB ASN 29 1HB ASN 29 3.165 -1.434 -10.896
231 2HB ASN 29 2HB ASN 29 1.817 -2.450 -11.387
232 1HD2 ASN 29 1HD2 ASN 29 2.480 0.544 -11.198
233 2HD2 ASN 29 2HD2 ASN 29 1.019 1.216 -10.568
234 H MET 30 H MET 30 5.009 -2.942 -9.209
235 HA MET 30 HA MET 30 5.208 -1.600 -6.643
236 1HB MET 30 1HB MET 30 7.221 -2.967 -8.425
237 2HB MET 30 2HB MET 30 7.677 -2.119 -6.954
238 1HG MET 30 1HG MET 30 6.075 -3.623 -5.726
239 2HG MET 30 2HG MET 30 5.941 -4.557 -7.215
240 1HE MET 30 1HE MET 30 8.173 -7.137 -5.603
241 2HE MET 30 2HE MET 30 6.752 -6.775 -6.580
242 3HE MET 30 3HE MET 30 6.782 -6.337 -4.871
243 H GLU 31 H GLU 31 5.125 -0.655 -9.836
244 HA GLU 31 HA GLU 31 5.256 1.404 -10.739
245 1HB GLU 31 1HB GLU 31 5.094 2.222 -8.337
246 2HB GLU 31 2HB GLU 31 6.839 2.413 -8.412
247 1HG GLU 31 1HG GLU 31 6.356 3.764 -10.563
248 2HG GLU 31 2HG GLU 31 4.712 3.857 -9.933
249 H ASP 32 H ASP 32 7.897 2.893 -9.832
250 HA ASP 32 HA ASP 32 9.511 1.389 -11.681
251 1HB ASP 32 1HB ASP 32 10.803 3.488 -12.211
252 2HB ASP 32 2HB ASP 32 9.147 3.390 -12.804
253 H ASP 33 H ASP 33 9.359 1.492 -8.580
254 HA ASP 33 HA ASP 33 12.088 0.705 -8.392
255 1HB ASP 33 1HB ASP 33 12.701 2.417 -6.715
256 2HB ASP 33 2HB ASP 33 12.307 3.115 -8.283
257 H SER 34 H SER 34 12.663 0.052 -6.224
258 HA SER 34 HA SER 34 10.725 -1.682 -5.013
259 1HB SER 34 1HB SER 34 13.576 -0.933 -4.450
260 2HB SER 34 2HB SER 34 12.652 -1.912 -3.310
261 HG SER 34 HG SER 34 12.905 -2.538 -6.063
262 H ASN 35 H ASN 35 11.627 1.687 -4.307
263 HA ASN 35 HA ASN 35 10.752 1.331 -1.572
264 1HB ASN 35 1HB ASN 35 12.488 3.096 -2.747
265 2HB ASN 35 2HB ASN 35 11.096 4.109 -2.382
266 1HD2 ASN 35 1HD2 ASN 35 13.388 4.652 -1.147
267 2HD2 ASN 35 2HD2 ASN 35 13.323 4.200 0.519
268 H TRP 36 H TRP 36 9.271 2.592 -4.472
269 HA TRP 36 HA TRP 36 6.931 3.279 -2.805
270 1HB TRP 36 1HB TRP 36 7.712 4.301 -5.551
271 2HB TRP 36 2HB TRP 36 6.176 4.658 -4.761
272 HD1 TRP 36 HD1 TRP 36 9.498 6.095 -5.195
273 HE1 TRP 36 HE1 TRP 36 9.981 7.914 -3.439
274 HE3 TRP 36 HE3 TRP 36 5.683 5.113 -1.912
275 HZ2 TRP 36 HZ2 TRP 36 8.909 8.806 -0.990
276 HZ3 TRP 36 HZ3 TRP 36 5.495 6.499 0.110
277 HH2 TRP 36 HH2 TRP 36 7.073 8.306 0.564
278 H TYR 37 H TYR 37 5.073 2.090 -3.127
279 HA TYR 37 HA TYR 37 5.039 0.239 -5.422
280 1HB TYR 37 1HB TYR 37 4.156 -0.222 -2.569
281 2HB TYR 37 2HB TYR 37 3.707 -1.287 -3.895
282 HD1 TYR 37 HD1 TYR 37 6.598 -0.790 -5.210
283 HD2 TYR 37 HD2 TYR 37 5.183 -2.135 -1.431
284 HE1 TYR 37 HE1 TYR 37 8.675 -2.063 -4.893
285 HE2 TYR 37 HE2 TYR 37 7.258 -3.411 -1.101
286 HH TYR 37 HH TYR 37 10.006 -2.973 -2.993
287 H ARG 38 H ARG 38 2.770 -0.517 -5.956
288 HA ARG 38 HA ARG 38 0.929 1.744 -5.587
289 1HB ARG 38 1HB ARG 38 1.400 -0.034 -7.949
290 2HB ARG 38 2HB ARG 38 -0.111 0.841 -7.764
291 1HG ARG 38 1HG ARG 38 2.569 2.182 -7.687
292 2HG ARG 38 2HG ARG 38 1.650 1.955 -9.168
293 1HD ARG 38 1HD ARG 38 -0.097 3.331 -8.434
294 2HD ARG 38 2HD ARG 38 0.456 3.273 -6.760
295 HE ARG 38 HE ARG 38 2.498 4.483 -7.729
296 1HH1 ARG 38 1HH1 ARG 38 -0.796 4.937 -8.805
297 2HH1 ARG 38 2HH1 ARG 38 -0.514 6.555 -9.347
298 1HH2 ARG 38 1HH2 ARG 38 2.858 6.582 -8.436
299 2HH2 ARG 38 2HH2 ARG 38 1.573 7.473 -9.175
300 H ALA 39 H ALA 39 -0.944 1.427 -4.629
301 HA ALA 39 HA ALA 39 -2.089 -1.260 -4.639
302 1HB ALA 39 1HB ALA 39 -1.123 0.179 -2.295
303 2HB ALA 39 2HB ALA 39 -1.448 -1.541 -2.520
304 3HB ALA 39 3HB ALA 39 -2.766 -0.435 -2.134
305 H GLU 40 H GLU 40 -4.289 -1.421 -4.291
306 HA GLU 40 HA GLU 40 -5.813 1.029 -4.868
307 1HB GLU 40 1HB GLU 40 -5.844 -1.425 -6.113
308 2HB GLU 40 2HB GLU 40 -7.194 -1.568 -4.994
309 1HG GLU 40 1HG GLU 40 -7.649 0.885 -6.042
310 2HG GLU 40 2HG GLU 40 -6.902 0.062 -7.410
311 H LEU 41 H LEU 41 -7.483 1.657 -3.505
312 HA LEU 41 HA LEU 41 -8.365 -0.090 -1.374
313 1HB LEU 41 1HB LEU 41 -6.904 0.766 0.093
314 2HB LEU 41 2HB LEU 41 -6.480 2.095 -0.965
315 HG LEU 41 HG LEU 41 -8.605 3.237 -0.194
316 1HD1 LEU 41 1HD1 LEU 41 -9.339 2.421 2.109
317 2HD1 LEU 41 2HD1 LEU 41 -8.563 0.896 1.683
318 3HD1 LEU 41 3HD1 LEU 41 -9.897 1.505 0.712
319 1HD2 LEU 41 1HD2 LEU 41 -6.160 3.492 0.662
320 2HD2 LEU 41 2HD2 LEU 41 -6.806 2.754 2.122
321 3HD2 LEU 41 3HD2 LEU 41 -7.488 4.261 1.529
322 H ASP 42 H ASP 42 -10.446 0.199 -0.964
323 HA ASP 42 HA ASP 42 -12.593 0.875 -1.240
324 1HB ASP 42 1HB ASP 42 -11.303 2.906 0.063
325 2HB ASP 42 2HB ASP 42 -12.020 3.755 -1.303
326 H GLY 43 H GLY 43 -10.992 0.504 -3.664
327 1HA GLY 43 1HA GLY 43 -11.635 0.589 -5.912
328 2HA GLY 43 2HA GLY 43 -12.853 1.774 -5.484
329 H LYS 44 H LYS 44 -9.779 2.565 -4.282
330 HA LYS 44 HA LYS 44 -9.327 4.442 -6.515
331 1HB LYS 44 1HB LYS 44 -9.945 5.046 -3.899
332 2HB LYS 44 2HB LYS 44 -8.190 5.135 -3.895
333 1HG LYS 44 1HG LYS 44 -8.732 6.541 -6.128
334 2HG LYS 44 2HG LYS 44 -10.174 6.890 -5.173
335 1HD LYS 44 1HD LYS 44 -7.648 7.059 -3.687
336 2HD LYS 44 2HD LYS 44 -7.816 8.239 -4.987
337 1HE LYS 44 1HE LYS 44 -9.650 9.248 -4.019
338 2HE LYS 44 2HE LYS 44 -10.084 7.811 -3.095
339 1HZ LYS 44 1HZ LYS 44 -9.088 8.776 -1.379
340 2HZ LYS 44 2HZ LYS 44 -8.441 10.007 -2.341
341 3HZ LYS 44 3HZ LYS 44 -7.606 8.547 -2.164
342 H GLU 45 H GLU 45 -7.237 4.600 -7.300
343 HA GLU 45 HA GLU 45 -5.303 2.727 -6.127
344 1HB GLU 45 1HB GLU 45 -5.926 2.249 -8.474
345 2HB GLU 45 2HB GLU 45 -5.365 3.848 -8.940
346 1HG GLU 45 1HG GLU 45 -3.580 2.536 -9.516
347 2HG GLU 45 2HG GLU 45 -3.118 3.068 -7.899
348 H GLY 46 H GLY 46 -3.266 3.270 -5.728
349 1HA GLY 46 1HA GLY 46 -2.005 5.744 -6.241
350 2HA GLY 46 2HA GLY 46 -2.800 5.811 -4.671
351 H LEU 47 H LEU 47 0.055 5.881 -5.270
352 HA LEU 47 HA LEU 47 1.198 3.373 -4.540
353 1HB LEU 47 1HB LEU 47 3.306 4.424 -4.614
354 2HB LEU 47 2HB LEU 47 2.348 5.110 -5.909
355 HG LEU 47 HG LEU 47 1.844 6.957 -4.096
356 1HD1 LEU 47 1HD1 LEU 47 4.365 7.177 -3.090
357 2HD1 LEU 47 2HD1 LEU 47 4.061 5.445 -2.961
358 3HD1 LEU 47 3HD1 LEU 47 2.958 6.593 -2.204
359 1HD2 LEU 47 1HD2 LEU 47 2.766 7.967 -5.852
360 2HD2 LEU 47 2HD2 LEU 47 3.864 6.622 -6.166
361 3HD2 LEU 47 3HD2 LEU 47 4.285 7.843 -4.964
362 H ILE 48 H ILE 48 2.639 3.084 -2.727
363 HA ILE 48 HA ILE 48 1.831 4.450 -0.235
364 HB ILE 48 HB ILE 48 2.509 1.608 0.096
365 1HG1 ILE 48 1HG1 ILE 48 -0.138 1.280 -0.546
366 2HG1 ILE 48 2HG1 ILE 48 0.427 2.340 -1.831
367 1HG2 ILE 48 1HG2 ILE 48 1.526 3.236 1.814
368 2HG2 ILE 48 2HG2 ILE 48 0.898 1.600 1.757
369 3HG2 ILE 48 3HG2 ILE 48 -0.012 2.919 1.028
370 1HD1 ILE 48 1HD1 ILE 48 1.920 -0.136 -1.074
371 2HD1 ILE 48 2HD1 ILE 48 1.994 0.787 -2.574
372 3HD1 ILE 48 3HD1 ILE 48 0.569 -0.177 -2.203
373 HA PRO 49 HA PRO 49 6.203 4.433 0.369
374 1HB PRO 49 1HB PRO 49 6.437 4.941 3.031
375 2HB PRO 49 2HB PRO 49 5.841 6.169 1.909
376 1HG PRO 49 1HG PRO 49 4.324 4.411 3.767
377 2HG PRO 49 2HG PRO 49 4.026 6.099 3.326
378 1HD PRO 49 1HD PRO 49 2.691 3.905 2.273
379 2HD PRO 49 2HD PRO 49 2.767 5.497 1.517
380 H SER 50 H SER 50 7.284 2.613 0.222
381 HA SER 50 HA SER 50 6.509 0.126 1.001
382 1HB SER 50 1HB SER 50 8.557 1.099 -0.470
383 2HB SER 50 2HB SER 50 9.426 0.456 0.917
384 HG SER 50 HG SER 50 9.096 -1.446 0.123
385 H ASN 51 H ASN 51 8.067 2.353 3.004
386 HA ASN 51 HA ASN 51 9.023 0.493 4.973
387 1HB ASN 51 1HB ASN 51 8.577 3.439 5.416
388 2HB ASN 51 2HB ASN 51 9.696 2.375 6.259
389 1HD2 ASN 51 1HD2 ASN 51 9.017 3.938 3.185
390 2HD2 ASN 51 2HD2 ASN 51 10.645 3.921 2.607
391 H TYR 52 H TYR 52 5.955 2.046 4.467
392 HA TYR 52 HA TYR 52 5.140 1.550 7.241
393 1HB TYR 52 1HB TYR 52 3.916 3.069 4.969
394 2HB TYR 52 2HB TYR 52 2.943 2.591 6.351
395 HD1 TYR 52 HD1 TYR 52 3.733 5.426 5.295
396 HD2 TYR 52 HD2 TYR 52 5.202 2.963 8.439
397 HE1 TYR 52 HE1 TYR 52 4.484 7.426 6.500
398 HE2 TYR 52 HE2 TYR 52 5.955 4.964 9.655
399 HH TYR 52 HH TYR 52 5.027 7.688 9.474
400 H ILE 53 H ILE 53 5.383 -0.460 4.713
401 HA ILE 53 HA ILE 53 2.963 -1.907 5.518
402 HB ILE 53 HB ILE 53 2.664 -2.613 3.116
403 1HG1 ILE 53 1HG1 ILE 53 4.381 -0.188 2.554
404 2HG1 ILE 53 2HG1 ILE 53 4.944 -1.849 2.405
405 1HG2 ILE 53 1HG2 ILE 53 1.974 0.050 2.660
406 2HG2 ILE 53 2HG2 ILE 53 1.915 -0.145 4.412
407 3HG2 ILE 53 3HG2 ILE 53 0.963 -1.206 3.374
408 1HD1 ILE 53 1HD1 ILE 53 3.665 -2.255 0.543
409 2HD1 ILE 53 2HD1 ILE 53 4.109 -0.564 0.317
410 3HD1 ILE 53 3HD1 ILE 53 2.508 -0.981 0.928
411 H GLU 54 H GLU 54 2.984 -4.193 4.652
412 HA GLU 54 HA GLU 54 5.662 -5.311 4.266
413 1HB GLU 54 1HB GLU 54 5.385 -5.303 6.696
414 2HB GLU 54 2HB GLU 54 3.853 -6.145 6.544
415 1HG GLU 54 1HG GLU 54 5.438 -7.761 7.184
416 2HG GLU 54 2HG GLU 54 5.146 -8.027 5.464
417 H MET 55 H MET 55 5.679 -7.061 3.007
418 HA MET 55 HA MET 55 3.497 -7.714 1.433
419 1HB MET 55 1HB MET 55 6.210 -8.456 1.603
420 2HB MET 55 2HB MET 55 5.289 -9.954 1.592
421 1HG MET 55 1HG MET 55 5.650 -9.581 -0.647
422 2HG MET 55 2HG MET 55 4.046 -8.893 -0.409
423 1HE MET 55 1HE MET 55 3.453 -6.887 -1.600
424 2HE MET 55 2HE MET 55 4.483 -7.617 -2.832
425 3HE MET 55 3HE MET 55 4.609 -5.892 -2.486
426 H LYS 56 H LYS 56 1.754 -8.871 1.732
427 HA LYS 56 HA LYS 56 1.666 -10.736 4.003
428 1HB LYS 56 1HB LYS 56 0.116 -8.794 4.100
429 2HB LYS 56 2HB LYS 56 -0.643 -9.351 2.617
430 1HG LYS 56 1HG LYS 56 -2.067 -10.137 4.254
431 2HG LYS 56 2HG LYS 56 -1.052 -11.542 3.923
432 1HD LYS 56 1HD LYS 56 0.392 -10.828 5.850
433 2HD LYS 56 2HD LYS 56 -0.835 -9.622 6.233
434 1HE LYS 56 1HE LYS 56 -1.721 -12.431 5.874
435 2HE LYS 56 2HE LYS 56 -0.826 -12.036 7.340
436 1HZ LYS 56 1HZ LYS 56 -2.667 -11.185 8.191
437 2HZ LYS 56 2HZ LYS 56 -3.526 -11.573 6.787
438 3HZ LYS 56 3HZ LYS 56 -2.776 -10.063 6.929
439 H ASN 57 H ASN 57 -1.011 -11.067 1.980
440 HA ASN 57 HA ASN 57 -1.697 -12.572 0.459
441 1HB ASN 57 1HB ASN 57 -0.362 -12.776 -1.316
442 2HB ASN 57 2HB ASN 57 0.868 -11.924 -0.388
443 1HD2 ASN 57 1HD2 ASN 57 -0.029 -14.811 -1.890
444 2HD2 ASN 57 2HD2 ASN 57 1.331 -15.767 -1.419
445 H HIS 58 H HIS 58 0.899 -13.800 2.652
446 HA HIS 58 HA HIS 58 1.133 -15.705 3.746
447 1HB HIS 58 1HB HIS 58 -1.117 -14.742 4.532
448 2HB HIS 58 2HB HIS 58 -1.841 -16.060 3.618
449 HD1 HIS 58 HD1 HIS 58 -0.252 -15.278 6.831
450 HD2 HIS 58 HD2 HIS 58 -1.129 -18.672 4.607
451 HE1 HIS 58 HE1 HIS 58 0.001 -17.210 8.422
452 HE2 HIS 58 HE2 HIS 58 -0.435 -19.260 7.024
453 H ASP 59 H ASP 59 2.209 -16.759 2.080
454 HA ASP 59 HA ASP 59 2.659 -18.449 0.627
455 1HB ASP 59 1HB ASP 59 1.977 -20.581 1.315
456 2HB ASP 59 2HB ASP 59 1.898 -19.627 2.794
Start of MODEL 10
1 1H MET 1 1H MET 1 -2.665 -10.381 -4.720
2 2H MET 1 2H MET 1 -1.656 -11.602 -4.065
3 3H MET 1 3H MET 1 -1.431 -11.080 -5.679
4 HA MET 1 HA MET 1 0.104 -10.258 -3.830
5 1HB MET 1 1HB MET 1 -1.141 -8.230 -5.693
6 2HB MET 1 2HB MET 1 0.531 -8.319 -5.164
7 1HG MET 1 1HG MET 1 0.428 -10.655 -6.382
8 2HG MET 1 2HG MET 1 -0.888 -9.874 -7.254
9 1HE MET 1 1HE MET 1 0.009 -8.278 -9.710
10 2HE MET 1 2HE MET 1 0.573 -6.854 -8.836
11 3HE MET 1 3HE MET 1 -0.827 -7.752 -8.249
12 H GLU 2 H GLU 2 -0.979 -10.173 -1.703
13 HA GLU 2 HA GLU 2 -2.494 -7.689 -1.312
14 1HB GLU 2 1HB GLU 2 -3.949 -9.554 -0.912
15 2HB GLU 2 2HB GLU 2 -2.753 -10.343 0.104
16 1HG GLU 2 1HG GLU 2 -3.081 -8.794 1.856
17 2HG GLU 2 2HG GLU 2 -4.001 -7.704 0.819
18 H ALA 3 H ALA 3 -2.154 -6.523 0.641
19 HA ALA 3 HA ALA 3 0.094 -7.314 2.340
20 1HB ALA 3 1HB ALA 3 1.156 -5.974 0.623
21 2HB ALA 3 2HB ALA 3 1.132 -5.088 2.149
22 3HB ALA 3 3HB ALA 3 -0.018 -4.682 0.878
23 H ILE 4 H ILE 4 0.372 -5.724 4.145
24 HA ILE 4 HA ILE 4 -2.216 -4.586 4.987
25 HB ILE 4 HB ILE 4 -1.843 -5.400 7.280
26 1HG1 ILE 4 1HG1 ILE 4 -0.150 -7.553 7.057
27 2HG1 ILE 4 2HG1 ILE 4 0.669 -6.342 6.074
28 1HG2 ILE 4 1HG2 ILE 4 -2.781 -7.487 6.925
29 2HG2 ILE 4 2HG2 ILE 4 -1.793 -7.791 5.500
30 3HG2 ILE 4 3HG2 ILE 4 -3.127 -6.650 5.412
31 1HD1 ILE 4 1HD1 ILE 4 -0.095 -5.005 8.396
32 2HD1 ILE 4 2HD1 ILE 4 1.526 -5.534 7.945
33 3HD1 ILE 4 3HD1 ILE 4 0.501 -6.578 8.930
34 H ALA 5 H ALA 5 -2.185 -2.733 6.110
35 HA ALA 5 HA ALA 5 0.165 -1.138 6.074
36 1HB ALA 5 1HB ALA 5 -1.182 0.600 6.906
37 2HB ALA 5 2HB ALA 5 -2.360 -0.526 7.558
38 3HB ALA 5 3HB ALA 5 -2.205 -0.332 5.815
39 H LYS 6 H LYS 6 1.710 -0.966 7.498
40 HA LYS 6 HA LYS 6 1.404 -2.168 10.155
41 1HB LYS 6 1HB LYS 6 3.787 -1.173 8.605
42 2HB LYS 6 2HB LYS 6 3.892 -1.555 10.318
43 1HG LYS 6 1HG LYS 6 3.561 -3.815 9.968
44 2HG LYS 6 2HG LYS 6 2.806 -3.564 8.393
45 1HD LYS 6 1HD LYS 6 4.785 -3.974 7.467
46 2HD LYS 6 2HD LYS 6 5.376 -2.480 8.166
47 1HE LYS 6 1HE LYS 6 6.860 -4.250 8.792
48 2HE LYS 6 2HE LYS 6 5.958 -3.746 10.221
49 1HZ LYS 6 1HZ LYS 6 5.465 -5.884 10.474
50 2HZ LYS 6 2HZ LYS 6 6.041 -6.296 8.938
51 3HZ LYS 6 3HZ LYS 6 4.451 -5.751 9.125
52 H HIS 7 H HIS 7 1.246 0.863 8.672
53 HA HIS 7 HA HIS 7 0.789 2.167 11.205
54 1HB HIS 7 1HB HIS 7 3.024 3.138 9.407
55 2HB HIS 7 2HB HIS 7 2.431 3.964 10.845
56 HD1 HIS 7 HD1 HIS 7 2.877 2.714 13.163
57 HD2 HIS 7 HD2 HIS 7 4.914 1.202 9.872
58 HE1 HIS 7 HE1 HIS 7 4.704 1.268 14.109
59 HE2 HIS 7 HE2 HIS 7 5.849 0.275 12.097
60 H ASP 8 H ASP 8 0.472 4.609 10.746
61 HA ASP 8 HA ASP 8 -1.670 4.729 8.821
62 1HB ASP 8 1HB ASP 8 -0.759 6.363 11.118
63 2HB ASP 8 2HB ASP 8 -1.598 7.236 9.838
64 H PHE 9 H PHE 9 -0.558 4.619 6.784
65 HA PHE 9 HA PHE 9 1.451 6.630 6.288
66 1HB PHE 9 1HB PHE 9 1.970 4.757 5.020
67 2HB PHE 9 2HB PHE 9 0.282 4.398 4.694
68 HD1 PHE 9 HD1 PHE 9 -0.032 4.328 2.415
69 HD2 PHE 9 HD2 PHE 9 2.346 7.437 4.059
70 HE1 PHE 9 HE1 PHE 9 0.154 5.324 0.191
71 HE2 PHE 9 HE2 PHE 9 2.532 8.465 1.827
72 HZ PHE 9 HZ PHE 9 1.430 7.410 -0.112
73 H SER 10 H SER 10 1.138 8.564 5.500
74 HA SER 10 HA SER 10 -1.364 9.201 4.069
75 1HB SER 10 1HB SER 10 0.243 11.170 5.733
76 2HB SER 10 2HB SER 10 -1.367 11.404 5.055
77 HG SER 10 HG SER 10 -0.572 9.866 7.268
78 H ALA 11 H ALA 11 -1.142 9.857 2.112
79 HA ALA 11 HA ALA 11 1.155 9.616 0.637
80 1HB ALA 11 1HB ALA 11 -1.339 11.204 0.139
81 2HB ALA 11 2HB ALA 11 -0.934 9.590 -0.442
82 3HB ALA 11 3HB ALA 11 -0.071 10.993 -1.066
83 H THR 12 H THR 12 2.756 10.799 0.003
84 HA THR 12 HA THR 12 2.975 13.535 1.032
85 HB THR 12 HB THR 12 4.970 11.299 0.699
86 HG1 THR 12 HG1 THR 12 4.793 13.232 2.753
87 1HG2 THR 12 1HG2 THR 12 6.491 12.695 -0.182
88 2HG2 THR 12 2HG2 THR 12 6.597 13.314 1.466
89 3HG2 THR 12 3HG2 THR 12 5.601 14.145 0.279
90 H ALA 13 H ALA 13 1.967 12.183 -1.577
91 HA ALA 13 HA ALA 13 2.753 14.412 -3.252
92 1HB ALA 13 1HB ALA 13 4.436 13.180 -4.148
93 2HB ALA 13 2HB ALA 13 3.119 12.459 -5.072
94 3HB ALA 13 3HB ALA 13 3.730 11.651 -3.631
95 H ASP 14 H ASP 14 1.503 14.411 -5.259
96 HA ASP 14 HA ASP 14 -1.226 14.087 -4.723
97 1HB ASP 14 1HB ASP 14 -0.067 14.418 -7.486
98 2HB ASP 14 2HB ASP 14 -1.639 14.951 -6.900
99 H ASP 15 H ASP 15 1.027 12.003 -6.337
100 HA ASP 15 HA ASP 15 -1.095 10.343 -7.415
101 1HB ASP 15 1HB ASP 15 1.772 9.587 -7.640
102 2HB ASP 15 2HB ASP 15 0.468 9.421 -8.808
103 H GLU 16 H GLU 16 -0.274 10.488 -4.441
104 HA GLU 16 HA GLU 16 0.248 7.627 -3.979
105 1HB GLU 16 1HB GLU 16 1.147 10.095 -2.689
106 2HB GLU 16 2HB GLU 16 0.623 8.844 -1.570
107 1HG GLU 16 1HG GLU 16 2.745 8.162 -1.744
108 2HG GLU 16 2HG GLU 16 2.163 7.392 -3.207
109 H LEU 17 H LEU 17 -0.656 6.770 -1.954
110 HA LEU 17 HA LEU 17 -3.429 7.707 -1.599
111 1HB LEU 17 1HB LEU 17 -2.497 5.238 -2.481
112 2HB LEU 17 2HB LEU 17 -2.993 4.952 -0.827
113 HG LEU 17 HG LEU 17 -4.716 6.099 -3.026
114 1HD1 LEU 17 1HD1 LEU 17 -5.891 4.027 -2.986
115 2HD1 LEU 17 2HD1 LEU 17 -4.949 3.459 -1.608
116 3HD1 LEU 17 3HD1 LEU 17 -4.176 3.667 -3.175
117 1HD2 LEU 17 1HD2 LEU 17 -6.463 5.478 -1.124
118 2HD2 LEU 17 2HD2 LEU 17 -5.710 7.066 -1.228
119 3HD2 LEU 17 3HD2 LEU 17 -5.090 5.868 -0.102
120 H SER 18 H SER 18 -3.987 5.962 0.693
121 HA SER 18 HA SER 18 -2.059 6.599 2.719
122 1HB SER 18 1HB SER 18 -3.747 7.776 4.135
123 2HB SER 18 2HB SER 18 -3.276 8.697 2.707
124 HG SER 18 HG SER 18 -5.594 7.066 2.874
125 H PHE 19 H PHE 19 -2.537 5.474 4.716
126 HA PHE 19 HA PHE 19 -4.861 3.812 4.927
127 1HB PHE 19 1HB PHE 19 -3.661 1.643 4.813
128 2HB PHE 19 2HB PHE 19 -3.675 2.499 3.275
129 HD1 PHE 19 HD1 PHE 19 -1.515 2.356 6.327
130 HD2 PHE 19 HD2 PHE 19 -1.729 2.415 2.081
131 HE1 PHE 19 HE1 PHE 19 0.931 2.176 6.211
132 HE2 PHE 19 HE2 PHE 19 0.718 2.231 1.964
133 HZ PHE 19 HZ PHE 19 2.053 2.122 4.022
134 H ARG 20 H ARG 20 -4.738 2.320 6.848
135 HA ARG 20 HA ARG 20 -2.959 3.443 8.909
136 1HB ARG 20 1HB ARG 20 -4.776 3.293 10.519
137 2HB ARG 20 2HB ARG 20 -5.248 4.296 9.153
138 1HG ARG 20 1HG ARG 20 -6.058 1.715 8.472
139 2HG ARG 20 2HG ARG 20 -6.466 1.896 10.180
140 1HD ARG 20 1HD ARG 20 -8.360 2.722 9.153
141 2HD ARG 20 2HD ARG 20 -7.427 4.193 9.427
142 HE ARG 20 HE ARG 20 -7.085 2.903 6.845
143 1HH1 ARG 20 1HH1 ARG 20 -8.672 5.410 8.692
144 2HH1 ARG 20 2HH1 ARG 20 -9.070 6.353 7.296
145 1HH2 ARG 20 1HH2 ARG 20 -7.614 4.145 5.015
146 2HH2 ARG 20 2HH2 ARG 20 -8.472 5.636 5.211
147 H LYS 21 H LYS 21 -2.544 2.079 10.751
148 HA LYS 21 HA LYS 21 -1.685 -0.492 10.119
149 1HB LYS 21 1HB LYS 21 -1.532 -0.799 12.623
150 2HB LYS 21 2HB LYS 21 -0.664 0.573 11.950
151 1HG LYS 21 1HG LYS 21 -3.008 1.753 12.547
152 2HG LYS 21 2HG LYS 21 -2.963 0.501 13.787
153 1HD LYS 21 1HD LYS 21 -0.453 1.995 13.379
154 2HD LYS 21 2HD LYS 21 -1.798 2.923 14.045
155 1HE LYS 21 1HE LYS 21 -2.075 1.140 15.769
156 2HE LYS 21 2HE LYS 21 -0.603 0.389 15.156
157 1HZ LYS 21 1HZ LYS 21 -0.571 2.091 17.147
158 2HZ LYS 21 2HZ LYS 21 -0.478 3.216 15.888
159 3HZ LYS 21 3HZ LYS 21 0.699 2.010 16.032
160 H GLY 22 H GLY 22 -2.567 -2.449 10.125
161 1HA GLY 22 1HA GLY 22 -4.023 -4.134 10.920
162 2HA GLY 22 2HA GLY 22 -5.126 -2.886 11.476
163 H GLN 23 H GLN 23 -4.766 -1.574 8.679
164 HA GLN 23 HA GLN 23 -7.035 -2.924 7.552
165 1HB GLN 23 1HB GLN 23 -6.227 -0.349 7.462
166 2HB GLN 23 2HB GLN 23 -5.644 -0.913 5.903
167 1HG GLN 23 1HG GLN 23 -7.772 -0.076 5.475
168 2HG GLN 23 2HG GLN 23 -7.989 -1.824 5.537
169 1HE2 GLN 23 1HE2 GLN 23 -8.676 1.205 7.042
170 2HE2 GLN 23 2HE2 GLN 23 -9.814 0.614 8.200
171 H ILE 24 H ILE 24 -7.198 -3.620 5.281
172 HA ILE 24 HA ILE 24 -4.678 -4.859 4.407
173 HB ILE 24 HB ILE 24 -6.230 -6.403 3.072
174 1HG1 ILE 24 1HG1 ILE 24 -8.267 -4.950 3.562
175 2HG1 ILE 24 2HG1 ILE 24 -8.466 -6.683 3.777
176 1HG2 ILE 24 1HG2 ILE 24 -6.686 -7.115 5.859
177 2HG2 ILE 24 2HG2 ILE 24 -5.036 -6.601 5.527
178 3HG2 ILE 24 3HG2 ILE 24 -5.743 -7.930 4.613
179 1HD1 ILE 24 1HD1 ILE 24 -7.821 -4.898 6.094
180 2HD1 ILE 24 2HD1 ILE 24 -8.522 -6.506 6.101
181 3HD1 ILE 24 3HD1 ILE 24 -9.470 -5.134 5.530
182 H LEU 25 H LEU 25 -3.758 -3.815 2.827
183 HA LEU 25 HA LEU 25 -5.340 -2.361 0.842
184 1HB LEU 25 1HB LEU 25 -2.341 -2.471 0.990
185 2HB LEU 25 2HB LEU 25 -3.351 -1.224 0.286
186 HG LEU 25 HG LEU 25 -3.559 -1.694 3.220
187 1HD1 LEU 25 1HD1 LEU 25 -1.201 -1.679 3.034
188 2HD1 LEU 25 2HD1 LEU 25 -1.668 -0.043 3.501
189 3HD1 LEU 25 3HD1 LEU 25 -1.232 -0.393 1.828
190 1HD2 LEU 25 1HD2 LEU 25 -4.825 -0.000 1.637
191 2HD2 LEU 25 2HD2 LEU 25 -3.369 0.960 1.895
192 3HD2 LEU 25 3HD2 LEU 25 -4.344 0.449 3.273
193 H LYS 26 H LYS 26 -5.355 -2.891 -1.352
194 HA LYS 26 HA LYS 26 -4.225 -5.499 -2.043
195 1HB LYS 26 1HB LYS 26 -6.614 -4.060 -2.780
196 2HB LYS 26 2HB LYS 26 -5.707 -4.492 -4.222
197 1HG LYS 26 1HG LYS 26 -6.736 -6.455 -4.097
198 2HG LYS 26 2HG LYS 26 -5.647 -6.811 -2.756
199 1HD LYS 26 1HD LYS 26 -7.314 -6.749 -1.266
200 2HD LYS 26 2HD LYS 26 -7.946 -5.238 -1.923
201 1HE LYS 26 1HE LYS 26 -9.700 -6.537 -2.491
202 2HE LYS 26 2HE LYS 26 -8.682 -6.939 -3.873
203 1HZ LYS 26 1HZ LYS 26 -9.752 -8.809 -2.452
204 2HZ LYS 26 2HZ LYS 26 -8.449 -8.526 -1.412
205 3HZ LYS 26 3HZ LYS 26 -8.167 -8.985 -3.016
206 H ILE 27 H ILE 27 -2.391 -5.628 -3.159
207 HA ILE 27 HA ILE 27 -1.274 -3.255 -4.406
208 HB ILE 27 HB ILE 27 -0.198 -6.022 -3.889
209 1HG1 ILE 27 1HG1 ILE 27 1.496 -4.656 -2.605
210 2HG1 ILE 27 2HG1 ILE 27 0.483 -3.251 -2.905
211 1HG2 ILE 27 1HG2 ILE 27 1.845 -5.524 -4.953
212 2HG2 ILE 27 2HG2 ILE 27 1.395 -3.839 -5.208
213 3HG2 ILE 27 3HG2 ILE 27 0.594 -5.115 -6.124
214 1HD1 ILE 27 1HD1 ILE 27 -0.954 -5.524 -1.775
215 2HD1 ILE 27 2HD1 ILE 27 -0.959 -3.821 -1.308
216 3HD1 ILE 27 3HD1 ILE 27 0.329 -4.883 -0.762
217 H LEU 28 H LEU 28 -0.845 -2.998 -6.542
218 HA LEU 28 HA LEU 28 -1.995 -4.952 -8.446
219 1HB LEU 28 1HB LEU 28 -1.956 -2.132 -9.288
220 2HB LEU 28 2HB LEU 28 -3.155 -3.376 -9.569
221 HG LEU 28 HG LEU 28 -3.084 -2.463 -6.787
222 1HD1 LEU 28 1HD1 LEU 28 -2.479 -0.398 -8.190
223 2HD1 LEU 28 2HD1 LEU 28 -3.827 -0.276 -7.059
224 3HD1 LEU 28 3HD1 LEU 28 -4.137 -0.493 -8.782
225 1HD2 LEU 28 1HD2 LEU 28 -5.043 -3.501 -7.059
226 2HD2 LEU 28 2HD2 LEU 28 -4.978 -3.354 -8.815
227 3HD2 LEU 28 3HD2 LEU 28 -5.584 -2.016 -7.840
228 H ASN 29 H ASN 29 0.353 -2.418 -7.825
229 HA ASN 29 HA ASN 29 2.245 -3.680 -9.635
230 1HB ASN 29 1HB ASN 29 2.766 -1.317 -10.569
231 2HB ASN 29 2HB ASN 29 1.473 -2.281 -11.264
232 1HD2 ASN 29 1HD2 ASN 29 1.888 0.580 -11.331
233 2HD2 ASN 29 2HD2 ASN 29 0.477 1.291 -10.631
234 H MET 30 H MET 30 4.359 -3.408 -8.925
235 HA MET 30 HA MET 30 4.688 -2.020 -6.387
236 1HB MET 30 1HB MET 30 6.000 -3.756 -5.910
237 2HB MET 30 2HB MET 30 5.704 -4.401 -7.512
238 1HG MET 30 1HG MET 30 7.680 -3.327 -8.365
239 2HG MET 30 2HG MET 30 7.938 -2.499 -6.831
240 1HE MET 30 1HE MET 30 7.468 -5.658 -8.647
241 2HE MET 30 2HE MET 30 7.373 -6.788 -7.298
242 3HE MET 30 3HE MET 30 8.877 -6.621 -8.204
243 H GLU 31 H GLU 31 4.908 -1.109 -9.490
244 HA GLU 31 HA GLU 31 5.619 0.792 -10.449
245 1HB GLU 31 1HB GLU 31 5.525 1.840 -8.220
246 2HB GLU 31 2HB GLU 31 7.179 1.333 -7.917
247 1HG GLU 31 1HG GLU 31 8.057 2.948 -9.250
248 2HG GLU 31 2HG GLU 31 6.705 2.912 -10.377
249 H ASP 32 H ASP 32 8.509 1.541 -9.468
250 HA ASP 32 HA ASP 32 9.850 -0.288 -11.223
251 1HB ASP 32 1HB ASP 32 10.571 2.588 -10.749
252 2HB ASP 32 2HB ASP 32 11.623 1.442 -11.574
253 H ASP 33 H ASP 33 9.362 -0.338 -8.247
254 HA ASP 33 HA ASP 33 10.372 -1.544 -6.582
255 1HB ASP 33 1HB ASP 33 11.988 -2.318 -8.564
256 2HB ASP 33 2HB ASP 33 13.116 -1.239 -7.759
257 H SER 34 H SER 34 13.432 -0.173 -6.658
258 HA SER 34 HA SER 34 14.431 1.162 -5.121
259 1HB SER 34 1HB SER 34 12.594 2.875 -6.736
260 2HB SER 34 2HB SER 34 13.450 3.612 -5.382
261 HG SER 34 HG SER 34 14.748 2.090 -7.388
262 H ASN 35 H ASN 35 11.520 3.135 -4.669
263 HA ASN 35 HA ASN 35 11.289 2.090 -1.879
264 1HB ASN 35 1HB ASN 35 12.460 4.471 -2.758
265 2HB ASN 35 2HB ASN 35 10.912 4.907 -2.041
266 1HD2 ASN 35 1HD2 ASN 35 12.810 5.902 -0.681
267 2HD2 ASN 35 2HD2 ASN 35 13.215 4.995 0.732
268 H TRP 36 H TRP 36 9.577 3.395 -4.658
269 HA TRP 36 HA TRP 36 7.192 3.665 -2.957
270 1HB TRP 36 1HB TRP 36 7.830 4.830 -5.673
271 2HB TRP 36 2HB TRP 36 6.277 5.011 -4.858
272 HD1 TRP 36 HD1 TRP 36 9.523 6.704 -5.208
273 HE1 TRP 36 HE1 TRP 36 9.811 8.525 -3.411
274 HE3 TRP 36 HE3 TRP 36 5.672 5.412 -2.110
275 HZ2 TRP 36 HZ2 TRP 36 8.569 9.310 -0.999
276 HZ3 TRP 36 HZ3 TRP 36 5.289 6.745 -0.078
277 HH2 TRP 36 HH2 TRP 36 6.708 8.654 0.466
278 H TYR 37 H TYR 37 5.413 2.437 -3.310
279 HA TYR 37 HA TYR 37 5.425 0.605 -5.627
280 1HB TYR 37 1HB TYR 37 4.792 0.142 -2.739
281 2HB TYR 37 2HB TYR 37 3.959 -0.815 -3.951
282 HD1 TYR 37 HD1 TYR 37 4.928 -2.831 -2.935
283 HD2 TYR 37 HD2 TYR 37 7.412 0.181 -4.609
284 HE1 TYR 37 HE1 TYR 37 6.818 -4.401 -2.951
285 HE2 TYR 37 HE2 TYR 37 9.306 -1.374 -4.636
286 HH TYR 37 HH TYR 37 9.477 -4.084 -2.905
287 H ARG 38 H ARG 38 3.117 -0.211 -6.119
288 HA ARG 38 HA ARG 38 1.230 2.021 -5.722
289 1HB ARG 38 1HB ARG 38 1.097 0.226 -8.097
290 2HB ARG 38 2HB ARG 38 0.437 1.838 -7.909
291 1HG ARG 38 1HG ARG 38 3.336 1.778 -7.690
292 2HG ARG 38 2HG ARG 38 2.753 1.154 -9.234
293 1HD ARG 38 1HD ARG 38 1.765 3.742 -8.079
294 2HD ARG 38 2HD ARG 38 3.216 3.661 -9.070
295 HE ARG 38 HE ARG 38 0.466 3.155 -9.950
296 1HH1 ARG 38 1HH1 ARG 38 3.857 3.483 -10.735
297 2HH1 ARG 38 2HH1 ARG 38 3.571 3.638 -12.434
298 1HH2 ARG 38 1HH2 ARG 38 0.100 3.356 -12.188
299 2HH2 ARG 38 2HH2 ARG 38 1.444 3.567 -13.259
300 H ALA 39 H ALA 39 -0.646 1.576 -4.780
301 HA ALA 39 HA ALA 39 -1.746 -1.126 -5.019
302 1HB ALA 39 1HB ALA 39 -1.700 0.202 -2.332
303 2HB ALA 39 2HB ALA 39 -0.393 -0.852 -2.872
304 3HB ALA 39 3HB ALA 39 -2.034 -1.483 -2.729
305 H GLU 40 H GLU 40 -3.987 -1.260 -4.139
306 HA GLU 40 HA GLU 40 -5.470 1.229 -4.695
307 1HB GLU 40 1HB GLU 40 -5.660 -1.196 -6.007
308 2HB GLU 40 2HB GLU 40 -6.976 -1.287 -4.845
309 1HG GLU 40 1HG GLU 40 -7.344 1.194 -5.826
310 2HG GLU 40 2HG GLU 40 -6.676 0.385 -7.237
311 H LEU 41 H LEU 41 -7.019 1.889 -3.238
312 HA LEU 41 HA LEU 41 -7.757 0.118 -1.039
313 1HB LEU 41 1HB LEU 41 -5.996 1.214 0.020
314 2HB LEU 41 2HB LEU 41 -6.286 2.710 -0.831
315 HG LEU 41 HG LEU 41 -8.560 2.257 0.799
316 1HD1 LEU 41 1HD1 LEU 41 -7.578 2.136 3.016
317 2HD1 LEU 41 2HD1 LEU 41 -5.969 1.968 2.315
318 3HD1 LEU 41 3HD1 LEU 41 -7.168 0.695 2.085
319 1HD2 LEU 41 1HD2 LEU 41 -6.764 4.185 1.915
320 2HD2 LEU 41 2HD2 LEU 41 -8.255 4.449 1.011
321 3HD2 LEU 41 3HD2 LEU 41 -6.724 4.295 0.160
322 H ASP 42 H ASP 42 -9.860 0.199 -0.723
323 HA ASP 42 HA ASP 42 -12.052 0.722 -0.959
324 1HB ASP 42 1HB ASP 42 -11.146 2.633 0.542
325 2HB ASP 42 2HB ASP 42 -11.356 3.638 -0.889
326 H GLY 43 H GLY 43 -10.690 0.293 -3.381
327 1HA GLY 43 1HA GLY 43 -11.243 0.390 -5.628
328 2HA GLY 43 2HA GLY 43 -12.563 1.469 -5.206
329 H LYS 44 H LYS 44 -9.506 2.440 -4.062
330 HA LYS 44 HA LYS 44 -9.232 4.396 -6.257
331 1HB LYS 44 1HB LYS 44 -8.756 4.645 -3.287
332 2HB LYS 44 2HB LYS 44 -8.124 5.804 -4.441
333 1HG LYS 44 1HG LYS 44 -10.991 5.230 -3.762
334 2HG LYS 44 2HG LYS 44 -10.093 6.729 -3.564
335 1HD LYS 44 1HD LYS 44 -10.420 5.591 -6.306
336 2HD LYS 44 2HD LYS 44 -11.781 6.414 -5.560
337 1HE LYS 44 1HE LYS 44 -9.090 7.510 -6.298
338 2HE LYS 44 2HE LYS 44 -10.686 8.074 -6.787
339 1HZ LYS 44 1HZ LYS 44 -10.628 9.504 -5.120
340 2HZ LYS 44 2HZ LYS 44 -9.129 8.915 -4.609
341 3HZ LYS 44 3HZ LYS 44 -10.553 8.239 -4.006
342 H GLU 45 H GLU 45 -7.155 4.683 -7.092
343 HA GLU 45 HA GLU 45 -5.120 2.847 -6.020
344 1HB GLU 45 1HB GLU 45 -4.019 2.974 -8.231
345 2HB GLU 45 2HB GLU 45 -5.660 2.357 -8.350
346 1HG GLU 45 1HG GLU 45 -6.459 4.346 -9.293
347 2HG GLU 45 2HG GLU 45 -5.024 5.249 -8.811
348 H GLY 46 H GLY 46 -3.055 3.505 -5.714
349 1HA GLY 46 1HA GLY 46 -2.040 6.108 -6.094
350 2HA GLY 46 2HA GLY 46 -2.780 6.003 -4.503
351 H LEU 47 H LEU 47 -0.006 6.377 -5.305
352 HA LEU 47 HA LEU 47 1.521 4.053 -4.731
353 1HB LEU 47 1HB LEU 47 2.060 6.969 -4.975
354 2HB LEU 47 2HB LEU 47 3.272 5.956 -4.212
355 HG LEU 47 HG LEU 47 2.207 5.109 -6.855
356 1HD1 LEU 47 1HD1 LEU 47 3.863 6.526 -7.999
357 2HD1 LEU 47 2HD1 LEU 47 4.188 7.348 -6.472
358 3HD1 LEU 47 3HD1 LEU 47 2.594 7.469 -7.217
359 1HD2 LEU 47 1HD2 LEU 47 3.973 3.753 -6.805
360 2HD2 LEU 47 2HD2 LEU 47 4.204 4.254 -5.128
361 3HD2 LEU 47 3HD2 LEU 47 5.061 5.084 -6.419
362 H ILE 48 H ILE 48 2.764 3.607 -2.903
363 HA ILE 48 HA ILE 48 2.078 5.015 -0.440
364 HB ILE 48 HB ILE 48 1.407 3.231 0.790
365 1HG1 ILE 48 1HG1 ILE 48 3.407 1.854 0.536
366 2HG1 ILE 48 2HG1 ILE 48 1.953 0.875 0.388
367 1HG2 ILE 48 1HG2 ILE 48 -0.418 3.134 -0.507
368 2HG2 ILE 48 2HG2 ILE 48 0.209 1.536 -0.907
369 3HG2 ILE 48 3HG2 ILE 48 0.505 2.893 -1.990
370 1HD1 ILE 48 1HD1 ILE 48 3.728 0.299 -1.212
371 2HD1 ILE 48 2HD1 ILE 48 3.531 1.887 -1.948
372 3HD1 ILE 48 3HD1 ILE 48 2.198 0.734 -1.969
373 HA PRO 49 HA PRO 49 6.388 4.777 0.146
374 1HB PRO 49 1HB PRO 49 6.670 5.106 2.852
375 2HB PRO 49 2HB PRO 49 6.183 6.421 1.779
376 1HG PRO 49 1HG PRO 49 4.549 4.783 3.628
377 2HG PRO 49 2HG PRO 49 4.319 6.459 3.111
378 1HD PRO 49 1HD PRO 49 2.928 4.228 2.142
379 2HD PRO 49 2HD PRO 49 2.996 5.819 1.398
380 H SER 50 H SER 50 7.562 2.993 -0.093
381 HA SER 50 HA SER 50 6.835 0.439 0.721
382 1HB SER 50 1HB SER 50 8.452 1.074 -1.117
383 2HB SER 50 2HB SER 50 9.683 1.208 0.140
384 HG SER 50 HG SER 50 8.203 -1.120 0.207
385 H ASN 51 H ASN 51 7.319 2.397 2.946
386 HA ASN 51 HA ASN 51 8.969 0.653 4.645
387 1HB ASN 51 1HB ASN 51 9.732 3.139 4.143
388 2HB ASN 51 2HB ASN 51 8.597 3.501 5.439
389 1HD2 ASN 51 1HD2 ASN 51 8.874 2.086 7.415
390 2HD2 ASN 51 2HD2 ASN 51 10.498 1.799 7.932
391 H TYR 52 H TYR 52 5.955 2.258 4.247
392 HA TYR 52 HA TYR 52 5.136 1.717 6.999
393 1HB TYR 52 1HB TYR 52 4.207 3.470 4.820
394 2HB TYR 52 2HB TYR 52 2.950 2.810 5.856
395 HD1 TYR 52 HD1 TYR 52 6.373 3.684 6.980
396 HD2 TYR 52 HD2 TYR 52 2.277 4.819 6.911
397 HE1 TYR 52 HE1 TYR 52 6.831 5.431 8.653
398 HE2 TYR 52 HE2 TYR 52 2.720 6.570 8.574
399 HH TYR 52 HH TYR 52 5.729 6.780 10.259
400 H ILE 53 H ILE 53 5.306 -0.230 4.400
401 HA ILE 53 HA ILE 53 2.720 -1.493 5.042
402 HB ILE 53 HB ILE 53 2.610 -2.324 2.727
403 1HG1 ILE 53 1HG1 ILE 53 4.795 -0.365 2.046
404 2HG1 ILE 53 2HG1 ILE 53 5.149 -2.054 2.399
405 1HG2 ILE 53 1HG2 ILE 53 1.299 -0.569 2.402
406 2HG2 ILE 53 2HG2 ILE 53 2.706 0.404 1.979
407 3HG2 ILE 53 3HG2 ILE 53 2.175 0.309 3.650
408 1HD1 ILE 53 1HD1 ILE 53 3.641 -2.714 0.564
409 2HD1 ILE 53 2HD1 ILE 53 5.003 -1.733 0.024
410 3HD1 ILE 53 3HD1 ILE 53 3.404 -1.008 0.185
411 H GLU 54 H GLU 54 2.611 -3.803 4.495
412 HA GLU 54 HA GLU 54 5.188 -5.205 4.693
413 1HB GLU 54 1HB GLU 54 4.342 -5.048 6.955
414 2HB GLU 54 2HB GLU 54 2.781 -5.659 6.468
415 1HG GLU 54 1HG GLU 54 3.930 -7.400 7.569
416 2HG GLU 54 2HG GLU 54 3.923 -7.789 5.850
417 H MET 55 H MET 55 5.276 -6.445 2.947
418 HA MET 55 HA MET 55 3.165 -7.175 1.308
419 1HB MET 55 1HB MET 55 5.867 -7.399 1.157
420 2HB MET 55 2HB MET 55 5.414 -9.083 1.386
421 1HG MET 55 1HG MET 55 5.413 -8.895 -0.901
422 2HG MET 55 2HG MET 55 3.715 -8.620 -0.515
423 1HE MET 55 1HE MET 55 2.898 -7.729 -2.225
424 2HE MET 55 2HE MET 55 3.674 -6.645 -3.378
425 3HE MET 55 3HE MET 55 2.651 -5.989 -2.102
426 H LYS 56 H LYS 56 1.569 -8.575 1.495
427 HA LYS 56 HA LYS 56 1.805 -10.698 3.511
428 1HB LYS 56 1HB LYS 56 0.093 -8.959 3.929
429 2HB LYS 56 2HB LYS 56 -0.703 -9.398 2.430
430 1HG LYS 56 1HG LYS 56 -1.345 -11.502 3.271
431 2HG LYS 56 2HG LYS 56 -0.252 -11.362 4.648
432 1HD LYS 56 1HD LYS 56 -1.636 -9.327 5.311
433 2HD LYS 56 2HD LYS 56 -2.826 -9.895 4.142
434 1HE LYS 56 1HE LYS 56 -3.334 -10.645 6.422
435 2HE LYS 56 2HE LYS 56 -3.017 -11.998 5.336
436 1HZ LYS 56 1HZ LYS 56 -1.101 -10.844 7.292
437 2HZ LYS 56 2HZ LYS 56 -0.760 -12.114 6.230
438 3HZ LYS 56 3HZ LYS 56 -1.914 -12.320 7.446
439 H ASN 57 H ASN 57 -0.897 -10.870 1.400
440 HA ASN 57 HA ASN 57 -1.476 -12.220 -0.334
441 1HB ASN 57 1HB ASN 57 0.850 -11.566 -1.242
442 2HB ASN 57 2HB ASN 57 1.368 -13.145 -0.658
443 1HD2 ASN 57 1HD2 ASN 57 1.733 -14.109 -2.593
444 2HD2 ASN 57 2HD2 ASN 57 0.504 -14.420 -3.766
445 H HIS 58 H HIS 58 0.959 -13.660 1.877
446 HA HIS 58 HA HIS 58 1.058 -15.591 2.935
447 1HB HIS 58 1HB HIS 58 -0.924 -14.599 3.960
448 2HB HIS 58 2HB HIS 58 -1.947 -15.413 2.785
449 HD1 HIS 58 HD1 HIS 58 0.941 -17.090 4.537
450 HD2 HIS 58 HD2 HIS 58 -3.214 -17.065 4.594
451 HE1 HIS 58 HE1 HIS 58 0.276 -19.010 6.022
452 HE2 HIS 58 HE2 HIS 58 -2.243 -18.985 6.031
453 H ASP 59 H ASP 59 -1.858 -17.038 1.854
454 HA ASP 59 HA ASP 59 -2.299 -18.880 0.603
455 1HB ASP 59 1HB ASP 59 -0.893 -17.181 -1.072
456 2HB ASP 59 2HB ASP 59 -0.025 -18.704 -1.224