NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
21654 |
2hug   |
7241 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 9.121 2.585 -6.701
2 H2 GLY 1 2H GLY 1 8.932 4.250 -6.472
3 H3 GLY 1 3H GLY 1 9.137 3.231 -5.138
4 HA2 GLY 1 1HA GLY 1 11.378 2.725 -5.763
5 HA3 GLY 1 2HA GLY 1 11.175 3.623 -7.259
6 H SER 2 HN SER 2 9.948 4.676 -4.136
7 HA SER 2 HA SER 2 12.056 6.263 -3.277
8 HG SER 2 HG SER 2 9.961 8.467 -5.964
9 HB2 SER 2 2HB SER 2 11.355 8.512 -4.028
10 HB3 SER 2 1HB SER 2 11.861 7.487 -5.369
11 H GLN 3 HN GLN 3 8.589 5.920 -3.615
12 HA GLN 3 HA GLN 3 8.067 7.328 -1.152
13 HB2 GLN 3 2HB GLN 3 5.778 7.080 -1.687
14 HB3 GLN 3 1HB GLN 3 6.590 7.323 -3.227
15 HG2 GLN 3 2HG GLN 3 5.934 4.585 -2.197
16 HG3 GLN 3 1HG GLN 3 4.791 5.542 -3.136
17 HE21 GLN 3 2HE2 GLN 3 7.012 3.242 -5.209
18 HE22 GLN 3 1HE2 GLN 3 6.245 2.994 -3.682
19 H VAL 4 HN VAL 4 7.611 6.404 0.794
20 HA VAL 4 HA VAL 4 8.284 3.586 1.041
21 HB VAL 4 HB VAL 4 7.624 5.297 3.398
22 HG11 VAL 4 1HG1 VAL 4 8.095 2.886 3.641
23 HG12 VAL 4 2HG1 VAL 4 9.249 3.903 4.504
24 HG13 VAL 4 3HG1 VAL 4 9.702 3.159 2.970
25 HG21 VAL 4 3HG2 VAL 4 10.029 5.997 3.466
26 HG22 VAL 4 1HG2 VAL 4 9.075 6.759 2.193
27 HG23 VAL 4 2HG2 VAL 4 10.173 5.437 1.800
28 H PHE 5 HN PHE 5 5.884 3.809 -0.211
29 HA PHE 5 HA PHE 5 4.226 2.148 1.237
30 HD1 PHE 5 HD1 PHE 5 4.869 5.581 3.526
31 HD2 PHE 5 HD2 PHE 5 2.591 5.726 -0.065
32 HE1 PHE 5 HE1 PHE 5 5.341 7.988 3.329
33 HE2 PHE 5 HE2 PHE 5 3.056 8.133 -0.270
34 HZ PHE 5 HZ PHE 5 4.435 9.266 1.429
35 HB2 PHE 5 2HB PHE 5 2.361 3.877 1.728
36 HB3 PHE 5 1HB PHE 5 3.688 3.712 2.860
37 H GLU 6 HN GLU 6 2.237 1.670 0.189
38 HA GLU 6 HA GLU 6 1.731 3.047 -2.357
39 HB2 GLU 6 2HB GLU 6 2.528 0.260 -1.946
40 HB3 GLU 6 1HB GLU 6 1.083 0.441 -2.928
41 HG2 GLU 6 2HG GLU 6 3.230 0.363 -4.197
42 HG3 GLU 6 1HG GLU 6 2.212 1.768 -4.518
43 H TYR 7 HN TYR 7 -0.386 3.196 -2.983
44 HA TYR 7 HA TYR 7 -2.377 2.597 -0.957
45 HD1 TYR 7 HD1 TYR 7 -0.820 5.656 -3.408
46 HD2 TYR 7 HD2 TYR 7 -3.896 3.077 -4.814
47 HE1 TYR 7 HE1 TYR 7 -0.210 6.201 -5.726
48 HE2 TYR 7 HE2 TYR 7 -3.297 3.616 -7.137
49 HH TYR 7 HH TYR 7 -0.421 5.285 -7.951
50 HB2 TYR 7 2HB TYR 7 -3.836 3.937 -2.441
51 HB3 TYR 7 1HB TYR 7 -2.422 4.803 -1.896
52 H ALA 8 HN ALA 8 -3.570 0.854 -0.982
53 HA ALA 8 HA ALA 8 -3.882 -0.586 -3.531
54 HB1 ALA 8 3HB ALA 8 -3.871 -2.551 -2.398
55 HB2 ALA 8 1HB ALA 8 -4.635 -1.868 -0.967
56 HB3 ALA 8 2HB ALA 8 -2.918 -1.598 -1.264
57 H GLU 9 HN GLU 9 -5.508 1.515 -3.508
58 HA GLU 9 HA GLU 9 -8.069 0.534 -2.502
59 HB2 GLU 9 2HB GLU 9 -8.879 2.680 -2.351
60 HB3 GLU 9 1HB GLU 9 -7.228 2.818 -1.796
61 HG2 GLU 9 2HG GLU 9 -8.353 3.622 -4.459
62 HG3 GLU 9 1HG GLU 9 -7.761 4.683 -3.190
63 H VAL 10 HN VAL 10 -9.941 1.509 -3.753
64 HA VAL 10 HA VAL 10 -9.571 0.577 -6.453
65 HB VAL 10 HB VAL 10 -12.072 0.760 -4.865
66 HG11 VAL 10 1HG1 VAL 10 -11.789 -0.810 -7.387
67 HG12 VAL 10 2HG1 VAL 10 -12.136 0.915 -7.465
68 HG13 VAL 10 3HG1 VAL 10 -13.249 -0.168 -6.633
69 HG21 VAL 10 3HG2 VAL 10 -10.913 -0.948 -3.857
70 HG22 VAL 10 1HG2 VAL 10 -10.119 -1.425 -5.358
71 HG23 VAL 10 2HG2 VAL 10 -11.815 -1.818 -5.100
72 H ASP 11 HN ASP 11 -10.426 3.310 -4.611
73 HA ASP 11 HA ASP 11 -10.481 4.927 -7.009
74 HB2 ASP 11 2HB ASP 11 -12.790 4.581 -6.965
75 HB3 ASP 11 1HB ASP 11 -12.879 4.614 -5.212
76 H GLU 12 HN GLU 12 -10.580 4.779 -3.475
77 HA GLU 12 HA GLU 12 -8.768 7.041 -3.362
78 HB2 GLU 12 2HB GLU 12 -11.532 7.171 -2.170
79 HB3 GLU 12 1HB GLU 12 -10.222 8.232 -1.671
80 HG2 GLU 12 2HG GLU 12 -10.044 9.064 -3.974
81 HG3 GLU 12 1HG GLU 12 -11.391 8.025 -4.437
82 H ILE 13 HN ILE 13 -7.974 7.477 -1.155
83 HA ILE 13 HA ILE 13 -8.219 5.168 0.663
84 HB ILE 13 HB ILE 13 -5.799 5.224 1.137
85 HG12 ILE 13 2HG1 ILE 13 -5.597 7.708 0.597
86 HG13 ILE 13 1HG1 ILE 13 -4.292 6.701 -0.013
87 HG21 ILE 13 1HG2 ILE 13 -6.891 4.671 -1.508
88 HG22 ILE 13 2HG2 ILE 13 -5.885 3.672 -0.461
89 HG23 ILE 13 3HG2 ILE 13 -5.150 4.904 -1.485
90 HD11 ILE 13 3HD1 ILE 13 -6.064 8.427 -1.438
91 HD12 ILE 13 1HD1 ILE 13 -6.223 6.776 -2.041
92 HD13 ILE 13 2HD1 ILE 13 -4.642 7.560 -2.018
93 H VAL 14 HN VAL 14 -6.577 6.072 2.697
94 HA VAL 14 HA VAL 14 -7.252 8.832 3.291
95 HB VAL 14 HB VAL 14 -8.300 6.558 4.984
96 HG11 VAL 14 1HG1 VAL 14 -9.130 8.293 6.518
97 HG12 VAL 14 2HG1 VAL 14 -8.277 9.518 5.580
98 HG13 VAL 14 3HG1 VAL 14 -7.369 8.273 6.438
99 HG21 VAL 14 3HG2 VAL 14 -10.473 7.490 4.545
100 HG22 VAL 14 1HG2 VAL 14 -9.652 7.225 3.009
101 HG23 VAL 14 2HG2 VAL 14 -9.760 8.851 3.678
102 H GLU 15 HN GLU 15 -5.945 5.814 4.620
103 HA GLU 15 HA GLU 15 -3.943 7.359 6.101
104 HB2 GLU 15 2HB GLU 15 -5.155 5.667 7.375
105 HB3 GLU 15 1HB GLU 15 -4.670 4.427 6.226
106 HG2 GLU 15 2HG GLU 15 -2.365 4.661 6.872
107 HG3 GLU 15 1HG GLU 15 -2.766 6.015 7.929
108 H LYS 16 HN LYS 16 -1.722 7.033 5.812
109 HA LYS 16 HA LYS 16 -0.834 5.170 3.780
110 HB2 LYS 16 2HB LYS 16 0.386 7.029 2.548
111 HB3 LYS 16 1HB LYS 16 -1.358 6.962 2.328
112 HG2 LYS 16 2HG LYS 16 -1.643 8.767 3.932
113 HG3 LYS 16 1HG LYS 16 0.102 8.820 4.194
114 HD2 LYS 16 2HD LYS 16 0.495 9.548 1.960
115 HD3 LYS 16 1HD LYS 16 -1.180 9.236 1.499
116 HE2 LYS 16 2HE LYS 16 -0.304 11.283 3.532
117 HE3 LYS 16 1HE LYS 16 -0.686 11.640 1.849
118 HZ1 LYS 16 3HZ LYS 16 -2.565 10.495 3.845
119 HZ2 LYS 16 1HZ LYS 16 -2.933 10.830 2.229
120 HZ3 LYS 16 2HZ LYS 16 -2.565 12.093 3.292
121 H ARG 17 HN ARG 17 0.473 4.211 5.427
122 HA ARG 17 HA ARG 17 2.965 5.600 5.923
123 HE ARG 17 HE ARG 17 2.045 7.444 9.669
124 HB2 ARG 17 2HB ARG 17 1.581 6.424 7.769
125 HB3 ARG 17 1HB ARG 17 1.205 4.773 8.236
126 HG2 ARG 17 2HG ARG 17 3.692 4.442 8.567
127 HG3 ARG 17 1HG ARG 17 3.842 6.194 8.412
128 HD2 ARG 17 2HD ARG 17 2.078 4.790 10.412
129 HD3 ARG 17 1HD ARG 17 3.690 5.414 10.762
130 HH11 ARG 17 1HH1 ARG 17 2.599 5.625 12.587
131 HH12 ARG 17 2HH1 ARG 17 2.005 6.872 13.631
132 HH21 ARG 17 2HH2 ARG 17 1.243 8.844 12.748
133 HH22 ARG 17 1HH2 ARG 17 1.261 9.092 11.035
134 H GLY 18 HN GLY 18 3.883 3.808 4.733
135 HA2 GLY 18 2HA GLY 18 4.205 1.460 6.418
136 HA3 GLY 18 1HA GLY 18 3.419 1.189 4.885
137 H LYS 19 HN LYS 19 4.803 -0.012 3.842
138 HA LYS 19 HA LYS 19 7.573 0.903 3.541
139 HB2 LYS 19 2HB LYS 19 6.313 -1.816 3.556
140 HB3 LYS 19 1HB LYS 19 7.989 -1.547 3.081
141 HG2 LYS 19 2HG LYS 19 8.461 -0.621 5.295
142 HG3 LYS 19 1HG LYS 19 6.786 -0.927 5.769
143 HD2 LYS 19 2HD LYS 19 7.092 -3.296 5.383
144 HD3 LYS 19 1HD LYS 19 8.750 -3.014 4.853
145 HE2 LYS 19 2HE LYS 19 7.666 -2.379 7.598
146 HE3 LYS 19 1HE LYS 19 8.612 -3.807 7.195
147 HZ1 LYS 19 3HZ LYS 19 10.453 -2.368 6.570
148 HZ2 LYS 19 1HZ LYS 19 9.991 -2.091 8.175
149 HZ3 LYS 19 2HZ LYS 19 9.543 -0.997 6.965
150 H GLY 20 HN GLY 20 7.096 -1.603 1.429
151 HA2 GLY 20 2HA GLY 20 6.736 0.220 -0.799
152 HA3 GLY 20 1HA GLY 20 7.235 -1.469 -0.891
153 H LYS 21 HN LYS 21 5.474 -2.631 0.676
154 HA LYS 21 HA LYS 21 2.797 -2.000 -0.297
155 HB2 LYS 21 2HB LYS 21 4.143 -4.693 -0.513
156 HB3 LYS 21 1HB LYS 21 2.426 -4.421 -0.774
157 HG2 LYS 21 2HG LYS 21 3.101 -4.286 -2.928
158 HG3 LYS 21 1HG LYS 21 3.397 -2.610 -2.473
159 HD2 LYS 21 2HD LYS 21 5.725 -3.049 -2.121
160 HD3 LYS 21 1HD LYS 21 5.478 -4.785 -2.330
161 HE2 LYS 21 2HE LYS 21 6.452 -3.701 -4.326
162 HE3 LYS 21 1HE LYS 21 4.897 -4.468 -4.647
163 HZ1 LYS 21 3HZ LYS 21 5.061 -2.279 -5.674
164 HZ2 LYS 21 1HZ LYS 21 5.312 -1.567 -4.159
165 HZ3 LYS 21 2HZ LYS 21 3.834 -2.311 -4.510
166 H ASP 22 HN ASP 22 4.629 -2.300 2.342
167 HA ASP 22 HA ASP 22 2.927 -3.966 3.924
168 HB2 ASP 22 2HB ASP 22 5.488 -3.774 4.202
169 HB3 ASP 22 1HB ASP 22 5.138 -2.249 4.993
170 H VAL 23 HN VAL 23 2.435 -1.109 2.752
171 HA VAL 23 HA VAL 23 1.735 0.308 5.141
172 HB VAL 23 HB VAL 23 2.697 1.327 3.034
173 HG11 VAL 23 1HG1 VAL 23 0.914 2.114 1.427
174 HG12 VAL 23 2HG1 VAL 23 -0.165 0.925 2.142
175 HG13 VAL 23 3HG1 VAL 23 1.309 0.399 1.330
176 HG21 VAL 23 3HG2 VAL 23 1.201 2.327 5.048
177 HG22 VAL 23 1HG2 VAL 23 0.272 2.859 3.654
178 HG23 VAL 23 2HG2 VAL 23 1.972 3.309 3.802
179 H GLU 24 HN GLU 24 -0.334 0.994 5.649
180 HA GLU 24 HA GLU 24 -2.427 -0.760 4.568
181 HB2 GLU 24 2HB GLU 24 -3.594 -0.190 6.802
182 HB3 GLU 24 1HB GLU 24 -2.287 -1.363 6.803
183 HG2 GLU 24 2HG GLU 24 -0.739 0.387 7.558
184 HG3 GLU 24 1HG GLU 24 -2.077 1.532 7.594
185 H TYR 25 HN TYR 25 -3.165 0.614 2.964
186 HA TYR 25 HA TYR 25 -3.871 3.349 3.567
187 HD1 TYR 25 HD1 TYR 25 -3.786 4.877 0.042
188 HD2 TYR 25 HD2 TYR 25 -1.338 2.431 2.492
189 HE1 TYR 25 HE1 TYR 25 -1.887 6.387 -0.367
190 HE2 TYR 25 HE2 TYR 25 0.561 3.924 2.086
191 HH TYR 25 HH TYR 25 0.229 6.992 0.612
192 HB2 TYR 25 2HB TYR 25 -3.635 1.670 1.124
193 HB3 TYR 25 1HB TYR 25 -4.730 3.044 1.058
194 H LEU 26 HN LEU 26 -6.156 3.698 2.103
195 HA LEU 26 HA LEU 26 -8.113 1.832 3.231
196 HG LEU 26 HG LEU 26 -10.537 3.499 2.678
197 HB2 LEU 26 2HB LEU 26 -8.170 3.952 4.489
198 HB3 LEU 26 1HB LEU 26 -8.386 4.836 2.989
199 HD11 LEU 26 1HD1 LEU 26 -9.752 1.906 4.574
200 HD12 LEU 26 2HD1 LEU 26 -11.457 2.278 4.369
201 HD13 LEU 26 3HD1 LEU 26 -10.519 3.095 5.621
202 HD21 LEU 26 3HD2 LEU 26 -10.845 5.738 3.187
203 HD22 LEU 26 1HD2 LEU 26 -10.128 5.577 4.790
204 HD23 LEU 26 2HD2 LEU 26 -11.730 4.915 4.470
205 H VAL 27 HN VAL 27 -10.162 1.774 1.939
206 HA VAL 27 HA VAL 27 -9.720 2.754 -0.752
207 HB VAL 27 HB VAL 27 -9.704 0.863 -1.858
208 HG11 VAL 27 1HG1 VAL 27 -8.422 -0.905 -0.727
209 HG12 VAL 27 2HG1 VAL 27 -8.765 -0.135 0.821
210 HG13 VAL 27 3HG1 VAL 27 -7.799 0.709 -0.389
211 HG21 VAL 27 3HG2 VAL 27 -11.935 0.084 -1.170
212 HG22 VAL 27 1HG2 VAL 27 -11.227 -0.621 0.283
213 HG23 VAL 27 2HG2 VAL 27 -10.784 -1.242 -1.308
214 H ARG 28 HN ARG 28 -11.299 4.030 -1.169
215 HA ARG 28 HA ARG 28 -13.990 3.425 -0.268
216 HE ARG 28 HE ARG 28 -11.294 7.985 0.750
217 HB2 ARG 28 2HB ARG 28 -13.325 5.566 -2.244
218 HB3 ARG 28 1HB ARG 28 -14.594 5.556 -1.029
219 HG2 ARG 28 2HG ARG 28 -12.781 5.729 0.709
220 HG3 ARG 28 1HG ARG 28 -11.655 6.027 -0.613
221 HD2 ARG 28 2HD ARG 28 -13.092 7.942 -1.311
222 HD3 ARG 28 1HD ARG 28 -14.059 7.682 0.139
223 HH11 ARG 28 1HH1 ARG 28 -14.192 9.740 -0.053
224 HH12 ARG 28 2HH1 ARG 28 -13.681 11.199 0.729
225 HH21 ARG 28 2HH2 ARG 28 -11.644 11.289 1.773
226 HH22 ARG 28 1HH2 ARG 28 -10.611 9.898 1.784
227 H TRP 29 HN TRP 29 -13.861 1.407 -1.297
228 HA TRP 29 HA TRP 29 -13.414 0.468 -3.677
229 HD1 TRP 29 HD1 TRP 29 -13.550 -1.043 -4.944
230 HE1 TRP 29 HE1 TRP 29 -13.942 -3.464 -5.729
231 HE3 TRP 29 HE3 TRP 29 -17.184 -2.396 -1.615
232 HZ2 TRP 29 HZ2 TRP 29 -15.578 -5.658 -5.027
233 HZ3 TRP 29 HZ3 TRP 29 -18.109 -4.672 -1.737
234 HH2 TRP 29 HH2 TRP 29 -17.322 -6.270 -3.409
235 HB2 TRP 29 2HB TRP 29 -14.908 -0.409 -1.703
236 HB3 TRP 29 1HB TRP 29 -16.231 0.085 -2.749
237 H LYS 30 HN LYS 30 -13.303 2.047 -5.212
238 HA LYS 30 HA LYS 30 -14.809 3.884 -6.289
239 HB2 LYS 30 2HB LYS 30 -12.871 2.715 -7.408
240 HB3 LYS 30 1HB LYS 30 -14.032 1.568 -8.058
241 HG2 LYS 30 2HG LYS 30 -15.153 3.318 -9.272
242 HG3 LYS 30 1HG LYS 30 -14.109 4.538 -8.541
243 HD2 LYS 30 2HD LYS 30 -12.160 3.450 -9.603
244 HD3 LYS 30 1HD LYS 30 -13.256 2.315 -10.393
245 HE2 LYS 30 2HE LYS 30 -14.353 4.161 -11.546
246 HE3 LYS 30 1HE LYS 30 -13.295 5.313 -10.732
247 HZ1 LYS 30 3HZ LYS 30 -12.412 3.189 -12.613
248 HZ2 LYS 30 1HZ LYS 30 -11.401 4.303 -11.838
249 HZ3 LYS 30 2HZ LYS 30 -12.535 4.837 -12.974
250 H ASP 31 HN ASP 31 -15.789 0.495 -6.423
251 HA ASP 31 HA ASP 31 -18.460 1.350 -7.329
252 HB2 ASP 31 2HB ASP 31 -18.722 -0.866 -8.360
253 HB3 ASP 31 1HB ASP 31 -17.327 -0.023 -9.028
254 H GLY 32 HN GLY 32 -18.214 1.636 -4.780
255 HA2 GLY 32 2HA GLY 32 -19.676 -0.612 -3.615
256 HA3 GLY 32 1HA GLY 32 -18.166 -0.140 -2.837
257 H GLY 33 HN GLY 33 -20.053 -0.001 -1.142
258 HA2 GLY 33 2HA GLY 33 -21.039 2.782 -1.157
259 HA3 GLY 33 1HA GLY 33 -21.865 1.453 -0.357
260 H ASP 34 HN ASP 34 -18.914 0.619 0.386
261 HA ASP 34 HA ASP 34 -18.643 2.492 2.640
262 HB2 ASP 34 2HB ASP 34 -19.635 0.437 3.476
263 HB3 ASP 34 1HB ASP 34 -18.375 -0.521 2.706
264 H CYS 35 HN CYS 35 -16.469 2.466 3.634
265 HA CYS 35 HA CYS 35 -14.394 1.947 1.604
266 HG CYS 35 HG CYS 35 -16.288 4.395 1.415
267 HB2 CYS 35 2HB CYS 35 -14.400 4.076 3.755
268 HB3 CYS 35 1HB CYS 35 -13.150 3.833 2.541
269 H GLU 36 HN GLU 36 -13.045 0.357 2.138
270 HA GLU 36 HA GLU 36 -12.676 -0.254 4.988
271 HB2 GLU 36 2HB GLU 36 -12.571 -1.960 2.527
272 HB3 GLU 36 1HB GLU 36 -11.773 -2.458 4.012
273 HG2 GLU 36 2HG GLU 36 -13.866 -2.429 5.202
274 HG3 GLU 36 1HG GLU 36 -14.697 -1.780 3.790
275 H TRP 37 HN TRP 37 -10.572 -1.142 5.588
276 HA TRP 37 HA TRP 37 -8.437 0.528 4.582
277 HD1 TRP 37 HD1 TRP 37 -8.318 2.304 5.737
278 HE1 TRP 37 HE1 TRP 37 -9.059 3.886 7.629
279 HE3 TRP 37 HE3 TRP 37 -9.062 -1.152 9.425
280 HZ2 TRP 37 HZ2 TRP 37 -9.851 3.688 10.332
281 HZ3 TRP 37 HZ3 TRP 37 -9.810 -0.375 11.637
282 HH2 TRP 37 HH2 TRP 37 -10.195 1.995 12.079
283 HB2 TRP 37 2HB TRP 37 -8.710 -1.314 6.946
284 HB3 TRP 37 1HB TRP 37 -7.168 -0.589 6.504
285 H VAL 38 HN VAL 38 -6.499 -0.147 3.803
286 HA VAL 38 HA VAL 38 -6.482 -2.711 2.460
287 HB VAL 38 HB VAL 38 -4.656 -0.321 2.382
288 HG11 VAL 38 1HG1 VAL 38 -3.244 -2.293 2.142
289 HG12 VAL 38 2HG1 VAL 38 -3.368 -1.416 0.620
290 HG13 VAL 38 3HG1 VAL 38 -4.295 -2.897 0.860
291 HG21 VAL 38 3HG2 VAL 38 -5.384 -0.286 -0.007
292 HG22 VAL 38 1HG2 VAL 38 -6.659 0.027 1.171
293 HG23 VAL 38 2HG2 VAL 38 -6.542 -1.555 0.400
294 H LYS 39 HN LYS 39 -4.512 -4.073 2.546
295 HA LYS 39 HA LYS 39 -3.846 -4.553 5.293
296 HB2 LYS 39 2HB LYS 39 -4.358 -6.439 3.853
297 HB3 LYS 39 1HB LYS 39 -3.034 -6.008 2.779
298 HG2 LYS 39 2HG LYS 39 -1.436 -6.462 4.580
299 HG3 LYS 39 1HG LYS 39 -2.773 -6.921 5.637
300 HD2 LYS 39 2HD LYS 39 -3.369 -8.725 4.091
301 HD3 LYS 39 1HD LYS 39 -2.031 -8.262 3.038
302 HE2 LYS 39 2HE LYS 39 -0.451 -8.745 4.853
303 HE3 LYS 39 1HE LYS 39 -1.795 -9.232 5.885
304 HZ1 LYS 39 3HZ LYS 39 -2.307 -10.998 4.304
305 HZ2 LYS 39 1HZ LYS 39 -0.730 -11.148 4.897
306 HZ3 LYS 39 2HZ LYS 39 -0.994 -10.540 3.342
307 H GLY 40 HN GLY 40 -2.398 -3.325 6.222
308 HA2 GLY 40 2HA GLY 40 0.026 -2.605 4.754
309 HA3 GLY 40 1HA GLY 40 -0.521 -1.850 6.242
310 H VAL 41 HN VAL 41 -0.232 -5.270 5.528
311 HA VAL 41 HA VAL 41 1.856 -5.475 7.596
312 HB VAL 41 HB VAL 41 0.354 -7.878 6.692
313 HG11 VAL 41 1HG1 VAL 41 0.678 -8.519 9.062
314 HG12 VAL 41 2HG1 VAL 41 1.516 -6.989 9.323
315 HG13 VAL 41 3HG1 VAL 41 2.185 -8.181 8.210
316 HG21 VAL 41 3HG2 VAL 41 -0.770 -5.896 8.674
317 HG22 VAL 41 1HG2 VAL 41 -1.420 -7.503 8.347
318 HG23 VAL 41 2HG2 VAL 41 -1.442 -6.269 7.087
319 H HIS 42 HN HIS 42 1.473 -5.388 4.330
320 HA HIS 42 HA HIS 42 3.067 -7.670 3.653
321 HD1 HIS 42 HD1 HIS 42 -0.189 -7.601 1.892
322 HD2 HIS 42 HD2 HIS 42 3.622 -8.637 0.600
323 HE1 HIS 42 HE1 HIS 42 -0.455 -9.803 0.707
324 HE2 HIS 42 HE2 HIS 42 1.853 -10.379 -0.119
325 HB2 HIS 42 2HB HIS 42 1.476 -5.757 2.223
326 HB3 HIS 42 1HB HIS 42 3.056 -5.934 1.456
327 H VAL 43 HN VAL 43 4.682 -7.310 5.075
328 HA VAL 43 HA VAL 43 6.449 -5.180 5.101
329 HB VAL 43 HB VAL 43 6.477 -6.819 6.851
330 HG11 VAL 43 1HG1 VAL 43 7.626 -8.794 4.887
331 HG12 VAL 43 2HG1 VAL 43 5.937 -8.763 5.385
332 HG13 VAL 43 3HG1 VAL 43 7.200 -9.080 6.574
333 HG21 VAL 43 3HG2 VAL 43 8.880 -7.217 7.071
334 HG22 VAL 43 1HG2 VAL 43 8.550 -5.591 6.479
335 HG23 VAL 43 2HG2 VAL 43 9.101 -6.837 5.363
336 H ALA 44 HN ALA 44 6.556 -4.661 2.854
337 HA ALA 44 HA ALA 44 8.392 -6.275 1.284
338 HB1 ALA 44 3HB ALA 44 6.283 -5.174 0.334
339 HB2 ALA 44 1HB ALA 44 7.779 -4.975 -0.576
340 HB3 ALA 44 2HB ALA 44 7.181 -3.659 0.433
341 H GLU 45 HN GLU 45 9.618 -5.484 3.455
342 HA GLU 45 HA GLU 45 10.793 -3.010 3.671
343 HB2 GLU 45 2HB GLU 45 11.098 -4.764 5.344
344 HB3 GLU 45 1HB GLU 45 12.053 -5.708 4.209
345 HG2 GLU 45 2HG GLU 45 13.765 -3.976 4.191
346 HG3 GLU 45 1HG GLU 45 12.803 -3.009 5.309
347 H ASP 46 HN ASP 46 11.385 -5.530 1.386
348 HA ASP 46 HA ASP 46 13.879 -4.491 0.410
349 HB2 ASP 46 2HB ASP 46 13.196 -6.879 0.165
350 HB3 ASP 46 1HB ASP 46 11.941 -6.368 -0.959
351 H VAL 47 HN VAL 47 10.489 -4.308 -0.592
352 HA VAL 47 HA VAL 47 10.952 -2.800 -2.935
353 HB VAL 47 HB VAL 47 8.499 -2.884 -1.159
354 HG11 VAL 47 1HG1 VAL 47 8.659 -0.884 -2.663
355 HG12 VAL 47 2HG1 VAL 47 7.271 -1.927 -2.969
356 HG13 VAL 47 3HG1 VAL 47 8.676 -1.995 -4.032
357 HG21 VAL 47 3HG2 VAL 47 7.635 -4.467 -2.812
358 HG22 VAL 47 1HG2 VAL 47 9.116 -5.066 -2.064
359 HG23 VAL 47 2HG2 VAL 47 9.161 -4.387 -3.691
360 H ALA 48 HN ALA 48 10.160 -1.905 0.328
361 HA ALA 48 HA ALA 48 10.103 0.888 0.149
362 HB1 ALA 48 3HB ALA 48 9.024 -0.303 1.955
363 HB2 ALA 48 1HB ALA 48 10.218 0.830 2.588
364 HB3 ALA 48 2HB ALA 48 10.587 -0.895 2.522
365 H LYS 49 HN LYS 49 12.578 -1.314 1.496
366 HA LYS 49 HA LYS 49 14.499 0.677 1.993
367 HB2 LYS 49 2HB LYS 49 14.570 -1.633 2.927
368 HB3 LYS 49 1HB LYS 49 14.993 -2.235 1.330
369 HG2 LYS 49 2HG LYS 49 17.030 -0.818 1.399
370 HG3 LYS 49 1HG LYS 49 16.620 -0.389 3.060
371 HD2 LYS 49 2HD LYS 49 17.196 -3.159 2.011
372 HD3 LYS 49 1HD LYS 49 18.248 -2.186 3.040
373 HE2 LYS 49 2HE LYS 49 15.508 -3.210 3.779
374 HE3 LYS 49 1HE LYS 49 17.043 -3.883 4.328
375 HZ1 LYS 49 3HZ LYS 49 16.056 -1.139 4.896
376 HZ2 LYS 49 1HZ LYS 49 17.530 -1.782 5.420
377 HZ3 LYS 49 2HZ LYS 49 16.075 -2.428 5.990
378 H ASP 50 HN ASP 50 13.665 -1.162 -0.834
379 HA ASP 50 HA ASP 50 15.892 -0.082 -2.364
380 HB2 ASP 50 2HB ASP 50 14.992 -2.505 -2.519
381 HB3 ASP 50 1HB ASP 50 13.683 -1.802 -3.467
382 H TYR 51 HN TYR 51 12.723 0.782 -1.566
383 HA TYR 51 HA TYR 51 12.091 2.056 -4.021
384 HD1 TYR 51 HD1 TYR 51 11.218 0.500 -4.596
385 HD2 TYR 51 HD2 TYR 51 7.961 2.142 -2.392
386 HE1 TYR 51 HE1 TYR 51 9.640 -0.613 -6.105
387 HE2 TYR 51 HE2 TYR 51 6.380 1.025 -3.903
388 HH TYR 51 HH TYR 51 6.342 0.134 -6.201
389 HB2 TYR 51 2HB TYR 51 10.704 1.590 -1.530
390 HB3 TYR 51 1HB TYR 51 10.310 3.118 -2.277
391 H GLU 52 HN GLU 52 12.410 3.191 -0.697
392 HA GLU 52 HA GLU 52 12.986 5.875 -1.608
393 HB2 GLU 52 2HB GLU 52 12.727 6.565 0.654
394 HB3 GLU 52 1HB GLU 52 11.464 5.384 0.341
395 HG2 GLU 52 2HG GLU 52 12.791 3.666 1.464
396 HG3 GLU 52 1HG GLU 52 14.057 4.851 1.776
397 H ASP 53 HN ASP 53 14.549 3.338 0.288
398 HA ASP 53 HA ASP 53 17.020 4.796 0.507
399 HB2 ASP 53 2HB ASP 53 15.913 2.253 1.527
400 HB3 ASP 53 1HB ASP 53 17.663 2.296 1.311
401 H GLY 54 HN GLY 54 15.633 2.537 -1.703
402 HA2 GLY 54 2HA GLY 54 18.028 1.434 -2.751
403 HA3 GLY 54 1HA GLY 54 16.474 1.477 -3.567
404 H LEU 55 HN LEU 55 16.064 4.221 -3.728
405 HA LEU 55 HA LEU 55 17.819 4.870 -5.914
406 HG LEU 55 HG LEU 55 14.421 5.988 -6.870
407 HB2 LEU 55 2HB LEU 55 15.422 6.181 -4.674
408 HB3 LEU 55 1HB LEU 55 16.397 7.036 -5.856
409 HD11 LEU 55 1HD1 LEU 55 16.986 4.673 -7.746
410 HD12 LEU 55 2HD1 LEU 55 16.489 6.310 -8.172
411 HD13 LEU 55 3HD1 LEU 55 15.541 4.929 -8.726
412 HD21 LEU 55 3HD2 LEU 55 14.194 4.082 -5.371
413 HD22 LEU 55 1HD2 LEU 55 15.692 3.396 -5.999
414 HD23 LEU 55 2HD2 LEU 55 14.284 3.551 -7.050
415 H GLU 56 HN GLU 56 16.929 6.584 -2.911
416 HA GLU 56 HA GLU 56 19.311 8.226 -3.128
417 HB2 GLU 56 2HB GLU 56 17.110 8.216 -1.074
418 HB3 GLU 56 1HB GLU 56 18.416 9.387 -1.142
419 HG2 GLU 56 2HG GLU 56 16.271 8.967 -3.210
420 HG3 GLU 56 1HG GLU 56 16.408 10.322 -2.091
421 H TYR 57 HN TYR 57 20.478 6.013 -2.904
422 HA TYR 57 HA TYR 57 20.763 5.144 -0.143
423 HD1 TYR 57 HD1 TYR 57 21.125 2.570 0.543
424 HD2 TYR 57 HD2 TYR 57 24.231 3.491 -2.215
425 HE1 TYR 57 HE1 TYR 57 22.684 1.183 1.844
426 HE2 TYR 57 HE2 TYR 57 25.799 2.106 -0.922
427 HH TYR 57 HH TYR 57 26.039 1.257 1.383
428 HB2 TYR 57 2HB TYR 57 20.693 3.419 -1.853
429 HB3 TYR 57 1HB TYR 57 22.049 4.159 -2.697
430 HA ALA 1 HA ALA 1 -12.494 -11.742 -6.020
431 H1 ALA 1 1H ALA 1 -11.623 -10.136 -7.561
432 H2 ALA 1 2H ALA 1 -11.203 -9.097 -6.299
433 H3 ALA 1 3H ALA 1 -12.828 -9.443 -6.597
434 HB1 ALA 1 3HB ALA 1 -10.354 -12.337 -6.512
435 HB2 ALA 1 1HB ALA 1 -10.210 -12.123 -4.767
436 HB3 ALA 1 2HB ALA 1 -9.666 -10.850 -5.861
437 HA PRO 2 HA PRO 2 -12.031 -10.281 -1.547
438 HB2 PRO 2 1HB PRO 2 -9.792 -9.885 -1.134
439 HB3 PRO 2 2HB PRO 2 -10.421 -8.259 -0.834
440 HG2 PRO 2 2HG PRO 2 -9.798 -7.496 -2.942
441 HG3 PRO 2 1HG PRO 2 -8.484 -8.642 -2.610
442 HD2 PRO 2 2HD PRO 2 -10.066 -8.788 -4.818
443 HD3 PRO 2 1HD PRO 2 -9.316 -10.207 -4.066
444 HA PRO 3 HA PRO 3 -15.016 -6.964 -2.463
445 HB2 PRO 3 1HB PRO 3 -16.703 -8.488 -2.122
446 HB3 PRO 3 2HB PRO 3 -16.798 -7.689 -0.549
447 HG2 PRO 3 2HG PRO 3 -15.574 -9.349 0.512
448 HG3 PRO 3 1HG PRO 3 -16.403 -10.317 -0.721
449 HD2 PRO 3 2HD PRO 3 -13.707 -10.288 -0.455
450 HD3 PRO 3 1HD PRO 3 -14.512 -10.511 -2.022
451 H GLY 4 HN GLY 4 -14.070 -5.107 -1.770
452 HA2 GLY 4 2HA GLY 4 -14.627 -3.521 0.158
453 HA3 GLY 4 1HA GLY 4 -13.778 -4.711 1.137
454 H THR 5 HN THR 5 -11.542 -4.877 1.002
455 HA THR 5 HA THR 5 -10.211 -2.493 0.037
456 HB THR 5 HB THR 5 -9.476 -3.114 2.183
457 HG1 THR 5 HG1 THR 5 -7.468 -4.296 0.573
458 HG21 THR 5 3HG2 THR 5 -9.211 -5.907 1.076
459 HG22 THR 5 1HG2 THR 5 -10.270 -5.356 2.374
460 HG23 THR 5 2HG2 THR 5 -8.525 -5.409 2.623
461 H ALA 6 HN ALA 6 -7.999 -2.799 -0.973
462 HA ALA 6 HA ALA 6 -7.984 -5.029 -2.889
463 HB1 ALA 6 3HB ALA 6 -8.886 -2.869 -3.874
464 HB2 ALA 6 1HB ALA 6 -7.527 -3.611 -4.722
465 HB3 ALA 6 2HB ALA 6 -7.257 -2.218 -3.677
466 H ARG 7 HN ARG 7 -5.770 -4.980 -4.121
467 HA ARG 7 HA ARG 7 -3.628 -4.423 -2.171
468 HE ARG 7 HE ARG 7 -4.269 -8.746 -6.247
469 HB2 ARG 7 2HB ARG 7 -2.490 -6.460 -2.948
470 HB3 ARG 7 1HB ARG 7 -4.065 -6.819 -2.254
471 HG2 ARG 7 2HG ARG 7 -5.004 -6.965 -4.523
472 HG3 ARG 7 1HG ARG 7 -3.394 -6.675 -5.184
473 HD2 ARG 7 2HD ARG 7 -2.590 -8.698 -4.023
474 HD3 ARG 7 1HD ARG 7 -4.232 -8.999 -3.456
475 HH11 ARG 7 1HH1 ARG 7 -3.126 -10.911 -3.771
476 HH12 ARG 7 2HH1 ARG 7 -3.228 -12.319 -4.775
477 HH21 ARG 7 2HH2 ARG 7 -3.955 -12.134 -6.942
478 HH22 ARG 7 1HH2 ARG 7 -4.407 -10.587 -7.576
479 H ARG 8 HN ARG 8 -2.051 -3.100 -2.933
480 HA ARG 8 HA ARG 8 -2.060 -1.790 -5.311
481 HE ARG 8 HE ARG 8 1.469 0.916 -6.570
482 HB2 ARG 8 2HB ARG 8 -0.560 -1.285 -3.405
483 HB3 ARG 8 1HB ARG 8 0.436 -2.665 -3.845
484 HG2 ARG 8 2HG ARG 8 1.349 -0.500 -4.604
485 HG3 ARG 8 1HG ARG 8 1.050 -1.632 -5.918
486 HD2 ARG 8 2HD ARG 8 -0.982 -0.491 -6.512
487 HD3 ARG 8 1HD ARG 8 -0.848 0.561 -5.104
488 HH11 ARG 8 1HH1 ARG 8 -1.952 1.357 -7.044
489 HH12 ARG 8 2HH1 ARG 8 -1.761 2.673 -8.154
490 HH21 ARG 8 2HH2 ARG 8 0.335 3.405 -8.716
491 HH22 ARG 8 1HH2 ARG 8 1.734 2.646 -8.031
492 H LYS 9 HN LYS 9 -0.026 -4.643 -4.688
493 HA LYS 9 HA LYS 9 -0.464 -5.655 -7.359
494 HB2 LYS 9 2HB LYS 9 2.310 -4.854 -6.449
495 HB3 LYS 9 1HB LYS 9 1.943 -5.742 -7.920
496 HG2 LYS 9 2HG LYS 9 0.711 -3.843 -8.791
497 HG3 LYS 9 1HG LYS 9 1.029 -2.946 -7.308
498 HD2 LYS 9 2HD LYS 9 3.425 -3.039 -7.749
499 HD3 LYS 9 1HD LYS 9 3.129 -3.980 -9.213
500 HE2 LYS 9 2HE LYS 9 3.517 -1.658 -9.782
501 HE3 LYS 9 1HE LYS 9 1.848 -2.098 -10.141
502 HZ1 LYS 9 3HZ LYS 9 2.784 -0.606 -7.750
503 HZ2 LYS 9 1HZ LYS 9 1.181 -1.056 -8.052
504 HZ3 LYS 9 2HZ LYS 9 1.955 0.050 -9.070
505 H ARG 10 HN ARG 10 1.794 -7.481 -7.276
506 HA ARG 10 HA ARG 10 0.779 -9.573 -5.791
507 HE ARG 10 HE ARG 10 4.688 -11.316 -5.601
508 HB2 ARG 10 2HB ARG 10 2.919 -10.672 -6.082
509 HB3 ARG 10 1HB ARG 10 2.525 -9.788 -7.552
510 HG2 ARG 10 2HG ARG 10 4.067 -8.059 -7.023
511 HG3 ARG 10 1HG ARG 10 4.326 -8.706 -5.400
512 HD2 ARG 10 2HD ARG 10 5.059 -10.079 -7.986
513 HD3 ARG 10 1HD ARG 10 6.182 -9.249 -6.909
514 HH11 ARG 10 1HH1 ARG 10 7.491 -10.634 -7.550
515 HH12 ARG 10 2HH1 ARG 10 8.354 -12.041 -7.029
516 HH21 ARG 10 2HH2 ARG 10 7.403 -13.483 -5.528
517 HH22 ARG 10 1HH2 ARG 10 5.815 -13.172 -4.910
518 H LYS 11 HN LYS 11 2.685 -6.869 -4.796
519 HA LYS 11 HA LYS 11 3.498 -6.160 -2.817
520 HB2 LYS 11 2HB LYS 11 1.302 -7.956 -1.783
521 HB3 LYS 11 1HB LYS 11 2.231 -6.858 -0.777
522 HG2 LYS 11 2HG LYS 11 1.431 -5.010 -2.329
523 HG3 LYS 11 1HG LYS 11 0.271 -6.187 -2.933
524 HD2 LYS 11 2HD LYS 11 -0.540 -6.519 -0.622
525 HD3 LYS 11 1HD LYS 11 0.563 -5.250 -0.085
526 HE2 LYS 11 2HE LYS 11 -0.573 -3.665 -1.591
527 HE3 LYS 11 1HE LYS 11 -1.702 -4.937 -2.051
528 HZ1 LYS 11 3HZ LYS 11 -2.410 -5.071 0.272
529 HZ2 LYS 11 1HZ LYS 11 -2.659 -3.523 -0.366
530 HZ3 LYS 11 2HZ LYS 11 -1.358 -3.809 0.675
531 H ALA 12 HN ALA 12 5.543 -6.869 -2.657
532 HA ALA 12 HA ALA 12 6.147 -9.612 -2.007
533 HB1 ALA 12 3HB ALA 12 7.537 -8.130 -3.520
534 HB2 ALA 12 1HB ALA 12 8.423 -9.031 -2.288
535 HB3 ALA 12 2HB ALA 12 8.090 -7.313 -2.055
536 H ASP 13 HN ASP 13 6.073 -10.361 0.029
537 HA ASP 13 HA ASP 13 6.901 -8.549 2.194
538 HB2 ASP 13 2HB ASP 13 5.191 -9.615 3.656
539 HB3 ASP 13 1HB ASP 13 4.495 -8.698 2.323
540 H SER 14 HN SER 14 8.803 -10.026 1.204
541 HA SER 14 HA SER 14 10.391 -11.581 1.670
542 HG SER 14 HG SER 14 10.725 -10.273 4.927
543 HB2 SER 14 2HB SER 14 8.962 -11.604 4.338
544 HB3 SER 14 1HB SER 14 10.511 -12.390 4.034
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 8.091 2.686 -7.123
2 H2 GLY 1 2H GLY 1 8.044 4.301 -6.623
3 H3 GLY 1 3H GLY 1 8.530 3.095 -5.543
4 HA2 GLY 1 1HA GLY 1 10.522 2.674 -6.753
5 HA3 GLY 1 2HA GLY 1 9.989 3.745 -8.040
6 H SER 2 HN SER 2 9.428 4.599 -4.721
7 HA SER 2 HA SER 2 11.753 5.954 -4.071
8 HG SER 2 HG SER 2 9.108 7.087 -6.130
9 HB2 SER 2 2HB SER 2 11.168 8.299 -4.601
10 HB3 SER 2 1HB SER 2 11.422 7.323 -6.045
11 H GLN 3 HN GLN 3 8.264 5.871 -3.914
12 HA GLN 3 HA GLN 3 8.243 7.213 -1.355
13 HB2 GLN 3 2HB GLN 3 6.049 5.994 -2.991
14 HB3 GLN 3 1HB GLN 3 5.790 6.812 -1.463
15 HG2 GLN 3 2HG GLN 3 6.618 8.882 -2.403
16 HG3 GLN 3 1HG GLN 3 6.978 8.070 -3.926
17 HE21 GLN 3 2HE2 GLN 3 3.657 9.886 -3.931
18 HE22 GLN 3 1HE2 GLN 3 5.218 10.338 -3.349
19 H VAL 4 HN VAL 4 7.812 6.256 0.594
20 HA VAL 4 HA VAL 4 8.271 3.382 0.688
21 HB VAL 4 HB VAL 4 7.995 5.116 3.120
22 HG11 VAL 4 1HG1 VAL 4 9.548 3.522 4.081
23 HG12 VAL 4 2HG1 VAL 4 9.715 2.715 2.521
24 HG13 VAL 4 3HG1 VAL 4 8.171 2.682 3.370
25 HG21 VAL 4 3HG2 VAL 4 10.442 4.902 1.371
26 HG22 VAL 4 1HG2 VAL 4 10.435 5.556 3.009
27 HG23 VAL 4 2HG2 VAL 4 9.522 6.363 1.735
28 H PHE 5 HN PHE 5 5.833 3.986 -0.355
29 HA PHE 5 HA PHE 5 4.080 2.518 1.269
30 HD1 PHE 5 HD1 PHE 5 4.998 6.529 2.710
31 HD2 PHE 5 HD2 PHE 5 2.336 5.671 -0.496
32 HE1 PHE 5 HE1 PHE 5 5.275 8.825 1.870
33 HE2 PHE 5 HE2 PHE 5 2.608 7.964 -1.342
34 HZ PHE 5 HZ PHE 5 4.079 9.545 -0.159
35 HB2 PHE 5 2HB PHE 5 2.429 4.341 1.763
36 HB3 PHE 5 1HB PHE 5 3.936 4.492 2.654
37 H GLU 6 HN GLU 6 2.295 1.875 0.084
38 HA GLU 6 HA GLU 6 1.849 3.186 -2.513
39 HB2 GLU 6 2HB GLU 6 3.176 1.118 -2.804
40 HB3 GLU 6 1HB GLU 6 1.884 0.197 -2.038
41 HG2 GLU 6 2HG GLU 6 1.775 -0.014 -4.440
42 HG3 GLU 6 1HG GLU 6 0.364 0.853 -3.840
43 H TYR 7 HN TYR 7 -0.291 3.283 -3.228
44 HA TYR 7 HA TYR 7 -2.248 2.826 -1.158
45 HD1 TYR 7 HD1 TYR 7 -4.118 3.262 -4.938
46 HD2 TYR 7 HD2 TYR 7 -0.608 5.434 -3.912
47 HE1 TYR 7 HE1 TYR 7 -3.638 3.602 -7.326
48 HE2 TYR 7 HE2 TYR 7 -0.118 5.781 -6.298
49 HH TYR 7 HH TYR 7 -2.378 5.186 -8.743
50 HB2 TYR 7 2HB TYR 7 -3.755 4.071 -2.665
51 HB3 TYR 7 1HB TYR 7 -2.305 4.964 -2.247
52 H ALA 8 HN ALA 8 -3.070 0.934 -0.953
53 HA ALA 8 HA ALA 8 -3.585 -0.733 -3.305
54 HB1 ALA 8 3HB ALA 8 -3.483 -1.258 -0.345
55 HB2 ALA 8 1HB ALA 8 -2.523 -1.985 -1.634
56 HB3 ALA 8 2HB ALA 8 -4.224 -2.413 -1.450
57 H GLU 9 HN GLU 9 -5.189 1.400 -3.396
58 HA GLU 9 HA GLU 9 -7.779 0.500 -2.358
59 HB2 GLU 9 2HB GLU 9 -8.151 2.560 -1.598
60 HB3 GLU 9 1HB GLU 9 -6.450 2.834 -1.872
61 HG2 GLU 9 2HG GLU 9 -8.644 3.477 -3.816
62 HG3 GLU 9 1HG GLU 9 -7.847 4.630 -2.762
63 H VAL 10 HN VAL 10 -9.614 1.346 -3.537
64 HA VAL 10 HA VAL 10 -9.233 0.631 -6.287
65 HB VAL 10 HB VAL 10 -11.716 0.743 -4.675
66 HG11 VAL 10 1HG1 VAL 10 -12.920 0.207 -6.518
67 HG12 VAL 10 2HG1 VAL 10 -11.660 -0.866 -7.123
68 HG13 VAL 10 3HG1 VAL 10 -11.545 0.872 -7.399
69 HG21 VAL 10 3HG2 VAL 10 -9.958 -1.545 -5.497
70 HG22 VAL 10 1HG2 VAL 10 -11.544 -1.725 -4.752
71 HG23 VAL 10 2HG2 VAL 10 -10.239 -0.947 -3.860
72 H ASP 11 HN ASP 11 -10.467 3.256 -4.339
73 HA ASP 11 HA ASP 11 -10.275 4.971 -6.691
74 HB2 ASP 11 2HB ASP 11 -12.578 4.464 -6.782
75 HB3 ASP 11 1HB ASP 11 -12.781 4.637 -5.048
76 H GLU 12 HN GLU 12 -10.417 4.702 -3.176
77 HA GLU 12 HA GLU 12 -8.896 7.157 -2.960
78 HB2 GLU 12 2HB GLU 12 -11.709 6.986 -1.907
79 HB3 GLU 12 1HB GLU 12 -10.529 8.105 -1.236
80 HG2 GLU 12 2HG GLU 12 -11.404 8.021 -4.115
81 HG3 GLU 12 1HG GLU 12 -11.989 9.157 -2.899
82 H ILE 13 HN ILE 13 -8.112 7.587 -0.762
83 HA ILE 13 HA ILE 13 -8.323 5.276 1.043
84 HB ILE 13 HB ILE 13 -5.952 5.110 1.385
85 HG12 ILE 13 2HG1 ILE 13 -5.486 7.576 1.240
86 HG13 ILE 13 1HG1 ILE 13 -4.329 6.596 0.345
87 HG21 ILE 13 1HG2 ILE 13 -5.723 5.405 -1.502
88 HG22 ILE 13 2HG2 ILE 13 -7.180 4.560 -0.997
89 HG23 ILE 13 3HG2 ILE 13 -5.606 3.966 -0.489
90 HD11 ILE 13 3HD1 ILE 13 -6.395 8.475 -0.646
91 HD12 ILE 13 1HD1 ILE 13 -5.988 7.077 -1.643
92 HD13 ILE 13 2HD1 ILE 13 -4.733 8.228 -1.182
93 H VAL 14 HN VAL 14 -6.629 6.088 3.027
94 HA VAL 14 HA VAL 14 -7.176 8.855 3.704
95 HB VAL 14 HB VAL 14 -8.231 6.586 5.402
96 HG11 VAL 14 1HG1 VAL 14 -8.129 9.548 5.971
97 HG12 VAL 14 2HG1 VAL 14 -7.250 8.282 6.828
98 HG13 VAL 14 3HG1 VAL 14 -9.009 8.360 6.933
99 HG21 VAL 14 3HG2 VAL 14 -10.407 7.649 5.050
100 HG22 VAL 14 1HG2 VAL 14 -9.674 7.167 3.520
101 HG23 VAL 14 2HG2 VAL 14 -9.650 8.859 4.013
102 H GLU 15 HN GLU 15 -6.082 5.769 5.082
103 HA GLU 15 HA GLU 15 -3.889 7.141 6.443
104 HB2 GLU 15 2HB GLU 15 -4.688 4.220 6.479
105 HB3 GLU 15 1HB GLU 15 -3.462 4.961 7.499
106 HG2 GLU 15 2HG GLU 15 -5.168 6.355 8.546
107 HG3 GLU 15 1HG GLU 15 -6.399 5.618 7.520
108 H LYS 16 HN LYS 16 -1.732 6.911 5.851
109 HA LYS 16 HA LYS 16 -1.045 4.973 3.795
110 HB2 LYS 16 2HB LYS 16 0.006 6.840 2.399
111 HB3 LYS 16 1HB LYS 16 -1.743 6.677 2.336
112 HG2 LYS 16 2HG LYS 16 -1.946 8.511 3.962
113 HG3 LYS 16 1HG LYS 16 -0.191 8.692 3.949
114 HD2 LYS 16 2HD LYS 16 -0.248 9.228 1.575
115 HD3 LYS 16 1HD LYS 16 -1.996 8.989 1.547
116 HE2 LYS 16 2HE LYS 16 -0.502 11.085 3.121
117 HE3 LYS 16 1HE LYS 16 -1.452 11.358 1.661
118 HZ1 LYS 16 3HZ LYS 16 -2.498 10.395 4.268
119 HZ2 LYS 16 1HZ LYS 16 -3.421 10.603 2.865
120 HZ3 LYS 16 2HZ LYS 16 -2.714 11.941 3.619
121 H ARG 17 HN ARG 17 0.429 4.133 5.404
122 HA ARG 17 HA ARG 17 2.964 5.531 5.467
123 HE ARG 17 HE ARG 17 4.031 7.172 8.742
124 HB2 ARG 17 2HB ARG 17 1.462 4.952 8.021
125 HB3 ARG 17 1HB ARG 17 3.164 5.390 7.950
126 HG2 ARG 17 2HG ARG 17 2.473 7.515 6.818
127 HG3 ARG 17 1HG ARG 17 0.800 7.076 7.172
128 HD2 ARG 17 2HD ARG 17 1.590 8.564 8.885
129 HD3 ARG 17 1HD ARG 17 1.390 6.953 9.573
130 HH11 ARG 17 1HH1 ARG 17 1.901 8.657 11.061
131 HH12 ARG 17 2HH1 ARG 17 3.171 9.041 12.175
132 HH21 ARG 17 2HH2 ARG 17 5.337 8.483 11.686
133 HH22 ARG 17 1HH2 ARG 17 5.711 7.674 10.201
134 H GLY 18 HN GLY 18 3.891 3.724 4.399
135 HA2 GLY 18 2HA GLY 18 4.328 1.456 6.169
136 HA3 GLY 18 1HA GLY 18 3.465 1.106 4.693
137 H LYS 19 HN LYS 19 4.710 0.033 3.438
138 HA LYS 19 HA LYS 19 7.455 0.932 2.938
139 HB2 LYS 19 2HB LYS 19 6.204 -1.791 3.094
140 HB3 LYS 19 1HB LYS 19 7.819 -1.530 2.433
141 HG2 LYS 19 2HG LYS 19 8.559 -0.612 4.556
142 HG3 LYS 19 1HG LYS 19 6.939 -0.841 5.224
143 HD2 LYS 19 2HD LYS 19 7.120 -3.232 4.857
144 HD3 LYS 19 1HD LYS 19 8.729 -3.015 4.166
145 HE2 LYS 19 2HE LYS 19 7.970 -2.194 6.966
146 HE3 LYS 19 1HE LYS 19 8.706 -3.745 6.571
147 HZ1 LYS 19 3HZ LYS 19 10.362 -2.148 7.293
148 HZ2 LYS 19 1HZ LYS 19 9.908 -1.078 6.062
149 HZ3 LYS 19 2HZ LYS 19 10.617 -2.564 5.673
150 H GLY 20 HN GLY 20 6.803 -1.558 0.868
151 HA2 GLY 20 2HA GLY 20 6.144 0.260 -1.293
152 HA3 GLY 20 1HA GLY 20 6.709 -1.405 -1.445
153 H LYS 21 HN LYS 21 5.152 -2.622 0.321
154 HA LYS 21 HA LYS 21 2.379 -2.165 -0.496
155 HB2 LYS 21 2HB LYS 21 4.019 -4.642 -0.819
156 HB3 LYS 21 1HB LYS 21 2.299 -4.800 -0.487
157 HG2 LYS 21 2HG LYS 21 2.291 -4.842 -2.765
158 HG3 LYS 21 1HG LYS 21 2.087 -3.112 -2.486
159 HD2 LYS 21 2HD LYS 21 4.407 -2.704 -2.901
160 HD3 LYS 21 1HD LYS 21 4.760 -4.431 -2.937
161 HE2 LYS 21 2HE LYS 21 3.327 -4.650 -4.930
162 HE3 LYS 21 1HE LYS 21 3.058 -2.907 -4.905
163 HZ1 LYS 21 3HZ LYS 21 5.421 -2.565 -5.233
164 HZ2 LYS 21 1HZ LYS 21 4.793 -3.529 -6.473
165 HZ3 LYS 21 2HZ LYS 21 5.695 -4.233 -5.229
166 H ASP 22 HN ASP 22 4.448 -2.328 2.059
167 HA ASP 22 HA ASP 22 2.850 -3.910 3.825
168 HB2 ASP 22 2HB ASP 22 5.414 -3.750 3.909
169 HB3 ASP 22 1HB ASP 22 5.157 -2.167 4.622
170 H VAL 23 HN VAL 23 2.296 -1.092 2.594
171 HA VAL 23 HA VAL 23 1.747 0.397 4.988
172 HB VAL 23 HB VAL 23 2.650 1.397 2.880
173 HG11 VAL 23 1HG1 VAL 23 0.827 2.064 1.240
174 HG12 VAL 23 2HG1 VAL 23 -0.140 0.778 1.943
175 HG13 VAL 23 3HG1 VAL 23 1.397 0.402 1.166
176 HG21 VAL 23 3HG2 VAL 23 1.111 2.443 4.821
177 HG22 VAL 23 1HG2 VAL 23 0.169 2.877 3.399
178 HG23 VAL 23 2HG2 VAL 23 1.852 3.390 3.532
179 H GLU 24 HN GLU 24 -0.300 1.211 5.510
180 HA GLU 24 HA GLU 24 -2.471 -0.586 4.684
181 HB2 GLU 24 2HB GLU 24 -3.581 0.243 6.818
182 HB3 GLU 24 1HB GLU 24 -2.201 -0.827 7.007
183 HG2 GLU 24 2HG GLU 24 -0.772 1.138 7.423
184 HG3 GLU 24 1HG GLU 24 -2.198 2.168 7.309
185 H TYR 25 HN TYR 25 -3.450 0.412 3.039
186 HA TYR 25 HA TYR 25 -4.105 3.255 3.282
187 HD1 TYR 25 HD1 TYR 25 -3.891 4.776 -0.064
188 HD2 TYR 25 HD2 TYR 25 -1.294 2.318 2.218
189 HE1 TYR 25 HE1 TYR 25 -2.070 6.397 -0.381
190 HE2 TYR 25 HE2 TYR 25 0.531 3.921 1.907
191 HH TYR 25 HH TYR 25 1.179 5.698 0.406
192 HB2 TYR 25 2HB TYR 25 -3.511 1.469 0.988
193 HB3 TYR 25 1HB TYR 25 -4.691 2.750 0.729
194 H LEU 26 HN LEU 26 -6.240 3.930 2.812
195 HA LEU 26 HA LEU 26 -8.260 1.937 3.401
196 HG LEU 26 HG LEU 26 -10.611 3.172 3.180
197 HB2 LEU 26 2HB LEU 26 -8.528 3.938 4.649
198 HB3 LEU 26 1HB LEU 26 -8.236 4.945 3.245
199 HD11 LEU 26 1HD1 LEU 26 -11.920 5.003 4.314
200 HD12 LEU 26 2HD1 LEU 26 -10.375 5.610 4.908
201 HD13 LEU 26 3HD1 LEU 26 -10.921 3.997 5.360
202 HD21 LEU 26 3HD2 LEU 26 -10.314 4.394 1.230
203 HD22 LEU 26 1HD2 LEU 26 -9.850 5.854 2.105
204 HD23 LEU 26 2HD2 LEU 26 -11.527 5.309 2.125
205 H VAL 27 HN VAL 27 -10.182 1.753 2.025
206 HA VAL 27 HA VAL 27 -9.764 2.806 -0.638
207 HB VAL 27 HB VAL 27 -9.285 1.019 -1.683
208 HG11 VAL 27 1HG1 VAL 27 -9.096 -0.420 0.938
209 HG12 VAL 27 2HG1 VAL 27 -7.879 0.679 0.289
210 HG13 VAL 27 3HG1 VAL 27 -8.250 -0.822 -0.557
211 HG21 VAL 27 3HG2 VAL 27 -11.469 0.149 -1.917
212 HG22 VAL 27 1HG2 VAL 27 -11.489 -0.429 -0.253
213 HG23 VAL 27 2HG2 VAL 27 -10.454 -1.211 -1.442
214 H ARG 28 HN ARG 28 -11.399 3.923 -1.118
215 HA ARG 28 HA ARG 28 -14.080 3.109 -0.346
216 HE ARG 28 HE ARG 28 -12.239 7.751 1.375
217 HB2 ARG 28 2HB ARG 28 -13.333 5.380 -2.167
218 HB3 ARG 28 1HB ARG 28 -14.807 5.203 -1.228
219 HG2 ARG 28 2HG ARG 28 -13.405 5.436 0.839
220 HG3 ARG 28 1HG ARG 28 -12.052 5.858 -0.212
221 HD2 ARG 28 2HD ARG 28 -13.366 7.730 -1.117
222 HD3 ARG 28 1HD ARG 28 -14.686 7.317 -0.025
223 HH11 ARG 28 1HH1 ARG 28 -14.924 9.365 -0.147
224 HH12 ARG 28 2HH1 ARG 28 -14.786 10.792 0.825
225 HH21 ARG 28 2HH2 ARG 28 -13.152 10.941 2.422
226 HH22 ARG 28 1HH2 ARG 28 -12.048 9.628 2.662
227 H TRP 29 HN TRP 29 -13.935 1.154 -1.425
228 HA TRP 29 HA TRP 29 -13.249 0.284 -3.782
229 HD1 TRP 29 HD1 TRP 29 -13.333 -1.144 -5.204
230 HE1 TRP 29 HE1 TRP 29 -13.415 -3.627 -5.880
231 HE3 TRP 29 HE3 TRP 29 -16.833 -2.789 -1.854
232 HZ2 TRP 29 HZ2 TRP 29 -14.779 -5.971 -5.098
233 HZ3 TRP 29 HZ3 TRP 29 -17.468 -5.164 -1.884
234 HH2 TRP 29 HH2 TRP 29 -16.462 -6.722 -3.474
235 HB2 TRP 29 2HB TRP 29 -14.983 -0.598 -1.974
236 HB3 TRP 29 1HB TRP 29 -16.133 -0.169 -3.235
237 H LYS 30 HN LYS 30 -12.977 1.874 -5.265
238 HA LYS 30 HA LYS 30 -14.382 3.730 -6.462
239 HB2 LYS 30 2HB LYS 30 -12.354 2.670 -7.440
240 HB3 LYS 30 1HB LYS 30 -13.373 1.409 -8.113
241 HG2 LYS 30 2HG LYS 30 -14.560 3.076 -9.445
242 HG3 LYS 30 1HG LYS 30 -13.532 4.343 -8.773
243 HD2 LYS 30 2HD LYS 30 -11.563 3.249 -9.736
244 HD3 LYS 30 1HD LYS 30 -12.595 1.986 -10.409
245 HE2 LYS 30 2HE LYS 30 -12.037 3.641 -12.104
246 HE3 LYS 30 1HE LYS 30 -13.765 3.659 -11.755
247 HZ1 LYS 30 3HZ LYS 30 -12.858 5.896 -11.919
248 HZ2 LYS 30 1HZ LYS 30 -11.770 5.572 -10.664
249 HZ3 LYS 30 2HZ LYS 30 -13.433 5.597 -10.357
250 H ASP 31 HN ASP 31 -15.342 0.343 -6.722
251 HA ASP 31 HA ASP 31 -17.913 1.204 -7.881
252 HB2 ASP 31 2HB ASP 31 -16.633 -0.178 -9.460
253 HB3 ASP 31 1HB ASP 31 -16.479 -1.442 -8.244
254 H GLY 32 HN GLY 32 -17.937 1.495 -5.318
255 HA2 GLY 32 2HA GLY 32 -19.493 -0.770 -4.313
256 HA3 GLY 32 1HA GLY 32 -18.088 -0.271 -3.375
257 H GLY 33 HN GLY 33 -19.205 0.367 -1.578
258 HA2 GLY 33 2HA GLY 33 -20.591 2.934 -1.846
259 HA3 GLY 33 1HA GLY 33 -21.441 1.621 -1.044
260 H ASP 34 HN ASP 34 -19.418 0.454 0.414
261 HA ASP 34 HA ASP 34 -18.990 2.486 2.462
262 HB2 ASP 34 2HB ASP 34 -18.589 -0.513 2.523
263 HB3 ASP 34 1HB ASP 34 -18.370 0.563 3.900
264 H CYS 35 HN CYS 35 -16.803 1.848 3.781
265 HA CYS 35 HA CYS 35 -14.594 1.484 1.911
266 HG CYS 35 HG CYS 35 -14.114 5.331 4.429
267 HB2 CYS 35 2HB CYS 35 -13.449 3.521 2.682
268 HB3 CYS 35 1HB CYS 35 -14.976 3.897 1.889
269 H GLU 36 HN GLU 36 -12.797 0.588 2.808
270 HA GLU 36 HA GLU 36 -12.702 0.290 5.728
271 HB2 GLU 36 2HB GLU 36 -12.264 -1.959 3.751
272 HB3 GLU 36 1HB GLU 36 -12.070 -2.071 5.493
273 HG2 GLU 36 2HG GLU 36 -14.657 -1.417 4.106
274 HG3 GLU 36 1HG GLU 36 -14.191 -3.024 4.663
275 H TRP 37 HN TRP 37 -10.468 -1.020 6.164
276 HA TRP 37 HA TRP 37 -8.414 0.636 4.885
277 HD1 TRP 37 HD1 TRP 37 -8.976 2.542 5.897
278 HE1 TRP 37 HE1 TRP 37 -9.864 4.149 7.701
279 HE3 TRP 37 HE3 TRP 37 -8.400 -0.452 9.999
280 HZ2 TRP 37 HZ2 TRP 37 -10.265 4.145 10.496
281 HZ3 TRP 37 HZ3 TRP 37 -9.058 0.425 12.201
282 HH2 TRP 37 HH2 TRP 37 -9.973 2.676 12.443
283 HB2 TRP 37 2HB TRP 37 -8.372 -0.882 7.500
284 HB3 TRP 37 1HB TRP 37 -7.045 0.083 6.869
285 H VAL 38 HN VAL 38 -6.526 -0.254 4.062
286 HA VAL 38 HA VAL 38 -6.720 -3.056 3.301
287 HB VAL 38 HB VAL 38 -4.669 -0.982 2.512
288 HG11 VAL 38 1HG1 VAL 38 -5.087 -3.841 1.705
289 HG12 VAL 38 2HG1 VAL 38 -3.606 -3.050 2.244
290 HG13 VAL 38 3HG1 VAL 38 -4.267 -2.698 0.651
291 HG21 VAL 38 3HG2 VAL 38 -7.143 -0.770 1.765
292 HG22 VAL 38 1HG2 VAL 38 -6.755 -2.122 0.703
293 HG23 VAL 38 2HG2 VAL 38 -5.861 -0.608 0.565
294 H LYS 39 HN LYS 39 -4.823 -4.470 3.513
295 HA LYS 39 HA LYS 39 -3.856 -4.360 6.181
296 HB2 LYS 39 2HB LYS 39 -4.480 -6.479 5.086
297 HB3 LYS 39 1HB LYS 39 -3.132 -6.282 3.974
298 HG2 LYS 39 2HG LYS 39 -1.567 -6.416 5.845
299 HG3 LYS 39 1HG LYS 39 -2.921 -6.619 6.959
300 HD2 LYS 39 2HD LYS 39 -2.134 -8.483 4.720
301 HD3 LYS 39 1HD LYS 39 -1.948 -8.777 6.450
302 HE2 LYS 39 2HE LYS 39 -4.544 -8.449 4.952
303 HE3 LYS 39 1HE LYS 39 -3.892 -9.953 5.598
304 HZ1 LYS 39 3HZ LYS 39 -4.076 -9.027 7.827
305 HZ2 LYS 39 1HZ LYS 39 -5.580 -9.033 7.052
306 HZ3 LYS 39 2HZ LYS 39 -4.712 -7.590 7.200
307 H GLY 40 HN GLY 40 -2.369 -2.995 6.743
308 HA2 GLY 40 2HA GLY 40 -0.135 -2.432 4.970
309 HA3 GLY 40 1HA GLY 40 -0.511 -1.580 6.459
310 H VAL 41 HN VAL 41 -0.185 -5.047 5.944
311 HA VAL 41 HA VAL 41 2.160 -5.032 7.731
312 HB VAL 41 HB VAL 41 0.558 -7.510 7.326
313 HG11 VAL 41 1HG1 VAL 41 1.282 -7.940 9.637
314 HG12 VAL 41 2HG1 VAL 41 2.096 -6.376 9.656
315 HG13 VAL 41 3HG1 VAL 41 2.636 -7.638 8.548
316 HG21 VAL 41 3HG2 VAL 41 -1.165 -5.873 7.840
317 HG22 VAL 41 1HG2 VAL 41 -0.236 -5.299 9.225
318 HG23 VAL 41 2HG2 VAL 41 -0.905 -6.931 9.227
319 H HIS 42 HN HIS 42 1.390 -5.213 4.586
320 HA HIS 42 HA HIS 42 2.805 -7.571 3.837
321 HD1 HIS 42 HD1 HIS 42 -0.807 -6.823 2.030
322 HD2 HIS 42 HD2 HIS 42 2.632 -9.102 1.538
323 HE1 HIS 42 HE1 HIS 42 -1.604 -9.092 1.296
324 HE2 HIS 42 HE2 HIS 42 0.487 -10.479 1.097
325 HB2 HIS 42 2HB HIS 42 1.206 -5.534 2.532
326 HB3 HIS 42 1HB HIS 42 2.596 -6.027 1.556
327 H VAL 43 HN VAL 43 4.592 -7.212 5.069
328 HA VAL 43 HA VAL 43 6.424 -5.151 4.790
329 HB VAL 43 HB VAL 43 6.998 -8.026 5.479
330 HG11 VAL 43 1HG1 VAL 43 8.896 -6.956 6.785
331 HG12 VAL 43 2HG1 VAL 43 8.601 -5.510 5.821
332 HG13 VAL 43 3HG1 VAL 43 9.073 -7.012 5.032
333 HG21 VAL 43 3HG2 VAL 43 6.595 -5.792 7.437
334 HG22 VAL 43 1HG2 VAL 43 6.556 -7.531 7.718
335 HG23 VAL 43 2HG2 VAL 43 5.240 -6.750 6.841
336 H ALA 44 HN ALA 44 6.278 -4.846 2.444
337 HA ALA 44 HA ALA 44 7.991 -6.637 0.919
338 HB1 ALA 44 3HB ALA 44 5.878 -5.718 -0.072
339 HB2 ALA 44 1HB ALA 44 7.326 -5.397 -1.024
340 HB3 ALA 44 2HB ALA 44 6.622 -4.120 -0.032
341 H GLU 45 HN GLU 45 9.407 -5.687 2.884
342 HA GLU 45 HA GLU 45 10.584 -3.223 2.891
343 HB2 GLU 45 2HB GLU 45 11.077 -4.919 4.569
344 HB3 GLU 45 1HB GLU 45 11.921 -5.892 3.373
345 HG2 GLU 45 2HG GLU 45 13.596 -4.124 3.124
346 HG3 GLU 45 1HG GLU 45 12.753 -3.164 4.339
347 H ASP 46 HN ASP 46 11.000 -5.781 0.605
348 HA ASP 46 HA ASP 46 13.403 -4.794 -0.593
349 HB2 ASP 46 2HB ASP 46 12.865 -6.313 -2.443
350 HB3 ASP 46 1HB ASP 46 12.683 -7.122 -0.891
351 H VAL 47 HN VAL 47 9.960 -4.490 -1.374
352 HA VAL 47 HA VAL 47 10.255 -2.935 -3.685
353 HB VAL 47 HB VAL 47 8.003 -2.824 -1.673
354 HG11 VAL 47 1HG1 VAL 47 6.655 -1.994 -3.511
355 HG12 VAL 47 2HG1 VAL 47 8.042 -2.087 -4.596
356 HG13 VAL 47 3HG1 VAL 47 8.046 -0.939 -3.257
357 HG21 VAL 47 3HG2 VAL 47 8.511 -5.100 -2.550
358 HG22 VAL 47 1HG2 VAL 47 8.204 -4.491 -4.175
359 HG23 VAL 47 2HG2 VAL 47 6.907 -4.509 -2.980
360 H ALA 48 HN ALA 48 9.835 -2.026 -0.350
361 HA ALA 48 HA ALA 48 9.957 0.769 -0.532
362 HB1 ALA 48 3HB ALA 48 10.273 0.711 1.877
363 HB2 ALA 48 1HB ALA 48 10.569 -1.026 1.803
364 HB3 ALA 48 2HB ALA 48 8.983 -0.383 1.376
365 H LYS 49 HN LYS 49 12.375 -1.590 0.625
366 HA LYS 49 HA LYS 49 14.482 0.212 0.939
367 HB2 LYS 49 2HB LYS 49 14.636 -2.015 1.863
368 HB3 LYS 49 1HB LYS 49 14.520 -2.735 0.264
369 HG2 LYS 49 2HG LYS 49 16.680 -1.754 -0.334
370 HG3 LYS 49 1HG LYS 49 16.795 -1.039 1.275
371 HD2 LYS 49 2HD LYS 49 16.578 -3.996 0.717
372 HD3 LYS 49 1HD LYS 49 18.089 -3.142 1.036
373 HE2 LYS 49 2HE LYS 49 15.737 -3.277 2.919
374 HE3 LYS 49 1HE LYS 49 17.188 -4.273 3.035
375 HZ1 LYS 49 3HZ LYS 49 18.501 -2.274 3.344
376 HZ2 LYS 49 1HZ LYS 49 17.286 -2.363 4.518
377 HZ3 LYS 49 2HZ LYS 49 17.119 -1.308 3.207
378 H ASP 50 HN ASP 50 13.294 -1.511 -1.862
379 HA ASP 50 HA ASP 50 15.442 -0.453 -3.499
380 HB2 ASP 50 2HB ASP 50 14.912 -2.040 -5.071
381 HB3 ASP 50 1HB ASP 50 14.376 -2.845 -3.602
382 H TYR 51 HN TYR 51 12.321 0.448 -2.538
383 HA TYR 51 HA TYR 51 11.545 1.790 -4.895
384 HD1 TYR 51 HD1 TYR 51 10.497 0.369 -5.350
385 HD2 TYR 51 HD2 TYR 51 7.642 2.195 -2.770
386 HE1 TYR 51 HE1 TYR 51 8.680 -0.671 -6.628
387 HE2 TYR 51 HE2 TYR 51 5.823 1.157 -4.045
388 HH TYR 51 HH TYR 51 6.330 -1.322 -6.297
389 HB2 TYR 51 2HB TYR 51 10.445 1.448 -2.247
390 HB3 TYR 51 1HB TYR 51 10.079 3.002 -2.949
391 H GLU 52 HN GLU 52 12.433 2.869 -1.681
392 HA GLU 52 HA GLU 52 12.961 5.552 -2.639
393 HB2 GLU 52 2HB GLU 52 13.072 6.210 -0.336
394 HB3 GLU 52 1HB GLU 52 11.666 5.176 -0.550
395 HG2 GLU 52 2HG GLU 52 12.852 3.304 0.411
396 HG3 GLU 52 1HG GLU 52 14.321 4.271 0.541
397 H ASP 53 HN ASP 53 14.645 2.873 -1.115
398 HA ASP 53 HA ASP 53 17.177 4.286 -1.148
399 HB2 ASP 53 2HB ASP 53 16.053 1.941 0.167
400 HB3 ASP 53 1HB ASP 53 17.693 1.663 -0.425
401 H GLY 54 HN GLY 54 15.526 1.797 -2.979
402 HA2 GLY 54 2HA GLY 54 17.776 0.756 -4.338
403 HA3 GLY 54 1HA GLY 54 16.112 0.667 -4.897
404 H LEU 55 HN LEU 55 15.442 3.263 -5.285
405 HA LEU 55 HA LEU 55 16.641 3.829 -7.773
406 HG LEU 55 HG LEU 55 15.999 6.942 -7.724
407 HB2 LEU 55 2HB LEU 55 14.345 4.459 -7.252
408 HB3 LEU 55 1HB LEU 55 14.908 5.557 -6.007
409 HD11 LEU 55 1HD1 LEU 55 14.718 5.038 -9.678
410 HD12 LEU 55 2HD1 LEU 55 16.446 5.187 -9.360
411 HD13 LEU 55 3HD1 LEU 55 15.563 6.531 -10.085
412 HD21 LEU 55 3HD2 LEU 55 13.086 6.386 -8.266
413 HD22 LEU 55 1HD2 LEU 55 13.961 7.849 -8.717
414 HD23 LEU 55 2HD2 LEU 55 13.720 7.454 -7.015
415 H GLU 56 HN GLU 56 16.550 6.043 -4.979
416 HA GLU 56 HA GLU 56 19.046 7.228 -5.878
417 HB2 GLU 56 2HB GLU 56 17.183 8.007 -3.648
418 HB3 GLU 56 1HB GLU 56 18.615 8.908 -4.114
419 HG2 GLU 56 2HG GLU 56 17.628 9.232 -6.355
420 HG3 GLU 56 1HG GLU 56 16.165 8.424 -5.792
421 H TYR 57 HN TYR 57 19.941 4.957 -5.274
422 HA TYR 57 HA TYR 57 20.425 4.466 -2.496
423 HD1 TYR 57 HD1 TYR 57 20.634 1.808 -1.742
424 HD2 TYR 57 HD2 TYR 57 23.936 2.772 -4.247
425 HE1 TYR 57 HE1 TYR 57 22.118 0.498 -0.283
426 HE2 TYR 57 HE2 TYR 57 25.428 1.464 -2.795
427 HH TYR 57 HH TYR 57 24.290 -0.680 -0.443
428 HB2 TYR 57 2HB TYR 57 20.350 2.629 -4.119
429 HB3 TYR 57 1HB TYR 57 21.750 3.296 -4.953
430 HA ALA 1 HA ALA 1 -12.583 -9.264 6.942
431 H1 ALA 1 1H ALA 1 -14.258 -10.882 7.500
432 H2 ALA 1 2H ALA 1 -15.380 -10.124 6.486
433 H3 ALA 1 3H ALA 1 -14.805 -9.322 7.860
434 HB1 ALA 1 3HB ALA 1 -12.699 -11.290 5.616
435 HB2 ALA 1 1HB ALA 1 -12.230 -9.925 4.602
436 HB3 ALA 1 2HB ALA 1 -13.881 -10.544 4.540
437 HA PRO 2 HA PRO 2 -14.115 -5.351 5.495
438 HB2 PRO 2 1HB PRO 2 -12.387 -4.509 6.781
439 HB3 PRO 2 2HB PRO 2 -11.782 -4.073 5.177
440 HG2 PRO 2 2HG PRO 2 -10.327 -5.881 5.095
441 HG3 PRO 2 1HG PRO 2 -10.302 -5.541 6.835
442 HD2 PRO 2 2HD PRO 2 -10.985 -7.969 5.766
443 HD3 PRO 2 1HD PRO 2 -11.568 -7.382 7.336
444 HA PRO 3 HA PRO 3 -13.804 -6.312 1.054
445 HB2 PRO 3 1HB PRO 3 -16.077 -6.182 0.870
446 HB3 PRO 3 2HB PRO 3 -15.756 -4.536 0.316
447 HG2 PRO 3 2HG PRO 3 -16.219 -3.609 2.388
448 HG3 PRO 3 1HG PRO 3 -17.319 -4.999 2.432
449 HD2 PRO 3 2HD PRO 3 -15.482 -4.573 4.354
450 HD3 PRO 3 1HD PRO 3 -15.937 -6.210 3.835
451 H GLY 4 HN GLY 4 -13.757 -3.154 2.605
452 HA2 GLY 4 2HA GLY 4 -12.891 -1.663 0.356
453 HA3 GLY 4 1HA GLY 4 -12.718 -1.183 2.036
454 H THR 5 HN THR 5 -11.281 -3.158 -0.508
455 HA THR 5 HA THR 5 -8.642 -2.443 0.425
456 HB THR 5 HB THR 5 -7.804 -4.742 0.538
457 HG1 THR 5 HG1 THR 5 -9.208 -5.911 -0.703
458 HG21 THR 5 3HG2 THR 5 -8.830 -5.391 2.655
459 HG22 THR 5 1HG2 THR 5 -10.181 -4.301 2.347
460 HG23 THR 5 2HG2 THR 5 -8.562 -3.650 2.602
461 H ALA 6 HN ALA 6 -6.934 -3.093 -1.069
462 HA ALA 6 HA ALA 6 -7.502 -4.241 -3.597
463 HB1 ALA 6 3HB ALA 6 -8.665 -2.119 -3.955
464 HB2 ALA 6 1HB ALA 6 -7.261 -2.268 -5.009
465 HB3 ALA 6 2HB ALA 6 -7.184 -1.240 -3.578
466 H ARG 7 HN ARG 7 -5.614 -5.216 -2.331
467 HA ARG 7 HA ARG 7 -3.189 -4.056 -1.860
468 HE ARG 7 HE ARG 7 -5.391 -7.611 -1.970
469 HB2 ARG 7 2HB ARG 7 -3.871 -6.813 -2.845
470 HB3 ARG 7 1HB ARG 7 -2.207 -6.343 -2.540
471 HG2 ARG 7 2HG ARG 7 -3.067 -7.489 -0.619
472 HG3 ARG 7 1HG ARG 7 -2.817 -5.794 -0.213
473 HD2 ARG 7 2HD ARG 7 -4.927 -6.673 0.687
474 HD3 ARG 7 1HD ARG 7 -5.184 -5.353 -0.451
475 HH11 ARG 7 1HH1 ARG 7 -6.938 -6.461 0.929
476 HH12 ARG 7 2HH1 ARG 7 -8.439 -7.260 0.600
477 HH21 ARG 7 2HH2 ARG 7 -8.678 -8.517 -1.302
478 HH22 ARG 7 1HH2 ARG 7 -7.360 -8.667 -2.414
479 H ARG 8 HN ARG 8 -1.545 -3.223 -3.007
480 HA ARG 8 HA ARG 8 -1.797 -2.371 -5.589
481 HE ARG 8 HE ARG 8 -1.199 -1.838 -7.387
482 HB2 ARG 8 2HB ARG 8 -0.065 -1.591 -4.017
483 HB3 ARG 8 1HB ARG 8 0.805 -3.103 -4.243
484 HG2 ARG 8 2HG ARG 8 1.878 -1.526 -5.619
485 HG3 ARG 8 1HG ARG 8 0.911 -2.530 -6.698
486 HD2 ARG 8 2HD ARG 8 -0.171 0.037 -5.596
487 HD3 ARG 8 1HD ARG 8 0.862 0.025 -7.023
488 HH11 ARG 8 1HH1 ARG 8 -0.733 1.603 -7.139
489 HH12 ARG 8 2HH1 ARG 8 -2.079 1.990 -8.158
490 HH21 ARG 8 2HH2 ARG 8 -3.352 0.319 -9.065
491 HH22 ARG 8 1HH2 ARG 8 -2.974 -1.339 -8.735
492 H LYS 9 HN LYS 9 0.482 -5.021 -4.788
493 HA LYS 9 HA LYS 9 -0.282 -6.286 -7.335
494 HB2 LYS 9 2HB LYS 9 2.562 -6.179 -6.342
495 HB3 LYS 9 1HB LYS 9 1.988 -6.701 -7.919
496 HG2 LYS 9 2HG LYS 9 1.149 -4.289 -8.187
497 HG3 LYS 9 1HG LYS 9 2.219 -3.930 -6.830
498 HD2 LYS 9 2HD LYS 9 3.413 -3.510 -8.867
499 HD3 LYS 9 1HD LYS 9 4.089 -4.952 -8.107
500 HE2 LYS 9 2HE LYS 9 2.829 -6.371 -9.622
501 HE3 LYS 9 1HE LYS 9 2.062 -4.957 -10.341
502 HZ1 LYS 9 3HZ LYS 9 4.229 -4.220 -11.113
503 HZ2 LYS 9 1HZ LYS 9 3.884 -5.770 -11.701
504 HZ3 LYS 9 2HZ LYS 9 4.967 -5.573 -10.416
505 H ARG 10 HN ARG 10 1.523 -8.408 -7.219
506 HA ARG 10 HA ARG 10 0.173 -10.310 -5.716
507 HE ARG 10 HE ARG 10 5.873 -9.825 -7.438
508 HB2 ARG 10 2HB ARG 10 2.167 -11.750 -6.166
509 HB3 ARG 10 1HB ARG 10 1.512 -10.962 -7.596
510 HG2 ARG 10 2HG ARG 10 3.276 -9.389 -7.652
511 HG3 ARG 10 1HG ARG 10 3.829 -9.848 -6.042
512 HD2 ARG 10 2HD ARG 10 4.422 -12.074 -6.900
513 HD3 ARG 10 1HD ARG 10 3.898 -11.583 -8.511
514 HH11 ARG 10 1HH1 ARG 10 5.405 -12.896 -9.011
515 HH12 ARG 10 2HH1 ARG 10 6.987 -12.921 -9.717
516 HH21 ARG 10 2HH2 ARG 10 8.439 -11.190 -9.345
517 HH22 ARG 10 1HH2 ARG 10 7.958 -9.848 -8.361
518 H LYS 11 HN LYS 11 2.502 -8.025 -4.687
519 HA LYS 11 HA LYS 11 3.229 -7.521 -2.590
520 HB2 LYS 11 2HB LYS 11 2.091 -10.147 -1.621
521 HB3 LYS 11 1HB LYS 11 2.547 -8.756 -0.655
522 HG2 LYS 11 2HG LYS 11 0.447 -8.073 -0.744
523 HG3 LYS 11 1HG LYS 11 0.650 -7.805 -2.477
524 HD2 LYS 11 2HD LYS 11 -0.222 -9.931 -3.008
525 HD3 LYS 11 1HD LYS 11 -0.062 -10.501 -1.347
526 HE2 LYS 11 2HE LYS 11 -1.807 -8.960 -0.643
527 HE3 LYS 11 1HE LYS 11 -1.937 -8.332 -2.285
528 HZ1 LYS 11 3HZ LYS 11 -2.636 -10.531 -3.021
529 HZ2 LYS 11 1HZ LYS 11 -3.675 -9.933 -1.826
530 HZ3 LYS 11 2HZ LYS 11 -2.530 -11.116 -1.438
531 H ALA 12 HN ALA 12 5.328 -7.669 -3.301
532 HA ALA 12 HA ALA 12 6.864 -9.841 -3.877
533 HB1 ALA 12 3HB ALA 12 7.589 -7.496 -4.095
534 HB2 ALA 12 1HB ALA 12 8.806 -8.515 -3.326
535 HB3 ALA 12 2HB ALA 12 7.822 -7.427 -2.348
536 H ASP 13 HN ASP 13 5.735 -8.891 -0.728
537 HA ASP 13 HA ASP 13 7.445 -10.941 0.507
538 HB2 ASP 13 2HB ASP 13 7.706 -8.753 1.521
539 HB3 ASP 13 1HB ASP 13 5.965 -8.612 1.748
540 H SER 14 HN SER 14 4.179 -10.046 -0.199
541 HA SER 14 HA SER 14 2.158 -11.000 0.267
542 HG SER 14 HG SER 14 4.901 -13.419 -0.334
543 HB2 SER 14 2HB SER 14 2.117 -13.465 0.009
544 HB3 SER 14 1HB SER 14 3.077 -12.678 -1.243
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 8.749 4.235 -6.537
2 H2 GLY 1 2H GLY 1 8.974 3.150 -5.257
3 H3 GLY 1 3H GLY 1 8.838 2.573 -6.840
4 HA2 GLY 1 1HA GLY 1 11.149 2.565 -6.021
5 HA3 GLY 1 2HA GLY 1 10.909 3.522 -7.474
6 H SER 2 HN SER 2 9.900 4.533 -4.263
7 HA SER 2 HA SER 2 12.126 5.990 -3.473
8 HG SER 2 HG SER 2 10.001 7.983 -6.184
9 HB2 SER 2 2HB SER 2 11.498 8.291 -4.123
10 HB3 SER 2 1HB SER 2 11.876 7.284 -5.518
11 H GLN 3 HN GLN 3 8.628 5.811 -3.616
12 HA GLN 3 HA GLN 3 8.341 7.174 -1.080
13 HB2 GLN 3 2HB GLN 3 6.331 5.869 -2.879
14 HB3 GLN 3 1HB GLN 3 5.924 6.735 -1.410
15 HG2 GLN 3 2HG GLN 3 7.228 7.888 -3.865
16 HG3 GLN 3 1HG GLN 3 5.556 8.120 -3.362
17 HE21 GLN 3 2HE2 GLN 3 6.259 10.590 -1.004
18 HE22 GLN 3 1HE2 GLN 3 5.101 9.473 -1.633
19 H VAL 4 HN VAL 4 7.891 6.204 0.851
20 HA VAL 4 HA VAL 4 8.347 3.331 0.956
21 HB VAL 4 HB VAL 4 7.933 4.983 3.408
22 HG11 VAL 4 1HG1 VAL 4 9.564 3.439 4.346
23 HG12 VAL 4 2HG1 VAL 4 9.781 2.696 2.762
24 HG13 VAL 4 3HG1 VAL 4 8.231 2.567 3.590
25 HG21 VAL 4 3HG2 VAL 4 10.417 5.018 1.708
26 HG22 VAL 4 1HG2 VAL 4 10.377 5.520 3.398
27 HG23 VAL 4 2HG2 VAL 4 9.429 6.394 2.195
28 H PHE 5 HN PHE 5 5.974 3.835 -0.195
29 HA PHE 5 HA PHE 5 4.166 2.352 1.295
30 1HB PHE 5 2HB PHE 5 2.495 4.339 1.675
31 2HB PHE 5 1HB PHE 5 3.761 4.028 2.847
32 HD1 PHE 5 HD1 PHE 5 4.086 4.795 3.590
33 HD2 PHE 5 HD2 PHE 5 4.337 6.769 -0.171
34 HE1 PHE 5 HE1 PHE 5 6.482 5.198 3.967
35 HE2 PHE 5 HE2 PHE 5 6.736 7.172 0.198
36 HZ PHE 5 HZ PHE 5 5.312 9.380 1.283
37 H GLU 6 HN GLU 6 2.348 1.842 0.076
38 HA GLU 6 HA GLU 6 1.944 3.321 -2.432
39 HB2 GLU 6 2HB GLU 6 2.491 0.425 -2.048
40 HB3 GLU 6 1HB GLU 6 1.315 0.874 -3.274
41 HG2 GLU 6 2HG GLU 6 3.633 0.623 -4.116
42 HG3 GLU 6 1HG GLU 6 2.880 2.183 -4.446
43 H TYR 7 HN TYR 7 -0.183 3.279 -3.292
44 HA TYR 7 HA TYR 7 -2.172 2.879 -1.240
45 HD1 TYR 7 HD1 TYR 7 -3.984 3.352 -5.025
46 HD2 TYR 7 HD2 TYR 7 -0.459 5.491 -3.974
47 HE1 TYR 7 HE1 TYR 7 -3.487 3.694 -7.410
48 HE2 TYR 7 HE2 TYR 7 0.048 5.838 -6.355
49 HH TYR 7 HH TYR 7 -2.193 5.296 -8.811
50 HB2 TYR 7 2HB TYR 7 -3.631 4.167 -2.751
51 HB3 TYR 7 1HB TYR 7 -2.165 5.026 -2.317
52 H ALA 8 HN ALA 8 -3.162 1.061 -1.066
53 HA ALA 8 HA ALA 8 -3.679 -0.559 -3.462
54 HB1 ALA 8 3HB ALA 8 -3.433 -1.166 -0.548
55 HB2 ALA 8 1HB ALA 8 -2.723 -1.992 -1.934
56 HB3 ALA 8 2HB ALA 8 -4.430 -2.215 -1.554
57 H GLU 9 HN GLU 9 -5.213 1.558 -3.575
58 HA GLU 9 HA GLU 9 -7.801 0.730 -2.487
59 HB2 GLU 9 2HB GLU 9 -8.257 2.842 -1.862
60 HB3 GLU 9 1HB GLU 9 -6.519 2.972 -1.858
61 HG2 GLU 9 2HG GLU 9 -8.314 3.803 -4.116
62 HG3 GLU 9 1HG GLU 9 -7.628 4.882 -2.911
63 H VAL 10 HN VAL 10 -9.653 1.463 -3.650
64 HA VAL 10 HA VAL 10 -9.238 0.859 -6.420
65 HB VAL 10 HB VAL 10 -11.752 0.788 -4.848
66 HG11 VAL 10 1HG1 VAL 10 -11.734 1.010 -7.462
67 HG12 VAL 10 2HG1 VAL 10 -12.838 -0.107 -6.664
68 HG13 VAL 10 3HG1 VAL 10 -11.345 -0.706 -7.386
69 HG21 VAL 10 3HG2 VAL 10 -11.249 -1.773 -5.252
70 HG22 VAL 10 1HG2 VAL 10 -10.586 -0.899 -3.868
71 HG23 VAL 10 2HG2 VAL 10 -9.591 -1.178 -5.298
72 H ASP 11 HN ASP 11 -10.186 3.442 -4.404
73 HA ASP 11 HA ASP 11 -10.463 5.131 -6.755
74 HB2 ASP 11 2HB ASP 11 -12.761 4.344 -6.262
75 HB3 ASP 11 1HB ASP 11 -12.628 5.035 -4.649
76 H GLU 12 HN GLU 12 -10.345 4.914 -3.225
77 HA GLU 12 HA GLU 12 -8.730 7.317 -3.120
78 HB2 GLU 12 2HB GLU 12 -11.526 7.265 -2.022
79 HB3 GLU 12 1HB GLU 12 -10.299 8.322 -1.335
80 HG2 GLU 12 2HG GLU 12 -11.132 8.319 -4.227
81 HG3 GLU 12 1HG GLU 12 -11.746 9.429 -3.001
82 H ILE 13 HN ILE 13 -7.933 7.787 -0.888
83 HA ILE 13 HA ILE 13 -8.164 5.476 0.913
84 HB ILE 13 HB ILE 13 -5.794 5.286 1.266
85 HG12 ILE 13 2HG1 ILE 13 -5.285 7.737 1.109
86 HG13 ILE 13 1HG1 ILE 13 -4.155 6.740 0.194
87 HG21 ILE 13 1HG2 ILE 13 -7.021 4.745 -1.122
88 HG22 ILE 13 2HG2 ILE 13 -5.470 4.119 -0.591
89 HG23 ILE 13 3HG2 ILE 13 -5.539 5.553 -1.613
90 HD11 ILE 13 3HD1 ILE 13 -6.200 8.657 -0.761
91 HD12 ILE 13 1HD1 ILE 13 -5.855 7.245 -1.760
92 HD13 ILE 13 2HD1 ILE 13 -4.559 8.365 -1.335
93 H VAL 14 HN VAL 14 -6.457 6.272 2.908
94 HA VAL 14 HA VAL 14 -6.985 9.044 3.587
95 HB VAL 14 HB VAL 14 -8.040 6.790 5.305
96 HG11 VAL 14 1HG1 VAL 14 -8.812 8.551 6.823
97 HG12 VAL 14 2HG1 VAL 14 -8.022 9.765 5.816
98 HG13 VAL 14 3HG1 VAL 14 -7.055 8.560 6.667
99 HG21 VAL 14 3HG2 VAL 14 -9.561 7.204 3.525
100 HG22 VAL 14 1HG2 VAL 14 -9.412 8.951 3.718
101 HG23 VAL 14 2HG2 VAL 14 -10.218 7.991 4.959
102 H GLU 15 HN GLU 15 -5.996 5.977 5.086
103 HA GLU 15 HA GLU 15 -3.769 7.350 6.383
104 HB2 GLU 15 2HB GLU 15 -4.701 4.479 6.605
105 HB3 GLU 15 1HB GLU 15 -3.420 5.210 7.563
106 HG2 GLU 15 2HG GLU 15 -6.333 5.963 7.587
107 HG3 GLU 15 1HG GLU 15 -5.455 5.097 8.846
108 H LYS 16 HN LYS 16 -1.632 7.011 5.874
109 HA LYS 16 HA LYS 16 -0.936 4.945 3.942
110 HB2 LYS 16 2HB LYS 16 0.242 6.674 2.503
111 HB3 LYS 16 1HB LYS 16 -1.514 6.663 2.413
112 HG2 LYS 16 2HG LYS 16 -1.616 8.585 3.903
113 HG3 LYS 16 1HG LYS 16 0.142 8.583 4.043
114 HD2 LYS 16 2HD LYS 16 -0.499 10.259 2.447
115 HD3 LYS 16 1HD LYS 16 0.284 8.931 1.587
116 HE2 LYS 16 2HE LYS 16 -1.650 9.616 0.343
117 HE3 LYS 16 1HE LYS 16 -1.967 8.030 1.047
118 HZ1 LYS 16 3HZ LYS 16 -3.219 9.112 2.815
119 HZ2 LYS 16 1HZ LYS 16 -3.866 9.497 1.298
120 HZ3 LYS 16 2HZ LYS 16 -2.921 10.628 2.126
121 H ARG 17 HN ARG 17 0.503 4.057 5.475
122 HA ARG 17 HA ARG 17 3.023 5.446 5.789
123 HE ARG 17 HE ARG 17 5.167 5.488 10.382
124 HB2 ARG 17 2HB ARG 17 1.742 6.321 7.691
125 HB3 ARG 17 1HB ARG 17 1.401 4.680 8.223
126 HG2 ARG 17 2HG ARG 17 3.780 4.310 8.622
127 HG3 ARG 17 1HG ARG 17 4.128 5.951 8.076
128 HD2 ARG 17 2HD ARG 17 2.749 6.843 9.892
129 HD3 ARG 17 1HD ARG 17 2.405 5.203 10.437
130 HH11 ARG 17 1HH1 ARG 17 2.441 6.853 12.064
131 HH12 ARG 17 2HH1 ARG 17 3.339 7.204 13.503
132 HH21 ARG 17 2HH2 ARG 17 5.567 6.689 13.621
133 HH22 ARG 17 1HH2 ARG 17 6.359 5.945 12.273
134 H GLY 18 HN GLY 18 3.972 3.674 4.657
135 HA2 GLY 18 2HA GLY 18 4.285 1.313 6.319
136 HA3 GLY 18 1HA GLY 18 3.475 1.057 4.795
137 H LYS 19 HN LYS 19 4.780 -0.079 3.645
138 HA LYS 19 HA LYS 19 7.569 0.754 3.318
139 HB2 LYS 19 2HB LYS 19 6.224 -1.928 3.214
140 HB3 LYS 19 1HB LYS 19 7.917 -1.676 2.799
141 HG2 LYS 19 2HG LYS 19 8.336 -0.872 5.080
142 HG3 LYS 19 1HG LYS 19 6.649 -1.218 5.485
143 HD2 LYS 19 2HD LYS 19 7.003 -3.555 4.852
144 HD3 LYS 19 1HD LYS 19 8.696 -3.199 4.519
145 HE2 LYS 19 2HE LYS 19 7.357 -2.818 7.198
146 HE3 LYS 19 1HE LYS 19 8.313 -4.231 6.756
147 HZ1 LYS 19 3HZ LYS 19 9.311 -1.435 6.848
148 HZ2 LYS 19 1HZ LYS 19 10.229 -2.798 6.441
149 HZ3 LYS 19 2HZ LYS 19 9.616 -2.627 8.008
150 H GLY 20 HN GLY 20 7.054 -1.618 1.140
151 HA2 GLY 20 2HA GLY 20 6.592 0.250 -1.018
152 HA3 GLY 20 1HA GLY 20 7.108 -1.430 -1.155
153 H LYS 21 HN LYS 21 5.355 -2.590 0.493
154 HA LYS 21 HA LYS 21 2.676 -2.022 -0.535
155 HB2 LYS 21 2HB LYS 21 3.810 -4.813 -0.418
156 HB3 LYS 21 1HB LYS 21 2.312 -4.287 -1.170
157 HG2 LYS 21 2HG LYS 21 5.016 -3.383 -2.108
158 HG3 LYS 21 1HG LYS 21 4.211 -4.824 -2.728
159 HD2 LYS 21 2HD LYS 21 2.397 -3.535 -3.584
160 HD3 LYS 21 1HD LYS 21 2.963 -2.082 -2.756
161 HE2 LYS 21 2HE LYS 21 3.443 -2.293 -5.264
162 HE3 LYS 21 1HE LYS 21 4.775 -1.820 -4.209
163 HZ1 LYS 21 3HZ LYS 21 5.677 -3.988 -4.301
164 HZ2 LYS 21 1HZ LYS 21 5.310 -3.566 -5.898
165 HZ3 LYS 21 2HZ LYS 21 4.299 -4.624 -5.050
166 H ASP 22 HN ASP 22 4.525 -2.327 2.170
167 HA ASP 22 HA ASP 22 2.781 -3.963 3.739
168 HB2 ASP 22 2HB ASP 22 5.277 -3.990 4.052
169 HB3 ASP 22 1HB ASP 22 5.120 -2.355 4.644
170 H VAL 23 HN VAL 23 2.344 -1.107 2.601
171 HA VAL 23 HA VAL 23 1.749 0.336 5.006
172 HB VAL 23 HB VAL 23 2.742 1.334 2.929
173 HG11 VAL 23 1HG1 VAL 23 1.453 0.437 1.173
174 HG12 VAL 23 2HG1 VAL 23 0.965 2.125 1.285
175 HG13 VAL 23 3HG1 VAL 23 -0.070 0.872 1.945
176 HG21 VAL 23 3HG2 VAL 23 0.319 2.906 3.449
177 HG22 VAL 23 1HG2 VAL 23 2.019 3.342 3.625
178 HG23 VAL 23 2HG2 VAL 23 1.214 2.391 4.875
179 H GLU 24 HN GLU 24 -0.283 1.211 5.484
180 HA GLU 24 HA GLU 24 -2.492 -0.495 4.570
181 HB2 GLU 24 2HB GLU 24 -3.644 0.317 6.668
182 HB3 GLU 24 1HB GLU 24 -2.264 -0.742 6.912
183 HG2 GLU 24 2HG GLU 24 -0.863 1.189 7.420
184 HG3 GLU 24 1HG GLU 24 -2.239 2.259 7.154
185 H TYR 25 HN TYR 25 -3.506 0.507 2.973
186 HA TYR 25 HA TYR 25 -4.037 3.381 3.193
187 HD1 TYR 25 HD1 TYR 25 -3.730 4.871 -0.187
188 HD2 TYR 25 HD2 TYR 25 -1.242 2.403 2.212
189 HE1 TYR 25 HE1 TYR 25 -1.870 6.423 -0.551
190 HE2 TYR 25 HE2 TYR 25 0.630 3.953 1.855
191 HH TYR 25 HH TYR 25 1.329 5.645 0.187
192 HB2 TYR 25 2HB TYR 25 -3.461 1.588 0.899
193 HB3 TYR 25 1HB TYR 25 -4.601 2.900 0.627
194 H LEU 26 HN LEU 26 -6.158 4.115 2.667
195 HA LEU 26 HA LEU 26 -8.236 2.186 3.261
196 HG LEU 26 HG LEU 26 -10.551 3.500 2.992
197 HB2 LEU 26 2HB LEU 26 -8.468 4.198 4.486
198 HB3 LEU 26 1HB LEU 26 -8.119 5.186 3.082
199 HD11 LEU 26 1HD1 LEU 26 -11.699 5.612 4.045
200 HD12 LEU 26 2HD1 LEU 26 -10.142 5.769 4.859
201 HD13 LEU 26 3HD1 LEU 26 -11.097 4.300 5.057
202 HD21 LEU 26 3HD2 LEU 26 -10.179 4.700 1.037
203 HD22 LEU 26 1HD2 LEU 26 -9.712 6.156 1.913
204 HD23 LEU 26 2HD2 LEU 26 -11.396 5.638 1.904
205 H VAL 27 HN VAL 27 -10.158 2.039 1.897
206 HA VAL 27 HA VAL 27 -9.745 3.062 -0.768
207 HB VAL 27 HB VAL 27 -9.288 1.274 -1.817
208 HG11 VAL 27 1HG1 VAL 27 -7.801 0.947 0.053
209 HG12 VAL 27 2HG1 VAL 27 -8.263 -0.594 -0.672
210 HG13 VAL 27 3HG1 VAL 27 -9.010 -0.071 0.839
211 HG21 VAL 27 3HG2 VAL 27 -11.446 -0.185 -0.343
212 HG22 VAL 27 1HG2 VAL 27 -10.424 -0.963 -1.548
213 HG23 VAL 27 2HG2 VAL 27 -11.463 0.386 -2.007
214 H ARG 28 HN ARG 28 -11.380 4.209 -1.198
215 HA ARG 28 HA ARG 28 -14.054 3.424 -0.411
216 HE ARG 28 HE ARG 28 -14.360 7.046 -3.434
217 HB2 ARG 28 2HB ARG 28 -13.237 5.855 -0.625
218 HB3 ARG 28 1HB ARG 28 -13.272 5.581 -2.362
219 HG2 ARG 28 2HG ARG 28 -15.651 5.157 -2.290
220 HG3 ARG 28 1HG ARG 28 -15.648 5.331 -0.534
221 HD2 ARG 28 2HD ARG 28 -16.443 7.358 -1.706
222 HD3 ARG 28 1HD ARG 28 -15.011 7.648 -0.718
223 HH11 ARG 28 1HH1 ARG 28 -15.413 9.575 -1.282
224 HH12 ARG 28 2HH1 ARG 28 -14.757 10.851 -2.253
225 HH21 ARG 28 2HH2 ARG 28 -13.663 10.364 -4.207
226 HH22 ARG 28 1HH2 ARG 28 -13.492 8.717 -4.718
227 H TRP 29 HN TRP 29 -13.707 1.384 -1.381
228 HA TRP 29 HA TRP 29 -13.106 0.431 -3.720
229 HD1 TRP 29 HD1 TRP 29 -13.048 -1.159 -4.938
230 HE1 TRP 29 HE1 TRP 29 -12.698 -3.701 -5.165
231 HE3 TRP 29 HE3 TRP 29 -16.073 -2.742 -1.132
232 HZ2 TRP 29 HZ2 TRP 29 -13.588 -6.063 -3.898
233 HZ3 TRP 29 HZ3 TRP 29 -16.270 -5.157 -0.705
234 HH2 TRP 29 HH2 TRP 29 -15.052 -6.782 -2.060
235 HB2 TRP 29 2HB TRP 29 -14.763 -0.381 -1.732
236 HB3 TRP 29 1HB TRP 29 -15.882 -0.296 -3.088
237 H LYS 30 HN LYS 30 -13.071 1.997 -5.290
238 HA LYS 30 HA LYS 30 -14.788 3.640 -6.445
239 HB2 LYS 30 2HB LYS 30 -12.682 2.900 -7.516
240 HB3 LYS 30 1HB LYS 30 -13.499 1.454 -8.081
241 HG2 LYS 30 2HG LYS 30 -15.012 2.816 -9.415
242 HG3 LYS 30 1HG LYS 30 -14.212 4.280 -8.836
243 HD2 LYS 30 2HD LYS 30 -13.410 3.650 -11.058
244 HD3 LYS 30 1HD LYS 30 -12.119 3.548 -9.859
245 HE2 LYS 30 2HE LYS 30 -12.470 1.125 -9.704
246 HE3 LYS 30 1HE LYS 30 -13.742 1.236 -10.920
247 HZ1 LYS 30 3HZ LYS 30 -11.655 0.532 -11.898
248 HZ2 LYS 30 1HZ LYS 30 -10.884 1.929 -11.335
249 HZ3 LYS 30 2HZ LYS 30 -12.101 2.047 -12.503
250 H ASP 31 HN ASP 31 -15.276 0.156 -6.551
251 HA ASP 31 HA ASP 31 -17.975 0.610 -7.649
252 HB2 ASP 31 2HB ASP 31 -16.214 -1.843 -7.910
253 HB3 ASP 31 1HB ASP 31 -17.865 -1.713 -8.508
254 H GLY 32 HN GLY 32 -17.934 1.054 -5.101
255 HA2 GLY 32 2HA GLY 32 -19.129 -1.337 -3.900
256 HA3 GLY 32 1HA GLY 32 -17.801 -0.556 -3.045
257 H GLY 33 HN GLY 33 -19.437 -0.393 -1.342
258 HA2 GLY 33 2HA GLY 33 -21.034 2.065 -1.700
259 HA3 GLY 33 1HA GLY 33 -21.670 0.672 -0.837
260 H ASP 34 HN ASP 34 -19.434 -0.075 0.630
261 HA ASP 34 HA ASP 34 -19.315 2.120 2.561
262 HB2 ASP 34 2HB ASP 34 -18.548 -0.791 2.874
263 HB3 ASP 34 1HB ASP 34 -18.574 0.410 4.162
264 H CYS 35 HN CYS 35 -17.064 1.683 3.945
265 HA CYS 35 HA CYS 35 -14.843 1.556 2.049
266 HG CYS 35 HG CYS 35 -12.468 2.875 3.020
267 HB2 CYS 35 2HB CYS 35 -15.517 3.937 2.183
268 HB3 CYS 35 1HB CYS 35 -15.262 3.893 3.925
269 H GLU 36 HN GLU 36 -12.895 0.931 2.933
270 HA GLU 36 HA GLU 36 -12.673 0.625 5.818
271 HB2 GLU 36 2HB GLU 36 -12.582 -1.712 3.907
272 HB3 GLU 36 1HB GLU 36 -11.964 -1.777 5.551
273 HG2 GLU 36 2HG GLU 36 -14.809 -1.116 4.832
274 HG3 GLU 36 1HG GLU 36 -14.236 -2.722 5.283
275 H TRP 37 HN TRP 37 -10.426 -0.727 6.134
276 HA TRP 37 HA TRP 37 -8.457 0.857 4.647
277 HD1 TRP 37 HD1 TRP 37 -9.076 2.754 5.626
278 HE1 TRP 37 HE1 TRP 37 -9.818 4.428 7.434
279 HE3 TRP 37 HE3 TRP 37 -7.939 0.012 9.787
280 HZ2 TRP 37 HZ2 TRP 37 -9.909 4.569 10.252
281 HZ3 TRP 37 HZ3 TRP 37 -8.382 0.989 12.000
282 HH2 TRP 37 HH2 TRP 37 -9.347 3.221 12.226
283 HB2 TRP 37 2HB TRP 37 -8.220 -0.567 7.303
284 HB3 TRP 37 1HB TRP 37 -6.955 0.389 6.545
285 H VAL 38 HN VAL 38 -6.525 -0.092 3.896
286 HA VAL 38 HA VAL 38 -6.832 -2.874 3.092
287 HB VAL 38 HB VAL 38 -4.660 -0.895 2.386
288 HG11 VAL 38 1HG1 VAL 38 -4.241 -2.548 0.524
289 HG12 VAL 38 2HG1 VAL 38 -5.253 -3.678 1.416
290 HG13 VAL 38 3HG1 VAL 38 -3.763 -3.069 2.136
291 HG21 VAL 38 3HG2 VAL 38 -6.740 -1.855 0.486
292 HG22 VAL 38 1HG2 VAL 38 -5.800 -0.365 0.462
293 HG23 VAL 38 2HG2 VAL 38 -7.127 -0.554 1.610
294 H LYS 39 HN LYS 39 -4.987 -4.368 3.296
295 HA LYS 39 HA LYS 39 -4.051 -4.353 5.975
296 HB2 LYS 39 2HB LYS 39 -4.727 -6.429 4.855
297 HB3 LYS 39 1HB LYS 39 -3.399 -6.244 3.719
298 HG2 LYS 39 2HG LYS 39 -1.794 -6.494 5.528
299 HG3 LYS 39 1HG LYS 39 -3.115 -6.637 6.691
300 HD2 LYS 39 2HD LYS 39 -3.901 -8.654 5.534
301 HD3 LYS 39 1HD LYS 39 -2.562 -8.516 4.393
302 HE2 LYS 39 2HE LYS 39 -2.036 -10.150 6.102
303 HE3 LYS 39 1HE LYS 39 -0.977 -8.752 6.252
304 HZ1 LYS 39 3HZ LYS 39 -1.770 -9.456 8.408
305 HZ2 LYS 39 1HZ LYS 39 -3.379 -9.300 7.908
306 HZ3 LYS 39 2HZ LYS 39 -2.398 -7.930 8.040
307 H GLY 40 HN GLY 40 -2.568 -2.967 6.537
308 HA2 GLY 40 2HA GLY 40 -0.284 -2.468 4.818
309 HA3 GLY 40 1HA GLY 40 -0.660 -1.623 6.310
310 H VAL 41 HN VAL 41 -0.332 -5.079 5.673
311 HA VAL 41 HA VAL 41 1.967 -5.138 7.515
312 HB VAL 41 HB VAL 41 0.297 -7.567 7.073
313 HG11 VAL 41 1HG1 VAL 41 2.406 -7.730 8.283
314 HG12 VAL 41 2HG1 VAL 41 1.037 -8.113 9.324
315 HG13 VAL 41 3HG1 VAL 41 1.832 -6.544 9.454
316 HG21 VAL 41 3HG2 VAL 41 -1.080 -6.942 9.070
317 HG22 VAL 41 1HG2 VAL 41 -1.408 -5.977 7.631
318 HG23 VAL 41 2HG2 VAL 41 -0.429 -5.309 8.937
319 H HIS 42 HN HIS 42 1.328 -5.153 4.386
320 HA HIS 42 HA HIS 42 2.598 -7.564 3.537
321 HD1 HIS 42 HD1 HIS 42 -0.265 -7.824 2.701
322 HD2 HIS 42 HD2 HIS 42 2.470 -7.610 -0.420
323 HE1 HIS 42 HE1 HIS 42 -0.884 -9.690 1.135
324 HE2 HIS 42 HE2 HIS 42 0.710 -9.464 -0.803
325 HB2 HIS 42 2HB HIS 42 1.086 -5.460 2.351
326 HB3 HIS 42 1HB HIS 42 2.594 -5.648 1.450
327 H VAL 43 HN VAL 43 4.364 -7.392 4.886
328 HA VAL 43 HA VAL 43 6.312 -5.425 4.812
329 HB VAL 43 HB VAL 43 6.685 -8.361 5.373
330 HG11 VAL 43 1HG1 VAL 43 8.430 -5.975 5.926
331 HG12 VAL 43 2HG1 VAL 43 8.842 -7.453 5.058
332 HG13 VAL 43 3HG1 VAL 43 8.589 -7.495 6.802
333 HG21 VAL 43 3HG2 VAL 43 4.970 -7.362 6.780
334 HG22 VAL 43 1HG2 VAL 43 6.074 -6.062 7.228
335 HG23 VAL 43 2HG2 VAL 43 6.416 -7.719 7.725
336 H ALA 44 HN ALA 44 6.285 -4.993 2.477
337 HA ALA 44 HA ALA 44 8.014 -6.756 0.939
338 HB1 ALA 44 3HB ALA 44 5.969 -5.732 -0.093
339 HB2 ALA 44 1HB ALA 44 7.465 -5.404 -0.967
340 HB3 ALA 44 2HB ALA 44 6.752 -4.159 0.059
341 H GLU 45 HN GLU 45 9.323 -5.898 3.039
342 HA GLU 45 HA GLU 45 10.575 -3.486 3.190
343 HB2 GLU 45 2HB GLU 45 12.251 -4.499 4.476
344 HB3 GLU 45 1HB GLU 45 10.872 -5.569 4.674
345 HG2 GLU 45 2HG GLU 45 11.833 -7.079 2.974
346 HG3 GLU 45 1HG GLU 45 13.231 -6.013 2.853
347 H ASP 46 HN ASP 46 11.072 -5.978 0.851
348 HA ASP 46 HA ASP 46 13.534 -4.988 -0.214
349 HB2 ASP 46 2HB ASP 46 12.736 -7.316 -0.551
350 HB3 ASP 46 1HB ASP 46 11.437 -6.698 -1.565
351 H VAL 47 HN VAL 47 10.129 -4.579 -1.071
352 HA VAL 47 HA VAL 47 10.571 -3.007 -3.373
353 HB VAL 47 HB VAL 47 8.208 -2.993 -1.483
354 HG11 VAL 47 1HG1 VAL 47 8.326 -0.996 -2.917
355 HG12 VAL 47 2HG1 VAL 47 6.953 -2.027 -3.317
356 HG13 VAL 47 3HG1 VAL 47 8.391 -2.039 -4.338
357 HG21 VAL 47 3HG2 VAL 47 8.508 -4.458 -4.098
358 HG22 VAL 47 1HG2 VAL 47 7.190 -4.589 -2.934
359 HG23 VAL 47 2HG2 VAL 47 8.794 -5.197 -2.523
360 H ALA 48 HN ALA 48 9.952 -2.191 -0.054
361 HA ALA 48 HA ALA 48 10.041 0.600 -0.135
362 HB1 ALA 48 3HB ALA 48 10.442 -1.345 2.119
363 HB2 ALA 48 1HB ALA 48 8.964 -0.485 1.687
364 HB3 ALA 48 2HB ALA 48 10.346 0.405 2.325
365 H LYS 49 HN LYS 49 12.436 -1.782 1.027
366 HA LYS 49 HA LYS 49 14.497 0.064 1.511
367 HB2 LYS 49 2HB LYS 49 14.551 -2.205 2.412
368 HB3 LYS 49 1HB LYS 49 14.656 -2.873 0.790
369 HG2 LYS 49 2HG LYS 49 16.841 -1.879 0.486
370 HG3 LYS 49 1HG LYS 49 16.733 -1.108 2.070
371 HD2 LYS 49 2HD LYS 49 18.098 -3.113 2.203
372 HD3 LYS 49 1HD LYS 49 16.607 -3.328 3.122
373 HE2 LYS 49 2HE LYS 49 17.074 -5.331 1.856
374 HE3 LYS 49 1HE LYS 49 15.638 -4.541 1.206
375 HZ1 LYS 49 3HZ LYS 49 17.015 -3.593 -0.553
376 HZ2 LYS 49 1HZ LYS 49 17.090 -5.283 -0.563
377 HZ3 LYS 49 2HZ LYS 49 18.377 -4.384 0.065
378 H ASP 50 HN ASP 50 13.427 -1.592 -1.345
379 HA ASP 50 HA ASP 50 15.657 -0.586 -2.927
380 HB2 ASP 50 2HB ASP 50 14.634 -2.955 -3.119
381 HB3 ASP 50 1HB ASP 50 13.326 -2.160 -3.993
382 H TYR 51 HN TYR 51 12.613 0.454 -1.945
383 HA TYR 51 HA TYR 51 11.941 1.818 -4.344
384 HD1 TYR 51 HD1 TYR 51 10.983 0.362 -4.981
385 HD2 TYR 51 HD2 TYR 51 7.877 1.968 -2.546
386 HE1 TYR 51 HE1 TYR 51 9.309 -0.631 -6.469
387 HE2 TYR 51 HE2 TYR 51 6.203 0.969 -4.038
388 HH TYR 51 HH TYR 51 5.998 0.180 -6.318
389 HB2 TYR 51 2HB TYR 51 10.616 1.328 -1.822
390 HB3 TYR 51 1HB TYR 51 10.266 2.894 -2.515
391 H GLU 52 HN GLU 52 12.415 2.825 -1.003
392 HA GLU 52 HA GLU 52 13.032 5.537 -1.811
393 HB2 GLU 52 2HB GLU 52 12.959 6.082 0.522
394 HB3 GLU 52 1HB GLU 52 11.606 5.013 0.178
395 HG2 GLU 52 2HG GLU 52 12.837 3.131 1.105
396 HG3 GLU 52 1HG GLU 52 14.221 4.176 1.414
397 H ASP 53 HN ASP 53 14.622 2.812 -0.252
398 HA ASP 53 HA ASP 53 17.155 4.218 -0.115
399 HB2 ASP 53 2HB ASP 53 16.043 1.672 0.936
400 HB3 ASP 53 1HB ASP 53 17.789 1.741 0.683
401 H GLY 54 HN GLY 54 15.516 2.118 -2.285
402 HA2 GLY 54 2HA GLY 54 17.897 1.029 -3.492
403 HA3 GLY 54 1HA GLY 54 16.254 0.865 -4.092
404 H LEU 55 HN LEU 55 15.836 3.799 -4.014
405 HA LEU 55 HA LEU 55 17.004 4.371 -6.606
406 HG LEU 55 HG LEU 55 14.357 6.936 -7.149
407 HB2 LEU 55 2HB LEU 55 14.586 4.826 -5.963
408 HB3 LEU 55 1HB LEU 55 15.191 6.154 -4.990
409 HD11 LEU 55 1HD1 LEU 55 16.181 8.330 -7.735
410 HD12 LEU 55 2HD1 LEU 55 17.356 7.166 -7.123
411 HD13 LEU 55 3HD1 LEU 55 16.308 8.033 -6.001
412 HD21 LEU 55 3HD2 LEU 55 15.497 6.329 -9.221
413 HD22 LEU 55 1HD2 LEU 55 14.777 4.916 -8.450
414 HD23 LEU 55 2HD2 LEU 55 16.515 5.194 -8.334
415 H GLU 56 HN GLU 56 16.681 6.274 -3.598
416 HA GLU 56 HA GLU 56 19.053 7.789 -4.319
417 HB2 GLU 56 2HB GLU 56 18.518 9.095 -2.244
418 HB3 GLU 56 1HB GLU 56 17.240 9.096 -3.453
419 HG2 GLU 56 2HG GLU 56 15.954 7.533 -2.205
420 HG3 GLU 56 1HG GLU 56 17.283 7.245 -1.083
421 H TYR 57 HN TYR 57 20.023 5.445 -4.064
422 HA TYR 57 HA TYR 57 20.758 4.784 -1.346
423 HD1 TYR 57 HD1 TYR 57 20.847 1.787 -0.899
424 HD2 TYR 57 HD2 TYR 57 23.971 3.255 -3.385
425 HE1 TYR 57 HE1 TYR 57 22.460 0.370 0.301
426 HE2 TYR 57 HE2 TYR 57 25.593 1.843 -2.193
427 HH TYR 57 HH TYR 57 24.679 -0.662 -0.128
428 HB2 TYR 57 2HB TYR 57 20.348 2.985 -2.953
429 HB3 TYR 57 1HB TYR 57 21.638 3.591 -3.985
430 HA ALA 1 HA ALA 1 -12.759 -9.571 5.774
431 H1 ALA 1 1H ALA 1 -14.333 -11.387 5.941
432 H2 ALA 1 2H ALA 1 -15.599 -10.360 5.490
433 H3 ALA 1 3H ALA 1 -14.776 -10.099 6.944
434 HB1 ALA 1 3HB ALA 1 -13.129 -11.042 3.856
435 HB2 ALA 1 1HB ALA 1 -12.741 -9.400 3.344
436 HB3 ALA 1 2HB ALA 1 -14.408 -9.973 3.282
437 HA PRO 2 HA PRO 2 -14.505 -5.495 6.031
438 HB2 PRO 2 1HB PRO 2 -12.566 -5.021 7.196
439 HB3 PRO 2 2HB PRO 2 -12.265 -4.048 5.751
440 HG2 PRO 2 2HG PRO 2 -10.863 -5.646 4.814
441 HG3 PRO 2 1HG PRO 2 -10.510 -5.889 6.534
442 HD2 PRO 2 2HD PRO 2 -11.386 -7.877 4.873
443 HD3 PRO 2 1HD PRO 2 -11.685 -7.856 6.622
444 HA PRO 3 HA PRO 3 -15.010 -4.758 1.585
445 HB2 PRO 3 1HB PRO 3 -17.279 -4.738 1.967
446 HB3 PRO 3 2HB PRO 3 -17.054 -2.992 1.813
447 HG2 PRO 3 2HG PRO 3 -17.006 -2.670 4.118
448 HG3 PRO 3 1HG PRO 3 -18.154 -4.018 4.003
449 HD2 PRO 3 2HD PRO 3 -15.932 -4.142 5.533
450 HD3 PRO 3 1HD PRO 3 -16.598 -5.569 4.713
451 H GLY 4 HN GLY 4 -12.923 -3.677 1.501
452 HA2 GLY 4 2HA GLY 4 -12.890 -1.181 0.462
453 HA3 GLY 4 1HA GLY 4 -12.779 -0.871 2.185
454 H THR 5 HN THR 5 -11.293 -2.963 -0.277
455 HA THR 5 HA THR 5 -8.661 -2.076 0.528
456 HB THR 5 HB THR 5 -8.993 -3.909 2.089
457 HG1 THR 5 HG1 THR 5 -8.017 -3.444 0.835
458 1HG2 THR 5 1HG2 THR 5 -9.450 -5.806 2.753
459 2HG2 THR 5 2HG2 THR 5 -9.152 -7.008 1.498
460 3HG2 THR 5 3HG2 THR 5 -9.949 -5.487 1.092
461 H ALA 6 HN ALA 6 -6.940 -3.269 -0.820
462 HA ALA 6 HA ALA 6 -7.662 -4.486 -3.269
463 HB1 ALA 6 3HB ALA 6 -8.352 -2.015 -3.564
464 HB2 ALA 6 1HB ALA 6 -7.414 -2.791 -4.840
465 HB3 ALA 6 2HB ALA 6 -6.621 -1.712 -3.697
466 H ARG 7 HN ARG 7 -5.478 -3.567 -4.840
467 HA ARG 7 HA ARG 7 -3.124 -4.065 -3.171
468 HE ARG 7 HE ARG 7 -1.643 -7.566 -4.935
469 HB2 ARG 7 2HB ARG 7 -3.979 -5.714 -5.542
470 HB3 ARG 7 1HB ARG 7 -2.312 -5.668 -4.985
471 HG2 ARG 7 2HG ARG 7 -2.934 -6.585 -2.860
472 HG3 ARG 7 1HG ARG 7 -4.647 -6.477 -3.271
473 HD2 ARG 7 2HD ARG 7 -3.651 -8.761 -3.501
474 HD3 ARG 7 1HD ARG 7 -4.429 -8.141 -4.955
475 HH11 ARG 7 1HH1 ARG 7 -3.961 -10.102 -5.506
476 HH12 ARG 7 2HH1 ARG 7 -2.938 -10.968 -6.604
477 HH21 ARG 7 2HH2 ARG 7 -0.850 -10.168 -7.100
478 HH22 ARG 7 1HH2 ARG 7 -0.290 -8.695 -6.384
479 H ARG 8 HN ARG 8 -1.378 -2.906 -3.749
480 HA ARG 8 HA ARG 8 -1.664 -0.982 -5.864
481 HE ARG 8 HE ARG 8 -1.452 -0.299 -0.726
482 HB2 ARG 8 2HB ARG 8 0.842 -1.470 -4.276
483 HB3 ARG 8 1HB ARG 8 0.271 0.035 -4.992
484 HG2 ARG 8 2HG ARG 8 -0.527 0.548 -2.983
485 HG3 ARG 8 1HG ARG 8 -1.750 -0.680 -3.267
486 HD2 ARG 8 2HD ARG 8 -0.172 -2.362 -2.297
487 HD3 ARG 8 1HD ARG 8 0.870 -1.018 -1.830
488 HH11 ARG 8 1HH1 ARG 8 0.272 -3.331 -0.683
489 HH12 ARG 8 2HH1 ARG 8 -0.369 -3.816 0.850
490 HH21 ARG 8 2HH2 ARG 8 -1.830 -2.456 1.969
491 HH22 ARG 8 1HH2 ARG 8 -2.303 -0.937 1.284
492 H LYS 9 HN LYS 9 0.147 -3.963 -5.379
493 HA LYS 9 HA LYS 9 0.661 -4.095 -8.209
494 HB2 LYS 9 2HB LYS 9 2.945 -3.900 -6.239
495 HB3 LYS 9 1HB LYS 9 3.128 -4.421 -7.907
496 HG2 LYS 9 2HG LYS 9 2.137 -2.200 -8.581
497 HG3 LYS 9 1HG LYS 9 2.322 -1.711 -6.895
498 HD2 LYS 9 2HD LYS 9 4.713 -2.092 -7.014
499 HD3 LYS 9 1HD LYS 9 4.560 -2.698 -8.664
500 HE2 LYS 9 2HE LYS 9 3.642 -0.464 -9.310
501 HE3 LYS 9 1HE LYS 9 4.034 0.104 -7.688
502 HZ1 LYS 9 3HZ LYS 9 5.965 -0.933 -9.692
503 HZ2 LYS 9 1HZ LYS 9 6.361 -0.454 -8.118
504 HZ3 LYS 9 2HZ LYS 9 5.780 0.683 -9.227
505 H ARG 10 HN ARG 10 2.441 -6.146 -8.368
506 HA ARG 10 HA ARG 10 0.952 -8.413 -7.870
507 HE ARG 10 HE ARG 10 6.819 -7.340 -7.882
508 HB2 ARG 10 2HB ARG 10 3.111 -9.652 -8.177
509 HB3 ARG 10 1HB ARG 10 2.763 -8.474 -9.437
510 HG2 ARG 10 2HG ARG 10 4.386 -6.990 -8.669
511 HG3 ARG 10 1HG ARG 10 4.478 -7.765 -7.087
512 HD2 ARG 10 2HD ARG 10 5.431 -9.776 -8.197
513 HD3 ARG 10 1HD ARG 10 5.439 -8.887 -9.719
514 HH11 ARG 10 1HH1 ARG 10 7.135 -10.478 -9.361
515 HH12 ARG 10 2HH1 ARG 10 8.865 -10.492 -9.265
516 HH21 ARG 10 2HH2 ARG 10 9.979 -8.719 -8.348
517 HH22 ARG 10 1HH2 ARG 10 9.098 -7.352 -7.749
518 H LYS 11 HN LYS 11 2.936 -6.617 -5.689
519 HA LYS 11 HA LYS 11 3.106 -6.761 -3.410
520 HB2 LYS 11 2HB LYS 11 1.834 -9.494 -3.487
521 HB3 LYS 11 1HB LYS 11 1.932 -8.383 -2.132
522 HG2 LYS 11 2HG LYS 11 0.208 -8.161 -4.580
523 HG3 LYS 11 1HG LYS 11 -0.297 -8.326 -2.898
524 HD2 LYS 11 2HD LYS 11 1.180 -5.954 -4.034
525 HD3 LYS 11 1HD LYS 11 -0.563 -6.026 -3.768
526 HE2 LYS 11 2HE LYS 11 1.542 -6.331 -1.631
527 HE3 LYS 11 1HE LYS 11 0.631 -4.858 -1.957
528 HZ1 LYS 11 3HZ LYS 11 -0.548 -7.453 -1.120
529 HZ2 LYS 11 1HZ LYS 11 -1.402 -6.019 -1.398
530 HZ3 LYS 11 2HZ LYS 11 -0.307 -6.116 -0.112
531 H ALA 12 HN ALA 12 5.322 -6.833 -3.652
532 HA ALA 12 HA ALA 12 6.850 -9.062 -4.367
533 HB1 ALA 12 3HB ALA 12 7.628 -6.696 -4.314
534 HB2 ALA 12 1HB ALA 12 8.744 -7.844 -3.575
535 HB3 ALA 12 2HB ALA 12 7.729 -6.824 -2.558
536 H ASP 13 HN ASP 13 5.149 -8.484 -1.462
537 HA ASP 13 HA ASP 13 6.829 -10.439 -0.042
538 HB2 ASP 13 2HB ASP 13 5.931 -9.563 2.033
539 HB3 ASP 13 1HB ASP 13 6.576 -8.239 1.069
540 H SER 14 HN SER 14 3.667 -9.837 -1.311
541 HA SER 14 HA SER 14 1.726 -11.045 -1.308
542 HG SER 14 HG SER 14 1.575 -13.902 -2.623
543 HB2 SER 14 2HB SER 14 3.129 -12.508 -2.673
544 HB3 SER 14 1HB SER 14 3.736 -13.309 -1.224
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 8.219 3.263 -7.136
2 H2 GLY 1 2H GLY 1 8.624 2.402 -5.737
3 H3 GLY 1 3H GLY 1 8.422 1.585 -7.204
4 HA2 GLY 1 1HA GLY 1 10.777 1.854 -6.601
5 HA3 GLY 1 2HA GLY 1 10.356 2.588 -8.140
6 H SER 2 HN SER 2 9.541 3.928 -4.985
7 HA SER 2 HA SER 2 11.681 5.622 -4.556
8 HG SER 2 HG SER 2 11.224 8.680 -5.989
9 HB2 SER 2 2HB SER 2 11.333 6.661 -6.680
10 HB3 SER 2 1HB SER 2 9.602 6.818 -6.388
11 H GLN 3 HN GLN 3 8.202 5.230 -4.482
12 HA GLN 3 HA GLN 3 7.951 6.904 -2.133
13 HB2 GLN 3 2HB GLN 3 5.943 5.308 -3.682
14 HB3 GLN 3 1HB GLN 3 5.542 6.265 -2.269
15 HG2 GLN 3 2HG GLN 3 4.993 7.465 -4.294
16 HG3 GLN 3 1HG GLN 3 6.297 8.280 -3.431
17 HE21 GLN 3 2HE2 GLN 3 7.853 8.507 -6.539
18 HE22 GLN 3 1HE2 GLN 3 7.025 9.330 -5.266
19 H VAL 4 HN VAL 4 7.604 6.175 -0.074
20 HA VAL 4 HA VAL 4 8.259 3.381 0.385
21 HB VAL 4 HB VAL 4 7.712 5.238 2.652
22 HG11 VAL 4 1HG1 VAL 4 9.868 3.183 2.203
23 HG12 VAL 4 2HG1 VAL 4 8.321 2.861 2.978
24 HG13 VAL 4 3HG1 VAL 4 9.461 3.980 3.724
25 HG21 VAL 4 3HG2 VAL 4 10.119 5.416 0.853
26 HG22 VAL 4 1HG2 VAL 4 10.109 6.014 2.513
27 HG23 VAL 4 2HG2 VAL 4 9.013 6.708 1.318
28 H PHE 5 HN PHE 5 5.874 3.471 -0.785
29 HA PHE 5 HA PHE 5 4.213 2.101 0.988
30 1HB PHE 5 2HB PHE 5 2.321 3.913 0.913
31 2HB PHE 5 1HB PHE 5 3.578 4.000 2.140
32 HD1 PHE 5 HD1 PHE 5 3.270 4.409 2.441
33 HD2 PHE 5 HD2 PHE 5 4.438 6.583 -1.026
34 HE1 PHE 5 HE1 PHE 5 5.470 4.840 3.456
35 HE2 PHE 5 HE2 PHE 5 6.639 7.019 -0.016
36 HZ PHE 5 HZ PHE 5 4.560 9.056 -0.491
37 H GLU 6 HN GLU 6 1.824 2.131 0.014
38 HA GLU 6 HA GLU 6 1.696 2.364 -2.842
39 HB2 GLU 6 2HB GLU 6 2.803 0.242 -2.771
40 HB3 GLU 6 1HB GLU 6 1.754 -0.339 -1.483
41 HG2 GLU 6 2HG GLU 6 1.138 -1.369 -3.565
42 HG3 GLU 6 1HG GLU 6 -0.149 -0.282 -3.045
43 H TYR 7 HN TYR 7 -0.359 3.018 -3.285
44 HA TYR 7 HA TYR 7 -2.366 2.727 -1.227
45 HD1 TYR 7 HD1 TYR 7 -0.385 4.782 -4.201
46 HD2 TYR 7 HD2 TYR 7 -4.518 3.916 -4.717
47 HE1 TYR 7 HE1 TYR 7 -0.137 5.072 -6.629
48 HE2 TYR 7 HE2 TYR 7 -4.281 4.202 -7.147
49 HH TYR 7 HH TYR 7 -1.244 4.398 -8.687
50 HB2 TYR 7 2HB TYR 7 -3.652 4.312 -2.543
51 HB3 TYR 7 1HB TYR 7 -2.016 4.907 -2.307
52 H ALA 8 HN ALA 8 -3.354 0.793 -1.183
53 HA ALA 8 HA ALA 8 -4.060 -0.511 -3.701
54 HB1 ALA 8 3HB ALA 8 -4.917 -1.586 -1.064
55 HB2 ALA 8 1HB ALA 8 -3.202 -1.627 -1.472
56 HB3 ALA 8 2HB ALA 8 -4.375 -2.443 -2.506
57 H GLU 9 HN GLU 9 -5.369 1.714 -3.814
58 HA GLU 9 HA GLU 9 -8.055 1.279 -2.737
59 HB2 GLU 9 2HB GLU 9 -7.710 3.286 -1.858
60 HB3 GLU 9 1HB GLU 9 -6.251 3.515 -2.792
61 HG2 GLU 9 2HG GLU 9 -9.021 4.092 -3.774
62 HG3 GLU 9 1HG GLU 9 -7.932 5.278 -3.081
63 H VAL 10 HN VAL 10 -9.829 1.645 -3.913
64 HA VAL 10 HA VAL 10 -9.481 1.258 -6.726
65 HB VAL 10 HB VAL 10 -12.038 1.297 -5.232
66 HG11 VAL 10 1HG1 VAL 10 -11.699 1.384 -7.889
67 HG12 VAL 10 2HG1 VAL 10 -13.072 0.599 -7.115
68 HG13 VAL 10 3HG1 VAL 10 -11.687 -0.361 -7.634
69 HG21 VAL 10 3HG2 VAL 10 -11.876 -1.146 -5.123
70 HG22 VAL 10 1HG2 VAL 10 -10.572 -0.358 -4.234
71 HG23 VAL 10 2HG2 VAL 10 -10.265 -1.051 -5.827
72 H ASP 11 HN ASP 11 -10.682 3.624 -4.506
73 HA ASP 11 HA ASP 11 -10.796 5.553 -6.711
74 HB2 ASP 11 2HB ASP 11 -13.107 4.799 -6.166
75 HB3 ASP 11 1HB ASP 11 -12.871 5.376 -4.522
76 H GLU 12 HN GLU 12 -10.599 5.033 -3.205
77 HA GLU 12 HA GLU 12 -8.853 7.313 -2.940
78 HB2 GLU 12 2HB GLU 12 -11.637 7.408 -1.794
79 HB3 GLU 12 1HB GLU 12 -10.325 8.380 -1.150
80 HG2 GLU 12 2HG GLU 12 -11.305 8.464 -3.993
81 HG3 GLU 12 1HG GLU 12 -11.746 9.610 -2.729
82 H ILE 13 HN ILE 13 -7.935 7.572 -0.826
83 HA ILE 13 HA ILE 13 -8.225 5.197 0.904
84 HB ILE 13 HB ILE 13 -5.818 5.132 1.306
85 HG12 ILE 13 2HG1 ILE 13 -5.514 7.655 1.097
86 HG13 ILE 13 1HG1 ILE 13 -4.259 6.682 0.334
87 HG21 ILE 13 1HG2 ILE 13 -6.048 3.815 -0.515
88 HG22 ILE 13 2HG2 ILE 13 -5.126 5.096 -1.296
89 HG23 ILE 13 3HG2 ILE 13 -6.881 5.069 -1.431
90 HD11 ILE 13 3HD1 ILE 13 -4.599 7.799 -1.541
91 HD12 ILE 13 1HD1 ILE 13 -5.958 8.663 -0.821
92 HD13 ILE 13 2HD1 ILE 13 -6.224 7.114 -1.626
93 H VAL 14 HN VAL 14 -6.485 6.042 2.947
94 HA VAL 14 HA VAL 14 -7.193 8.763 3.665
95 HB VAL 14 HB VAL 14 -8.088 8.131 5.861
96 HG11 VAL 14 1HG1 VAL 14 -9.646 7.086 3.522
97 HG12 VAL 14 2HG1 VAL 14 -9.600 8.756 4.087
98 HG13 VAL 14 3HG1 VAL 14 -10.322 7.504 5.098
99 HG21 VAL 14 3HG2 VAL 14 -9.084 5.692 5.818
100 HG22 VAL 14 1HG2 VAL 14 -7.494 6.057 6.482
101 HG23 VAL 14 2HG2 VAL 14 -7.639 5.421 4.855
102 H GLU 15 HN GLU 15 -5.812 5.748 4.894
103 HA GLU 15 HA GLU 15 -3.685 7.326 6.192
104 HB2 GLU 15 2HB GLU 15 -4.948 5.771 7.653
105 HB3 GLU 15 1HB GLU 15 -4.446 4.429 6.634
106 HG2 GLU 15 2HG GLU 15 -3.101 4.560 8.650
107 HG3 GLU 15 1HG GLU 15 -2.121 4.839 7.211
108 H LYS 16 HN LYS 16 -1.584 7.121 5.486
109 HA LYS 16 HA LYS 16 -0.910 4.875 3.753
110 HB2 LYS 16 2HB LYS 16 -0.052 6.424 1.986
111 HB3 LYS 16 1HB LYS 16 -1.800 6.432 2.175
112 HG2 LYS 16 2HG LYS 16 -1.503 8.478 3.632
113 HG3 LYS 16 1HG LYS 16 0.165 8.523 3.057
114 HD2 LYS 16 2HD LYS 16 -2.333 8.691 1.379
115 HD3 LYS 16 1HD LYS 16 -1.181 9.989 1.700
116 HE2 LYS 16 2HE LYS 16 -0.512 7.414 0.289
117 HE3 LYS 16 1HE LYS 16 -0.904 8.926 -0.530
118 HZ1 LYS 16 3HZ LYS 16 1.370 8.524 1.341
119 HZ2 LYS 16 1HZ LYS 16 1.005 9.956 0.516
120 HZ3 LYS 16 2HZ LYS 16 1.490 8.583 -0.345
121 H ARG 17 HN ARG 17 0.676 4.300 5.377
122 HA ARG 17 HA ARG 17 3.151 5.767 5.093
123 HE ARG 17 HE ARG 17 0.591 7.743 8.108
124 HB2 ARG 17 2HB ARG 17 3.495 6.031 7.529
125 HB3 ARG 17 1HB ARG 17 2.162 6.991 6.908
126 HG2 ARG 17 2HG ARG 17 0.594 5.245 7.727
127 HG3 ARG 17 1HG ARG 17 1.967 4.438 8.483
128 HD2 ARG 17 2HD ARG 17 0.860 5.788 10.129
129 HD3 ARG 17 1HD ARG 17 2.429 6.500 9.763
130 HH11 ARG 17 1HH1 ARG 17 1.155 7.400 11.527
131 HH12 ARG 17 2HH1 ARG 17 0.455 8.932 11.930
132 HH21 ARG 17 2HH2 ARG 17 -0.391 10.278 10.282
133 HH22 ARG 17 1HH2 ARG 17 -0.335 9.768 8.628
134 H GLY 18 HN GLY 18 4.038 3.846 4.176
135 HA2 GLY 18 2HA GLY 18 4.709 1.871 6.210
136 HA3 GLY 18 1HA GLY 18 3.757 1.286 4.872
137 H LYS 19 HN LYS 19 5.029 0.006 3.825
138 HA LYS 19 HA LYS 19 7.719 0.882 3.073
139 HB2 LYS 19 2HB LYS 19 6.463 -1.801 3.532
140 HB3 LYS 19 1HB LYS 19 8.042 -1.628 2.769
141 HG2 LYS 19 2HG LYS 19 8.925 -0.568 4.749
142 HG3 LYS 19 1HG LYS 19 7.333 -0.633 5.516
143 HD2 LYS 19 2HD LYS 19 7.361 -3.042 5.424
144 HD3 LYS 19 1HD LYS 19 8.911 -3.016 4.587
145 HE2 LYS 19 2HE LYS 19 8.390 -1.986 7.376
146 HE3 LYS 19 1HE LYS 19 9.176 -3.513 6.978
147 HZ1 LYS 19 3HZ LYS 19 10.943 -2.275 5.886
148 HZ2 LYS 19 1HZ LYS 19 10.791 -1.798 7.502
149 HZ3 LYS 19 2HZ LYS 19 10.187 -0.812 6.267
150 H GLY 20 HN GLY 20 6.936 -1.809 1.276
151 HA2 GLY 20 2HA GLY 20 6.245 -0.179 -1.029
152 HA3 GLY 20 1HA GLY 20 6.826 -1.846 -1.051
153 H LYS 21 HN LYS 21 5.336 -2.925 0.848
154 HA LYS 21 HA LYS 21 2.534 -2.608 0.046
155 HB2 LYS 21 2HB LYS 21 4.068 -5.200 0.279
156 HB3 LYS 21 1HB LYS 21 2.327 -5.088 0.059
157 HG2 LYS 21 2HG LYS 21 4.435 -4.120 -1.861
158 HG3 LYS 21 1HG LYS 21 3.439 -5.566 -2.041
159 HD2 LYS 21 2HD LYS 21 1.435 -4.205 -2.173
160 HD3 LYS 21 1HD LYS 21 2.384 -2.743 -1.897
161 HE2 LYS 21 2HE LYS 21 2.660 -4.604 -4.255
162 HE3 LYS 21 1HE LYS 21 1.840 -3.044 -4.269
163 HZ1 LYS 21 3HZ LYS 21 3.965 -2.003 -3.666
164 HZ2 LYS 21 1HZ LYS 21 4.051 -2.816 -5.148
165 HZ3 LYS 21 2HZ LYS 21 4.729 -3.509 -3.763
166 H ASP 22 HN ASP 22 4.674 -2.483 2.569
167 HA ASP 22 HA ASP 22 3.060 -3.809 4.527
168 HB2 ASP 22 2HB ASP 22 5.630 -3.725 4.530
169 HB3 ASP 22 1HB ASP 22 5.432 -2.087 5.129
170 H VAL 23 HN VAL 23 2.574 -1.166 2.990
171 HA VAL 23 HA VAL 23 1.995 0.656 5.150
172 HB VAL 23 HB VAL 23 3.033 1.455 3.088
173 HG11 VAL 23 1HG1 VAL 23 2.407 0.679 1.101
174 HG12 VAL 23 2HG1 VAL 23 0.758 1.257 1.345
175 HG13 VAL 23 3HG1 VAL 23 1.221 -0.340 1.911
176 HG21 VAL 23 3HG2 VAL 23 1.634 3.346 2.727
177 HG22 VAL 23 1HG2 VAL 23 1.426 2.867 4.407
178 HG23 VAL 23 2HG2 VAL 23 0.192 2.455 3.219
179 H GLU 24 HN GLU 24 -0.073 1.280 5.694
180 HA GLU 24 HA GLU 24 -2.176 -0.478 4.655
181 HB2 GLU 24 2HB GLU 24 -3.448 0.134 6.682
182 HB3 GLU 24 1HB GLU 24 -1.939 -0.696 7.028
183 HG2 GLU 24 2HG GLU 24 -0.894 1.500 7.502
184 HG3 GLU 24 1HG GLU 24 -2.470 2.256 7.274
185 H TYR 25 HN TYR 25 -3.544 0.387 3.289
186 HA TYR 25 HA TYR 25 -4.022 3.252 3.358
187 HD1 TYR 25 HD1 TYR 25 -3.945 4.772 0.306
188 HD2 TYR 25 HD2 TYR 25 -1.346 1.751 1.757
189 HE1 TYR 25 HE1 TYR 25 -1.999 6.159 -0.262
190 HE2 TYR 25 HE2 TYR 25 0.601 3.126 1.199
191 HH TYR 25 HH TYR 25 0.351 6.410 0.408
192 HB2 TYR 25 2HB TYR 25 -3.773 1.299 1.128
193 HB3 TYR 25 1HB TYR 25 -4.833 2.687 0.914
194 H LEU 26 HN LEU 26 -6.191 3.549 1.990
195 HA LEU 26 HA LEU 26 -8.252 1.791 3.090
196 HG LEU 26 HG LEU 26 -10.526 3.119 3.006
197 HB2 LEU 26 2HB LEU 26 -8.406 3.730 4.431
198 HB3 LEU 26 1HB LEU 26 -8.113 4.799 3.070
199 HD11 LEU 26 1HD1 LEU 26 -10.761 5.671 4.454
200 HD12 LEU 26 2HD1 LEU 26 -10.241 4.233 5.326
201 HD13 LEU 26 3HD1 LEU 26 -11.797 4.251 4.499
202 HD21 LEU 26 3HD2 LEU 26 -11.460 5.252 2.036
203 HD22 LEU 26 1HD2 LEU 26 -10.234 4.408 1.092
204 HD23 LEU 26 2HD2 LEU 26 -9.799 5.832 2.034
205 H VAL 27 HN VAL 27 -10.238 1.758 1.749
206 HA VAL 27 HA VAL 27 -9.807 2.918 -0.881
207 HB VAL 27 HB VAL 27 -9.731 1.113 -2.089
208 HG11 VAL 27 1HG1 VAL 27 -8.508 -0.768 -0.979
209 HG12 VAL 27 2HG1 VAL 27 -8.762 0.072 0.549
210 HG13 VAL 27 3HG1 VAL 27 -7.823 0.836 -0.733
211 HG21 VAL 27 3HG2 VAL 27 -11.515 -0.267 -0.115
212 HG22 VAL 27 1HG2 VAL 27 -10.677 -1.173 -1.373
213 HG23 VAL 27 2HG2 VAL 27 -11.818 0.098 -1.811
214 H ARG 28 HN ARG 28 -11.431 4.115 -1.303
215 HA ARG 28 HA ARG 28 -14.103 3.469 -0.371
216 HE ARG 28 HE ARG 28 -17.286 7.145 -0.600
217 HB2 ARG 28 2HB ARG 28 -13.038 5.874 -0.460
218 HB3 ARG 28 1HB ARG 28 -13.399 5.764 -2.177
219 HG2 ARG 28 2HG ARG 28 -15.766 5.403 -1.649
220 HG3 ARG 28 1HG ARG 28 -15.393 5.572 0.067
221 HD2 ARG 28 2HD ARG 28 -14.607 7.849 -0.319
222 HD3 ARG 28 1HD ARG 28 -14.936 7.679 -2.043
223 HH11 ARG 28 1HH1 ARG 28 -15.173 9.791 -1.408
224 HH12 ARG 28 2HH1 ARG 28 -16.425 10.986 -1.323
225 HH21 ARG 28 2HH2 ARG 28 -18.567 10.372 -0.796
226 HH22 ARG 28 1HH2 ARG 28 -18.942 8.710 -0.484
227 H TRP 29 HN TRP 29 -13.704 1.519 -1.579
228 HA TRP 29 HA TRP 29 -13.226 0.866 -4.027
229 HD1 TRP 29 HD1 TRP 29 -13.613 -0.558 -5.675
230 HE1 TRP 29 HE1 TRP 29 -14.644 -2.481 -7.044
231 HE3 TRP 29 HE3 TRP 29 -17.248 -2.054 -2.392
232 HZ2 TRP 29 HZ2 TRP 29 -16.713 -4.378 -6.771
233 HZ3 TRP 29 HZ3 TRP 29 -18.704 -3.931 -3.025
234 HH2 TRP 29 HH2 TRP 29 -18.444 -5.066 -5.170
235 HB2 TRP 29 2HB TRP 29 -14.219 -0.615 -2.377
236 HB3 TRP 29 1HB TRP 29 -15.778 0.150 -2.648
237 H LYS 30 HN LYS 30 -13.346 2.577 -5.416
238 HA LYS 30 HA LYS 30 -15.104 4.289 -6.312
239 HB2 LYS 30 2HB LYS 30 -13.019 3.478 -7.533
240 HB3 LYS 30 1HB LYS 30 -14.056 2.296 -8.315
241 HG2 LYS 30 2HG LYS 30 -15.395 4.070 -9.288
242 HG3 LYS 30 1HG LYS 30 -14.412 5.282 -8.463
243 HD2 LYS 30 2HD LYS 30 -12.448 4.564 -9.707
244 HD3 LYS 30 1HD LYS 30 -13.391 3.298 -10.495
245 HE2 LYS 30 2HE LYS 30 -13.101 5.242 -11.952
246 HE3 LYS 30 1HE LYS 30 -14.797 4.978 -11.552
247 HZ1 LYS 30 3HZ LYS 30 -14.217 7.312 -11.410
248 HZ2 LYS 30 1HZ LYS 30 -13.005 6.976 -10.278
249 HZ3 LYS 30 2HZ LYS 30 -14.630 6.720 -9.880
250 H ASP 31 HN ASP 31 -15.634 0.826 -6.749
251 HA ASP 31 HA ASP 31 -18.397 1.430 -7.583
252 HB2 ASP 31 2HB ASP 31 -18.398 -0.722 -8.793
253 HB3 ASP 31 1HB ASP 31 -17.161 0.369 -9.409
254 H GLY 32 HN GLY 32 -18.211 1.525 -5.032
255 HA2 GLY 32 2HA GLY 32 -19.237 -1.057 -4.072
256 HA3 GLY 32 1HA GLY 32 -17.942 -0.266 -3.180
257 H GLY 33 HN GLY 33 -19.119 -0.010 -1.319
258 HA2 GLY 33 2HA GLY 33 -21.006 2.223 -1.380
259 HA3 GLY 33 1HA GLY 33 -21.577 0.707 -0.696
260 H ASP 34 HN ASP 34 -19.335 -0.158 0.660
261 HA ASP 34 HA ASP 34 -19.206 1.817 2.820
262 HB2 ASP 34 2HB ASP 34 -18.471 -1.120 2.845
263 HB3 ASP 34 1HB ASP 34 -18.522 -0.051 4.245
264 H CYS 35 HN CYS 35 -17.063 1.679 4.110
265 HA CYS 35 HA CYS 35 -14.826 1.710 2.191
266 HG CYS 35 HG CYS 35 -14.817 5.352 2.049
267 HB2 CYS 35 2HB CYS 35 -15.216 3.485 4.609
268 HB3 CYS 35 1HB CYS 35 -13.828 3.516 3.528
269 H GLU 36 HN GLU 36 -12.943 0.730 2.753
270 HA GLU 36 HA GLU 36 -12.672 -0.343 5.468
271 HB2 GLU 36 2HB GLU 36 -12.352 -1.972 2.942
272 HB3 GLU 36 1HB GLU 36 -11.955 -2.529 4.559
273 HG2 GLU 36 2HG GLU 36 -14.705 -1.660 3.714
274 HG3 GLU 36 1HG GLU 36 -14.141 -3.331 3.678
275 H TRP 37 HN TRP 37 -10.370 -1.545 5.511
276 HA TRP 37 HA TRP 37 -8.465 0.380 4.369
277 HD1 TRP 37 HD1 TRP 37 -9.029 2.234 5.496
278 HE1 TRP 37 HE1 TRP 37 -9.983 3.676 7.404
279 HE3 TRP 37 HE3 TRP 37 -8.347 -1.012 9.386
280 HZ2 TRP 37 HZ2 TRP 37 -10.389 3.466 10.192
281 HZ3 TRP 37 HZ3 TRP 37 -9.041 -0.314 11.641
282 HH2 TRP 37 HH2 TRP 37 -10.041 1.878 12.034
283 HB2 TRP 37 2HB TRP 37 -8.272 -1.265 6.894
284 HB3 TRP 37 1HB TRP 37 -7.016 -0.197 6.284
285 H VAL 38 HN VAL 38 -6.408 -0.380 3.682
286 HA VAL 38 HA VAL 38 -6.484 -3.060 2.552
287 HB VAL 38 HB VAL 38 -4.238 -1.067 2.293
288 HG11 VAL 38 1HG1 VAL 38 -3.612 -2.271 0.365
289 HG12 VAL 38 2HG1 VAL 38 -5.113 -3.196 0.367
290 HG13 VAL 38 3HG1 VAL 38 -3.908 -3.466 1.624
291 HG21 VAL 38 3HG2 VAL 38 -6.441 -1.308 0.287
292 HG22 VAL 38 1HG2 VAL 38 -5.248 -0.027 0.478
293 HG23 VAL 38 2HG2 VAL 38 -6.566 -0.187 1.640
294 H LYS 39 HN LYS 39 -4.816 -4.616 2.898
295 HA LYS 39 HA LYS 39 -3.942 -4.753 5.589
296 HB2 LYS 39 2HB LYS 39 -4.497 -6.778 4.351
297 HB3 LYS 39 1HB LYS 39 -3.195 -6.459 3.213
298 HG2 LYS 39 2HG LYS 39 -1.541 -6.815 4.914
299 HG3 LYS 39 1HG LYS 39 -2.789 -6.960 6.153
300 HD2 LYS 39 2HD LYS 39 -3.642 -8.974 5.078
301 HD3 LYS 39 1HD LYS 39 -2.436 -8.817 3.799
302 HE2 LYS 39 2HE LYS 39 -1.823 -9.192 6.728
303 HE3 LYS 39 1HE LYS 39 -1.806 -10.475 5.518
304 HZ1 LYS 39 3HZ LYS 39 0.413 -9.599 5.964
305 HZ2 LYS 39 1HZ LYS 39 -0.080 -8.057 5.471
306 HZ3 LYS 39 2HZ LYS 39 -0.041 -9.330 4.358
307 H GLY 40 HN GLY 40 -2.646 -3.025 6.039
308 HA2 GLY 40 2HA GLY 40 -0.227 -2.640 4.481
309 HA3 GLY 40 1HA GLY 40 -0.781 -1.624 5.798
310 H VAL 41 HN VAL 41 -0.261 -5.118 5.749
311 HA VAL 41 HA VAL 41 1.861 -4.752 7.770
312 HB VAL 41 HB VAL 41 0.523 -7.385 7.529
313 HG11 VAL 41 1HG1 VAL 41 2.372 -7.060 9.064
314 HG12 VAL 41 2HG1 VAL 41 0.890 -7.417 9.950
315 HG13 VAL 41 3HG1 VAL 41 1.494 -5.762 9.875
316 HG21 VAL 41 3HG2 VAL 41 -1.403 -5.875 7.501
317 HG22 VAL 41 1HG2 VAL 41 -0.797 -5.067 8.947
318 HG23 VAL 41 2HG2 VAL 41 -1.310 -6.752 9.028
319 H HIS 42 HN HIS 42 1.651 -5.143 4.649
320 HA HIS 42 HA HIS 42 3.125 -7.577 4.312
321 HD1 HIS 42 HD1 HIS 42 3.998 -8.493 1.352
322 HD2 HIS 42 HD2 HIS 42 -0.008 -8.232 2.427
323 HE1 HIS 42 HE1 HIS 42 2.972 -10.684 0.663
324 HE2 HIS 42 HE2 HIS 42 0.567 -10.534 1.399
325 HB2 HIS 42 2HB HIS 42 1.507 -5.962 2.646
326 HB3 HIS 42 1HB HIS 42 3.114 -6.042 1.917
327 H VAL 43 HN VAL 43 4.773 -7.132 5.616
328 HA VAL 43 HA VAL 43 6.636 -5.087 5.381
329 HB VAL 43 HB VAL 43 7.181 -7.934 6.205
330 HG11 VAL 43 1HG1 VAL 43 8.679 -5.374 6.742
331 HG12 VAL 43 2HG1 VAL 43 9.243 -6.764 5.816
332 HG13 VAL 43 3HG1 VAL 43 8.995 -6.905 7.555
333 HG21 VAL 43 3HG2 VAL 43 6.308 -5.560 7.850
334 HG22 VAL 43 1HG2 VAL 43 6.775 -7.136 8.492
335 HG23 VAL 43 2HG2 VAL 43 5.340 -6.986 7.478
336 H ALA 44 HN ALA 44 6.564 -4.931 3.004
337 HA ALA 44 HA ALA 44 8.367 -6.762 1.647
338 HB1 ALA 44 3HB ALA 44 6.259 -5.984 0.546
339 HB2 ALA 44 1HB ALA 44 7.720 -5.662 -0.386
340 HB3 ALA 44 2HB ALA 44 6.941 -4.358 0.509
341 H GLU 45 HN GLU 45 9.710 -5.638 3.574
342 HA GLU 45 HA GLU 45 10.838 -3.164 3.425
343 HB2 GLU 45 2HB GLU 45 12.789 -4.056 4.538
344 HB3 GLU 45 1HB GLU 45 11.357 -4.865 5.159
345 HG2 GLU 45 2HG GLU 45 13.211 -5.996 3.075
346 HG3 GLU 45 1HG GLU 45 13.249 -6.391 4.792
347 H ASP 46 HN ASP 46 11.328 -5.848 1.310
348 HA ASP 46 HA ASP 46 13.661 -4.856 -0.010
349 HB2 ASP 46 2HB ASP 46 11.550 -6.794 -0.982
350 HB3 ASP 46 1HB ASP 46 13.107 -6.515 -1.753
351 H VAL 47 HN VAL 47 10.190 -4.762 -0.777
352 HA VAL 47 HA VAL 47 10.432 -3.367 -3.199
353 HB VAL 47 HB VAL 47 8.142 -3.269 -1.225
354 HG11 VAL 47 1HG1 VAL 47 8.063 -1.442 -2.845
355 HG12 VAL 47 2HG1 VAL 47 6.781 -2.616 -3.146
356 HG13 VAL 47 3HG1 VAL 47 8.221 -2.601 -4.166
357 HG21 VAL 47 3HG2 VAL 47 7.161 -5.057 -2.488
358 HG22 VAL 47 1HG2 VAL 47 8.786 -5.544 -2.008
359 HG23 VAL 47 2HG2 VAL 47 8.478 -5.012 -3.661
360 H ALA 48 HN ALA 48 10.088 -2.260 0.073
361 HA ALA 48 HA ALA 48 9.950 0.520 -0.320
362 HB1 ALA 48 3HB ALA 48 9.122 -0.423 1.711
363 HB2 ALA 48 1HB ALA 48 10.483 0.628 2.101
364 HB3 ALA 48 2HB ALA 48 10.697 -1.123 2.085
365 H LYS 49 HN LYS 49 12.591 -1.531 0.944
366 HA LYS 49 HA LYS 49 14.547 0.477 0.923
367 HB2 LYS 49 2HB LYS 49 14.855 -1.626 2.135
368 HB3 LYS 49 1HB LYS 49 14.878 -2.516 0.620
369 HG2 LYS 49 2HG LYS 49 16.930 -1.392 -0.033
370 HG3 LYS 49 1HG LYS 49 16.899 -0.447 1.455
371 HD2 LYS 49 2HD LYS 49 17.068 -3.456 1.321
372 HD3 LYS 49 1HD LYS 49 18.443 -2.377 1.564
373 HE2 LYS 49 2HE LYS 49 17.383 -1.526 3.616
374 HE3 LYS 49 1HE LYS 49 16.047 -2.651 3.378
375 HZ1 LYS 49 3HZ LYS 49 17.599 -4.487 3.581
376 HZ2 LYS 49 1HZ LYS 49 17.667 -3.503 4.957
377 HZ3 LYS 49 2HZ LYS 49 18.889 -3.412 3.790
378 H ASP 50 HN ASP 50 13.273 -1.587 -1.547
379 HA ASP 50 HA ASP 50 15.295 -0.784 -3.478
380 HB2 ASP 50 2HB ASP 50 14.313 -3.157 -3.276
381 HB3 ASP 50 1HB ASP 50 12.872 -2.486 -4.040
382 H TYR 51 HN TYR 51 12.215 0.194 -2.380
383 HA TYR 51 HA TYR 51 11.326 1.350 -4.799
384 HD1 TYR 51 HD1 TYR 51 10.292 -0.018 -5.243
385 HD2 TYR 51 HD2 TYR 51 7.456 1.562 -2.481
386 HE1 TYR 51 HE1 TYR 51 8.496 -1.235 -6.387
387 HE2 TYR 51 HE2 TYR 51 5.663 0.346 -3.623
388 HH TYR 51 HH TYR 51 5.236 -0.603 -5.896
389 HB2 TYR 51 2HB TYR 51 10.287 1.140 -2.103
390 HB3 TYR 51 1HB TYR 51 9.842 2.617 -2.917
391 H GLU 52 HN GLU 52 11.994 2.766 -1.644
392 HA GLU 52 HA GLU 52 12.558 5.327 -2.851
393 HB2 GLU 52 2HB GLU 52 12.495 6.244 -0.663
394 HB3 GLU 52 1HB GLU 52 11.202 5.057 -0.740
395 HG2 GLU 52 2HG GLU 52 12.540 3.460 0.480
396 HG3 GLU 52 1HG GLU 52 13.912 4.566 0.474
397 H ASP 53 HN ASP 53 14.242 2.898 -0.935
398 HA ASP 53 HA ASP 53 16.748 4.339 -1.102
399 HB2 ASP 53 2HB ASP 53 16.339 3.294 0.985
400 HB3 ASP 53 1HB ASP 53 15.892 1.773 0.226
401 H GLY 54 HN GLY 54 15.087 2.177 -3.084
402 HA2 GLY 54 2HA GLY 54 17.433 0.799 -4.081
403 HA3 GLY 54 1HA GLY 54 15.794 0.647 -4.692
404 H LEU 55 HN LEU 55 15.397 3.499 -5.021
405 HA LEU 55 HA LEU 55 16.683 3.777 -7.596
406 HG LEU 55 HG LEU 55 15.956 6.862 -7.766
407 HB2 LEU 55 2HB LEU 55 14.339 4.334 -7.419
408 HB3 LEU 55 1HB LEU 55 14.669 5.487 -6.139
409 HD11 LEU 55 1HD1 LEU 55 16.547 5.075 -9.325
410 HD12 LEU 55 2HD1 LEU 55 15.730 6.406 -10.145
411 HD13 LEU 55 3HD1 LEU 55 14.853 4.918 -9.788
412 HD21 LEU 55 3HD2 LEU 55 13.639 7.394 -7.266
413 HD22 LEU 55 1HD2 LEU 55 13.094 6.266 -8.507
414 HD23 LEU 55 2HD2 LEU 55 13.993 7.713 -8.964
415 H GLU 56 HN GLU 56 16.249 6.068 -4.896
416 HA GLU 56 HA GLU 56 18.670 7.459 -5.690
417 HB2 GLU 56 2HB GLU 56 18.037 9.078 -3.932
418 HB3 GLU 56 1HB GLU 56 16.744 8.806 -5.093
419 HG2 GLU 56 2HG GLU 56 15.611 7.343 -3.526
420 HG3 GLU 56 1HG GLU 56 16.925 7.541 -2.367
421 H TYR 57 HN TYR 57 19.668 5.209 -5.082
422 HA TYR 57 HA TYR 57 20.224 4.903 -2.257
423 HD1 TYR 57 HD1 TYR 57 20.208 1.953 -1.481
424 HD2 TYR 57 HD2 TYR 57 23.581 3.181 -3.765
425 HE1 TYR 57 HE1 TYR 57 21.683 0.697 0.033
426 HE2 TYR 57 HE2 TYR 57 25.065 1.928 -2.258
427 HH TYR 57 HH TYR 57 23.898 -0.319 0.021
428 HB2 TYR 57 2HB TYR 57 19.926 2.920 -3.683
429 HB3 TYR 57 1HB TYR 57 21.317 3.403 -4.647
430 HA ALA 1 HA ALA 1 -12.583 -9.724 0.384
431 H1 ALA 1 1H ALA 1 -15.154 -10.415 -0.916
432 H2 ALA 1 2H ALA 1 -14.853 -10.478 0.747
433 H3 ALA 1 3H ALA 1 -14.014 -11.505 -0.303
434 HB1 ALA 1 3HB ALA 1 -12.347 -10.621 -1.888
435 HB2 ALA 1 1HB ALA 1 -11.912 -8.914 -1.806
436 HB3 ALA 1 2HB ALA 1 -13.469 -9.395 -2.481
437 HA PRO 2 HA PRO 2 -15.532 -6.283 1.350
438 HB2 PRO 2 1HB PRO 2 -14.953 -5.700 3.499
439 HB3 PRO 2 2HB PRO 2 -13.220 -5.737 3.151
440 HG2 PRO 2 2HG PRO 2 -13.459 -7.725 4.348
441 HG3 PRO 2 1HG PRO 2 -15.093 -8.009 3.717
442 HD2 PRO 2 2HD PRO 2 -12.445 -8.475 2.408
443 HD3 PRO 2 1HD PRO 2 -13.931 -9.445 2.327
444 HA PRO 3 HA PRO 3 -13.499 -3.304 -1.217
445 HB2 PRO 3 1HB PRO 3 -15.557 -2.319 -1.478
446 HB3 PRO 3 2HB PRO 3 -14.829 -1.060 -0.473
447 HG2 PRO 3 2HG PRO 3 -15.833 -1.854 1.469
448 HG3 PRO 3 1HG PRO 3 -17.088 -2.243 0.278
449 HD2 PRO 3 2HD PRO 3 -16.024 -4.112 1.911
450 HD3 PRO 3 1HD PRO 3 -16.550 -4.489 0.256
451 H GLY 4 HN GLY 4 -11.519 -3.689 0.151
452 HA2 GLY 4 2HA GLY 4 -10.754 -1.150 1.409
453 HA3 GLY 4 1HA GLY 4 -10.530 -2.632 2.322
454 H THR 5 HN THR 5 -10.107 -3.041 -1.023
455 HA THR 5 HA THR 5 -7.288 -2.405 -1.033
456 HB THR 5 HB THR 5 -7.162 -4.573 0.011
457 HG1 THR 5 HG1 THR 5 -6.992 -4.981 1.803
458 1HG2 THR 5 1HG2 THR 5 -7.639 -7.130 1.049
459 2HG2 THR 5 2HG2 THR 5 -7.280 -7.523 -0.632
460 3HG2 THR 5 3HG2 THR 5 -8.476 -6.284 -0.253
461 H ALA 6 HN ALA 6 -6.381 -2.304 -3.096
462 HA ALA 6 HA ALA 6 -8.011 -3.158 -5.353
463 HB1 ALA 6 3HB ALA 6 -8.657 -0.798 -4.641
464 HB2 ALA 6 1HB ALA 6 -8.293 -1.074 -6.344
465 HB3 ALA 6 2HB ALA 6 -7.099 -0.315 -5.297
466 H ARG 7 HN ARG 7 -5.298 -0.832 -5.139
467 HA ARG 7 HA ARG 7 -3.997 -1.899 -7.373
468 HE ARG 7 HE ARG 7 -5.551 -0.627 -7.868
469 HB2 ARG 7 2HB ARG 7 -2.830 -0.222 -5.148
470 HB3 ARG 7 1HB ARG 7 -2.063 -0.525 -6.698
471 HG2 ARG 7 2HG ARG 7 -4.692 0.890 -6.308
472 HG3 ARG 7 1HG ARG 7 -3.138 1.674 -6.590
473 HD2 ARG 7 2HD ARG 7 -4.172 1.617 -8.694
474 HD3 ARG 7 1HD ARG 7 -3.013 0.290 -8.725
475 HH11 ARG 7 1HH1 ARG 7 -3.809 0.395 -10.704
476 HH12 ARG 7 2HH1 ARG 7 -4.774 -0.544 -11.794
477 HH21 ARG 7 2HH2 ARG 7 -6.493 -1.829 -10.993
478 HH22 ARG 7 1HH2 ARG 7 -6.830 -1.867 -9.294
479 H ARG 8 HN ARG 8 -1.813 -1.766 -4.639
480 HA ARG 8 HA ARG 8 -0.372 -3.338 -3.847
481 HE ARG 8 HE ARG 8 -2.677 -6.722 -2.246
482 HB2 ARG 8 2HB ARG 8 -3.016 -4.716 -3.951
483 HB3 ARG 8 1HB ARG 8 -1.591 -5.686 -3.596
484 HG2 ARG 8 2HG ARG 8 -1.154 -4.528 -1.616
485 HG3 ARG 8 1HG ARG 8 -2.187 -3.174 -2.076
486 HD2 ARG 8 2HD ARG 8 -3.143 -4.688 -0.323
487 HD3 ARG 8 1HD ARG 8 -4.157 -4.457 -1.746
488 HH11 ARG 8 1HH1 ARG 8 -4.939 -5.672 0.185
489 HH12 ARG 8 2HH1 ARG 8 -5.549 -7.265 0.489
490 HH21 ARG 8 2HH2 ARG 8 -4.715 -9.056 -0.670
491 HH22 ARG 8 1HH2 ARG 8 -3.473 -8.821 -1.855
492 H LYS 9 HN LYS 9 0.665 -5.544 -4.360
493 HA LYS 9 HA LYS 9 0.376 -6.289 -7.167
494 HB2 LYS 9 2HB LYS 9 3.029 -5.460 -5.972
495 HB3 LYS 9 1HB LYS 9 2.780 -6.074 -7.599
496 HG2 LYS 9 2HG LYS 9 1.377 -4.115 -8.100
497 HG3 LYS 9 1HG LYS 9 1.713 -3.490 -6.485
498 HD2 LYS 9 2HD LYS 9 4.104 -3.427 -7.006
499 HD3 LYS 9 1HD LYS 9 3.770 -4.061 -8.618
500 HE2 LYS 9 2HE LYS 9 2.736 -1.451 -7.515
501 HE3 LYS 9 1HE LYS 9 4.097 -1.623 -8.623
502 HZ1 LYS 9 3HZ LYS 9 2.584 -2.598 -10.251
503 HZ2 LYS 9 1HZ LYS 9 2.091 -1.039 -9.812
504 HZ3 LYS 9 2HZ LYS 9 1.282 -2.387 -9.190
505 H ARG 10 HN ARG 10 2.529 -7.969 -7.446
506 HA ARG 10 HA ARG 10 1.753 -10.362 -6.402
507 HE ARG 10 HE ARG 10 7.017 -7.847 -7.668
508 HB2 ARG 10 2HB ARG 10 4.097 -11.127 -6.804
509 HB3 ARG 10 1HB ARG 10 3.401 -10.239 -8.157
510 HG2 ARG 10 2HG ARG 10 4.622 -8.256 -7.546
511 HG3 ARG 10 1HG ARG 10 5.230 -9.040 -6.087
512 HD2 ARG 10 2HD ARG 10 6.474 -10.631 -7.420
513 HD3 ARG 10 1HD ARG 10 5.791 -9.963 -8.903
514 HH11 ARG 10 1HH1 ARG 10 8.010 -10.992 -8.788
515 HH12 ARG 10 2HH1 ARG 10 9.631 -10.495 -9.142
516 HH21 ARG 10 2HH2 ARG 10 10.278 -8.330 -8.769
517 HH22 ARG 10 1HH2 ARG 10 9.149 -7.184 -8.132
518 H LYS 11 HN LYS 11 3.608 -7.873 -4.842
519 HA LYS 11 HA LYS 11 4.144 -7.552 -2.650
520 HB2 LYS 11 2HB LYS 11 3.079 -10.264 -1.928
521 HB3 LYS 11 1HB LYS 11 3.152 -8.809 -0.946
522 HG2 LYS 11 2HG LYS 11 1.460 -7.820 -2.568
523 HG3 LYS 11 1HG LYS 11 1.244 -9.469 -3.161
524 HD2 LYS 11 2HD LYS 11 0.770 -10.156 -0.799
525 HD3 LYS 11 1HD LYS 11 0.771 -8.446 -0.371
526 HE2 LYS 11 2HE LYS 11 -1.500 -9.222 -0.728
527 HE3 LYS 11 1HE LYS 11 -1.049 -8.055 -1.971
528 HZ1 LYS 11 3HZ LYS 11 -2.217 -9.951 -2.910
529 HZ2 LYS 11 1HZ LYS 11 -1.048 -11.009 -2.295
530 HZ3 LYS 11 2HZ LYS 11 -0.629 -9.887 -3.489
531 H ALA 12 HN ALA 12 6.309 -7.587 -2.767
532 HA ALA 12 HA ALA 12 7.913 -9.796 -3.389
533 HB1 ALA 12 3HB ALA 12 8.587 -7.374 -3.451
534 HB2 ALA 12 1HB ALA 12 9.774 -8.470 -2.740
535 HB3 ALA 12 2HB ALA 12 8.773 -7.460 -1.699
536 H ASP 13 HN ASP 13 6.453 -8.802 -0.404
537 HA ASP 13 HA ASP 13 7.925 -10.922 1.018
538 HB2 ASP 13 2HB ASP 13 8.287 -8.697 1.973
539 HB3 ASP 13 1HB ASP 13 6.549 -8.471 2.139
540 H SER 14 HN SER 14 6.404 -12.455 0.081
541 HA SER 14 HA SER 14 3.762 -12.393 1.380
542 HG SER 14 HG SER 14 1.963 -13.570 -0.345
543 HB2 SER 14 2HB SER 14 3.611 -12.388 -1.057
544 HB3 SER 14 1HB SER 14 4.631 -13.824 -1.144
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 9.674 5.835 -7.124
2 H2 GLY 1 2H GLY 1 9.311 5.066 -5.664
3 H3 GLY 1 3H GLY 1 9.680 4.145 -7.034
4 HA2 GLY 1 1HA GLY 1 11.619 4.092 -5.722
5 HA3 GLY 1 2HA GLY 1 11.928 5.205 -7.046
6 H SER 2 HN SER 2 10.146 5.628 -3.962
7 HA SER 2 HA SER 2 12.067 7.087 -2.602
8 HG SER 2 HG SER 2 10.274 10.041 -2.722
9 HB2 SER 2 2HB SER 2 12.137 8.728 -4.300
10 HB3 SER 2 1HB SER 2 10.381 8.779 -4.433
11 H GLN 3 HN GLN 3 8.681 6.514 -3.244
12 HA GLN 3 HA GLN 3 7.833 7.664 -0.734
13 HB2 GLN 3 2HB GLN 3 6.364 7.876 -2.637
14 HB3 GLN 3 1HB GLN 3 6.359 6.139 -2.852
15 HG2 GLN 3 2HG GLN 3 5.213 5.870 -0.712
16 HG3 GLN 3 1HG GLN 3 5.210 7.621 -0.507
17 HE21 GLN 3 2HE2 GLN 3 2.540 8.207 -2.680
18 HE22 GLN 3 1HE2 GLN 3 3.868 8.883 -1.807
19 H VAL 4 HN VAL 4 7.452 6.567 1.117
20 HA VAL 4 HA VAL 4 8.301 3.780 1.189
21 HB VAL 4 HB VAL 4 7.563 5.488 3.554
22 HG11 VAL 4 1HG1 VAL 4 7.760 3.081 3.953
23 HG12 VAL 4 2HG1 VAL 4 9.042 3.979 4.766
24 HG13 VAL 4 3HG1 VAL 4 9.389 3.104 3.275
25 HG21 VAL 4 3HG2 VAL 4 9.950 6.050 3.738
26 HG22 VAL 4 1HG2 VAL 4 9.224 6.701 2.267
27 HG23 VAL 4 2HG2 VAL 4 10.242 5.262 2.186
28 H PHE 5 HN PHE 5 5.950 3.739 -0.070
29 HA PHE 5 HA PHE 5 4.380 1.934 1.204
30 HD1 PHE 5 HD1 PHE 5 4.303 5.283 4.015
31 HD2 PHE 5 HD2 PHE 5 2.786 5.371 0.043
32 HE1 PHE 5 HE1 PHE 5 4.469 7.735 4.012
33 HE2 PHE 5 HE2 PHE 5 2.944 7.828 0.037
34 HZ PHE 5 HZ PHE 5 3.791 9.011 2.020
35 HB2 PHE 5 2HB PHE 5 2.386 3.401 1.910
36 HB3 PHE 5 1HB PHE 5 3.759 3.306 3.001
37 H GLU 6 HN GLU 6 2.212 1.613 0.227
38 HA GLU 6 HA GLU 6 1.759 3.129 -2.241
39 HB2 GLU 6 2HB GLU 6 3.091 1.171 -2.885
40 HB3 GLU 6 1HB GLU 6 1.923 0.110 -2.108
41 HG2 GLU 6 2HG GLU 6 1.598 0.117 -4.499
42 HG3 GLU 6 1HG GLU 6 0.209 0.845 -3.692
43 H TYR 7 HN TYR 7 -0.387 3.193 -2.926
44 HA TYR 7 HA TYR 7 -2.344 2.520 -0.892
45 HD1 TYR 7 HD1 TYR 7 -1.023 5.796 -3.253
46 HD2 TYR 7 HD2 TYR 7 -3.683 2.860 -4.794
47 HE1 TYR 7 HE1 TYR 7 -0.366 6.410 -5.541
48 HE2 TYR 7 HE2 TYR 7 -3.034 3.463 -7.086
49 HH TYR 7 HH TYR 7 -0.350 5.492 -7.760
50 HB2 TYR 7 2HB TYR 7 -3.858 3.813 -2.400
51 HB3 TYR 7 1HB TYR 7 -2.488 4.719 -1.800
52 H ALA 8 HN ALA 8 -3.543 0.796 -0.911
53 HA ALA 8 HA ALA 8 -3.781 -0.724 -3.419
54 HB1 ALA 8 3HB ALA 8 -3.866 -2.673 -2.192
55 HB2 ALA 8 1HB ALA 8 -4.483 -1.866 -0.753
56 HB3 ALA 8 2HB ALA 8 -2.789 -1.691 -1.201
57 H GLU 9 HN GLU 9 -5.398 1.416 -3.376
58 HA GLU 9 HA GLU 9 -8.009 0.459 -2.468
59 HB2 GLU 9 2HB GLU 9 -8.749 2.632 -2.309
60 HB3 GLU 9 1HB GLU 9 -7.089 2.741 -1.762
61 HG2 GLU 9 2HG GLU 9 -8.192 3.530 -4.445
62 HG3 GLU 9 1HG GLU 9 -7.602 4.602 -3.187
63 H VAL 10 HN VAL 10 -9.826 1.458 -3.789
64 HA VAL 10 HA VAL 10 -9.310 0.661 -6.513
65 HB VAL 10 HB VAL 10 -11.925 0.541 -5.125
66 HG11 VAL 10 1HG1 VAL 10 -10.943 -0.725 -7.675
67 HG12 VAL 10 2HG1 VAL 10 -12.084 0.612 -7.551
68 HG13 VAL 10 3HG1 VAL 10 -12.532 -0.986 -6.957
69 HG21 VAL 10 3HG2 VAL 10 -11.486 -1.912 -4.956
70 HG22 VAL 10 1HG2 VAL 10 -10.457 -0.911 -3.931
71 HG23 VAL 10 2HG2 VAL 10 -9.823 -1.583 -5.435
72 H ASP 11 HN ASP 11 -10.202 3.263 -4.588
73 HA ASP 11 HA ASP 11 -10.716 4.871 -6.951
74 HB2 ASP 11 2HB ASP 11 -12.950 4.029 -6.138
75 HB3 ASP 11 1HB ASP 11 -12.665 4.908 -4.641
76 H GLU 12 HN GLU 12 -10.450 4.756 -3.428
77 HA GLU 12 HA GLU 12 -8.686 7.055 -3.454
78 HB2 GLU 12 2HB GLU 12 -11.350 7.149 -2.041
79 HB3 GLU 12 1HB GLU 12 -10.040 8.283 -1.749
80 HG2 GLU 12 2HG GLU 12 -10.151 9.050 -4.041
81 HG3 GLU 12 1HG GLU 12 -11.405 7.862 -4.396
82 H ILE 13 HN ILE 13 -8.059 7.615 -1.080
83 HA ILE 13 HA ILE 13 -8.155 5.271 0.678
84 HB ILE 13 HB ILE 13 -5.719 5.318 1.107
85 HG12 ILE 13 2HG1 ILE 13 -5.479 7.769 0.532
86 HG13 ILE 13 1HG1 ILE 13 -4.232 6.748 -0.169
87 HG21 ILE 13 1HG2 ILE 13 -6.907 4.597 -1.420
88 HG22 ILE 13 2HG2 ILE 13 -5.711 3.747 -0.453
89 HG23 ILE 13 3HG2 ILE 13 -5.202 4.986 -1.600
90 HD11 ILE 13 3HD1 ILE 13 -6.054 6.753 -2.163
91 HD12 ILE 13 1HD1 ILE 13 -4.707 7.885 -2.035
92 HD13 ILE 13 2HD1 ILE 13 -6.308 8.353 -1.465
93 H VAL 14 HN VAL 14 -6.536 6.117 2.704
94 HA VAL 14 HA VAL 14 -7.039 8.917 3.273
95 HB VAL 14 HB VAL 14 -8.293 6.725 4.931
96 HG11 VAL 14 1HG1 VAL 14 -7.212 8.332 6.426
97 HG12 VAL 14 2HG1 VAL 14 -8.969 8.468 6.513
98 HG13 VAL 14 3HG1 VAL 14 -8.035 9.658 5.605
99 HG21 VAL 14 3HG2 VAL 14 -9.543 7.576 2.952
100 HG22 VAL 14 1HG2 VAL 14 -9.522 9.178 3.684
101 HG23 VAL 14 2HG2 VAL 14 -10.363 7.852 4.487
102 H GLU 15 HN GLU 15 -5.938 5.826 4.614
103 HA GLU 15 HA GLU 15 -3.919 7.214 6.200
104 HB2 GLU 15 2HB GLU 15 -4.613 4.273 6.054
105 HB3 GLU 15 1HB GLU 15 -3.474 4.999 7.179
106 HG2 GLU 15 2HG GLU 15 -6.431 5.540 7.052
107 HG3 GLU 15 1HG GLU 15 -5.600 4.553 8.252
108 H LYS 16 HN LYS 16 -1.694 6.911 5.923
109 HA LYS 16 HA LYS 16 -0.778 5.163 3.814
110 HB2 LYS 16 2HB LYS 16 0.461 7.027 2.655
111 HB3 LYS 16 1HB LYS 16 -1.287 7.066 2.469
112 HG2 LYS 16 2HG LYS 16 -1.418 8.778 4.229
113 HG3 LYS 16 1HG LYS 16 0.343 8.765 4.348
114 HD2 LYS 16 2HD LYS 16 -1.228 9.438 1.862
115 HD3 LYS 16 1HD LYS 16 -0.495 10.616 2.953
116 HE2 LYS 16 2HE LYS 16 1.712 9.700 2.475
117 HE3 LYS 16 1HE LYS 16 0.992 8.489 1.414
118 HZ1 LYS 16 3HZ LYS 16 0.220 10.251 -0.033
119 HZ2 LYS 16 1HZ LYS 16 1.895 10.367 0.176
120 HZ3 LYS 16 2HZ LYS 16 0.866 11.427 0.997
121 H ARG 17 HN ARG 17 0.390 4.120 5.502
122 HA ARG 17 HA ARG 17 2.919 5.390 6.113
123 HE ARG 17 HE ARG 17 1.628 9.222 8.164
124 HB2 ARG 17 2HB ARG 17 0.988 4.648 8.312
125 HB3 ARG 17 1HB ARG 17 2.698 4.958 8.575
126 HG2 ARG 17 2HG ARG 17 0.730 6.934 7.438
127 HG3 ARG 17 1HG ARG 17 1.298 6.898 9.110
128 HD2 ARG 17 2HD ARG 17 3.595 7.249 8.323
129 HD3 ARG 17 1HD ARG 17 3.014 7.302 6.662
130 HH11 ARG 17 1HH1 ARG 17 4.825 8.581 6.938
131 HH12 ARG 17 2HH1 ARG 17 5.259 10.253 6.825
132 HH21 ARG 17 2HH2 ARG 17 3.759 11.873 7.440
133 HH22 ARG 17 1HH2 ARG 17 2.188 11.430 8.020
134 H GLY 18 HN GLY 18 3.895 3.663 4.979
135 HA2 GLY 18 2HA GLY 18 4.035 1.213 6.545
136 HA3 GLY 18 1HA GLY 18 3.429 1.064 4.913
137 H LYS 19 HN LYS 19 4.851 0.096 3.778
138 HA LYS 19 HA LYS 19 7.693 0.835 3.949
139 HB2 LYS 19 2HB LYS 19 6.242 -1.741 3.553
140 HB3 LYS 19 1HB LYS 19 7.881 -1.568 2.925
141 HG2 LYS 19 2HG LYS 19 8.718 -1.096 5.148
142 HG3 LYS 19 1HG LYS 19 7.079 -1.146 5.799
143 HD2 LYS 19 2HD LYS 19 6.987 -3.527 4.865
144 HD3 LYS 19 1HD LYS 19 8.739 -3.397 4.712
145 HE2 LYS 19 2HE LYS 19 7.213 -2.939 7.272
146 HE3 LYS 19 1HE LYS 19 7.978 -4.465 6.835
147 HZ1 LYS 19 3HZ LYS 19 9.376 -3.127 8.292
148 HZ2 LYS 19 1HZ LYS 19 9.388 -1.871 7.158
149 HZ3 LYS 19 2HZ LYS 19 10.112 -3.354 6.787
150 H GLY 20 HN GLY 20 5.796 -0.981 1.734
151 HA2 GLY 20 2HA GLY 20 6.016 0.917 -0.428
152 HA3 GLY 20 1HA GLY 20 6.807 -0.647 -0.654
153 H LYS 21 HN LYS 21 5.319 -2.319 0.600
154 HA LYS 21 HA LYS 21 2.602 -2.134 -0.501
155 HB2 LYS 21 2HB LYS 21 4.040 -4.746 -0.127
156 HB3 LYS 21 1HB LYS 21 2.686 -4.374 -1.185
157 HG2 LYS 21 2HG LYS 21 5.512 -3.404 -1.570
158 HG3 LYS 21 1HG LYS 21 4.769 -4.759 -2.420
159 HD2 LYS 21 2HD LYS 21 3.208 -3.320 -3.500
160 HD3 LYS 21 1HD LYS 21 3.676 -1.953 -2.490
161 HE2 LYS 21 2HE LYS 21 5.854 -1.884 -3.515
162 HE3 LYS 21 1HE LYS 21 5.513 -3.351 -4.429
163 HZ1 LYS 21 3HZ LYS 21 5.261 -1.360 -5.784
164 HZ2 LYS 21 1HZ LYS 21 4.078 -0.767 -4.729
165 HZ3 LYS 21 2HZ LYS 21 3.785 -2.171 -5.626
166 H ASP 22 HN ASP 22 4.528 -2.423 2.289
167 HA ASP 22 HA ASP 22 2.714 -3.995 3.829
168 HB2 ASP 22 2HB ASP 22 5.255 -3.984 4.120
169 HB3 ASP 22 1HB ASP 22 5.043 -2.426 4.887
170 H VAL 23 HN VAL 23 2.368 -1.099 2.740
171 HA VAL 23 HA VAL 23 1.718 0.287 5.163
172 HB VAL 23 HB VAL 23 2.651 1.346 3.074
173 HG11 VAL 23 1HG1 VAL 23 1.274 0.407 1.373
174 HG12 VAL 23 2HG1 VAL 23 0.874 2.125 1.463
175 HG13 VAL 23 3HG1 VAL 23 -0.200 0.932 2.179
176 HG21 VAL 23 3HG2 VAL 23 0.307 2.956 3.582
177 HG22 VAL 23 1HG2 VAL 23 1.999 3.266 3.969
178 HG23 VAL 23 2HG2 VAL 23 1.004 2.303 5.063
179 H GLU 24 HN GLU 24 -0.339 1.025 5.701
180 HA GLU 24 HA GLU 24 -2.469 -0.698 4.658
181 HB2 GLU 24 2HB GLU 24 -3.544 0.063 6.966
182 HB3 GLU 24 1HB GLU 24 -2.465 -1.316 6.837
183 HG2 GLU 24 2HG GLU 24 -1.910 0.040 8.766
184 HG3 GLU 24 1HG GLU 24 -0.597 0.057 7.589
185 H TYR 25 HN TYR 25 -3.168 0.687 3.038
186 HA TYR 25 HA TYR 25 -3.860 3.423 3.613
187 HD1 TYR 25 HD1 TYR 25 -3.841 4.948 0.175
188 HD2 TYR 25 HD2 TYR 25 -1.246 2.512 2.462
189 HE1 TYR 25 HE1 TYR 25 -2.015 6.523 -0.268
190 HE2 TYR 25 HE2 TYR 25 0.606 4.072 2.025
191 HH TYR 25 HH TYR 25 0.960 5.940 -0.135
192 HB2 TYR 25 2HB TYR 25 -3.550 1.714 1.212
193 HB3 TYR 25 1HB TYR 25 -4.687 3.046 1.081
194 H LEU 26 HN LEU 26 -6.113 3.776 2.064
195 HA LEU 26 HA LEU 26 -8.133 1.977 3.203
196 HG LEU 26 HG LEU 26 -10.507 3.633 2.619
197 HB2 LEU 26 2HB LEU 26 -8.166 4.100 4.438
198 HB3 LEU 26 1HB LEU 26 -8.310 4.987 2.932
199 HD11 LEU 26 1HD1 LEU 26 -10.001 2.130 4.552
200 HD12 LEU 26 2HD1 LEU 26 -11.600 2.863 4.558
201 HD13 LEU 26 3HD1 LEU 26 -10.334 3.499 5.608
202 HD21 LEU 26 3HD2 LEU 26 -10.603 5.973 2.875
203 HD22 LEU 26 1HD2 LEU 26 -10.147 5.877 4.576
204 HD23 LEU 26 2HD2 LEU 26 -11.729 5.301 4.052
205 H VAL 27 HN VAL 27 -10.157 1.916 1.897
206 HA VAL 27 HA VAL 27 -9.751 2.864 -0.810
207 HB VAL 27 HB VAL 27 -9.645 0.962 -1.883
208 HG11 VAL 27 1HG1 VAL 27 -8.332 -0.715 -0.810
209 HG12 VAL 27 2HG1 VAL 27 -8.925 -0.238 0.780
210 HG13 VAL 27 3HG1 VAL 27 -7.879 0.849 -0.133
211 HG21 VAL 27 3HG2 VAL 27 -11.300 -0.496 0.180
212 HG22 VAL 27 1HG2 VAL 27 -10.780 -1.131 -1.381
213 HG23 VAL 27 2HG2 VAL 27 -11.920 0.211 -1.312
214 H ARG 28 HN ARG 28 -11.369 3.991 -1.382
215 HA ARG 28 HA ARG 28 -14.041 3.383 -0.414
216 HE ARG 28 HE ARG 28 -11.954 8.044 0.906
217 HB2 ARG 28 2HB ARG 28 -13.310 5.492 -2.429
218 HB3 ARG 28 1HB ARG 28 -14.724 5.442 -1.391
219 HG2 ARG 28 2HG ARG 28 -13.230 5.796 0.565
220 HG3 ARG 28 1HG ARG 28 -11.891 6.018 -0.562
221 HD2 ARG 28 2HD ARG 28 -13.091 7.890 -1.602
222 HD3 ARG 28 1HD ARG 28 -14.410 7.673 -0.455
223 HH11 ARG 28 1HH1 ARG 28 -14.385 9.758 -0.906
224 HH12 ARG 28 2HH1 ARG 28 -14.086 11.274 -0.123
225 HH21 ARG 28 2HH2 ARG 28 -12.476 11.433 1.497
226 HH22 ARG 28 1HH2 ARG 28 -11.552 10.038 1.945
227 H TRP 29 HN TRP 29 -13.542 1.313 -1.414
228 HA TRP 29 HA TRP 29 -13.033 0.435 -3.776
229 HD1 TRP 29 HD1 TRP 29 -13.298 -1.313 -5.217
230 HE1 TRP 29 HE1 TRP 29 -14.469 -3.205 -6.518
231 HE3 TRP 29 HE3 TRP 29 -17.302 -2.088 -2.122
232 HZ2 TRP 29 HZ2 TRP 29 -16.776 -4.810 -6.268
233 HZ3 TRP 29 HZ3 TRP 29 -18.942 -3.821 -2.728
234 HH2 TRP 29 HH2 TRP 29 -18.683 -5.152 -4.758
235 HB2 TRP 29 2HB TRP 29 -13.981 -0.976 -2.063
236 HB3 TRP 29 1HB TRP 29 -15.559 -0.233 -2.311
237 H LYS 30 HN LYS 30 -13.176 1.911 -5.351
238 HA LYS 30 HA LYS 30 -14.985 3.520 -6.388
239 HB2 LYS 30 2HB LYS 30 -12.963 2.812 -7.614
240 HB3 LYS 30 1HB LYS 30 -13.789 1.343 -8.104
241 HG2 LYS 30 2HG LYS 30 -15.408 2.629 -9.355
242 HG3 LYS 30 1HG LYS 30 -14.667 4.134 -8.806
243 HD2 LYS 30 2HD LYS 30 -12.563 3.455 -9.923
244 HD3 LYS 30 1HD LYS 30 -13.389 2.023 -10.543
245 HE2 LYS 30 2HE LYS 30 -14.148 4.889 -11.105
246 HE3 LYS 30 1HE LYS 30 -13.305 3.809 -12.214
247 HZ1 LYS 30 3HZ LYS 30 -15.243 2.363 -12.218
248 HZ2 LYS 30 1HZ LYS 30 -15.660 3.924 -12.719
249 HZ3 LYS 30 2HZ LYS 30 -16.051 3.403 -11.157
250 H ASP 31 HN ASP 31 -15.493 0.025 -6.437
251 HA ASP 31 HA ASP 31 -18.184 0.472 -7.550
252 HB2 ASP 31 2HB ASP 31 -16.554 -2.074 -7.407
253 HB3 ASP 31 1HB ASP 31 -18.170 -1.939 -8.094
254 H GLY 32 HN GLY 32 -17.993 1.203 -4.977
255 HA2 GLY 32 2HA GLY 32 -19.624 -0.810 -3.632
256 HA3 GLY 32 1HA GLY 32 -18.131 -0.336 -2.829
257 H GLY 33 HN GLY 33 -19.597 0.317 -1.091
258 HA2 GLY 33 2HA GLY 33 -20.287 3.133 -1.404
259 HA3 GLY 33 1HA GLY 33 -21.598 2.053 -0.956
260 H ASP 34 HN ASP 34 -18.339 1.493 0.161
261 HA ASP 34 HA ASP 34 -18.911 2.726 2.742
262 HB2 ASP 34 2HB ASP 34 -18.220 -0.208 2.459
263 HB3 ASP 34 1HB ASP 34 -18.361 0.670 3.980
264 H CYS 35 HN CYS 35 -16.909 2.138 4.263
265 HA CYS 35 HA CYS 35 -14.514 2.794 2.685
266 HG CYS 35 HG CYS 35 -15.023 5.528 2.972
267 HB2 CYS 35 2HB CYS 35 -15.105 3.342 5.602
268 HB3 CYS 35 1HB CYS 35 -13.634 3.806 4.753
269 H GLU 36 HN GLU 36 -12.814 1.455 2.694
270 HA GLU 36 HA GLU 36 -12.657 -0.634 4.763
271 HB2 GLU 36 2HB GLU 36 -11.974 -1.196 1.905
272 HB3 GLU 36 1HB GLU 36 -12.292 -2.342 3.198
273 HG2 GLU 36 2HG GLU 36 -14.376 -0.535 1.993
274 HG3 GLU 36 1HG GLU 36 -14.098 -2.204 1.500
275 H TRP 37 HN TRP 37 -10.635 -1.044 5.487
276 HA TRP 37 HA TRP 37 -8.496 0.653 4.530
277 HD1 TRP 37 HD1 TRP 37 -8.290 2.364 5.361
278 HE1 TRP 37 HE1 TRP 37 -8.550 4.226 7.124
279 HE3 TRP 37 HE3 TRP 37 -8.677 -0.536 9.552
280 HZ2 TRP 37 HZ2 TRP 37 -8.876 4.433 9.922
281 HZ3 TRP 37 HZ3 TRP 37 -8.962 0.571 11.732
282 HH2 TRP 37 HH2 TRP 37 -9.058 3.004 11.911
283 HB2 TRP 37 2HB TRP 37 -8.953 -0.986 6.977
284 HB3 TRP 37 1HB TRP 37 -7.293 -0.616 6.513
285 H VAL 38 HN VAL 38 -6.515 -0.007 3.852
286 HA VAL 38 HA VAL 38 -6.439 -2.558 2.482
287 HB VAL 38 HB VAL 38 -4.705 -0.108 2.489
288 HG11 VAL 38 1HG1 VAL 38 -3.065 -1.822 2.379
289 HG12 VAL 38 2HG1 VAL 38 -3.304 -1.236 0.733
290 HG13 VAL 38 3HG1 VAL 38 -4.033 -2.756 1.245
291 HG21 VAL 38 3HG2 VAL 38 -5.263 -0.064 0.109
292 HG22 VAL 38 1HG2 VAL 38 -6.687 -0.019 1.143
293 HG23 VAL 38 2HG2 VAL 38 -6.237 -1.516 0.328
294 H LYS 39 HN LYS 39 -4.552 -3.969 2.664
295 HA LYS 39 HA LYS 39 -3.925 -4.407 5.428
296 HB2 LYS 39 2HB LYS 39 -4.501 -6.301 4.017
297 HB3 LYS 39 1HB LYS 39 -3.144 -5.951 2.957
298 HG2 LYS 39 2HG LYS 39 -1.581 -6.490 4.713
299 HG3 LYS 39 1HG LYS 39 -2.904 -6.728 5.855
300 HD2 LYS 39 2HD LYS 39 -3.731 -8.594 4.508
301 HD3 LYS 39 1HD LYS 39 -2.421 -8.345 3.352
302 HE2 LYS 39 2HE LYS 39 -0.780 -8.860 5.062
303 HE3 LYS 39 1HE LYS 39 -2.055 -9.028 6.268
304 HZ1 LYS 39 3HZ LYS 39 -2.935 -10.901 5.010
305 HZ2 LYS 39 1HZ LYS 39 -1.328 -11.177 5.463
306 HZ3 LYS 39 2HZ LYS 39 -1.696 -10.744 3.870
307 H GLY 40 HN GLY 40 -2.388 -3.360 6.394
308 HA2 GLY 40 2HA GLY 40 -0.014 -2.546 4.906
309 HA3 GLY 40 1HA GLY 40 -0.487 -1.948 6.490
310 H VAL 41 HN VAL 41 -0.256 -5.295 5.443
311 HA VAL 41 HA VAL 41 1.943 -5.677 7.364
312 HB VAL 41 HB VAL 41 0.324 -7.984 6.399
313 HG11 VAL 41 1HG1 VAL 41 2.312 -8.361 7.749
314 HG12 VAL 41 2HG1 VAL 41 0.859 -8.871 8.608
315 HG13 VAL 41 3HG1 VAL 41 1.645 -7.349 9.031
316 HG21 VAL 41 3HG2 VAL 41 -0.571 -6.153 8.628
317 HG22 VAL 41 1HG2 VAL 41 -1.301 -7.703 8.208
318 HG23 VAL 41 2HG2 VAL 41 -1.378 -6.355 7.073
319 H HIS 42 HN HIS 42 1.328 -5.396 4.129
320 HA HIS 42 HA HIS 42 2.850 -7.614 3.162
321 HD1 HIS 42 HD1 HIS 42 2.497 -6.810 -0.902
322 HD2 HIS 42 HD2 HIS 42 0.522 -8.648 2.258
323 HE1 HIS 42 HE1 HIS 42 1.515 -8.921 -1.857
324 HE2 HIS 42 HE2 HIS 42 0.260 -9.976 0.053
325 HB2 HIS 42 2HB HIS 42 1.218 -5.576 2.029
326 HB3 HIS 42 1HB HIS 42 2.781 -5.556 1.213
327 H VAL 43 HN VAL 43 4.529 -7.434 4.564
328 HA VAL 43 HA VAL 43 6.324 -5.355 4.814
329 HB VAL 43 HB VAL 43 6.344 -7.191 6.338
330 HG11 VAL 43 1HG1 VAL 43 7.339 -8.879 4.049
331 HG12 VAL 43 2HG1 VAL 43 5.735 -8.963 4.777
332 HG13 VAL 43 3HG1 VAL 43 7.156 -9.407 5.722
333 HG21 VAL 43 3HG2 VAL 43 8.520 -5.908 5.676
334 HG22 VAL 43 1HG2 VAL 43 9.008 -7.468 5.018
335 HG23 VAL 43 2HG2 VAL 43 8.615 -7.318 6.730
336 H ALA 44 HN ALA 44 6.255 -4.713 2.488
337 HA ALA 44 HA ALA 44 8.217 -6.043 0.816
338 HB1 ALA 44 3HB ALA 44 6.050 -5.013 -0.050
339 HB2 ALA 44 1HB ALA 44 7.529 -4.617 -0.924
340 HB3 ALA 44 2HB ALA 44 6.832 -3.454 0.199
341 H GLU 45 HN GLU 45 9.452 -5.370 3.021
342 HA GLU 45 HA GLU 45 10.449 -2.843 3.456
343 HB2 GLU 45 2HB GLU 45 10.885 -4.811 4.903
344 HB3 GLU 45 1HB GLU 45 11.999 -5.430 3.693
345 HG2 GLU 45 2HG GLU 45 13.225 -4.376 5.471
346 HG3 GLU 45 1HG GLU 45 13.403 -3.439 3.989
347 H ASP 46 HN ASP 46 11.164 -5.077 0.927
348 HA ASP 46 HA ASP 46 13.595 -3.877 0.024
349 HB2 ASP 46 2HB ASP 46 12.930 -6.178 -0.586
350 HB3 ASP 46 1HB ASP 46 11.586 -5.530 -1.520
351 H VAL 47 HN VAL 47 10.206 -3.578 -0.988
352 HA VAL 47 HA VAL 47 10.648 -1.755 -3.074
353 HB VAL 47 HB VAL 47 8.202 -1.908 -1.314
354 HG11 VAL 47 1HG1 VAL 47 7.989 -1.312 -4.188
355 HG12 VAL 47 2HG1 VAL 47 8.762 -0.068 -3.208
356 HG13 VAL 47 3HG1 VAL 47 7.132 -0.612 -2.814
357 HG21 VAL 47 3HG2 VAL 47 8.768 -3.438 -3.849
358 HG22 VAL 47 1HG2 VAL 47 7.320 -3.542 -2.850
359 HG23 VAL 47 2HG2 VAL 47 8.865 -4.115 -2.228
360 H ALA 48 HN ALA 48 10.404 -1.380 0.334
361 HA ALA 48 HA ALA 48 10.199 1.472 0.479
362 HB1 ALA 48 3HB ALA 48 10.431 1.154 2.868
363 HB2 ALA 48 1HB ALA 48 10.881 -0.532 2.621
364 HB3 ALA 48 2HB ALA 48 9.254 0.014 2.217
365 H LYS 49 HN LYS 49 12.686 -0.873 1.504
366 HA LYS 49 HA LYS 49 14.708 1.005 1.906
367 HB2 LYS 49 2HB LYS 49 14.874 -1.911 1.126
368 HB3 LYS 49 1HB LYS 49 16.278 -0.944 1.556
369 HG2 LYS 49 2HG LYS 49 15.219 -0.511 3.766
370 HG3 LYS 49 1HG LYS 49 13.946 -1.647 3.322
371 HD2 LYS 49 2HD LYS 49 16.892 -2.252 3.581
372 HD3 LYS 49 1HD LYS 49 15.613 -2.762 4.684
373 HE2 LYS 49 2HE LYS 49 15.779 -4.660 3.445
374 HE3 LYS 49 1HE LYS 49 14.621 -3.787 2.444
375 HZ1 LYS 49 3HZ LYS 49 16.438 -3.057 1.034
376 HZ2 LYS 49 1HZ LYS 49 16.412 -4.745 1.128
377 HZ3 LYS 49 2HZ LYS 49 17.559 -3.867 2.006
378 H ASP 50 HN ASP 50 13.401 -0.437 -0.946
379 HA ASP 50 HA ASP 50 15.534 0.585 -2.638
380 HB2 ASP 50 2HB ASP 50 14.403 -1.713 -2.930
381 HB3 ASP 50 1HB ASP 50 13.035 -0.809 -3.582
382 H TYR 51 HN TYR 51 12.355 1.411 -1.535
383 HA TYR 51 HA TYR 51 11.674 3.105 -3.671
384 HD1 TYR 51 HD1 TYR 51 10.110 3.702 -4.561
385 HD2 TYR 51 HD2 TYR 51 8.211 1.810 -1.258
386 HE1 TYR 51 HE1 TYR 51 8.223 3.073 -6.007
387 HE2 TYR 51 HE2 TYR 51 6.318 1.187 -2.691
388 HH TYR 51 HH TYR 51 6.434 1.428 -6.090
389 HB2 TYR 51 2HB TYR 51 10.506 2.481 -1.105
390 HB3 TYR 51 1HB TYR 51 10.294 4.156 -1.530
391 H GLU 52 HN GLU 52 12.284 3.912 -0.313
392 HA GLU 52 HA GLU 52 13.057 6.582 -1.021
393 HB2 GLU 52 2HB GLU 52 12.990 7.077 1.321
394 HB3 GLU 52 1HB GLU 52 11.582 6.106 0.919
395 HG2 GLU 52 2HG GLU 52 12.749 4.113 1.782
396 HG3 GLU 52 1HG GLU 52 14.098 5.144 2.259
397 H ASP 53 HN ASP 53 14.542 3.854 0.681
398 HA ASP 53 HA ASP 53 17.077 5.148 0.913
399 HB2 ASP 53 2HB ASP 53 16.595 3.579 2.596
400 HB3 ASP 53 1HB ASP 53 16.072 2.365 1.441
401 H GLY 54 HN GLY 54 15.529 3.197 -1.499
402 HA2 GLY 54 2HA GLY 54 17.756 2.140 -2.825
403 HA3 GLY 54 1HA GLY 54 16.224 2.534 -3.591
404 H LEU 55 HN LEU 55 16.208 5.301 -3.104
405 HA LEU 55 HA LEU 55 18.095 6.160 -5.130
406 HG LEU 55 HG LEU 55 14.905 6.222 -5.505
407 HB2 LEU 55 2HB LEU 55 15.784 7.498 -3.736
408 HB3 LEU 55 1HB LEU 55 16.867 8.384 -4.796
409 HD11 LEU 55 1HD1 LEU 55 15.433 8.974 -6.616
410 HD12 LEU 55 2HD1 LEU 55 14.139 8.543 -5.499
411 HD13 LEU 55 3HD1 LEU 55 14.156 7.871 -7.129
412 HD21 LEU 55 3HD2 LEU 55 16.954 5.553 -6.591
413 HD22 LEU 55 1HD2 LEU 55 17.218 7.195 -7.179
414 HD23 LEU 55 2HD2 LEU 55 15.860 6.248 -7.786
415 H GLU 56 HN GLU 56 17.178 7.214 -1.857
416 HA GLU 56 HA GLU 56 19.649 8.714 -1.610
417 HB2 GLU 56 2HB GLU 56 17.236 8.413 0.150
418 HB3 GLU 56 1HB GLU 56 18.673 9.278 0.672
419 HG2 GLU 56 2HG GLU 56 18.422 10.803 -1.236
420 HG3 GLU 56 1HG GLU 56 16.949 9.951 -1.701
421 H TYR 57 HN TYR 57 20.602 6.389 -1.902
422 HA TYR 57 HA TYR 57 20.762 4.919 0.604
423 HD1 TYR 57 HD1 TYR 57 20.562 2.071 0.382
424 HD2 TYR 57 HD2 TYR 57 24.167 3.489 -1.377
425 HE1 TYR 57 HE1 TYR 57 21.792 0.208 1.415
426 HE2 TYR 57 HE2 TYR 57 25.406 1.630 -0.350
427 HH TYR 57 HH TYR 57 23.853 -1.044 1.087
428 HB2 TYR 57 2HB TYR 57 20.556 3.679 -1.518
429 HB3 TYR 57 1HB TYR 57 22.072 4.381 -2.071
430 HA ALA 1 HA ALA 1 -15.953 -13.005 -0.267
431 H1 ALA 1 1H ALA 1 -17.241 -12.985 2.336
432 H2 ALA 1 2H ALA 1 -15.894 -11.980 2.149
433 H3 ALA 1 3H ALA 1 -15.755 -13.641 1.858
434 HB1 ALA 1 3HB ALA 1 -18.756 -13.182 0.784
435 HB2 ALA 1 1HB ALA 1 -17.819 -14.397 -0.082
436 HB3 ALA 1 2HB ALA 1 -18.419 -12.974 -0.934
437 HA PRO 2 HA PRO 2 -18.562 -8.734 -0.113
438 HB2 PRO 2 1HB PRO 2 -19.019 -7.601 1.847
439 HB3 PRO 2 2HB PRO 2 -17.499 -8.091 2.606
440 HG2 PRO 2 2HG PRO 2 -18.969 -9.544 3.671
441 HG3 PRO 2 1HG PRO 2 -20.039 -9.637 2.261
442 HD2 PRO 2 2HD PRO 2 -17.529 -11.121 2.835
443 HD3 PRO 2 1HD PRO 2 -18.949 -11.618 1.895
444 HA PRO 3 HA PRO 3 -14.276 -7.767 -1.420
445 HB2 PRO 3 1HB PRO 3 -14.562 -7.038 -3.579
446 HB3 PRO 3 2HB PRO 3 -15.870 -5.937 -3.138
447 HG2 PRO 3 2HG PRO 3 -17.086 -7.635 -4.169
448 HG3 PRO 3 1HG PRO 3 -15.960 -8.891 -3.623
449 HD2 PRO 3 2HD PRO 3 -18.137 -7.509 -2.111
450 HD3 PRO 3 1HD PRO 3 -17.628 -9.209 -2.054
451 H GLY 4 HN GLY 4 -13.558 -6.649 0.379
452 HA2 GLY 4 2HA GLY 4 -14.629 -3.975 0.892
453 HA3 GLY 4 1HA GLY 4 -13.526 -4.868 1.930
454 H THR 5 HN THR 5 -11.328 -4.696 1.624
455 HA THR 5 HA THR 5 -10.485 -2.426 0.020
456 HB THR 5 HB THR 5 -9.670 -2.614 2.330
457 HG1 THR 5 HG1 THR 5 -7.489 -3.009 0.558
458 HG21 THR 5 3HG2 THR 5 -9.555 -5.052 2.496
459 HG22 THR 5 1HG2 THR 5 -8.001 -4.323 2.900
460 HG23 THR 5 2HG2 THR 5 -8.238 -5.078 1.324
461 H ALA 6 HN ALA 6 -8.359 -2.614 -1.145
462 HA ALA 6 HA ALA 6 -8.197 -5.189 -2.568
463 HB1 ALA 6 3HB ALA 6 -9.202 -3.507 -3.995
464 HB2 ALA 6 1HB ALA 6 -7.593 -3.921 -4.589
465 HB3 ALA 6 2HB ALA 6 -7.845 -2.415 -3.703
466 H ARG 7 HN ARG 7 -6.655 -5.004 -0.409
467 HA ARG 7 HA ARG 7 -4.241 -3.783 -0.330
468 HE ARG 7 HE ARG 7 -6.086 -9.664 1.376
469 HB2 ARG 7 2HB ARG 7 -3.383 -5.741 0.866
470 HB3 ARG 7 1HB ARG 7 -5.020 -5.349 1.377
471 HG2 ARG 7 2HG ARG 7 -5.883 -7.124 -0.090
472 HG3 ARG 7 1HG ARG 7 -4.226 -7.537 -0.535
473 HD2 ARG 7 2HD ARG 7 -3.731 -8.044 1.814
474 HD3 ARG 7 1HD ARG 7 -5.393 -7.645 2.243
475 HH11 ARG 7 1HH1 ARG 7 -2.752 -9.097 0.523
476 HH12 ARG 7 2HH1 ARG 7 -2.490 -10.713 -0.042
477 HH21 ARG 7 2HH2 ARG 7 -4.191 -12.243 0.019
478 HH22 ARG 7 1HH2 ARG 7 -5.745 -11.792 0.633
479 H ARG 8 HN ARG 8 -2.257 -3.862 -1.387
480 HA ARG 8 HA ARG 8 -2.097 -4.819 -3.975
481 HE ARG 8 HE ARG 8 1.522 -4.054 -6.559
482 HB2 ARG 8 2HB ARG 8 -0.503 -3.229 -2.763
483 HB3 ARG 8 1HB ARG 8 0.298 -4.671 -2.149
484 HG2 ARG 8 2HG ARG 8 1.475 -3.886 -4.080
485 HG3 ARG 8 1HG ARG 8 0.671 -5.403 -4.484
486 HD2 ARG 8 2HD ARG 8 -1.125 -4.180 -5.577
487 HD3 ARG 8 1HD ARG 8 -0.376 -2.649 -5.125
488 HH11 ARG 8 1HH1 ARG 8 -1.667 -2.771 -7.106
489 HH12 ARG 8 2HH1 ARG 8 -1.403 -2.481 -8.792
490 HH21 ARG 8 2HH2 ARG 8 0.616 -2.994 -9.746
491 HH22 ARG 8 1HH2 ARG 8 1.883 -3.675 -8.781
492 H LYS 9 HN LYS 9 -1.325 -6.684 -4.923
493 HA LYS 9 HA LYS 9 -0.906 -8.958 -3.089
494 HB2 LYS 9 2HB LYS 9 -3.196 -8.922 -4.192
495 HB3 LYS 9 1HB LYS 9 -2.370 -9.226 -5.716
496 HG2 LYS 9 2HG LYS 9 -3.217 -11.285 -4.794
497 HG3 LYS 9 1HG LYS 9 -1.452 -11.302 -4.790
498 HD2 LYS 9 2HD LYS 9 -1.381 -10.849 -2.446
499 HD3 LYS 9 1HD LYS 9 -3.116 -10.535 -2.397
500 HE2 LYS 9 2HE LYS 9 -2.569 -12.745 -1.493
501 HE3 LYS 9 1HE LYS 9 -3.573 -12.860 -2.938
502 HZ1 LYS 9 3HZ LYS 9 -1.783 -14.474 -2.980
503 HZ2 LYS 9 1HZ LYS 9 -0.629 -13.245 -2.840
504 HZ3 LYS 9 2HZ LYS 9 -1.589 -13.349 -4.229
505 H ARG 10 HN ARG 10 1.224 -7.537 -4.136
506 HA ARG 10 HA ARG 10 2.281 -9.381 -6.177
507 HE ARG 10 HE ARG 10 5.698 -6.220 -6.448
508 HB2 ARG 10 2HB ARG 10 3.840 -7.643 -6.826
509 HB3 ARG 10 1HB ARG 10 2.201 -7.008 -6.877
510 HG2 ARG 10 2HG ARG 10 2.543 -5.865 -4.773
511 HG3 ARG 10 1HG ARG 10 4.157 -6.567 -4.628
512 HD2 ARG 10 2HD ARG 10 3.280 -4.789 -6.899
513 HD3 ARG 10 1HD ARG 10 4.119 -4.211 -5.462
514 HH11 ARG 10 1HH1 ARG 10 4.422 -3.220 -7.677
515 HH12 ARG 10 2HH1 ARG 10 5.746 -2.952 -8.761
516 HH21 ARG 10 2HH2 ARG 10 7.463 -4.461 -8.871
517 HH22 ARG 10 1HH2 ARG 10 7.445 -5.875 -7.870
518 H LYS 11 HN LYS 11 2.742 -7.988 -3.029
519 HA LYS 11 HA LYS 11 4.343 -8.251 -1.417
520 HB2 LYS 11 2HB LYS 11 2.961 -10.424 -1.564
521 HB3 LYS 11 1HB LYS 11 4.407 -11.126 -2.280
522 HG2 LYS 11 2HG LYS 11 4.342 -11.602 0.077
523 HG3 LYS 11 1HG LYS 11 5.674 -10.500 -0.269
524 HD2 LYS 11 2HD LYS 11 4.386 -8.619 0.519
525 HD3 LYS 11 1HD LYS 11 2.964 -9.638 0.729
526 HE2 LYS 11 2HE LYS 11 5.563 -9.918 2.232
527 HE3 LYS 11 1HE LYS 11 4.090 -9.181 2.858
528 HZ1 LYS 11 3HZ LYS 11 4.358 -11.483 3.587
529 HZ2 LYS 11 1HZ LYS 11 4.336 -12.006 1.978
530 HZ3 LYS 11 2HZ LYS 11 2.962 -11.288 2.652
531 H ALA 12 HN ALA 12 5.784 -7.035 -2.964
532 HA ALA 12 HA ALA 12 7.748 -8.127 -4.559
533 HB1 ALA 12 3HB ALA 12 7.253 -5.717 -4.300
534 HB2 ALA 12 1HB ALA 12 8.978 -6.083 -4.195
535 HB3 ALA 12 2HB ALA 12 8.053 -5.764 -2.724
536 H ASP 13 HN ASP 13 7.474 -8.207 -1.122
537 HA ASP 13 HA ASP 13 10.250 -9.128 -0.846
538 HB2 ASP 13 2HB ASP 13 9.745 -7.224 0.546
539 HB3 ASP 13 1HB ASP 13 8.283 -7.998 1.142
540 H SER 14 HN SER 14 7.256 -9.723 0.977
541 HA SER 14 HA SER 14 6.211 -11.636 1.618
542 HG SER 14 HG SER 14 6.190 -14.531 -0.376
543 HB2 SER 14 2HB SER 14 6.418 -12.294 -0.780
544 HB3 SER 14 1HB SER 14 7.962 -13.053 -0.402
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 12.508 9.531 -3.010
2 H2 GLY 1 2H GLY 1 11.289 8.464 -3.493
3 H3 GLY 1 3H GLY 1 12.205 9.280 -4.655
4 HA2 GLY 1 1HA GLY 1 12.868 6.938 -4.407
5 HA3 GLY 1 2HA GLY 1 14.167 8.079 -4.096
6 H SER 2 HN SER 2 11.660 7.772 -1.733
7 HA SER 2 HA SER 2 13.138 5.822 -0.166
8 HG SER 2 HG SER 2 13.046 9.611 1.323
9 HB2 SER 2 2HB SER 2 13.192 7.364 1.820
10 HB3 SER 2 1HB SER 2 14.256 7.855 0.503
11 H GLN 3 HN GLN 3 10.550 8.257 0.114
12 HA GLN 3 HA GLN 3 8.889 6.269 1.479
13 HB2 GLN 3 2HB GLN 3 8.716 9.250 1.306
14 HB3 GLN 3 1HB GLN 3 7.442 8.270 2.006
15 HG2 GLN 3 2HG GLN 3 9.125 7.380 3.615
16 HG3 GLN 3 1HG GLN 3 10.275 8.553 2.976
17 HE21 GLN 3 2HE2 GLN 3 7.862 11.208 4.165
18 HE22 GLN 3 1HE2 GLN 3 8.247 10.612 2.591
19 H VAL 4 HN VAL 4 7.463 5.194 0.279
20 HA VAL 4 HA VAL 4 6.016 6.628 -1.815
21 HB VAL 4 HB VAL 4 7.328 3.955 -2.304
22 HG11 VAL 4 1HG1 VAL 4 5.271 4.135 -3.522
23 HG12 VAL 4 2HG1 VAL 4 6.604 4.376 -4.653
24 HG13 VAL 4 3HG1 VAL 4 5.682 5.760 -4.071
25 HG21 VAL 4 3HG2 VAL 4 8.990 5.730 -2.235
26 HG22 VAL 4 1HG2 VAL 4 8.042 6.684 -3.376
27 HG23 VAL 4 2HG2 VAL 4 8.765 5.159 -3.888
28 H PHE 5 HN PHE 5 6.344 3.437 -0.269
29 HA PHE 5 HA PHE 5 4.770 1.948 0.464
30 HD1 PHE 5 HD1 PHE 5 5.713 3.534 2.769
31 HD2 PHE 5 HD2 PHE 5 2.873 6.170 1.015
32 HE1 PHE 5 HE1 PHE 5 6.845 5.447 3.821
33 HE2 PHE 5 HE2 PHE 5 4.000 8.089 2.062
34 HZ PHE 5 HZ PHE 5 5.991 7.728 3.468
35 HB2 PHE 5 2HB PHE 5 2.599 3.907 0.766
36 HB3 PHE 5 1HB PHE 5 3.308 2.833 1.950
37 H GLU 6 HN GLU 6 2.117 1.575 0.099
38 HA GLU 6 HA GLU 6 1.578 2.040 -2.738
39 HB2 GLU 6 2HB GLU 6 2.739 -0.136 -2.580
40 HB3 GLU 6 1HB GLU 6 1.493 -0.704 -1.476
41 HG2 GLU 6 2HG GLU 6 1.179 -1.510 -3.774
42 HG3 GLU 6 1HG GLU 6 -0.178 -0.543 -3.198
43 H TYR 7 HN TYR 7 -0.460 2.563 -3.112
44 HA TYR 7 HA TYR 7 -2.396 2.335 -0.957
45 HD1 TYR 7 HD1 TYR 7 -0.363 4.602 -3.699
46 HD2 TYR 7 HD2 TYR 7 -4.387 3.555 -4.596
47 HE1 TYR 7 HE1 TYR 7 0.061 5.040 -6.080
48 HE2 TYR 7 HE2 TYR 7 -3.973 3.985 -6.981
49 HH TYR 7 HH TYR 7 -0.866 4.377 -8.268
50 HB2 TYR 7 2HB TYR 7 -3.718 3.905 -2.345
51 HB3 TYR 7 1HB TYR 7 -2.134 4.535 -1.943
52 H ALA 8 HN ALA 8 -3.373 0.354 -0.986
53 HA ALA 8 HA ALA 8 -4.079 -0.872 -3.536
54 HB1 ALA 8 3HB ALA 8 -3.243 -2.061 -1.342
55 HB2 ALA 8 1HB ALA 8 -4.452 -2.831 -2.371
56 HB3 ALA 8 2HB ALA 8 -4.950 -1.990 -0.906
57 H GLU 9 HN GLU 9 -5.326 1.307 -3.674
58 HA GLU 9 HA GLU 9 -8.032 1.075 -2.568
59 HB2 GLU 9 2HB GLU 9 -7.507 3.125 -1.869
60 HB3 GLU 9 1HB GLU 9 -6.123 3.230 -2.938
61 HG2 GLU 9 2HG GLU 9 -8.949 3.747 -3.785
62 HG3 GLU 9 1HG GLU 9 -7.835 4.990 -3.248
63 H VAL 10 HN VAL 10 -9.776 1.415 -3.694
64 HA VAL 10 HA VAL 10 -9.637 0.699 -6.474
65 HB VAL 10 HB VAL 10 -11.992 1.030 -4.676
66 HG11 VAL 10 1HG1 VAL 10 -12.139 1.125 -7.318
67 HG12 VAL 10 2HG1 VAL 10 -13.348 0.264 -6.369
68 HG13 VAL 10 3HG1 VAL 10 -12.042 -0.628 -7.147
69 HG21 VAL 10 3HG2 VAL 10 -10.926 -1.604 -5.577
70 HG22 VAL 10 1HG2 VAL 10 -11.905 -1.214 -4.163
71 HG23 VAL 10 2HG2 VAL 10 -10.201 -0.779 -4.197
72 H ASP 11 HN ASP 11 -10.669 3.309 -4.417
73 HA ASP 11 HA ASP 11 -10.687 5.094 -6.738
74 1HB ASP 11 1HB ASP 11 -12.847 5.089 -4.628
75 2HB ASP 11 2HB ASP 11 -13.030 4.434 -6.248
76 H GLU 12 HN GLU 12 -10.479 4.727 -3.226
77 HA GLU 12 HA GLU 12 -8.790 7.070 -3.081
78 HB2 GLU 12 2HB GLU 12 -11.504 7.018 -1.779
79 HB3 GLU 12 1HB GLU 12 -10.217 8.078 -1.223
80 HG2 GLU 12 2HG GLU 12 -10.133 9.132 -3.423
81 HG3 GLU 12 1HG GLU 12 -11.416 8.061 -3.984
82 H ILE 13 HN ILE 13 -8.072 7.488 -0.776
83 HA ILE 13 HA ILE 13 -8.060 5.034 0.840
84 HB ILE 13 HB ILE 13 -5.629 5.162 1.178
85 HG12 ILE 13 2HG1 ILE 13 -5.479 7.649 0.794
86 HG13 ILE 13 1HG1 ILE 13 -4.241 6.722 -0.048
87 HG21 ILE 13 1HG2 ILE 13 -6.764 4.886 -1.540
88 HG22 ILE 13 2HG2 ILE 13 -5.980 3.679 -0.523
89 HG23 ILE 13 3HG2 ILE 13 -5.021 4.880 -1.381
90 HD11 ILE 13 3HD1 ILE 13 -6.300 8.454 -1.107
91 HD12 ILE 13 1HD1 ILE 13 -6.311 6.862 -1.873
92 HD13 ILE 13 2HD1 ILE 13 -4.837 7.834 -1.873
93 H VAL 14 HN VAL 14 -6.355 5.858 2.873
94 HA VAL 14 HA VAL 14 -7.051 8.558 3.655
95 HB VAL 14 HB VAL 14 -8.003 6.209 5.296
96 HG11 VAL 14 1HG1 VAL 14 -8.956 7.902 6.791
97 HG12 VAL 14 2HG1 VAL 14 -8.208 9.173 5.824
98 HG13 VAL 14 3HG1 VAL 14 -7.198 8.026 6.704
99 HG21 VAL 14 3HG2 VAL 14 -10.251 7.147 4.870
100 HG22 VAL 14 1HG2 VAL 14 -9.450 6.584 3.403
101 HG23 VAL 14 2HG2 VAL 14 -9.526 8.309 3.759
102 H GLU 15 HN GLU 15 -5.934 5.511 5.117
103 HA GLU 15 HA GLU 15 -3.883 7.000 6.560
104 HB2 GLU 15 2HB GLU 15 -5.175 5.395 7.838
105 HB3 GLU 15 1HB GLU 15 -4.716 4.105 6.733
106 HG2 GLU 15 2HG GLU 15 -2.446 4.200 7.451
107 HG3 GLU 15 1HG GLU 15 -2.750 5.658 8.395
108 H LYS 16 HN LYS 16 -2.323 7.514 5.061
109 HA LYS 16 HA LYS 16 -1.079 5.294 3.599
110 HB2 LYS 16 2HB LYS 16 0.016 7.173 2.291
111 HB3 LYS 16 1HB LYS 16 -1.724 7.010 2.098
112 HG2 LYS 16 2HG LYS 16 -2.086 8.843 3.651
113 HG3 LYS 16 1HG LYS 16 -0.345 8.993 3.895
114 HD2 LYS 16 2HD LYS 16 -0.052 9.545 1.537
115 HD3 LYS 16 1HD LYS 16 -1.787 9.365 1.271
116 HE2 LYS 16 2HE LYS 16 -0.484 11.377 3.103
117 HE3 LYS 16 1HE LYS 16 -1.133 11.718 1.500
118 HZ1 LYS 16 3HZ LYS 16 -2.687 12.323 3.258
119 HZ2 LYS 16 1HZ LYS 16 -2.711 10.724 3.812
120 HZ3 LYS 16 2HZ LYS 16 -3.324 11.099 2.281
121 H ARG 17 HN ARG 17 0.295 4.445 5.195
122 HA ARG 17 HA ARG 17 2.675 5.984 5.715
123 HE ARG 17 HE ARG 17 4.483 6.048 10.448
124 HB2 ARG 17 2HB ARG 17 1.193 6.792 7.501
125 HB3 ARG 17 1HB ARG 17 0.937 5.138 8.037
126 HG2 ARG 17 2HG ARG 17 3.359 4.960 8.518
127 HG3 ARG 17 1HG ARG 17 3.533 6.664 8.095
128 HD2 ARG 17 2HD ARG 17 2.029 7.293 9.887
129 HD3 ARG 17 1HD ARG 17 1.738 5.597 10.273
130 HH11 ARG 17 1HH1 ARG 17 1.554 7.044 12.049
131 HH12 ARG 17 2HH1 ARG 17 2.324 7.299 13.579
132 HH21 ARG 17 2HH2 ARG 17 4.570 6.922 13.814
133 HH22 ARG 17 1HH2 ARG 17 5.506 6.379 12.462
134 H GLY 18 HN GLY 18 3.673 4.184 4.579
135 HA2 GLY 18 2HA GLY 18 4.134 1.967 6.399
136 HA3 GLY 18 1HA GLY 18 3.416 1.559 4.870
137 H LYS 19 HN LYS 19 4.920 0.425 3.916
138 HA LYS 19 HA LYS 19 7.670 1.436 3.785
139 HB2 LYS 19 2HB LYS 19 6.448 -1.280 3.520
140 HB3 LYS 19 1HB LYS 19 8.132 -0.973 3.116
141 HG2 LYS 19 2HG LYS 19 8.516 -0.215 5.428
142 HG3 LYS 19 1HG LYS 19 6.837 -0.605 5.810
143 HD2 LYS 19 2HD LYS 19 7.303 -2.949 5.084
144 HD3 LYS 19 1HD LYS 19 9.005 -2.507 4.942
145 HE2 LYS 19 2HE LYS 19 7.332 -2.384 7.450
146 HE3 LYS 19 1HE LYS 19 8.565 -3.589 7.081
147 HZ1 LYS 19 3HZ LYS 19 10.222 -1.823 7.056
148 HZ2 LYS 19 1HZ LYS 19 9.426 -1.886 8.547
149 HZ3 LYS 19 2HZ LYS 19 9.036 -0.678 7.430
150 H GLY 20 HN GLY 20 7.119 -0.954 1.468
151 HA2 GLY 20 2HA GLY 20 6.876 1.039 -0.646
152 HA3 GLY 20 1HA GLY 20 7.467 -0.614 -0.828
153 H LYS 21 HN LYS 21 5.701 -1.959 0.589
154 HA LYS 21 HA LYS 21 3.019 -1.404 -0.414
155 HB2 LYS 21 2HB LYS 21 4.583 -3.926 -0.940
156 HB3 LYS 21 1HB LYS 21 2.828 -3.864 -1.040
157 HG2 LYS 21 2HG LYS 21 3.013 -2.104 -2.754
158 HG3 LYS 21 1HG LYS 21 4.771 -2.254 -2.684
159 HD2 LYS 21 2HD LYS 21 2.882 -4.503 -3.375
160 HD3 LYS 21 1HD LYS 21 3.740 -3.514 -4.559
161 HE2 LYS 21 2HE LYS 21 5.103 -5.110 -2.402
162 HE3 LYS 21 1HE LYS 21 4.822 -5.714 -4.034
163 HZ1 LYS 21 3HZ LYS 21 6.143 -3.888 -4.899
164 HZ2 LYS 21 1HZ LYS 21 7.045 -4.797 -3.792
165 HZ3 LYS 21 2HZ LYS 21 6.406 -3.300 -3.336
166 H ASP 22 HN ASP 22 4.799 -1.874 2.231
167 HA ASP 22 HA ASP 22 3.154 -3.788 3.583
168 HB2 ASP 22 2HB ASP 22 5.687 -3.570 3.897
169 HB3 ASP 22 1HB ASP 22 5.322 -2.115 4.809
170 H VAL 23 HN VAL 23 2.498 -0.904 2.701
171 HA VAL 23 HA VAL 23 1.791 0.347 5.173
172 HB VAL 23 HB VAL 23 2.647 1.502 3.127
173 HG11 VAL 23 1HG1 VAL 23 1.331 0.401 1.434
174 HG12 VAL 23 2HG1 VAL 23 0.942 2.115 1.433
175 HG13 VAL 23 3HG1 VAL 23 -0.166 0.967 2.168
176 HG21 VAL 23 3HG2 VAL 23 0.074 2.779 3.789
177 HG22 VAL 23 1HG2 VAL 23 1.710 3.427 3.842
178 HG23 VAL 23 2HG2 VAL 23 1.132 2.375 5.135
179 H GLU 24 HN GLU 24 -0.330 1.058 5.637
180 HA GLU 24 HA GLU 24 -2.398 -0.761 4.604
181 HB2 GLU 24 2HB GLU 24 -3.558 -0.350 6.816
182 HB3 GLU 24 1HB GLU 24 -2.101 -1.326 6.879
183 HG2 GLU 24 2HG GLU 24 -0.840 0.680 7.593
184 HG3 GLU 24 1HG GLU 24 -2.357 1.578 7.627
185 H TYR 25 HN TYR 25 -3.135 0.604 3.016
186 HA TYR 25 HA TYR 25 -3.925 3.330 3.629
187 HD1 TYR 25 HD1 TYR 25 -3.746 4.856 0.052
188 HD2 TYR 25 HD2 TYR 25 -1.338 2.431 2.554
189 HE1 TYR 25 HE1 TYR 25 -1.830 6.311 -0.418
190 HE2 TYR 25 HE2 TYR 25 0.599 3.885 2.098
191 HH TYR 25 HH TYR 25 0.282 6.891 0.395
192 HB2 TYR 25 2HB TYR 25 -3.654 1.675 1.159
193 HB3 TYR 25 1HB TYR 25 -4.725 3.063 1.107
194 H LEU 26 HN LEU 26 -6.169 3.673 2.124
195 HA LEU 26 HA LEU 26 -8.163 1.844 3.261
196 HG LEU 26 HG LEU 26 -10.564 3.113 2.973
197 HB2 LEU 26 2HB LEU 26 -8.510 3.852 4.446
198 HB3 LEU 26 1HB LEU 26 -8.150 4.834 3.047
199 HD11 LEU 26 1HD1 LEU 26 -11.342 5.663 3.883
200 HD12 LEU 26 2HD1 LEU 26 -10.130 5.035 5.000
201 HD13 LEU 26 3HD1 LEU 26 -11.584 4.098 4.660
202 HD21 LEU 26 3HD2 LEU 26 -11.385 5.234 1.777
203 HD22 LEU 26 1HD2 LEU 26 -10.242 4.183 0.945
204 HD23 LEU 26 2HD2 LEU 26 -9.680 5.663 1.714
205 H VAL 27 HN VAL 27 -10.162 1.678 1.908
206 HA VAL 27 HA VAL 27 -9.719 2.662 -0.781
207 HB VAL 27 HB VAL 27 -9.646 0.771 -1.873
208 HG11 VAL 27 1HG1 VAL 27 -7.697 0.637 -0.592
209 HG12 VAL 27 2HG1 VAL 27 -8.370 -0.991 -0.591
210 HG13 VAL 27 3HG1 VAL 27 -8.572 0.044 0.819
211 HG21 VAL 27 3HG2 VAL 27 -11.750 -0.215 -1.365
212 HG22 VAL 27 1HG2 VAL 27 -11.250 -0.573 0.287
213 HG23 VAL 27 2HG2 VAL 27 -10.534 -1.454 -1.062
214 H ARG 28 HN ARG 28 -11.340 3.886 -1.213
215 HA ARG 28 HA ARG 28 -14.023 3.182 -0.347
216 HE ARG 28 HE ARG 28 -11.825 7.686 1.308
217 HB2 ARG 28 2HB ARG 28 -13.302 5.450 -2.177
218 HB3 ARG 28 1HB ARG 28 -14.699 5.315 -1.125
219 HG2 ARG 28 2HG ARG 28 -13.149 5.461 0.828
220 HG3 ARG 28 1HG ARG 28 -11.848 5.817 -0.308
221 HD2 ARG 28 2HD ARG 28 -13.157 7.762 -1.121
222 HD3 ARG 28 1HD ARG 28 -14.367 7.423 0.113
223 HH11 ARG 28 1HH1 ARG 28 -14.322 9.572 -0.216
224 HH12 ARG 28 2HH1 ARG 28 -13.950 11.017 0.664
225 HH21 ARG 28 2HH2 ARG 28 -12.247 11.023 2.194
226 HH22 ARG 28 1HH2 ARG 28 -11.327 9.583 2.477
227 H TRP 29 HN TRP 29 -13.976 1.232 -1.460
228 HA TRP 29 HA TRP 29 -13.529 0.374 -3.881
229 HD1 TRP 29 HD1 TRP 29 -13.588 -1.172 -5.121
230 HE1 TRP 29 HE1 TRP 29 -13.624 -3.708 -5.564
231 HE3 TRP 29 HE3 TRP 29 -16.961 -2.580 -1.542
232 HZ2 TRP 29 HZ2 TRP 29 -14.911 -6.001 -4.534
233 HZ3 TRP 29 HZ3 TRP 29 -17.539 -4.962 -1.338
234 HH2 TRP 29 HH2 TRP 29 -16.534 -6.636 -2.803
235 HB2 TRP 29 2HB TRP 29 -15.221 -0.391 -1.902
236 HB3 TRP 29 1HB TRP 29 -16.358 -0.070 -3.204
237 H LYS 30 HN LYS 30 -13.365 2.043 -5.349
238 HA LYS 30 HA LYS 30 -14.885 3.918 -6.375
239 HB2 LYS 30 2HB LYS 30 -12.952 3.071 -7.596
240 HB3 LYS 30 1HB LYS 30 -13.851 1.637 -8.065
241 HG2 LYS 30 2HG LYS 30 -13.839 3.043 -9.947
242 HG3 LYS 30 1HG LYS 30 -15.456 3.171 -9.254
243 HD2 LYS 30 2HD LYS 30 -14.794 5.260 -8.137
244 HD3 LYS 30 1HD LYS 30 -13.194 5.132 -8.874
245 HE2 LYS 30 2HE LYS 30 -14.226 5.235 -11.099
246 HE3 LYS 30 1HE LYS 30 -15.812 5.400 -10.348
247 HZ1 LYS 30 3HZ LYS 30 -15.082 7.471 -9.341
248 HZ2 LYS 30 1HZ LYS 30 -14.922 7.541 -11.024
249 HZ3 LYS 30 2HZ LYS 30 -13.557 7.310 -10.054
250 H ASP 31 HN ASP 31 -15.840 0.530 -6.629
251 HA ASP 31 HA ASP 31 -18.494 1.412 -7.565
252 HB2 ASP 31 2HB ASP 31 -17.098 -1.223 -8.102
253 HB3 ASP 31 1HB ASP 31 -18.737 -0.820 -8.607
254 H GLY 32 HN GLY 32 -18.267 1.629 -4.987
255 HA2 GLY 32 2HA GLY 32 -19.727 -0.683 -3.921
256 HA3 GLY 32 1HA GLY 32 -18.291 -0.130 -3.066
257 H GLY 33 HN GLY 33 -19.561 0.284 -1.215
258 HA2 GLY 33 2HA GLY 33 -20.809 2.923 -1.298
259 HA3 GLY 33 1HA GLY 33 -21.810 1.591 -0.744
260 H ASP 34 HN ASP 34 -18.442 1.457 -0.044
261 HA ASP 34 HA ASP 34 -18.733 2.688 2.573
262 HB2 ASP 34 2HB ASP 34 -18.014 -0.236 2.264
263 HB3 ASP 34 1HB ASP 34 -17.960 0.674 3.770
264 H CYS 35 HN CYS 35 -16.462 1.918 3.799
265 HA CYS 35 HA CYS 35 -14.252 2.094 1.915
266 HG CYS 35 HG CYS 35 -14.847 3.600 5.553
267 HB2 CYS 35 2HB CYS 35 -13.279 4.068 3.015
268 HB3 CYS 35 1HB CYS 35 -14.834 4.436 2.277
269 H GLU 36 HN GLU 36 -13.143 0.363 2.559
270 HA GLU 36 HA GLU 36 -12.738 -0.090 5.432
271 HB2 GLU 36 2HB GLU 36 -12.290 -1.926 3.075
272 HB3 GLU 36 1HB GLU 36 -12.003 -2.360 4.752
273 HG2 GLU 36 2HG GLU 36 -14.103 -3.264 4.064
274 HG3 GLU 36 1HG GLU 36 -14.393 -1.967 5.222
275 H TRP 37 HN TRP 37 -10.408 -1.541 5.439
276 HA TRP 37 HA TRP 37 -8.447 0.448 4.524
277 HD1 TRP 37 HD1 TRP 37 -8.654 2.230 5.497
278 HE1 TRP 37 HE1 TRP 37 -9.277 3.899 7.356
279 HE3 TRP 37 HE3 TRP 37 -8.385 -0.904 9.527
280 HZ2 TRP 37 HZ2 TRP 37 -9.610 3.887 10.161
281 HZ3 TRP 37 HZ3 TRP 37 -8.870 0.003 11.763
282 HH2 TRP 37 HH2 TRP 37 -9.469 2.349 12.071
283 HB2 TRP 37 2HB TRP 37 -8.529 -1.277 6.984
284 HB3 TRP 37 1HB TRP 37 -7.044 -0.512 6.431
285 H VAL 38 HN VAL 38 -6.428 -0.219 3.816
286 HA VAL 38 HA VAL 38 -6.395 -2.782 2.457
287 HB VAL 38 HB VAL 38 -4.515 -0.430 2.425
288 HG11 VAL 38 1HG1 VAL 38 -3.410 -1.521 0.506
289 HG12 VAL 38 2HG1 VAL 38 -4.358 -2.974 0.825
290 HG13 VAL 38 3HG1 VAL 38 -3.191 -2.400 2.017
291 HG21 VAL 38 3HG2 VAL 38 -6.468 -1.456 0.391
292 HG22 VAL 38 1HG2 VAL 38 -5.340 -0.127 0.131
293 HG23 VAL 38 2HG2 VAL 38 -6.614 0.020 1.341
294 H LYS 39 HN LYS 39 -4.378 -4.103 2.540
295 HA LYS 39 HA LYS 39 -3.733 -4.575 5.296
296 HB2 LYS 39 2HB LYS 39 -4.246 -6.347 3.522
297 HB3 LYS 39 1HB LYS 39 -2.603 -6.079 2.956
298 HG2 LYS 39 2HG LYS 39 -2.580 -7.974 4.384
299 HG3 LYS 39 1HG LYS 39 -1.803 -6.647 5.250
300 HD2 LYS 39 2HD LYS 39 -3.619 -6.357 6.680
301 HD3 LYS 39 1HD LYS 39 -4.729 -7.196 5.594
302 HE2 LYS 39 2HE LYS 39 -3.617 -9.310 6.072
303 HE3 LYS 39 1HE LYS 39 -2.473 -8.483 7.127
304 HZ1 LYS 39 3HZ LYS 39 -4.279 -7.882 8.590
305 HZ2 LYS 39 1HZ LYS 39 -4.270 -9.558 8.363
306 HZ3 LYS 39 2HZ LYS 39 -5.409 -8.602 7.558
307 H GLY 40 HN GLY 40 -2.286 -3.352 6.221
308 HA2 GLY 40 2HA GLY 40 0.147 -2.613 4.787
309 HA3 GLY 40 1HA GLY 40 -0.381 -1.938 6.320
310 H VAL 41 HN VAL 41 -0.358 -5.332 5.656
311 HA VAL 41 HA VAL 41 1.793 -5.698 7.621
312 HB VAL 41 HB VAL 41 0.113 -7.941 6.569
313 HG11 VAL 41 1HG1 VAL 41 2.074 -8.449 7.939
314 HG12 VAL 41 2HG1 VAL 41 0.579 -8.922 8.746
315 HG13 VAL 41 3HG1 VAL 41 1.421 -7.455 9.240
316 HG21 VAL 41 3HG2 VAL 41 -1.552 -6.352 7.227
317 HG22 VAL 41 1HG2 VAL 41 -0.693 -5.993 8.724
318 HG23 VAL 41 2HG2 VAL 41 -1.440 -7.573 8.494
319 H HIS 42 HN HIS 42 1.346 -5.503 4.348
320 HA HIS 42 HA HIS 42 2.843 -7.729 3.441
321 HD1 HIS 42 HD1 HIS 42 0.343 -5.828 0.110
322 HD2 HIS 42 HD2 HIS 42 1.632 -9.061 2.379
323 HE1 HIS 42 HE1 HIS 42 -1.075 -7.771 -0.623
324 HE2 HIS 42 HE2 HIS 42 -0.341 -9.693 0.832
325 HB2 HIS 42 2HB HIS 42 1.765 -5.233 2.275
326 HB3 HIS 42 1HB HIS 42 3.103 -5.993 1.412
327 H VAL 43 HN VAL 43 4.449 -7.621 5.028
328 HA VAL 43 HA VAL 43 6.330 -5.603 5.297
329 HB VAL 43 HB VAL 43 6.844 -8.538 5.693
330 HG11 VAL 43 1HG1 VAL 43 8.511 -7.773 7.326
331 HG12 VAL 43 2HG1 VAL 43 8.174 -6.102 6.878
332 HG13 VAL 43 3HG1 VAL 43 8.880 -7.205 5.699
333 HG21 VAL 43 3HG2 VAL 43 6.261 -8.012 8.084
334 HG22 VAL 43 1HG2 VAL 43 4.906 -7.991 6.956
335 HG23 VAL 43 2HG2 VAL 43 5.615 -6.474 7.509
336 H ALA 44 HN ALA 44 6.467 -5.070 2.955
337 HA ALA 44 HA ALA 44 8.479 -6.627 1.540
338 HB1 ALA 44 3HB ALA 44 8.083 -5.045 -0.310
339 HB2 ALA 44 1HB ALA 44 6.930 -4.177 0.705
340 HB3 ALA 44 2HB ALA 44 6.604 -5.842 0.221
341 H GLU 45 HN GLU 45 9.524 -5.822 3.773
342 HA GLU 45 HA GLU 45 10.573 -3.308 4.114
343 HB2 GLU 45 2HB GLU 45 12.245 -4.295 5.512
344 HB3 GLU 45 1HB GLU 45 10.770 -5.231 5.711
345 HG2 GLU 45 2HG GLU 45 13.128 -5.993 4.004
346 HG3 GLU 45 1HG GLU 45 12.732 -6.662 5.586
347 H ASP 46 HN ASP 46 11.413 -5.709 1.782
348 HA ASP 46 HA ASP 46 13.989 -4.747 1.100
349 HB2 ASP 46 2HB ASP 46 11.937 -6.250 -0.534
350 HB3 ASP 46 1HB ASP 46 13.580 -5.922 -1.077
351 H VAL 47 HN VAL 47 10.770 -4.093 -0.238
352 HA VAL 47 HA VAL 47 11.539 -2.330 -2.275
353 HB VAL 47 HB VAL 47 8.987 -2.228 -0.666
354 HG11 VAL 47 1HG1 VAL 47 9.786 -1.136 -3.348
355 HG12 VAL 47 2HG1 VAL 47 9.084 -0.287 -1.971
356 HG13 VAL 47 3HG1 VAL 47 8.098 -1.403 -2.911
357 HG21 VAL 47 3HG2 VAL 47 9.560 -3.795 -3.181
358 HG22 VAL 47 1HG2 VAL 47 8.037 -3.743 -2.296
359 HG23 VAL 47 2HG2 VAL 47 9.459 -4.484 -1.564
360 H ALA 48 HN ALA 48 11.189 -1.891 1.098
361 HA ALA 48 HA ALA 48 11.250 0.991 1.144
362 HB1 ALA 48 3HB ALA 48 11.269 -1.032 3.372
363 HB2 ALA 48 1HB ALA 48 9.861 -0.168 2.756
364 HB3 ALA 48 2HB ALA 48 11.149 0.715 3.574
365 H LYS 49 HN LYS 49 13.199 -1.622 2.574
366 HA LYS 49 HA LYS 49 15.399 -0.071 3.288
367 HB2 LYS 49 2HB LYS 49 15.089 -2.370 4.084
368 HB3 LYS 49 1HB LYS 49 15.324 -2.981 2.453
369 HG2 LYS 49 2HG LYS 49 17.622 -2.166 2.468
370 HG3 LYS 49 1HG LYS 49 17.389 -1.533 4.098
371 HD2 LYS 49 2HD LYS 49 17.187 -4.433 3.283
372 HD3 LYS 49 1HD LYS 49 18.544 -3.691 4.132
373 HE2 LYS 49 2HE LYS 49 15.712 -3.919 5.145
374 HE3 LYS 49 1HE LYS 49 17.090 -4.877 5.684
375 HZ1 LYS 49 3HZ LYS 49 18.134 -2.855 6.495
376 HZ2 LYS 49 1HZ LYS 49 16.616 -3.069 7.212
377 HZ3 LYS 49 2HZ LYS 49 16.816 -1.933 5.973
378 H ASP 50 HN ASP 50 14.369 -1.384 0.253
379 HA ASP 50 HA ASP 50 16.868 -0.701 -1.064
380 HB2 ASP 50 2HB ASP 50 15.499 -2.798 -1.608
381 HB3 ASP 50 1HB ASP 50 14.353 -1.712 -2.391
382 H TYR 51 HN TYR 51 13.665 0.541 -0.523
383 HA TYR 51 HA TYR 51 13.620 2.340 -2.669
384 HD1 TYR 51 HD1 TYR 51 12.397 3.380 -3.717
385 HD2 TYR 51 HD2 TYR 51 9.658 1.621 -0.980
386 HE1 TYR 51 HE1 TYR 51 10.715 3.229 -5.504
387 HE2 TYR 51 HE2 TYR 51 7.969 1.470 -2.756
388 HH TYR 51 HH TYR 51 8.699 1.901 -6.029
389 HB2 TYR 51 2HB TYR 51 11.961 1.876 -0.389
390 HB3 TYR 51 1HB TYR 51 12.122 3.580 -0.689
391 H GLU 52 HN GLU 52 13.791 3.080 0.749
392 HA GLU 52 HA GLU 52 15.023 5.614 0.271
393 HB2 GLU 52 2HB GLU 52 14.864 5.885 2.721
394 HB3 GLU 52 1HB GLU 52 13.331 5.449 1.979
395 HG2 GLU 52 2HG GLU 52 13.615 3.148 2.688
396 HG3 GLU 52 1HG GLU 52 15.180 3.547 3.394
397 H ASP 53 HN ASP 53 15.934 2.589 1.848
398 HA ASP 53 HA ASP 53 18.581 3.546 2.476
399 HB2 ASP 53 2HB ASP 53 16.952 1.153 3.047
400 HB3 ASP 53 1HB ASP 53 18.692 0.881 2.960
401 H GLY 54 HN GLY 54 17.065 1.794 -0.105
402 HA2 GLY 54 2HA GLY 54 19.511 0.640 -1.101
403 HA3 GLY 54 1HA GLY 54 17.957 0.652 -1.919
404 H LEU 55 HN LEU 55 17.344 3.214 -2.290
405 HA LEU 55 HA LEU 55 19.107 4.014 -4.365
406 HG LEU 55 HG LEU 55 15.964 3.538 -3.983
407 HB2 LEU 55 2HB LEU 55 16.899 5.596 -3.045
408 HB3 LEU 55 1HB LEU 55 17.653 5.967 -4.583
409 HD11 LEU 55 1HD1 LEU 55 14.371 4.552 -5.527
410 HD12 LEU 55 2HD1 LEU 55 15.423 5.956 -5.699
411 HD13 LEU 55 3HD1 LEU 55 14.673 5.602 -4.143
412 HD21 LEU 55 3HD2 LEU 55 17.710 2.997 -5.575
413 HD22 LEU 55 1HD2 LEU 55 17.305 4.420 -6.535
414 HD23 LEU 55 2HD2 LEU 55 16.151 3.094 -6.394
415 H GLU 56 HN GLU 56 18.248 5.602 -1.288
416 HA GLU 56 HA GLU 56 20.595 7.298 -1.498
417 HB2 GLU 56 2HB GLU 56 18.463 7.210 0.624
418 HB3 GLU 56 1HB GLU 56 19.710 8.437 0.476
419 HG2 GLU 56 2HG GLU 56 18.776 9.138 -1.662
420 HG3 GLU 56 1HG GLU 56 17.531 7.896 -1.529
421 H TYR 57 HN TYR 57 21.544 4.898 -1.351
422 HA TYR 57 HA TYR 57 21.949 3.955 1.334
423 HD1 TYR 57 HD1 TYR 57 22.245 0.951 1.449
424 HD2 TYR 57 HD2 TYR 57 25.522 2.877 -0.464
425 HE1 TYR 57 HE1 TYR 57 23.807 -0.524 2.648
426 HE2 TYR 57 HE2 TYR 57 27.091 1.406 0.729
427 HH TYR 57 HH TYR 57 27.154 0.045 2.765
428 HB2 TYR 57 2HB TYR 57 21.904 2.364 -0.506
429 HB3 TYR 57 1HB TYR 57 23.258 3.178 -1.280
430 HA ALA 1 HA ALA 1 -7.798 -9.140 6.929
431 H1 ALA 1 1H ALA 1 -9.317 -8.744 8.753
432 H2 ALA 1 2H ALA 1 -8.986 -10.395 8.591
433 H3 ALA 1 3H ALA 1 -10.464 -9.773 8.053
434 HB1 ALA 1 3HB ALA 1 -10.064 -10.759 5.775
435 HB2 ALA 1 1HB ALA 1 -8.545 -11.404 6.398
436 HB3 ALA 1 2HB ALA 1 -8.544 -10.376 4.966
437 HA PRO 2 HA PRO 2 -10.281 -5.323 6.262
438 HB2 PRO 2 1HB PRO 2 -8.642 -3.704 6.069
439 HB3 PRO 2 2HB PRO 2 -7.618 -4.719 5.047
440 HG2 PRO 2 2HG PRO 2 -6.498 -4.909 7.082
441 HG3 PRO 2 1HG PRO 2 -7.999 -4.788 8.018
442 HD2 PRO 2 2HD PRO 2 -6.814 -7.141 6.630
443 HD3 PRO 2 1HD PRO 2 -7.784 -7.074 8.114
444 HA PRO 3 HA PRO 3 -11.126 -7.054 2.109
445 HB2 PRO 3 1HB PRO 3 -13.407 -6.955 1.977
446 HB3 PRO 3 2HB PRO 3 -13.456 -5.247 2.426
447 HG2 PRO 3 2HG PRO 3 -14.236 -6.194 4.397
448 HG3 PRO 3 1HG PRO 3 -13.271 -7.666 4.177
449 HD2 PRO 3 2HD PRO 3 -12.426 -4.977 5.179
450 HD3 PRO 3 1HD PRO 3 -11.940 -6.591 5.736
451 H GLY 4 HN GLY 4 -11.168 -3.698 3.192
452 HA2 GLY 4 2HA GLY 4 -11.359 -2.446 0.693
453 HA3 GLY 4 1HA GLY 4 -10.606 -1.745 2.118
454 H THR 5 HN THR 5 -10.099 -3.405 -0.867
455 HA THR 5 HA THR 5 -7.309 -2.653 -0.864
456 HB THR 5 HB THR 5 -6.423 -4.862 -1.343
457 HG1 THR 5 HG1 THR 5 -8.190 -5.888 -2.268
458 HG21 THR 5 3HG2 THR 5 -6.487 -4.165 0.998
459 HG22 THR 5 1HG2 THR 5 -6.720 -5.907 0.857
460 HG23 THR 5 2HG2 THR 5 -8.100 -4.856 1.168
461 H ALA 6 HN ALA 6 -6.357 -2.644 -2.972
462 HA ALA 6 HA ALA 6 -7.949 -3.593 -5.198
463 HB1 ALA 6 3HB ALA 6 -8.895 -1.700 -5.805
464 HB2 ALA 6 1HB ALA 6 -7.344 -0.862 -5.789
465 HB3 ALA 6 2HB ALA 6 -8.297 -0.979 -4.312
466 H ARG 7 HN ARG 7 -5.520 -0.981 -5.168
467 HA ARG 7 HA ARG 7 -4.165 -1.830 -7.400
468 HE ARG 7 HE ARG 7 -5.146 2.541 -7.970
469 HB2 ARG 7 2HB ARG 7 -3.025 -0.345 -5.045
470 HB3 ARG 7 1HB ARG 7 -2.237 -0.499 -6.602
471 HG2 ARG 7 2HG ARG 7 -4.888 0.834 -6.093
472 HG3 ARG 7 1HG ARG 7 -3.351 1.648 -6.395
473 HD2 ARG 7 2HD ARG 7 -3.235 0.608 -8.605
474 HD3 ARG 7 1HD ARG 7 -4.765 -0.213 -8.303
475 HH11 ARG 7 1HH1 ARG 7 -4.446 0.233 -10.482
476 HH12 ARG 7 2HH1 ARG 7 -5.211 1.161 -11.728
477 HH21 ARG 7 2HH2 ARG 7 -6.185 3.171 -11.228
478 HH22 ARG 7 1HH2 ARG 7 -6.158 3.771 -9.604
479 H ARG 8 HN ARG 8 -2.036 -1.920 -4.576
480 HA ARG 8 HA ARG 8 -0.570 -3.532 -3.899
481 HE ARG 8 HE ARG 8 -3.201 -5.426 -0.285
482 HB2 ARG 8 2HB ARG 8 -2.976 -5.128 -4.704
483 HB3 ARG 8 1HB ARG 8 -1.504 -5.956 -4.218
484 HG2 ARG 8 2HG ARG 8 -1.622 -5.122 -2.038
485 HG3 ARG 8 1HG ARG 8 -2.776 -3.863 -2.492
486 HD2 ARG 8 2HD ARG 8 -4.535 -5.395 -2.704
487 HD3 ARG 8 1HD ARG 8 -3.441 -6.777 -2.757
488 HH11 ARG 8 1HH1 ARG 8 -5.341 -7.523 -2.062
489 HH12 ARG 8 2HH1 ARG 8 -6.031 -8.235 -0.642
490 HH21 ARG 8 2HH2 ARG 8 -5.321 -7.573 1.434
491 HH22 ARG 8 1HH2 ARG 8 -4.099 -6.356 1.581
492 H LYS 9 HN LYS 9 0.917 -5.236 -4.706
493 HA LYS 9 HA LYS 9 0.940 -5.490 -7.630
494 HB2 LYS 9 2HB LYS 9 3.391 -4.742 -6.024
495 HB3 LYS 9 1HB LYS 9 3.273 -4.887 -7.771
496 HG2 LYS 9 2HG LYS 9 1.741 -2.867 -6.158
497 HG3 LYS 9 1HG LYS 9 3.298 -2.550 -6.925
498 HD2 LYS 9 2HD LYS 9 2.334 -3.065 -9.110
499 HD3 LYS 9 1HD LYS 9 0.780 -3.410 -8.351
500 HE2 LYS 9 2HE LYS 9 0.794 -1.175 -9.314
501 HE3 LYS 9 1HE LYS 9 0.654 -1.100 -7.557
502 HZ1 LYS 9 3HZ LYS 9 2.226 0.531 -8.376
503 HZ2 LYS 9 1HZ LYS 9 3.148 -0.681 -9.115
504 HZ3 LYS 9 2HZ LYS 9 3.022 -0.623 -7.429
505 H ARG 10 HN ARG 10 3.428 -6.788 -7.814
506 HA ARG 10 HA ARG 10 2.841 -9.429 -7.487
507 HE ARG 10 HE ARG 10 8.175 -7.035 -6.201
508 HB2 ARG 10 2HB ARG 10 5.231 -9.881 -7.651
509 HB3 ARG 10 1HB ARG 10 4.775 -8.586 -8.751
510 HG2 ARG 10 2HG ARG 10 5.688 -6.931 -7.276
511 HG3 ARG 10 1HG ARG 10 6.002 -8.147 -6.034
512 HD2 ARG 10 2HD ARG 10 7.562 -9.272 -7.585
513 HD3 ARG 10 1HD ARG 10 7.286 -7.990 -8.762
514 HH11 ARG 10 1HH1 ARG 10 9.177 -8.263 -9.303
515 HH12 ARG 10 2HH1 ARG 10 10.747 -7.538 -9.227
516 HH21 ARG 10 2HH2 ARG 10 11.354 -6.297 -7.400
517 HH22 ARG 10 1HH2 ARG 10 10.241 -6.078 -6.090
518 H LYS 11 HN LYS 11 3.912 -7.195 -5.065
519 HA LYS 11 HA LYS 11 3.858 -7.349 -2.791
520 1HB LYS 11 1HB LYS 11 3.091 -9.305 -1.640
521 2HB LYS 11 2HB LYS 11 3.326 -10.309 -3.061
522 1HG LYS 11 2HG LYS 11 0.808 -6.613 0.597
523 2HG LYS 11 1HG LYS 11 1.485 -5.883 2.055
524 1HD LYS 11 2HD LYS 11 3.022 -6.567 -0.444
525 2HD LYS 11 1HD LYS 11 2.481 -4.950 0.013
526 1HE LYS 11 1HE LYS 11 4.352 -6.673 1.634
527 2HE LYS 11 2HE LYS 11 3.874 -5.014 1.994
528 1HZ LYS 11 1HZ LYS 11 0.169 -11.739 -0.383
529 2HZ LYS 11 2HZ LYS 11 0.129 -13.065 -1.431
530 3HZ LYS 11 3HZ LYS 11 -1.035 -11.845 -1.567
531 H ALA 12 HN ALA 12 5.925 -6.865 -2.444
532 HA ALA 12 HA ALA 12 7.966 -8.941 -2.711
533 HB1 ALA 12 3HB ALA 12 8.205 -6.550 -3.628
534 HB2 ALA 12 1HB ALA 12 9.566 -7.245 -2.747
535 HB3 ALA 12 2HB ALA 12 8.495 -6.095 -1.948
536 H ASP 13 HN ASP 13 5.963 -8.958 -0.564
537 HA ASP 13 HA ASP 13 7.687 -8.500 1.774
538 HB2 ASP 13 2HB ASP 13 5.609 -8.523 3.104
539 HB3 ASP 13 1HB ASP 13 5.573 -7.277 1.860
540 H SER 14 HN SER 14 8.255 -10.697 0.287
541 HA SER 14 HA SER 14 8.683 -12.907 0.500
542 HG SER 14 HG SER 14 9.316 -14.492 3.006
543 HB2 SER 14 2HB SER 14 9.197 -12.413 2.832
544 HB3 SER 14 1HB SER 14 7.489 -12.521 3.254
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 9.097 3.382 -5.418
2 H2 GLY 1 2H GLY 1 9.027 2.796 -7.003
3 H3 GLY 1 3H GLY 1 8.933 4.460 -6.713
4 HA2 GLY 1 1HA GLY 1 11.298 2.768 -6.111
5 HA3 GLY 1 2HA GLY 1 11.127 3.762 -7.548
6 H SER 2 HN SER 2 10.044 4.656 -4.308
7 HA SER 2 HA SER 2 12.241 6.090 -3.425
8 HG SER 2 HG SER 2 10.863 9.324 -3.892
9 HB2 SER 2 2HB SER 2 12.128 7.472 -5.382
10 HB3 SER 2 1HB SER 2 10.398 7.732 -5.165
11 H GLN 3 HN GLN 3 8.749 5.908 -3.656
12 HA GLN 3 HA GLN 3 8.389 7.250 -1.116
13 HB2 GLN 3 2HB GLN 3 6.437 5.968 -2.994
14 HB3 GLN 3 1HB GLN 3 5.977 6.788 -1.514
15 HG2 GLN 3 2HG GLN 3 7.392 8.051 -3.852
16 HG3 GLN 3 1HG GLN 3 5.672 8.192 -3.494
17 HE21 GLN 3 2HE2 GLN 3 8.428 10.386 -1.477
18 HE22 GLN 3 1HE2 GLN 3 8.887 9.106 -2.542
19 H VAL 4 HN VAL 4 7.917 6.262 0.799
20 HA VAL 4 HA VAL 4 8.370 3.386 0.875
21 HB VAL 4 HB VAL 4 7.956 5.058 3.326
22 HG11 VAL 4 1HG1 VAL 4 8.177 2.583 3.439
23 HG12 VAL 4 2HG1 VAL 4 9.408 3.454 4.351
24 HG13 VAL 4 3HG1 VAL 4 9.806 2.745 2.787
25 HG21 VAL 4 3HG2 VAL 4 9.524 6.382 2.089
26 HG22 VAL 4 1HG2 VAL 4 10.467 4.953 1.665
27 HG23 VAL 4 2HG2 VAL 4 10.412 5.509 3.337
28 H PHE 5 HN PHE 5 5.990 3.878 -0.286
29 HA PHE 5 HA PHE 5 4.197 2.390 1.253
30 HD1 PHE 5 HD1 PHE 5 5.011 6.293 2.937
31 HD2 PHE 5 HD2 PHE 5 2.578 5.639 -0.492
32 HE1 PHE 5 HE1 PHE 5 5.373 8.624 2.242
33 HE2 PHE 5 HE2 PHE 5 2.934 7.970 -1.195
34 HZ PHE 5 HZ PHE 5 4.334 9.465 0.173
35 HB2 PHE 5 2HB PHE 5 2.496 4.197 1.702
36 HB3 PHE 5 1HB PHE 5 3.942 4.278 2.695
37 H GLU 6 HN GLU 6 2.314 1.866 0.100
38 HA GLU 6 HA GLU 6 1.970 3.142 -2.527
39 HB2 GLU 6 2HB GLU 6 3.147 1.047 -2.899
40 HB3 GLU 6 1HB GLU 6 1.948 0.175 -1.951
41 HG2 GLU 6 2HG GLU 6 1.542 -0.182 -4.288
42 HG3 GLU 6 1HG GLU 6 0.234 0.780 -3.605
43 H TYR 7 HN TYR 7 -0.165 3.334 -3.245
44 HA TYR 7 HA TYR 7 -2.124 3.016 -1.157
45 HD1 TYR 7 HD1 TYR 7 -4.350 3.766 -4.720
46 HD2 TYR 7 HD2 TYR 7 -0.344 5.111 -4.227
47 HE1 TYR 7 HE1 TYR 7 -4.123 3.966 -7.159
48 HE2 TYR 7 HE2 TYR 7 -0.106 5.313 -6.666
49 HH TYR 7 HH TYR 7 -2.755 5.192 -8.785
50 HB2 TYR 7 2HB TYR 7 -3.554 4.385 -2.567
51 HB3 TYR 7 1HB TYR 7 -1.987 5.140 -2.351
52 H ALA 8 HN ALA 8 -3.011 1.116 -0.943
53 HA ALA 8 HA ALA 8 -3.639 -0.535 -3.268
54 HB1 ALA 8 3HB ALA 8 -2.669 -1.679 -1.380
55 HB2 ALA 8 1HB ALA 8 -4.352 -2.186 -1.523
56 HB3 ALA 8 2HB ALA 8 -3.885 -1.012 -0.292
57 H GLU 9 HN GLU 9 -5.061 1.670 -3.538
58 HA GLU 9 HA GLU 9 -7.709 1.148 -2.425
59 HB2 GLU 9 2HB GLU 9 -7.467 3.223 -1.678
60 HB3 GLU 9 1HB GLU 9 -6.057 3.491 -2.678
61 HG2 GLU 9 2HG GLU 9 -8.882 3.787 -3.616
62 HG3 GLU 9 1HG GLU 9 -7.885 5.100 -3.029
63 H VAL 10 HN VAL 10 -9.512 1.423 -3.574
64 HA VAL 10 HA VAL 10 -9.235 0.748 -6.337
65 HB VAL 10 HB VAL 10 -11.667 0.862 -4.636
66 HG11 VAL 10 1HG1 VAL 10 -11.609 -0.784 -7.080
67 HG12 VAL 10 2HG1 VAL 10 -11.638 0.959 -7.333
68 HG13 VAL 10 3HG1 VAL 10 -12.920 0.183 -6.407
69 HG21 VAL 10 3HG2 VAL 10 -10.302 -0.824 -3.749
70 HG22 VAL 10 1HG2 VAL 10 -9.786 -1.354 -5.351
71 HG23 VAL 10 2HG2 VAL 10 -11.430 -1.672 -4.807
72 H ASP 11 HN ASP 11 -10.476 3.320 -4.353
73 HA ASP 11 HA ASP 11 -10.465 5.046 -6.711
74 HB2 ASP 11 2HB ASP 11 -12.800 4.262 -6.270
75 HB3 ASP 11 1HB ASP 11 -12.723 5.066 -4.711
76 H GLU 12 HN GLU 12 -10.432 4.802 -3.170
77 HA GLU 12 HA GLU 12 -8.840 7.210 -3.018
78 HB2 GLU 12 2HB GLU 12 -11.651 7.181 -1.949
79 HB3 GLU 12 1HB GLU 12 -10.425 8.279 -1.330
80 HG2 GLU 12 2HG GLU 12 -11.326 8.123 -4.197
81 HG3 GLU 12 1HG GLU 12 -11.870 9.315 -3.019
82 H ILE 13 HN ILE 13 -7.940 7.633 -0.910
83 HA ILE 13 HA ILE 13 -8.207 5.385 0.982
84 HB ILE 13 HB ILE 13 -5.836 5.246 1.344
85 HG12 ILE 13 2HG1 ILE 13 -5.406 7.726 1.180
86 HG13 ILE 13 1HG1 ILE 13 -4.220 6.751 0.320
87 HG21 ILE 13 1HG2 ILE 13 -6.901 5.106 -1.358
88 HG22 ILE 13 2HG2 ILE 13 -5.942 3.937 -0.455
89 HG23 ILE 13 3HG2 ILE 13 -5.153 5.266 -1.302
90 HD11 ILE 13 3HD1 ILE 13 -6.269 8.605 -0.727
91 HD12 ILE 13 1HD1 ILE 13 -5.881 7.183 -1.696
92 HD13 ILE 13 2HD1 ILE 13 -4.610 8.325 -1.256
93 H VAL 14 HN VAL 14 -6.526 6.238 2.951
94 HA VAL 14 HA VAL 14 -7.075 9.007 3.605
95 HB VAL 14 HB VAL 14 -8.171 6.751 5.293
96 HG11 VAL 14 1HG1 VAL 14 -7.183 8.402 6.753
97 HG12 VAL 14 2HG1 VAL 14 -8.940 8.541 6.823
98 HG13 VAL 14 3HG1 VAL 14 -8.000 9.705 5.888
99 HG21 VAL 14 3HG2 VAL 14 -10.324 7.863 4.931
100 HG22 VAL 14 1HG2 VAL 14 -9.591 7.362 3.407
101 HG23 VAL 14 2HG2 VAL 14 -9.534 9.055 3.900
102 H GLU 15 HN GLU 15 -6.025 5.929 5.031
103 HA GLU 15 HA GLU 15 -3.833 7.286 6.406
104 HB2 GLU 15 2HB GLU 15 -4.688 4.381 6.456
105 HB3 GLU 15 1HB GLU 15 -3.446 5.097 7.474
106 HG2 GLU 15 2HG GLU 15 -5.082 6.480 8.574
107 HG3 GLU 15 1HG GLU 15 -6.344 5.911 7.483
108 H LYS 16 HN LYS 16 -1.670 7.012 5.860
109 HA LYS 16 HA LYS 16 -0.970 5.038 3.843
110 HB2 LYS 16 2HB LYS 16 0.167 6.882 2.473
111 HB3 LYS 16 1HB LYS 16 -1.579 6.731 2.345
112 HG2 LYS 16 2HG LYS 16 -1.852 8.587 3.912
113 HG3 LYS 16 1HG LYS 16 -0.098 8.737 4.032
114 HD2 LYS 16 2HD LYS 16 0.050 9.286 1.678
115 HD3 LYS 16 1HD LYS 16 -1.685 9.031 1.483
116 HE2 LYS 16 2HE LYS 16 -0.407 11.124 3.240
117 HE3 LYS 16 1HE LYS 16 -1.102 11.415 1.646
118 HZ1 LYS 16 3HZ LYS 16 -2.654 11.997 3.397
119 HZ2 LYS 16 1HZ LYS 16 -2.581 10.428 4.026
120 HZ3 LYS 16 2HZ LYS 16 -3.251 10.696 2.496
121 H ARG 17 HN ARG 17 0.474 4.155 5.432
122 HA ARG 17 HA ARG 17 3.016 5.514 5.581
123 HE ARG 17 HE ARG 17 0.157 7.080 8.457
124 HB2 ARG 17 2HB ARG 17 3.177 5.469 8.030
125 HB3 ARG 17 1HB ARG 17 1.879 6.515 7.477
126 HG2 ARG 17 2HG ARG 17 0.311 4.573 7.906
127 HG3 ARG 17 1HG ARG 17 1.657 3.811 8.755
128 HD2 ARG 17 2HD ARG 17 0.294 4.950 10.361
129 HD3 ARG 17 1HD ARG 17 1.822 5.816 10.199
130 HH11 ARG 17 1HH1 ARG 17 0.010 6.303 11.848
131 HH12 ARG 17 2HH1 ARG 17 -0.959 7.678 12.255
132 HH21 ARG 17 2HH2 ARG 17 -1.603 9.154 10.627
133 HH22 ARG 17 1HH2 ARG 17 -1.123 8.898 8.983
134 H GLY 18 HN GLY 18 3.923 3.708 4.503
135 HA2 GLY 18 2HA GLY 18 4.275 1.402 6.242
136 HA3 GLY 18 1HA GLY 18 3.437 1.099 4.742
137 H LYS 19 HN LYS 19 4.709 -0.046 3.572
138 HA LYS 19 HA LYS 19 7.491 0.785 3.162
139 HB2 LYS 19 2HB LYS 19 6.147 -1.895 3.183
140 HB3 LYS 19 1HB LYS 19 7.811 -1.665 2.647
141 HG2 LYS 19 2HG LYS 19 8.369 -0.771 4.873
142 HG3 LYS 19 1HG LYS 19 6.714 -1.107 5.391
143 HD2 LYS 19 2HD LYS 19 7.045 -3.467 4.856
144 HD3 LYS 19 1HD LYS 19 8.709 -3.121 4.390
145 HE2 LYS 19 2HE LYS 19 7.515 -2.694 7.128
146 HE3 LYS 19 1HE LYS 19 8.584 -4.019 6.671
147 HZ1 LYS 19 3HZ LYS 19 9.794 -2.261 7.793
148 HZ2 LYS 19 1HZ LYS 19 9.291 -1.135 6.634
149 HZ3 LYS 19 2HZ LYS 19 10.317 -2.404 6.191
150 H GLY 20 HN GLY 20 6.800 -1.664 1.036
151 HA2 GLY 20 2HA GLY 20 6.289 0.213 -1.121
152 HA3 GLY 20 1HA GLY 20 6.784 -1.470 -1.284
153 H LYS 21 HN LYS 21 5.154 -2.678 0.391
154 HA LYS 21 HA LYS 21 2.412 -2.060 -0.413
155 HB2 LYS 21 2HB LYS 21 3.968 -4.275 -1.330
156 HB3 LYS 21 1HB LYS 21 2.661 -4.882 -0.321
157 HG2 LYS 21 2HG LYS 21 2.368 -3.077 -2.711
158 HG3 LYS 21 1HG LYS 21 1.992 -4.800 -2.652
159 HD2 LYS 21 2HD LYS 21 0.663 -2.690 -0.953
160 HD3 LYS 21 1HD LYS 21 -0.008 -3.342 -2.447
161 HE2 LYS 21 2HE LYS 21 -0.275 -5.489 -1.508
162 HE3 LYS 21 1HE LYS 21 0.750 -5.097 -0.128
163 HZ1 LYS 21 3HZ LYS 21 -0.901 -3.807 0.833
164 HZ2 LYS 21 1HZ LYS 21 -1.770 -5.116 0.204
165 HZ3 LYS 21 2HZ LYS 21 -1.766 -3.632 -0.610
166 H ASP 22 HN ASP 22 4.422 -2.360 2.125
167 HA ASP 22 HA ASP 22 2.769 -3.961 3.825
168 HB2 ASP 22 2HB ASP 22 5.342 -3.843 3.945
169 HB3 ASP 22 1HB ASP 22 5.093 -2.290 4.721
170 H VAL 23 HN VAL 23 2.278 -1.116 2.642
171 HA VAL 23 HA VAL 23 1.721 0.352 5.041
172 HB VAL 23 HB VAL 23 2.657 1.363 2.957
173 HG11 VAL 23 1HG1 VAL 23 0.875 2.038 1.280
174 HG12 VAL 23 2HG1 VAL 23 -0.123 0.768 1.966
175 HG13 VAL 23 3HG1 VAL 23 1.423 0.369 1.218
176 HG21 VAL 23 3HG2 VAL 23 1.829 3.368 3.564
177 HG22 VAL 23 1HG2 VAL 23 1.129 2.425 4.880
178 HG23 VAL 23 2HG2 VAL 23 0.152 2.828 3.469
179 H GLU 24 HN GLU 24 -0.333 1.210 5.509
180 HA GLU 24 HA GLU 24 -2.503 -0.573 4.643
181 HB2 GLU 24 2HB GLU 24 -3.606 0.217 6.815
182 HB3 GLU 24 1HB GLU 24 -2.264 -0.909 6.945
183 HG2 GLU 24 2HG GLU 24 -0.763 1.000 7.413
184 HG3 GLU 24 1HG GLU 24 -2.170 2.062 7.401
185 H TYR 25 HN TYR 25 -3.412 0.512 2.999
186 HA TYR 25 HA TYR 25 -4.045 3.348 3.328
187 HD1 TYR 25 HD1 TYR 25 -3.785 4.917 0.012
188 HD2 TYR 25 HD2 TYR 25 -1.245 2.338 2.216
189 HE1 TYR 25 HE1 TYR 25 -1.922 6.457 -0.381
190 HE2 TYR 25 HE2 TYR 25 0.634 3.874 1.833
191 HH TYR 25 HH TYR 25 0.221 7.020 0.534
192 HB2 TYR 25 2HB TYR 25 -3.516 1.601 0.980
193 HB3 TYR 25 1HB TYR 25 -4.645 2.932 0.766
194 H LEU 26 HN LEU 26 -6.174 4.074 2.768
195 HA LEU 26 HA LEU 26 -8.232 2.130 3.377
196 HG LEU 26 HG LEU 26 -10.563 3.376 3.129
197 HB2 LEU 26 2HB LEU 26 -8.473 4.164 4.578
198 HB3 LEU 26 1HB LEU 26 -8.175 5.129 3.148
199 HD11 LEU 26 1HD1 LEU 26 -10.261 5.812 4.839
200 HD12 LEU 26 2HD1 LEU 26 -10.923 4.235 5.266
201 HD13 LEU 26 3HD1 LEU 26 -11.827 5.312 4.202
202 HD21 LEU 26 3HD2 LEU 26 -9.778 6.027 1.992
203 HD22 LEU 26 1HD2 LEU 26 -11.460 5.494 2.022
204 HD23 LEU 26 2HD2 LEU 26 -10.253 4.548 1.153
205 H VAL 27 HN VAL 27 -10.144 1.954 1.966
206 HA VAL 27 HA VAL 27 -9.649 2.937 -0.712
207 HB VAL 27 HB VAL 27 -9.204 1.110 -1.720
208 HG11 VAL 27 1HG1 VAL 27 -7.747 0.886 0.222
209 HG12 VAL 27 2HG1 VAL 27 -8.118 -0.661 -0.537
210 HG13 VAL 27 3HG1 VAL 27 -8.932 -0.197 0.957
211 HG21 VAL 27 3HG2 VAL 27 -11.410 0.219 -1.826
212 HG22 VAL 27 1HG2 VAL 27 -11.308 -0.361 -0.165
213 HG23 VAL 27 2HG2 VAL 27 -10.322 -1.109 -1.419
214 H ARG 28 HN ARG 28 -11.308 4.107 -1.147
215 HA ARG 28 HA ARG 28 -13.991 3.320 -0.395
216 HE ARG 28 HE ARG 28 -17.350 6.775 -1.224
217 HB2 ARG 28 2HB ARG 28 -13.034 5.758 -0.680
218 HB3 ARG 28 1HB ARG 28 -13.332 5.451 -2.385
219 HG2 ARG 28 2HG ARG 28 -15.695 5.020 -1.887
220 HG3 ARG 28 1HG ARG 28 -15.387 5.400 -0.191
221 HD2 ARG 28 2HD ARG 28 -14.689 7.653 -0.817
222 HD3 ARG 28 1HD ARG 28 -14.964 7.275 -2.516
223 HH11 ARG 28 1HH1 ARG 28 -15.246 9.505 -1.712
224 HH12 ARG 28 2HH1 ARG 28 -16.527 10.669 -1.664
225 HH21 ARG 28 2HH2 ARG 28 -18.691 9.982 -1.349
226 HH22 ARG 28 1HH2 ARG 28 -19.049 8.298 -1.160
227 H TRP 29 HN TRP 29 -13.767 1.300 -1.378
228 HA TRP 29 HA TRP 29 -13.148 0.356 -3.726
229 HD1 TRP 29 HD1 TRP 29 -13.226 -1.136 -5.068
230 HE1 TRP 29 HE1 TRP 29 -13.532 -3.552 -5.902
231 HE3 TRP 29 HE3 TRP 29 -16.864 -2.659 -1.816
232 HZ2 TRP 29 HZ2 TRP 29 -15.111 -5.806 -5.265
233 HZ3 TRP 29 HZ3 TRP 29 -17.718 -4.958 -1.995
234 HH2 TRP 29 HH2 TRP 29 -16.859 -6.499 -3.683
235 HB2 TRP 29 2HB TRP 29 -14.640 -0.603 -1.833
236 HB3 TRP 29 1HB TRP 29 -15.970 -0.134 -2.880
237 H LYS 30 HN LYS 30 -13.025 1.935 -5.280
238 HA LYS 30 HA LYS 30 -14.631 3.651 -6.460
239 HB2 LYS 30 2HB LYS 30 -12.543 2.815 -7.500
240 HB3 LYS 30 1HB LYS 30 -13.412 1.396 -8.061
241 HG2 LYS 30 2HG LYS 30 -14.886 2.857 -9.391
242 HG3 LYS 30 1HG LYS 30 -13.926 4.246 -8.879
243 HD2 LYS 30 2HD LYS 30 -11.961 3.327 -9.949
244 HD3 LYS 30 1HD LYS 30 -12.844 1.860 -10.374
245 HE2 LYS 30 2HE LYS 30 -13.440 4.646 -11.362
246 HE3 LYS 30 1HE LYS 30 -12.665 3.361 -12.287
247 HZ1 LYS 30 3HZ LYS 30 -14.985 3.506 -12.855
248 HZ2 LYS 30 1HZ LYS 30 -15.443 3.337 -11.235
249 HZ3 LYS 30 2HZ LYS 30 -14.705 2.048 -12.045
250 H ASP 31 HN ASP 31 -15.295 0.196 -6.579
251 HA ASP 31 HA ASP 31 -17.969 0.799 -7.663
252 HB2 ASP 31 2HB ASP 31 -16.670 -0.510 -9.265
253 HB3 ASP 31 1HB ASP 31 -16.301 -1.703 -8.024
254 H GLY 32 HN GLY 32 -17.923 1.170 -5.112
255 HA2 GLY 32 2HA GLY 32 -19.217 -1.200 -3.976
256 HA3 GLY 32 1HA GLY 32 -17.846 -0.515 -3.105
257 H GLY 33 HN GLY 33 -19.570 -0.396 -1.420
258 HA2 GLY 33 2HA GLY 33 -21.073 2.135 -1.703
259 HA3 GLY 33 1HA GLY 33 -21.677 0.756 -0.795
260 H ASP 34 HN ASP 34 -19.258 0.054 0.503
261 HA ASP 34 HA ASP 34 -18.956 2.354 2.320
262 HB2 ASP 34 2HB ASP 34 -20.077 0.393 3.332
263 HB3 ASP 34 1HB ASP 34 -18.666 -0.592 2.953
264 H CYS 35 HN CYS 35 -16.840 2.413 3.494
265 HA CYS 35 HA CYS 35 -14.661 1.514 1.725
266 HG CYS 35 HG CYS 35 -16.212 4.920 3.733
267 HB2 CYS 35 2HB CYS 35 -13.413 3.525 2.417
268 HB3 CYS 35 1HB CYS 35 -14.924 3.934 1.611
269 H GLU 36 HN GLU 36 -12.826 0.669 2.637
270 HA GLU 36 HA GLU 36 -12.723 0.445 5.560
271 HB2 GLU 36 2HB GLU 36 -13.359 -1.679 3.773
272 HB3 GLU 36 1HB GLU 36 -11.760 -1.992 4.432
273 HG2 GLU 36 2HG GLU 36 -13.526 -3.031 5.760
274 HG3 GLU 36 1HG GLU 36 -12.619 -1.836 6.685
275 H TRP 37 HN TRP 37 -10.517 -0.778 6.099
276 HA TRP 37 HA TRP 37 -8.446 0.781 4.741
277 HD1 TRP 37 HD1 TRP 37 -8.916 2.795 5.860
278 HE1 TRP 37 HE1 TRP 37 -10.011 4.271 7.662
279 HE3 TRP 37 HE3 TRP 37 -8.766 -0.477 9.783
280 HZ2 TRP 37 HZ2 TRP 37 -10.717 4.073 10.388
281 HZ3 TRP 37 HZ3 TRP 37 -9.672 0.244 11.954
282 HH2 TRP 37 HH2 TRP 37 -10.626 2.472 12.248
283 HB2 TRP 37 2HB TRP 37 -8.332 -0.714 7.367
284 HB3 TRP 37 1HB TRP 37 -7.091 0.352 6.725
285 H VAL 38 HN VAL 38 -6.525 -0.140 3.998
286 HA VAL 38 HA VAL 38 -6.741 -2.942 3.228
287 HB VAL 38 HB VAL 38 -4.577 -0.939 2.560
288 HG11 VAL 38 1HG1 VAL 38 -5.104 -3.756 1.685
289 HG12 VAL 38 2HG1 VAL 38 -3.608 -3.046 2.293
290 HG13 VAL 38 3HG1 VAL 38 -4.185 -2.643 0.680
291 HG21 VAL 38 3HG2 VAL 38 -7.222 -1.162 1.580
292 HG22 VAL 38 1HG2 VAL 38 -6.126 -1.697 0.307
293 HG23 VAL 38 2HG2 VAL 38 -5.931 -0.098 1.020
294 H LYS 39 HN LYS 39 -4.856 -4.389 3.503
295 HA LYS 39 HA LYS 39 -3.951 -4.237 6.200
296 HB2 LYS 39 2HB LYS 39 -4.639 -6.378 5.247
297 HB3 LYS 39 1HB LYS 39 -3.352 -6.269 4.055
298 HG2 LYS 39 2HG LYS 39 -1.682 -6.433 5.800
299 HG3 LYS 39 1HG LYS 39 -2.945 -6.450 7.033
300 HD2 LYS 39 2HD LYS 39 -2.468 -8.529 4.899
301 HD3 LYS 39 1HD LYS 39 -2.185 -8.708 6.632
302 HE2 LYS 39 2HE LYS 39 -4.834 -8.349 5.241
303 HE3 LYS 39 1HE LYS 39 -4.253 -9.792 6.070
304 HZ1 LYS 39 3HZ LYS 39 -4.849 -7.176 7.346
305 HZ2 LYS 39 1HZ LYS 39 -4.262 -8.545 8.150
306 HZ3 LYS 39 2HZ LYS 39 -5.801 -8.570 7.448
307 H GLY 40 HN GLY 40 -2.408 -2.957 6.753
308 HA2 GLY 40 2HA GLY 40 -0.164 -2.465 4.985
309 HA3 GLY 40 1HA GLY 40 -0.489 -1.642 6.503
310 H VAL 41 HN VAL 41 -0.259 -5.100 5.834
311 HA VAL 41 HA VAL 41 2.053 -5.239 7.652
312 HB VAL 41 HB VAL 41 0.334 -7.611 7.037
313 HG11 VAL 41 1HG1 VAL 41 2.453 -7.975 8.164
314 HG12 VAL 41 2HG1 VAL 41 1.107 -8.344 9.240
315 HG13 VAL 41 3HG1 VAL 41 1.996 -6.834 9.429
316 HG21 VAL 41 3HG2 VAL 41 -0.237 -5.580 9.197
317 HG22 VAL 41 1HG2 VAL 41 -1.045 -7.136 9.011
318 HG23 VAL 41 2HG2 VAL 41 -1.234 -5.891 7.776
319 H HIS 42 HN HIS 42 1.241 -5.301 4.462
320 HA HIS 42 HA HIS 42 2.651 -7.606 3.593
321 HD1 HIS 42 HD1 HIS 42 2.640 -7.453 -0.222
322 HD2 HIS 42 HD2 HIS 42 -0.259 -8.256 2.644
323 HE1 HIS 42 HE1 HIS 42 1.461 -9.527 -1.021
324 HE2 HIS 42 HE2 HIS 42 -0.298 -9.988 0.724
325 HB2 HIS 42 2HB HIS 42 1.011 -5.604 2.425
326 HB3 HIS 42 1HB HIS 42 2.525 -5.677 1.515
327 H VAL 43 HN VAL 43 4.421 -7.343 4.922
328 HA VAL 43 HA VAL 43 6.312 -5.321 4.713
329 HB VAL 43 HB VAL 43 6.340 -6.850 6.560
330 HG11 VAL 43 1HG1 VAL 43 7.271 -8.995 4.666
331 HG12 VAL 43 2HG1 VAL 43 5.614 -8.841 5.247
332 HG13 VAL 43 3HG1 VAL 43 6.920 -9.158 6.386
333 HG21 VAL 43 3HG2 VAL 43 8.893 -7.266 5.021
334 HG22 VAL 43 1HG2 VAL 43 8.682 -7.208 6.770
335 HG23 VAL 43 2HG2 VAL 43 8.464 -5.747 5.806
336 H ALA 44 HN ALA 44 6.165 -5.049 2.361
337 HA ALA 44 HA ALA 44 7.927 -6.811 0.867
338 HB1 ALA 44 3HB ALA 44 7.348 -5.402 -1.062
339 HB2 ALA 44 1HB ALA 44 6.440 -4.326 -0.001
340 HB3 ALA 44 2HB ALA 44 5.902 -5.988 -0.241
341 H GLU 45 HN GLU 45 9.307 -5.875 2.868
342 HA GLU 45 HA GLU 45 10.473 -3.399 2.896
343 HB2 GLU 45 2HB GLU 45 10.910 -5.078 4.608
344 HB3 GLU 45 1HB GLU 45 11.795 -6.062 3.449
345 HG2 GLU 45 2HG GLU 45 13.474 -4.296 3.238
346 HG3 GLU 45 1HG GLU 45 12.589 -3.322 4.411
347 H ASP 46 HN ASP 46 10.934 -5.958 0.627
348 HA ASP 46 HA ASP 46 13.382 -5.032 -0.497
349 HB2 ASP 46 2HB ASP 46 12.552 -7.320 -0.845
350 HB3 ASP 46 1HB ASP 46 11.187 -6.685 -1.753
351 H VAL 47 HN VAL 47 9.979 -4.437 -1.200
352 HA VAL 47 HA VAL 47 10.425 -2.869 -3.518
353 HB VAL 47 HB VAL 47 8.104 -2.795 -1.578
354 HG11 VAL 47 1HG1 VAL 47 8.278 -0.782 -3.005
355 HG12 VAL 47 2HG1 VAL 47 6.844 -1.747 -3.359
356 HG13 VAL 47 3HG1 VAL 47 8.244 -1.821 -4.429
357 HG21 VAL 47 3HG2 VAL 47 8.487 -5.008 -2.577
358 HG22 VAL 47 1HG2 VAL 47 8.399 -4.286 -4.183
359 HG23 VAL 47 2HG2 VAL 47 6.981 -4.279 -3.135
360 H ALA 48 HN ALA 48 9.938 -2.092 -0.171
361 HA ALA 48 HA ALA 48 10.097 0.701 -0.213
362 HB1 ALA 48 3HB ALA 48 10.290 0.524 2.201
363 HB2 ALA 48 1HB ALA 48 10.580 -1.210 2.058
364 HB3 ALA 48 2HB ALA 48 9.020 -0.535 1.587
365 H LYS 49 HN LYS 49 12.451 -1.766 0.871
366 HA LYS 49 HA LYS 49 14.542 0.055 1.360
367 HB2 LYS 49 2HB LYS 49 14.544 -2.902 0.750
368 HB3 LYS 49 1HB LYS 49 16.019 -2.010 1.091
369 HG2 LYS 49 2HG LYS 49 13.663 -2.281 2.947
370 HG3 LYS 49 1HG LYS 49 15.189 -3.159 3.072
371 HD2 LYS 49 2HD LYS 49 16.365 -0.991 3.311
372 HD3 LYS 49 1HD LYS 49 14.799 -0.174 3.299
373 HE2 LYS 49 2HE LYS 49 14.141 -1.436 5.300
374 HE3 LYS 49 1HE LYS 49 15.719 -2.223 5.314
375 HZ1 LYS 49 3HZ LYS 49 16.746 -0.041 5.603
376 HZ2 LYS 49 1HZ LYS 49 15.671 -0.389 6.863
377 HZ3 LYS 49 2HZ LYS 49 15.219 0.686 5.638
378 H ASP 50 HN ASP 50 13.406 -1.553 -1.492
379 HA ASP 50 HA ASP 50 15.643 -0.590 -3.087
380 HB2 ASP 50 2HB ASP 50 14.541 -2.916 -3.318
381 HB3 ASP 50 1HB ASP 50 13.238 -2.061 -4.142
382 H TYR 51 HN TYR 51 12.596 0.481 -2.074
383 HA TYR 51 HA TYR 51 11.966 1.941 -4.421
384 HD1 TYR 51 HD1 TYR 51 10.987 0.425 -4.974
385 HD2 TYR 51 HD2 TYR 51 7.919 2.339 -2.725
386 HE1 TYR 51 HE1 TYR 51 9.295 -0.519 -6.481
387 HE2 TYR 51 HE2 TYR 51 6.224 1.398 -4.227
388 HH TYR 51 HH TYR 51 6.898 -1.073 -6.443
389 HB2 TYR 51 2HB TYR 51 10.642 1.438 -1.904
390 HB3 TYR 51 1HB TYR 51 10.345 3.035 -2.551
391 H GLU 52 HN GLU 52 12.503 2.870 -1.059
392 HA GLU 52 HA GLU 52 13.247 5.558 -1.842
393 HB2 GLU 52 2HB GLU 52 13.163 6.107 0.483
394 HB3 GLU 52 1HB GLU 52 11.774 5.084 0.136
395 HG2 GLU 52 2HG GLU 52 12.979 3.157 1.059
396 HG3 GLU 52 1HG GLU 52 14.346 4.206 1.433
397 H ASP 53 HN ASP 53 14.682 2.796 -0.172
398 HA ASP 53 HA ASP 53 17.270 4.052 0.008
399 HB2 ASP 53 2HB ASP 53 16.047 1.487 0.899
400 HB3 ASP 53 1HB ASP 53 17.803 1.545 0.735
401 H GLY 54 HN GLY 54 15.609 2.058 -2.255
402 HA2 GLY 54 2HA GLY 54 17.889 0.839 -3.455
403 HA3 GLY 54 1HA GLY 54 16.291 0.974 -4.171
404 H LEU 55 HN LEU 55 16.026 3.762 -4.174
405 HA LEU 55 HA LEU 55 17.569 4.403 -6.503
406 HG LEU 55 HG LEU 55 17.103 7.538 -6.183
407 HB2 LEU 55 2HB LEU 55 15.266 5.143 -6.318
408 HB3 LEU 55 1HB LEU 55 15.640 6.045 -4.861
409 HD11 LEU 55 1HD1 LEU 55 16.996 7.463 -8.626
410 HD12 LEU 55 2HD1 LEU 55 16.044 5.981 -8.538
411 HD13 LEU 55 3HD1 LEU 55 17.710 5.993 -7.961
412 HD21 LEU 55 3HD2 LEU 55 15.308 8.719 -7.349
413 HD22 LEU 55 1HD2 LEU 55 14.781 8.152 -5.764
414 HD23 LEU 55 2HD2 LEU 55 14.281 7.290 -7.220
415 H GLU 56 HN GLU 56 17.187 6.128 -3.402
416 HA GLU 56 HA GLU 56 19.741 7.439 -3.811
417 HB2 GLU 56 2HB GLU 56 17.723 7.698 -1.592
418 HB3 GLU 56 1HB GLU 56 19.172 8.677 -1.749
419 HG2 GLU 56 2HG GLU 56 18.342 9.565 -3.867
420 HG3 GLU 56 1HG GLU 56 16.886 8.584 -3.706
421 H TYR 57 HN TYR 57 20.538 5.042 -3.684
422 HA TYR 57 HA TYR 57 20.927 4.068 -0.990
423 HD1 TYR 57 HD1 TYR 57 20.966 1.065 -0.768
424 HD2 TYR 57 HD2 TYR 57 24.230 2.575 -3.041
425 HE1 TYR 57 HE1 TYR 57 22.473 -0.521 0.355
426 HE2 TYR 57 HE2 TYR 57 25.747 0.994 -1.925
427 HH TYR 57 HH TYR 57 24.632 -1.610 -0.052
428 HB2 TYR 57 2HB TYR 57 20.591 2.437 -2.748
429 HB3 TYR 57 1HB TYR 57 21.947 3.088 -3.662
430 HA ALA 1 HA ALA 1 -11.436 -8.555 2.253
431 H1 ALA 1 1H ALA 1 -13.202 -9.905 2.394
432 H2 ALA 1 2H ALA 1 -13.065 -10.478 0.811
433 H3 ALA 1 3H ALA 1 -13.757 -8.962 1.102
434 HB1 ALA 1 3HB ALA 1 -9.650 -9.579 0.949
435 HB2 ALA 1 1HB ALA 1 -10.837 -10.511 0.041
436 HB3 ALA 1 2HB ALA 1 -10.625 -10.798 1.767
437 HA PRO 2 HA PRO 2 -11.290 -7.122 -2.553
438 HB2 PRO 2 1HB PRO 2 -13.045 -7.444 -4.011
439 HB3 PRO 2 2HB PRO 2 -14.267 -7.284 -2.746
440 HG2 PRO 2 2HG PRO 2 -14.249 -9.597 -2.992
441 HG3 PRO 2 1HG PRO 2 -12.533 -9.624 -3.436
442 HD2 PRO 2 2HD PRO 2 -13.790 -9.555 -0.749
443 HD3 PRO 2 1HD PRO 2 -12.236 -10.243 -1.255
444 HA PRO 3 HA PRO 3 -14.179 -3.607 -0.982
445 HB2 PRO 3 1HB PRO 3 -16.197 -3.969 -0.025
446 HB3 PRO 3 2HB PRO 3 -15.433 -4.486 1.479
447 HG2 PRO 3 2HG PRO 3 -16.280 -6.534 0.893
448 HG3 PRO 3 1HG PRO 3 -16.363 -6.109 -0.826
449 HD2 PRO 3 2HD PRO 3 -14.022 -7.074 0.779
450 HD3 PRO 3 1HD PRO 3 -14.527 -7.534 -0.862
451 H GLY 4 HN GLY 4 -12.692 -2.210 -0.253
452 HA2 GLY 4 2HA GLY 4 -11.767 -0.988 1.581
453 HA3 GLY 4 1HA GLY 4 -11.833 -2.454 2.542
454 H THR 5 HN THR 5 -10.634 -2.973 -0.600
455 HA THR 5 HA THR 5 -7.879 -2.466 0.100
456 HB THR 5 HB THR 5 -8.815 -5.299 -0.372
457 HG1 THR 5 HG1 THR 5 -9.160 -4.704 1.762
458 HG21 THR 5 3HG2 THR 5 -6.035 -4.190 0.043
459 HG22 THR 5 1HG2 THR 5 -6.663 -4.912 -1.437
460 HG23 THR 5 2HG2 THR 5 -6.451 -5.903 0.006
461 H ALA 6 HN ALA 6 -6.388 -2.737 -1.639
462 HA ALA 6 HA ALA 6 -7.185 -3.566 -4.228
463 HB1 ALA 6 3HB ALA 6 -8.294 -1.199 -3.714
464 HB2 ALA 6 1HB ALA 6 -7.725 -1.658 -5.320
465 HB3 ALA 6 2HB ALA 6 -6.715 -0.654 -4.283
466 H ARG 7 HN ARG 7 -4.980 -4.233 -2.742
467 HA ARG 7 HA ARG 7 -2.654 -2.792 -2.964
468 HE ARG 7 HE ARG 7 -4.219 -8.505 -3.672
469 HB2 ARG 7 2HB ARG 7 -1.482 -5.008 -3.096
470 HB3 ARG 7 1HB ARG 7 -2.658 -4.882 -1.794
471 HG2 ARG 7 2HG ARG 7 -4.296 -6.067 -3.246
472 HG3 ARG 7 1HG ARG 7 -2.997 -6.316 -4.416
473 HD2 ARG 7 2HD ARG 7 -1.722 -7.566 -2.779
474 HD3 ARG 7 1HD ARG 7 -2.944 -7.248 -1.548
475 HH11 ARG 7 1HH1 ARG 7 -1.739 -9.222 -1.337
476 HH12 ARG 7 2HH1 ARG 7 -2.076 -10.920 -1.306
477 HH21 ARG 7 2HH2 ARG 7 -3.746 -11.784 -2.615
478 HH22 ARG 7 1HH2 ARG 7 -4.676 -10.740 -3.638
479 H ARG 8 HN ARG 8 -1.284 -2.169 -4.597
480 HA ARG 8 HA ARG 8 -1.768 -3.391 -7.233
481 HE ARG 8 HE ARG 8 -3.620 1.129 -7.346
482 HB2 ARG 8 2HB ARG 8 -1.645 -1.194 -8.311
483 HB3 ARG 8 1HB ARG 8 -3.004 -1.308 -7.202
484 HG2 ARG 8 2HG ARG 8 -2.073 0.154 -5.693
485 HG3 ARG 8 1HG ARG 8 -0.426 -0.162 -6.243
486 HD2 ARG 8 2HD ARG 8 -1.141 2.051 -6.932
487 HD3 ARG 8 1HD ARG 8 -0.907 1.009 -8.335
488 HH11 ARG 8 1HH1 ARG 8 -1.266 2.493 -9.528
489 HH12 ARG 8 2HH1 ARG 8 -2.455 3.160 -10.595
490 HH21 ARG 8 2HH2 ARG 8 -4.683 2.888 -10.149
491 HH22 ARG 8 1HH2 ARG 8 -5.188 2.008 -8.745
492 H LYS 9 HN LYS 9 0.318 -4.386 -6.082
493 HA LYS 9 HA LYS 9 2.521 -3.219 -7.544
494 HB2 LYS 9 2HB LYS 9 2.543 -3.634 -4.557
495 HB3 LYS 9 1HB LYS 9 4.026 -3.622 -5.496
496 HG2 LYS 9 2HG LYS 9 2.169 -1.337 -5.829
497 HG3 LYS 9 1HG LYS 9 3.079 -1.455 -4.325
498 HD2 LYS 9 2HD LYS 9 4.251 -0.095 -5.993
499 HD3 LYS 9 1HD LYS 9 5.166 -1.542 -5.571
500 HE2 LYS 9 2HE LYS 9 5.241 -1.167 -7.964
501 HE3 LYS 9 1HE LYS 9 4.343 -2.638 -7.609
502 HZ1 LYS 9 3HZ LYS 9 2.281 -1.309 -7.834
503 HZ2 LYS 9 1HZ LYS 9 3.175 -1.405 -9.267
504 HZ3 LYS 9 2HZ LYS 9 3.215 0.008 -8.340
505 H ARG 10 HN ARG 10 4.549 -4.825 -7.050
506 HA ARG 10 HA ARG 10 3.797 -7.321 -8.124
507 HE ARG 10 HE ARG 10 8.347 -5.729 -8.396
508 HB2 ARG 10 2HB ARG 10 6.186 -7.939 -7.450
509 HB3 ARG 10 1HB ARG 10 6.000 -6.579 -8.555
510 HG2 ARG 10 2HG ARG 10 6.558 -5.026 -6.960
511 HG3 ARG 10 1HG ARG 10 6.101 -6.082 -5.620
512 HD2 ARG 10 2HD ARG 10 8.497 -5.904 -5.663
513 HD3 ARG 10 1HD ARG 10 8.061 -7.525 -6.206
514 HH11 ARG 10 1HH1 ARG 10 10.146 -7.654 -6.120
515 HH12 ARG 10 2HH1 ARG 10 11.526 -7.818 -7.153
516 HH21 ARG 10 2HH2 ARG 10 11.533 -6.839 -9.225
517 HH22 ARG 10 1HH2 ARG 10 10.156 -5.934 -9.763
518 H LYS 11 HN LYS 11 4.176 -6.112 -4.895
519 HA LYS 11 HA LYS 11 3.603 -6.961 -2.872
520 HB2 LYS 11 2HB LYS 11 2.709 -9.466 -4.295
521 HB3 LYS 11 1HB LYS 11 2.236 -8.914 -2.693
522 HG2 LYS 11 2HG LYS 11 0.736 -7.412 -3.497
523 HG3 LYS 11 1HG LYS 11 1.648 -7.129 -4.984
524 HD2 LYS 11 2HD LYS 11 0.944 -9.255 -5.871
525 HD3 LYS 11 1HD LYS 11 0.132 -9.657 -4.357
526 HE2 LYS 11 2HE LYS 11 -1.490 -8.924 -6.002
527 HE3 LYS 11 1HE LYS 11 -1.390 -7.755 -4.687
528 HZ1 LYS 11 3HZ LYS 11 0.013 -6.365 -6.068
529 HZ2 LYS 11 1HZ LYS 11 -1.455 -6.674 -6.850
530 HZ3 LYS 11 2HZ LYS 11 -0.053 -7.492 -7.326
531 H ALA 12 HN ALA 12 6.160 -7.078 -3.666
532 HA ALA 12 HA ALA 12 7.689 -9.240 -3.887
533 HB1 ALA 12 3HB ALA 12 8.554 -6.970 -3.560
534 HB2 ALA 12 1HB ALA 12 9.415 -8.157 -2.578
535 HB3 ALA 12 2HB ALA 12 8.214 -7.100 -1.835
536 H ASP 13 HN ASP 13 5.884 -8.446 -0.986
537 HA ASP 13 HA ASP 13 6.817 -10.966 0.224
538 HB2 ASP 13 2HB ASP 13 7.457 -8.993 1.538
539 HB3 ASP 13 1HB ASP 13 5.771 -8.487 1.609
540 H SER 14 HN SER 14 5.149 -12.005 -1.095
541 HA SER 14 HA SER 14 2.383 -11.429 -0.545
542 HG SER 14 HG SER 14 4.594 -13.712 -2.627
543 HB2 SER 14 2HB SER 14 1.929 -13.391 -1.976
544 HB3 SER 14 1HB SER 14 3.048 -12.269 -2.749
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 8.271 2.199 -5.677
2 H2 GLY 1 2H GLY 1 8.101 1.324 -7.113
3 H3 GLY 1 3H GLY 1 8.144 3.013 -7.153
4 HA2 GLY 1 1HA GLY 1 10.394 1.275 -6.292
5 HA3 GLY 1 2HA GLY 1 10.247 2.008 -7.882
6 H SER 2 HN SER 2 9.385 3.517 -4.802
7 HA SER 2 HA SER 2 11.720 4.928 -4.304
8 HG SER 2 HG SER 2 10.667 8.199 -5.429
9 HB2 SER 2 2HB SER 2 11.489 5.976 -6.465
10 HB3 SER 2 1HB SER 2 9.815 6.407 -6.126
11 H GLN 3 HN GLN 3 8.212 4.956 -4.292
12 HA GLN 3 HA GLN 3 8.116 6.641 -1.947
13 HB2 GLN 3 2HB GLN 3 5.779 6.677 -2.275
14 HB3 GLN 3 1HB GLN 3 6.472 6.666 -3.893
15 HG2 GLN 3 2HG GLN 3 6.091 4.207 -3.967
16 HG3 GLN 3 1HG GLN 3 5.224 4.350 -2.439
17 HE21 GLN 3 2HE2 GLN 3 3.516 5.471 -5.943
18 HE22 GLN 3 1HE2 GLN 3 5.184 5.035 -5.839
19 H VAL 4 HN VAL 4 7.686 5.970 0.102
20 HA VAL 4 HA VAL 4 7.895 3.100 0.591
21 HB VAL 4 HB VAL 4 7.845 4.906 2.916
22 HG11 VAL 4 1HG1 VAL 4 8.399 2.729 3.434
23 HG12 VAL 4 2HG1 VAL 4 9.977 3.507 3.352
24 HG13 VAL 4 3HG1 VAL 4 9.401 2.533 1.999
25 HG21 VAL 4 3HG2 VAL 4 10.131 5.044 0.955
26 HG22 VAL 4 1HG2 VAL 4 10.178 5.662 2.606
27 HG23 VAL 4 2HG2 VAL 4 9.069 6.370 1.433
28 H PHE 5 HN PHE 5 5.500 3.808 -0.448
29 HA PHE 5 HA PHE 5 3.674 2.767 1.395
30 1HB PHE 5 2HB PHE 5 2.250 4.955 1.518
31 2HB PHE 5 1HB PHE 5 3.596 4.739 2.628
32 HD1 PHE 5 HD1 PHE 5 3.992 4.564 2.527
33 HD2 PHE 5 HD2 PHE 5 4.104 7.900 -0.112
34 HE1 PHE 5 HE1 PHE 5 5.942 5.454 3.739
35 HE2 PHE 5 HE2 PHE 5 6.053 8.795 1.093
36 HZ PHE 5 HZ PHE 5 5.447 9.506 -0.076
37 H GLU 6 HN GLU 6 2.380 1.692 0.039
38 HA GLU 6 HA GLU 6 1.694 2.918 -2.552
39 HB2 GLU 6 2HB GLU 6 2.988 0.864 -2.760
40 HB3 GLU 6 1HB GLU 6 1.819 0.001 -1.771
41 HG2 GLU 6 2HG GLU 6 1.524 -0.504 -4.124
42 HG3 GLU 6 1HG GLU 6 0.115 0.336 -3.477
43 H TYR 7 HN TYR 7 -0.394 3.311 -3.043
44 HA TYR 7 HA TYR 7 -2.392 2.761 -1.026
45 HD1 TYR 7 HD1 TYR 7 -4.449 3.825 -4.610
46 HD2 TYR 7 HD2 TYR 7 -0.536 5.259 -3.756
47 HE1 TYR 7 HE1 TYR 7 -4.108 4.294 -6.998
48 HE2 TYR 7 HE2 TYR 7 -0.183 5.733 -6.143
49 HH TYR 7 HH TYR 7 -2.705 5.748 -8.405
50 HB2 TYR 7 2HB TYR 7 -3.789 4.271 -2.357
51 HB3 TYR 7 1HB TYR 7 -2.242 5.001 -1.981
52 H ALA 8 HN ALA 8 -3.349 0.802 -1.090
53 HA ALA 8 HA ALA 8 -3.926 -0.420 -3.689
54 HB1 ALA 8 3HB ALA 8 -4.751 -1.657 -1.101
55 HB2 ALA 8 1HB ALA 8 -3.040 -1.628 -1.530
56 HB3 ALA 8 2HB ALA 8 -4.203 -2.427 -2.588
57 H GLU 9 HN GLU 9 -5.309 1.742 -3.719
58 HA GLU 9 HA GLU 9 -7.984 1.232 -2.648
59 HB2 GLU 9 2HB GLU 9 -7.691 3.264 -1.811
60 HB3 GLU 9 1HB GLU 9 -6.238 3.507 -2.755
61 HG2 GLU 9 2HG GLU 9 -9.024 4.012 -3.735
62 HG3 GLU 9 1HG GLU 9 -7.945 5.232 -3.086
63 H VAL 10 HN VAL 10 -9.778 1.627 -3.777
64 HA VAL 10 HA VAL 10 -9.539 1.044 -6.567
65 HB VAL 10 HB VAL 10 -11.923 1.162 -4.802
66 HG11 VAL 10 1HG1 VAL 10 -12.085 1.475 -7.439
67 HG12 VAL 10 2HG1 VAL 10 -13.273 0.536 -6.538
68 HG13 VAL 10 3HG1 VAL 10 -11.964 -0.282 -7.391
69 HG21 VAL 10 3HG2 VAL 10 -11.838 -1.307 -4.990
70 HG22 VAL 10 1HG2 VAL 10 -10.447 -0.610 -4.157
71 HG23 VAL 10 2HG2 VAL 10 -10.298 -1.145 -5.833
72 H ASP 11 HN ASP 11 -10.692 3.553 -4.459
73 HA ASP 11 HA ASP 11 -10.710 5.397 -6.733
74 1HB ASP 11 1HB ASP 11 -12.903 5.357 -4.659
75 2HB ASP 11 2HB ASP 11 -13.054 4.639 -6.257
76 H GLU 12 HN GLU 12 -10.606 4.959 -3.219
77 HA GLU 12 HA GLU 12 -8.944 7.305 -2.971
78 HB2 GLU 12 2HB GLU 12 -11.715 7.272 -1.788
79 HB3 GLU 12 1HB GLU 12 -10.441 8.321 -1.187
80 HG2 GLU 12 2HG GLU 12 -10.254 9.347 -3.406
81 HG3 GLU 12 1HG GLU 12 -11.562 8.313 -3.979
82 H ILE 13 HN ILE 13 -8.045 7.606 -0.852
83 HA ILE 13 HA ILE 13 -8.199 5.208 0.859
84 HB ILE 13 HB ILE 13 -5.782 5.295 1.258
85 HG12 ILE 13 2HG1 ILE 13 -5.659 7.839 0.955
86 HG13 ILE 13 1HG1 ILE 13 -4.334 6.925 0.247
87 HG21 ILE 13 1HG2 ILE 13 -6.868 5.094 -1.465
88 HG22 ILE 13 2HG2 ILE 13 -5.955 3.912 -0.522
89 HG23 ILE 13 3HG2 ILE 13 -5.120 5.223 -1.347
90 HD11 ILE 13 3HD1 ILE 13 -6.081 8.762 -1.009
91 HD12 ILE 13 1HD1 ILE 13 -6.363 7.167 -1.715
92 HD13 ILE 13 2HD1 ILE 13 -4.738 7.860 -1.711
93 H VAL 14 HN VAL 14 -6.543 6.056 2.887
94 HA VAL 14 HA VAL 14 -7.254 8.751 3.673
95 HB VAL 14 HB VAL 14 -8.216 6.358 5.252
96 HG11 VAL 14 1HG1 VAL 14 -9.012 7.959 6.922
97 HG12 VAL 14 2HG1 VAL 14 -8.264 9.278 6.022
98 HG13 VAL 14 3HG1 VAL 14 -7.258 8.031 6.759
99 HG21 VAL 14 3HG2 VAL 14 -9.694 6.991 3.430
100 HG22 VAL 14 1HG2 VAL 14 -9.687 8.667 3.982
101 HG23 VAL 14 2HG2 VAL 14 -10.423 7.413 4.981
102 H GLU 15 HN GLU 15 -5.851 5.664 4.657
103 HA GLU 15 HA GLU 15 -3.808 7.085 6.206
104 HB2 GLU 15 2HB GLU 15 -4.413 4.125 6.035
105 HB3 GLU 15 1HB GLU 15 -3.230 4.869 7.102
106 HG2 GLU 15 2HG GLU 15 -4.990 6.042 8.281
107 HG3 GLU 15 1HG GLU 15 -6.195 5.384 7.175
108 H LYS 16 HN LYS 16 -1.612 6.896 5.730
109 HA LYS 16 HA LYS 16 -0.780 5.211 3.528
110 HB2 LYS 16 2HB LYS 16 0.261 7.179 2.318
111 HB3 LYS 16 1HB LYS 16 -1.492 7.071 2.238
112 HG2 LYS 16 2HG LYS 16 -1.638 8.736 4.060
113 HG3 LYS 16 1HG LYS 16 0.118 8.899 4.001
114 HD2 LYS 16 2HD LYS 16 -0.003 9.659 1.699
115 HD3 LYS 16 1HD LYS 16 -1.751 9.417 1.690
116 HE2 LYS 16 2HE LYS 16 -1.968 11.099 3.475
117 HE3 LYS 16 1HE LYS 16 -0.226 11.364 3.417
118 HZ1 LYS 16 3HZ LYS 16 -1.435 13.031 2.146
119 HZ2 LYS 16 1HZ LYS 16 -2.112 11.825 1.169
120 HZ3 LYS 16 2HZ LYS 16 -0.444 12.106 1.134
121 H ARG 17 HN ARG 17 0.584 4.267 5.222
122 HA ARG 17 HA ARG 17 3.091 5.689 5.513
123 HE ARG 17 HE ARG 17 5.275 5.734 10.089
124 HB2 ARG 17 2HB ARG 17 1.885 6.591 7.416
125 HB3 ARG 17 1HB ARG 17 1.444 4.974 7.944
126 HG2 ARG 17 2HG ARG 17 3.823 4.471 8.318
127 HG3 ARG 17 1HG ARG 17 4.224 6.127 7.855
128 HD2 ARG 17 2HD ARG 17 2.871 6.974 9.705
129 HD3 ARG 17 1HD ARG 17 2.454 5.323 10.162
130 HH11 ARG 17 1HH1 ARG 17 2.416 6.232 12.012
131 HH12 ARG 17 2HH1 ARG 17 3.274 6.258 13.516
132 HH21 ARG 17 2HH2 ARG 17 5.550 5.993 13.545
133 HH22 ARG 17 1HH2 ARG 17 6.416 5.766 12.062
134 H GLY 18 HN GLY 18 3.924 3.870 4.305
135 HA2 GLY 18 2HA GLY 18 4.426 1.590 6.048
136 HA3 GLY 18 1HA GLY 18 3.534 1.254 4.584
137 H LYS 19 HN LYS 19 4.800 0.166 3.346
138 HA LYS 19 HA LYS 19 7.475 1.184 2.749
139 HB2 LYS 19 2HB LYS 19 6.417 -1.560 3.203
140 HB3 LYS 19 1HB LYS 19 7.943 -1.313 2.354
141 HG2 LYS 19 2HG LYS 19 9.034 -0.585 4.220
142 HG3 LYS 19 1HG LYS 19 7.560 0.023 4.977
143 HD2 LYS 19 2HD LYS 19 6.860 -2.183 5.534
144 HD3 LYS 19 1HD LYS 19 8.165 -2.899 4.588
145 HE2 LYS 19 2HE LYS 19 9.789 -1.821 6.118
146 HE3 LYS 19 1HE LYS 19 8.438 -1.234 7.087
147 HZ1 LYS 19 3HZ LYS 19 9.361 -3.247 8.026
148 HZ2 LYS 19 1HZ LYS 19 9.105 -4.081 6.577
149 HZ3 LYS 19 2HZ LYS 19 7.785 -3.535 7.483
150 H GLY 20 HN GLY 20 6.867 -1.508 0.866
151 HA2 GLY 20 2HA GLY 20 6.149 0.166 -1.396
152 HA3 GLY 20 1HA GLY 20 6.770 -1.481 -1.457
153 H LYS 21 HN LYS 21 5.256 -2.660 0.364
154 HA LYS 21 HA LYS 21 2.470 -2.369 -0.497
155 HB2 LYS 21 2HB LYS 21 3.997 -4.971 -0.334
156 HB3 LYS 21 1HB LYS 21 2.286 -4.811 -0.710
157 HG2 LYS 21 2HG LYS 21 2.745 -3.763 -2.778
158 HG3 LYS 21 1HG LYS 21 4.443 -3.532 -2.361
159 HD2 LYS 21 2HD LYS 21 4.718 -5.998 -2.331
160 HD3 LYS 21 1HD LYS 21 3.047 -6.156 -2.881
161 HE2 LYS 21 2HE LYS 21 4.599 -6.333 -4.752
162 HE3 LYS 21 1HE LYS 21 3.593 -4.891 -4.900
163 HZ1 LYS 21 3HZ LYS 21 5.895 -4.410 -5.425
164 HZ2 LYS 21 1HZ LYS 21 6.389 -4.955 -3.901
165 HZ3 LYS 21 2HZ LYS 21 5.425 -3.573 -4.035
166 H ASP 22 HN ASP 22 4.544 -2.351 2.071
167 HA ASP 22 HA ASP 22 2.953 -3.864 3.900
168 HB2 ASP 22 2HB ASP 22 5.503 -3.706 3.972
169 HB3 ASP 22 1HB ASP 22 5.249 -2.082 4.590
170 H VAL 23 HN VAL 23 2.426 -1.070 2.561
171 HA VAL 23 HA VAL 23 1.833 0.475 4.903
172 HB VAL 23 HB VAL 23 2.687 1.425 2.738
173 HG11 VAL 23 1HG1 VAL 23 -0.132 0.781 1.894
174 HG12 VAL 23 2HG1 VAL 23 1.377 0.346 1.098
175 HG13 VAL 23 3HG1 VAL 23 0.836 2.020 1.108
176 HG21 VAL 23 3HG2 VAL 23 1.318 2.538 4.701
177 HG22 VAL 23 1HG2 VAL 23 0.168 2.825 3.406
178 HG23 VAL 23 2HG2 VAL 23 1.810 3.449 3.274
179 H GLU 24 HN GLU 24 -0.205 1.116 5.521
180 HA GLU 24 HA GLU 24 -2.333 -0.682 4.586
181 HB2 GLU 24 2HB GLU 24 -3.406 -0.013 6.848
182 HB3 GLU 24 1HB GLU 24 -2.140 -1.226 6.818
183 HG2 GLU 24 2HG GLU 24 -0.504 0.477 7.478
184 HG3 GLU 24 1HG GLU 24 -1.791 1.681 7.522
185 H TYR 25 HN TYR 25 -3.086 0.675 2.969
186 HA TYR 25 HA TYR 25 -3.838 3.389 3.580
187 HD1 TYR 25 HD1 TYR 25 -3.889 5.071 0.303
188 HD2 TYR 25 HD2 TYR 25 -1.203 2.360 2.137
189 HE1 TYR 25 HE1 TYR 25 -2.026 6.604 -0.169
190 HE2 TYR 25 HE2 TYR 25 0.673 3.872 1.673
191 HH TYR 25 HH TYR 25 1.290 5.685 0.344
192 HB2 TYR 25 2HB TYR 25 -3.578 1.710 1.128
193 HB3 TYR 25 1HB TYR 25 -4.701 3.056 1.061
194 H LEU 26 HN LEU 26 -6.095 3.716 2.110
195 HA LEU 26 HA LEU 26 -8.075 1.846 3.186
196 HG LEU 26 HG LEU 26 -10.461 3.038 3.037
197 HB2 LEU 26 2HB LEU 26 -8.381 3.802 4.500
198 HB3 LEU 26 1HB LEU 26 -8.115 4.854 3.126
199 HD11 LEU 26 1HD1 LEU 26 -10.184 5.358 4.873
200 HD12 LEU 26 2HD1 LEU 26 -10.921 3.784 5.157
201 HD13 LEU 26 3HD1 LEU 26 -11.744 4.973 4.149
202 HD21 LEU 26 3HD2 LEU 26 -11.427 5.172 2.013
203 HD22 LEU 26 1HD2 LEU 26 -10.233 4.266 1.087
204 HD23 LEU 26 2HD2 LEU 26 -9.756 5.721 1.955
205 H VAL 27 HN VAL 27 -10.046 1.718 1.830
206 HA VAL 27 HA VAL 27 -9.589 2.844 -0.812
207 HB VAL 27 HB VAL 27 -9.609 0.972 -1.972
208 HG11 VAL 27 1HG1 VAL 27 -8.393 0.210 0.653
209 HG12 VAL 27 2HG1 VAL 27 -7.591 0.835 -0.789
210 HG13 VAL 27 3HG1 VAL 27 -8.252 -0.801 -0.784
211 HG21 VAL 27 3HG2 VAL 27 -11.687 -0.011 -1.328
212 HG22 VAL 27 1HG2 VAL 27 -11.056 -0.434 0.259
213 HG23 VAL 27 2HG2 VAL 27 -10.453 -1.261 -1.177
214 H ARG 28 HN ARG 28 -11.230 4.040 -1.305
215 HA ARG 28 HA ARG 28 -13.902 3.360 -0.382
216 HE ARG 28 HE ARG 28 -16.901 7.879 -1.978
217 HB2 ARG 28 2HB ARG 28 -12.956 5.761 -0.465
218 HB3 ARG 28 1HB ARG 28 -13.159 5.637 -2.207
219 HG2 ARG 28 2HG ARG 28 -15.533 5.330 -1.962
220 HG3 ARG 28 1HG ARG 28 -15.378 5.301 -0.205
221 HD2 ARG 28 2HD ARG 28 -14.649 7.596 -0.182
222 HD3 ARG 28 1HD ARG 28 -14.608 7.640 -1.943
223 HH11 ARG 28 1HH1 ARG 28 -15.845 7.118 1.259
224 HH12 ARG 28 2HH1 ARG 28 -17.365 7.521 1.983
225 HH21 ARG 28 2HH2 ARG 28 -19.102 8.248 0.685
226 HH22 ARG 28 1HH2 ARG 28 -18.901 8.405 -1.028
227 H TRP 29 HN TRP 29 -13.818 1.383 -1.509
228 HA TRP 29 HA TRP 29 -13.383 0.599 -3.957
229 HD1 TRP 29 HD1 TRP 29 -12.269 -0.722 -3.140
230 HE1 TRP 29 HE1 TRP 29 -11.585 -3.060 -2.310
231 HE3 TRP 29 HE3 TRP 29 -16.895 -2.555 -1.935
232 HZ2 TRP 29 HZ2 TRP 29 -12.833 -5.373 -1.281
233 HZ3 TRP 29 HZ3 TRP 29 -17.059 -4.840 -1.034
234 HH2 TRP 29 HH2 TRP 29 -15.069 -6.218 -0.716
235 HB2 TRP 29 2HB TRP 29 -15.672 0.093 -2.158
236 HB3 TRP 29 1HB TRP 29 -15.803 -0.509 -3.811
237 H LYS 30 HN LYS 30 -13.304 2.264 -5.400
238 HA LYS 30 HA LYS 30 -14.952 4.094 -6.347
239 HB2 LYS 30 2HB LYS 30 -12.921 3.240 -7.545
240 HB3 LYS 30 1HB LYS 30 -13.923 1.971 -8.232
241 HG2 LYS 30 2HG LYS 30 -15.323 3.664 -9.310
242 HG3 LYS 30 1HG LYS 30 -14.289 4.929 -8.643
243 HD2 LYS 30 2HD LYS 30 -12.384 4.044 -9.875
244 HD3 LYS 30 1HD LYS 30 -13.386 2.737 -10.509
245 HE2 LYS 30 2HE LYS 30 -13.121 4.512 -12.156
246 HE3 LYS 30 1HE LYS 30 -14.803 4.369 -11.646
247 HZ1 LYS 30 3HZ LYS 30 -14.096 6.678 -11.767
248 HZ2 LYS 30 1HZ LYS 30 -12.866 6.384 -10.643
249 HZ3 LYS 30 2HZ LYS 30 -14.487 6.255 -10.178
250 H ASP 31 HN ASP 31 -15.670 0.661 -6.655
251 HA ASP 31 HA ASP 31 -18.417 1.359 -7.457
252 HB2 ASP 31 2HB ASP 31 -16.846 -1.083 -8.317
253 HB3 ASP 31 1HB ASP 31 -18.518 -0.729 -8.748
254 H GLY 32 HN GLY 32 -17.930 1.305 -4.863
255 HA2 GLY 32 2HA GLY 32 -19.019 -1.286 -3.961
256 HA3 GLY 32 1HA GLY 32 -17.730 -0.475 -3.074
257 H GLY 33 HN GLY 33 -18.729 -0.026 -1.187
258 HA2 GLY 33 2HA GLY 33 -20.800 2.027 -1.282
259 HA3 GLY 33 1HA GLY 33 -21.221 0.524 -0.471
260 H ASP 34 HN ASP 34 -18.945 -0.107 0.880
261 HA ASP 34 HA ASP 34 -18.855 2.033 2.874
262 HB2 ASP 34 2HB ASP 34 -17.958 -0.851 3.074
263 HB3 ASP 34 1HB ASP 34 -17.997 0.309 4.398
264 H CYS 35 HN CYS 35 -16.625 1.884 4.170
265 HA CYS 35 HA CYS 35 -14.453 2.036 2.184
266 HG CYS 35 HG CYS 35 -14.792 5.969 2.424
267 HB2 CYS 35 2HB CYS 35 -14.904 3.867 4.549
268 HB3 CYS 35 1HB CYS 35 -13.515 3.924 3.469
269 H GLU 36 HN GLU 36 -13.219 0.313 2.575
270 HA GLU 36 HA GLU 36 -12.666 -0.463 5.349
271 HB2 GLU 36 2HB GLU 36 -12.248 -1.922 2.745
272 HB3 GLU 36 1HB GLU 36 -11.762 -2.551 4.308
273 HG2 GLU 36 2HG GLU 36 -13.848 -3.541 3.664
274 HG3 GLU 36 1HG GLU 36 -14.114 -2.470 5.038
275 H TRP 37 HN TRP 37 -10.306 -1.664 5.297
276 HA TRP 37 HA TRP 37 -8.432 0.431 4.417
277 HD1 TRP 37 HD1 TRP 37 -8.783 2.176 5.468
278 HE1 TRP 37 HE1 TRP 37 -9.467 3.742 7.396
279 HE3 TRP 37 HE3 TRP 37 -8.224 -1.062 9.384
280 HZ2 TRP 37 HZ2 TRP 37 -9.732 3.619 10.206
281 HZ3 TRP 37 HZ3 TRP 37 -8.711 -0.262 11.659
282 HH2 TRP 37 HH2 TRP 37 -9.450 2.031 12.059
283 HB2 TRP 37 2HB TRP 37 -8.418 -1.362 6.833
284 HB3 TRP 37 1HB TRP 37 -6.984 -0.499 6.297
285 H VAL 38 HN VAL 38 -6.357 -0.183 3.723
286 HA VAL 38 HA VAL 38 -6.309 -2.707 2.292
287 HB VAL 38 HB VAL 38 -4.415 -0.362 2.313
288 HG11 VAL 38 1HG1 VAL 38 -3.321 -1.402 0.377
289 HG12 VAL 38 2HG1 VAL 38 -4.298 -2.849 0.626
290 HG13 VAL 38 3HG1 VAL 38 -3.128 -2.349 1.848
291 HG21 VAL 38 3HG2 VAL 38 -5.251 0.046 0.058
292 HG22 VAL 38 1HG2 VAL 38 -6.538 0.117 1.261
293 HG23 VAL 38 2HG2 VAL 38 -6.365 -1.307 0.239
294 H LYS 39 HN LYS 39 -4.297 -4.035 2.356
295 HA LYS 39 HA LYS 39 -3.672 -4.576 5.100
296 HB2 LYS 39 2HB LYS 39 -4.123 -6.307 3.278
297 HB3 LYS 39 1HB LYS 39 -2.486 -5.980 2.724
298 HG2 LYS 39 2HG LYS 39 -2.484 -7.933 4.120
299 HG3 LYS 39 1HG LYS 39 -1.638 -6.624 4.950
300 HD2 LYS 39 2HD LYS 39 -3.516 -6.207 6.363
301 HD3 LYS 39 1HD LYS 39 -4.538 -7.293 5.420
302 HE2 LYS 39 2HE LYS 39 -2.119 -8.105 7.029
303 HE3 LYS 39 1HE LYS 39 -3.798 -8.322 7.521
304 HZ1 LYS 39 3HZ LYS 39 -2.976 -10.361 6.611
305 HZ2 LYS 39 1HZ LYS 39 -2.451 -9.590 5.197
306 HZ3 LYS 39 2HZ LYS 39 -4.105 -9.719 5.526
307 H GLY 40 HN GLY 40 -2.350 -3.135 5.992
308 HA2 GLY 40 2HA GLY 40 0.175 -2.519 4.644
309 HA3 GLY 40 1HA GLY 40 -0.471 -1.666 6.038
310 H VAL 41 HN VAL 41 -0.466 -5.118 5.924
311 HA VAL 41 HA VAL 41 1.630 -5.166 7.984
312 HB VAL 41 HB VAL 41 0.041 -7.598 7.352
313 HG11 VAL 41 1HG1 VAL 41 0.249 -7.937 9.781
314 HG12 VAL 41 2HG1 VAL 41 1.095 -6.394 9.906
315 HG13 VAL 41 3HG1 VAL 41 1.810 -7.721 8.989
316 HG21 VAL 41 3HG2 VAL 41 -1.728 -5.964 7.430
317 HG22 VAL 41 1HG2 VAL 41 -1.068 -5.258 8.904
318 HG23 VAL 41 2HG2 VAL 41 -1.746 -6.884 8.934
319 H HIS 42 HN HIS 42 1.272 -5.547 4.717
320 HA HIS 42 HA HIS 42 2.782 -7.940 4.340
321 HD1 HIS 42 HD1 HIS 42 1.516 -9.500 2.756
322 HD2 HIS 42 HD2 HIS 42 -0.649 -6.023 2.078
323 HE1 HIS 42 HE1 HIS 42 -0.858 -10.247 2.398
324 HE2 HIS 42 HE2 HIS 42 -2.128 -8.135 1.877
325 HB2 HIS 42 2HB HIS 42 1.990 -5.734 2.456
326 HB3 HIS 42 1HB HIS 42 2.887 -7.158 1.948
327 H VAL 43 HN VAL 43 4.400 -7.481 5.769
328 HA VAL 43 HA VAL 43 6.228 -5.405 5.610
329 HB VAL 43 HB VAL 43 6.098 -6.879 7.523
330 HG11 VAL 43 1HG1 VAL 43 5.804 -8.958 6.080
331 HG12 VAL 43 2HG1 VAL 43 6.781 -9.118 7.538
332 HG13 VAL 43 3HG1 VAL 43 7.564 -8.983 5.965
333 HG21 VAL 43 3HG2 VAL 43 8.123 -5.599 7.254
334 HG22 VAL 43 1HG2 VAL 43 8.815 -6.847 6.218
335 HG23 VAL 43 2HG2 VAL 43 8.515 -7.182 7.921
336 H ALA 44 HN ALA 44 6.263 -5.324 3.223
337 HA ALA 44 HA ALA 44 8.275 -7.054 2.037
338 HB1 ALA 44 3HB ALA 44 6.112 -6.352 0.854
339 HB2 ALA 44 1HB ALA 44 7.615 -6.232 -0.056
340 HB3 ALA 44 2HB ALA 44 6.892 -4.784 0.642
341 H GLU 45 HN GLU 45 9.367 -5.762 4.023
342 HA GLU 45 HA GLU 45 10.326 -3.210 3.844
343 HB2 GLU 45 2HB GLU 45 10.785 -4.658 5.749
344 HB3 GLU 45 1HB GLU 45 11.825 -5.672 4.758
345 HG2 GLU 45 2HG GLU 45 13.411 -3.880 4.508
346 HG3 GLU 45 1HG GLU 45 12.342 -2.771 5.366
347 H ASP 46 HN ASP 46 11.196 -5.962 1.945
348 HA ASP 46 HA ASP 46 13.613 -4.941 0.846
349 HB2 ASP 46 2HB ASP 46 11.675 -6.968 -0.287
350 HB3 ASP 46 1HB ASP 46 13.306 -6.675 -0.879
351 H VAL 47 HN VAL 47 10.251 -4.955 -0.307
352 HA VAL 47 HA VAL 47 10.666 -3.725 -2.762
353 HB VAL 47 HB VAL 47 8.282 -3.354 -0.944
354 HG11 VAL 47 1HG1 VAL 47 8.468 -3.114 -3.944
355 HG12 VAL 47 2HG1 VAL 47 8.454 -1.746 -2.830
356 HG13 VAL 47 3HG1 VAL 47 7.050 -2.810 -2.941
357 HG21 VAL 47 3HG2 VAL 47 8.669 -5.385 -3.139
358 HG22 VAL 47 1HG2 VAL 47 7.300 -5.249 -2.037
359 HG23 VAL 47 2HG2 VAL 47 8.882 -5.731 -1.424
360 H ALA 48 HN ALA 48 10.261 -2.325 0.394
361 HA ALA 48 HA ALA 48 10.254 0.425 -0.304
362 HB1 ALA 48 3HB ALA 48 10.773 0.657 2.199
363 HB2 ALA 48 1HB ALA 48 10.522 -1.088 2.263
364 HB3 ALA 48 2HB ALA 48 9.221 -0.026 1.721
365 H LYS 49 HN LYS 49 12.648 -1.577 1.437
366 HA LYS 49 HA LYS 49 14.727 0.284 1.373
367 HB2 LYS 49 2HB LYS 49 14.782 -1.734 2.776
368 HB3 LYS 49 1HB LYS 49 14.907 -2.739 1.339
369 HG2 LYS 49 2HG LYS 49 17.070 -2.504 2.378
370 HG3 LYS 49 1HG LYS 49 17.064 -1.689 0.812
371 HD2 LYS 49 2HD LYS 49 18.189 -0.317 2.471
372 HD3 LYS 49 1HD LYS 49 16.692 0.456 1.950
373 HE2 LYS 49 2HE LYS 49 16.943 0.636 4.356
374 HE3 LYS 49 1HE LYS 49 15.563 -0.386 3.954
375 HZ1 LYS 49 3HZ LYS 49 16.885 -1.335 5.740
376 HZ2 LYS 49 1HZ LYS 49 18.255 -1.357 4.748
377 HZ3 LYS 49 2HZ LYS 49 16.925 -2.334 4.376
378 H ASP 50 HN ASP 50 13.493 -1.892 -1.017
379 HA ASP 50 HA ASP 50 15.706 -1.395 -2.840
380 HB2 ASP 50 2HB ASP 50 14.533 -3.675 -2.502
381 HB3 ASP 50 1HB ASP 50 13.230 -2.986 -3.469
382 H TYR 51 HN TYR 51 12.511 -0.273 -2.152
383 HA TYR 51 HA TYR 51 11.925 0.713 -4.721
384 HD1 TYR 51 HD1 TYR 51 10.828 -0.823 -4.919
385 HD2 TYR 51 HD2 TYR 51 7.957 1.641 -2.966
386 HE1 TYR 51 HE1 TYR 51 9.024 -2.000 -6.094
387 HE2 TYR 51 HE2 TYR 51 6.147 0.467 -4.139
388 HH TYR 51 HH TYR 51 5.823 -0.859 -6.169
389 HB2 TYR 51 2HB TYR 51 10.656 0.892 -2.123
390 HB3 TYR 51 1HB TYR 51 10.391 2.290 -3.131
391 H GLU 52 HN GLU 52 12.455 2.459 -1.711
392 HA GLU 52 HA GLU 52 13.243 4.837 -3.119
393 HB2 GLU 52 2HB GLU 52 13.282 5.902 -0.948
394 HB3 GLU 52 1HB GLU 52 11.814 4.947 -1.109
395 HG2 GLU 52 2HG GLU 52 12.896 3.142 0.187
396 HG3 GLU 52 1HG GLU 52 14.294 4.190 0.417
397 H ASP 53 HN ASP 53 14.738 2.601 -0.821
398 HA ASP 53 HA ASP 53 17.288 3.891 -0.950
399 HB2 ASP 53 2HB ASP 53 16.089 1.606 0.469
400 HB3 ASP 53 1HB ASP 53 17.817 1.461 0.148
401 H GLY 54 HN GLY 54 15.820 1.064 -2.474
402 HA2 GLY 54 2HA GLY 54 18.050 -0.176 -3.531
403 HA3 GLY 54 1HA GLY 54 16.482 -0.139 -4.322
404 H LEU 55 HN LEU 55 16.264 2.580 -4.853
405 HA LEU 55 HA LEU 55 18.072 2.803 -7.099
406 HG LEU 55 HG LEU 55 16.148 2.912 -8.749
407 HB2 LEU 55 2HB LEU 55 15.702 4.403 -6.159
408 HB3 LEU 55 1HB LEU 55 16.706 4.933 -7.497
409 HD11 LEU 55 1HD1 LEU 55 14.472 2.221 -6.343
410 HD12 LEU 55 2HD1 LEU 55 15.883 1.346 -6.935
411 HD13 LEU 55 3HD1 LEU 55 14.404 1.389 -7.896
412 HD21 LEU 55 3HD2 LEU 55 13.769 3.379 -9.127
413 HD22 LEU 55 1HD2 LEU 55 14.724 4.858 -9.021
414 HD23 LEU 55 2HD2 LEU 55 13.733 4.348 -7.654
415 H GLU 56 HN GLU 56 17.131 4.940 -4.406
416 HA GLU 56 HA GLU 56 19.563 6.489 -4.772
417 HB2 GLU 56 2HB GLU 56 17.227 6.853 -2.913
418 HB3 GLU 56 1HB GLU 56 18.598 7.946 -3.003
419 HG2 GLU 56 2HG GLU 56 16.612 7.355 -5.185
420 HG3 GLU 56 1HG GLU 56 16.754 8.846 -4.254
421 H TYR 57 HN TYR 57 20.632 4.305 -4.145
422 HA TYR 57 HA TYR 57 20.748 3.864 -1.274
423 HD1 TYR 57 HD1 TYR 57 20.866 1.515 -0.190
424 HD2 TYR 57 HD2 TYR 57 24.230 1.668 -2.789
425 HE1 TYR 57 HE1 TYR 57 22.189 0.256 1.458
426 HE2 TYR 57 HE2 TYR 57 25.562 0.410 -1.150
427 HH TYR 57 HH TYR 57 24.171 -1.170 1.525
428 HB2 TYR 57 2HB TYR 57 20.712 1.918 -2.771
429 HB3 TYR 57 1HB TYR 57 22.191 2.476 -3.544
430 HA ALA 1 HA ALA 1 -10.220 -7.105 9.078
431 H1 ALA 1 1H ALA 1 -11.856 -9.481 8.411
432 H2 ALA 1 2H ALA 1 -12.149 -8.387 9.667
433 H3 ALA 1 3H ALA 1 -10.771 -9.367 9.703
434 HB1 ALA 1 3HB ALA 1 -9.907 -9.108 6.845
435 HB2 ALA 1 1HB ALA 1 -8.852 -8.940 8.249
436 HB3 ALA 1 2HB ALA 1 -8.949 -7.643 7.059
437 HA PRO 2 HA PRO 2 -13.205 -5.015 6.545
438 HB2 PRO 2 1HB PRO 2 -12.573 -3.176 7.801
439 HB3 PRO 2 2HB PRO 2 -11.940 -2.673 6.230
440 HG2 PRO 2 2HG PRO 2 -9.768 -3.297 6.764
441 HG3 PRO 2 1HG PRO 2 -10.349 -2.797 8.363
442 HD2 PRO 2 2HD PRO 2 -9.327 -5.281 7.818
443 HD3 PRO 2 1HD PRO 2 -10.488 -4.954 9.119
444 HA PRO 3 HA PRO 3 -11.434 -6.205 2.524
445 HB2 PRO 3 1HB PRO 3 -13.252 -6.998 1.395
446 HB3 PRO 3 2HB PRO 3 -14.172 -5.510 1.641
447 HG2 PRO 3 2HG PRO 3 -15.288 -6.909 3.120
448 HG3 PRO 3 1HG PRO 3 -13.828 -7.855 3.468
449 HD2 PRO 3 2HD PRO 3 -14.651 -5.177 4.525
450 HD3 PRO 3 1HD PRO 3 -13.884 -6.537 5.372
451 H GLY 4 HN GLY 4 -10.089 -4.372 2.302
452 HA2 GLY 4 2HA GLY 4 -11.211 -2.338 0.525
453 HA3 GLY 4 1HA GLY 4 -10.452 -1.774 2.009
454 H THR 5 HN THR 5 -9.934 -3.296 -1.082
455 HA THR 5 HA THR 5 -7.175 -2.426 -1.082
456 HB THR 5 HB THR 5 -6.904 -4.603 -0.056
457 HG1 THR 5 HG1 THR 5 -6.019 -3.829 1.275
458 1HG2 THR 5 1HG2 THR 5 -8.627 -5.805 -0.162
459 2HG2 THR 5 2HG2 THR 5 -7.812 -6.743 1.090
460 3HG2 THR 5 3HG2 THR 5 -7.514 -7.097 -0.612
461 H ALA 6 HN ALA 6 -6.223 -2.336 -3.145
462 HA ALA 6 HA ALA 6 -7.838 -3.189 -5.424
463 HB1 ALA 6 3HB ALA 6 -8.553 -0.893 -4.857
464 HB2 ALA 6 1HB ALA 6 -7.849 -1.034 -6.468
465 HB3 ALA 6 2HB ALA 6 -6.903 -0.351 -5.147
466 H ARG 7 HN ARG 7 -5.084 -0.920 -5.166
467 HA ARG 7 HA ARG 7 -3.761 -2.005 -7.378
468 HE ARG 7 HE ARG 7 -2.570 1.297 -8.099
469 HB2 ARG 7 2HB ARG 7 -3.318 0.259 -6.607
470 HB3 ARG 7 1HB ARG 7 -2.618 -0.359 -5.116
471 HG2 ARG 7 2HG ARG 7 -0.724 -1.176 -6.202
472 HG3 ARG 7 1HG ARG 7 -1.495 -1.116 -7.788
473 HD2 ARG 7 2HD ARG 7 -0.773 1.286 -6.112
474 HD3 ARG 7 1HD ARG 7 0.176 0.671 -7.464
475 HH11 ARG 7 1HH1 ARG 7 0.703 2.481 -7.923
476 HH12 ARG 7 2HH1 ARG 7 0.440 3.751 -9.071
477 HH21 ARG 7 2HH2 ARG 7 -1.620 4.029 -10.028
478 HH22 ARG 7 1HH2 ARG 7 -2.923 2.968 -9.609
479 H ARG 8 HN ARG 8 -1.590 -1.938 -4.630
480 HA ARG 8 HA ARG 8 -0.188 -3.555 -3.860
481 HE ARG 8 HE ARG 8 -2.304 -6.890 -1.928
482 HB2 ARG 8 2HB ARG 8 -2.925 -4.682 -3.760
483 HB3 ARG 8 1HB ARG 8 -1.610 -5.838 -3.574
484 HG2 ARG 8 2HG ARG 8 -0.803 -4.757 -1.641
485 HG3 ARG 8 1HG ARG 8 -1.800 -3.330 -1.932
486 HD2 ARG 8 2HD ARG 8 -2.682 -4.776 -0.131
487 HD3 ARG 8 1HD ARG 8 -3.807 -4.580 -1.473
488 HH11 ARG 8 1HH1 ARG 8 -4.676 -5.683 0.316
489 HH12 ARG 8 2HH1 ARG 8 -5.349 -7.244 0.646
490 HH21 ARG 8 2HH2 ARG 8 -4.503 -9.103 -0.389
491 HH22 ARG 8 1HH2 ARG 8 -3.187 -8.951 -1.504
492 H LYS 9 HN LYS 9 0.477 -6.002 -4.279
493 HA LYS 9 HA LYS 9 0.152 -6.792 -7.055
494 HB2 LYS 9 2HB LYS 9 2.944 -6.330 -6.028
495 HB3 LYS 9 1HB LYS 9 2.434 -6.660 -7.675
496 HG2 LYS 9 2HG LYS 9 1.334 -4.467 -7.762
497 HG3 LYS 9 1HG LYS 9 1.908 -4.134 -6.126
498 HD2 LYS 9 2HD LYS 9 4.231 -4.408 -6.924
499 HD3 LYS 9 1HD LYS 9 3.616 -4.642 -8.561
500 HE2 LYS 9 2HE LYS 9 4.348 -2.358 -8.290
501 HE3 LYS 9 1HE LYS 9 2.594 -2.402 -8.467
502 HZ1 LYS 9 3HZ LYS 9 2.406 -2.214 -6.048
503 HZ2 LYS 9 1HZ LYS 9 3.224 -0.892 -6.715
504 HZ3 LYS 9 2HZ LYS 9 4.088 -2.106 -5.918
505 H ARG 10 HN ARG 10 2.410 -8.526 -7.127
506 HA ARG 10 HA ARG 10 1.468 -10.888 -6.173
507 HE ARG 10 HE ARG 10 5.642 -12.291 -5.673
508 HB2 ARG 10 2HB ARG 10 3.719 -11.773 -6.353
509 HB3 ARG 10 1HB ARG 10 3.421 -10.645 -7.670
510 HG2 ARG 10 2HG ARG 10 4.709 -8.940 -6.580
511 HG3 ARG 10 1HG ARG 10 4.892 -9.940 -5.137
512 HD2 ARG 10 2HD ARG 10 5.970 -10.573 -7.885
513 HD3 ARG 10 1HD ARG 10 6.912 -9.977 -6.519
514 HH11 ARG 10 1HH1 ARG 10 7.991 -11.362 -8.069
515 HH12 ARG 10 2HH1 ARG 10 8.803 -12.892 -8.056
516 HH21 ARG 10 2HH2 ARG 10 8.072 -14.568 -6.678
517 HH22 ARG 10 1HH2 ARG 10 6.705 -14.311 -5.646
518 H LYS 11 HN LYS 11 3.090 -8.408 -4.366
519 HA LYS 11 HA LYS 11 3.162 -8.046 -2.115
520 1HB LYS 11 1HB LYS 11 2.178 -9.536 -0.523
521 2HB LYS 11 2HB LYS 11 2.165 -10.860 -1.676
522 1HG LYS 11 2HG LYS 11 0.233 -6.945 1.027
523 2HG LYS 11 1HG LYS 11 1.147 -6.132 2.301
524 1HD LYS 11 2HD LYS 11 2.359 -7.140 -0.262
525 2HD LYS 11 1HD LYS 11 1.796 -5.484 -0.025
526 1HE LYS 11 1HE LYS 11 3.911 -6.865 1.624
527 2HE LYS 11 2HE LYS 11 3.373 -5.197 1.809
528 1HZ LYS 11 1HZ LYS 11 -2.400 -11.404 -0.103
529 2HZ LYS 11 2HZ LYS 11 -1.140 -11.574 1.012
530 3HZ LYS 11 3HZ LYS 11 -1.568 -12.873 0.020
531 H ALA 12 HN ALA 12 5.286 -7.842 -1.955
532 HA ALA 12 HA ALA 12 6.993 -10.205 -1.838
533 HB1 ALA 12 3HB ALA 12 7.405 -7.805 -3.007
534 HB2 ALA 12 1HB ALA 12 8.699 -8.888 -2.493
535 HB3 ALA 12 2HB ALA 12 8.204 -7.552 -1.454
536 H ASP 13 HN ASP 13 5.408 -10.284 0.298
537 HA ASP 13 HA ASP 13 6.959 -9.123 2.512
538 HB2 ASP 13 2HB ASP 13 4.949 -9.471 3.893
539 HB3 ASP 13 1HB ASP 13 4.601 -8.459 2.495
540 H SER 14 HN SER 14 7.721 -11.491 1.037
541 HA SER 14 HA SER 14 8.474 -13.141 3.142
542 HG SER 14 HG SER 14 7.492 -15.480 3.696
543 HB2 SER 14 2HB SER 14 6.117 -13.805 3.238
544 HB3 SER 14 1HB SER 14 6.160 -14.243 1.530
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 7.970 1.341 -7.142
2 H2 GLY 1 2H GLY 1 7.910 3.031 -7.113
3 H3 GLY 1 3H GLY 1 8.285 2.174 -5.704
4 HA2 GLY 1 1HA GLY 1 10.358 1.435 -6.598
5 HA3 GLY 1 2HA GLY 1 9.953 2.137 -8.156
6 H SER 2 HN SER 2 9.299 3.701 -5.079
7 HA SER 2 HA SER 2 11.597 5.227 -4.793
8 HG SER 2 HG SER 2 8.702 7.160 -5.971
9 HB2 SER 2 2HB SER 2 10.894 7.398 -5.761
10 HB3 SER 2 1HB SER 2 11.143 6.159 -6.990
11 H GLN 3 HN GLN 3 8.114 5.110 -4.534
12 HA GLN 3 HA GLN 3 8.143 6.864 -2.237
13 HB2 GLN 3 2HB GLN 3 5.935 5.384 -3.621
14 HB3 GLN 3 1HB GLN 3 5.682 6.367 -2.191
15 HG2 GLN 3 2HG GLN 3 6.724 7.334 -4.846
16 HG3 GLN 3 1HG GLN 3 5.090 7.567 -4.225
17 HE21 GLN 3 2HE2 GLN 3 7.341 10.539 -3.619
18 HE22 GLN 3 1HE2 GLN 3 7.077 9.545 -5.008
19 H VAL 4 HN VAL 4 7.650 6.226 -0.152
20 HA VAL 4 HA VAL 4 8.325 3.472 0.455
21 HB VAL 4 HB VAL 4 9.408 5.306 1.707
22 HG11 VAL 4 1HG1 VAL 4 8.164 6.615 3.324
23 HG12 VAL 4 2HG1 VAL 4 6.663 5.825 2.846
24 HG13 VAL 4 3HG1 VAL 4 7.513 6.869 1.706
25 HG21 VAL 4 3HG2 VAL 4 8.107 4.256 3.993
26 HG22 VAL 4 1HG2 VAL 4 9.657 3.785 3.300
27 HG23 VAL 4 2HG2 VAL 4 8.177 2.980 2.777
28 H PHE 5 HN PHE 5 5.911 3.606 -0.812
29 HA PHE 5 HA PHE 5 4.198 2.281 0.972
30 HD1 PHE 5 HD1 PHE 5 4.879 6.294 1.921
31 HD2 PHE 5 HD2 PHE 5 2.469 5.226 -1.421
32 HE1 PHE 5 HE1 PHE 5 5.307 8.498 0.913
33 HE2 PHE 5 HE2 PHE 5 2.893 7.428 -2.435
34 HZ PHE 5 HZ PHE 5 4.313 9.067 -1.267
35 HB2 PHE 5 2HB PHE 5 2.337 4.060 0.835
36 HB3 PHE 5 1HB PHE 5 3.637 4.329 1.985
37 H GLU 6 HN GLU 6 1.882 2.174 -0.084
38 HA GLU 6 HA GLU 6 1.809 2.386 -2.952
39 HB2 GLU 6 2HB GLU 6 2.948 0.270 -2.798
40 HB3 GLU 6 1HB GLU 6 1.843 -0.303 -1.554
41 HG2 GLU 6 2HG GLU 6 1.319 -1.354 -3.647
42 HG3 GLU 6 1HG GLU 6 0.013 -0.257 -3.202
43 H TYR 7 HN TYR 7 -0.262 2.996 -3.447
44 HA TYR 7 HA TYR 7 -2.252 2.777 -1.376
45 HD1 TYR 7 HD1 TYR 7 -0.305 4.788 -4.385
46 HD2 TYR 7 HD2 TYR 7 -4.384 3.720 -4.958
47 HE1 TYR 7 HE1 TYR 7 -0.010 4.987 -6.818
48 HE2 TYR 7 HE2 TYR 7 -4.100 3.916 -7.392
49 HH TYR 7 HH TYR 7 -2.625 5.041 -8.989
50 HB2 TYR 7 2HB TYR 7 -3.585 4.268 -2.777
51 HB3 TYR 7 1HB TYR 7 -1.963 4.902 -2.536
52 H ALA 8 HN ALA 8 -3.194 0.860 -1.203
53 HA ALA 8 HA ALA 8 -4.007 -0.619 -3.585
54 HB1 ALA 8 3HB ALA 8 -4.496 -2.416 -2.115
55 HB2 ALA 8 1HB ALA 8 -4.550 -1.343 -0.719
56 HB3 ALA 8 2HB ALA 8 -3.011 -1.686 -1.499
57 H GLU 9 HN GLU 9 -5.303 1.559 -3.863
58 HA GLU 9 HA GLU 9 -7.955 1.276 -2.657
59 HB2 GLU 9 2HB GLU 9 -7.472 3.260 -1.799
60 HB3 GLU 9 1HB GLU 9 -6.106 3.495 -2.870
61 HG2 GLU 9 2HG GLU 9 -8.957 3.993 -3.612
62 HG3 GLU 9 1HG GLU 9 -7.861 5.222 -3.010
63 H VAL 10 HN VAL 10 -9.715 1.616 -3.734
64 HA VAL 10 HA VAL 10 -9.567 1.058 -6.542
65 HB VAL 10 HB VAL 10 -11.935 1.277 -4.748
66 HG11 VAL 10 1HG1 VAL 10 -11.966 -0.353 -7.221
67 HG12 VAL 10 2HG1 VAL 10 -12.004 1.398 -7.419
68 HG13 VAL 10 3HG1 VAL 10 -13.257 0.592 -6.481
69 HG21 VAL 10 3HG2 VAL 10 -11.842 -1.059 -4.443
70 HG22 VAL 10 1HG2 VAL 10 -10.211 -0.464 -4.160
71 HG23 VAL 10 2HG2 VAL 10 -10.612 -1.246 -5.690
72 H ASP 11 HN ASP 11 -10.587 3.571 -4.389
73 HA ASP 11 HA ASP 11 -10.601 5.455 -6.619
74 HB2 ASP 11 2HB ASP 11 -12.950 4.696 -6.177
75 HB3 ASP 11 1HB ASP 11 -12.819 5.396 -4.571
76 H GLU 12 HN GLU 12 -10.531 4.915 -3.123
77 HA GLU 12 HA GLU 12 -8.842 7.233 -2.788
78 HB2 GLU 12 2HB GLU 12 -11.637 7.166 -1.667
79 HB3 GLU 12 1HB GLU 12 -10.375 8.166 -0.959
80 HG2 GLU 12 2HG GLU 12 -11.318 8.330 -3.812
81 HG3 GLU 12 1HG GLU 12 -11.820 9.406 -2.509
82 H ILE 13 HN ILE 13 -8.075 7.505 -0.563
83 HA ILE 13 HA ILE 13 -8.232 5.032 1.025
84 HB ILE 13 HB ILE 13 -5.841 5.003 1.411
85 HG12 ILE 13 2HG1 ILE 13 -5.572 7.517 1.377
86 HG13 ILE 13 1HG1 ILE 13 -4.319 6.648 0.492
87 HG21 ILE 13 1HG2 ILE 13 -5.115 5.115 -1.169
88 HG22 ILE 13 2HG2 ILE 13 -6.865 5.076 -1.347
89 HG23 ILE 13 3HG2 ILE 13 -6.039 3.784 -0.478
90 HD11 ILE 13 3HD1 ILE 13 -6.291 7.137 -1.398
91 HD12 ILE 13 1HD1 ILE 13 -4.753 7.988 -1.219
92 HD13 ILE 13 2HD1 ILE 13 -6.204 8.619 -0.441
93 H VAL 14 HN VAL 14 -6.490 5.835 3.048
94 HA VAL 14 HA VAL 14 -7.306 8.454 3.998
95 HB VAL 14 HB VAL 14 -8.000 5.937 5.526
96 HG11 VAL 14 1HG1 VAL 14 -8.904 7.461 7.235
97 HG12 VAL 14 2HG1 VAL 14 -8.255 8.833 6.336
98 HG13 VAL 14 3HG1 VAL 14 -7.161 7.642 7.037
99 HG21 VAL 14 3HG2 VAL 14 -9.763 8.106 4.389
100 HG22 VAL 14 1HG2 VAL 14 -10.307 6.730 5.347
101 HG23 VAL 14 2HG2 VAL 14 -9.595 6.469 3.755
102 H GLU 15 HN GLU 15 -5.947 5.411 5.212
103 HA GLU 15 HA GLU 15 -3.735 6.901 6.427
104 HB2 GLU 15 2HB GLU 15 -4.897 5.109 7.724
105 HB3 GLU 15 1HB GLU 15 -4.339 3.935 6.539
106 HG2 GLU 15 2HG GLU 15 -2.948 3.906 8.525
107 HG3 GLU 15 1HG GLU 15 -2.028 4.430 7.116
108 H LYS 16 HN LYS 16 -1.665 6.863 5.581
109 HA LYS 16 HA LYS 16 -1.032 4.875 3.547
110 HB2 LYS 16 2HB LYS 16 -0.335 6.675 1.933
111 HB3 LYS 16 1HB LYS 16 -2.068 6.531 2.189
112 HG2 LYS 16 2HG LYS 16 -2.064 8.457 3.634
113 HG3 LYS 16 1HG LYS 16 -0.308 8.575 3.529
114 HD2 LYS 16 2HD LYS 16 -1.307 10.200 2.054
115 HD3 LYS 16 1HD LYS 16 -0.519 8.949 1.091
116 HE2 LYS 16 2HE LYS 16 -2.680 7.862 0.734
117 HE3 LYS 16 1HE LYS 16 -3.469 9.103 1.705
118 HZ1 LYS 16 3HZ LYS 16 -2.031 9.548 -0.857
119 HZ2 LYS 16 1HZ LYS 16 -2.749 10.759 0.083
120 HZ3 LYS 16 2HZ LYS 16 -3.708 9.569 -0.641
121 H ARG 17 HN ARG 17 0.585 4.307 5.265
122 HA ARG 17 HA ARG 17 3.054 5.751 4.821
123 HE ARG 17 HE ARG 17 5.940 6.703 8.914
124 HB2 ARG 17 2HB ARG 17 2.083 7.026 6.671
125 HB3 ARG 17 1HB ARG 17 1.905 5.550 7.609
126 HG2 ARG 17 2HG ARG 17 4.311 5.275 7.692
127 HG3 ARG 17 1HG ARG 17 4.526 6.703 6.677
128 HD2 ARG 17 2HD ARG 17 3.482 8.084 8.409
129 HD3 ARG 17 1HD ARG 17 3.272 6.657 9.422
130 HH11 ARG 17 1HH1 ARG 17 3.678 9.028 10.181
131 HH12 ARG 17 2HH1 ARG 17 4.850 9.817 11.181
132 HH21 ARG 17 2HH2 ARG 17 7.019 9.083 11.208
133 HH22 ARG 17 1HH2 ARG 17 7.492 7.735 10.229
134 H GLY 18 HN GLY 18 3.993 3.847 4.002
135 HA2 GLY 18 2HA GLY 18 4.643 1.911 6.078
136 HA3 GLY 18 1HA GLY 18 3.708 1.295 4.737
137 H LYS 19 HN LYS 19 4.963 0.077 3.595
138 HA LYS 19 HA LYS 19 7.650 1.002 2.881
139 HB2 LYS 19 2HB LYS 19 6.465 -1.719 3.309
140 HB3 LYS 19 1HB LYS 19 8.066 -1.480 2.613
141 HG2 LYS 19 2HG LYS 19 8.774 -0.327 4.648
142 HG3 LYS 19 1HG LYS 19 7.172 -0.599 5.345
143 HD2 LYS 19 2HD LYS 19 7.492 -2.999 5.133
144 HD3 LYS 19 1HD LYS 19 9.093 -2.728 4.448
145 HE2 LYS 19 2HE LYS 19 8.167 -1.979 7.220
146 HE3 LYS 19 1HE LYS 19 9.289 -3.274 6.805
147 HZ1 LYS 19 3HZ LYS 19 9.750 -0.371 6.394
148 HZ2 LYS 19 1HZ LYS 19 10.820 -1.601 5.941
149 HZ3 LYS 19 2HZ LYS 19 10.478 -1.338 7.576
150 H GLY 20 HN GLY 20 6.956 -1.705 1.100
151 HA2 GLY 20 2HA GLY 20 6.185 -0.125 -1.214
152 HA3 GLY 20 1HA GLY 20 6.820 -1.772 -1.224
153 H LYS 21 HN LYS 21 5.379 -2.863 0.717
154 HA LYS 21 HA LYS 21 2.561 -2.654 -0.066
155 HB2 LYS 21 2HB LYS 21 3.997 -5.268 0.380
156 HB3 LYS 21 1HB LYS 21 2.375 -5.031 -0.254
157 HG2 LYS 21 2HG LYS 21 4.849 -4.065 -1.656
158 HG3 LYS 21 1HG LYS 21 4.127 -5.651 -1.937
159 HD2 LYS 21 2HD LYS 21 2.107 -4.668 -2.745
160 HD3 LYS 21 1HD LYS 21 2.625 -3.057 -2.243
161 HE2 LYS 21 2HE LYS 21 2.830 -3.707 -4.732
162 HE3 LYS 21 1HE LYS 21 4.184 -2.886 -3.956
163 HZ1 LYS 21 3HZ LYS 21 4.028 -5.836 -4.166
164 HZ2 LYS 21 1HZ LYS 21 5.379 -4.887 -3.799
165 HZ3 LYS 21 2HZ LYS 21 4.742 -4.881 -5.365
166 H ASP 22 HN ASP 22 4.706 -2.385 2.431
167 HA ASP 22 HA ASP 22 3.198 -3.755 4.440
168 HB2 ASP 22 2HB ASP 22 5.753 -3.551 4.405
169 HB3 ASP 22 1HB ASP 22 5.495 -1.895 4.926
170 H VAL 23 HN VAL 23 2.548 -1.156 2.862
171 HA VAL 23 HA VAL 23 1.936 0.647 5.037
172 HB VAL 23 HB VAL 23 2.946 1.494 2.980
173 HG11 VAL 23 1HG1 VAL 23 0.711 1.322 1.218
174 HG12 VAL 23 2HG1 VAL 23 1.100 -0.294 1.794
175 HG13 VAL 23 3HG1 VAL 23 2.338 0.680 1.009
176 HG21 VAL 23 3HG2 VAL 23 1.233 2.777 4.377
177 HG22 VAL 23 1HG2 VAL 23 0.101 2.460 3.067
178 HG23 VAL 23 2HG2 VAL 23 1.572 3.387 2.761
179 H GLU 24 HN GLU 24 -0.147 1.293 5.533
180 HA GLU 24 HA GLU 24 -2.234 -0.540 4.584
181 HB2 GLU 24 2HB GLU 24 -3.508 0.316 6.610
182 HB3 GLU 24 1HB GLU 24 -2.137 -0.736 6.916
183 HG2 GLU 24 2HG GLU 24 -1.838 2.240 6.982
184 HG3 GLU 24 1HG GLU 24 -2.454 1.356 8.377
185 H TYR 25 HN TYR 25 -3.426 0.277 3.034
186 HA TYR 25 HA TYR 25 -4.092 3.127 3.098
187 HD1 TYR 25 HD1 TYR 25 -3.860 4.776 0.254
188 HD2 TYR 25 HD2 TYR 25 -1.187 1.744 1.536
189 HE1 TYR 25 HE1 TYR 25 -1.963 6.288 -0.096
190 HE2 TYR 25 HE2 TYR 25 0.719 3.248 1.183
191 HH TYR 25 HH TYR 25 1.355 5.216 0.186
192 HB2 TYR 25 2HB TYR 25 -3.549 1.246 0.854
193 HB3 TYR 25 1HB TYR 25 -4.660 2.583 0.592
194 H LEU 26 HN LEU 26 -6.225 3.722 2.676
195 HA LEU 26 HA LEU 26 -8.201 1.694 3.283
196 HG LEU 26 HG LEU 26 -10.568 2.906 3.097
197 HB2 LEU 26 2HB LEU 26 -8.503 3.673 4.556
198 HB3 LEU 26 1HB LEU 26 -8.214 4.699 3.169
199 HD11 LEU 26 1HD1 LEU 26 -11.661 3.807 4.790
200 HD12 LEU 26 2HD1 LEU 26 -11.332 5.430 4.184
201 HD13 LEU 26 3HD1 LEU 26 -10.175 4.637 5.253
202 HD21 LEU 26 3HD2 LEU 26 -11.514 5.018 2.015
203 HD22 LEU 26 1HD2 LEU 26 -10.309 4.098 1.119
204 HD23 LEU 26 2HD2 LEU 26 -9.845 5.569 1.969
205 H VAL 27 HN VAL 27 -10.156 1.561 1.883
206 HA VAL 27 HA VAL 27 -9.692 2.691 -0.746
207 HB VAL 27 HB VAL 27 -9.381 0.892 -1.874
208 HG11 VAL 27 1HG1 VAL 27 -7.765 0.540 -0.135
209 HG12 VAL 27 2HG1 VAL 27 -8.341 -1.013 -0.740
210 HG13 VAL 27 3HG1 VAL 27 -8.934 -0.391 0.800
211 HG21 VAL 27 3HG2 VAL 27 -10.537 -1.324 -1.521
212 HG22 VAL 27 1HG2 VAL 27 -11.597 0.039 -1.878
213 HG23 VAL 27 2HG2 VAL 27 -11.440 -0.545 -0.223
214 H ARG 28 HN ARG 28 -11.323 3.890 -1.187
215 HA ARG 28 HA ARG 28 -14.011 3.120 -0.372
216 HE ARG 28 HE ARG 28 -11.659 7.595 1.352
217 HB2 ARG 28 2HB ARG 28 -13.321 5.507 -2.056
218 HB3 ARG 28 1HB ARG 28 -14.696 5.294 -0.986
219 HG2 ARG 28 2HG ARG 28 -13.097 5.333 0.938
220 HG3 ARG 28 1HG ARG 28 -11.834 5.791 -0.206
221 HD2 ARG 28 2HD ARG 28 -13.316 7.724 -0.877
222 HD3 ARG 28 1HD ARG 28 -14.329 7.316 0.506
223 HH11 ARG 28 1HH1 ARG 28 -14.349 9.495 0.218
224 HH12 ARG 28 2HH1 ARG 28 -13.855 10.930 1.054
225 HH21 ARG 28 2HH2 ARG 28 -11.953 10.920 2.329
226 HH22 ARG 28 1HH2 ARG 28 -11.002 9.479 2.459
227 H TRP 29 HN TRP 29 -13.958 1.251 -1.598
228 HA TRP 29 HA TRP 29 -13.487 0.539 -4.068
229 HD1 TRP 29 HD1 TRP 29 -13.531 -0.943 -5.386
230 HE1 TRP 29 HE1 TRP 29 -13.519 -3.457 -5.931
231 HE3 TRP 29 HE3 TRP 29 -16.915 -2.546 -1.905
232 HZ2 TRP 29 HZ2 TRP 29 -14.777 -5.808 -5.010
233 HZ3 TRP 29 HZ3 TRP 29 -17.456 -4.944 -1.804
234 HH2 TRP 29 HH2 TRP 29 -16.409 -6.541 -3.325
235 HB2 TRP 29 2HB TRP 29 -15.232 -0.323 -2.155
236 HB3 TRP 29 1HB TRP 29 -16.324 0.056 -3.480
237 H LYS 30 HN LYS 30 -13.300 2.311 -5.419
238 HA LYS 30 HA LYS 30 -14.843 4.255 -6.294
239 HB2 LYS 30 2HB LYS 30 -13.962 4.088 -8.441
240 HB3 LYS 30 1HB LYS 30 -12.815 3.176 -7.476
241 HG2 LYS 30 2HG LYS 30 -14.087 1.096 -8.172
242 HG3 LYS 30 1HG LYS 30 -14.923 2.119 -9.337
243 HD2 LYS 30 2HD LYS 30 -11.933 2.097 -9.235
244 HD3 LYS 30 1HD LYS 30 -12.803 0.810 -10.073
245 HE2 LYS 30 2HE LYS 30 -12.134 2.633 -11.584
246 HE3 LYS 30 1HE LYS 30 -13.883 2.427 -11.511
247 HZ1 LYS 30 3HZ LYS 30 -14.150 4.375 -10.340
248 HZ2 LYS 30 1HZ LYS 30 -12.876 4.781 -11.376
249 HZ3 LYS 30 2HZ LYS 30 -12.560 4.392 -9.761
250 H ASP 31 HN ASP 31 -15.748 0.895 -6.825
251 HA ASP 31 HA ASP 31 -18.399 1.804 -7.745
252 HB2 ASP 31 2HB ASP 31 -17.027 -0.828 -8.357
253 HB3 ASP 31 1HB ASP 31 -18.611 -0.326 -8.939
254 H GLY 32 HN GLY 32 -18.224 1.894 -5.151
255 HA2 GLY 32 2HA GLY 32 -19.712 -0.456 -4.234
256 HA3 GLY 32 1HA GLY 32 -18.256 -0.012 -3.349
257 H GLY 33 HN GLY 33 -19.530 0.284 -1.475
258 HA2 GLY 33 2HA GLY 33 -20.808 2.931 -1.412
259 HA3 GLY 33 1HA GLY 33 -21.673 1.546 -0.760
260 H ASP 34 HN ASP 34 -19.635 0.189 0.519
261 HA ASP 34 HA ASP 34 -19.190 1.944 2.803
262 HB2 ASP 34 2HB ASP 34 -20.152 -0.271 3.215
263 HB3 ASP 34 1HB ASP 34 -18.747 -1.032 2.477
264 H CYS 35 HN CYS 35 -17.081 1.829 3.946
265 HA CYS 35 HA CYS 35 -14.861 1.699 2.012
266 HG CYS 35 HG CYS 35 -15.688 4.072 1.165
267 HB2 CYS 35 2HB CYS 35 -15.140 3.472 4.447
268 HB3 CYS 35 1HB CYS 35 -13.743 3.422 3.377
269 H GLU 36 HN GLU 36 -13.068 0.555 2.518
270 HA GLU 36 HA GLU 36 -12.895 -0.623 5.208
271 HB2 GLU 36 2HB GLU 36 -12.489 -2.057 2.579
272 HB3 GLU 36 1HB GLU 36 -12.117 -2.739 4.157
273 HG2 GLU 36 2HG GLU 36 -14.844 -1.861 3.236
274 HG3 GLU 36 1HG GLU 36 -14.262 -3.524 3.272
275 H TRP 37 HN TRP 37 -10.670 -1.579 5.607
276 HA TRP 37 HA TRP 37 -8.659 0.257 4.507
277 HD1 TRP 37 HD1 TRP 37 -9.280 2.101 5.396
278 HE1 TRP 37 HE1 TRP 37 -10.240 3.767 7.106
279 HE3 TRP 37 HE3 TRP 37 -8.812 -0.722 9.635
280 HZ2 TRP 37 HZ2 TRP 37 -10.733 3.873 9.882
281 HZ3 TRP 37 HZ3 TRP 37 -9.549 0.239 11.777
282 HH2 TRP 37 HH2 TRP 37 -10.489 2.488 11.897
283 HB2 TRP 37 2HB TRP 37 -8.749 -1.263 7.115
284 HB3 TRP 37 1HB TRP 37 -7.363 -0.327 6.572
285 H VAL 38 HN VAL 38 -6.656 -0.489 3.814
286 HA VAL 38 HA VAL 38 -6.642 -3.268 2.939
287 HB VAL 38 HB VAL 38 -4.642 -1.065 2.391
288 HG11 VAL 38 1HG1 VAL 38 -3.905 -2.582 0.556
289 HG12 VAL 38 2HG1 VAL 38 -4.930 -3.836 1.247
290 HG13 VAL 38 3HG1 VAL 38 -3.572 -3.196 2.171
291 HG21 VAL 38 3HG2 VAL 38 -5.786 -0.513 0.508
292 HG22 VAL 38 1HG2 VAL 38 -7.141 -1.039 1.505
293 HG23 VAL 38 2HG2 VAL 38 -6.452 -2.132 0.306
294 H LYS 39 HN LYS 39 -4.700 -4.602 3.216
295 HA LYS 39 HA LYS 39 -3.856 -4.520 5.952
296 HB2 LYS 39 2HB LYS 39 -4.431 -6.652 4.884
297 HB3 LYS 39 1HB LYS 39 -3.109 -6.439 3.743
298 HG2 LYS 39 2HG LYS 39 -1.546 -6.440 5.705
299 HG3 LYS 39 1HG LYS 39 -2.920 -6.905 6.708
300 HD2 LYS 39 2HD LYS 39 -3.247 -8.901 5.314
301 HD3 LYS 39 1HD LYS 39 -1.851 -8.438 4.338
302 HE2 LYS 39 2HE LYS 39 -0.450 -8.557 6.382
303 HE3 LYS 39 1HE LYS 39 -1.854 -9.147 7.269
304 HZ1 LYS 39 3HZ LYS 39 -1.944 -11.035 5.720
305 HZ2 LYS 39 1HZ LYS 39 -0.493 -10.985 6.588
306 HZ3 LYS 39 2HZ LYS 39 -0.530 -10.486 4.973
307 H GLY 40 HN GLY 40 -2.510 -2.857 6.317
308 HA2 GLY 40 2HA GLY 40 -0.155 -2.538 4.642
309 HA3 GLY 40 1HA GLY 40 -0.660 -1.463 5.933
310 H VAL 41 HN VAL 41 -0.105 -4.957 5.959
311 HA VAL 41 HA VAL 41 2.067 -4.510 7.908
312 HB VAL 41 HB VAL 41 0.739 -7.151 7.863
313 HG11 VAL 41 1HG1 VAL 41 1.721 -5.366 10.083
314 HG12 VAL 41 2HG1 VAL 41 2.613 -6.691 9.335
315 HG13 VAL 41 3HG1 VAL 41 1.155 -7.026 10.270
316 HG21 VAL 41 3HG2 VAL 41 -0.594 -4.751 9.128
317 HG22 VAL 41 1HG2 VAL 41 -1.066 -6.433 9.378
318 HG23 VAL 41 2HG2 VAL 41 -1.220 -5.701 7.781
319 H HIS 42 HN HIS 42 1.780 -5.013 4.833
320 HA HIS 42 HA HIS 42 3.234 -7.470 4.543
321 HD1 HIS 42 HD1 HIS 42 0.151 -8.008 2.552
322 HD2 HIS 42 HD2 HIS 42 4.162 -8.680 1.702
323 HE1 HIS 42 HE1 HIS 42 0.260 -10.347 1.633
324 HE2 HIS 42 HE2 HIS 42 2.703 -10.750 1.172
325 HB2 HIS 42 2HB HIS 42 1.527 -5.970 2.892
326 HB3 HIS 42 1HB HIS 42 3.112 -5.956 2.113
327 H VAL 43 HN VAL 43 4.928 -6.941 5.799
328 HA VAL 43 HA VAL 43 6.750 -4.888 5.360
329 HB VAL 43 HB VAL 43 6.830 -6.165 7.385
330 HG11 VAL 43 1HG1 VAL 43 7.752 -8.515 5.739
331 HG12 VAL 43 2HG1 VAL 43 6.137 -8.326 6.423
332 HG13 VAL 43 3HG1 VAL 43 7.535 -8.472 7.488
333 HG21 VAL 43 3HG2 VAL 43 9.398 -6.740 5.926
334 HG22 VAL 43 1HG2 VAL 43 9.174 -6.428 7.646
335 HG23 VAL 43 2HG2 VAL 43 8.936 -5.131 6.475
336 H ALA 44 HN ALA 44 6.633 -4.907 3.004
337 HA ALA 44 HA ALA 44 8.430 -6.807 1.732
338 HB1 ALA 44 3HB ALA 44 7.765 -5.762 -0.363
339 HB2 ALA 44 1HB ALA 44 6.894 -4.506 0.515
340 HB3 ALA 44 2HB ALA 44 6.333 -6.176 0.579
341 H GLU 45 HN GLU 45 9.791 -5.554 3.565
342 HA GLU 45 HA GLU 45 10.864 -3.067 3.249
343 HB2 GLU 45 2HB GLU 45 11.453 -4.507 5.122
344 HB3 GLU 45 1HB GLU 45 12.325 -5.592 4.048
345 HG2 GLU 45 2HG GLU 45 13.926 -3.823 3.550
346 HG3 GLU 45 1HG GLU 45 13.048 -2.725 4.613
347 H ASP 46 HN ASP 46 11.393 -5.880 1.317
348 HA ASP 46 HA ASP 46 13.715 -4.960 -0.058
349 HB2 ASP 46 2HB ASP 46 11.586 -6.885 -1.017
350 HB3 ASP 46 1HB ASP 46 13.199 -6.699 -1.696
351 H VAL 47 HN VAL 47 10.252 -4.924 -0.849
352 HA VAL 47 HA VAL 47 10.443 -3.613 -3.308
353 HB VAL 47 HB VAL 47 8.206 -3.448 -1.280
354 HG11 VAL 47 1HG1 VAL 47 8.198 -2.840 -4.234
355 HG12 VAL 47 2HG1 VAL 47 8.084 -1.652 -2.935
356 HG13 VAL 47 3HG1 VAL 47 6.791 -2.830 -3.171
357 HG21 VAL 47 3HG2 VAL 47 8.505 -5.248 -3.679
358 HG22 VAL 47 1HG2 VAL 47 7.179 -5.247 -2.516
359 HG23 VAL 47 2HG2 VAL 47 8.796 -5.739 -2.012
360 H ALA 48 HN ALA 48 10.033 -2.344 -0.096
361 HA ALA 48 HA ALA 48 9.978 0.406 -0.636
362 HB1 ALA 48 3HB ALA 48 9.047 -0.343 1.398
363 HB2 ALA 48 1HB ALA 48 10.477 0.602 1.813
364 HB3 ALA 48 2HB ALA 48 10.540 -1.161 1.860
365 H LYS 49 HN LYS 49 12.529 -1.599 0.856
366 HA LYS 49 HA LYS 49 14.515 0.354 0.889
367 HB2 LYS 49 2HB LYS 49 14.714 -2.651 0.678
368 HB3 LYS 49 1HB LYS 49 16.120 -1.613 0.862
369 HG2 LYS 49 2HG LYS 49 13.823 -1.731 2.806
370 HG3 LYS 49 1HG LYS 49 15.339 -2.617 2.980
371 HD2 LYS 49 2HD LYS 49 16.563 -0.482 2.982
372 HD3 LYS 49 1HD LYS 49 15.028 0.382 2.863
373 HE2 LYS 49 2HE LYS 49 14.322 -0.562 4.999
374 HE3 LYS 49 1HE LYS 49 15.835 -1.459 5.114
375 HZ1 LYS 49 3HZ LYS 49 15.562 1.500 5.085
376 HZ2 LYS 49 1HZ LYS 49 17.025 0.654 5.161
377 HZ3 LYS 49 2HZ LYS 49 15.920 0.548 6.437
378 H ASP 50 HN ASP 50 13.420 -1.774 -1.651
379 HA ASP 50 HA ASP 50 15.521 -0.845 -3.430
380 HB2 ASP 50 2HB ASP 50 15.035 -2.631 -4.801
381 HB3 ASP 50 1HB ASP 50 14.579 -3.278 -3.232
382 H TYR 51 HN TYR 51 12.277 -0.097 -2.620
383 HA TYR 51 HA TYR 51 11.508 0.984 -5.096
384 HD1 TYR 51 HD1 TYR 51 10.438 -0.439 -5.526
385 HD2 TYR 51 HD2 TYR 51 7.609 1.309 -2.861
386 HE1 TYR 51 HE1 TYR 51 8.635 -1.659 -6.645
387 HE2 TYR 51 HE2 TYR 51 5.800 0.086 -3.983
388 HH TYR 51 HH TYR 51 5.352 -0.960 -6.157
389 HB2 TYR 51 2HB TYR 51 10.373 0.928 -2.431
390 HB3 TYR 51 1HB TYR 51 9.949 2.350 -3.346
391 H GLU 52 HN GLU 52 12.242 2.471 -2.010
392 HA GLU 52 HA GLU 52 12.795 5.016 -3.295
393 HB2 GLU 52 2HB GLU 52 12.694 6.004 -1.121
394 HB3 GLU 52 1HB GLU 52 11.335 4.899 -1.274
395 HG2 GLU 52 2HG GLU 52 12.644 3.204 -0.025
396 HG3 GLU 52 1HG GLU 52 13.902 4.414 0.216
397 H ASP 53 HN ASP 53 14.371 2.766 -1.057
398 HA ASP 53 HA ASP 53 16.863 4.170 -1.124
399 HB2 ASP 53 2HB ASP 53 15.767 1.777 0.206
400 HB3 ASP 53 1HB ASP 53 17.503 1.735 -0.104
401 H GLY 54 HN GLY 54 15.376 1.778 -3.097
402 HA2 GLY 54 2HA GLY 54 17.719 0.530 -4.105
403 HA3 GLY 54 1HA GLY 54 16.144 0.546 -4.885
404 H LEU 55 HN LEU 55 15.796 3.287 -5.228
405 HA LEU 55 HA LEU 55 17.525 3.735 -7.494
406 HG LEU 55 HG LEU 55 14.457 3.304 -7.422
407 HB2 LEU 55 2HB LEU 55 15.247 5.340 -6.334
408 HB3 LEU 55 1HB LEU 55 16.124 5.796 -7.784
409 HD11 LEU 55 1HD1 LEU 55 13.142 5.349 -7.643
410 HD12 LEU 55 2HD1 LEU 55 12.988 4.327 -9.072
411 HD13 LEU 55 3HD1 LEU 55 14.019 5.758 -9.118
412 HD21 LEU 55 3HD2 LEU 55 14.880 2.931 -9.811
413 HD22 LEU 55 1HD2 LEU 55 16.363 2.859 -8.860
414 HD23 LEU 55 2HD2 LEU 55 15.999 4.294 -9.818
415 H GLU 56 HN GLU 56 16.595 5.812 -4.742
416 HA GLU 56 HA GLU 56 19.010 7.369 -5.049
417 HB2 GLU 56 2HB GLU 56 16.756 7.545 -3.062
418 HB3 GLU 56 1HB GLU 56 18.101 8.672 -3.129
419 HG2 GLU 56 2HG GLU 56 16.143 8.185 -5.361
420 HG3 GLU 56 1HG GLU 56 16.067 9.524 -4.218
421 H TYR 57 HN TYR 57 20.116 5.144 -4.625
422 HA TYR 57 HA TYR 57 20.355 4.461 -1.823
423 HD1 TYR 57 HD1 TYR 57 20.484 1.344 -1.551
424 HD2 TYR 57 HD2 TYR 57 23.979 3.264 -3.036
425 HE1 TYR 57 HE1 TYR 57 21.869 -0.029 -0.053
426 HE2 TYR 57 HE2 TYR 57 25.372 1.895 -1.544
427 HH TYR 57 HH TYR 57 24.162 -0.823 0.121
428 HB2 TYR 57 2HB TYR 57 20.377 2.693 -3.533
429 HB3 TYR 57 1HB TYR 57 21.831 3.393 -4.241
430 HA ALA 1 HA ALA 1 -15.966 -9.559 -0.552
431 H1 ALA 1 1H ALA 1 -17.299 -11.051 0.787
432 H2 ALA 1 2H ALA 1 -16.296 -10.785 2.123
433 H3 ALA 1 3H ALA 1 -15.683 -11.552 0.745
434 HB1 ALA 1 3HB ALA 1 -17.917 -8.691 0.626
435 HB2 ALA 1 1HB ALA 1 -16.645 -7.476 0.524
436 HB3 ALA 1 2HB ALA 1 -16.918 -8.340 2.036
437 HA PRO 2 HA PRO 2 -11.794 -8.900 0.803
438 HB2 PRO 2 1HB PRO 2 -11.296 -8.661 -1.436
439 HB3 PRO 2 2HB PRO 2 -11.070 -6.975 -0.952
440 HG2 PRO 2 2HG PRO 2 -13.168 -6.341 -1.722
441 HG3 PRO 2 1HG PRO 2 -12.774 -7.611 -2.895
442 HD2 PRO 2 2HD PRO 2 -15.028 -7.651 -1.383
443 HD3 PRO 2 1HD PRO 2 -14.206 -9.127 -1.925
444 HA PRO 3 HA PRO 3 -12.215 -5.412 3.555
445 HB2 PRO 3 1HB PRO 3 -10.944 -6.661 5.020
446 HB3 PRO 3 2HB PRO 3 -9.737 -5.434 4.619
447 HG2 PRO 3 2HG PRO 3 -8.662 -6.812 3.088
448 HG3 PRO 3 1HG PRO 3 -9.214 -8.019 4.262
449 HD2 PRO 3 2HD PRO 3 -9.837 -8.129 1.617
450 HD3 PRO 3 1HD PRO 3 -10.895 -8.770 2.889
451 H GLY 4 HN GLY 4 -12.285 -4.162 1.385
452 HA2 GLY 4 2HA GLY 4 -11.547 -2.436 0.058
453 HA3 GLY 4 1HA GLY 4 -10.853 -1.833 1.556
454 H THR 5 HN THR 5 -10.246 -3.274 -1.487
455 HA THR 5 HA THR 5 -7.418 -2.774 -1.227
456 HB THR 5 HB THR 5 -6.694 -5.022 -1.911
457 HG1 THR 5 HG1 THR 5 -8.637 -5.748 -2.868
458 HG21 THR 5 3HG2 THR 5 -7.039 -6.152 0.227
459 HG22 THR 5 1HG2 THR 5 -8.354 -5.041 0.611
460 HG23 THR 5 2HG2 THR 5 -6.703 -4.438 0.471
461 H ALA 6 HN ALA 6 -6.373 -2.482 -3.197
462 HA ALA 6 HA ALA 6 -7.856 -3.131 -5.636
463 HB1 ALA 6 3HB ALA 6 -8.582 -0.901 -5.108
464 HB2 ALA 6 1HB ALA 6 -7.547 -0.869 -6.533
465 HB3 ALA 6 2HB ALA 6 -6.912 -0.365 -4.969
466 H ARG 7 HN ARG 7 -5.146 -0.876 -5.337
467 HA ARG 7 HA ARG 7 -3.706 -1.935 -7.436
468 HE ARG 7 HE ARG 7 -1.402 0.599 -8.371
469 HB2 ARG 7 2HB ARG 7 -2.682 -0.391 -5.053
470 HB3 ARG 7 1HB ARG 7 -1.765 -0.683 -6.523
471 HG2 ARG 7 2HG ARG 7 -4.350 0.850 -6.323
472 HG3 ARG 7 1HG ARG 7 -2.739 1.540 -6.528
473 HD2 ARG 7 2HD ARG 7 -4.088 -0.335 -8.469
474 HD3 ARG 7 1HD ARG 7 -4.007 1.418 -8.642
475 HH11 ARG 7 1HH1 ARG 7 -4.032 -0.091 -10.545
476 HH12 ARG 7 2HH1 ARG 7 -3.001 -0.415 -11.899
477 HH21 ARG 7 2HH2 ARG 7 -0.727 -0.264 -11.672
478 HH22 ARG 7 1HH2 ARG 7 -0.033 0.176 -10.147
479 H ARG 8 HN ARG 8 -1.700 -2.002 -4.566
480 HA ARG 8 HA ARG 8 -0.357 -3.661 -3.774
481 HE ARG 8 HE ARG 8 -2.251 -7.045 -2.015
482 HB2 ARG 8 2HB ARG 8 -3.039 -4.957 -4.077
483 HB3 ARG 8 1HB ARG 8 -1.661 -5.938 -3.587
484 HG2 ARG 8 2HG ARG 8 -1.312 -4.558 -1.645
485 HG3 ARG 8 1HG ARG 8 -2.577 -3.446 -2.170
486 HD2 ARG 8 2HD ARG 8 -3.407 -4.930 -0.433
487 HD3 ARG 8 1HD ARG 8 -4.233 -5.233 -1.960
488 HH11 ARG 8 1HH1 ARG 8 -4.587 -6.214 0.430
489 HH12 ARG 8 2HH1 ARG 8 -4.652 -7.812 1.095
490 HH21 ARG 8 2HH2 ARG 8 -3.368 -9.484 0.195
491 HH22 ARG 8 1HH2 ARG 8 -2.329 -9.151 -1.151
492 H LYS 9 HN LYS 9 0.469 -6.000 -4.298
493 HA LYS 9 HA LYS 9 0.330 -6.618 -7.141
494 HB2 LYS 9 2HB LYS 9 2.959 -6.014 -5.773
495 HB3 LYS 9 1HB LYS 9 2.762 -6.554 -7.432
496 HG2 LYS 9 2HG LYS 9 1.626 -3.980 -6.377
497 HG3 LYS 9 1HG LYS 9 3.199 -4.117 -7.165
498 HD2 LYS 9 2HD LYS 9 0.581 -4.942 -8.418
499 HD3 LYS 9 1HD LYS 9 1.374 -3.389 -8.691
500 HE2 LYS 9 2HE LYS 9 3.335 -4.555 -9.584
501 HE3 LYS 9 1HE LYS 9 2.537 -6.104 -9.314
502 HZ1 LYS 9 3HZ LYS 9 2.332 -5.406 -11.610
503 HZ2 LYS 9 1HZ LYS 9 1.592 -3.959 -11.140
504 HZ3 LYS 9 2HZ LYS 9 0.810 -5.435 -10.875
505 H ARG 10 HN ARG 10 2.440 -8.420 -7.288
506 HA ARG 10 HA ARG 10 1.393 -10.766 -6.346
507 HE ARG 10 HE ARG 10 6.825 -8.648 -7.631
508 HB2 ARG 10 2HB ARG 10 3.718 -11.700 -6.612
509 HB3 ARG 10 1HB ARG 10 3.085 -10.846 -8.013
510 HG2 ARG 10 2HG ARG 10 4.411 -8.913 -7.505
511 HG3 ARG 10 1HG ARG 10 4.945 -9.628 -5.983
512 HD2 ARG 10 2HD ARG 10 6.130 -11.364 -7.164
513 HD3 ARG 10 1HD ARG 10 5.497 -10.795 -8.708
514 HH11 ARG 10 1HH1 ARG 10 7.646 -11.920 -8.493
515 HH12 ARG 10 2HH1 ARG 10 9.290 -11.541 -8.884
516 HH21 ARG 10 2HH2 ARG 10 10.053 -9.391 -8.685
517 HH22 ARG 10 1HH2 ARG 10 8.987 -8.137 -8.144
518 H LYS 11 HN LYS 11 3.214 -8.412 -4.586
519 HA LYS 11 HA LYS 11 3.461 -8.182 -2.319
520 HB2 LYS 11 2HB LYS 11 2.653 -11.064 -1.936
521 HB3 LYS 11 1HB LYS 11 2.632 -9.766 -0.755
522 HG2 LYS 11 2HG LYS 11 0.791 -10.120 -3.106
523 HG3 LYS 11 1HG LYS 11 0.388 -10.224 -1.393
524 HD2 LYS 11 2HD LYS 11 1.375 -7.737 -2.784
525 HD3 LYS 11 1HD LYS 11 -0.316 -8.090 -2.427
526 HE2 LYS 11 2HE LYS 11 0.282 -8.226 -0.021
527 HE3 LYS 11 1HE LYS 11 1.919 -7.722 -0.437
528 HZ1 LYS 11 3HZ LYS 11 0.685 -5.823 0.269
529 HZ2 LYS 11 1HZ LYS 11 -0.576 -6.157 -0.810
530 HZ3 LYS 11 2HZ LYS 11 0.938 -5.682 -1.397
531 H ALA 12 HN ALA 12 5.669 -7.988 -2.897
532 HA ALA 12 HA ALA 12 7.521 -9.964 -3.317
533 HB1 ALA 12 3HB ALA 12 7.934 -7.510 -3.434
534 HB2 ALA 12 1HB ALA 12 9.208 -8.415 -2.615
535 HB3 ALA 12 2HB ALA 12 8.036 -7.493 -1.674
536 H ASP 13 HN ASP 13 6.031 -9.015 -0.303
537 HA ASP 13 HA ASP 13 7.698 -10.972 1.130
538 HB2 ASP 13 2HB ASP 13 7.833 -8.721 2.064
539 HB3 ASP 13 1HB ASP 13 6.079 -8.650 2.202
540 H SER 14 HN SER 14 6.072 -12.407 -0.152
541 HA SER 14 HA SER 14 3.429 -12.618 0.928
542 HG SER 14 HG SER 14 2.785 -15.221 -1.323
543 HB2 SER 14 2HB SER 14 3.881 -13.292 -1.378
544 HB3 SER 14 1HB SER 14 5.008 -14.526 -0.816
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 8.332 4.357 -6.306
2 H2 GLY 1 2H GLY 1 8.730 3.254 -5.086
3 H3 GLY 1 3H GLY 1 8.431 2.705 -6.657
4 HA2 GLY 1 1HA GLY 1 10.817 2.749 -6.099
5 HA3 GLY 1 2HA GLY 1 10.391 3.722 -7.498
6 H SER 2 HN SER 2 9.606 4.759 -4.261
7 HA SER 2 HA SER 2 11.891 6.195 -3.594
8 HG SER 2 HG SER 2 9.616 8.737 -5.811
9 HB2 SER 2 2HB SER 2 11.285 8.485 -4.242
10 HB3 SER 2 1HB SER 2 11.509 7.457 -5.656
11 H GLN 3 HN GLN 3 8.387 6.089 -3.582
12 HA GLN 3 HA GLN 3 8.261 7.414 -1.009
13 HB2 GLN 3 2HB GLN 3 6.145 6.261 -2.790
14 HB3 GLN 3 1HB GLN 3 5.799 6.998 -1.238
15 HG2 GLN 3 2HG GLN 3 6.749 9.106 -2.045
16 HG3 GLN 3 1HG GLN 3 7.057 8.357 -3.611
17 HE21 GLN 3 2HE2 GLN 3 3.773 8.605 -4.752
18 HE22 GLN 3 1HE2 GLN 3 5.337 7.908 -4.978
19 H VAL 4 HN VAL 4 7.818 6.402 0.917
20 HA VAL 4 HA VAL 4 8.272 3.532 0.929
21 HB VAL 4 HB VAL 4 7.848 5.096 3.437
22 HG11 VAL 4 1HG1 VAL 4 8.176 2.695 3.569
23 HG12 VAL 4 2HG1 VAL 4 9.538 3.547 4.294
24 HG13 VAL 4 3HG1 VAL 4 9.695 2.839 2.687
25 HG21 VAL 4 3HG2 VAL 4 10.281 5.255 1.678
26 HG22 VAL 4 1HG2 VAL 4 10.324 5.613 3.404
27 HG23 VAL 4 2HG2 VAL 4 9.318 6.581 2.328
28 H PHE 5 HN PHE 5 5.910 3.952 -0.207
29 HA PHE 5 HA PHE 5 4.131 2.446 1.319
30 HD1 PHE 5 HD1 PHE 5 4.876 6.369 3.008
31 HD2 PHE 5 HD2 PHE 5 2.468 5.676 -0.430
32 HE1 PHE 5 HE1 PHE 5 5.200 8.708 2.315
33 HE2 PHE 5 HE2 PHE 5 2.787 8.013 -1.131
34 HZ PHE 5 HZ PHE 5 4.155 9.533 0.243
35 HB2 PHE 5 2HB PHE 5 2.402 4.231 1.767
36 HB3 PHE 5 1HB PHE 5 3.846 4.334 2.761
37 H GLU 6 HN GLU 6 2.365 1.812 0.092
38 HA GLU 6 HA GLU 6 1.972 3.131 -2.509
39 HB2 GLU 6 2HB GLU 6 3.254 1.081 -2.851
40 HB3 GLU 6 1HB GLU 6 2.042 0.151 -1.977
41 HG2 GLU 6 2HG GLU 6 1.885 -0.077 -4.429
42 HG3 GLU 6 1HG GLU 6 0.414 0.559 -3.694
43 H TYR 7 HN TYR 7 -0.153 3.282 -3.250
44 HA TYR 7 HA TYR 7 -2.176 2.855 -1.228
45 HD1 TYR 7 HD1 TYR 7 -4.017 3.314 -4.961
46 HD2 TYR 7 HD2 TYR 7 -0.460 5.456 -4.038
47 HE1 TYR 7 HE1 TYR 7 -3.581 3.612 -7.363
48 HE2 TYR 7 HE2 TYR 7 -0.014 5.762 -6.436
49 HH TYR 7 HH TYR 7 -2.337 5.107 -8.838
50 HB2 TYR 7 2HB TYR 7 -3.600 4.194 -2.704
51 HB3 TYR 7 1HB TYR 7 -2.095 5.013 -2.330
52 H ALA 8 HN ALA 8 -3.192 1.078 -1.075
53 HA ALA 8 HA ALA 8 -3.686 -0.561 -3.461
54 HB1 ALA 8 3HB ALA 8 -2.579 -1.698 -1.636
55 HB2 ALA 8 1HB ALA 8 -4.210 -2.341 -1.813
56 HB3 ALA 8 2HB ALA 8 -3.842 -1.202 -0.516
57 H GLU 9 HN GLU 9 -5.258 1.541 -3.627
58 HA GLU 9 HA GLU 9 -7.835 0.684 -2.534
59 HB2 GLU 9 2HB GLU 9 -8.333 2.791 -1.898
60 HB3 GLU 9 1HB GLU 9 -6.597 2.921 -1.840
61 HG2 GLU 9 2HG GLU 9 -8.333 3.797 -4.125
62 HG3 GLU 9 1HG GLU 9 -7.658 4.850 -2.892
63 H VAL 10 HN VAL 10 -9.702 1.409 -3.697
64 HA VAL 10 HA VAL 10 -9.228 0.900 -6.483
65 HB VAL 10 HB VAL 10 -11.816 0.729 -5.036
66 HG11 VAL 10 1HG1 VAL 10 -12.695 -0.341 -6.914
67 HG12 VAL 10 2HG1 VAL 10 -11.096 -0.686 -7.571
68 HG13 VAL 10 3HG1 VAL 10 -11.724 0.959 -7.601
69 HG21 VAL 10 3HG2 VAL 10 -9.637 -1.269 -5.445
70 HG22 VAL 10 1HG2 VAL 10 -11.309 -1.783 -5.231
71 HG23 VAL 10 2HG2 VAL 10 -10.503 -0.856 -3.965
72 H ASP 11 HN ASP 11 -10.195 3.417 -4.433
73 HA ASP 11 HA ASP 11 -10.548 5.129 -6.756
74 HB2 ASP 11 2HB ASP 11 -12.828 4.366 -6.271
75 HB3 ASP 11 1HB ASP 11 -12.663 4.910 -4.607
76 H GLU 12 HN GLU 12 -10.417 4.883 -3.229
77 HA GLU 12 HA GLU 12 -8.759 7.252 -3.105
78 HB2 GLU 12 2HB GLU 12 -11.520 7.233 -1.891
79 HB3 GLU 12 1HB GLU 12 -10.266 8.371 -1.419
80 HG2 GLU 12 2HG GLU 12 -10.174 9.210 -3.721
81 HG3 GLU 12 1HG GLU 12 -11.454 8.083 -4.170
82 H ILE 13 HN ILE 13 -8.062 7.733 -0.812
83 HA ILE 13 HA ILE 13 -8.295 5.393 0.948
84 HB ILE 13 HB ILE 13 -5.933 5.190 1.324
85 HG12 ILE 13 2HG1 ILE 13 -5.408 7.637 1.225
86 HG13 ILE 13 1HG1 ILE 13 -4.274 6.656 0.299
87 HG21 ILE 13 1HG2 ILE 13 -5.654 5.519 -1.554
88 HG22 ILE 13 2HG2 ILE 13 -7.122 4.681 -1.081
89 HG23 ILE 13 3HG2 ILE 13 -5.566 4.066 -0.559
90 HD11 ILE 13 3HD1 ILE 13 -4.662 8.347 -1.178
91 HD12 ILE 13 1HD1 ILE 13 -6.327 8.579 -0.643
92 HD13 ILE 13 2HD1 ILE 13 -5.917 7.207 -1.671
93 H VAL 14 HN VAL 14 -6.675 6.146 3.004
94 HA VAL 14 HA VAL 14 -7.240 8.918 3.698
95 HB VAL 14 HB VAL 14 -8.260 6.597 5.347
96 HG11 VAL 14 1HG1 VAL 14 -9.012 8.258 6.971
97 HG12 VAL 14 2HG1 VAL 14 -8.259 9.540 6.023
98 HG13 VAL 14 3HG1 VAL 14 -7.258 8.306 6.789
99 HG21 VAL 14 3HG2 VAL 14 -9.712 7.232 3.488
100 HG22 VAL 14 1HG2 VAL 14 -9.710 8.902 4.048
101 HG23 VAL 14 2HG2 VAL 14 -10.446 7.640 5.037
102 H GLU 15 HN GLU 15 -6.172 5.871 5.194
103 HA GLU 15 HA GLU 15 -3.937 7.319 6.416
104 HB2 GLU 15 2HB GLU 15 -3.571 5.340 7.771
105 HB3 GLU 15 1HB GLU 15 -5.265 5.798 7.848
106 HG2 GLU 15 2HG GLU 15 -4.358 3.742 5.890
107 HG3 GLU 15 1HG GLU 15 -4.609 3.310 7.579
108 H LYS 16 HN LYS 16 -1.816 6.996 5.849
109 HA LYS 16 HA LYS 16 -1.139 4.847 3.994
110 HB2 LYS 16 2HB LYS 16 -0.022 6.591 2.481
111 HB3 LYS 16 1HB LYS 16 -1.772 6.436 2.384
112 HG2 LYS 16 2HG LYS 16 -2.087 8.416 3.675
113 HG3 LYS 16 1HG LYS 16 -0.363 8.513 4.041
114 HD2 LYS 16 2HD LYS 16 0.099 8.832 1.638
115 HD3 LYS 16 1HD LYS 16 -1.638 8.810 1.321
116 HE2 LYS 16 2HE LYS 16 -1.944 10.785 2.685
117 HE3 LYS 16 1HE LYS 16 -0.237 10.779 3.127
118 HZ1 LYS 16 3HZ LYS 16 -1.335 11.195 0.398
119 HZ2 LYS 16 1HZ LYS 16 0.312 11.132 0.785
120 HZ3 LYS 16 2HZ LYS 16 -0.653 12.382 1.391
121 H ARG 17 HN ARG 17 0.406 4.046 5.453
122 HA ARG 17 HA ARG 17 2.882 5.509 5.619
123 HE ARG 17 HE ARG 17 3.698 6.917 9.323
124 HB2 ARG 17 2HB ARG 17 1.269 4.974 8.108
125 HB3 ARG 17 1HB ARG 17 3.000 5.288 8.142
126 HG2 ARG 17 2HG ARG 17 2.620 7.472 7.110
127 HG3 ARG 17 1HG ARG 17 0.884 7.154 7.091
128 HD2 ARG 17 2HD ARG 17 1.503 8.557 8.987
129 HD3 ARG 17 1HD ARG 17 0.876 7.000 9.522
130 HH11 ARG 17 1HH1 ARG 17 1.125 8.183 11.299
131 HH12 ARG 17 2HH1 ARG 17 2.068 8.186 12.751
132 HH21 ARG 17 2HH2 ARG 17 4.241 7.469 12.712
133 HH22 ARG 17 1HH2 ARG 17 4.948 6.917 11.231
134 H GLY 18 HN GLY 18 3.848 3.727 4.564
135 HA2 GLY 18 2HA GLY 18 4.272 1.453 6.329
136 HA3 GLY 18 1HA GLY 18 3.447 1.106 4.829
137 H LYS 19 HN LYS 19 4.753 -0.001 3.669
138 HA LYS 19 HA LYS 19 7.508 0.904 3.272
139 HB2 LYS 19 2HB LYS 19 6.237 -1.811 3.294
140 HB3 LYS 19 1HB LYS 19 7.882 -1.541 2.730
141 HG2 LYS 19 2HG LYS 19 8.490 -0.659 4.924
142 HG3 LYS 19 1HG LYS 19 6.845 -0.962 5.490
143 HD2 LYS 19 2HD LYS 19 7.103 -3.314 5.097
144 HD3 LYS 19 1HD LYS 19 8.702 -3.057 4.400
145 HE2 LYS 19 2HE LYS 19 9.495 -2.195 6.559
146 HE3 LYS 19 1HE LYS 19 7.897 -2.463 7.252
147 HZ1 LYS 19 3HZ LYS 19 9.679 -4.574 6.164
148 HZ2 LYS 19 1HZ LYS 19 8.154 -4.825 6.854
149 HZ3 LYS 19 2HZ LYS 19 9.428 -4.249 7.805
150 H GLY 20 HN GLY 20 6.935 -1.523 1.110
151 HA2 GLY 20 2HA GLY 20 6.325 0.375 -1.001
152 HA3 GLY 20 1HA GLY 20 6.936 -1.266 -1.206
153 H LYS 21 HN LYS 21 5.359 -2.605 0.440
154 HA LYS 21 HA LYS 21 2.614 -2.250 -0.543
155 HB2 LYS 21 2HB LYS 21 3.790 -4.976 -0.156
156 HB3 LYS 21 1HB LYS 21 2.441 -4.490 -1.166
157 HG2 LYS 21 2HG LYS 21 5.298 -3.756 -1.737
158 HG3 LYS 21 1HG LYS 21 4.503 -5.186 -2.393
159 HD2 LYS 21 2HD LYS 21 2.859 -3.790 -3.504
160 HD3 LYS 21 1HD LYS 21 3.575 -2.344 -2.793
161 HE2 LYS 21 2HE LYS 21 5.751 -3.218 -3.949
162 HE3 LYS 21 1HE LYS 21 4.619 -4.118 -4.954
163 HZ1 LYS 21 3HZ LYS 21 3.531 -2.031 -5.520
164 HZ2 LYS 21 1HZ LYS 21 5.167 -1.995 -5.949
165 HZ3 LYS 21 2HZ LYS 21 4.635 -1.174 -4.570
166 H ASP 22 HN ASP 22 4.554 -2.344 2.153
167 HA ASP 22 HA ASP 22 2.877 -3.945 3.828
168 HB2 ASP 22 2HB ASP 22 5.447 -3.785 4.015
169 HB3 ASP 22 1HB ASP 22 5.144 -2.236 4.782
170 H VAL 23 HN VAL 23 2.367 -1.124 2.610
171 HA VAL 23 HA VAL 23 1.740 0.353 4.996
172 HB VAL 23 HB VAL 23 2.701 1.369 2.919
173 HG11 VAL 23 1HG1 VAL 23 1.456 0.368 1.175
174 HG12 VAL 23 2HG1 VAL 23 0.931 2.047 1.228
175 HG13 VAL 23 3HG1 VAL 23 -0.085 0.795 1.915
176 HG21 VAL 23 3HG2 VAL 23 1.860 3.366 3.535
177 HG22 VAL 23 1HG2 VAL 23 1.158 2.409 4.838
178 HG23 VAL 23 2HG2 VAL 23 0.187 2.818 3.425
179 H GLU 24 HN GLU 24 -0.287 1.170 5.482
180 HA GLU 24 HA GLU 24 -2.484 -0.546 4.569
181 HB2 GLU 24 2HB GLU 24 -3.661 0.337 6.630
182 HB3 GLU 24 1HB GLU 24 -2.288 -0.715 6.928
183 HG2 GLU 24 2HG GLU 24 -0.889 1.234 7.384
184 HG3 GLU 24 1HG GLU 24 -2.266 2.291 7.076
185 H TYR 25 HN TYR 25 -3.722 0.384 3.077
186 HA TYR 25 HA TYR 25 -4.175 3.278 3.200
187 HD1 TYR 25 HD1 TYR 25 -3.846 4.802 -0.136
188 HD2 TYR 25 HD2 TYR 25 -1.340 2.269 2.173
189 HE1 TYR 25 HE1 TYR 25 -1.973 6.366 -0.428
190 HE2 TYR 25 HE2 TYR 25 0.526 3.824 1.894
191 HH TYR 25 HH TYR 25 1.220 5.586 0.300
192 HB2 TYR 25 2HB TYR 25 -3.569 1.480 0.913
193 HB3 TYR 25 1HB TYR 25 -4.708 2.791 0.634
194 H LEU 26 HN LEU 26 -6.279 3.995 2.703
195 HA LEU 26 HA LEU 26 -8.345 2.032 3.232
196 HG LEU 26 HG LEU 26 -10.660 3.321 2.935
197 HB2 LEU 26 2HB LEU 26 -8.625 4.010 4.502
198 HB3 LEU 26 1HB LEU 26 -8.267 5.037 3.131
199 HD11 LEU 26 1HD1 LEU 26 -11.116 4.031 5.100
200 HD12 LEU 26 2HD1 LEU 26 -11.958 5.200 4.082
201 HD13 LEU 26 3HD1 LEU 26 -10.414 5.623 4.820
202 HD21 LEU 26 3HD2 LEU 26 -11.527 5.501 1.937
203 HD22 LEU 26 1HD2 LEU 26 -10.293 4.607 1.047
204 HD23 LEU 26 2HD2 LEU 26 -9.844 6.028 1.988
205 H VAL 27 HN VAL 27 -10.236 1.870 1.850
206 HA VAL 27 HA VAL 27 -9.824 2.967 -0.792
207 HB VAL 27 HB VAL 27 -9.290 1.185 -1.825
208 HG11 VAL 27 1HG1 VAL 27 -8.574 -0.856 -0.640
209 HG12 VAL 27 2HG1 VAL 27 -9.311 -0.212 0.826
210 HG13 VAL 27 3HG1 VAL 27 -7.956 0.633 0.076
211 HG21 VAL 27 3HG2 VAL 27 -11.617 -0.255 -0.603
212 HG22 VAL 27 1HG2 VAL 27 -10.574 -0.949 -1.839
213 HG23 VAL 27 2HG2 VAL 27 -11.532 0.486 -2.196
214 H ARG 28 HN ARG 28 -11.458 4.141 -1.179
215 HA ARG 28 HA ARG 28 -14.126 3.350 -0.399
216 HE ARG 28 HE ARG 28 -15.614 6.895 -0.260
217 HB2 ARG 28 2HB ARG 28 -13.352 5.528 -2.320
218 HB3 ARG 28 1HB ARG 28 -14.851 5.402 -1.414
219 HG2 ARG 28 2HG ARG 28 -13.537 5.741 0.677
220 HG3 ARG 28 1HG ARG 28 -12.120 6.053 -0.327
221 HD2 ARG 28 2HD ARG 28 -13.203 8.132 0.379
222 HD3 ARG 28 1HD ARG 28 -13.255 7.935 -1.373
223 HH11 ARG 28 1HH1 ARG 28 -14.010 9.942 -0.778
224 HH12 ARG 28 2HH1 ARG 28 -15.482 10.848 -0.886
225 HH21 ARG 28 2HH2 ARG 28 -17.503 9.786 -0.664
226 HH22 ARG 28 1HH2 ARG 28 -17.561 8.076 -0.395
227 H TRP 29 HN TRP 29 -13.660 1.324 -1.434
228 HA TRP 29 HA TRP 29 -13.076 0.452 -3.787
229 HD1 TRP 29 HD1 TRP 29 -13.089 -1.027 -5.147
230 HE1 TRP 29 HE1 TRP 29 -13.208 -3.461 -5.975
231 HE3 TRP 29 HE3 TRP 29 -16.465 -2.867 -1.778
232 HZ2 TRP 29 HZ2 TRP 29 -14.555 -5.845 -5.292
233 HZ3 TRP 29 HZ3 TRP 29 -17.117 -5.235 -1.935
234 HH2 TRP 29 HH2 TRP 29 -16.182 -6.692 -3.657
235 HB2 TRP 29 2HB TRP 29 -14.447 -0.621 -1.864
236 HB3 TRP 29 1HB TRP 29 -15.834 -0.261 -2.883
237 H LYS 30 HN LYS 30 -13.102 2.014 -5.328
238 HA LYS 30 HA LYS 30 -14.852 3.638 -6.455
239 HB2 LYS 30 2HB LYS 30 -12.784 2.990 -7.597
240 HB3 LYS 30 1HB LYS 30 -13.518 1.470 -8.080
241 HG2 LYS 30 2HG LYS 30 -13.478 3.100 -9.901
242 HG3 LYS 30 1HG LYS 30 -15.122 2.641 -9.455
243 HD2 LYS 30 2HD LYS 30 -15.374 4.693 -8.178
244 HD3 LYS 30 1HD LYS 30 -13.704 5.140 -8.534
245 HE2 LYS 30 2HE LYS 30 -15.311 6.319 -9.974
246 HE3 LYS 30 1HE LYS 30 -14.215 5.291 -10.897
247 HZ1 LYS 30 3HZ LYS 30 -17.003 4.600 -10.138
248 HZ2 LYS 30 1HZ LYS 30 -15.952 3.617 -11.029
249 HZ3 LYS 30 2HZ LYS 30 -16.491 5.085 -11.676
250 H ASP 31 HN ASP 31 -15.319 0.147 -6.581
251 HA ASP 31 HA ASP 31 -18.037 0.600 -7.625
252 HB2 ASP 31 2HB ASP 31 -16.290 -1.858 -7.923
253 HB3 ASP 31 1HB ASP 31 -17.941 -1.702 -8.518
254 H GLY 32 HN GLY 32 -17.983 1.036 -5.089
255 HA2 GLY 32 2HA GLY 32 -19.200 -1.332 -3.885
256 HA3 GLY 32 1HA GLY 32 -17.814 -0.632 -3.055
257 H GLY 33 HN GLY 33 -18.794 0.089 -1.235
258 HA2 GLY 33 2HA GLY 33 -20.511 2.427 -1.552
259 HA3 GLY 33 1HA GLY 33 -21.183 1.077 -0.651
260 H ASP 34 HN ASP 34 -19.067 0.202 0.822
261 HA ASP 34 HA ASP 34 -18.741 2.413 2.697
262 HB2 ASP 34 2HB ASP 34 -18.073 -0.519 3.033
263 HB3 ASP 34 1HB ASP 34 -18.066 0.700 4.304
264 H CYS 35 HN CYS 35 -16.630 2.621 3.838
265 HA CYS 35 HA CYS 35 -14.390 2.157 1.982
266 HG CYS 35 HG CYS 35 -14.425 6.114 4.460
267 HB2 CYS 35 2HB CYS 35 -13.383 4.239 2.845
268 HB3 CYS 35 1HB CYS 35 -14.938 4.528 2.074
269 H GLU 36 HN GLU 36 -13.171 0.573 2.781
270 HA GLU 36 HA GLU 36 -12.675 0.512 5.679
271 HB2 GLU 36 2HB GLU 36 -12.863 -1.668 3.626
272 HB3 GLU 36 1HB GLU 36 -11.984 -1.925 5.123
273 HG2 GLU 36 2HG GLU 36 -14.889 -1.192 4.854
274 HG3 GLU 36 1HG GLU 36 -14.239 -2.766 5.307
275 H TRP 37 HN TRP 37 -10.487 -0.824 6.053
276 HA TRP 37 HA TRP 37 -8.438 0.695 4.613
277 HD1 TRP 37 HD1 TRP 37 -9.185 2.541 5.642
278 HE1 TRP 37 HE1 TRP 37 -9.936 4.169 7.490
279 HE3 TRP 37 HE3 TRP 37 -7.924 -0.244 9.742
280 HZ2 TRP 37 HZ2 TRP 37 -9.984 4.262 10.311
281 HZ3 TRP 37 HZ3 TRP 37 -8.354 0.689 11.978
282 HH2 TRP 37 HH2 TRP 37 -9.362 2.894 12.256
283 HB2 TRP 37 2HB TRP 37 -8.266 -0.794 7.237
284 HB3 TRP 37 1HB TRP 37 -6.995 0.190 6.526
285 H VAL 38 HN VAL 38 -6.574 -0.268 3.800
286 HA VAL 38 HA VAL 38 -6.900 -3.055 3.029
287 HB VAL 38 HB VAL 38 -4.715 -1.125 2.236
288 HG11 VAL 38 1HG1 VAL 38 -4.506 -2.779 0.319
289 HG12 VAL 38 2HG1 VAL 38 -5.503 -3.867 1.281
290 HG13 VAL 38 3HG1 VAL 38 -3.940 -3.329 1.894
291 HG21 VAL 38 3HG2 VAL 38 -6.918 -1.942 0.408
292 HG22 VAL 38 1HG2 VAL 38 -5.941 -0.475 0.408
293 HG23 VAL 38 2HG2 VAL 38 -7.229 -0.681 1.597
294 H LYS 39 HN LYS 39 -5.021 -4.542 3.193
295 HA LYS 39 HA LYS 39 -4.083 -4.563 5.866
296 HB2 LYS 39 2HB LYS 39 -4.676 -6.556 4.329
297 HB3 LYS 39 1HB LYS 39 -3.036 -6.378 3.723
298 HG2 LYS 39 2HG LYS 39 -3.033 -8.065 5.402
299 HG3 LYS 39 1HG LYS 39 -2.216 -6.644 6.059
300 HD2 LYS 39 2HD LYS 39 -4.196 -6.027 7.296
301 HD3 LYS 39 1HD LYS 39 -5.110 -7.340 6.552
302 HE2 LYS 39 2HE LYS 39 -3.578 -8.961 7.605
303 HE3 LYS 39 1HE LYS 39 -2.741 -7.627 8.397
304 HZ1 LYS 39 3HZ LYS 39 -5.592 -8.367 8.782
305 HZ2 LYS 39 1HZ LYS 39 -4.810 -7.062 9.526
306 HZ3 LYS 39 2HZ LYS 39 -4.337 -8.646 9.881
307 H GLY 40 HN GLY 40 -2.642 -3.114 6.470
308 HA2 GLY 40 2HA GLY 40 -0.362 -2.524 4.766
309 HA3 GLY 40 1HA GLY 40 -0.784 -1.690 6.249
310 H VAL 41 HN VAL 41 -0.353 -5.150 5.693
311 HA VAL 41 HA VAL 41 1.936 -5.084 7.553
312 HB VAL 41 HB VAL 41 0.349 -7.571 7.110
313 HG11 VAL 41 1HG1 VAL 41 2.492 -7.655 8.295
314 HG12 VAL 41 2HG1 VAL 41 1.145 -8.115 9.337
315 HG13 VAL 41 3HG1 VAL 41 1.869 -6.514 9.488
316 HG21 VAL 41 3HG2 VAL 41 -1.036 -6.986 9.100
317 HG22 VAL 41 1HG2 VAL 41 -1.370 -5.984 7.687
318 HG23 VAL 41 2HG2 VAL 41 -0.394 -5.346 9.010
319 H HIS 42 HN HIS 42 1.423 -5.140 4.415
320 HA HIS 42 HA HIS 42 2.766 -7.558 3.683
321 HD1 HIS 42 HD1 HIS 42 -0.037 -8.094 2.231
322 HD2 HIS 42 HD2 HIS 42 3.461 -7.777 0.014
323 HE1 HIS 42 HE1 HIS 42 -0.016 -10.103 0.720
324 HE2 HIS 42 HE2 HIS 42 2.180 -9.962 -0.507
325 HB2 HIS 42 2HB HIS 42 1.122 -5.745 2.341
326 HB3 HIS 42 1HB HIS 42 2.705 -5.610 1.565
327 H VAL 43 HN VAL 43 4.489 -7.335 5.001
328 HA VAL 43 HA VAL 43 6.440 -5.369 4.905
329 HB VAL 43 HB VAL 43 6.765 -8.310 5.489
330 HG11 VAL 43 1HG1 VAL 43 8.677 -7.071 6.965
331 HG12 VAL 43 2HG1 VAL 43 8.692 -6.096 5.494
332 HG13 VAL 43 3HG1 VAL 43 8.958 -7.835 5.401
333 HG21 VAL 43 3HG2 VAL 43 6.451 -7.765 7.778
334 HG22 VAL 43 1HG2 VAL 43 5.128 -7.017 6.885
335 HG23 VAL 43 2HG2 VAL 43 6.485 -6.035 7.439
336 H ALA 44 HN ALA 44 6.341 -4.985 2.541
337 HA ALA 44 HA ALA 44 8.091 -6.736 1.013
338 HB1 ALA 44 3HB ALA 44 6.012 -5.809 -0.021
339 HB2 ALA 44 1HB ALA 44 7.482 -5.414 -0.911
340 HB3 ALA 44 2HB ALA 44 6.719 -4.199 0.114
341 H GLU 45 HN GLU 45 9.414 -5.799 3.069
342 HA GLU 45 HA GLU 45 10.601 -3.366 3.190
343 HB2 GLU 45 2HB GLU 45 12.380 -4.337 4.377
344 HB3 GLU 45 1HB GLU 45 11.032 -5.431 4.644
345 HG2 GLU 45 2HG GLU 45 11.924 -6.948 2.938
346 HG3 GLU 45 1HG GLU 45 13.271 -5.844 2.669
347 H ASP 46 HN ASP 46 11.141 -5.831 0.825
348 HA ASP 46 HA ASP 46 13.523 -4.757 -0.323
349 HB2 ASP 46 2HB ASP 46 13.063 -6.225 -2.205
350 HB3 ASP 46 1HB ASP 46 12.765 -7.086 -0.697
351 H VAL 47 HN VAL 47 10.083 -4.437 -1.131
352 HA VAL 47 HA VAL 47 10.447 -2.790 -3.378
353 HB VAL 47 HB VAL 47 8.113 -2.777 -1.459
354 HG11 VAL 47 1HG1 VAL 47 8.152 -2.038 -4.376
355 HG12 VAL 47 2HG1 VAL 47 8.323 -0.859 -3.076
356 HG13 VAL 47 3HG1 VAL 47 6.844 -1.807 -3.216
357 HG21 VAL 47 3HG2 VAL 47 7.102 -4.444 -2.848
358 HG22 VAL 47 1HG2 VAL 47 8.700 -5.019 -2.380
359 HG23 VAL 47 2HG2 VAL 47 8.438 -4.369 -3.997
360 H ALA 48 HN ALA 48 10.135 -2.088 0.001
361 HA ALA 48 HA ALA 48 10.080 0.724 -0.031
362 HB1 ALA 48 3HB ALA 48 10.603 0.521 2.373
363 HB2 ALA 48 1HB ALA 48 10.811 -1.217 2.147
364 HB3 ALA 48 2HB ALA 48 9.237 -0.473 1.865
365 H LYS 49 HN LYS 49 12.673 -1.554 0.926
366 HA LYS 49 HA LYS 49 14.685 0.403 1.128
367 HB2 LYS 49 2HB LYS 49 14.875 -2.561 0.556
368 HB3 LYS 49 1HB LYS 49 16.266 -1.537 0.886
369 HG2 LYS 49 2HG LYS 49 13.998 -2.184 2.752
370 HG3 LYS 49 1HG LYS 49 15.683 -2.688 2.891
371 HD2 LYS 49 2HD LYS 49 15.759 -0.920 4.311
372 HD3 LYS 49 1HD LYS 49 16.040 -0.041 2.809
373 HE2 LYS 49 2HE LYS 49 13.547 0.308 2.681
374 HE3 LYS 49 1HE LYS 49 13.451 -0.340 4.316
375 HZ1 LYS 49 3HZ LYS 49 13.526 2.065 4.343
376 HZ2 LYS 49 1HZ LYS 49 14.988 2.064 3.489
377 HZ3 LYS 49 2HZ LYS 49 14.924 1.436 5.058
378 H ASP 50 HN ASP 50 13.316 -1.313 -1.537
379 HA ASP 50 HA ASP 50 15.355 -0.375 -3.387
380 HB2 ASP 50 2HB ASP 50 14.273 -2.728 -3.413
381 HB3 ASP 50 1HB ASP 50 12.878 -1.918 -4.131
382 H TYR 51 HN TYR 51 12.362 0.616 -2.112
383 HA TYR 51 HA TYR 51 11.482 2.060 -4.386
384 HD1 TYR 51 HD1 TYR 51 10.419 0.704 -4.948
385 HD2 TYR 51 HD2 TYR 51 7.613 2.212 -2.118
386 HE1 TYR 51 HE1 TYR 51 8.587 -0.298 -6.231
387 HE2 TYR 51 HE2 TYR 51 5.781 1.211 -3.400
388 HH TYR 51 HH TYR 51 6.291 -1.055 -5.883
389 HB2 TYR 51 2HB TYR 51 10.425 1.552 -1.734
390 HB3 TYR 51 1HB TYR 51 10.034 3.134 -2.360
391 H GLU 52 HN GLU 52 12.162 3.063 -1.087
392 HA GLU 52 HA GLU 52 12.797 5.747 -1.932
393 HB2 GLU 52 2HB GLU 52 12.882 6.295 0.406
394 HB3 GLU 52 1HB GLU 52 11.472 5.282 0.124
395 HG2 GLU 52 2HG GLU 52 12.726 3.338 0.951
396 HG3 GLU 52 1HG GLU 52 14.104 4.387 1.279
397 H ASP 53 HN ASP 53 14.448 3.073 -0.322
398 HA ASP 53 HA ASP 53 16.988 4.436 -0.352
399 HB2 ASP 53 2HB ASP 53 16.599 3.065 1.537
400 HB3 ASP 53 1HB ASP 53 16.078 1.708 0.550
401 H GLY 54 HN GLY 54 15.230 2.472 -2.528
402 HA2 GLY 54 2HA GLY 54 17.508 1.313 -3.852
403 HA3 GLY 54 1HA GLY 54 15.846 1.298 -4.425
404 H LEU 55 HN LEU 55 15.462 4.135 -4.318
405 HA LEU 55 HA LEU 55 16.763 4.838 -6.810
406 HG LEU 55 HG LEU 55 15.483 6.535 -8.125
407 HB2 LEU 55 2HB LEU 55 14.321 5.247 -6.311
408 HB3 LEU 55 1HB LEU 55 14.832 6.484 -5.180
409 HD11 LEU 55 1HD1 LEU 55 13.740 8.244 -8.303
410 HD12 LEU 55 2HD1 LEU 55 13.301 7.967 -6.617
411 HD13 LEU 55 3HD1 LEU 55 13.079 6.685 -7.808
412 HD21 LEU 55 3HD2 LEU 55 15.868 8.467 -5.859
413 HD22 LEU 55 1HD2 LEU 55 15.837 8.992 -7.543
414 HD23 LEU 55 2HD2 LEU 55 17.064 7.849 -6.998
415 H GLU 56 HN GLU 56 16.334 6.460 -3.660
416 HA GLU 56 HA GLU 56 18.655 8.125 -4.189
417 HB2 GLU 56 2HB GLU 56 16.796 8.076 -1.821
418 HB3 GLU 56 1HB GLU 56 18.047 9.271 -2.106
419 HG2 GLU 56 2HG GLU 56 16.891 9.991 -4.137
420 HG3 GLU 56 1HG GLU 56 15.629 8.798 -3.834
421 H TYR 57 HN TYR 57 19.802 5.878 -4.168
422 HA TYR 57 HA TYR 57 20.475 4.983 -1.483
423 HD1 TYR 57 HD1 TYR 57 20.586 1.945 -1.265
424 HD2 TYR 57 HD2 TYR 57 23.738 3.665 -3.547
425 HE1 TYR 57 HE1 TYR 57 22.201 0.475 -0.133
426 HE2 TYR 57 HE2 TYR 57 25.361 2.198 -2.423
427 HH TYR 57 HH TYR 57 24.436 -0.470 -0.547
428 HB2 TYR 57 2HB TYR 57 20.106 3.292 -3.219
429 HB3 TYR 57 1HB TYR 57 21.405 3.986 -4.185
430 HA ALA 1 HA ALA 1 -13.283 -6.699 7.160
431 H1 ALA 1 1H ALA 1 -14.906 -9.164 6.913
432 H2 ALA 1 2H ALA 1 -15.177 -7.915 8.020
433 H3 ALA 1 3H ALA 1 -13.764 -8.840 8.119
434 HB1 ALA 1 3HB ALA 1 -12.156 -7.463 5.142
435 HB2 ALA 1 1HB ALA 1 -13.138 -8.929 5.135
436 HB3 ALA 1 2HB ALA 1 -11.985 -8.646 6.439
437 HA PRO 2 HA PRO 2 -17.326 -5.582 5.139
438 HB2 PRO 2 1HB PRO 2 -17.786 -3.506 6.026
439 HB3 PRO 2 2HB PRO 2 -16.117 -2.950 5.854
440 HG2 PRO 2 2HG PRO 2 -16.191 -3.356 8.148
441 HG3 PRO 2 1HG PRO 2 -17.330 -4.703 7.962
442 HD2 PRO 2 2HD PRO 2 -14.372 -4.649 7.564
443 HD3 PRO 2 1HD PRO 2 -15.405 -5.947 8.198
444 HA PRO 3 HA PRO 3 -15.726 -4.857 1.080
445 HB2 PRO 3 1HB PRO 3 -17.529 -4.260 -0.218
446 HB3 PRO 3 2HB PRO 3 -17.971 -2.913 0.836
447 HG2 PRO 3 2HG PRO 3 -19.609 -4.445 1.439
448 HG3 PRO 3 1HG PRO 3 -18.547 -5.834 1.142
449 HD2 PRO 3 2HD PRO 3 -18.711 -4.044 3.519
450 HD3 PRO 3 1HD PRO 3 -18.337 -5.776 3.432
451 H GLY 4 HN GLY 4 -13.999 -3.643 0.662
452 HA2 GLY 4 2HA GLY 4 -13.721 -1.094 0.033
453 HA3 GLY 4 1HA GLY 4 -13.821 -0.949 1.780
454 H THR 5 HN THR 5 -12.087 -2.873 -0.663
455 HA THR 5 HA THR 5 -9.567 -2.161 0.566
456 HB THR 5 HB THR 5 -10.067 -4.080 1.909
457 HG1 THR 5 HG1 THR 5 -8.027 -4.515 1.555
458 HG21 THR 5 3HG2 THR 5 -10.581 -6.270 0.941
459 HG22 THR 5 1HG2 THR 5 -10.571 -5.562 -0.675
460 HG23 THR 5 2HG2 THR 5 -11.799 -5.075 0.494
461 H ALA 6 HN ALA 6 -7.730 -3.375 -0.601
462 HA ALA 6 HA ALA 6 -8.109 -4.254 -3.263
463 HB1 ALA 6 3HB ALA 6 -8.276 -2.317 -4.346
464 HB2 ALA 6 1HB ALA 6 -6.623 -1.962 -3.844
465 HB3 ALA 6 2HB ALA 6 -7.981 -1.402 -2.867
466 H ARG 7 HN ARG 7 -5.751 -3.811 -4.439
467 HA ARG 7 HA ARG 7 -3.717 -4.512 -2.432
468 HE ARG 7 HE ARG 7 -2.872 -6.744 -6.658
469 HB2 ARG 7 2HB ARG 7 -4.388 -6.567 -3.472
470 HB3 ARG 7 1HB ARG 7 -4.269 -5.857 -5.076
471 HG2 ARG 7 2HG ARG 7 -1.838 -5.626 -4.763
472 HG3 ARG 7 1HG ARG 7 -1.990 -6.421 -3.194
473 HD2 ARG 7 2HD ARG 7 -1.306 -8.047 -4.827
474 HD3 ARG 7 1HD ARG 7 -2.967 -8.387 -4.339
475 HH11 ARG 7 1HH1 ARG 7 -2.524 -10.027 -5.554
476 HH12 ARG 7 2HH1 ARG 7 -2.987 -10.724 -7.070
477 HH21 ARG 7 2HH2 ARG 7 -3.529 -9.372 -8.837
478 HH22 ARG 7 1HH2 ARG 7 -3.482 -7.649 -8.660
479 H ARG 8 HN ARG 8 -1.947 -3.266 -2.529
480 HA ARG 8 HA ARG 8 -1.591 -1.120 -4.180
481 HE ARG 8 HE ARG 8 0.282 -4.982 -0.539
482 HB2 ARG 8 2HB ARG 8 0.968 -1.597 -3.671
483 HB3 ARG 8 1HB ARG 8 -0.133 -1.038 -2.421
484 HG2 ARG 8 2HG ARG 8 -0.030 -3.945 -2.679
485 HG3 ARG 8 1HG ARG 8 1.510 -3.206 -2.245
486 HD2 ARG 8 2HD ARG 8 0.670 -2.320 -0.270
487 HD3 ARG 8 1HD ARG 8 -1.000 -2.428 -0.820
488 HH11 ARG 8 1HH1 ARG 8 -1.461 -2.458 1.107
489 HH12 ARG 8 2HH1 ARG 8 -2.067 -3.506 2.345
490 HH21 ARG 8 2HH2 ARG 8 -1.542 -5.732 2.328
491 HH22 ARG 8 1HH2 ARG 8 -0.525 -6.377 1.083
492 H LYS 9 HN LYS 9 0.288 -4.138 -4.551
493 HA LYS 9 HA LYS 9 -0.046 -4.081 -7.413
494 HB2 LYS 9 2HB LYS 9 2.681 -3.655 -6.175
495 HB3 LYS 9 1HB LYS 9 2.388 -3.968 -7.879
496 HG2 LYS 9 2HG LYS 9 0.923 -1.879 -7.835
497 HG3 LYS 9 1HG LYS 9 1.682 -1.536 -6.280
498 HD2 LYS 9 2HD LYS 9 2.874 -0.365 -8.017
499 HD3 LYS 9 1HD LYS 9 3.898 -1.656 -7.386
500 HE2 LYS 9 2HE LYS 9 3.351 -3.060 -9.285
501 HE3 LYS 9 1HE LYS 9 2.234 -1.840 -9.895
502 HZ1 LYS 9 3HZ LYS 9 4.355 -1.766 -11.049
503 HZ2 LYS 9 1HZ LYS 9 5.170 -1.496 -9.590
504 HZ3 LYS 9 2HZ LYS 9 4.098 -0.333 -10.188
505 H ARG 10 HN ARG 10 2.003 -5.801 -8.149
506 HA ARG 10 HA ARG 10 1.075 -8.302 -7.651
507 HE ARG 10 HE ARG 10 5.251 -9.724 -7.978
508 HB2 ARG 10 2HB ARG 10 3.292 -9.149 -8.300
509 HB3 ARG 10 1HB ARG 10 2.766 -7.832 -9.340
510 HG2 ARG 10 2HG ARG 10 4.232 -6.293 -8.260
511 HG3 ARG 10 1HG ARG 10 4.631 -7.472 -7.007
512 HD2 ARG 10 2HD ARG 10 5.270 -7.726 -9.946
513 HD3 ARG 10 1HD ARG 10 6.413 -7.287 -8.676
514 HH11 ARG 10 1HH1 ARG 10 7.342 -8.418 -10.438
515 HH12 ARG 10 2HH1 ARG 10 8.181 -9.910 -10.701
516 HH21 ARG 10 2HH2 ARG 10 7.615 -11.774 -9.493
517 HH22 ARG 10 1HH2 ARG 10 6.347 -11.693 -8.316
518 H LYS 11 HN LYS 11 3.082 -6.379 -5.564
519 HA LYS 11 HA LYS 11 3.593 -6.610 -3.357
520 HB2 LYS 11 2HB LYS 11 2.269 -9.321 -3.396
521 HB3 LYS 11 1HB LYS 11 2.597 -8.304 -2.001
522 HG2 LYS 11 2HG LYS 11 1.033 -6.608 -3.158
523 HG3 LYS 11 1HG LYS 11 0.498 -8.002 -4.100
524 HD2 LYS 11 2HD LYS 11 0.491 -7.804 -1.094
525 HD3 LYS 11 1HD LYS 11 -0.921 -7.636 -2.135
526 HE2 LYS 11 2HE LYS 11 0.809 -10.095 -1.890
527 HE3 LYS 11 1HE LYS 11 -0.781 -9.878 -1.160
528 HZ1 LYS 11 3HZ LYS 11 -0.217 -9.856 -4.077
529 HZ2 LYS 11 1HZ LYS 11 -1.741 -9.698 -3.358
530 HZ3 LYS 11 2HZ LYS 11 -0.888 -11.152 -3.221
531 H ALA 12 HN ALA 12 5.749 -6.734 -3.427
532 HA ALA 12 HA ALA 12 7.243 -8.857 -4.519
533 HB1 ALA 12 3HB ALA 12 8.097 -6.555 -4.173
534 HB2 ALA 12 1HB ALA 12 9.172 -7.802 -3.541
535 HB3 ALA 12 2HB ALA 12 8.154 -6.875 -2.439
536 H ASP 13 HN ASP 13 5.747 -8.430 -1.433
537 HA ASP 13 HA ASP 13 7.175 -10.780 -0.386
538 HB2 ASP 13 2HB ASP 13 7.410 -8.789 1.016
539 HB3 ASP 13 1HB ASP 13 5.659 -8.624 1.103
540 H SER 14 HN SER 14 5.446 -11.632 -2.104
541 HA SER 14 HA SER 14 2.779 -11.920 -1.089
542 HG SER 14 HG SER 14 1.862 -13.573 -3.981
543 HB2 SER 14 2HB SER 14 3.193 -11.905 -3.500
544 HB3 SER 14 1HB SER 14 4.191 -13.352 -3.353
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 8.505 2.474 -5.678
2 H2 GLY 1 2H GLY 1 8.266 1.688 -7.155
3 H3 GLY 1 3H GLY 1 8.172 3.374 -7.071
4 HA2 GLY 1 1HA GLY 1 10.625 1.791 -6.537
5 HA3 GLY 1 2HA GLY 1 10.269 2.587 -8.061
6 H SER 2 HN SER 2 9.525 3.908 -4.879
7 HA SER 2 HA SER 2 11.770 5.456 -4.423
8 HG SER 2 HG SER 2 12.003 8.194 -5.315
9 HB2 SER 2 2HB SER 2 11.444 6.554 -6.537
10 HB3 SER 2 1HB SER 2 9.744 6.848 -6.179
11 H GLN 3 HN GLN 3 8.283 5.236 -4.286
12 HA GLN 3 HA GLN 3 8.157 6.911 -1.931
13 HB2 GLN 3 2HB GLN 3 6.049 5.393 -3.423
14 HB3 GLN 3 1HB GLN 3 5.723 6.384 -2.014
15 HG2 GLN 3 2HG GLN 3 6.961 7.419 -4.554
16 HG3 GLN 3 1HG GLN 3 5.233 7.468 -4.205
17 HE21 GLN 3 2HE2 GLN 3 5.855 10.686 -3.019
18 HE22 GLN 3 1HE2 GLN 3 5.187 9.709 -4.277
19 H VAL 4 HN VAL 4 7.743 6.216 0.122
20 HA VAL 4 HA VAL 4 8.334 3.422 0.649
21 HB VAL 4 HB VAL 4 9.526 5.138 1.938
22 HG11 VAL 4 1HG1 VAL 4 7.818 6.864 1.973
23 HG12 VAL 4 2HG1 VAL 4 8.340 6.480 3.614
24 HG13 VAL 4 3HG1 VAL 4 6.803 5.862 3.011
25 HG21 VAL 4 3HG2 VAL 4 9.647 3.715 3.643
26 HG22 VAL 4 1HG2 VAL 4 8.284 2.854 2.929
27 HG23 VAL 4 2HG2 VAL 4 8.002 4.092 4.155
28 H PHE 5 HN PHE 5 5.931 3.635 -0.564
29 HA PHE 5 HA PHE 5 4.192 2.315 1.161
30 HD1 PHE 5 HD1 PHE 5 4.791 6.448 2.331
31 HD2 PHE 5 HD2 PHE 5 2.555 5.226 -1.078
32 HE1 PHE 5 HE1 PHE 5 5.105 8.674 1.332
33 HE2 PHE 5 HE2 PHE 5 2.866 7.450 -2.084
34 HZ PHE 5 HZ PHE 5 4.143 9.177 -0.878
35 HB2 PHE 5 2HB PHE 5 2.410 4.112 1.312
36 HB3 PHE 5 1HB PHE 5 3.825 4.366 2.321
37 H GLU 6 HN GLU 6 1.886 2.275 0.148
38 HA GLU 6 HA GLU 6 1.755 2.777 -2.674
39 HB2 GLU 6 2HB GLU 6 3.002 0.645 -2.533
40 HB3 GLU 6 1HB GLU 6 1.688 -0.065 -1.606
41 HG2 GLU 6 2HG GLU 6 1.487 0.944 -4.439
42 HG3 GLU 6 1HG GLU 6 1.693 -0.739 -3.963
43 H TYR 7 HN TYR 7 -0.334 3.311 -3.134
44 HA TYR 7 HA TYR 7 -2.301 2.931 -1.061
45 HD1 TYR 7 HD1 TYR 7 -0.430 5.034 -4.053
46 HD2 TYR 7 HD2 TYR 7 -4.557 4.109 -4.512
47 HE1 TYR 7 HE1 TYR 7 -0.228 5.364 -6.482
48 HE2 TYR 7 HE2 TYR 7 -4.367 4.434 -6.940
49 HH TYR 7 HH TYR 7 -1.379 4.675 -8.536
50 HB2 TYR 7 2HB TYR 7 -3.670 4.454 -2.362
51 HB3 TYR 7 1HB TYR 7 -2.067 5.127 -2.126
52 H ALA 8 HN ALA 8 -3.175 0.923 -1.016
53 HA ALA 8 HA ALA 8 -3.860 -0.387 -3.533
54 HB1 ALA 8 3HB ALA 8 -4.077 -2.337 -2.348
55 HB2 ALA 8 1HB ALA 8 -4.673 -1.516 -0.906
56 HB3 ALA 8 2HB ALA 8 -2.956 -1.471 -1.297
57 H GLU 9 HN GLU 9 -5.216 1.715 -3.734
58 HA GLU 9 HA GLU 9 -7.902 1.318 -2.612
59 HB2 GLU 9 2HB GLU 9 -7.479 3.352 -1.803
60 HB3 GLU 9 1HB GLU 9 -6.123 3.599 -2.884
61 HG2 GLU 9 2HG GLU 9 -8.985 3.963 -3.677
62 HG3 GLU 9 1HG GLU 9 -7.957 5.250 -3.071
63 H VAL 10 HN VAL 10 -9.659 1.610 -3.737
64 HA VAL 10 HA VAL 10 -9.466 1.000 -6.540
65 HB VAL 10 HB VAL 10 -11.860 1.217 -4.775
66 HG11 VAL 10 1HG1 VAL 10 -11.802 -0.364 -7.302
67 HG12 VAL 10 2HG1 VAL 10 -11.982 1.385 -7.402
68 HG13 VAL 10 3HG1 VAL 10 -13.164 0.430 -6.513
69 HG21 VAL 10 3HG2 VAL 10 -10.738 -1.377 -5.708
70 HG22 VAL 10 1HG2 VAL 10 -11.743 -1.029 -4.302
71 HG23 VAL 10 2HG2 VAL 10 -10.045 -0.571 -4.301
72 H ASP 11 HN ASP 11 -10.657 3.485 -4.410
73 HA ASP 11 HA ASP 11 -10.663 5.360 -6.656
74 HB2 ASP 11 2HB ASP 11 -12.999 4.559 -6.235
75 HB3 ASP 11 1HB ASP 11 -12.894 5.258 -4.627
76 H GLU 12 HN GLU 12 -10.576 4.861 -3.153
77 HA GLU 12 HA GLU 12 -8.978 7.248 -2.856
78 HB2 GLU 12 2HB GLU 12 -11.752 7.105 -1.691
79 HB3 GLU 12 1HB GLU 12 -10.514 8.169 -1.043
80 HG2 GLU 12 2HG GLU 12 -11.508 8.218 -3.883
81 HG3 GLU 12 1HG GLU 12 -12.054 9.296 -2.599
82 H ILE 13 HN ILE 13 -8.065 7.522 -0.747
83 HA ILE 13 HA ILE 13 -8.163 5.095 0.932
84 HB ILE 13 HB ILE 13 -5.754 5.224 1.342
85 HG12 ILE 13 2HG1 ILE 13 -5.651 7.757 1.123
86 HG13 ILE 13 1HG1 ILE 13 -4.328 6.888 0.351
87 HG21 ILE 13 1HG2 ILE 13 -6.687 5.181 -1.480
88 HG22 ILE 13 2HG2 ILE 13 -6.039 3.872 -0.491
89 HG23 ILE 13 3HG2 ILE 13 -4.966 5.102 -1.143
90 HD11 ILE 13 3HD1 ILE 13 -4.778 7.961 -1.528
91 HD12 ILE 13 1HD1 ILE 13 -6.192 8.720 -0.793
92 HD13 ILE 13 2HD1 ILE 13 -6.346 7.148 -1.586
93 H VAL 14 HN VAL 14 -6.485 5.986 2.956
94 HA VAL 14 HA VAL 14 -7.317 8.628 3.813
95 HB VAL 14 HB VAL 14 -8.056 6.160 5.402
96 HG11 VAL 14 1HG1 VAL 14 -8.963 7.715 7.061
97 HG12 VAL 14 2HG1 VAL 14 -8.355 9.077 6.120
98 HG13 VAL 14 3HG1 VAL 14 -7.225 7.940 6.857
99 HG21 VAL 14 3HG2 VAL 14 -10.355 6.972 5.151
100 HG22 VAL 14 1HG2 VAL 14 -9.612 6.636 3.588
101 HG23 VAL 14 2HG2 VAL 14 -9.773 8.301 4.147
102 H GLU 15 HN GLU 15 -5.799 5.585 4.768
103 HA GLU 15 HA GLU 15 -3.718 7.082 6.201
104 HB2 GLU 15 2HB GLU 15 -4.353 4.122 6.161
105 HB3 GLU 15 1HB GLU 15 -3.062 4.860 7.099
106 HG2 GLU 15 2HG GLU 15 -4.692 6.132 8.375
107 HG3 GLU 15 1HG GLU 15 -5.999 5.444 7.412
108 H LYS 16 HN LYS 16 -1.530 6.881 5.636
109 HA LYS 16 HA LYS 16 -0.809 5.154 3.424
110 HB2 LYS 16 2HB LYS 16 0.140 7.082 2.105
111 HB3 LYS 16 1HB LYS 16 -1.615 7.002 2.160
112 HG2 LYS 16 2HG LYS 16 -1.649 8.728 3.881
113 HG3 LYS 16 1HG LYS 16 0.112 8.808 3.839
114 HD2 LYS 16 2HD LYS 16 0.032 9.511 1.502
115 HD3 LYS 16 1HD LYS 16 -1.730 9.409 1.526
116 HE2 LYS 16 2HE LYS 16 -0.054 11.233 3.248
117 HE3 LYS 16 1HE LYS 16 -0.928 11.717 1.795
118 HZ1 LYS 16 3HZ LYS 16 -2.157 10.630 4.272
119 HZ2 LYS 16 1HZ LYS 16 -2.998 11.098 2.879
120 HZ3 LYS 16 2HZ LYS 16 -2.168 12.254 3.796
121 H ARG 17 HN ARG 17 0.600 4.312 5.231
122 HA ARG 17 HA ARG 17 3.155 5.695 5.202
123 HE ARG 17 HE ARG 17 3.188 8.143 8.565
124 HB2 ARG 17 2HB ARG 17 2.128 6.812 7.065
125 HB3 ARG 17 1HB ARG 17 1.606 5.283 7.759
126 HG2 ARG 17 2HG ARG 17 3.992 4.671 8.066
127 HG3 ARG 17 1HG ARG 17 4.430 6.289 7.509
128 HD2 ARG 17 2HD ARG 17 2.681 5.670 9.886
129 HD3 ARG 17 1HD ARG 17 4.384 6.120 9.965
130 HH11 ARG 17 1HH1 ARG 17 2.716 6.680 11.689
131 HH12 ARG 17 2HH1 ARG 17 2.133 8.134 12.427
132 HH21 ARG 17 2HH2 ARG 17 1.965 10.060 11.196
133 HH22 ARG 17 1HH2 ARG 17 2.421 10.065 9.525
134 H GLY 18 HN GLY 18 4.014 3.794 4.184
135 HA2 GLY 18 2HA GLY 18 4.543 1.684 6.119
136 HA3 GLY 18 1HA GLY 18 3.620 1.205 4.721
137 H LYS 19 HN LYS 19 4.857 -0.021 3.588
138 HA LYS 19 HA LYS 19 7.573 0.849 2.917
139 HB2 LYS 19 2HB LYS 19 6.319 -1.848 3.318
140 HB3 LYS 19 1HB LYS 19 7.899 -1.658 2.558
141 HG2 LYS 19 2HG LYS 19 8.797 -0.658 4.544
142 HG3 LYS 19 1HG LYS 19 7.203 -0.659 5.306
143 HD2 LYS 19 2HD LYS 19 7.153 -3.068 5.263
144 HD3 LYS 19 1HD LYS 19 8.700 -3.111 4.415
145 HE2 LYS 19 2HE LYS 19 8.254 -1.946 7.163
146 HE3 LYS 19 1HE LYS 19 8.917 -3.547 6.846
147 HZ1 LYS 19 3HZ LYS 19 10.663 -1.937 7.269
148 HZ2 LYS 19 1HZ LYS 19 10.125 -0.977 5.983
149 HZ3 LYS 19 2HZ LYS 19 10.764 -2.515 5.682
150 H GLY 20 HN GLY 20 6.783 -1.797 1.059
151 HA2 GLY 20 2HA GLY 20 6.117 -0.122 -1.217
152 HA3 GLY 20 1HA GLY 20 6.664 -1.799 -1.266
153 H LYS 21 HN LYS 21 5.143 -2.871 0.624
154 HA LYS 21 HA LYS 21 2.355 -2.441 -0.158
155 HB2 LYS 21 2HB LYS 21 4.003 -4.883 -0.467
156 HB3 LYS 21 1HB LYS 21 2.350 -5.115 0.092
157 HG2 LYS 21 2HG LYS 21 1.446 -4.185 -1.866
158 HG3 LYS 21 1HG LYS 21 2.996 -3.490 -2.347
159 HD2 LYS 21 2HD LYS 21 2.570 -6.454 -2.087
160 HD3 LYS 21 1HD LYS 21 2.236 -5.582 -3.584
161 HE2 LYS 21 2HE LYS 21 4.885 -5.639 -2.143
162 HE3 LYS 21 1HE LYS 21 4.479 -6.594 -3.568
163 HZ1 LYS 21 3HZ LYS 21 4.096 -4.489 -4.763
164 HZ2 LYS 21 1HZ LYS 21 5.694 -4.654 -4.230
165 HZ3 LYS 21 2HZ LYS 21 4.629 -3.633 -3.403
166 H ASP 22 HN ASP 22 4.507 -2.557 2.375
167 HA ASP 22 HA ASP 22 2.856 -3.903 4.276
168 HB2 ASP 22 2HB ASP 22 5.395 -3.867 4.354
169 HB3 ASP 22 1HB ASP 22 5.255 -2.195 4.858
170 H VAL 23 HN VAL 23 2.431 -1.156 2.843
171 HA VAL 23 HA VAL 23 1.885 0.556 5.079
172 HB VAL 23 HB VAL 23 2.831 1.404 2.984
173 HG11 VAL 23 1HG1 VAL 23 0.563 1.471 1.321
174 HG12 VAL 23 2HG1 VAL 23 0.740 -0.190 1.868
175 HG13 VAL 23 3HG1 VAL 23 2.077 0.614 1.060
176 HG21 VAL 23 3HG2 VAL 23 1.558 3.373 2.912
177 HG22 VAL 23 1HG2 VAL 23 1.301 2.728 4.529
178 HG23 VAL 23 2HG2 VAL 23 0.060 2.522 3.297
179 H GLU 24 HN GLU 24 -0.142 1.181 5.744
180 HA GLU 24 HA GLU 24 -2.302 -0.557 4.784
181 HB2 GLU 24 2HB GLU 24 -3.413 0.296 6.981
182 HB3 GLU 24 1HB GLU 24 -2.239 -1.007 7.024
183 HG2 GLU 24 2HG GLU 24 -0.493 0.632 7.628
184 HG3 GLU 24 1HG GLU 24 -1.727 1.892 7.659
185 H TYR 25 HN TYR 25 -3.172 0.592 3.162
186 HA TYR 25 HA TYR 25 -3.890 3.369 3.546
187 HD1 TYR 25 HD1 TYR 25 -3.882 5.009 0.529
188 HD2 TYR 25 HD2 TYR 25 -1.232 1.968 1.835
189 HE1 TYR 25 HE1 TYR 25 -1.980 6.422 -0.104
190 HE2 TYR 25 HE2 TYR 25 0.682 3.371 1.207
191 HH TYR 25 HH TYR 25 0.296 6.693 0.218
192 HB2 TYR 25 2HB TYR 25 -3.661 1.523 1.215
193 HB3 TYR 25 1HB TYR 25 -4.736 2.902 1.073
194 H LEU 26 HN LEU 26 -6.131 3.604 2.084
195 HA LEU 26 HA LEU 26 -8.124 1.797 3.246
196 HG LEU 26 HG LEU 26 -10.486 3.007 3.092
197 HB2 LEU 26 2HB LEU 26 -8.374 3.813 4.482
198 HB3 LEU 26 1HB LEU 26 -8.126 4.797 3.057
199 HD11 LEU 26 1HD1 LEU 26 -11.313 5.492 4.132
200 HD12 LEU 26 2HD1 LEU 26 -10.012 4.885 5.158
201 HD13 LEU 26 3HD1 LEU 26 -11.443 3.894 4.870
202 HD21 LEU 26 3HD2 LEU 26 -9.818 5.665 1.911
203 HD22 LEU 26 1HD2 LEU 26 -11.471 5.072 1.985
204 HD23 LEU 26 2HD2 LEU 26 -10.253 4.174 1.086
205 H VAL 27 HN VAL 27 -10.122 1.640 1.871
206 HA VAL 27 HA VAL 27 -9.677 2.729 -0.781
207 HB VAL 27 HB VAL 27 -9.476 0.902 -1.934
208 HG11 VAL 27 1HG1 VAL 27 -8.706 -0.186 0.755
209 HG12 VAL 27 2HG1 VAL 27 -7.676 0.685 -0.380
210 HG13 VAL 27 3HG1 VAL 27 -8.273 -0.923 -0.786
211 HG21 VAL 27 3HG2 VAL 27 -10.456 -1.380 -1.255
212 HG22 VAL 27 1HG2 VAL 27 -11.573 -0.118 -1.778
213 HG23 VAL 27 2HG2 VAL 27 -11.376 -0.463 -0.065
214 H ARG 28 HN ARG 28 -11.318 3.900 -1.256
215 HA ARG 28 HA ARG 28 -14.000 3.127 -0.421
216 HE ARG 28 HE ARG 28 -13.749 7.060 0.570
217 HB2 ARG 28 2HB ARG 28 -12.984 5.576 -0.558
218 HB3 ARG 28 1HB ARG 28 -13.443 5.415 -2.248
219 HG2 ARG 28 2HG ARG 28 -15.745 5.047 -1.642
220 HG3 ARG 28 1HG ARG 28 -15.326 5.076 0.072
221 HD2 ARG 28 2HD ARG 28 -15.021 7.367 -1.866
222 HD3 ARG 28 1HD ARG 28 -16.291 7.202 -0.655
223 HH11 ARG 28 1HH1 ARG 28 -15.948 9.314 -0.911
224 HH12 ARG 28 2HH1 ARG 28 -15.373 10.673 -0.005
225 HH21 ARG 28 2HH2 ARG 28 -13.683 10.404 1.521
226 HH22 ARG 28 1HH2 ARG 28 -12.980 8.841 1.772
227 H TRP 29 HN TRP 29 -13.869 1.198 -1.587
228 HA TRP 29 HA TRP 29 -13.355 0.440 -4.031
229 HD1 TRP 29 HD1 TRP 29 -13.350 -1.049 -5.332
230 HE1 TRP 29 HE1 TRP 29 -13.742 -3.391 -6.320
231 HE3 TRP 29 HE3 TRP 29 -17.243 -2.541 -2.371
232 HZ2 TRP 29 HZ2 TRP 29 -15.470 -5.582 -5.901
233 HZ3 TRP 29 HZ3 TRP 29 -18.207 -4.777 -2.730
234 HH2 TRP 29 HH2 TRP 29 -17.338 -6.264 -4.461
235 HB2 TRP 29 2HB TRP 29 -14.857 -0.606 -2.156
236 HB3 TRP 29 1HB TRP 29 -16.173 -0.051 -3.179
237 H LYS 30 HN LYS 30 -13.241 2.194 -5.433
238 HA LYS 30 HA LYS 30 -14.853 4.016 -6.414
239 HB2 LYS 30 2HB LYS 30 -12.839 3.266 -7.622
240 HB3 LYS 30 1HB LYS 30 -13.723 1.874 -8.226
241 HG2 LYS 30 2HG LYS 30 -15.307 3.473 -9.328
242 HG3 LYS 30 1HG LYS 30 -14.196 4.769 -8.881
243 HD2 LYS 30 2HD LYS 30 -13.518 2.375 -10.590
244 HD3 LYS 30 1HD LYS 30 -13.822 4.011 -11.180
245 HE2 LYS 30 2HE LYS 30 -11.911 4.802 -9.808
246 HE3 LYS 30 1HE LYS 30 -11.580 3.127 -9.372
247 HZ1 LYS 30 3HZ LYS 30 -10.184 3.870 -11.200
248 HZ2 LYS 30 1HZ LYS 30 -11.552 4.222 -12.131
249 HZ3 LYS 30 2HZ LYS 30 -11.210 2.623 -11.699
250 H ASP 31 HN ASP 31 -15.599 0.591 -6.805
251 HA ASP 31 HA ASP 31 -18.282 1.339 -7.776
252 HB2 ASP 31 2HB ASP 31 -16.981 0.060 -9.442
253 HB3 ASP 31 1HB ASP 31 -16.765 -1.236 -8.269
254 H GLY 32 HN GLY 32 -18.138 1.562 -5.200
255 HA2 GLY 32 2HA GLY 32 -19.554 -0.778 -4.168
256 HA3 GLY 32 1HA GLY 32 -18.100 -0.273 -3.312
257 H GLY 33 HN GLY 33 -19.633 -0.070 -1.506
258 HA2 GLY 33 2HA GLY 33 -20.574 2.687 -1.357
259 HA3 GLY 33 1HA GLY 33 -21.782 1.435 -1.110
260 H ASP 34 HN ASP 34 -18.419 1.258 -0.081
261 HA ASP 34 HA ASP 34 -19.177 1.774 2.686
262 HB2 ASP 34 2HB ASP 34 -17.808 -0.799 1.877
263 HB3 ASP 34 1HB ASP 34 -18.273 -0.319 3.507
264 H CYS 35 HN CYS 35 -16.901 0.983 3.963
265 HA CYS 35 HA CYS 35 -14.634 2.140 2.534
266 HG CYS 35 HG CYS 35 -16.253 2.012 6.105
267 HB2 CYS 35 2HB CYS 35 -14.121 3.673 4.400
268 HB3 CYS 35 1HB CYS 35 -15.653 4.064 3.626
269 H GLU 36 HN GLU 36 -13.101 0.652 2.718
270 HA GLU 36 HA GLU 36 -12.736 -0.676 5.325
271 HB2 GLU 36 2HB GLU 36 -12.239 -1.828 2.575
272 HB3 GLU 36 1HB GLU 36 -11.895 -2.642 4.094
273 HG2 GLU 36 2HG GLU 36 -14.621 -1.783 3.155
274 HG3 GLU 36 1HG GLU 36 -13.974 -3.420 3.069
275 H TRP 37 HN TRP 37 -10.406 -1.703 5.370
276 HA TRP 37 HA TRP 37 -8.529 0.386 4.487
277 HD1 TRP 37 HD1 TRP 37 -8.859 2.195 5.440
278 HE1 TRP 37 HE1 TRP 37 -9.683 3.843 7.237
279 HE3 TRP 37 HE3 TRP 37 -8.634 -0.877 9.520
280 HZ2 TRP 37 HZ2 TRP 37 -10.171 3.841 10.015
281 HZ3 TRP 37 HZ3 TRP 37 -9.297 0.026 11.711
282 HH2 TRP 37 HH2 TRP 37 -10.049 2.335 11.952
283 HB2 TRP 37 2HB TRP 37 -8.594 -1.283 6.992
284 HB3 TRP 37 1HB TRP 37 -7.149 -0.427 6.471
285 H VAL 38 HN VAL 38 -6.449 -0.223 3.840
286 HA VAL 38 HA VAL 38 -6.322 -2.844 2.598
287 HB VAL 38 HB VAL 38 -4.390 -0.538 2.476
288 HG11 VAL 38 1HG1 VAL 38 -3.357 -1.664 0.619
289 HG12 VAL 38 2HG1 VAL 38 -4.512 -2.989 0.744
290 HG13 VAL 38 3HG1 VAL 38 -3.339 -2.714 2.032
291 HG21 VAL 38 3HG2 VAL 38 -5.358 0.120 0.462
292 HG22 VAL 38 1HG2 VAL 38 -6.725 -0.213 1.524
293 HG23 VAL 38 2HG2 VAL 38 -6.247 -1.389 0.302
294 H LYS 39 HN LYS 39 -4.551 -4.277 2.870
295 HA LYS 39 HA LYS 39 -3.784 -4.546 5.589
296 HB2 LYS 39 2HB LYS 39 -4.284 -6.448 4.031
297 HB3 LYS 39 1HB LYS 39 -2.755 -6.116 3.231
298 HG2 LYS 39 2HG LYS 39 -2.392 -7.918 4.719
299 HG3 LYS 39 1HG LYS 39 -1.623 -6.499 5.433
300 HD2 LYS 39 2HD LYS 39 -3.439 -6.210 6.969
301 HD3 LYS 39 1HD LYS 39 -4.387 -7.460 6.162
302 HE2 LYS 39 2HE LYS 39 -1.770 -7.897 7.599
303 HE3 LYS 39 1HE LYS 39 -3.367 -8.269 8.247
304 HZ1 LYS 39 3HZ LYS 39 -3.684 -9.847 6.438
305 HZ2 LYS 39 1HZ LYS 39 -2.310 -10.238 7.344
306 HZ3 LYS 39 2HZ LYS 39 -2.144 -9.496 5.833
307 H GLY 40 HN GLY 40 -2.474 -2.963 6.285
308 HA2 GLY 40 2HA GLY 40 -0.016 -2.426 4.824
309 HA3 GLY 40 1HA GLY 40 -0.610 -1.511 6.196
310 H VAL 41 HN VAL 41 -0.165 -4.989 5.919
311 HA VAL 41 HA VAL 41 1.988 -4.811 7.925
312 HB VAL 41 HB VAL 41 0.503 -7.356 7.645
313 HG11 VAL 41 1HG1 VAL 41 0.941 -7.485 10.048
314 HG12 VAL 41 2HG1 VAL 41 1.617 -5.857 10.009
315 HG13 VAL 41 3HG1 VAL 41 2.412 -7.163 9.131
316 HG21 VAL 41 3HG2 VAL 41 -0.652 -4.993 9.133
317 HG22 VAL 41 1HG2 VAL 41 -1.236 -6.653 9.246
318 HG23 VAL 41 2HG2 VAL 41 -1.353 -5.780 7.719
319 H HIS 42 HN HIS 42 1.499 -5.252 4.759
320 HA HIS 42 HA HIS 42 2.988 -7.673 4.399
321 HD1 HIS 42 HD1 HIS 42 -0.602 -6.625 2.185
322 HD2 HIS 42 HD2 HIS 42 2.109 -9.663 3.017
323 HE1 HIS 42 HE1 HIS 42 -1.950 -8.748 2.186
324 HE2 HIS 42 HE2 HIS 42 -0.278 -10.580 2.630
325 HB2 HIS 42 2HB HIS 42 1.654 -5.751 2.569
326 HB3 HIS 42 1HB HIS 42 2.867 -6.848 1.917
327 H VAL 43 HN VAL 43 4.696 -7.192 5.562
328 HA VAL 43 HA VAL 43 6.501 -5.124 5.229
329 HB VAL 43 HB VAL 43 7.139 -7.969 5.987
330 HG11 VAL 43 1HG1 VAL 43 8.626 -5.417 6.576
331 HG12 VAL 43 2HG1 VAL 43 9.136 -6.666 5.447
332 HG13 VAL 43 3HG1 VAL 43 9.049 -7.019 7.171
333 HG21 VAL 43 3HG2 VAL 43 5.368 -7.062 7.378
334 HG22 VAL 43 1HG2 VAL 43 6.333 -5.623 7.702
335 HG23 VAL 43 2HG2 VAL 43 6.863 -7.193 8.301
336 H ALA 44 HN ALA 44 6.358 -4.885 2.880
337 HA ALA 44 HA ALA 44 8.048 -6.699 1.367
338 HB1 ALA 44 3HB ALA 44 6.639 -4.203 0.421
339 HB2 ALA 44 1HB ALA 44 5.935 -5.819 0.387
340 HB3 ALA 44 2HB ALA 44 7.363 -5.460 -0.580
341 H GLU 45 HN GLU 45 9.509 -5.701 3.285
342 HA GLU 45 HA GLU 45 10.724 -3.246 3.119
343 HB2 GLU 45 2HB GLU 45 11.226 -4.795 4.917
344 HB3 GLU 45 1HB GLU 45 11.971 -5.919 3.790
345 HG2 GLU 45 2HG GLU 45 13.733 -4.294 3.330
346 HG3 GLU 45 1HG GLU 45 12.985 -3.164 4.456
347 H ASP 46 HN ASP 46 11.018 -5.980 1.031
348 HA ASP 46 HA ASP 46 13.403 -5.171 -0.317
349 HB2 ASP 46 2HB ASP 46 11.148 -6.952 -1.262
350 HB3 ASP 46 1HB ASP 46 12.723 -6.802 -2.035
351 H VAL 47 HN VAL 47 9.937 -4.818 -1.015
352 HA VAL 47 HA VAL 47 10.248 -3.440 -3.452
353 HB VAL 47 HB VAL 47 7.990 -3.208 -1.447
354 HG11 VAL 47 1HG1 VAL 47 8.048 -1.389 -3.113
355 HG12 VAL 47 2HG1 VAL 47 6.646 -2.440 -3.309
356 HG13 VAL 47 3HG1 VAL 47 8.022 -2.593 -4.400
357 HG21 VAL 47 3HG2 VAL 47 6.883 -4.927 -2.723
358 HG22 VAL 47 1HG2 VAL 47 8.458 -5.520 -2.202
359 HG23 VAL 47 2HG2 VAL 47 8.222 -4.993 -3.869
360 H ALA 48 HN ALA 48 9.879 -2.344 -0.183
361 HA ALA 48 HA ALA 48 9.949 0.434 -0.529
362 HB1 ALA 48 3HB ALA 48 8.975 -0.493 1.438
363 HB2 ALA 48 1HB ALA 48 10.375 0.470 1.910
364 HB3 ALA 48 2HB ALA 48 10.489 -1.290 1.869
365 H LYS 49 HN LYS 49 12.410 -1.796 0.792
366 HA LYS 49 HA LYS 49 14.472 0.091 0.963
367 HB2 LYS 49 2HB LYS 49 14.451 -2.191 2.019
368 HB3 LYS 49 1HB LYS 49 14.792 -2.869 0.435
369 HG2 LYS 49 2HG LYS 49 16.602 -0.768 1.518
370 HG3 LYS 49 1HG LYS 49 16.710 -2.408 2.159
371 HD2 LYS 49 2HD LYS 49 16.903 -1.683 -0.765
372 HD3 LYS 49 1HD LYS 49 18.282 -1.980 0.292
373 HE2 LYS 49 2HE LYS 49 17.374 -4.255 0.733
374 HE3 LYS 49 1HE LYS 49 16.119 -3.941 -0.465
375 HZ1 LYS 49 3HZ LYS 49 19.042 -3.946 -0.993
376 HZ2 LYS 49 1HZ LYS 49 17.832 -3.657 -2.140
377 HZ3 LYS 49 2HZ LYS 49 17.962 -5.179 -1.414
378 H ASP 50 HN ASP 50 13.260 -1.816 -1.666
379 HA ASP 50 HA ASP 50 15.415 -0.992 -3.439
380 HB2 ASP 50 2HB ASP 50 14.344 -3.347 -3.385
381 HB3 ASP 50 1HB ASP 50 13.000 -2.597 -4.246
382 H TYR 51 HN TYR 51 12.292 0.022 -2.494
383 HA TYR 51 HA TYR 51 11.566 1.257 -4.925
384 HD1 TYR 51 HD1 TYR 51 10.538 -0.252 -5.338
385 HD2 TYR 51 HD2 TYR 51 7.621 1.704 -2.928
386 HE1 TYR 51 HE1 TYR 51 8.755 -1.343 -6.620
387 HE2 TYR 51 HE2 TYR 51 5.832 0.612 -4.208
388 HH TYR 51 HH TYR 51 6.427 -1.959 -6.379
389 HB2 TYR 51 2HB TYR 51 10.382 1.029 -2.298
390 HB3 TYR 51 1HB TYR 51 10.019 2.534 -3.103
391 H GLU 52 HN GLU 52 12.192 2.588 -1.724
392 HA GLU 52 HA GLU 52 12.843 5.173 -2.851
393 HB2 GLU 52 2HB GLU 52 12.811 5.997 -0.592
394 HB3 GLU 52 1HB GLU 52 11.407 4.967 -0.832
395 HG2 GLU 52 2HG GLU 52 12.566 3.134 0.300
396 HG3 GLU 52 1HG GLU 52 13.961 4.181 0.554
397 H ASP 53 HN ASP 53 14.397 2.681 -0.890
398 HA ASP 53 HA ASP 53 16.936 4.049 -0.912
399 HB2 ASP 53 2HB ASP 53 15.862 1.530 0.286
400 HB3 ASP 53 1HB ASP 53 17.610 1.730 0.147
401 H GLY 54 HN GLY 54 15.315 1.768 -2.905
402 HA2 GLY 54 2HA GLY 54 17.669 0.530 -3.986
403 HA3 GLY 54 1HA GLY 54 16.039 0.409 -4.629
404 H LEU 55 HN LEU 55 15.654 3.271 -4.864
405 HA LEU 55 HA LEU 55 16.935 3.635 -7.418
406 HG LEU 55 HG LEU 55 16.360 6.591 -7.774
407 HB2 LEU 55 2HB LEU 55 14.578 4.280 -7.000
408 HB3 LEU 55 1HB LEU 55 15.135 5.508 -5.880
409 HD11 LEU 55 1HD1 LEU 55 16.572 4.661 -9.231
410 HD12 LEU 55 2HD1 LEU 55 15.722 5.967 -10.055
411 HD13 LEU 55 3HD1 LEU 55 14.819 4.591 -9.420
412 HD21 LEU 55 3HD2 LEU 55 14.203 7.431 -7.045
413 HD22 LEU 55 1HD2 LEU 55 13.378 6.265 -8.080
414 HD23 LEU 55 2HD2 LEU 55 14.346 7.552 -8.799
415 H GLU 56 HN GLU 56 16.630 5.905 -4.687
416 HA GLU 56 HA GLU 56 19.178 7.096 -5.413
417 HB2 GLU 56 2HB GLU 56 17.151 7.882 -3.334
418 HB3 GLU 56 1HB GLU 56 18.603 8.793 -3.708
419 HG2 GLU 56 2HG GLU 56 17.775 9.079 -6.019
420 HG3 GLU 56 1HG GLU 56 16.286 8.260 -5.550
421 H TYR 57 HN TYR 57 20.082 4.869 -4.727
422 HA TYR 57 HA TYR 57 20.388 4.493 -1.882
423 HD1 TYR 57 HD1 TYR 57 20.139 1.401 -1.386
424 HD2 TYR 57 HD2 TYR 57 23.857 2.879 -2.831
425 HE1 TYR 57 HE1 TYR 57 21.321 0.054 0.298
426 HE2 TYR 57 HE2 TYR 57 25.050 1.535 -1.152
427 HH TYR 57 HH TYR 57 23.544 -0.923 0.644
428 HB2 TYR 57 2HB TYR 57 20.239 2.577 -3.464
429 HB3 TYR 57 1HB TYR 57 21.779 3.070 -4.160
430 HA ALA 1 HA ALA 1 -12.769 -11.081 2.177
431 H1 ALA 1 1H ALA 1 -14.774 -12.274 1.616
432 H2 ALA 1 2H ALA 1 -15.527 -10.841 1.128
433 H3 ALA 1 3H ALA 1 -15.101 -11.061 2.751
434 HB1 ALA 1 3HB ALA 1 -13.007 -12.013 -0.064
435 HB2 ALA 1 1HB ALA 1 -12.061 -10.526 -0.090
436 HB3 ALA 1 2HB ALA 1 -13.743 -10.510 -0.617
437 HA PRO 2 HA PRO 2 -13.905 -6.894 3.580
438 HB2 PRO 2 1HB PRO 2 -12.141 -6.346 4.981
439 HB3 PRO 2 2HB PRO 2 -10.927 -7.007 3.877
440 HG2 PRO 2 2HG PRO 2 -11.058 -8.725 5.451
441 HG3 PRO 2 1HG PRO 2 -12.784 -8.442 5.744
442 HD2 PRO 2 2HD PRO 2 -11.456 -9.959 3.557
443 HD3 PRO 2 1HD PRO 2 -13.046 -10.212 4.307
444 HA PRO 3 HA PRO 3 -12.716 -5.317 -0.535
445 HB2 PRO 3 1HB PRO 3 -14.946 -5.038 -1.010
446 HB3 PRO 3 2HB PRO 3 -14.595 -3.356 -0.594
447 HG2 PRO 3 2HG PRO 3 -15.448 -3.576 1.553
448 HG3 PRO 3 1HG PRO 3 -16.502 -4.708 0.685
449 HD2 PRO 3 2HD PRO 3 -15.037 -5.441 2.840
450 HD3 PRO 3 1HD PRO 3 -15.406 -6.559 1.512
451 H GLY 4 HN GLY 4 -10.820 -4.692 1.040
452 HA2 GLY 4 2HA GLY 4 -10.782 -1.745 1.181
453 HA3 GLY 4 1HA GLY 4 -10.118 -2.728 2.471
454 H THR 5 HN THR 5 -9.819 -3.322 -0.996
455 HA THR 5 HA THR 5 -7.064 -2.445 -1.024
456 HB THR 5 HB THR 5 -6.091 -4.581 -1.639
457 HG1 THR 5 HG1 THR 5 -7.322 -6.434 -1.728
458 HG21 THR 5 3HG2 THR 5 -6.186 -3.981 0.753
459 HG22 THR 5 1HG2 THR 5 -6.234 -5.726 0.501
460 HG23 THR 5 2HG2 THR 5 -7.714 -4.850 0.894
461 H ALA 6 HN ALA 6 -6.126 -2.342 -3.136
462 HA ALA 6 HA ALA 6 -7.693 -3.232 -5.394
463 HB1 ALA 6 3HB ALA 6 -8.799 -1.383 -5.829
464 HB2 ALA 6 1HB ALA 6 -7.295 -0.467 -5.900
465 HB3 ALA 6 2HB ALA 6 -8.138 -0.659 -4.365
466 H ARG 7 HN ARG 7 -5.479 -0.461 -5.246
467 HA ARG 7 HA ARG 7 -4.115 -0.942 -7.533
468 HE ARG 7 HE ARG 7 -0.315 1.039 -8.820
469 HB2 ARG 7 2HB ARG 7 -3.864 1.069 -6.112
470 HB3 ARG 7 1HB ARG 7 -2.829 0.145 -5.044
471 HG2 ARG 7 2HG ARG 7 -1.493 1.499 -6.522
472 HG3 ARG 7 1HG ARG 7 -1.250 -0.212 -6.885
473 HD2 ARG 7 2HD ARG 7 -2.847 -0.027 -8.743
474 HD3 ARG 7 1HD ARG 7 -3.046 1.689 -8.390
475 HH11 ARG 7 1HH1 ARG 7 -3.329 1.591 -10.472
476 HH12 ARG 7 2HH1 ARG 7 -2.576 2.096 -11.949
477 HH21 ARG 7 2HH2 ARG 7 -0.291 2.158 -12.112
478 HH22 ARG 7 1HH2 ARG 7 0.688 1.702 -10.759
479 H ARG 8 HN ARG 8 -1.920 -1.414 -4.784
480 HA ARG 8 HA ARG 8 -1.023 -3.832 -6.166
481 HE ARG 8 HE ARG 8 1.555 -3.824 -7.165
482 HB2 ARG 8 2HB ARG 8 0.387 -2.276 -4.005
483 HB3 ARG 8 1HB ARG 8 1.072 -3.547 -5.007
484 HG2 ARG 8 2HG ARG 8 0.343 -0.743 -5.765
485 HG3 ARG 8 1HG ARG 8 1.882 -1.583 -5.954
486 HD2 ARG 8 2HD ARG 8 -0.664 -2.129 -7.477
487 HD3 ARG 8 1HD ARG 8 0.771 -1.315 -8.099
488 HH11 ARG 8 1HH1 ARG 8 -0.432 -2.452 -9.673
489 HH12 ARG 8 2HH1 ARG 8 -0.198 -3.778 -10.764
490 HH21 ARG 8 2HH2 ARG 8 1.109 -5.557 -10.146
491 HH22 ARG 8 1HH2 ARG 8 1.870 -5.576 -8.591
492 H LYS 9 HN LYS 9 -1.594 -5.721 -5.454
493 HA LYS 9 HA LYS 9 -1.650 -6.265 -2.583
494 HB2 LYS 9 2HB LYS 9 -3.975 -5.614 -3.263
495 HB3 LYS 9 1HB LYS 9 -3.990 -6.990 -4.357
496 HG2 LYS 9 2HG LYS 9 -5.148 -7.488 -2.277
497 HG3 LYS 9 1HG LYS 9 -3.724 -8.509 -2.479
498 HD2 LYS 9 2HD LYS 9 -2.481 -7.231 -0.902
499 HD3 LYS 9 1HD LYS 9 -3.714 -5.969 -0.861
500 HE2 LYS 9 2HE LYS 9 -3.791 -7.420 1.125
501 HE3 LYS 9 1HE LYS 9 -5.282 -7.487 0.185
502 HZ1 LYS 9 3HZ LYS 9 -3.099 -9.500 0.137
503 HZ2 LYS 9 1HZ LYS 9 -4.501 -9.561 -0.808
504 HZ3 LYS 9 2HZ LYS 9 -4.607 -9.687 0.875
505 H ARG 10 HN ARG 10 0.349 -7.134 -4.186
506 HA ARG 10 HA ARG 10 -0.331 -9.919 -4.857
507 HE ARG 10 HE ARG 10 3.853 -9.708 -6.846
508 HB2 ARG 10 2HB ARG 10 1.676 -9.903 -6.279
509 HB3 ARG 10 1HB ARG 10 0.534 -8.653 -6.753
510 HG2 ARG 10 2HG ARG 10 1.873 -6.972 -5.618
511 HG3 ARG 10 1HG ARG 10 3.004 -8.217 -5.086
512 HD2 ARG 10 2HD ARG 10 2.394 -7.556 -7.965
513 HD3 ARG 10 1HD ARG 10 3.789 -6.958 -7.069
514 HH11 ARG 10 1HH1 ARG 10 3.952 -7.355 -9.410
515 HH12 ARG 10 2HH1 ARG 10 4.931 -8.336 -10.450
516 HH21 ARG 10 2HH2 ARG 10 5.606 -10.415 -9.767
517 HH22 ARG 10 1HH2 ARG 10 5.142 -11.010 -8.208
518 H LYS 11 HN LYS 11 1.484 -7.897 -2.764
519 HA LYS 11 HA LYS 11 2.807 -8.323 -0.976
520 HB2 LYS 11 2HB LYS 11 1.891 -11.165 -1.435
521 HB3 LYS 11 1HB LYS 11 2.830 -10.639 -0.047
522 HG2 LYS 11 2HG LYS 11 0.649 -10.685 0.736
523 HG3 LYS 11 1HG LYS 11 0.929 -8.981 0.379
524 HD2 LYS 11 2HD LYS 11 -1.260 -9.668 -0.413
525 HD3 LYS 11 1HD LYS 11 -0.224 -9.261 -1.777
526 HE2 LYS 11 2HE LYS 11 0.177 -11.591 -2.230
527 HE3 LYS 11 1HE LYS 11 -0.691 -12.063 -0.770
528 HZ1 LYS 11 3HZ LYS 11 -2.057 -12.341 -2.740
529 HZ2 LYS 11 1HZ LYS 11 -1.881 -10.703 -3.128
530 HZ3 LYS 11 2HZ LYS 11 -2.717 -11.157 -1.730
531 H ALA 12 HN ALA 12 4.754 -7.736 -1.849
532 HA ALA 12 HA ALA 12 6.273 -9.472 -3.546
533 HB1 ALA 12 3HB ALA 12 6.440 -6.999 -3.616
534 HB2 ALA 12 1HB ALA 12 8.000 -7.796 -3.410
535 HB3 ALA 12 2HB ALA 12 7.208 -7.039 -2.027
536 H ASP 13 HN ASP 13 5.972 -8.960 -0.140
537 HA ASP 13 HA ASP 13 8.278 -10.715 0.361
538 HB2 ASP 13 2HB ASP 13 8.533 -8.573 1.444
539 HB3 ASP 13 1HB ASP 13 6.919 -8.677 2.143
540 H SER 14 HN SER 14 4.864 -10.205 0.961
541 HA SER 14 HA SER 14 3.224 -11.552 1.778
542 HG SER 14 HG SER 14 3.753 -14.780 2.238
543 HB2 SER 14 2HB SER 14 3.950 -13.085 0.025
544 HB3 SER 14 1HB SER 14 5.218 -13.720 1.071
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 8.058 4.916 -7.331
2 H2 GLY 1 2H GLY 1 8.345 3.597 -6.311
3 H3 GLY 1 3H GLY 1 7.995 3.340 -7.945
4 HA2 GLY 1 1HA GLY 1 10.368 3.055 -7.465
5 HA3 GLY 1 2HA GLY 1 10.043 4.326 -8.632
6 H SER 2 HN SER 2 9.523 4.604 -5.156
7 HA SER 2 HA SER 2 11.832 5.643 -4.189
8 HG SER 2 HG SER 2 10.481 8.527 -6.639
9 HB2 SER 2 2HB SER 2 11.475 8.165 -4.461
10 HB3 SER 2 1HB SER 2 12.110 7.289 -5.850
11 H GLN 3 HN GLN 3 8.396 5.703 -4.212
12 HA GLN 3 HA GLN 3 8.209 7.153 -1.729
13 HB2 GLN 3 2HB GLN 3 6.209 5.863 -3.527
14 HB3 GLN 3 1HB GLN 3 5.755 6.470 -1.948
15 HG2 GLN 3 2HG GLN 3 5.251 8.090 -3.676
16 HG3 GLN 3 1HG GLN 3 6.499 8.702 -2.591
17 HE21 GLN 3 2HE2 GLN 3 8.144 9.670 -5.513
18 HE22 GLN 3 1HE2 GLN 3 7.225 10.168 -4.137
19 H VAL 4 HN VAL 4 7.703 6.312 0.243
20 HA VAL 4 HA VAL 4 8.337 3.504 0.586
21 HB VAL 4 HB VAL 4 9.396 5.251 2.019
22 HG11 VAL 4 1HG1 VAL 4 6.789 5.437 3.492
23 HG12 VAL 4 2HG1 VAL 4 7.216 6.574 2.216
24 HG13 VAL 4 3HG1 VAL 4 8.228 6.442 3.653
25 HG21 VAL 4 3HG2 VAL 4 8.433 3.925 4.218
26 HG22 VAL 4 1HG2 VAL 4 9.730 3.364 3.163
27 HG23 VAL 4 2HG2 VAL 4 8.080 2.810 2.898
28 H PHE 5 HN PHE 5 5.980 3.693 -0.695
29 HA PHE 5 HA PHE 5 4.253 2.220 0.949
30 1HB PHE 5 2HB PHE 5 2.370 4.027 0.887
31 2HB PHE 5 1HB PHE 5 3.591 4.090 2.149
32 HD1 PHE 5 HD1 PHE 5 3.298 4.584 2.514
33 HD2 PHE 5 HD2 PHE 5 4.485 6.668 -1.000
34 HE1 PHE 5 HE1 PHE 5 5.509 4.993 3.511
35 HE2 PHE 5 HE2 PHE 5 6.699 7.082 -0.011
36 HZ PHE 5 HZ PHE 5 4.573 9.231 -0.315
37 H GLU 6 HN GLU 6 1.963 2.138 -0.104
38 HA GLU 6 HA GLU 6 1.870 2.611 -2.945
39 HB2 GLU 6 2HB GLU 6 3.063 0.505 -2.952
40 HB3 GLU 6 1HB GLU 6 1.926 -0.202 -1.807
41 HG2 GLU 6 2HG GLU 6 1.385 -1.062 -3.942
42 HG3 GLU 6 1HG GLU 6 0.141 0.121 -3.543
43 H TYR 7 HN TYR 7 -0.242 3.069 -3.488
44 HA TYR 7 HA TYR 7 -2.204 2.775 -1.398
45 HD1 TYR 7 HD1 TYR 7 -4.350 3.529 -4.977
46 HD2 TYR 7 HD2 TYR 7 -0.385 4.962 -4.409
47 HE1 TYR 7 HE1 TYR 7 -4.084 3.740 -7.412
48 HE2 TYR 7 HE2 TYR 7 -0.108 5.177 -6.844
49 HH TYR 7 HH TYR 7 -1.066 4.254 -8.895
50 HB2 TYR 7 2HB TYR 7 -3.600 4.210 -2.799
51 HB3 TYR 7 1HB TYR 7 -2.007 4.909 -2.559
52 H ALA 8 HN ALA 8 -3.242 0.925 -1.208
53 HA ALA 8 HA ALA 8 -3.925 -0.633 -3.587
54 HB1 ALA 8 3HB ALA 8 -4.844 -1.578 -0.952
55 HB2 ALA 8 1HB ALA 8 -3.096 -1.431 -1.130
56 HB3 ALA 8 2HB ALA 8 -4.014 -2.446 -2.239
57 H GLU 9 HN GLU 9 -5.204 1.679 -3.705
58 HA GLU 9 HA GLU 9 -7.897 1.286 -2.655
59 HB2 GLU 9 2HB GLU 9 -7.479 3.303 -1.837
60 HB3 GLU 9 1HB GLU 9 -6.092 3.533 -2.882
61 HG2 GLU 9 2HG GLU 9 -8.933 3.975 -3.713
62 HG3 GLU 9 1HG GLU 9 -7.867 5.227 -3.103
63 H VAL 10 HN VAL 10 -9.660 1.631 -3.779
64 HA VAL 10 HA VAL 10 -9.461 1.012 -6.574
65 HB VAL 10 HB VAL 10 -11.849 1.234 -4.811
66 HG11 VAL 10 1HG1 VAL 10 -13.174 0.583 -6.556
67 HG12 VAL 10 2HG1 VAL 10 -11.888 -0.359 -7.307
68 HG13 VAL 10 3HG1 VAL 10 -11.914 1.395 -7.482
69 HG21 VAL 10 3HG2 VAL 10 -10.145 -0.532 -4.238
70 HG22 VAL 10 1HG2 VAL 10 -10.545 -1.287 -5.780
71 HG23 VAL 10 2HG2 VAL 10 -11.781 -1.109 -4.535
72 H ASP 11 HN ASP 11 -10.587 3.532 -4.467
73 HA ASP 11 HA ASP 11 -10.574 5.388 -6.726
74 1HB ASP 11 1HB ASP 11 -12.792 5.334 -4.679
75 2HB ASP 11 2HB ASP 11 -12.921 4.635 -6.286
76 H GLU 12 HN GLU 12 -10.517 4.916 -3.216
77 HA GLU 12 HA GLU 12 -8.817 7.226 -2.924
78 HB2 GLU 12 2HB GLU 12 -11.591 7.227 -1.736
79 HB3 GLU 12 1HB GLU 12 -10.308 8.300 -1.199
80 HG2 GLU 12 2HG GLU 12 -10.181 9.295 -3.409
81 HG3 GLU 12 1HG GLU 12 -11.420 8.185 -3.994
82 H ILE 13 HN ILE 13 -7.954 7.500 -0.783
83 HA ILE 13 HA ILE 13 -8.204 5.107 0.922
84 HB ILE 13 HB ILE 13 -5.828 5.024 1.324
85 HG12 ILE 13 2HG1 ILE 13 -5.499 7.532 1.315
86 HG13 ILE 13 1HG1 ILE 13 -4.252 6.653 0.440
87 HG21 ILE 13 1HG2 ILE 13 -6.040 3.821 -0.586
88 HG22 ILE 13 2HG2 ILE 13 -5.016 5.109 -1.218
89 HG23 ILE 13 3HG2 ILE 13 -6.756 5.162 -1.478
90 HD11 ILE 13 3HD1 ILE 13 -4.650 8.235 -1.109
91 HD12 ILE 13 1HD1 ILE 13 -6.297 8.523 -0.547
92 HD13 ILE 13 2HD1 ILE 13 -5.949 7.134 -1.575
93 H VAL 14 HN VAL 14 -6.506 5.948 2.964
94 HA VAL 14 HA VAL 14 -7.294 8.620 3.783
95 HB VAL 14 HB VAL 14 -8.085 6.200 5.414
96 HG11 VAL 14 1HG1 VAL 14 -8.414 9.140 6.012
97 HG12 VAL 14 2HG1 VAL 14 -7.298 8.037 6.819
98 HG13 VAL 14 3HG1 VAL 14 -9.038 7.810 6.989
99 HG21 VAL 14 3HG2 VAL 14 -9.768 8.275 4.013
100 HG22 VAL 14 1HG2 VAL 14 -10.382 7.009 5.078
101 HG23 VAL 14 2HG2 VAL 14 -9.601 6.581 3.556
102 H GLU 15 HN GLU 15 -6.018 5.592 5.106
103 HA GLU 15 HA GLU 15 -3.832 7.091 6.371
104 HB2 GLU 15 2HB GLU 15 -3.348 4.833 7.450
105 HB3 GLU 15 1HB GLU 15 -4.856 5.609 7.913
106 HG2 GLU 15 2HG GLU 15 -6.087 4.167 6.395
107 HG3 GLU 15 1HG GLU 15 -4.582 3.412 5.872
108 H LYS 16 HN LYS 16 -1.734 6.929 5.648
109 HA LYS 16 HA LYS 16 -1.039 4.780 3.805
110 HB2 LYS 16 2HB LYS 16 -0.202 6.423 2.106
111 HB3 LYS 16 1HB LYS 16 -1.952 6.375 2.283
112 HG2 LYS 16 2HG LYS 16 -1.731 8.366 3.811
113 HG3 LYS 16 1HG LYS 16 -0.051 8.471 3.281
114 HD2 LYS 16 2HD LYS 16 -0.827 8.653 0.949
115 HD3 LYS 16 1HD LYS 16 -2.497 8.622 1.522
116 HE2 LYS 16 2HE LYS 16 -2.026 10.652 2.861
117 HE3 LYS 16 1HE LYS 16 -0.409 10.703 2.161
118 HZ1 LYS 16 3HZ LYS 16 -1.436 10.913 -0.038
119 HZ2 LYS 16 1HZ LYS 16 -1.874 12.188 0.984
120 HZ3 LYS 16 2HZ LYS 16 -2.970 10.937 0.674
121 H ARG 17 HN ARG 17 0.553 4.149 5.374
122 HA ARG 17 HA ARG 17 3.016 5.656 5.190
123 HE ARG 17 HE ARG 17 3.550 8.414 7.538
124 HB2 ARG 17 2HB ARG 17 1.942 6.749 7.094
125 HB3 ARG 17 1HB ARG 17 1.707 5.193 7.876
126 HG2 ARG 17 2HG ARG 17 3.589 6.370 8.848
127 HG3 ARG 17 1HG ARG 17 4.126 4.900 8.034
128 HD2 ARG 17 2HD ARG 17 5.657 6.666 7.499
129 HD3 ARG 17 1HD ARG 17 4.721 6.281 6.056
130 HH11 ARG 17 1HH1 ARG 17 6.095 7.635 5.291
131 HH12 ARG 17 2HH1 ARG 17 6.185 9.237 4.637
132 HH21 ARG 17 2HH2 ARG 17 4.804 10.882 5.429
133 HH22 ARG 17 1HH2 ARG 17 3.663 10.529 6.684
134 H GLY 18 HN GLY 18 3.953 3.791 4.216
135 HA2 GLY 18 2HA GLY 18 4.542 1.701 6.161
136 HA3 GLY 18 1HA GLY 18 3.649 1.199 4.747
137 H LYS 19 HN LYS 19 4.951 -0.004 3.657
138 HA LYS 19 HA LYS 19 7.663 0.930 3.051
139 HB2 LYS 19 2HB LYS 19 6.455 -1.796 3.360
140 HB3 LYS 19 1HB LYS 19 8.062 -1.548 2.677
141 HG2 LYS 19 2HG LYS 19 8.823 -0.538 4.733
142 HG3 LYS 19 1HG LYS 19 7.201 -0.665 5.421
143 HD2 LYS 19 2HD LYS 19 7.314 -3.090 5.209
144 HD3 LYS 19 1HD LYS 19 8.942 -2.955 4.551
145 HE2 LYS 19 2HE LYS 19 8.053 -2.093 7.303
146 HE3 LYS 19 1HE LYS 19 9.010 -3.524 6.927
147 HZ1 LYS 19 3HZ LYS 19 9.838 -0.705 6.497
148 HZ2 LYS 19 1HZ LYS 19 10.753 -2.063 6.068
149 HZ3 LYS 19 2HZ LYS 19 10.422 -1.746 7.696
150 H GLY 20 HN GLY 20 6.951 -1.710 1.141
151 HA2 GLY 20 2HA GLY 20 6.263 0.018 -1.096
152 HA3 GLY 20 1HA GLY 20 6.874 -1.634 -1.199
153 H LYS 21 HN LYS 21 5.397 -2.849 0.625
154 HA LYS 21 HA LYS 21 2.593 -2.545 -0.205
155 HB2 LYS 21 2HB LYS 21 3.938 -5.222 0.172
156 HB3 LYS 21 1HB LYS 21 2.352 -4.899 -0.514
157 HG2 LYS 21 2HG LYS 21 4.989 -4.132 -1.747
158 HG3 LYS 21 1HG LYS 21 3.976 -5.492 -2.231
159 HD2 LYS 21 2HD LYS 21 2.348 -4.123 -3.147
160 HD3 LYS 21 1HD LYS 21 2.843 -2.725 -2.194
161 HE2 LYS 21 2HE LYS 21 5.001 -2.754 -3.517
162 HE3 LYS 21 1HE LYS 21 4.227 -3.930 -4.577
163 HZ1 LYS 21 3HZ LYS 21 3.316 -1.154 -4.060
164 HZ2 LYS 21 1HZ LYS 21 2.470 -2.284 -4.993
165 HZ3 LYS 21 2HZ LYS 21 3.992 -1.744 -5.494
166 H ASP 22 HN ASP 22 4.695 -2.508 2.375
167 HA ASP 22 HA ASP 22 3.065 -3.889 4.269
168 HB2 ASP 22 2HB ASP 22 5.599 -3.718 4.393
169 HB3 ASP 22 1HB ASP 22 5.358 -2.052 4.878
170 H VAL 23 HN VAL 23 2.578 -1.174 2.781
171 HA VAL 23 HA VAL 23 1.892 0.549 4.980
172 HB VAL 23 HB VAL 23 2.919 1.431 2.959
173 HG11 VAL 23 1HG1 VAL 23 2.355 0.607 0.975
174 HG12 VAL 23 2HG1 VAL 23 0.735 1.281 1.141
175 HG13 VAL 23 3HG1 VAL 23 1.074 -0.343 1.725
176 HG21 VAL 23 3HG2 VAL 23 1.195 2.712 4.328
177 HG22 VAL 23 1HG2 VAL 23 0.063 2.379 3.022
178 HG23 VAL 23 2HG2 VAL 23 1.525 3.317 2.707
179 H GLU 24 HN GLU 24 -0.167 1.194 5.480
180 HA GLU 24 HA GLU 24 -2.285 -0.596 4.519
181 HB2 GLU 24 2HB GLU 24 -3.477 0.453 6.618
182 HB3 GLU 24 1HB GLU 24 -2.359 -0.890 6.785
183 HG2 GLU 24 2HG GLU 24 -0.565 0.738 7.323
184 HG3 GLU 24 1HG GLU 24 -1.776 2.019 7.284
185 H TYR 25 HN TYR 25 -3.468 0.271 2.990
186 HA TYR 25 HA TYR 25 -4.082 3.134 3.088
187 HD1 TYR 25 HD1 TYR 25 -3.849 4.794 0.285
188 HD2 TYR 25 HD2 TYR 25 -1.205 1.699 1.461
189 HE1 TYR 25 HE1 TYR 25 -1.946 6.259 -0.215
190 HE2 TYR 25 HE2 TYR 25 0.708 3.156 0.973
191 HH TYR 25 HH TYR 25 1.219 5.113 -0.441
192 HB2 TYR 25 2HB TYR 25 -3.575 1.251 0.836
193 HB3 TYR 25 1HB TYR 25 -4.672 2.602 0.578
194 H LEU 26 HN LEU 26 -6.210 3.775 2.647
195 HA LEU 26 HA LEU 26 -8.234 1.786 3.235
196 HG LEU 26 HG LEU 26 -10.584 3.034 3.011
197 HB2 LEU 26 2HB LEU 26 -8.521 3.787 4.480
198 HB3 LEU 26 1HB LEU 26 -8.199 4.792 3.083
199 HD11 LEU 26 1HD1 LEU 26 -11.502 5.459 4.009
200 HD12 LEU 26 2HD1 LEU 26 -10.151 5.001 5.047
201 HD13 LEU 26 3HD1 LEU 26 -11.507 3.896 4.823
202 HD21 LEU 26 3HD2 LEU 26 -9.815 5.676 1.853
203 HD22 LEU 26 1HD2 LEU 26 -11.490 5.135 1.884
204 HD23 LEU 26 2HD2 LEU 26 -10.280 4.197 1.018
205 H VAL 27 HN VAL 27 -10.163 1.661 1.811
206 HA VAL 27 HA VAL 27 -9.648 2.770 -0.817
207 HB VAL 27 HB VAL 27 -9.325 0.968 -1.926
208 HG11 VAL 27 1HG1 VAL 27 -7.769 0.557 -0.155
209 HG12 VAL 27 2HG1 VAL 27 -8.381 -0.979 -0.765
210 HG13 VAL 27 3HG1 VAL 27 -8.992 -0.329 0.755
211 HG21 VAL 27 3HG2 VAL 27 -10.544 -1.210 -1.662
212 HG22 VAL 27 1HG2 VAL 27 -11.570 0.183 -1.997
213 HG23 VAL 27 2HG2 VAL 27 -11.456 -0.452 -0.358
214 H ARG 28 HN ARG 28 -11.248 4.028 -1.204
215 HA ARG 28 HA ARG 28 -13.961 3.360 -0.426
216 HE ARG 28 HE ARG 28 -17.096 6.508 0.161
217 HB2 ARG 28 2HB ARG 28 -12.814 5.754 -0.662
218 HB3 ARG 28 1HB ARG 28 -13.295 5.542 -2.340
219 HG2 ARG 28 2HG ARG 28 -15.102 6.668 -1.531
220 HG3 ARG 28 1HG ARG 28 -15.628 5.000 -1.295
221 HD2 ARG 28 2HD ARG 28 -15.013 5.078 1.027
222 HD3 ARG 28 1HD ARG 28 -14.284 6.670 0.822
223 HH11 ARG 28 1HH1 ARG 28 -14.728 7.169 2.637
224 HH12 ARG 28 2HH1 ARG 28 -15.805 8.139 3.584
225 HH21 ARG 28 2HH2 ARG 28 -17.954 8.487 2.886
226 HH22 ARG 28 1HH2 ARG 28 -18.515 7.783 1.407
227 H TRP 29 HN TRP 29 -13.824 1.367 -1.556
228 HA TRP 29 HA TRP 29 -13.340 0.574 -3.995
229 HD1 TRP 29 HD1 TRP 29 -13.470 -0.878 -5.380
230 HE1 TRP 29 HE1 TRP 29 -14.006 -3.166 -6.427
231 HE3 TRP 29 HE3 TRP 29 -17.247 -2.341 -2.257
232 HZ2 TRP 29 HZ2 TRP 29 -15.790 -5.307 -5.991
233 HZ3 TRP 29 HZ3 TRP 29 -18.315 -4.524 -2.641
234 HH2 TRP 29 HH2 TRP 29 -17.601 -5.975 -4.470
235 HB2 TRP 29 2HB TRP 29 -14.763 -0.491 -2.118
236 HB3 TRP 29 1HB TRP 29 -16.136 0.126 -3.024
237 H LYS 30 HN LYS 30 -13.230 2.282 -5.422
238 HA LYS 30 HA LYS 30 -14.833 4.135 -6.373
239 HB2 LYS 30 2HB LYS 30 -12.779 3.151 -7.520
240 HB3 LYS 30 1HB LYS 30 -13.885 2.060 -8.343
241 HG2 LYS 30 2HG LYS 30 -14.994 3.879 -9.420
242 HG3 LYS 30 1HG LYS 30 -14.099 5.059 -8.458
243 HD2 LYS 30 2HD LYS 30 -13.149 4.916 -10.681
244 HD3 LYS 30 1HD LYS 30 -12.004 4.278 -9.499
245 HE2 LYS 30 2HE LYS 30 -12.761 1.994 -10.056
246 HE3 LYS 30 1HE LYS 30 -13.820 2.671 -11.292
247 HZ1 LYS 30 3HZ LYS 30 -11.773 1.898 -12.271
248 HZ2 LYS 30 1HZ LYS 30 -10.858 2.867 -11.230
249 HZ3 LYS 30 2HZ LYS 30 -11.854 3.582 -12.394
250 H ASP 31 HN ASP 31 -15.617 0.723 -6.748
251 HA ASP 31 HA ASP 31 -18.304 1.495 -7.681
252 HB2 ASP 31 2HB ASP 31 -16.779 -1.057 -8.264
253 HB3 ASP 31 1HB ASP 31 -18.427 -0.716 -8.783
254 H GLY 32 HN GLY 32 -18.129 1.672 -5.105
255 HA2 GLY 32 2HA GLY 32 -19.466 -0.729 -4.086
256 HA3 GLY 32 1HA GLY 32 -18.045 -0.144 -3.225
257 H GLY 33 HN GLY 33 -19.586 -0.025 -1.428
258 HA2 GLY 33 2HA GLY 33 -20.689 2.674 -1.280
259 HA3 GLY 33 1HA GLY 33 -21.815 1.348 -1.027
260 H ASP 34 HN ASP 34 -18.488 1.122 -0.005
261 HA ASP 34 HA ASP 34 -19.224 1.729 2.761
262 HB2 ASP 34 2HB ASP 34 -17.870 -0.854 1.958
263 HB3 ASP 34 1HB ASP 34 -18.294 -0.357 3.593
264 H CYS 35 HN CYS 35 -17.076 1.236 4.148
265 HA CYS 35 HA CYS 35 -14.753 2.274 2.683
266 HG CYS 35 HG CYS 35 -17.162 5.215 4.290
267 HB2 CYS 35 2HB CYS 35 -15.744 3.360 5.328
268 HB3 CYS 35 1HB CYS 35 -14.275 3.859 4.497
269 H GLU 36 HN GLU 36 -13.251 0.751 2.895
270 HA GLU 36 HA GLU 36 -12.855 -0.455 5.555
271 HB2 GLU 36 2HB GLU 36 -12.522 -1.807 2.873
272 HB3 GLU 36 1HB GLU 36 -12.155 -2.533 4.431
273 HG2 GLU 36 2HG GLU 36 -14.269 -3.348 3.682
274 HG3 GLU 36 1HG GLU 36 -14.535 -2.280 5.059
275 H TRP 37 HN TRP 37 -10.599 -1.522 5.665
276 HA TRP 37 HA TRP 37 -8.642 0.357 4.529
277 HD1 TRP 37 HD1 TRP 37 -9.080 2.305 5.596
278 HE1 TRP 37 HE1 TRP 37 -10.140 3.811 7.395
279 HE3 TRP 37 HE3 TRP 37 -8.904 -0.921 9.558
280 HZ2 TRP 37 HZ2 TRP 37 -10.812 3.651 10.135
281 HZ3 TRP 37 HZ3 TRP 37 -9.776 -0.168 11.732
282 HH2 TRP 37 HH2 TRP 37 -10.709 2.070 12.013
283 HB2 TRP 37 2HB TRP 37 -8.548 -1.196 7.118
284 HB3 TRP 37 1HB TRP 37 -7.262 -0.166 6.513
285 H VAL 38 HN VAL 38 -6.642 -0.428 3.825
286 HA VAL 38 HA VAL 38 -6.704 -3.200 2.925
287 HB VAL 38 HB VAL 38 -4.709 -1.003 2.362
288 HG11 VAL 38 1HG1 VAL 38 -3.950 -2.498 0.536
289 HG12 VAL 38 2HG1 VAL 38 -4.972 -3.768 1.200
290 HG13 VAL 38 3HG1 VAL 38 -3.624 -3.134 2.143
291 HG21 VAL 38 3HG2 VAL 38 -5.815 -0.583 0.376
292 HG22 VAL 38 1HG2 VAL 38 -7.138 -0.855 1.507
293 HG23 VAL 38 2HG2 VAL 38 -6.647 -2.136 0.402
294 H LYS 39 HN LYS 39 -4.763 -4.563 3.156
295 HA LYS 39 HA LYS 39 -3.909 -4.555 5.885
296 HB2 LYS 39 2HB LYS 39 -4.480 -6.651 4.741
297 HB3 LYS 39 1HB LYS 39 -3.139 -6.406 3.630
298 HG2 LYS 39 2HG LYS 39 -1.570 -6.549 5.510
299 HG3 LYS 39 1HG LYS 39 -2.925 -6.837 6.603
300 HD2 LYS 39 2HD LYS 39 -2.098 -8.586 4.285
301 HD3 LYS 39 1HD LYS 39 -1.845 -8.935 5.997
302 HE2 LYS 39 2HE LYS 39 -4.516 -8.624 4.631
303 HE3 LYS 39 1HE LYS 39 -3.772 -10.150 5.102
304 HZ1 LYS 39 3HZ LYS 39 -5.406 -9.450 6.722
305 HZ2 LYS 39 1HZ LYS 39 -4.601 -7.979 6.953
306 HZ3 LYS 39 2HZ LYS 39 -3.862 -9.429 7.414
307 H GLY 40 HN GLY 40 -2.566 -2.913 6.318
308 HA2 GLY 40 2HA GLY 40 -0.200 -2.518 4.678
309 HA3 GLY 40 1HA GLY 40 -0.702 -1.515 6.029
310 H VAL 41 HN VAL 41 -0.129 -5.002 5.795
311 HA VAL 41 HA VAL 41 1.998 -4.717 7.822
312 HB VAL 41 HB VAL 41 0.580 -7.312 7.509
313 HG11 VAL 41 1HG1 VAL 41 2.523 -7.141 8.956
314 HG12 VAL 41 2HG1 VAL 41 1.074 -7.491 9.899
315 HG13 VAL 41 3HG1 VAL 41 1.740 -5.859 9.881
316 HG21 VAL 41 3HG2 VAL 41 -1.116 -6.649 9.186
317 HG22 VAL 41 1HG2 VAL 41 -1.292 -5.776 7.663
318 HG23 VAL 41 2HG2 VAL 41 -0.559 -4.980 9.056
319 H HIS 42 HN HIS 42 1.554 -5.225 4.654
320 HA HIS 42 HA HIS 42 3.113 -7.566 4.255
321 HD1 HIS 42 HD1 HIS 42 -0.059 -7.919 2.499
322 HD2 HIS 42 HD2 HIS 42 3.824 -8.726 1.265
323 HE1 HIS 42 HE1 HIS 42 -0.134 -10.232 1.520
324 HE2 HIS 42 HE2 HIS 42 2.254 -10.752 0.917
325 HB2 HIS 42 2HB HIS 42 1.428 -5.919 2.669
326 HB3 HIS 42 1HB HIS 42 3.008 -6.007 1.880
327 H VAL 43 HN VAL 43 4.768 -7.091 5.553
328 HA VAL 43 HA VAL 43 6.565 -4.994 5.340
329 HB VAL 43 HB VAL 43 7.113 -7.822 6.211
330 HG11 VAL 43 1HG1 VAL 43 9.243 -6.989 6.009
331 HG12 VAL 43 2HG1 VAL 43 8.851 -6.485 7.654
332 HG13 VAL 43 3HG1 VAL 43 8.741 -5.330 6.327
333 HG21 VAL 43 3HG2 VAL 43 5.292 -6.768 7.446
334 HG22 VAL 43 1HG2 VAL 43 6.327 -5.387 7.806
335 HG23 VAL 43 2HG2 VAL 43 6.715 -6.975 8.467
336 H ALA 44 HN ALA 44 6.427 -4.960 2.892
337 HA ALA 44 HA ALA 44 8.435 -6.643 1.641
338 HB1 ALA 44 3HB ALA 44 6.704 -4.463 0.470
339 HB2 ALA 44 1HB ALA 44 6.383 -6.196 0.391
340 HB3 ALA 44 2HB ALA 44 7.783 -5.519 -0.443
341 H GLU 45 HN GLU 45 9.669 -5.397 3.526
342 HA GLU 45 HA GLU 45 10.568 -2.813 3.308
343 HB2 GLU 45 2HB GLU 45 11.148 -4.192 5.209
344 HB3 GLU 45 1HB GLU 45 12.089 -5.271 4.189
345 HG2 GLU 45 2HG GLU 45 13.663 -3.461 3.726
346 HG3 GLU 45 1HG GLU 45 12.719 -2.381 4.753
347 H ASP 46 HN ASP 46 11.293 -5.534 1.323
348 HA ASP 46 HA ASP 46 13.682 -4.546 0.133
349 HB2 ASP 46 2HB ASP 46 12.924 -6.921 0.015
350 HB3 ASP 46 1HB ASP 46 11.632 -6.417 -1.071
351 H VAL 47 HN VAL 47 10.279 -4.447 -0.880
352 HA VAL 47 HA VAL 47 10.679 -3.044 -3.276
353 HB VAL 47 HB VAL 47 8.259 -2.909 -1.474
354 HG11 VAL 47 1HG1 VAL 47 8.781 -1.417 -3.692
355 HG12 VAL 47 2HG1 VAL 47 7.169 -1.833 -3.116
356 HG13 VAL 47 3HG1 VAL 47 7.929 -2.796 -4.383
357 HG21 VAL 47 3HG2 VAL 47 8.732 -4.792 -3.775
358 HG22 VAL 47 1HG2 VAL 47 7.388 -4.798 -2.634
359 HG23 VAL 47 2HG2 VAL 47 9.009 -5.223 -2.091
360 H ALA 48 HN ALA 48 10.444 -2.011 -0.007
361 HA ALA 48 HA ALA 48 10.216 0.815 -0.437
362 HB1 ALA 48 3HB ALA 48 10.837 -0.743 2.065
363 HB2 ALA 48 1HB ALA 48 9.229 -0.248 1.535
364 HB3 ALA 48 2HB ALA 48 10.425 0.971 1.982
365 H LYS 49 HN LYS 49 12.660 -1.302 1.030
366 HA LYS 49 HA LYS 49 14.714 0.576 1.161
367 HB2 LYS 49 2HB LYS 49 14.722 -1.676 2.267
368 HB3 LYS 49 1HB LYS 49 15.022 -2.399 0.692
369 HG2 LYS 49 2HG LYS 49 17.090 -2.242 1.884
370 HG3 LYS 49 1HG LYS 49 17.120 -1.095 0.542
371 HD2 LYS 49 2HD LYS 49 18.030 -0.089 2.570
372 HD3 LYS 49 1HD LYS 49 16.539 0.719 2.080
373 HE2 LYS 49 2HE LYS 49 15.289 -0.543 3.741
374 HE3 LYS 49 1HE LYS 49 16.749 -1.415 4.203
375 HZ1 LYS 49 3HZ LYS 49 17.721 0.674 4.930
376 HZ2 LYS 49 1HZ LYS 49 16.267 0.377 5.743
377 HZ3 LYS 49 2HZ LYS 49 16.319 1.509 4.488
378 H ASP 50 HN ASP 50 13.460 -1.359 -1.423
379 HA ASP 50 HA ASP 50 15.606 -0.620 -3.237
380 HB2 ASP 50 2HB ASP 50 14.476 -2.942 -3.130
381 HB3 ASP 50 1HB ASP 50 13.135 -2.171 -3.976
382 H TYR 51 HN TYR 51 12.392 0.353 -2.361
383 HA TYR 51 HA TYR 51 11.756 1.624 -4.789
384 HD1 TYR 51 HD1 TYR 51 10.204 2.068 -5.801
385 HD2 TYR 51 HD2 TYR 51 8.253 0.821 -2.228
386 HE1 TYR 51 HE1 TYR 51 8.323 1.208 -7.128
387 HE2 TYR 51 HE2 TYR 51 6.367 -0.033 -3.549
388 HH TYR 51 HH TYR 51 6.513 -0.410 -6.930
389 HB2 TYR 51 2HB TYR 51 10.547 1.507 -2.179
390 HB3 TYR 51 1HB TYR 51 10.357 3.074 -2.909
391 H GLU 52 HN GLU 52 12.384 3.027 -1.629
392 HA GLU 52 HA GLU 52 13.186 5.513 -2.810
393 HB2 GLU 52 2HB GLU 52 13.207 6.397 -0.559
394 HB3 GLU 52 1HB GLU 52 11.731 5.484 -0.830
395 HG2 GLU 52 2HG GLU 52 12.746 3.564 0.344
396 HG3 GLU 52 1HG GLU 52 14.161 4.557 0.683
397 H ASP 53 HN ASP 53 14.642 3.110 -0.656
398 HA ASP 53 HA ASP 53 17.204 4.374 -0.660
399 HB2 ASP 53 2HB ASP 53 16.012 1.913 0.477
400 HB3 ASP 53 1HB ASP 53 17.761 1.916 0.261
401 H GLY 54 HN GLY 54 15.618 2.081 -2.708
402 HA2 GLY 54 2HA GLY 54 17.894 0.795 -3.786
403 HA3 GLY 54 1HA GLY 54 16.326 0.923 -4.566
404 H LEU 55 HN LEU 55 16.050 3.619 -4.908
405 HA LEU 55 HA LEU 55 17.838 4.091 -7.107
406 HG LEU 55 HG LEU 55 14.637 3.917 -7.075
407 HB2 LEU 55 2HB LEU 55 15.616 5.744 -5.906
408 HB3 LEU 55 1HB LEU 55 16.539 6.237 -7.315
409 HD11 LEU 55 1HD1 LEU 55 13.450 5.020 -8.843
410 HD12 LEU 55 2HD1 LEU 55 14.723 6.227 -9.006
411 HD13 LEU 55 3HD1 LEU 55 13.734 6.182 -7.547
412 HD21 LEU 55 3HD2 LEU 55 16.531 3.063 -8.267
413 HD22 LEU 55 1HD2 LEU 55 16.619 4.515 -9.263
414 HD23 LEU 55 2HD2 LEU 55 15.254 3.412 -9.433
415 H GLU 56 HN GLU 56 16.980 6.098 -4.289
416 HA GLU 56 HA GLU 56 19.443 7.581 -4.529
417 HB2 GLU 56 2HB GLU 56 17.209 7.724 -2.518
418 HB3 GLU 56 1HB GLU 56 18.589 8.811 -2.535
419 HG2 GLU 56 2HG GLU 56 17.935 9.584 -4.765
420 HG3 GLU 56 1HG GLU 56 16.539 8.507 -4.720
421 H TYR 57 HN TYR 57 20.449 5.284 -4.240
422 HA TYR 57 HA TYR 57 20.737 4.496 -1.459
423 HD1 TYR 57 HD1 TYR 57 20.440 1.445 -1.280
424 HD2 TYR 57 HD2 TYR 57 24.158 2.888 -2.759
425 HE1 TYR 57 HE1 TYR 57 21.629 -0.125 0.194
426 HE2 TYR 57 HE2 TYR 57 25.358 1.321 -1.292
427 HH TYR 57 HH TYR 57 23.843 -1.246 0.289
428 HB2 TYR 57 2HB TYR 57 20.526 2.804 -3.271
429 HB3 TYR 57 1HB TYR 57 22.060 3.358 -3.930
430 HA ALA 1 HA ALA 1 -18.314 -7.700 3.696
431 H1 ALA 1 1H ALA 1 -18.690 -10.047 4.038
432 H2 ALA 1 2H ALA 1 -17.168 -10.414 3.395
433 H3 ALA 1 3H ALA 1 -18.360 -9.727 2.410
434 HB1 ALA 1 3HB ALA 1 -16.677 -7.366 5.439
435 HB2 ALA 1 1HB ALA 1 -16.044 -8.994 5.199
436 HB3 ALA 1 2HB ALA 1 -17.676 -8.768 5.827
437 HA PRO 2 HA PRO 2 -15.538 -7.453 0.031
438 HB2 PRO 2 1HB PRO 2 -16.456 -5.706 -1.164
439 HB3 PRO 2 2HB PRO 2 -16.686 -4.707 0.276
440 HG2 PRO 2 2HG PRO 2 -18.870 -5.434 -0.086
441 HG3 PRO 2 1HG PRO 2 -18.336 -6.997 -0.731
442 HD2 PRO 2 2HD PRO 2 -18.595 -6.102 2.100
443 HD3 PRO 2 1HD PRO 2 -18.854 -7.710 1.395
444 HA PRO 3 HA PRO 3 -12.486 -5.592 2.878
445 HB2 PRO 3 1HB PRO 3 -11.350 -7.593 2.863
446 HB3 PRO 3 2HB PRO 3 -10.324 -6.735 1.707
447 HG2 PRO 3 2HG PRO 3 -11.360 -7.713 -0.129
448 HG3 PRO 3 1HG PRO 3 -11.480 -9.039 1.045
449 HD2 PRO 3 2HD PRO 3 -13.644 -8.016 -0.221
450 HD3 PRO 3 1HD PRO 3 -13.722 -8.664 1.430
451 H GLY 4 HN GLY 4 -11.770 -3.579 2.584
452 HA2 GLY 4 2HA GLY 4 -11.746 -2.301 0.068
453 HA3 GLY 4 1HA GLY 4 -11.067 -1.646 1.552
454 H THR 5 HN THR 5 -10.421 -3.196 -1.437
455 HA THR 5 HA THR 5 -7.589 -2.740 -1.113
456 HB THR 5 HB THR 5 -7.795 -4.984 -0.169
457 HG1 THR 5 HG1 THR 5 -6.489 -4.130 0.261
458 1HG2 THR 5 1HG2 THR 5 -7.894 -7.294 1.116
459 2HG2 THR 5 2HG2 THR 5 -7.703 -7.943 -0.512
460 3HG2 THR 5 3HG2 THR 5 -8.875 -6.662 -0.207
461 H ALA 6 HN ALA 6 -6.447 -2.581 -3.003
462 HA ALA 6 HA ALA 6 -7.739 -3.246 -5.531
463 HB1 ALA 6 3HB ALA 6 -8.521 -1.009 -5.186
464 HB2 ALA 6 1HB ALA 6 -7.281 -0.977 -6.438
465 HB3 ALA 6 2HB ALA 6 -6.896 -0.457 -4.799
466 H ARG 7 HN ARG 7 -5.081 -0.970 -5.077
467 HA ARG 7 HA ARG 7 -3.348 -2.571 -6.707
468 HE ARG 7 HE ARG 7 -3.690 0.938 -8.227
469 HB2 ARG 7 2HB ARG 7 -3.550 0.108 -6.203
470 HB3 ARG 7 1HB ARG 7 -2.167 -0.326 -5.206
471 HG2 ARG 7 2HG ARG 7 -1.406 0.398 -7.367
472 HG3 ARG 7 1HG ARG 7 -1.090 -1.328 -7.182
473 HD2 ARG 7 2HD ARG 7 -1.974 -0.820 -9.404
474 HD3 ARG 7 1HD ARG 7 -3.083 -1.843 -8.491
475 HH11 ARG 7 1HH1 ARG 7 -4.069 -1.848 -10.278
476 HH12 ARG 7 2HH1 ARG 7 -5.516 -1.262 -11.028
477 HH21 ARG 7 2HH2 ARG 7 -6.384 0.768 -10.420
478 HH22 ARG 7 1HH2 ARG 7 -5.596 1.723 -9.208
479 H ARG 8 HN ARG 8 -0.869 -1.856 -5.246
480 HA ARG 8 HA ARG 8 0.574 -3.076 -3.942
481 HE ARG 8 HE ARG 8 0.191 -5.544 -0.512
482 HB2 ARG 8 2HB ARG 8 -0.212 -1.410 -2.388
483 HB3 ARG 8 1HB ARG 8 -1.646 -2.355 -2.029
484 HG2 ARG 8 2HG ARG 8 0.805 -3.823 -1.519
485 HG3 ARG 8 1HG ARG 8 0.694 -2.328 -0.587
486 HD2 ARG 8 2HD ARG 8 -0.731 -3.301 0.808
487 HD3 ARG 8 1HD ARG 8 -1.850 -3.578 -0.528
488 HH11 ARG 8 1HH1 ARG 8 -2.693 -4.587 1.184
489 HH12 ARG 8 2HH1 ARG 8 -3.096 -6.197 1.676
490 HH21 ARG 8 2HH2 ARG 8 -1.752 -7.950 1.073
491 HH22 ARG 8 1HH2 ARG 8 -0.332 -7.668 0.122
492 H LYS 9 HN LYS 9 -0.032 -5.072 -5.233
493 HA LYS 9 HA LYS 9 -0.818 -7.137 -3.325
494 HB2 LYS 9 2HB LYS 9 -2.877 -6.414 -4.546
495 HB3 LYS 9 1HB LYS 9 -2.134 -6.981 -6.035
496 HG2 LYS 9 2HG LYS 9 -3.634 -8.658 -5.232
497 HG3 LYS 9 1HG LYS 9 -1.981 -9.243 -5.036
498 HD2 LYS 9 2HD LYS 9 -2.031 -8.625 -2.678
499 HD3 LYS 9 1HD LYS 9 -3.669 -7.999 -2.867
500 HE2 LYS 9 2HE LYS 9 -2.838 -10.861 -3.333
501 HE3 LYS 9 1HE LYS 9 -3.614 -10.256 -1.870
502 HZ1 LYS 9 3HZ LYS 9 -5.522 -9.595 -3.226
503 HZ2 LYS 9 1HZ LYS 9 -5.232 -11.259 -3.330
504 HZ3 LYS 9 2HZ LYS 9 -4.780 -10.240 -4.602
505 H ARG 10 HN ARG 10 1.755 -6.773 -4.139
506 HA ARG 10 HA ARG 10 2.175 -8.941 -6.090
507 HE ARG 10 HE ARG 10 6.233 -7.322 -6.722
508 HB2 ARG 10 2HB ARG 10 4.292 -7.952 -6.666
509 HB3 ARG 10 1HB ARG 10 3.051 -6.712 -6.787
510 HG2 ARG 10 2HG ARG 10 3.726 -5.817 -4.620
511 HG3 ARG 10 1HG ARG 10 4.965 -7.066 -4.488
512 HD2 ARG 10 2HD ARG 10 4.809 -4.975 -6.658
513 HD3 ARG 10 1HD ARG 10 5.878 -4.913 -5.258
514 HH11 ARG 10 1HH1 ARG 10 6.989 -3.923 -6.738
515 HH12 ARG 10 2HH1 ARG 10 8.430 -4.114 -7.680
516 HH21 ARG 10 2HH2 ARG 10 9.079 -6.198 -8.376
517 HH22 ARG 10 1HH2 ARG 10 8.130 -7.587 -7.962
518 H LYS 11 HN LYS 11 2.801 -7.753 -2.902
519 HA LYS 11 HA LYS 11 3.917 -8.580 -1.109
520 1HB LYS 11 2HB LYS 11 3.349 -11.290 -2.284
521 2HB LYS 11 1HB LYS 11 3.470 -10.843 -0.589
522 1HG LYS 11 2HG LYS 11 5.156 -6.627 -2.169
523 2HG LYS 11 1HG LYS 11 3.561 -7.273 -2.554
524 1HD LYS 11 2HD LYS 11 2.616 -6.465 -0.615
525 2HD LYS 11 1HD LYS 11 4.156 -6.435 0.248
526 1HE LYS 11 1HE LYS 11 3.202 -4.186 -0.372
527 2HE LYS 11 2HE LYS 11 3.506 -4.611 -2.057
528 1HZ LYS 11 1HZ LYS 11 -1.600 -12.346 -2.683
529 2HZ LYS 11 2HZ LYS 11 -0.147 -12.390 -1.816
530 3HZ LYS 11 3HZ LYS 11 -0.137 -12.609 -3.494
531 H ALA 12 HN ALA 12 5.952 -7.752 -1.958
532 HA ALA 12 HA ALA 12 7.749 -9.490 -3.348
533 HB1 ALA 12 3HB ALA 12 7.896 -7.028 -3.474
534 HB2 ALA 12 1HB ALA 12 9.412 -7.771 -2.958
535 HB3 ALA 12 2HB ALA 12 8.362 -6.994 -1.773
536 H ASP 13 HN ASP 13 6.964 -8.817 -0.037
537 HA ASP 13 HA ASP 13 9.128 -10.593 0.863
538 HB2 ASP 13 2HB ASP 13 9.264 -8.358 1.825
539 HB3 ASP 13 1HB ASP 13 7.596 -8.462 2.387
540 H SER 14 HN SER 14 6.872 -11.729 -0.258
541 HA SER 14 HA SER 14 4.779 -12.371 1.454
542 HG SER 14 HG SER 14 5.170 -12.017 -1.375
543 HB2 SER 14 2HB SER 14 6.049 -14.057 -0.713
544 HB3 SER 14 1HB SER 14 4.485 -14.386 0.029
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 8.521 4.452 -6.668
2 H2 GLY 1 2H GLY 1 8.664 3.449 -5.313
3 H3 GLY 1 3H GLY 1 8.538 2.770 -6.856
4 HA2 GLY 1 1HA GLY 1 10.825 2.696 -6.010
5 HA3 GLY 1 2HA GLY 1 10.665 3.615 -7.499
6 H SER 2 HN SER 2 9.661 4.770 -4.329
7 HA SER 2 HA SER 2 11.964 6.163 -3.598
8 HG SER 2 HG SER 2 9.502 7.641 -6.081
9 HB2 SER 2 2HB SER 2 11.472 8.436 -4.296
10 HB3 SER 2 1HB SER 2 11.583 7.392 -5.711
11 H GLN 3 HN GLN 3 8.453 6.125 -3.664
12 HA GLN 3 HA GLN 3 8.309 7.429 -1.092
13 HB2 GLN 3 2HB GLN 3 5.987 7.520 -1.428
14 HB3 GLN 3 1HB GLN 3 6.661 7.702 -3.042
15 HG2 GLN 3 2HG GLN 3 5.684 5.081 -1.950
16 HG3 GLN 3 1HG GLN 3 4.676 6.194 -2.872
17 HE21 GLN 3 2HE2 GLN 3 6.049 5.401 -5.975
18 HE22 GLN 3 1HE2 GLN 3 5.073 6.492 -5.059
19 H VAL 4 HN VAL 4 7.780 6.437 0.819
20 HA VAL 4 HA VAL 4 8.295 3.583 0.889
21 HB VAL 4 HB VAL 4 7.693 5.128 3.367
22 HG11 VAL 4 1HG1 VAL 4 8.174 2.708 3.403
23 HG12 VAL 4 2HG1 VAL 4 9.327 3.653 4.339
24 HG13 VAL 4 3HG1 VAL 4 9.775 3.044 2.746
25 HG21 VAL 4 3HG2 VAL 4 9.127 6.697 2.302
26 HG22 VAL 4 1HG2 VAL 4 10.209 5.423 1.742
27 HG23 VAL 4 2HG2 VAL 4 10.116 5.806 3.461
28 H PHE 5 HN PHE 5 6.026 3.763 -0.362
29 HA PHE 5 HA PHE 5 4.227 2.262 1.113
30 HD1 PHE 5 HD1 PHE 5 2.470 5.555 -0.676
31 HD2 PHE 5 HD2 PHE 5 4.896 6.085 2.781
32 HE1 PHE 5 HE1 PHE 5 2.836 7.908 -1.298
33 HE2 PHE 5 HE2 PHE 5 5.266 8.438 2.166
34 HZ PHE 5 HZ PHE 5 4.235 9.352 0.124
35 HB2 PHE 5 2HB PHE 5 2.384 4.016 1.364
36 HB3 PHE 5 1HB PHE 5 3.712 4.105 2.510
37 H GLU 6 HN GLU 6 1.996 2.214 0.031
38 HA GLU 6 HA GLU 6 1.869 3.135 -2.699
39 HB2 GLU 6 2HB GLU 6 2.280 0.275 -1.937
40 HB3 GLU 6 1HB GLU 6 1.189 0.643 -3.266
41 HG2 GLU 6 2HG GLU 6 2.950 1.846 -4.413
42 HG3 GLU 6 1HG GLU 6 4.057 1.507 -3.084
43 H TYR 7 HN TYR 7 -0.281 3.193 -3.475
44 HA TYR 7 HA TYR 7 -2.224 2.961 -1.366
45 HD1 TYR 7 HD1 TYR 7 -0.653 4.772 -4.810
46 HD2 TYR 7 HD2 TYR 7 -4.690 3.435 -4.699
47 HE1 TYR 7 HE1 TYR 7 -0.690 4.698 -7.269
48 HE2 TYR 7 HE2 TYR 7 -4.739 3.356 -7.157
49 HH TYR 7 HH TYR 7 -1.916 3.610 -9.059
50 HB2 TYR 7 2HB TYR 7 -3.649 4.299 -2.724
51 HB3 TYR 7 1HB TYR 7 -2.045 5.007 -2.775
52 H ALA 8 HN ALA 8 -3.153 1.104 -1.042
53 HA ALA 8 HA ALA 8 -3.773 -0.679 -3.275
54 HB1 ALA 8 3HB ALA 8 -2.764 -1.400 -1.001
55 HB2 ALA 8 1HB ALA 8 -4.079 -2.365 -1.672
56 HB3 ALA 8 2HB ALA 8 -4.400 -1.205 -0.382
57 H GLU 9 HN GLU 9 -5.216 1.527 -3.614
58 HA GLU 9 HA GLU 9 -7.851 0.973 -2.484
59 HB2 GLU 9 2HB GLU 9 -7.671 3.046 -1.700
60 HB3 GLU 9 1HB GLU 9 -6.230 3.338 -2.647
61 HG2 GLU 9 2HG GLU 9 -9.030 3.651 -3.665
62 HG3 GLU 9 1HG GLU 9 -8.047 4.952 -3.029
63 H VAL 10 HN VAL 10 -9.659 1.475 -3.641
64 HA VAL 10 HA VAL 10 -9.386 0.742 -6.401
65 HB VAL 10 HB VAL 10 -11.813 0.882 -4.695
66 HG11 VAL 10 1HG1 VAL 10 -13.074 0.223 -6.472
67 HG12 VAL 10 2HG1 VAL 10 -11.775 -0.759 -7.144
68 HG13 VAL 10 3HG1 VAL 10 -11.780 0.985 -7.395
69 HG21 VAL 10 3HG2 VAL 10 -11.646 -1.508 -4.517
70 HG22 VAL 10 1HG2 VAL 10 -10.122 -0.790 -4.005
71 HG23 VAL 10 2HG2 VAL 10 -10.260 -1.527 -5.601
72 H ASP 11 HN ASP 11 -10.659 3.300 -4.399
73 HA ASP 11 HA ASP 11 -10.586 5.058 -6.742
74 HB2 ASP 11 2HB ASP 11 -12.935 4.352 -6.343
75 HB3 ASP 11 1HB ASP 11 -12.839 5.051 -4.735
76 H GLU 12 HN GLU 12 -10.538 4.774 -3.206
77 HA GLU 12 HA GLU 12 -8.922 7.157 -3.029
78 HB2 GLU 12 2HB GLU 12 -11.711 7.165 -1.888
79 HB3 GLU 12 1HB GLU 12 -10.461 8.303 -1.409
80 HG2 GLU 12 2HG GLU 12 -10.289 9.009 -3.792
81 HG3 GLU 12 1HG GLU 12 -11.681 7.984 -4.137
82 H ILE 13 HN ILE 13 -7.990 7.534 -0.945
83 HA ILE 13 HA ILE 13 -8.320 5.299 0.949
84 HB ILE 13 HB ILE 13 -5.957 5.103 1.308
85 HG12 ILE 13 2HG1 ILE 13 -5.484 7.581 1.190
86 HG13 ILE 13 1HG1 ILE 13 -4.302 6.593 0.342
87 HG21 ILE 13 1HG2 ILE 13 -6.053 3.828 -0.514
88 HG22 ILE 13 2HG2 ILE 13 -5.263 5.169 -1.341
89 HG23 ILE 13 3HG2 ILE 13 -7.013 5.009 -1.398
90 HD11 ILE 13 3HD1 ILE 13 -5.871 7.080 -1.714
91 HD12 ILE 13 1HD1 ILE 13 -4.641 8.234 -1.195
92 HD13 ILE 13 2HD1 ILE 13 -6.323 8.475 -0.733
93 H VAL 14 HN VAL 14 -6.612 6.132 2.924
94 HA VAL 14 HA VAL 14 -7.169 8.898 3.584
95 HB VAL 14 HB VAL 14 -8.244 6.637 5.278
96 HG11 VAL 14 1HG1 VAL 14 -8.132 9.591 5.894
97 HG12 VAL 14 2HG1 VAL 14 -7.209 8.325 6.704
98 HG13 VAL 14 3HG1 VAL 14 -8.965 8.371 6.855
99 HG21 VAL 14 3HG2 VAL 14 -9.622 8.958 3.929
100 HG22 VAL 14 1HG2 VAL 14 -10.399 7.742 4.943
101 HG23 VAL 14 2HG2 VAL 14 -9.675 7.275 3.404
102 H GLU 15 HN GLU 15 -6.122 5.850 5.091
103 HA GLU 15 HA GLU 15 -3.884 7.259 6.345
104 HB2 GLU 15 2HB GLU 15 -5.231 5.715 7.727
105 HB3 GLU 15 1HB GLU 15 -4.799 4.391 6.654
106 HG2 GLU 15 2HG GLU 15 -3.477 4.382 8.707
107 HG3 GLU 15 1HG GLU 15 -2.473 4.601 7.275
108 H LYS 16 HN LYS 16 -1.772 6.982 5.719
109 HA LYS 16 HA LYS 16 -1.104 4.807 3.888
110 HB2 LYS 16 2HB LYS 16 -0.033 6.510 2.315
111 HB3 LYS 16 1HB LYS 16 -1.789 6.401 2.280
112 HG2 LYS 16 2HG LYS 16 -1.952 8.386 3.677
113 HG3 LYS 16 1HG LYS 16 -0.193 8.481 3.766
114 HD2 LYS 16 2HD LYS 16 -0.908 10.043 2.117
115 HD3 LYS 16 1HD LYS 16 -0.170 8.684 1.267
116 HE2 LYS 16 2HE LYS 16 -2.355 7.778 0.754
117 HE3 LYS 16 1HE LYS 16 -3.133 9.051 1.694
118 HZ1 LYS 16 3HZ LYS 16 -3.192 9.523 -0.679
119 HZ2 LYS 16 1HZ LYS 16 -1.502 9.473 -0.753
120 HZ3 LYS 16 2HZ LYS 16 -2.274 10.682 0.142
121 H ARG 17 HN ARG 17 0.413 4.092 5.512
122 HA ARG 17 HA ARG 17 2.913 5.552 5.484
123 HE ARG 17 HE ARG 17 2.763 5.554 10.337
124 HB2 ARG 17 2HB ARG 17 3.123 5.620 7.943
125 HB3 ARG 17 1HB ARG 17 1.812 6.625 7.344
126 HG2 ARG 17 2HG ARG 17 0.281 4.660 7.870
127 HG3 ARG 17 1HG ARG 17 1.640 4.005 8.787
128 HD2 ARG 17 2HD ARG 17 0.376 6.708 9.217
129 HD3 ARG 17 1HD ARG 17 0.086 5.275 10.204
130 HH11 ARG 17 1HH1 ARG 17 0.134 7.784 10.834
131 HH12 ARG 17 2HH1 ARG 17 0.985 8.728 12.011
132 HH21 ARG 17 2HH2 ARG 17 3.121 8.162 12.611
133 HH22 ARG 17 1HH2 ARG 17 3.892 6.788 11.889
134 H GLY 18 HN GLY 18 3.861 3.724 4.491
135 HA2 GLY 18 2HA GLY 18 4.390 1.569 6.374
136 HA3 GLY 18 1HA GLY 18 3.536 1.114 4.924
137 H LYS 19 HN LYS 19 4.872 -0.060 3.827
138 HA LYS 19 HA LYS 19 7.621 0.851 3.382
139 HB2 LYS 19 2HB LYS 19 6.320 -1.849 3.377
140 HB3 LYS 19 1HB LYS 19 7.980 -1.589 2.851
141 HG2 LYS 19 2HG LYS 19 8.521 -0.708 5.082
142 HG3 LYS 19 1HG LYS 19 6.871 -1.079 5.598
143 HD2 LYS 19 2HD LYS 19 7.215 -3.413 5.072
144 HD3 LYS 19 1HD LYS 19 8.848 -3.061 4.509
145 HE2 LYS 19 2HE LYS 19 7.831 -2.644 7.321
146 HE3 LYS 19 1HE LYS 19 8.842 -3.987 6.792
147 HZ1 LYS 19 3HZ LYS 19 10.576 -2.404 6.217
148 HZ2 LYS 19 1HZ LYS 19 10.153 -2.258 7.848
149 HZ3 LYS 19 2HZ LYS 19 9.606 -1.117 6.727
150 H GLY 20 HN GLY 20 7.008 -1.595 1.239
151 HA2 GLY 20 2HA GLY 20 6.502 0.288 -0.913
152 HA3 GLY 20 1HA GLY 20 7.043 -1.382 -1.080
153 H LYS 21 HN LYS 21 5.396 -2.628 0.563
154 HA LYS 21 HA LYS 21 2.666 -2.094 -0.339
155 HB2 LYS 21 2HB LYS 21 4.225 -4.648 -0.592
156 HB3 LYS 21 1HB LYS 21 2.471 -4.680 -0.473
157 HG2 LYS 21 2HG LYS 21 2.708 -4.663 -2.733
158 HG3 LYS 21 1HG LYS 21 2.658 -2.925 -2.433
159 HD2 LYS 21 2HD LYS 21 5.040 -2.764 -2.566
160 HD3 LYS 21 1HD LYS 21 5.209 -4.520 -2.610
161 HE2 LYS 21 2HE LYS 21 3.936 -4.516 -4.754
162 HE3 LYS 21 1HE LYS 21 3.982 -2.754 -4.721
163 HZ1 LYS 21 3HZ LYS 21 6.392 -2.846 -4.771
164 HZ2 LYS 21 1HZ LYS 21 5.743 -3.670 -6.100
165 HZ3 LYS 21 2HZ LYS 21 6.355 -4.538 -4.784
166 H ASP 22 HN ASP 22 4.628 -2.333 2.279
167 HA ASP 22 HA ASP 22 2.961 -3.953 3.948
168 HB2 ASP 22 2HB ASP 22 5.526 -3.806 4.111
169 HB3 ASP 22 1HB ASP 22 5.246 -2.259 4.894
170 H VAL 23 HN VAL 23 2.455 -1.130 2.766
171 HA VAL 23 HA VAL 23 1.816 0.381 5.125
172 HB VAL 23 HB VAL 23 2.842 1.412 3.154
173 HG11 VAL 23 1HG1 VAL 23 0.713 -0.039 1.839
174 HG12 VAL 23 2HG1 VAL 23 2.172 0.676 1.164
175 HG13 VAL 23 3HG1 VAL 23 0.721 1.656 1.366
176 HG21 VAL 23 3HG2 VAL 23 0.043 2.477 3.423
177 HG22 VAL 23 1HG2 VAL 23 1.548 3.371 3.199
178 HG23 VAL 23 2HG2 VAL 23 1.211 2.582 4.739
179 H GLU 24 HN GLU 24 -0.262 1.202 5.533
180 HA GLU 24 HA GLU 24 -2.404 -0.564 4.578
181 HB2 GLU 24 2HB GLU 24 -3.647 0.320 6.612
182 HB3 GLU 24 1HB GLU 24 -2.277 -0.731 6.933
183 HG2 GLU 24 2HG GLU 24 -0.892 1.191 7.453
184 HG3 GLU 24 1HG GLU 24 -2.226 2.275 7.064
185 H TYR 25 HN TYR 25 -3.692 0.319 3.098
186 HA TYR 25 HA TYR 25 -4.158 3.210 3.157
187 HD1 TYR 25 HD1 TYR 25 -3.905 4.745 -0.010
188 HD2 TYR 25 HD2 TYR 25 -1.298 2.026 1.942
189 HE1 TYR 25 HE1 TYR 25 -2.034 6.272 -0.429
190 HE2 TYR 25 HE2 TYR 25 0.582 3.548 1.532
191 HH TYR 25 HH TYR 25 0.157 6.758 0.392
192 HB2 TYR 25 2HB TYR 25 -3.589 1.352 0.905
193 HB3 TYR 25 1HB TYR 25 -4.721 2.668 0.612
194 H LEU 26 HN LEU 26 -6.252 3.919 2.717
195 HA LEU 26 HA LEU 26 -8.326 1.979 3.292
196 HG LEU 26 HG LEU 26 -10.637 3.243 3.125
197 HB2 LEU 26 2HB LEU 26 -8.520 3.985 4.553
198 HB3 LEU 26 1HB LEU 26 -8.241 4.986 3.142
199 HD11 LEU 26 1HD1 LEU 26 -11.916 5.049 4.295
200 HD12 LEU 26 2HD1 LEU 26 -10.365 5.707 4.818
201 HD13 LEU 26 3HD1 LEU 26 -10.854 4.091 5.327
202 HD21 LEU 26 3HD2 LEU 26 -9.865 5.916 2.036
203 HD22 LEU 26 1HD2 LEU 26 -11.548 5.391 2.088
204 HD23 LEU 26 2HD2 LEU 26 -10.363 4.463 1.170
205 H VAL 27 HN VAL 27 -10.252 1.857 1.903
206 HA VAL 27 HA VAL 27 -9.793 2.908 -0.761
207 HB VAL 27 HB VAL 27 -9.316 1.094 -1.771
208 HG11 VAL 27 1HG1 VAL 27 -9.409 -0.420 0.815
209 HG12 VAL 27 2HG1 VAL 27 -8.079 0.619 0.304
210 HG13 VAL 27 3HG1 VAL 27 -8.474 -0.826 -0.625
211 HG21 VAL 27 3HG2 VAL 27 -11.677 -0.259 -0.501
212 HG22 VAL 27 1HG2 VAL 27 -10.653 -1.019 -1.716
213 HG23 VAL 27 2HG2 VAL 27 -11.572 0.430 -2.118
214 H ARG 28 HN ARG 28 -11.437 4.069 -1.261
215 HA ARG 28 HA ARG 28 -14.117 3.315 -0.431
216 HE ARG 28 HE ARG 28 -17.464 6.787 -0.909
217 HB2 ARG 28 2HB ARG 28 -13.187 5.756 -0.651
218 HB3 ARG 28 1HB ARG 28 -13.454 5.499 -2.371
219 HG2 ARG 28 2HG ARG 28 -15.816 5.062 -1.953
220 HG3 ARG 28 1HG ARG 28 -15.555 5.321 -0.227
221 HD2 ARG 28 2HD ARG 28 -14.867 7.621 -0.674
222 HD3 ARG 28 1HD ARG 28 -15.107 7.363 -2.401
223 HH11 ARG 28 1HH1 ARG 28 -15.555 9.383 -2.226
224 HH12 ARG 28 2HH1 ARG 28 -16.893 10.476 -2.350
225 HH21 ARG 28 2HH2 ARG 28 -18.984 9.813 -1.692
226 HH22 ARG 28 1HH2 ARG 28 -19.233 8.217 -1.066
227 H TRP 29 HN TRP 29 -13.910 1.319 -1.450
228 HA TRP 29 HA TRP 29 -13.307 0.382 -3.796
229 HD1 TRP 29 HD1 TRP 29 -13.410 -1.102 -5.156
230 HE1 TRP 29 HE1 TRP 29 -13.570 -3.577 -5.842
231 HE3 TRP 29 HE3 TRP 29 -16.859 -2.671 -1.726
232 HZ2 TRP 29 HZ2 TRP 29 -14.973 -5.889 -5.035
233 HZ3 TRP 29 HZ3 TRP 29 -17.558 -5.030 -1.750
234 HH2 TRP 29 HH2 TRP 29 -16.634 -6.605 -3.372
235 HB2 TRP 29 2HB TRP 29 -14.891 -0.511 -1.895
236 HB3 TRP 29 1HB TRP 29 -16.150 -0.101 -3.052
237 H LYS 30 HN LYS 30 -13.148 1.973 -5.338
238 HA LYS 30 HA LYS 30 -14.745 3.712 -6.514
239 HB2 LYS 30 2HB LYS 30 -12.662 2.893 -7.561
240 HB3 LYS 30 1HB LYS 30 -13.519 1.465 -8.120
241 HG2 LYS 30 2HG LYS 30 -13.253 3.110 -9.894
242 HG3 LYS 30 1HG LYS 30 -14.953 2.829 -9.514
243 HD2 LYS 30 2HD LYS 30 -14.990 4.868 -8.165
244 HD3 LYS 30 1HD LYS 30 -13.286 5.145 -8.536
245 HE2 LYS 30 2HE LYS 30 -13.830 5.324 -10.912
246 HE3 LYS 30 1HE LYS 30 -15.530 5.036 -10.548
247 HZ1 LYS 30 3HZ LYS 30 -15.055 7.390 -10.838
248 HZ2 LYS 30 1HZ LYS 30 -13.933 7.341 -9.572
249 HZ3 LYS 30 2HZ LYS 30 -15.573 7.070 -9.260
250 H ASP 31 HN ASP 31 -15.447 0.262 -6.648
251 HA ASP 31 HA ASP 31 -18.086 0.896 -7.799
252 HB2 ASP 31 2HB ASP 31 -16.771 -0.502 -9.315
253 HB3 ASP 31 1HB ASP 31 -16.475 -1.660 -8.021
254 H GLY 32 HN GLY 32 -18.021 1.339 -5.230
255 HA2 GLY 32 2HA GLY 32 -19.516 -0.881 -4.069
256 HA3 GLY 32 1HA GLY 32 -18.060 -0.373 -3.217
257 H GLY 33 HN GLY 33 -19.506 0.043 -1.439
258 HA2 GLY 33 2HA GLY 33 -20.422 2.807 -1.492
259 HA3 GLY 33 1HA GLY 33 -21.640 1.594 -1.125
260 H ASP 34 HN ASP 34 -18.308 1.236 -0.147
261 HA ASP 34 HA ASP 34 -18.923 2.097 2.575
262 HB2 ASP 34 2HB ASP 34 -17.867 -0.668 1.929
263 HB3 ASP 34 1HB ASP 34 -18.098 -0.003 3.544
264 H CYS 35 HN CYS 35 -16.818 1.697 3.968
265 HA CYS 35 HA CYS 35 -14.428 2.246 2.358
266 HG CYS 35 HG CYS 35 -16.807 4.979 2.663
267 HB2 CYS 35 2HB CYS 35 -15.392 3.924 4.682
268 HB3 CYS 35 1HB CYS 35 -13.797 4.063 3.952
269 H GLU 36 HN GLU 36 -12.762 1.039 2.981
270 HA GLU 36 HA GLU 36 -12.502 0.257 5.786
271 HB2 GLU 36 2HB GLU 36 -13.755 -1.548 4.598
272 HB3 GLU 36 1HB GLU 36 -12.372 -1.751 3.532
273 HG2 GLU 36 2HG GLU 36 -12.408 -3.431 5.293
274 HG3 GLU 36 1HG GLU 36 -10.984 -2.398 5.410
275 H TRP 37 HN TRP 37 -10.359 -0.754 6.231
276 HA TRP 37 HA TRP 37 -8.302 0.646 4.710
277 HD1 TRP 37 HD1 TRP 37 -8.908 2.580 5.831
278 HE1 TRP 37 HE1 TRP 37 -9.762 4.101 7.723
279 HE3 TRP 37 HE3 TRP 37 -8.023 -0.506 9.808
280 HZ2 TRP 37 HZ2 TRP 37 -10.024 4.003 10.532
281 HZ3 TRP 37 HZ3 TRP 37 -8.604 0.283 12.065
282 HH2 TRP 37 HH2 TRP 37 -9.583 2.492 12.418
283 HB2 TRP 37 2HB TRP 37 -8.075 -0.861 7.320
284 HB3 TRP 37 1HB TRP 37 -6.851 0.180 6.606
285 H VAL 38 HN VAL 38 -6.511 -0.344 3.824
286 HA VAL 38 HA VAL 38 -6.867 -3.151 3.136
287 HB VAL 38 HB VAL 38 -4.709 -1.249 2.206
288 HG11 VAL 38 1HG1 VAL 38 -3.895 -3.349 1.718
289 HG12 VAL 38 2HG1 VAL 38 -4.809 -2.988 0.254
290 HG13 VAL 38 3HG1 VAL 38 -5.502 -4.033 1.487
291 HG21 VAL 38 3HG2 VAL 38 -7.275 -0.813 1.696
292 HG22 VAL 38 1HG2 VAL 38 -6.977 -2.032 0.459
293 HG23 VAL 38 2HG2 VAL 38 -6.023 -0.549 0.483
294 H LYS 39 HN LYS 39 -4.978 -4.620 3.251
295 HA LYS 39 HA LYS 39 -3.960 -4.640 5.870
296 HB2 LYS 39 2HB LYS 39 -4.419 -6.719 4.728
297 HB3 LYS 39 1HB LYS 39 -3.251 -6.329 3.476
298 HG2 LYS 39 2HG LYS 39 -1.432 -6.535 5.028
299 HG3 LYS 39 1HG LYS 39 -2.553 -6.752 6.373
300 HD2 LYS 39 2HD LYS 39 -2.725 -8.619 4.059
301 HD3 LYS 39 1HD LYS 39 -1.394 -8.813 5.200
302 HE2 LYS 39 2HE LYS 39 -3.285 -10.217 5.820
303 HE3 LYS 39 1HE LYS 39 -2.990 -8.980 7.041
304 HZ1 LYS 39 3HZ LYS 39 -5.010 -8.661 4.898
305 HZ2 LYS 39 1HZ LYS 39 -4.842 -7.750 6.312
306 HZ3 LYS 39 2HZ LYS 39 -5.375 -9.352 6.398
307 H GLY 40 HN GLY 40 -2.497 -3.346 6.616
308 HA2 GLY 40 2HA GLY 40 -0.279 -2.503 4.908
309 HA3 GLY 40 1HA GLY 40 -0.739 -1.763 6.432
310 H VAL 41 HN VAL 41 -0.247 -5.173 5.735
311 HA VAL 41 HA VAL 41 2.021 -5.173 7.619
312 HB VAL 41 HB VAL 41 0.439 -7.637 7.032
313 HG11 VAL 41 1HG1 VAL 41 1.179 -8.251 9.288
314 HG12 VAL 41 2HG1 VAL 41 1.998 -6.696 9.430
315 HG13 VAL 41 3HG1 VAL 41 2.532 -7.866 8.224
316 HG21 VAL 41 3HG2 VAL 41 -0.312 -5.545 9.074
317 HG22 VAL 41 1HG2 VAL 41 -0.993 -7.170 8.992
318 HG23 VAL 41 2HG2 VAL 41 -1.262 -6.033 7.671
319 H HIS 42 HN HIS 42 1.418 -5.231 4.428
320 HA HIS 42 HA HIS 42 2.864 -7.561 3.650
321 HD1 HIS 42 HD1 HIS 42 3.354 -7.708 0.128
322 HD2 HIS 42 HD2 HIS 42 -0.198 -8.083 2.250
323 HE1 HIS 42 HE1 HIS 42 2.241 -9.770 -0.781
324 HE2 HIS 42 HE2 HIS 42 0.143 -10.035 0.587
325 HB2 HIS 42 2HB HIS 42 1.238 -5.639 2.357
326 HB3 HIS 42 1HB HIS 42 2.799 -5.658 1.531
327 H VAL 43 HN VAL 43 4.571 -7.287 5.020
328 HA VAL 43 HA VAL 43 6.468 -5.265 4.904
329 HB VAL 43 HB VAL 43 6.441 -6.812 6.729
330 HG11 VAL 43 1HG1 VAL 43 5.712 -8.795 5.476
331 HG12 VAL 43 2HG1 VAL 43 7.096 -9.135 6.513
332 HG13 VAL 43 3HG1 VAL 43 7.324 -8.934 4.778
333 HG21 VAL 43 3HG2 VAL 43 8.611 -5.733 5.983
334 HG22 VAL 43 1HG2 VAL 43 9.040 -7.301 5.299
335 HG23 VAL 43 2HG2 VAL 43 8.755 -7.143 7.032
336 H ALA 44 HN ALA 44 6.412 -4.952 2.557
337 HA ALA 44 HA ALA 44 8.237 -6.697 1.107
338 HB1 ALA 44 3HB ALA 44 6.796 -4.224 0.133
339 HB2 ALA 44 1HB ALA 44 6.182 -5.871 -0.021
340 HB3 ALA 44 2HB ALA 44 7.660 -5.399 -0.858
341 H GLU 45 HN GLU 45 9.501 -5.706 3.162
342 HA GLU 45 HA GLU 45 10.610 -3.232 3.288
343 HB2 GLU 45 2HB GLU 45 11.084 -5.013 4.900
344 HB3 GLU 45 1HB GLU 45 12.057 -5.854 3.701
345 HG2 GLU 45 2HG GLU 45 13.644 -4.019 3.672
346 HG3 GLU 45 1HG GLU 45 12.655 -3.130 4.831
347 H ASP 46 HN ASP 46 11.274 -5.715 0.966
348 HA ASP 46 HA ASP 46 13.678 -4.593 -0.091
349 HB2 ASP 46 2HB ASP 46 13.250 -6.063 -2.029
350 HB3 ASP 46 1HB ASP 46 13.118 -6.922 -0.498
351 H VAL 47 HN VAL 47 10.268 -4.385 -1.032
352 HA VAL 47 HA VAL 47 10.611 -2.782 -3.299
353 HB VAL 47 HB VAL 47 8.285 -2.808 -1.374
354 HG11 VAL 47 1HG1 VAL 47 8.360 -1.947 -4.262
355 HG12 VAL 47 2HG1 VAL 47 8.371 -0.839 -2.889
356 HG13 VAL 47 3HG1 VAL 47 6.977 -1.882 -3.170
357 HG21 VAL 47 3HG2 VAL 47 7.285 -4.438 -2.838
358 HG22 VAL 47 1HG2 VAL 47 8.869 -5.020 -2.330
359 HG23 VAL 47 2HG2 VAL 47 8.656 -4.342 -3.943
360 H ALA 48 HN ALA 48 10.121 -1.962 0.039
361 HA ALA 48 HA ALA 48 10.111 0.843 -0.087
362 HB1 ALA 48 3HB ALA 48 10.369 0.746 2.326
363 HB2 ALA 48 1HB ALA 48 10.752 -0.972 2.224
364 HB3 ALA 48 2HB ALA 48 9.148 -0.399 1.771
365 H LYS 49 HN LYS 49 12.619 -1.394 1.156
366 HA LYS 49 HA LYS 49 14.600 0.545 1.500
367 HB2 LYS 49 2HB LYS 49 14.606 -2.422 1.191
368 HB3 LYS 49 1HB LYS 49 16.139 -1.576 1.037
369 HG2 LYS 49 2HG LYS 49 15.597 -2.449 3.328
370 HG3 LYS 49 1HG LYS 49 16.011 -0.736 3.241
371 HD2 LYS 49 2HD LYS 49 13.622 -0.169 3.274
372 HD3 LYS 49 1HD LYS 49 13.224 -1.884 3.391
373 HE2 LYS 49 2HE LYS 49 14.402 -2.029 5.515
374 HE3 LYS 49 1HE LYS 49 14.850 -0.327 5.395
375 HZ1 LYS 49 3HZ LYS 49 12.066 -1.348 5.550
376 HZ2 LYS 49 1HZ LYS 49 12.531 0.278 5.512
377 HZ3 LYS 49 2HZ LYS 49 12.931 -0.685 6.844
378 H ASP 50 HN ASP 50 13.557 -1.229 -1.310
379 HA ASP 50 HA ASP 50 15.721 -0.113 -2.898
380 HB2 ASP 50 2HB ASP 50 15.291 -1.729 -4.463
381 HB3 ASP 50 1HB ASP 50 14.691 -2.538 -3.021
382 H TYR 51 HN TYR 51 12.492 0.607 -2.051
383 HA TYR 51 HA TYR 51 11.789 2.018 -4.381
384 HD1 TYR 51 HD1 TYR 51 10.775 0.589 -4.905
385 HD2 TYR 51 HD2 TYR 51 7.801 2.283 -2.369
386 HE1 TYR 51 HE1 TYR 51 9.022 -0.459 -6.264
387 HE2 TYR 51 HE2 TYR 51 6.046 1.234 -3.723
388 HH TYR 51 HH TYR 51 6.703 -1.163 -6.053
389 HB2 TYR 51 2HB TYR 51 10.589 1.602 -1.778
390 HB3 TYR 51 1HB TYR 51 10.222 3.158 -2.474
391 H GLU 52 HN GLU 52 12.460 3.047 -1.097
392 HA GLU 52 HA GLU 52 13.071 5.734 -1.998
393 HB2 GLU 52 2HB GLU 52 12.885 6.431 0.258
394 HB3 GLU 52 1HB GLU 52 11.587 5.275 -0.004
395 HG2 GLU 52 2HG GLU 52 12.959 3.532 1.067
396 HG3 GLU 52 1HG GLU 52 14.204 4.739 1.383
397 H ASP 53 HN ASP 53 14.591 3.175 -0.073
398 HA ASP 53 HA ASP 53 17.100 4.531 0.104
399 HB2 ASP 53 2HB ASP 53 15.939 1.995 1.047
400 HB3 ASP 53 1HB ASP 53 17.676 1.946 0.739
401 H GLY 54 HN GLY 54 15.614 2.475 -2.223
402 HA2 GLY 54 2HA GLY 54 17.946 1.363 -3.387
403 HA3 GLY 54 1HA GLY 54 16.384 1.534 -4.175
404 H LEU 55 HN LEU 55 16.093 4.299 -4.100
405 HA LEU 55 HA LEU 55 17.900 5.054 -6.224
406 HG LEU 55 HG LEU 55 14.795 4.713 -6.398
407 HB2 LEU 55 2HB LEU 55 15.568 6.469 -4.934
408 HB3 LEU 55 1HB LEU 55 16.530 7.173 -6.220
409 HD11 LEU 55 1HD1 LEU 55 14.643 7.385 -7.788
410 HD12 LEU 55 2HD1 LEU 55 13.606 6.852 -6.465
411 HD13 LEU 55 3HD1 LEU 55 13.545 6.023 -8.020
412 HD21 LEU 55 3HD2 LEU 55 16.823 4.356 -7.687
413 HD22 LEU 55 1HD2 LEU 55 16.620 5.921 -8.474
414 HD23 LEU 55 2HD2 LEU 55 15.451 4.633 -8.762
415 H GLU 56 HN GLU 56 16.903 6.645 -3.186
416 HA GLU 56 HA GLU 56 19.355 8.194 -3.179
417 HB2 GLU 56 2HB GLU 56 17.064 8.165 -1.225
418 HB3 GLU 56 1HB GLU 56 18.398 9.305 -1.209
419 HG2 GLU 56 2HG GLU 56 16.329 9.010 -3.374
420 HG3 GLU 56 1HG GLU 56 16.425 10.307 -2.184
421 H TYR 57 HN TYR 57 20.380 5.896 -3.020
422 HA TYR 57 HA TYR 57 20.437 4.765 -0.369
423 HD1 TYR 57 HD1 TYR 57 20.823 1.828 -0.291
424 HD2 TYR 57 HD2 TYR 57 24.227 3.799 -1.913
425 HE1 TYR 57 HE1 TYR 57 22.294 0.328 0.987
426 HE2 TYR 57 HE2 TYR 57 25.706 2.303 -0.641
427 HH TYR 57 HH TYR 57 24.628 -0.521 0.850
428 HB2 TYR 57 2HB TYR 57 20.641 3.274 -2.271
429 HB3 TYR 57 1HB TYR 57 22.045 4.159 -2.859
430 HA ALA 1 HA ALA 1 -14.383 -10.291 2.828
431 H1 ALA 1 1H ALA 1 -16.154 -10.548 5.188
432 H2 ALA 1 2H ALA 1 -14.463 -10.528 5.214
433 H3 ALA 1 3H ALA 1 -15.283 -11.804 4.463
434 HB1 ALA 1 3HB ALA 1 -17.391 -10.177 3.011
435 HB2 ALA 1 1HB ALA 1 -16.449 -11.507 2.338
436 HB3 ALA 1 2HB ALA 1 -16.426 -9.927 1.556
437 HA PRO 2 HA PRO 2 -14.553 -6.140 4.749
438 HB2 PRO 2 1HB PRO 2 -12.309 -6.347 5.232
439 HB3 PRO 2 2HB PRO 2 -12.164 -5.315 3.804
440 HG2 PRO 2 2HG PRO 2 -11.667 -7.104 2.405
441 HG3 PRO 2 1HG PRO 2 -10.903 -7.652 3.909
442 HD2 PRO 2 2HD PRO 2 -12.758 -9.123 2.583
443 HD3 PRO 2 1HD PRO 2 -12.571 -9.179 4.348
444 HA PRO 3 HA PRO 3 -16.022 -4.620 0.716
445 HB2 PRO 3 1HB PRO 3 -18.123 -4.494 1.665
446 HB3 PRO 3 2HB PRO 3 -17.720 -2.774 1.703
447 HG2 PRO 3 2HG PRO 3 -17.101 -2.840 3.944
448 HG3 PRO 3 1HG PRO 3 -18.400 -4.048 3.936
449 HD2 PRO 3 2HD PRO 3 -15.887 -4.589 4.815
450 HD3 PRO 3 1HD PRO 3 -16.928 -5.813 4.061
451 H GLY 4 HN GLY 4 -13.556 -3.848 1.067
452 HA2 GLY 4 2HA GLY 4 -13.320 -1.297 0.084
453 HA3 GLY 4 1HA GLY 4 -13.232 -1.103 1.828
454 H THR 5 HN THR 5 -11.769 -2.821 -0.898
455 HA THR 5 HA THR 5 -9.149 -2.413 0.264
456 HB THR 5 HB THR 5 -8.479 -4.778 0.085
457 HG1 THR 5 HG1 THR 5 -11.208 -5.078 -0.617
458 HG21 THR 5 3HG2 THR 5 -9.631 -5.590 2.083
459 HG22 THR 5 1HG2 THR 5 -10.868 -4.349 1.882
460 HG23 THR 5 2HG2 THR 5 -9.207 -3.887 2.253
461 H ALA 6 HN ALA 6 -7.402 -3.187 -1.202
462 HA ALA 6 HA ALA 6 -8.026 -3.712 -3.949
463 HB1 ALA 6 3HB ALA 6 -7.917 -0.999 -3.150
464 HB2 ALA 6 1HB ALA 6 -8.055 -1.654 -4.781
465 HB3 ALA 6 2HB ALA 6 -6.466 -1.331 -4.094
466 H ARG 7 HN ARG 7 -5.633 -2.887 -5.118
467 HA ARG 7 HA ARG 7 -3.448 -3.790 -3.448
468 HE ARG 7 HE ARG 7 -5.382 -8.253 -2.576
469 HB2 ARG 7 2HB ARG 7 -4.312 -5.400 -5.854
470 HB3 ARG 7 1HB ARG 7 -2.823 -5.649 -4.953
471 HG2 ARG 7 2HG ARG 7 -4.124 -6.192 -2.955
472 HG3 ARG 7 1HG ARG 7 -5.616 -5.948 -3.866
473 HD2 ARG 7 2HD ARG 7 -5.067 -7.774 -5.341
474 HD3 ARG 7 1HD ARG 7 -3.491 -7.965 -4.575
475 HH11 ARG 7 1HH1 ARG 7 -4.524 -9.851 -5.547
476 HH12 ARG 7 2HH1 ARG 7 -5.048 -11.413 -5.011
477 HH21 ARG 7 2HH2 ARG 7 -5.930 -11.671 -2.912
478 HH22 ARG 7 1HH2 ARG 7 -6.075 -10.304 -1.857
479 H ARG 8 HN ARG 8 -1.954 -2.328 -3.860
480 HA ARG 8 HA ARG 8 -1.784 -0.712 -6.111
481 HE ARG 8 HE ARG 8 0.793 -1.710 -0.603
482 HB2 ARG 8 2HB ARG 8 0.689 -0.468 -5.286
483 HB3 ARG 8 1HB ARG 8 -0.638 0.156 -4.318
484 HG2 ARG 8 2HG ARG 8 0.060 -2.618 -3.711
485 HG3 ARG 8 1HG ARG 8 1.359 -1.462 -3.405
486 HD2 ARG 8 2HD ARG 8 -0.126 -0.123 -2.031
487 HD3 ARG 8 1HD ARG 8 -1.463 -1.207 -2.378
488 HH11 ARG 8 1HH1 ARG 8 -2.126 -2.965 -2.082
489 HH12 ARG 8 2HH1 ARG 8 -2.296 -4.238 -0.929
490 HH21 ARG 8 2HH2 ARG 8 -0.794 -4.477 0.756
491 HH22 ARG 8 1HH2 ARG 8 0.537 -3.381 0.901
492 H LYS 9 HN LYS 9 0.066 -3.673 -5.342
493 HA LYS 9 HA LYS 9 0.449 -4.102 -8.183
494 HB2 LYS 9 2HB LYS 9 2.761 -3.744 -6.265
495 HB3 LYS 9 1HB LYS 9 2.922 -4.432 -7.875
496 HG2 LYS 9 2HG LYS 9 2.088 -2.331 -8.841
497 HG3 LYS 9 1HG LYS 9 1.990 -1.645 -7.217
498 HD2 LYS 9 2HD LYS 9 4.397 -1.935 -6.940
499 HD3 LYS 9 1HD LYS 9 4.505 -2.662 -8.546
500 HE2 LYS 9 2HE LYS 9 3.684 -0.564 -9.530
501 HE3 LYS 9 1HE LYS 9 3.624 0.156 -7.921
502 HZ1 LYS 9 3HZ LYS 9 5.636 0.800 -9.051
503 HZ2 LYS 9 1HZ LYS 9 6.059 -0.817 -9.316
504 HZ3 LYS 9 2HZ LYS 9 6.027 -0.197 -7.743
505 H ARG 10 HN ARG 10 2.160 -6.171 -8.246
506 HA ARG 10 HA ARG 10 0.705 -8.381 -7.434
507 HE ARG 10 HE ARG 10 6.565 -7.364 -7.850
508 HB2 ARG 10 2HB ARG 10 2.812 -9.651 -7.820
509 HB3 ARG 10 1HB ARG 10 2.432 -8.533 -9.127
510 HG2 ARG 10 2HG ARG 10 4.118 -7.054 -8.525
511 HG3 ARG 10 1HG ARG 10 4.247 -7.714 -6.896
512 HD2 ARG 10 2HD ARG 10 5.152 -9.805 -7.856
513 HD3 ARG 10 1HD ARG 10 5.089 -9.072 -9.458
514 HH11 ARG 10 1HH1 ARG 10 6.786 -10.630 -9.038
515 HH12 ARG 10 2HH1 ARG 10 8.519 -10.654 -9.026
516 HH21 ARG 10 2HH2 ARG 10 9.688 -8.810 -8.336
517 HH22 ARG 10 1HH2 ARG 10 8.843 -7.385 -7.828
518 H LYS 11 HN LYS 11 3.060 -6.478 -5.741
519 HA LYS 11 HA LYS 11 3.492 -6.312 -3.501
520 HB2 LYS 11 2HB LYS 11 2.027 -8.908 -3.045
521 HB3 LYS 11 1HB LYS 11 2.446 -7.682 -1.862
522 HG2 LYS 11 2HG LYS 11 0.903 -6.117 -3.004
523 HG3 LYS 11 1HG LYS 11 0.412 -7.442 -4.063
524 HD2 LYS 11 2HD LYS 11 -0.313 -8.728 -2.114
525 HD3 LYS 11 1HD LYS 11 0.181 -7.405 -1.057
526 HE2 LYS 11 2HE LYS 11 -1.459 -5.938 -2.104
527 HE3 LYS 11 1HE LYS 11 -1.928 -7.231 -3.208
528 HZ1 LYS 11 3HZ LYS 11 -2.183 -7.374 -0.253
529 HZ2 LYS 11 1HZ LYS 11 -2.746 -8.511 -1.372
530 HZ3 LYS 11 2HZ LYS 11 -3.445 -6.973 -1.304
531 H ALA 12 HN ALA 12 5.624 -6.562 -3.631
532 HA ALA 12 HA ALA 12 7.102 -8.725 -4.444
533 HB1 ALA 12 3HB ALA 12 8.071 -6.531 -4.020
534 HB2 ALA 12 1HB ALA 12 8.966 -7.788 -3.168
535 HB3 ALA 12 2HB ALA 12 7.844 -6.755 -2.285
536 H ASP 13 HN ASP 13 5.394 -8.328 -1.454
537 HA ASP 13 HA ASP 13 6.644 -10.775 -0.401
538 HB2 ASP 13 2HB ASP 13 6.802 -8.766 1.047
539 HB3 ASP 13 1HB ASP 13 5.044 -8.685 1.093
540 H SER 14 HN SER 14 4.876 -11.249 -2.372
541 HA SER 14 HA SER 14 2.205 -11.607 -1.388
542 HG SER 14 HG SER 14 4.413 -12.226 -4.367
543 HB2 SER 14 2HB SER 14 1.802 -12.747 -3.534
544 HB3 SER 14 1HB SER 14 2.623 -11.205 -3.775
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 8.264 4.548 -6.681
2 H2 GLY 1 2H GLY 1 8.457 3.568 -5.315
3 H3 GLY 1 3H GLY 1 8.339 2.867 -6.848
4 HA2 GLY 1 1HA GLY 1 10.634 2.877 -6.040
5 HA3 GLY 1 2HA GLY 1 10.425 3.790 -7.527
6 H SER 2 HN SER 2 9.464 4.865 -4.302
7 HA SER 2 HA SER 2 11.710 6.351 -3.623
8 HG SER 2 HG SER 2 9.387 8.883 -5.800
9 HB2 SER 2 2HB SER 2 11.056 8.630 -4.269
10 HB3 SER 2 1HB SER 2 11.321 7.610 -5.681
11 H GLN 3 HN GLN 3 8.214 6.146 -3.614
12 HA GLN 3 HA GLN 3 8.042 7.487 -1.058
13 HB2 GLN 3 2HB GLN 3 5.958 6.203 -2.790
14 HB3 GLN 3 1HB GLN 3 5.607 6.998 -1.268
15 HG2 GLN 3 2HG GLN 3 6.485 9.096 -2.180
16 HG3 GLN 3 1HG GLN 3 6.790 8.287 -3.716
17 HE21 GLN 3 2HE2 GLN 3 3.483 10.122 -3.612
18 HE22 GLN 3 1HE2 GLN 3 5.066 10.565 -3.083
19 H VAL 4 HN VAL 4 7.606 6.505 0.873
20 HA VAL 4 HA VAL 4 8.197 3.666 0.988
21 HB VAL 4 HB VAL 4 9.359 5.181 2.529
22 HG11 VAL 4 1HG1 VAL 4 8.173 6.265 4.360
23 HG12 VAL 4 2HG1 VAL 4 6.635 5.691 3.718
24 HG13 VAL 4 3HG1 VAL 4 7.596 6.849 2.799
25 HG21 VAL 4 3HG2 VAL 4 8.239 3.930 4.691
26 HG22 VAL 4 1HG2 VAL 4 9.465 3.238 3.629
27 HG23 VAL 4 2HG2 VAL 4 7.763 2.888 3.352
28 H PHE 5 HN PHE 5 5.819 3.955 -0.215
29 HA PHE 5 HA PHE 5 4.096 2.364 1.270
30 1HB PHE 5 2HB PHE 5 2.282 4.246 1.567
31 2HB PHE 5 1HB PHE 5 3.513 3.996 2.789
32 HD1 PHE 5 HD1 PHE 5 3.783 4.901 3.608
33 HD2 PHE 5 HD2 PHE 5 4.040 6.631 -0.272
34 HE1 PHE 5 HE1 PHE 5 6.198 5.251 3.927
35 HE2 PHE 5 HE2 PHE 5 6.455 6.981 0.040
36 HZ PHE 5 HZ PHE 5 4.818 9.438 1.322
37 H GLU 6 HN GLU 6 2.303 1.721 0.075
38 HA GLU 6 HA GLU 6 1.891 3.053 -2.522
39 HB2 GLU 6 2HB GLU 6 2.304 0.164 -1.907
40 HB3 GLU 6 1HB GLU 6 1.202 0.593 -3.207
41 HG2 GLU 6 2HG GLU 6 2.962 1.865 -4.295
42 HG3 GLU 6 1HG GLU 6 4.079 1.434 -3.001
43 H TYR 7 HN TYR 7 -0.216 3.222 -3.261
44 HA TYR 7 HA TYR 7 -2.220 2.794 -1.235
45 HD1 TYR 7 HD1 TYR 7 -4.014 3.268 -5.005
46 HD2 TYR 7 HD2 TYR 7 -0.518 5.456 -3.967
47 HE1 TYR 7 HE1 TYR 7 -3.529 3.613 -7.392
48 HE2 TYR 7 HE2 TYR 7 -0.021 5.805 -6.349
49 HH TYR 7 HH TYR 7 -0.529 4.790 -8.503
50 HB2 TYR 7 2HB TYR 7 -3.658 4.123 -2.710
51 HB3 TYR 7 1HB TYR 7 -2.173 4.957 -2.305
52 H ALA 8 HN ALA 8 -3.197 0.979 -1.093
53 HA ALA 8 HA ALA 8 -3.673 -0.616 -3.513
54 HB1 ALA 8 3HB ALA 8 -3.417 -1.254 -0.605
55 HB2 ALA 8 1HB ALA 8 -2.661 -2.028 -1.998
56 HB3 ALA 8 2HB ALA 8 -4.362 -2.318 -1.641
57 H GLU 9 HN GLU 9 -5.297 1.427 -3.640
58 HA GLU 9 HA GLU 9 -7.836 0.520 -2.496
59 HB2 GLU 9 2HB GLU 9 -8.429 2.635 -1.968
60 HB3 GLU 9 1HB GLU 9 -6.697 2.780 -1.833
61 HG2 GLU 9 2HG GLU 9 -8.368 3.624 -4.182
62 HG3 GLU 9 1HG GLU 9 -7.676 4.689 -2.963
63 H VAL 10 HN VAL 10 -9.729 1.190 -3.588
64 HA VAL 10 HA VAL 10 -9.435 0.486 -6.332
65 HB VAL 10 HB VAL 10 -11.871 0.712 -4.660
66 HG11 VAL 10 1HG1 VAL 10 -13.157 0.162 -6.441
67 HG12 VAL 10 2HG1 VAL 10 -11.936 -0.929 -7.092
68 HG13 VAL 10 3HG1 VAL 10 -11.808 0.805 -7.379
69 HG21 VAL 10 3HG2 VAL 10 -10.009 -1.512 -5.306
70 HG22 VAL 10 1HG2 VAL 10 -11.707 -1.863 -4.994
71 HG23 VAL 10 2HG2 VAL 10 -10.733 -1.064 -3.761
72 H ASP 11 HN ASP 11 -10.355 3.235 -4.450
73 HA ASP 11 HA ASP 11 -10.271 4.859 -6.853
74 HB2 ASP 11 2HB ASP 11 -12.588 4.418 -6.903
75 HB3 ASP 11 1HB ASP 11 -12.760 4.606 -5.166
76 H GLU 12 HN GLU 12 -10.452 4.707 -3.329
77 HA GLU 12 HA GLU 12 -8.812 7.097 -3.181
78 HB2 GLU 12 2HB GLU 12 -11.604 7.033 -2.052
79 HB3 GLU 12 1HB GLU 12 -10.382 8.174 -1.509
80 HG2 GLU 12 2HG GLU 12 -10.194 9.027 -3.810
81 HG3 GLU 12 1HG GLU 12 -11.475 7.922 -4.302
82 H ILE 13 HN ILE 13 -8.158 7.601 -0.901
83 HA ILE 13 HA ILE 13 -8.372 5.309 0.915
84 HB ILE 13 HB ILE 13 -6.006 5.089 1.279
85 HG12 ILE 13 2HG1 ILE 13 -5.477 7.536 1.133
86 HG13 ILE 13 1HG1 ILE 13 -4.346 6.543 0.219
87 HG21 ILE 13 1HG2 ILE 13 -7.195 4.509 -1.099
88 HG22 ILE 13 2HG2 ILE 13 -5.610 3.954 -0.596
89 HG23 ILE 13 3HG2 ILE 13 -5.761 5.381 -1.618
90 HD11 ILE 13 3HD1 ILE 13 -5.972 7.052 -1.761
91 HD12 ILE 13 1HD1 ILE 13 -4.752 8.230 -1.265
92 HD13 ILE 13 2HD1 ILE 13 -6.426 8.427 -0.749
93 H VAL 14 HN VAL 14 -6.700 6.114 2.905
94 HA VAL 14 HA VAL 14 -7.159 8.912 3.514
95 HB VAL 14 HB VAL 14 -8.371 6.707 5.190
96 HG11 VAL 14 1HG1 VAL 14 -7.283 8.289 6.677
97 HG12 VAL 14 2HG1 VAL 14 -9.034 8.486 6.765
98 HG13 VAL 14 3HG1 VAL 14 -8.062 9.638 5.848
99 HG21 VAL 14 3HG2 VAL 14 -10.456 7.867 4.811
100 HG22 VAL 14 1HG2 VAL 14 -9.692 7.511 3.262
101 HG23 VAL 14 2HG2 VAL 14 -9.621 9.143 3.925
102 H GLU 15 HN GLU 15 -6.153 5.802 4.901
103 HA GLU 15 HA GLU 15 -3.976 7.127 6.326
104 HB2 GLU 15 2HB GLU 15 -5.275 5.461 7.556
105 HB3 GLU 15 1HB GLU 15 -4.902 4.245 6.342
106 HG2 GLU 15 2HG GLU 15 -3.537 3.958 8.329
107 HG3 GLU 15 1HG GLU 15 -2.544 4.362 6.929
108 H LYS 16 HN LYS 16 -1.826 6.877 5.797
109 HA LYS 16 HA LYS 16 -1.072 4.925 3.779
110 HB2 LYS 16 2HB LYS 16 0.054 6.773 2.421
111 HB3 LYS 16 1HB LYS 16 -1.694 6.648 2.288
112 HG2 LYS 16 2HG LYS 16 -1.952 8.504 3.844
113 HG3 LYS 16 1HG LYS 16 -0.198 8.614 4.012
114 HD2 LYS 16 2HD LYS 16 -0.997 10.298 2.458
115 HD3 LYS 16 1HD LYS 16 -0.019 9.102 1.605
116 HE2 LYS 16 2HE LYS 16 -2.053 7.980 0.843
117 HE3 LYS 16 1HE LYS 16 -3.034 9.164 1.706
118 HZ1 LYS 16 3HZ LYS 16 -2.881 9.712 -0.632
119 HZ2 LYS 16 1HZ LYS 16 -1.190 9.746 -0.549
120 HZ3 LYS 16 2HZ LYS 16 -2.101 10.897 0.290
121 H ARG 17 HN ARG 17 0.360 4.062 5.380
122 HA ARG 17 HA ARG 17 2.840 5.507 5.677
123 HE ARG 17 HE ARG 17 2.901 7.871 7.607
124 HB2 ARG 17 2HB ARG 17 1.572 6.452 7.538
125 HB3 ARG 17 1HB ARG 17 1.205 4.837 8.129
126 HG2 ARG 17 2HG ARG 17 2.986 5.867 9.424
127 HG3 ARG 17 1HG ARG 17 3.575 4.446 8.557
128 HD2 ARG 17 2HD ARG 17 5.169 6.294 8.428
129 HD3 ARG 17 1HD ARG 17 4.535 5.878 6.836
130 HH11 ARG 17 1HH1 ARG 17 6.369 7.562 7.558
131 HH12 ARG 17 2HH1 ARG 17 6.645 9.252 7.303
132 HH21 ARG 17 2HH2 ARG 17 4.872 10.695 7.139
133 HH22 ARG 17 1HH2 ARG 17 3.252 10.098 7.269
134 H GLY 18 HN GLY 18 3.808 3.725 4.621
135 HA2 GLY 18 2HA GLY 18 4.179 1.432 6.364
136 HA3 GLY 18 1HA GLY 18 3.389 1.104 4.839
137 H LYS 19 HN LYS 19 4.730 0.032 3.670
138 HA LYS 19 HA LYS 19 7.481 0.986 3.348
139 HB2 LYS 19 2HB LYS 19 6.277 -1.758 3.385
140 HB3 LYS 19 1HB LYS 19 7.935 -1.455 2.862
141 HG2 LYS 19 2HG LYS 19 8.463 -0.526 5.050
142 HG3 LYS 19 1HG LYS 19 6.804 -0.826 5.576
143 HD2 LYS 19 2HD LYS 19 7.090 -3.184 5.278
144 HD3 LYS 19 1HD LYS 19 8.703 -2.943 4.601
145 HE2 LYS 19 2HE LYS 19 9.460 -2.008 6.731
146 HE3 LYS 19 1HE LYS 19 7.847 -2.223 7.408
147 HZ1 LYS 19 3HZ LYS 19 9.259 -4.005 8.111
148 HZ2 LYS 19 1HZ LYS 19 9.687 -4.371 6.516
149 HZ3 LYS 19 2HZ LYS 19 8.100 -4.624 7.047
150 H GLY 20 HN GLY 20 7.015 -1.494 1.224
151 HA2 GLY 20 2HA GLY 20 6.436 0.331 -0.957
152 HA3 GLY 20 1HA GLY 20 7.071 -1.306 -1.088
153 H LYS 21 HN LYS 21 5.441 -2.591 0.580
154 HA LYS 21 HA LYS 21 2.721 -2.235 -0.439
155 HB2 LYS 21 2HB LYS 21 4.448 -4.205 -1.330
156 HB3 LYS 21 1HB LYS 21 3.478 -5.034 -0.124
157 HG2 LYS 21 2HG LYS 21 2.277 -3.400 -2.332
158 HG3 LYS 21 1HG LYS 21 2.638 -5.121 -2.495
159 HD2 LYS 21 2HD LYS 21 0.461 -5.251 -1.797
160 HD3 LYS 21 1HD LYS 21 1.274 -5.257 -0.232
161 HE2 LYS 21 2HE LYS 21 0.922 -2.828 -0.061
162 HE3 LYS 21 1HE LYS 21 0.073 -2.854 -1.605
163 HZ1 LYS 21 3HZ LYS 21 -0.760 -4.235 0.888
164 HZ2 LYS 21 1HZ LYS 21 -1.553 -4.374 -0.600
165 HZ3 LYS 21 2HZ LYS 21 -1.500 -2.882 0.193
166 H ASP 22 HN ASP 22 4.625 -2.397 2.262
167 HA ASP 22 HA ASP 22 2.904 -3.956 3.917
168 HB2 ASP 22 2HB ASP 22 5.433 -3.808 4.203
169 HB3 ASP 22 1HB ASP 22 5.156 -2.195 4.830
170 H VAL 23 HN VAL 23 2.410 -1.148 2.636
171 HA VAL 23 HA VAL 23 1.680 0.335 4.986
172 HB VAL 23 HB VAL 23 2.650 1.338 2.887
173 HG11 VAL 23 1HG1 VAL 23 0.865 2.051 1.233
174 HG12 VAL 23 2HG1 VAL 23 -0.160 0.804 1.925
175 HG13 VAL 23 3HG1 VAL 23 1.364 0.363 1.154
176 HG21 VAL 23 3HG2 VAL 23 0.168 2.811 3.434
177 HG22 VAL 23 1HG2 VAL 23 1.850 3.329 3.555
178 HG23 VAL 23 2HG2 VAL 23 1.125 2.364 4.842
179 H GLU 24 HN GLU 24 -0.380 1.059 5.461
180 HA GLU 24 HA GLU 24 -2.498 -0.725 4.478
181 HB2 GLU 24 2HB GLU 24 -3.687 -0.009 6.621
182 HB3 GLU 24 1HB GLU 24 -2.308 -1.084 6.795
183 HG2 GLU 24 2HG GLU 24 -0.899 0.851 7.360
184 HG3 GLU 24 1HG GLU 24 -2.317 1.893 7.240
185 H TYR 25 HN TYR 25 -3.467 0.368 2.861
186 HA TYR 25 HA TYR 25 -4.118 3.196 3.219
187 HD1 TYR 25 HD1 TYR 25 -3.888 4.730 -0.197
188 HD2 TYR 25 HD2 TYR 25 -1.378 2.298 2.211
189 HE1 TYR 25 HE1 TYR 25 -2.042 6.304 -0.561
190 HE2 TYR 25 HE2 TYR 25 0.476 3.861 1.852
191 HH TYR 25 HH TYR 25 1.172 5.553 0.208
192 HB2 TYR 25 2HB TYR 25 -3.597 1.474 0.856
193 HB3 TYR 25 1HB TYR 25 -4.750 2.787 0.666
194 H LEU 26 HN LEU 26 -6.280 3.901 2.737
195 HA LEU 26 HA LEU 26 -8.285 1.878 3.332
196 HG LEU 26 HG LEU 26 -10.614 3.328 2.779
197 HB2 LEU 26 2HB LEU 26 -8.411 3.934 4.618
198 HB3 LEU 26 1HB LEU 26 -8.412 4.897 3.154
199 HD11 LEU 26 1HD1 LEU 26 -10.480 3.976 5.708
200 HD12 LEU 26 2HD1 LEU 26 -10.484 2.368 4.990
201 HD13 LEU 26 3HD1 LEU 26 -11.905 3.397 4.847
202 HD21 LEU 26 3HD2 LEU 26 -10.709 5.938 4.240
203 HD22 LEU 26 1HD2 LEU 26 -11.868 5.289 3.082
204 HD23 LEU 26 2HD2 LEU 26 -10.277 5.817 2.534
205 H VAL 27 HN VAL 27 -10.190 1.657 1.952
206 HA VAL 27 HA VAL 27 -9.780 2.774 -0.698
207 HB VAL 27 HB VAL 27 -9.296 0.974 -1.723
208 HG11 VAL 27 1HG1 VAL 27 -8.528 -1.007 -0.576
209 HG12 VAL 27 2HG1 VAL 27 -9.380 -0.501 0.882
210 HG13 VAL 27 3HG1 VAL 27 -8.025 0.454 0.277
211 HG21 VAL 27 3HG2 VAL 27 -11.619 -0.453 -0.450
212 HG22 VAL 27 1HG2 VAL 27 -10.631 -1.114 -1.752
213 HG23 VAL 27 2HG2 VAL 27 -11.597 0.336 -2.025
214 H ARG 28 HN ARG 28 -11.377 3.985 -1.093
215 HA ARG 28 HA ARG 28 -14.075 3.279 -0.318
216 HE ARG 28 HE ARG 28 -11.569 7.948 0.797
217 HB2 ARG 28 2HB ARG 28 -13.325 5.451 -2.246
218 HB3 ARG 28 1HB ARG 28 -14.708 5.396 -1.162
219 HG2 ARG 28 2HG ARG 28 -13.100 5.621 0.748
220 HG3 ARG 28 1HG ARG 28 -11.834 5.922 -0.443
221 HD2 ARG 28 2HD ARG 28 -13.213 7.813 -1.316
222 HD3 ARG 28 1HD ARG 28 -14.322 7.554 0.030
223 HH11 ARG 28 1HH1 ARG 28 -14.636 9.466 0.143
224 HH12 ARG 28 2HH1 ARG 28 -14.280 10.880 1.076
225 HH21 ARG 28 2HH2 ARG 28 -12.263 11.074 2.146
226 HH22 ARG 28 1HH2 ARG 28 -11.090 9.805 2.024
227 H TRP 29 HN TRP 29 -13.979 1.282 -1.349
228 HA TRP 29 HA TRP 29 -13.378 0.344 -3.705
229 HD1 TRP 29 HD1 TRP 29 -13.480 -1.131 -5.031
230 HE1 TRP 29 HE1 TRP 29 -13.595 -3.634 -5.622
231 HE3 TRP 29 HE3 TRP 29 -16.976 -2.613 -1.607
232 HZ2 TRP 29 HZ2 TRP 29 -14.987 -5.934 -4.752
233 HZ3 TRP 29 HZ3 TRP 29 -17.646 -4.980 -1.554
234 HH2 TRP 29 HH2 TRP 29 -16.672 -6.604 -3.094
235 HB2 TRP 29 2HB TRP 29 -15.086 -0.451 -1.817
236 HB3 TRP 29 1HB TRP 29 -16.249 -0.055 -3.076
237 H LYS 30 HN LYS 30 -13.123 1.886 -5.239
238 HA LYS 30 HA LYS 30 -14.513 3.758 -6.428
239 HB2 LYS 30 2HB LYS 30 -12.567 2.597 -7.470
240 HB3 LYS 30 1HB LYS 30 -13.664 1.373 -8.078
241 HG2 LYS 30 2HG LYS 30 -14.869 3.136 -9.329
242 HG3 LYS 30 1HG LYS 30 -13.653 4.297 -8.792
243 HD2 LYS 30 2HD LYS 30 -11.911 2.957 -9.892
244 HD3 LYS 30 1HD LYS 30 -13.145 1.827 -10.450
245 HE2 LYS 30 2HE LYS 30 -12.937 4.749 -11.169
246 HE3 LYS 30 1HE LYS 30 -12.544 3.387 -12.217
247 HZ1 LYS 30 3HZ LYS 30 -14.866 2.690 -12.096
248 HZ2 LYS 30 1HZ LYS 30 -14.730 4.257 -12.719
249 HZ3 LYS 30 2HZ LYS 30 -15.233 4.023 -11.120
250 H ASP 31 HN ASP 31 -15.594 0.400 -6.586
251 HA ASP 31 HA ASP 31 -18.186 1.341 -7.624
252 HB2 ASP 31 2HB ASP 31 -16.806 -1.309 -8.126
253 HB3 ASP 31 1HB ASP 31 -18.454 -0.934 -8.620
254 H GLY 32 HN GLY 32 -18.088 1.605 -5.075
255 HA2 GLY 32 2HA GLY 32 -19.650 -0.623 -4.009
256 HA3 GLY 32 1HA GLY 32 -18.181 -0.182 -3.143
257 H GLY 33 HN GLY 33 -19.629 0.191 -1.346
258 HA2 GLY 33 2HA GLY 33 -20.588 2.964 -1.373
259 HA3 GLY 33 1HA GLY 33 -21.694 1.701 -0.851
260 H ASP 34 HN ASP 34 -18.404 1.152 -0.094
261 HA ASP 34 HA ASP 34 -18.704 2.299 2.585
262 HB2 ASP 34 2HB ASP 34 -17.945 -0.567 1.981
263 HB3 ASP 34 1HB ASP 34 -17.786 0.191 3.564
264 H CYS 35 HN CYS 35 -16.495 1.825 3.813
265 HA CYS 35 HA CYS 35 -14.214 2.049 2.012
266 HG CYS 35 HG CYS 35 -15.177 6.123 2.185
267 HB2 CYS 35 2HB CYS 35 -14.828 4.161 4.090
268 HB3 CYS 35 1HB CYS 35 -13.405 4.105 3.055
269 H GLU 36 HN GLU 36 -12.962 0.454 2.749
270 HA GLU 36 HA GLU 36 -12.564 0.246 5.663
271 HB2 GLU 36 2HB GLU 36 -12.215 -2.016 3.706
272 HB3 GLU 36 1HB GLU 36 -12.269 -2.108 5.459
273 HG2 GLU 36 2HG GLU 36 -14.558 -1.421 3.633
274 HG3 GLU 36 1HG GLU 36 -14.332 -2.925 4.524
275 H TRP 37 HN TRP 37 -10.447 -0.777 6.247
276 HA TRP 37 HA TRP 37 -8.333 0.621 4.839
277 HD1 TRP 37 HD1 TRP 37 -8.788 2.490 5.863
278 HE1 TRP 37 HE1 TRP 37 -9.402 4.170 7.716
279 HE3 TRP 37 HE3 TRP 37 -8.025 -0.494 9.938
280 HZ2 TRP 37 HZ2 TRP 37 -9.539 4.219 10.539
281 HZ3 TRP 37 HZ3 TRP 37 -8.416 0.443 12.180
282 HH2 TRP 37 HH2 TRP 37 -9.156 2.752 12.472
283 HB2 TRP 37 2HB TRP 37 -8.333 -0.948 7.423
284 HB3 TRP 37 1HB TRP 37 -6.931 -0.110 6.769
285 H VAL 38 HN VAL 38 -6.543 -0.296 3.938
286 HA VAL 38 HA VAL 38 -6.804 -3.073 3.102
287 HB VAL 38 HB VAL 38 -4.738 -0.991 2.362
288 HG11 VAL 38 1HG1 VAL 38 -4.326 -2.606 0.443
289 HG12 VAL 38 2HG1 VAL 38 -5.193 -3.801 1.403
290 HG13 VAL 38 3HG1 VAL 38 -3.709 -3.079 2.023
291 HG21 VAL 38 3HG2 VAL 38 -6.864 -2.049 0.556
292 HG22 VAL 38 1HG2 VAL 38 -5.953 -0.546 0.443
293 HG23 VAL 38 2HG2 VAL 38 -7.213 -0.729 1.665
294 H LYS 39 HN LYS 39 -4.885 -4.509 3.202
295 HA LYS 39 HA LYS 39 -3.897 -4.541 5.862
296 HB2 LYS 39 2HB LYS 39 -4.518 -6.611 4.727
297 HB3 LYS 39 1HB LYS 39 -3.253 -6.345 3.536
298 HG2 LYS 39 2HG LYS 39 -1.558 -6.557 5.282
299 HG3 LYS 39 1HG LYS 39 -2.828 -6.823 6.478
300 HD2 LYS 39 2HD LYS 39 -3.551 -8.821 5.215
301 HD3 LYS 39 1HD LYS 39 -2.210 -8.570 4.097
302 HE2 LYS 39 2HE LYS 39 -0.621 -8.838 5.931
303 HE3 LYS 39 1HE LYS 39 -1.954 -9.065 7.061
304 HZ1 LYS 39 3HZ LYS 39 -1.009 -11.178 6.399
305 HZ2 LYS 39 1HZ LYS 39 -1.304 -10.838 4.768
306 HZ3 LYS 39 2HZ LYS 39 -2.598 -11.052 5.836
307 H GLY 40 HN GLY 40 -2.460 -3.119 6.439
308 HA2 GLY 40 2HA GLY 40 -0.170 -2.594 4.719
309 HA3 GLY 40 1HA GLY 40 -0.603 -1.684 6.158
310 H VAL 41 HN VAL 41 -0.130 -5.136 5.608
311 HA VAL 41 HA VAL 41 2.069 -5.088 7.570
312 HB VAL 41 HB VAL 41 0.525 -7.587 7.044
313 HG11 VAL 41 1HG1 VAL 41 2.538 -7.769 8.340
314 HG12 VAL 41 2HG1 VAL 41 1.151 -8.032 9.398
315 HG13 VAL 41 3HG1 VAL 41 2.003 -6.488 9.427
316 HG21 VAL 41 3HG2 VAL 41 -0.996 -7.047 8.923
317 HG22 VAL 41 1HG2 VAL 41 -1.236 -5.999 7.526
318 HG23 VAL 41 2HG2 VAL 41 -0.356 -5.404 8.933
319 H HIS 42 HN HIS 42 1.426 -5.320 4.370
320 HA HIS 42 HA HIS 42 2.952 -7.608 3.673
321 HD1 HIS 42 HD1 HIS 42 -0.184 -7.252 0.983
322 HD2 HIS 42 HD2 HIS 42 3.657 -8.796 1.350
323 HE1 HIS 42 HE1 HIS 42 -0.247 -9.488 -0.163
324 HE2 HIS 42 HE2 HIS 42 2.062 -10.446 0.155
325 HB2 HIS 42 2HB HIS 42 1.260 -5.786 2.329
326 HB3 HIS 42 1HB HIS 42 2.827 -5.728 1.525
327 H VAL 43 HN VAL 43 4.641 -7.289 5.006
328 HA VAL 43 HA VAL 43 6.458 -5.205 5.000
329 HB VAL 43 HB VAL 43 6.937 -8.126 5.560
330 HG11 VAL 43 1HG1 VAL 43 8.741 -6.824 7.100
331 HG12 VAL 43 2HG1 VAL 43 8.745 -5.812 5.654
332 HG13 VAL 43 3HG1 VAL 43 9.106 -7.532 5.526
333 HG21 VAL 43 3HG2 VAL 43 5.228 -7.148 6.975
334 HG22 VAL 43 1HG2 VAL 43 6.308 -5.818 7.395
335 HG23 VAL 43 2HG2 VAL 43 6.689 -7.461 7.909
336 H ALA 44 HN ALA 44 6.369 -4.831 2.597
337 HA ALA 44 HA ALA 44 8.286 -6.441 1.125
338 HB1 ALA 44 3HB ALA 44 6.710 -4.023 0.242
339 HB2 ALA 44 1HB ALA 44 6.242 -5.704 -0.021
340 HB3 ALA 44 2HB ALA 44 7.689 -5.058 -0.796
341 H GLU 45 HN GLU 45 9.562 -5.478 3.179
342 HA GLU 45 HA GLU 45 10.612 -2.945 3.258
343 HB2 GLU 45 2HB GLU 45 11.127 -4.579 4.970
344 HB3 GLU 45 1HB GLU 45 12.007 -5.568 3.814
345 HG2 GLU 45 2HG GLU 45 13.682 -3.822 3.572
346 HG3 GLU 45 1HG GLU 45 12.791 -2.800 4.699
347 H ASP 46 HN ASP 46 11.230 -5.478 0.997
348 HA ASP 46 HA ASP 46 13.635 -4.398 -0.117
349 HB2 ASP 46 2HB ASP 46 11.601 -6.279 -1.330
350 HB3 ASP 46 1HB ASP 46 13.198 -5.944 -1.990
351 H VAL 47 HN VAL 47 10.197 -4.163 -0.952
352 HA VAL 47 HA VAL 47 10.592 -2.638 -3.309
353 HB VAL 47 HB VAL 47 8.201 -2.759 -1.467
354 HG11 VAL 47 1HG1 VAL 47 8.196 -0.740 -2.877
355 HG12 VAL 47 2HG1 VAL 47 6.911 -1.862 -3.325
356 HG13 VAL 47 3HG1 VAL 47 8.371 -1.754 -4.310
357 HG21 VAL 47 3HG2 VAL 47 9.007 -4.890 -2.568
358 HG22 VAL 47 1HG2 VAL 47 8.565 -4.151 -4.105
359 HG23 VAL 47 2HG2 VAL 47 7.331 -4.437 -2.877
360 H ALA 48 HN ALA 48 10.103 -1.841 0.014
361 HA ALA 48 HA ALA 48 9.943 0.968 -0.145
362 HB1 ALA 48 3HB ALA 48 10.572 -0.815 2.194
363 HB2 ALA 48 1HB ALA 48 8.970 -0.259 1.709
364 HB3 ALA 48 2HB ALA 48 10.170 0.900 2.281
365 H LYS 49 HN LYS 49 12.464 -1.206 1.137
366 HA LYS 49 HA LYS 49 14.430 0.748 1.506
367 HB2 LYS 49 2HB LYS 49 14.578 -1.535 2.437
368 HB3 LYS 49 1HB LYS 49 14.799 -2.179 0.815
369 HG2 LYS 49 2HG LYS 49 16.937 -2.084 1.829
370 HG3 LYS 49 1HG LYS 49 16.871 -0.781 0.639
371 HD2 LYS 49 2HD LYS 49 17.888 0.055 2.653
372 HD3 LYS 49 1HD LYS 49 16.295 0.792 2.472
373 HE2 LYS 49 2HE LYS 49 15.367 -0.808 4.065
374 HE3 LYS 49 1HE LYS 49 16.947 -1.574 4.229
375 HZ1 LYS 49 3HZ LYS 49 16.546 -0.067 6.052
376 HZ2 LYS 49 1HZ LYS 49 16.272 1.218 4.986
377 HZ3 LYS 49 2HZ LYS 49 17.811 0.524 5.100
378 H ASP 50 HN ASP 50 13.352 -0.986 -1.295
379 HA ASP 50 HA ASP 50 15.524 0.035 -2.933
380 HB2 ASP 50 2HB ASP 50 14.554 -2.340 -3.102
381 HB3 ASP 50 1HB ASP 50 13.178 -1.583 -3.902
382 H TYR 51 HN TYR 51 12.280 0.797 -2.064
383 HA TYR 51 HA TYR 51 11.615 2.230 -4.391
384 HD1 TYR 51 HD1 TYR 51 10.625 0.714 -4.939
385 HD2 TYR 51 HD2 TYR 51 7.592 2.508 -2.548
386 HE1 TYR 51 HE1 TYR 51 8.903 -0.274 -6.383
387 HE2 TYR 51 HE2 TYR 51 5.868 1.519 -3.987
388 HH TYR 51 HH TYR 51 6.573 -0.874 -6.329
389 HB2 TYR 51 2HB TYR 51 10.340 1.762 -1.841
390 HB3 TYR 51 1HB TYR 51 9.980 3.328 -2.519
391 H GLU 52 HN GLU 52 12.039 3.345 -1.075
392 HA GLU 52 HA GLU 52 12.675 6.013 -1.979
393 HB2 GLU 52 2HB GLU 52 12.460 6.695 0.288
394 HB3 GLU 52 1HB GLU 52 11.167 5.547 -0.021
395 HG2 GLU 52 2HG GLU 52 12.498 3.786 1.060
396 HG3 GLU 52 1HG GLU 52 13.751 4.975 1.412
397 H ASP 53 HN ASP 53 14.220 3.474 -0.058
398 HA ASP 53 HA ASP 53 16.707 4.892 0.132
399 HB2 ASP 53 2HB ASP 53 15.688 2.222 1.002
400 HB3 ASP 53 1HB ASP 53 17.430 2.492 0.958
401 H GLY 54 HN GLY 54 15.270 2.746 -2.142
402 HA2 GLY 54 2HA GLY 54 17.776 1.862 -3.284
403 HA3 GLY 54 1HA GLY 54 16.168 1.548 -3.919
404 H LEU 55 HN LEU 55 15.400 4.361 -3.901
405 HA LEU 55 HA LEU 55 16.463 5.059 -6.475
406 HG LEU 55 HG LEU 55 13.688 7.512 -6.825
407 HB2 LEU 55 2HB LEU 55 14.074 5.429 -5.562
408 HB3 LEU 55 1HB LEU 55 14.745 6.840 -4.769
409 HD11 LEU 55 1HD1 LEU 55 16.681 7.556 -7.178
410 HD12 LEU 55 2HD1 LEU 55 15.760 8.666 -6.163
411 HD13 LEU 55 3HD1 LEU 55 15.517 8.660 -7.909
412 HD21 LEU 55 3HD2 LEU 55 14.402 6.675 -8.994
413 HD22 LEU 55 1HD2 LEU 55 13.806 5.358 -7.984
414 HD23 LEU 55 2HD2 LEU 55 15.540 5.577 -8.211
415 H GLU 56 HN GLU 56 16.206 7.038 -3.512
416 HA GLU 56 HA GLU 56 18.572 8.514 -4.326
417 HB2 GLU 56 2HB GLU 56 16.661 8.934 -2.041
418 HB3 GLU 56 1HB GLU 56 18.018 9.986 -2.404
419 HG2 GLU 56 2HG GLU 56 15.708 9.440 -4.252
420 HG3 GLU 56 1HG GLU 56 15.877 10.865 -3.226
421 H TYR 57 HN TYR 57 19.475 6.150 -3.879
422 HA TYR 57 HA TYR 57 20.148 5.598 -1.150
423 HD1 TYR 57 HD1 TYR 57 20.185 2.800 -0.588
424 HD2 TYR 57 HD2 TYR 57 23.531 3.941 -2.956
425 HE1 TYR 57 HE1 TYR 57 21.643 1.394 0.806
426 HE2 TYR 57 HE2 TYR 57 24.997 2.537 -1.569
427 HH TYR 57 HH TYR 57 23.804 0.249 0.640
428 HB2 TYR 57 2HB TYR 57 19.918 3.815 -2.852
429 HB3 TYR 57 1HB TYR 57 21.329 4.453 -3.690
430 HA ALA 1 HA ALA 1 -11.665 -9.949 0.054
431 H1 ALA 1 1H ALA 1 -12.482 -12.200 -0.040
432 H2 ALA 1 2H ALA 1 -14.064 -11.676 0.246
433 H3 ALA 1 3H ALA 1 -12.884 -11.492 1.445
434 HB1 ALA 1 3HB ALA 1 -14.003 -10.226 -1.831
435 HB2 ALA 1 1HB ALA 1 -12.391 -10.891 -2.098
436 HB3 ALA 1 2HB ALA 1 -12.623 -9.145 -2.023
437 HA PRO 2 HA PRO 2 -14.490 -7.753 2.940
438 HB2 PRO 2 1HB PRO 2 -13.028 -6.575 4.272
439 HB3 PRO 2 2HB PRO 2 -12.068 -6.015 2.897
440 HG2 PRO 2 2HG PRO 2 -10.660 -7.665 3.746
441 HG3 PRO 2 1HG PRO 2 -12.016 -8.664 4.296
442 HD2 PRO 2 2HD PRO 2 -10.860 -8.372 1.559
443 HD3 PRO 2 1HD PRO 2 -11.538 -9.810 2.353
444 HA PRO 3 HA PRO 3 -15.767 -4.660 0.022
445 HB2 PRO 3 1HB PRO 3 -17.830 -5.043 1.007
446 HB3 PRO 3 2HB PRO 3 -17.578 -3.362 1.495
447 HG2 PRO 3 2HG PRO 3 -16.927 -3.948 3.638
448 HG3 PRO 3 1HG PRO 3 -18.049 -5.278 3.304
449 HD2 PRO 3 2HD PRO 3 -15.380 -5.588 3.969
450 HD3 PRO 3 1HD PRO 3 -16.361 -6.800 3.121
451 H GLY 4 HN GLY 4 -13.330 -3.902 0.673
452 HA2 GLY 4 2HA GLY 4 -13.185 -1.198 0.439
453 HA3 GLY 4 1HA GLY 4 -13.254 -1.443 2.177
454 H THR 5 HN THR 5 -11.652 -3.311 -0.371
455 HA THR 5 HA THR 5 -9.040 -2.492 0.573
456 HB THR 5 HB THR 5 -8.229 -4.753 0.991
457 HG1 THR 5 HG1 THR 5 -10.168 -5.697 1.726
458 1HG2 THR 5 1HG2 THR 5 -8.784 -5.733 -0.695
459 2HG2 THR 5 2HG2 THR 5 -7.968 -7.218 -0.204
460 3HG2 THR 5 3HG2 THR 5 -7.044 -5.729 -0.409
461 H ALA 6 HN ALA 6 -7.282 -3.347 -0.763
462 HA ALA 6 HA ALA 6 -7.757 -4.695 -3.199
463 HB1 ALA 6 3HB ALA 6 -8.864 -2.610 -3.814
464 HB2 ALA 6 1HB ALA 6 -7.395 -2.844 -4.761
465 HB3 ALA 6 2HB ALA 6 -7.404 -1.706 -3.415
466 H ARG 7 HN ARG 7 -5.931 -5.031 -1.161
467 HA ARG 7 HA ARG 7 -3.480 -3.930 -1.105
468 HE ARG 7 HE ARG 7 -4.647 -7.360 1.265
469 HB2 ARG 7 2HB ARG 7 -2.555 -6.223 -0.735
470 HB3 ARG 7 1HB ARG 7 -3.965 -5.838 0.242
471 HG2 ARG 7 2HG ARG 7 -5.382 -7.096 -1.299
472 HG3 ARG 7 1HG ARG 7 -3.968 -7.479 -2.283
473 HD2 ARG 7 2HD ARG 7 -4.542 -9.340 -0.821
474 HD3 ARG 7 1HD ARG 7 -2.972 -8.664 -0.394
475 HH11 ARG 7 1HH1 ARG 7 -4.214 -10.734 0.517
476 HH12 ARG 7 2HH1 ARG 7 -4.697 -11.278 2.090
477 HH21 ARG 7 2HH2 ARG 7 -5.304 -9.761 3.694
478 HH22 ARG 7 1HH2 ARG 7 -5.282 -8.066 3.341
479 H ARG 8 HN ARG 8 -1.685 -3.668 -2.411
480 HA ARG 8 HA ARG 8 -1.802 -3.770 -5.137
481 HE ARG 8 HE ARG 8 1.714 -3.547 -7.945
482 HB2 ARG 8 2HB ARG 8 0.050 -2.747 -3.851
483 HB3 ARG 8 1HB ARG 8 0.675 -4.352 -3.509
484 HG2 ARG 8 2HG ARG 8 1.885 -3.243 -5.327
485 HG3 ARG 8 1HG ARG 8 1.101 -4.734 -5.854
486 HD2 ARG 8 2HD ARG 8 -0.752 -3.418 -6.779
487 HD3 ARG 8 1HD ARG 8 0.056 -1.935 -6.271
488 HH11 ARG 8 1HH1 ARG 8 -0.903 -1.252 -7.957
489 HH12 ARG 8 2HH1 ARG 8 -0.572 -0.684 -9.559
490 HH21 ARG 8 2HH2 ARG 8 1.173 -1.570 -10.753
491 HH22 ARG 8 1HH2 ARG 8 2.164 -2.808 -10.055
492 H LYS 9 HN LYS 9 -0.699 -6.342 -2.995
493 HA LYS 9 HA LYS 9 -0.966 -8.687 -3.250
494 HB2 LYS 9 2HB LYS 9 -2.795 -8.121 -4.911
495 HB3 LYS 9 1HB LYS 9 -1.569 -8.239 -6.166
496 HG2 LYS 9 2HG LYS 9 -1.115 -10.552 -5.489
497 HG3 LYS 9 1HG LYS 9 -2.388 -10.431 -4.274
498 HD2 LYS 9 2HD LYS 9 -4.019 -9.972 -6.062
499 HD3 LYS 9 1HD LYS 9 -2.736 -10.164 -7.259
500 HE2 LYS 9 2HE LYS 9 -2.398 -12.472 -6.535
501 HE3 LYS 9 1HE LYS 9 -3.662 -12.282 -5.320
502 HZ1 LYS 9 3HZ LYS 9 -4.534 -13.389 -7.253
503 HZ2 LYS 9 1HZ LYS 9 -4.023 -12.132 -8.265
504 HZ3 LYS 9 2HZ LYS 9 -5.243 -11.858 -7.125
505 H ARG 10 HN ARG 10 1.040 -6.675 -5.240
506 HA ARG 10 HA ARG 10 2.570 -8.518 -6.605
507 HE ARG 10 HE ARG 10 6.289 -6.176 -5.760
508 HB2 ARG 10 2HB ARG 10 4.317 -6.905 -6.680
509 HB3 ARG 10 1HB ARG 10 2.807 -6.005 -6.679
510 HG2 ARG 10 2HG ARG 10 3.072 -5.428 -4.380
511 HG3 ARG 10 1HG ARG 10 4.462 -6.505 -4.220
512 HD2 ARG 10 2HD ARG 10 4.370 -4.124 -6.065
513 HD3 ARG 10 1HD ARG 10 5.049 -4.088 -4.438
514 HH11 ARG 10 1HH1 ARG 10 6.015 -2.727 -6.127
515 HH12 ARG 10 2HH1 ARG 10 7.573 -2.550 -6.863
516 HH21 ARG 10 2HH2 ARG 10 8.896 -4.389 -7.205
517 HH22 ARG 10 1HH2 ARG 10 8.341 -5.958 -6.725
518 H LYS 11 HN LYS 11 2.537 -7.747 -3.209
519 HA LYS 11 HA LYS 11 3.767 -8.507 -1.422
520 HB2 LYS 11 2HB LYS 11 3.620 -10.932 -1.174
521 HB3 LYS 11 1HB LYS 11 2.115 -10.264 -1.794
522 HG2 LYS 11 2HG LYS 11 2.460 -11.135 -3.923
523 HG3 LYS 11 1HG LYS 11 4.187 -11.366 -3.654
524 HD2 LYS 11 2HD LYS 11 3.214 -13.515 -3.567
525 HD3 LYS 11 1HD LYS 11 3.556 -13.061 -1.897
526 HE2 LYS 11 2HE LYS 11 1.225 -12.408 -1.590
527 HE3 LYS 11 1HE LYS 11 0.878 -12.835 -3.265
528 HZ1 LYS 11 3HZ LYS 11 0.210 -14.606 -1.795
529 HZ2 LYS 11 1HZ LYS 11 1.765 -14.699 -1.131
530 HZ3 LYS 11 2HZ LYS 11 1.508 -15.127 -2.747
531 H ALA 12 HN ALA 12 5.618 -7.455 -2.960
532 HA ALA 12 HA ALA 12 7.588 -8.940 -4.147
533 HB1 ALA 12 3HB ALA 12 7.547 -6.481 -4.073
534 HB2 ALA 12 1HB ALA 12 9.124 -7.139 -3.632
535 HB3 ALA 12 2HB ALA 12 8.035 -6.543 -2.378
536 H ASP 13 HN ASP 13 6.837 -8.627 -0.778
537 HA ASP 13 HA ASP 13 9.165 -10.284 -0.082
538 HB2 ASP 13 2HB ASP 13 9.169 -8.148 1.081
539 HB3 ASP 13 1HB ASP 13 7.521 -8.413 1.651
540 H SER 14 HN SER 14 7.274 -11.732 -1.191
541 HA SER 14 HA SER 14 5.110 -12.596 0.314
542 HG SER 14 HG SER 14 4.137 -14.539 -0.673
543 HB2 SER 14 2HB SER 14 5.487 -13.212 -2.047
544 HB3 SER 14 1HB SER 14 6.820 -14.255 -1.553
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 8.872 1.898 -7.308
2 H2 GLY 1 2H GLY 1 8.864 3.589 -7.350
3 H3 GLY 1 3H GLY 1 8.892 2.780 -5.865
4 HA2 GLY 1 1HA GLY 1 11.086 1.897 -6.337
5 HA3 GLY 1 2HA GLY 1 11.052 2.697 -7.901
6 H SER 2 HN SER 2 9.948 3.994 -4.789
7 HA SER 2 HA SER 2 12.180 5.466 -4.071
8 HG SER 2 HG SER 2 9.838 8.095 -5.863
9 HB2 SER 2 2HB SER 2 11.651 7.726 -4.894
10 HB3 SER 2 1HB SER 2 11.980 6.617 -6.223
11 H GLN 3 HN GLN 3 8.696 5.260 -4.193
12 HA GLN 3 HA GLN 3 8.400 6.912 -1.846
13 HB2 GLN 3 2HB GLN 3 6.402 5.348 -3.439
14 HB3 GLN 3 1HB GLN 3 5.992 6.403 -2.099
15 HG2 GLN 3 2HG GLN 3 6.779 8.322 -3.313
16 HG3 GLN 3 1HG GLN 3 7.369 7.298 -4.621
17 HE21 GLN 3 2HE2 GLN 3 3.455 8.332 -4.363
18 HE22 GLN 3 1HE2 GLN 3 4.577 8.686 -3.097
19 H VAL 4 HN VAL 4 7.803 6.209 0.162
20 HA VAL 4 HA VAL 4 8.409 3.422 0.731
21 HB VAL 4 HB VAL 4 9.514 5.214 2.044
22 HG11 VAL 4 1HG1 VAL 4 6.744 5.742 3.115
23 HG12 VAL 4 2HG1 VAL 4 7.667 6.815 2.063
24 HG13 VAL 4 3HG1 VAL 4 8.240 6.473 3.695
25 HG21 VAL 4 3HG2 VAL 4 9.707 3.637 3.592
26 HG22 VAL 4 1HG2 VAL 4 8.224 2.878 3.016
27 HG23 VAL 4 2HG2 VAL 4 8.151 4.114 4.270
28 H PHE 5 HN PHE 5 5.984 3.841 -0.605
29 HA PHE 5 HA PHE 5 4.200 2.383 0.972
30 HD1 PHE 5 HD1 PHE 5 2.934 5.596 -1.027
31 HD2 PHE 5 HD2 PHE 5 4.785 6.315 2.736
32 HE1 PHE 5 HE1 PHE 5 3.439 7.902 -1.721
33 HE2 PHE 5 HE2 PHE 5 5.293 8.622 2.050
34 HZ PHE 5 HZ PHE 5 4.619 9.418 -0.181
35 HB2 PHE 5 2HB PHE 5 2.459 4.245 1.248
36 HB3 PHE 5 1HB PHE 5 3.830 4.272 2.345
37 H GLU 6 HN GLU 6 2.088 2.115 -0.073
38 HA GLU 6 HA GLU 6 1.811 3.098 -2.805
39 HB2 GLU 6 2HB GLU 6 2.414 0.318 -2.024
40 HB3 GLU 6 1HB GLU 6 1.049 0.492 -3.115
41 HG2 GLU 6 2HG GLU 6 3.113 0.102 -4.333
42 HG3 GLU 6 1HG GLU 6 2.427 1.679 -4.709
43 H TYR 7 HN TYR 7 -0.349 3.270 -3.457
44 HA TYR 7 HA TYR 7 -2.271 2.947 -1.333
45 HD1 TYR 7 HD1 TYR 7 -4.360 3.282 -4.953
46 HD2 TYR 7 HD2 TYR 7 -0.688 5.351 -4.382
47 HE1 TYR 7 HE1 TYR 7 -4.089 3.461 -7.391
48 HE2 TYR 7 HE2 TYR 7 -0.407 5.536 -6.817
49 HH TYR 7 HH TYR 7 -2.890 4.938 -9.006
50 HB2 TYR 7 2HB TYR 7 -3.766 4.226 -2.777
51 HB3 TYR 7 1HB TYR 7 -2.235 5.051 -2.544
52 H ALA 8 HN ALA 8 -3.216 1.132 -1.047
53 HA ALA 8 HA ALA 8 -3.750 -0.647 -3.309
54 HB1 ALA 8 3HB ALA 8 -3.983 -1.067 -0.323
55 HB2 ALA 8 1HB ALA 8 -2.665 -1.616 -1.357
56 HB3 ALA 8 2HB ALA 8 -4.276 -2.301 -1.544
57 H GLU 9 HN GLU 9 -5.284 1.632 -3.421
58 HA GLU 9 HA GLU 9 -7.902 0.742 -2.478
59 HB2 GLU 9 2HB GLU 9 -8.331 2.789 -1.694
60 HB3 GLU 9 1HB GLU 9 -6.603 2.989 -1.773
61 HG2 GLU 9 2HG GLU 9 -8.533 3.840 -3.907
62 HG3 GLU 9 1HG GLU 9 -7.847 4.898 -2.688
63 H VAL 10 HN VAL 10 -9.751 1.519 -3.691
64 HA VAL 10 HA VAL 10 -9.184 1.179 -6.486
65 HB VAL 10 HB VAL 10 -11.832 0.881 -5.199
66 HG11 VAL 10 1HG1 VAL 10 -10.746 -0.230 -7.775
67 HG12 VAL 10 2HG1 VAL 10 -11.801 1.175 -7.643
68 HG13 VAL 10 3HG1 VAL 10 -12.392 -0.417 -7.174
69 HG21 VAL 10 3HG2 VAL 10 -10.256 -0.623 -4.106
70 HG22 VAL 10 1HG2 VAL 10 -9.781 -1.261 -5.681
71 HG23 VAL 10 2HG2 VAL 10 -11.417 -1.520 -5.084
72 H ASP 11 HN ASP 11 -10.365 3.483 -4.276
73 HA ASP 11 HA ASP 11 -10.797 5.324 -6.503
74 HB2 ASP 11 2HB ASP 11 -13.004 4.308 -5.770
75 HB3 ASP 11 1HB ASP 11 -12.778 5.138 -4.238
76 H GLU 12 HN GLU 12 -10.527 4.911 -2.993
77 HA GLU 12 HA GLU 12 -8.926 7.307 -2.802
78 HB2 GLU 12 2HB GLU 12 -11.665 7.218 -1.544
79 HB3 GLU 12 1HB GLU 12 -10.422 8.373 -1.089
80 HG2 GLU 12 2HG GLU 12 -10.406 9.270 -3.350
81 HG3 GLU 12 1HG GLU 12 -11.623 8.089 -3.834
82 H ILE 13 HN ILE 13 -8.114 7.688 -0.570
83 HA ILE 13 HA ILE 13 -8.329 5.295 1.133
84 HB ILE 13 HB ILE 13 -5.949 5.170 1.506
85 HG12 ILE 13 2HG1 ILE 13 -5.517 7.640 1.432
86 HG13 ILE 13 1HG1 ILE 13 -4.351 6.706 0.497
87 HG21 ILE 13 1HG2 ILE 13 -5.630 5.516 -1.339
88 HG22 ILE 13 2HG2 ILE 13 -7.157 4.737 -0.945
89 HG23 ILE 13 3HG2 ILE 13 -5.651 4.041 -0.372
90 HD11 ILE 13 3HD1 ILE 13 -4.784 8.344 -1.003
91 HD12 ILE 13 1HD1 ILE 13 -6.421 8.612 -0.406
92 HD13 ILE 13 2HD1 ILE 13 -6.080 7.228 -1.446
93 H VAL 14 HN VAL 14 -6.617 6.072 3.156
94 HA VAL 14 HA VAL 14 -7.236 8.792 3.954
95 HB VAL 14 HB VAL 14 -8.203 6.428 5.572
96 HG11 VAL 14 1HG1 VAL 14 -7.240 8.114 7.037
97 HG12 VAL 14 2HG1 VAL 14 -8.997 8.099 7.192
98 HG13 VAL 14 3HG1 VAL 14 -8.205 9.368 6.258
99 HG21 VAL 14 3HG2 VAL 14 -10.412 7.498 5.299
100 HG22 VAL 14 1HG2 VAL 14 -9.707 6.994 3.764
101 HG23 VAL 14 2HG2 VAL 14 -9.676 8.694 4.231
102 H GLU 15 HN GLU 15 -6.026 5.677 5.151
103 HA GLU 15 HA GLU 15 -3.810 7.069 6.482
104 HB2 GLU 15 2HB GLU 15 -4.646 4.158 6.571
105 HB3 GLU 15 1HB GLU 15 -3.330 4.863 7.500
106 HG2 GLU 15 2HG GLU 15 -6.232 5.625 7.735
107 HG3 GLU 15 1HG GLU 15 -5.357 4.559 8.834
108 H LYS 16 HN LYS 16 -1.704 6.912 5.729
109 HA LYS 16 HA LYS 16 -1.075 4.896 3.722
110 HB2 LYS 16 2HB LYS 16 -0.188 6.716 2.170
111 HB3 LYS 16 1HB LYS 16 -1.935 6.536 2.256
112 HG2 LYS 16 2HG LYS 16 -2.065 8.449 3.756
113 HG3 LYS 16 1HG LYS 16 -0.309 8.614 3.706
114 HD2 LYS 16 2HD LYS 16 -0.425 9.014 1.287
115 HD3 LYS 16 1HD LYS 16 -2.183 8.870 1.353
116 HE2 LYS 16 2HE LYS 16 -2.277 10.793 2.869
117 HE3 LYS 16 1HE LYS 16 -0.521 10.937 2.791
118 HZ1 LYS 16 3HZ LYS 16 -0.700 11.367 0.420
119 HZ2 LYS 16 1HZ LYS 16 -1.605 12.494 1.299
120 HZ3 LYS 16 2HZ LYS 16 -2.383 11.227 0.494
121 H ARG 17 HN ARG 17 0.527 4.218 5.348
122 HA ARG 17 HA ARG 17 3.008 5.693 5.114
123 HE ARG 17 HE ARG 17 5.203 6.309 10.491
124 HB2 ARG 17 2HB ARG 17 2.019 6.845 7.006
125 HB3 ARG 17 1HB ARG 17 1.708 5.316 7.814
126 HG2 ARG 17 2HG ARG 17 4.076 4.920 8.063
127 HG3 ARG 17 1HG ARG 17 4.443 6.384 7.147
128 HD2 ARG 17 2HD ARG 17 3.288 7.714 8.875
129 HD3 ARG 17 1HD ARG 17 3.018 6.239 9.802
130 HH11 ARG 17 1HH1 ARG 17 4.771 8.477 7.800
131 HH12 ARG 17 2HH1 ARG 17 6.332 9.208 7.971
132 HH21 ARG 17 2HH2 ARG 17 7.747 8.522 9.637
133 HH22 ARG 17 1HH2 ARG 17 7.259 7.270 10.730
134 H GLY 18 HN GLY 18 4.010 3.844 4.201
135 HA2 GLY 18 2HA GLY 18 4.571 1.763 6.155
136 HA3 GLY 18 1HA GLY 18 3.689 1.248 4.745
137 H LYS 19 HN LYS 19 4.932 0.120 3.531
138 HA LYS 19 HA LYS 19 7.667 1.013 2.972
139 HB2 LYS 19 2HB LYS 19 6.414 -1.692 3.245
140 HB3 LYS 19 1HB LYS 19 8.044 -1.463 2.611
141 HG2 LYS 19 2HG LYS 19 8.775 -0.528 4.699
142 HG3 LYS 19 1HG LYS 19 7.129 -0.594 5.339
143 HD2 LYS 19 2HD LYS 19 7.123 -2.990 5.183
144 HD3 LYS 19 1HD LYS 19 8.715 -2.977 4.423
145 HE2 LYS 19 2HE LYS 19 9.700 -2.059 6.447
146 HE3 LYS 19 1HE LYS 19 8.110 -1.971 7.206
147 HZ1 LYS 19 3HZ LYS 19 9.364 -3.909 7.939
148 HZ2 LYS 19 1HZ LYS 19 9.467 -4.468 6.346
149 HZ3 LYS 19 2HZ LYS 19 7.962 -4.370 7.113
150 H GLY 20 HN GLY 20 7.023 -1.610 1.057
151 HA2 GLY 20 2HA GLY 20 6.483 0.055 -1.249
152 HA3 GLY 20 1HA GLY 20 6.966 -1.638 -1.250
153 H LYS 21 HN LYS 21 5.285 -2.655 0.528
154 HA LYS 21 HA LYS 21 2.567 -2.025 -0.316
155 HB2 LYS 21 2HB LYS 21 4.069 -4.436 -1.025
156 HB3 LYS 21 1HB LYS 21 2.505 -4.774 -0.292
157 HG2 LYS 21 2HG LYS 21 2.951 -2.971 -2.663
158 HG3 LYS 21 1HG LYS 21 2.405 -4.644 -2.747
159 HD2 LYS 21 2HD LYS 21 0.973 -2.349 -1.417
160 HD3 LYS 21 1HD LYS 21 0.507 -3.154 -2.917
161 HE2 LYS 21 2HE LYS 21 0.208 -5.256 -1.660
162 HE3 LYS 21 1HE LYS 21 0.603 -4.399 -0.171
163 HZ1 LYS 21 3HZ LYS 21 -1.787 -4.615 -0.480
164 HZ2 LYS 21 1HZ LYS 21 -1.693 -3.781 -1.950
165 HZ3 LYS 21 2HZ LYS 21 -1.322 -2.989 -0.502
166 H ASP 22 HN ASP 22 4.579 -2.388 2.235
167 HA ASP 22 HA ASP 22 2.868 -3.904 3.951
168 HB2 ASP 22 2HB ASP 22 5.371 -4.014 4.113
169 HB3 ASP 22 1HB ASP 22 5.317 -2.361 4.667
170 H VAL 23 HN VAL 23 2.468 -1.087 2.737
171 HA VAL 23 HA VAL 23 2.003 0.528 5.060
172 HB VAL 23 HB VAL 23 2.921 1.475 2.999
173 HG11 VAL 23 1HG1 VAL 23 0.669 0.023 1.868
174 HG12 VAL 23 2HG1 VAL 23 2.153 0.585 1.103
175 HG13 VAL 23 3HG1 VAL 23 0.780 1.675 1.275
176 HG21 VAL 23 3HG2 VAL 23 1.694 3.448 3.062
177 HG22 VAL 23 1HG2 VAL 23 1.307 2.697 4.607
178 HG23 VAL 23 2HG2 VAL 23 0.159 2.600 3.274
179 H GLU 24 HN GLU 24 0.015 1.461 5.556
180 HA GLU 24 HA GLU 24 -2.256 -0.278 4.951
181 HB2 GLU 24 2HB GLU 24 -1.951 1.930 7.007
182 HB3 GLU 24 1HB GLU 24 -3.399 0.965 6.780
183 HG2 GLU 24 2HG GLU 24 -2.196 -1.037 7.437
184 HG3 GLU 24 1HG GLU 24 -0.712 -0.101 7.617
185 H TYR 25 HN TYR 25 -3.818 0.425 3.589
186 HA TYR 25 HA TYR 25 -4.153 3.269 3.127
187 HD1 TYR 25 HD1 TYR 25 -3.922 4.673 0.157
188 HD2 TYR 25 HD2 TYR 25 -1.110 1.993 1.867
189 HE1 TYR 25 HE1 TYR 25 -2.133 6.274 -0.324
190 HE2 TYR 25 HE2 TYR 25 0.691 3.594 1.392
191 HH TYR 25 HH TYR 25 1.141 5.456 -0.162
192 HB2 TYR 25 2HB TYR 25 -3.367 1.234 1.121
193 HB3 TYR 25 1HB TYR 25 -4.562 2.427 0.624
194 H LEU 26 HN LEU 26 -6.234 3.868 2.747
195 HA LEU 26 HA LEU 26 -8.271 1.878 3.291
196 HG LEU 26 HG LEU 26 -10.594 3.116 3.165
197 HB2 LEU 26 2HB LEU 26 -8.488 3.842 4.617
198 HB3 LEU 26 1HB LEU 26 -8.230 4.891 3.238
199 HD11 LEU 26 1HD1 LEU 26 -10.274 5.401 5.051
200 HD12 LEU 26 2HD1 LEU 26 -10.997 3.818 5.328
201 HD13 LEU 26 3HD1 LEU 26 -11.849 5.018 4.358
202 HD21 LEU 26 3HD2 LEU 26 -11.550 5.266 2.196
203 HD22 LEU 26 1HD2 LEU 26 -10.333 4.404 1.254
204 HD23 LEU 26 2HD2 LEU 26 -9.883 5.840 2.176
205 H VAL 27 HN VAL 27 -10.201 1.771 1.943
206 HA VAL 27 HA VAL 27 -9.843 2.947 -0.668
207 HB VAL 27 HB VAL 27 -9.427 1.221 -1.842
208 HG11 VAL 27 1HG1 VAL 27 -8.288 -0.682 -0.774
209 HG12 VAL 27 2HG1 VAL 27 -8.873 -0.105 0.787
210 HG13 VAL 27 3HG1 VAL 27 -7.763 0.886 -0.159
211 HG21 VAL 27 3HG2 VAL 27 -10.445 -1.056 -1.601
212 HG22 VAL 27 1HG2 VAL 27 -11.600 0.253 -1.848
213 HG23 VAL 27 2HG2 VAL 27 -11.363 -0.417 -0.237
214 H ARG 28 HN ARG 28 -11.506 4.037 -1.074
215 HA ARG 28 HA ARG 28 -14.158 3.157 -0.300
216 HE ARG 28 HE ARG 28 -12.330 7.782 1.460
217 HB2 ARG 28 2HB ARG 28 -13.483 5.482 -2.091
218 HB3 ARG 28 1HB ARG 28 -14.931 5.260 -1.124
219 HG2 ARG 28 2HG ARG 28 -13.557 5.533 0.918
220 HG3 ARG 28 1HG ARG 28 -12.167 5.889 -0.111
221 HD2 ARG 28 2HD ARG 28 -13.468 7.771 -1.100
222 HD3 ARG 28 1HD ARG 28 -14.737 7.454 0.081
223 HH11 ARG 28 1HH1 ARG 28 -14.533 9.655 -0.484
224 HH12 ARG 28 2HH1 ARG 28 -14.156 11.152 0.302
225 HH21 ARG 28 2HH2 ARG 28 -12.617 11.204 1.998
226 HH22 ARG 28 1HH2 ARG 28 -11.828 9.745 2.499
227 H TRP 29 HN TRP 29 -13.525 1.222 -1.459
228 HA TRP 29 HA TRP 29 -12.891 0.559 -3.856
229 HD1 TRP 29 HD1 TRP 29 -13.204 -0.967 -5.541
230 HE1 TRP 29 HE1 TRP 29 -14.237 -2.873 -6.939
231 HE3 TRP 29 HE3 TRP 29 -16.892 -2.439 -2.317
232 HZ2 TRP 29 HZ2 TRP 29 -16.333 -4.753 -6.699
233 HZ3 TRP 29 HZ3 TRP 29 -18.364 -4.298 -2.974
234 HH2 TRP 29 HH2 TRP 29 -18.089 -5.429 -5.120
235 HB2 TRP 29 2HB TRP 29 -13.808 -1.013 -2.287
236 HB3 TRP 29 1HB TRP 29 -15.412 -0.320 -2.501
237 H LYS 30 HN LYS 30 -13.087 2.237 -5.282
238 HA LYS 30 HA LYS 30 -14.976 3.784 -6.251
239 HB2 LYS 30 2HB LYS 30 -12.817 3.342 -7.409
240 HB3 LYS 30 1HB LYS 30 -13.534 1.907 -8.127
241 HG2 LYS 30 2HG LYS 30 -15.161 3.263 -9.294
242 HG3 LYS 30 1HG LYS 30 -14.531 4.719 -8.522
243 HD2 LYS 30 2HD LYS 30 -12.375 4.371 -9.620
244 HD3 LYS 30 1HD LYS 30 -12.997 2.906 -10.385
245 HE2 LYS 30 2HE LYS 30 -13.035 4.839 -11.906
246 HE3 LYS 30 1HE LYS 30 -14.649 4.201 -11.594
247 HZ1 LYS 30 3HZ LYS 30 -13.457 6.577 -10.267
248 HZ2 LYS 30 1HZ LYS 30 -15.016 5.973 -10.005
249 HZ3 LYS 30 2HZ LYS 30 -14.601 6.620 -11.512
250 H ASP 31 HN ASP 31 -15.149 0.289 -6.691
251 HA ASP 31 HA ASP 31 -17.830 0.611 -7.861
252 HB2 ASP 31 2HB ASP 31 -16.169 -0.670 -9.215
253 HB3 ASP 31 1HB ASP 31 -16.055 -1.841 -7.905
254 H GLY 32 HN GLY 32 -17.929 1.105 -5.297
255 HA2 GLY 32 2HA GLY 32 -19.252 -1.242 -4.174
256 HA3 GLY 32 1HA GLY 32 -17.901 -0.580 -3.258
257 H GLY 33 HN GLY 33 -18.923 0.181 -1.505
258 HA2 GLY 33 2HA GLY 33 -20.599 2.539 -1.889
259 HA3 GLY 33 1HA GLY 33 -21.308 1.203 -0.989
260 H ASP 34 HN ASP 34 -19.173 0.311 0.474
261 HA ASP 34 HA ASP 34 -18.680 2.595 2.259
262 HB2 ASP 34 2HB ASP 34 -19.940 0.721 3.247
263 HB3 ASP 34 1HB ASP 34 -18.618 -0.374 2.855
264 H CYS 35 HN CYS 35 -16.577 2.515 3.468
265 HA CYS 35 HA CYS 35 -14.443 1.459 1.730
266 HG CYS 35 HG CYS 35 -13.670 5.552 3.809
267 HB2 CYS 35 2HB CYS 35 -13.081 3.408 2.350
268 HB3 CYS 35 1HB CYS 35 -14.574 3.890 1.550
269 H GLU 36 HN GLU 36 -12.767 0.416 2.657
270 HA GLU 36 HA GLU 36 -12.655 0.303 5.594
271 HB2 GLU 36 2HB GLU 36 -13.766 -1.725 4.496
272 HB3 GLU 36 1HB GLU 36 -12.182 -2.099 3.833
273 HG2 GLU 36 2HG GLU 36 -12.766 -3.339 5.906
274 HG3 GLU 36 1HG GLU 36 -11.260 -2.430 5.995
275 H TRP 37 HN TRP 37 -10.501 -0.692 6.316
276 HA TRP 37 HA TRP 37 -8.393 0.675 4.863
277 HD1 TRP 37 HD1 TRP 37 -9.074 2.571 5.934
278 HE1 TRP 37 HE1 TRP 37 -9.978 4.119 7.780
279 HE3 TRP 37 HE3 TRP 37 -8.262 -0.437 9.989
280 HZ2 TRP 37 HZ2 TRP 37 -10.305 4.072 10.582
281 HZ3 TRP 37 HZ3 TRP 37 -8.900 0.390 12.216
282 HH2 TRP 37 HH2 TRP 37 -9.899 2.600 12.505
283 HB2 TRP 37 2HB TRP 37 -8.280 -0.844 7.478
284 HB3 TRP 37 1HB TRP 37 -7.014 0.188 6.823
285 H VAL 38 HN VAL 38 -6.588 -0.286 3.974
286 HA VAL 38 HA VAL 38 -6.905 -3.089 3.266
287 HB VAL 38 HB VAL 38 -4.828 -1.076 2.375
288 HG11 VAL 38 1HG1 VAL 38 -5.393 -3.879 1.409
289 HG12 VAL 38 2HG1 VAL 38 -3.940 -3.325 2.241
290 HG13 VAL 38 3HG1 VAL 38 -4.307 -2.737 0.620
291 HG21 VAL 38 3HG2 VAL 38 -7.054 -2.214 0.718
292 HG22 VAL 38 1HG2 VAL 38 -6.063 -0.791 0.405
293 HG23 VAL 38 2HG2 VAL 38 -7.276 -0.760 1.687
294 H LYS 39 HN LYS 39 -5.200 -4.627 3.521
295 HA LYS 39 HA LYS 39 -4.102 -4.588 6.112
296 HB2 LYS 39 2HB LYS 39 -4.741 -6.667 4.965
297 HB3 LYS 39 1HB LYS 39 -3.447 -6.418 3.803
298 HG2 LYS 39 2HG LYS 39 -1.789 -6.654 5.556
299 HG3 LYS 39 1HG LYS 39 -3.066 -6.831 6.761
300 HD2 LYS 39 2HD LYS 39 -2.162 -9.006 6.151
301 HD3 LYS 39 1HD LYS 39 -3.841 -8.865 5.624
302 HE2 LYS 39 2HE LYS 39 -3.036 -8.279 3.359
303 HE3 LYS 39 1HE LYS 39 -1.381 -8.538 3.909
304 HZ1 LYS 39 3HZ LYS 39 -3.536 -10.577 3.796
305 HZ2 LYS 39 1HZ LYS 39 -1.991 -10.844 4.431
306 HZ3 LYS 39 2HZ LYS 39 -2.181 -10.490 2.788
307 H GLY 40 HN GLY 40 -2.627 -3.145 6.633
308 HA2 GLY 40 2HA GLY 40 -0.437 -2.588 4.798
309 HA3 GLY 40 1HA GLY 40 -0.791 -1.715 6.275
310 H VAL 41 HN VAL 41 -0.493 -5.193 5.916
311 HA VAL 41 HA VAL 41 1.896 -5.102 7.636
312 HB VAL 41 HB VAL 41 0.294 -7.599 7.271
313 HG11 VAL 41 1HG1 VAL 41 2.444 -7.684 8.423
314 HG12 VAL 41 2HG1 VAL 41 1.116 -8.082 9.512
315 HG13 VAL 41 3HG1 VAL 41 1.871 -6.490 9.588
316 HG21 VAL 41 3HG2 VAL 41 -0.407 -5.417 9.237
317 HG22 VAL 41 1HG2 VAL 41 -1.122 -7.028 9.182
318 HG23 VAL 41 2HG2 VAL 41 -1.376 -5.904 7.847
319 H HIS 42 HN HIS 42 1.226 -5.203 4.517
320 HA HIS 42 HA HIS 42 2.530 -7.605 3.694
321 HD1 HIS 42 HD1 HIS 42 -0.718 -7.358 2.296
322 HD2 HIS 42 HD2 HIS 42 2.819 -8.238 0.304
323 HE1 HIS 42 HE1 HIS 42 -1.219 -9.393 0.906
324 HE2 HIS 42 HE2 HIS 42 0.965 -9.968 -0.210
325 HB2 HIS 42 2HB HIS 42 1.022 -5.514 2.464
326 HB3 HIS 42 1HB HIS 42 2.537 -5.721 1.581
327 H VAL 43 HN VAL 43 4.288 -7.423 5.022
328 HA VAL 43 HA VAL 43 6.226 -5.458 5.005
329 HB VAL 43 HB VAL 43 6.620 -8.407 5.466
330 HG11 VAL 43 1HG1 VAL 43 8.328 -6.029 6.165
331 HG12 VAL 43 2HG1 VAL 43 8.765 -7.424 5.179
332 HG13 VAL 43 3HG1 VAL 43 8.517 -7.615 6.913
333 HG21 VAL 43 3HG2 VAL 43 5.973 -6.185 7.401
334 HG22 VAL 43 1HG2 VAL 43 6.328 -7.856 7.837
335 HG23 VAL 43 2HG2 VAL 43 4.886 -7.478 6.896
336 H ALA 44 HN ALA 44 6.213 -4.948 2.675
337 HA ALA 44 HA ALA 44 7.948 -6.658 1.089
338 HB1 ALA 44 3HB ALA 44 5.882 -5.605 0.105
339 HB2 ALA 44 1HB ALA 44 7.374 -5.294 -0.782
340 HB3 ALA 44 2HB ALA 44 6.693 -4.045 0.260
341 H GLU 45 HN GLU 45 9.268 -5.853 3.195
342 HA GLU 45 HA GLU 45 10.524 -3.413 3.312
343 HB2 GLU 45 2HB GLU 45 10.828 -5.162 5.005
344 HB3 GLU 45 1HB GLU 45 11.748 -6.126 3.859
345 HG2 GLU 45 2HG GLU 45 13.218 -5.007 5.418
346 HG3 GLU 45 1HG GLU 45 13.471 -4.399 3.782
347 H ASP 46 HN ASP 46 10.953 -5.977 1.049
348 HA ASP 46 HA ASP 46 13.446 -5.061 -0.017
349 HB2 ASP 46 2HB ASP 46 11.346 -6.849 -1.254
350 HB3 ASP 46 1HB ASP 46 12.986 -6.625 -1.856
351 H VAL 47 HN VAL 47 10.037 -4.740 -1.005
352 HA VAL 47 HA VAL 47 10.493 -3.311 -3.374
353 HB VAL 47 HB VAL 47 8.142 -3.122 -1.485
354 HG11 VAL 47 1HG1 VAL 47 8.254 -2.374 -4.403
355 HG12 VAL 47 2HG1 VAL 47 8.370 -1.209 -3.084
356 HG13 VAL 47 3HG1 VAL 47 6.900 -2.162 -3.294
357 HG21 VAL 47 3HG2 VAL 47 8.581 -5.386 -2.336
358 HG22 VAL 47 1HG2 VAL 47 8.516 -4.767 -3.986
359 HG23 VAL 47 2HG2 VAL 47 7.075 -4.722 -2.971
360 H ALA 48 HN ALA 48 9.946 -2.208 -0.124
361 HA ALA 48 HA ALA 48 10.134 0.567 -0.490
362 HB1 ALA 48 3HB ALA 48 8.975 -0.257 1.410
363 HB2 ALA 48 1HB ALA 48 10.404 0.598 1.988
364 HB3 ALA 48 2HB ALA 48 10.388 -1.165 1.949
365 H LYS 49 HN LYS 49 12.384 -1.732 1.057
366 HA LYS 49 HA LYS 49 14.495 0.045 1.410
367 HB2 LYS 49 2HB LYS 49 14.394 -2.205 2.429
368 HB3 LYS 49 1HB LYS 49 14.662 -2.925 0.847
369 HG2 LYS 49 2HG LYS 49 16.865 -2.016 0.728
370 HG3 LYS 49 1HG LYS 49 16.602 -1.056 2.186
371 HD2 LYS 49 2HD LYS 49 17.945 -3.061 2.638
372 HD3 LYS 49 1HD LYS 49 16.411 -3.086 3.512
373 HE2 LYS 49 2HE LYS 49 15.467 -4.558 1.794
374 HE3 LYS 49 1HE LYS 49 17.005 -4.534 0.932
375 HZ1 LYS 49 3HZ LYS 49 16.758 -6.524 2.288
376 HZ2 LYS 49 1HZ LYS 49 16.592 -5.581 3.681
377 HZ3 LYS 49 2HZ LYS 49 18.054 -5.582 2.831
378 H ASP 50 HN ASP 50 13.483 -1.793 -1.381
379 HA ASP 50 HA ASP 50 15.787 -0.888 -2.903
380 HB2 ASP 50 2HB ASP 50 15.326 -2.539 -4.420
381 HB3 ASP 50 1HB ASP 50 14.612 -3.245 -2.979
382 H TYR 51 HN TYR 51 12.523 0.014 -2.317
383 HA TYR 51 HA TYR 51 12.058 1.312 -4.757
384 HD1 TYR 51 HD1 TYR 51 11.019 -0.241 -5.145
385 HD2 TYR 51 HD2 TYR 51 8.012 2.038 -3.170
386 HE1 TYR 51 HE1 TYR 51 9.306 -1.283 -6.561
387 HE2 TYR 51 HE2 TYR 51 6.294 0.997 -4.586
388 HH TYR 51 HH TYR 51 6.906 -1.731 -6.519
389 HB2 TYR 51 2HB TYR 51 10.671 1.163 -2.225
390 HB3 TYR 51 1HB TYR 51 10.433 2.674 -3.066
391 H GLU 52 HN GLU 52 12.610 2.582 -1.533
392 HA GLU 52 HA GLU 52 13.418 5.147 -2.624
393 HB2 GLU 52 2HB GLU 52 13.209 6.022 -0.407
394 HB3 GLU 52 1HB GLU 52 11.803 5.017 -0.728
395 HG2 GLU 52 2HG GLU 52 12.875 3.181 0.526
396 HG3 GLU 52 1HG GLU 52 14.213 4.263 0.909
397 H ASP 53 HN ASP 53 14.683 2.684 -0.419
398 HA ASP 53 HA ASP 53 17.245 3.923 -0.182
399 HB2 ASP 53 2HB ASP 53 15.890 1.532 0.860
400 HB3 ASP 53 1HB ASP 53 17.632 1.345 0.641
401 H GLY 54 HN GLY 54 15.811 1.658 -2.378
402 HA2 GLY 54 2HA GLY 54 18.152 0.401 -3.327
403 HA3 GLY 54 1HA GLY 54 16.645 0.557 -4.216
404 H LEU 55 HN LEU 55 16.414 3.270 -4.509
405 HA LEU 55 HA LEU 55 18.328 3.766 -6.586
406 HG LEU 55 HG LEU 55 15.096 3.656 -6.537
407 HB2 LEU 55 2HB LEU 55 16.143 5.513 -5.449
408 HB3 LEU 55 1HB LEU 55 17.086 5.893 -6.879
409 HD11 LEU 55 1HD1 LEU 55 15.215 5.994 -8.436
410 HD12 LEU 55 2HD1 LEU 55 14.169 5.863 -7.023
411 HD13 LEU 55 3HD1 LEU 55 13.956 4.760 -8.382
412 HD21 LEU 55 3HD2 LEU 55 15.640 3.052 -8.871
413 HD22 LEU 55 1HD2 LEU 55 16.976 2.758 -7.756
414 HD23 LEU 55 2HD2 LEU 55 17.004 4.169 -8.816
415 H GLU 56 HN GLU 56 17.346 5.963 -3.961
416 HA GLU 56 HA GLU 56 19.915 7.238 -3.975
417 HB2 GLU 56 2HB GLU 56 17.487 7.567 -2.235
418 HB3 GLU 56 1HB GLU 56 18.953 8.506 -2.009
419 HG2 GLU 56 2HG GLU 56 18.722 9.373 -4.296
420 HG3 GLU 56 1HG GLU 56 17.216 8.471 -4.467
421 H TYR 57 HN TYR 57 20.782 4.909 -3.545
422 HA TYR 57 HA TYR 57 20.748 4.117 -0.766
423 HD1 TYR 57 HD1 TYR 57 20.894 1.492 -0.064
424 HD2 TYR 57 HD2 TYR 57 24.366 2.321 -2.378
425 HE1 TYR 57 HE1 TYR 57 22.219 0.043 1.416
426 HE2 TYR 57 HE2 TYR 57 25.701 0.875 -0.905
427 HH TYR 57 HH TYR 57 25.619 -0.009 1.375
428 HB2 TYR 57 2HB TYR 57 20.795 2.381 -2.459
429 HB3 TYR 57 1HB TYR 57 22.273 3.044 -3.146
430 HA ALA 1 HA ALA 1 -18.608 -6.133 6.944
431 H1 ALA 1 1H ALA 1 -20.074 -7.312 4.656
432 H2 ALA 1 2H ALA 1 -20.402 -5.817 5.376
433 H3 ALA 1 3H ALA 1 -20.621 -7.244 6.256
434 HB1 ALA 1 3HB ALA 1 -17.078 -8.020 6.680
435 HB2 ALA 1 1HB ALA 1 -18.101 -8.675 5.401
436 HB3 ALA 1 2HB ALA 1 -18.712 -8.567 7.053
437 HA PRO 2 HA PRO 2 -17.310 -3.922 3.061
438 HB2 PRO 2 1HB PRO 2 -17.123 -1.734 3.745
439 HB3 PRO 2 2HB PRO 2 -16.288 -2.165 5.241
440 HG2 PRO 2 2HG PRO 2 -18.405 -1.672 6.076
441 HG3 PRO 2 1HG PRO 2 -19.215 -2.247 4.607
442 HD2 PRO 2 2HD PRO 2 -18.124 -3.806 6.907
443 HD3 PRO 2 1HD PRO 2 -19.569 -4.108 5.921
444 HA PRO 3 HA PRO 3 -13.216 -5.732 3.824
445 HB2 PRO 3 1HB PRO 3 -13.802 -7.273 2.196
446 HB3 PRO 3 2HB PRO 3 -12.631 -6.316 1.281
447 HG2 PRO 3 2HG PRO 3 -14.279 -5.131 0.164
448 HG3 PRO 3 1HG PRO 3 -15.122 -6.673 0.383
449 HD2 PRO 3 2HD PRO 3 -16.050 -4.241 1.297
450 HD3 PRO 3 1HD PRO 3 -16.520 -5.814 1.971
451 H GLY 4 HN GLY 4 -13.970 -3.372 1.279
452 HA2 GLY 4 2HA GLY 4 -12.732 -1.655 0.377
453 HA3 GLY 4 1HA GLY 4 -12.243 -1.386 2.041
454 H THR 5 HN THR 5 -11.412 -2.976 -0.970
455 HA THR 5 HA THR 5 -8.601 -2.748 -0.315
456 HB THR 5 HB THR 5 -8.073 -5.098 -0.842
457 HG1 THR 5 HG1 THR 5 -10.284 -5.311 -1.933
458 HG21 THR 5 3HG2 THR 5 -8.313 -4.428 1.497
459 HG22 THR 5 1HG2 THR 5 -8.870 -6.085 1.258
460 HG23 THR 5 2HG2 THR 5 -10.041 -4.776 1.428
461 H ALA 6 HN ALA 6 -7.190 -3.107 -2.128
462 HA ALA 6 HA ALA 6 -8.428 -3.360 -4.756
463 HB1 ALA 6 3HB ALA 6 -7.858 -1.284 -5.575
464 HB2 ALA 6 1HB ALA 6 -6.634 -1.013 -4.335
465 HB3 ALA 6 2HB ALA 6 -8.345 -0.900 -3.926
466 H ARG 7 HN ARG 7 -5.447 -2.837 -2.920
467 HA ARG 7 HA ARG 7 -3.403 -3.859 -3.050
468 HE ARG 7 HE ARG 7 -6.414 -8.009 -2.423
469 HB2 ARG 7 2HB ARG 7 -4.432 -5.433 -5.412
470 HB3 ARG 7 1HB ARG 7 -3.076 -5.827 -4.365
471 HG2 ARG 7 2HG ARG 7 -4.564 -6.263 -2.522
472 HG3 ARG 7 1HG ARG 7 -5.953 -5.737 -3.478
473 HD2 ARG 7 2HD ARG 7 -5.560 -7.571 -5.049
474 HD3 ARG 7 1HD ARG 7 -4.174 -8.092 -4.096
475 HH11 ARG 7 1HH1 ARG 7 -5.195 -9.801 -5.148
476 HH12 ARG 7 2HH1 ARG 7 -6.033 -11.258 -4.730
477 HH21 ARG 7 2HH2 ARG 7 -7.354 -11.329 -2.860
478 HH22 ARG 7 1HH2 ARG 7 -7.519 -9.925 -1.860
479 H ARG 8 HN ARG 8 -1.798 -2.588 -3.733
480 HA ARG 8 HA ARG 8 -2.012 -1.064 -6.130
481 HE ARG 8 HE ARG 8 0.104 2.525 -7.058
482 HB2 ARG 8 2HB ARG 8 -0.683 -0.687 -3.829
483 HB3 ARG 8 1HB ARG 8 0.629 -1.319 -4.815
484 HG2 ARG 8 2HG ARG 8 -1.084 1.074 -5.449
485 HG3 ARG 8 1HG ARG 8 0.592 1.099 -4.900
486 HD2 ARG 8 2HD ARG 8 1.283 -0.064 -6.928
487 HD3 ARG 8 1HD ARG 8 -0.394 -0.134 -7.471
488 HH11 ARG 8 1HH1 ARG 8 1.523 0.003 -8.993
489 HH12 ARG 8 2HH1 ARG 8 2.048 1.080 -10.244
490 HH21 ARG 8 2HH2 ARG 8 1.630 3.327 -10.074
491 HH22 ARG 8 1HH2 ARG 8 0.787 3.952 -8.696
492 H LYS 9 HN LYS 9 0.272 -3.671 -5.173
493 HA LYS 9 HA LYS 9 0.529 -4.294 -8.030
494 HB2 LYS 9 2HB LYS 9 2.880 -4.175 -6.130
495 HB3 LYS 9 1HB LYS 9 2.932 -4.561 -7.843
496 HG2 LYS 9 2HG LYS 9 2.037 -2.256 -8.286
497 HG3 LYS 9 1HG LYS 9 2.303 -1.913 -6.576
498 HD2 LYS 9 2HD LYS 9 4.199 -1.128 -7.838
499 HD3 LYS 9 1HD LYS 9 4.689 -2.522 -6.875
500 HE2 LYS 9 2HE LYS 9 4.473 -3.960 -8.837
501 HE3 LYS 9 1HE LYS 9 3.950 -2.581 -9.799
502 HZ1 LYS 9 3HZ LYS 9 6.276 -3.040 -10.167
503 HZ2 LYS 9 1HZ LYS 9 6.607 -2.904 -8.513
504 HZ3 LYS 9 2HZ LYS 9 6.109 -1.547 -9.391
505 H ARG 10 HN ARG 10 2.320 -6.374 -7.887
506 HA ARG 10 HA ARG 10 0.824 -8.590 -7.356
507 HE ARG 10 HE ARG 10 6.611 -7.908 -6.044
508 HB2 ARG 10 2HB ARG 10 2.888 -9.864 -7.346
509 HB3 ARG 10 1HB ARG 10 2.985 -8.590 -8.556
510 HG2 ARG 10 2HG ARG 10 4.429 -7.293 -7.226
511 HG3 ARG 10 1HG ARG 10 4.107 -8.266 -5.787
512 HD2 ARG 10 2HD ARG 10 5.206 -10.183 -6.858
513 HD3 ARG 10 1HD ARG 10 5.537 -9.198 -8.281
514 HH11 ARG 10 1HH1 ARG 10 7.095 -10.795 -7.927
515 HH12 ARG 10 2HH1 ARG 10 8.792 -10.887 -7.592
516 HH21 ARG 10 2HH2 ARG 10 9.787 -9.307 -6.264
517 HH22 ARG 10 1HH2 ARG 10 8.845 -8.017 -5.594
518 H LYS 11 HN LYS 11 2.587 -6.632 -5.098
519 HA LYS 11 HA LYS 11 2.518 -6.549 -2.821
520 HB2 LYS 11 2HB LYS 11 0.830 -9.045 -2.818
521 HB3 LYS 11 1HB LYS 11 0.956 -7.825 -1.562
522 HG2 LYS 11 2HG LYS 11 0.010 -6.218 -3.346
523 HG3 LYS 11 1HG LYS 11 -0.491 -7.698 -4.168
524 HD2 LYS 11 2HD LYS 11 -1.117 -7.283 -1.275
525 HD3 LYS 11 1HD LYS 11 -2.124 -6.542 -2.520
526 HE2 LYS 11 2HE LYS 11 -3.080 -8.661 -1.868
527 HE3 LYS 11 1HE LYS 11 -2.473 -8.771 -3.517
528 HZ1 LYS 11 3HZ LYS 11 -1.969 -10.641 -1.818
529 HZ2 LYS 11 1HZ LYS 11 -0.743 -9.600 -1.295
530 HZ3 LYS 11 2HZ LYS 11 -0.767 -10.143 -2.897
531 H ALA 12 HN ALA 12 4.665 -6.960 -2.560
532 HA ALA 12 HA ALA 12 5.514 -9.765 -2.406
533 HB1 ALA 12 3HB ALA 12 6.697 -7.931 -3.828
534 HB2 ALA 12 1HB ALA 12 7.661 -9.093 -2.916
535 HB3 ALA 12 2HB ALA 12 7.415 -7.465 -2.284
536 H ASP 13 HN ASP 13 5.017 -10.447 -0.349
537 HA ASP 13 HA ASP 13 6.218 -8.888 1.845
538 HB2 ASP 13 2HB ASP 13 4.421 -9.704 3.319
539 HB3 ASP 13 1HB ASP 13 3.783 -8.759 1.975
540 H SER 14 HN SER 14 7.764 -10.686 0.576
541 HA SER 14 HA SER 14 9.164 -12.431 0.959
542 HG SER 14 HG SER 14 10.448 -11.548 3.511
543 HB2 SER 14 2HB SER 14 7.891 -12.407 3.705
544 HB3 SER 14 1HB SER 14 9.343 -13.309 3.268
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 11.289 8.677 -3.213
2 H2 GLY 1 2H GLY 1 11.203 7.135 -3.902
3 H3 GLY 1 3H GLY 1 11.438 8.489 -4.887
4 HA2 GLY 1 1HA GLY 1 13.520 7.372 -4.668
5 HA3 GLY 1 2HA GLY 1 13.587 8.900 -3.805
6 H SER 2 HN SER 2 11.712 7.468 -1.765
7 HA SER 2 HA SER 2 13.317 5.447 -0.573
8 HG SER 2 HG SER 2 13.711 9.137 0.097
9 HB2 SER 2 2HB SER 2 13.934 6.747 1.473
10 HB3 SER 2 1HB SER 2 14.767 7.297 0.019
11 H GLN 3 HN GLN 3 11.101 8.088 0.274
12 HA GLN 3 HA GLN 3 9.461 6.182 1.785
13 HB2 GLN 3 2HB GLN 3 10.176 8.072 3.089
14 HB3 GLN 3 1HB GLN 3 9.615 9.174 1.848
15 HG2 GLN 3 2HG GLN 3 7.299 8.384 2.265
16 HG3 GLN 3 1HG GLN 3 7.928 7.428 3.607
17 HE21 GLN 3 2HE2 GLN 3 7.380 11.431 3.958
18 HE22 GLN 3 1HE2 GLN 3 7.213 10.616 2.443
19 H VAL 4 HN VAL 4 7.901 5.321 0.514
20 HA VAL 4 HA VAL 4 6.246 7.171 -1.028
21 HB VAL 4 HB VAL 4 7.429 4.660 -2.210
22 HG11 VAL 4 1HG1 VAL 4 5.165 5.087 -3.011
23 HG12 VAL 4 2HG1 VAL 4 6.345 5.383 -4.287
24 HG13 VAL 4 3HG1 VAL 4 5.611 6.741 -3.431
25 HG21 VAL 4 3HG2 VAL 4 9.090 6.416 -2.061
26 HG22 VAL 4 1HG2 VAL 4 7.981 7.567 -2.807
27 HG23 VAL 4 2HG2 VAL 4 8.595 6.201 -3.740
28 H PHE 5 HN PHE 5 6.620 3.697 -0.345
29 HA PHE 5 HA PHE 5 5.125 2.110 0.341
30 HD1 PHE 5 HD1 PHE 5 3.041 6.068 1.793
31 HD2 PHE 5 HD2 PHE 5 6.097 3.253 2.710
32 HE1 PHE 5 HE1 PHE 5 4.129 7.731 3.242
33 HE2 PHE 5 HE2 PHE 5 7.193 4.912 4.161
34 HZ PHE 5 HZ PHE 5 6.205 7.152 4.431
35 HB2 PHE 5 2HB PHE 5 2.903 3.979 0.922
36 HB3 PHE 5 1HB PHE 5 3.570 2.687 1.893
37 H GLU 6 HN GLU 6 2.209 2.231 0.005
38 HA GLU 6 HA GLU 6 1.803 2.875 -2.787
39 HB2 GLU 6 2HB GLU 6 1.995 0.047 -1.829
40 HB3 GLU 6 1HB GLU 6 0.920 0.455 -3.156
41 HG2 GLU 6 2HG GLU 6 2.735 1.302 -4.454
42 HG3 GLU 6 1HG GLU 6 3.853 1.092 -3.108
43 H TYR 7 HN TYR 7 -0.349 2.970 -3.418
44 HA TYR 7 HA TYR 7 -2.231 2.846 -1.215
45 HD1 TYR 7 HD1 TYR 7 -3.947 3.502 -5.059
46 HD2 TYR 7 HD2 TYR 7 -0.409 5.486 -3.778
47 HE1 TYR 7 HE1 TYR 7 -3.345 3.926 -7.405
48 HE2 TYR 7 HE2 TYR 7 0.204 5.917 -6.120
49 HH TYR 7 HH TYR 7 -0.255 5.026 -8.339
50 HB2 TYR 7 2HB TYR 7 -3.664 4.228 -2.738
51 HB3 TYR 7 1HB TYR 7 -2.182 5.003 -2.213
52 H ALA 8 HN ALA 8 -3.054 0.913 -1.046
53 HA ALA 8 HA ALA 8 -3.758 -0.614 -3.423
54 HB1 ALA 8 3HB ALA 8 -2.778 -2.008 -1.851
55 HB2 ALA 8 1HB ALA 8 -4.496 -2.292 -1.587
56 HB3 ALA 8 2HB ALA 8 -3.602 -1.237 -0.494
57 H GLU 9 HN GLU 9 -5.276 1.551 -3.507
58 HA GLU 9 HA GLU 9 -7.874 0.699 -2.463
59 HB2 GLU 9 2HB GLU 9 -8.362 2.810 -1.841
60 HB3 GLU 9 1HB GLU 9 -6.626 2.934 -1.762
61 HG2 GLU 9 2HG GLU 9 -8.345 3.820 -4.058
62 HG3 GLU 9 1HG GLU 9 -7.652 4.863 -2.828
63 H VAL 10 HN VAL 10 -9.734 1.550 -3.702
64 HA VAL 10 HA VAL 10 -9.164 1.062 -6.486
65 HB VAL 10 HB VAL 10 -11.802 0.792 -5.161
66 HG11 VAL 10 1HG1 VAL 10 -10.791 -0.416 -7.722
67 HG12 VAL 10 2HG1 VAL 10 -11.754 1.057 -7.638
68 HG13 VAL 10 3HG1 VAL 10 -12.439 -0.475 -7.100
69 HG21 VAL 10 3HG2 VAL 10 -10.326 -0.712 -4.042
70 HG22 VAL 10 1HG2 VAL 10 -9.658 -1.267 -5.578
71 HG23 VAL 10 2HG2 VAL 10 -11.323 -1.654 -5.152
72 H ASP 11 HN ASP 11 -10.212 3.487 -4.382
73 HA ASP 11 HA ASP 11 -10.685 5.232 -6.663
74 HB2 ASP 11 2HB ASP 11 -12.910 4.286 -5.949
75 HB3 ASP 11 1HB ASP 11 -12.680 5.087 -4.401
76 H GLU 12 HN GLU 12 -10.428 4.927 -3.146
77 HA GLU 12 HA GLU 12 -8.801 7.318 -3.028
78 HB2 GLU 12 2HB GLU 12 -11.530 7.234 -1.746
79 HB3 GLU 12 1HB GLU 12 -10.277 8.367 -1.262
80 HG2 GLU 12 2HG GLU 12 -11.381 8.154 -4.050
81 HG3 GLU 12 1HG GLU 12 -11.947 9.302 -2.838
82 H ILE 13 HN ILE 13 -8.078 7.760 -0.712
83 HA ILE 13 HA ILE 13 -8.251 5.372 0.984
84 HB ILE 13 HB ILE 13 -5.863 5.258 1.387
85 HG12 ILE 13 2HG1 ILE 13 -5.436 7.723 1.218
86 HG13 ILE 13 1HG1 ILE 13 -4.264 6.756 0.325
87 HG21 ILE 13 1HG2 ILE 13 -7.053 4.694 -1.032
88 HG22 ILE 13 2HG2 ILE 13 -5.513 4.076 -0.452
89 HG23 ILE 13 3HG2 ILE 13 -5.560 5.508 -1.480
90 HD11 ILE 13 3HD1 ILE 13 -5.983 7.198 -1.646
91 HD12 ILE 13 1HD1 ILE 13 -4.695 8.334 -1.238
92 HD13 ILE 13 2HD1 ILE 13 -6.336 8.618 -0.661
93 H VAL 14 HN VAL 14 -6.578 6.158 3.024
94 HA VAL 14 HA VAL 14 -7.183 8.901 3.760
95 HB VAL 14 HB VAL 14 -8.207 6.576 5.401
96 HG11 VAL 14 1HG1 VAL 14 -9.011 8.262 6.983
97 HG12 VAL 14 2HG1 VAL 14 -8.237 9.529 6.030
98 HG13 VAL 14 3HG1 VAL 14 -7.254 8.308 6.837
99 HG21 VAL 14 3HG2 VAL 14 -10.403 7.684 5.066
100 HG22 VAL 14 1HG2 VAL 14 -9.683 7.089 3.571
101 HG23 VAL 14 2HG2 VAL 14 -9.625 8.810 3.952
102 H GLU 15 HN GLU 15 -6.129 5.830 5.207
103 HA GLU 15 HA GLU 15 -3.915 7.233 6.503
104 HB2 GLU 15 2HB GLU 15 -5.288 5.596 7.792
105 HB3 GLU 15 1HB GLU 15 -4.722 4.324 6.717
106 HG2 GLU 15 2HG GLU 15 -3.480 4.307 8.790
107 HG3 GLU 15 1HG GLU 15 -2.427 4.730 7.441
108 H LYS 16 HN LYS 16 -1.805 7.014 5.861
109 HA LYS 16 HA LYS 16 -1.090 4.901 3.980
110 HB2 LYS 16 2HB LYS 16 -0.021 6.721 2.485
111 HB3 LYS 16 1HB LYS 16 -1.758 6.468 2.372
112 HG2 LYS 16 2HG LYS 16 -2.146 8.392 3.815
113 HG3 LYS 16 1HG LYS 16 -0.405 8.639 3.963
114 HD2 LYS 16 2HD LYS 16 -1.726 8.584 1.274
115 HD3 LYS 16 1HD LYS 16 -1.726 10.054 2.251
116 HE2 LYS 16 2HE LYS 16 0.699 10.029 2.329
117 HE3 LYS 16 1HE LYS 16 0.735 8.518 1.424
118 HZ1 LYS 16 3HZ LYS 16 -0.275 11.129 0.434
119 HZ2 LYS 16 1HZ LYS 16 -0.321 9.678 -0.437
120 HZ3 LYS 16 2HZ LYS 16 1.166 10.374 -0.029
121 H ARG 17 HN ARG 17 0.447 4.142 5.496
122 HA ARG 17 HA ARG 17 2.882 5.683 5.659
123 HE ARG 17 HE ARG 17 1.086 9.509 8.227
124 HB2 ARG 17 2HB ARG 17 1.291 5.087 8.152
125 HB3 ARG 17 1HB ARG 17 2.997 5.512 8.171
126 HG2 ARG 17 2HG ARG 17 2.443 7.655 7.083
127 HG3 ARG 17 1HG ARG 17 0.733 7.227 7.170
128 HD2 ARG 17 2HD ARG 17 0.861 7.130 9.596
129 HD3 ARG 17 1HD ARG 17 2.586 7.489 9.535
130 HH11 ARG 17 1HH1 ARG 17 1.934 8.311 11.385
131 HH12 ARG 17 2HH1 ARG 17 1.762 9.851 12.159
132 HH21 ARG 17 2HH2 ARG 17 1.148 11.688 10.936
133 HH22 ARG 17 1HH2 ARG 17 0.856 11.542 9.234
134 H GLY 18 HN GLY 18 3.848 3.884 4.589
135 HA2 GLY 18 2HA GLY 18 4.431 1.722 6.438
136 HA3 GLY 18 1HA GLY 18 3.637 1.264 4.960
137 H LYS 19 HN LYS 19 5.066 0.185 3.868
138 HA LYS 19 HA LYS 19 7.810 1.173 3.608
139 HB2 LYS 19 2HB LYS 19 6.527 -1.509 3.455
140 HB3 LYS 19 1HB LYS 19 8.121 -1.250 2.760
141 HG2 LYS 19 2HG LYS 19 9.017 -0.669 4.915
142 HG3 LYS 19 1HG LYS 19 7.404 -0.724 5.638
143 HD2 LYS 19 2HD LYS 19 7.253 -3.108 5.032
144 HD3 LYS 19 1HD LYS 19 8.904 -3.034 4.415
145 HE2 LYS 19 2HE LYS 19 8.041 -2.518 7.260
146 HE3 LYS 19 1HE LYS 19 8.848 -3.969 6.670
147 HZ1 LYS 19 3HZ LYS 19 9.994 -1.228 6.640
148 HZ2 LYS 19 1HZ LYS 19 10.769 -2.629 6.093
149 HZ3 LYS 19 2HZ LYS 19 10.401 -2.453 7.734
150 H GLY 20 HN GLY 20 6.338 -1.102 1.498
151 HA2 GLY 20 2HA GLY 20 6.230 0.819 -0.696
152 HA3 GLY 20 1HA GLY 20 6.968 -0.772 -0.895
153 H LYS 21 HN LYS 21 5.426 -2.313 0.553
154 HA LYS 21 HA LYS 21 2.684 -2.008 -0.418
155 HB2 LYS 21 2HB LYS 21 4.585 -4.221 -0.887
156 HB3 LYS 21 1HB LYS 21 2.947 -4.699 -0.462
157 HG2 LYS 21 2HG LYS 21 3.353 -2.659 -2.589
158 HG3 LYS 21 1HG LYS 21 3.647 -4.358 -2.957
159 HD2 LYS 21 2HD LYS 21 1.349 -3.678 -3.510
160 HD3 LYS 21 1HD LYS 21 1.384 -4.921 -2.258
161 HE2 LYS 21 2HE LYS 21 1.096 -3.192 -0.546
162 HE3 LYS 21 1HE LYS 21 1.041 -1.960 -1.806
163 HZ1 LYS 21 3HZ LYS 21 -0.879 -4.214 -1.589
164 HZ2 LYS 21 1HZ LYS 21 -0.967 -2.905 -2.660
165 HZ3 LYS 21 2HZ LYS 21 -1.167 -2.656 -0.998
166 H ASP 22 HN ASP 22 4.663 -2.358 2.247
167 HA ASP 22 HA ASP 22 2.897 -3.965 3.810
168 HB2 ASP 22 2HB ASP 22 5.370 -4.112 4.059
169 HB3 ASP 22 1HB ASP 22 5.338 -2.475 4.670
170 H VAL 23 HN VAL 23 2.563 -1.055 2.746
171 HA VAL 23 HA VAL 23 1.948 0.367 5.167
172 HB VAL 23 HB VAL 23 2.954 1.502 3.243
173 HG11 VAL 23 1HG1 VAL 23 2.254 0.750 1.252
174 HG12 VAL 23 2HG1 VAL 23 0.966 1.940 1.442
175 HG13 VAL 23 3HG1 VAL 23 0.681 0.258 1.874
176 HG21 VAL 23 3HG2 VAL 23 0.193 2.608 3.514
177 HG22 VAL 23 1HG2 VAL 23 1.739 3.456 3.481
178 HG23 VAL 23 2HG2 VAL 23 1.265 2.539 4.911
179 H GLU 24 HN GLU 24 -0.121 1.324 5.509
180 HA GLU 24 HA GLU 24 -2.305 -0.413 4.598
181 HB2 GLU 24 2HB GLU 24 -3.529 0.425 6.603
182 HB3 GLU 24 1HB GLU 24 -2.072 -0.478 6.991
183 HG2 GLU 24 2HG GLU 24 -0.875 1.646 7.323
184 HG3 GLU 24 1HG GLU 24 -2.376 2.515 7.004
185 H TYR 25 HN TYR 25 -3.723 0.431 3.240
186 HA TYR 25 HA TYR 25 -4.126 3.324 3.182
187 HD1 TYR 25 HD1 TYR 25 -3.752 4.803 -0.075
188 HD2 TYR 25 HD2 TYR 25 -1.218 2.244 2.185
189 HE1 TYR 25 HE1 TYR 25 -1.885 6.354 -0.436
190 HE2 TYR 25 HE2 TYR 25 0.661 3.799 1.827
191 HH TYR 25 HH TYR 25 0.223 6.930 0.445
192 HB2 TYR 25 2HB TYR 25 -3.442 1.468 0.968
193 HB3 TYR 25 1HB TYR 25 -4.581 2.764 0.623
194 H LEU 26 HN LEU 26 -6.231 3.991 2.706
195 HA LEU 26 HA LEU 26 -8.273 2.012 3.251
196 HG LEU 26 HG LEU 26 -10.610 3.290 3.019
197 HB2 LEU 26 2HB LEU 26 -8.538 3.993 4.524
198 HB3 LEU 26 1HB LEU 26 -8.211 5.018 3.144
199 HD11 LEU 26 1HD1 LEU 26 -10.262 5.551 4.914
200 HD12 LEU 26 2HD1 LEU 26 -11.136 4.034 5.121
201 HD13 LEU 26 3HD1 LEU 26 -11.820 5.317 4.124
202 HD21 LEU 26 3HD2 LEU 26 -10.273 4.534 1.092
203 HD22 LEU 26 1HD2 LEU 26 -9.811 5.976 1.995
204 HD23 LEU 26 2HD2 LEU 26 -11.490 5.446 1.984
205 H VAL 27 HN VAL 27 -10.185 1.874 1.902
206 HA VAL 27 HA VAL 27 -9.826 2.995 -0.732
207 HB VAL 27 HB VAL 27 -9.399 1.236 -1.854
208 HG11 VAL 27 1HG1 VAL 27 -9.011 -0.154 0.773
209 HG12 VAL 27 2HG1 VAL 27 -7.835 0.869 -0.054
210 HG13 VAL 27 3HG1 VAL 27 -8.330 -0.664 -0.773
211 HG21 VAL 27 3HG2 VAL 27 -10.511 -1.021 -1.575
212 HG22 VAL 27 1HG2 VAL 27 -11.566 0.329 -1.991
213 HG23 VAL 27 2HG2 VAL 27 -11.500 -0.258 -0.334
214 H ARG 28 HN ARG 28 -11.464 4.079 -1.191
215 HA ARG 28 HA ARG 28 -14.127 3.282 -0.360
216 HE ARG 28 HE ARG 28 -15.635 6.804 -0.247
217 HB2 ARG 28 2HB ARG 28 -13.380 5.526 -2.229
218 HB3 ARG 28 1HB ARG 28 -14.865 5.361 -1.305
219 HG2 ARG 28 2HG ARG 28 -13.520 5.647 0.776
220 HG3 ARG 28 1HG ARG 28 -12.125 6.006 -0.243
221 HD2 ARG 28 2HD ARG 28 -13.219 8.049 0.547
222 HD3 ARG 28 1HD ARG 28 -13.296 7.906 -1.209
223 HH11 ARG 28 1HH1 ARG 28 -14.043 9.897 -0.122
224 HH12 ARG 28 2HH1 ARG 28 -15.518 10.800 -0.033
225 HH21 ARG 28 2HH2 ARG 28 -17.535 9.709 -0.035
226 HH22 ARG 28 1HH2 ARG 28 -17.587 7.981 -0.130
227 H TRP 29 HN TRP 29 -13.516 1.287 -1.446
228 HA TRP 29 HA TRP 29 -12.885 0.545 -3.822
229 HD1 TRP 29 HD1 TRP 29 -13.133 -1.070 -5.414
230 HE1 TRP 29 HE1 TRP 29 -14.165 -2.997 -6.781
231 HE3 TRP 29 HE3 TRP 29 -16.947 -2.362 -2.258
232 HZ2 TRP 29 HZ2 TRP 29 -16.308 -4.817 -6.551
233 HZ3 TRP 29 HZ3 TRP 29 -18.441 -4.206 -2.907
234 HH2 TRP 29 HH2 TRP 29 -18.127 -5.407 -5.010
235 HB2 TRP 29 2HB TRP 29 -13.797 -0.978 -2.200
236 HB3 TRP 29 1HB TRP 29 -15.403 -0.297 -2.444
237 H LYS 30 HN LYS 30 -13.063 2.142 -5.312
238 HA LYS 30 HA LYS 30 -14.949 3.671 -6.337
239 HB2 LYS 30 2HB LYS 30 -12.820 3.188 -7.504
240 HB3 LYS 30 1HB LYS 30 -13.518 1.703 -8.125
241 HG2 LYS 30 2HG LYS 30 -15.160 2.953 -9.377
242 HG3 LYS 30 1HG LYS 30 -14.572 4.467 -8.685
243 HD2 LYS 30 2HD LYS 30 -12.378 4.064 -9.738
244 HD3 LYS 30 1HD LYS 30 -13.019 2.591 -10.469
245 HE2 LYS 30 2HE LYS 30 -14.676 3.905 -11.686
246 HE3 LYS 30 1HE LYS 30 -14.076 5.380 -10.929
247 HZ1 LYS 30 3HZ LYS 30 -11.941 5.017 -12.009
248 HZ2 LYS 30 1HZ LYS 30 -13.186 5.111 -13.153
249 HZ3 LYS 30 2HZ LYS 30 -12.526 3.609 -12.741
250 H ASP 31 HN ASP 31 -15.147 0.165 -6.624
251 HA ASP 31 HA ASP 31 -17.852 0.446 -7.755
252 HB2 ASP 31 2HB ASP 31 -15.990 -1.941 -7.826
253 HB3 ASP 31 1HB ASP 31 -17.599 -1.878 -8.539
254 H GLY 32 HN GLY 32 -17.921 0.985 -5.208
255 HA2 GLY 32 2HA GLY 32 -19.150 -1.378 -4.005
256 HA3 GLY 32 1HA GLY 32 -17.818 -0.633 -3.126
257 H GLY 33 HN GLY 33 -19.341 -0.303 -1.406
258 HA2 GLY 33 2HA GLY 33 -20.708 2.262 -1.705
259 HA3 GLY 33 1HA GLY 33 -21.688 0.894 -1.202
260 H ASP 34 HN ASP 34 -18.397 0.972 -0.184
261 HA ASP 34 HA ASP 34 -19.014 2.246 2.355
262 HB2 ASP 34 2HB ASP 34 -18.078 -0.627 2.187
263 HB3 ASP 34 1HB ASP 34 -18.209 0.316 3.669
264 H CYS 35 HN CYS 35 -16.839 1.714 3.809
265 HA CYS 35 HA CYS 35 -14.474 2.025 2.130
266 HG CYS 35 HG CYS 35 -16.398 5.689 2.667
267 HB2 CYS 35 2HB CYS 35 -15.218 4.058 4.244
268 HB3 CYS 35 1HB CYS 35 -13.756 4.063 3.265
269 H GLU 36 HN GLU 36 -12.671 1.169 3.018
270 HA GLU 36 HA GLU 36 -12.514 0.700 5.880
271 HB2 GLU 36 2HB GLU 36 -12.422 -1.569 3.884
272 HB3 GLU 36 1HB GLU 36 -12.021 -1.709 5.590
273 HG2 GLU 36 2HG GLU 36 -14.318 -1.051 6.163
274 HG3 GLU 36 1HG GLU 36 -14.707 -0.983 4.444
275 H TRP 37 HN TRP 37 -10.351 -0.600 6.294
276 HA TRP 37 HA TRP 37 -8.281 0.858 4.831
277 HD1 TRP 37 HD1 TRP 37 -8.858 2.751 5.952
278 HE1 TRP 37 HE1 TRP 37 -9.594 4.313 7.860
279 HE3 TRP 37 HE3 TRP 37 -7.895 -0.316 9.923
280 HZ2 TRP 37 HZ2 TRP 37 -9.748 4.251 10.677
281 HZ3 TRP 37 HZ3 TRP 37 -8.364 0.512 12.193
282 HH2 TRP 37 HH2 TRP 37 -9.271 2.749 12.561
283 HB2 TRP 37 2HB TRP 37 -8.102 -0.703 7.416
284 HB3 TRP 37 1HB TRP 37 -6.827 0.283 6.713
285 H VAL 38 HN VAL 38 -6.467 -0.155 3.953
286 HA VAL 38 HA VAL 38 -6.902 -2.923 3.164
287 HB VAL 38 HB VAL 38 -4.747 -0.968 2.323
288 HG11 VAL 38 1HG1 VAL 38 -4.383 -2.689 0.494
289 HG12 VAL 38 2HG1 VAL 38 -5.321 -3.801 1.482
290 HG13 VAL 38 3HG1 VAL 38 -3.812 -3.130 2.100
291 HG21 VAL 38 3HG2 VAL 38 -7.237 -0.683 1.616
292 HG22 VAL 38 1HG2 VAL 38 -6.893 -2.042 0.547
293 HG23 VAL 38 2HG2 VAL 38 -5.962 -0.551 0.404
294 H LYS 39 HN LYS 39 -5.124 -4.479 3.293
295 HA LYS 39 HA LYS 39 -4.110 -4.593 5.917
296 HB2 LYS 39 2HB LYS 39 -4.725 -6.612 4.698
297 HB3 LYS 39 1HB LYS 39 -3.465 -6.298 3.512
298 HG2 LYS 39 2HG LYS 39 -1.755 -6.639 5.181
299 HG3 LYS 39 1HG LYS 39 -2.983 -6.842 6.433
300 HD2 LYS 39 2HD LYS 39 -3.825 -8.829 5.303
301 HD3 LYS 39 1HD LYS 39 -2.637 -8.615 4.016
302 HE2 LYS 39 2HE LYS 39 -0.828 -8.938 5.610
303 HE3 LYS 39 1HE LYS 39 -1.995 -9.091 6.924
304 HZ1 LYS 39 3HZ LYS 39 -1.786 -10.920 4.593
305 HZ2 LYS 39 1HZ LYS 39 -2.870 -11.077 5.883
306 HZ3 LYS 39 2HZ LYS 39 -1.208 -11.248 6.148
307 H GLY 40 HN GLY 40 -2.654 -3.204 6.556
308 HA2 GLY 40 2HA GLY 40 -0.394 -2.532 4.867
309 HA3 GLY 40 1HA GLY 40 -0.785 -1.802 6.414
310 H VAL 41 HN VAL 41 -0.480 -5.243 5.720
311 HA VAL 41 HA VAL 41 1.874 -5.326 7.488
312 HB VAL 41 HB VAL 41 0.157 -7.724 6.972
313 HG11 VAL 41 1HG1 VAL 41 1.902 -6.872 9.277
314 HG12 VAL 41 2HG1 VAL 41 2.295 -8.072 8.046
315 HG13 VAL 41 3HG1 VAL 41 0.990 -8.379 9.191
316 HG21 VAL 41 3HG2 VAL 41 -1.168 -7.213 8.967
317 HG22 VAL 41 1HG2 VAL 41 -1.397 -5.991 7.717
318 HG23 VAL 41 2HG2 VAL 41 -0.363 -5.649 9.104
319 H HIS 42 HN HIS 42 1.115 -5.364 4.340
320 HA HIS 42 HA HIS 42 2.413 -7.701 3.415
321 HD1 HIS 42 HD1 HIS 42 2.042 -7.285 -0.533
322 HD2 HIS 42 HD2 HIS 42 -0.398 -8.148 2.717
323 HE1 HIS 42 HE1 HIS 42 0.611 -9.221 -1.260
324 HE2 HIS 42 HE2 HIS 42 -0.889 -9.696 0.705
325 HB2 HIS 42 2HB HIS 42 1.010 -5.452 2.280
326 HB3 HIS 42 1HB HIS 42 2.489 -5.774 1.370
327 H VAL 43 HN VAL 43 4.180 -7.612 4.756
328 HA VAL 43 HA VAL 43 6.146 -5.672 4.817
329 HB VAL 43 HB VAL 43 6.568 -8.638 5.107
330 HG11 VAL 43 1HG1 VAL 43 8.662 -7.443 4.846
331 HG12 VAL 43 2HG1 VAL 43 8.480 -7.990 6.512
332 HG13 VAL 43 3HG1 VAL 43 8.191 -6.300 6.103
333 HG21 VAL 43 3HG2 VAL 43 5.789 -6.546 7.133
334 HG22 VAL 43 1HG2 VAL 43 6.296 -8.187 7.533
335 HG23 VAL 43 2HG2 VAL 43 4.825 -7.922 6.599
336 H ALA 44 HN ALA 44 6.138 -5.024 2.554
337 HA ALA 44 HA ALA 44 7.789 -6.662 0.817
338 HB1 ALA 44 3HB ALA 44 5.800 -5.499 -0.105
339 HB2 ALA 44 1HB ALA 44 7.301 -5.029 -0.901
340 HB3 ALA 44 2HB ALA 44 6.560 -3.956 0.285
341 H GLU 45 HN GLU 45 9.208 -6.190 2.896
342 HA GLU 45 HA GLU 45 10.557 -3.832 3.297
343 HB2 GLU 45 2HB GLU 45 10.825 -5.786 4.748
344 HB3 GLU 45 1HB GLU 45 11.668 -6.642 3.463
345 HG2 GLU 45 2HG GLU 45 13.457 -4.972 3.538
346 HG3 GLU 45 1HG GLU 45 12.619 -4.145 4.849
347 H ASP 46 HN ASP 46 10.761 -6.018 0.643
348 HA ASP 46 HA ASP 46 13.302 -5.213 -0.343
349 HB2 ASP 46 2HB ASP 46 10.918 -6.335 -1.834
350 HB3 ASP 46 1HB ASP 46 12.553 -6.210 -2.475
351 H VAL 47 HN VAL 47 9.982 -4.232 -1.162
352 HA VAL 47 HA VAL 47 10.604 -2.341 -3.129
353 HB VAL 47 HB VAL 47 8.310 -2.216 -1.180
354 HG11 VAL 47 1HG1 VAL 47 7.172 -1.081 -3.103
355 HG12 VAL 47 2HG1 VAL 47 8.742 -1.009 -3.906
356 HG13 VAL 47 3HG1 VAL 47 8.491 -0.168 -2.377
357 HG21 VAL 47 3HG2 VAL 47 8.416 -3.593 -3.865
358 HG22 VAL 47 1HG2 VAL 47 7.030 -3.513 -2.779
359 HG23 VAL 47 2HG2 VAL 47 8.468 -4.415 -2.309
360 H ALA 48 HN ALA 48 10.723 -2.165 0.286
361 HA ALA 48 HA ALA 48 11.016 0.695 0.547
362 HB1 ALA 48 3HB ALA 48 11.280 0.119 2.969
363 HB2 ALA 48 1HB ALA 48 10.977 -1.560 2.528
364 HB3 ALA 48 2HB ALA 48 9.737 -0.338 2.251
365 H LYS 49 HN LYS 49 12.848 -2.192 1.500
366 HA LYS 49 HA LYS 49 15.235 -0.945 2.147
367 HB2 LYS 49 2HB LYS 49 14.735 -3.313 2.651
368 HB3 LYS 49 1HB LYS 49 14.870 -3.697 0.940
369 HG2 LYS 49 2HG LYS 49 17.223 -3.009 0.982
370 HG3 LYS 49 1HG LYS 49 17.081 -2.665 2.707
371 HD2 LYS 49 2HD LYS 49 16.606 -5.361 1.435
372 HD3 LYS 49 1HD LYS 49 18.100 -4.872 2.235
373 HE2 LYS 49 2HE LYS 49 15.395 -4.919 3.563
374 HE3 LYS 49 1HE LYS 49 16.572 -6.226 3.663
375 HZ1 LYS 49 3HZ LYS 49 17.044 -3.437 4.571
376 HZ2 LYS 49 1HZ LYS 49 18.119 -4.734 4.726
377 HZ3 LYS 49 2HZ LYS 49 16.662 -4.737 5.584
378 H ASP 50 HN ASP 50 13.866 -1.845 -0.921
379 HA ASP 50 HA ASP 50 16.302 -1.106 -2.320
380 HB2 ASP 50 2HB ASP 50 15.414 -2.087 -4.229
381 HB3 ASP 50 1HB ASP 50 14.760 -3.088 -2.942
382 H TYR 51 HN TYR 51 13.217 0.196 -1.438
383 HA TYR 51 HA TYR 51 13.064 2.200 -3.375
384 HD1 TYR 51 HD1 TYR 51 11.823 3.495 -4.125
385 HD2 TYR 51 HD2 TYR 51 9.296 1.578 -1.290
386 HE1 TYR 51 HE1 TYR 51 9.931 3.697 -5.682
387 HE2 TYR 51 HE2 TYR 51 7.398 1.779 -2.836
388 HH TYR 51 HH TYR 51 6.702 3.124 -4.739
389 HB2 TYR 51 2HB TYR 51 11.668 1.589 -0.981
390 HB3 TYR 51 1HB TYR 51 11.927 3.302 -1.075
391 H GLU 52 HN GLU 52 13.848 2.446 0.027
392 HA GLU 52 HA GLU 52 15.185 4.967 -0.393
393 HB2 GLU 52 2HB GLU 52 15.191 5.194 2.021
394 HB3 GLU 52 1HB GLU 52 13.584 4.779 1.446
395 HG2 GLU 52 2HG GLU 52 14.003 2.430 2.075
396 HG3 GLU 52 1HG GLU 52 15.565 2.914 2.729
397 H ASP 53 HN ASP 53 15.893 1.838 1.084
398 HA ASP 53 HA ASP 53 18.668 2.457 1.449
399 HB2 ASP 53 2HB ASP 53 17.799 1.051 3.088
400 HB3 ASP 53 1HB ASP 53 16.916 0.074 1.926
401 H GLY 54 HN GLY 54 16.851 1.489 -1.224
402 HA2 GLY 54 2HA GLY 54 18.992 -0.072 -2.437
403 HA3 GLY 54 1HA GLY 54 17.418 0.262 -3.143
404 H LEU 55 HN LEU 55 17.471 3.092 -2.774
405 HA LEU 55 HA LEU 55 19.160 3.795 -5.021
406 HG LEU 55 HG LEU 55 16.106 3.660 -4.797
407 HB2 LEU 55 2HB LEU 55 17.184 5.437 -3.431
408 HB3 LEU 55 1HB LEU 55 18.022 5.991 -4.868
409 HD11 LEU 55 1HD1 LEU 55 15.702 6.483 -5.778
410 HD12 LEU 55 2HD1 LEU 55 14.941 5.749 -4.365
411 HD13 LEU 55 3HD1 LEU 55 14.566 5.149 -5.981
412 HD21 LEU 55 3HD2 LEU 55 17.396 5.105 -7.109
413 HD22 LEU 55 1HD2 LEU 55 16.214 3.801 -7.228
414 HD23 LEU 55 2HD2 LEU 55 17.808 3.487 -6.542
415 H GLU 56 HN GLU 56 18.568 5.319 -1.845
416 HA GLU 56 HA GLU 56 21.229 6.484 -1.922
417 HB2 GLU 56 2HB GLU 56 18.943 6.810 0.005
418 HB3 GLU 56 1HB GLU 56 20.495 7.606 0.200
419 HG2 GLU 56 2HG GLU 56 18.900 9.123 -0.776
420 HG3 GLU 56 1HG GLU 56 20.166 8.746 -1.942
421 H TYR 57 HN TYR 57 21.788 4.001 -1.837
422 HA TYR 57 HA TYR 57 21.781 2.854 0.803
423 HD1 TYR 57 HD1 TYR 57 21.487 -0.049 0.824
424 HD2 TYR 57 HD2 TYR 57 25.238 1.129 -0.800
425 HE1 TYR 57 HE1 TYR 57 22.592 -1.844 2.089
426 HE2 TYR 57 HE2 TYR 57 26.353 -0.665 0.460
427 HH TYR 57 HH TYR 57 24.669 -3.184 1.952
428 HB2 TYR 57 2HB TYR 57 21.632 1.408 -1.163
429 HB3 TYR 57 1HB TYR 57 23.197 1.984 -1.726
430 HA ALA 1 HA ALA 1 -16.379 -10.149 -1.948
431 H1 ALA 1 1H ALA 1 -15.286 -8.962 -4.000
432 H2 ALA 1 2H ALA 1 -16.114 -10.429 -4.139
433 H3 ALA 1 3H ALA 1 -14.425 -10.418 -4.082
434 HB1 ALA 1 3HB ALA 1 -14.865 -11.521 -0.730
435 HB2 ALA 1 1HB ALA 1 -13.576 -11.246 -1.902
436 HB3 ALA 1 2HB ALA 1 -14.996 -12.185 -2.358
437 HA PRO 2 HA PRO 2 -12.484 -7.446 -0.440
438 HB2 PRO 2 1HB PRO 2 -10.896 -6.549 -1.846
439 HB3 PRO 2 2HB PRO 2 -12.078 -6.168 -3.104
440 HG2 PRO 2 2HG PRO 2 -11.071 -8.045 -4.042
441 HG3 PRO 2 1HG PRO 2 -10.766 -8.781 -2.458
442 HD2 PRO 2 2HD PRO 2 -13.270 -8.730 -4.075
443 HD3 PRO 2 1HD PRO 2 -12.634 -10.001 -3.013
444 HA PRO 3 HA PRO 3 -16.053 -4.603 -0.576
445 HB2 PRO 3 1HB PRO 3 -16.936 -4.918 1.483
446 HB3 PRO 3 2HB PRO 3 -15.522 -4.192 2.249
447 HG2 PRO 3 2HG PRO 3 -15.159 -6.337 2.978
448 HG3 PRO 3 1HG PRO 3 -16.096 -7.043 1.649
449 HD2 PRO 3 2HD PRO 3 -13.247 -6.115 1.677
450 HD3 PRO 3 1HD PRO 3 -13.953 -7.562 0.924
451 H GLY 4 HN GLY 4 -13.207 -3.997 1.502
452 HA2 GLY 4 2HA GLY 4 -12.997 -1.333 0.261
453 HA3 GLY 4 1HA GLY 4 -12.941 -1.501 2.008
454 H THR 5 HN THR 5 -11.383 -2.947 -0.849
455 HA THR 5 HA THR 5 -8.777 -2.287 0.208
456 HB THR 5 HB THR 5 -7.923 -4.622 0.011
457 HG1 THR 5 HG1 THR 5 -9.233 -6.175 -0.604
458 HG21 THR 5 3HG2 THR 5 -8.836 -5.409 2.148
459 HG22 THR 5 1HG2 THR 5 -10.133 -4.221 2.030
460 HG23 THR 5 2HG2 THR 5 -8.461 -3.686 2.204
461 H ALA 6 HN ALA 6 -7.018 -3.222 -1.318
462 HA ALA 6 HA ALA 6 -7.689 -3.825 -4.004
463 HB1 ALA 6 3HB ALA 6 -7.897 -1.101 -3.369
464 HB2 ALA 6 1HB ALA 6 -7.909 -1.838 -4.971
465 HB3 ALA 6 2HB ALA 6 -6.393 -1.275 -4.272
466 H ARG 7 HN ARG 7 -5.408 -2.605 -5.241
467 HA ARG 7 HA ARG 7 -3.060 -3.209 -3.706
468 HE ARG 7 HE ARG 7 -4.820 -7.174 -4.973
469 HB2 ARG 7 2HB ARG 7 -2.269 -5.066 -5.093
470 HB3 ARG 7 1HB ARG 7 -3.769 -5.483 -4.274
471 HG2 ARG 7 2HG ARG 7 -5.015 -5.049 -6.330
472 HG3 ARG 7 1HG ARG 7 -3.512 -4.630 -7.152
473 HD2 ARG 7 2HD ARG 7 -4.164 -6.915 -7.670
474 HD3 ARG 7 1HD ARG 7 -2.662 -6.890 -6.745
475 HH11 ARG 7 1HH1 ARG 7 -3.147 -8.953 -7.458
476 HH12 ARG 7 2HH1 ARG 7 -3.509 -10.502 -6.772
477 HH21 ARG 7 2HH2 ARG 7 -4.735 -10.648 -4.843
478 HH22 ARG 7 1HH2 ARG 7 -5.301 -9.209 -4.062
479 H ARG 8 HN ARG 8 -1.509 -1.863 -4.391
480 HA ARG 8 HA ARG 8 -1.882 -0.370 -6.819
481 HE ARG 8 HE ARG 8 1.610 1.364 -7.126
482 HB2 ARG 8 2HB ARG 8 -0.558 0.064 -4.402
483 HB3 ARG 8 1HB ARG 8 0.727 -0.037 -5.598
484 HG2 ARG 8 2HG ARG 8 -1.622 1.842 -5.609
485 HG3 ARG 8 1HG ARG 8 0.076 2.248 -5.360
486 HD2 ARG 8 2HD ARG 8 -0.998 1.013 -7.888
487 HD3 ARG 8 1HD ARG 8 -0.820 2.749 -7.650
488 HH11 ARG 8 1HH1 ARG 8 -0.428 2.559 -9.685
489 HH12 ARG 8 2HH1 ARG 8 0.874 2.739 -10.813
490 HH21 ARG 8 2HH2 ARG 8 3.012 2.193 -10.198
491 HH22 ARG 8 1HH2 ARG 8 3.331 1.604 -8.601
492 H LYS 9 HN LYS 9 0.227 -2.984 -5.750
493 HA LYS 9 HA LYS 9 1.068 -3.324 -8.533
494 HB2 LYS 9 2HB LYS 9 2.974 -3.401 -6.180
495 HB3 LYS 9 1HB LYS 9 3.388 -3.756 -7.850
496 HG2 LYS 9 2HG LYS 9 2.940 -1.469 -8.490
497 HG3 LYS 9 1HG LYS 9 2.406 -1.091 -6.850
498 HD2 LYS 9 2HD LYS 9 4.647 -1.625 -6.007
499 HD3 LYS 9 1HD LYS 9 5.175 -1.989 -7.649
500 HE2 LYS 9 2HE LYS 9 4.739 0.311 -8.314
501 HE3 LYS 9 1HE LYS 9 4.156 0.684 -6.691
502 HZ1 LYS 9 3HZ LYS 9 6.433 1.410 -6.986
503 HZ2 LYS 9 1HZ LYS 9 6.916 -0.158 -7.399
504 HZ3 LYS 9 2HZ LYS 9 6.365 0.174 -5.835
505 H ARG 10 HN ARG 10 2.687 -5.499 -8.313
506 HA ARG 10 HA ARG 10 0.965 -7.647 -8.045
507 HE ARG 10 HE ARG 10 6.791 -7.128 -6.823
508 HB2 ARG 10 2HB ARG 10 3.004 -9.047 -7.965
509 HB3 ARG 10 1HB ARG 10 3.083 -7.825 -9.229
510 HG2 ARG 10 2HG ARG 10 4.614 -6.522 -8.035
511 HG3 ARG 10 1HG ARG 10 4.283 -7.366 -6.518
512 HD2 ARG 10 2HD ARG 10 5.303 -9.397 -7.437
513 HD3 ARG 10 1HD ARG 10 5.626 -8.552 -8.951
514 HH11 ARG 10 1HH1 ARG 10 7.167 -10.095 -8.609
515 HH12 ARG 10 2HH1 ARG 10 8.876 -10.195 -8.336
516 HH21 ARG 10 2HH2 ARG 10 9.941 -8.576 -7.115
517 HH22 ARG 10 1HH2 ARG 10 9.041 -7.250 -6.459
518 H LYS 11 HN LYS 11 2.730 -5.900 -5.647
519 HA LYS 11 HA LYS 11 2.608 -5.918 -3.383
520 HB2 LYS 11 2HB LYS 11 0.815 -8.336 -3.583
521 HB3 LYS 11 1HB LYS 11 1.025 -7.275 -2.200
522 HG2 LYS 11 2HG LYS 11 0.189 -5.434 -3.848
523 HG3 LYS 11 1HG LYS 11 -0.481 -6.814 -4.721
524 HD2 LYS 11 2HD LYS 11 -0.960 -6.216 -1.808
525 HD3 LYS 11 1HD LYS 11 -2.076 -5.810 -3.114
526 HE2 LYS 11 2HE LYS 11 -2.199 -8.214 -3.694
527 HE3 LYS 11 1HE LYS 11 -1.171 -8.572 -2.308
528 HZ1 LYS 11 3HZ LYS 11 -2.875 -7.592 -0.870
529 HZ2 LYS 11 1HZ LYS 11 -3.474 -8.909 -1.747
530 HZ3 LYS 11 2HZ LYS 11 -3.868 -7.332 -2.214
531 H ALA 12 HN ALA 12 4.765 -6.388 -3.244
532 HA ALA 12 HA ALA 12 5.616 -9.170 -3.257
533 HB1 ALA 12 3HB ALA 12 6.880 -7.184 -4.326
534 HB2 ALA 12 1HB ALA 12 7.800 -8.395 -3.431
535 HB3 ALA 12 2HB ALA 12 7.414 -6.847 -2.678
536 H ASP 13 HN ASP 13 4.516 -9.837 -1.316
537 HA ASP 13 HA ASP 13 5.665 -8.714 1.150
538 HB2 ASP 13 2HB ASP 13 3.703 -9.673 2.308
539 HB3 ASP 13 1HB ASP 13 3.239 -8.523 1.058
540 H SER 14 HN SER 14 7.445 -9.872 1.560
541 HA SER 14 HA SER 14 8.079 -12.437 0.891
542 HG SER 14 HG SER 14 9.775 -13.345 2.210
543 HB2 SER 14 2HB SER 14 9.682 -10.900 1.916
544 HB3 SER 14 1HB SER 14 8.827 -11.009 3.454
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 9.039 4.742 -6.612
2 H2 GLY 1 2H GLY 1 9.173 4.158 -8.195
3 H3 GLY 1 3H GLY 1 9.580 5.763 -7.849
4 HA2 GLY 1 1HA GLY 1 11.022 3.328 -6.941
5 HA3 GLY 1 2HA GLY 1 11.583 4.503 -8.122
6 H SER 2 HN SER 2 10.112 4.845 -4.863
7 HA SER 2 HA SER 2 12.326 5.542 -3.418
8 HG SER 2 HG SER 2 13.111 8.343 -2.964
9 HB2 SER 2 2HB SER 2 12.983 7.290 -4.798
10 HB3 SER 2 1HB SER 2 11.331 7.861 -5.031
11 H GLN 3 HN GLN 3 8.946 5.662 -3.842
12 HA GLN 3 HA GLN 3 8.460 7.005 -1.344
13 HB2 GLN 3 2HB GLN 3 6.628 5.670 -3.302
14 HB3 GLN 3 1HB GLN 3 6.070 6.439 -1.828
15 HG2 GLN 3 2HG GLN 3 6.895 8.576 -2.598
16 HG3 GLN 3 1HG GLN 3 7.565 7.824 -4.043
17 HE21 GLN 3 2HE2 GLN 3 4.553 7.715 -5.791
18 HE22 GLN 3 1HE2 GLN 3 6.195 7.188 -5.694
19 H VAL 4 HN VAL 4 7.860 6.060 0.549
20 HA VAL 4 HA VAL 4 8.409 3.202 0.715
21 HB VAL 4 HB VAL 4 9.630 4.857 2.173
22 HG11 VAL 4 1HG1 VAL 4 7.511 6.209 2.606
23 HG12 VAL 4 2HG1 VAL 4 8.598 5.941 3.966
24 HG13 VAL 4 3HG1 VAL 4 7.124 4.987 3.817
25 HG21 VAL 4 3HG2 VAL 4 8.084 2.585 3.347
26 HG22 VAL 4 1HG2 VAL 4 9.273 3.481 4.284
27 HG23 VAL 4 2HG2 VAL 4 9.762 2.617 2.827
28 H PHE 5 HN PHE 5 5.993 3.797 -0.449
29 HA PHE 5 HA PHE 5 4.188 2.309 1.109
30 1HB PHE 5 2HB PHE 5 2.513 4.273 1.393
31 2HB PHE 5 1HB PHE 5 3.833 4.120 2.545
32 HD1 PHE 5 HD1 PHE 5 3.776 4.575 2.985
33 HD2 PHE 5 HD2 PHE 5 4.569 6.932 -0.466
34 HE1 PHE 5 HE1 PHE 5 6.064 4.979 3.793
35 HE2 PHE 5 HE2 PHE 5 6.859 7.340 0.333
36 HZ PHE 5 HZ PHE 5 5.158 9.323 0.393
37 H GLU 6 HN GLU 6 2.208 1.913 0.012
38 HA GLU 6 HA GLU 6 1.906 3.082 -2.665
39 HB2 GLU 6 2HB GLU 6 2.296 0.240 -1.936
40 HB3 GLU 6 1HB GLU 6 1.055 0.573 -3.136
41 HG2 GLU 6 2HG GLU 6 3.271 0.077 -4.104
42 HG3 GLU 6 1HG GLU 6 2.617 1.647 -4.568
43 H TYR 7 HN TYR 7 -0.227 3.315 -3.391
44 HA TYR 7 HA TYR 7 -2.180 3.084 -1.296
45 HD1 TYR 7 HD1 TYR 7 -4.520 3.745 -4.738
46 HD2 TYR 7 HD2 TYR 7 -0.473 5.046 -4.551
47 HE1 TYR 7 HE1 TYR 7 -4.434 3.813 -7.194
48 HE2 TYR 7 HE2 TYR 7 -0.377 5.118 -7.007
49 HH TYR 7 HH TYR 7 -1.539 4.091 -8.926
50 HB2 TYR 7 2HB TYR 7 -3.584 4.478 -2.665
51 HB3 TYR 7 1HB TYR 7 -1.976 5.177 -2.584
52 H ALA 8 HN ALA 8 -3.050 1.168 -1.034
53 HA ALA 8 HA ALA 8 -3.707 -0.488 -3.352
54 HB1 ALA 8 3HB ALA 8 -2.942 -1.960 -1.791
55 HB2 ALA 8 1HB ALA 8 -4.624 -1.931 -1.270
56 HB3 ALA 8 2HB ALA 8 -3.428 -0.950 -0.429
57 H GLU 9 HN GLU 9 -5.136 1.696 -3.609
58 HA GLU 9 HA GLU 9 -7.779 1.145 -2.501
59 HB2 GLU 9 2HB GLU 9 -7.559 3.211 -1.708
60 HB3 GLU 9 1HB GLU 9 -6.140 3.506 -2.685
61 HG2 GLU 9 2HG GLU 9 -8.957 3.806 -3.657
62 HG3 GLU 9 1HG GLU 9 -7.982 5.112 -3.017
63 H VAL 10 HN VAL 10 -9.588 1.653 -3.691
64 HA VAL 10 HA VAL 10 -9.268 0.986 -6.472
65 HB VAL 10 HB VAL 10 -11.708 0.984 -4.777
66 HG11 VAL 10 1HG1 VAL 10 -11.661 -0.554 -7.280
67 HG12 VAL 10 2HG1 VAL 10 -11.657 1.196 -7.482
68 HG13 VAL 10 3HG1 VAL 10 -12.955 0.417 -6.582
69 HG21 VAL 10 3HG2 VAL 10 -10.239 -0.707 -4.005
70 HG22 VAL 10 1HG2 VAL 10 -9.850 -1.204 -5.652
71 HG23 VAL 10 2HG2 VAL 10 -11.455 -1.513 -4.994
72 H ASP 11 HN ASP 11 -10.597 3.430 -4.385
73 HA ASP 11 HA ASP 11 -10.632 5.263 -6.670
74 HB2 ASP 11 2HB ASP 11 -12.948 4.475 -6.220
75 HB3 ASP 11 1HB ASP 11 -12.822 5.130 -4.594
76 H GLU 12 HN GLU 12 -10.495 4.866 -3.146
77 HA GLU 12 HA GLU 12 -8.908 7.266 -2.928
78 HB2 GLU 12 2HB GLU 12 -11.693 7.180 -1.784
79 HB3 GLU 12 1HB GLU 12 -10.462 8.294 -1.205
80 HG2 GLU 12 2HG GLU 12 -10.283 9.261 -3.443
81 HG3 GLU 12 1HG GLU 12 -11.522 8.146 -4.019
82 H ILE 13 HN ILE 13 -8.013 7.627 -0.797
83 HA ILE 13 HA ILE 13 -8.248 5.309 1.005
84 HB ILE 13 HB ILE 13 -5.871 5.171 1.346
85 HG12 ILE 13 2HG1 ILE 13 -5.460 7.656 1.275
86 HG13 ILE 13 1HG1 ILE 13 -4.273 6.729 0.366
87 HG21 ILE 13 1HG2 ILE 13 -5.174 5.268 -1.283
88 HG22 ILE 13 2HG2 ILE 13 -6.928 5.147 -1.382
89 HG23 ILE 13 3HG2 ILE 13 -6.007 3.925 -0.507
90 HD11 ILE 13 3HD1 ILE 13 -6.359 8.595 -0.592
91 HD12 ILE 13 1HD1 ILE 13 -5.940 7.223 -1.622
92 HD13 ILE 13 2HD1 ILE 13 -4.695 8.375 -1.134
93 H VAL 14 HN VAL 14 -6.585 6.121 3.011
94 HA VAL 14 HA VAL 14 -7.165 8.875 3.705
95 HB VAL 14 HB VAL 14 -8.222 6.585 5.373
96 HG11 VAL 14 1HG1 VAL 14 -7.226 8.304 6.797
97 HG12 VAL 14 2HG1 VAL 14 -8.984 8.294 6.950
98 HG13 VAL 14 3HG1 VAL 14 -8.189 9.541 5.988
99 HG21 VAL 14 3HG2 VAL 14 -9.620 8.863 3.973
100 HG22 VAL 14 1HG2 VAL 14 -10.397 7.679 5.024
101 HG23 VAL 14 2HG2 VAL 14 -9.664 7.164 3.505
102 H GLU 15 HN GLU 15 -5.969 5.765 4.908
103 HA GLU 15 HA GLU 15 -3.821 7.159 6.340
104 HB2 GLU 15 2HB GLU 15 -5.046 5.503 7.639
105 HB3 GLU 15 1HB GLU 15 -4.727 4.274 6.422
106 HG2 GLU 15 2HG GLU 15 -3.278 3.991 8.343
107 HG3 GLU 15 1HG GLU 15 -2.342 4.402 6.906
108 H LYS 16 HN LYS 16 -1.669 6.916 5.769
109 HA LYS 16 HA LYS 16 -0.972 4.955 3.735
110 HB2 LYS 16 2HB LYS 16 0.138 6.797 2.370
111 HB3 LYS 16 1HB LYS 16 -1.616 6.705 2.291
112 HG2 LYS 16 2HG LYS 16 -1.832 8.561 3.801
113 HG3 LYS 16 1HG LYS 16 -0.087 8.597 4.065
114 HD2 LYS 16 2HD LYS 16 -1.413 9.036 1.392
115 HD3 LYS 16 1HD LYS 16 -0.911 10.333 2.478
116 HE2 LYS 16 2HE LYS 16 0.920 8.230 1.332
117 HE3 LYS 16 1HE LYS 16 0.738 9.863 0.695
118 HZ1 LYS 16 3HZ LYS 16 1.519 10.732 2.812
119 HZ2 LYS 16 1HZ LYS 16 2.665 9.690 2.133
120 HZ3 LYS 16 2HZ LYS 16 1.698 9.163 3.416
121 H ARG 17 HN ARG 17 0.462 4.079 5.364
122 HA ARG 17 HA ARG 17 3.010 5.451 5.501
123 HE ARG 17 HE ARG 17 5.454 5.904 9.828
124 HB2 ARG 17 2HB ARG 17 1.792 6.387 7.436
125 HB3 ARG 17 1HB ARG 17 1.538 4.760 8.050
126 HG2 ARG 17 2HG ARG 17 3.933 4.465 8.324
127 HG3 ARG 17 1HG ARG 17 4.220 6.070 7.650
128 HD2 ARG 17 2HD ARG 17 2.918 7.045 9.506
129 HD3 ARG 17 1HD ARG 17 2.724 5.431 10.190
130 HH11 ARG 17 1HH1 ARG 17 2.799 7.077 11.751
131 HH12 ARG 17 2HH1 ARG 17 3.801 7.531 13.090
132 HH21 ARG 17 2HH2 ARG 17 6.066 7.200 12.996
133 HH22 ARG 17 1HH2 ARG 17 6.782 6.498 11.585
134 H GLY 18 HN GLY 18 3.915 3.644 4.399
135 HA2 GLY 18 2HA GLY 18 4.285 1.336 6.135
136 HA3 GLY 18 1HA GLY 18 3.456 1.031 4.632
137 H LYS 19 HN LYS 19 4.733 -0.058 3.404
138 HA LYS 19 HA LYS 19 7.505 0.819 2.962
139 HB2 LYS 19 2HB LYS 19 6.254 -1.900 3.173
140 HB3 LYS 19 1HB LYS 19 7.900 -1.651 2.591
141 HG2 LYS 19 2HG LYS 19 8.538 -0.688 4.719
142 HG3 LYS 19 1HG LYS 19 6.880 -0.848 5.307
143 HD2 LYS 19 2HD LYS 19 7.030 -3.269 5.022
144 HD3 LYS 19 1HD LYS 19 8.695 -3.097 4.472
145 HE2 LYS 19 2HE LYS 19 7.644 -2.288 7.181
146 HE3 LYS 19 1HE LYS 19 8.570 -3.748 6.840
147 HZ1 LYS 19 3HZ LYS 19 9.537 -0.965 6.461
148 HZ2 LYS 19 1HZ LYS 19 10.427 -2.370 6.150
149 HZ3 LYS 19 2HZ LYS 19 9.970 -1.992 7.733
150 H GLY 20 HN GLY 20 6.885 -1.773 1.008
151 HA2 GLY 20 2HA GLY 20 6.394 -0.067 -1.282
152 HA3 GLY 20 1HA GLY 20 6.871 -1.765 -1.311
153 H LYS 21 HN LYS 21 5.177 -2.784 0.460
154 HA LYS 21 HA LYS 21 2.462 -2.147 -0.375
155 HB2 LYS 21 2HB LYS 21 3.743 -4.866 -0.634
156 HB3 LYS 21 1HB LYS 21 2.008 -4.590 -0.735
157 HG2 LYS 21 2HG LYS 21 2.442 -4.463 -2.943
158 HG3 LYS 21 1HG LYS 21 2.862 -2.798 -2.543
159 HD2 LYS 21 2HD LYS 21 5.213 -3.456 -2.301
160 HD3 LYS 21 1HD LYS 21 4.788 -5.114 -2.727
161 HE2 LYS 21 2HE LYS 21 5.716 -3.881 -4.636
162 HE3 LYS 21 1HE LYS 21 4.052 -4.389 -4.921
163 HZ1 LYS 21 3HZ LYS 21 4.878 -1.671 -4.052
164 HZ2 LYS 21 1HZ LYS 21 3.300 -2.169 -4.409
165 HZ3 LYS 21 2HZ LYS 21 4.464 -2.101 -5.635
166 H ASP 22 HN ASP 22 4.449 -2.436 2.168
167 HA ASP 22 HA ASP 22 2.813 -4.013 3.900
168 HB2 ASP 22 2HB ASP 22 5.317 -3.932 4.115
169 HB3 ASP 22 1HB ASP 22 5.124 -2.273 4.615
170 H VAL 23 HN VAL 23 2.308 -1.191 2.642
171 HA VAL 23 HA VAL 23 1.711 0.344 4.986
172 HB VAL 23 HB VAL 23 2.653 1.303 2.891
173 HG11 VAL 23 1HG1 VAL 23 0.774 1.855 1.191
174 HG12 VAL 23 2HG1 VAL 23 -0.016 0.432 1.837
175 HG13 VAL 23 3HG1 VAL 23 1.582 0.301 1.108
176 HG21 VAL 23 3HG2 VAL 23 1.149 2.440 4.718
177 HG22 VAL 23 1HG2 VAL 23 0.034 2.636 3.373
178 HG23 VAL 23 2HG2 VAL 23 1.655 3.327 3.282
179 H GLU 24 HN GLU 24 -0.343 1.156 5.459
180 HA GLU 24 HA GLU 24 -2.499 -0.640 4.590
181 HB2 GLU 24 2HB GLU 24 -3.644 0.169 6.719
182 HB3 GLU 24 1HB GLU 24 -2.282 -0.924 6.908
183 HG2 GLU 24 2HG GLU 24 -0.833 0.963 7.439
184 HG3 GLU 24 1HG GLU 24 -2.188 2.069 7.225
185 H TYR 25 HN TYR 25 -3.396 0.413 2.922
186 HA TYR 25 HA TYR 25 -4.050 3.249 3.202
187 HD1 TYR 25 HD1 TYR 25 -3.843 4.905 0.086
188 HD2 TYR 25 HD2 TYR 25 -1.195 2.157 1.933
189 HE1 TYR 25 HE1 TYR 25 -1.986 6.490 -0.210
190 HE2 TYR 25 HE2 TYR 25 0.668 3.727 1.650
191 HH TYR 25 HH TYR 25 0.187 6.984 0.767
192 HB2 TYR 25 2HB TYR 25 -3.467 1.472 0.894
193 HB3 TYR 25 1HB TYR 25 -4.624 2.774 0.640
194 H LEU 26 HN LEU 26 -6.186 3.944 2.722
195 HA LEU 26 HA LEU 26 -8.225 1.962 3.282
196 HG LEU 26 HG LEU 26 -10.562 3.193 3.104
197 HB2 LEU 26 2HB LEU 26 -8.463 3.961 4.551
198 HB3 LEU 26 1HB LEU 26 -8.191 4.970 3.147
199 HD11 LEU 26 1HD1 LEU 26 -10.895 3.990 5.273
200 HD12 LEU 26 2HD1 LEU 26 -11.843 5.069 4.248
201 HD13 LEU 26 3HD1 LEU 26 -10.279 5.590 4.872
202 HD21 LEU 26 3HD2 LEU 26 -11.501 5.319 2.061
203 HD22 LEU 26 1HD2 LEU 26 -10.274 4.431 1.155
204 HD23 LEU 26 2HD2 LEU 26 -9.833 5.892 2.042
205 H VAL 27 HN VAL 27 -10.144 1.818 1.892
206 HA VAL 27 HA VAL 27 -9.722 2.933 -0.743
207 HB VAL 27 HB VAL 27 -9.290 1.175 -1.861
208 HG11 VAL 27 1HG1 VAL 27 -8.837 -0.108 0.805
209 HG12 VAL 27 2HG1 VAL 27 -7.687 0.851 -0.126
210 HG13 VAL 27 3HG1 VAL 27 -8.217 -0.718 -0.728
211 HG21 VAL 27 3HG2 VAL 27 -11.490 0.251 -1.904
212 HG22 VAL 27 1HG2 VAL 27 -11.285 -0.427 -0.290
213 HG23 VAL 27 2HG2 VAL 27 -10.353 -1.069 -1.641
214 H ARG 28 HN ARG 28 -11.411 4.073 -1.123
215 HA ARG 28 HA ARG 28 -14.057 3.177 -0.353
216 HE ARG 28 HE ARG 28 -12.542 7.700 1.625
217 HB2 ARG 28 2HB ARG 28 -13.416 5.465 -2.183
218 HB3 ARG 28 1HB ARG 28 -14.841 5.263 -1.179
219 HG2 ARG 28 2HG ARG 28 -13.347 5.508 0.825
220 HG3 ARG 28 1HG ARG 28 -12.055 5.965 -0.287
221 HD2 ARG 28 2HD ARG 28 -13.374 7.847 -1.078
222 HD3 ARG 28 1HD ARG 28 -14.715 7.367 -0.041
223 HH11 ARG 28 1HH1 ARG 28 -14.370 9.670 -0.588
224 HH12 ARG 28 2HH1 ARG 28 -14.097 11.138 0.290
225 HH21 ARG 28 2HH2 ARG 28 -12.853 11.112 2.213
226 HH22 ARG 28 1HH2 ARG 28 -12.179 9.625 2.791
227 H TRP 29 HN TRP 29 -13.769 1.230 -1.457
228 HA TRP 29 HA TRP 29 -13.155 0.423 -3.850
229 HD1 TRP 29 HD1 TRP 29 -13.252 -0.979 -5.310
230 HE1 TRP 29 HE1 TRP 29 -13.453 -3.375 -6.228
231 HE3 TRP 29 HE3 TRP 29 -16.678 -2.841 -1.997
232 HZ2 TRP 29 HZ2 TRP 29 -14.875 -5.737 -5.632
233 HZ3 TRP 29 HZ3 TRP 29 -17.405 -5.179 -2.245
234 HH2 TRP 29 HH2 TRP 29 -16.522 -6.596 -4.025
235 HB2 TRP 29 2HB TRP 29 -14.609 -0.666 -1.996
236 HB3 TRP 29 1HB TRP 29 -15.958 -0.195 -3.018
237 H LYS 30 HN LYS 30 -13.092 2.090 -5.316
238 HA LYS 30 HA LYS 30 -14.774 3.813 -6.380
239 HB2 LYS 30 2HB LYS 30 -12.635 3.046 -7.451
240 HB3 LYS 30 1HB LYS 30 -13.542 1.736 -8.192
241 HG2 LYS 30 2HG LYS 30 -14.914 3.317 -9.401
242 HG3 LYS 30 1HG LYS 30 -14.105 4.665 -8.603
243 HD2 LYS 30 2HD LYS 30 -11.990 4.016 -9.643
244 HD3 LYS 30 1HD LYS 30 -12.791 2.652 -10.428
245 HE2 LYS 30 2HE LYS 30 -12.510 4.572 -11.942
246 HE3 LYS 30 1HE LYS 30 -14.206 4.162 -11.683
247 HZ1 LYS 30 3HZ LYS 30 -12.740 6.349 -10.306
248 HZ2 LYS 30 1HZ LYS 30 -14.376 5.969 -10.103
249 HZ3 LYS 30 2HZ LYS 30 -13.823 6.554 -11.590
250 H ASP 31 HN ASP 31 -15.319 0.347 -6.695
251 HA ASP 31 HA ASP 31 -18.004 0.925 -7.767
252 HB2 ASP 31 2HB ASP 31 -16.575 -0.287 -9.383
253 HB3 ASP 31 1HB ASP 31 -16.337 -1.567 -8.196
254 H GLY 32 HN GLY 32 -17.934 1.170 -5.182
255 HA2 GLY 32 2HA GLY 32 -19.158 -1.298 -4.164
256 HA3 GLY 32 1HA GLY 32 -17.851 -0.557 -3.243
257 H GLY 33 HN GLY 33 -18.934 0.044 -1.446
258 HA2 GLY 33 2HA GLY 33 -20.766 2.295 -1.745
259 HA3 GLY 33 1HA GLY 33 -21.396 0.876 -0.922
260 H ASP 34 HN ASP 34 -19.198 0.075 0.546
261 HA ASP 34 HA ASP 34 -19.092 2.206 2.542
262 HB2 ASP 34 2HB ASP 34 -18.273 -0.702 2.733
263 HB3 ASP 34 1HB ASP 34 -18.282 0.446 4.067
264 H CYS 35 HN CYS 35 -16.853 1.792 3.917
265 HA CYS 35 HA CYS 35 -14.595 1.762 2.066
266 HG CYS 35 HG CYS 35 -16.624 5.238 2.225
267 HB2 CYS 35 2HB CYS 35 -15.135 4.065 3.953
268 HB3 CYS 35 1HB CYS 35 -13.716 3.882 2.928
269 H GLU 36 HN GLU 36 -12.954 0.639 2.899
270 HA GLU 36 HA GLU 36 -12.670 0.509 5.822
271 HB2 GLU 36 2HB GLU 36 -12.495 -1.833 3.920
272 HB3 GLU 36 1HB GLU 36 -12.080 -1.891 5.626
273 HG2 GLU 36 2HG GLU 36 -14.364 -1.377 6.231
274 HG3 GLU 36 1HG GLU 36 -14.800 -1.219 4.530
275 H TRP 37 HN TRP 37 -10.456 -0.777 6.252
276 HA TRP 37 HA TRP 37 -8.432 0.757 4.795
277 HD1 TRP 37 HD1 TRP 37 -9.043 2.664 5.836
278 HE1 TRP 37 HE1 TRP 37 -9.853 4.263 7.683
279 HE3 TRP 37 HE3 TRP 37 -8.102 -0.267 9.917
280 HZ2 TRP 37 HZ2 TRP 37 -10.063 4.280 10.499
281 HZ3 TRP 37 HZ3 TRP 37 -8.634 0.614 12.151
282 HH2 TRP 37 HH2 TRP 37 -9.595 2.842 12.436
283 HB2 TRP 37 2HB TRP 37 -8.243 -0.727 7.423
284 HB3 TRP 37 1HB TRP 37 -6.978 0.265 6.713
285 H VAL 38 HN VAL 38 -6.522 -0.180 4.038
286 HA VAL 38 HA VAL 38 -6.789 -2.960 3.213
287 HB VAL 38 HB VAL 38 -4.781 -0.828 2.474
288 HG11 VAL 38 1HG1 VAL 38 -3.630 -2.936 2.382
289 HG12 VAL 38 2HG1 VAL 38 -4.003 -2.423 0.741
290 HG13 VAL 38 3HG1 VAL 38 -4.972 -3.677 1.509
291 HG21 VAL 38 3HG2 VAL 38 -5.887 -0.691 0.405
292 HG22 VAL 38 1HG2 VAL 38 -7.163 -0.707 1.621
293 HG23 VAL 38 2HG2 VAL 38 -6.798 -2.170 0.707
294 H LYS 39 HN LYS 39 -4.861 -4.401 3.382
295 HA LYS 39 HA LYS 39 -3.949 -4.366 6.083
296 HB2 LYS 39 2HB LYS 39 -4.627 -6.455 4.961
297 HB3 LYS 39 1HB LYS 39 -3.262 -6.290 3.867
298 HG2 LYS 39 2HG LYS 39 -1.715 -6.523 5.723
299 HG3 LYS 39 1HG LYS 39 -3.068 -6.627 6.853
300 HD2 LYS 39 2HD LYS 39 -3.844 -8.660 5.700
301 HD3 LYS 39 1HD LYS 39 -2.449 -8.565 4.623
302 HE2 LYS 39 2HE LYS 39 -0.952 -8.795 6.542
303 HE3 LYS 39 1HE LYS 39 -2.343 -8.878 7.622
304 HZ1 LYS 39 3HZ LYS 39 -1.693 -10.826 5.475
305 HZ2 LYS 39 1HZ LYS 39 -3.043 -10.903 6.491
306 HZ3 LYS 39 2HZ LYS 39 -1.489 -11.076 7.135
307 H GLY 40 HN GLY 40 -2.467 -2.979 6.633
308 HA2 GLY 40 2HA GLY 40 -0.176 -2.516 4.911
309 HA3 GLY 40 1HA GLY 40 -0.562 -1.628 6.378
310 H VAL 41 HN VAL 41 -0.215 -5.090 5.803
311 HA VAL 41 HA VAL 41 2.028 -5.121 7.716
312 HB VAL 41 HB VAL 41 0.422 -7.577 7.181
313 HG11 VAL 41 1HG1 VAL 41 2.455 -7.758 8.480
314 HG12 VAL 41 2HG1 VAL 41 1.053 -8.089 9.497
315 HG13 VAL 41 3HG1 VAL 41 1.873 -6.531 9.605
316 HG21 VAL 41 3HG2 VAL 41 -1.119 -7.040 9.015
317 HG22 VAL 41 1HG2 VAL 41 -1.286 -5.904 7.676
318 HG23 VAL 41 2HG2 VAL 41 -0.412 -5.428 9.131
319 H HIS 42 HN HIS 42 1.328 -5.310 4.517
320 HA HIS 42 HA HIS 42 2.802 -7.633 3.794
321 HD1 HIS 42 HD1 HIS 42 -0.555 -7.433 1.996
322 HD2 HIS 42 HD2 HIS 42 3.248 -8.650 0.849
323 HE1 HIS 42 HE1 HIS 42 -0.880 -9.628 0.815
324 HE2 HIS 42 HE2 HIS 42 1.427 -10.314 0.072
325 HB2 HIS 42 2HB HIS 42 1.148 -5.716 2.490
326 HB3 HIS 42 1HB HIS 42 2.672 -5.845 1.606
327 H VAL 43 HN VAL 43 4.531 -7.293 5.114
328 HA VAL 43 HA VAL 43 6.361 -5.228 5.002
329 HB VAL 43 HB VAL 43 6.958 -8.125 5.552
330 HG11 VAL 43 1HG1 VAL 43 8.427 -5.636 6.416
331 HG12 VAL 43 2HG1 VAL 43 8.964 -6.763 5.172
332 HG13 VAL 43 3HG1 VAL 43 8.840 -7.295 6.849
333 HG21 VAL 43 3HG2 VAL 43 6.062 -5.912 7.395
334 HG22 VAL 43 1HG2 VAL 43 6.627 -7.497 7.921
335 HG23 VAL 43 2HG2 VAL 43 5.155 -7.361 6.961
336 H ALA 44 HN ALA 44 6.360 -4.758 2.715
337 HA ALA 44 HA ALA 44 8.073 -6.460 1.099
338 HB1 ALA 44 3HB ALA 44 7.257 -5.361 -0.731
339 HB2 ALA 44 1HB ALA 44 7.126 -3.820 0.115
340 HB3 ALA 44 2HB ALA 44 5.917 -5.076 0.373
341 H GLU 45 HN GLU 45 9.431 -5.682 3.199
342 HA GLU 45 HA GLU 45 10.670 -3.242 3.345
343 HB2 GLU 45 2HB GLU 45 12.467 -4.319 4.528
344 HB3 GLU 45 1HB GLU 45 10.969 -5.131 4.958
345 HG2 GLU 45 2HG GLU 45 12.958 -6.122 2.928
346 HG3 GLU 45 1HG GLU 45 12.827 -6.691 4.592
347 H ASP 46 HN ASP 46 11.121 -5.768 1.043
348 HA ASP 46 HA ASP 46 13.590 -4.705 -0.036
349 HB2 ASP 46 2HB ASP 46 12.950 -7.117 -0.186
350 HB3 ASP 46 1HB ASP 46 11.652 -6.662 -1.284
351 H VAL 47 HN VAL 47 10.168 -4.678 -0.918
352 HA VAL 47 HA VAL 47 10.495 -3.198 -3.299
353 HB VAL 47 HB VAL 47 8.107 -3.243 -1.459
354 HG11 VAL 47 1HG1 VAL 47 8.334 -2.594 -4.400
355 HG12 VAL 47 2HG1 VAL 47 8.022 -1.444 -3.099
356 HG13 VAL 47 3HG1 VAL 47 6.829 -2.687 -3.484
357 HG21 VAL 47 3HG2 VAL 47 8.817 -5.507 -2.120
358 HG22 VAL 47 1HG2 VAL 47 8.731 -5.030 -3.816
359 HG23 VAL 47 2HG2 VAL 47 7.265 -5.071 -2.836
360 H ALA 48 HN ALA 48 10.364 -2.338 0.035
361 HA ALA 48 HA ALA 48 10.059 0.524 -0.431
362 HB1 ALA 48 3HB ALA 48 8.749 -0.428 1.350
363 HB2 ALA 48 1HB ALA 48 9.957 0.665 2.024
364 HB3 ALA 48 2HB ALA 48 10.197 -1.080 2.116
365 H LYS 49 HN LYS 49 12.342 -1.590 1.380
366 HA LYS 49 HA LYS 49 14.202 0.369 2.031
367 HB2 LYS 49 2HB LYS 49 14.296 -1.896 2.952
368 HB3 LYS 49 1HB LYS 49 14.735 -2.534 1.375
369 HG2 LYS 49 2HG LYS 49 16.826 -1.281 1.439
370 HG3 LYS 49 1HG LYS 49 16.383 -0.619 3.013
371 HD2 LYS 49 2HD LYS 49 17.921 -2.487 3.275
372 HD3 LYS 49 1HD LYS 49 16.339 -2.889 3.945
373 HE2 LYS 49 2HE LYS 49 15.785 -4.135 1.927
374 HE3 LYS 49 1HE LYS 49 17.340 -3.702 1.218
375 HZ1 LYS 49 3HZ LYS 49 16.956 -5.331 3.672
376 HZ2 LYS 49 1HZ LYS 49 18.446 -4.921 2.983
377 HZ3 LYS 49 2HZ LYS 49 17.377 -5.930 2.148
378 H ASP 50 HN ASP 50 14.007 -1.624 -0.864
379 HA ASP 50 HA ASP 50 16.299 -0.357 -2.061
380 HB2 ASP 50 2HB ASP 50 16.025 -2.621 -2.679
381 HB3 ASP 50 1HB ASP 50 14.310 -2.419 -2.995
382 H TYR 51 HN TYR 51 12.921 0.152 -1.834
383 HA TYR 51 HA TYR 51 12.372 1.604 -4.117
384 HD1 TYR 51 HD1 TYR 51 11.039 2.658 -4.952
385 HD2 TYR 51 HD2 TYR 51 8.535 0.972 -1.948
386 HE1 TYR 51 HE1 TYR 51 9.114 2.815 -6.466
387 HE2 TYR 51 HE2 TYR 51 6.614 1.134 -3.457
388 HH TYR 51 HH TYR 51 5.915 2.448 -5.423
389 HB2 TYR 51 2HB TYR 51 11.061 0.744 -1.917
390 HB3 TYR 51 1HB TYR 51 11.035 2.449 -1.647
391 H GLU 52 HN GLU 52 12.763 2.778 -0.821
392 HA GLU 52 HA GLU 52 13.332 5.426 -1.778
393 HB2 GLU 52 2HB GLU 52 13.090 6.155 0.492
394 HB3 GLU 52 1HB GLU 52 11.789 5.032 0.126
395 HG2 GLU 52 2HG GLU 52 13.038 3.247 1.265
396 HG3 GLU 52 1HG GLU 52 14.296 4.412 1.672
397 H ASP 53 HN ASP 53 14.911 2.997 0.243
398 HA ASP 53 HA ASP 53 17.337 4.504 0.490
399 HB2 ASP 53 2HB ASP 53 16.161 2.175 1.670
400 HB3 ASP 53 1HB ASP 53 17.800 1.791 1.144
401 H GLY 54 HN GLY 54 16.305 1.675 -1.391
402 HA2 GLY 54 2HA GLY 54 18.706 0.897 -2.499
403 HA3 GLY 54 1HA GLY 54 17.167 0.793 -3.337
404 H LEU 55 HN LEU 55 16.471 3.324 -3.843
405 HA LEU 55 HA LEU 55 18.218 4.038 -5.968
406 HG LEU 55 HG LEU 55 17.214 7.055 -6.150
407 HB2 LEU 55 2HB LEU 55 15.805 4.382 -6.105
408 HB3 LEU 55 1HB LEU 55 15.876 5.525 -4.777
409 HD11 LEU 55 1HD1 LEU 55 17.559 6.615 -8.520
410 HD12 LEU 55 2HD1 LEU 55 16.822 5.022 -8.342
411 HD13 LEU 55 3HD1 LEU 55 18.345 5.384 -7.529
412 HD21 LEU 55 3HD2 LEU 55 15.467 7.686 -7.741
413 HD22 LEU 55 1HD2 LEU 55 14.788 7.273 -6.167
414 HD23 LEU 55 2HD2 LEU 55 14.683 6.125 -7.501
415 H GLU 56 HN GLU 56 17.109 6.100 -3.280
416 HA GLU 56 HA GLU 56 19.463 7.746 -3.529
417 HB2 GLU 56 2HB GLU 56 17.226 7.874 -1.520
418 HB3 GLU 56 1HB GLU 56 18.451 9.107 -1.770
419 HG2 GLU 56 2HG GLU 56 17.619 9.460 -4.044
420 HG3 GLU 56 1HG GLU 56 16.378 8.239 -3.773
421 H TYR 57 HN TYR 57 20.708 5.629 -3.032
422 HA TYR 57 HA TYR 57 20.891 4.995 -0.211
423 HD1 TYR 57 HD1 TYR 57 21.216 2.347 0.507
424 HD2 TYR 57 HD2 TYR 57 24.641 3.577 -1.697
425 HE1 TYR 57 HE1 TYR 57 22.656 1.105 2.064
426 HE2 TYR 57 HE2 TYR 57 26.092 2.337 -0.146
427 HH TYR 57 HH TYR 57 26.045 1.481 2.130
428 HB2 TYR 57 2HB TYR 57 21.077 3.200 -1.875
429 HB3 TYR 57 1HB TYR 57 22.492 3.981 -2.571
430 HA ALA 1 HA ALA 1 -16.194 -10.143 -0.878
431 H1 ALA 1 1H ALA 1 -15.800 -11.662 1.631
432 H2 ALA 1 2H ALA 1 -15.046 -11.991 0.153
433 H3 ALA 1 3H ALA 1 -16.723 -12.156 0.301
434 HB1 ALA 1 3HB ALA 1 -17.246 -9.650 1.903
435 HB2 ALA 1 1HB ALA 1 -18.190 -10.183 0.511
436 HB3 ALA 1 2HB ALA 1 -17.458 -8.578 0.519
437 HA PRO 2 HA PRO 2 -12.273 -8.390 0.427
438 HB2 PRO 2 1HB PRO 2 -11.768 -8.144 -1.799
439 HB3 PRO 2 2HB PRO 2 -12.124 -6.446 -1.461
440 HG2 PRO 2 2HG PRO 2 -14.274 -6.592 -2.324
441 HG3 PRO 2 1HG PRO 2 -13.438 -7.754 -3.371
442 HD2 PRO 2 2HD PRO 2 -15.627 -8.416 -1.927
443 HD3 PRO 2 1HD PRO 2 -14.328 -9.577 -2.274
444 HA PRO 3 HA PRO 3 -14.296 -5.083 2.801
445 HB2 PRO 3 1HB PRO 3 -13.828 -6.319 4.691
446 HB3 PRO 3 2HB PRO 3 -12.567 -5.093 4.867
447 HG2 PRO 3 2HG PRO 3 -10.917 -6.485 4.019
448 HG3 PRO 3 1HG PRO 3 -11.955 -7.688 4.806
449 HD2 PRO 3 2HD PRO 3 -11.280 -7.775 2.161
450 HD3 PRO 3 1HD PRO 3 -12.782 -8.457 2.813
451 H GLY 4 HN GLY 4 -13.761 -3.462 1.257
452 HA2 GLY 4 2HA GLY 4 -12.602 -1.667 0.401
453 HA3 GLY 4 1HA GLY 4 -12.150 -1.403 2.077
454 H THR 5 HN THR 5 -11.216 -2.992 -0.913
455 HA THR 5 HA THR 5 -8.426 -2.569 -0.271
456 HB THR 5 HB THR 5 -8.743 -4.751 0.723
457 HG1 THR 5 HG1 THR 5 -8.407 -4.680 1.914
458 1HG2 THR 5 1HG2 THR 5 -8.999 -6.895 1.858
459 2HG2 THR 5 2HG2 THR 5 -8.749 -7.749 0.336
460 3HG2 THR 5 3HG2 THR 5 -9.858 -6.379 0.405
461 H ALA 6 HN ALA 6 -6.993 -2.974 -2.084
462 HA ALA 6 HA ALA 6 -8.238 -3.321 -4.697
463 HB1 ALA 6 3HB ALA 6 -8.211 -0.839 -4.020
464 HB2 ALA 6 1HB ALA 6 -7.579 -1.276 -5.607
465 HB3 ALA 6 2HB ALA 6 -6.471 -0.936 -4.282
466 H ARG 7 HN ARG 7 -5.246 -2.589 -2.944
467 HA ARG 7 HA ARG 7 -3.168 -3.511 -3.023
468 HE ARG 7 HE ARG 7 -5.374 -7.332 -4.671
469 HB2 ARG 7 2HB ARG 7 -4.422 -5.600 -4.811
470 HB3 ARG 7 1HB ARG 7 -2.873 -5.726 -3.987
471 HG2 ARG 7 2HG ARG 7 -4.063 -5.582 -1.821
472 HG3 ARG 7 1HG ARG 7 -5.592 -5.597 -2.704
473 HD2 ARG 7 2HD ARG 7 -3.494 -7.764 -2.678
474 HD3 ARG 7 1HD ARG 7 -5.080 -7.823 -1.911
475 HH11 ARG 7 1HH1 ARG 7 -4.499 -9.862 -2.444
476 HH12 ARG 7 2HH1 ARG 7 -5.021 -11.140 -3.489
477 HH21 ARG 7 2HH2 ARG 7 -5.911 -10.653 -5.544
478 HH22 ARG 7 1HH2 ARG 7 -6.064 -9.006 -6.056
479 H ARG 8 HN ARG 8 -1.627 -2.440 -4.063
480 HA ARG 8 HA ARG 8 -1.931 -1.512 -6.729
481 HE ARG 8 HE ARG 8 0.446 1.163 -7.287
482 HB2 ARG 8 2HB ARG 8 0.391 -1.536 -4.811
483 HB3 ARG 8 1HB ARG 8 0.545 -0.909 -6.446
484 HG2 ARG 8 2HG ARG 8 -1.378 0.100 -4.359
485 HG3 ARG 8 1HG ARG 8 0.141 0.868 -4.824
486 HD2 ARG 8 2HD ARG 8 -2.236 0.399 -6.621
487 HD3 ARG 8 1HD ARG 8 -1.758 1.941 -5.914
488 HH11 ARG 8 1HH1 ARG 8 -2.913 1.513 -8.135
489 HH12 ARG 8 2HH1 ARG 8 -2.588 1.933 -9.784
490 HH21 ARG 8 2HH2 ARG 8 -0.430 2.050 -10.534
491 HH22 ARG 8 1HH2 ARG 8 0.885 1.717 -9.458
492 H LYS 9 HN LYS 9 -0.034 -4.145 -5.278
493 HA LYS 9 HA LYS 9 0.058 -5.432 -7.881
494 HB2 LYS 9 2HB LYS 9 2.566 -4.963 -6.257
495 HB3 LYS 9 1HB LYS 9 2.459 -5.833 -7.781
496 HG2 LYS 9 2HG LYS 9 1.770 -3.762 -8.902
497 HG3 LYS 9 1HG LYS 9 1.931 -2.897 -7.371
498 HD2 LYS 9 2HD LYS 9 3.913 -2.583 -8.755
499 HD3 LYS 9 1HD LYS 9 4.308 -3.488 -7.292
500 HE2 LYS 9 2HE LYS 9 4.245 -5.572 -8.547
501 HE3 LYS 9 1HE LYS 9 3.789 -4.696 -10.008
502 HZ1 LYS 9 3HZ LYS 9 5.908 -3.533 -9.925
503 HZ2 LYS 9 1HZ LYS 9 6.148 -5.207 -9.982
504 HZ3 LYS 9 2HZ LYS 9 6.344 -4.375 -8.523
505 H ARG 10 HN ARG 10 1.703 -7.546 -7.288
506 HA ARG 10 HA ARG 10 0.091 -9.301 -5.888
507 HE ARG 10 HE ARG 10 3.693 -11.454 -4.901
508 HB2 ARG 10 2HB ARG 10 2.059 -10.777 -5.807
509 HB3 ARG 10 1HB ARG 10 1.875 -10.027 -7.389
510 HG2 ARG 10 2HG ARG 10 3.652 -8.540 -7.012
511 HG3 ARG 10 1HG ARG 10 3.681 -8.886 -5.280
512 HD2 ARG 10 2HD ARG 10 4.469 -10.734 -7.532
513 HD3 ARG 10 1HD ARG 10 5.538 -10.000 -6.337
514 HH11 ARG 10 1HH1 ARG 10 6.068 -12.110 -7.360
515 HH12 ARG 10 2HH1 ARG 10 6.375 -13.727 -6.817
516 HH21 ARG 10 2HH2 ARG 10 5.246 -14.564 -5.008
517 HH22 ARG 10 1HH2 ARG 10 4.086 -13.583 -4.178
518 H LYS 11 HN LYS 11 2.389 -7.000 -4.717
519 HA LYS 11 HA LYS 11 2.925 -6.284 -2.641
520 HB2 LYS 11 2HB LYS 11 0.737 -8.158 -1.732
521 HB3 LYS 11 1HB LYS 11 1.566 -7.005 -0.703
522 HG2 LYS 11 2HG LYS 11 0.759 -5.224 -2.337
523 HG3 LYS 11 1HG LYS 11 -0.332 -6.469 -2.950
524 HD2 LYS 11 2HD LYS 11 -1.298 -6.749 -0.744
525 HD3 LYS 11 1HD LYS 11 -0.159 -5.580 -0.074
526 HE2 LYS 11 2HE LYS 11 -1.119 -3.824 -1.449
527 HE3 LYS 11 1HE LYS 11 -2.216 -4.985 -2.192
528 HZ1 LYS 11 3HZ LYS 11 -3.371 -3.777 -0.498
529 HZ2 LYS 11 1HZ LYS 11 -2.191 -4.149 0.655
530 HZ3 LYS 11 2HZ LYS 11 -3.177 -5.372 0.028
531 H ALA 12 HN ALA 12 4.976 -7.081 -2.655
532 HA ALA 12 HA ALA 12 5.520 -9.817 -1.911
533 HB1 ALA 12 3HB ALA 12 6.859 -8.422 -3.576
534 HB2 ALA 12 1HB ALA 12 7.774 -9.362 -2.397
535 HB3 ALA 12 2HB ALA 12 7.563 -7.626 -2.165
536 H ASP 13 HN ASP 13 5.686 -10.500 0.146
537 HA ASP 13 HA ASP 13 6.540 -8.545 2.168
538 HB2 ASP 13 2HB ASP 13 5.035 -9.729 3.789
539 HB3 ASP 13 1HB ASP 13 4.194 -8.844 2.520
540 H SER 14 HN SER 14 8.473 -9.925 1.075
541 HA SER 14 HA SER 14 9.699 -11.272 3.169
542 HG SER 14 HG SER 14 9.989 -13.992 3.318
543 HB2 SER 14 2HB SER 14 8.103 -13.074 2.805
544 HB3 SER 14 1HB SER 14 8.520 -13.133 1.092
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 9.276 4.022 -7.578
2 H2 GLY 1 2H GLY 1 9.339 5.698 -7.359
3 H3 GLY 1 3H GLY 1 9.073 4.681 -6.034
4 HA2 GLY 1 1HA GLY 1 11.295 3.708 -6.338
5 HA3 GLY 1 2HA GLY 1 11.556 4.843 -7.652
6 H SER 2 HN SER 2 10.001 5.413 -4.489
7 HA SER 2 HA SER 2 12.180 6.614 -3.231
8 HG SER 2 HG SER 2 9.632 9.208 -4.260
9 HB2 SER 2 2HB SER 2 11.620 9.012 -3.491
10 HB3 SER 2 1HB SER 2 12.149 8.259 -4.995
11 H GLN 3 HN GLN 3 8.689 6.489 -3.634
12 HA GLN 3 HA GLN 3 8.218 7.474 -0.960
13 HB2 GLN 3 2HB GLN 3 5.924 7.397 -1.512
14 HB3 GLN 3 1HB GLN 3 6.741 7.861 -2.998
15 HG2 GLN 3 2HG GLN 3 6.518 5.663 -3.899
16 HG3 GLN 3 1HG GLN 3 5.894 5.048 -2.370
17 HE21 GLN 3 2HE2 GLN 3 3.346 7.707 -4.101
18 HE22 GLN 3 1HE2 GLN 3 4.980 8.136 -3.747
19 H VAL 4 HN VAL 4 7.938 6.252 0.817
20 HA VAL 4 HA VAL 4 8.354 3.391 0.544
21 HB VAL 4 HB VAL 4 9.716 4.597 2.170
22 HG11 VAL 4 1HG1 VAL 4 7.898 6.277 2.738
23 HG12 VAL 4 2HG1 VAL 4 8.874 5.683 4.077
24 HG13 VAL 4 3HG1 VAL 4 7.250 5.053 3.828
25 HG21 VAL 4 3HG2 VAL 4 9.355 3.118 4.090
26 HG22 VAL 4 1HG2 VAL 4 9.246 2.248 2.560
27 HG23 VAL 4 2HG2 VAL 4 7.780 2.672 3.440
28 H PHE 5 HN PHE 5 6.100 3.391 -0.470
29 HA PHE 5 HA PHE 5 4.358 1.904 0.996
30 HD1 PHE 5 HD1 PHE 5 5.032 5.619 2.959
31 HD2 PHE 5 HD2 PHE 5 2.507 5.270 -0.450
32 HE1 PHE 5 HE1 PHE 5 5.329 8.016 2.499
33 HE2 PHE 5 HE2 PHE 5 2.800 7.668 -0.916
34 HZ PHE 5 HZ PHE 5 4.212 9.044 0.559
35 HB2 PHE 5 2HB PHE 5 2.517 3.595 1.497
36 HB3 PHE 5 1HB PHE 5 3.905 3.624 2.574
37 H GLU 6 HN GLU 6 2.173 1.735 0.029
38 HA GLU 6 HA GLU 6 1.878 2.956 -2.614
39 HB2 GLU 6 2HB GLU 6 3.024 0.828 -3.029
40 HB3 GLU 6 1HB GLU 6 1.779 -0.033 -2.129
41 HG2 GLU 6 2HG GLU 6 1.439 -0.273 -4.512
42 HG3 GLU 6 1HG GLU 6 0.118 0.645 -3.790
43 H TYR 7 HN TYR 7 -0.275 3.150 -3.297
44 HA TYR 7 HA TYR 7 -2.207 2.827 -1.181
45 HD1 TYR 7 HD1 TYR 7 -4.143 3.448 -4.943
46 HD2 TYR 7 HD2 TYR 7 -0.431 5.276 -3.952
47 HE1 TYR 7 HE1 TYR 7 -3.674 3.780 -7.334
48 HE2 TYR 7 HE2 TYR 7 0.048 5.612 -6.340
49 HH TYR 7 HH TYR 7 -0.621 4.625 -8.511
50 HB2 TYR 7 2HB TYR 7 -3.678 4.158 -2.679
51 HB3 TYR 7 1HB TYR 7 -2.175 4.967 -2.272
52 H ALA 8 HN ALA 8 -3.044 0.871 -0.989
53 HA ALA 8 HA ALA 8 -3.699 -0.672 -3.378
54 HB1 ALA 8 3HB ALA 8 -2.798 -1.445 -0.919
55 HB2 ALA 8 1HB ALA 8 -3.609 -2.504 -2.072
56 HB3 ALA 8 2HB ALA 8 -4.530 -1.742 -0.777
57 H GLU 9 HN GLU 9 -5.157 1.461 -3.580
58 HA GLU 9 HA GLU 9 -7.780 0.851 -2.452
59 HB2 GLU 9 2HB GLU 9 -7.650 2.930 -1.660
60 HB3 GLU 9 1HB GLU 9 -6.188 3.234 -2.572
61 HG2 GLU 9 2HG GLU 9 -8.961 3.530 -3.665
62 HG3 GLU 9 1HG GLU 9 -8.012 4.840 -2.995
63 H VAL 10 HN VAL 10 -9.598 1.521 -3.645
64 HA VAL 10 HA VAL 10 -9.314 0.690 -6.381
65 HB VAL 10 HB VAL 10 -11.738 0.906 -4.676
66 HG11 VAL 10 1HG1 VAL 10 -11.751 0.973 -7.370
67 HG12 VAL 10 2HG1 VAL 10 -13.033 0.226 -6.417
68 HG13 VAL 10 3HG1 VAL 10 -11.751 -0.769 -7.103
69 HG21 VAL 10 3HG2 VAL 10 -10.858 -0.918 -3.730
70 HG22 VAL 10 1HG2 VAL 10 -9.726 -1.171 -5.059
71 HG23 VAL 10 2HG2 VAL 10 -11.388 -1.737 -5.201
72 H ASP 11 HN ASP 11 -10.592 3.310 -4.448
73 HA ASP 11 HA ASP 11 -10.351 5.043 -6.788
74 HB2 ASP 11 2HB ASP 11 -12.672 4.563 -6.822
75 HB3 ASP 11 1HB ASP 11 -12.829 4.763 -5.089
76 H GLU 12 HN GLU 12 -10.437 4.751 -3.258
77 HA GLU 12 HA GLU 12 -8.880 7.169 -3.044
78 HB2 GLU 12 2HB GLU 12 -11.687 7.106 -1.944
79 HB3 GLU 12 1HB GLU 12 -10.473 8.272 -1.443
80 HG2 GLU 12 2HG GLU 12 -10.317 9.106 -3.726
81 HG3 GLU 12 1HG GLU 12 -11.513 7.922 -4.242
82 H ILE 13 HN ILE 13 -7.906 7.511 -1.020
83 HA ILE 13 HA ILE 13 -8.245 5.310 0.912
84 HB ILE 13 HB ILE 13 -5.885 5.127 1.276
85 HG12 ILE 13 2HG1 ILE 13 -5.421 7.603 1.135
86 HG13 ILE 13 1HG1 ILE 13 -4.231 6.612 0.301
87 HG21 ILE 13 1HG2 ILE 13 -5.220 5.194 -1.404
88 HG22 ILE 13 2HG2 ILE 13 -6.963 4.952 -1.403
89 HG23 ILE 13 3HG2 ILE 13 -5.920 3.835 -0.528
90 HD11 ILE 13 3HD1 ILE 13 -5.786 7.079 -1.766
91 HD12 ILE 13 1HD1 ILE 13 -4.568 8.245 -1.246
92 HD13 ILE 13 2HD1 ILE 13 -6.255 8.476 -0.798
93 H VAL 14 HN VAL 14 -6.643 6.116 2.920
94 HA VAL 14 HA VAL 14 -7.184 8.906 3.544
95 HB VAL 14 HB VAL 14 -8.225 6.649 5.269
96 HG11 VAL 14 1HG1 VAL 14 -7.244 8.408 6.647
97 HG12 VAL 14 2HG1 VAL 14 -9.000 8.403 6.796
98 HG13 VAL 14 3HG1 VAL 14 -8.205 9.621 5.800
99 HG21 VAL 14 3HG2 VAL 14 -10.409 7.649 4.886
100 HG22 VAL 14 1HG2 VAL 14 -9.653 7.210 3.355
101 HG23 VAL 14 2HG2 VAL 14 -9.679 8.895 3.874
102 H GLU 15 HN GLU 15 -5.966 5.815 4.775
103 HA GLU 15 HA GLU 15 -3.842 7.228 6.218
104 HB2 GLU 15 2HB GLU 15 -4.635 4.305 6.248
105 HB3 GLU 15 1HB GLU 15 -3.370 5.023 7.238
106 HG2 GLU 15 2HG GLU 15 -5.016 6.415 8.361
107 HG3 GLU 15 1HG GLU 15 -6.291 5.740 7.347
108 H LYS 16 HN LYS 16 -1.669 6.954 5.719
109 HA LYS 16 HA LYS 16 -0.936 5.080 3.623
110 HB2 LYS 16 2HB LYS 16 0.216 6.962 2.343
111 HB3 LYS 16 1HB LYS 16 -1.534 6.865 2.208
112 HG2 LYS 16 2HG LYS 16 -1.823 8.696 3.705
113 HG3 LYS 16 1HG LYS 16 -0.107 8.700 4.118
114 HD2 LYS 16 2HD LYS 16 -1.201 9.242 1.359
115 HD3 LYS 16 1HD LYS 16 -0.761 10.493 2.522
116 HE2 LYS 16 2HE LYS 16 1.537 9.650 2.555
117 HE3 LYS 16 1HE LYS 16 1.097 8.405 1.387
118 HZ1 LYS 16 3HZ LYS 16 1.002 11.336 0.920
119 HZ2 LYS 16 1HZ LYS 16 0.550 10.151 -0.201
120 HZ3 LYS 16 2HZ LYS 16 2.159 10.269 0.302
121 H ARG 17 HN ARG 17 0.409 4.168 5.327
122 HA ARG 17 HA ARG 17 2.979 5.486 5.549
123 HE ARG 17 HE ARG 17 2.690 3.933 10.147
124 HB2 ARG 17 2HB ARG 17 1.666 6.414 7.436
125 HB3 ARG 17 1HB ARG 17 1.412 4.781 8.032
126 HG2 ARG 17 2HG ARG 17 3.860 4.537 8.279
127 HG3 ARG 17 1HG ARG 17 4.039 6.229 7.800
128 HD2 ARG 17 2HD ARG 17 4.033 6.358 10.111
129 HD3 ARG 17 1HD ARG 17 2.352 6.694 9.692
130 HH11 ARG 17 1HH1 ARG 17 2.584 6.972 11.840
131 HH12 ARG 17 2HH1 ARG 17 2.004 6.280 13.318
132 HH21 ARG 17 2HH2 ARG 17 1.626 4.023 13.457
133 HH22 ARG 17 1HH2 ARG 17 1.923 3.007 12.087
134 H GLY 18 HN GLY 18 3.990 3.704 4.559
135 HA2 GLY 18 2HA GLY 18 4.115 1.346 6.268
136 HA3 GLY 18 1HA GLY 18 3.480 1.104 4.659
137 H LYS 19 HN LYS 19 4.868 0.055 3.551
138 HA LYS 19 HA LYS 19 7.724 0.748 3.651
139 HB2 LYS 19 2HB LYS 19 6.233 -1.817 3.358
140 HB3 LYS 19 1HB LYS 19 7.891 -1.688 2.771
141 HG2 LYS 19 2HG LYS 19 8.620 -1.050 5.032
142 HG3 LYS 19 1HG LYS 19 6.958 -1.245 5.599
143 HD2 LYS 19 2HD LYS 19 7.111 -3.601 4.634
144 HD3 LYS 19 1HD LYS 19 8.852 -3.333 4.581
145 HE2 LYS 19 2HE LYS 19 7.106 -3.158 7.034
146 HE3 LYS 19 1HE LYS 19 8.186 -4.491 6.631
147 HZ1 LYS 19 3HZ LYS 19 9.220 -3.016 8.216
148 HZ2 LYS 19 1HZ LYS 19 9.001 -1.690 7.188
149 HZ3 LYS 19 2HZ LYS 19 10.054 -2.939 6.747
150 H GLY 20 HN GLY 20 5.735 -1.131 1.573
151 HA2 GLY 20 2HA GLY 20 5.969 0.619 -0.706
152 HA3 GLY 20 1HA GLY 20 6.694 -0.985 -0.851
153 H LYS 21 HN LYS 21 5.185 -2.531 0.525
154 HA LYS 21 HA LYS 21 2.425 -2.253 -0.435
155 HB2 LYS 21 2HB LYS 21 4.295 -4.583 -0.632
156 HB3 LYS 21 1HB LYS 21 2.576 -4.889 -0.430
157 HG2 LYS 21 2HG LYS 21 2.908 -4.940 -2.733
158 HG3 LYS 21 1HG LYS 21 2.239 -3.338 -2.425
159 HD2 LYS 21 2HD LYS 21 4.857 -2.779 -2.213
160 HD3 LYS 21 1HD LYS 21 4.937 -4.133 -3.338
161 HE2 LYS 21 2HE LYS 21 3.339 -3.005 -4.808
162 HE3 LYS 21 1HE LYS 21 3.265 -1.646 -3.688
163 HZ1 LYS 21 3HZ LYS 21 5.604 -1.232 -4.080
164 HZ2 LYS 21 1HZ LYS 21 4.754 -1.209 -5.542
165 HZ3 LYS 21 2HZ LYS 21 5.696 -2.552 -5.132
166 H ASP 22 HN ASP 22 4.455 -2.495 2.234
167 HA ASP 22 HA ASP 22 2.717 -3.983 3.927
168 HB2 ASP 22 2HB ASP 22 5.266 -3.943 4.126
169 HB3 ASP 22 1HB ASP 22 5.074 -2.331 4.781
170 H VAL 23 HN VAL 23 2.333 -1.138 2.680
171 HA VAL 23 HA VAL 23 1.736 0.376 5.039
172 HB VAL 23 HB VAL 23 2.661 1.334 2.910
173 HG11 VAL 23 1HG1 VAL 23 0.814 2.049 1.287
174 HG12 VAL 23 2HG1 VAL 23 -0.152 0.763 1.992
175 HG13 VAL 23 3HG1 VAL 23 1.371 0.383 1.191
176 HG21 VAL 23 3HG2 VAL 23 1.978 3.308 3.671
177 HG22 VAL 23 1HG2 VAL 23 1.035 2.391 4.843
178 HG23 VAL 23 2HG2 VAL 23 0.284 2.939 3.352
179 H GLU 24 HN GLU 24 -0.320 1.188 5.537
180 HA GLU 24 HA GLU 24 -2.470 -0.613 4.681
181 HB2 GLU 24 2HB GLU 24 -3.545 0.443 6.869
182 HB3 GLU 24 1HB GLU 24 -2.474 -0.947 6.926
183 HG2 GLU 24 2HG GLU 24 -1.950 0.693 8.660
184 HG3 GLU 24 1HG GLU 24 -0.610 0.459 7.541
185 H TYR 25 HN TYR 25 -3.282 0.486 2.945
186 HA TYR 25 HA TYR 25 -4.001 3.303 3.258
187 HD1 TYR 25 HD1 TYR 25 -3.791 4.806 -0.124
188 HD2 TYR 25 HD2 TYR 25 -1.177 2.403 2.197
189 HE1 TYR 25 HE1 TYR 25 -1.979 6.402 -0.549
190 HE2 TYR 25 HE2 TYR 25 0.651 3.996 1.778
191 HH TYR 25 HH TYR 25 0.125 7.076 0.360
192 HB2 TYR 25 2HB TYR 25 -3.412 1.540 0.940
193 HB3 TYR 25 1HB TYR 25 -4.589 2.822 0.693
194 H LEU 26 HN LEU 26 -6.160 3.987 2.754
195 HA LEU 26 HA LEU 26 -8.167 1.969 3.317
196 HG LEU 26 HG LEU 26 -10.544 3.165 3.127
197 HB2 LEU 26 2HB LEU 26 -8.476 3.944 4.598
198 HB3 LEU 26 1HB LEU 26 -8.191 4.980 3.215
199 HD11 LEU 26 1HD1 LEU 26 -10.811 4.032 5.324
200 HD12 LEU 26 2HD1 LEU 26 -11.904 4.913 4.257
201 HD13 LEU 26 3HD1 LEU 26 -10.399 5.659 4.791
202 HD21 LEU 26 3HD2 LEU 26 -10.311 4.366 1.171
203 HD22 LEU 26 1HD2 LEU 26 -9.771 5.821 2.009
204 HD23 LEU 26 2HD2 LEU 26 -11.464 5.337 2.085
205 H VAL 27 HN VAL 27 -10.086 1.809 1.914
206 HA VAL 27 HA VAL 27 -9.632 2.910 -0.732
207 HB VAL 27 HB VAL 27 -9.232 1.124 -1.818
208 HG11 VAL 27 1HG1 VAL 27 -8.242 -0.808 -0.629
209 HG12 VAL 27 2HG1 VAL 27 -8.814 -0.096 0.880
210 HG13 VAL 27 3HG1 VAL 27 -7.633 0.764 -0.110
211 HG21 VAL 27 3HG2 VAL 27 -11.416 0.227 -1.919
212 HG22 VAL 27 1HG2 VAL 27 -11.309 -0.367 -0.267
213 HG23 VAL 27 2HG2 VAL 27 -10.341 -1.115 -1.530
214 H ARG 28 HN ARG 28 -11.303 4.063 -1.155
215 HA ARG 28 HA ARG 28 -13.965 3.234 -0.356
216 HE ARG 28 HE ARG 28 -15.481 6.471 0.285
217 HB2 ARG 28 2HB ARG 28 -13.272 5.516 -2.196
218 HB3 ARG 28 1HB ARG 28 -14.709 5.335 -1.201
219 HG2 ARG 28 2HG ARG 28 -11.961 5.678 -0.036
220 HG3 ARG 28 1HG ARG 28 -13.018 7.037 -0.423
221 HD2 ARG 28 2HD ARG 28 -13.746 4.760 1.419
222 HD3 ARG 28 1HD ARG 28 -13.134 6.324 1.955
223 HH11 ARG 28 1HH1 ARG 28 -14.265 6.176 3.536
224 HH12 ARG 28 2HH1 ARG 28 -15.704 6.801 4.269
225 HH21 ARG 28 2HH2 ARG 28 -17.473 7.439 2.967
226 HH22 ARG 28 1HH2 ARG 28 -17.380 7.298 1.243
227 H TRP 29 HN TRP 29 -13.863 1.271 -1.436
228 HA TRP 29 HA TRP 29 -13.259 0.405 -3.821
229 HD1 TRP 29 HD1 TRP 29 -13.221 -1.210 -5.030
230 HE1 TRP 29 HE1 TRP 29 -12.843 -3.758 -5.085
231 HE3 TRP 29 HE3 TRP 29 -16.350 -2.577 -1.228
232 HZ2 TRP 29 HZ2 TRP 29 -13.755 -6.043 -3.699
233 HZ3 TRP 29 HZ3 TRP 29 -16.543 -4.962 -0.655
234 HH2 TRP 29 HH2 TRP 29 -15.272 -6.659 -1.867
235 HB2 TRP 29 2HB TRP 29 -15.174 -0.298 -1.938
236 HB3 TRP 29 1HB TRP 29 -16.066 -0.207 -3.452
237 H LYS 30 HN LYS 30 -13.040 1.990 -5.317
238 HA LYS 30 HA LYS 30 -14.473 3.865 -6.447
239 HB2 LYS 30 2HB LYS 30 -12.484 2.766 -7.509
240 HB3 LYS 30 1HB LYS 30 -13.572 1.562 -8.185
241 HG2 LYS 30 2HG LYS 30 -14.749 3.305 -9.420
242 HG3 LYS 30 1HG LYS 30 -13.669 4.522 -8.733
243 HD2 LYS 30 2HD LYS 30 -12.949 3.934 -10.974
244 HD3 LYS 30 1HD LYS 30 -11.756 3.392 -9.793
245 HE2 LYS 30 2HE LYS 30 -12.639 1.128 -9.912
246 HE3 LYS 30 1HE LYS 30 -13.883 1.658 -11.046
247 HZ1 LYS 30 3HZ LYS 30 -10.952 1.722 -11.533
248 HZ2 LYS 30 1HZ LYS 30 -12.140 2.245 -12.620
249 HZ3 LYS 30 2HZ LYS 30 -12.041 0.610 -12.196
250 H ASP 31 HN ASP 31 -15.473 0.493 -6.682
251 HA ASP 31 HA ASP 31 -18.102 1.400 -7.659
252 HB2 ASP 31 2HB ASP 31 -16.724 -1.223 -8.292
253 HB3 ASP 31 1HB ASP 31 -18.321 -0.735 -8.850
254 H GLY 32 HN GLY 32 -17.950 1.499 -5.076
255 HA2 GLY 32 2HA GLY 32 -19.332 -0.922 -4.145
256 HA3 GLY 32 1HA GLY 32 -17.965 -0.312 -3.220
257 H GLY 33 HN GLY 33 -19.473 -0.171 -1.455
258 HA2 GLY 33 2HA GLY 33 -20.772 2.448 -1.415
259 HA3 GLY 33 1HA GLY 33 -21.768 1.048 -1.045
260 H ASP 34 HN ASP 34 -18.464 0.900 -0.104
261 HA ASP 34 HA ASP 34 -19.072 1.798 2.615
262 HB2 ASP 34 2HB ASP 34 -17.849 -0.892 1.956
263 HB3 ASP 34 1HB ASP 34 -18.050 -0.227 3.574
264 H CYS 35 HN CYS 35 -16.823 1.352 3.929
265 HA CYS 35 HA CYS 35 -14.527 2.032 2.284
266 HG CYS 35 HG CYS 35 -14.871 4.582 5.903
267 HB2 CYS 35 2HB CYS 35 -14.009 4.070 3.544
268 HB3 CYS 35 1HB CYS 35 -15.557 4.213 2.718
269 H GLU 36 HN GLU 36 -13.085 0.592 2.956
270 HA GLU 36 HA GLU 36 -12.718 0.239 5.855
271 HB2 GLU 36 2HB GLU 36 -12.895 -1.779 3.673
272 HB3 GLU 36 1HB GLU 36 -11.784 -2.093 4.995
273 HG2 GLU 36 2HG GLU 36 -14.731 -1.552 5.270
274 HG3 GLU 36 1HG GLU 36 -13.961 -3.136 5.353
275 H TRP 37 HN TRP 37 -10.442 -1.077 6.062
276 HA TRP 37 HA TRP 37 -8.486 0.675 4.746
277 HD1 TRP 37 HD1 TRP 37 -8.496 2.810 6.164
278 HE1 TRP 37 HE1 TRP 37 -9.785 4.100 7.980
279 HE3 TRP 37 HE3 TRP 37 -9.285 -1.012 9.464
280 HZ2 TRP 37 HZ2 TRP 37 -10.979 3.567 10.482
281 HZ3 TRP 37 HZ3 TRP 37 -10.509 -0.539 11.546
282 HH2 TRP 37 HH2 TRP 37 -11.338 1.703 12.043
283 HB2 TRP 37 2HB TRP 37 -8.214 -0.895 7.315
284 HB3 TRP 37 1HB TRP 37 -7.051 0.248 6.663
285 H VAL 38 HN VAL 38 -6.493 -0.178 4.051
286 HA VAL 38 HA VAL 38 -6.667 -2.909 3.060
287 HB VAL 38 HB VAL 38 -4.690 -0.681 2.559
288 HG11 VAL 38 1HG1 VAL 38 -3.449 -2.756 2.504
289 HG12 VAL 38 2HG1 VAL 38 -3.637 -2.111 0.883
290 HG13 VAL 38 3HG1 VAL 38 -4.639 -3.460 1.410
291 HG21 VAL 38 3HG2 VAL 38 -7.136 -0.999 1.521
292 HG22 VAL 38 1HG2 VAL 38 -6.197 -1.957 0.379
293 HG23 VAL 38 2HG2 VAL 38 -5.798 -0.258 0.641
294 H LYS 39 HN LYS 39 -4.752 -4.332 3.254
295 HA LYS 39 HA LYS 39 -3.937 -4.396 5.993
296 HB2 LYS 39 2HB LYS 39 -4.610 -6.456 4.824
297 HB3 LYS 39 1HB LYS 39 -3.239 -6.275 3.739
298 HG2 LYS 39 2HG LYS 39 -1.708 -6.544 5.619
299 HG3 LYS 39 1HG LYS 39 -3.081 -6.709 6.715
300 HD2 LYS 39 2HD LYS 39 -3.815 -8.697 5.451
301 HD3 LYS 39 1HD LYS 39 -2.388 -8.546 4.423
302 HE2 LYS 39 2HE LYS 39 -0.942 -8.874 6.350
303 HE3 LYS 39 1HE LYS 39 -2.347 -8.958 7.411
304 HZ1 LYS 39 3HZ LYS 39 -3.072 -10.937 6.190
305 HZ2 LYS 39 1HZ LYS 39 -1.552 -11.160 6.901
306 HZ3 LYS 39 2HZ LYS 39 -1.675 -10.869 5.239
307 H GLY 40 HN GLY 40 -2.468 -3.015 6.584
308 HA2 GLY 40 2HA GLY 40 -0.159 -2.490 4.918
309 HA3 GLY 40 1HA GLY 40 -0.551 -1.688 6.430
310 H VAL 41 HN VAL 41 -0.185 -5.123 5.673
311 HA VAL 41 HA VAL 41 2.072 -5.229 7.561
312 HB VAL 41 HB VAL 41 0.419 -7.650 7.004
313 HG11 VAL 41 1HG1 VAL 41 1.977 -6.687 9.396
314 HG12 VAL 41 2HG1 VAL 41 2.482 -7.911 8.230
315 HG13 VAL 41 3HG1 VAL 41 1.112 -8.221 9.296
316 HG21 VAL 41 3HG2 VAL 41 -0.317 -5.527 9.023
317 HG22 VAL 41 1HG2 VAL 41 -1.045 -7.128 8.914
318 HG23 VAL 41 2HG2 VAL 41 -1.250 -5.976 7.596
319 H HIS 42 HN HIS 42 1.313 -5.328 4.373
320 HA HIS 42 HA HIS 42 2.769 -7.633 3.551
321 HD1 HIS 42 HD1 HIS 42 0.074 -6.778 0.128
322 HD2 HIS 42 HD2 HIS 42 3.069 -9.058 1.890
323 HE1 HIS 42 HE1 HIS 42 -0.076 -9.041 -0.958
324 HE2 HIS 42 HE2 HIS 42 1.740 -10.407 0.128
325 HB2 HIS 42 2HB HIS 42 1.071 -5.762 2.315
326 HB3 HIS 42 1HB HIS 42 2.629 -5.627 1.498
327 H VAL 43 HN VAL 43 4.503 -7.379 4.865
328 HA VAL 43 HA VAL 43 6.328 -5.315 4.897
329 HB VAL 43 HB VAL 43 6.957 -8.236 5.239
330 HG11 VAL 43 1HG1 VAL 43 8.683 -6.051 5.164
331 HG12 VAL 43 2HG1 VAL 43 9.034 -7.661 5.789
332 HG13 VAL 43 3HG1 VAL 43 8.461 -6.398 6.879
333 HG21 VAL 43 3HG2 VAL 43 5.136 -7.552 6.697
334 HG22 VAL 43 1HG2 VAL 43 6.086 -6.179 7.266
335 HG23 VAL 43 2HG2 VAL 43 6.606 -7.824 7.632
336 H ALA 44 HN ALA 44 6.243 -4.756 2.565
337 HA ALA 44 HA ALA 44 8.089 -6.278 0.923
338 HB1 ALA 44 3HB ALA 44 7.422 -4.894 -0.897
339 HB2 ALA 44 1HB ALA 44 6.663 -3.734 0.191
340 HB3 ALA 44 2HB ALA 44 5.961 -5.338 -0.017
341 H GLU 45 HN GLU 45 9.367 -5.451 3.057
342 HA GLU 45 HA GLU 45 10.465 -2.964 3.289
343 HB2 GLU 45 2HB GLU 45 12.211 -3.909 4.531
344 HB3 GLU 45 1HB GLU 45 10.900 -5.063 4.712
345 HG2 GLU 45 2HG GLU 45 11.930 -6.479 2.982
346 HG3 GLU 45 1HG GLU 45 13.251 -5.323 2.845
347 H ASP 46 HN ASP 46 11.074 -5.341 0.862
348 HA ASP 46 HA ASP 46 13.482 -4.242 -0.191
349 HB2 ASP 46 2HB ASP 46 11.355 -5.850 -1.625
350 HB3 ASP 46 1HB ASP 46 13.008 -5.590 -2.173
351 H VAL 47 HN VAL 47 10.080 -3.882 -1.119
352 HA VAL 47 HA VAL 47 10.470 -2.125 -3.261
353 HB VAL 47 HB VAL 47 8.115 -2.177 -1.375
354 HG11 VAL 47 1HG1 VAL 47 8.632 -0.390 -3.351
355 HG12 VAL 47 2HG1 VAL 47 7.017 -0.844 -2.809
356 HG13 VAL 47 3HG1 VAL 47 7.723 -1.621 -4.228
357 HG21 VAL 47 3HG2 VAL 47 8.674 -4.409 -2.289
358 HG22 VAL 47 1HG2 VAL 47 8.520 -3.752 -3.915
359 HG23 VAL 47 2HG2 VAL 47 7.116 -3.806 -2.848
360 H ALA 48 HN ALA 48 10.419 -1.623 0.135
361 HA ALA 48 HA ALA 48 10.266 1.236 0.177
362 HB1 ALA 48 3HB ALA 48 9.346 -0.007 2.028
363 HB2 ALA 48 1HB ALA 48 10.708 0.962 2.589
364 HB3 ALA 48 2HB ALA 48 10.905 -0.771 2.329
365 H LYS 49 HN LYS 49 12.748 -1.110 1.208
366 HA LYS 49 HA LYS 49 14.835 0.728 1.434
367 HB2 LYS 49 2HB LYS 49 14.901 -1.627 2.268
368 HB3 LYS 49 1HB LYS 49 15.060 -2.177 0.605
369 HG2 LYS 49 2HG LYS 49 17.163 -0.859 0.436
370 HG3 LYS 49 1HG LYS 49 17.020 -0.501 2.158
371 HD2 LYS 49 2HD LYS 49 18.508 -2.359 1.910
372 HD3 LYS 49 1HD LYS 49 16.994 -2.961 2.590
373 HE2 LYS 49 2HE LYS 49 16.292 -3.700 0.363
374 HE3 LYS 49 1HE LYS 49 17.807 -3.100 -0.313
375 HZ1 LYS 49 3HZ LYS 49 17.949 -5.458 0.051
376 HZ2 LYS 49 1HZ LYS 49 17.512 -5.286 1.677
377 HZ3 LYS 49 2HZ LYS 49 18.990 -4.675 1.129
378 H ASP 50 HN ASP 50 13.362 -0.809 -1.287
379 HA ASP 50 HA ASP 50 15.423 0.074 -3.134
380 HB2 ASP 50 2HB ASP 50 14.206 -2.199 -3.249
381 HB3 ASP 50 1HB ASP 50 12.835 -1.281 -3.875
382 H TYR 51 HN TYR 51 12.325 1.044 -1.915
383 HA TYR 51 HA TYR 51 11.613 2.681 -4.088
384 HD1 TYR 51 HD1 TYR 51 10.021 3.346 -4.923
385 HD2 TYR 51 HD2 TYR 51 8.216 1.585 -1.496
386 HE1 TYR 51 HE1 TYR 51 8.029 2.813 -6.256
387 HE2 TYR 51 HE2 TYR 51 6.218 1.047 -2.823
388 HH TYR 51 HH TYR 51 5.097 1.804 -4.858
389 HB2 TYR 51 2HB TYR 51 10.527 2.197 -1.457
390 HB3 TYR 51 1HB TYR 51 10.364 3.862 -1.936
391 H GLU 52 HN GLU 52 12.369 3.594 -0.785
392 HA GLU 52 HA GLU 52 13.202 6.207 -1.596
393 HB2 GLU 52 2HB GLU 52 13.474 6.651 0.805
394 HB3 GLU 52 1HB GLU 52 11.894 5.984 0.423
395 HG2 GLU 52 2HG GLU 52 12.579 3.810 1.225
396 HG3 GLU 52 1HG GLU 52 14.210 4.407 1.519
397 H ASP 53 HN ASP 53 14.734 3.414 -0.064
398 HA ASP 53 HA ASP 53 17.325 4.666 -0.040
399 HB2 ASP 53 2HB ASP 53 16.170 2.080 0.861
400 HB3 ASP 53 1HB ASP 53 17.911 2.145 0.584
401 H GLY 54 HN GLY 54 15.523 2.794 -2.283
402 HA2 GLY 54 2HA GLY 54 17.765 1.620 -3.635
403 HA3 GLY 54 1HA GLY 54 16.117 1.706 -4.237
404 H LEU 55 HN LEU 55 15.731 4.469 -4.216
405 HA LEU 55 HA LEU 55 17.136 5.192 -6.609
406 HG LEU 55 HG LEU 55 16.451 8.339 -6.275
407 HB2 LEU 55 2HB LEU 55 14.796 5.811 -6.285
408 HB3 LEU 55 1HB LEU 55 15.228 6.772 -4.883
409 HD11 LEU 55 1HD1 LEU 55 15.656 6.570 -8.584
410 HD12 LEU 55 2HD1 LEU 55 17.287 6.774 -7.945
411 HD13 LEU 55 3HD1 LEU 55 16.463 8.133 -8.709
412 HD21 LEU 55 3HD2 LEU 55 14.593 9.279 -7.529
413 HD22 LEU 55 1HD2 LEU 55 14.041 8.678 -5.965
414 HD23 LEU 55 2HD2 LEU 55 13.727 7.745 -7.430
415 H GLU 56 HN GLU 56 16.816 6.882 -3.481
416 HA GLU 56 HA GLU 56 19.293 8.303 -3.993
417 HB2 GLU 56 2HB GLU 56 17.346 8.456 -1.703
418 HB3 GLU 56 1HB GLU 56 18.769 9.471 -1.860
419 HG2 GLU 56 2HG GLU 56 16.409 9.393 -3.725
420 HG3 GLU 56 1HG GLU 56 16.797 10.667 -2.570
421 H TYR 57 HN TYR 57 20.165 5.923 -3.937
422 HA TYR 57 HA TYR 57 20.703 4.906 -1.290
423 HD1 TYR 57 HD1 TYR 57 20.498 1.822 -1.393
424 HD2 TYR 57 HD2 TYR 57 24.029 3.515 -3.054
425 HE1 TYR 57 HE1 TYR 57 21.850 0.141 -0.214
426 HE2 TYR 57 HE2 TYR 57 25.393 1.838 -1.880
427 HH TYR 57 HH TYR 57 24.044 -0.911 -0.386
428 HB2 TYR 57 2HB TYR 57 20.361 3.392 -3.214
429 HB3 TYR 57 1HB TYR 57 21.812 4.041 -3.969
430 HA ALA 1 HA ALA 1 -14.890 -10.621 2.962
431 H1 ALA 1 1H ALA 1 -13.195 -11.441 1.772
432 H2 ALA 1 2H ALA 1 -12.000 -10.870 2.819
433 H3 ALA 1 3H ALA 1 -12.735 -9.812 1.720
434 HB1 ALA 1 3HB ALA 1 -13.687 -12.137 4.433
435 HB2 ALA 1 1HB ALA 1 -14.467 -10.852 5.355
436 HB3 ALA 1 2HB ALA 1 -12.731 -10.794 5.057
437 HA PRO 2 HA PRO 2 -13.103 -6.476 5.118
438 HB2 PRO 2 1HB PRO 2 -11.069 -5.533 4.566
439 HB3 PRO 2 2HB PRO 2 -11.189 -6.016 2.870
440 HG2 PRO 2 2HG PRO 2 -9.678 -7.607 3.639
441 HG3 PRO 2 1HG PRO 2 -10.400 -7.639 5.259
442 HD2 PRO 2 2HD PRO 2 -11.251 -9.040 2.777
443 HD3 PRO 2 1HD PRO 2 -11.409 -9.540 4.471
444 HA PRO 3 HA PRO 3 -16.003 -5.119 1.873
445 HB2 PRO 3 1HB PRO 3 -17.693 -5.349 3.425
446 HB3 PRO 3 2HB PRO 3 -17.534 -3.589 3.489
447 HG2 PRO 3 2HG PRO 3 -16.246 -3.649 5.422
448 HG3 PRO 3 1HG PRO 3 -17.292 -5.055 5.698
449 HD2 PRO 3 2HD PRO 3 -14.578 -5.203 5.715
450 HD3 PRO 3 1HD PRO 3 -15.615 -6.554 5.214
451 H GLY 4 HN GLY 4 -13.786 -3.979 1.359
452 HA2 GLY 4 2HA GLY 4 -13.916 -1.606 0.349
453 HA3 GLY 4 1HA GLY 4 -13.954 -1.120 2.036
454 H THR 5 HN THR 5 -12.023 -3.282 -0.041
455 HA THR 5 HA THR 5 -9.607 -1.878 0.714
456 HB THR 5 HB THR 5 -8.435 -3.756 1.628
457 HG1 THR 5 HG1 THR 5 -9.127 -5.591 0.753
458 HG21 THR 5 3HG2 THR 5 -11.162 -3.688 2.921
459 HG22 THR 5 1HG2 THR 5 -9.910 -2.468 3.163
460 HG23 THR 5 2HG2 THR 5 -9.635 -4.131 3.684
461 H ALA 6 HN ALA 6 -7.646 -3.051 -0.295
462 HA ALA 6 HA ALA 6 -8.021 -4.708 -2.559
463 HB1 ALA 6 3HB ALA 6 -9.004 -2.627 -3.461
464 HB2 ALA 6 1HB ALA 6 -7.568 -3.145 -4.344
465 HB3 ALA 6 2HB ALA 6 -7.464 -1.813 -3.194
466 H ARG 7 HN ARG 7 -6.362 -4.788 -0.362
467 HA ARG 7 HA ARG 7 -3.868 -3.746 -0.352
468 HE ARG 7 HE ARG 7 -2.342 -7.519 1.182
469 HB2 ARG 7 2HB ARG 7 -3.091 -5.780 0.714
470 HB3 ARG 7 1HB ARG 7 -4.709 -5.390 1.280
471 HG2 ARG 7 2HG ARG 7 -5.663 -7.069 -0.174
472 HG3 ARG 7 1HG ARG 7 -4.072 -7.420 -0.850
473 HD2 ARG 7 2HD ARG 7 -4.884 -7.793 2.031
474 HD3 ARG 7 1HD ARG 7 -4.737 -9.076 0.831
475 HH11 ARG 7 1HH1 ARG 7 -4.171 -10.268 2.288
476 HH12 ARG 7 2HH1 ARG 7 -2.796 -11.076 2.963
477 HH21 ARG 7 2HH2 ARG 7 -0.722 -10.111 2.840
478 HH22 ARG 7 1HH2 ARG 7 -0.524 -8.573 2.068
479 H ARG 8 HN ARG 8 -2.012 -3.833 -1.510
480 HA ARG 8 HA ARG 8 -1.993 -4.694 -4.150
481 HE ARG 8 HE ARG 8 1.590 -3.875 -6.838
482 HB2 ARG 8 2HB ARG 8 -0.373 -3.095 -3.011
483 HB3 ARG 8 1HB ARG 8 0.465 -4.517 -2.403
484 HG2 ARG 8 2HG ARG 8 1.568 -3.678 -4.378
485 HG3 ARG 8 1HG ARG 8 0.852 -5.257 -4.711
486 HD2 ARG 8 2HD ARG 8 -1.023 -4.211 -5.825
487 HD3 ARG 8 1HD ARG 8 -0.415 -2.610 -5.407
488 HH11 ARG 8 1HH1 ARG 8 -1.696 -2.852 -7.364
489 HH12 ARG 8 2HH1 ARG 8 -1.474 -2.568 -9.058
490 HH21 ARG 8 2HH2 ARG 8 0.566 -2.937 -10.028
491 HH22 ARG 8 1HH2 ARG 8 1.895 -3.501 -9.071
492 H LYS 9 HN LYS 9 -1.555 -6.592 -5.133
493 HA LYS 9 HA LYS 9 -0.948 -8.862 -3.352
494 HB2 LYS 9 2HB LYS 9 -2.388 -10.249 -4.475
495 HB3 LYS 9 1HB LYS 9 -3.234 -8.721 -4.622
496 HG2 LYS 9 2HG LYS 9 -1.929 -8.585 -6.910
497 HG3 LYS 9 1HG LYS 9 -1.825 -10.330 -6.698
498 HD2 LYS 9 2HD LYS 9 -4.353 -8.689 -6.721
499 HD3 LYS 9 1HD LYS 9 -3.777 -9.733 -8.021
500 HE2 LYS 9 2HE LYS 9 -4.602 -10.592 -5.249
501 HE3 LYS 9 1HE LYS 9 -5.495 -10.867 -6.743
502 HZ1 LYS 9 3HZ LYS 9 -4.260 -12.830 -6.048
503 HZ2 LYS 9 1HZ LYS 9 -2.807 -11.967 -6.126
504 HZ3 LYS 9 2HZ LYS 9 -3.696 -12.256 -7.536
505 H ARG 10 HN ARG 10 1.080 -7.247 -4.563
506 HA ARG 10 HA ARG 10 2.201 -9.019 -6.604
507 HE ARG 10 HE ARG 10 5.521 -6.203 -7.085
508 HB2 ARG 10 2HB ARG 10 3.735 -7.291 -7.136
509 HB3 ARG 10 1HB ARG 10 2.177 -6.508 -6.917
510 HG2 ARG 10 2HG ARG 10 2.819 -5.750 -4.722
511 HG3 ARG 10 1HG ARG 10 4.344 -6.629 -4.831
512 HD2 ARG 10 2HD ARG 10 3.461 -4.280 -6.499
513 HD3 ARG 10 1HD ARG 10 4.768 -4.322 -5.316
514 HH11 ARG 10 1HH1 ARG 10 4.477 -2.901 -7.451
515 HH12 ARG 10 2HH1 ARG 10 5.421 -2.624 -8.877
516 HH21 ARG 10 2HH2 ARG 10 6.728 -4.300 -9.732
517 HH22 ARG 10 1HH2 ARG 10 6.771 -5.849 -8.959
518 H LYS 11 HN LYS 11 2.463 -8.221 -3.276
519 HA LYS 11 HA LYS 11 4.014 -8.669 -1.656
520 HB2 LYS 11 2HB LYS 11 4.504 -11.194 -1.609
521 HB3 LYS 11 1HB LYS 11 2.837 -10.658 -1.472
522 HG2 LYS 11 2HG LYS 11 3.937 -11.364 -4.154
523 HG3 LYS 11 1HG LYS 11 3.467 -12.642 -3.035
524 HD2 LYS 11 2HD LYS 11 1.226 -11.676 -2.868
525 HD3 LYS 11 1HD LYS 11 1.693 -10.390 -3.981
526 HE2 LYS 11 2HE LYS 11 1.668 -13.337 -4.620
527 HE3 LYS 11 1HE LYS 11 0.427 -12.179 -5.096
528 HZ1 LYS 11 3HZ LYS 11 2.081 -10.986 -6.387
529 HZ2 LYS 11 1HZ LYS 11 1.989 -12.599 -6.890
530 HZ3 LYS 11 2HZ LYS 11 3.279 -12.088 -5.923
531 H ALA 12 HN ALA 12 5.565 -7.299 -3.052
532 HA ALA 12 HA ALA 12 7.642 -8.363 -4.538
533 HB1 ALA 12 3HB ALA 12 7.250 -5.960 -4.270
534 HB2 ALA 12 1HB ALA 12 8.921 -6.383 -3.890
535 HB3 ALA 12 2HB ALA 12 7.774 -6.068 -2.587
536 H ASP 13 HN ASP 13 7.070 -8.421 -1.121
537 HA ASP 13 HA ASP 13 9.673 -9.703 -0.658
538 HB2 ASP 13 2HB ASP 13 9.322 -7.698 0.675
539 HB3 ASP 13 1HB ASP 13 7.779 -8.315 1.259
540 H SER 14 HN SER 14 7.557 -11.126 -1.861
541 HA SER 14 HA SER 14 5.951 -12.593 -0.121
542 HG SER 14 HG SER 14 7.190 -14.233 -3.591
543 HB2 SER 14 2HB SER 14 5.826 -14.270 -1.945
544 HB3 SER 14 1HB SER 14 5.595 -12.622 -2.532
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 8.790 5.873 -7.316
2 H2 GLY 1 2H GLY 1 8.588 4.869 -5.971
3 H3 GLY 1 3H GLY 1 8.675 4.197 -7.519
4 HA2 GLY 1 1HA GLY 1 10.762 3.849 -6.395
5 HA3 GLY 1 2HA GLY 1 10.964 4.950 -7.748
6 H SER 2 HN SER 2 9.618 5.629 -4.521
7 HA SER 2 HA SER 2 11.879 6.796 -3.391
8 HG SER 2 HG SER 2 9.931 9.870 -5.182
9 HB2 SER 2 2HB SER 2 11.445 9.187 -3.696
10 HB3 SER 2 1HB SER 2 11.786 8.387 -5.227
11 H GLN 3 HN GLN 3 8.382 6.724 -3.628
12 HA GLN 3 HA GLN 3 8.076 7.776 -0.950
13 HB2 GLN 3 2HB GLN 3 6.091 6.738 -2.940
14 HB3 GLN 3 1HB GLN 3 5.646 7.336 -1.353
15 HG2 GLN 3 2HG GLN 3 6.685 9.515 -1.972
16 HG3 GLN 3 1HG GLN 3 6.902 8.885 -3.604
17 HE21 GLN 3 2HE2 GLN 3 3.136 8.577 -3.729
18 HE22 GLN 3 1HE2 GLN 3 4.390 7.402 -3.569
19 H VAL 4 HN VAL 4 7.608 6.584 0.850
20 HA VAL 4 HA VAL 4 8.120 3.735 0.621
21 HB VAL 4 HB VAL 4 9.314 5.024 2.331
22 HG11 VAL 4 1HG1 VAL 4 6.809 5.272 3.940
23 HG12 VAL 4 2HG1 VAL 4 7.217 6.508 2.752
24 HG13 VAL 4 3HG1 VAL 4 8.326 6.158 4.077
25 HG21 VAL 4 3HG2 VAL 4 8.692 3.526 4.291
26 HG22 VAL 4 1HG2 VAL 4 9.146 2.728 2.784
27 HG23 VAL 4 2HG2 VAL 4 7.448 2.857 3.236
28 H PHE 5 HN PHE 5 5.988 3.451 -0.491
29 HA PHE 5 HA PHE 5 4.210 2.004 0.958
30 1HB PHE 5 2HB PHE 5 2.257 3.668 1.142
31 2HB PHE 5 1HB PHE 5 3.513 3.751 2.367
32 HD1 PHE 5 HD1 PHE 5 3.347 4.721 3.042
33 HD2 PHE 5 HD2 PHE 5 3.955 5.989 -0.974
34 HE1 PHE 5 HE1 PHE 5 5.782 4.614 3.381
35 HE2 PHE 5 HE2 PHE 5 6.390 5.882 -0.643
36 HZ PHE 5 HZ PHE 5 3.994 9.105 0.214
37 H GLU 6 HN GLU 6 1.851 2.085 -0.056
38 HA GLU 6 HA GLU 6 1.784 2.894 -2.827
39 HB2 GLU 6 2HB GLU 6 2.930 0.736 -2.989
40 HB3 GLU 6 1HB GLU 6 1.649 -0.033 -2.061
41 HG2 GLU 6 2HG GLU 6 1.357 -0.535 -4.385
42 HG3 GLU 6 1HG GLU 6 0.058 0.536 -3.860
43 H TYR 7 HN TYR 7 -0.358 2.994 -3.628
44 HA TYR 7 HA TYR 7 -2.364 2.887 -1.541
45 HD1 TYR 7 HD1 TYR 7 -0.581 4.993 -2.043
46 HD2 TYR 7 HD2 TYR 7 -2.695 5.251 -5.725
47 HE1 TYR 7 HE1 TYR 7 1.040 6.653 -2.849
48 HE2 TYR 7 HE2 TYR 7 -1.073 6.907 -6.544
49 HH TYR 7 HH TYR 7 1.874 7.551 -4.928
50 HB2 TYR 7 2HB TYR 7 -3.335 3.643 -4.179
51 HB3 TYR 7 1HB TYR 7 -3.434 4.491 -2.647
52 H ALA 8 HN ALA 8 -3.271 1.032 -1.158
53 HA ALA 8 HA ALA 8 -3.742 -0.843 -3.349
54 HB1 ALA 8 3HB ALA 8 -2.807 -1.957 -1.528
55 HB2 ALA 8 1HB ALA 8 -4.529 -2.304 -1.386
56 HB3 ALA 8 2HB ALA 8 -3.792 -1.077 -0.356
57 H GLU 9 HN GLU 9 -5.310 1.613 -3.203
58 HA GLU 9 HA GLU 9 -7.937 0.576 -2.440
59 1HB GLU 9 2HB GLU 9 -8.670 2.734 -2.134
60 2HB GLU 9 1HB GLU 9 -7.013 2.791 -1.584
61 1HG GLU 9 2HG GLU 9 -8.056 3.728 -4.243
62 2HG GLU 9 1HG GLU 9 -7.595 4.752 -2.887
63 H VAL 10 HN VAL 10 -9.732 1.604 -3.688
64 HA VAL 10 HA VAL 10 -9.208 0.929 -6.438
65 HB VAL 10 HB VAL 10 -11.808 0.751 -5.023
66 HG11 VAL 10 1HG1 VAL 10 -10.955 -0.463 -7.640
67 HG12 VAL 10 2HG1 VAL 10 -11.924 1.002 -7.486
68 HG13 VAL 10 3HG1 VAL 10 -12.559 -0.539 -6.913
69 HG21 VAL 10 3HG2 VAL 10 -11.258 -1.774 -5.246
70 HG22 VAL 10 1HG2 VAL 10 -10.540 -0.839 -3.931
71 HG23 VAL 10 2HG2 VAL 10 -9.594 -1.210 -5.372
72 H ASP 11 HN ASP 11 -10.169 3.453 -4.424
73 HA ASP 11 HA ASP 11 -10.562 5.155 -6.741
74 HB2 ASP 11 2HB ASP 11 -12.835 4.318 -6.152
75 HB3 ASP 11 1HB ASP 11 -12.647 5.030 -4.555
76 H GLU 12 HN GLU 12 -10.433 4.893 -3.222
77 HA GLU 12 HA GLU 12 -8.735 7.238 -3.085
78 HB2 GLU 12 2HB GLU 12 -11.489 7.204 -1.859
79 HB3 GLU 12 1HB GLU 12 -10.222 8.303 -1.325
80 HG2 GLU 12 2HG GLU 12 -10.090 9.225 -3.602
81 HG3 GLU 12 1HG GLU 12 -11.407 8.157 -4.089
82 H ILE 13 HN ILE 13 -8.050 7.673 -0.764
83 HA ILE 13 HA ILE 13 -8.260 5.316 0.968
84 HB ILE 13 HB ILE 13 -5.877 5.119 1.341
85 HG12 ILE 13 2HG1 ILE 13 -5.367 7.567 1.146
86 HG13 ILE 13 1HG1 ILE 13 -4.240 6.554 0.245
87 HG21 ILE 13 1HG2 ILE 13 -5.615 5.345 -1.541
88 HG22 ILE 13 2HG2 ILE 13 -7.104 4.558 -1.044
89 HG23 ILE 13 3HG2 ILE 13 -5.560 3.923 -0.501
90 HD11 ILE 13 3HD1 ILE 13 -5.951 7.033 -1.713
91 HD12 ILE 13 1HD1 ILE 13 -4.644 8.152 -1.315
92 HD13 ILE 13 2HD1 ILE 13 -6.278 8.464 -0.733
93 H VAL 14 HN VAL 14 -6.552 6.091 2.977
94 HA VAL 14 HA VAL 14 -7.039 8.875 3.633
95 HB VAL 14 HB VAL 14 -8.170 6.648 5.339
96 HG11 VAL 14 1HG1 VAL 14 -8.025 9.610 5.903
97 HG12 VAL 14 2HG1 VAL 14 -7.114 8.350 6.736
98 HG13 VAL 14 3HG1 VAL 14 -8.870 8.414 6.886
99 HG21 VAL 14 3HG2 VAL 14 -9.560 8.991 4.046
100 HG22 VAL 14 1HG2 VAL 14 -10.310 7.668 4.938
101 HG23 VAL 14 2HG2 VAL 14 -9.535 7.358 3.386
102 H GLU 15 HN GLU 15 -6.069 5.796 5.121
103 HA GLU 15 HA GLU 15 -3.837 7.134 6.439
104 HB2 GLU 15 2HB GLU 15 -4.823 4.276 6.580
105 HB3 GLU 15 1HB GLU 15 -3.466 4.907 7.503
106 HG2 GLU 15 2HG GLU 15 -6.318 5.853 7.696
107 HG3 GLU 15 1HG GLU 15 -5.498 4.793 8.841
108 H LYS 16 HN LYS 16 -1.732 6.934 5.788
109 HA LYS 16 HA LYS 16 -1.021 4.854 3.874
110 HB2 LYS 16 2HB LYS 16 0.017 6.641 2.373
111 HB3 LYS 16 1HB LYS 16 -1.732 6.478 2.318
112 HG2 LYS 16 2HG LYS 16 -1.895 8.389 3.900
113 HG3 LYS 16 1HG LYS 16 -0.146 8.588 3.766
114 HD2 LYS 16 2HD LYS 16 -0.380 8.940 1.349
115 HD3 LYS 16 1HD LYS 16 -2.129 8.758 1.497
116 HE2 LYS 16 2HE LYS 16 -0.427 10.905 2.759
117 HE3 LYS 16 1HE LYS 16 -1.541 11.106 1.408
118 HZ1 LYS 16 3HZ LYS 16 -3.367 10.504 2.878
119 HZ2 LYS 16 1HZ LYS 16 -2.533 11.851 3.473
120 HZ3 LYS 16 2HZ LYS 16 -2.296 10.330 4.174
121 H ARG 17 HN ARG 17 0.441 4.128 5.525
122 HA ARG 17 HA ARG 17 2.941 5.580 5.609
123 HE ARG 17 HE ARG 17 0.593 9.327 7.109
124 HB2 ARG 17 2HB ARG 17 1.361 5.120 8.144
125 HB3 ARG 17 1HB ARG 17 3.068 5.535 8.115
126 HG2 ARG 17 2HG ARG 17 2.276 7.620 8.358
127 HG3 ARG 17 1HG ARG 17 2.095 7.530 6.607
128 HD2 ARG 17 2HD ARG 17 -0.246 6.675 7.020
129 HD3 ARG 17 1HD ARG 17 -0.013 7.100 8.713
130 HH11 ARG 17 1HH1 ARG 17 -2.126 7.410 8.139
131 HH12 ARG 17 2HH1 ARG 17 -3.261 8.712 8.004
132 HH21 ARG 17 2HH2 ARG 17 -2.559 10.781 7.315
133 HH22 ARG 17 1HH2 ARG 17 -0.893 11.049 6.928
134 H GLY 18 HN GLY 18 3.951 3.759 4.690
135 HA2 GLY 18 2HA GLY 18 4.392 1.606 6.601
136 HA3 GLY 18 1HA GLY 18 3.646 1.145 5.088
137 H LYS 19 HN LYS 19 5.039 0.137 3.904
138 HA LYS 19 HA LYS 19 7.829 1.017 3.783
139 HB2 LYS 19 2HB LYS 19 6.459 -1.597 3.510
140 HB3 LYS 19 1HB LYS 19 8.025 -1.366 2.745
141 HG2 LYS 19 2HG LYS 19 9.049 -0.887 4.861
142 HG3 LYS 19 1HG LYS 19 7.478 -0.912 5.669
143 HD2 LYS 19 2HD LYS 19 7.226 -3.271 5.014
144 HD3 LYS 19 1HD LYS 19 8.843 -3.229 4.318
145 HE2 LYS 19 2HE LYS 19 9.786 -2.701 6.498
146 HE3 LYS 19 1HE LYS 19 8.170 -2.680 7.204
147 HZ1 LYS 19 3HZ LYS 19 9.305 -4.770 7.630
148 HZ2 LYS 19 1HZ LYS 19 9.481 -5.042 5.970
149 HZ3 LYS 19 2HZ LYS 19 7.939 -5.019 6.665
150 H GLY 20 HN GLY 20 5.848 -0.876 1.702
151 HA2 GLY 20 2HA GLY 20 5.838 1.053 -0.446
152 HA3 GLY 20 1HA GLY 20 6.671 -0.472 -0.749
153 H LYS 21 HN LYS 21 5.342 -2.231 0.562
154 HA LYS 21 HA LYS 21 2.546 -2.097 -0.332
155 HB2 LYS 21 2HB LYS 21 4.556 -3.909 -1.157
156 HB3 LYS 21 1HB LYS 21 3.454 -4.811 -0.125
157 HG2 LYS 21 2HG LYS 21 1.603 -3.750 -1.551
158 HG3 LYS 21 1HG LYS 21 2.897 -3.396 -2.697
159 HD2 LYS 21 2HD LYS 21 1.964 -5.470 -3.363
160 HD3 LYS 21 1HD LYS 21 3.501 -5.846 -2.580
161 HE2 LYS 21 2HE LYS 21 2.276 -6.333 -0.492
162 HE3 LYS 21 1HE LYS 21 0.758 -6.041 -1.339
163 HZ1 LYS 21 3HZ LYS 21 1.365 -7.856 -2.869
164 HZ2 LYS 21 1HZ LYS 21 1.191 -8.381 -1.269
165 HZ3 LYS 21 2HZ LYS 21 2.733 -8.174 -1.930
166 H ASP 22 HN ASP 22 4.678 -2.413 2.293
167 HA ASP 22 HA ASP 22 2.960 -3.983 3.939
168 HB2 ASP 22 2HB ASP 22 5.513 -3.913 4.083
169 HB3 ASP 22 1HB ASP 22 5.305 -2.351 4.851
170 H VAL 23 HN VAL 23 2.586 -1.068 2.837
171 HA VAL 23 HA VAL 23 1.916 0.336 5.256
172 HB VAL 23 HB VAL 23 2.942 1.500 3.355
173 HG11 VAL 23 1HG1 VAL 23 0.872 1.844 1.562
174 HG12 VAL 23 2HG1 VAL 23 0.823 0.124 1.938
175 HG13 VAL 23 3HG1 VAL 23 2.308 0.850 1.329
176 HG21 VAL 23 3HG2 VAL 23 0.155 2.547 3.559
177 HG22 VAL 23 1HG2 VAL 23 1.687 3.423 3.580
178 HG23 VAL 23 2HG2 VAL 23 1.186 2.485 4.989
179 H GLU 24 HN GLU 24 -0.203 1.235 5.565
180 HA GLU 24 HA GLU 24 -2.294 -0.553 4.527
181 HB2 GLU 24 2HB GLU 24 -3.595 0.156 6.559
182 HB3 GLU 24 1HB GLU 24 -2.175 -0.827 6.876
183 HG2 GLU 24 2HG GLU 24 -0.919 1.178 7.481
184 HG3 GLU 24 1HG GLU 24 -2.346 2.164 7.163
185 H TYR 25 HN TYR 25 -3.528 0.348 3.066
186 HA TYR 25 HA TYR 25 -4.079 3.215 3.190
187 HD1 TYR 25 HD1 TYR 25 -3.775 4.631 -0.218
188 HD2 TYR 25 HD2 TYR 25 -1.308 2.194 2.235
189 HE1 TYR 25 HE1 TYR 25 -1.898 6.165 -0.579
190 HE2 TYR 25 HE2 TYR 25 0.574 3.730 1.891
191 HH TYR 25 HH TYR 25 1.312 5.419 0.327
192 HB2 TYR 25 2HB TYR 25 -3.529 1.378 0.918
193 HB3 TYR 25 1HB TYR 25 -4.660 2.701 0.657
194 H LEU 26 HN LEU 26 -6.211 3.889 2.735
195 HA LEU 26 HA LEU 26 -8.221 1.881 3.353
196 HG LEU 26 HG LEU 26 -10.574 3.560 2.793
197 HB2 LEU 26 2HB LEU 26 -8.253 3.980 4.641
198 HB3 LEU 26 1HB LEU 26 -8.406 4.898 3.154
199 HD11 LEU 26 1HD1 LEU 26 -9.834 2.102 4.853
200 HD12 LEU 26 2HD1 LEU 26 -11.529 2.400 4.481
201 HD13 LEU 26 3HD1 LEU 26 -10.721 3.343 5.736
202 HD21 LEU 26 3HD2 LEU 26 -10.737 5.870 3.184
203 HD22 LEU 26 1HD2 LEU 26 -10.233 5.698 4.866
204 HD23 LEU 26 2HD2 LEU 26 -11.817 5.116 4.355
205 H VAL 27 HN VAL 27 -10.215 1.851 2.002
206 HA VAL 27 HA VAL 27 -9.739 2.911 -0.648
207 HB VAL 27 HB VAL 27 -9.472 1.085 -1.782
208 HG11 VAL 27 1HG1 VAL 27 -8.641 0.129 0.932
209 HG12 VAL 27 2HG1 VAL 27 -7.649 0.957 -0.268
210 HG13 VAL 27 3HG1 VAL 27 -8.208 -0.690 -0.567
211 HG21 VAL 27 3HG2 VAL 27 -11.656 0.093 -1.381
212 HG22 VAL 27 1HG2 VAL 27 -11.096 -0.539 0.168
213 HG23 VAL 27 2HG2 VAL 27 -10.404 -1.149 -1.335
214 H ARG 28 HN ARG 28 -11.384 4.065 -1.109
215 HA ARG 28 HA ARG 28 -14.061 3.269 -0.348
216 HE ARG 28 HE ARG 28 -12.387 7.891 1.369
217 HB2 ARG 28 2HB ARG 28 -13.335 5.465 -2.257
218 HB3 ARG 28 1HB ARG 28 -14.787 5.330 -1.281
219 HG2 ARG 28 2HG ARG 28 -13.361 5.644 0.745
220 HG3 ARG 28 1HG ARG 28 -12.011 5.996 -0.335
221 HD2 ARG 28 2HD ARG 28 -13.221 7.873 -1.281
222 HD3 ARG 28 1HD ARG 28 -14.628 7.494 -0.288
223 HH11 ARG 28 1HH1 ARG 28 -14.571 9.654 -0.690
224 HH12 ARG 28 2HH1 ARG 28 -14.422 11.133 0.198
225 HH21 ARG 28 2HH2 ARG 28 -13.063 11.237 2.039
226 HH22 ARG 28 1HH2 ARG 28 -12.182 9.835 2.549
227 H TRP 29 HN TRP 29 -13.602 1.257 -1.398
228 HA TRP 29 HA TRP 29 -13.058 0.408 -3.779
229 HD1 TRP 29 HD1 TRP 29 -13.050 -1.088 -5.107
230 HE1 TRP 29 HE1 TRP 29 -13.077 -3.556 -5.844
231 HE3 TRP 29 HE3 TRP 29 -16.341 -2.932 -1.657
232 HZ2 TRP 29 HZ2 TRP 29 -14.328 -5.965 -5.064
233 HZ3 TRP 29 HZ3 TRP 29 -16.902 -5.329 -1.722
234 HH2 TRP 29 HH2 TRP 29 -15.916 -6.812 -3.392
235 HB2 TRP 29 2HB TRP 29 -14.447 -0.645 -1.816
236 HB3 TRP 29 1HB TRP 29 -15.806 -0.327 -2.885
237 H LYS 30 HN LYS 30 -13.127 2.016 -5.284
238 HA LYS 30 HA LYS 30 -14.891 3.665 -6.329
239 HB2 LYS 30 2HB LYS 30 -12.792 2.928 -7.464
240 HB3 LYS 30 1HB LYS 30 -13.671 1.554 -8.109
241 HG2 LYS 30 2HG LYS 30 -15.126 3.016 -9.355
242 HG3 LYS 30 1HG LYS 30 -14.364 4.435 -8.633
243 HD2 LYS 30 2HD LYS 30 -12.222 3.777 -9.664
244 HD3 LYS 30 1HD LYS 30 -13.032 2.408 -10.429
245 HE2 LYS 30 2HE LYS 30 -13.684 5.321 -10.865
246 HE3 LYS 30 1HE LYS 30 -12.790 4.284 -11.977
247 HZ1 LYS 30 3HZ LYS 30 -15.104 4.500 -12.630
248 HZ2 LYS 30 1HZ LYS 30 -15.611 3.885 -11.137
249 HZ3 LYS 30 2HZ LYS 30 -14.753 2.899 -12.210
250 H ASP 31 HN ASP 31 -15.363 0.177 -6.550
251 HA ASP 31 HA ASP 31 -18.049 0.646 -7.668
252 HB2 ASP 31 2HB ASP 31 -16.323 -1.841 -7.760
253 HB3 ASP 31 1HB ASP 31 -17.964 -1.731 -8.393
254 H GLY 32 HN GLY 32 -18.021 1.202 -5.116
255 HA2 GLY 32 2HA GLY 32 -19.443 -1.032 -3.888
256 HA3 GLY 32 1HA GLY 32 -18.022 -0.432 -3.038
257 H GLY 33 HN GLY 33 -19.562 -0.020 -1.307
258 HA2 GLY 33 2HA GLY 33 -20.970 2.546 -1.716
259 HA3 GLY 33 1HA GLY 33 -21.590 1.277 -0.669
260 H ASP 34 HN ASP 34 -19.127 0.558 0.550
261 HA ASP 34 HA ASP 34 -18.605 2.976 2.148
262 HB2 ASP 34 2HB ASP 34 -18.509 0.071 2.995
263 HB3 ASP 34 1HB ASP 34 -18.119 1.443 4.028
264 H CYS 35 HN CYS 35 -16.415 2.642 3.420
265 HA CYS 35 HA CYS 35 -14.388 1.654 1.522
266 HG CYS 35 HG CYS 35 -15.072 5.731 3.262
267 HB2 CYS 35 2HB CYS 35 -12.956 3.564 2.150
268 HB3 CYS 35 1HB CYS 35 -14.459 4.089 1.400
269 H GLU 36 HN GLU 36 -12.888 0.330 2.368
270 HA GLU 36 HA GLU 36 -12.725 0.151 5.299
271 HB2 GLU 36 2HB GLU 36 -12.618 -1.962 3.172
272 HB3 GLU 36 1HB GLU 36 -11.916 -2.227 4.760
273 HG2 GLU 36 2HG GLU 36 -14.793 -1.565 4.176
274 HG3 GLU 36 1HG GLU 36 -14.158 -3.144 4.635
275 H TRP 37 HN TRP 37 -10.656 -0.751 6.100
276 HA TRP 37 HA TRP 37 -8.434 0.661 4.890
277 HD1 TRP 37 HD1 TRP 37 -8.506 2.675 6.092
278 HE1 TRP 37 HE1 TRP 37 -9.578 4.223 7.848
279 HE3 TRP 37 HE3 TRP 37 -9.380 -0.763 9.764
280 HZ2 TRP 37 HZ2 TRP 37 -10.652 4.008 10.453
281 HZ3 TRP 37 HZ3 TRP 37 -10.431 -0.014 11.859
282 HH2 TRP 37 HH2 TRP 37 -11.052 2.322 12.195
283 HB2 TRP 37 2HB TRP 37 -8.630 -0.939 7.452
284 HB3 TRP 37 1HB TRP 37 -7.212 -0.032 6.942
285 H VAL 38 HN VAL 38 -6.646 -0.240 3.994
286 HA VAL 38 HA VAL 38 -6.811 -3.057 3.290
287 HB VAL 38 HB VAL 38 -4.770 -0.972 2.508
288 HG11 VAL 38 1HG1 VAL 38 -4.155 -2.630 0.751
289 HG12 VAL 38 2HG1 VAL 38 -5.149 -3.814 1.589
290 HG13 VAL 38 3HG1 VAL 38 -3.736 -3.122 2.384
291 HG21 VAL 38 3HG2 VAL 38 -6.639 -2.143 0.550
292 HG22 VAL 38 1HG2 VAL 38 -5.997 -0.506 0.664
293 HG23 VAL 38 2HG2 VAL 38 -7.319 -1.013 1.717
294 H LYS 39 HN LYS 39 -4.915 -4.474 3.517
295 HA LYS 39 HA LYS 39 -3.954 -4.367 6.196
296 HB2 LYS 39 2HB LYS 39 -4.622 -6.490 5.234
297 HB3 LYS 39 1HB LYS 39 -3.394 -6.333 3.985
298 HG2 LYS 39 2HG LYS 39 -1.642 -6.499 5.651
299 HG3 LYS 39 1HG LYS 39 -2.850 -6.578 6.936
300 HD2 LYS 39 2HD LYS 39 -2.644 -8.569 4.681
301 HD3 LYS 39 1HD LYS 39 -1.906 -8.794 6.268
302 HE2 LYS 39 2HE LYS 39 -4.120 -8.628 7.310
303 HE3 LYS 39 1HE LYS 39 -4.850 -8.427 5.716
304 HZ1 LYS 39 3HZ LYS 39 -3.322 -10.815 6.603
305 HZ2 LYS 39 1HZ LYS 39 -4.094 -10.623 5.110
306 HZ3 LYS 39 2HZ LYS 39 -5.008 -10.712 6.530
307 H GLY 40 HN GLY 40 -2.430 -3.051 6.747
308 HA2 GLY 40 2HA GLY 40 -0.181 -2.516 4.999
309 HA3 GLY 40 1HA GLY 40 -0.508 -1.738 6.538
310 H VAL 41 HN VAL 41 -0.218 -5.172 5.743
311 HA VAL 41 HA VAL 41 2.084 -5.343 7.578
312 HB VAL 41 HB VAL 41 0.361 -7.702 6.924
313 HG11 VAL 41 1HG1 VAL 41 2.060 -6.975 9.304
314 HG12 VAL 41 2HG1 VAL 41 2.480 -8.111 8.021
315 HG13 VAL 41 3HG1 VAL 41 1.147 -8.473 9.118
316 HG21 VAL 41 3HG2 VAL 41 -1.018 -7.273 8.890
317 HG22 VAL 41 1HG2 VAL 41 -1.179 -5.964 7.719
318 HG23 VAL 41 2HG2 VAL 41 -0.182 -5.743 9.157
319 H HIS 42 HN HIS 42 1.166 -5.485 4.393
320 HA HIS 42 HA HIS 42 2.594 -7.705 3.447
321 HD1 HIS 42 HD1 HIS 42 -0.740 -6.495 0.917
322 HD2 HIS 42 HD2 HIS 42 2.399 -9.135 1.583
323 HE1 HIS 42 HE1 HIS 42 -1.512 -8.703 -0.006
324 HE2 HIS 42 HE2 HIS 42 0.375 -10.302 0.474
325 HB2 HIS 42 2HB HIS 42 1.044 -5.515 2.364
326 HB3 HIS 42 1HB HIS 42 2.474 -5.838 1.373
327 H VAL 43 HN VAL 43 4.392 -7.538 4.687
328 HA VAL 43 HA VAL 43 6.271 -5.520 4.729
329 HB VAL 43 HB VAL 43 6.370 -7.324 6.289
330 HG11 VAL 43 1HG1 VAL 43 7.031 -9.574 5.680
331 HG12 VAL 43 2HG1 VAL 43 7.147 -9.105 3.985
332 HG13 VAL 43 3HG1 VAL 43 5.581 -9.102 4.796
333 HG21 VAL 43 3HG2 VAL 43 8.528 -6.864 6.530
334 HG22 VAL 43 1HG2 VAL 43 8.634 -6.391 4.833
335 HG23 VAL 43 2HG2 VAL 43 8.911 -8.068 5.301
336 H ALA 44 HN ALA 44 6.076 -4.852 2.469
337 HA ALA 44 HA ALA 44 7.826 -6.268 0.643
338 HB1 ALA 44 3HB ALA 44 6.753 -5.218 -1.031
339 HB2 ALA 44 1HB ALA 44 6.747 -3.670 -0.182
340 HB3 ALA 44 2HB ALA 44 5.542 -4.895 0.206
341 H GLU 45 HN GLU 45 9.209 -5.543 2.753
342 HA GLU 45 HA GLU 45 10.320 -3.075 3.085
343 HB2 GLU 45 2HB GLU 45 10.898 -4.947 4.513
344 HB3 GLU 45 1HB GLU 45 11.718 -5.751 3.182
345 HG2 GLU 45 2HG GLU 45 13.371 -3.948 3.117
346 HG3 GLU 45 1HG GLU 45 12.553 -3.159 4.465
347 H ASP 46 HN ASP 46 10.776 -5.232 0.435
348 HA ASP 46 HA ASP 46 13.162 -4.051 -0.609
349 HB2 ASP 46 2HB ASP 46 12.475 -6.322 -1.234
350 HB3 ASP 46 1HB ASP 46 11.026 -5.681 -2.000
351 H VAL 47 HN VAL 47 9.709 -3.694 -1.336
352 HA VAL 47 HA VAL 47 9.919 -1.862 -3.417
353 HB VAL 47 HB VAL 47 7.764 -1.912 -1.317
354 HG11 VAL 47 1HG1 VAL 47 7.160 -1.357 -4.148
355 HG12 VAL 47 2HG1 VAL 47 8.095 -0.121 -3.308
356 HG13 VAL 47 3HG1 VAL 47 6.517 -0.607 -2.685
357 HG21 VAL 47 3HG2 VAL 47 8.175 -3.631 -3.744
358 HG22 VAL 47 1HG2 VAL 47 6.605 -3.435 -2.963
359 HG23 VAL 47 2HG2 VAL 47 7.953 -4.134 -2.069
360 H ALA 48 HN ALA 48 10.060 -1.465 0.002
361 HA ALA 48 HA ALA 48 10.070 1.394 0.136
362 HB1 ALA 48 3HB ALA 48 9.208 -0.050 1.954
363 HB2 ALA 48 1HB ALA 48 10.445 1.088 2.484
364 HB3 ALA 48 2HB ALA 48 10.855 -0.609 2.239
365 H LYS 49 HN LYS 49 12.468 -1.095 0.998
366 HA LYS 49 HA LYS 49 14.649 0.606 1.262
367 HB2 LYS 49 2HB LYS 49 14.715 -1.729 1.990
368 HB3 LYS 49 1HB LYS 49 14.605 -2.272 0.321
369 HG2 LYS 49 2HG LYS 49 16.772 -1.293 -0.165
370 HG3 LYS 49 1HG LYS 49 16.879 -0.678 1.485
371 HD2 LYS 49 2HD LYS 49 18.179 -2.729 1.227
372 HD3 LYS 49 1HD LYS 49 16.833 -2.971 2.343
373 HE2 LYS 49 2HE LYS 49 17.054 -4.866 0.832
374 HE3 LYS 49 1HE LYS 49 15.537 -4.014 0.548
375 HZ1 LYS 49 3HZ LYS 49 18.009 -3.705 -1.072
376 HZ2 LYS 49 1HZ LYS 49 16.534 -2.925 -1.355
377 HZ3 LYS 49 2HZ LYS 49 16.649 -4.604 -1.523
378 H ASP 50 HN ASP 50 13.113 -0.741 -1.554
379 HA ASP 50 HA ASP 50 15.197 0.323 -3.277
380 HB2 ASP 50 2HB ASP 50 14.381 -0.999 -4.983
381 HB3 ASP 50 1HB ASP 50 14.040 -1.969 -3.557
382 H TYR 51 HN TYR 51 12.069 1.163 -2.091
383 HA TYR 51 HA TYR 51 11.281 2.878 -4.161
384 HD1 TYR 51 HD1 TYR 51 9.637 3.607 -4.835
385 HD2 TYR 51 HD2 TYR 51 8.096 1.822 -1.294
386 HE1 TYR 51 HE1 TYR 51 7.536 3.103 -6.009
387 HE2 TYR 51 HE2 TYR 51 5.989 1.321 -2.456
388 HH TYR 51 HH TYR 51 4.716 2.172 -4.416
389 HB2 TYR 51 2HB TYR 51 10.422 2.364 -1.461
390 HB3 TYR 51 1HB TYR 51 10.258 4.048 -1.871
391 H GLU 52 HN GLU 52 12.417 3.586 -0.940
392 HA GLU 52 HA GLU 52 13.206 6.250 -1.624
393 HB2 GLU 52 2HB GLU 52 13.634 4.787 0.976
394 HB3 GLU 52 1HB GLU 52 13.731 6.522 0.719
395 HG2 GLU 52 2HG GLU 52 11.345 6.569 0.195
396 HG3 GLU 52 1HG GLU 52 11.253 4.833 0.480
397 H ASP 53 HN ASP 53 14.908 3.661 0.063
398 HA ASP 53 HA ASP 53 17.487 4.631 -0.288
399 HB2 ASP 53 2HB ASP 53 16.207 2.160 0.597
400 HB3 ASP 53 1HB ASP 53 17.789 1.889 -0.139
401 H GLY 54 HN GLY 54 15.624 2.351 -2.276
402 HA2 GLY 54 2HA GLY 54 17.599 1.551 -4.043
403 HA3 GLY 54 1HA GLY 54 15.903 1.712 -4.469
404 H LEU 55 HN LEU 55 15.669 4.508 -4.086
405 HA LEU 55 HA LEU 55 16.897 5.411 -6.548
406 HG LEU 55 HG LEU 55 16.257 8.463 -5.892
407 HB2 LEU 55 2HB LEU 55 14.573 5.966 -6.147
408 HB3 LEU 55 1HB LEU 55 14.986 6.750 -4.634
409 HD11 LEU 55 1HD1 LEU 55 15.096 7.115 -8.326
410 HD12 LEU 55 2HD1 LEU 55 16.795 7.096 -7.855
411 HD13 LEU 55 3HD1 LEU 55 16.021 8.616 -8.302
412 HD21 LEU 55 3HD2 LEU 55 13.921 8.837 -5.250
413 HD22 LEU 55 1HD2 LEU 55 13.393 8.138 -6.780
414 HD23 LEU 55 2HD2 LEU 55 14.319 9.639 -6.768
415 H GLU 56 HN GLU 56 16.705 6.708 -3.228
416 HA GLU 56 HA GLU 56 19.091 8.295 -3.705
417 HB2 GLU 56 2HB GLU 56 17.307 8.110 -1.287
418 HB3 GLU 56 1HB GLU 56 18.643 9.234 -1.468
419 HG2 GLU 56 2HG GLU 56 17.512 10.272 -3.366
420 HG3 GLU 56 1HG GLU 56 16.169 9.144 -3.181
421 H TYR 57 HN TYR 57 20.050 5.967 -3.966
422 HA TYR 57 HA TYR 57 20.773 4.686 -1.480
423 HD1 TYR 57 HD1 TYR 57 20.932 1.697 -1.712
424 HD2 TYR 57 HD2 TYR 57 23.987 3.696 -3.898
425 HE1 TYR 57 HE1 TYR 57 22.574 0.053 -0.909
426 HE2 TYR 57 HE2 TYR 57 25.638 2.055 -3.101
427 HH TYR 57 HH TYR 57 24.765 -0.850 -1.600
428 HB2 TYR 57 2HB TYR 57 20.383 3.315 -3.457
429 HB3 TYR 57 1HB TYR 57 21.654 4.168 -4.327
430 HA ALA 1 HA ALA 1 -11.069 -7.505 6.079
431 H1 ALA 1 1H ALA 1 -8.591 -5.936 5.658
432 H2 ALA 1 2H ALA 1 -8.682 -7.610 5.890
433 H3 ALA 1 3H ALA 1 -9.125 -6.557 7.139
434 HB1 ALA 1 3HB ALA 1 -10.709 -4.562 5.527
435 HB2 ALA 1 1HB ALA 1 -11.205 -5.275 7.063
436 HB3 ALA 1 2HB ALA 1 -12.249 -5.414 5.648
437 HA PRO 2 HA PRO 2 -9.365 -8.078 1.715
438 HB2 PRO 2 1HB PRO 2 -9.398 -10.329 1.665
439 HB3 PRO 2 2HB PRO 2 -11.160 -10.306 1.631
440 HG2 PRO 2 2HG PRO 2 -11.324 -10.708 3.865
441 HG3 PRO 2 1HG PRO 2 -9.648 -11.260 3.727
442 HD2 PRO 2 2HD PRO 2 -10.375 -9.259 5.385
443 HD3 PRO 2 1HD PRO 2 -8.795 -9.289 4.573
444 HA PRO 3 HA PRO 3 -13.985 -8.024 0.237
445 HB2 PRO 3 1HB PRO 3 -15.396 -9.302 1.498
446 HB3 PRO 3 2HB PRO 3 -15.867 -7.761 2.222
447 HG2 PRO 3 2HG PRO 3 -14.502 -8.061 4.066
448 HG3 PRO 3 1HG PRO 3 -14.899 -9.753 3.717
449 HD2 PRO 3 2HD PRO 3 -12.359 -8.901 3.883
450 HD3 PRO 3 1HD PRO 3 -12.845 -10.166 2.737
451 H GLY 4 HN GLY 4 -13.198 -5.976 -0.384
452 HA2 GLY 4 2HA GLY 4 -14.442 -3.755 -0.327
453 HA3 GLY 4 1HA GLY 4 -13.985 -3.737 1.371
454 H THR 5 HN THR 5 -11.377 -4.713 1.160
455 HA THR 5 HA THR 5 -10.030 -2.349 0.154
456 HB THR 5 HB THR 5 -8.118 -3.085 1.372
457 HG1 THR 5 HG1 THR 5 -8.947 -3.655 1.810
458 1HG2 THR 5 1HG2 THR 5 -6.508 -5.970 0.440
459 2HG2 THR 5 2HG2 THR 5 -8.167 -5.604 -0.034
460 3HG2 THR 5 3HG2 THR 5 -7.822 -7.036 0.935
461 H ALA 6 HN ALA 6 -7.790 -2.766 -0.865
462 HA ALA 6 HA ALA 6 -7.815 -5.042 -2.702
463 HB1 ALA 6 3HB ALA 6 -8.929 -3.212 -3.885
464 HB2 ALA 6 1HB ALA 6 -7.388 -3.628 -4.636
465 HB3 ALA 6 2HB ALA 6 -7.518 -2.188 -3.628
466 H ARG 7 HN ARG 7 -6.137 -5.174 -0.710
467 HA ARG 7 HA ARG 7 -3.724 -3.858 -0.669
468 HE ARG 7 HE ARG 7 -5.067 -9.671 -0.356
469 HB2 ARG 7 2HB ARG 7 -2.770 -5.940 0.259
470 HB3 ARG 7 1HB ARG 7 -4.315 -5.525 0.988
471 HG2 ARG 7 2HG ARG 7 -5.421 -7.153 -0.491
472 HG3 ARG 7 1HG ARG 7 -3.842 -7.604 -1.138
473 HD2 ARG 7 2HD ARG 7 -3.131 -8.284 1.110
474 HD3 ARG 7 1HD ARG 7 -4.721 -7.851 1.738
475 HH11 ARG 7 1HH1 ARG 7 -3.754 -9.560 2.868
476 HH12 ARG 7 2HH1 ARG 7 -4.079 -11.230 3.196
477 HH21 ARG 7 2HH2 ARG 7 -5.069 -12.543 1.600
478 HH22 ARG 7 1HH2 ARG 7 -5.498 -11.867 0.065
479 H ARG 8 HN ARG 8 -1.992 -3.679 -2.038
480 HA ARG 8 HA ARG 8 -2.050 -4.565 -4.648
481 HE ARG 8 HE ARG 8 1.374 -3.904 -7.541
482 HB2 ARG 8 2HB ARG 8 -0.504 -2.838 -3.675
483 HB3 ARG 8 1HB ARG 8 0.455 -4.155 -3.025
484 HG2 ARG 8 2HG ARG 8 1.387 -3.246 -5.099
485 HG3 ARG 8 1HG ARG 8 0.958 -4.950 -5.243
486 HD2 ARG 8 2HD ARG 8 -1.135 -4.327 -6.351
487 HD3 ARG 8 1HD ARG 8 -0.705 -2.623 -6.202
488 HH11 ARG 8 1HH1 ARG 8 -1.991 -3.151 -8.031
489 HH12 ARG 8 2HH1 ARG 8 -1.858 -3.082 -9.757
490 HH21 ARG 8 2HH2 ARG 8 0.160 -3.462 -10.771
491 HH22 ARG 8 1HH2 ARG 8 1.560 -3.818 -9.815
492 H LYS 9 HN LYS 9 -0.497 -6.142 -5.676
493 HA LYS 9 HA LYS 9 -0.071 -8.501 -3.985
494 1HB LYS 9 2HB LYS 9 -1.091 -10.014 -5.516
495 2HB LYS 9 1HB LYS 9 -2.247 -8.744 -5.151
496 1HG LYS 9 1HG LYS 9 -0.553 -8.480 -7.591
497 2HG LYS 9 2HG LYS 9 -2.186 -7.887 -7.278
498 1HD LYS 9 2HD LYS 9 -0.220 -4.318 -13.205
499 2HD LYS 9 1HD LYS 9 0.252 -3.301 -11.843
500 1HE LYS 9 2HE LYS 9 1.640 -5.281 -11.907
501 2HE LYS 9 1HE LYS 9 0.601 -5.325 -10.484
502 1HZ LYS 9 1HZ LYS 9 -0.496 -8.626 -9.613
503 2HZ LYS 9 2HZ LYS 9 -1.112 -9.324 -11.027
504 3HZ LYS 9 3HZ LYS 9 -0.336 -10.291 -9.876
505 H ARG 10 HN ARG 10 2.000 -6.862 -4.733
506 HA ARG 10 HA ARG 10 3.292 -8.240 -6.975
507 HE ARG 10 HE ARG 10 3.205 -3.613 -6.001
508 HB2 ARG 10 2HB ARG 10 4.797 -6.432 -7.130
509 HB3 ARG 10 1HB ARG 10 3.236 -5.690 -6.809
510 HG2 ARG 10 2HG ARG 10 3.841 -5.435 -4.456
511 HG3 ARG 10 1HG ARG 10 5.408 -6.182 -4.778
512 HD2 ARG 10 2HD ARG 10 5.661 -3.783 -4.733
513 HD3 ARG 10 1HD ARG 10 5.901 -4.365 -6.380
514 HH11 ARG 10 1HH1 ARG 10 6.391 -2.259 -6.373
515 HH12 ARG 10 2HH1 ARG 10 5.821 -0.770 -7.050
516 HH21 ARG 10 2HH2 ARG 10 3.576 -0.427 -7.344
517 HH22 ARG 10 1HH2 ARG 10 2.442 -1.655 -6.891
518 H LYS 11 HN LYS 11 3.599 -7.575 -3.546
519 HA LYS 11 HA LYS 11 4.959 -8.405 -1.916
520 HB2 LYS 11 2HB LYS 11 4.838 -10.860 -3.674
521 HB3 LYS 11 1HB LYS 11 5.336 -10.830 -1.990
522 HG2 LYS 11 2HG LYS 11 2.623 -9.887 -2.838
523 HG3 LYS 11 1HG LYS 11 2.962 -11.588 -2.519
524 HD2 LYS 11 2HD LYS 11 3.432 -9.340 -0.562
525 HD3 LYS 11 1HD LYS 11 2.024 -10.403 -0.561
526 HE2 LYS 11 2HE LYS 11 4.900 -11.204 -0.142
527 HE3 LYS 11 1HE LYS 11 3.625 -11.172 1.073
528 HZ1 LYS 11 3HZ LYS 11 3.710 -12.937 -1.314
529 HZ2 LYS 11 1HZ LYS 11 2.457 -12.892 -0.177
530 HZ3 LYS 11 2HZ LYS 11 4.000 -13.410 0.283
531 H ALA 12 HN ALA 12 6.735 -7.025 -2.378
532 HA ALA 12 HA ALA 12 8.838 -8.044 -4.098
533 HB1 ALA 12 3HB ALA 12 8.112 -5.572 -3.825
534 HB2 ALA 12 1HB ALA 12 9.827 -5.958 -3.959
535 HB3 ALA 12 2HB ALA 12 9.123 -5.617 -2.381
536 H ASP 13 HN ASP 13 8.035 -7.828 -0.730
537 HA ASP 13 HA ASP 13 10.476 -9.317 -0.076
538 HB2 ASP 13 2HB ASP 13 10.974 -7.081 0.623
539 HB3 ASP 13 1HB ASP 13 9.409 -6.903 1.412
540 H SER 14 HN SER 14 10.321 -10.521 1.949
541 HA SER 14 HA SER 14 7.868 -10.837 3.320
542 HG SER 14 HG SER 14 7.695 -14.081 2.946
543 HB2 SER 14 2HB SER 14 7.139 -11.914 1.256
544 HB3 SER 14 1HB SER 14 8.545 -12.979 1.290
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 11.583 7.498 -3.671
2 H2 GLY 1 2H GLY 1 12.039 8.812 -4.633
3 H3 GLY 1 3H GLY 1 11.927 8.993 -2.956
4 HA2 GLY 1 1HA GLY 1 13.910 7.372 -4.452
5 HA3 GLY 1 2HA GLY 1 14.227 8.838 -3.536
6 H SER 2 HN SER 2 12.165 7.724 -1.514
7 HA SER 2 HA SER 2 13.596 5.476 -0.383
8 HG SER 2 HG SER 2 13.317 8.948 0.248
9 HB2 SER 2 2HB SER 2 13.973 6.657 1.789
10 HB3 SER 2 1HB SER 2 14.942 7.304 0.467
11 H GLN 3 HN GLN 3 11.289 8.042 0.498
12 HA GLN 3 HA GLN 3 9.554 6.016 1.702
13 HB2 GLN 3 2HB GLN 3 9.767 8.973 1.992
14 HB3 GLN 3 1HB GLN 3 8.295 8.148 2.466
15 HG2 GLN 3 2HG GLN 3 9.771 8.511 4.365
16 HG3 GLN 3 1HG GLN 3 9.545 6.793 4.045
17 HE21 GLN 3 2HE2 GLN 3 12.892 6.147 3.317
18 HE22 GLN 3 1HE2 GLN 3 11.262 5.581 3.256
19 H VAL 4 HN VAL 4 7.921 5.243 0.525
20 HA VAL 4 HA VAL 4 6.479 7.037 -1.262
21 HB VAL 4 HB VAL 4 7.674 4.434 -2.218
22 HG11 VAL 4 1HG1 VAL 4 6.727 5.058 -4.405
23 HG12 VAL 4 2HG1 VAL 4 5.920 6.432 -3.647
24 HG13 VAL 4 3HG1 VAL 4 5.482 4.786 -3.186
25 HG21 VAL 4 3HG2 VAL 4 8.958 5.842 -3.761
26 HG22 VAL 4 1HG2 VAL 4 9.330 6.212 -2.078
27 HG23 VAL 4 2HG2 VAL 4 8.280 7.283 -3.005
28 H PHE 5 HN PHE 5 6.706 3.620 -0.280
29 HA PHE 5 HA PHE 5 5.115 2.118 0.372
30 HD1 PHE 5 HD1 PHE 5 3.289 6.248 1.704
31 HD2 PHE 5 HD2 PHE 5 6.175 3.272 2.662
32 HE1 PHE 5 HE1 PHE 5 4.527 7.889 3.058
33 HE2 PHE 5 HE2 PHE 5 7.416 4.905 4.018
34 HZ PHE 5 HZ PHE 5 6.592 7.218 4.218
35 HB2 PHE 5 2HB PHE 5 3.006 4.133 0.892
36 HB3 PHE 5 1HB PHE 5 3.601 2.838 1.910
37 H GLU 6 HN GLU 6 2.271 2.183 0.005
38 HA GLU 6 HA GLU 6 1.856 2.850 -2.788
39 HB2 GLU 6 2HB GLU 6 2.866 0.709 -3.078
40 HB3 GLU 6 1HB GLU 6 1.901 0.006 -1.790
41 HG2 GLU 6 2HG GLU 6 0.406 1.153 -4.055
42 HG3 GLU 6 1HG GLU 6 1.355 -0.295 -4.391
43 H TYR 7 HN TYR 7 -0.270 3.212 -3.300
44 HA TYR 7 HA TYR 7 -2.146 3.038 -1.111
45 HD1 TYR 7 HD1 TYR 7 -4.134 3.564 -4.794
46 HD2 TYR 7 HD2 TYR 7 -0.472 5.576 -3.994
47 HE1 TYR 7 HE1 TYR 7 -3.809 3.916 -7.205
48 HE2 TYR 7 HE2 TYR 7 -0.133 5.928 -6.404
49 HH TYR 7 HH TYR 7 -2.601 5.398 -8.701
50 HB2 TYR 7 2HB TYR 7 -3.602 4.407 -2.563
51 HB3 TYR 7 1HB TYR 7 -2.059 5.163 -2.224
52 H ALA 8 HN ALA 8 -3.084 1.158 -0.860
53 HA ALA 8 HA ALA 8 -3.781 -0.472 -3.168
54 HB1 ALA 8 3HB ALA 8 -4.483 -2.127 -1.460
55 HB2 ALA 8 1HB ALA 8 -4.092 -0.956 -0.201
56 HB3 ALA 8 2HB ALA 8 -2.817 -1.592 -1.240
57 H GLU 9 HN GLU 9 -5.159 1.572 -3.641
58 HA GLU 9 HA GLU 9 -7.813 1.280 -2.458
59 HB2 GLU 9 2HB GLU 9 -7.494 3.388 -1.876
60 HB3 GLU 9 1HB GLU 9 -6.083 3.536 -2.902
61 HG2 GLU 9 2HG GLU 9 -8.896 3.773 -3.874
62 HG3 GLU 9 1HG GLU 9 -7.915 5.135 -3.357
63 H VAL 10 HN VAL 10 -9.589 1.467 -3.590
64 HA VAL 10 HA VAL 10 -9.327 0.547 -6.283
65 HB VAL 10 HB VAL 10 -11.757 0.842 -4.571
66 HG11 VAL 10 1HG1 VAL 10 -11.626 -0.888 -6.998
67 HG12 VAL 10 2HG1 VAL 10 -11.903 0.840 -7.191
68 HG13 VAL 10 3HG1 VAL 10 -13.026 -0.128 -6.240
69 HG21 VAL 10 3HG2 VAL 10 -11.491 -1.299 -3.866
70 HG22 VAL 10 1HG2 VAL 10 -9.796 -0.894 -4.131
71 HG23 VAL 10 2HG2 VAL 10 -10.686 -1.801 -5.354
72 H ASP 11 HN ASP 11 -10.584 3.214 -4.452
73 HA ASP 11 HA ASP 11 -10.454 4.920 -6.815
74 1HB ASP 11 2HB ASP 11 -12.767 4.366 -6.792
75 2HB ASP 11 1HB ASP 11 -12.899 4.635 -5.066
76 H GLU 12 HN GLU 12 -10.520 4.626 -3.296
77 HA GLU 12 HA GLU 12 -8.970 7.056 -3.085
78 HB2 GLU 12 2HB GLU 12 -11.726 6.849 -1.883
79 HB3 GLU 12 1HB GLU 12 -10.518 7.985 -1.297
80 HG2 GLU 12 2HG GLU 12 -10.400 8.978 -3.549
81 HG3 GLU 12 1HG GLU 12 -11.680 7.883 -4.071
82 H ILE 13 HN ILE 13 -8.082 7.413 -0.947
83 HA ILE 13 HA ILE 13 -8.155 5.047 0.808
84 HB ILE 13 HB ILE 13 -5.781 5.104 1.210
85 HG12 ILE 13 2HG1 ILE 13 -5.570 7.609 1.172
86 HG13 ILE 13 1HG1 ILE 13 -4.296 6.794 0.266
87 HG21 ILE 13 1HG2 ILE 13 -4.917 5.156 -1.288
88 HG22 ILE 13 2HG2 ILE 13 -6.643 5.195 -1.627
89 HG23 ILE 13 3HG2 ILE 13 -5.955 3.863 -0.699
90 HD11 ILE 13 3HD1 ILE 13 -6.068 7.165 -1.704
91 HD12 ILE 13 1HD1 ILE 13 -4.823 8.345 -1.279
92 HD13 ILE 13 2HD1 ILE 13 -6.468 8.541 -0.675
93 H VAL 14 HN VAL 14 -6.546 6.004 2.834
94 HA VAL 14 HA VAL 14 -7.434 8.658 3.601
95 HB VAL 14 HB VAL 14 -8.188 6.230 5.239
96 HG11 VAL 14 1HG1 VAL 14 -8.579 9.164 5.824
97 HG12 VAL 14 2HG1 VAL 14 -7.473 8.075 6.660
98 HG13 VAL 14 3HG1 VAL 14 -9.214 7.829 6.786
99 HG21 VAL 14 3HG2 VAL 14 -9.673 6.592 3.336
100 HG22 VAL 14 1HG2 VAL 14 -9.913 8.267 3.832
101 HG23 VAL 14 2HG2 VAL 14 -10.493 6.952 4.856
102 H GLU 15 HN GLU 15 -6.131 5.692 5.040
103 HA GLU 15 HA GLU 15 -4.037 7.245 6.358
104 HB2 GLU 15 2HB GLU 15 -4.822 4.332 6.556
105 HB3 GLU 15 1HB GLU 15 -3.474 5.045 7.431
106 HG2 GLU 15 2HG GLU 15 -6.374 5.807 7.703
107 HG3 GLU 15 1HG GLU 15 -5.428 4.858 8.849
108 H LYS 16 HN LYS 16 -1.850 6.980 5.926
109 HA LYS 16 HA LYS 16 -1.012 5.034 3.936
110 HB2 LYS 16 2HB LYS 16 0.100 6.859 2.568
111 HB3 LYS 16 1HB LYS 16 -1.651 6.765 2.447
112 HG2 LYS 16 2HG LYS 16 -1.865 8.623 4.014
113 HG3 LYS 16 1HG LYS 16 -0.107 8.721 4.134
114 HD2 LYS 16 2HD LYS 16 0.092 9.348 1.842
115 HD3 LYS 16 1HD LYS 16 -1.613 9.001 1.541
116 HE2 LYS 16 2HE LYS 16 -0.561 11.155 3.372
117 HE3 LYS 16 1HE LYS 16 -1.169 11.412 1.737
118 HZ1 LYS 16 3HZ LYS 16 -3.323 10.546 2.465
119 HZ2 LYS 16 1HZ LYS 16 -2.867 11.911 3.355
120 HZ3 LYS 16 2HZ LYS 16 -2.731 10.370 4.039
121 H ARG 17 HN ARG 17 0.457 4.152 5.446
122 HA ARG 17 HA ARG 17 2.855 5.703 5.878
123 HE ARG 17 HE ARG 17 5.300 6.145 9.900
124 HB2 ARG 17 2HB ARG 17 1.213 6.278 7.774
125 HB3 ARG 17 1HB ARG 17 1.513 4.645 8.352
126 HG2 ARG 17 2HG ARG 17 3.617 6.760 7.943
127 HG3 ARG 17 1HG ARG 17 2.902 6.310 9.491
128 HD2 ARG 17 2HD ARG 17 3.728 3.976 9.085
129 HD3 ARG 17 1HD ARG 17 4.600 4.598 7.684
130 HH11 ARG 17 1HH1 ARG 17 5.659 2.886 8.726
131 HH12 ARG 17 2HH1 ARG 17 7.163 2.618 9.544
132 HH21 ARG 17 2HH2 ARG 17 8.086 4.278 10.824
133 HH22 ARG 17 1HH2 ARG 17 7.283 5.805 10.978
134 H GLY 18 HN GLY 18 3.843 3.984 4.664
135 HA2 GLY 18 2HA GLY 18 4.385 1.688 6.359
136 HA3 GLY 18 1HA GLY 18 3.623 1.349 4.835
137 H LYS 19 HN LYS 19 5.074 0.279 3.789
138 HA LYS 19 HA LYS 19 7.813 1.293 3.568
139 HB2 LYS 19 2HB LYS 19 6.565 -1.408 3.410
140 HB3 LYS 19 1HB LYS 19 8.172 -1.128 2.741
141 HG2 LYS 19 2HG LYS 19 9.041 -0.557 4.890
142 HG3 LYS 19 1HG LYS 19 7.423 -0.547 5.598
143 HD2 LYS 19 2HD LYS 19 7.211 -2.941 5.160
144 HD3 LYS 19 1HD LYS 19 8.817 -2.954 4.430
145 HE2 LYS 19 2HE LYS 19 9.801 -2.283 6.560
146 HE3 LYS 19 1HE LYS 19 8.198 -2.222 7.291
147 HZ1 LYS 19 3HZ LYS 19 9.402 -4.284 7.796
148 HZ2 LYS 19 1HZ LYS 19 9.440 -4.664 6.147
149 HZ3 LYS 19 2HZ LYS 19 7.960 -4.576 6.961
150 H GLY 20 HN GLY 20 6.342 -1.003 1.469
151 HA2 GLY 20 2HA GLY 20 6.210 0.901 -0.738
152 HA3 GLY 20 1HA GLY 20 6.981 -0.675 -0.930
153 H LYS 21 HN LYS 21 5.485 -2.245 0.518
154 HA LYS 21 HA LYS 21 2.735 -2.029 -0.468
155 HB2 LYS 21 2HB LYS 21 4.716 -4.173 -0.899
156 HB3 LYS 21 1HB LYS 21 3.106 -4.716 -0.443
157 HG2 LYS 21 2HG LYS 21 3.816 -2.977 -2.797
158 HG3 LYS 21 1HG LYS 21 3.314 -4.664 -2.846
159 HD2 LYS 21 2HD LYS 21 1.666 -2.271 -2.052
160 HD3 LYS 21 1HD LYS 21 1.418 -3.346 -3.428
161 HE2 LYS 21 2HE LYS 21 0.831 -5.166 -1.967
162 HE3 LYS 21 1HE LYS 21 1.242 -4.209 -0.545
163 HZ1 LYS 21 3HZ LYS 21 -0.933 -3.552 -2.455
164 HZ2 LYS 21 1HZ LYS 21 -0.568 -2.722 -1.027
165 HZ3 LYS 21 2HZ LYS 21 -1.157 -4.305 -0.959
166 H ASP 22 HN ASP 22 4.718 -2.287 2.219
167 HA ASP 22 HA ASP 22 2.971 -3.914 3.790
168 HB2 ASP 22 2HB ASP 22 5.424 -4.083 4.078
169 HB3 ASP 22 1HB ASP 22 5.421 -2.422 4.626
170 H VAL 23 HN VAL 23 2.568 -1.043 2.704
171 HA VAL 23 HA VAL 23 1.996 0.420 5.102
172 HB VAL 23 HB VAL 23 2.908 1.491 3.085
173 HG11 VAL 23 1HG1 VAL 23 2.049 0.598 1.191
174 HG12 VAL 23 2HG1 VAL 23 0.926 1.943 1.355
175 HG13 VAL 23 3HG1 VAL 23 0.456 0.338 1.894
176 HG21 VAL 23 3HG2 VAL 23 1.302 2.552 4.844
177 HG22 VAL 23 1HG2 VAL 23 0.200 2.664 3.480
178 HG23 VAL 23 2HG2 VAL 23 1.771 3.460 3.409
179 H GLU 24 HN GLU 24 -0.058 1.340 5.526
180 HA GLU 24 HA GLU 24 -2.261 -0.442 4.745
181 HB2 GLU 24 2HB GLU 24 -3.374 0.419 6.837
182 HB3 GLU 24 1HB GLU 24 -1.951 -0.580 7.095
183 HG2 GLU 24 2HG GLU 24 -0.607 1.388 7.518
184 HG3 GLU 24 1HG GLU 24 -1.988 2.429 7.171
185 H TYR 25 HN TYR 25 -3.424 0.459 3.190
186 HA TYR 25 HA TYR 25 -4.020 3.322 3.325
187 HD1 TYR 25 HD1 TYR 25 -3.736 4.957 0.228
188 HD2 TYR 25 HD2 TYR 25 -1.085 2.224 2.103
189 HE1 TYR 25 HE1 TYR 25 -1.885 6.558 -0.055
190 HE2 TYR 25 HE2 TYR 25 0.770 3.810 1.831
191 HH TYR 25 HH TYR 25 1.403 5.699 0.541
192 HB2 TYR 25 2HB TYR 25 -3.339 1.524 1.059
193 HB3 TYR 25 1HB TYR 25 -4.499 2.813 0.761
194 H LEU 26 HN LEU 26 -6.149 3.961 2.703
195 HA LEU 26 HA LEU 26 -8.132 1.920 3.229
196 HG LEU 26 HG LEU 26 -10.517 2.981 2.855
197 HB2 LEU 26 2HB LEU 26 -8.552 3.980 4.337
198 HB3 LEU 26 1HB LEU 26 -8.263 4.894 2.878
199 HD11 LEU 26 1HD1 LEU 26 -11.768 3.967 4.388
200 HD12 LEU 26 2HD1 LEU 26 -11.399 5.566 3.743
201 HD13 LEU 26 3HD1 LEU 26 -10.320 4.819 4.922
202 HD21 LEU 26 3HD2 LEU 26 -11.509 4.981 1.596
203 HD22 LEU 26 1HD2 LEU 26 -10.245 4.033 0.816
204 HD23 LEU 26 2HD2 LEU 26 -9.854 5.583 1.561
205 H VAL 27 HN VAL 27 -9.939 1.587 1.772
206 HA VAL 27 HA VAL 27 -9.428 2.465 -0.953
207 HB VAL 27 HB VAL 27 -8.514 0.499 -1.427
208 HG11 VAL 27 1HG1 VAL 27 -9.915 -0.846 0.864
209 HG12 VAL 27 2HG1 VAL 27 -8.321 -0.098 0.940
210 HG13 VAL 27 3HG1 VAL 27 -8.588 -1.500 -0.089
211 HG21 VAL 27 3HG2 VAL 27 -10.745 0.322 -2.534
212 HG22 VAL 27 1HG2 VAL 27 -11.256 -0.710 -1.200
213 HG23 VAL 27 2HG2 VAL 27 -9.938 -1.220 -2.250
214 H ARG 28 HN ARG 28 -11.158 3.741 -1.113
215 HA ARG 28 HA ARG 28 -13.790 2.840 -0.365
216 HE ARG 28 HE ARG 28 -17.076 6.347 -0.079
217 HB2 ARG 28 2HB ARG 28 -12.817 5.308 -0.529
218 HB3 ARG 28 1HB ARG 28 -13.338 5.142 -2.200
219 HG2 ARG 28 2HG ARG 28 -15.612 4.736 -1.499
220 HG3 ARG 28 1HG ARG 28 -15.122 4.779 0.196
221 HD2 ARG 28 2HD ARG 28 -14.426 7.111 -0.067
222 HD3 ARG 28 1HD ARG 28 -14.910 7.066 -1.762
223 HH11 ARG 28 1HH1 ARG 28 -15.209 9.084 -1.154
224 HH12 ARG 28 2HH1 ARG 28 -16.497 10.219 -0.921
225 HH21 ARG 28 2HH2 ARG 28 -18.525 9.512 -0.134
226 HH22 ARG 28 1HH2 ARG 28 -18.781 7.838 0.230
227 H TRP 29 HN TRP 29 -13.827 0.935 -1.513
228 HA TRP 29 HA TRP 29 -13.339 0.129 -3.953
229 HD1 TRP 29 HD1 TRP 29 -13.115 -1.530 -4.909
230 HE1 TRP 29 HE1 TRP 29 -13.580 -3.860 -5.890
231 HE3 TRP 29 HE3 TRP 29 -17.580 -2.503 -2.612
232 HZ2 TRP 29 HZ2 TRP 29 -15.574 -5.851 -5.715
233 HZ3 TRP 29 HZ3 TRP 29 -18.701 -4.643 -3.075
234 HH2 TRP 29 HH2 TRP 29 -17.718 -6.282 -4.594
235 HB2 TRP 29 2HB TRP 29 -14.942 -0.791 -2.055
236 HB3 TRP 29 1HB TRP 29 -16.184 -0.248 -3.176
237 H LYS 30 HN LYS 30 -13.128 1.802 -5.390
238 HA LYS 30 HA LYS 30 -14.564 3.734 -6.397
239 HB2 LYS 30 2HB LYS 30 -13.857 3.297 -8.610
240 HB3 LYS 30 1HB LYS 30 -12.644 2.563 -7.575
241 HG2 LYS 30 2HG LYS 30 -13.906 0.377 -7.911
242 HG3 LYS 30 1HG LYS 30 -14.788 1.215 -9.182
243 HD2 LYS 30 2HD LYS 30 -12.802 1.591 -10.437
244 HD3 LYS 30 1HD LYS 30 -11.781 1.054 -9.103
245 HE2 LYS 30 2HE LYS 30 -11.918 -0.679 -10.785
246 HE3 LYS 30 1HE LYS 30 -12.733 -1.207 -9.314
247 HZ1 LYS 30 3HZ LYS 30 -14.026 -1.762 -11.265
248 HZ2 LYS 30 1HZ LYS 30 -14.060 -0.140 -11.747
249 HZ3 LYS 30 2HZ LYS 30 -14.853 -0.619 -10.332
250 H ASP 31 HN ASP 31 -15.687 0.401 -6.729
251 HA ASP 31 HA ASP 31 -18.295 1.449 -7.613
252 HB2 ASP 31 2HB ASP 31 -16.867 -1.089 -8.401
253 HB3 ASP 31 1HB ASP 31 -18.602 -0.889 -8.621
254 H GLY 32 HN GLY 32 -18.093 1.550 -5.054
255 HA2 GLY 32 2HA GLY 32 -19.572 -0.794 -4.072
256 HA3 GLY 32 1HA GLY 32 -18.180 -0.211 -3.166
257 H GLY 33 HN GLY 33 -19.246 0.390 -1.328
258 HA2 GLY 33 2HA GLY 33 -20.837 2.836 -1.559
259 HA3 GLY 33 1HA GLY 33 -21.569 1.468 -0.734
260 H ASP 34 HN ASP 34 -19.523 0.446 0.723
261 HA ASP 34 HA ASP 34 -19.118 2.548 2.703
262 HB2 ASP 34 2HB ASP 34 -18.670 -0.441 2.864
263 HB3 ASP 34 1HB ASP 34 -18.461 0.685 4.202
264 H CYS 35 HN CYS 35 -16.930 2.082 4.016
265 HA CYS 35 HA CYS 35 -14.753 1.938 2.037
266 HG CYS 35 HG CYS 35 -16.257 3.533 5.341
267 HB2 CYS 35 2HB CYS 35 -13.583 3.714 3.287
268 HB3 CYS 35 1HB CYS 35 -15.121 4.272 2.639
269 H GLU 36 HN GLU 36 -12.964 0.808 2.601
270 HA GLU 36 HA GLU 36 -12.764 -0.192 5.357
271 HB2 GLU 36 2HB GLU 36 -13.800 -1.929 3.916
272 HB3 GLU 36 1HB GLU 36 -12.382 -1.881 2.878
273 HG2 GLU 36 2HG GLU 36 -12.241 -3.771 4.351
274 HG3 GLU 36 1HG GLU 36 -10.995 -2.598 4.777
275 H TRP 37 HN TRP 37 -10.603 -0.964 5.923
276 HA TRP 37 HA TRP 37 -8.562 0.630 4.576
277 HD1 TRP 37 HD1 TRP 37 -9.224 2.512 5.413
278 HE1 TRP 37 HE1 TRP 37 -10.068 4.268 7.096
279 HE3 TRP 37 HE3 TRP 37 -8.426 -0.071 9.755
280 HZ2 TRP 37 HZ2 TRP 37 -10.355 4.525 9.891
281 HZ3 TRP 37 HZ3 TRP 37 -9.012 1.004 11.890
282 HH2 TRP 37 HH2 TRP 37 -9.956 3.254 11.955
283 HB2 TRP 37 2HB TRP 37 -8.573 -0.753 7.262
284 HB3 TRP 37 1HB TRP 37 -7.206 0.146 6.615
285 H VAL 38 HN VAL 38 -6.566 -0.224 3.926
286 HA VAL 38 HA VAL 38 -6.682 -3.025 3.165
287 HB VAL 38 HB VAL 38 -4.666 -0.885 2.468
288 HG11 VAL 38 1HG1 VAL 38 -4.840 -3.768 1.584
289 HG12 VAL 38 2HG1 VAL 38 -3.533 -3.011 2.494
290 HG13 VAL 38 3HG1 VAL 38 -3.816 -2.556 0.823
291 HG21 VAL 38 3HG2 VAL 38 -5.829 -1.747 0.148
292 HG22 VAL 38 1HG2 VAL 38 -6.303 -0.304 1.045
293 HG23 VAL 38 2HG2 VAL 38 -7.174 -1.817 1.285
294 H LYS 39 HN LYS 39 -4.810 -4.435 3.503
295 HA LYS 39 HA LYS 39 -3.964 -4.271 6.229
296 HB2 LYS 39 2HB LYS 39 -4.644 -6.407 5.129
297 HB3 LYS 39 1HB LYS 39 -3.182 -6.315 4.155
298 HG2 LYS 39 2HG LYS 39 -2.830 -7.823 5.989
299 HG3 LYS 39 1HG LYS 39 -1.837 -6.384 6.220
300 HD2 LYS 39 2HD LYS 39 -2.846 -6.987 8.320
301 HD3 LYS 39 1HD LYS 39 -3.575 -5.487 7.744
302 HE2 LYS 39 2HE LYS 39 -5.481 -6.779 6.869
303 HE3 LYS 39 1HE LYS 39 -4.755 -8.254 7.508
304 HZ1 LYS 39 3HZ LYS 39 -4.899 -7.278 9.738
305 HZ2 LYS 39 1HZ LYS 39 -6.422 -7.428 9.017
306 HZ3 LYS 39 2HZ LYS 39 -5.669 -5.916 9.096
307 H GLY 40 HN GLY 40 -2.391 -3.022 6.819
308 HA2 GLY 40 2HA GLY 40 -0.159 -2.457 5.065
309 HA3 GLY 40 1HA GLY 40 -0.456 -1.735 6.636
310 H VAL 41 HN VAL 41 -0.330 -5.188 5.933
311 HA VAL 41 HA VAL 41 2.069 -5.375 7.625
312 HB VAL 41 HB VAL 41 0.247 -7.685 7.047
313 HG11 VAL 41 1HG1 VAL 41 2.129 -7.051 9.315
314 HG12 VAL 41 2HG1 VAL 41 2.407 -8.199 8.004
315 HG13 VAL 41 3HG1 VAL 41 1.136 -8.504 9.189
316 HG21 VAL 41 3HG2 VAL 41 -1.035 -7.226 9.036
317 HG22 VAL 41 1HG2 VAL 41 -1.123 -5.828 7.964
318 HG23 VAL 41 2HG2 VAL 41 -0.066 -5.792 9.375
319 H HIS 42 HN HIS 42 1.161 -5.389 4.473
320 HA HIS 42 HA HIS 42 2.451 -7.682 3.455
321 HD1 HIS 42 HD1 HIS 42 1.961 -7.043 -0.496
322 HD2 HIS 42 HD2 HIS 42 -0.355 -8.117 2.782
323 HE1 HIS 42 HE1 HIS 42 0.482 -8.910 -1.300
324 HE2 HIS 42 HE2 HIS 42 -0.865 -9.588 0.718
325 HB2 HIS 42 2HB HIS 42 1.042 -5.382 2.439
326 HB3 HIS 42 1HB HIS 42 2.498 -5.675 1.485
327 H VAL 43 HN VAL 43 4.248 -7.613 4.788
328 HA VAL 43 HA VAL 43 6.194 -5.661 4.853
329 HB VAL 43 HB VAL 43 6.143 -7.456 6.449
330 HG11 VAL 43 1HG1 VAL 43 5.483 -9.192 4.717
331 HG12 VAL 43 2HG1 VAL 43 6.613 -9.707 5.967
332 HG13 VAL 43 3HG1 VAL 43 7.203 -9.326 4.350
333 HG21 VAL 43 3HG2 VAL 43 8.266 -6.307 6.128
334 HG22 VAL 43 1HG2 VAL 43 8.713 -7.457 4.869
335 HG23 VAL 43 2HG2 VAL 43 8.530 -8.001 6.535
336 H ALA 44 HN ALA 44 6.189 -5.002 2.598
337 HA ALA 44 HA ALA 44 7.874 -6.594 0.850
338 HB1 ALA 44 3HB ALA 44 7.498 -4.703 -0.757
339 HB2 ALA 44 1HB ALA 44 6.454 -3.963 0.455
340 HB3 ALA 44 2HB ALA 44 6.026 -5.525 -0.242
341 H GLU 45 HN GLU 45 9.232 -6.103 3.014
342 HA GLU 45 HA GLU 45 10.568 -3.741 3.438
343 HB2 GLU 45 2HB GLU 45 12.262 -5.009 4.564
344 HB3 GLU 45 1HB GLU 45 10.719 -5.798 4.859
345 HG2 GLU 45 2HG GLU 45 12.775 -6.665 2.839
346 HG3 GLU 45 1HG GLU 45 12.498 -7.405 4.415
347 H ASP 46 HN ASP 46 10.905 -5.995 0.853
348 HA ASP 46 HA ASP 46 13.484 -5.239 -0.041
349 HB2 ASP 46 2HB ASP 46 12.275 -7.279 -0.795
350 HB3 ASP 46 1HB ASP 46 11.161 -6.251 -1.690
351 H VAL 47 HN VAL 47 10.228 -4.168 -0.998
352 HA VAL 47 HA VAL 47 10.962 -2.303 -2.932
353 HB VAL 47 HB VAL 47 8.651 -2.107 -0.992
354 HG11 VAL 47 1HG1 VAL 47 7.751 -0.962 -3.243
355 HG12 VAL 47 2HG1 VAL 47 9.458 -0.527 -3.350
356 HG13 VAL 47 3HG1 VAL 47 8.516 -0.064 -1.934
357 HG21 VAL 47 3HG2 VAL 47 7.341 -3.209 -2.727
358 HG22 VAL 47 1HG2 VAL 47 8.686 -4.229 -2.217
359 HG23 VAL 47 2HG2 VAL 47 8.779 -3.345 -3.741
360 H ALA 48 HN ALA 48 10.800 -2.031 0.507
361 HA ALA 48 HA ALA 48 11.340 0.753 0.796
362 HB1 ALA 48 3HB ALA 48 11.514 0.212 3.184
363 HB2 ALA 48 1HB ALA 48 11.369 -1.500 2.788
364 HB3 ALA 48 2HB ALA 48 10.028 -0.403 2.459
365 H LYS 49 HN LYS 49 13.137 -2.173 1.736
366 HA LYS 49 HA LYS 49 15.548 -0.900 2.317
367 HB2 LYS 49 2HB LYS 49 14.954 -3.265 2.904
368 HB3 LYS 49 1HB LYS 49 15.222 -3.701 1.223
369 HG2 LYS 49 2HG LYS 49 17.407 -2.308 2.672
370 HG3 LYS 49 1HG LYS 49 17.091 -4.001 3.054
371 HD2 LYS 49 2HD LYS 49 17.606 -2.915 0.287
372 HD3 LYS 49 1HD LYS 49 18.806 -3.716 1.300
373 HE2 LYS 49 2HE LYS 49 16.293 -4.894 0.134
374 HE3 LYS 49 1HE LYS 49 17.960 -5.336 -0.229
375 HZ1 LYS 49 3HZ LYS 49 16.568 -5.745 2.362
376 HZ2 LYS 49 1HZ LYS 49 18.192 -6.117 2.061
377 HZ3 LYS 49 2HZ LYS 49 16.968 -6.947 1.241
378 H ASP 50 HN ASP 50 14.083 -1.846 -0.673
379 HA ASP 50 HA ASP 50 16.490 -1.270 -2.201
380 HB2 ASP 50 2HB ASP 50 14.871 -3.186 -2.745
381 HB3 ASP 50 1HB ASP 50 13.768 -1.938 -3.322
382 H TYR 51 HN TYR 51 13.503 0.196 -1.200
383 HA TYR 51 HA TYR 51 13.386 2.172 -3.181
384 HD1 TYR 51 HD1 TYR 51 12.125 3.580 -3.923
385 HD2 TYR 51 HD2 TYR 51 9.648 1.482 -1.172
386 HE1 TYR 51 HE1 TYR 51 10.247 3.737 -5.501
387 HE2 TYR 51 HE2 TYR 51 7.765 1.635 -2.740
388 HH TYR 51 HH TYR 51 8.132 2.537 -5.975
389 HB2 TYR 51 2HB TYR 51 11.954 1.649 -0.767
390 HB3 TYR 51 1HB TYR 51 12.248 3.354 -0.942
391 H GLU 52 HN GLU 52 14.050 2.586 0.238
392 HA GLU 52 HA GLU 52 15.480 5.022 -0.224
393 HB2 GLU 52 2HB GLU 52 15.527 5.264 2.164
394 HB3 GLU 52 1HB GLU 52 13.924 4.725 1.684
395 HG2 GLU 52 2HG GLU 52 14.532 2.426 2.310
396 HG3 GLU 52 1HG GLU 52 16.103 3.013 2.854
397 H ASP 53 HN ASP 53 16.229 1.840 1.116
398 HA ASP 53 HA ASP 53 19.016 2.435 1.452
399 HB2 ASP 53 2HB ASP 53 17.194 0.182 1.999
400 HB3 ASP 53 1HB ASP 53 18.873 -0.263 1.685
401 H GLY 54 HN GLY 54 17.045 1.082 -1.066
402 HA2 GLY 54 2HA GLY 54 19.205 -0.232 -2.433
403 HA3 GLY 54 1HA GLY 54 17.597 0.060 -3.071
404 H LEU 55 HN LEU 55 17.276 2.672 -3.193
405 HA LEU 55 HA LEU 55 18.895 3.464 -5.362
406 HG LEU 55 HG LEU 55 15.787 3.398 -4.700
407 HB2 LEU 55 2HB LEU 55 17.096 5.139 -3.609
408 HB3 LEU 55 1HB LEU 55 17.755 5.641 -5.154
409 HD11 LEU 55 1HD1 LEU 55 14.246 4.816 -5.942
410 HD12 LEU 55 2HD1 LEU 55 15.484 6.066 -6.069
411 HD13 LEU 55 3HD1 LEU 55 14.825 5.636 -4.491
412 HD21 LEU 55 3HD2 LEU 55 17.015 4.414 -7.260
413 HD22 LEU 55 1HD2 LEU 55 15.719 3.224 -7.140
414 HD23 LEU 55 2HD2 LEU 55 17.323 2.848 -6.508
415 H GLU 56 HN GLU 56 18.596 5.078 -2.191
416 HA GLU 56 HA GLU 56 21.222 6.258 -2.549
417 HB2 GLU 56 2HB GLU 56 19.352 6.546 -0.212
418 HB3 GLU 56 1HB GLU 56 20.725 7.570 -0.593
419 HG2 GLU 56 2HG GLU 56 18.196 7.310 -2.203
420 HG3 GLU 56 1HG GLU 56 18.641 8.664 -1.165
421 H TYR 57 HN TYR 57 21.812 3.780 -2.497
422 HA TYR 57 HA TYR 57 22.080 2.591 0.085
423 HD1 TYR 57 HD1 TYR 57 21.767 -0.366 -0.184
424 HD2 TYR 57 HD2 TYR 57 25.535 1.095 -1.513
425 HE1 TYR 57 HE1 TYR 57 22.891 -2.209 0.995
426 HE2 TYR 57 HE2 TYR 57 26.669 -0.744 -0.339
427 HH TYR 57 HH TYR 57 26.207 -2.265 1.578
428 HB2 TYR 57 2HB TYR 57 21.926 1.266 -2.001
429 HB3 TYR 57 1HB TYR 57 23.488 1.903 -2.503
430 HA ALA 1 HA ALA 1 -12.726 -11.314 1.825
431 H1 ALA 1 1H ALA 1 -14.420 -12.799 2.670
432 H2 ALA 1 2H ALA 1 -15.299 -11.492 3.281
433 H3 ALA 1 3H ALA 1 -13.773 -11.852 3.913
434 HB1 ALA 1 3HB ALA 1 -14.040 -10.319 0.018
435 HB2 ALA 1 1HB ALA 1 -15.519 -10.605 0.936
436 HB3 ALA 1 2HB ALA 1 -14.559 -11.969 0.363
437 HA PRO 2 HA PRO 2 -12.531 -7.322 3.751
438 HB2 PRO 2 1HB PRO 2 -10.254 -7.600 3.470
439 HB3 PRO 2 2HB PRO 2 -10.513 -6.261 2.345
440 HG2 PRO 2 2HG PRO 2 -10.506 -7.652 0.488
441 HG3 PRO 2 1HG PRO 2 -9.376 -8.535 1.532
442 HD2 PRO 2 2HD PRO 2 -11.671 -9.620 0.482
443 HD3 PRO 2 1HD PRO 2 -10.893 -10.191 1.971
444 HA PRO 3 HA PRO 3 -15.210 -5.166 0.769
445 HB2 PRO 3 1HB PRO 3 -16.810 -4.998 2.402
446 HB3 PRO 3 2HB PRO 3 -16.171 -3.358 2.566
447 HG2 PRO 3 2HG PRO 3 -14.867 -3.910 4.401
448 HG3 PRO 3 1HG PRO 3 -16.227 -5.021 4.650
449 HD2 PRO 3 2HD PRO 3 -13.665 -5.874 4.495
450 HD3 PRO 3 1HD PRO 3 -15.030 -6.850 3.915
451 H GLY 4 HN GLY 4 -12.726 -4.592 0.229
452 HA2 GLY 4 2HA GLY 4 -12.472 -2.143 -0.735
453 HA3 GLY 4 1HA GLY 4 -12.123 -1.827 0.957
454 H THR 5 HN THR 5 -10.961 -3.142 -2.005
455 HA THR 5 HA THR 5 -8.256 -3.122 -1.007
456 HB THR 5 HB THR 5 -7.730 -5.433 -1.749
457 HG1 THR 5 HG1 THR 5 -9.261 -6.704 -2.532
458 HG21 THR 5 3HG2 THR 5 -8.116 -4.955 0.625
459 HG22 THR 5 1HG2 THR 5 -8.671 -6.574 0.200
460 HG23 THR 5 2HG2 THR 5 -9.838 -5.268 0.409
461 H ALA 6 HN ALA 6 -6.663 -3.128 -2.635
462 HA ALA 6 HA ALA 6 -7.530 -3.271 -5.409
463 HB1 ALA 6 3HB ALA 6 -7.983 -0.954 -4.807
464 HB2 ALA 6 1HB ALA 6 -6.671 -1.062 -5.978
465 HB3 ALA 6 2HB ALA 6 -6.314 -0.757 -4.280
466 H ARG 7 HN ARG 7 -4.741 -2.093 -3.502
467 HA ARG 7 HA ARG 7 -2.510 -2.562 -3.617
468 HE ARG 7 HE ARG 7 -2.942 -6.796 -5.664
469 HB2 ARG 7 2HB ARG 7 -3.125 -4.847 -3.134
470 HB3 ARG 7 1HB ARG 7 -3.574 -5.129 -4.809
471 HG2 ARG 7 2HG ARG 7 -0.783 -4.296 -4.234
472 HG3 ARG 7 1HG ARG 7 -1.266 -5.943 -3.831
473 HD2 ARG 7 2HD ARG 7 -1.363 -4.607 -6.531
474 HD3 ARG 7 1HD ARG 7 -0.347 -5.956 -6.037
475 HH11 ARG 7 1HH1 ARG 7 -0.999 -5.670 -8.329
476 HH12 ARG 7 2HH1 ARG 7 -1.850 -6.604 -9.513
477 HH21 ARG 7 2HH2 ARG 7 -3.595 -7.944 -8.882
478 HH22 ARG 7 1HH2 ARG 7 -4.071 -8.028 -7.219
479 H ARG 8 HN ARG 8 -0.984 -1.749 -4.985
480 HA ARG 8 HA ARG 8 -1.471 -2.083 -7.870
481 HE ARG 8 HE ARG 8 0.804 2.746 -5.114
482 HB2 ARG 8 2HB ARG 8 -0.907 0.221 -8.300
483 HB3 ARG 8 1HB ARG 8 -2.231 0.152 -7.144
484 HG2 ARG 8 2HG ARG 8 -0.956 0.939 -5.421
485 HG3 ARG 8 1HG ARG 8 0.550 0.326 -6.108
486 HD2 ARG 8 2HD ARG 8 0.376 2.051 -7.882
487 HD3 ARG 8 1HD ARG 8 -1.039 2.700 -7.059
488 HH11 ARG 8 1HH1 ARG 8 0.876 3.849 -8.418
489 HH12 ARG 8 2HH1 ARG 8 2.020 5.111 -8.108
490 HH21 ARG 8 2HH2 ARG 8 2.835 5.429 -5.991
491 HH22 ARG 8 1HH2 ARG 8 2.309 4.407 -4.694
492 H LYS 9 HN LYS 9 0.362 -3.702 -6.549
493 HA LYS 9 HA LYS 9 2.746 -2.924 -7.944
494 HB2 LYS 9 2HB LYS 9 2.622 -3.027 -4.953
495 HB3 LYS 9 1HB LYS 9 4.108 -3.481 -5.779
496 HG2 LYS 9 2HG LYS 9 4.160 -1.288 -6.873
497 HG3 LYS 9 1HG LYS 9 2.689 -0.834 -6.010
498 HD2 LYS 9 2HD LYS 9 3.782 -0.873 -3.920
499 HD3 LYS 9 1HD LYS 9 5.180 -1.723 -4.582
500 HE2 LYS 9 2HE LYS 9 5.614 0.674 -4.159
501 HE3 LYS 9 1HE LYS 9 5.824 0.219 -5.849
502 HZ1 LYS 9 3HZ LYS 9 3.573 1.088 -6.276
503 HZ2 LYS 9 1HZ LYS 9 4.635 2.281 -5.717
504 HZ3 LYS 9 2HZ LYS 9 3.483 1.618 -4.673
505 H ARG 10 HN ARG 10 4.528 -4.743 -7.401
506 HA ARG 10 HA ARG 10 3.414 -7.184 -8.313
507 HE ARG 10 HE ARG 10 8.360 -5.289 -5.642
508 HB2 ARG 10 2HB ARG 10 5.758 -8.028 -7.867
509 HB3 ARG 10 1HB ARG 10 5.642 -6.644 -8.952
510 HG2 ARG 10 2HG ARG 10 6.663 -5.255 -7.517
511 HG3 ARG 10 1HG ARG 10 5.929 -6.004 -6.099
512 HD2 ARG 10 2HD ARG 10 7.496 -7.868 -6.265
513 HD3 ARG 10 1HD ARG 10 8.202 -7.164 -7.719
514 HH11 ARG 10 1HH1 ARG 10 9.694 -8.369 -6.568
515 HH12 ARG 10 2HH1 ARG 10 11.195 -8.114 -5.742
516 HH21 ARG 10 2HH2 ARG 10 11.560 -6.167 -4.596
517 HH22 ARG 10 1HH2 ARG 10 10.335 -4.943 -4.551
518 H LYS 11 HN LYS 11 4.186 -5.865 -5.213
519 HA LYS 11 HA LYS 11 3.641 -6.538 -3.117
520 1HB LYS 11 1HB LYS 11 2.275 -8.456 -2.694
521 2HB LYS 11 2HB LYS 11 2.651 -9.146 -4.267
522 1HG LYS 11 1HG LYS 11 -2.670 -8.072 -0.324
523 2HG LYS 11 2HG LYS 11 -1.242 -7.862 -1.341
524 1HD LYS 11 2HD LYS 11 -1.328 -6.201 0.460
525 2HD LYS 11 1HD LYS 11 -1.340 -7.503 1.649
526 1HE LYS 11 1HE LYS 11 0.859 -6.969 -0.344
527 2HE LYS 11 2HE LYS 11 0.851 -8.244 0.873
528 1HZ LYS 11 1HZ LYS 11 -1.369 -10.106 -6.213
529 2HZ LYS 11 2HZ LYS 11 -0.839 -11.494 -5.406
530 3HZ LYS 11 3HZ LYS 11 0.125 -10.797 -6.608
531 H ALA 12 HN ALA 12 6.048 -6.520 -3.320
532 HA ALA 12 HA ALA 12 7.779 -8.535 -3.717
533 HB1 ALA 12 3HB ALA 12 8.486 -6.329 -3.019
534 HB2 ALA 12 1HB ALA 12 9.225 -7.555 -1.990
535 HB3 ALA 12 2HB ALA 12 7.857 -6.614 -1.397
536 H ASP 13 HN ASP 13 5.513 -8.359 -1.057
537 HA ASP 13 HA ASP 13 6.660 -10.827 0.060
538 HB2 ASP 13 2HB ASP 13 6.506 -8.950 1.637
539 HB3 ASP 13 1HB ASP 13 4.776 -8.835 1.341
540 H SER 14 HN SER 14 3.819 -9.406 -1.356
541 HA SER 14 HA SER 14 1.765 -10.243 -1.904
542 HG SER 14 HG SER 14 1.780 -13.484 -3.494
543 HB2 SER 14 2HB SER 14 3.165 -11.497 -3.468
544 HB3 SER 14 1HB SER 14 3.427 -12.749 -2.254
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