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 |
|
|
467341 |
2kta   |
16692 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H1 MET 1 -15.007 6.094 6.691
2 H2 MET 1 H2 MET 1 -14.783 4.611 7.480
3 H3 MET 1 H3 MET 1 -14.168 6.032 8.162
4 HA MET 1 HA MET 1 -16.169 5.265 9.284
5 HB2 MET 1 HB2 MET 1 -15.552 7.689 9.140
6 HB3 MET 1 HB3 MET 1 -16.621 7.831 7.751
7 HG2 MET 1 HG2 MET 1 -17.712 8.626 9.750
8 HG3 MET 1 HG3 MET 1 -18.518 7.181 9.141
9 HE1 MET 1 HE1 MET 1 -18.848 8.432 12.127
10 HE2 MET 1 HE2 MET 1 -18.899 6.941 13.065
11 HE3 MET 1 HE3 MET 1 -19.758 7.044 11.527
12 H ASN 2 H ASN 2 -17.077 6.628 6.099
13 HA ASN 2 HA ASN 2 -19.209 4.588 5.949
14 HB2 ASN 2 HB2 ASN 2 -19.080 7.337 4.682
15 HB3 ASN 2 HB3 ASN 2 -20.353 6.160 4.381
16 HD21 ASN 2 HD21 ASN 2 -20.604 8.812 5.446
17 HD22 ASN 2 HD22 ASN 2 -21.310 8.653 7.015
18 H GLN 3 H GLN 3 -19.782 4.908 3.221
19 HA GLN 3 HA GLN 3 -17.831 3.256 2.041
20 HB2 GLN 3 HB2 GLN 3 -20.196 3.328 1.316
21 HB3 GLN 3 HB3 GLN 3 -19.936 4.944 0.672
22 HG2 GLN 3 HG2 GLN 3 -19.889 3.291 -1.097
23 HG3 GLN 3 HG3 GLN 3 -18.309 4.053 -0.919
24 HE21 GLN 3 HE21 GLN 3 -17.205 2.359 -1.850
25 HE22 GLN 3 HE22 GLN 3 -17.018 0.822 -1.064
26 H ASN 4 H ASN 4 -18.501 6.727 1.703
27 HA ASN 4 HA ASN 4 -17.329 8.449 0.812
28 HB2 ASN 4 HB2 ASN 4 -15.638 7.396 2.507
29 HB3 ASN 4 HB3 ASN 4 -14.798 6.841 1.063
30 HD21 ASN 4 HD21 ASN 4 -15.710 9.578 2.975
31 HD22 ASN 4 HD22 ASN 4 -14.688 10.732 2.184
32 H LEU 5 H LEU 5 -15.091 8.539 -0.863
33 HA LEU 5 HA LEU 5 -16.118 7.159 -3.246
34 HB2 LEU 5 HB2 LEU 5 -14.191 9.477 -3.005
35 HB3 LEU 5 HB3 LEU 5 -14.804 8.812 -4.508
36 HG LEU 5 HG LEU 5 -16.527 10.112 -2.397
37 HD11 LEU 5 HD11 LEU 5 -15.489 11.222 -4.998
38 HD12 LEU 5 HD12 LEU 5 -15.018 11.740 -3.379
39 HD13 LEU 5 HD13 LEU 5 -16.668 12.001 -3.943
40 HD21 LEU 5 HD21 LEU 5 -18.227 10.124 -4.160
41 HD22 LEU 5 HD22 LEU 5 -17.721 8.484 -3.752
42 HD23 LEU 5 HD23 LEU 5 -17.126 9.252 -5.224
43 H GLN 6 H GLN 6 -14.128 6.475 -0.907
44 HA GLN 6 HA GLN 6 -11.757 5.769 -2.468
45 HB2 GLN 6 HB2 GLN 6 -12.223 5.673 0.521
46 HB3 GLN 6 HB3 GLN 6 -10.687 5.415 -0.297
47 HG2 GLN 6 HG2 GLN 6 -10.659 7.695 -1.061
48 HG3 GLN 6 HG3 GLN 6 -12.261 7.977 -0.381
49 HE21 GLN 6 HE21 GLN 6 -9.766 9.351 0.167
50 HE22 GLN 6 HE22 GLN 6 -9.482 9.174 1.867
51 H GLY 7 H GLY 7 -14.138 4.265 -2.911
52 HA2 GLY 7 HA2 GLY 7 -14.224 1.837 -1.485
53 HA3 GLY 7 HA3 GLY 7 -14.816 2.077 -3.124
54 H GLU 8 H GLU 8 -12.398 2.816 -4.330
55 HA GLU 8 HA GLU 8 -11.165 0.409 -4.967
56 HB2 GLU 8 HB2 GLU 8 -11.015 2.416 -6.358
57 HB3 GLU 8 HB3 GLU 8 -10.061 3.221 -5.122
58 HG2 GLU 8 HG2 GLU 8 -8.296 1.528 -5.429
59 HG3 GLU 8 HG3 GLU 8 -9.243 0.816 -6.735
60 H TRP 9 H TRP 9 -10.087 2.962 -2.755
61 HA TRP 9 HA TRP 9 -7.733 1.796 -1.849
62 HB2 TRP 9 HB2 TRP 9 -8.181 4.073 -1.291
63 HB3 TRP 9 HB3 TRP 9 -9.693 3.657 -0.502
64 HD1 TRP 9 HD1 TRP 9 -9.290 4.399 1.921
65 HE1 TRP 9 HE1 TRP 9 -7.554 3.857 3.750
66 HE3 TRP 9 HE3 TRP 9 -5.978 1.682 -0.883
67 HZ2 TRP 9 HZ2 TRP 9 -5.130 2.459 3.968
68 HZ3 TRP 9 HZ3 TRP 9 -3.976 0.776 0.225
69 HH2 TRP 9 HH2 TRP 9 -3.564 1.158 2.598
70 H MET 10 H MET 10 -11.008 1.552 -0.499
71 HA MET 10 HA MET 10 -10.423 -0.118 1.657
72 HB2 MET 10 HB2 MET 10 -12.596 1.001 1.323
73 HB3 MET 10 HB3 MET 10 -12.947 -0.083 -0.011
74 HG2 MET 10 HG2 MET 10 -14.144 -0.950 1.790
75 HG3 MET 10 HG3 MET 10 -12.718 -1.975 1.674
76 HE1 MET 10 HE1 MET 10 -10.378 -0.679 3.056
77 HE2 MET 10 HE2 MET 10 -10.945 -2.265 3.581
78 HE3 MET 10 HE3 MET 10 -10.617 -1.006 4.771
79 H LYS 11 H LYS 11 -11.275 -0.960 -1.684
80 HA LYS 11 HA LYS 11 -11.373 -3.752 -1.241
81 HB2 LYS 11 HB2 LYS 11 -12.406 -2.429 -3.165
82 HB3 LYS 11 HB3 LYS 11 -10.800 -2.405 -3.877
83 HG2 LYS 11 HG2 LYS 11 -11.420 -5.085 -3.167
84 HG3 LYS 11 HG3 LYS 11 -12.783 -4.408 -4.060
85 HD2 LYS 11 HD2 LYS 11 -11.349 -5.356 -5.681
86 HD3 LYS 11 HD3 LYS 11 -11.092 -3.615 -5.776
87 HE2 LYS 11 HE2 LYS 11 -9.074 -3.808 -4.457
88 HE3 LYS 11 HE3 LYS 11 -9.350 -5.531 -4.235
89 HZ1 LYS 11 HZ1 LYS 11 -9.316 -5.506 -6.840
90 HZ2 LYS 11 HZ2 LYS 11 -7.876 -5.558 -5.952
91 HZ3 LYS 11 HZ3 LYS 11 -8.413 -4.090 -6.609
92 H ASN 12 H ASN 12 -8.855 -1.589 -2.505
93 HA ASN 12 HA ASN 12 -7.022 -3.674 -3.105
94 HB2 ASN 12 HB2 ASN 12 -6.655 -0.700 -2.766
95 HB3 ASN 12 HB3 ASN 12 -5.341 -1.783 -3.199
96 HD21 ASN 12 HD21 ASN 12 -6.370 0.393 -4.742
97 HD22 ASN 12 HD22 ASN 12 -6.967 -0.269 -6.221
98 H TYR 13 H TYR 13 -7.558 -1.654 -0.267
99 HA TYR 13 HA TYR 13 -5.177 -2.222 1.083
100 HB2 TYR 13 HB2 TYR 13 -6.616 -0.470 1.897
101 HB3 TYR 13 HB3 TYR 13 -7.927 -1.612 2.182
102 HD1 TYR 13 HD1 TYR 13 -4.320 -1.280 3.141
103 HD2 TYR 13 HD2 TYR 13 -8.291 -2.156 4.385
104 HE1 TYR 13 HE1 TYR 13 -3.514 -1.645 5.435
105 HE2 TYR 13 HE2 TYR 13 -7.498 -2.524 6.681
106 HH TYR 13 HH TYR 13 -4.352 -1.646 7.708
107 H GLU 14 H GLU 14 -8.327 -3.896 1.289
108 HA GLU 14 HA GLU 14 -7.361 -5.836 3.121
109 HB2 GLU 14 HB2 GLU 14 -9.452 -7.060 2.591
110 HB3 GLU 14 HB3 GLU 14 -9.712 -5.381 3.038
111 HG2 GLU 14 HG2 GLU 14 -9.958 -4.802 0.668
112 HG3 GLU 14 HG3 GLU 14 -9.736 -6.500 0.243
113 H GLU 15 H GLU 15 -7.265 -5.565 -0.319
114 HA GLU 15 HA GLU 15 -6.721 -8.309 -0.886
115 HB2 GLU 15 HB2 GLU 15 -7.553 -6.671 -2.574
116 HB3 GLU 15 HB3 GLU 15 -5.998 -5.853 -2.501
117 HG2 GLU 15 HG2 GLU 15 -4.902 -7.895 -3.304
118 HG3 GLU 15 HG3 GLU 15 -6.476 -8.682 -3.418
119 H LEU 16 H LEU 16 -4.771 -5.455 -0.231
120 HA LEU 16 HA LEU 16 -2.272 -6.807 -0.737
121 HB2 LEU 16 HB2 LEU 16 -2.773 -4.332 -1.116
122 HB3 LEU 16 HB3 LEU 16 -2.690 -4.148 0.623
123 HG LEU 16 HG LEU 16 -0.356 -5.390 -0.755
124 HD11 LEU 16 HD11 LEU 16 -0.888 -3.471 -2.166
125 HD12 LEU 16 HD12 LEU 16 0.581 -3.183 -1.233
126 HD13 LEU 16 HD13 LEU 16 -0.937 -2.431 -0.744
127 HD21 LEU 16 HD21 LEU 16 -0.406 -5.200 1.683
128 HD22 LEU 16 HD22 LEU 16 -0.638 -3.458 1.545
129 HD23 LEU 16 HD23 LEU 16 0.866 -4.194 0.990
130 H LYS 17 H LYS 17 -4.292 -5.899 1.920
131 HA LYS 17 HA LYS 17 -2.731 -6.478 4.127
132 HB2 LYS 17 HB2 LYS 17 -4.976 -5.491 4.198
133 HB3 LYS 17 HB3 LYS 17 -5.671 -7.008 3.655
134 HG2 LYS 17 HG2 LYS 17 -4.887 -8.070 5.724
135 HG3 LYS 17 HG3 LYS 17 -4.285 -6.500 6.267
136 HD2 LYS 17 HD2 LYS 17 -6.567 -5.588 6.083
137 HD3 LYS 17 HD3 LYS 17 -7.149 -7.183 5.606
138 HE2 LYS 17 HE2 LYS 17 -6.326 -8.065 7.782
139 HE3 LYS 17 HE3 LYS 17 -5.921 -6.412 8.251
140 HZ1 LYS 17 HZ1 LYS 17 -8.266 -5.820 7.985
141 HZ2 LYS 17 HZ2 LYS 17 -8.073 -7.058 9.126
142 HZ3 LYS 17 HZ3 LYS 17 -8.633 -7.424 7.568
143 H SER 18 H SER 18 -4.805 -8.638 2.240
144 HA SER 18 HA SER 18 -4.090 -10.980 3.695
145 HB2 SER 18 HB2 SER 18 -5.328 -10.785 0.939
146 HB3 SER 18 HB3 SER 18 -5.391 -12.167 2.033
147 HG SER 18 HG SER 18 -6.745 -9.705 2.169
148 H PHE 19 H PHE 19 -2.857 -9.359 0.856
149 HA PHE 19 HA PHE 19 -1.335 -11.549 -0.150
150 HB2 PHE 19 HB2 PHE 19 -2.078 -9.453 -1.421
151 HB3 PHE 19 HB3 PHE 19 -0.735 -8.631 -0.635
152 HD1 PHE 19 HD2 PHE 19 -1.702 -11.133 -3.109
153 HD2 PHE 19 HD1 PHE 19 1.554 -9.131 -1.238
154 HE1 PHE 19 HE2 PHE 19 -0.198 -11.934 -4.882
155 HE2 PHE 19 HE1 PHE 19 3.063 -9.931 -3.007
156 HZ PHE 19 HZ PHE 19 2.190 -11.336 -4.831
157 H VAL 20 H VAL 20 -0.500 -8.681 1.790
158 HA VAL 20 HA VAL 20 2.207 -9.381 2.140
159 HB VAL 20 HB VAL 20 0.398 -7.505 3.627
160 HG11 VAL 20 HG11 VAL 20 1.928 -8.440 5.304
161 HG12 VAL 20 HG12 VAL 20 2.340 -6.764 4.934
162 HG13 VAL 20 HG13 VAL 20 3.299 -8.078 4.253
163 HG21 VAL 20 HG21 VAL 20 2.893 -7.167 1.980
164 HG22 VAL 20 HG22 VAL 20 1.942 -5.860 2.693
165 HG23 VAL 20 HG23 VAL 20 1.243 -6.870 1.426
166 H ARG 21 H ARG 21 -0.682 -10.237 3.969
167 HA ARG 21 HA ARG 21 0.578 -11.424 6.165
168 HB2 ARG 21 HB2 ARG 21 -1.882 -11.010 5.920
169 HB3 ARG 21 HB3 ARG 21 -1.961 -12.364 4.805
170 HG2 ARG 21 HG2 ARG 21 -0.833 -12.809 7.527
171 HG3 ARG 21 HG3 ARG 21 -2.579 -12.649 7.330
172 HD2 ARG 21 HD2 ARG 21 -2.710 -14.537 5.947
173 HD3 ARG 21 HD3 ARG 21 -0.974 -14.538 5.637
174 HE ARG 21 HE ARG 21 -1.494 -14.910 8.398
175 HH11 ARG 21 HH11 ARG 21 -1.651 -16.592 5.332
176 HH12 ARG 21 HH12 ARG 21 -1.383 -18.163 6.028
177 HH21 ARG 21 HH21 ARG 21 -1.110 -16.944 9.316
178 HH22 ARG 21 HH22 ARG 21 -1.042 -18.360 8.305
179 H LYS 22 H LYS 22 0.523 -12.338 2.876
180 HA LYS 22 HA LYS 22 1.253 -15.109 3.466
181 HB2 LYS 22 HB2 LYS 22 -0.562 -14.703 1.854
182 HB3 LYS 22 HB3 LYS 22 0.546 -13.791 0.842
183 HG2 LYS 22 HG2 LYS 22 1.841 -15.769 0.396
184 HG3 LYS 22 HG3 LYS 22 0.863 -16.704 1.528
185 HD2 LYS 22 HD2 LYS 22 -1.119 -16.281 0.126
186 HD3 LYS 22 HD3 LYS 22 -0.103 -15.414 -1.023
187 HE2 LYS 22 HE2 LYS 22 1.149 -17.413 -1.502
188 HE3 LYS 22 HE3 LYS 22 0.294 -18.296 -0.238
189 HZ1 LYS 22 HZ1 LYS 22 -1.748 -18.075 -1.479
190 HZ2 LYS 22 HZ2 LYS 22 -0.560 -18.791 -2.457
191 HZ3 LYS 22 HZ3 LYS 22 -0.967 -17.161 -2.675
192 H TYR 23 H TYR 23 2.425 -12.291 1.596
193 HA TYR 23 HA TYR 23 5.017 -13.674 1.320
194 HB2 TYR 23 HB2 TYR 23 3.686 -11.597 -0.398
195 HB3 TYR 23 HB3 TYR 23 5.392 -11.987 -0.551
196 HD1 TYR 23 HD2 TYR 23 5.868 -14.606 -0.807
197 HD2 TYR 23 HD1 TYR 23 2.208 -12.669 -1.794
198 HE1 TYR 23 HE2 TYR 23 5.329 -16.432 -2.364
199 HE2 TYR 23 HE1 TYR 23 1.657 -14.491 -3.351
200 HH TYR 23 HH TYR 23 2.956 -16.187 -4.709
201 H ARG 24 H ARG 24 3.538 -10.872 2.697
202 HA ARG 24 HA ARG 24 4.275 -8.871 3.474
203 HB2 ARG 24 HB2 ARG 24 6.748 -10.532 3.903
204 HB3 ARG 24 HB3 ARG 24 6.744 -8.813 4.259
205 HG2 ARG 24 HG2 ARG 24 6.333 -9.939 6.290
206 HG3 ARG 24 HG3 ARG 24 4.799 -9.233 5.784
207 HD2 ARG 24 HD2 ARG 24 3.830 -11.229 5.459
208 HD3 ARG 24 HD3 ARG 24 5.305 -11.962 4.844
209 HE ARG 24 HE ARG 24 5.157 -11.397 7.708
210 HH11 ARG 24 HH11 ARG 24 5.102 -13.752 5.119
211 HH12 ARG 24 HH12 ARG 24 5.263 -15.113 6.183
212 HH21 ARG 24 HH21 ARG 24 5.379 -13.187 9.114
213 HH22 ARG 24 HH22 ARG 24 5.422 -14.798 8.455
214 H ARG 25 H ARG 25 4.054 -7.643 1.675
215 HA ARG 25 HA ARG 25 4.595 -6.317 -0.058
216 HB2 ARG 25 HB2 ARG 25 6.447 -5.615 1.332
217 HB3 ARG 25 HB3 ARG 25 7.399 -6.988 0.807
218 HG2 ARG 25 HG2 ARG 25 7.511 -6.090 -1.432
219 HG3 ARG 25 HG3 ARG 25 6.484 -4.732 -0.952
220 HD2 ARG 25 HD2 ARG 25 8.107 -3.921 0.549
221 HD3 ARG 25 HD3 ARG 25 9.069 -5.388 0.410
222 HE ARG 25 HE ARG 25 9.277 -4.598 -2.050
223 HH11 ARG 25 HH11 ARG 25 9.200 -2.522 0.765
224 HH12 ARG 25 HH12 ARG 25 10.212 -1.305 0.048
225 HH21 ARG 25 HH21 ARG 25 10.595 -3.021 -2.996
226 HH22 ARG 25 HH22 ARG 25 10.978 -1.564 -2.112
227 H PHE 26 H PHE 26 5.494 -6.322 -2.222
228 HA PHE 26 HA PHE 26 6.069 -8.997 -3.245
229 HB2 PHE 26 HB2 PHE 26 4.633 -8.326 -5.282
230 HB3 PHE 26 HB3 PHE 26 3.820 -8.869 -3.823
231 HD1 PHE 26 HD1 PHE 26 2.734 -7.186 -2.331
232 HD2 PHE 26 HD2 PHE 26 4.252 -6.177 -6.175
233 HE1 PHE 26 HE1 PHE 26 1.363 -5.145 -2.331
234 HE2 PHE 26 HE2 PHE 26 2.887 -4.133 -6.180
235 HZ PHE 26 HZ PHE 26 1.439 -3.612 -4.258
236 HA PRO 27 HA PRO 27 9.343 -6.113 -4.607
237 HB2 PRO 27 HB2 PRO 27 10.840 -8.644 -4.815
238 HB3 PRO 27 HB3 PRO 27 11.240 -7.172 -3.927
239 HG2 PRO 27 HG2 PRO 27 10.477 -9.400 -2.655
240 HG3 PRO 27 HG3 PRO 27 10.001 -7.791 -2.075
241 HD2 PRO 27 HD2 PRO 27 8.408 -9.794 -3.638
242 HD3 PRO 27 HD3 PRO 27 7.908 -8.781 -2.267
243 H LYS 28 H LYS 28 7.978 -8.941 -6.076
244 HA LYS 28 HA LYS 28 9.381 -8.544 -8.590
245 HB2 LYS 28 HB2 LYS 28 8.911 -10.833 -7.784
246 HB3 LYS 28 HB3 LYS 28 7.188 -10.499 -7.873
247 HG2 LYS 28 HG2 LYS 28 7.356 -10.209 -10.288
248 HG3 LYS 28 HG3 LYS 28 9.092 -10.519 -10.208
249 HD2 LYS 28 HD2 LYS 28 6.922 -12.451 -9.396
250 HD3 LYS 28 HD3 LYS 28 7.845 -12.515 -10.899
251 HE2 LYS 28 HE2 LYS 28 9.900 -12.848 -9.644
252 HE3 LYS 28 HE3 LYS 28 9.016 -12.707 -8.126
253 HZ1 LYS 28 HZ1 LYS 28 7.762 -14.687 -8.723
254 HZ2 LYS 28 HZ2 LYS 28 9.426 -15.011 -8.671
255 HZ3 LYS 28 HZ3 LYS 28 8.643 -14.831 -10.164
256 H SER 29 H SER 29 6.037 -8.511 -7.413
257 HA SER 29 HA SER 29 4.212 -7.327 -7.986
258 HB2 SER 29 HB2 SER 29 5.883 -5.411 -7.867
259 HB3 SER 29 HB3 SER 29 5.983 -5.513 -9.624
260 HG SER 29 HG SER 29 3.447 -5.379 -8.473
261 H THR 30 H THR 30 3.502 -9.153 -9.154
262 HA THR 30 HA THR 30 3.291 -8.653 -12.034
263 HB THR 30 HB THR 30 3.490 -11.186 -12.372
264 HG1 THR 30 HG1 THR 30 3.756 -12.254 -10.567
265 HG21 THR 30 HG21 THR 30 5.955 -9.632 -11.572
266 HG22 THR 30 HG22 THR 30 5.194 -9.626 -13.162
267 HG23 THR 30 HG23 THR 30 5.938 -11.100 -12.547
268 H GLU 31 H GLU 31 1.570 -8.525 -9.521
269 HA GLU 31 HA GLU 31 -0.405 -10.597 -10.116
270 HB2 GLU 31 HB2 GLU 31 -1.422 -9.917 -7.914
271 HB3 GLU 31 HB3 GLU 31 0.185 -10.616 -7.823
272 HG2 GLU 31 HG2 GLU 31 -0.389 -7.662 -7.730
273 HG3 GLU 31 HG3 GLU 31 -0.177 -8.687 -6.312
274 H GLY 32 H GLY 32 0.084 -7.828 -11.427
275 HA2 GLY 32 HA2 GLY 32 -1.322 -6.608 -12.790
276 HA3 GLY 32 HA3 GLY 32 -2.658 -7.573 -12.192
277 H ASN 33 H ASN 33 -3.609 -6.952 -10.118
278 HA ASN 33 HA ASN 33 -4.264 -4.203 -10.256
279 HB2 ASN 33 HB2 ASN 33 -5.923 -5.829 -9.545
280 HB3 ASN 33 HB3 ASN 33 -4.950 -6.257 -8.141
281 HD21 ASN 33 HD21 ASN 33 -5.074 -5.039 -6.323
282 HD22 ASN 33 HD22 ASN 33 -6.084 -3.635 -6.161
283 H LEU 34 H LEU 34 -2.664 -6.038 -7.633
284 HA LEU 34 HA LEU 34 -1.944 -3.710 -6.174
285 HB2 LEU 34 HB2 LEU 34 -0.816 -6.504 -6.140
286 HB3 LEU 34 HB3 LEU 34 -0.304 -5.239 -5.041
287 HG LEU 34 HG LEU 34 -3.093 -6.388 -5.232
288 HD11 LEU 34 HD11 LEU 34 -1.518 -7.943 -4.238
289 HD12 LEU 34 HD12 LEU 34 -2.606 -7.295 -3.009
290 HD13 LEU 34 HD13 LEU 34 -0.954 -6.690 -3.132
291 HD21 LEU 34 HD21 LEU 34 -3.551 -5.053 -3.234
292 HD22 LEU 34 HD22 LEU 34 -3.132 -4.032 -4.610
293 HD23 LEU 34 HD23 LEU 34 -1.944 -4.337 -3.340
294 H GLY 35 H GLY 35 -0.394 -5.572 -8.693
295 HA2 GLY 35 HA2 GLY 35 2.168 -4.475 -8.585
296 HA3 GLY 35 HA3 GLY 35 1.405 -5.111 -10.034
297 H GLY 36 H GLY 36 -0.713 -3.358 -10.285
298 HA2 GLY 36 HA2 GLY 36 0.592 -1.108 -11.485
299 HA3 GLY 36 HA3 GLY 36 -1.145 -1.373 -11.385
300 H TRP 37 H TRP 37 -1.363 -1.613 -8.604
301 HA TRP 37 HA TRP 37 -1.637 1.051 -7.783
302 HB2 TRP 37 HB2 TRP 37 -2.749 -1.088 -6.856
303 HB3 TRP 37 HB3 TRP 37 -1.304 -1.242 -5.860
304 HD1 TRP 37 HD1 TRP 37 -4.012 1.423 -6.586
305 HE1 TRP 37 HE1 TRP 37 -4.459 2.725 -4.421
306 HE3 TRP 37 HE3 TRP 37 -0.558 -0.839 -3.578
307 HZ2 TRP 37 HZ2 TRP 37 -3.477 2.773 -1.766
308 HZ3 TRP 37 HZ3 TRP 37 -0.377 -0.109 -1.237
309 HH2 TRP 37 HH2 TRP 37 -1.804 1.658 -0.352
310 H CYS 38 H CYS 38 0.888 -1.344 -7.118
311 HA CYS 38 HA CYS 38 2.447 0.270 -5.400
312 HB2 CYS 38 HB2 CYS 38 2.677 -2.182 -5.548
313 HB3 CYS 38 HB3 CYS 38 3.317 -2.023 -7.178
314 HG CYS 38 HG CYS 38 5.549 -2.547 -5.788
315 H HIS 39 H HIS 39 2.443 -0.186 -8.901
316 HA HIS 39 HA HIS 39 4.800 1.215 -9.494
317 HB2 HIS 39 HB2 HIS 39 2.355 0.484 -11.024
318 HB3 HIS 39 HB3 HIS 39 3.385 1.741 -11.700
319 HD1 HIS 39 HD1 HIS 39 3.603 -1.877 -10.562
320 HD2 HIS 39 HD2 HIS 39 5.565 0.825 -13.038
321 HE1 HIS 39 HE1 HIS 39 5.332 -3.221 -11.796
322 HE2 HIS 39 HE2 HIS 39 6.321 -1.608 -13.460
323 H THR 40 H THR 40 1.438 2.370 -9.333
324 HA THR 40 HA THR 40 2.057 5.104 -9.746
325 HB THR 40 HB THR 40 -0.298 4.040 -8.173
326 HG1 THR 40 HG1 THR 40 -1.338 3.801 -10.191
327 HG21 THR 40 HG21 THR 40 -1.448 6.000 -9.092
328 HG22 THR 40 HG22 THR 40 0.020 6.470 -9.949
329 HG23 THR 40 HG23 THR 40 -0.015 6.482 -8.186
330 H GLN 41 H GLN 41 1.969 3.040 -6.930
331 HA GLN 41 HA GLN 41 1.823 5.036 -4.950
332 HB2 GLN 41 HB2 GLN 41 1.590 2.368 -4.927
333 HB3 GLN 41 HB3 GLN 41 3.242 2.507 -4.342
334 HG2 GLN 41 HG2 GLN 41 1.726 2.400 -2.492
335 HG3 GLN 41 HG3 GLN 41 2.471 3.995 -2.557
336 HE21 GLN 41 HE21 GLN 41 -0.058 3.036 -4.754
337 HE22 GLN 41 HE22 GLN 41 -1.286 4.058 -4.091
338 H ARG 42 H ARG 42 4.500 3.684 -6.731
339 HA ARG 42 HA ARG 42 6.651 4.431 -5.151
340 HB2 ARG 42 HB2 ARG 42 6.333 4.310 -8.146
341 HB3 ARG 42 HB3 ARG 42 7.862 4.733 -7.391
342 HG2 ARG 42 HG2 ARG 42 6.359 2.149 -7.040
343 HG3 ARG 42 HG3 ARG 42 7.832 2.393 -7.982
344 HD2 ARG 42 HD2 ARG 42 8.814 3.280 -5.762
345 HD3 ARG 42 HD3 ARG 42 7.450 2.450 -5.015
346 HE ARG 42 HE ARG 42 8.807 0.710 -6.792
347 HH11 ARG 42 HH11 ARG 42 9.079 2.185 -3.629
348 HH12 ARG 42 HH12 ARG 42 10.177 0.981 -3.015
349 HH21 ARG 42 HH21 ARG 42 10.257 -0.885 -5.983
350 HH22 ARG 42 HH22 ARG 42 10.827 -0.747 -4.341
351 H LYS 43 H LYS 43 4.869 6.357 -7.527
352 HA LYS 43 HA LYS 43 6.549 8.649 -7.219
353 HB2 LYS 43 HB2 LYS 43 3.837 8.327 -8.516
354 HB3 LYS 43 HB3 LYS 43 4.778 9.814 -8.556
355 HG2 LYS 43 HG2 LYS 43 5.226 8.799 -10.599
356 HG3 LYS 43 HG3 LYS 43 6.626 8.384 -9.607
357 HD2 LYS 43 HD2 LYS 43 6.002 6.396 -10.704
358 HD3 LYS 43 HD3 LYS 43 5.424 6.228 -9.055
359 HE2 LYS 43 HE2 LYS 43 3.718 5.459 -10.564
360 HE3 LYS 43 HE3 LYS 43 3.183 6.956 -9.801
361 HZ1 LYS 43 HZ1 LYS 43 2.708 6.901 -12.181
362 HZ2 LYS 43 HZ2 LYS 43 4.365 6.754 -12.519
363 HZ3 LYS 43 HZ3 LYS 43 3.774 8.165 -11.791
364 H MET 44 H MET 44 3.805 7.405 -5.579
365 HA MET 44 HA MET 44 2.814 9.844 -4.513
366 HB2 MET 44 HB2 MET 44 2.657 7.099 -3.239
367 HB3 MET 44 HB3 MET 44 1.630 8.476 -2.885
368 HG2 MET 44 HG2 MET 44 1.700 6.950 -5.483
369 HG3 MET 44 HG3 MET 44 0.492 6.786 -4.215
370 HE1 MET 44 HE1 MET 44 2.194 9.634 -6.435
371 HE2 MET 44 HE2 MET 44 0.765 10.122 -7.346
372 HE3 MET 44 HE3 MET 44 1.383 8.476 -7.487
373 H ARG 45 H ARG 45 5.054 7.390 -3.328
374 HA ARG 45 HA ARG 45 5.680 8.809 -0.922
375 HB2 ARG 45 HB2 ARG 45 5.795 6.341 -1.119
376 HB3 ARG 45 HB3 ARG 45 7.118 6.501 -2.252
377 HG2 ARG 45 HG2 ARG 45 7.370 7.693 0.469
378 HG3 ARG 45 HG3 ARG 45 7.555 5.954 0.261
379 HD2 ARG 45 HD2 ARG 45 9.143 8.073 -1.185
380 HD3 ARG 45 HD3 ARG 45 9.707 7.146 0.204
381 HE ARG 45 HE ARG 45 9.428 6.217 -2.536
382 HH11 ARG 45 HH11 ARG 45 9.991 5.361 0.824
383 HH12 ARG 45 HH12 ARG 45 10.732 3.838 0.432
384 HH21 ARG 45 HH21 ARG 45 10.469 4.235 -3.045
385 HH22 ARG 45 HH22 ARG 45 11.023 3.201 -1.750
386 H LYS 46 H LYS 46 7.084 8.476 -4.117
387 HA LYS 46 HA LYS 46 9.499 9.828 -3.682
388 HB2 LYS 46 HB2 LYS 46 9.199 8.584 -5.698
389 HB3 LYS 46 HB3 LYS 46 7.762 9.494 -6.133
390 HG2 LYS 46 HG2 LYS 46 10.333 10.963 -5.884
391 HG3 LYS 46 HG3 LYS 46 10.090 9.926 -7.290
392 HD2 LYS 46 HD2 LYS 46 8.032 11.134 -7.829
393 HD3 LYS 46 HD3 LYS 46 8.243 12.144 -6.399
394 HE2 LYS 46 HE2 LYS 46 8.983 13.368 -8.321
395 HE3 LYS 46 HE3 LYS 46 10.387 12.947 -7.345
396 HZ1 LYS 46 HZ1 LYS 46 10.761 12.614 -9.716
397 HZ2 LYS 46 HZ2 LYS 46 9.500 11.485 -9.773
398 HZ3 LYS 46 HZ3 LYS 46 10.893 11.154 -8.859
399 H GLN 47 H GLN 47 6.313 11.050 -4.675
400 HA GLN 47 HA GLN 47 7.209 13.757 -4.893
401 HB2 GLN 47 HB2 GLN 47 5.219 12.613 -6.081
402 HB3 GLN 47 HB3 GLN 47 4.347 12.888 -4.582
403 HG2 GLN 47 HG2 GLN 47 4.654 15.261 -4.770
404 HG3 GLN 47 HG3 GLN 47 5.659 15.052 -6.202
405 HE21 GLN 47 HE21 GLN 47 3.954 12.929 -7.280
406 HE22 GLN 47 HE22 GLN 47 2.536 13.716 -7.875
407 H GLY 48 H GLY 48 5.770 11.794 -2.394
408 HA2 GLY 48 HA2 GLY 48 5.799 12.263 -0.098
409 HA3 GLY 48 HA3 GLY 48 6.167 13.944 -0.464
410 H LYS 49 H LYS 49 3.607 12.409 -2.188
411 HA LYS 49 HA LYS 49 1.693 14.149 -0.816
412 HB2 LYS 49 HB2 LYS 49 0.200 13.754 -2.680
413 HB3 LYS 49 HB3 LYS 49 1.775 14.241 -3.291
414 HG2 LYS 49 HG2 LYS 49 2.208 12.200 -4.208
415 HG3 LYS 49 HG3 LYS 49 1.214 11.337 -3.033
416 HD2 LYS 49 HD2 LYS 49 0.153 13.079 -5.262
417 HD3 LYS 49 HD3 LYS 49 0.241 11.316 -5.301
418 HE2 LYS 49 HE2 LYS 49 -1.197 11.256 -3.277
419 HE3 LYS 49 HE3 LYS 49 -1.369 13.006 -3.392
420 HZ1 LYS 49 HZ1 LYS 49 -2.290 12.625 -5.669
421 HZ2 LYS 49 HZ2 LYS 49 -3.254 12.036 -4.406
422 HZ3 LYS 49 HZ3 LYS 49 -2.318 10.962 -5.324
423 H LEU 50 H LEU 50 2.843 11.105 -0.639
424 HA LEU 50 HA LEU 50 0.643 9.410 -0.417
425 HB2 LEU 50 HB2 LEU 50 3.446 9.402 0.154
426 HB3 LEU 50 HB3 LEU 50 2.609 8.715 1.527
427 HG LEU 50 HG LEU 50 2.535 7.726 -1.322
428 HD11 LEU 50 HD11 LEU 50 3.649 6.519 1.204
429 HD12 LEU 50 HD12 LEU 50 4.587 7.201 -0.124
430 HD13 LEU 50 HD13 LEU 50 3.619 5.749 -0.382
431 HD21 LEU 50 HD21 LEU 50 1.193 5.884 -0.503
432 HD22 LEU 50 HD22 LEU 50 0.358 7.418 -0.257
433 HD23 LEU 50 HD23 LEU 50 1.143 6.613 1.101
434 HA PRO 51 HA PRO 51 -1.044 10.823 3.516
435 HB2 PRO 51 HB2 PRO 51 -2.820 8.562 3.523
436 HB3 PRO 51 HB3 PRO 51 -3.198 10.240 3.132
437 HG2 PRO 51 HG2 PRO 51 -3.233 8.162 1.322
438 HG3 PRO 51 HG3 PRO 51 -3.048 9.871 0.892
439 HD2 PRO 51 HD2 PRO 51 -0.971 7.743 1.140
440 HD3 PRO 51 HD3 PRO 51 -1.088 9.077 -0.019
441 H ASN 52 H ASN 52 -0.231 10.441 5.434
442 HA ASN 52 HA ASN 52 1.372 8.225 6.059
443 HB2 ASN 52 HB2 ASN 52 0.312 10.535 7.570
444 HB3 ASN 52 HB3 ASN 52 0.822 9.144 8.524
445 HD21 ASN 52 HD21 ASN 52 1.830 11.614 6.296
446 HD22 ASN 52 HD22 ASN 52 3.528 11.463 6.591
447 H ASP 53 H ASP 53 -2.060 8.744 6.525
448 HA ASP 53 HA ASP 53 -2.456 6.568 8.302
449 HB2 ASP 53 HB2 ASP 53 -4.318 7.927 6.352
450 HB3 ASP 53 HB3 ASP 53 -4.834 6.627 7.423
451 H ARG 54 H ARG 54 -2.653 6.853 4.784
452 HA ARG 54 HA ARG 54 -3.204 4.149 4.228
453 HB2 ARG 54 HB2 ARG 54 -3.313 6.181 2.657
454 HB3 ARG 54 HB3 ARG 54 -1.577 6.000 2.473
455 HG2 ARG 54 HG2 ARG 54 -3.127 3.557 1.983
456 HG3 ARG 54 HG3 ARG 54 -3.442 4.878 0.859
457 HD2 ARG 54 HD2 ARG 54 -1.705 3.579 -0.093
458 HD3 ARG 54 HD3 ARG 54 -0.948 5.041 0.530
459 HE ARG 54 HE ARG 54 -0.882 2.947 2.448
460 HH11 ARG 54 HH11 ARG 54 0.649 4.034 -0.506
461 HH12 ARG 54 HH12 ARG 54 2.172 3.289 -0.131
462 HH21 ARG 54 HH21 ARG 54 1.108 1.983 2.946
463 HH22 ARG 54 HH22 ARG 54 2.434 2.114 1.838
464 H ARG 55 H ARG 55 -0.235 5.972 4.621
465 HA ARG 55 HA ARG 55 1.620 3.964 3.993
466 HB2 ARG 55 HB2 ARG 55 2.121 6.377 4.140
467 HB3 ARG 55 HB3 ARG 55 1.878 6.320 5.876
468 HG2 ARG 55 HG2 ARG 55 3.905 4.488 4.746
469 HG3 ARG 55 HG3 ARG 55 4.275 6.211 4.730
470 HD2 ARG 55 HD2 ARG 55 3.824 6.307 7.147
471 HD3 ARG 55 HD3 ARG 55 3.519 4.571 7.144
472 HE ARG 55 HE ARG 55 6.126 5.769 6.418
473 HH11 ARG 55 HH11 ARG 55 4.221 3.376 8.110
474 HH12 ARG 55 HH12 ARG 55 5.594 2.432 8.599
475 HH21 ARG 55 HH21 ARG 55 7.942 4.551 7.089
476 HH22 ARG 55 HH22 ARG 55 7.715 3.119 8.038
477 H LEU 56 H LEU 56 0.149 4.917 7.055
478 HA LEU 56 HA LEU 56 1.633 3.134 8.682
479 HB2 LEU 56 HB2 LEU 56 0.453 5.247 9.384
480 HB3 LEU 56 HB3 LEU 56 -1.054 4.359 9.279
481 HG LEU 56 HG LEU 56 1.056 3.175 10.995
482 HD11 LEU 56 HD11 LEU 56 1.262 5.529 11.556
483 HD12 LEU 56 HD12 LEU 56 0.460 4.653 12.861
484 HD13 LEU 56 HD13 LEU 56 -0.485 5.652 11.756
485 HD21 LEU 56 HD21 LEU 56 -1.919 3.594 11.300
486 HD22 LEU 56 HD22 LEU 56 -0.891 2.669 12.395
487 HD23 LEU 56 HD23 LEU 56 -1.135 2.120 10.737
488 H LEU 57 H LEU 57 -1.583 2.926 7.187
489 HA LEU 57 HA LEU 57 -2.447 0.599 8.457
490 HB2 LEU 57 HB2 LEU 57 -3.202 2.096 6.053
491 HB3 LEU 57 HB3 LEU 57 -3.590 0.389 5.979
492 HG LEU 57 HG LEU 57 -4.880 0.586 8.062
493 HD11 LEU 57 HD11 LEU 57 -5.394 2.796 8.982
494 HD12 LEU 57 HD12 LEU 57 -4.236 3.524 7.868
495 HD13 LEU 57 HD13 LEU 57 -3.678 2.411 9.117
496 HD21 LEU 57 HD21 LEU 57 -5.666 2.586 5.948
497 HD22 LEU 57 HD22 LEU 57 -6.740 1.873 7.152
498 HD23 LEU 57 HD23 LEU 57 -6.000 0.854 5.917
499 H LEU 58 H LEU 58 -0.559 0.936 5.460
500 HA LEU 58 HA LEU 58 -0.426 -1.880 5.012
501 HB2 LEU 58 HB2 LEU 58 0.905 0.502 3.833
502 HB3 LEU 58 HB3 LEU 58 1.688 -1.050 3.615
503 HG LEU 58 HG LEU 58 -0.479 -1.901 2.648
504 HD11 LEU 58 HD11 LEU 58 -1.174 1.030 2.630
505 HD12 LEU 58 HD12 LEU 58 -1.973 -0.225 3.579
506 HD13 LEU 58 HD13 LEU 58 -2.073 -0.253 1.818
507 HD21 LEU 58 HD21 LEU 58 0.902 0.375 1.237
508 HD22 LEU 58 HD22 LEU 58 -0.116 -0.841 0.466
509 HD23 LEU 58 HD23 LEU 58 1.399 -1.318 1.234
510 H ASP 59 H ASP 59 1.550 0.408 6.771
511 HA ASP 59 HA ASP 59 3.796 -1.260 7.170
512 HB2 ASP 59 HB2 ASP 59 3.719 1.209 7.577
513 HB3 ASP 59 HB3 ASP 59 2.752 0.899 9.014
514 H LYS 60 H LYS 60 0.769 -0.823 8.864
515 HA LYS 60 HA LYS 60 1.392 -2.386 11.138
516 HB2 LYS 60 HB2 LYS 60 -0.891 -0.942 10.068
517 HB3 LYS 60 HB3 LYS 60 -1.366 -2.430 10.870
518 HG2 LYS 60 HG2 LYS 60 -1.364 -0.432 12.335
519 HG3 LYS 60 HG3 LYS 60 -0.342 -1.749 12.908
520 HD2 LYS 60 HD2 LYS 60 1.633 -0.621 12.056
521 HD3 LYS 60 HD3 LYS 60 0.628 0.669 11.388
522 HE2 LYS 60 HE2 LYS 60 1.701 1.267 13.543
523 HE3 LYS 60 HE3 LYS 60 -0.058 1.347 13.584
524 HZ1 LYS 60 HZ1 LYS 60 0.920 0.286 15.561
525 HZ2 LYS 60 HZ2 LYS 60 1.536 -0.952 14.578
526 HZ3 LYS 60 HZ3 LYS 60 -0.141 -0.739 14.725
527 H ILE 61 H ILE 61 0.091 -3.191 7.968
528 HA ILE 61 HA ILE 61 -0.648 -5.848 8.849
529 HB ILE 61 HB ILE 61 -1.211 -6.300 6.483
530 HG12 ILE 61 HG12 ILE 61 -0.392 -3.418 6.069
531 HG13 ILE 61 HG13 ILE 61 0.432 -4.826 5.413
532 HG21 ILE 61 HG21 ILE 61 -3.133 -4.786 6.379
533 HG22 ILE 61 HG22 ILE 61 -2.396 -3.774 7.623
534 HG23 ILE 61 HG23 ILE 61 -2.887 -5.424 8.005
535 HD11 ILE 61 HD11 ILE 61 -2.362 -3.934 4.737
536 HD12 ILE 61 HD12 ILE 61 -1.544 -5.351 4.079
537 HD13 ILE 61 HD13 ILE 61 -0.929 -3.737 3.729
538 H GLY 62 H GLY 62 2.189 -4.340 7.937
539 HA2 GLY 62 HA2 GLY 62 4.198 -5.599 8.368
540 HA3 GLY 62 HA3 GLY 62 3.424 -6.995 7.637
541 H PHE 63 H PHE 63 2.977 -4.004 5.981
542 HA PHE 63 HA PHE 63 4.586 -4.975 3.790
543 HB2 PHE 63 HB2 PHE 63 2.438 -3.801 3.370
544 HB3 PHE 63 HB3 PHE 63 3.113 -2.338 4.078
545 HD1 PHE 63 HD2 PHE 63 3.274 -4.641 1.216
546 HD2 PHE 63 HD1 PHE 63 4.573 -0.927 2.836
547 HE1 PHE 63 HE2 PHE 63 4.114 -3.976 -0.997
548 HE2 PHE 63 HE1 PHE 63 5.416 -0.253 0.626
549 HZ PHE 63 HZ PHE 63 5.187 -1.778 -1.294
550 H VAL 64 H VAL 64 6.661 -4.889 4.024
551 HA VAL 64 HA VAL 64 7.950 -2.856 5.571
552 HB VAL 64 HB VAL 64 8.665 -5.217 5.596
553 HG11 VAL 64 HG11 VAL 64 9.998 -6.117 3.750
554 HG12 VAL 64 HG12 VAL 64 9.621 -4.687 2.790
555 HG13 VAL 64 HG13 VAL 64 8.332 -5.792 3.268
556 HG21 VAL 64 HG21 VAL 64 10.765 -3.275 4.650
557 HG22 VAL 64 HG22 VAL 64 11.079 -4.788 5.499
558 HG23 VAL 64 HG23 VAL 64 10.208 -3.487 6.309
559 H TRP 65 H TRP 65 9.114 -1.156 4.870
560 HA TRP 65 HA TRP 65 8.805 -0.415 2.074
561 HB2 TRP 65 HB2 TRP 65 9.952 1.159 4.392
562 HB3 TRP 65 HB3 TRP 65 9.578 1.794 2.792
563 HD1 TRP 65 HD1 TRP 65 7.933 0.787 6.070
564 HE1 TRP 65 HE1 TRP 65 5.480 1.558 6.046
565 HE3 TRP 65 HE3 TRP 65 7.604 2.264 1.189
566 HZ2 TRP 65 HZ2 TRP 65 3.646 2.653 4.193
567 HZ3 TRP 65 HZ3 TRP 65 5.467 3.160 0.370
568 HH2 TRP 65 HH2 TRP 65 3.533 3.350 1.841
569 H SER 66 H SER 66 11.208 -1.406 4.341
570 HA SER 66 HA SER 66 13.360 -2.070 4.147
571 HB2 SER 66 HB2 SER 66 12.905 -1.921 1.158
572 HB3 SER 66 HB3 SER 66 14.196 -2.795 1.978
573 HG SER 66 HG SER 66 12.660 -4.191 2.855
574 H LEU 67 H LEU 67 15.531 -1.392 2.930
575 HA LEU 67 HA LEU 67 15.494 1.535 2.698
576 HB2 LEU 67 HB2 LEU 67 17.744 -0.311 3.489
577 HB3 LEU 67 HB3 LEU 67 17.946 1.404 3.182
578 HG LEU 67 HG LEU 67 16.285 0.166 5.380
579 HD11 LEU 67 HD11 LEU 67 17.929 1.240 6.845
580 HD12 LEU 67 HD12 LEU 67 18.837 1.761 5.427
581 HD13 LEU 67 HD13 LEU 67 18.670 0.043 5.783
582 HD21 LEU 67 HD21 LEU 67 16.747 3.067 4.684
583 HD22 LEU 67 HD22 LEU 67 15.944 2.478 6.140
584 HD23 LEU 67 HD23 LEU 67 15.220 2.192 4.558
585 H GLU 68 H GLU 68 14.866 1.468 0.572
586 HA GLU 68 HA GLU 68 16.394 0.019 -1.408
587 HB2 GLU 68 HB2 GLU 68 14.288 2.118 -1.918
588 HB3 GLU 68 HB3 GLU 68 14.758 0.780 -2.959
589 HG2 GLU 68 HG2 GLU 68 13.635 -0.785 -1.660
590 HG3 GLU 68 HG3 GLU 68 13.563 0.286 -0.262
591 H HIS 69 H HIS 69 15.872 3.319 -0.352
592 HA HIS 69 HA HIS 69 17.991 4.297 -2.098
593 HB2 HIS 69 HB2 HIS 69 15.924 5.640 -1.853
594 HB3 HIS 69 HB3 HIS 69 16.240 5.792 -0.129
595 HD1 HIS 69 HD1 HIS 69 17.945 6.677 -3.418
596 HD2 HIS 69 HD2 HIS 69 17.638 8.033 0.507
597 HE1 HIS 69 HE1 HIS 69 19.200 8.861 -3.348
598 HE2 HIS 69 HE2 HIS 69 18.887 9.727 -1.002
599 H HIS 70 H HIS 70 19.873 3.518 -1.294
600 HA HIS 70 HA HIS 70 20.387 3.430 1.535
601 HB2 HIS 70 HB2 HIS 70 21.300 1.715 0.026
602 HB3 HIS 70 HB3 HIS 70 22.244 2.946 -0.805
603 HD1 HIS 70 HD1 HIS 70 24.529 2.005 -0.231
604 HD2 HIS 70 HD2 HIS 70 22.155 2.692 3.116
605 HE1 HIS 70 HE1 HIS 70 26.052 1.733 1.754
606 HE2 HIS 70 HE2 HIS 70 24.582 2.099 3.774
607 H HIS 71 H HIS 71 20.206 5.542 2.205
608 HA HIS 71 HA HIS 71 22.582 7.084 2.203
609 HB2 HIS 71 HB2 HIS 71 21.598 7.595 -0.105
610 HB3 HIS 71 HB3 HIS 71 20.280 8.390 0.740
611 HD1 HIS 71 HD1 HIS 71 23.163 9.244 -0.982
612 HD2 HIS 71 HD2 HIS 71 21.633 10.414 2.706
613 HE1 HIS 71 HE1 HIS 71 24.255 11.451 -0.461
614 HE2 HIS 71 HE2 HIS 71 23.430 12.065 1.837
615 H HIS 72 H HIS 72 22.185 6.919 4.434
616 HA HIS 72 HA HIS 72 19.726 8.155 5.436
617 HB2 HIS 72 HB2 HIS 72 20.333 7.223 7.632
618 HB3 HIS 72 HB3 HIS 72 20.254 5.972 6.402
619 HD1 HIS 72 HD1 HIS 72 22.439 7.363 8.987
620 HD2 HIS 72 HD2 HIS 72 22.882 5.042 5.556
621 HE1 HIS 72 HE1 HIS 72 24.725 6.333 9.148
622 HE2 HIS 72 HE2 HIS 72 25.024 5.036 7.008
623 H HIS 73 H HIS 73 19.685 10.124 6.237
624 HA HIS 73 HA HIS 73 22.173 11.629 6.385
625 HB2 HIS 73 HB2 HIS 73 19.864 12.405 5.389
626 HB3 HIS 73 HB3 HIS 73 19.486 12.777 7.067
627 HD1 HIS 73 HD1 HIS 73 21.488 13.914 4.171
628 HD2 HIS 73 HD2 HIS 73 20.962 14.924 8.168
629 HE1 HIS 73 HE1 HIS 73 22.586 16.158 4.448
630 HE2 HIS 73 HE2 HIS 73 22.039 16.849 6.810
631 H HIS 74 H HIS 74 20.304 9.770 8.370
632 HA HIS 74 HA HIS 74 21.781 10.671 10.705
633 HB2 HIS 74 HB2 HIS 74 19.593 11.847 10.832
634 HB3 HIS 74 HB3 HIS 74 18.766 10.300 10.722
635 HD1 HIS 74 HD1 HIS 74 20.675 12.476 13.098
636 HD2 HIS 74 HD2 HIS 74 18.718 8.803 13.094
637 HE1 HIS 74 HE1 HIS 74 20.423 11.838 15.513
638 HE2 HIS 74 HE2 HIS 74 19.080 9.712 15.487
Start of MODEL 2
1 H1 MET 1 H1 MET 1 -8.909 7.623 -16.872
2 H2 MET 1 H2 MET 1 -9.166 8.603 -18.231
3 H3 MET 1 H3 MET 1 -7.674 7.836 -18.010
4 HA MET 1 HA MET 1 -9.107 6.786 -19.700
5 HB2 MET 1 HB2 MET 1 -8.461 5.103 -17.262
6 HB3 MET 1 HB3 MET 1 -8.803 4.473 -18.866
7 HG2 MET 1 HG2 MET 1 -6.459 4.425 -18.592
8 HG3 MET 1 HG3 MET 1 -6.814 5.752 -19.695
9 HE1 MET 1 HE1 MET 1 -3.666 7.005 -17.704
10 HE2 MET 1 HE2 MET 1 -4.335 6.658 -19.297
11 HE3 MET 1 HE3 MET 1 -4.020 5.341 -18.170
12 H ASN 2 H ASN 2 -10.168 5.347 -16.661
13 HA ASN 2 HA ASN 2 -12.891 6.235 -17.044
14 HB2 ASN 2 HB2 ASN 2 -13.804 3.905 -17.009
15 HB3 ASN 2 HB3 ASN 2 -12.927 4.291 -18.483
16 HD21 ASN 2 HD21 ASN 2 -12.898 2.455 -15.522
17 HD22 ASN 2 HD22 ASN 2 -11.631 1.369 -15.985
18 H GLN 3 H GLN 3 -10.982 6.758 -15.081
19 HA GLN 3 HA GLN 3 -11.034 5.070 -12.847
20 HB2 GLN 3 HB2 GLN 3 -10.480 7.992 -13.233
21 HB3 GLN 3 HB3 GLN 3 -10.545 7.315 -11.613
22 HG2 GLN 3 HG2 GLN 3 -8.268 7.413 -12.358
23 HG3 GLN 3 HG3 GLN 3 -8.768 5.734 -12.215
24 HE21 GLN 3 HE21 GLN 3 -7.114 5.067 -13.568
25 HE22 GLN 3 HE22 GLN 3 -7.152 5.325 -15.276
26 H ASN 4 H ASN 4 -12.877 4.375 -11.998
27 HA ASN 4 HA ASN 4 -15.194 6.111 -11.778
28 HB2 ASN 4 HB2 ASN 4 -14.768 3.194 -11.106
29 HB3 ASN 4 HB3 ASN 4 -16.286 4.038 -10.837
30 HD21 ASN 4 HD21 ASN 4 -17.513 4.695 -12.619
31 HD22 ASN 4 HD22 ASN 4 -17.275 3.993 -14.189
32 H LEU 5 H LEU 5 -16.465 5.961 -9.683
33 HA LEU 5 HA LEU 5 -14.668 6.209 -7.385
34 HB2 LEU 5 HB2 LEU 5 -16.341 7.997 -7.728
35 HB3 LEU 5 HB3 LEU 5 -17.624 6.809 -7.607
36 HG LEU 5 HG LEU 5 -16.951 6.346 -5.270
37 HD11 LEU 5 HD11 LEU 5 -15.398 7.822 -4.136
38 HD12 LEU 5 HD12 LEU 5 -15.078 8.678 -5.645
39 HD13 LEU 5 HD13 LEU 5 -14.592 6.990 -5.467
40 HD21 LEU 5 HD21 LEU 5 -17.538 9.242 -5.871
41 HD22 LEU 5 HD22 LEU 5 -17.803 8.433 -4.327
42 HD23 LEU 5 HD23 LEU 5 -18.727 7.945 -5.748
43 H GLN 6 H GLN 6 -14.211 3.957 -7.405
44 HA GLN 6 HA GLN 6 -16.446 2.211 -6.614
45 HB2 GLN 6 HB2 GLN 6 -15.382 1.644 -8.776
46 HB3 GLN 6 HB3 GLN 6 -13.831 1.501 -7.967
47 HG2 GLN 6 HG2 GLN 6 -14.793 -0.678 -8.401
48 HG3 GLN 6 HG3 GLN 6 -14.665 -0.379 -6.668
49 HE21 GLN 6 HE21 GLN 6 -16.237 -1.900 -6.192
50 HE22 GLN 6 HE22 GLN 6 -17.914 -1.624 -6.504
51 H GLY 7 H GLY 7 -16.134 0.776 -4.886
52 HA2 GLY 7 HA2 GLY 7 -14.291 1.683 -2.873
53 HA3 GLY 7 HA3 GLY 7 -15.443 0.366 -2.718
54 H GLU 8 H GLU 8 -13.117 0.557 -5.306
55 HA GLU 8 HA GLU 8 -12.145 -2.060 -4.758
56 HB2 GLU 8 HB2 GLU 8 -12.328 -0.823 -7.032
57 HB3 GLU 8 HB3 GLU 8 -10.790 -0.096 -6.592
58 HG2 GLU 8 HG2 GLU 8 -10.330 -1.960 -7.984
59 HG3 GLU 8 HG3 GLU 8 -9.861 -2.402 -6.344
60 H TRP 9 H TRP 9 -11.331 1.047 -3.643
61 HA TRP 9 HA TRP 9 -8.637 0.673 -2.915
62 HB2 TRP 9 HB2 TRP 9 -9.568 2.869 -2.760
63 HB3 TRP 9 HB3 TRP 9 -10.865 2.322 -1.712
64 HD1 TRP 9 HD1 TRP 9 -10.424 3.787 0.355
65 HE1 TRP 9 HE1 TRP 9 -8.503 4.017 2.049
66 HE3 TRP 9 HE3 TRP 9 -6.871 0.991 -2.049
67 HZ2 TRP 9 HZ2 TRP 9 -5.840 3.131 2.333
68 HZ3 TRP 9 HZ3 TRP 9 -4.668 0.727 -0.988
69 HH2 TRP 9 HH2 TRP 9 -4.163 1.779 1.156
70 H MET 10 H MET 10 -11.652 0.027 -1.151
71 HA MET 10 HA MET 10 -10.477 -1.141 1.118
72 HB2 MET 10 HB2 MET 10 -13.160 -1.715 -0.150
73 HB3 MET 10 HB3 MET 10 -12.678 -2.224 1.460
74 HG2 MET 10 HG2 MET 10 -12.740 0.658 0.636
75 HG3 MET 10 HG3 MET 10 -14.152 -0.174 1.277
76 HE1 MET 10 HE1 MET 10 -10.304 0.814 3.640
77 HE2 MET 10 HE2 MET 10 -10.719 1.502 2.070
78 HE3 MET 10 HE3 MET 10 -10.278 -0.201 2.198
79 H LYS 11 H LYS 11 -11.513 -2.471 -1.963
80 HA LYS 11 HA LYS 11 -11.027 -5.182 -1.487
81 HB2 LYS 11 HB2 LYS 11 -12.106 -3.802 -3.492
82 HB3 LYS 11 HB3 LYS 11 -10.496 -3.989 -4.169
83 HG2 LYS 11 HG2 LYS 11 -11.666 -6.459 -3.131
84 HG3 LYS 11 HG3 LYS 11 -12.543 -5.739 -4.479
85 HD2 LYS 11 HD2 LYS 11 -11.042 -7.099 -5.575
86 HD3 LYS 11 HD3 LYS 11 -10.175 -5.564 -5.556
87 HE2 LYS 11 HE2 LYS 11 -8.738 -6.264 -3.858
88 HE3 LYS 11 HE3 LYS 11 -9.795 -7.595 -3.389
89 HZ1 LYS 11 HZ1 LYS 11 -9.304 -8.513 -5.693
90 HZ2 LYS 11 HZ2 LYS 11 -8.048 -8.588 -4.559
91 HZ3 LYS 11 HZ3 LYS 11 -8.030 -7.396 -5.763
92 H ASN 12 H ASN 12 -8.947 -2.693 -2.948
93 HA ASN 12 HA ASN 12 -6.636 -4.210 -3.316
94 HB2 ASN 12 HB2 ASN 12 -7.206 -1.308 -2.994
95 HB3 ASN 12 HB3 ASN 12 -5.538 -1.825 -2.786
96 HD21 ASN 12 HD21 ASN 12 -8.174 -1.456 -5.004
97 HD22 ASN 12 HD22 ASN 12 -7.251 -1.706 -6.445
98 H TYR 13 H TYR 13 -7.733 -2.377 -0.509
99 HA TYR 13 HA TYR 13 -5.414 -2.668 1.033
100 HB2 TYR 13 HB2 TYR 13 -7.247 -1.051 1.494
101 HB3 TYR 13 HB3 TYR 13 -8.260 -2.392 2.015
102 HD1 TYR 13 HD2 TYR 13 -4.881 -0.968 2.716
103 HD2 TYR 13 HD1 TYR 13 -8.366 -2.828 4.284
104 HE1 TYR 13 HE2 TYR 13 -3.959 -0.770 4.982
105 HE2 TYR 13 HE1 TYR 13 -7.450 -2.639 6.561
106 HH TYR 13 HH TYR 13 -4.786 -0.694 7.309
107 H GLU 14 H GLU 14 -8.449 -4.553 1.097
108 HA GLU 14 HA GLU 14 -7.583 -6.423 3.009
109 HB2 GLU 14 HB2 GLU 14 -9.595 -6.822 0.786
110 HB3 GLU 14 HB3 GLU 14 -9.406 -7.862 2.191
111 HG2 GLU 14 HG2 GLU 14 -10.311 -4.995 2.167
112 HG3 GLU 14 HG3 GLU 14 -11.288 -6.419 2.518
113 H GLU 15 H GLU 15 -7.277 -6.359 -0.501
114 HA GLU 15 HA GLU 15 -6.212 -8.957 -0.826
115 HB2 GLU 15 HB2 GLU 15 -7.101 -7.463 -2.651
116 HB3 GLU 15 HB3 GLU 15 -5.624 -6.520 -2.516
117 HG2 GLU 15 HG2 GLU 15 -5.389 -7.993 -4.359
118 HG3 GLU 15 HG3 GLU 15 -4.339 -8.577 -3.069
119 H LEU 16 H LEU 16 -4.723 -5.794 -0.280
120 HA LEU 16 HA LEU 16 -2.044 -6.690 -0.426
121 HB2 LEU 16 HB2 LEU 16 -2.662 -4.347 -0.712
122 HB3 LEU 16 HB3 LEU 16 -3.214 -4.270 0.950
123 HG LEU 16 HG LEU 16 -0.881 -4.731 1.697
124 HD11 LEU 16 HD11 LEU 16 -0.060 -5.860 -0.296
125 HD12 LEU 16 HD12 LEU 16 0.934 -4.452 0.075
126 HD13 LEU 16 HD13 LEU 16 -0.246 -4.378 -1.230
127 HD21 LEU 16 HD21 LEU 16 -1.757 -2.461 1.602
128 HD22 LEU 16 HD22 LEU 16 -1.248 -2.327 -0.083
129 HD23 LEU 16 HD23 LEU 16 -0.042 -2.500 1.196
130 H LYS 17 H LYS 17 -4.310 -6.296 2.276
131 HA LYS 17 HA LYS 17 -2.653 -7.008 4.402
132 HB2 LYS 17 HB2 LYS 17 -5.525 -7.833 3.916
133 HB3 LYS 17 HB3 LYS 17 -4.691 -7.939 5.459
134 HG2 LYS 17 HG2 LYS 17 -4.587 -5.596 5.675
135 HG3 LYS 17 HG3 LYS 17 -5.055 -5.351 3.990
136 HD2 LYS 17 HD2 LYS 17 -6.937 -4.907 5.421
137 HD3 LYS 17 HD3 LYS 17 -7.248 -6.357 4.481
138 HE2 LYS 17 HE2 LYS 17 -6.663 -7.745 6.383
139 HE3 LYS 17 HE3 LYS 17 -6.269 -6.312 7.332
140 HZ1 LYS 17 HZ1 LYS 17 -8.531 -5.644 7.327
141 HZ2 LYS 17 HZ2 LYS 17 -8.504 -7.282 7.769
142 HZ3 LYS 17 HZ3 LYS 17 -8.965 -6.832 6.197
143 H SER 18 H SER 18 -4.595 -9.038 2.294
144 HA SER 18 HA SER 18 -3.723 -11.541 3.183
145 HB2 SER 18 HB2 SER 18 -5.687 -11.117 1.691
146 HB3 SER 18 HB3 SER 18 -4.565 -10.819 0.365
147 HG SER 18 HG SER 18 -5.433 -13.003 0.519
148 H PHE 19 H PHE 19 -2.364 -9.401 0.666
149 HA PHE 19 HA PHE 19 -0.332 -11.173 -0.158
150 HB2 PHE 19 HB2 PHE 19 -1.076 -8.423 -0.623
151 HB3 PHE 19 HB3 PHE 19 0.666 -8.568 -0.439
152 HD1 PHE 19 HD2 PHE 19 -2.239 -9.575 -2.428
153 HD2 PHE 19 HD1 PHE 19 1.994 -9.726 -2.061
154 HE1 PHE 19 HE2 PHE 19 -2.073 -10.380 -4.744
155 HE2 PHE 19 HE1 PHE 19 2.171 -10.528 -4.382
156 HZ PHE 19 HZ PHE 19 0.132 -10.853 -5.729
157 H VAL 20 H VAL 20 -0.480 -8.762 2.414
158 HA VAL 20 HA VAL 20 2.236 -9.062 3.186
159 HB VAL 20 HB VAL 20 -0.137 -7.781 4.489
160 HG11 VAL 20 HG11 VAL 20 1.162 -8.778 6.321
161 HG12 VAL 20 HG12 VAL 20 1.321 -7.022 6.309
162 HG13 VAL 20 HG13 VAL 20 2.629 -8.028 5.686
163 HG21 VAL 20 HG21 VAL 20 1.280 -5.789 4.189
164 HG22 VAL 20 HG22 VAL 20 0.975 -6.626 2.666
165 HG23 VAL 20 HG23 VAL 20 2.532 -6.812 3.481
166 H ARG 21 H ARG 21 -0.757 -10.613 4.385
167 HA ARG 21 HA ARG 21 0.576 -11.917 6.516
168 HB2 ARG 21 HB2 ARG 21 -1.364 -13.417 6.631
169 HB3 ARG 21 HB3 ARG 21 -1.835 -11.731 6.554
170 HG2 ARG 21 HG2 ARG 21 -3.353 -12.756 5.162
171 HG3 ARG 21 HG3 ARG 21 -2.137 -12.174 4.028
172 HD2 ARG 21 HD2 ARG 21 -2.767 -14.422 3.439
173 HD3 ARG 21 HD3 ARG 21 -1.109 -14.421 4.037
174 HE ARG 21 HE ARG 21 -3.349 -15.157 5.809
175 HH11 ARG 21 HH11 ARG 21 -0.279 -15.908 4.301
176 HH12 ARG 21 HH12 ARG 21 -0.095 -17.428 5.127
177 HH21 ARG 21 HH21 ARG 21 -3.111 -17.140 6.905
178 HH22 ARG 21 HH22 ARG 21 -1.706 -18.121 6.617
179 H LYS 22 H LYS 22 0.621 -12.434 3.159
180 HA LYS 22 HA LYS 22 1.721 -15.115 3.417
181 HB2 LYS 22 HB2 LYS 22 0.704 -13.426 1.177
182 HB3 LYS 22 HB3 LYS 22 1.824 -14.720 0.823
183 HG2 LYS 22 HG2 LYS 22 0.305 -16.338 1.816
184 HG3 LYS 22 HG3 LYS 22 -0.808 -15.038 2.238
185 HD2 LYS 22 HD2 LYS 22 -1.108 -14.514 -0.128
186 HD3 LYS 22 HD3 LYS 22 0.031 -15.787 -0.560
187 HE2 LYS 22 HE2 LYS 22 -1.449 -17.462 0.406
188 HE3 LYS 22 HE3 LYS 22 -2.576 -16.199 0.895
189 HZ1 LYS 22 HZ1 LYS 22 -3.258 -17.320 -1.153
190 HZ2 LYS 22 HZ2 LYS 22 -1.827 -16.816 -1.913
191 HZ3 LYS 22 HZ3 LYS 22 -2.969 -15.669 -1.408
192 H TYR 23 H TYR 23 2.652 -12.107 1.683
193 HA TYR 23 HA TYR 23 5.443 -13.053 1.834
194 HB2 TYR 23 HB2 TYR 23 4.371 -11.063 -0.162
195 HB3 TYR 23 HB3 TYR 23 5.866 -11.987 -0.244
196 HD1 TYR 23 HD1 TYR 23 5.626 -14.563 -0.448
197 HD2 TYR 23 HD2 TYR 23 2.465 -11.834 -1.245
198 HE1 TYR 23 HE1 TYR 23 4.479 -16.288 -1.776
199 HE2 TYR 23 HE2 TYR 23 1.307 -13.550 -2.569
200 HH TYR 23 HH TYR 23 2.143 -16.815 -2.500
201 H ARG 24 H ARG 24 3.415 -10.791 3.157
202 HA ARG 24 HA ARG 24 3.675 -8.868 4.352
203 HB2 ARG 24 HB2 ARG 24 6.566 -9.724 4.250
204 HB3 ARG 24 HB3 ARG 24 6.054 -8.259 5.069
205 HG2 ARG 24 HG2 ARG 24 6.336 -10.057 6.653
206 HG3 ARG 24 HG3 ARG 24 4.634 -9.602 6.557
207 HD2 ARG 24 HD2 ARG 24 4.038 -11.535 5.470
208 HD3 ARG 24 HD3 ARG 24 5.655 -11.805 4.839
209 HE ARG 24 HE ARG 24 5.213 -12.057 7.725
210 HH11 ARG 24 HH11 ARG 24 5.781 -13.625 4.649
211 HH12 ARG 24 HH12 ARG 24 6.296 -15.116 5.358
212 HH21 ARG 24 HH21 ARG 24 5.889 -14.026 8.665
213 HH22 ARG 24 HH22 ARG 24 6.353 -15.357 7.634
214 H ARG 25 H ARG 25 4.085 -9.049 1.320
215 HA ARG 25 HA ARG 25 4.615 -6.323 0.739
216 HB2 ARG 25 HB2 ARG 25 6.909 -7.277 1.278
217 HB3 ARG 25 HB3 ARG 25 6.714 -8.325 -0.115
218 HG2 ARG 25 HG2 ARG 25 6.547 -6.318 -1.549
219 HG3 ARG 25 HG3 ARG 25 6.882 -5.323 -0.123
220 HD2 ARG 25 HD2 ARG 25 8.967 -6.638 0.215
221 HD3 ARG 25 HD3 ARG 25 8.653 -7.449 -1.315
222 HE ARG 25 HE ARG 25 8.679 -4.948 -2.145
223 HH11 ARG 25 HH11 ARG 25 10.798 -6.581 0.127
224 HH12 ARG 25 HH12 ARG 25 12.172 -5.572 -0.230
225 HH21 ARG 25 HH21 ARG 25 10.509 -3.617 -2.622
226 HH22 ARG 25 HH22 ARG 25 12.002 -3.896 -1.781
227 H PHE 26 H PHE 26 4.684 -6.053 -1.696
228 HA PHE 26 HA PHE 26 3.471 -8.351 -3.054
229 HB2 PHE 26 HB2 PHE 26 2.231 -6.754 -4.503
230 HB3 PHE 26 HB3 PHE 26 1.743 -6.689 -2.817
231 HD1 PHE 26 HD1 PHE 26 2.918 -4.803 -1.394
232 HD2 PHE 26 HD2 PHE 26 2.632 -4.808 -5.642
233 HE1 PHE 26 HE1 PHE 26 3.214 -2.358 -1.419
234 HE2 PHE 26 HE2 PHE 26 2.934 -2.370 -5.672
235 HZ PHE 26 HZ PHE 26 3.221 -1.140 -3.561
236 HA PRO 27 HA PRO 27 7.398 -7.462 -5.205
237 HB2 PRO 27 HB2 PRO 27 8.024 -10.055 -5.670
238 HB3 PRO 27 HB3 PRO 27 8.386 -9.250 -4.141
239 HG2 PRO 27 HG2 PRO 27 6.165 -11.124 -4.821
240 HG3 PRO 27 HG3 PRO 27 7.122 -11.007 -3.334
241 HD2 PRO 27 HD2 PRO 27 4.592 -9.979 -3.617
242 HD3 PRO 27 HD3 PRO 27 5.793 -9.357 -2.468
243 H LYS 28 H LYS 28 4.761 -9.633 -6.019
244 HA LYS 28 HA LYS 28 5.034 -8.840 -8.835
245 HB2 LYS 28 HB2 LYS 28 4.294 -11.581 -7.785
246 HB3 LYS 28 HB3 LYS 28 4.221 -11.100 -9.473
247 HG2 LYS 28 HG2 LYS 28 6.608 -10.807 -9.544
248 HG3 LYS 28 HG3 LYS 28 6.732 -11.121 -7.812
249 HD2 LYS 28 HD2 LYS 28 5.860 -13.390 -8.182
250 HD3 LYS 28 HD3 LYS 28 5.790 -13.068 -9.914
251 HE2 LYS 28 HE2 LYS 28 8.188 -12.782 -9.998
252 HE3 LYS 28 HE3 LYS 28 8.301 -12.962 -8.249
253 HZ1 LYS 28 HZ1 LYS 28 7.358 -15.067 -10.124
254 HZ2 LYS 28 HZ2 LYS 28 7.543 -15.231 -8.445
255 HZ3 LYS 28 HZ3 LYS 28 8.904 -14.997 -9.429
256 H SER 29 H SER 29 3.386 -7.462 -9.075
257 HA SER 29 HA SER 29 0.971 -7.655 -7.568
258 HB2 SER 29 HB2 SER 29 1.569 -5.961 -10.004
259 HB3 SER 29 HB3 SER 29 0.273 -5.698 -8.835
260 HG SER 29 HG SER 29 1.675 -4.560 -7.772
261 H THR 30 H THR 30 -0.169 -9.496 -7.983
262 HA THR 30 HA THR 30 -0.533 -10.701 -10.475
263 HB THR 30 HB THR 30 -2.675 -10.958 -8.423
264 HG1 THR 30 HG1 THR 30 -1.306 -12.053 -7.016
265 HG21 THR 30 HG21 THR 30 -2.642 -12.415 -10.370
266 HG22 THR 30 HG22 THR 30 -2.321 -13.346 -8.908
267 HG23 THR 30 HG23 THR 30 -0.996 -12.915 -9.986
268 H GLU 31 H GLU 31 -2.420 -8.256 -8.766
269 HA GLU 31 HA GLU 31 -4.394 -8.238 -10.926
270 HB2 GLU 31 HB2 GLU 31 -4.435 -6.738 -8.304
271 HB3 GLU 31 HB3 GLU 31 -5.746 -6.832 -9.470
272 HG2 GLU 31 HG2 GLU 31 -5.713 -9.338 -9.073
273 HG3 GLU 31 HG3 GLU 31 -4.683 -8.989 -7.685
274 H GLY 32 H GLY 32 -4.952 -6.317 -12.010
275 HA2 GLY 32 HA2 GLY 32 -2.855 -4.477 -12.531
276 HA3 GLY 32 HA3 GLY 32 -4.536 -4.289 -13.022
277 H ASN 33 H ASN 33 -5.287 -4.680 -10.132
278 HA ASN 33 HA ASN 33 -5.482 -2.000 -9.313
279 HB2 ASN 33 HB2 ASN 33 -5.702 -4.526 -7.657
280 HB3 ASN 33 HB3 ASN 33 -6.272 -2.935 -7.169
281 HD21 ASN 33 HD21 ASN 33 -7.659 -5.504 -7.568
282 HD22 ASN 33 HD22 ASN 33 -8.954 -5.145 -8.665
283 H LEU 34 H LEU 34 -3.518 -4.646 -7.960
284 HA LEU 34 HA LEU 34 -1.977 -2.915 -6.305
285 HB2 LEU 34 HB2 LEU 34 -1.518 -5.749 -7.206
286 HB3 LEU 34 HB3 LEU 34 -0.504 -4.917 -6.051
287 HG LEU 34 HG LEU 34 -3.455 -5.419 -5.631
288 HD11 LEU 34 HD11 LEU 34 -1.081 -6.940 -4.565
289 HD12 LEU 34 HD12 LEU 34 -2.264 -7.537 -5.727
290 HD13 LEU 34 HD13 LEU 34 -2.759 -7.174 -4.073
291 HD21 LEU 34 HD21 LEU 34 -1.266 -4.516 -3.762
292 HD22 LEU 34 HD22 LEU 34 -2.926 -4.889 -3.292
293 HD23 LEU 34 HD23 LEU 34 -2.597 -3.530 -4.368
294 H GLY 35 H GLY 35 -1.681 -4.143 -9.548
295 HA2 GLY 35 HA2 GLY 35 0.985 -3.418 -10.064
296 HA3 GLY 35 HA3 GLY 35 -0.300 -3.486 -11.267
297 H GLY 36 H GLY 36 -2.032 -1.602 -10.288
298 HA2 GLY 36 HA2 GLY 36 -0.742 0.836 -11.091
299 HA3 GLY 36 HA3 GLY 36 -2.415 0.662 -10.578
300 H TRP 37 H TRP 37 -1.688 -0.621 -8.053
301 HA TRP 37 HA TRP 37 -1.398 1.522 -6.300
302 HB2 TRP 37 HB2 TRP 37 -1.708 -1.236 -6.062
303 HB3 TRP 37 HB3 TRP 37 -0.153 -0.923 -5.298
304 HD1 TRP 37 HD1 TRP 37 -3.805 0.318 -5.078
305 HE1 TRP 37 HE1 TRP 37 -4.269 1.003 -2.654
306 HE3 TRP 37 HE3 TRP 37 0.869 -0.395 -3.099
307 HZ2 TRP 37 HZ2 TRP 37 -2.861 1.189 -0.208
308 HZ3 TRP 37 HZ3 TRP 37 1.211 0.041 -0.710
309 HH2 TRP 37 HH2 TRP 37 -0.616 0.821 0.706
310 H CYS 38 H CYS 38 1.030 -0.779 -7.477
311 HA CYS 38 HA CYS 38 3.241 0.422 -6.208
312 HB2 CYS 38 HB2 CYS 38 3.217 -1.895 -7.090
313 HB3 CYS 38 HB3 CYS 38 3.217 -1.251 -8.727
314 HG CYS 38 HG CYS 38 5.757 -2.043 -6.936
315 H HIS 39 H HIS 39 1.782 0.930 -9.393
316 HA HIS 39 HA HIS 39 3.929 2.522 -10.404
317 HB2 HIS 39 HB2 HIS 39 1.083 2.168 -11.344
318 HB3 HIS 39 HB3 HIS 39 2.275 3.128 -12.206
319 HD1 HIS 39 HD1 HIS 39 0.827 0.516 -13.280
320 HD2 HIS 39 HD2 HIS 39 4.695 0.748 -11.762
321 HE1 HIS 39 HE1 HIS 39 2.065 -1.446 -14.260
322 HE2 HIS 39 HE2 HIS 39 4.421 -1.254 -13.381
323 H THR 40 H THR 40 0.642 3.365 -9.301
324 HA THR 40 HA THR 40 0.910 6.126 -9.792
325 HB THR 40 HB THR 40 -0.939 4.882 -7.753
326 HG1 THR 40 HG1 THR 40 -1.569 3.750 -9.455
327 HG21 THR 40 HG21 THR 40 -2.428 6.722 -8.400
328 HG22 THR 40 HG22 THR 40 -1.208 7.315 -9.529
329 HG23 THR 40 HG23 THR 40 -0.888 7.329 -7.793
330 H GLN 41 H GLN 41 1.464 4.163 -6.912
331 HA GLN 41 HA GLN 41 1.969 6.499 -5.295
332 HB2 GLN 41 HB2 GLN 41 1.819 3.565 -4.783
333 HB3 GLN 41 HB3 GLN 41 2.614 4.606 -3.607
334 HG2 GLN 41 HG2 GLN 41 0.690 5.620 -2.986
335 HG3 GLN 41 HG3 GLN 41 -0.033 5.478 -4.585
336 HE21 GLN 41 HE21 GLN 41 -1.214 3.688 -5.092
337 HE22 GLN 41 HE22 GLN 41 -1.654 2.491 -3.931
338 H ARG 42 H ARG 42 3.782 4.560 -7.370
339 HA ARG 42 HA ARG 42 6.352 4.655 -6.216
340 HB2 ARG 42 HB2 ARG 42 5.578 3.406 -8.313
341 HB3 ARG 42 HB3 ARG 42 5.744 4.936 -9.159
342 HG2 ARG 42 HG2 ARG 42 7.718 3.748 -9.585
343 HG3 ARG 42 HG3 ARG 42 8.147 4.959 -8.373
344 HD2 ARG 42 HD2 ARG 42 8.174 3.361 -6.644
345 HD3 ARG 42 HD3 ARG 42 7.344 2.163 -7.636
346 HE ARG 42 HE ARG 42 10.121 3.058 -8.106
347 HH11 ARG 42 HH11 ARG 42 7.657 0.557 -8.088
348 HH12 ARG 42 HH12 ARG 42 8.739 -0.681 -8.644
349 HH21 ARG 42 HH21 ARG 42 11.525 1.418 -8.855
350 HH22 ARG 42 HH22 ARG 42 10.918 -0.195 -9.089
351 H LYS 43 H LYS 43 4.464 6.886 -8.084
352 HA LYS 43 HA LYS 43 6.461 8.889 -8.386
353 HB2 LYS 43 HB2 LYS 43 4.737 8.855 -9.989
354 HB3 LYS 43 HB3 LYS 43 3.479 8.774 -8.766
355 HG2 LYS 43 HG2 LYS 43 3.939 11.077 -8.134
356 HG3 LYS 43 HG3 LYS 43 5.221 11.156 -9.349
357 HD2 LYS 43 HD2 LYS 43 3.664 10.880 -11.122
358 HD3 LYS 43 HD3 LYS 43 2.361 10.477 -9.999
359 HE2 LYS 43 HE2 LYS 43 2.248 12.676 -9.181
360 HE3 LYS 43 HE3 LYS 43 3.784 13.107 -9.922
361 HZ1 LYS 43 HZ1 LYS 43 1.272 12.469 -11.379
362 HZ2 LYS 43 HZ2 LYS 43 2.745 12.900 -12.101
363 HZ3 LYS 43 HZ3 LYS 43 1.909 14.021 -11.145
364 H MET 44 H MET 44 3.549 8.691 -6.356
365 HA MET 44 HA MET 44 3.861 11.066 -4.943
366 HB2 MET 44 HB2 MET 44 2.673 8.546 -3.771
367 HB3 MET 44 HB3 MET 44 2.254 10.213 -3.398
368 HG2 MET 44 HG2 MET 44 1.694 8.714 -5.937
369 HG3 MET 44 HG3 MET 44 0.527 9.287 -4.744
370 HE1 MET 44 HE1 MET 44 0.918 9.702 -8.027
371 HE2 MET 44 HE2 MET 44 0.238 11.319 -8.217
372 HE3 MET 44 HE3 MET 44 -0.579 10.131 -7.200
373 H ARG 45 H ARG 45 5.212 7.846 -4.224
374 HA ARG 45 HA ARG 45 6.165 8.527 -1.648
375 HB2 ARG 45 HB2 ARG 45 7.616 6.568 -1.811
376 HB3 ARG 45 HB3 ARG 45 5.989 6.199 -2.345
377 HG2 ARG 45 HG2 ARG 45 6.633 6.112 -4.604
378 HG3 ARG 45 HG3 ARG 45 8.191 6.866 -4.264
379 HD2 ARG 45 HD2 ARG 45 7.467 4.255 -2.998
380 HD3 ARG 45 HD3 ARG 45 8.069 4.304 -4.654
381 HE ARG 45 HE ARG 45 9.972 5.676 -3.507
382 HH11 ARG 45 HH11 ARG 45 8.364 2.845 -2.195
383 HH12 ARG 45 HH12 ARG 45 9.773 2.295 -1.340
384 HH21 ARG 45 HH21 ARG 45 11.803 4.952 -2.411
385 HH22 ARG 45 HH22 ARG 45 11.731 3.492 -1.468
386 H LYS 46 H LYS 46 7.492 8.950 -4.844
387 HA LYS 46 HA LYS 46 10.099 9.774 -3.983
388 HB2 LYS 46 HB2 LYS 46 9.553 8.825 -6.253
389 HB3 LYS 46 HB3 LYS 46 8.713 10.323 -6.620
390 HG2 LYS 46 HG2 LYS 46 11.585 10.366 -5.794
391 HG3 LYS 46 HG3 LYS 46 11.134 9.967 -7.449
392 HD2 LYS 46 HD2 LYS 46 10.319 12.491 -6.010
393 HD3 LYS 46 HD3 LYS 46 11.690 12.366 -7.112
394 HE2 LYS 46 HE2 LYS 46 10.124 11.660 -8.902
395 HE3 LYS 46 HE3 LYS 46 8.783 11.918 -7.786
396 HZ1 LYS 46 HZ1 LYS 46 9.454 14.258 -7.614
397 HZ2 LYS 46 HZ2 LYS 46 9.068 13.830 -9.209
398 HZ3 LYS 46 HZ3 LYS 46 10.690 13.988 -8.745
399 H GLN 47 H GLN 47 7.133 11.364 -4.976
400 HA GLN 47 HA GLN 47 8.149 14.019 -4.836
401 HB2 GLN 47 HB2 GLN 47 5.355 12.893 -4.959
402 HB3 GLN 47 HB3 GLN 47 5.691 14.615 -4.980
403 HG2 GLN 47 HG2 GLN 47 7.066 14.269 -7.013
404 HG3 GLN 47 HG3 GLN 47 6.572 12.577 -7.006
405 HE21 GLN 47 HE21 GLN 47 3.882 13.238 -6.058
406 HE22 GLN 47 HE22 GLN 47 3.041 13.892 -7.421
407 H GLY 48 H GLY 48 6.711 11.853 -2.531
408 HA2 GLY 48 HA2 GLY 48 6.510 12.159 -0.218
409 HA3 GLY 48 HA3 GLY 48 6.899 13.866 -0.434
410 H LYS 49 H LYS 49 4.523 12.175 -2.319
411 HA LYS 49 HA LYS 49 2.453 13.986 -1.282
412 HB2 LYS 49 HB2 LYS 49 2.551 12.369 -3.836
413 HB3 LYS 49 HB3 LYS 49 1.227 13.417 -3.354
414 HG2 LYS 49 HG2 LYS 49 4.016 14.456 -3.687
415 HG3 LYS 49 HG3 LYS 49 2.907 14.309 -5.048
416 HD2 LYS 49 HD2 LYS 49 2.732 16.526 -4.277
417 HD3 LYS 49 HD3 LYS 49 1.278 15.702 -3.724
418 HE2 LYS 49 HE2 LYS 49 2.307 15.416 -1.509
419 HE3 LYS 49 HE3 LYS 49 3.729 16.292 -2.070
420 HZ1 LYS 49 HZ1 LYS 49 2.350 18.241 -2.425
421 HZ2 LYS 49 HZ2 LYS 49 2.235 17.717 -0.818
422 HZ3 LYS 49 HZ3 LYS 49 0.974 17.392 -1.907
423 H LEU 50 H LEU 50 3.542 10.870 -1.030
424 HA LEU 50 HA LEU 50 1.164 9.362 -1.008
425 HB2 LEU 50 HB2 LEU 50 3.957 9.038 -0.329
426 HB3 LEU 50 HB3 LEU 50 2.949 8.248 0.861
427 HG LEU 50 HG LEU 50 2.965 7.714 -2.109
428 HD11 LEU 50 HD11 LEU 50 3.875 6.057 0.241
429 HD12 LEU 50 HD12 LEU 50 4.919 6.854 -0.938
430 HD13 LEU 50 HD13 LEU 50 3.859 5.539 -1.445
431 HD21 LEU 50 HD21 LEU 50 1.372 6.394 0.084
432 HD22 LEU 50 HD22 LEU 50 1.432 5.883 -1.603
433 HD23 LEU 50 HD23 LEU 50 0.724 7.442 -1.175
434 HA PRO 51 HA PRO 51 -0.538 10.901 2.804
435 HB2 PRO 51 HB2 PRO 51 -2.444 9.023 3.217
436 HB3 PRO 51 HB3 PRO 51 -2.592 10.288 1.992
437 HG2 PRO 51 HG2 PRO 51 -1.815 7.424 1.675
438 HG3 PRO 51 HG3 PRO 51 -2.834 8.434 0.634
439 HD2 PRO 51 HD2 PRO 51 -0.213 7.863 0.102
440 HD3 PRO 51 HD3 PRO 51 -1.036 9.328 -0.458
441 H ASN 52 H ASN 52 -0.341 10.586 4.937
442 HA ASN 52 HA ASN 52 1.575 8.720 5.863
443 HB2 ASN 52 HB2 ASN 52 1.404 10.844 6.956
444 HB3 ASN 52 HB3 ASN 52 -0.305 10.605 7.292
445 HD21 ASN 52 HD21 ASN 52 -0.927 9.437 9.033
446 HD22 ASN 52 HD22 ASN 52 0.176 8.839 10.226
447 H ASP 53 H ASP 53 -1.910 8.768 5.782
448 HA ASP 53 HA ASP 53 -2.465 6.664 7.536
449 HB2 ASP 53 HB2 ASP 53 -3.891 7.622 5.059
450 HB3 ASP 53 HB3 ASP 53 -4.515 6.318 6.065
451 H ARG 54 H ARG 54 -1.905 6.582 4.025
452 HA ARG 54 HA ARG 54 -2.174 3.833 3.648
453 HB2 ARG 54 HB2 ARG 54 -2.130 5.413 1.799
454 HB3 ARG 54 HB3 ARG 54 -0.476 5.856 2.171
455 HG2 ARG 54 HG2 ARG 54 -1.166 3.043 1.412
456 HG3 ARG 54 HG3 ARG 54 -0.961 4.285 0.181
457 HD2 ARG 54 HD2 ARG 54 1.300 4.738 1.369
458 HD3 ARG 54 HD3 ARG 54 1.059 3.143 2.076
459 HE ARG 54 HE ARG 54 0.691 2.902 -0.671
460 HH11 ARG 54 HH11 ARG 54 3.273 3.721 1.555
461 HH12 ARG 54 HH12 ARG 54 4.534 3.139 0.514
462 HH21 ARG 54 HH21 ARG 54 2.348 2.112 -2.030
463 HH22 ARG 54 HH22 ARG 54 4.002 2.207 -1.513
464 H ARG 55 H ARG 55 0.594 5.775 4.612
465 HA ARG 55 HA ARG 55 2.547 3.736 4.599
466 HB2 ARG 55 HB2 ARG 55 3.107 6.123 4.739
467 HB3 ARG 55 HB3 ARG 55 2.350 6.213 6.322
468 HG2 ARG 55 HG2 ARG 55 4.068 4.330 6.914
469 HG3 ARG 55 HG3 ARG 55 4.938 4.982 5.524
470 HD2 ARG 55 HD2 ARG 55 4.644 7.256 6.600
471 HD3 ARG 55 HD3 ARG 55 4.132 6.398 8.046
472 HE ARG 55 HE ARG 55 6.760 5.876 6.831
473 HH11 ARG 55 HH11 ARG 55 4.792 6.772 9.596
474 HH12 ARG 55 HH12 ARG 55 6.142 6.798 10.698
475 HH21 ARG 55 HH21 ARG 55 8.509 5.889 8.260
476 HH22 ARG 55 HH22 ARG 55 8.263 6.292 9.938
477 H LEU 56 H LEU 56 0.479 5.033 7.162
478 HA LEU 56 HA LEU 56 1.499 3.417 9.227
479 HB2 LEU 56 HB2 LEU 56 0.065 5.593 9.282
480 HB3 LEU 56 HB3 LEU 56 -1.303 4.504 9.206
481 HG LEU 56 HG LEU 56 0.796 4.325 11.363
482 HD11 LEU 56 HD11 LEU 56 -0.216 6.538 11.438
483 HD12 LEU 56 HD12 LEU 56 -0.755 5.551 12.796
484 HD13 LEU 56 HD13 LEU 56 -1.823 5.817 11.419
485 HD21 LEU 56 HD21 LEU 56 -2.037 3.299 11.206
486 HD22 LEU 56 HD22 LEU 56 -0.932 3.103 12.567
487 HD23 LEU 56 HD23 LEU 56 -0.577 2.325 11.025
488 H LEU 57 H LEU 57 -1.237 3.051 7.019
489 HA LEU 57 HA LEU 57 -2.458 0.802 8.092
490 HB2 LEU 57 HB2 LEU 57 -2.114 1.517 5.181
491 HB3 LEU 57 HB3 LEU 57 -3.241 0.327 5.796
492 HG LEU 57 HG LEU 57 -3.314 3.292 6.351
493 HD11 LEU 57 HD11 LEU 57 -5.376 3.243 5.047
494 HD12 LEU 57 HD12 LEU 57 -5.135 1.527 4.722
495 HD13 LEU 57 HD13 LEU 57 -3.996 2.714 4.085
496 HD21 LEU 57 HD21 LEU 57 -4.085 1.977 8.267
497 HD22 LEU 57 HD22 LEU 57 -5.217 1.124 7.219
498 HD23 LEU 57 HD23 LEU 57 -5.405 2.856 7.495
499 H LEU 58 H LEU 58 0.334 1.029 5.953
500 HA LEU 58 HA LEU 58 0.650 -1.714 5.439
501 HB2 LEU 58 HB2 LEU 58 2.719 0.478 5.572
502 HB3 LEU 58 HB3 LEU 58 3.002 -1.122 4.910
503 HG LEU 58 HG LEU 58 1.081 0.934 3.821
504 HD11 LEU 58 HD11 LEU 58 2.595 0.959 1.896
505 HD12 LEU 58 HD12 LEU 58 3.686 -0.133 2.751
506 HD13 LEU 58 HD13 LEU 58 3.397 1.492 3.373
507 HD21 LEU 58 HD21 LEU 58 1.769 -1.806 2.777
508 HD22 LEU 58 HD22 LEU 58 0.709 -0.626 2.000
509 HD23 LEU 58 HD23 LEU 58 0.248 -1.351 3.542
510 H ASP 59 H ASP 59 2.013 0.353 7.976
511 HA ASP 59 HA ASP 59 3.534 -1.681 9.225
512 HB2 ASP 59 HB2 ASP 59 4.051 0.616 9.719
513 HB3 ASP 59 HB3 ASP 59 2.411 0.920 10.288
514 H LYS 60 H LYS 60 0.190 -0.701 9.466
515 HA LYS 60 HA LYS 60 -0.385 -1.923 11.937
516 HB2 LYS 60 HB2 LYS 60 -1.604 -0.049 10.869
517 HB3 LYS 60 HB3 LYS 60 -2.192 -1.163 9.647
518 HG2 LYS 60 HG2 LYS 60 -2.885 -2.334 12.063
519 HG3 LYS 60 HG3 LYS 60 -3.213 -0.607 12.267
520 HD2 LYS 60 HD2 LYS 60 -5.164 -1.397 11.315
521 HD3 LYS 60 HD3 LYS 60 -4.284 -0.771 9.931
522 HE2 LYS 60 HE2 LYS 60 -5.051 -2.845 9.211
523 HE3 LYS 60 HE3 LYS 60 -3.385 -3.143 9.677
524 HZ1 LYS 60 HZ1 LYS 60 -5.805 -3.785 11.263
525 HZ2 LYS 60 HZ2 LYS 60 -4.228 -3.911 11.857
526 HZ3 LYS 60 HZ3 LYS 60 -4.722 -4.886 10.561
527 H ILE 61 H ILE 61 -0.613 -2.989 8.567
528 HA ILE 61 HA ILE 61 -1.742 -5.537 9.348
529 HB ILE 61 HB ILE 61 -1.469 -6.141 6.930
530 HG12 ILE 61 HG12 ILE 61 -0.638 -3.242 6.683
531 HG13 ILE 61 HG13 ILE 61 0.393 -4.637 6.388
532 HG21 ILE 61 HG21 ILE 61 -3.564 -5.295 7.812
533 HG22 ILE 61 HG22 ILE 61 -3.297 -4.709 6.172
534 HG23 ILE 61 HG23 ILE 61 -3.027 -3.635 7.545
535 HD11 ILE 61 HD11 ILE 61 -0.420 -3.629 4.315
536 HD12 ILE 61 HD12 ILE 61 -2.081 -3.941 4.822
537 HD13 ILE 61 HD13 ILE 61 -0.988 -5.288 4.508
538 H GLY 62 H GLY 62 1.417 -4.229 8.673
539 HA2 GLY 62 HA2 GLY 62 3.291 -5.381 9.714
540 HA3 GLY 62 HA3 GLY 62 2.523 -6.901 9.274
541 H PHE 63 H PHE 63 2.799 -4.133 7.148
542 HA PHE 63 HA PHE 63 4.037 -5.668 5.084
543 HB2 PHE 63 HB2 PHE 63 2.473 -3.814 4.619
544 HB3 PHE 63 HB3 PHE 63 3.607 -2.676 5.330
545 HD1 PHE 63 HD2 PHE 63 2.995 -4.911 2.472
546 HD2 PHE 63 HD1 PHE 63 5.461 -1.850 4.101
547 HE1 PHE 63 HE2 PHE 63 4.031 -4.578 0.266
548 HE2 PHE 63 HE1 PHE 63 6.501 -1.512 1.899
549 HZ PHE 63 HZ PHE 63 5.787 -2.876 -0.021
550 H VAL 64 H VAL 64 6.125 -5.794 4.493
551 HA VAL 64 HA VAL 64 8.058 -4.672 6.352
552 HB VAL 64 HB VAL 64 8.141 -7.088 5.847
553 HG11 VAL 64 HG11 VAL 64 9.028 -7.851 3.680
554 HG12 VAL 64 HG12 VAL 64 8.883 -6.204 3.064
555 HG13 VAL 64 HG13 VAL 64 7.440 -7.097 3.541
556 HG21 VAL 64 HG21 VAL 64 10.570 -7.205 5.444
557 HG22 VAL 64 HG22 VAL 64 10.132 -5.975 6.627
558 HG23 VAL 64 HG23 VAL 64 10.553 -5.504 4.982
559 H TRP 65 H TRP 65 9.316 -3.038 5.888
560 HA TRP 65 HA TRP 65 9.101 -1.788 3.253
561 HB2 TRP 65 HB2 TRP 65 10.286 -0.814 5.864
562 HB3 TRP 65 HB3 TRP 65 10.238 0.133 4.382
563 HD1 TRP 65 HD1 TRP 65 7.863 -1.362 7.028
564 HE1 TRP 65 HE1 TRP 65 5.680 -0.005 7.010
565 HE3 TRP 65 HE3 TRP 65 8.829 1.678 3.029
566 HZ2 TRP 65 HZ2 TRP 65 4.523 2.089 5.507
567 HZ3 TRP 65 HZ3 TRP 65 7.132 3.334 2.370
568 HH2 TRP 65 HH2 TRP 65 5.023 3.535 3.582
569 H SER 66 H SER 66 10.603 -4.197 3.543
570 HA SER 66 HA SER 66 12.532 -5.149 2.829
571 HB2 SER 66 HB2 SER 66 13.547 -2.337 2.344
572 HB3 SER 66 HB3 SER 66 14.293 -3.826 1.764
573 HG SER 66 HG SER 66 11.610 -3.450 1.146
574 H LEU 67 H LEU 67 13.113 -2.264 4.829
575 HA LEU 67 HA LEU 67 14.640 -4.003 6.645
576 HB2 LEU 67 HB2 LEU 67 16.164 -2.238 7.180
577 HB3 LEU 67 HB3 LEU 67 16.156 -2.437 5.440
578 HG LEU 67 HG LEU 67 14.508 -0.304 6.782
579 HD11 LEU 67 HD11 LEU 67 16.811 -0.001 7.508
580 HD12 LEU 67 HD12 LEU 67 16.341 1.254 6.362
581 HD13 LEU 67 HD13 LEU 67 17.362 -0.086 5.835
582 HD21 LEU 67 HD21 LEU 67 14.690 0.784 4.603
583 HD22 LEU 67 HD22 LEU 67 13.982 -0.824 4.448
584 HD23 LEU 67 HD23 LEU 67 15.668 -0.555 4.005
585 H GLU 68 H GLU 68 14.574 -3.342 8.875
586 HA GLU 68 HA GLU 68 12.134 -1.847 9.552
587 HB2 GLU 68 HB2 GLU 68 12.083 -4.117 10.391
588 HB3 GLU 68 HB3 GLU 68 13.693 -3.951 11.075
589 HG2 GLU 68 HG2 GLU 68 12.406 -1.950 12.353
590 HG3 GLU 68 HG3 GLU 68 11.090 -3.104 12.134
591 H HIS 69 H HIS 69 14.866 -2.612 11.604
592 HA HIS 69 HA HIS 69 16.008 0.037 11.512
593 HB2 HIS 69 HB2 HIS 69 14.689 -1.003 14.044
594 HB3 HIS 69 HB3 HIS 69 15.806 0.352 13.995
595 HD1 HIS 69 HD1 HIS 69 14.887 2.387 12.310
596 HD2 HIS 69 HD2 HIS 69 12.109 -0.252 13.931
597 HE1 HIS 69 HE1 HIS 69 12.669 3.566 12.174
598 HE2 HIS 69 HE2 HIS 69 11.053 2.040 13.364
599 H HIS 70 H HIS 70 17.667 -0.011 13.583
600 HA HIS 70 HA HIS 70 19.010 -2.619 13.486
601 HB2 HIS 70 HB2 HIS 70 19.980 0.023 14.625
602 HB3 HIS 70 HB3 HIS 70 20.930 -1.457 14.517
603 HD1 HIS 70 HD1 HIS 70 21.873 -2.103 12.213
604 HD2 HIS 70 HD2 HIS 70 19.646 1.414 12.210
605 HE1 HIS 70 HE1 HIS 70 22.297 -1.023 9.974
606 HE2 HIS 70 HE2 HIS 70 21.002 1.144 10.022
607 H HIS 71 H HIS 71 16.954 -3.207 14.696
608 HA HIS 71 HA HIS 71 16.753 -2.156 17.405
609 HB2 HIS 71 HB2 HIS 71 14.762 -2.263 15.918
610 HB3 HIS 71 HB3 HIS 71 14.902 -4.014 15.894
611 HD1 HIS 71 HD1 HIS 71 13.532 -5.203 17.576
612 HD2 HIS 71 HD2 HIS 71 14.298 -1.264 18.682
613 HE1 HIS 71 HE1 HIS 71 12.198 -4.813 19.670
614 HE2 HIS 71 HE2 HIS 71 12.517 -2.371 20.199
615 H HIS 72 H HIS 72 16.720 -5.383 15.852
616 HA HIS 72 HA HIS 72 17.860 -6.446 18.343
617 HB2 HIS 72 HB2 HIS 72 15.438 -6.812 18.418
618 HB3 HIS 72 HB3 HIS 72 15.501 -7.616 16.855
619 HD1 HIS 72 HD1 HIS 72 15.806 -10.077 16.890
620 HD2 HIS 72 HD2 HIS 72 16.878 -8.316 20.502
621 HE1 HIS 72 HE1 HIS 72 16.287 -11.985 18.461
622 HE2 HIS 72 HE2 HIS 72 16.774 -10.895 20.680
623 H HIS 73 H HIS 73 19.730 -6.207 16.815
624 HA HIS 73 HA HIS 73 20.828 -8.670 16.501
625 HB2 HIS 73 HB2 HIS 73 19.153 -8.852 14.548
626 HB3 HIS 73 HB3 HIS 73 20.200 -7.707 13.713
627 HD1 HIS 73 HD1 HIS 73 20.261 -11.187 15.193
628 HD2 HIS 73 HD2 HIS 73 22.451 -8.804 12.578
629 HE1 HIS 73 HE1 HIS 73 21.974 -12.706 14.164
630 HE2 HIS 73 HE2 HIS 73 23.148 -11.297 12.443
631 H HIS 74 H HIS 74 21.063 -6.294 13.906
632 HA HIS 74 HA HIS 74 23.112 -4.706 14.971
633 HB2 HIS 74 HB2 HIS 74 24.011 -7.278 14.122
634 HB3 HIS 74 HB3 HIS 74 24.602 -6.090 12.965
635 HD1 HIS 74 HD1 HIS 74 24.460 -6.408 16.757
636 HD2 HIS 74 HD2 HIS 74 26.962 -5.036 13.737
637 HE1 HIS 74 HE1 HIS 74 26.559 -5.643 17.911
638 HE2 HIS 74 HE2 HIS 74 28.118 -4.978 16.052
Start of MODEL 3
1 H1 MET 1 H1 MET 1 -17.473 -6.094 -2.684
2 H2 MET 1 H2 MET 1 -17.576 -7.117 -1.336
3 H3 MET 1 H3 MET 1 -16.493 -5.808 -1.331
4 HA MET 1 HA MET 1 -19.448 -5.616 -1.416
5 HB2 MET 1 HB2 MET 1 -18.648 -6.326 0.775
6 HB3 MET 1 HB3 MET 1 -17.458 -5.032 0.787
7 HG2 MET 1 HG2 MET 1 -19.274 -3.381 0.793
8 HG3 MET 1 HG3 MET 1 -20.450 -4.692 0.841
9 HE1 MET 1 HE1 MET 1 -19.102 -6.791 2.762
10 HE2 MET 1 HE2 MET 1 -20.792 -6.311 2.908
11 HE3 MET 1 HE3 MET 1 -19.750 -6.311 4.331
12 H ASN 2 H ASN 2 -20.228 -3.727 -2.062
13 HA ASN 2 HA ASN 2 -20.436 -1.555 -2.627
14 HB2 ASN 2 HB2 ASN 2 -19.458 -1.127 -0.386
15 HB3 ASN 2 HB3 ASN 2 -17.857 -1.099 -1.118
16 HD21 ASN 2 HD21 ASN 2 -20.773 0.196 -2.575
17 HD22 ASN 2 HD22 ASN 2 -20.291 1.853 -2.496
18 H GLN 3 H GLN 3 -16.885 -1.784 -2.668
19 HA GLN 3 HA GLN 3 -15.351 -1.265 -4.252
20 HB2 GLN 3 HB2 GLN 3 -17.458 -2.548 -5.979
21 HB3 GLN 3 HB3 GLN 3 -15.917 -2.004 -6.627
22 HG2 GLN 3 HG2 GLN 3 -14.849 -3.483 -4.842
23 HG3 GLN 3 HG3 GLN 3 -16.454 -4.193 -4.656
24 HE21 GLN 3 HE21 GLN 3 -17.320 -5.407 -6.328
25 HE22 GLN 3 HE22 GLN 3 -16.365 -5.985 -7.653
26 H ASN 4 H ASN 4 -17.129 0.830 -3.481
27 HA ASN 4 HA ASN 4 -17.982 2.406 -5.626
28 HB2 ASN 4 HB2 ASN 4 -18.527 2.712 -3.200
29 HB3 ASN 4 HB3 ASN 4 -16.894 3.310 -2.951
30 HD21 ASN 4 HD21 ASN 4 -19.685 4.436 -2.744
31 HD22 ASN 4 HD22 ASN 4 -19.586 5.943 -3.594
32 H LEU 5 H LEU 5 -16.952 4.049 -6.775
33 HA LEU 5 HA LEU 5 -14.302 3.795 -7.530
34 HB2 LEU 5 HB2 LEU 5 -16.051 6.264 -7.538
35 HB3 LEU 5 HB3 LEU 5 -14.508 6.154 -8.355
36 HG LEU 5 HG LEU 5 -15.482 4.281 -9.740
37 HD11 LEU 5 HD11 LEU 5 -17.335 3.640 -8.322
38 HD12 LEU 5 HD12 LEU 5 -17.929 4.164 -9.897
39 HD13 LEU 5 HD13 LEU 5 -18.058 5.239 -8.503
40 HD21 LEU 5 HD21 LEU 5 -15.228 6.569 -10.562
41 HD22 LEU 5 HD22 LEU 5 -16.825 6.970 -9.930
42 HD23 LEU 5 HD23 LEU 5 -16.662 5.788 -11.230
43 H GLN 6 H GLN 6 -15.757 5.776 -5.018
44 HA GLN 6 HA GLN 6 -13.144 6.803 -4.195
45 HB2 GLN 6 HB2 GLN 6 -15.954 7.447 -3.290
46 HB3 GLN 6 HB3 GLN 6 -14.508 8.188 -2.621
47 HG2 GLN 6 HG2 GLN 6 -13.965 9.150 -4.771
48 HG3 GLN 6 HG3 GLN 6 -15.349 8.343 -5.505
49 HE21 GLN 6 HE21 GLN 6 -16.217 10.316 -6.167
50 HE22 GLN 6 HE22 GLN 6 -16.965 11.407 -5.053
51 H GLY 7 H GLY 7 -14.362 3.973 -3.779
52 HA2 GLY 7 HA2 GLY 7 -13.568 3.798 -0.955
53 HA3 GLY 7 HA3 GLY 7 -15.119 3.125 -1.439
54 H GLU 8 H GLU 8 -12.339 3.016 -3.545
55 HA GLU 8 HA GLU 8 -12.478 0.132 -3.530
56 HB2 GLU 8 HB2 GLU 8 -12.208 1.358 -5.652
57 HB3 GLU 8 HB3 GLU 8 -10.654 1.965 -5.095
58 HG2 GLU 8 HG2 GLU 8 -9.770 -0.291 -5.024
59 HG3 GLU 8 HG3 GLU 8 -11.329 -0.938 -5.512
60 H TRP 9 H TRP 9 -10.746 2.520 -1.884
61 HA TRP 9 HA TRP 9 -8.239 1.333 -1.499
62 HB2 TRP 9 HB2 TRP 9 -9.383 3.638 -0.644
63 HB3 TRP 9 HB3 TRP 9 -9.471 2.692 0.834
64 HD1 TRP 9 HD1 TRP 9 -7.447 5.251 -0.368
65 HE1 TRP 9 HE1 TRP 9 -4.991 5.105 0.386
66 HE3 TRP 9 HE3 TRP 9 -7.301 0.324 1.049
67 HZ2 TRP 9 HZ2 TRP 9 -3.238 3.182 1.428
68 HZ3 TRP 9 HZ3 TRP 9 -5.177 -0.585 1.904
69 HH2 TRP 9 HH2 TRP 9 -3.191 0.822 2.091
70 H MET 10 H MET 10 -11.128 1.207 0.578
71 HA MET 10 HA MET 10 -10.264 -0.729 2.377
72 HB2 MET 10 HB2 MET 10 -12.319 0.602 2.649
73 HB3 MET 10 HB3 MET 10 -13.071 -0.294 1.340
74 HG2 MET 10 HG2 MET 10 -12.869 -2.357 2.667
75 HG3 MET 10 HG3 MET 10 -12.183 -1.412 3.988
76 HE1 MET 10 HE1 MET 10 -15.187 0.941 4.911
77 HE2 MET 10 HE2 MET 10 -13.925 1.279 3.725
78 HE3 MET 10 HE3 MET 10 -13.513 0.513 5.260
79 H LYS 11 H LYS 11 -11.546 -1.066 -0.839
80 HA LYS 11 HA LYS 11 -12.136 -3.824 -0.706
81 HB2 LYS 11 HB2 LYS 11 -13.010 -2.088 -2.367
82 HB3 LYS 11 HB3 LYS 11 -11.482 -2.271 -3.210
83 HG2 LYS 11 HG2 LYS 11 -13.338 -4.573 -2.672
84 HG3 LYS 11 HG3 LYS 11 -13.439 -3.573 -4.117
85 HD2 LYS 11 HD2 LYS 11 -11.067 -5.218 -3.246
86 HD3 LYS 11 HD3 LYS 11 -12.177 -5.601 -4.563
87 HE2 LYS 11 HE2 LYS 11 -11.487 -3.584 -5.743
88 HE3 LYS 11 HE3 LYS 11 -10.398 -3.172 -4.421
89 HZ1 LYS 11 HZ1 LYS 11 -10.196 -5.499 -6.248
90 HZ2 LYS 11 HZ2 LYS 11 -9.245 -5.320 -4.854
91 HZ3 LYS 11 HZ3 LYS 11 -9.125 -4.189 -6.122
92 H ASN 12 H ASN 12 -9.371 -2.044 -2.138
93 HA ASN 12 HA ASN 12 -8.022 -4.495 -2.806
94 HB2 ASN 12 HB2 ASN 12 -6.341 -3.169 -3.789
95 HB3 ASN 12 HB3 ASN 12 -7.844 -2.329 -4.113
96 HD21 ASN 12 HD21 ASN 12 -8.199 -0.337 -3.213
97 HD22 ASN 12 HD22 ASN 12 -6.972 0.547 -2.384
98 H TYR 13 H TYR 13 -8.104 -2.377 -0.112
99 HA TYR 13 HA TYR 13 -5.747 -2.874 1.226
100 HB2 TYR 13 HB2 TYR 13 -7.380 -1.375 2.160
101 HB3 TYR 13 HB3 TYR 13 -8.577 -2.657 2.275
102 HD1 TYR 13 HD1 TYR 13 -5.273 -1.589 3.630
103 HD2 TYR 13 HD2 TYR 13 -8.815 -3.866 4.251
104 HE1 TYR 13 HE1 TYR 13 -4.597 -1.996 5.958
105 HE2 TYR 13 HE2 TYR 13 -8.145 -4.283 6.581
106 HH TYR 13 HH TYR 13 -5.997 -4.338 7.909
107 H GLU 14 H GLU 14 -8.631 -4.900 1.032
108 HA GLU 14 HA GLU 14 -7.768 -6.958 2.742
109 HB2 GLU 14 HB2 GLU 14 -9.730 -6.916 0.452
110 HB3 GLU 14 HB3 GLU 14 -9.470 -8.335 1.459
111 HG2 GLU 14 HG2 GLU 14 -10.245 -5.670 2.603
112 HG3 GLU 14 HG3 GLU 14 -11.433 -6.849 2.048
113 H GLU 15 H GLU 15 -7.274 -6.408 -0.707
114 HA GLU 15 HA GLU 15 -6.184 -8.934 -1.316
115 HB2 GLU 15 HB2 GLU 15 -6.104 -6.256 -2.627
116 HB3 GLU 15 HB3 GLU 15 -4.970 -7.485 -3.166
117 HG2 GLU 15 HG2 GLU 15 -6.840 -7.600 -4.594
118 HG3 GLU 15 HG3 GLU 15 -6.929 -8.998 -3.528
119 H LEU 16 H LEU 16 -4.667 -5.915 -0.220
120 HA LEU 16 HA LEU 16 -2.014 -7.042 -0.475
121 HB2 LEU 16 HB2 LEU 16 -2.790 -4.525 -0.656
122 HB3 LEU 16 HB3 LEU 16 -2.591 -4.549 1.086
123 HG LEU 16 HG LEU 16 -0.370 -5.378 -0.778
124 HD11 LEU 16 HD11 LEU 16 -1.006 -3.131 -1.402
125 HD12 LEU 16 HD12 LEU 16 0.527 -3.111 -0.531
126 HD13 LEU 16 HD13 LEU 16 -0.959 -2.623 0.287
127 HD21 LEU 16 HD21 LEU 16 -0.147 -6.032 1.573
128 HD22 LEU 16 HD22 LEU 16 -0.364 -4.352 2.061
129 HD23 LEU 16 HD23 LEU 16 1.052 -4.821 1.121
130 H LYS 17 H LYS 17 -4.403 -6.445 1.948
131 HA LYS 17 HA LYS 17 -3.144 -7.014 4.323
132 HB2 LYS 17 HB2 LYS 17 -5.504 -6.344 3.975
133 HB3 LYS 17 HB3 LYS 17 -5.856 -7.952 3.374
134 HG2 LYS 17 HG2 LYS 17 -5.206 -8.848 5.593
135 HG3 LYS 17 HG3 LYS 17 -5.077 -7.178 6.162
136 HD2 LYS 17 HD2 LYS 17 -7.415 -6.805 5.427
137 HD3 LYS 17 HD3 LYS 17 -7.527 -8.516 5.024
138 HE2 LYS 17 HE2 LYS 17 -7.077 -9.072 7.374
139 HE3 LYS 17 HE3 LYS 17 -7.026 -7.349 7.755
140 HZ1 LYS 17 HZ1 LYS 17 -9.338 -7.260 6.769
141 HZ2 LYS 17 HZ2 LYS 17 -9.188 -8.033 8.271
142 HZ3 LYS 17 HZ3 LYS 17 -9.344 -8.953 6.852
143 H SER 18 H SER 18 -4.661 -9.312 2.082
144 HA SER 18 HA SER 18 -3.697 -11.592 3.519
145 HB2 SER 18 HB2 SER 18 -5.824 -11.608 2.233
146 HB3 SER 18 HB3 SER 18 -4.901 -11.449 0.742
147 HG SER 18 HG SER 18 -4.967 -13.557 0.813
148 H PHE 19 H PHE 19 -2.638 -9.753 0.688
149 HA PHE 19 HA PHE 19 -0.791 -11.672 -0.268
150 HB2 PHE 19 HB2 PHE 19 -1.715 -9.496 -1.390
151 HB3 PHE 19 HB3 PHE 19 -0.332 -8.728 -0.615
152 HD1 PHE 19 HD1 PHE 19 1.971 -9.937 -1.023
153 HD2 PHE 19 HD2 PHE 19 -1.468 -10.376 -3.490
154 HE1 PHE 19 HE1 PHE 19 3.401 -10.673 -2.883
155 HE2 PHE 19 HE2 PHE 19 -0.042 -11.114 -5.351
156 HZ PHE 19 HZ PHE 19 2.398 -11.264 -5.051
157 H VAL 20 H VAL 20 -0.428 -8.919 1.946
158 HA VAL 20 HA VAL 20 2.380 -9.117 2.155
159 HB VAL 20 HB VAL 20 1.050 -7.087 2.755
160 HG11 VAL 20 HG11 VAL 20 0.473 -8.609 5.289
161 HG12 VAL 20 HG12 VAL 20 -0.707 -8.130 4.068
162 HG13 VAL 20 HG13 VAL 20 0.134 -6.900 5.011
163 HG21 VAL 20 HG21 VAL 20 2.505 -6.421 4.613
164 HG22 VAL 20 HG22 VAL 20 3.391 -7.267 3.343
165 HG23 VAL 20 HG23 VAL 20 2.973 -8.108 4.835
166 H ARG 21 H ARG 21 -0.229 -10.641 3.986
167 HA ARG 21 HA ARG 21 1.599 -11.741 5.922
168 HB2 ARG 21 HB2 ARG 21 -0.340 -12.950 6.789
169 HB3 ARG 21 HB3 ARG 21 -0.717 -11.254 6.551
170 HG2 ARG 21 HG2 ARG 21 -2.608 -12.268 5.753
171 HG3 ARG 21 HG3 ARG 21 -1.672 -12.066 4.271
172 HD2 ARG 21 HD2 ARG 21 -0.840 -14.398 4.556
173 HD3 ARG 21 HD3 ARG 21 -1.938 -14.572 5.924
174 HE ARG 21 HE ARG 21 -3.327 -13.706 3.605
175 HH11 ARG 21 HH11 ARG 21 -1.814 -16.536 4.997
176 HH12 ARG 21 HH12 ARG 21 -2.900 -17.654 4.230
177 HH21 ARG 21 HH21 ARG 21 -4.722 -15.157 2.556
178 HH22 ARG 21 HH22 ARG 21 -4.552 -16.871 2.821
179 H LYS 22 H LYS 22 0.733 -12.475 2.771
180 HA LYS 22 HA LYS 22 0.994 -15.363 3.030
181 HB2 LYS 22 HB2 LYS 22 -0.753 -14.381 1.576
182 HB3 LYS 22 HB3 LYS 22 0.502 -13.678 0.571
183 HG2 LYS 22 HG2 LYS 22 -0.328 -15.649 -0.495
184 HG3 LYS 22 HG3 LYS 22 1.315 -15.961 0.067
185 HD2 LYS 22 HD2 LYS 22 0.470 -17.180 1.975
186 HD3 LYS 22 HD3 LYS 22 -1.192 -16.774 1.537
187 HE2 LYS 22 HE2 LYS 22 0.699 -18.378 -0.181
188 HE3 LYS 22 HE3 LYS 22 -0.524 -19.076 0.881
189 HZ1 LYS 22 HZ1 LYS 22 -2.244 -18.070 -0.404
190 HZ2 LYS 22 HZ2 LYS 22 -1.211 -18.872 -1.483
191 HZ3 LYS 22 HZ3 LYS 22 -1.137 -17.186 -1.333
192 H TYR 23 H TYR 23 2.571 -12.769 1.134
193 HA TYR 23 HA TYR 23 4.929 -14.534 0.932
194 HB2 TYR 23 HB2 TYR 23 3.936 -12.400 -0.960
195 HB3 TYR 23 HB3 TYR 23 5.516 -13.160 -1.098
196 HD1 TYR 23 HD2 TYR 23 5.668 -15.594 -1.589
197 HD2 TYR 23 HD1 TYR 23 1.971 -13.493 -1.728
198 HE1 TYR 23 HE2 TYR 23 4.685 -17.427 -2.898
199 HE2 TYR 23 HE1 TYR 23 0.975 -15.319 -3.041
200 HH TYR 23 HH TYR 23 1.647 -17.145 -4.472
201 H ARG 24 H ARG 24 3.774 -11.798 2.406
202 HA ARG 24 HA ARG 24 4.609 -9.955 3.379
203 HB2 ARG 24 HB2 ARG 24 6.932 -11.775 3.440
204 HB3 ARG 24 HB3 ARG 24 7.308 -10.064 3.612
205 HG2 ARG 24 HG2 ARG 24 7.016 -10.927 5.799
206 HG3 ARG 24 HG3 ARG 24 5.583 -9.969 5.431
207 HD2 ARG 24 HD2 ARG 24 4.676 -11.863 6.378
208 HD3 ARG 24 HD3 ARG 24 4.568 -12.207 4.655
209 HE ARG 24 HE ARG 24 6.796 -13.247 6.291
210 HH11 ARG 24 HH11 ARG 24 4.115 -13.750 4.119
211 HH12 ARG 24 HH12 ARG 24 4.484 -15.418 3.827
212 HH21 ARG 24 HH21 ARG 24 7.273 -15.466 5.927
213 HH22 ARG 24 HH22 ARG 24 6.267 -16.392 4.854
214 H ARG 25 H ARG 25 4.111 -8.483 1.958
215 HA ARG 25 HA ARG 25 4.249 -6.937 0.300
216 HB2 ARG 25 HB2 ARG 25 7.201 -7.603 0.286
217 HB3 ARG 25 HB3 ARG 25 6.460 -6.247 -0.547
218 HG2 ARG 25 HG2 ARG 25 5.723 -5.375 1.660
219 HG3 ARG 25 HG3 ARG 25 6.654 -6.671 2.420
220 HD2 ARG 25 HD2 ARG 25 7.769 -4.586 0.554
221 HD3 ARG 25 HD3 ARG 25 7.902 -4.552 2.310
222 HE ARG 25 HE ARG 25 9.049 -6.857 1.885
223 HH11 ARG 25 HH11 ARG 25 9.372 -3.941 -0.033
224 HH12 ARG 25 HH12 ARG 25 10.969 -4.337 -0.590
225 HH21 ARG 25 HH21 ARG 25 11.178 -7.347 1.154
226 HH22 ARG 25 HH22 ARG 25 11.982 -6.234 0.079
227 H PHE 26 H PHE 26 5.313 -6.727 -2.070
228 HA PHE 26 HA PHE 26 5.415 -9.392 -3.276
229 HB2 PHE 26 HB2 PHE 26 4.427 -8.191 -5.382
230 HB3 PHE 26 HB3 PHE 26 3.357 -8.762 -4.111
231 HD1 PHE 26 HD1 PHE 26 2.331 -7.150 -2.541
232 HD2 PHE 26 HD2 PHE 26 4.613 -5.877 -5.901
233 HE1 PHE 26 HE1 PHE 26 1.328 -4.912 -2.367
234 HE2 PHE 26 HE2 PHE 26 3.614 -3.631 -5.726
235 HZ PHE 26 HZ PHE 26 1.966 -3.152 -3.960
236 HA PRO 27 HA PRO 27 9.322 -7.121 -3.993
237 HB2 PRO 27 HB2 PRO 27 10.420 -9.851 -4.016
238 HB3 PRO 27 HB3 PRO 27 10.874 -8.467 -3.020
239 HG2 PRO 27 HG2 PRO 27 9.570 -10.572 -1.989
240 HG3 PRO 27 HG3 PRO 27 9.273 -8.919 -1.421
241 HD2 PRO 27 HD2 PRO 27 7.654 -10.592 -3.306
242 HD3 PRO 27 HD3 PRO 27 7.107 -9.534 -1.987
243 H LYS 28 H LYS 28 9.161 -6.463 -6.064
244 HA LYS 28 HA LYS 28 9.444 -6.422 -8.309
245 HB2 LYS 28 HB2 LYS 28 10.964 -8.985 -7.787
246 HB3 LYS 28 HB3 LYS 28 11.009 -8.071 -9.290
247 HG2 LYS 28 HG2 LYS 28 11.980 -6.170 -8.134
248 HG3 LYS 28 HG3 LYS 28 11.884 -7.035 -6.600
249 HD2 LYS 28 HD2 LYS 28 13.390 -8.763 -7.525
250 HD3 LYS 28 HD3 LYS 28 13.536 -7.807 -9.001
251 HE2 LYS 28 HE2 LYS 28 15.431 -7.448 -7.481
252 HE3 LYS 28 HE3 LYS 28 14.509 -5.968 -7.749
253 HZ1 LYS 28 HZ1 LYS 28 14.188 -7.744 -5.388
254 HZ2 LYS 28 HZ2 LYS 28 13.448 -6.240 -5.626
255 HZ3 LYS 28 HZ3 LYS 28 15.126 -6.331 -5.400
256 H SER 29 H SER 29 7.163 -7.860 -7.078
257 HA SER 29 HA SER 29 6.477 -9.829 -9.101
258 HB2 SER 29 HB2 SER 29 4.862 -8.762 -6.772
259 HB3 SER 29 HB3 SER 29 4.423 -10.133 -7.793
260 HG SER 29 HG SER 29 6.922 -10.149 -6.520
261 H THR 30 H THR 30 5.158 -9.444 -10.802
262 HA THR 30 HA THR 30 4.669 -6.722 -11.501
263 HB THR 30 HB THR 30 3.397 -7.810 -13.452
264 HG1 THR 30 HG1 THR 30 4.551 -10.145 -13.439
265 HG21 THR 30 HG21 THR 30 5.480 -8.400 -14.580
266 HG22 THR 30 HG22 THR 30 6.311 -8.481 -13.027
267 HG23 THR 30 HG23 THR 30 5.685 -6.940 -13.612
268 H GLU 31 H GLU 31 2.616 -9.437 -10.518
269 HA GLU 31 HA GLU 31 0.490 -9.551 -9.725
270 HB2 GLU 31 HB2 GLU 31 1.791 -7.482 -8.395
271 HB3 GLU 31 HB3 GLU 31 0.267 -6.760 -8.890
272 HG2 GLU 31 HG2 GLU 31 0.494 -9.338 -7.352
273 HG3 GLU 31 HG3 GLU 31 0.259 -7.757 -6.613
274 H GLY 32 H GLY 32 -1.512 -7.527 -9.592
275 HA2 GLY 32 HA2 GLY 32 -1.787 -6.713 -12.416
276 HA3 GLY 32 HA3 GLY 32 -3.120 -7.467 -11.550
277 H ASN 33 H ASN 33 -4.136 -6.338 -9.863
278 HA ASN 33 HA ASN 33 -4.304 -3.538 -10.323
279 HB2 ASN 33 HB2 ASN 33 -5.836 -3.640 -8.248
280 HB3 ASN 33 HB3 ASN 33 -6.343 -4.470 -9.711
281 HD21 ASN 33 HD21 ASN 33 -7.661 -5.897 -8.674
282 HD22 ASN 33 HD22 ASN 33 -7.064 -7.171 -7.657
283 H LEU 34 H LEU 34 -2.808 -5.496 -7.755
284 HA LEU 34 HA LEU 34 -2.005 -3.174 -6.263
285 HB2 LEU 34 HB2 LEU 34 -1.400 -6.082 -6.096
286 HB3 LEU 34 HB3 LEU 34 -0.311 -4.961 -5.307
287 HG LEU 34 HG LEU 34 -2.460 -4.030 -4.179
288 HD11 LEU 34 HD11 LEU 34 -3.399 -6.779 -4.968
289 HD12 LEU 34 HD12 LEU 34 -4.085 -5.245 -5.509
290 HD13 LEU 34 HD13 LEU 34 -4.189 -5.712 -3.809
291 HD21 LEU 34 HD21 LEU 34 -0.650 -5.182 -3.018
292 HD22 LEU 34 HD22 LEU 34 -1.372 -6.739 -3.435
293 HD23 LEU 34 HD23 LEU 34 -2.230 -5.623 -2.370
294 H GLY 35 H GLY 35 -0.676 -5.042 -8.868
295 HA2 GLY 35 HA2 GLY 35 2.011 -4.234 -8.703
296 HA3 GLY 35 HA3 GLY 35 1.186 -4.718 -10.180
297 H GLY 36 H GLY 36 -0.732 -2.797 -10.422
298 HA2 GLY 36 HA2 GLY 36 0.785 -0.510 -11.294
299 HA3 GLY 36 HA3 GLY 36 -0.963 -0.702 -11.389
300 H TRP 37 H TRP 37 -1.185 -1.349 -8.570
301 HA TRP 37 HA TRP 37 -1.731 1.142 -7.442
302 HB2 TRP 37 HB2 TRP 37 -2.440 -1.286 -6.777
303 HB3 TRP 37 HB3 TRP 37 -0.998 -1.239 -5.774
304 HD1 TRP 37 HD1 TRP 37 -4.158 0.935 -6.304
305 HE1 TRP 37 HE1 TRP 37 -4.865 1.846 -4.015
306 HE3 TRP 37 HE3 TRP 37 -0.383 -0.995 -3.464
307 HZ2 TRP 37 HZ2 TRP 37 -3.954 1.753 -1.340
308 HZ3 TRP 37 HZ3 TRP 37 -0.371 -0.542 -1.045
309 HH2 TRP 37 HH2 TRP 37 -2.121 0.805 -0.009
310 H CYS 38 H CYS 38 0.957 -1.088 -6.714
311 HA CYS 38 HA CYS 38 2.309 0.657 -4.972
312 HB2 CYS 38 HB2 CYS 38 2.694 -1.798 -5.131
313 HB3 CYS 38 HB3 CYS 38 3.517 -1.538 -6.666
314 HG CYS 38 HG CYS 38 5.766 -1.588 -5.400
315 H HIS 39 H HIS 39 2.746 0.028 -8.437
316 HA HIS 39 HA HIS 39 5.009 1.603 -8.851
317 HB2 HIS 39 HB2 HIS 39 2.839 0.578 -10.608
318 HB3 HIS 39 HB3 HIS 39 3.882 1.842 -11.247
319 HD1 HIS 39 HD1 HIS 39 3.716 -1.770 -10.692
320 HD2 HIS 39 HD2 HIS 39 6.682 1.075 -11.325
321 HE1 HIS 39 HE1 HIS 39 5.762 -3.060 -11.382
322 HE2 HIS 39 HE2 HIS 39 7.472 -1.304 -11.964
323 H THR 40 H THR 40 1.578 2.528 -9.054
324 HA THR 40 HA THR 40 2.161 5.133 -10.028
325 HB THR 40 HB THR 40 -0.051 3.766 -10.198
326 HG1 THR 40 HG1 THR 40 -1.024 5.626 -10.768
327 HG21 THR 40 HG21 THR 40 -0.463 3.510 -7.801
328 HG22 THR 40 HG22 THR 40 -1.768 4.405 -8.579
329 HG23 THR 40 HG23 THR 40 -0.558 5.263 -7.625
330 H GLN 41 H GLN 41 1.784 3.763 -6.825
331 HA GLN 41 HA GLN 41 1.478 6.372 -5.621
332 HB2 GLN 41 HB2 GLN 41 1.129 3.580 -4.731
333 HB3 GLN 41 HB3 GLN 41 1.595 4.747 -3.495
334 HG2 GLN 41 HG2 GLN 41 -0.392 5.784 -3.533
335 HG3 GLN 41 HG3 GLN 41 -0.543 5.646 -5.283
336 HE21 GLN 41 HE21 GLN 41 -1.531 3.888 -6.162
337 HE22 GLN 41 HE22 GLN 41 -2.460 2.769 -5.238
338 H ARG 42 H ARG 42 4.108 4.143 -6.149
339 HA ARG 42 HA ARG 42 5.782 5.248 -4.126
340 HB2 ARG 42 HB2 ARG 42 7.665 4.215 -5.327
341 HB3 ARG 42 HB3 ARG 42 6.347 3.086 -5.078
342 HG2 ARG 42 HG2 ARG 42 7.046 2.627 -7.230
343 HG3 ARG 42 HG3 ARG 42 5.664 3.687 -7.487
344 HD2 ARG 42 HD2 ARG 42 7.595 4.227 -8.935
345 HD3 ARG 42 HD3 ARG 42 7.113 5.562 -7.892
346 HE ARG 42 HE ARG 42 9.078 4.297 -6.481
347 HH11 ARG 42 HH11 ARG 42 8.887 5.574 -9.742
348 HH12 ARG 42 HH12 ARG 42 10.554 6.059 -9.784
349 HH21 ARG 42 HH21 ARG 42 11.266 4.939 -6.543
350 HH22 ARG 42 HH22 ARG 42 11.905 5.704 -7.968
351 H LYS 43 H LYS 43 4.742 6.288 -7.203
352 HA LYS 43 HA LYS 43 6.792 8.204 -7.673
353 HB2 LYS 43 HB2 LYS 43 5.565 7.346 -9.537
354 HB3 LYS 43 HB3 LYS 43 4.028 7.762 -8.802
355 HG2 LYS 43 HG2 LYS 43 5.816 10.034 -9.256
356 HG3 LYS 43 HG3 LYS 43 5.270 9.207 -10.719
357 HD2 LYS 43 HD2 LYS 43 3.467 10.204 -8.516
358 HD3 LYS 43 HD3 LYS 43 3.779 11.053 -10.025
359 HE2 LYS 43 HE2 LYS 43 2.706 8.249 -9.950
360 HE3 LYS 43 HE3 LYS 43 1.649 9.659 -9.887
361 HZ1 LYS 43 HZ1 LYS 43 3.612 9.165 -12.065
362 HZ2 LYS 43 HZ2 LYS 43 2.392 10.347 -12.020
363 HZ3 LYS 43 HZ3 LYS 43 1.977 8.707 -12.136
364 H MET 44 H MET 44 3.712 8.175 -5.964
365 HA MET 44 HA MET 44 3.547 10.969 -5.459
366 HB2 MET 44 HB2 MET 44 2.584 8.846 -3.542
367 HB3 MET 44 HB3 MET 44 1.928 10.454 -3.805
368 HG2 MET 44 HG2 MET 44 1.786 8.125 -5.692
369 HG3 MET 44 HG3 MET 44 0.466 8.794 -4.732
370 HE1 MET 44 HE1 MET 44 0.855 8.208 -7.917
371 HE2 MET 44 HE2 MET 44 -0.080 9.531 -8.621
372 HE3 MET 44 HE3 MET 44 -0.713 8.639 -7.235
373 H ARG 45 H ARG 45 5.280 8.331 -3.917
374 HA ARG 45 HA ARG 45 5.949 9.848 -1.584
375 HB2 ARG 45 HB2 ARG 45 5.938 7.331 -1.667
376 HB3 ARG 45 HB3 ARG 45 7.424 7.419 -2.604
377 HG2 ARG 45 HG2 ARG 45 7.776 7.038 -0.169
378 HG3 ARG 45 HG3 ARG 45 8.585 8.480 -0.797
379 HD2 ARG 45 HD2 ARG 45 6.603 9.807 -0.044
380 HD3 ARG 45 HD3 ARG 45 5.997 8.355 0.735
381 HE ARG 45 HE ARG 45 8.658 9.042 1.562
382 HH11 ARG 45 HH11 ARG 45 5.245 9.667 2.113
383 HH12 ARG 45 HH12 ARG 45 5.487 10.329 3.700
384 HH21 ARG 45 HH21 ARG 45 8.963 9.932 3.662
385 HH22 ARG 45 HH22 ARG 45 7.587 10.454 4.583
386 H LYS 46 H LYS 46 7.590 9.077 -4.606
387 HA LYS 46 HA LYS 46 10.000 10.419 -4.195
388 HB2 LYS 46 HB2 LYS 46 9.492 9.053 -6.201
389 HB3 LYS 46 HB3 LYS 46 8.386 10.304 -6.756
390 HG2 LYS 46 HG2 LYS 46 10.433 11.864 -6.620
391 HG3 LYS 46 HG3 LYS 46 11.374 10.372 -6.586
392 HD2 LYS 46 HD2 LYS 46 11.222 11.129 -8.856
393 HD3 LYS 46 HD3 LYS 46 10.233 9.677 -8.685
394 HE2 LYS 46 HE2 LYS 46 8.227 11.022 -8.550
395 HE3 LYS 46 HE3 LYS 46 9.180 12.505 -8.584
396 HZ1 LYS 46 HZ1 LYS 46 9.964 11.823 -10.817
397 HZ2 LYS 46 HZ2 LYS 46 8.298 12.124 -10.747
398 HZ3 LYS 46 HZ3 LYS 46 8.869 10.525 -10.779
399 H GLN 47 H GLN 47 6.905 11.623 -5.402
400 HA GLN 47 HA GLN 47 7.584 14.349 -5.591
401 HB2 GLN 47 HB2 GLN 47 4.943 12.951 -5.154
402 HB3 GLN 47 HB3 GLN 47 5.075 14.681 -5.401
403 HG2 GLN 47 HG2 GLN 47 6.102 14.271 -7.592
404 HG3 GLN 47 HG3 GLN 47 5.904 12.536 -7.336
405 HE21 GLN 47 HE21 GLN 47 3.816 11.661 -7.315
406 HE22 GLN 47 HE22 GLN 47 2.480 12.492 -8.030
407 H GLY 48 H GLY 48 6.701 12.336 -2.903
408 HA2 GLY 48 HA2 GLY 48 6.852 12.790 -0.636
409 HA3 GLY 48 HA3 GLY 48 7.280 14.452 -1.029
410 H LYS 49 H LYS 49 4.461 12.872 -2.323
411 HA LYS 49 HA LYS 49 2.790 14.763 -0.804
412 HB2 LYS 49 HB2 LYS 49 1.219 14.679 -2.690
413 HB3 LYS 49 HB3 LYS 49 2.805 15.243 -3.190
414 HG2 LYS 49 HG2 LYS 49 3.291 13.262 -4.320
415 HG3 LYS 49 HG3 LYS 49 2.029 12.366 -3.476
416 HD2 LYS 49 HD2 LYS 49 1.535 14.599 -5.446
417 HD3 LYS 49 HD3 LYS 49 1.448 12.878 -5.827
418 HE2 LYS 49 HE2 LYS 49 -0.316 12.605 -4.145
419 HE3 LYS 49 HE3 LYS 49 -0.244 14.331 -3.799
420 HZ1 LYS 49 HZ1 LYS 49 -2.043 13.962 -5.272
421 HZ2 LYS 49 HZ2 LYS 49 -1.096 13.034 -6.322
422 HZ3 LYS 49 HZ3 LYS 49 -0.816 14.699 -6.185
423 H LEU 50 H LEU 50 3.620 11.636 -0.898
424 HA LEU 50 HA LEU 50 1.237 10.170 -0.887
425 HB2 LEU 50 HB2 LEU 50 3.999 9.768 -0.163
426 HB3 LEU 50 HB3 LEU 50 2.967 9.038 1.042
427 HG LEU 50 HG LEU 50 3.084 8.386 -1.899
428 HD11 LEU 50 HD11 LEU 50 4.857 7.416 -0.548
429 HD12 LEU 50 HD12 LEU 50 3.729 6.173 -1.089
430 HD13 LEU 50 HD13 LEU 50 3.661 6.762 0.574
431 HD21 LEU 50 HD21 LEU 50 1.380 6.695 -1.459
432 HD22 LEU 50 HD22 LEU 50 0.760 8.323 -1.175
433 HD23 LEU 50 HD23 LEU 50 1.207 7.296 0.189
434 HA PRO 51 HA PRO 51 -0.384 11.400 3.124
435 HB2 PRO 51 HB2 PRO 51 -2.362 9.324 2.944
436 HB3 PRO 51 HB3 PRO 51 -2.576 11.058 2.701
437 HG2 PRO 51 HG2 PRO 51 -2.797 9.166 0.716
438 HG3 PRO 51 HG3 PRO 51 -2.435 10.879 0.440
439 HD2 PRO 51 HD2 PRO 51 -0.581 8.533 0.504
440 HD3 PRO 51 HD3 PRO 51 -0.560 9.968 -0.533
441 H ASN 52 H ASN 52 -0.650 10.496 5.174
442 HA ASN 52 HA ASN 52 1.242 8.490 5.819
443 HB2 ASN 52 HB2 ASN 52 0.808 10.391 7.289
444 HB3 ASN 52 HB3 ASN 52 -0.863 9.877 7.490
445 HD21 ASN 52 HD21 ASN 52 -0.749 9.665 9.651
446 HD22 ASN 52 HD22 ASN 52 0.153 8.418 10.428
447 H ASP 53 H ASP 53 -2.207 8.573 5.363
448 HA ASP 53 HA ASP 53 -3.116 6.435 6.817
449 HB2 ASP 53 HB2 ASP 53 -4.017 7.399 4.101
450 HB3 ASP 53 HB3 ASP 53 -4.916 6.244 5.083
451 H ARG 54 H ARG 54 -1.946 6.310 3.453
452 HA ARG 54 HA ARG 54 -2.306 3.550 3.101
453 HB2 ARG 54 HB2 ARG 54 -1.924 5.043 1.216
454 HB3 ARG 54 HB3 ARG 54 -0.317 5.433 1.812
455 HG2 ARG 54 HG2 ARG 54 0.281 3.016 1.512
456 HG3 ARG 54 HG3 ARG 54 -1.275 2.806 0.705
457 HD2 ARG 54 HD2 ARG 54 -0.597 4.634 -0.871
458 HD3 ARG 54 HD3 ARG 54 1.008 4.578 -0.143
459 HE ARG 54 HE ARG 54 -0.254 2.421 -1.702
460 HH11 ARG 54 HH11 ARG 54 2.587 3.908 -0.310
461 HH12 ARG 54 HH12 ARG 54 3.700 2.890 -1.155
462 HH21 ARG 54 HH21 ARG 54 1.204 1.069 -2.828
463 HH22 ARG 54 HH22 ARG 54 2.911 1.262 -2.596
464 H ARG 55 H ARG 55 0.572 5.388 4.045
465 HA ARG 55 HA ARG 55 2.279 3.163 4.332
466 HB2 ARG 55 HB2 ARG 55 3.210 5.338 3.981
467 HB3 ARG 55 HB3 ARG 55 2.385 5.992 5.383
468 HG2 ARG 55 HG2 ARG 55 4.373 3.809 5.784
469 HG3 ARG 55 HG3 ARG 55 4.946 5.444 5.439
470 HD2 ARG 55 HD2 ARG 55 3.546 6.267 7.309
471 HD3 ARG 55 HD3 ARG 55 3.130 4.598 7.691
472 HE ARG 55 HE ARG 55 5.704 5.913 8.119
473 HH11 ARG 55 HH11 ARG 55 3.849 2.946 8.211
474 HH12 ARG 55 HH12 ARG 55 4.869 2.194 9.402
475 HH21 ARG 55 HH21 ARG 55 7.034 4.949 9.694
476 HH22 ARG 55 HH22 ARG 55 6.665 3.350 10.281
477 H LEU 56 H LEU 56 -0.063 4.624 6.431
478 HA LEU 56 HA LEU 56 0.878 3.379 8.834
479 HB2 LEU 56 HB2 LEU 56 -0.509 5.497 8.660
480 HB3 LEU 56 HB3 LEU 56 -1.880 4.464 8.304
481 HG LEU 56 HG LEU 56 -1.592 3.358 10.500
482 HD11 LEU 56 HD11 LEU 56 0.784 3.730 10.813
483 HD12 LEU 56 HD12 LEU 56 -0.126 4.404 12.166
484 HD13 LEU 56 HD13 LEU 56 0.518 5.469 10.917
485 HD21 LEU 56 HD21 LEU 56 -3.168 5.183 10.272
486 HD22 LEU 56 HD22 LEU 56 -1.886 6.356 10.576
487 HD23 LEU 56 HD23 LEU 56 -2.386 5.245 11.852
488 H LEU 57 H LEU 57 -1.899 2.808 6.670
489 HA LEU 57 HA LEU 57 -2.884 0.534 7.977
490 HB2 LEU 57 HB2 LEU 57 -3.168 1.715 5.271
491 HB3 LEU 57 HB3 LEU 57 -3.621 0.033 5.439
492 HG LEU 57 HG LEU 57 -5.240 0.637 7.190
493 HD11 LEU 57 HD11 LEU 57 -5.782 2.979 7.609
494 HD12 LEU 57 HD12 LEU 57 -4.426 3.475 6.597
495 HD13 LEU 57 HD13 LEU 57 -4.131 2.597 8.097
496 HD21 LEU 57 HD21 LEU 57 -5.985 0.532 4.885
497 HD22 LEU 57 HD22 LEU 57 -5.529 2.218 4.641
498 HD23 LEU 57 HD23 LEU 57 -6.837 1.812 5.752
499 H LEU 58 H LEU 58 -0.517 0.808 5.347
500 HA LEU 58 HA LEU 58 -0.126 -1.952 4.961
501 HB2 LEU 58 HB2 LEU 58 1.854 0.299 4.578
502 HB3 LEU 58 HB3 LEU 58 2.026 -1.326 3.942
503 HG LEU 58 HG LEU 58 -0.056 0.710 3.153
504 HD11 LEU 58 HD11 LEU 58 2.123 1.148 2.202
505 HD12 LEU 58 HD12 LEU 58 1.029 0.550 0.955
506 HD13 LEU 58 HD13 LEU 58 2.246 -0.521 1.647
507 HD21 LEU 58 HD21 LEU 58 -1.040 -1.513 3.179
508 HD22 LEU 58 HD22 LEU 58 0.295 -2.132 2.209
509 HD23 LEU 58 HD23 LEU 58 -0.820 -0.948 1.523
510 H ASP 59 H ASP 59 1.386 0.363 7.136
511 HA ASP 59 HA ASP 59 3.416 -1.227 8.190
512 HB2 ASP 59 HB2 ASP 59 3.217 1.187 8.609
513 HB3 ASP 59 HB3 ASP 59 1.774 0.907 9.575
514 H LYS 60 H LYS 60 0.015 -0.979 9.058
515 HA LYS 60 HA LYS 60 0.300 -2.517 11.441
516 HB2 LYS 60 HB2 LYS 60 -1.884 -1.125 10.014
517 HB3 LYS 60 HB3 LYS 60 -2.348 -2.416 11.103
518 HG2 LYS 60 HG2 LYS 60 -2.414 -0.377 12.328
519 HG3 LYS 60 HG3 LYS 60 -1.008 -1.280 12.890
520 HD2 LYS 60 HD2 LYS 60 0.239 0.096 11.047
521 HD3 LYS 60 HD3 LYS 60 -1.136 1.186 11.211
522 HE2 LYS 60 HE2 LYS 60 0.519 2.001 12.673
523 HE3 LYS 60 HE3 LYS 60 -0.671 1.192 13.690
524 HZ1 LYS 60 HZ1 LYS 60 1.600 0.638 14.330
525 HZ2 LYS 60 HZ2 LYS 60 1.904 0.008 12.786
526 HZ3 LYS 60 HZ3 LYS 60 0.764 -0.739 13.804
527 H ILE 61 H ILE 61 -0.591 -3.260 8.116
528 HA ILE 61 HA ILE 61 -1.491 -5.906 8.870
529 HB ILE 61 HB ILE 61 -1.538 -6.364 6.404
530 HG12 ILE 61 HG12 ILE 61 -0.862 -3.419 6.240
531 HG13 ILE 61 HG13 ILE 61 0.149 -4.749 5.681
532 HG21 ILE 61 HG21 ILE 61 -3.522 -5.689 7.617
533 HG22 ILE 61 HG22 ILE 61 -3.517 -4.979 6.002
534 HG23 ILE 61 HG23 ILE 61 -3.098 -3.990 7.403
535 HD11 ILE 61 HD11 ILE 61 -1.534 -5.324 4.012
536 HD12 ILE 61 HD12 ILE 61 -0.983 -3.659 3.831
537 HD13 ILE 61 HD13 ILE 61 -2.547 -3.995 4.575
538 H GLY 62 H GLY 62 1.493 -4.413 8.243
539 HA2 GLY 62 HA2 GLY 62 3.393 -5.678 9.107
540 HA3 GLY 62 HA3 GLY 62 2.726 -7.092 8.312
541 H PHE 63 H PHE 63 2.709 -4.061 6.645
542 HA PHE 63 HA PHE 63 4.552 -5.163 4.685
543 HB2 PHE 63 HB2 PHE 63 2.380 -4.067 4.022
544 HB3 PHE 63 HB3 PHE 63 3.031 -2.543 4.607
545 HD1 PHE 63 HD2 PHE 63 5.053 -1.564 3.457
546 HD2 PHE 63 HD1 PHE 63 2.868 -4.861 1.877
547 HE1 PHE 63 HE2 PHE 63 6.015 -1.134 1.233
548 HE2 PHE 63 HE1 PHE 63 3.830 -4.436 -0.346
549 HZ PHE 63 HZ PHE 63 5.403 -2.572 -0.672
550 H VAL 64 H VAL 64 6.580 -4.983 5.236
551 HA VAL 64 HA VAL 64 7.514 -2.547 6.524
552 HB VAL 64 HB VAL 64 8.001 -4.714 7.580
553 HG11 VAL 64 HG11 VAL 64 9.710 -6.198 6.610
554 HG12 VAL 64 HG12 VAL 64 9.644 -5.258 5.119
555 HG13 VAL 64 HG13 VAL 64 8.221 -6.145 5.666
556 HG21 VAL 64 HG21 VAL 64 10.435 -3.233 6.597
557 HG22 VAL 64 HG22 VAL 64 10.384 -4.314 7.991
558 HG23 VAL 64 HG23 VAL 64 9.451 -2.817 8.000
559 H TRP 65 H TRP 65 8.778 -1.111 5.510
560 HA TRP 65 HA TRP 65 9.011 -1.250 2.690
561 HB2 TRP 65 HB2 TRP 65 10.335 0.697 4.585
562 HB3 TRP 65 HB3 TRP 65 10.093 0.922 2.853
563 HD1 TRP 65 HD1 TRP 65 8.354 1.321 6.169
564 HE1 TRP 65 HE1 TRP 65 6.004 2.300 5.806
565 HE3 TRP 65 HE3 TRP 65 8.062 0.870 1.084
566 HZ2 TRP 65 HZ2 TRP 65 4.254 2.818 3.648
567 HZ3 TRP 65 HZ3 TRP 65 6.015 1.624 -0.051
568 HH2 TRP 65 HH2 TRP 65 4.150 2.576 1.203
569 H SER 66 H SER 66 11.177 -1.958 5.306
570 HA SER 66 HA SER 66 13.168 -3.018 5.420
571 HB2 SER 66 HB2 SER 66 12.662 -3.667 2.508
572 HB3 SER 66 HB3 SER 66 13.857 -4.445 3.543
573 HG SER 66 HG SER 66 11.052 -4.626 3.598
574 H LEU 67 H LEU 67 15.389 -3.206 4.024
575 HA LEU 67 HA LEU 67 16.232 -0.442 3.843
576 HB2 LEU 67 HB2 LEU 67 18.442 -1.215 4.025
577 HB3 LEU 67 HB3 LEU 67 17.503 -2.237 5.093
578 HG LEU 67 HG LEU 67 18.363 -3.063 2.315
579 HD11 LEU 67 HD11 LEU 67 19.620 -3.741 4.970
580 HD12 LEU 67 HD12 LEU 67 20.306 -2.665 3.752
581 HD13 LEU 67 HD13 LEU 67 20.093 -4.380 3.394
582 HD21 LEU 67 HD21 LEU 67 16.408 -4.257 3.175
583 HD22 LEU 67 HD22 LEU 67 17.299 -4.665 4.641
584 HD23 LEU 67 HD23 LEU 67 17.818 -5.312 3.084
585 H GLU 68 H GLU 68 14.677 -2.006 1.659
586 HA GLU 68 HA GLU 68 16.520 -2.009 -0.556
587 HB2 GLU 68 HB2 GLU 68 13.518 -2.348 -0.514
588 HB3 GLU 68 HB3 GLU 68 14.549 -2.600 -1.917
589 HG2 GLU 68 HG2 GLU 68 15.758 -4.344 -0.542
590 HG3 GLU 68 HG3 GLU 68 14.440 -4.203 0.621
591 H HIS 69 H HIS 69 15.121 0.416 1.075
592 HA HIS 69 HA HIS 69 15.453 2.176 -1.241
593 HB2 HIS 69 HB2 HIS 69 13.014 1.929 -0.855
594 HB3 HIS 69 HB3 HIS 69 13.233 2.492 0.799
595 HD1 HIS 69 HD1 HIS 69 13.059 3.687 -2.729
596 HD2 HIS 69 HD2 HIS 69 13.743 5.256 1.064
597 HE1 HIS 69 HE1 HIS 69 12.936 6.189 -2.988
598 HE2 HIS 69 HE2 HIS 69 13.616 7.100 -0.742
599 H HIS 70 H HIS 70 14.998 2.081 2.281
600 HA HIS 70 HA HIS 70 16.958 4.227 2.564
601 HB2 HIS 70 HB2 HIS 70 14.847 4.354 3.878
602 HB3 HIS 70 HB3 HIS 70 15.291 2.859 4.694
603 HD1 HIS 70 HD1 HIS 70 16.176 6.497 4.496
604 HD2 HIS 70 HD2 HIS 70 17.206 3.132 6.720
605 HE1 HIS 70 HE1 HIS 70 17.527 7.354 6.441
606 HE2 HIS 70 HE2 HIS 70 18.044 5.314 7.840
607 H HIS 71 H HIS 71 18.975 3.532 2.459
608 HA HIS 71 HA HIS 71 19.649 0.811 3.175
609 HB2 HIS 71 HB2 HIS 71 21.397 3.072 2.182
610 HB3 HIS 71 HB3 HIS 71 21.907 1.398 2.366
611 HD1 HIS 71 HD1 HIS 71 20.912 -0.338 0.646
612 HD2 HIS 71 HD2 HIS 71 19.976 3.648 -0.106
613 HE1 HIS 71 HE1 HIS 71 20.058 -0.271 -1.720
614 HE2 HIS 71 HE2 HIS 71 19.665 2.173 -2.209
615 H HIS 72 H HIS 72 21.731 0.479 4.443
616 HA HIS 72 HA HIS 72 21.421 1.891 6.979
617 HB2 HIS 72 HB2 HIS 72 21.540 -0.667 6.742
618 HB3 HIS 72 HB3 HIS 72 23.256 -0.443 6.422
619 HD1 HIS 72 HD1 HIS 72 24.645 -0.765 8.444
620 HD2 HIS 72 HD2 HIS 72 20.861 0.718 9.369
621 HE1 HIS 72 HE1 HIS 72 24.579 -0.563 10.954
622 HE2 HIS 72 HE2 HIS 72 22.356 0.508 11.470
623 H HIS 73 H HIS 73 22.988 3.188 7.865
624 HA HIS 73 HA HIS 73 24.706 4.543 6.133
625 HB2 HIS 73 HB2 HIS 73 23.865 4.857 8.770
626 HB3 HIS 73 HB3 HIS 73 25.615 4.692 8.886
627 HD1 HIS 73 HD1 HIS 73 26.981 6.726 8.334
628 HD2 HIS 73 HD2 HIS 73 23.040 7.021 7.019
629 HE1 HIS 73 HE1 HIS 73 26.721 9.077 7.476
630 HE2 HIS 73 HE2 HIS 73 24.385 9.181 6.530
631 H HIS 74 H HIS 74 25.343 1.842 8.298
632 HA HIS 74 HA HIS 74 27.958 1.556 6.981
633 HB2 HIS 74 HB2 HIS 74 27.110 0.684 9.752
634 HB3 HIS 74 HB3 HIS 74 28.590 0.132 8.975
635 HD1 HIS 74 HD1 HIS 74 30.419 2.015 8.487
636 HD2 HIS 74 HD2 HIS 74 27.276 3.137 10.974
637 HE1 HIS 74 HE1 HIS 74 31.174 4.121 9.632
638 HE2 HIS 74 HE2 HIS 74 29.323 4.698 11.241
Start of MODEL 4
1 H1 MET 1 H1 MET 1 -15.803 7.153 -16.238
2 H2 MET 1 H2 MET 1 -16.056 7.874 -17.751
3 H3 MET 1 H3 MET 1 -15.493 6.281 -17.657
4 HA MET 1 HA MET 1 -18.124 7.202 -16.682
5 HB2 MET 1 HB2 MET 1 -17.383 5.699 -19.200
6 HB3 MET 1 HB3 MET 1 -19.027 5.876 -18.602
7 HG2 MET 1 HG2 MET 1 -18.849 8.302 -18.842
8 HG3 MET 1 HG3 MET 1 -17.204 8.115 -19.450
9 HE1 MET 1 HE1 MET 1 -17.911 9.572 -21.574
10 HE2 MET 1 HE2 MET 1 -19.566 9.691 -20.976
11 HE3 MET 1 HE3 MET 1 -19.263 9.165 -22.631
12 H ASN 2 H ASN 2 -16.098 4.407 -17.604
13 HA ASN 2 HA ASN 2 -17.783 2.611 -16.113
14 HB2 ASN 2 HB2 ASN 2 -15.234 2.232 -17.663
15 HB3 ASN 2 HB3 ASN 2 -15.905 0.941 -16.670
16 HD21 ASN 2 HD21 ASN 2 -17.819 -0.045 -17.280
17 HD22 ASN 2 HD22 ASN 2 -18.501 0.161 -18.860
18 H GLN 3 H GLN 3 -17.612 3.746 -14.130
19 HA GLN 3 HA GLN 3 -15.920 2.300 -12.354
20 HB2 GLN 3 HB2 GLN 3 -14.381 4.163 -13.059
21 HB3 GLN 3 HB3 GLN 3 -15.548 5.308 -12.411
22 HG2 GLN 3 HG2 GLN 3 -15.261 4.387 -10.192
23 HG3 GLN 3 HG3 GLN 3 -14.152 3.170 -10.817
24 HE21 GLN 3 HE21 GLN 3 -12.875 5.068 -12.658
25 HE22 GLN 3 HE22 GLN 3 -11.859 6.058 -11.663
26 H ASN 4 H ASN 4 -17.960 1.651 -11.687
27 HA ASN 4 HA ASN 4 -19.604 3.725 -10.378
28 HB2 ASN 4 HB2 ASN 4 -21.613 2.637 -11.225
29 HB3 ASN 4 HB3 ASN 4 -20.555 3.073 -12.565
30 HD21 ASN 4 HD21 ASN 4 -22.152 0.558 -10.909
31 HD22 ASN 4 HD22 ASN 4 -21.602 -0.750 -11.907
32 H LEU 5 H LEU 5 -17.850 0.986 -9.907
33 HA LEU 5 HA LEU 5 -19.586 -0.407 -8.106
34 HB2 LEU 5 HB2 LEU 5 -16.603 -0.586 -8.529
35 HB3 LEU 5 HB3 LEU 5 -17.510 -1.644 -7.467
36 HG LEU 5 HG LEU 5 -17.840 -1.435 -10.461
37 HD11 LEU 5 HD11 LEU 5 -16.950 -3.725 -10.452
38 HD12 LEU 5 HD12 LEU 5 -16.666 -3.595 -8.716
39 HD13 LEU 5 HD13 LEU 5 -15.788 -2.552 -9.836
40 HD21 LEU 5 HD21 LEU 5 -19.355 -3.348 -10.212
41 HD22 LEU 5 HD22 LEU 5 -19.964 -1.920 -9.379
42 HD23 LEU 5 HD23 LEU 5 -19.217 -3.224 -8.458
43 H GLN 6 H GLN 6 -16.981 1.925 -7.788
44 HA GLN 6 HA GLN 6 -16.293 3.285 -6.129
45 HB2 GLN 6 HB2 GLN 6 -18.947 2.525 -4.929
46 HB3 GLN 6 HB3 GLN 6 -17.842 3.656 -4.165
47 HG2 GLN 6 HG2 GLN 6 -17.951 5.071 -6.175
48 HG3 GLN 6 HG3 GLN 6 -19.134 3.958 -6.860
49 HE21 GLN 6 HE21 GLN 6 -20.678 5.583 -6.976
50 HE22 GLN 6 HE22 GLN 6 -21.509 6.164 -5.565
51 H GLY 7 H GLY 7 -15.028 3.227 -4.333
52 HA2 GLY 7 HA2 GLY 7 -14.010 2.404 -2.447
53 HA3 GLY 7 HA3 GLY 7 -15.341 1.269 -2.287
54 H GLU 8 H GLU 8 -13.228 1.507 -5.108
55 HA GLU 8 HA GLU 8 -12.636 -1.251 -5.064
56 HB2 GLU 8 HB2 GLU 8 -12.492 0.332 -7.060
57 HB3 GLU 8 HB3 GLU 8 -10.940 0.844 -6.421
58 HG2 GLU 8 HG2 GLU 8 -11.486 -2.045 -6.975
59 HG3 GLU 8 HG3 GLU 8 -11.022 -0.954 -8.266
60 H TRP 9 H TRP 9 -11.144 1.533 -3.600
61 HA TRP 9 HA TRP 9 -8.733 0.366 -2.769
62 HB2 TRP 9 HB2 TRP 9 -8.968 2.714 -2.514
63 HB3 TRP 9 HB3 TRP 9 -10.451 2.549 -1.592
64 HD1 TRP 9 HD1 TRP 9 -9.822 3.638 0.648
65 HE1 TRP 9 HE1 TRP 9 -8.046 3.199 2.458
66 HE3 TRP 9 HE3 TRP 9 -6.958 0.189 -1.823
67 HZ2 TRP 9 HZ2 TRP 9 -5.746 1.614 2.794
68 HZ3 TRP 9 HZ3 TRP 9 -4.986 -0.737 -0.681
69 HH2 TRP 9 HH2 TRP 9 -4.394 -0.041 1.578
70 H MET 10 H MET 10 -11.897 0.511 -1.168
71 HA MET 10 HA MET 10 -11.152 -0.903 1.145
72 HB2 MET 10 HB2 MET 10 -13.887 -0.842 -0.141
73 HB3 MET 10 HB3 MET 10 -13.523 -1.247 1.531
74 HG2 MET 10 HG2 MET 10 -13.297 1.429 0.185
75 HG3 MET 10 HG3 MET 10 -14.357 0.963 1.512
76 HE1 MET 10 HE1 MET 10 -13.468 0.451 4.002
77 HE2 MET 10 HE2 MET 10 -11.762 0.508 4.447
78 HE3 MET 10 HE3 MET 10 -12.342 -0.732 3.336
79 H LYS 11 H LYS 11 -12.089 -1.933 -2.029
80 HA LYS 11 HA LYS 11 -12.313 -4.724 -1.382
81 HB2 LYS 11 HB2 LYS 11 -13.514 -3.580 -3.264
82 HB3 LYS 11 HB3 LYS 11 -11.971 -3.373 -4.076
83 HG2 LYS 11 HG2 LYS 11 -13.008 -6.083 -3.322
84 HG3 LYS 11 HG3 LYS 11 -13.473 -5.290 -4.827
85 HD2 LYS 11 HD2 LYS 11 -10.673 -5.977 -3.951
86 HD3 LYS 11 HD3 LYS 11 -11.607 -6.795 -5.202
87 HE2 LYS 11 HE2 LYS 11 -11.553 -4.880 -6.599
88 HE3 LYS 11 HE3 LYS 11 -10.894 -3.880 -5.304
89 HZ1 LYS 11 HZ1 LYS 11 -9.547 -5.988 -6.868
90 HZ2 LYS 11 HZ2 LYS 11 -8.959 -5.524 -5.347
91 HZ3 LYS 11 HZ3 LYS 11 -9.066 -4.380 -6.601
92 H ASN 12 H ASN 12 -9.944 -2.693 -3.064
93 HA ASN 12 HA ASN 12 -7.943 -4.492 -3.706
94 HB2 ASN 12 HB2 ASN 12 -8.259 -1.825 -3.937
95 HB3 ASN 12 HB3 ASN 12 -7.118 -1.853 -2.603
96 HD21 ASN 12 HD21 ASN 12 -7.604 -2.206 -5.933
97 HD22 ASN 12 HD22 ASN 12 -5.965 -2.514 -6.378
98 H TYR 13 H TYR 13 -8.642 -2.934 -0.661
99 HA TYR 13 HA TYR 13 -6.324 -3.356 0.763
100 HB2 TYR 13 HB2 TYR 13 -8.379 -2.069 1.476
101 HB3 TYR 13 HB3 TYR 13 -9.108 -3.609 1.904
102 HD1 TYR 13 HD1 TYR 13 -6.323 -1.303 2.697
103 HD2 TYR 13 HD2 TYR 13 -8.609 -4.658 3.975
104 HE1 TYR 13 HE1 TYR 13 -5.315 -1.127 4.934
105 HE2 TYR 13 HE2 TYR 13 -7.596 -4.500 6.210
106 HH TYR 13 HH TYR 13 -5.593 -3.582 7.287
107 H GLU 14 H GLU 14 -8.966 -5.608 0.117
108 HA GLU 14 HA GLU 14 -8.206 -7.589 1.971
109 HB2 GLU 14 HB2 GLU 14 -9.797 -7.744 -0.585
110 HB3 GLU 14 HB3 GLU 14 -9.597 -9.103 0.513
111 HG2 GLU 14 HG2 GLU 14 -10.841 -6.457 1.227
112 HG3 GLU 14 HG3 GLU 14 -11.723 -7.932 0.830
113 H GLU 15 H GLU 15 -7.414 -7.148 -1.461
114 HA GLU 15 HA GLU 15 -5.953 -9.538 -1.779
115 HB2 GLU 15 HB2 GLU 15 -5.778 -6.902 -3.239
116 HB3 GLU 15 HB3 GLU 15 -4.825 -8.305 -3.691
117 HG2 GLU 15 HG2 GLU 15 -6.645 -8.304 -5.143
118 HG3 GLU 15 HG3 GLU 15 -7.021 -9.538 -3.943
119 H LEU 16 H LEU 16 -5.044 -6.340 -0.649
120 HA LEU 16 HA LEU 16 -2.217 -6.879 -0.792
121 HB2 LEU 16 HB2 LEU 16 -3.196 -4.617 -1.145
122 HB3 LEU 16 HB3 LEU 16 -3.707 -4.607 0.529
123 HG LEU 16 HG LEU 16 -1.298 -4.788 1.191
124 HD11 LEU 16 HD11 LEU 16 0.393 -4.232 -0.466
125 HD12 LEU 16 HD12 LEU 16 -0.835 -4.212 -1.730
126 HD13 LEU 16 HD13 LEU 16 -0.447 -5.720 -0.902
127 HD21 LEU 16 HD21 LEU 16 -2.473 -2.673 1.254
128 HD22 LEU 16 HD22 LEU 16 -2.125 -2.405 -0.453
129 HD23 LEU 16 HD23 LEU 16 -0.811 -2.432 0.723
130 H LYS 17 H LYS 17 -4.669 -6.453 1.658
131 HA LYS 17 HA LYS 17 -3.289 -6.752 4.006
132 HB2 LYS 17 HB2 LYS 17 -5.652 -6.208 3.804
133 HB3 LYS 17 HB3 LYS 17 -6.000 -7.817 3.214
134 HG2 LYS 17 HG2 LYS 17 -5.267 -8.719 5.389
135 HG3 LYS 17 HG3 LYS 17 -5.091 -7.058 5.968
136 HD2 LYS 17 HD2 LYS 17 -7.424 -6.625 5.620
137 HD3 LYS 17 HD3 LYS 17 -7.640 -8.182 4.819
138 HE2 LYS 17 HE2 LYS 17 -7.017 -9.292 6.957
139 HE3 LYS 17 HE3 LYS 17 -6.983 -7.701 7.722
140 HZ1 LYS 17 HZ1 LYS 17 -9.307 -7.415 7.197
141 HZ2 LYS 17 HZ2 LYS 17 -9.101 -8.855 8.058
142 HZ3 LYS 17 HZ3 LYS 17 -9.349 -8.901 6.381
143 H SER 18 H SER 18 -4.722 -9.296 2.008
144 HA SER 18 HA SER 18 -3.910 -11.418 3.710
145 HB2 SER 18 HB2 SER 18 -4.729 -11.554 0.796
146 HB3 SER 18 HB3 SER 18 -4.759 -12.873 1.964
147 HG SER 18 HG SER 18 -6.444 -10.634 1.738
148 H PHE 19 H PHE 19 -2.514 -9.888 0.842
149 HA PHE 19 HA PHE 19 -0.653 -12.051 0.430
150 HB2 PHE 19 HB2 PHE 19 -1.595 -10.447 -1.361
151 HB3 PHE 19 HB3 PHE 19 -0.352 -9.327 -0.805
152 HD1 PHE 19 HD2 PHE 19 -0.970 -12.581 -2.383
153 HD2 PHE 19 HD1 PHE 19 1.954 -9.689 -1.307
154 HE1 PHE 19 HE2 PHE 19 0.685 -13.742 -3.784
155 HE2 PHE 19 HE1 PHE 19 3.615 -10.846 -2.701
156 HZ PHE 19 HZ PHE 19 2.982 -12.877 -3.941
157 H VAL 20 H VAL 20 -0.422 -8.738 1.668
158 HA VAL 20 HA VAL 20 2.321 -8.754 2.228
159 HB VAL 20 HB VAL 20 0.063 -7.196 3.487
160 HG11 VAL 20 HG11 VAL 20 1.891 -7.368 5.091
161 HG12 VAL 20 HG12 VAL 20 1.776 -5.731 4.442
162 HG13 VAL 20 HG13 VAL 20 3.032 -6.826 3.860
163 HG21 VAL 20 HG21 VAL 20 0.499 -6.726 1.133
164 HG22 VAL 20 HG22 VAL 20 2.202 -6.443 1.498
165 HG23 VAL 20 HG23 VAL 20 0.970 -5.362 2.147
166 H ARG 21 H ARG 21 -0.427 -9.949 4.085
167 HA ARG 21 HA ARG 21 0.898 -10.446 6.494
168 HB2 ARG 21 HB2 ARG 21 -1.488 -10.657 6.390
169 HB3 ARG 21 HB3 ARG 21 -1.386 -11.911 5.165
170 HG2 ARG 21 HG2 ARG 21 -0.070 -12.440 7.768
171 HG3 ARG 21 HG3 ARG 21 -1.836 -12.444 7.723
172 HD2 ARG 21 HD2 ARG 21 -1.890 -14.175 6.124
173 HD3 ARG 21 HD3 ARG 21 -0.177 -13.998 5.757
174 HE ARG 21 HE ARG 21 0.192 -14.845 8.104
175 HH11 ARG 21 HH11 ARG 21 -2.744 -15.577 6.360
176 HH12 ARG 21 HH12 ARG 21 -2.925 -17.166 7.044
177 HH21 ARG 21 HH21 ARG 21 -0.024 -16.937 9.023
178 HH22 ARG 21 HH22 ARG 21 -1.373 -17.934 8.565
179 H LYS 22 H LYS 22 1.082 -12.076 3.443
180 HA LYS 22 HA LYS 22 2.340 -14.424 4.605
181 HB2 LYS 22 HB2 LYS 22 0.631 -14.612 2.799
182 HB3 LYS 22 HB3 LYS 22 1.753 -13.810 1.708
183 HG2 LYS 22 HG2 LYS 22 3.322 -15.631 1.918
184 HG3 LYS 22 HG3 LYS 22 2.292 -16.415 3.118
185 HD2 LYS 22 HD2 LYS 22 0.507 -16.594 1.423
186 HD3 LYS 22 HD3 LYS 22 1.598 -15.889 0.229
187 HE2 LYS 22 HE2 LYS 22 3.130 -17.765 0.508
188 HE3 LYS 22 HE3 LYS 22 2.072 -18.462 1.736
189 HZ1 LYS 22 HZ1 LYS 22 0.326 -18.612 0.026
190 HZ2 LYS 22 HZ2 LYS 22 1.690 -19.543 -0.353
191 HZ3 LYS 22 HZ3 LYS 22 1.426 -18.064 -1.139
192 H TYR 23 H TYR 23 3.180 -12.132 1.972
193 HA TYR 23 HA TYR 23 5.983 -12.963 2.311
194 HB2 TYR 23 HB2 TYR 23 4.522 -11.664 0.021
195 HB3 TYR 23 HB3 TYR 23 6.276 -11.770 0.077
196 HD1 TYR 23 HD1 TYR 23 7.364 -14.016 0.072
197 HD2 TYR 23 HD2 TYR 23 3.200 -13.527 -0.628
198 HE1 TYR 23 HE1 TYR 23 7.280 -16.252 -0.941
199 HE2 TYR 23 HE2 TYR 23 3.106 -15.764 -1.642
200 HH TYR 23 HH TYR 23 5.696 -18.004 -1.400
201 H ARG 24 H ARG 24 4.004 -10.483 3.244
202 HA ARG 24 HA ARG 24 4.321 -8.432 4.159
203 HB2 ARG 24 HB2 ARG 24 7.266 -9.081 3.929
204 HB3 ARG 24 HB3 ARG 24 6.596 -7.722 4.822
205 HG2 ARG 24 HG2 ARG 24 6.298 -10.652 5.421
206 HG3 ARG 24 HG3 ARG 24 7.054 -9.400 6.416
207 HD2 ARG 24 HD2 ARG 24 4.874 -8.312 6.673
208 HD3 ARG 24 HD3 ARG 24 4.132 -9.566 5.687
209 HE ARG 24 HE ARG 24 5.488 -10.704 7.903
210 HH11 ARG 24 HH11 ARG 24 2.579 -8.959 7.048
211 HH12 ARG 24 HH12 ARG 24 1.624 -9.663 8.318
212 HH21 ARG 24 HH21 ARG 24 4.241 -11.649 9.563
213 HH22 ARG 24 HH22 ARG 24 2.569 -11.193 9.748
214 H ARG 25 H ARG 25 5.014 -9.198 1.143
215 HA ARG 25 HA ARG 25 4.861 -6.587 0.045
216 HB2 ARG 25 HB2 ARG 25 7.520 -7.973 0.164
217 HB3 ARG 25 HB3 ARG 25 7.108 -7.069 -1.285
218 HG2 ARG 25 HG2 ARG 25 6.869 -5.042 0.002
219 HG3 ARG 25 HG3 ARG 25 7.143 -5.933 1.502
220 HD2 ARG 25 HD2 ARG 25 9.388 -6.372 0.951
221 HD3 ARG 25 HD3 ARG 25 9.144 -5.902 -0.729
222 HE ARG 25 HE ARG 25 8.562 -3.685 0.852
223 HH11 ARG 25 HH11 ARG 25 11.357 -5.691 0.151
224 HH12 ARG 25 HH12 ARG 25 12.488 -4.380 0.350
225 HH21 ARG 25 HH21 ARG 25 10.018 -1.982 1.065
226 HH22 ARG 25 HH22 ARG 25 11.724 -2.264 0.867
227 H PHE 26 H PHE 26 5.080 -6.782 -2.423
228 HA PHE 26 HA PHE 26 4.631 -9.534 -3.316
229 HB2 PHE 26 HB2 PHE 26 3.091 -8.594 -5.107
230 HB3 PHE 26 HB3 PHE 26 2.459 -8.617 -3.466
231 HD1 PHE 26 HD1 PHE 26 2.495 -6.442 -2.139
232 HD2 PHE 26 HD2 PHE 26 3.139 -6.617 -6.344
233 HE1 PHE 26 HE1 PHE 26 1.904 -4.062 -2.326
234 HE2 PHE 26 HE2 PHE 26 2.558 -4.233 -6.536
235 HZ PHE 26 HZ PHE 26 1.937 -2.955 -4.527
236 HA PRO 27 HA PRO 27 8.250 -7.872 -5.524
237 HB2 PRO 27 HB2 PRO 27 9.109 -10.666 -5.530
238 HB3 PRO 27 HB3 PRO 27 9.908 -9.256 -4.830
239 HG2 PRO 27 HG2 PRO 27 8.790 -11.195 -3.310
240 HG3 PRO 27 HG3 PRO 27 8.851 -9.497 -2.802
241 HD2 PRO 27 HD2 PRO 27 6.573 -11.045 -3.982
242 HD3 PRO 27 HD3 PRO 27 6.565 -9.865 -2.652
243 H LYS 28 H LYS 28 6.731 -11.028 -6.219
244 HA LYS 28 HA LYS 28 7.207 -10.530 -9.077
245 HB2 LYS 28 HB2 LYS 28 6.455 -13.116 -7.701
246 HB3 LYS 28 HB3 LYS 28 6.887 -12.925 -9.395
247 HG2 LYS 28 HG2 LYS 28 9.142 -12.276 -8.776
248 HG3 LYS 28 HG3 LYS 28 8.716 -12.379 -7.067
249 HD2 LYS 28 HD2 LYS 28 9.896 -14.377 -7.708
250 HD3 LYS 28 HD3 LYS 28 8.212 -14.782 -7.378
251 HE2 LYS 28 HE2 LYS 28 7.739 -14.755 -9.779
252 HE3 LYS 28 HE3 LYS 28 9.425 -14.351 -10.105
253 HZ1 LYS 28 HZ1 LYS 28 8.394 -16.858 -8.891
254 HZ2 LYS 28 HZ2 LYS 28 10.034 -16.460 -8.987
255 HZ3 LYS 28 HZ3 LYS 28 9.136 -16.685 -10.405
256 H SER 29 H SER 29 4.705 -11.370 -6.737
257 HA SER 29 HA SER 29 2.638 -11.497 -8.715
258 HB2 SER 29 HB2 SER 29 2.449 -11.356 -5.708
259 HB3 SER 29 HB3 SER 29 1.105 -11.695 -6.799
260 HG SER 29 HG SER 29 2.951 -13.372 -7.506
261 H THR 30 H THR 30 2.688 -9.540 -9.792
262 HA THR 30 HA THR 30 2.321 -7.086 -8.326
263 HB THR 30 HB THR 30 2.026 -6.170 -10.731
264 HG1 THR 30 HG1 THR 30 2.110 -7.615 -12.271
265 HG21 THR 30 HG21 THR 30 4.631 -7.446 -9.887
266 HG22 THR 30 HG22 THR 30 4.046 -5.862 -9.382
267 HG23 THR 30 HG23 THR 30 4.453 -6.154 -11.073
268 H GLU 31 H GLU 31 0.436 -8.910 -10.733
269 HA GLU 31 HA GLU 31 -1.780 -9.007 -11.211
270 HB2 GLU 31 HB2 GLU 31 -1.992 -9.534 -8.790
271 HB3 GLU 31 HB3 GLU 31 -2.175 -7.821 -8.449
272 HG2 GLU 31 HG2 GLU 31 -4.311 -9.012 -8.445
273 HG3 GLU 31 HG3 GLU 31 -4.252 -7.763 -9.688
274 H GLY 32 H GLY 32 -3.662 -7.630 -11.771
275 HA2 GLY 32 HA2 GLY 32 -2.801 -5.214 -12.944
276 HA3 GLY 32 HA3 GLY 32 -4.473 -5.733 -12.790
277 H ASN 33 H ASN 33 -4.906 -5.766 -10.155
278 HA ASN 33 HA ASN 33 -5.382 -3.043 -9.599
279 HB2 ASN 33 HB2 ASN 33 -5.586 -5.467 -7.796
280 HB3 ASN 33 HB3 ASN 33 -6.242 -3.877 -7.419
281 HD21 ASN 33 HD21 ASN 33 -8.120 -3.211 -8.385
282 HD22 ASN 33 HD22 ASN 33 -9.091 -4.251 -9.370
283 H LEU 34 H LEU 34 -3.235 -5.383 -7.966
284 HA LEU 34 HA LEU 34 -2.306 -3.438 -6.103
285 HB2 LEU 34 HB2 LEU 34 -1.257 -6.173 -6.801
286 HB3 LEU 34 HB3 LEU 34 -0.661 -5.191 -5.481
287 HG LEU 34 HG LEU 34 -3.531 -6.104 -5.687
288 HD11 LEU 34 HD11 LEU 34 -1.262 -7.333 -4.130
289 HD12 LEU 34 HD12 LEU 34 -2.085 -8.055 -5.511
290 HD13 LEU 34 HD13 LEU 34 -2.964 -7.782 -4.007
291 HD21 LEU 34 HD21 LEU 34 -3.588 -5.526 -3.310
292 HD22 LEU 34 HD22 LEU 34 -3.164 -4.127 -4.301
293 HD23 LEU 34 HD23 LEU 34 -1.912 -4.986 -3.401
294 H GLY 35 H GLY 35 -0.971 -4.816 -9.080
295 HA2 GLY 35 HA2 GLY 35 1.585 -3.690 -8.961
296 HA3 GLY 35 HA3 GLY 35 0.724 -4.082 -10.444
297 H GLY 36 H GLY 36 -1.422 -2.364 -10.253
298 HA2 GLY 36 HA2 GLY 36 -0.218 0.103 -11.092
299 HA3 GLY 36 HA3 GLY 36 -1.942 -0.235 -10.994
300 H TRP 37 H TRP 37 -1.976 -1.017 -8.276
301 HA TRP 37 HA TRP 37 -2.333 1.329 -6.835
302 HB2 TRP 37 HB2 TRP 37 -2.965 -1.130 -6.289
303 HB3 TRP 37 HB3 TRP 37 -1.372 -1.211 -5.544
304 HD1 TRP 37 HD1 TRP 37 -4.666 0.746 -5.258
305 HE1 TRP 37 HE1 TRP 37 -4.901 1.576 -2.854
306 HE3 TRP 37 HE3 TRP 37 -0.143 -0.778 -3.436
307 HZ2 TRP 37 HZ2 TRP 37 -3.372 1.566 -0.459
308 HZ3 TRP 37 HZ3 TRP 37 0.393 -0.333 -1.078
309 HH2 TRP 37 HH2 TRP 37 -1.189 0.817 0.376
310 H CYS 38 H CYS 38 0.423 -0.898 -6.812
311 HA CYS 38 HA CYS 38 2.091 0.600 -5.125
312 HB2 CYS 38 HB2 CYS 38 2.417 -1.791 -5.654
313 HB3 CYS 38 HB3 CYS 38 2.867 -1.357 -7.298
314 HG CYS 38 HG CYS 38 5.103 -2.098 -5.633
315 H HIS 39 H HIS 39 1.876 0.493 -8.681
316 HA HIS 39 HA HIS 39 4.084 2.098 -9.251
317 HB2 HIS 39 HB2 HIS 39 1.544 1.537 -10.754
318 HB3 HIS 39 HB3 HIS 39 2.734 2.666 -11.392
319 HD1 HIS 39 HD1 HIS 39 1.878 -0.323 -12.457
320 HD2 HIS 39 HD2 HIS 39 5.419 0.847 -10.611
321 HE1 HIS 39 HE1 HIS 39 3.600 -2.011 -13.156
322 HE2 HIS 39 HE2 HIS 39 5.772 -1.189 -12.170
323 H THR 40 H THR 40 0.712 3.060 -8.724
324 HA THR 40 HA THR 40 1.089 5.803 -9.230
325 HB THR 40 HB THR 40 -0.979 4.470 -7.471
326 HG1 THR 40 HG1 THR 40 -0.948 5.140 -10.251
327 HG21 THR 40 HG21 THR 40 -2.331 6.482 -7.940
328 HG22 THR 40 HG22 THR 40 -0.950 7.195 -8.774
329 HG23 THR 40 HG23 THR 40 -0.858 6.860 -7.046
330 H GLN 41 H GLN 41 1.182 3.951 -6.185
331 HA GLN 41 HA GLN 41 1.463 6.410 -4.701
332 HB2 GLN 41 HB2 GLN 41 1.010 3.567 -3.967
333 HB3 GLN 41 HB3 GLN 41 1.580 4.702 -2.744
334 HG2 GLN 41 HG2 GLN 41 -0.346 5.937 -2.786
335 HG3 GLN 41 HG3 GLN 41 -0.719 5.493 -4.449
336 HE21 GLN 41 HE21 GLN 41 -1.761 3.593 -4.872
337 HE22 GLN 41 HE22 GLN 41 -2.558 2.675 -3.646
338 H ARG 42 H ARG 42 3.609 3.854 -5.780
339 HA ARG 42 HA ARG 42 5.784 4.479 -4.091
340 HB2 ARG 42 HB2 ARG 42 5.692 2.482 -5.592
341 HB3 ARG 42 HB3 ARG 42 5.909 3.543 -6.974
342 HG2 ARG 42 HG2 ARG 42 7.926 3.565 -4.771
343 HG3 ARG 42 HG3 ARG 42 7.939 2.263 -5.958
344 HD2 ARG 42 HD2 ARG 42 7.920 5.152 -6.778
345 HD3 ARG 42 HD3 ARG 42 9.419 4.309 -6.394
346 HE ARG 42 HE ARG 42 9.077 2.908 -8.273
347 HH11 ARG 42 HH11 ARG 42 6.753 5.516 -8.040
348 HH12 ARG 42 HH12 ARG 42 6.255 5.395 -9.702
349 HH21 ARG 42 HH21 ARG 42 8.457 2.775 -10.464
350 HH22 ARG 42 HH22 ARG 42 7.210 3.827 -11.072
351 H LYS 43 H LYS 43 4.507 5.912 -6.994
352 HA LYS 43 HA LYS 43 6.531 7.781 -7.531
353 HB2 LYS 43 HB2 LYS 43 4.926 7.487 -9.210
354 HB3 LYS 43 HB3 LYS 43 3.584 7.651 -8.089
355 HG2 LYS 43 HG2 LYS 43 4.044 10.027 -7.875
356 HG3 LYS 43 HG3 LYS 43 5.410 9.865 -8.982
357 HD2 LYS 43 HD2 LYS 43 4.005 9.363 -10.802
358 HD3 LYS 43 HD3 LYS 43 2.620 9.053 -9.750
359 HE2 LYS 43 HE2 LYS 43 2.394 11.347 -9.222
360 HE3 LYS 43 HE3 LYS 43 3.951 11.734 -9.942
361 HZ1 LYS 43 HZ1 LYS 43 1.564 10.773 -11.426
362 HZ2 LYS 43 HZ2 LYS 43 3.050 11.210 -12.112
363 HZ3 LYS 43 HZ3 LYS 43 2.090 12.385 -11.363
364 H MET 44 H MET 44 3.536 8.119 -5.636
365 HA MET 44 HA MET 44 3.985 10.718 -4.698
366 HB2 MET 44 HB2 MET 44 2.572 8.602 -3.089
367 HB3 MET 44 HB3 MET 44 2.248 10.328 -3.139
368 HG2 MET 44 HG2 MET 44 1.666 8.290 -5.264
369 HG3 MET 44 HG3 MET 44 0.510 9.217 -4.310
370 HE1 MET 44 HE1 MET 44 0.825 8.805 -7.557
371 HE2 MET 44 HE2 MET 44 0.315 10.397 -8.124
372 HE3 MET 44 HE3 MET 44 -0.577 9.596 -6.830
373 H ARG 45 H ARG 45 5.058 7.602 -3.510
374 HA ARG 45 HA ARG 45 6.145 8.401 -1.036
375 HB2 ARG 45 HB2 ARG 45 5.786 6.038 -1.953
376 HB3 ARG 45 HB3 ARG 45 7.283 6.259 -2.840
377 HG2 ARG 45 HG2 ARG 45 7.120 6.509 0.152
378 HG3 ARG 45 HG3 ARG 45 7.415 4.975 -0.663
379 HD2 ARG 45 HD2 ARG 45 9.365 6.172 -1.813
380 HD3 ARG 45 HD3 ARG 45 9.146 7.432 -0.597
381 HE ARG 45 HE ARG 45 9.610 4.630 0.189
382 HH11 ARG 45 HH11 ARG 45 10.533 8.022 0.317
383 HH12 ARG 45 HH12 ARG 45 11.744 7.762 1.523
384 HH21 ARG 45 HH21 ARG 45 11.206 4.300 1.753
385 HH22 ARG 45 HH22 ARG 45 12.144 5.654 2.343
386 H LYS 46 H LYS 46 7.569 8.136 -4.255
387 HA LYS 46 HA LYS 46 10.155 9.065 -3.571
388 HB2 LYS 46 HB2 LYS 46 9.970 7.854 -5.580
389 HB3 LYS 46 HB3 LYS 46 8.616 8.823 -6.142
390 HG2 LYS 46 HG2 LYS 46 10.385 10.755 -6.088
391 HG3 LYS 46 HG3 LYS 46 11.526 9.412 -6.202
392 HD2 LYS 46 HD2 LYS 46 10.551 8.654 -8.231
393 HD3 LYS 46 HD3 LYS 46 9.186 9.759 -8.058
394 HE2 LYS 46 HE2 LYS 46 10.674 10.669 -9.677
395 HE3 LYS 46 HE3 LYS 46 10.780 11.652 -8.222
396 HZ1 LYS 46 HZ1 LYS 46 12.709 9.534 -9.012
397 HZ2 LYS 46 HZ2 LYS 46 12.811 10.497 -7.618
398 HZ3 LYS 46 HZ3 LYS 46 12.965 11.203 -9.149
399 H GLN 47 H GLN 47 7.394 10.682 -5.115
400 HA GLN 47 HA GLN 47 8.514 13.234 -5.303
401 HB2 GLN 47 HB2 GLN 47 5.659 12.305 -5.083
402 HB3 GLN 47 HB3 GLN 47 6.075 13.996 -5.306
403 HG2 GLN 47 HG2 GLN 47 7.222 13.420 -7.398
404 HG3 GLN 47 HG3 GLN 47 6.762 11.734 -7.168
405 HE21 GLN 47 HE21 GLN 47 4.142 12.396 -6.096
406 HE22 GLN 47 HE22 GLN 47 3.179 12.925 -7.430
407 H GLY 48 H GLY 48 6.976 11.629 -2.599
408 HA2 GLY 48 HA2 GLY 48 7.264 12.216 -0.349
409 HA3 GLY 48 HA3 GLY 48 7.869 13.786 -0.860
410 H LYS 49 H LYS 49 4.851 12.204 -1.799
411 HA LYS 49 HA LYS 49 3.369 14.236 -0.275
412 HB2 LYS 49 HB2 LYS 49 1.765 14.384 -2.188
413 HB3 LYS 49 HB3 LYS 49 3.343 15.091 -2.479
414 HG2 LYS 49 HG2 LYS 49 3.976 13.387 -3.933
415 HG3 LYS 49 HG3 LYS 49 2.713 12.302 -3.349
416 HD2 LYS 49 HD2 LYS 49 2.102 14.887 -4.761
417 HD3 LYS 49 HD3 LYS 49 2.333 13.366 -5.625
418 HE2 LYS 49 HE2 LYS 49 0.527 12.361 -4.281
419 HE3 LYS 49 HE3 LYS 49 0.275 13.914 -3.488
420 HZ1 LYS 49 HZ1 LYS 49 0.087 13.610 -6.427
421 HZ2 LYS 49 HZ2 LYS 49 -0.520 14.866 -5.456
422 HZ3 LYS 49 HZ3 LYS 49 -1.238 13.333 -5.410
423 H LEU 50 H LEU 50 3.951 11.165 -0.411
424 HA LEU 50 HA LEU 50 1.428 9.896 -0.522
425 HB2 LEU 50 HB2 LEU 50 4.131 9.204 0.316
426 HB3 LEU 50 HB3 LEU 50 2.924 8.475 1.352
427 HG LEU 50 HG LEU 50 3.266 8.087 -1.617
428 HD11 LEU 50 HD11 LEU 50 4.810 6.845 -0.208
429 HD12 LEU 50 HD12 LEU 50 3.645 5.762 -0.967
430 HD13 LEU 50 HD13 LEU 50 3.459 6.205 0.731
431 HD21 LEU 50 HD21 LEU 50 1.381 6.551 -1.514
432 HD22 LEU 50 HD22 LEU 50 0.879 8.187 -1.085
433 HD23 LEU 50 HD23 LEU 50 1.111 6.975 0.177
434 HA PRO 51 HA PRO 51 -0.321 11.269 3.372
435 HB2 PRO 51 HB2 PRO 51 -1.919 8.802 3.275
436 HB3 PRO 51 HB3 PRO 51 -2.453 10.485 3.258
437 HG2 PRO 51 HG2 PRO 51 -2.604 8.916 1.077
438 HG3 PRO 51 HG3 PRO 51 -2.274 10.654 0.968
439 HD2 PRO 51 HD2 PRO 51 -0.376 8.349 0.763
440 HD3 PRO 51 HD3 PRO 51 -0.426 9.858 -0.165
441 H ASN 52 H ASN 52 0.311 10.953 5.363
442 HA ASN 52 HA ASN 52 2.068 8.922 6.168
443 HB2 ASN 52 HB2 ASN 52 1.696 11.222 7.243
444 HB3 ASN 52 HB3 ASN 52 0.322 10.491 8.070
445 HD21 ASN 52 HD21 ASN 52 3.757 10.646 7.804
446 HD22 ASN 52 HD22 ASN 52 4.127 9.718 9.213
447 H ASP 53 H ASP 53 -1.417 9.306 6.557
448 HA ASP 53 HA ASP 53 -1.989 7.070 8.124
449 HB2 ASP 53 HB2 ASP 53 -3.573 8.397 5.919
450 HB3 ASP 53 HB3 ASP 53 -4.212 7.065 6.871
451 H ARG 54 H ARG 54 -1.581 7.368 4.642
452 HA ARG 54 HA ARG 54 -2.329 4.754 3.933
453 HB2 ARG 54 HB2 ARG 54 -2.207 6.553 2.306
454 HB3 ARG 54 HB3 ARG 54 -0.482 6.729 2.581
455 HG2 ARG 54 HG2 ARG 54 -0.923 5.573 0.502
456 HG3 ARG 54 HG3 ARG 54 -0.102 4.510 1.647
457 HD2 ARG 54 HD2 ARG 54 -2.018 3.487 0.384
458 HD3 ARG 54 HD3 ARG 54 -2.092 3.338 2.136
459 HE ARG 54 HE ARG 54 -3.710 5.192 2.117
460 HH11 ARG 54 HH11 ARG 54 -3.144 3.551 -0.921
461 HH12 ARG 54 HH12 ARG 54 -4.743 3.871 -1.537
462 HH21 ARG 54 HH21 ARG 54 -5.779 5.648 1.311
463 HH22 ARG 54 HH22 ARG 54 -6.234 5.107 -0.279
464 H ARG 55 H ARG 55 0.854 6.208 4.424
465 HA ARG 55 HA ARG 55 2.493 4.004 4.174
466 HB2 ARG 55 HB2 ARG 55 3.154 6.417 4.565
467 HB3 ARG 55 HB3 ARG 55 2.815 6.168 6.267
468 HG2 ARG 55 HG2 ARG 55 4.816 4.497 4.775
469 HG3 ARG 55 HG3 ARG 55 5.241 6.040 5.514
470 HD2 ARG 55 HD2 ARG 55 4.295 5.090 7.673
471 HD3 ARG 55 HD3 ARG 55 4.279 3.527 6.861
472 HE ARG 55 HE ARG 55 6.837 4.752 6.661
473 HH11 ARG 55 HH11 ARG 55 4.764 2.990 8.892
474 HH12 ARG 55 HH12 ARG 55 6.099 2.446 9.865
475 HH21 ARG 55 HH21 ARG 55 8.563 4.012 7.940
476 HH22 ARG 55 HH22 ARG 55 8.242 3.000 9.322
477 H LEU 56 H LEU 56 0.678 5.077 7.028
478 HA LEU 56 HA LEU 56 1.612 3.078 8.785
479 HB2 LEU 56 HB2 LEU 56 -0.565 5.060 8.783
480 HB3 LEU 56 HB3 LEU 56 -0.845 3.644 9.778
481 HG LEU 56 HG LEU 56 1.199 4.079 11.031
482 HD11 LEU 56 HD11 LEU 56 1.478 6.491 9.247
483 HD12 LEU 56 HD12 LEU 56 2.548 5.090 9.292
484 HD13 LEU 56 HD13 LEU 56 2.443 6.167 10.684
485 HD21 LEU 56 HD21 LEU 56 -0.892 5.096 11.778
486 HD22 LEU 56 HD22 LEU 56 -0.548 6.524 10.800
487 HD23 LEU 56 HD23 LEU 56 0.496 6.116 12.164
488 H LEU 57 H LEU 57 -1.221 3.220 6.663
489 HA LEU 57 HA LEU 57 -2.521 0.903 7.446
490 HB2 LEU 57 HB2 LEU 57 -2.205 1.933 4.625
491 HB3 LEU 57 HB3 LEU 57 -3.419 0.789 5.163
492 HG LEU 57 HG LEU 57 -3.197 3.655 6.089
493 HD11 LEU 57 HD11 LEU 57 -5.147 2.346 4.199
494 HD12 LEU 57 HD12 LEU 57 -3.887 3.501 3.759
495 HD13 LEU 57 HD13 LEU 57 -5.232 4.008 4.785
496 HD21 LEU 57 HD21 LEU 57 -4.138 2.200 7.795
497 HD22 LEU 57 HD22 LEU 57 -5.294 1.556 6.625
498 HD23 LEU 57 HD23 LEU 57 -5.380 3.249 7.111
499 H LEU 58 H LEU 58 0.236 1.293 5.304
500 HA LEU 58 HA LEU 58 0.372 -1.415 4.488
501 HB2 LEU 58 HB2 LEU 58 2.249 0.905 4.375
502 HB3 LEU 58 HB3 LEU 58 2.861 -0.701 4.038
503 HG LEU 58 HG LEU 58 2.341 0.402 1.967
504 HD11 LEU 58 HD11 LEU 58 0.732 -1.178 1.002
505 HD12 LEU 58 HD12 LEU 58 0.291 -1.699 2.628
506 HD13 LEU 58 HD13 LEU 58 1.927 -1.975 2.027
507 HD21 LEU 58 HD21 LEU 58 0.063 1.111 1.407
508 HD22 LEU 58 HD22 LEU 58 0.730 2.031 2.756
509 HD23 LEU 58 HD23 LEU 58 -0.444 0.751 3.057
510 H ASP 59 H ASP 59 2.147 0.393 7.032
511 HA ASP 59 HA ASP 59 3.653 -1.944 7.700
512 HB2 ASP 59 HB2 ASP 59 4.703 -0.691 9.419
513 HB3 ASP 59 HB3 ASP 59 4.503 0.389 8.051
514 H LYS 60 H LYS 60 0.587 -0.701 8.654
515 HA LYS 60 HA LYS 60 0.242 -2.113 11.055
516 HB2 LYS 60 HB2 LYS 60 -1.568 -0.947 8.986
517 HB3 LYS 60 HB3 LYS 60 -2.239 -1.982 10.230
518 HG2 LYS 60 HG2 LYS 60 -1.349 -0.535 11.956
519 HG3 LYS 60 HG3 LYS 60 -0.618 0.495 10.727
520 HD2 LYS 60 HD2 LYS 60 -2.854 1.006 9.846
521 HD3 LYS 60 HD3 LYS 60 -3.564 -0.005 11.110
522 HE2 LYS 60 HE2 LYS 60 -2.454 1.445 12.797
523 HE3 LYS 60 HE3 LYS 60 -1.940 2.505 11.490
524 HZ1 LYS 60 HZ1 LYS 60 -4.758 1.884 12.205
525 HZ2 LYS 60 HZ2 LYS 60 -4.263 2.905 10.947
526 HZ3 LYS 60 HZ3 LYS 60 -3.938 3.326 12.554
527 H ILE 61 H ILE 61 -0.385 -3.020 7.675
528 HA ILE 61 HA ILE 61 -1.197 -5.684 8.479
529 HB ILE 61 HB ILE 61 -1.296 -6.174 6.038
530 HG12 ILE 61 HG12 ILE 61 -0.652 -3.233 5.751
531 HG13 ILE 61 HG13 ILE 61 0.412 -4.558 5.293
532 HG21 ILE 61 HG21 ILE 61 -3.281 -4.811 5.632
533 HG22 ILE 61 HG22 ILE 61 -2.828 -3.752 6.965
534 HG23 ILE 61 HG23 ILE 61 -3.253 -5.436 7.281
535 HD11 ILE 61 HD11 ILE 61 -2.274 -3.937 4.086
536 HD12 ILE 61 HD12 ILE 61 -1.226 -5.281 3.629
537 HD13 ILE 61 HD13 ILE 61 -0.699 -3.619 3.360
538 H GLY 62 H GLY 62 1.712 -4.158 8.192
539 HA2 GLY 62 HA2 GLY 62 3.684 -5.283 8.875
540 HA3 GLY 62 HA3 GLY 62 3.033 -6.771 8.214
541 H PHE 63 H PHE 63 2.882 -3.910 6.266
542 HA PHE 63 HA PHE 63 4.580 -5.108 4.286
543 HB2 PHE 63 HB2 PHE 63 2.620 -3.718 3.686
544 HB3 PHE 63 HB3 PHE 63 3.417 -2.315 4.388
545 HD1 PHE 63 HD1 PHE 63 3.511 -4.755 1.629
546 HD2 PHE 63 HD2 PHE 63 5.086 -1.122 3.191
547 HE1 PHE 63 HE1 PHE 63 4.561 -4.280 -0.544
548 HE2 PHE 63 HE2 PHE 63 6.139 -0.644 1.021
549 HZ PHE 63 HZ PHE 63 5.878 -2.219 -0.851
550 H VAL 64 H VAL 64 6.616 -4.745 3.844
551 HA VAL 64 HA VAL 64 8.163 -3.228 5.779
552 HB VAL 64 HB VAL 64 8.963 -5.194 3.632
553 HG11 VAL 64 HG11 VAL 64 10.733 -3.540 3.948
554 HG12 VAL 64 HG12 VAL 64 11.213 -5.110 4.592
555 HG13 VAL 64 HG13 VAL 64 10.699 -3.828 5.687
556 HG21 VAL 64 HG21 VAL 64 9.536 -6.628 5.551
557 HG22 VAL 64 HG22 VAL 64 7.822 -6.209 5.510
558 HG23 VAL 64 HG23 VAL 64 8.904 -5.392 6.637
559 H TRP 65 H TRP 65 9.047 -1.329 5.366
560 HA TRP 65 HA TRP 65 8.934 -0.249 2.631
561 HB2 TRP 65 HB2 TRP 65 9.248 1.107 5.323
562 HB3 TRP 65 HB3 TRP 65 9.333 1.954 3.785
563 HD1 TRP 65 HD1 TRP 65 6.841 0.349 6.190
564 HE1 TRP 65 HE1 TRP 65 4.461 1.046 5.496
565 HE3 TRP 65 HE3 TRP 65 7.917 2.611 1.724
566 HZ2 TRP 65 HZ2 TRP 65 3.212 2.368 3.346
567 HZ3 TRP 65 HZ3 TRP 65 6.065 3.564 0.411
568 HH2 TRP 65 HH2 TRP 65 3.761 3.443 1.209
569 H SER 66 H SER 66 10.946 -2.125 3.812
570 HA SER 66 HA SER 66 13.159 -2.543 3.736
571 HB2 SER 66 HB2 SER 66 13.377 0.191 2.452
572 HB3 SER 66 HB3 SER 66 14.704 -0.956 2.609
573 HG SER 66 HG SER 66 13.750 -2.301 1.182
574 H LEU 67 H LEU 67 15.296 -1.699 4.650
575 HA LEU 67 HA LEU 67 14.705 -0.852 7.327
576 HB2 LEU 67 HB2 LEU 67 17.344 -1.032 7.400
577 HB3 LEU 67 HB3 LEU 67 16.306 -2.442 7.446
578 HG LEU 67 HG LEU 67 16.625 -2.542 4.902
579 HD11 LEU 67 HD11 LEU 67 17.589 -0.349 4.545
580 HD12 LEU 67 HD12 LEU 67 18.747 -1.602 4.092
581 HD13 LEU 67 HD13 LEU 67 18.932 -0.741 5.620
582 HD21 LEU 67 HD21 LEU 67 18.662 -3.820 5.167
583 HD22 LEU 67 HD22 LEU 67 17.558 -4.110 6.516
584 HD23 LEU 67 HD23 LEU 67 18.954 -3.054 6.727
585 H GLU 68 H GLU 68 13.929 1.235 6.110
586 HA GLU 68 HA GLU 68 15.976 3.186 5.639
587 HB2 GLU 68 HB2 GLU 68 13.827 3.341 4.480
588 HB3 GLU 68 HB3 GLU 68 13.007 3.577 6.018
589 HG2 GLU 68 HG2 GLU 68 14.063 5.683 6.350
590 HG3 GLU 68 HG3 GLU 68 15.136 5.425 4.978
591 H HIS 69 H HIS 69 17.186 3.122 7.507
592 HA HIS 69 HA HIS 69 16.095 4.813 9.638
593 HB2 HIS 69 HB2 HIS 69 17.763 2.317 10.040
594 HB3 HIS 69 HB3 HIS 69 17.442 3.503 11.299
595 HD1 HIS 69 HD1 HIS 69 16.272 0.355 10.182
596 HD2 HIS 69 HD2 HIS 69 14.433 3.814 11.576
597 HE1 HIS 69 HE1 HIS 69 13.964 -0.345 10.913
598 HE2 HIS 69 HE2 HIS 69 12.962 1.727 11.948
599 H HIS 70 H HIS 70 17.495 6.384 10.321
600 HA HIS 70 HA HIS 70 19.639 6.945 8.515
601 HB2 HIS 70 HB2 HIS 70 18.587 8.412 10.928
602 HB3 HIS 70 HB3 HIS 70 19.960 8.987 9.986
603 HD1 HIS 70 HD1 HIS 70 16.786 10.039 10.308
604 HD2 HIS 70 HD2 HIS 70 18.802 8.551 6.991
605 HE1 HIS 70 HE1 HIS 70 15.517 10.885 8.304
606 HE2 HIS 70 HE2 HIS 70 16.661 9.835 6.318
607 H HIS 71 H HIS 71 21.661 6.468 8.669
608 HA HIS 71 HA HIS 71 22.783 4.986 10.793
609 HB2 HIS 71 HB2 HIS 71 24.964 5.435 9.607
610 HB3 HIS 71 HB3 HIS 71 23.709 4.720 8.602
611 HD1 HIS 71 HD1 HIS 71 23.123 5.932 6.491
612 HD2 HIS 71 HD2 HIS 71 25.358 8.279 9.097
613 HE1 HIS 71 HE1 HIS 71 23.649 8.041 5.227
614 HE2 HIS 71 HE2 HIS 71 24.780 9.532 6.910
615 H HIS 72 H HIS 72 24.416 5.571 12.284
616 HA HIS 72 HA HIS 72 24.284 8.408 13.058
617 HB2 HIS 72 HB2 HIS 72 23.594 6.257 14.563
618 HB3 HIS 72 HB3 HIS 72 25.290 6.413 15.003
619 HD1 HIS 72 HD1 HIS 72 21.979 8.042 15.370
620 HD2 HIS 72 HD2 HIS 72 25.927 8.776 16.458
621 HE1 HIS 72 HE1 HIS 72 21.881 9.878 17.088
622 HE2 HIS 72 HE2 HIS 72 24.269 10.243 17.806
623 H HIS 73 H HIS 73 26.183 9.519 13.523
624 HA HIS 73 HA HIS 73 28.528 8.633 12.186
625 HB2 HIS 73 HB2 HIS 73 27.890 11.040 12.560
626 HB3 HIS 73 HB3 HIS 73 28.343 10.839 14.248
627 HD1 HIS 73 HD1 HIS 73 29.767 11.331 10.849
628 HD2 HIS 73 HD2 HIS 73 31.141 10.576 14.706
629 HE1 HIS 73 HE1 HIS 73 32.243 11.774 10.789
630 HE2 HIS 73 HE2 HIS 73 33.075 11.230 13.106
631 H HIS 74 H HIS 74 27.819 9.084 15.643
632 HA HIS 74 HA HIS 74 29.285 6.713 16.329
633 HB2 HIS 74 HB2 HIS 74 31.120 8.357 16.127
634 HB3 HIS 74 HB3 HIS 74 30.297 9.410 17.273
635 HD1 HIS 74 HD1 HIS 74 30.830 9.081 19.680
636 HD2 HIS 74 HD2 HIS 74 32.020 5.849 17.346
637 HE1 HIS 74 HE1 HIS 74 32.156 7.592 21.213
638 HE2 HIS 74 HE2 HIS 74 32.753 5.577 19.817
Start of MODEL 5
1 H1 MET 1 H1 MET 1 -21.864 -10.926 -2.514
2 H2 MET 1 H2 MET 1 -21.584 -10.075 -3.952
3 H3 MET 1 H3 MET 1 -20.337 -10.976 -3.247
4 HA MET 1 HA MET 1 -21.494 -13.023 -3.656
5 HB2 MET 1 HB2 MET 1 -23.566 -11.242 -4.955
6 HB3 MET 1 HB3 MET 1 -23.538 -12.994 -5.070
7 HG2 MET 1 HG2 MET 1 -23.886 -13.181 -2.676
8 HG3 MET 1 HG3 MET 1 -23.846 -11.424 -2.521
9 HE1 MET 1 HE1 MET 1 -25.797 -14.510 -3.945
10 HE2 MET 1 HE2 MET 1 -25.521 -13.547 -5.396
11 HE3 MET 1 HE3 MET 1 -27.156 -13.739 -4.763
12 H ASN 2 H ASN 2 -21.977 -10.476 -6.127
13 HA ASN 2 HA ASN 2 -19.960 -11.842 -7.782
14 HB2 ASN 2 HB2 ASN 2 -21.287 -11.591 -9.768
15 HB3 ASN 2 HB3 ASN 2 -22.288 -12.385 -8.560
16 HD21 ASN 2 HD21 ASN 2 -22.911 -10.721 -10.963
17 HD22 ASN 2 HD22 ASN 2 -23.982 -9.491 -10.371
18 H GLN 3 H GLN 3 -19.854 -10.190 -9.918
19 HA GLN 3 HA GLN 3 -18.677 -7.816 -8.789
20 HB2 GLN 3 HB2 GLN 3 -18.076 -7.311 -11.176
21 HB3 GLN 3 HB3 GLN 3 -17.445 -8.830 -10.553
22 HG2 GLN 3 HG2 GLN 3 -19.354 -9.988 -11.670
23 HG3 GLN 3 HG3 GLN 3 -19.782 -8.445 -12.409
24 HE21 GLN 3 HE21 GLN 3 -17.495 -11.051 -12.329
25 HE22 GLN 3 HE22 GLN 3 -16.648 -10.624 -13.781
26 H ASN 4 H ASN 4 -20.481 -6.821 -7.922
27 HA ASN 4 HA ASN 4 -22.490 -5.736 -9.777
28 HB2 ASN 4 HB2 ASN 4 -23.750 -5.178 -7.754
29 HB3 ASN 4 HB3 ASN 4 -23.288 -6.878 -7.730
30 HD21 ASN 4 HD21 ASN 4 -23.919 -4.896 -5.600
31 HD22 ASN 4 HD22 ASN 4 -22.584 -4.984 -4.504
32 H LEU 5 H LEU 5 -19.624 -4.914 -9.215
33 HA LEU 5 HA LEU 5 -18.387 -3.022 -9.290
34 HB2 LEU 5 HB2 LEU 5 -21.036 -1.577 -9.181
35 HB3 LEU 5 HB3 LEU 5 -19.482 -0.791 -9.382
36 HG LEU 5 HG LEU 5 -20.725 -2.752 -11.312
37 HD11 LEU 5 HD11 LEU 5 -20.968 -0.845 -12.790
38 HD12 LEU 5 HD12 LEU 5 -20.294 0.219 -11.555
39 HD13 LEU 5 HD13 LEU 5 -21.845 -0.575 -11.283
40 HD21 LEU 5 HD21 LEU 5 -18.178 -1.153 -11.540
41 HD22 LEU 5 HD22 LEU 5 -18.872 -2.189 -12.789
42 HD23 LEU 5 HD23 LEU 5 -18.282 -2.895 -11.284
43 H GLN 6 H GLN 6 -17.279 -3.190 -7.489
44 HA GLN 6 HA GLN 6 -18.609 -2.654 -4.925
45 HB2 GLN 6 HB2 GLN 6 -16.970 -4.061 -3.920
46 HB3 GLN 6 HB3 GLN 6 -17.485 -4.892 -5.383
47 HG2 GLN 6 HG2 GLN 6 -15.464 -3.718 -6.477
48 HG3 GLN 6 HG3 GLN 6 -14.910 -3.476 -4.824
49 HE21 GLN 6 HE21 GLN 6 -13.667 -4.991 -6.901
50 HE22 GLN 6 HE22 GLN 6 -13.578 -6.633 -6.351
51 H GLY 7 H GLY 7 -17.157 -1.634 -3.241
52 HA2 GLY 7 HA2 GLY 7 -15.750 0.655 -4.195
53 HA3 GLY 7 HA3 GLY 7 -15.715 0.030 -2.547
54 H GLU 8 H GLU 8 -14.144 0.082 -5.622
55 HA GLU 8 HA GLU 8 -12.575 -2.218 -5.398
56 HB2 GLU 8 HB2 GLU 8 -12.973 -0.782 -7.465
57 HB3 GLU 8 HB3 GLU 8 -11.699 0.266 -6.854
58 HG2 GLU 8 HG2 GLU 8 -10.697 -1.195 -8.417
59 HG3 GLU 8 HG3 GLU 8 -10.199 -1.740 -6.819
60 H TRP 9 H TRP 9 -11.961 1.099 -4.324
61 HA TRP 9 HA TRP 9 -9.323 0.752 -3.426
62 HB2 TRP 9 HB2 TRP 9 -10.186 2.965 -3.498
63 HB3 TRP 9 HB3 TRP 9 -11.570 2.545 -2.500
64 HD1 TRP 9 HD1 TRP 9 -11.256 4.094 -0.491
65 HE1 TRP 9 HE1 TRP 9 -9.433 4.435 1.293
66 HE3 TRP 9 HE3 TRP 9 -7.571 1.163 -2.517
67 HZ2 TRP 9 HZ2 TRP 9 -6.801 3.575 1.776
68 HZ3 TRP 9 HZ3 TRP 9 -5.429 0.969 -1.311
69 HH2 TRP 9 HH2 TRP 9 -5.060 2.160 0.785
70 H MET 10 H MET 10 -12.377 0.405 -1.616
71 HA MET 10 HA MET 10 -11.284 -0.479 0.794
72 HB2 MET 10 HB2 MET 10 -13.672 0.166 0.393
73 HB3 MET 10 HB3 MET 10 -13.908 -1.380 -0.399
74 HG2 MET 10 HG2 MET 10 -14.726 -1.715 1.745
75 HG3 MET 10 HG3 MET 10 -13.114 -2.424 1.793
76 HE1 MET 10 HE1 MET 10 -11.165 -1.589 3.258
77 HE2 MET 10 HE2 MET 10 -11.083 0.009 4.000
78 HE3 MET 10 HE3 MET 10 -11.056 -0.150 2.244
79 H LYS 11 H LYS 11 -12.106 -2.227 -2.137
80 HA LYS 11 HA LYS 11 -11.594 -4.805 -1.053
81 HB2 LYS 11 HB2 LYS 11 -13.075 -4.431 -2.990
82 HB3 LYS 11 HB3 LYS 11 -11.697 -3.908 -3.941
83 HG2 LYS 11 HG2 LYS 11 -11.709 -6.624 -2.700
84 HG3 LYS 11 HG3 LYS 11 -12.593 -6.325 -4.196
85 HD2 LYS 11 HD2 LYS 11 -9.661 -5.757 -3.764
86 HD3 LYS 11 HD3 LYS 11 -10.309 -7.171 -4.599
87 HE2 LYS 11 HE2 LYS 11 -11.294 -5.761 -6.295
88 HE3 LYS 11 HE3 LYS 11 -10.795 -4.315 -5.421
89 HZ1 LYS 11 HZ1 LYS 11 -8.835 -6.309 -6.404
90 HZ2 LYS 11 HZ2 LYS 11 -8.553 -4.707 -5.916
91 HZ3 LYS 11 HZ3 LYS 11 -9.374 -5.019 -7.362
92 H ASN 12 H ASN 12 -9.713 -2.596 -3.135
93 HA ASN 12 HA ASN 12 -7.438 -4.175 -3.457
94 HB2 ASN 12 HB2 ASN 12 -7.810 -1.187 -3.379
95 HB3 ASN 12 HB3 ASN 12 -6.223 -1.903 -3.608
96 HD21 ASN 12 HD21 ASN 12 -7.609 -0.219 -5.441
97 HD22 ASN 12 HD22 ASN 12 -7.875 -1.139 -6.885
98 H TYR 13 H TYR 13 -8.392 -2.078 -0.810
99 HA TYR 13 HA TYR 13 -6.025 -2.158 0.680
100 HB2 TYR 13 HB2 TYR 13 -7.941 -0.672 1.164
101 HB3 TYR 13 HB3 TYR 13 -8.883 -2.065 1.681
102 HD1 TYR 13 HD1 TYR 13 -5.466 -0.718 2.421
103 HD2 TYR 13 HD2 TYR 13 -9.149 -2.191 3.952
104 HE1 TYR 13 HE1 TYR 13 -4.628 -0.413 4.715
105 HE2 TYR 13 HE2 TYR 13 -8.326 -1.889 6.245
106 HH TYR 13 HH TYR 13 -6.214 -1.743 7.433
107 H GLU 14 H GLU 14 -8.890 -4.263 0.844
108 HA GLU 14 HA GLU 14 -7.831 -6.120 2.682
109 HB2 GLU 14 HB2 GLU 14 -9.943 -6.462 0.543
110 HB3 GLU 14 HB3 GLU 14 -9.604 -7.644 1.798
111 HG2 GLU 14 HG2 GLU 14 -10.354 -4.824 2.464
112 HG3 GLU 14 HG3 GLU 14 -11.572 -6.054 2.131
113 H GLU 15 H GLU 15 -7.743 -5.933 -0.829
114 HA GLU 15 HA GLU 15 -6.666 -8.463 -1.391
115 HB2 GLU 15 HB2 GLU 15 -7.702 -6.806 -3.017
116 HB3 GLU 15 HB3 GLU 15 -6.180 -5.931 -2.974
117 HG2 GLU 15 HG2 GLU 15 -5.016 -7.819 -3.926
118 HG3 GLU 15 HG3 GLU 15 -6.479 -8.799 -3.843
119 H LEU 16 H LEU 16 -5.149 -5.392 -0.557
120 HA LEU 16 HA LEU 16 -2.491 -6.364 -0.967
121 HB2 LEU 16 HB2 LEU 16 -3.124 -3.972 -1.168
122 HB3 LEU 16 HB3 LEU 16 -3.392 -3.914 0.562
123 HG LEU 16 HG LEU 16 -0.716 -4.764 -0.486
124 HD11 LEU 16 HD11 LEU 16 0.019 -2.445 -0.459
125 HD12 LEU 16 HD12 LEU 16 -1.638 -1.918 -0.161
126 HD13 LEU 16 HD13 LEU 16 -1.222 -2.712 -1.681
127 HD21 LEU 16 HD21 LEU 16 0.061 -3.754 1.587
128 HD22 LEU 16 HD22 LEU 16 -1.178 -4.970 1.901
129 HD23 LEU 16 HD23 LEU 16 -1.587 -3.255 1.970
130 H LYS 17 H LYS 17 -4.548 -5.856 1.889
131 HA LYS 17 HA LYS 17 -2.711 -6.515 3.882
132 HB2 LYS 17 HB2 LYS 17 -5.671 -7.106 3.747
133 HB3 LYS 17 HB3 LYS 17 -4.697 -7.236 5.205
134 HG2 LYS 17 HG2 LYS 17 -4.368 -4.922 5.319
135 HG3 LYS 17 HG3 LYS 17 -4.911 -4.680 3.655
136 HD2 LYS 17 HD2 LYS 17 -6.631 -3.990 5.203
137 HD3 LYS 17 HD3 LYS 17 -7.160 -5.403 4.303
138 HE2 LYS 17 HE2 LYS 17 -6.620 -6.835 6.191
139 HE3 LYS 17 HE3 LYS 17 -6.023 -5.443 7.096
140 HZ1 LYS 17 HZ1 LYS 17 -8.221 -4.507 7.085
141 HZ2 LYS 17 HZ2 LYS 17 -8.291 -6.075 7.717
142 HZ3 LYS 17 HZ3 LYS 17 -8.813 -5.774 6.126
143 H SER 18 H SER 18 -5.096 -8.623 2.350
144 HA SER 18 HA SER 18 -4.206 -11.024 3.435
145 HB2 SER 18 HB2 SER 18 -5.389 -12.090 1.489
146 HB3 SER 18 HB3 SER 18 -6.356 -10.921 2.388
147 HG SER 18 HG SER 18 -6.062 -9.432 0.756
148 H PHE 19 H PHE 19 -2.986 -9.218 0.690
149 HA PHE 19 HA PHE 19 -1.353 -11.305 -0.347
150 HB2 PHE 19 HB2 PHE 19 -2.053 -9.212 -1.592
151 HB3 PHE 19 HB3 PHE 19 -0.866 -8.336 -0.630
152 HD1 PHE 19 HD1 PHE 19 1.547 -8.815 -0.907
153 HD2 PHE 19 HD2 PHE 19 -1.405 -10.597 -3.406
154 HE1 PHE 19 HE1 PHE 19 3.288 -9.413 -2.537
155 HE2 PHE 19 HE2 PHE 19 0.335 -11.199 -5.037
156 HZ PHE 19 HZ PHE 19 2.683 -10.607 -4.604
157 H VAL 20 H VAL 20 -0.646 -8.480 1.731
158 HA VAL 20 HA VAL 20 2.042 -9.108 2.203
159 HB VAL 20 HB VAL 20 0.094 -7.571 3.926
160 HG11 VAL 20 HG11 VAL 20 3.084 -7.826 4.253
161 HG12 VAL 20 HG12 VAL 20 1.866 -8.471 5.353
162 HG13 VAL 20 HG13 VAL 20 2.036 -6.728 5.149
163 HG21 VAL 20 HG21 VAL 20 1.338 -5.644 3.076
164 HG22 VAL 20 HG22 VAL 20 0.625 -6.580 1.763
165 HG23 VAL 20 HG23 VAL 20 2.348 -6.723 2.114
166 H ARG 21 H ARG 21 -0.864 -10.275 3.889
167 HA ARG 21 HA ARG 21 0.674 -11.617 5.904
168 HB2 ARG 21 HB2 ARG 21 -1.341 -12.406 6.766
169 HB3 ARG 21 HB3 ARG 21 -1.817 -10.892 6.004
170 HG2 ARG 21 HG2 ARG 21 -2.728 -12.049 4.121
171 HG3 ARG 21 HG3 ARG 21 -2.070 -13.586 4.685
172 HD2 ARG 21 HD2 ARG 21 -3.500 -13.244 6.765
173 HD3 ARG 21 HD3 ARG 21 -4.311 -11.966 5.857
174 HE ARG 21 HE ARG 21 -4.337 -14.180 4.214
175 HH11 ARG 21 HH11 ARG 21 -5.581 -13.369 7.387
176 HH12 ARG 21 HH12 ARG 21 -6.881 -14.513 7.307
177 HH21 ARG 21 HH21 ARG 21 -6.038 -15.690 4.116
178 HH22 ARG 21 HH22 ARG 21 -7.149 -15.827 5.449
179 H LYS 22 H LYS 22 -0.061 -12.287 2.655
180 HA LYS 22 HA LYS 22 0.038 -15.185 2.994
181 HB2 LYS 22 HB2 LYS 22 -1.649 -13.901 1.535
182 HB3 LYS 22 HB3 LYS 22 -0.321 -13.698 0.404
183 HG2 LYS 22 HG2 LYS 22 -0.138 -16.088 0.129
184 HG3 LYS 22 HG3 LYS 22 -1.379 -16.350 1.359
185 HD2 LYS 22 HD2 LYS 22 -2.933 -14.981 -0.074
186 HD3 LYS 22 HD3 LYS 22 -1.701 -15.043 -1.334
187 HE2 LYS 22 HE2 LYS 22 -3.025 -17.434 -0.064
188 HE3 LYS 22 HE3 LYS 22 -3.453 -16.748 -1.630
189 HZ1 LYS 22 HZ1 LYS 22 -0.876 -18.021 -0.882
190 HZ2 LYS 22 HZ2 LYS 22 -1.146 -17.218 -2.353
191 HZ3 LYS 22 HZ3 LYS 22 -2.036 -18.611 -1.972
192 H TYR 23 H TYR 23 1.768 -12.598 1.251
193 HA TYR 23 HA TYR 23 3.936 -14.543 0.756
194 HB2 TYR 23 HB2 TYR 23 3.236 -12.135 -0.937
195 HB3 TYR 23 HB3 TYR 23 4.474 -13.338 -1.285
196 HD1 TYR 23 HD1 TYR 23 3.726 -15.737 -1.712
197 HD2 TYR 23 HD2 TYR 23 1.032 -12.448 -1.636
198 HE1 TYR 23 HE1 TYR 23 2.052 -17.087 -2.909
199 HE2 TYR 23 HE2 TYR 23 -0.647 -13.783 -2.830
200 HH TYR 23 HH TYR 23 -0.793 -15.717 -4.262
201 H ARG 24 H ARG 24 3.053 -11.566 2.141
202 HA ARG 24 HA ARG 24 4.132 -9.988 3.323
203 HB2 ARG 24 HB2 ARG 24 6.206 -12.153 3.350
204 HB3 ARG 24 HB3 ARG 24 6.553 -10.574 4.051
205 HG2 ARG 24 HG2 ARG 24 4.168 -12.236 4.827
206 HG3 ARG 24 HG3 ARG 24 5.724 -12.308 5.662
207 HD2 ARG 24 HD2 ARG 24 4.290 -9.707 5.236
208 HD3 ARG 24 HD3 ARG 24 3.906 -10.741 6.607
209 HE ARG 24 HE ARG 24 6.721 -10.209 6.331
210 HH11 ARG 24 HH11 ARG 24 3.700 -8.992 7.634
211 HH12 ARG 24 HH12 ARG 24 4.467 -8.012 8.836
212 HH21 ARG 24 HH21 ARG 24 7.734 -8.927 7.918
213 HH22 ARG 24 HH22 ARG 24 6.771 -7.953 8.992
214 H ARG 25 H ARG 25 4.165 -8.345 1.972
215 HA ARG 25 HA ARG 25 5.050 -6.633 0.774
216 HB2 ARG 25 HB2 ARG 25 7.351 -7.904 1.869
217 HB3 ARG 25 HB3 ARG 25 7.709 -7.494 0.203
218 HG2 ARG 25 HG2 ARG 25 6.588 -5.501 2.148
219 HG3 ARG 25 HG3 ARG 25 8.320 -5.780 1.955
220 HD2 ARG 25 HD2 ARG 25 8.084 -5.261 -0.452
221 HD3 ARG 25 HD3 ARG 25 6.387 -4.880 -0.176
222 HE ARG 25 HE ARG 25 7.710 -3.302 1.605
223 HH11 ARG 25 HH11 ARG 25 7.951 -3.757 -1.859
224 HH12 ARG 25 HH12 ARG 25 8.436 -2.124 -2.167
225 HH21 ARG 25 HH21 ARG 25 8.337 -1.158 1.213
226 HH22 ARG 25 HH22 ARG 25 8.648 -0.634 -0.414
227 H PHE 26 H PHE 26 5.840 -6.123 -1.399
228 HA PHE 26 HA PHE 26 6.068 -8.392 -3.196
229 HB2 PHE 26 HB2 PHE 26 4.539 -7.128 -4.849
230 HB3 PHE 26 HB3 PHE 26 3.794 -8.047 -3.551
231 HD1 PHE 26 HD2 PHE 26 2.727 -6.884 -1.664
232 HD2 PHE 26 HD1 PHE 26 4.334 -4.754 -4.979
233 HE1 PHE 26 HE2 PHE 26 1.439 -4.897 -1.007
234 HE2 PHE 26 HE1 PHE 26 3.049 -2.763 -4.324
235 HZ PHE 26 HZ PHE 26 1.600 -2.831 -2.339
236 HA PRO 27 HA PRO 27 9.135 -5.253 -4.381
237 HB2 PRO 27 HB2 PRO 27 11.128 -7.302 -4.344
238 HB3 PRO 27 HB3 PRO 27 10.945 -5.956 -3.220
239 HG2 PRO 27 HG2 PRO 27 10.591 -8.620 -2.566
240 HG3 PRO 27 HG3 PRO 27 9.928 -7.255 -1.654
241 HD2 PRO 27 HD2 PRO 27 8.591 -9.025 -3.660
242 HD3 PRO 27 HD3 PRO 27 7.944 -8.338 -2.154
243 H LYS 28 H LYS 28 8.275 -5.129 -6.449
244 HA LYS 28 HA LYS 28 8.303 -5.347 -8.715
245 HB2 LYS 28 HB2 LYS 28 10.497 -7.376 -8.240
246 HB3 LYS 28 HB3 LYS 28 10.063 -6.689 -9.798
247 HG2 LYS 28 HG2 LYS 28 10.856 -4.553 -9.185
248 HG3 LYS 28 HG3 LYS 28 10.980 -5.006 -7.485
249 HD2 LYS 28 HD2 LYS 28 12.586 -6.367 -9.634
250 HD3 LYS 28 HD3 LYS 28 13.143 -4.902 -8.827
251 HE2 LYS 28 HE2 LYS 28 14.137 -6.757 -7.705
252 HE3 LYS 28 HE3 LYS 28 12.893 -6.105 -6.645
253 HZ1 LYS 28 HZ1 LYS 28 12.890 -8.537 -6.720
254 HZ2 LYS 28 HZ2 LYS 28 12.568 -8.495 -8.386
255 HZ3 LYS 28 HZ3 LYS 28 11.427 -7.895 -7.285
256 H SER 29 H SER 29 6.850 -7.229 -6.779
257 HA SER 29 HA SER 29 6.579 -9.719 -8.096
258 HB2 SER 29 HB2 SER 29 4.633 -8.384 -6.206
259 HB3 SER 29 HB3 SER 29 4.710 -10.104 -6.596
260 HG SER 29 HG SER 29 5.906 -10.049 -4.817
261 H THR 30 H THR 30 4.760 -6.705 -8.236
262 HA THR 30 HA THR 30 3.228 -5.879 -9.660
263 HB THR 30 HB THR 30 4.061 -7.719 -11.840
264 HG1 THR 30 HG1 THR 30 6.039 -7.417 -10.763
265 HG21 THR 30 HG21 THR 30 4.211 -5.563 -13.033
266 HG22 THR 30 HG22 THR 30 3.817 -4.734 -11.525
267 HG23 THR 30 HG23 THR 30 2.632 -5.798 -12.280
268 H GLU 31 H GLU 31 2.381 -8.163 -8.072
269 HA GLU 31 HA GLU 31 0.612 -9.661 -9.837
270 HB2 GLU 31 HB2 GLU 31 1.501 -9.949 -6.999
271 HB3 GLU 31 HB3 GLU 31 0.020 -10.737 -7.525
272 HG2 GLU 31 HG2 GLU 31 2.706 -11.114 -8.824
273 HG3 GLU 31 HG3 GLU 31 2.012 -12.195 -7.615
274 H GLY 32 H GLY 32 -1.586 -9.624 -9.745
275 HA2 GLY 32 HA2 GLY 32 -3.706 -8.872 -9.299
276 HA3 GLY 32 HA3 GLY 32 -3.125 -8.459 -7.692
277 H ASN 33 H ASN 33 -4.580 -6.628 -7.863
278 HA ASN 33 HA ASN 33 -4.047 -4.535 -9.739
279 HB2 ASN 33 HB2 ASN 33 -5.489 -4.485 -7.075
280 HB3 ASN 33 HB3 ASN 33 -5.440 -3.137 -8.207
281 HD21 ASN 33 HD21 ASN 33 -6.693 -6.302 -7.558
282 HD22 ASN 33 HD22 ASN 33 -7.891 -6.299 -8.821
283 H LEU 34 H LEU 34 -2.610 -5.627 -6.875
284 HA LEU 34 HA LEU 34 -1.502 -3.261 -5.845
285 HB2 LEU 34 HB2 LEU 34 -0.419 -6.067 -5.673
286 HB3 LEU 34 HB3 LEU 34 0.008 -4.727 -4.630
287 HG LEU 34 HG LEU 34 -2.666 -6.104 -4.799
288 HD11 LEU 34 HD11 LEU 34 -2.214 -6.683 -2.467
289 HD12 LEU 34 HD12 LEU 34 -0.633 -5.912 -2.586
290 HD13 LEU 34 HD13 LEU 34 -0.993 -7.341 -3.555
291 HD21 LEU 34 HD21 LEU 34 -1.858 -3.718 -3.143
292 HD22 LEU 34 HD22 LEU 34 -3.388 -4.589 -3.025
293 HD23 LEU 34 HD23 LEU 34 -2.986 -3.707 -4.500
294 H GLY 35 H GLY 35 -0.378 -5.537 -8.289
295 HA2 GLY 35 HA2 GLY 35 2.169 -4.610 -8.796
296 HA3 GLY 35 HA3 GLY 35 1.068 -5.174 -10.045
297 H GLY 36 H GLY 36 -0.890 -3.228 -9.918
298 HA2 GLY 36 HA2 GLY 36 0.443 -1.033 -11.254
299 HA3 GLY 36 HA3 GLY 36 -1.293 -1.241 -11.056
300 H TRP 37 H TRP 37 -1.113 -1.632 -8.191
301 HA TRP 37 HA TRP 37 -1.501 0.963 -7.266
302 HB2 TRP 37 HB2 TRP 37 -2.032 -1.410 -6.230
303 HB3 TRP 37 HB3 TRP 37 -0.512 -1.132 -5.383
304 HD1 TRP 37 HD1 TRP 37 -3.950 0.541 -5.872
305 HE1 TRP 37 HE1 TRP 37 -4.500 1.906 -3.775
306 HE3 TRP 37 HE3 TRP 37 0.428 -0.121 -3.304
307 HZ2 TRP 37 HZ2 TRP 37 -3.239 2.599 -1.329
308 HZ3 TRP 37 HZ3 TRP 37 0.670 0.918 -1.100
309 HH2 TRP 37 HH2 TRP 37 -1.129 2.255 -0.132
310 H CYS 38 H CYS 38 1.348 -1.141 -6.863
311 HA CYS 38 HA CYS 38 2.886 0.756 -5.455
312 HB2 CYS 38 HB2 CYS 38 4.794 -0.707 -5.894
313 HB3 CYS 38 HB3 CYS 38 3.389 -1.644 -5.403
314 HG CYS 38 HG CYS 38 2.796 -2.182 -8.231
315 H HIS 39 H HIS 39 2.371 0.220 -8.863
316 HA HIS 39 HA HIS 39 4.589 1.653 -9.851
317 HB2 HIS 39 HB2 HIS 39 1.880 1.075 -11.044
318 HB3 HIS 39 HB3 HIS 39 3.129 1.954 -11.915
319 HD1 HIS 39 HD1 HIS 39 2.014 -0.771 -12.899
320 HD2 HIS 39 HD2 HIS 39 5.477 -0.287 -10.645
321 HE1 HIS 39 HE1 HIS 39 3.418 -2.807 -13.361
322 HE2 HIS 39 HE2 HIS 39 5.590 -2.398 -12.140
323 H THR 40 H THR 40 1.254 2.686 -9.182
324 HA THR 40 HA THR 40 1.812 5.414 -9.863
325 HB THR 40 HB THR 40 -0.560 4.321 -8.338
326 HG1 THR 40 HG1 THR 40 -1.336 3.654 -10.212
327 HG21 THR 40 HG21 THR 40 -1.726 6.277 -9.271
328 HG22 THR 40 HG22 THR 40 -0.216 6.818 -10.006
329 HG23 THR 40 HG23 THR 40 -0.369 6.755 -8.249
330 H GLN 41 H GLN 41 2.142 3.480 -7.032
331 HA GLN 41 HA GLN 41 2.043 5.664 -5.172
332 HB2 GLN 41 HB2 GLN 41 2.073 2.845 -4.998
333 HB3 GLN 41 HB3 GLN 41 3.480 3.424 -4.115
334 HG2 GLN 41 HG2 GLN 41 1.583 3.218 -2.635
335 HG3 GLN 41 HG3 GLN 41 2.055 4.906 -2.802
336 HE21 GLN 41 HE21 GLN 41 0.263 3.134 -5.232
337 HE22 GLN 41 HE22 GLN 41 -1.223 4.008 -5.043
338 H ARG 42 H ARG 42 4.506 4.111 -7.093
339 HA ARG 42 HA ARG 42 6.842 5.073 -5.926
340 HB2 ARG 42 HB2 ARG 42 6.088 4.753 -8.834
341 HB3 ARG 42 HB3 ARG 42 7.701 5.223 -8.322
342 HG2 ARG 42 HG2 ARG 42 6.360 2.689 -7.424
343 HG3 ARG 42 HG3 ARG 42 7.389 2.795 -8.854
344 HD2 ARG 42 HD2 ARG 42 9.220 3.643 -7.404
345 HD3 ARG 42 HD3 ARG 42 8.181 3.380 -6.003
346 HE ARG 42 HE ARG 42 8.189 0.978 -6.671
347 HH11 ARG 42 HH11 ARG 42 10.786 3.092 -7.658
348 HH12 ARG 42 HH12 ARG 42 11.952 1.815 -7.819
349 HH21 ARG 42 HH21 ARG 42 9.723 -0.725 -6.881
350 HH22 ARG 42 HH22 ARG 42 11.341 -0.361 -7.388
351 H LYS 43 H LYS 43 4.697 6.609 -8.243
352 HA LYS 43 HA LYS 43 5.803 9.097 -8.549
353 HB2 LYS 43 HB2 LYS 43 3.890 8.312 -9.801
354 HB3 LYS 43 HB3 LYS 43 2.916 8.240 -8.345
355 HG2 LYS 43 HG2 LYS 43 3.358 10.787 -8.221
356 HG3 LYS 43 HG3 LYS 43 3.772 10.612 -9.932
357 HD2 LYS 43 HD2 LYS 43 1.595 9.529 -10.322
358 HD3 LYS 43 HD3 LYS 43 1.184 9.776 -8.625
359 HE2 LYS 43 HE2 LYS 43 0.146 11.555 -9.646
360 HE3 LYS 43 HE3 LYS 43 1.671 12.266 -9.129
361 HZ1 LYS 43 HZ1 LYS 43 1.038 11.286 -11.861
362 HZ2 LYS 43 HZ2 LYS 43 2.539 11.910 -11.372
363 HZ3 LYS 43 HZ3 LYS 43 1.168 12.906 -11.386
364 H MET 44 H MET 44 3.200 8.332 -6.236
365 HA MET 44 HA MET 44 3.177 10.750 -4.869
366 HB2 MET 44 HB2 MET 44 2.676 8.139 -3.447
367 HB3 MET 44 HB3 MET 44 1.897 9.692 -3.191
368 HG2 MET 44 HG2 MET 44 1.525 7.828 -5.511
369 HG3 MET 44 HG3 MET 44 0.367 8.202 -4.237
370 HE1 MET 44 HE1 MET 44 -0.002 8.265 -7.396
371 HE2 MET 44 HE2 MET 44 -1.004 9.701 -7.635
372 HE3 MET 44 HE3 MET 44 -1.356 8.587 -6.313
373 H ARG 45 H ARG 45 5.076 7.827 -4.139
374 HA ARG 45 HA ARG 45 5.843 8.745 -1.588
375 HB2 ARG 45 HB2 ARG 45 7.308 6.856 -1.456
376 HB3 ARG 45 HB3 ARG 45 5.812 6.372 -2.209
377 HG2 ARG 45 HG2 ARG 45 7.403 5.235 -3.422
378 HG3 ARG 45 HG3 ARG 45 7.079 6.643 -4.428
379 HD2 ARG 45 HD2 ARG 45 9.541 5.860 -3.911
380 HD3 ARG 45 HD3 ARG 45 9.129 7.570 -4.035
381 HE ARG 45 HE ARG 45 8.938 6.491 -1.367
382 HH11 ARG 45 HH11 ARG 45 11.071 7.913 -3.732
383 HH12 ARG 45 HH12 ARG 45 12.093 8.675 -2.555
384 HH21 ARG 45 HH21 ARG 45 10.254 7.499 0.205
385 HH22 ARG 45 HH22 ARG 45 11.653 8.395 -0.304
386 H LYS 46 H LYS 46 7.478 9.033 -4.714
387 HA LYS 46 HA LYS 46 9.817 10.182 -3.492
388 HB2 LYS 46 HB2 LYS 46 10.592 10.525 -5.769
389 HB3 LYS 46 HB3 LYS 46 9.999 8.889 -5.566
390 HG2 LYS 46 HG2 LYS 46 7.954 9.444 -6.709
391 HG3 LYS 46 HG3 LYS 46 8.438 11.138 -6.815
392 HD2 LYS 46 HD2 LYS 46 10.351 10.501 -8.201
393 HD3 LYS 46 HD3 LYS 46 9.860 8.810 -8.095
394 HE2 LYS 46 HE2 LYS 46 7.808 9.277 -9.256
395 HE3 LYS 46 HE3 LYS 46 8.149 11.007 -9.242
396 HZ1 LYS 46 HZ1 LYS 46 8.653 9.976 -11.382
397 HZ2 LYS 46 HZ2 LYS 46 9.784 8.957 -10.632
398 HZ3 LYS 46 HZ3 LYS 46 10.041 10.632 -10.661
399 H GLN 47 H GLN 47 6.789 11.271 -4.579
400 HA GLN 47 HA GLN 47 7.614 14.044 -4.821
401 HB2 GLN 47 HB2 GLN 47 5.031 12.563 -5.212
402 HB3 GLN 47 HB3 GLN 47 5.060 14.317 -5.159
403 HG2 GLN 47 HG2 GLN 47 6.742 14.265 -7.006
404 HG3 GLN 47 HG3 GLN 47 6.489 12.525 -7.107
405 HE21 GLN 47 HE21 GLN 47 5.743 12.660 -9.209
406 HE22 GLN 47 HE22 GLN 47 4.192 13.318 -9.607
407 H GLY 48 H GLY 48 6.588 11.914 -2.415
408 HA2 GLY 48 HA2 GLY 48 6.286 12.241 -0.160
409 HA3 GLY 48 HA3 GLY 48 6.634 13.947 -0.407
410 H LYS 49 H LYS 49 4.110 12.328 -2.196
411 HA LYS 49 HA LYS 49 2.169 14.069 -0.848
412 HB2 LYS 49 HB2 LYS 49 1.830 12.524 -3.418
413 HB3 LYS 49 HB3 LYS 49 0.731 13.732 -2.768
414 HG2 LYS 49 HG2 LYS 49 2.657 15.369 -2.964
415 HG3 LYS 49 HG3 LYS 49 3.465 14.133 -3.931
416 HD2 LYS 49 HD2 LYS 49 0.846 15.504 -4.515
417 HD3 LYS 49 HD3 LYS 49 2.350 15.630 -5.427
418 HE2 LYS 49 HE2 LYS 49 2.169 13.213 -5.959
419 HE3 LYS 49 HE3 LYS 49 0.605 13.188 -5.144
420 HZ1 LYS 49 HZ1 LYS 49 -0.183 14.868 -6.721
421 HZ2 LYS 49 HZ2 LYS 49 0.292 13.444 -7.504
422 HZ3 LYS 49 HZ3 LYS 49 1.302 14.810 -7.534
423 H LEU 50 H LEU 50 3.178 10.865 -0.995
424 HA LEU 50 HA LEU 50 0.797 9.435 -0.603
425 HB2 LEU 50 HB2 LEU 50 3.612 8.960 -0.462
426 HB3 LEU 50 HB3 LEU 50 2.890 8.323 1.000
427 HG LEU 50 HG LEU 50 1.896 7.579 -1.751
428 HD11 LEU 50 HD11 LEU 50 4.241 6.957 -1.596
429 HD12 LEU 50 HD12 LEU 50 3.215 5.525 -1.510
430 HD13 LEU 50 HD13 LEU 50 3.947 6.174 -0.043
431 HD21 LEU 50 HD21 LEU 50 0.961 5.653 -0.574
432 HD22 LEU 50 HD22 LEU 50 0.362 7.162 0.114
433 HD23 LEU 50 HD23 LEU 50 1.623 6.253 0.947
434 HA PRO 51 HA PRO 51 -0.347 10.886 3.447
435 HB2 PRO 51 HB2 PRO 51 -2.147 8.942 4.081
436 HB3 PRO 51 HB3 PRO 51 -2.498 10.272 2.973
437 HG2 PRO 51 HG2 PRO 51 -1.778 7.443 2.376
438 HG3 PRO 51 HG3 PRO 51 -2.935 8.503 1.554
439 HD2 PRO 51 HD2 PRO 51 -0.439 7.962 0.600
440 HD3 PRO 51 HD3 PRO 51 -1.316 9.464 0.256
441 H ASN 52 H ASN 52 0.706 10.717 5.248
442 HA ASN 52 HA ASN 52 2.422 8.648 6.007
443 HB2 ASN 52 HB2 ASN 52 2.316 11.107 6.761
444 HB3 ASN 52 HB3 ASN 52 1.083 10.583 7.898
445 HD21 ASN 52 HD21 ASN 52 3.743 11.731 8.296
446 HD22 ASN 52 HD22 ASN 52 4.586 10.609 9.312
447 H ASP 53 H ASP 53 -0.929 9.340 6.782
448 HA ASP 53 HA ASP 53 -1.382 7.549 8.854
449 HB2 ASP 53 HB2 ASP 53 -3.289 8.311 6.637
450 HB3 ASP 53 HB3 ASP 53 -3.744 7.593 8.176
451 H ARG 54 H ARG 54 -1.651 7.008 5.351
452 HA ARG 54 HA ARG 54 -2.606 4.346 5.670
453 HB2 ARG 54 HB2 ARG 54 -2.931 4.327 3.424
454 HB3 ARG 54 HB3 ARG 54 -2.768 6.061 3.624
455 HG2 ARG 54 HG2 ARG 54 -1.399 5.733 1.836
456 HG3 ARG 54 HG3 ARG 54 -0.228 5.534 3.143
457 HD2 ARG 54 HD2 ARG 54 -0.071 3.765 1.389
458 HD3 ARG 54 HD3 ARG 54 -0.399 3.137 3.004
459 HE ARG 54 HE ARG 54 -2.387 3.391 0.835
460 HH11 ARG 54 HH11 ARG 54 -1.392 2.017 3.907
461 HH12 ARG 54 HH12 ARG 54 -2.548 0.727 3.851
462 HH21 ARG 54 HH21 ARG 54 -3.900 1.668 0.764
463 HH22 ARG 54 HH22 ARG 54 -3.968 0.525 2.064
464 H ARG 55 H ARG 55 0.549 5.805 5.459
465 HA ARG 55 HA ARG 55 2.070 3.546 4.816
466 HB2 ARG 55 HB2 ARG 55 3.075 5.716 4.769
467 HB3 ARG 55 HB3 ARG 55 2.636 6.025 6.442
468 HG2 ARG 55 HG2 ARG 55 4.176 4.228 7.132
469 HG3 ARG 55 HG3 ARG 55 4.671 4.055 5.446
470 HD2 ARG 55 HD2 ARG 55 4.849 6.625 6.997
471 HD3 ARG 55 HD3 ARG 55 6.155 5.467 6.850
472 HE ARG 55 HE ARG 55 5.004 7.010 4.629
473 HH11 ARG 55 HH11 ARG 55 7.678 5.198 6.024
474 HH12 ARG 55 HH12 ARG 55 8.760 5.562 4.705
475 HH21 ARG 55 HH21 ARG 55 6.435 7.501 2.933
476 HH22 ARG 55 HH22 ARG 55 8.061 6.865 2.956
477 H LEU 56 H LEU 56 0.801 4.804 7.856
478 HA LEU 56 HA LEU 56 2.029 2.860 9.517
479 HB2 LEU 56 HB2 LEU 56 -0.135 4.885 9.837
480 HB3 LEU 56 HB3 LEU 56 -0.006 3.619 11.038
481 HG LEU 56 HG LEU 56 2.247 4.317 11.604
482 HD11 LEU 56 HD11 LEU 56 1.916 6.439 9.487
483 HD12 LEU 56 HD12 LEU 56 2.981 5.037 9.384
484 HD13 LEU 56 HD13 LEU 56 3.274 6.282 10.599
485 HD21 LEU 56 HD21 LEU 56 0.393 5.418 12.735
486 HD22 LEU 56 HD22 LEU 56 0.344 6.653 11.476
487 HD23 LEU 56 HD23 LEU 56 1.752 6.523 12.530
488 H LEU 57 H LEU 57 -1.000 3.019 7.759
489 HA LEU 57 HA LEU 57 -2.252 0.756 8.883
490 HB2 LEU 57 HB2 LEU 57 -2.473 1.749 6.037
491 HB3 LEU 57 HB3 LEU 57 -3.608 0.699 6.861
492 HG LEU 57 HG LEU 57 -3.067 3.599 7.514
493 HD11 LEU 57 HD11 LEU 57 -5.489 2.242 6.339
494 HD12 LEU 57 HD12 LEU 57 -4.348 3.261 5.463
495 HD13 LEU 57 HD13 LEU 57 -5.348 3.955 6.739
496 HD21 LEU 57 HD21 LEU 57 -3.560 2.349 9.542
497 HD22 LEU 57 HD22 LEU 57 -4.990 1.648 8.781
498 HD23 LEU 57 HD23 LEU 57 -4.922 3.380 9.102
499 H LEU 58 H LEU 58 0.036 1.155 6.227
500 HA LEU 58 HA LEU 58 0.094 -1.604 5.505
501 HB2 LEU 58 HB2 LEU 58 2.048 0.644 4.984
502 HB3 LEU 58 HB3 LEU 58 2.208 -0.965 4.307
503 HG LEU 58 HG LEU 58 -0.071 0.947 3.784
504 HD11 LEU 58 HD11 LEU 58 0.822 1.052 1.526
505 HD12 LEU 58 HD12 LEU 58 2.156 -0.006 1.995
506 HD13 LEU 58 HD13 LEU 58 2.016 1.604 2.702
507 HD21 LEU 58 HD21 LEU 58 0.482 -1.797 2.667
508 HD22 LEU 58 HD22 LEU 58 -0.795 -0.704 2.131
509 HD23 LEU 58 HD23 LEU 58 -0.826 -1.363 3.766
510 H ASP 59 H ASP 59 1.850 0.412 7.757
511 HA ASP 59 HA ASP 59 3.889 -1.409 8.441
512 HB2 ASP 59 HB2 ASP 59 3.939 0.983 9.035
513 HB3 ASP 59 HB3 ASP 59 2.601 0.733 10.150
514 H LYS 60 H LYS 60 0.567 -1.068 9.488
515 HA LYS 60 HA LYS 60 0.645 -2.662 11.790
516 HB2 LYS 60 HB2 LYS 60 -1.358 -1.426 10.136
517 HB3 LYS 60 HB3 LYS 60 -1.865 -3.050 10.575
518 HG2 LYS 60 HG2 LYS 60 -2.696 -1.439 12.171
519 HG3 LYS 60 HG3 LYS 60 -1.524 -2.512 12.938
520 HD2 LYS 60 HD2 LYS 60 0.207 -0.786 12.659
521 HD3 LYS 60 HD3 LYS 60 -0.998 0.285 11.939
522 HE2 LYS 60 HE2 LYS 60 -2.290 0.226 14.009
523 HE3 LYS 60 HE3 LYS 60 -1.089 -0.845 14.734
524 HZ1 LYS 60 HZ1 LYS 60 -0.703 1.402 15.437
525 HZ2 LYS 60 HZ2 LYS 60 -0.658 1.952 13.833
526 HZ3 LYS 60 HZ3 LYS 60 0.565 0.930 14.413
527 H ILE 61 H ILE 61 0.143 -3.527 8.396
528 HA ILE 61 HA ILE 61 -0.215 -6.317 9.105
529 HB ILE 61 HB ILE 61 -0.353 -6.648 6.598
530 HG12 ILE 61 HG12 ILE 61 -0.428 -3.620 6.651
531 HG13 ILE 61 HG13 ILE 61 0.828 -4.606 5.908
532 HG21 ILE 61 HG21 ILE 61 -2.314 -6.554 8.025
533 HG22 ILE 61 HG22 ILE 61 -2.636 -5.739 6.494
534 HG23 ILE 61 HG23 ILE 61 -2.310 -4.791 7.944
535 HD11 ILE 61 HD11 ILE 61 -2.058 -4.473 5.069
536 HD12 ILE 61 HD12 ILE 61 -0.819 -5.485 4.325
537 HD13 ILE 61 HD13 ILE 61 -0.691 -3.727 4.243
538 H GLY 62 H GLY 62 2.368 -4.252 8.391
539 HA2 GLY 62 HA2 GLY 62 4.577 -5.029 8.890
540 HA3 GLY 62 HA3 GLY 62 4.121 -6.611 8.287
541 H PHE 63 H PHE 63 3.259 -3.799 6.458
542 HA PHE 63 HA PHE 63 4.943 -4.588 4.271
543 HB2 PHE 63 HB2 PHE 63 2.674 -3.539 4.008
544 HB3 PHE 63 HB3 PHE 63 3.354 -2.033 4.609
545 HD1 PHE 63 HD1 PHE 63 3.354 -4.431 1.833
546 HD2 PHE 63 HD2 PHE 63 4.689 -0.633 3.211
547 HE1 PHE 63 HE1 PHE 63 3.991 -3.826 -0.464
548 HE2 PHE 63 HE2 PHE 63 5.332 -0.022 0.918
549 HZ PHE 63 HZ PHE 63 4.981 -1.620 -0.924
550 H VAL 64 H VAL 64 7.049 -4.340 4.498
551 HA VAL 64 HA VAL 64 8.157 -2.268 6.134
552 HB VAL 64 HB VAL 64 9.023 -4.639 5.936
553 HG11 VAL 64 HG11 VAL 64 10.203 -3.571 3.378
554 HG12 VAL 64 HG12 VAL 64 9.022 -4.872 3.535
555 HG13 VAL 64 HG13 VAL 64 10.657 -5.088 4.158
556 HG21 VAL 64 HG21 VAL 64 10.995 -2.393 5.560
557 HG22 VAL 64 HG22 VAL 64 11.352 -3.978 6.249
558 HG23 VAL 64 HG23 VAL 64 10.250 -2.879 7.082
559 H TRP 65 H TRP 65 9.712 -0.688 5.432
560 HA TRP 65 HA TRP 65 9.215 0.197 2.658
561 HB2 TRP 65 HB2 TRP 65 9.717 1.874 5.123
562 HB3 TRP 65 HB3 TRP 65 9.473 2.499 3.497
563 HD1 TRP 65 HD1 TRP 65 7.581 1.025 6.454
564 HE1 TRP 65 HE1 TRP 65 5.058 1.372 6.089
565 HE3 TRP 65 HE3 TRP 65 7.689 2.743 1.642
566 HZ2 TRP 65 HZ2 TRP 65 3.345 2.268 4.043
567 HZ3 TRP 65 HZ3 TRP 65 5.559 3.324 0.557
568 HH2 TRP 65 HH2 TRP 65 3.433 3.092 1.731
569 H SER 66 H SER 66 11.436 -1.499 3.638
570 HA SER 66 HA SER 66 13.801 -0.026 3.961
571 HB2 SER 66 HB2 SER 66 13.510 -2.788 2.761
572 HB3 SER 66 HB3 SER 66 14.961 -2.106 3.501
573 HG SER 66 HG SER 66 13.522 -1.842 5.431
574 H LEU 67 H LEU 67 11.943 -0.622 1.135
575 HA LEU 67 HA LEU 67 14.178 -0.198 -0.683
576 HB2 LEU 67 HB2 LEU 67 11.259 -0.750 -1.212
577 HB3 LEU 67 HB3 LEU 67 12.471 -0.564 -2.462
578 HG LEU 67 HG LEU 67 13.662 -2.554 -1.328
579 HD11 LEU 67 HD11 LEU 67 12.351 -2.567 0.731
580 HD12 LEU 67 HD12 LEU 67 12.205 -4.095 -0.136
581 HD13 LEU 67 HD13 LEU 67 10.891 -2.918 -0.197
582 HD21 LEU 67 HD21 LEU 67 12.261 -4.150 -2.571
583 HD22 LEU 67 HD22 LEU 67 12.627 -2.699 -3.503
584 HD23 LEU 67 HD23 LEU 67 11.037 -2.896 -2.766
585 H GLU 68 H GLU 68 12.544 1.821 1.136
586 HA GLU 68 HA GLU 68 11.529 3.724 -0.740
587 HB2 GLU 68 HB2 GLU 68 10.499 3.721 1.386
588 HB3 GLU 68 HB3 GLU 68 12.043 3.785 2.225
589 HG2 GLU 68 HG2 GLU 68 12.348 6.040 1.734
590 HG3 GLU 68 HG3 GLU 68 11.131 6.022 0.462
591 H HIS 69 H HIS 69 12.571 5.267 -1.792
592 HA HIS 69 HA HIS 69 15.401 5.587 -1.601
593 HB2 HIS 69 HB2 HIS 69 13.703 5.948 -3.608
594 HB3 HIS 69 HB3 HIS 69 13.662 7.592 -2.984
595 HD1 HIS 69 HD1 HIS 69 15.392 9.108 -3.932
596 HD2 HIS 69 HD2 HIS 69 16.488 5.105 -4.217
597 HE1 HIS 69 HE1 HIS 69 17.550 9.087 -5.226
598 HE2 HIS 69 HE2 HIS 69 18.070 6.642 -5.573
599 H HIS 70 H HIS 70 16.563 7.419 -0.836
600 HA HIS 70 HA HIS 70 15.531 8.256 1.669
601 HB2 HIS 70 HB2 HIS 70 18.046 9.019 0.199
602 HB3 HIS 70 HB3 HIS 70 17.670 9.575 1.829
603 HD1 HIS 70 HD1 HIS 70 19.681 7.177 0.319
604 HD2 HIS 70 HD2 HIS 70 16.919 7.010 3.420
605 HE1 HIS 70 HE1 HIS 70 20.258 5.115 1.632
606 HE2 HIS 70 HE2 HIS 70 18.719 5.171 3.629
607 H HIS 71 H HIS 71 15.267 9.705 -1.405
608 HA HIS 71 HA HIS 71 14.173 11.574 -2.099
609 HB2 HIS 71 HB2 HIS 71 12.513 10.815 -0.385
610 HB3 HIS 71 HB3 HIS 71 13.307 11.850 0.793
611 HD1 HIS 71 HD1 HIS 71 11.869 13.811 1.191
612 HD2 HIS 71 HD2 HIS 71 11.895 12.720 -2.827
613 HE1 HIS 71 HE1 HIS 71 10.410 15.490 0.017
614 HE2 HIS 71 HE2 HIS 71 10.388 14.784 -2.400
615 H HIS 72 H HIS 72 16.933 11.645 -0.918
616 HA HIS 72 HA HIS 72 17.061 14.497 -0.219
617 HB2 HIS 72 HB2 HIS 72 18.953 12.206 0.276
618 HB3 HIS 72 HB3 HIS 72 19.499 13.879 0.369
619 HD1 HIS 72 HD1 HIS 72 18.754 11.432 2.648
620 HD2 HIS 72 HD2 HIS 72 17.217 15.260 2.096
621 HE1 HIS 72 HE1 HIS 72 17.756 12.090 4.860
622 HE2 HIS 72 HE2 HIS 72 17.014 14.477 4.549
623 H HIS 73 H HIS 73 18.900 15.724 -1.141
624 HA HIS 73 HA HIS 73 18.902 15.220 -4.012
625 HB2 HIS 73 HB2 HIS 73 19.834 17.606 -2.399
626 HB3 HIS 73 HB3 HIS 73 19.867 17.516 -4.156
627 HD1 HIS 73 HD1 HIS 73 17.734 18.024 -5.391
628 HD2 HIS 73 HD2 HIS 73 17.215 17.766 -1.271
629 HE1 HIS 73 HE1 HIS 73 15.398 18.849 -4.946
630 HE2 HIS 73 HE2 HIS 73 15.145 18.790 -2.438
631 H HIS 74 H HIS 74 20.540 14.339 -5.031
632 HA HIS 74 HA HIS 74 23.037 13.791 -3.718
633 HB2 HIS 74 HB2 HIS 74 22.165 12.143 -5.262
634 HB3 HIS 74 HB3 HIS 74 22.081 13.337 -6.552
635 HD1 HIS 74 HD1 HIS 74 24.093 13.601 -8.002
636 HD2 HIS 74 HD2 HIS 74 24.895 11.414 -4.556
637 HE1 HIS 74 HE1 HIS 74 26.425 12.700 -8.299
638 HE2 HIS 74 HE2 HIS 74 26.819 11.240 -6.280
Start of MODEL 6
1 H1 MET 1 H1 MET 1 -18.563 15.201 -10.889
2 H2 MET 1 H2 MET 1 -19.954 16.013 -11.399
3 H3 MET 1 H3 MET 1 -19.723 14.389 -11.816
4 HA MET 1 HA MET 1 -20.062 15.404 -9.055
5 HB2 MET 1 HB2 MET 1 -21.998 13.912 -10.842
6 HB3 MET 1 HB3 MET 1 -22.261 14.268 -9.143
7 HG2 MET 1 HG2 MET 1 -23.508 15.862 -10.302
8 HG3 MET 1 HG3 MET 1 -22.059 16.716 -9.776
9 HE1 MET 1 HE1 MET 1 -23.911 15.012 -12.778
10 HE2 MET 1 HE2 MET 1 -22.372 14.147 -12.768
11 HE3 MET 1 HE3 MET 1 -22.762 15.237 -14.097
12 H ASN 2 H ASN 2 -19.316 14.025 -7.570
13 HA ASN 2 HA ASN 2 -18.954 11.217 -8.348
14 HB2 ASN 2 HB2 ASN 2 -17.630 11.018 -6.203
15 HB3 ASN 2 HB3 ASN 2 -16.923 12.068 -7.423
16 HD21 ASN 2 HD21 ASN 2 -16.837 14.279 -7.062
17 HD22 ASN 2 HD22 ASN 2 -17.088 14.968 -5.494
18 H GLN 3 H GLN 3 -21.023 10.552 -8.262
19 HA GLN 3 HA GLN 3 -22.619 11.095 -5.870
20 HB2 GLN 3 HB2 GLN 3 -23.604 11.548 -8.072
21 HB3 GLN 3 HB3 GLN 3 -23.351 9.875 -8.540
22 HG2 GLN 3 HG2 GLN 3 -24.877 9.203 -6.691
23 HG3 GLN 3 HG3 GLN 3 -25.222 10.914 -6.432
24 HE21 GLN 3 HE21 GLN 3 -25.618 8.200 -8.551
25 HE22 GLN 3 HE22 GLN 3 -26.835 8.898 -9.567
26 H ASN 4 H ASN 4 -21.694 8.347 -7.923
27 HA ASN 4 HA ASN 4 -22.580 6.497 -5.845
28 HB2 ASN 4 HB2 ASN 4 -21.615 6.024 -8.672
29 HB3 ASN 4 HB3 ASN 4 -22.053 4.737 -7.552
30 HD21 ASN 4 HD21 ASN 4 -24.226 4.541 -6.890
31 HD22 ASN 4 HD22 ASN 4 -25.514 5.235 -7.818
32 H LEU 5 H LEU 5 -21.232 5.902 -4.345
33 HA LEU 5 HA LEU 5 -18.354 6.124 -4.844
34 HB2 LEU 5 HB2 LEU 5 -19.846 5.698 -2.255
35 HB3 LEU 5 HB3 LEU 5 -18.118 5.956 -2.411
36 HG LEU 5 HG LEU 5 -20.276 7.958 -3.090
37 HD11 LEU 5 HD11 LEU 5 -19.361 9.216 -1.200
38 HD12 LEU 5 HD12 LEU 5 -18.264 7.879 -0.847
39 HD13 LEU 5 HD13 LEU 5 -20.009 7.655 -0.700
40 HD21 LEU 5 HD21 LEU 5 -18.347 8.164 -4.577
41 HD22 LEU 5 HD22 LEU 5 -17.274 8.242 -3.179
42 HD23 LEU 5 HD23 LEU 5 -18.450 9.527 -3.462
43 H GLN 6 H GLN 6 -16.938 4.429 -4.506
44 HA GLN 6 HA GLN 6 -18.073 1.806 -3.905
45 HB2 GLN 6 HB2 GLN 6 -18.051 2.108 -6.397
46 HB3 GLN 6 HB3 GLN 6 -16.306 2.302 -6.313
47 HG2 GLN 6 HG2 GLN 6 -17.271 -0.124 -5.010
48 HG3 GLN 6 HG3 GLN 6 -17.645 -0.047 -6.730
49 HE21 GLN 6 HE21 GLN 6 -15.309 1.521 -7.393
50 HE22 GLN 6 HE22 GLN 6 -13.954 0.442 -7.297
51 H GLY 7 H GLY 7 -16.829 0.750 -2.502
52 HA2 GLY 7 HA2 GLY 7 -14.449 2.074 -1.546
53 HA3 GLY 7 HA3 GLY 7 -15.203 0.642 -0.858
54 H GLU 8 H GLU 8 -13.492 1.599 -3.833
55 HA GLU 8 HA GLU 8 -12.470 -1.059 -4.191
56 HB2 GLU 8 HB2 GLU 8 -12.988 0.516 -6.078
57 HB3 GLU 8 HB3 GLU 8 -11.577 1.456 -5.602
58 HG2 GLU 8 HG2 GLU 8 -10.094 -0.206 -6.243
59 HG3 GLU 8 HG3 GLU 8 -11.329 -1.463 -6.181
60 H TRP 9 H TRP 9 -11.392 1.888 -2.678
61 HA TRP 9 HA TRP 9 -8.660 1.188 -2.461
62 HB2 TRP 9 HB2 TRP 9 -10.098 3.405 -1.756
63 HB3 TRP 9 HB3 TRP 9 -9.812 2.672 -0.179
64 HD1 TRP 9 HD1 TRP 9 -8.295 5.076 -2.411
65 HE1 TRP 9 HE1 TRP 9 -5.782 5.386 -1.944
66 HE3 TRP 9 HE3 TRP 9 -7.503 0.950 0.506
67 HZ2 TRP 9 HZ2 TRP 9 -3.740 4.044 -0.525
68 HZ3 TRP 9 HZ3 TRP 9 -5.243 0.529 1.370
69 HH2 TRP 9 HH2 TRP 9 -3.402 2.042 0.867
70 H MET 10 H MET 10 -11.464 0.652 -0.346
71 HA MET 10 HA MET 10 -10.187 -0.796 1.673
72 HB2 MET 10 HB2 MET 10 -12.524 -0.010 1.815
73 HB3 MET 10 HB3 MET 10 -12.993 -1.194 0.611
74 HG2 MET 10 HG2 MET 10 -12.390 -3.001 2.106
75 HG3 MET 10 HG3 MET 10 -11.818 -1.843 3.307
76 HE1 MET 10 HE1 MET 10 -15.155 -0.050 4.320
77 HE2 MET 10 HE2 MET 10 -14.030 0.441 3.055
78 HE3 MET 10 HE3 MET 10 -13.416 -0.149 4.600
79 H LYS 11 H LYS 11 -11.554 -1.816 -1.401
80 HA LYS 11 HA LYS 11 -11.193 -4.564 -1.197
81 HB2 LYS 11 HB2 LYS 11 -12.433 -3.417 -3.020
82 HB3 LYS 11 HB3 LYS 11 -10.907 -2.830 -3.664
83 HG2 LYS 11 HG2 LYS 11 -10.270 -5.327 -3.806
84 HG3 LYS 11 HG3 LYS 11 -12.006 -5.613 -3.651
85 HD2 LYS 11 HD2 LYS 11 -10.550 -4.106 -5.814
86 HD3 LYS 11 HD3 LYS 11 -11.548 -5.552 -5.976
87 HE2 LYS 11 HE2 LYS 11 -13.515 -4.227 -5.293
88 HE3 LYS 11 HE3 LYS 11 -12.500 -2.791 -5.226
89 HZ1 LYS 11 HZ1 LYS 11 -11.974 -3.251 -7.629
90 HZ2 LYS 11 HZ2 LYS 11 -13.557 -2.751 -7.305
91 HZ3 LYS 11 HZ3 LYS 11 -13.236 -4.381 -7.614
92 H ASN 12 H ASN 12 -9.062 -2.148 -2.702
93 HA ASN 12 HA ASN 12 -6.899 -3.824 -3.249
94 HB2 ASN 12 HB2 ASN 12 -6.996 -0.849 -2.716
95 HB3 ASN 12 HB3 ASN 12 -5.558 -1.689 -3.279
96 HD21 ASN 12 HD21 ASN 12 -7.126 0.421 -4.568
97 HD22 ASN 12 HD22 ASN 12 -7.622 -0.231 -6.089
98 H TYR 13 H TYR 13 -7.665 -1.936 -0.367
99 HA TYR 13 HA TYR 13 -5.286 -2.324 1.050
100 HB2 TYR 13 HB2 TYR 13 -6.980 -0.719 1.750
101 HB3 TYR 13 HB3 TYR 13 -8.113 -2.022 2.088
102 HD1 TYR 13 HD1 TYR 13 -4.588 -1.154 3.005
103 HD2 TYR 13 HD2 TYR 13 -8.410 -2.483 4.319
104 HE1 TYR 13 HE1 TYR 13 -3.753 -1.250 5.316
105 HE2 TYR 13 HE2 TYR 13 -7.586 -2.588 6.634
106 HH TYR 13 HH TYR 13 -4.509 -1.281 7.552
107 H GLU 14 H GLU 14 -8.284 -4.256 1.055
108 HA GLU 14 HA GLU 14 -7.382 -6.246 2.848
109 HB2 GLU 14 HB2 GLU 14 -9.515 -6.219 0.720
110 HB3 GLU 14 HB3 GLU 14 -9.215 -7.631 1.724
111 HG2 GLU 14 HG2 GLU 14 -9.868 -4.912 2.822
112 HG3 GLU 14 HG3 GLU 14 -11.071 -6.159 2.492
113 H GLU 15 H GLU 15 -7.273 -6.011 -0.682
114 HA GLU 15 HA GLU 15 -6.192 -8.553 -1.181
115 HB2 GLU 15 HB2 GLU 15 -6.025 -5.960 -2.710
116 HB3 GLU 15 HB3 GLU 15 -5.333 -7.460 -3.312
117 HG2 GLU 15 HG2 GLU 15 -8.237 -7.049 -2.626
118 HG3 GLU 15 HG3 GLU 15 -7.553 -6.982 -4.250
119 H LEU 16 H LEU 16 -4.724 -5.560 -0.149
120 HA LEU 16 HA LEU 16 -2.028 -6.506 -0.667
121 HB2 LEU 16 HB2 LEU 16 -3.096 -4.025 -0.627
122 HB3 LEU 16 HB3 LEU 16 -2.485 -4.112 1.014
123 HG LEU 16 HG LEU 16 -0.813 -4.567 -1.455
124 HD11 LEU 16 HD11 LEU 16 -1.026 -2.153 0.323
125 HD12 LEU 16 HD12 LEU 16 -1.607 -2.275 -1.337
126 HD13 LEU 16 HD13 LEU 16 0.122 -2.368 -0.998
127 HD21 LEU 16 HD21 LEU 16 0.038 -5.708 0.533
128 HD22 LEU 16 HD22 LEU 16 -0.021 -4.188 1.428
129 HD23 LEU 16 HD23 LEU 16 1.080 -4.364 0.060
130 H LYS 17 H LYS 17 -4.228 -5.966 1.981
131 HA LYS 17 HA LYS 17 -2.662 -6.684 4.153
132 HB2 LYS 17 HB2 LYS 17 -4.943 -5.816 4.313
133 HB3 LYS 17 HB3 LYS 17 -5.574 -7.263 3.550
134 HG2 LYS 17 HG2 LYS 17 -4.049 -7.549 6.075
135 HG3 LYS 17 HG3 LYS 17 -5.684 -6.894 6.136
136 HD2 LYS 17 HD2 LYS 17 -6.492 -8.879 4.911
137 HD3 LYS 17 HD3 LYS 17 -4.861 -9.542 4.954
138 HE2 LYS 17 HE2 LYS 17 -6.590 -8.899 7.339
139 HE3 LYS 17 HE3 LYS 17 -6.244 -10.509 6.711
140 HZ1 LYS 17 HZ1 LYS 17 -3.878 -10.101 7.195
141 HZ2 LYS 17 HZ2 LYS 17 -4.848 -10.070 8.584
142 HZ3 LYS 17 HZ3 LYS 17 -4.296 -8.619 7.912
143 H SER 18 H SER 18 -4.276 -8.651 1.741
144 HA SER 18 HA SER 18 -3.386 -11.129 2.906
145 HB2 SER 18 HB2 SER 18 -4.656 -10.546 0.222
146 HB3 SER 18 HB3 SER 18 -4.420 -12.150 0.921
147 HG SER 18 HG SER 18 -6.199 -10.108 1.674
148 H PHE 19 H PHE 19 -2.226 -8.848 0.550
149 HA PHE 19 HA PHE 19 -0.463 -10.668 -0.787
150 HB2 PHE 19 HB2 PHE 19 -1.447 -8.486 -1.725
151 HB3 PHE 19 HB3 PHE 19 -0.180 -7.670 -0.816
152 HD1 PHE 19 HD2 PHE 19 2.164 -7.943 -1.432
153 HD2 PHE 19 HD1 PHE 19 -0.947 -9.778 -3.680
154 HE1 PHE 19 HE2 PHE 19 3.742 -8.356 -3.274
155 HE2 PHE 19 HE1 PHE 19 0.621 -10.193 -5.529
156 HZ PHE 19 HZ PHE 19 2.973 -9.480 -5.326
157 H VAL 20 H VAL 20 -0.120 -8.276 1.805
158 HA VAL 20 HA VAL 20 2.639 -8.468 2.195
159 HB VAL 20 HB VAL 20 0.433 -8.071 4.223
160 HG11 VAL 20 HG11 VAL 20 3.401 -7.672 4.604
161 HG12 VAL 20 HG12 VAL 20 2.438 -8.963 5.323
162 HG13 VAL 20 HG13 VAL 20 2.138 -7.285 5.774
163 HG21 VAL 20 HG21 VAL 20 1.122 -5.730 4.134
164 HG22 VAL 20 HG22 VAL 20 0.616 -6.315 2.550
165 HG23 VAL 20 HG23 VAL 20 2.333 -6.130 2.914
166 H ARG 21 H ARG 21 0.024 -10.574 3.295
167 HA ARG 21 HA ARG 21 1.787 -12.352 4.704
168 HB2 ARG 21 HB2 ARG 21 -0.738 -11.988 5.070
169 HB3 ARG 21 HB3 ARG 21 -0.970 -13.040 3.685
170 HG2 ARG 21 HG2 ARG 21 0.686 -13.946 6.003
171 HG3 ARG 21 HG3 ARG 21 -1.073 -14.025 6.075
172 HD2 ARG 21 HD2 ARG 21 -1.135 -15.454 4.142
173 HD3 ARG 21 HD3 ARG 21 0.599 -15.264 3.895
174 HE ARG 21 HE ARG 21 0.428 -16.293 6.403
175 HH11 ARG 21 HH11 ARG 21 -0.923 -17.264 3.325
176 HH12 ARG 21 HH12 ARG 21 -0.819 -18.964 3.663
177 HH21 ARG 21 HH21 ARG 21 0.572 -18.520 6.862
178 HH22 ARG 21 HH22 ARG 21 0.009 -19.682 5.694
179 H LYS 22 H LYS 22 0.791 -11.929 1.450
180 HA LYS 22 HA LYS 22 1.178 -14.588 0.517
181 HB2 LYS 22 HB2 LYS 22 -0.290 -12.997 -0.623
182 HB3 LYS 22 HB3 LYS 22 1.082 -11.962 -0.976
183 HG2 LYS 22 HG2 LYS 22 0.472 -13.178 -2.947
184 HG3 LYS 22 HG3 LYS 22 2.039 -13.752 -2.376
185 HD2 LYS 22 HD2 LYS 22 0.987 -15.699 -1.377
186 HD3 LYS 22 HD3 LYS 22 -0.607 -15.104 -1.845
187 HE2 LYS 22 HE2 LYS 22 1.609 -15.783 -3.775
188 HE3 LYS 22 HE3 LYS 22 0.284 -16.866 -3.352
189 HZ1 LYS 22 HZ1 LYS 22 -1.285 -15.332 -4.274
190 HZ2 LYS 22 HZ2 LYS 22 -0.087 -15.631 -5.434
191 HZ3 LYS 22 HZ3 LYS 22 -0.078 -14.177 -4.572
192 H TYR 23 H TYR 23 3.119 -11.612 -0.077
193 HA TYR 23 HA TYR 23 5.466 -13.381 -0.372
194 HB2 TYR 23 HB2 TYR 23 4.669 -11.030 -2.078
195 HB3 TYR 23 HB3 TYR 23 6.316 -11.646 -2.042
196 HD1 TYR 23 HD1 TYR 23 6.523 -14.240 -2.491
197 HD2 TYR 23 HD2 TYR 23 3.221 -11.838 -3.676
198 HE1 TYR 23 HE1 TYR 23 5.951 -15.893 -4.219
199 HE2 TYR 23 HE2 TYR 23 2.630 -13.489 -5.402
200 HH TYR 23 HH TYR 23 4.039 -16.603 -5.534
201 H ARG 24 H ARG 24 4.222 -11.215 1.627
202 HA ARG 24 HA ARG 24 4.942 -9.629 3.070
203 HB2 ARG 24 HB2 ARG 24 7.459 -11.129 2.514
204 HB3 ARG 24 HB3 ARG 24 7.574 -9.598 3.371
205 HG2 ARG 24 HG2 ARG 24 5.988 -12.015 4.214
206 HG3 ARG 24 HG3 ARG 24 7.482 -11.417 4.943
207 HD2 ARG 24 HD2 ARG 24 6.153 -9.221 5.276
208 HD3 ARG 24 HD3 ARG 24 4.733 -10.230 5.021
209 HE ARG 24 HE ARG 24 6.434 -10.151 7.343
210 HH11 ARG 24 HH11 ARG 24 4.125 -12.068 5.533
211 HH12 ARG 24 HH12 ARG 24 3.674 -13.055 6.892
212 HH21 ARG 24 HH21 ARG 24 5.836 -11.419 9.139
213 HH22 ARG 24 HH22 ARG 24 4.669 -12.699 8.943
214 H ARG 25 H ARG 25 4.386 -7.780 2.081
215 HA ARG 25 HA ARG 25 4.444 -5.900 0.839
216 HB2 ARG 25 HB2 ARG 25 6.483 -5.649 2.315
217 HB3 ARG 25 HB3 ARG 25 7.441 -6.245 0.971
218 HG2 ARG 25 HG2 ARG 25 6.324 -4.301 -0.334
219 HG3 ARG 25 HG3 ARG 25 6.016 -3.653 1.282
220 HD2 ARG 25 HD2 ARG 25 8.364 -3.818 1.811
221 HD3 ARG 25 HD3 ARG 25 8.683 -4.524 0.229
222 HE ARG 25 HE ARG 25 7.403 -2.009 -0.039
223 HH11 ARG 25 HH11 ARG 25 10.510 -3.474 0.647
224 HH12 ARG 25 HH12 ARG 25 11.409 -2.070 0.168
225 HH21 ARG 25 HH21 ARG 25 8.571 -0.191 -0.690
226 HH22 ARG 25 HH22 ARG 25 10.308 -0.185 -0.582
227 H PHE 26 H PHE 26 5.884 -4.994 -1.246
228 HA PHE 26 HA PHE 26 6.571 -7.229 -2.977
229 HB2 PHE 26 HB2 PHE 26 5.445 -5.775 -4.866
230 HB3 PHE 26 HB3 PHE 26 4.487 -6.899 -3.912
231 HD1 PHE 26 HD2 PHE 26 5.611 -3.328 -3.725
232 HD2 PHE 26 HD1 PHE 26 2.475 -6.147 -3.149
233 HE1 PHE 26 HE2 PHE 26 4.095 -1.506 -3.068
234 HE2 PHE 26 HE1 PHE 26 0.954 -4.332 -2.494
235 HZ PHE 26 HZ PHE 26 1.763 -2.007 -2.452
236 HA PRO 27 HA PRO 27 9.744 -4.267 -4.118
237 HB2 PRO 27 HB2 PRO 27 10.987 -6.188 -5.781
238 HB3 PRO 27 HB3 PRO 27 11.404 -5.812 -4.109
239 HG2 PRO 27 HG2 PRO 27 10.335 -8.225 -5.034
240 HG3 PRO 27 HG3 PRO 27 10.417 -7.701 -3.344
241 HD2 PRO 27 HD2 PRO 27 8.124 -7.613 -5.252
242 HD3 PRO 27 HD3 PRO 27 8.129 -7.889 -3.494
243 H LYS 28 H LYS 28 7.804 -6.218 -6.213
244 HA LYS 28 HA LYS 28 7.251 -4.206 -8.076
245 HB2 LYS 28 HB2 LYS 28 9.641 -4.754 -8.716
246 HB3 LYS 28 HB3 LYS 28 9.089 -6.368 -9.137
247 HG2 LYS 28 HG2 LYS 28 7.662 -5.477 -10.859
248 HG3 LYS 28 HG3 LYS 28 8.081 -3.826 -10.392
249 HD2 LYS 28 HD2 LYS 28 10.441 -4.309 -10.935
250 HD3 LYS 28 HD3 LYS 28 9.964 -5.917 -11.480
251 HE2 LYS 28 HE2 LYS 28 8.562 -4.940 -13.203
252 HE3 LYS 28 HE3 LYS 28 8.963 -3.319 -12.631
253 HZ1 LYS 28 HZ1 LYS 28 11.253 -3.691 -13.214
254 HZ2 LYS 28 HZ2 LYS 28 10.271 -3.971 -14.568
255 HZ3 LYS 28 HZ3 LYS 28 10.914 -5.281 -13.703
256 H SER 29 H SER 29 5.216 -5.045 -7.435
257 HA SER 29 HA SER 29 4.630 -7.838 -7.727
258 HB2 SER 29 HB2 SER 29 2.262 -6.957 -7.142
259 HB3 SER 29 HB3 SER 29 3.531 -6.835 -5.920
260 HG SER 29 HG SER 29 2.077 -4.886 -6.723
261 H THR 30 H THR 30 3.409 -8.838 -9.241
262 HA THR 30 HA THR 30 2.415 -7.208 -11.485
263 HB THR 30 HB THR 30 2.745 -9.353 -12.837
264 HG1 THR 30 HG1 THR 30 4.583 -10.619 -11.813
265 HG21 THR 30 HG21 THR 30 5.202 -7.963 -11.748
266 HG22 THR 30 HG22 THR 30 4.207 -7.400 -13.089
267 HG23 THR 30 HG23 THR 30 5.122 -8.899 -13.240
268 H GLU 31 H GLU 31 1.352 -8.661 -8.868
269 HA GLU 31 HA GLU 31 -0.594 -10.471 -10.054
270 HB2 GLU 31 HB2 GLU 31 0.862 -11.012 -8.014
271 HB3 GLU 31 HB3 GLU 31 -0.203 -9.940 -7.121
272 HG2 GLU 31 HG2 GLU 31 -2.102 -11.329 -7.615
273 HG3 GLU 31 HG3 GLU 31 -1.119 -12.358 -8.656
274 H GLY 32 H GLY 32 -2.347 -9.509 -10.782
275 HA2 GLY 32 HA2 GLY 32 -4.341 -8.403 -10.803
276 HA3 GLY 32 HA3 GLY 32 -4.351 -8.665 -9.070
277 H ASN 33 H ASN 33 -5.101 -6.826 -8.296
278 HA ASN 33 HA ASN 33 -4.728 -4.287 -9.472
279 HB2 ASN 33 HB2 ASN 33 -5.714 -5.163 -6.758
280 HB3 ASN 33 HB3 ASN 33 -5.606 -3.465 -7.202
281 HD21 ASN 33 HD21 ASN 33 -7.803 -3.168 -7.016
282 HD22 ASN 33 HD22 ASN 33 -8.931 -3.789 -8.180
283 H LEU 34 H LEU 34 -3.011 -6.011 -6.959
284 HA LEU 34 HA LEU 34 -1.656 -3.803 -5.849
285 HB2 LEU 34 HB2 LEU 34 -0.889 -6.712 -5.908
286 HB3 LEU 34 HB3 LEU 34 -0.044 -5.491 -4.989
287 HG LEU 34 HG LEU 34 -1.410 -6.531 -3.412
288 HD11 LEU 34 HD11 LEU 34 -2.962 -4.142 -4.386
289 HD12 LEU 34 HD12 LEU 34 -1.593 -4.119 -3.274
290 HD13 LEU 34 HD13 LEU 34 -3.109 -4.885 -2.792
291 HD21 LEU 34 HD21 LEU 34 -3.683 -6.409 -5.388
292 HD22 LEU 34 HD22 LEU 34 -3.771 -7.048 -3.747
293 HD23 LEU 34 HD23 LEU 34 -2.763 -7.847 -4.953
294 H GLY 35 H GLY 35 -1.025 -5.817 -8.622
295 HA2 GLY 35 HA2 GLY 35 1.620 -5.150 -9.174
296 HA3 GLY 35 HA3 GLY 35 0.397 -5.478 -10.396
297 H GLY 36 H GLY 36 -1.333 -3.370 -10.000
298 HA2 GLY 36 HA2 GLY 36 0.198 -1.191 -11.159
299 HA3 GLY 36 HA3 GLY 36 -1.547 -1.258 -10.991
300 H TRP 37 H TRP 37 -1.277 -1.986 -8.128
301 HA TRP 37 HA TRP 37 -1.628 0.545 -6.999
302 HB2 TRP 37 HB2 TRP 37 -2.304 -1.782 -6.097
303 HB3 TRP 37 HB3 TRP 37 -0.691 -1.804 -5.380
304 HD1 TRP 37 HD1 TRP 37 -4.012 0.077 -5.205
305 HE1 TRP 37 HE1 TRP 37 -4.099 1.387 -3.010
306 HE3 TRP 37 HE3 TRP 37 0.759 -0.762 -3.545
307 HZ2 TRP 37 HZ2 TRP 37 -2.392 1.985 -0.833
308 HZ3 TRP 37 HZ3 TRP 37 1.450 0.218 -1.395
309 HH2 TRP 37 HH2 TRP 37 -0.097 1.566 -0.069
310 H CYS 38 H CYS 38 1.192 -1.634 -6.784
311 HA CYS 38 HA CYS 38 2.794 0.062 -5.234
312 HB2 CYS 38 HB2 CYS 38 4.702 -1.279 -6.041
313 HB3 CYS 38 HB3 CYS 38 3.349 -2.287 -5.545
314 HG CYS 38 HG CYS 38 3.395 -3.688 -7.674
315 H HIS 39 H HIS 39 2.417 -0.209 -8.719
316 HA HIS 39 HA HIS 39 4.447 1.525 -9.537
317 HB2 HIS 39 HB2 HIS 39 1.763 0.933 -10.805
318 HB3 HIS 39 HB3 HIS 39 3.043 1.829 -11.605
319 HD1 HIS 39 HD1 HIS 39 1.962 -0.747 -12.829
320 HD2 HIS 39 HD2 HIS 39 5.258 -0.597 -10.291
321 HE1 HIS 39 HE1 HIS 39 3.301 -2.818 -13.327
322 HE2 HIS 39 HE2 HIS 39 5.249 -2.751 -11.732
323 H THR 40 H THR 40 1.081 2.167 -8.692
324 HA THR 40 HA THR 40 1.227 4.943 -9.387
325 HB THR 40 HB THR 40 -0.893 3.600 -7.698
326 HG1 THR 40 HG1 THR 40 -0.586 2.439 -9.678
327 HG21 THR 40 HG21 THR 40 -2.354 5.319 -8.673
328 HG22 THR 40 HG22 THR 40 -0.979 5.985 -9.555
329 HG23 THR 40 HG23 THR 40 -1.006 6.041 -7.794
330 H GLN 41 H GLN 41 1.382 3.083 -6.381
331 HA GLN 41 HA GLN 41 1.238 5.444 -4.755
332 HB2 GLN 41 HB2 GLN 41 1.080 2.605 -4.335
333 HB3 GLN 41 HB3 GLN 41 2.198 3.326 -3.184
334 HG2 GLN 41 HG2 GLN 41 -0.014 3.262 -2.248
335 HG3 GLN 41 HG3 GLN 41 0.473 4.930 -2.523
336 HE21 GLN 41 HE21 GLN 41 -0.605 2.767 -5.051
337 HE22 GLN 41 HE22 GLN 41 -2.099 3.581 -5.379
338 H ARG 42 H ARG 42 3.792 3.606 -6.212
339 HA ARG 42 HA ARG 42 5.897 4.477 -4.527
340 HB2 ARG 42 HB2 ARG 42 6.137 2.615 -6.161
341 HB3 ARG 42 HB3 ARG 42 6.044 3.779 -7.474
342 HG2 ARG 42 HG2 ARG 42 8.136 4.129 -5.377
343 HG3 ARG 42 HG3 ARG 42 8.357 2.896 -6.618
344 HD2 ARG 42 HD2 ARG 42 8.387 4.474 -8.343
345 HD3 ARG 42 HD3 ARG 42 7.644 5.718 -7.342
346 HE ARG 42 HE ARG 42 9.832 5.637 -6.063
347 HH11 ARG 42 HH11 ARG 42 9.593 4.934 -9.480
348 HH12 ARG 42 HH12 ARG 42 11.214 5.445 -9.826
349 HH21 ARG 42 HH21 ARG 42 11.937 6.378 -6.514
350 HH22 ARG 42 HH22 ARG 42 12.552 6.285 -8.140
351 H LYS 43 H LYS 43 4.225 5.917 -7.235
352 HA LYS 43 HA LYS 43 5.957 8.029 -7.823
353 HB2 LYS 43 HB2 LYS 43 2.938 8.168 -7.841
354 HB3 LYS 43 HB3 LYS 43 4.051 9.135 -8.801
355 HG2 LYS 43 HG2 LYS 43 4.762 7.049 -9.949
356 HG3 LYS 43 HG3 LYS 43 3.498 6.191 -9.063
357 HD2 LYS 43 HD2 LYS 43 3.184 8.372 -11.110
358 HD3 LYS 43 HD3 LYS 43 2.593 6.715 -11.166
359 HE2 LYS 43 HE2 LYS 43 1.032 7.165 -9.374
360 HE3 LYS 43 HE3 LYS 43 1.653 8.806 -9.219
361 HZ1 LYS 43 HZ1 LYS 43 -0.356 8.864 -10.484
362 HZ2 LYS 43 HZ2 LYS 43 0.206 7.664 -11.547
363 HZ3 LYS 43 HZ3 LYS 43 0.933 9.200 -11.537
364 H MET 44 H MET 44 3.170 7.921 -5.646
365 HA MET 44 HA MET 44 3.371 10.500 -4.589
366 HB2 MET 44 HB2 MET 44 2.477 8.184 -2.889
367 HB3 MET 44 HB3 MET 44 1.846 9.823 -2.938
368 HG2 MET 44 HG2 MET 44 1.457 7.661 -4.987
369 HG3 MET 44 HG3 MET 44 0.246 8.337 -3.902
370 HE1 MET 44 HE1 MET 44 0.087 7.969 -7.096
371 HE2 MET 44 HE2 MET 44 -0.741 9.453 -7.568
372 HE3 MET 44 HE3 MET 44 -1.275 8.559 -6.142
373 H ARG 45 H ARG 45 5.030 7.549 -3.764
374 HA ARG 45 HA ARG 45 6.151 8.426 -1.294
375 HB2 ARG 45 HB2 ARG 45 5.844 6.043 -2.022
376 HB3 ARG 45 HB3 ARG 45 7.143 6.263 -3.172
377 HG2 ARG 45 HG2 ARG 45 7.613 6.745 -0.260
378 HG3 ARG 45 HG3 ARG 45 7.599 5.107 -0.907
379 HD2 ARG 45 HD2 ARG 45 9.296 6.014 -2.629
380 HD3 ARG 45 HD3 ARG 45 9.486 7.356 -1.500
381 HE ARG 45 HE ARG 45 9.845 4.584 -0.579
382 HH11 ARG 45 HH11 ARG 45 11.162 7.770 -1.158
383 HH12 ARG 45 HH12 ARG 45 12.632 7.464 -0.295
384 HH21 ARG 45 HH21 ARG 45 11.764 4.180 0.587
385 HH22 ARG 45 HH22 ARG 45 12.969 5.423 0.728
386 H LYS 46 H LYS 46 7.271 8.399 -4.640
387 HA LYS 46 HA LYS 46 9.847 9.513 -4.095
388 HB2 LYS 46 HB2 LYS 46 9.815 8.406 -6.120
389 HB3 LYS 46 HB3 LYS 46 8.198 8.959 -6.522
390 HG2 LYS 46 HG2 LYS 46 9.788 9.930 -8.033
391 HG3 LYS 46 HG3 LYS 46 9.094 11.189 -7.016
392 HD2 LYS 46 HD2 LYS 46 11.174 10.905 -5.550
393 HD3 LYS 46 HD3 LYS 46 11.851 9.991 -6.906
394 HE2 LYS 46 HE2 LYS 46 11.365 11.937 -8.374
395 HE3 LYS 46 HE3 LYS 46 10.856 12.841 -6.952
396 HZ1 LYS 46 HZ1 LYS 46 13.127 13.357 -7.557
397 HZ2 LYS 46 HZ2 LYS 46 13.577 11.731 -7.411
398 HZ3 LYS 46 HZ3 LYS 46 13.082 12.604 -6.042
399 H GLN 47 H GLN 47 6.819 10.850 -5.337
400 HA GLN 47 HA GLN 47 7.654 13.519 -5.559
401 HB2 GLN 47 HB2 GLN 47 4.972 12.193 -5.287
402 HB3 GLN 47 HB3 GLN 47 5.115 13.941 -5.388
403 HG2 GLN 47 HG2 GLN 47 5.993 13.851 -7.563
404 HG3 GLN 47 HG3 GLN 47 6.329 12.125 -7.441
405 HE21 GLN 47 HE21 GLN 47 3.844 14.546 -7.841
406 HE22 GLN 47 HE22 GLN 47 2.625 13.466 -8.443
407 H GLY 48 H GLY 48 6.777 11.651 -2.803
408 HA2 GLY 48 HA2 GLY 48 6.937 12.201 -0.562
409 HA3 GLY 48 HA3 GLY 48 7.424 13.824 -1.037
410 H LYS 49 H LYS 49 4.523 12.301 -2.205
411 HA LYS 49 HA LYS 49 2.948 14.262 -0.672
412 HB2 LYS 49 HB2 LYS 49 1.262 14.032 -2.518
413 HB3 LYS 49 HB3 LYS 49 2.770 14.800 -2.982
414 HG2 LYS 49 HG2 LYS 49 3.510 12.857 -4.122
415 HG3 LYS 49 HG3 LYS 49 2.197 11.890 -3.449
416 HD2 LYS 49 HD2 LYS 49 1.756 14.266 -5.245
417 HD3 LYS 49 HD3 LYS 49 1.888 12.610 -5.838
418 HE2 LYS 49 HE2 LYS 49 -0.022 11.953 -4.490
419 HE3 LYS 49 HE3 LYS 49 -0.130 13.579 -3.820
420 HZ1 LYS 49 HZ1 LYS 49 -1.691 12.995 -5.707
421 HZ2 LYS 49 HZ2 LYS 49 -0.335 13.068 -6.727
422 HZ3 LYS 49 HZ3 LYS 49 -0.819 14.442 -5.860
423 H LEU 50 H LEU 50 3.748 11.143 -0.715
424 HA LEU 50 HA LEU 50 1.355 9.720 -0.403
425 HB2 LEU 50 HB2 LEU 50 4.176 9.365 0.161
426 HB3 LEU 50 HB3 LEU 50 3.210 8.699 1.457
427 HG LEU 50 HG LEU 50 3.165 7.910 -1.452
428 HD11 LEU 50 HD11 LEU 50 3.925 6.423 1.058
429 HD12 LEU 50 HD12 LEU 50 5.027 7.015 -0.187
430 HD13 LEU 50 HD13 LEU 50 3.873 5.738 -0.567
431 HD21 LEU 50 HD21 LEU 50 1.507 6.237 -0.844
432 HD22 LEU 50 HD22 LEU 50 0.888 7.865 -0.574
433 HD23 LEU 50 HD23 LEU 50 1.431 6.891 0.793
434 HA PRO 51 HA PRO 51 0.107 11.443 3.544
435 HB2 PRO 51 HB2 PRO 51 -2.103 9.977 3.944
436 HB3 PRO 51 HB3 PRO 51 -2.035 11.240 2.708
437 HG2 PRO 51 HG2 PRO 51 -1.828 8.282 2.409
438 HG3 PRO 51 HG3 PRO 51 -2.631 9.459 1.359
439 HD2 PRO 51 HD2 PRO 51 -0.128 8.367 0.898
440 HD3 PRO 51 HD3 PRO 51 -0.725 9.881 0.203
441 H ASN 52 H ASN 52 0.181 10.927 5.666
442 HA ASN 52 HA ASN 52 1.758 8.664 6.404
443 HB2 ASN 52 HB2 ASN 52 0.352 10.780 8.040
444 HB3 ASN 52 HB3 ASN 52 1.337 9.508 8.752
445 HD21 ASN 52 HD21 ASN 52 3.551 9.565 8.520
446 HD22 ASN 52 HD22 ASN 52 4.390 10.967 7.948
447 H ASP 53 H ASP 53 -1.624 9.439 6.371
448 HA ASP 53 HA ASP 53 -2.608 7.406 8.029
449 HB2 ASP 53 HB2 ASP 53 -3.803 8.730 5.593
450 HB3 ASP 53 HB3 ASP 53 -4.681 7.561 6.572
451 H ARG 54 H ARG 54 -2.102 7.407 4.506
452 HA ARG 54 HA ARG 54 -2.792 4.711 4.100
453 HB2 ARG 54 HB2 ARG 54 -2.564 6.552 2.358
454 HB3 ARG 54 HB3 ARG 54 -0.830 6.285 2.433
455 HG2 ARG 54 HG2 ARG 54 -2.288 3.813 2.024
456 HG3 ARG 54 HG3 ARG 54 -2.636 5.007 0.774
457 HD2 ARG 54 HD2 ARG 54 -0.790 3.768 -0.016
458 HD3 ARG 54 HD3 ARG 54 -0.129 5.301 0.547
459 HE ARG 54 HE ARG 54 -0.010 3.420 2.633
460 HH11 ARG 54 HH11 ARG 54 1.442 4.075 -0.480
461 HH12 ARG 54 HH12 ARG 54 2.938 3.290 -0.096
462 HH21 ARG 54 HH21 ARG 54 1.951 2.378 3.147
463 HH22 ARG 54 HH22 ARG 54 3.228 2.321 1.981
464 H ARG 55 H ARG 55 0.266 6.299 4.801
465 HA ARG 55 HA ARG 55 1.934 4.061 4.537
466 HB2 ARG 55 HB2 ARG 55 2.785 6.345 4.675
467 HB3 ARG 55 HB3 ARG 55 2.204 6.485 6.325
468 HG2 ARG 55 HG2 ARG 55 4.141 4.320 5.676
469 HG3 ARG 55 HG3 ARG 55 4.723 5.981 5.798
470 HD2 ARG 55 HD2 ARG 55 3.854 6.164 8.038
471 HD3 ARG 55 HD3 ARG 55 3.129 4.563 7.922
472 HE ARG 55 HE ARG 55 5.846 4.251 7.463
473 HH11 ARG 55 HH11 ARG 55 3.797 5.387 10.052
474 HH12 ARG 55 HH12 ARG 55 4.846 4.826 11.321
475 HH21 ARG 55 HH21 ARG 55 7.264 3.537 9.137
476 HH22 ARG 55 HH22 ARG 55 6.823 3.794 10.799
477 H LEU 56 H LEU 56 0.162 5.324 7.344
478 HA LEU 56 HA LEU 56 1.179 3.412 9.173
479 HB2 LEU 56 HB2 LEU 56 0.130 5.650 9.716
480 HB3 LEU 56 HB3 LEU 56 -1.424 4.899 9.415
481 HG LEU 56 HG LEU 56 -0.968 3.280 11.233
482 HD11 LEU 56 HD11 LEU 56 1.461 3.304 11.163
483 HD12 LEU 56 HD12 LEU 56 0.879 3.718 12.776
484 HD13 LEU 56 HD13 LEU 56 1.473 4.984 11.703
485 HD21 LEU 56 HD21 LEU 56 -0.750 6.175 12.036
486 HD22 LEU 56 HD22 LEU 56 -1.291 4.849 13.065
487 HD23 LEU 56 HD23 LEU 56 -2.244 5.318 11.657
488 H LEU 57 H LEU 57 -1.826 3.552 7.271
489 HA LEU 57 HA LEU 57 -3.057 1.279 8.327
490 HB2 LEU 57 HB2 LEU 57 -3.298 2.848 5.847
491 HB3 LEU 57 HB3 LEU 57 -3.870 1.196 5.739
492 HG LEU 57 HG LEU 57 -5.405 1.605 7.624
493 HD11 LEU 57 HD11 LEU 57 -4.423 4.449 7.451
494 HD12 LEU 57 HD12 LEU 57 -4.160 3.333 8.790
495 HD13 LEU 57 HD13 LEU 57 -5.790 3.887 8.414
496 HD21 LEU 57 HD21 LEU 57 -5.656 3.583 5.360
497 HD22 LEU 57 HD22 LEU 57 -6.963 3.061 6.426
498 HD23 LEU 57 HD23 LEU 57 -6.192 1.903 5.344
499 H LEU 58 H LEU 58 -0.679 1.589 5.746
500 HA LEU 58 HA LEU 58 -0.656 -1.181 5.073
501 HB2 LEU 58 HB2 LEU 58 1.009 1.197 4.438
502 HB3 LEU 58 HB3 LEU 58 1.754 -0.376 4.227
503 HG LEU 58 HG LEU 58 0.796 0.481 2.136
504 HD11 LEU 58 HD11 LEU 58 -0.617 -1.932 3.250
505 HD12 LEU 58 HD12 LEU 58 0.965 -1.907 2.470
506 HD13 LEU 58 HD13 LEU 58 -0.482 -1.517 1.541
507 HD21 LEU 58 HD21 LEU 58 -1.626 0.627 1.847
508 HD22 LEU 58 HD22 LEU 58 -1.057 1.780 3.054
509 HD23 LEU 58 HD23 LEU 58 -1.857 0.292 3.564
510 H ASP 59 H ASP 59 1.327 0.860 7.163
511 HA ASP 59 HA ASP 59 3.225 -1.065 7.903
512 HB2 ASP 59 HB2 ASP 59 3.309 1.441 8.300
513 HB3 ASP 59 HB3 ASP 59 2.221 1.185 9.659
514 H LYS 60 H LYS 60 -0.028 -0.486 8.941
515 HA LYS 60 HA LYS 60 0.072 -2.030 11.331
516 HB2 LYS 60 HB2 LYS 60 -1.857 -0.427 9.903
517 HB3 LYS 60 HB3 LYS 60 -2.585 -1.923 10.471
518 HG2 LYS 60 HG2 LYS 60 -2.824 -0.076 12.071
519 HG3 LYS 60 HG3 LYS 60 -1.928 -1.443 12.735
520 HD2 LYS 60 HD2 LYS 60 0.178 -0.271 12.299
521 HD3 LYS 60 HD3 LYS 60 -0.721 1.096 11.635
522 HE2 LYS 60 HE2 LYS 60 -0.095 1.578 13.913
523 HE3 LYS 60 HE3 LYS 60 -1.842 1.378 13.809
524 HZ1 LYS 60 HZ1 LYS 60 -1.014 0.254 15.745
525 HZ2 LYS 60 HZ2 LYS 60 0.111 -0.622 14.826
526 HZ3 LYS 60 HZ3 LYS 60 -1.552 -0.914 14.635
527 H ILE 61 H ILE 61 -0.618 -2.809 7.956
528 HA ILE 61 HA ILE 61 -1.628 -5.429 8.720
529 HB ILE 61 HB ILE 61 -1.759 -5.896 6.265
530 HG12 ILE 61 HG12 ILE 61 -1.120 -2.955 5.985
531 HG13 ILE 61 HG13 ILE 61 -0.011 -4.259 5.574
532 HG21 ILE 61 HG21 ILE 61 -3.703 -4.466 5.896
533 HG22 ILE 61 HG22 ILE 61 -3.219 -3.466 7.266
534 HG23 ILE 61 HG23 ILE 61 -3.681 -5.149 7.523
535 HD11 ILE 61 HD11 ILE 61 -1.615 -5.055 3.888
536 HD12 ILE 61 HD12 ILE 61 -1.080 -3.402 3.587
537 HD13 ILE 61 HD13 ILE 61 -2.673 -3.701 4.282
538 H GLY 62 H GLY 62 1.343 -4.136 8.574
539 HA2 GLY 62 HA2 GLY 62 3.227 -5.488 9.132
540 HA3 GLY 62 HA3 GLY 62 2.492 -6.815 8.248
541 H PHE 63 H PHE 63 2.384 -3.806 6.653
542 HA PHE 63 HA PHE 63 3.977 -4.729 4.499
543 HB2 PHE 63 HB2 PHE 63 2.093 -3.026 4.403
544 HB3 PHE 63 HB3 PHE 63 3.218 -1.864 5.090
545 HD1 PHE 63 HD1 PHE 63 2.490 -3.958 2.163
546 HD2 PHE 63 HD2 PHE 63 4.846 -0.787 3.738
547 HE1 PHE 63 HE1 PHE 63 3.233 -3.390 -0.108
548 HE2 PHE 63 HE2 PHE 63 5.602 -0.214 1.466
549 HZ PHE 63 HZ PHE 63 4.793 -1.515 -0.461
550 H VAL 64 H VAL 64 6.044 -5.103 4.771
551 HA VAL 64 HA VAL 64 7.646 -3.683 6.642
552 HB VAL 64 HB VAL 64 7.915 -6.101 6.045
553 HG11 VAL 64 HG11 VAL 64 7.692 -5.942 3.636
554 HG12 VAL 64 HG12 VAL 64 9.226 -6.695 4.075
555 HG13 VAL 64 HG13 VAL 64 9.192 -5.015 3.543
556 HG21 VAL 64 HG21 VAL 64 9.647 -4.952 7.276
557 HG22 VAL 64 HG22 VAL 64 10.360 -4.356 5.776
558 HG23 VAL 64 HG23 VAL 64 10.374 -6.084 6.137
559 H TRP 65 H TRP 65 9.368 -2.272 6.222
560 HA TRP 65 HA TRP 65 9.200 -0.954 3.591
561 HB2 TRP 65 HB2 TRP 65 10.292 0.168 6.182
562 HB3 TRP 65 HB3 TRP 65 10.027 1.051 4.683
563 HD1 TRP 65 HD1 TRP 65 8.264 -0.120 7.797
564 HE1 TRP 65 HE1 TRP 65 5.839 0.740 7.803
565 HE3 TRP 65 HE3 TRP 65 8.043 1.652 3.007
566 HZ2 TRP 65 HZ2 TRP 65 4.072 2.015 6.003
567 HZ3 TRP 65 HZ3 TRP 65 5.946 2.680 2.231
568 HH2 TRP 65 HH2 TRP 65 4.005 2.855 3.699
569 H SER 66 H SER 66 10.859 -3.324 4.631
570 HA SER 66 HA SER 66 12.951 -4.185 4.465
571 HB2 SER 66 HB2 SER 66 13.304 -1.882 2.526
572 HB3 SER 66 HB3 SER 66 14.442 -3.216 2.711
573 HG SER 66 HG SER 66 12.862 -4.637 1.982
574 H LEU 67 H LEU 67 15.391 -2.540 3.975
575 HA LEU 67 HA LEU 67 15.701 -1.492 6.661
576 HB2 LEU 67 HB2 LEU 67 17.644 -1.898 4.393
577 HB3 LEU 67 HB3 LEU 67 18.079 -1.031 5.852
578 HG LEU 67 HG LEU 67 17.447 -3.118 7.143
579 HD11 LEU 67 HD11 LEU 67 17.546 -4.358 4.398
580 HD12 LEU 67 HD12 LEU 67 16.105 -4.184 5.402
581 HD13 LEU 67 HD13 LEU 67 17.429 -5.222 5.932
582 HD21 LEU 67 HD21 LEU 67 19.730 -3.254 5.180
583 HD22 LEU 67 HD22 LEU 67 19.572 -4.239 6.636
584 HD23 LEU 67 HD23 LEU 67 19.754 -2.489 6.769
585 H GLU 68 H GLU 68 17.262 0.616 6.538
586 HA GLU 68 HA GLU 68 17.221 2.856 6.376
587 HB2 GLU 68 HB2 GLU 68 16.377 2.082 3.620
588 HB3 GLU 68 HB3 GLU 68 16.274 3.771 4.099
589 HG2 GLU 68 HG2 GLU 68 18.739 2.048 4.122
590 HG3 GLU 68 HG3 GLU 68 18.373 3.366 3.005
591 H HIS 69 H HIS 69 15.584 2.525 8.080
592 HA HIS 69 HA HIS 69 12.932 3.522 7.339
593 HB2 HIS 69 HB2 HIS 69 14.101 2.660 9.999
594 HB3 HIS 69 HB3 HIS 69 12.469 3.289 9.803
595 HD1 HIS 69 HD1 HIS 69 10.687 1.650 9.160
596 HD2 HIS 69 HD2 HIS 69 14.525 0.127 8.659
597 HE1 HIS 69 HE1 HIS 69 10.387 -0.778 8.577
598 HE2 HIS 69 HE2 HIS 69 12.712 -1.626 8.105
599 H HIS 70 H HIS 70 15.658 4.903 7.316
600 HA HIS 70 HA HIS 70 15.513 6.999 9.255
601 HB2 HIS 70 HB2 HIS 70 17.155 6.712 6.727
602 HB3 HIS 70 HB3 HIS 70 17.335 8.034 7.872
603 HD1 HIS 70 HD1 HIS 70 19.347 7.690 9.240
604 HD2 HIS 70 HD2 HIS 70 17.443 4.089 8.387
605 HE1 HIS 70 HE1 HIS 70 20.721 5.909 10.368
606 HE2 HIS 70 HE2 HIS 70 19.443 3.768 10.000
607 H HIS 71 H HIS 71 15.134 9.237 8.803
608 HA HIS 71 HA HIS 71 12.873 9.753 7.218
609 HB2 HIS 71 HB2 HIS 71 14.848 11.453 8.666
610 HB3 HIS 71 HB3 HIS 71 13.785 12.227 7.495
611 HD1 HIS 71 HD1 HIS 71 11.519 12.853 8.286
612 HD2 HIS 71 HD2 HIS 71 13.354 10.070 10.785
613 HE1 HIS 71 HE1 HIS 71 9.999 12.614 10.278
614 HE2 HIS 71 HE2 HIS 71 11.207 11.059 11.849
615 H HIS 72 H HIS 72 12.807 9.586 5.099
616 HA HIS 72 HA HIS 72 14.789 11.091 3.536
617 HB2 HIS 72 HB2 HIS 72 13.656 8.356 2.906
618 HB3 HIS 72 HB3 HIS 72 14.420 9.371 1.692
619 HD1 HIS 72 HD1 HIS 72 16.989 9.575 1.750
620 HD2 HIS 72 HD2 HIS 72 15.419 7.148 4.745
621 HE1 HIS 72 HE1 HIS 72 18.951 8.330 2.721
622 HE2 HIS 72 HE2 HIS 72 17.940 6.695 4.350
623 H HIS 73 H HIS 73 13.860 12.615 2.357
624 HA HIS 73 HA HIS 73 12.419 13.690 0.957
625 HB2 HIS 73 HB2 HIS 73 10.876 11.112 1.121
626 HB3 HIS 73 HB3 HIS 73 10.219 12.526 0.307
627 HD1 HIS 73 HD1 HIS 73 10.510 12.312 -2.115
628 HD2 HIS 73 HD2 HIS 73 13.732 10.715 -0.031
629 HE1 HIS 73 HE1 HIS 73 12.102 11.479 -3.869
630 HE2 HIS 73 HE2 HIS 73 14.142 10.746 -2.587
631 H HIS 74 H HIS 74 12.071 13.173 4.083
632 HA HIS 74 HA HIS 74 10.039 15.192 4.369
633 HB2 HIS 74 HB2 HIS 74 8.752 13.021 4.155
634 HB3 HIS 74 HB3 HIS 74 9.527 12.493 5.644
635 HD1 HIS 74 HD1 HIS 74 8.941 13.982 7.813
636 HD2 HIS 74 HD2 HIS 74 6.506 14.531 4.495
637 HE1 HIS 74 HE1 HIS 74 6.871 15.116 8.677
638 HE2 HIS 74 HE2 HIS 74 5.471 15.565 6.627
Start of MODEL 7
1 H1 MET 1 H1 MET 1 -10.850 -4.493 -11.805
2 H2 MET 1 H2 MET 1 -11.299 -4.521 -13.438
3 H3 MET 1 H3 MET 1 -10.122 -5.601 -12.865
4 HA MET 1 HA MET 1 -12.135 -6.799 -13.143
5 HB2 MET 1 HB2 MET 1 -10.693 -7.209 -11.109
6 HB3 MET 1 HB3 MET 1 -11.804 -6.197 -10.198
7 HG2 MET 1 HG2 MET 1 -12.301 -8.531 -9.842
8 HG3 MET 1 HG3 MET 1 -13.625 -7.750 -10.709
9 HE1 MET 1 HE1 MET 1 -13.565 -11.430 -12.124
10 HE2 MET 1 HE2 MET 1 -14.507 -10.222 -11.250
11 HE3 MET 1 HE3 MET 1 -13.101 -10.964 -10.489
12 H ASN 2 H ASN 2 -12.738 -4.364 -10.590
13 HA ASN 2 HA ASN 2 -15.397 -3.940 -11.792
14 HB2 ASN 2 HB2 ASN 2 -16.232 -3.333 -9.541
15 HB3 ASN 2 HB3 ASN 2 -15.680 -5.002 -9.613
16 HD21 ASN 2 HD21 ASN 2 -14.047 -5.659 -8.334
17 HD22 ASN 2 HD22 ASN 2 -13.254 -4.640 -7.180
18 H GLN 3 H GLN 3 -16.190 -1.783 -11.766
19 HA GLN 3 HA GLN 3 -14.116 0.264 -11.352
20 HB2 GLN 3 HB2 GLN 3 -16.025 0.100 -13.692
21 HB3 GLN 3 HB3 GLN 3 -14.875 1.395 -13.398
22 HG2 GLN 3 HG2 GLN 3 -14.095 -1.470 -13.859
23 HG3 GLN 3 HG3 GLN 3 -14.182 -0.253 -15.128
24 HE21 GLN 3 HE21 GLN 3 -12.035 -0.354 -15.632
25 HE22 GLN 3 HE22 GLN 3 -10.779 0.226 -14.577
26 H ASN 4 H ASN 4 -14.856 2.310 -10.760
27 HA ASN 4 HA ASN 4 -16.248 3.970 -10.057
28 HB2 ASN 4 HB2 ASN 4 -18.475 2.325 -11.289
29 HB3 ASN 4 HB3 ASN 4 -18.574 4.022 -10.817
30 HD21 ASN 4 HD21 ASN 4 -15.832 4.515 -11.698
31 HD22 ASN 4 HD22 ASN 4 -15.884 4.583 -13.413
32 H LEU 5 H LEU 5 -15.740 1.396 -8.668
33 HA LEU 5 HA LEU 5 -17.964 1.285 -6.780
34 HB2 LEU 5 HB2 LEU 5 -16.947 -0.819 -7.586
35 HB3 LEU 5 HB3 LEU 5 -15.415 -0.336 -6.887
36 HG LEU 5 HG LEU 5 -16.407 -0.422 -4.638
37 HD11 LEU 5 HD11 LEU 5 -18.637 -1.416 -4.336
38 HD12 LEU 5 HD12 LEU 5 -18.876 -1.375 -6.082
39 HD13 LEU 5 HD13 LEU 5 -18.700 0.130 -5.181
40 HD21 LEU 5 HD21 LEU 5 -16.816 -2.929 -6.265
41 HD22 LEU 5 HD22 LEU 5 -16.668 -2.853 -4.509
42 HD23 LEU 5 HD23 LEU 5 -15.302 -2.397 -5.529
43 H GLN 6 H GLN 6 -17.915 2.202 -4.827
44 HA GLN 6 HA GLN 6 -15.782 4.039 -4.236
45 HB2 GLN 6 HB2 GLN 6 -18.221 3.335 -2.595
46 HB3 GLN 6 HB3 GLN 6 -17.177 4.731 -2.366
47 HG2 GLN 6 HG2 GLN 6 -17.850 5.636 -4.495
48 HG3 GLN 6 HG3 GLN 6 -18.813 4.201 -4.834
49 HE21 GLN 6 HE21 GLN 6 -20.709 5.318 -5.049
50 HE22 GLN 6 HE22 GLN 6 -21.531 6.053 -3.704
51 H GLY 7 H GLY 7 -14.719 4.105 -2.105
52 HA2 GLY 7 HA2 GLY 7 -13.490 3.118 -0.423
53 HA3 GLY 7 HA3 GLY 7 -14.558 1.718 -0.534
54 H GLU 8 H GLU 8 -12.687 3.151 -3.148
55 HA GLU 8 HA GLU 8 -11.778 0.659 -4.075
56 HB2 GLU 8 HB2 GLU 8 -12.000 2.625 -5.518
57 HB3 GLU 8 HB3 GLU 8 -10.681 3.413 -4.662
58 HG2 GLU 8 HG2 GLU 8 -9.081 2.045 -5.587
59 HG3 GLU 8 HG3 GLU 8 -10.234 0.756 -5.929
60 H TRP 9 H TRP 9 -10.394 2.967 -1.847
61 HA TRP 9 HA TRP 9 -7.819 1.890 -1.603
62 HB2 TRP 9 HB2 TRP 9 -8.289 3.959 -0.505
63 HB3 TRP 9 HB3 TRP 9 -9.620 3.258 0.404
64 HD1 TRP 9 HD1 TRP 9 -8.936 3.293 2.849
65 HE1 TRP 9 HE1 TRP 9 -6.861 2.607 4.205
66 HE3 TRP 9 HE3 TRP 9 -5.820 2.016 -1.004
67 HZ2 TRP 9 HZ2 TRP 9 -4.253 1.645 3.712
68 HZ3 TRP 9 HZ3 TRP 9 -3.557 1.217 -0.475
69 HH2 TRP 9 HH2 TRP 9 -2.788 1.038 1.832
70 H MET 10 H MET 10 -10.811 1.082 0.126
71 HA MET 10 HA MET 10 -9.755 -0.995 1.704
72 HB2 MET 10 HB2 MET 10 -11.936 0.040 2.146
73 HB3 MET 10 HB3 MET 10 -12.571 -0.633 0.653
74 HG2 MET 10 HG2 MET 10 -12.205 -2.893 1.545
75 HG3 MET 10 HG3 MET 10 -11.638 -2.186 3.057
76 HE1 MET 10 HE1 MET 10 -13.586 0.314 3.332
77 HE2 MET 10 HE2 MET 10 -13.229 -0.744 4.699
78 HE3 MET 10 HE3 MET 10 -14.901 -0.350 4.300
79 H LYS 11 H LYS 11 -11.088 -0.914 -1.529
80 HA LYS 11 HA LYS 11 -11.405 -3.626 -2.018
81 HB2 LYS 11 HB2 LYS 11 -12.284 -1.965 -3.528
82 HB3 LYS 11 HB3 LYS 11 -10.670 -1.382 -3.900
83 HG2 LYS 11 HG2 LYS 11 -10.138 -3.407 -5.065
84 HG3 LYS 11 HG3 LYS 11 -11.652 -4.153 -4.551
85 HD2 LYS 11 HD2 LYS 11 -11.790 -3.377 -6.864
86 HD3 LYS 11 HD3 LYS 11 -12.913 -2.494 -5.827
87 HE2 LYS 11 HE2 LYS 11 -11.216 -0.669 -5.674
88 HE3 LYS 11 HE3 LYS 11 -10.246 -1.539 -6.861
89 HZ1 LYS 11 HZ1 LYS 11 -12.012 -1.316 -8.465
90 HZ2 LYS 11 HZ2 LYS 11 -11.622 0.223 -7.861
91 HZ3 LYS 11 HZ3 LYS 11 -13.017 -0.577 -7.325
92 H ASN 12 H ASN 12 -8.557 -1.595 -2.757
93 HA ASN 12 HA ASN 12 -7.008 -3.905 -3.464
94 HB2 ASN 12 HB2 ASN 12 -5.180 -2.408 -3.827
95 HB3 ASN 12 HB3 ASN 12 -6.623 -1.666 -4.492
96 HD21 ASN 12 HD21 ASN 12 -7.328 0.253 -3.675
97 HD22 ASN 12 HD22 ASN 12 -6.476 1.141 -2.463
98 H TYR 13 H TYR 13 -7.598 -2.066 -0.586
99 HA TYR 13 HA TYR 13 -5.327 -2.682 0.909
100 HB2 TYR 13 HB2 TYR 13 -6.922 -1.020 1.676
101 HB3 TYR 13 HB3 TYR 13 -8.168 -2.250 1.856
102 HD1 TYR 13 HD1 TYR 13 -4.737 -1.432 3.092
103 HD2 TYR 13 HD2 TYR 13 -8.524 -3.165 3.952
104 HE1 TYR 13 HE1 TYR 13 -4.041 -1.779 5.424
105 HE2 TYR 13 HE2 TYR 13 -7.842 -3.515 6.289
106 HH TYR 13 HH TYR 13 -5.738 -3.764 7.586
107 H GLU 14 H GLU 14 -8.384 -4.503 0.622
108 HA GLU 14 HA GLU 14 -7.623 -6.499 2.473
109 HB2 GLU 14 HB2 GLU 14 -9.426 -7.866 1.447
110 HB3 GLU 14 HB3 GLU 14 -9.942 -6.252 1.913
111 HG2 GLU 14 HG2 GLU 14 -9.976 -5.514 -0.332
112 HG3 GLU 14 HG3 GLU 14 -9.124 -6.954 -0.889
113 H GLU 15 H GLU 15 -7.106 -6.157 -0.977
114 HA GLU 15 HA GLU 15 -6.100 -8.785 -1.419
115 HB2 GLU 15 HB2 GLU 15 -7.001 -7.281 -3.203
116 HB3 GLU 15 HB3 GLU 15 -5.579 -6.267 -3.015
117 HG2 GLU 15 HG2 GLU 15 -4.153 -8.105 -3.713
118 HG3 GLU 15 HG3 GLU 15 -5.561 -9.156 -3.861
119 H LEU 16 H LEU 16 -4.756 -5.750 -0.402
120 HA LEU 16 HA LEU 16 -2.002 -6.543 -0.751
121 HB2 LEU 16 HB2 LEU 16 -2.667 -4.212 -1.046
122 HB3 LEU 16 HB3 LEU 16 -3.282 -4.160 0.593
123 HG LEU 16 HG LEU 16 -1.035 -4.376 1.485
124 HD11 LEU 16 HD11 LEU 16 0.911 -4.319 -0.008
125 HD12 LEU 16 HD12 LEU 16 -0.163 -4.460 -1.399
126 HD13 LEU 16 HD13 LEU 16 -0.050 -5.779 -0.236
127 HD21 LEU 16 HD21 LEU 16 -1.267 -2.271 -0.657
128 HD22 LEU 16 HD22 LEU 16 -0.158 -2.231 0.715
129 HD23 LEU 16 HD23 LEU 16 -1.898 -2.161 0.988
130 H LYS 17 H LYS 17 -4.299 -6.068 1.834
131 HA LYS 17 HA LYS 17 -2.773 -6.668 4.065
132 HB2 LYS 17 HB2 LYS 17 -5.058 -5.851 4.171
133 HB3 LYS 17 HB3 LYS 17 -5.656 -7.319 3.421
134 HG2 LYS 17 HG2 LYS 17 -4.910 -8.595 5.364
135 HG3 LYS 17 HG3 LYS 17 -4.377 -7.097 6.127
136 HD2 LYS 17 HD2 LYS 17 -6.636 -6.253 6.157
137 HD3 LYS 17 HD3 LYS 17 -7.206 -7.645 5.235
138 HE2 LYS 17 HE2 LYS 17 -5.987 -7.758 7.990
139 HE3 LYS 17 HE3 LYS 17 -7.714 -7.813 7.641
140 HZ1 LYS 17 HZ1 LYS 17 -7.328 -9.846 6.358
141 HZ2 LYS 17 HZ2 LYS 17 -6.857 -10.023 7.975
142 HZ3 LYS 17 HZ3 LYS 17 -5.683 -9.805 6.773
143 H SER 18 H SER 18 -4.491 -8.816 1.847
144 HA SER 18 HA SER 18 -3.713 -11.220 3.151
145 HB2 SER 18 HB2 SER 18 -4.613 -10.846 0.285
146 HB3 SER 18 HB3 SER 18 -4.649 -12.343 1.216
147 HG SER 18 HG SER 18 -6.218 -10.004 1.567
148 H PHE 19 H PHE 19 -2.357 -9.218 0.615
149 HA PHE 19 HA PHE 19 -0.539 -11.186 -0.374
150 HB2 PHE 19 HB2 PHE 19 -1.410 -9.124 -1.606
151 HB3 PHE 19 HB3 PHE 19 -0.231 -8.202 -0.679
152 HD1 PHE 19 HD2 PHE 19 -0.631 -10.907 -3.152
153 HD2 PHE 19 HD1 PHE 19 2.053 -8.178 -1.288
154 HE1 PHE 19 HE2 PHE 19 1.086 -11.458 -4.823
155 HE2 PHE 19 HE1 PHE 19 3.775 -8.729 -2.957
156 HZ PHE 19 HZ PHE 19 3.292 -10.369 -4.726
157 H VAL 20 H VAL 20 -0.226 -8.450 1.865
158 HA VAL 20 HA VAL 20 2.522 -8.841 2.405
159 HB VAL 20 HB VAL 20 0.356 -7.546 4.065
160 HG11 VAL 20 HG11 VAL 20 3.335 -7.567 4.562
161 HG12 VAL 20 HG12 VAL 20 2.117 -8.367 5.555
162 HG13 VAL 20 HG13 VAL 20 2.148 -6.606 5.445
163 HG21 VAL 20 HG21 VAL 20 1.465 -5.481 3.373
164 HG22 VAL 20 HG22 VAL 20 0.922 -6.417 1.981
165 HG23 VAL 20 HG23 VAL 20 2.625 -6.421 2.436
166 H ARG 21 H ARG 21 -0.415 -10.155 3.865
167 HA ARG 21 HA ARG 21 0.827 -11.593 5.939
168 HB2 ARG 21 HB2 ARG 21 -1.612 -11.073 5.715
169 HB3 ARG 21 HB3 ARG 21 -1.711 -12.266 4.433
170 HG2 ARG 21 HG2 ARG 21 -0.613 -13.175 7.021
171 HG3 ARG 21 HG3 ARG 21 -2.334 -12.785 6.965
172 HD2 ARG 21 HD2 ARG 21 -2.701 -14.785 6.084
173 HD3 ARG 21 HD3 ARG 21 -1.815 -14.278 4.654
174 HE ARG 21 HE ARG 21 0.184 -15.218 5.651
175 HH11 ARG 21 HH11 ARG 21 -2.849 -16.157 7.147
176 HH12 ARG 21 HH12 ARG 21 -2.208 -17.633 7.800
177 HH21 ARG 21 HH21 ARG 21 1.023 -17.137 6.516
178 HH22 ARG 21 HH22 ARG 21 -0.006 -18.194 7.440
179 H LYS 22 H LYS 22 0.607 -12.093 2.548
180 HA LYS 22 HA LYS 22 1.102 -14.905 2.533
181 HB2 LYS 22 HB2 LYS 22 0.914 -12.727 0.498
182 HB3 LYS 22 HB3 LYS 22 1.646 -14.250 0.047
183 HG2 LYS 22 HG2 LYS 22 -0.348 -15.437 0.376
184 HG3 LYS 22 HG3 LYS 22 -1.073 -14.112 1.294
185 HD2 LYS 22 HD2 LYS 22 -1.092 -12.731 -0.727
186 HD3 LYS 22 HD3 LYS 22 -0.371 -14.054 -1.642
187 HE2 LYS 22 HE2 LYS 22 -2.974 -14.334 -0.170
188 HE3 LYS 22 HE3 LYS 22 -2.887 -13.762 -1.835
189 HZ1 LYS 22 HZ1 LYS 22 -1.793 -16.360 -0.907
190 HZ2 LYS 22 HZ2 LYS 22 -1.908 -15.816 -2.507
191 HZ3 LYS 22 HZ3 LYS 22 -3.316 -16.169 -1.625
192 H TYR 23 H TYR 23 3.069 -12.188 1.232
193 HA TYR 23 HA TYR 23 5.440 -13.886 1.736
194 HB2 TYR 23 HB2 TYR 23 5.087 -11.971 -0.578
195 HB3 TYR 23 HB3 TYR 23 6.414 -13.098 -0.329
196 HD1 TYR 23 HD1 TYR 23 5.717 -15.636 -0.203
197 HD2 TYR 23 HD2 TYR 23 3.344 -12.573 -1.966
198 HE1 TYR 23 HE1 TYR 23 4.514 -17.331 -1.516
199 HE2 TYR 23 HE2 TYR 23 2.131 -14.261 -3.283
200 HH TYR 23 HH TYR 23 2.492 -16.535 -4.139
201 H ARG 24 H ARG 24 3.947 -10.940 2.311
202 HA ARG 24 HA ARG 24 4.535 -8.967 3.212
203 HB2 ARG 24 HB2 ARG 24 7.000 -10.526 3.860
204 HB3 ARG 24 HB3 ARG 24 7.028 -8.776 4.042
205 HG2 ARG 24 HG2 ARG 24 6.440 -9.601 6.151
206 HG3 ARG 24 HG3 ARG 24 4.924 -9.041 5.441
207 HD2 ARG 24 HD2 ARG 24 4.215 -11.048 6.156
208 HD3 ARG 24 HD3 ARG 24 4.854 -11.553 4.597
209 HE ARG 24 HE ARG 24 6.733 -11.681 6.806
210 HH11 ARG 24 HH11 ARG 24 4.404 -13.388 4.826
211 HH12 ARG 24 HH12 ARG 24 4.995 -14.965 5.251
212 HH21 ARG 24 HH21 ARG 24 7.492 -13.765 7.399
213 HH22 ARG 24 HH22 ARG 24 6.732 -15.179 6.729
214 H ARG 25 H ARG 25 4.490 -7.445 1.838
215 HA ARG 25 HA ARG 25 5.150 -5.819 0.394
216 HB2 ARG 25 HB2 ARG 25 7.277 -5.991 1.701
217 HB3 ARG 25 HB3 ARG 25 7.863 -7.135 0.511
218 HG2 ARG 25 HG2 ARG 25 7.874 -5.454 -1.188
219 HG3 ARG 25 HG3 ARG 25 7.092 -4.298 -0.100
220 HD2 ARG 25 HD2 ARG 25 8.965 -4.160 1.283
221 HD3 ARG 25 HD3 ARG 25 9.672 -5.624 0.609
222 HE ARG 25 HE ARG 25 9.434 -3.139 -0.962
223 HH11 ARG 25 HH11 ARG 25 11.277 -5.839 0.263
224 HH12 ARG 25 HH12 ARG 25 12.713 -5.447 -0.649
225 HH21 ARG 25 HH21 ARG 25 11.329 -2.613 -2.172
226 HH22 ARG 25 HH22 ARG 25 12.740 -3.620 -2.024
227 H PHE 26 H PHE 26 6.400 -5.721 -1.943
228 HA PHE 26 HA PHE 26 5.318 -8.011 -3.433
229 HB2 PHE 26 HB2 PHE 26 6.175 -5.432 -4.707
230 HB3 PHE 26 HB3 PHE 26 4.994 -6.605 -5.272
231 HD1 PHE 26 HD2 PHE 26 2.741 -6.650 -4.313
232 HD2 PHE 26 HD1 PHE 26 5.596 -3.700 -3.203
233 HE1 PHE 26 HE2 PHE 26 0.941 -5.263 -3.372
234 HE2 PHE 26 HE1 PHE 26 3.805 -2.310 -2.261
235 HZ PHE 26 HZ PHE 26 1.480 -3.090 -2.349
236 HA PRO 27 HA PRO 27 9.852 -8.643 -4.133
237 HB2 PRO 27 HB2 PRO 27 9.056 -11.463 -4.231
238 HB3 PRO 27 HB3 PRO 27 10.282 -10.689 -3.225
239 HG2 PRO 27 HG2 PRO 27 7.980 -11.640 -2.197
240 HG3 PRO 27 HG3 PRO 27 8.785 -10.202 -1.541
241 HD2 PRO 27 HD2 PRO 27 6.425 -10.380 -3.379
242 HD3 PRO 27 HD3 PRO 27 6.689 -9.307 -1.985
243 H LYS 28 H LYS 28 6.924 -9.950 -5.497
244 HA LYS 28 HA LYS 28 8.126 -10.459 -8.087
245 HB2 LYS 28 HB2 LYS 28 5.657 -11.027 -8.642
246 HB3 LYS 28 HB3 LYS 28 6.550 -12.101 -7.573
247 HG2 LYS 28 HG2 LYS 28 5.461 -11.261 -5.657
248 HG3 LYS 28 HG3 LYS 28 4.796 -9.891 -6.543
249 HD2 LYS 28 HD2 LYS 28 3.050 -11.487 -6.156
250 HD3 LYS 28 HD3 LYS 28 3.433 -11.473 -7.873
251 HE2 LYS 28 HE2 LYS 28 4.697 -13.475 -6.036
252 HE3 LYS 28 HE3 LYS 28 3.074 -13.736 -6.672
253 HZ1 LYS 28 HZ1 LYS 28 4.105 -13.354 -8.934
254 HZ2 LYS 28 HZ2 LYS 28 4.501 -14.808 -8.153
255 HZ3 LYS 28 HZ3 LYS 28 5.617 -13.534 -8.175
256 H SER 29 H SER 29 5.361 -8.539 -6.912
257 HA SER 29 HA SER 29 4.392 -6.616 -7.610
258 HB2 SER 29 HB2 SER 29 6.944 -6.180 -9.185
259 HB3 SER 29 HB3 SER 29 5.696 -4.969 -8.893
260 HG SER 29 HG SER 29 7.344 -6.245 -6.964
261 H THR 30 H THR 30 3.773 -5.416 -9.771
262 HA THR 30 HA THR 30 2.661 -5.458 -11.721
263 HB THR 30 HB THR 30 4.222 -7.765 -12.759
264 HG1 THR 30 HG1 THR 30 5.375 -5.215 -12.129
265 HG21 THR 30 HG21 THR 30 3.581 -4.984 -13.729
266 HG22 THR 30 HG22 THR 30 2.779 -6.476 -14.225
267 HG23 THR 30 HG23 THR 30 4.465 -6.193 -14.660
268 H GLU 31 H GLU 31 1.445 -6.998 -9.660
269 HA GLU 31 HA GLU 31 -0.105 -8.815 -11.334
270 HB2 GLU 31 HB2 GLU 31 1.259 -9.591 -8.769
271 HB3 GLU 31 HB3 GLU 31 -0.176 -10.432 -9.336
272 HG2 GLU 31 HG2 GLU 31 1.007 -10.965 -11.435
273 HG3 GLU 31 HG3 GLU 31 2.454 -10.197 -10.785
274 H GLY 32 H GLY 32 -2.249 -8.879 -10.868
275 HA2 GLY 32 HA2 GLY 32 -4.255 -8.471 -9.842
276 HA3 GLY 32 HA3 GLY 32 -3.373 -8.280 -8.337
277 H ASN 33 H ASN 33 -5.012 -6.634 -7.925
278 HA ASN 33 HA ASN 33 -5.007 -4.193 -9.412
279 HB2 ASN 33 HB2 ASN 33 -5.920 -4.783 -6.583
280 HB3 ASN 33 HB3 ASN 33 -6.175 -3.252 -7.409
281 HD21 ASN 33 HD21 ASN 33 -7.180 -6.527 -7.062
282 HD22 ASN 33 HD22 ASN 33 -8.568 -6.427 -8.097
283 H LEU 34 H LEU 34 -3.086 -5.611 -6.968
284 HA LEU 34 HA LEU 34 -1.850 -3.317 -5.893
285 HB2 LEU 34 HB2 LEU 34 -0.830 -6.144 -6.142
286 HB3 LEU 34 HB3 LEU 34 -0.105 -4.895 -5.151
287 HG LEU 34 HG LEU 34 -2.867 -6.057 -4.789
288 HD11 LEU 34 HD11 LEU 34 -1.102 -7.591 -4.136
289 HD12 LEU 34 HD12 LEU 34 -1.952 -6.974 -2.717
290 HD13 LEU 34 HD13 LEU 34 -0.361 -6.336 -3.141
291 HD21 LEU 34 HD21 LEU 34 -2.789 -3.691 -4.181
292 HD22 LEU 34 HD22 LEU 34 -1.397 -3.999 -3.143
293 HD23 LEU 34 HD23 LEU 34 -2.961 -4.714 -2.755
294 H GLY 35 H GLY 35 -1.199 -5.257 -8.746
295 HA2 GLY 35 HA2 GLY 35 1.254 -4.265 -9.544
296 HA3 GLY 35 HA3 GLY 35 -0.044 -4.690 -10.651
297 H GLY 36 H GLY 36 -1.931 -2.756 -9.927
298 HA2 GLY 36 HA2 GLY 36 -0.810 -0.410 -11.197
299 HA3 GLY 36 HA3 GLY 36 -2.484 -0.633 -10.708
300 H TRP 37 H TRP 37 -1.809 -1.400 -8.026
301 HA TRP 37 HA TRP 37 -1.989 0.990 -6.634
302 HB2 TRP 37 HB2 TRP 37 -2.459 -1.363 -5.830
303 HB3 TRP 37 HB3 TRP 37 -0.725 -1.541 -5.585
304 HD1 TRP 37 HD1 TRP 37 -3.621 0.701 -4.395
305 HE1 TRP 37 HE1 TRP 37 -3.106 1.459 -2.011
306 HE3 TRP 37 HE3 TRP 37 1.022 -1.356 -3.873
307 HZ2 TRP 37 HZ2 TRP 37 -1.016 1.227 -0.130
308 HZ3 TRP 37 HZ3 TRP 37 2.217 -1.031 -1.746
309 HH2 TRP 37 HH2 TRP 37 1.216 0.234 0.083
310 H CYS 38 H CYS 38 0.888 -1.081 -7.017
311 HA CYS 38 HA CYS 38 2.609 0.670 -5.623
312 HB2 CYS 38 HB2 CYS 38 4.424 -0.766 -6.660
313 HB3 CYS 38 HB3 CYS 38 3.218 -1.615 -5.701
314 HG CYS 38 HG CYS 38 1.874 -2.732 -7.794
315 H HIS 39 H HIS 39 1.686 0.443 -8.986
316 HA HIS 39 HA HIS 39 3.856 1.915 -10.060
317 HB2 HIS 39 HB2 HIS 39 1.211 1.017 -11.051
318 HB3 HIS 39 HB3 HIS 39 1.949 2.375 -11.891
319 HD1 HIS 39 HD1 HIS 39 2.109 -1.286 -11.551
320 HD2 HIS 39 HD2 HIS 39 4.467 1.755 -13.129
321 HE1 HIS 39 HE1 HIS 39 3.771 -2.425 -13.055
322 HE2 HIS 39 HE2 HIS 39 5.059 -0.551 -14.145
323 H THR 40 H THR 40 0.719 2.882 -8.780
324 HA THR 40 HA THR 40 0.905 5.604 -9.626
325 HB THR 40 HB THR 40 -0.726 4.507 -7.322
326 HG1 THR 40 HG1 THR 40 -1.174 4.451 -10.135
327 HG21 THR 40 HG21 THR 40 -2.255 6.344 -7.869
328 HG22 THR 40 HG22 THR 40 -1.160 6.879 -9.142
329 HG23 THR 40 HG23 THR 40 -0.652 6.948 -7.455
330 H GLN 41 H GLN 41 1.614 3.914 -6.592
331 HA GLN 41 HA GLN 41 2.356 6.363 -5.283
332 HB2 GLN 41 HB2 GLN 41 2.303 3.491 -4.442
333 HB3 GLN 41 HB3 GLN 41 3.031 4.737 -3.426
334 HG2 GLN 41 HG2 GLN 41 1.042 5.745 -2.984
335 HG3 GLN 41 HG3 GLN 41 0.325 5.248 -4.516
336 HE21 GLN 41 HE21 GLN 41 -0.568 3.239 -4.705
337 HE22 GLN 41 HE22 GLN 41 -0.992 2.291 -3.333
338 H ARG 42 H ARG 42 3.904 4.165 -7.294
339 HA ARG 42 HA ARG 42 6.580 4.282 -6.549
340 HB2 ARG 42 HB2 ARG 42 5.537 3.018 -8.480
341 HB3 ARG 42 HB3 ARG 42 5.497 4.533 -9.364
342 HG2 ARG 42 HG2 ARG 42 7.380 3.305 -10.107
343 HG3 ARG 42 HG3 ARG 42 7.979 4.644 -9.127
344 HD2 ARG 42 HD2 ARG 42 8.643 3.275 -7.411
345 HD3 ARG 42 HD3 ARG 42 7.463 2.025 -7.810
346 HE ARG 42 HE ARG 42 8.909 1.535 -9.786
347 HH11 ARG 42 HH11 ARG 42 10.259 3.077 -6.947
348 HH12 ARG 42 HH12 ARG 42 11.861 2.484 -7.221
349 HH21 ARG 42 HH21 ARG 42 11.018 0.722 -10.148
350 HH22 ARG 42 HH22 ARG 42 12.291 1.137 -9.046
351 H LYS 43 H LYS 43 4.458 6.648 -7.899
352 HA LYS 43 HA LYS 43 6.537 8.603 -8.405
353 HB2 LYS 43 HB2 LYS 43 4.787 8.656 -9.987
354 HB3 LYS 43 HB3 LYS 43 3.543 8.537 -8.746
355 HG2 LYS 43 HG2 LYS 43 4.231 10.813 -7.964
356 HG3 LYS 43 HG3 LYS 43 5.271 10.917 -9.387
357 HD2 LYS 43 HD2 LYS 43 3.412 10.808 -10.860
358 HD3 LYS 43 HD3 LYS 43 2.320 10.347 -9.549
359 HE2 LYS 43 HE2 LYS 43 2.559 12.507 -8.524
360 HE3 LYS 43 HE3 LYS 43 3.784 12.968 -9.698
361 HZ1 LYS 43 HZ1 LYS 43 1.689 13.947 -10.290
362 HZ2 LYS 43 HZ2 LYS 43 0.909 12.449 -10.242
363 HZ3 LYS 43 HZ3 LYS 43 2.060 12.765 -11.442
364 H MET 44 H MET 44 3.622 8.426 -6.371
365 HA MET 44 HA MET 44 3.875 10.878 -5.112
366 HB2 MET 44 HB2 MET 44 2.682 8.492 -3.726
367 HB3 MET 44 HB3 MET 44 2.167 10.171 -3.660
368 HG2 MET 44 HG2 MET 44 1.857 8.261 -5.955
369 HG3 MET 44 HG3 MET 44 0.582 8.905 -4.923
370 HE1 MET 44 HE1 MET 44 -0.595 9.375 -7.352
371 HE2 MET 44 HE2 MET 44 0.879 8.867 -8.177
372 HE3 MET 44 HE3 MET 44 0.135 10.417 -8.574
373 H ARG 45 H ARG 45 5.351 7.813 -4.333
374 HA ARG 45 HA ARG 45 5.924 8.252 -1.638
375 HB2 ARG 45 HB2 ARG 45 6.140 6.094 -2.949
376 HB3 ARG 45 HB3 ARG 45 7.665 6.696 -3.556
377 HG2 ARG 45 HG2 ARG 45 7.092 6.344 -0.626
378 HG3 ARG 45 HG3 ARG 45 7.789 5.079 -1.633
379 HD2 ARG 45 HD2 ARG 45 8.991 7.814 -1.220
380 HD3 ARG 45 HD3 ARG 45 9.468 6.363 -0.342
381 HE ARG 45 HE ARG 45 9.673 5.867 -3.095
382 HH11 ARG 45 HH11 ARG 45 11.180 7.813 -0.609
383 HH12 ARG 45 HH12 ARG 45 12.756 7.783 -1.356
384 HH21 ARG 45 HH21 ARG 45 11.754 5.823 -4.094
385 HH22 ARG 45 HH22 ARG 45 13.087 6.626 -3.319
386 H LYS 46 H LYS 46 7.930 8.977 -4.492
387 HA LYS 46 HA LYS 46 10.036 10.003 -2.822
388 HB2 LYS 46 HB2 LYS 46 11.281 10.268 -4.843
389 HB3 LYS 46 HB3 LYS 46 10.463 8.721 -4.916
390 HG2 LYS 46 HG2 LYS 46 8.755 9.713 -6.375
391 HG3 LYS 46 HG3 LYS 46 9.627 11.248 -6.323
392 HD2 LYS 46 HD2 LYS 46 11.630 10.033 -7.227
393 HD3 LYS 46 HD3 LYS 46 10.588 8.630 -7.471
394 HE2 LYS 46 HE2 LYS 46 9.133 10.011 -8.911
395 HE3 LYS 46 HE3 LYS 46 10.256 11.356 -8.715
396 HZ1 LYS 46 HZ1 LYS 46 10.795 10.309 -10.744
397 HZ2 LYS 46 HZ2 LYS 46 10.747 8.764 -10.060
398 HZ3 LYS 46 HZ3 LYS 46 11.998 9.828 -9.649
399 H GLN 47 H GLN 47 7.240 11.240 -4.277
400 HA GLN 47 HA GLN 47 8.294 13.967 -4.324
401 HB2 GLN 47 HB2 GLN 47 5.985 12.596 -5.611
402 HB3 GLN 47 HB3 GLN 47 5.848 14.318 -5.293
403 HG2 GLN 47 HG2 GLN 47 7.861 14.734 -6.583
404 HG3 GLN 47 HG3 GLN 47 8.060 13.006 -6.853
405 HE21 GLN 47 HE21 GLN 47 8.018 13.322 -9.076
406 HE22 GLN 47 HE22 GLN 47 6.547 13.658 -9.934
407 H GLY 48 H GLY 48 7.046 12.036 -2.079
408 HA2 GLY 48 HA2 GLY 48 6.082 12.422 -0.028
409 HA3 GLY 48 HA3 GLY 48 6.375 14.131 -0.316
410 H LYS 49 H LYS 49 4.461 12.216 -2.486
411 HA LYS 49 HA LYS 49 2.126 13.873 -1.833
412 HB2 LYS 49 HB2 LYS 49 2.616 12.109 -4.241
413 HB3 LYS 49 HB3 LYS 49 1.265 13.208 -4.021
414 HG2 LYS 49 HG2 LYS 49 4.087 14.210 -4.025
415 HG3 LYS 49 HG3 LYS 49 3.211 13.927 -5.527
416 HD2 LYS 49 HD2 LYS 49 2.941 16.219 -5.000
417 HD3 LYS 49 HD3 LYS 49 1.406 15.432 -4.642
418 HE2 LYS 49 HE2 LYS 49 1.966 15.396 -2.268
419 HE3 LYS 49 HE3 LYS 49 3.528 16.141 -2.615
420 HZ1 LYS 49 HZ1 LYS 49 0.899 17.392 -3.211
421 HZ2 LYS 49 HZ2 LYS 49 2.426 18.109 -3.381
422 HZ3 LYS 49 HZ3 LYS 49 1.838 17.731 -1.836
423 H LEU 50 H LEU 50 3.412 10.914 -1.200
424 HA LEU 50 HA LEU 50 1.241 9.138 -1.365
425 HB2 LEU 50 HB2 LEU 50 3.909 9.249 -0.291
426 HB3 LEU 50 HB3 LEU 50 2.847 8.463 0.860
427 HG LEU 50 HG LEU 50 3.326 7.615 -1.997
428 HD11 LEU 50 HD11 LEU 50 4.440 5.696 -0.988
429 HD12 LEU 50 HD12 LEU 50 4.163 6.370 0.619
430 HD13 LEU 50 HD13 LEU 50 5.223 7.205 -0.519
431 HD21 LEU 50 HD21 LEU 50 2.037 5.634 -1.426
432 HD22 LEU 50 HD22 LEU 50 1.058 7.095 -1.281
433 HD23 LEU 50 HD23 LEU 50 1.690 6.310 0.167
434 HA PRO 51 HA PRO 51 -1.251 10.659 2.039
435 HB2 PRO 51 HB2 PRO 51 -2.935 8.568 2.309
436 HB3 PRO 51 HB3 PRO 51 -3.027 9.687 0.946
437 HG2 PRO 51 HG2 PRO 51 -1.790 6.970 1.085
438 HG3 PRO 51 HG3 PRO 51 -2.786 7.682 -0.198
439 HD2 PRO 51 HD2 PRO 51 -0.069 7.537 -0.315
440 HD3 PRO 51 HD3 PRO 51 -1.011 8.807 -1.114
441 H ASN 52 H ASN 52 -1.690 10.294 4.210
442 HA ASN 52 HA ASN 52 0.476 9.078 5.606
443 HB2 ASN 52 HB2 ASN 52 -2.042 10.417 6.595
444 HB3 ASN 52 HB3 ASN 52 -0.755 9.851 7.654
445 HD21 ASN 52 HD21 ASN 52 1.233 10.918 7.643
446 HD22 ASN 52 HD22 ASN 52 1.418 12.495 6.956
447 H ASP 53 H ASP 53 -3.041 8.436 5.619
448 HA ASP 53 HA ASP 53 -3.030 6.381 7.505
449 HB2 ASP 53 HB2 ASP 53 -4.859 6.674 5.119
450 HB3 ASP 53 HB3 ASP 53 -5.158 5.623 6.493
451 H ARG 54 H ARG 54 -2.352 6.318 4.095
452 HA ARG 54 HA ARG 54 -2.531 3.594 3.571
453 HB2 ARG 54 HB2 ARG 54 -2.147 5.583 1.973
454 HB3 ARG 54 HB3 ARG 54 -0.443 5.405 2.355
455 HG2 ARG 54 HG2 ARG 54 -2.130 3.189 1.216
456 HG3 ARG 54 HG3 ARG 54 -1.201 4.317 0.231
457 HD2 ARG 54 HD2 ARG 54 -0.103 2.425 2.305
458 HD3 ARG 54 HD3 ARG 54 0.018 2.241 0.557
459 HE ARG 54 HE ARG 54 1.125 4.713 1.355
460 HH11 ARG 54 HH11 ARG 54 1.759 1.280 1.373
461 HH12 ARG 54 HH12 ARG 54 3.481 1.457 1.417
462 HH21 ARG 54 HH21 ARG 54 3.405 4.970 1.416
463 HH22 ARG 54 HH22 ARG 54 4.420 3.566 1.438
464 H ARG 55 H ARG 55 0.186 5.501 4.870
465 HA ARG 55 HA ARG 55 2.016 3.329 4.883
466 HB2 ARG 55 HB2 ARG 55 2.811 5.651 5.066
467 HB3 ARG 55 HB3 ARG 55 2.025 5.796 6.638
468 HG2 ARG 55 HG2 ARG 55 3.449 3.729 7.267
469 HG3 ARG 55 HG3 ARG 55 4.413 4.177 5.862
470 HD2 ARG 55 HD2 ARG 55 4.726 6.417 6.852
471 HD3 ARG 55 HD3 ARG 55 3.848 5.881 8.282
472 HE ARG 55 HE ARG 55 5.630 4.129 8.487
473 HH11 ARG 55 HH11 ARG 55 6.274 7.258 7.028
474 HH12 ARG 55 HH12 ARG 55 7.995 7.123 7.224
475 HH21 ARG 55 HH21 ARG 55 7.892 3.958 8.725
476 HH22 ARG 55 HH22 ARG 55 8.914 5.256 8.166
477 H LEU 56 H LEU 56 -0.160 4.683 7.324
478 HA LEU 56 HA LEU 56 0.903 3.167 9.448
479 HB2 LEU 56 HB2 LEU 56 -1.597 4.769 9.061
480 HB3 LEU 56 HB3 LEU 56 -1.418 3.769 10.486
481 HG LEU 56 HG LEU 56 -0.769 5.998 11.056
482 HD11 LEU 56 HD11 LEU 56 1.557 5.652 11.765
483 HD12 LEU 56 HD12 LEU 56 1.655 4.243 10.711
484 HD13 LEU 56 HD13 LEU 56 0.544 4.242 12.079
485 HD21 LEU 56 HD21 LEU 56 1.046 7.177 9.923
486 HD22 LEU 56 HD22 LEU 56 -0.288 6.842 8.819
487 HD23 LEU 56 HD23 LEU 56 1.175 5.861 8.756
488 H LEU 57 H LEU 57 -1.836 2.679 7.274
489 HA LEU 57 HA LEU 57 -2.805 0.330 8.521
490 HB2 LEU 57 HB2 LEU 57 -3.250 1.723 5.949
491 HB3 LEU 57 HB3 LEU 57 -3.647 0.018 5.980
492 HG LEU 57 HG LEU 57 -5.147 0.433 7.917
493 HD11 LEU 57 HD11 LEU 57 -5.793 2.740 8.436
494 HD12 LEU 57 HD12 LEU 57 -4.510 3.329 7.379
495 HD13 LEU 57 HD13 LEU 57 -4.106 2.415 8.833
496 HD21 LEU 57 HD21 LEU 57 -6.034 0.366 5.650
497 HD22 LEU 57 HD22 LEU 57 -5.727 2.093 5.469
498 HD23 LEU 57 HD23 LEU 57 -6.916 1.528 6.643
499 H LEU 58 H LEU 58 -0.425 0.885 5.975
500 HA LEU 58 HA LEU 58 0.025 -1.850 5.376
501 HB2 LEU 58 HB2 LEU 58 1.393 0.718 4.825
502 HB3 LEU 58 HB3 LEU 58 2.398 -0.717 4.767
503 HG LEU 58 HG LEU 58 1.502 -0.025 2.553
504 HD11 LEU 58 HD11 LEU 58 0.576 -2.706 3.568
505 HD12 LEU 58 HD12 LEU 58 2.176 -2.322 2.933
506 HD13 LEU 58 HD13 LEU 58 0.767 -2.260 1.872
507 HD21 LEU 58 HD21 LEU 58 -0.842 -0.434 2.037
508 HD22 LEU 58 HD22 LEU 58 -0.676 0.805 3.282
509 HD23 LEU 58 HD23 LEU 58 -1.155 -0.835 3.725
510 H ASP 59 H ASP 59 1.357 0.376 7.731
511 HA ASP 59 HA ASP 59 3.432 -1.263 8.705
512 HB2 ASP 59 HB2 ASP 59 3.287 1.136 9.201
513 HB3 ASP 59 HB3 ASP 59 1.821 0.865 10.136
514 H LYS 60 H LYS 60 0.006 -1.056 9.457
515 HA LYS 60 HA LYS 60 0.127 -2.654 11.801
516 HB2 LYS 60 HB2 LYS 60 -1.926 -1.321 10.197
517 HB3 LYS 60 HB3 LYS 60 -2.472 -2.805 10.960
518 HG2 LYS 60 HG2 LYS 60 -2.934 -0.867 12.353
519 HG3 LYS 60 HG3 LYS 60 -1.794 -1.958 13.141
520 HD2 LYS 60 HD2 LYS 60 0.062 -0.504 12.398
521 HD3 LYS 60 HD3 LYS 60 -1.118 0.600 11.686
522 HE2 LYS 60 HE2 LYS 60 -1.017 -0.153 14.607
523 HE3 LYS 60 HE3 LYS 60 -0.305 1.308 13.925
524 HZ1 LYS 60 HZ1 LYS 60 -2.570 1.563 14.935
525 HZ2 LYS 60 HZ2 LYS 60 -3.184 0.651 13.641
526 HZ3 LYS 60 HZ3 LYS 60 -2.416 2.135 13.346
527 H ILE 61 H ILE 61 -0.367 -3.384 8.395
528 HA ILE 61 HA ILE 61 -1.117 -6.112 9.003
529 HB ILE 61 HB ILE 61 -1.055 -6.483 6.548
530 HG12 ILE 61 HG12 ILE 61 -0.461 -3.515 6.434
531 HG13 ILE 61 HG13 ILE 61 0.638 -4.802 5.949
532 HG21 ILE 61 HG21 ILE 61 -3.045 -5.140 6.064
533 HG22 ILE 61 HG22 ILE 61 -2.716 -4.149 7.484
534 HG23 ILE 61 HG23 ILE 61 -3.112 -5.857 7.674
535 HD11 ILE 61 HD11 ILE 61 -2.001 -4.137 4.664
536 HD12 ILE 61 HD12 ILE 61 -0.932 -5.456 4.183
537 HD13 ILE 61 HD13 ILE 61 -0.399 -3.782 4.018
538 H GLY 62 H GLY 62 1.767 -4.369 8.646
539 HA2 GLY 62 HA2 GLY 62 3.781 -5.358 9.447
540 HA3 GLY 62 HA3 GLY 62 3.214 -6.913 8.864
541 H PHE 63 H PHE 63 3.184 -3.943 6.980
542 HA PHE 63 HA PHE 63 4.697 -5.171 4.878
543 HB2 PHE 63 HB2 PHE 63 2.916 -3.516 4.432
544 HB3 PHE 63 HB3 PHE 63 3.863 -2.284 5.254
545 HD1 PHE 63 HD1 PHE 63 3.732 -4.474 2.290
546 HD2 PHE 63 HD2 PHE 63 5.586 -1.120 4.139
547 HE1 PHE 63 HE1 PHE 63 4.806 -3.897 0.157
548 HE2 PHE 63 HE2 PHE 63 6.668 -0.537 2.006
549 HZ PHE 63 HZ PHE 63 6.278 -1.928 0.009
550 H VAL 64 H VAL 64 6.810 -5.175 4.591
551 HA VAL 64 HA VAL 64 8.475 -3.843 6.541
552 HB VAL 64 HB VAL 64 8.847 -6.215 6.035
553 HG11 VAL 64 HG11 VAL 64 9.640 -5.272 3.284
554 HG12 VAL 64 HG12 VAL 64 8.216 -6.232 3.685
555 HG13 VAL 64 HG13 VAL 64 9.829 -6.913 3.905
556 HG21 VAL 64 HG21 VAL 64 10.699 -4.870 6.859
557 HG22 VAL 64 HG22 VAL 64 11.138 -4.443 5.206
558 HG23 VAL 64 HG23 VAL 64 11.272 -6.115 5.750
559 H TRP 65 H TRP 65 9.811 -2.180 6.150
560 HA TRP 65 HA TRP 65 9.576 -0.899 3.516
561 HB2 TRP 65 HB2 TRP 65 10.409 0.254 6.184
562 HB3 TRP 65 HB3 TRP 65 10.200 1.164 4.693
563 HD1 TRP 65 HD1 TRP 65 8.242 -0.392 7.549
564 HE1 TRP 65 HE1 TRP 65 5.781 0.335 7.385
565 HE3 TRP 65 HE3 TRP 65 8.368 1.856 2.958
566 HZ2 TRP 65 HZ2 TRP 65 4.113 1.681 5.552
567 HZ3 TRP 65 HZ3 TRP 65 6.298 2.839 2.074
568 HH2 TRP 65 HH2 TRP 65 4.214 2.756 3.343
569 H SER 66 H SER 66 11.401 -3.037 3.834
570 HA SER 66 HA SER 66 14.040 -1.877 4.106
571 HB2 SER 66 HB2 SER 66 14.788 -4.219 3.567
572 HB3 SER 66 HB3 SER 66 13.741 -4.099 4.983
573 HG SER 66 HG SER 66 12.789 -4.703 2.378
574 H LEU 67 H LEU 67 14.789 -0.686 2.457
575 HA LEU 67 HA LEU 67 14.038 -1.379 -0.277
576 HB2 LEU 67 HB2 LEU 67 15.409 1.006 0.935
577 HB3 LEU 67 HB3 LEU 67 15.417 0.734 -0.795
578 HG LEU 67 HG LEU 67 12.882 0.738 -0.683
579 HD11 LEU 67 HD11 LEU 67 13.419 1.888 2.051
580 HD12 LEU 67 HD12 LEU 67 12.630 0.348 1.709
581 HD13 LEU 67 HD13 LEU 67 11.860 1.859 1.228
582 HD21 LEU 67 HD21 LEU 67 14.372 3.241 0.088
583 HD22 LEU 67 HD22 LEU 67 12.768 3.184 -0.642
584 HD23 LEU 67 HD23 LEU 67 14.168 2.609 -1.545
585 H GLU 68 H GLU 68 15.215 -3.094 -0.940
586 HA GLU 68 HA GLU 68 18.117 -3.021 -0.583
587 HB2 GLU 68 HB2 GLU 68 18.154 -5.311 -1.253
588 HB3 GLU 68 HB3 GLU 68 16.808 -5.135 -0.141
589 HG2 GLU 68 HG2 GLU 68 16.519 -5.137 -3.134
590 HG3 GLU 68 HG3 GLU 68 16.363 -6.571 -2.124
591 H HIS 69 H HIS 69 15.620 -2.720 -2.978
592 HA HIS 69 HA HIS 69 17.424 -2.681 -5.220
593 HB2 HIS 69 HB2 HIS 69 14.487 -2.043 -4.926
594 HB3 HIS 69 HB3 HIS 69 15.353 -1.825 -6.442
595 HD1 HIS 69 HD1 HIS 69 14.178 -4.503 -4.079
596 HD2 HIS 69 HD2 HIS 69 15.819 -4.147 -7.884
597 HE1 HIS 69 HE1 HIS 69 13.946 -6.774 -5.133
598 HE2 HIS 69 HE2 HIS 69 14.748 -6.477 -7.504
599 H HIS 70 H HIS 70 18.846 -1.068 -5.265
600 HA HIS 70 HA HIS 70 17.856 1.671 -4.807
601 HB2 HIS 70 HB2 HIS 70 20.689 0.609 -4.684
602 HB3 HIS 70 HB3 HIS 70 20.224 2.290 -4.437
603 HD1 HIS 70 HD1 HIS 70 18.562 2.673 -2.298
604 HD2 HIS 70 HD2 HIS 70 20.717 -0.883 -2.412
605 HE1 HIS 70 HE1 HIS 70 18.509 1.770 0.047
606 HE2 HIS 70 HE2 HIS 70 19.772 -0.410 -0.050
607 H HIS 71 H HIS 71 19.848 3.080 -6.119
608 HA HIS 71 HA HIS 71 19.681 2.085 -8.876
609 HB2 HIS 71 HB2 HIS 71 18.942 4.842 -7.907
610 HB3 HIS 71 HB3 HIS 71 19.316 4.496 -9.591
611 HD1 HIS 71 HD1 HIS 71 17.755 2.297 -10.486
612 HD2 HIS 71 HD2 HIS 71 16.301 4.751 -7.460
613 HE1 HIS 71 HE1 HIS 71 15.268 1.943 -10.459
614 HE2 HIS 71 HE2 HIS 71 14.400 3.647 -8.825
615 H HIS 72 H HIS 72 21.680 1.774 -9.528
616 HA HIS 72 HA HIS 72 23.717 3.786 -8.913
617 HB2 HIS 72 HB2 HIS 72 23.801 1.013 -10.041
618 HB3 HIS 72 HB3 HIS 72 25.085 2.138 -10.472
619 HD1 HIS 72 HD1 HIS 72 24.284 -0.334 -8.018
620 HD2 HIS 72 HD2 HIS 72 26.279 3.319 -7.998
621 HE1 HIS 72 HE1 HIS 72 25.664 -0.321 -5.912
622 HE2 HIS 72 HE2 HIS 72 26.957 1.845 -5.981
623 H HIS 73 H HIS 73 24.287 5.310 -10.351
624 HA HIS 73 HA HIS 73 22.473 5.785 -12.491
625 HB2 HIS 73 HB2 HIS 73 23.593 7.583 -11.124
626 HB3 HIS 73 HB3 HIS 73 25.088 7.217 -11.983
627 HD1 HIS 73 HD1 HIS 73 24.918 7.536 -14.699
628 HD2 HIS 73 HD2 HIS 73 21.995 9.382 -12.380
629 HE1 HIS 73 HE1 HIS 73 23.858 9.255 -16.186
630 HE2 HIS 73 HE2 HIS 73 22.219 10.475 -14.717
631 H HIS 74 H HIS 74 22.558 5.041 -14.471
632 HA HIS 74 HA HIS 74 25.026 3.895 -15.501
633 HB2 HIS 74 HB2 HIS 74 22.246 4.048 -16.695
634 HB3 HIS 74 HB3 HIS 74 23.612 3.224 -17.437
635 HD1 HIS 74 HD1 HIS 74 21.349 3.002 -14.418
636 HD2 HIS 74 HD2 HIS 74 24.060 0.661 -16.529
637 HE1 HIS 74 HE1 HIS 74 21.128 0.685 -13.467
638 HE2 HIS 74 HE2 HIS 74 22.636 -0.749 -14.891
Start of MODEL 8
1 H1 MET 1 H1 MET 1 -13.625 -10.190 -5.938
2 H2 MET 1 H2 MET 1 -14.494 -11.549 -6.463
3 H3 MET 1 H3 MET 1 -14.831 -10.858 -4.954
4 HA MET 1 HA MET 1 -16.526 -10.246 -6.535
5 HB2 MET 1 HB2 MET 1 -15.242 -8.564 -4.835
6 HB3 MET 1 HB3 MET 1 -14.986 -7.717 -6.355
7 HG2 MET 1 HG2 MET 1 -17.627 -8.490 -5.136
8 HG3 MET 1 HG3 MET 1 -16.950 -6.868 -5.261
9 HE1 MET 1 HE1 MET 1 -19.227 -5.999 -6.337
10 HE2 MET 1 HE2 MET 1 -19.901 -7.623 -6.201
11 HE3 MET 1 HE3 MET 1 -19.996 -6.756 -7.733
12 H ASN 2 H ASN 2 -16.918 -10.298 -8.644
13 HA ASN 2 HA ASN 2 -14.710 -10.184 -10.499
14 HB2 ASN 2 HB2 ASN 2 -17.636 -10.833 -10.770
15 HB3 ASN 2 HB3 ASN 2 -16.601 -10.664 -12.183
16 HD21 ASN 2 HD21 ASN 2 -16.974 -12.815 -12.725
17 HD22 ASN 2 HD22 ASN 2 -16.198 -14.116 -11.876
18 H GLN 3 H GLN 3 -17.229 -8.050 -9.483
19 HA GLN 3 HA GLN 3 -17.036 -6.441 -11.911
20 HB2 GLN 3 HB2 GLN 3 -19.273 -6.938 -11.004
21 HB3 GLN 3 HB3 GLN 3 -18.841 -6.136 -9.500
22 HG2 GLN 3 HG2 GLN 3 -18.491 -4.041 -10.814
23 HG3 GLN 3 HG3 GLN 3 -19.149 -4.887 -12.214
24 HE21 GLN 3 HE21 GLN 3 -20.110 -2.536 -10.776
25 HE22 GLN 3 HE22 GLN 3 -21.734 -2.905 -10.288
26 H ASN 4 H ASN 4 -16.252 -4.371 -11.978
27 HA ASN 4 HA ASN 4 -14.802 -3.398 -9.635
28 HB2 ASN 4 HB2 ASN 4 -14.925 -2.331 -12.470
29 HB3 ASN 4 HB3 ASN 4 -13.926 -1.665 -11.184
30 HD21 ASN 4 HD21 ASN 4 -12.054 -2.714 -10.577
31 HD22 ASN 4 HD22 ASN 4 -11.393 -4.040 -11.486
32 H LEU 5 H LEU 5 -15.189 -1.216 -8.839
33 HA LEU 5 HA LEU 5 -17.672 0.078 -9.586
34 HB2 LEU 5 HB2 LEU 5 -18.325 -1.794 -8.050
35 HB3 LEU 5 HB3 LEU 5 -17.325 -1.066 -6.809
36 HG LEU 5 HG LEU 5 -18.780 0.973 -6.938
37 HD11 LEU 5 HD11 LEU 5 -20.518 -0.833 -8.612
38 HD12 LEU 5 HD12 LEU 5 -19.688 0.619 -9.173
39 HD13 LEU 5 HD13 LEU 5 -20.977 0.746 -7.975
40 HD21 LEU 5 HD21 LEU 5 -19.052 -0.694 -5.182
41 HD22 LEU 5 HD22 LEU 5 -20.133 -1.621 -6.220
42 HD23 LEU 5 HD23 LEU 5 -20.605 -0.018 -5.662
43 H GLN 6 H GLN 6 -17.867 2.196 -8.676
44 HA GLN 6 HA GLN 6 -15.501 3.537 -7.967
45 HB2 GLN 6 HB2 GLN 6 -18.380 4.308 -7.438
46 HB3 GLN 6 HB3 GLN 6 -17.007 5.380 -7.216
47 HG2 GLN 6 HG2 GLN 6 -16.492 5.141 -9.624
48 HG3 GLN 6 HG3 GLN 6 -17.960 4.179 -9.799
49 HE21 GLN 6 HE21 GLN 6 -19.966 5.170 -9.584
50 HE22 GLN 6 HE22 GLN 6 -20.152 6.891 -9.700
51 H GLY 7 H GLY 7 -14.367 3.374 -6.171
52 HA2 GLY 7 HA2 GLY 7 -14.290 3.492 -3.721
53 HA3 GLY 7 HA3 GLY 7 -15.763 2.522 -3.705
54 H GLU 8 H GLU 8 -12.787 2.235 -5.563
55 HA GLU 8 HA GLU 8 -12.809 -0.625 -5.122
56 HB2 GLU 8 HB2 GLU 8 -12.452 0.402 -7.372
57 HB3 GLU 8 HB3 GLU 8 -10.918 1.032 -6.792
58 HG2 GLU 8 HG2 GLU 8 -9.984 -1.111 -6.608
59 HG3 GLU 8 HG3 GLU 8 -11.559 -1.893 -6.735
60 H TRP 9 H TRP 9 -11.352 2.099 -3.738
61 HA TRP 9 HA TRP 9 -8.867 1.157 -2.901
62 HB2 TRP 9 HB2 TRP 9 -9.392 3.431 -2.464
63 HB3 TRP 9 HB3 TRP 9 -10.864 3.011 -1.602
64 HD1 TRP 9 HD1 TRP 9 -10.572 3.619 0.841
65 HE1 TRP 9 HE1 TRP 9 -8.720 3.378 2.612
66 HE3 TRP 9 HE3 TRP 9 -6.915 1.592 -2.093
67 HZ2 TRP 9 HZ2 TRP 9 -6.047 2.444 2.740
68 HZ3 TRP 9 HZ3 TRP 9 -4.746 1.052 -1.075
69 HH2 TRP 9 HH2 TRP 9 -4.321 1.469 1.290
70 H MET 10 H MET 10 -12.028 0.837 -1.312
71 HA MET 10 HA MET 10 -11.253 -0.687 0.877
72 HB2 MET 10 HB2 MET 10 -13.509 0.282 0.536
73 HB3 MET 10 HB3 MET 10 -13.828 -0.935 -0.688
74 HG2 MET 10 HG2 MET 10 -14.897 -1.717 1.230
75 HG3 MET 10 HG3 MET 10 -13.413 -2.658 1.130
76 HE1 MET 10 HE1 MET 10 -11.529 -2.640 2.885
77 HE2 MET 10 HE2 MET 10 -11.275 -1.351 4.060
78 HE3 MET 10 HE3 MET 10 -11.109 -1.019 2.334
79 H LYS 11 H LYS 11 -12.023 -1.710 -2.415
80 HA LYS 11 HA LYS 11 -12.012 -4.487 -1.881
81 HB2 LYS 11 HB2 LYS 11 -13.043 -3.380 -3.893
82 HB3 LYS 11 HB3 LYS 11 -11.417 -3.132 -4.518
83 HG2 LYS 11 HG2 LYS 11 -11.122 -5.645 -4.314
84 HG3 LYS 11 HG3 LYS 11 -12.868 -5.718 -4.072
85 HD2 LYS 11 HD2 LYS 11 -12.443 -6.099 -6.383
86 HD3 LYS 11 HD3 LYS 11 -13.129 -4.483 -6.232
87 HE2 LYS 11 HE2 LYS 11 -10.942 -3.492 -6.424
88 HE3 LYS 11 HE3 LYS 11 -10.182 -5.079 -6.434
89 HZ1 LYS 11 HZ1 LYS 11 -11.464 -5.529 -8.515
90 HZ2 LYS 11 HZ2 LYS 11 -10.287 -4.317 -8.664
91 HZ3 LYS 11 HZ3 LYS 11 -11.921 -3.896 -8.525
92 H ASN 12 H ASN 12 -9.614 -2.352 -3.404
93 HA ASN 12 HA ASN 12 -7.597 -4.271 -3.693
94 HB2 ASN 12 HB2 ASN 12 -7.423 -1.267 -3.428
95 HB3 ASN 12 HB3 ASN 12 -6.057 -2.292 -3.846
96 HD21 ASN 12 HD21 ASN 12 -7.149 -0.189 -5.420
97 HD22 ASN 12 HD22 ASN 12 -7.695 -0.889 -6.903
98 H TYR 13 H TYR 13 -8.496 -2.239 -0.987
99 HA TYR 13 HA TYR 13 -6.177 -2.597 0.561
100 HB2 TYR 13 HB2 TYR 13 -7.960 -0.905 1.002
101 HB3 TYR 13 HB3 TYR 13 -9.005 -2.206 1.560
102 HD1 TYR 13 HD1 TYR 13 -5.473 -1.140 2.194
103 HD2 TYR 13 HD2 TYR 13 -9.214 -2.296 3.852
104 HE1 TYR 13 HE1 TYR 13 -4.543 -0.887 4.457
105 HE2 TYR 13 HE2 TYR 13 -8.295 -2.043 6.120
106 HH TYR 13 HH TYR 13 -6.109 -2.072 7.237
107 H GLU 14 H GLU 14 -9.167 -4.480 0.303
108 HA GLU 14 HA GLU 14 -8.588 -6.347 2.328
109 HB2 GLU 14 HB2 GLU 14 -10.255 -6.643 -0.177
110 HB3 GLU 14 HB3 GLU 14 -10.217 -7.818 1.131
111 HG2 GLU 14 HG2 GLU 14 -11.105 -4.951 1.377
112 HG3 GLU 14 HG3 GLU 14 -12.169 -6.350 1.251
113 H GLU 15 H GLU 15 -7.896 -6.371 -1.154
114 HA GLU 15 HA GLU 15 -6.533 -8.823 -1.269
115 HB2 GLU 15 HB2 GLU 15 -6.597 -6.353 -2.910
116 HB3 GLU 15 HB3 GLU 15 -5.183 -7.375 -3.107
117 HG2 GLU 15 HG2 GLU 15 -6.791 -7.937 -4.773
118 HG3 GLU 15 HG3 GLU 15 -6.666 -9.269 -3.627
119 H LEU 16 H LEU 16 -5.354 -5.542 -0.714
120 HA LEU 16 HA LEU 16 -2.628 -6.042 -0.567
121 HB2 LEU 16 HB2 LEU 16 -3.670 -3.819 -0.712
122 HB3 LEU 16 HB3 LEU 16 -4.240 -3.984 0.937
123 HG LEU 16 HG LEU 16 -1.796 -4.194 1.610
124 HD11 LEU 16 HD11 LEU 16 -0.168 -3.221 0.079
125 HD12 LEU 16 HD12 LEU 16 -1.409 -3.087 -1.168
126 HD13 LEU 16 HD13 LEU 16 -0.891 -4.676 -0.604
127 HD21 LEU 16 HD21 LEU 16 -3.144 -2.217 2.029
128 HD22 LEU 16 HD22 LEU 16 -2.777 -1.611 0.415
129 HD23 LEU 16 HD23 LEU 16 -1.489 -1.778 1.609
130 H LYS 17 H LYS 17 -4.968 -5.849 2.110
131 HA LYS 17 HA LYS 17 -3.312 -6.309 4.268
132 HB2 LYS 17 HB2 LYS 17 -6.106 -7.373 3.824
133 HB3 LYS 17 HB3 LYS 17 -5.292 -7.304 5.378
134 HG2 LYS 17 HG2 LYS 17 -5.451 -4.995 5.500
135 HG3 LYS 17 HG3 LYS 17 -5.693 -4.825 3.758
136 HD2 LYS 17 HD2 LYS 17 -7.787 -4.429 4.812
137 HD3 LYS 17 HD3 LYS 17 -7.883 -6.004 4.035
138 HE2 LYS 17 HE2 LYS 17 -7.382 -7.058 6.221
139 HE3 LYS 17 HE3 LYS 17 -7.427 -5.462 6.968
140 HZ1 LYS 17 HZ1 LYS 17 -9.537 -6.516 7.262
141 HZ2 LYS 17 HZ2 LYS 17 -9.668 -6.854 5.609
142 HZ3 LYS 17 HZ3 LYS 17 -9.736 -5.250 6.151
143 H SER 18 H SER 18 -5.082 -8.714 2.389
144 HA SER 18 HA SER 18 -4.101 -10.964 3.750
145 HB2 SER 18 HB2 SER 18 -6.131 -10.890 2.265
146 HB3 SER 18 HB3 SER 18 -5.042 -10.879 0.879
147 HG SER 18 HG SER 18 -5.620 -12.932 2.684
148 H PHE 19 H PHE 19 -2.979 -9.365 0.777
149 HA PHE 19 HA PHE 19 -1.130 -11.438 0.147
150 HB2 PHE 19 HB2 PHE 19 -2.220 -9.655 -1.408
151 HB3 PHE 19 HB3 PHE 19 -0.856 -8.652 -0.924
152 HD1 PHE 19 HD2 PHE 19 -1.831 -11.782 -2.607
153 HD2 PHE 19 HD1 PHE 19 1.330 -9.047 -1.793
154 HE1 PHE 19 HE2 PHE 19 -0.443 -12.885 -4.312
155 HE2 PHE 19 HE1 PHE 19 2.723 -10.148 -3.500
156 HZ PHE 19 HZ PHE 19 1.835 -12.067 -4.761
157 H VAL 20 H VAL 20 -0.733 -8.208 1.632
158 HA VAL 20 HA VAL 20 2.076 -8.440 1.930
159 HB VAL 20 HB VAL 20 0.114 -6.744 3.482
160 HG11 VAL 20 HG11 VAL 20 3.127 -6.593 3.382
161 HG12 VAL 20 HG12 VAL 20 2.160 -7.095 4.769
162 HG13 VAL 20 HG13 VAL 20 2.061 -5.436 4.181
163 HG21 VAL 20 HG21 VAL 20 0.935 -4.940 2.041
164 HG22 VAL 20 HG22 VAL 20 0.203 -6.237 1.097
165 HG23 VAL 20 HG23 VAL 20 1.959 -6.091 1.187
166 H ARG 21 H ARG 21 -0.636 -9.307 4.036
167 HA ARG 21 HA ARG 21 0.846 -10.048 6.298
168 HB2 ARG 21 HB2 ARG 21 -1.628 -9.827 6.226
169 HB3 ARG 21 HB3 ARG 21 -1.718 -11.289 5.262
170 HG2 ARG 21 HG2 ARG 21 -0.442 -11.347 7.967
171 HG3 ARG 21 HG3 ARG 21 -2.197 -11.391 7.802
172 HD2 ARG 21 HD2 ARG 21 -1.945 -13.349 6.293
173 HD3 ARG 21 HD3 ARG 21 -0.216 -13.338 6.626
174 HE ARG 21 HE ARG 21 -2.262 -13.762 8.715
175 HH11 ARG 21 HH11 ARG 21 0.856 -14.447 7.275
176 HH12 ARG 21 HH12 ARG 21 1.215 -15.757 8.361
177 HH21 ARG 21 HH21 ARG 21 -1.789 -15.493 10.147
178 HH22 ARG 21 HH22 ARG 21 -0.279 -16.337 9.995
179 H LYS 22 H LYS 22 0.344 -11.622 3.246
180 HA LYS 22 HA LYS 22 1.321 -14.184 4.079
181 HB2 LYS 22 HB2 LYS 22 0.266 -12.953 1.625
182 HB3 LYS 22 HB3 LYS 22 1.483 -14.184 1.355
183 HG2 LYS 22 HG2 LYS 22 -0.777 -15.097 1.262
184 HG3 LYS 22 HG3 LYS 22 0.154 -15.805 2.580
185 HD2 LYS 22 HD2 LYS 22 -1.011 -14.561 4.205
186 HD3 LYS 22 HD3 LYS 22 -1.686 -13.466 2.996
187 HE2 LYS 22 HE2 LYS 22 -3.361 -15.052 3.808
188 HE3 LYS 22 HE3 LYS 22 -3.040 -15.272 2.091
189 HZ1 LYS 22 HZ1 LYS 22 -3.181 -17.386 3.233
190 HZ2 LYS 22 HZ2 LYS 22 -1.930 -16.939 4.288
191 HZ3 LYS 22 HZ3 LYS 22 -1.614 -17.151 2.634
192 H TYR 23 H TYR 23 2.591 -11.802 1.702
193 HA TYR 23 HA TYR 23 5.222 -13.084 2.079
194 HB2 TYR 23 HB2 TYR 23 4.111 -11.789 -0.418
195 HB3 TYR 23 HB3 TYR 23 5.693 -12.550 -0.268
196 HD1 TYR 23 HD1 TYR 23 5.796 -15.025 0.238
197 HD2 TYR 23 HD2 TYR 23 2.196 -13.068 -0.895
198 HE1 TYR 23 HE1 TYR 23 4.800 -17.198 -0.334
199 HE2 TYR 23 HE2 TYR 23 1.191 -15.235 -1.468
200 HH TYR 23 HH TYR 23 1.801 -17.465 -2.015
201 H ARG 24 H ARG 24 3.685 -10.304 2.823
202 HA ARG 24 HA ARG 24 4.371 -8.273 3.572
203 HB2 ARG 24 HB2 ARG 24 7.160 -9.406 3.300
204 HB3 ARG 24 HB3 ARG 24 6.719 -7.959 4.195
205 HG2 ARG 24 HG2 ARG 24 5.958 -10.796 4.821
206 HG3 ARG 24 HG3 ARG 24 7.012 -9.730 5.752
207 HD2 ARG 24 HD2 ARG 24 5.049 -8.213 6.067
208 HD3 ARG 24 HD3 ARG 24 4.050 -9.449 5.313
209 HE ARG 24 HE ARG 24 4.451 -10.885 7.160
210 HH11 ARG 24 HH11 ARG 24 5.773 -7.675 7.578
211 HH12 ARG 24 HH12 ARG 24 5.814 -7.774 9.308
212 HH21 ARG 24 HH21 ARG 24 4.486 -11.019 9.450
213 HH22 ARG 24 HH22 ARG 24 5.049 -9.657 10.378
214 H ARG 25 H ARG 25 4.528 -9.115 0.572
215 HA ARG 25 HA ARG 25 5.050 -6.619 -0.583
216 HB2 ARG 25 HB2 ARG 25 7.172 -7.052 -1.743
217 HB3 ARG 25 HB3 ARG 25 7.409 -7.092 -0.001
218 HG2 ARG 25 HG2 ARG 25 7.424 -9.512 -0.025
219 HG3 ARG 25 HG3 ARG 25 7.079 -9.520 -1.753
220 HD2 ARG 25 HD2 ARG 25 9.210 -8.430 -2.200
221 HD3 ARG 25 HD3 ARG 25 9.549 -8.358 -0.470
222 HE ARG 25 HE ARG 25 9.237 -10.956 -0.740
223 HH11 ARG 25 HH11 ARG 25 10.994 -8.726 -2.797
224 HH12 ARG 25 HH12 ARG 25 12.098 -9.932 -3.375
225 HH21 ARG 25 HH21 ARG 25 10.668 -12.547 -1.516
226 HH22 ARG 25 HH22 ARG 25 11.915 -12.109 -2.654
227 H PHE 26 H PHE 26 5.427 -6.946 -3.072
228 HA PHE 26 HA PHE 26 3.860 -9.275 -3.962
229 HB2 PHE 26 HB2 PHE 26 4.531 -6.877 -5.656
230 HB3 PHE 26 HB3 PHE 26 3.210 -8.023 -5.853
231 HD1 PHE 26 HD2 PHE 26 1.304 -7.974 -4.215
232 HD2 PHE 26 HD1 PHE 26 4.283 -4.940 -4.378
233 HE1 PHE 26 HE2 PHE 26 -0.170 -6.463 -2.956
234 HE2 PHE 26 HE1 PHE 26 2.813 -3.426 -3.117
235 HZ PHE 26 HZ PHE 26 0.588 -4.189 -2.410
236 HA PRO 27 HA PRO 27 8.231 -10.313 -4.905
237 HB2 PRO 27 HB2 PRO 27 7.810 -13.013 -5.067
238 HB3 PRO 27 HB3 PRO 27 8.119 -12.152 -3.556
239 HG2 PRO 27 HG2 PRO 27 5.520 -13.061 -4.724
240 HG3 PRO 27 HG3 PRO 27 6.076 -13.117 -3.040
241 HD2 PRO 27 HD2 PRO 27 4.369 -11.226 -3.923
242 HD3 PRO 27 HD3 PRO 27 5.580 -10.893 -2.667
243 H LYS 28 H LYS 28 5.497 -11.944 -6.498
244 HA LYS 28 HA LYS 28 7.026 -12.457 -8.881
245 HB2 LYS 28 HB2 LYS 28 4.038 -12.688 -8.493
246 HB3 LYS 28 HB3 LYS 28 4.997 -13.438 -9.758
247 HG2 LYS 28 HG2 LYS 28 6.109 -14.835 -8.090
248 HG3 LYS 28 HG3 LYS 28 5.141 -14.075 -6.821
249 HD2 LYS 28 HD2 LYS 28 4.091 -15.685 -9.149
250 HD3 LYS 28 HD3 LYS 28 4.165 -16.209 -7.464
251 HE2 LYS 28 HE2 LYS 28 2.586 -14.505 -6.818
252 HE3 LYS 28 HE3 LYS 28 2.601 -13.823 -8.444
253 HZ1 LYS 28 HZ1 LYS 28 0.647 -15.170 -8.114
254 HZ2 LYS 28 HZ2 LYS 28 1.592 -16.513 -7.684
255 HZ3 LYS 28 HZ3 LYS 28 1.653 -15.901 -9.268
256 H SER 29 H SER 29 4.739 -10.088 -7.772
257 HA SER 29 HA SER 29 3.812 -8.233 -8.663
258 HB2 SER 29 HB2 SER 29 6.231 -7.769 -9.309
259 HB3 SER 29 HB3 SER 29 5.847 -8.427 -10.898
260 HG SER 29 HG SER 29 4.867 -6.090 -9.648
261 H THR 30 H THR 30 3.516 -7.594 -11.454
262 HA THR 30 HA THR 30 1.986 -7.836 -13.077
263 HB THR 30 HB THR 30 1.637 -10.051 -14.133
264 HG1 THR 30 HG1 THR 30 2.954 -10.911 -11.828
265 HG21 THR 30 HG21 THR 30 4.508 -9.322 -13.582
266 HG22 THR 30 HG22 THR 30 3.477 -8.628 -14.832
267 HG23 THR 30 HG23 THR 30 3.943 -10.327 -14.917
268 H GLU 31 H GLU 31 1.288 -8.738 -10.028
269 HA GLU 31 HA GLU 31 -1.348 -9.713 -10.293
270 HB2 GLU 31 HB2 GLU 31 0.132 -8.180 -8.185
271 HB3 GLU 31 HB3 GLU 31 -1.618 -8.262 -8.086
272 HG2 GLU 31 HG2 GLU 31 -0.666 -9.966 -6.709
273 HG3 GLU 31 HG3 GLU 31 -1.483 -10.715 -8.074
274 H GLY 32 H GLY 32 -3.187 -8.700 -10.914
275 HA2 GLY 32 HA2 GLY 32 -3.051 -6.493 -12.569
276 HA3 GLY 32 HA3 GLY 32 -4.530 -7.092 -11.847
277 H ASN 33 H ASN 33 -4.904 -6.365 -9.544
278 HA ASN 33 HA ASN 33 -4.926 -3.525 -9.625
279 HB2 ASN 33 HB2 ASN 33 -6.150 -3.648 -7.512
280 HB3 ASN 33 HB3 ASN 33 -6.801 -4.775 -8.691
281 HD21 ASN 33 HD21 ASN 33 -7.088 -4.767 -5.836
282 HD22 ASN 33 HD22 ASN 33 -6.469 -6.282 -5.273
283 H LEU 34 H LEU 34 -3.195 -5.850 -7.576
284 HA LEU 34 HA LEU 34 -2.106 -3.809 -5.895
285 HB2 LEU 34 HB2 LEU 34 -1.360 -6.705 -6.181
286 HB3 LEU 34 HB3 LEU 34 -0.790 -5.636 -4.923
287 HG LEU 34 HG LEU 34 -3.672 -6.428 -5.357
288 HD11 LEU 34 HD11 LEU 34 -2.379 -8.299 -4.556
289 HD12 LEU 34 HD12 LEU 34 -3.390 -7.675 -3.251
290 HD13 LEU 34 HD13 LEU 34 -1.666 -7.303 -3.286
291 HD21 LEU 34 HD21 LEU 34 -4.083 -5.321 -3.224
292 HD22 LEU 34 HD22 LEU 34 -3.439 -4.187 -4.408
293 HD23 LEU 34 HD23 LEU 34 -2.393 -4.827 -3.142
294 H GLY 35 H GLY 35 -0.915 -5.588 -8.681
295 HA2 GLY 35 HA2 GLY 35 1.824 -5.006 -8.418
296 HA3 GLY 35 HA3 GLY 35 0.997 -5.367 -9.928
297 H GLY 36 H GLY 36 -0.802 -3.241 -9.965
298 HA2 GLY 36 HA2 GLY 36 0.953 -1.098 -10.791
299 HA3 GLY 36 HA3 GLY 36 -0.798 -1.126 -10.941
300 H TRP 37 H TRP 37 -1.116 -1.843 -8.095
301 HA TRP 37 HA TRP 37 -1.534 0.683 -6.994
302 HB2 TRP 37 HB2 TRP 37 -2.472 -1.590 -6.238
303 HB3 TRP 37 HB3 TRP 37 -0.983 -1.750 -5.310
304 HD1 TRP 37 HD1 TRP 37 -4.078 0.498 -5.581
305 HE1 TRP 37 HE1 TRP 37 -4.395 1.714 -3.352
306 HE3 TRP 37 HE3 TRP 37 0.162 -1.058 -3.188
307 HZ2 TRP 37 HZ2 TRP 37 -3.047 1.963 -0.879
308 HZ3 TRP 37 HZ3 TRP 37 0.568 -0.292 -0.890
309 HH2 TRP 37 HH2 TRP 37 -1.003 1.190 0.240
310 H CYS 38 H CYS 38 1.053 -1.649 -6.194
311 HA CYS 38 HA CYS 38 2.433 0.085 -4.456
312 HB2 CYS 38 HB2 CYS 38 4.363 -1.502 -4.831
313 HB3 CYS 38 HB3 CYS 38 2.863 -2.251 -4.295
314 HG CYS 38 HG CYS 38 2.214 -3.445 -6.632
315 H HIS 39 H HIS 39 2.809 -0.567 -7.906
316 HA HIS 39 HA HIS 39 5.185 0.907 -8.264
317 HB2 HIS 39 HB2 HIS 39 3.058 -0.087 -10.135
318 HB3 HIS 39 HB3 HIS 39 4.375 0.916 -10.728
319 HD1 HIS 39 HD1 HIS 39 3.840 -2.177 -11.416
320 HD2 HIS 39 HD2 HIS 39 6.676 -0.663 -8.773
321 HE1 HIS 39 HE1 HIS 39 5.615 -3.945 -11.238
322 HE2 HIS 39 HE2 HIS 39 7.390 -2.951 -9.747
323 H THR 40 H THR 40 1.839 1.862 -8.177
324 HA THR 40 HA THR 40 2.370 4.493 -9.249
325 HB THR 40 HB THR 40 -0.133 3.465 -7.891
326 HG1 THR 40 HG1 THR 40 0.107 2.213 -9.684
327 HG21 THR 40 HG21 THR 40 -1.256 5.272 -9.122
328 HG22 THR 40 HG22 THR 40 0.303 5.814 -9.743
329 HG23 THR 40 HG23 THR 40 -0.035 5.906 -8.017
330 H GLN 41 H GLN 41 1.803 3.017 -6.091
331 HA GLN 41 HA GLN 41 1.647 5.436 -4.630
332 HB2 GLN 41 HB2 GLN 41 1.773 2.573 -4.029
333 HB3 GLN 41 HB3 GLN 41 2.517 3.591 -2.801
334 HG2 GLN 41 HG2 GLN 41 0.065 3.026 -2.511
335 HG3 GLN 41 HG3 GLN 41 0.524 4.718 -2.356
336 HE21 GLN 41 HE21 GLN 41 -1.107 2.356 -4.323
337 HE22 GLN 41 HE22 GLN 41 -1.951 3.487 -5.322
338 H ARG 42 H ARG 42 4.348 3.438 -5.624
339 HA ARG 42 HA ARG 42 6.363 4.404 -3.988
340 HB2 ARG 42 HB2 ARG 42 6.681 2.584 -5.610
341 HB3 ARG 42 HB3 ARG 42 6.539 3.730 -6.933
342 HG2 ARG 42 HG2 ARG 42 8.864 3.148 -6.506
343 HG3 ARG 42 HG3 ARG 42 8.566 4.860 -6.196
344 HD2 ARG 42 HD2 ARG 42 8.439 4.434 -3.816
345 HD3 ARG 42 HD3 ARG 42 8.634 2.707 -4.092
346 HE ARG 42 HE ARG 42 10.773 4.449 -5.044
347 HH11 ARG 42 HH11 ARG 42 9.613 2.204 -2.625
348 HH12 ARG 42 HH12 ARG 42 11.180 1.940 -1.921
349 HH21 ARG 42 HH21 ARG 42 12.853 4.101 -4.137
350 HH22 ARG 42 HH22 ARG 42 13.015 3.011 -2.790
351 H LYS 43 H LYS 43 4.916 5.840 -6.839
352 HA LYS 43 HA LYS 43 6.755 7.985 -7.077
353 HB2 LYS 43 HB2 LYS 43 5.578 7.270 -9.013
354 HB3 LYS 43 HB3 LYS 43 4.023 7.427 -8.215
355 HG2 LYS 43 HG2 LYS 43 5.508 9.928 -8.332
356 HG3 LYS 43 HG3 LYS 43 5.143 9.245 -9.919
357 HD2 LYS 43 HD2 LYS 43 3.137 9.715 -7.715
358 HD3 LYS 43 HD3 LYS 43 3.371 10.750 -9.119
359 HE2 LYS 43 HE2 LYS 43 2.596 7.841 -9.242
360 HE3 LYS 43 HE3 LYS 43 1.460 9.184 -9.349
361 HZ1 LYS 43 HZ1 LYS 43 2.416 9.887 -11.375
362 HZ2 LYS 43 HZ2 LYS 43 2.175 8.215 -11.517
363 HZ3 LYS 43 HZ3 LYS 43 3.728 8.827 -11.227
364 H MET 44 H MET 44 3.600 7.595 -5.506
365 HA MET 44 HA MET 44 3.223 10.271 -4.707
366 HB2 MET 44 HB2 MET 44 2.439 7.871 -3.048
367 HB3 MET 44 HB3 MET 44 1.655 9.441 -3.108
368 HG2 MET 44 HG2 MET 44 1.693 7.371 -5.281
369 HG3 MET 44 HG3 MET 44 0.335 7.788 -4.240
370 HE1 MET 44 HE1 MET 44 -0.849 7.862 -6.763
371 HE2 MET 44 HE2 MET 44 0.752 7.678 -7.483
372 HE3 MET 44 HE3 MET 44 -0.309 8.993 -8.007
373 H ARG 45 H ARG 45 5.006 7.609 -3.269
374 HA ARG 45 HA ARG 45 5.490 8.926 -0.792
375 HB2 ARG 45 HB2 ARG 45 5.526 6.425 -1.213
376 HB3 ARG 45 HB3 ARG 45 7.108 6.646 -1.925
377 HG2 ARG 45 HG2 ARG 45 6.435 7.457 0.892
378 HG3 ARG 45 HG3 ARG 45 7.078 5.874 0.464
379 HD2 ARG 45 HD2 ARG 45 9.152 6.673 0.439
380 HD3 ARG 45 HD3 ARG 45 8.698 7.932 -0.709
381 HE ARG 45 HE ARG 45 7.779 8.794 1.741
382 HH11 ARG 45 HH11 ARG 45 10.888 8.051 0.296
383 HH12 ARG 45 HH12 ARG 45 11.763 9.106 1.364
384 HH21 ARG 45 HH21 ARG 45 8.941 10.185 3.119
385 HH22 ARG 45 HH22 ARG 45 10.670 10.297 2.959
386 H LYS 46 H LYS 46 7.556 8.406 -3.683
387 HA LYS 46 HA LYS 46 9.779 9.783 -2.646
388 HB2 LYS 46 HB2 LYS 46 10.563 9.909 -4.948
389 HB3 LYS 46 HB3 LYS 46 9.923 8.315 -4.608
390 HG2 LYS 46 HG2 LYS 46 7.979 8.715 -5.864
391 HG3 LYS 46 HG3 LYS 46 8.295 10.447 -5.946
392 HD2 LYS 46 HD2 LYS 46 10.241 10.037 -7.353
393 HD3 LYS 46 HD3 LYS 46 9.975 8.296 -7.233
394 HE2 LYS 46 HE2 LYS 46 7.919 8.446 -8.425
395 HE3 LYS 46 HE3 LYS 46 7.929 10.206 -8.342
396 HZ1 LYS 46 HZ1 LYS 46 8.606 9.244 -10.525
397 HZ2 LYS 46 HZ2 LYS 46 9.999 8.632 -9.771
398 HZ3 LYS 46 HZ3 LYS 46 9.738 10.302 -9.841
399 H GLN 47 H GLN 47 6.808 10.864 -4.018
400 HA GLN 47 HA GLN 47 7.730 13.582 -4.397
401 HB2 GLN 47 HB2 GLN 47 5.224 12.072 -4.949
402 HB3 GLN 47 HB3 GLN 47 5.106 13.814 -4.782
403 HG2 GLN 47 HG2 GLN 47 6.790 14.081 -6.544
404 HG3 GLN 47 HG3 GLN 47 6.871 12.328 -6.713
405 HE21 GLN 47 HE21 GLN 47 6.251 12.454 -8.864
406 HE22 GLN 47 HE22 GLN 47 4.613 12.787 -9.331
407 H GLY 48 H GLY 48 6.921 11.797 -1.779
408 HA2 GLY 48 HA2 GLY 48 6.419 12.316 0.390
409 HA3 GLY 48 HA3 GLY 48 6.923 13.949 -0.009
410 H LYS 49 H LYS 49 4.220 12.346 -1.559
411 HA LYS 49 HA LYS 49 2.449 14.202 -0.121
412 HB2 LYS 49 HB2 LYS 49 1.034 14.207 -2.190
413 HB3 LYS 49 HB3 LYS 49 2.587 15.010 -2.335
414 HG2 LYS 49 HG2 LYS 49 2.439 13.852 -4.314
415 HG3 LYS 49 HG3 LYS 49 3.390 12.755 -3.317
416 HD2 LYS 49 HD2 LYS 49 1.631 11.589 -4.597
417 HD3 LYS 49 HD3 LYS 49 1.421 11.418 -2.852
418 HE2 LYS 49 HE2 LYS 49 -0.403 12.841 -2.803
419 HE3 LYS 49 HE3 LYS 49 0.038 13.617 -4.321
420 HZ1 LYS 49 HZ1 LYS 49 -1.894 12.157 -4.557
421 HZ2 LYS 49 HZ2 LYS 49 -0.964 10.828 -4.064
422 HZ3 LYS 49 HZ3 LYS 49 -0.592 11.631 -5.506
423 H LEU 50 H LEU 50 3.190 11.041 -0.493
424 HA LEU 50 HA LEU 50 0.699 9.747 -0.400
425 HB2 LEU 50 HB2 LEU 50 3.399 9.046 -0.127
426 HB3 LEU 50 HB3 LEU 50 2.662 8.570 1.388
427 HG LEU 50 HG LEU 50 1.301 7.717 -1.126
428 HD11 LEU 50 HD11 LEU 50 3.779 6.400 -0.022
429 HD12 LEU 50 HD12 LEU 50 3.660 7.230 -1.575
430 HD13 LEU 50 HD13 LEU 50 2.738 5.752 -1.291
431 HD21 LEU 50 HD21 LEU 50 0.823 5.757 0.215
432 HD22 LEU 50 HD22 LEU 50 0.368 7.221 1.093
433 HD23 LEU 50 HD23 LEU 50 1.858 6.366 1.504
434 HA PRO 51 HA PRO 51 -0.760 11.167 3.560
435 HB2 PRO 51 HB2 PRO 51 -2.706 9.331 3.987
436 HB3 PRO 51 HB3 PRO 51 -2.875 10.663 2.836
437 HG2 PRO 51 HG2 PRO 51 -2.199 7.796 2.335
438 HG3 PRO 51 HG3 PRO 51 -3.251 8.879 1.407
439 HD2 PRO 51 HD2 PRO 51 -0.696 8.278 0.678
440 HD3 PRO 51 HD3 PRO 51 -1.493 9.808 0.269
441 H ASN 52 H ASN 52 -0.670 10.647 5.717
442 HA ASN 52 HA ASN 52 1.387 8.816 6.424
443 HB2 ASN 52 HB2 ASN 52 1.117 10.924 7.623
444 HB3 ASN 52 HB3 ASN 52 -0.507 10.466 8.119
445 HD21 ASN 52 HD21 ASN 52 -0.790 9.023 9.785
446 HD22 ASN 52 HD22 ASN 52 0.507 8.534 10.811
447 H ASP 53 H ASP 53 -2.053 8.732 6.377
448 HA ASP 53 HA ASP 53 -2.457 6.680 8.310
449 HB2 ASP 53 HB2 ASP 53 -4.297 7.435 6.028
450 HB3 ASP 53 HB3 ASP 53 -4.744 6.624 7.525
451 H ARG 54 H ARG 54 -2.571 6.754 4.791
452 HA ARG 54 HA ARG 54 -2.967 4.062 4.272
453 HB2 ARG 54 HB2 ARG 54 -3.197 5.629 2.510
454 HB3 ARG 54 HB3 ARG 54 -1.575 6.258 2.748
455 HG2 ARG 54 HG2 ARG 54 -0.858 4.912 1.156
456 HG3 ARG 54 HG3 ARG 54 -1.290 3.527 2.161
457 HD2 ARG 54 HD2 ARG 54 -2.283 3.515 -0.123
458 HD3 ARG 54 HD3 ARG 54 -3.456 3.397 1.185
459 HE ARG 54 HE ARG 54 -3.730 5.907 0.810
460 HH11 ARG 54 HH11 ARG 54 -2.927 3.650 -1.749
461 HH12 ARG 54 HH12 ARG 54 -3.672 4.591 -3.002
462 HH21 ARG 54 HH21 ARG 54 -4.709 7.162 -0.836
463 HH22 ARG 54 HH22 ARG 54 -4.681 6.595 -2.485
464 H ARG 55 H ARG 55 0.130 5.833 4.395
465 HA ARG 55 HA ARG 55 1.690 3.532 3.929
466 HB2 ARG 55 HB2 ARG 55 3.613 4.905 4.607
467 HB3 ARG 55 HB3 ARG 55 2.575 5.725 3.458
468 HG2 ARG 55 HG2 ARG 55 2.952 7.436 4.861
469 HG3 ARG 55 HG3 ARG 55 1.555 6.738 5.677
470 HD2 ARG 55 HD2 ARG 55 2.849 5.786 7.356
471 HD3 ARG 55 HD3 ARG 55 4.320 5.840 6.385
472 HE ARG 55 HE ARG 55 3.233 8.427 7.051
473 HH11 ARG 55 HH11 ARG 55 5.345 5.842 8.111
474 HH12 ARG 55 HH12 ARG 55 6.355 6.890 9.064
475 HH21 ARG 55 HH21 ARG 55 4.564 9.799 8.279
476 HH22 ARG 55 HH22 ARG 55 5.904 9.131 9.163
477 H LEU 56 H LEU 56 0.279 4.831 6.816
478 HA LEU 56 HA LEU 56 1.886 3.332 8.650
479 HB2 LEU 56 HB2 LEU 56 0.708 5.319 9.393
480 HB3 LEU 56 HB3 LEU 56 -0.831 4.618 8.936
481 HG LEU 56 HG LEU 56 -0.496 2.869 10.685
482 HD11 LEU 56 HD11 LEU 56 1.826 4.605 11.502
483 HD12 LEU 56 HD12 LEU 56 1.946 2.989 10.810
484 HD13 LEU 56 HD13 LEU 56 1.199 3.217 12.391
485 HD21 LEU 56 HD21 LEU 56 -1.004 4.339 12.576
486 HD22 LEU 56 HD22 LEU 56 -1.872 4.833 11.123
487 HD23 LEU 56 HD23 LEU 56 -0.446 5.728 11.644
488 H LEU 57 H LEU 57 -1.204 2.866 7.018
489 HA LEU 57 HA LEU 57 -1.987 0.458 8.211
490 HB2 LEU 57 HB2 LEU 57 -2.414 1.330 5.348
491 HB3 LEU 57 HB3 LEU 57 -3.319 0.084 6.182
492 HG LEU 57 HG LEU 57 -3.333 3.028 6.843
493 HD11 LEU 57 HD11 LEU 57 -5.652 2.941 6.076
494 HD12 LEU 57 HD12 LEU 57 -5.439 1.249 5.628
495 HD13 LEU 57 HD13 LEU 57 -4.526 2.505 4.792
496 HD21 LEU 57 HD21 LEU 57 -3.581 1.637 8.845
497 HD22 LEU 57 HD22 LEU 57 -4.913 0.773 8.074
498 HD23 LEU 57 HD23 LEU 57 -5.074 2.488 8.449
499 H LEU 58 H LEU 58 0.051 1.093 5.396
500 HA LEU 58 HA LEU 58 0.565 -1.577 4.686
501 HB2 LEU 58 HB2 LEU 58 1.958 1.020 4.190
502 HB3 LEU 58 HB3 LEU 58 2.780 -0.473 3.786
503 HG LEU 58 HG LEU 58 1.706 0.453 1.822
504 HD11 LEU 58 HD11 LEU 58 0.273 -2.005 2.807
505 HD12 LEU 58 HD12 LEU 58 1.850 -1.968 2.018
506 HD13 LEU 58 HD13 LEU 58 0.406 -1.482 1.128
507 HD21 LEU 58 HD21 LEU 58 -0.075 1.718 2.895
508 HD22 LEU 58 HD22 LEU 58 -0.875 0.216 3.364
509 HD23 LEU 58 HD23 LEU 58 -0.725 0.642 1.658
510 H ASP 59 H ASP 59 2.267 0.614 6.885
511 HA ASP 59 HA ASP 59 4.387 -1.182 7.448
512 HB2 ASP 59 HB2 ASP 59 4.555 1.251 7.839
513 HB3 ASP 59 HB3 ASP 59 3.368 1.115 9.135
514 H LYS 60 H LYS 60 1.222 -0.654 8.859
515 HA LYS 60 HA LYS 60 1.555 -2.178 11.201
516 HB2 LYS 60 HB2 LYS 60 -0.585 -0.846 9.828
517 HB3 LYS 60 HB3 LYS 60 -1.131 -2.431 10.357
518 HG2 LYS 60 HG2 LYS 60 -1.597 -0.719 12.023
519 HG3 LYS 60 HG3 LYS 60 -0.462 -1.925 12.635
520 HD2 LYS 60 HD2 LYS 60 1.401 -0.407 12.155
521 HD3 LYS 60 HD3 LYS 60 0.258 0.800 11.561
522 HE2 LYS 60 HE2 LYS 60 0.927 1.294 13.848
523 HE3 LYS 60 HE3 LYS 60 -0.788 0.901 13.762
524 HZ1 LYS 60 HZ1 LYS 60 0.311 -0.163 15.648
525 HZ2 LYS 60 HZ2 LYS 60 1.357 -0.985 14.593
526 HZ3 LYS 60 HZ3 LYS 60 -0.306 -1.313 14.566
527 H ILE 61 H ILE 61 0.467 -3.087 7.945
528 HA ILE 61 HA ILE 61 0.158 -5.848 8.747
529 HB ILE 61 HB ILE 61 -0.235 -6.258 6.295
530 HG12 ILE 61 HG12 ILE 61 -0.052 -3.240 6.193
531 HG13 ILE 61 HG13 ILE 61 1.019 -4.378 5.383
532 HG21 ILE 61 HG21 ILE 61 -2.061 -5.937 7.872
533 HG22 ILE 61 HG22 ILE 61 -2.455 -5.224 6.308
534 HG23 ILE 61 HG23 ILE 61 -1.963 -4.190 7.649
535 HD11 ILE 61 HD11 ILE 61 -1.913 -4.009 4.816
536 HD12 ILE 61 HD12 ILE 61 -0.834 -5.140 3.996
537 HD13 ILE 61 HD13 ILE 61 -0.579 -3.401 3.839
538 H GLY 62 H GLY 62 2.749 -3.908 7.968
539 HA2 GLY 62 HA2 GLY 62 4.972 -4.587 8.156
540 HA3 GLY 62 HA3 GLY 62 4.455 -6.254 7.955
541 H PHE 63 H PHE 63 3.814 -3.498 5.824
542 HA PHE 63 HA PHE 63 4.807 -4.995 3.561
543 HB2 PHE 63 HB2 PHE 63 2.815 -3.586 3.328
544 HB3 PHE 63 HB3 PHE 63 3.752 -2.168 3.775
545 HD1 PHE 63 HD1 PHE 63 3.705 -4.900 1.241
546 HD2 PHE 63 HD2 PHE 63 4.629 -0.839 2.117
547 HE1 PHE 63 HE1 PHE 63 4.249 -4.518 -1.126
548 HE2 PHE 63 HE2 PHE 63 5.176 -0.450 -0.250
549 HZ PHE 63 HZ PHE 63 4.986 -2.290 -1.876
550 H VAL 64 H VAL 64 6.670 -4.785 2.549
551 HA VAL 64 HA VAL 64 8.686 -3.030 3.690
552 HB VAL 64 HB VAL 64 8.800 -5.242 1.642
553 HG11 VAL 64 HG11 VAL 64 11.081 -3.538 2.652
554 HG12 VAL 64 HG12 VAL 64 10.434 -3.533 1.012
555 HG13 VAL 64 HG13 VAL 64 11.240 -4.972 1.637
556 HG21 VAL 64 HG21 VAL 64 10.123 -6.385 3.332
557 HG22 VAL 64 HG22 VAL 64 8.549 -5.917 3.978
558 HG23 VAL 64 HG23 VAL 64 9.987 -4.985 4.394
559 H TRP 65 H TRP 65 9.140 -1.113 2.854
560 HA TRP 65 HA TRP 65 7.914 -0.307 0.362
561 HB2 TRP 65 HB2 TRP 65 9.621 1.204 2.349
562 HB3 TRP 65 HB3 TRP 65 8.935 1.919 0.894
563 HD1 TRP 65 HD1 TRP 65 7.986 0.779 4.401
564 HE1 TRP 65 HE1 TRP 65 5.593 1.569 4.915
565 HE3 TRP 65 HE3 TRP 65 6.658 2.436 -0.254
566 HZ2 TRP 65 HZ2 TRP 65 3.429 2.746 3.532
567 HZ3 TRP 65 HZ3 TRP 65 4.406 3.374 -0.572
568 HH2 TRP 65 HH2 TRP 65 2.826 3.522 1.282
569 H SER 66 H SER 66 10.981 -1.350 1.520
570 HA SER 66 HA SER 66 12.984 -1.751 0.546
571 HB2 SER 66 HB2 SER 66 11.469 -1.372 -2.048
572 HB3 SER 66 HB3 SER 66 13.084 -2.070 -1.898
573 HG SER 66 HG SER 66 10.600 -3.128 -1.175
574 H LEU 67 H LEU 67 14.631 -0.414 0.687
575 HA LEU 67 HA LEU 67 14.365 2.304 -0.378
576 HB2 LEU 67 HB2 LEU 67 14.982 2.043 2.007
577 HB3 LEU 67 HB3 LEU 67 16.423 1.170 1.524
578 HG LEU 67 HG LEU 67 17.250 3.190 0.372
579 HD11 LEU 67 HD11 LEU 67 16.149 5.332 0.731
580 HD12 LEU 67 HD12 LEU 67 14.834 4.529 1.587
581 HD13 LEU 67 HD13 LEU 67 15.086 4.220 -0.132
582 HD21 LEU 67 HD21 LEU 67 17.917 2.723 2.669
583 HD22 LEU 67 HD22 LEU 67 16.509 3.599 3.268
584 HD23 LEU 67 HD23 LEU 67 17.778 4.459 2.393
585 H GLU 68 H GLU 68 15.554 2.980 -2.057
586 HA GLU 68 HA GLU 68 16.968 1.046 -3.607
587 HB2 GLU 68 HB2 GLU 68 16.595 4.024 -3.988
588 HB3 GLU 68 HB3 GLU 68 17.300 2.940 -5.183
589 HG2 GLU 68 HG2 GLU 68 15.242 1.748 -5.414
590 HG3 GLU 68 HG3 GLU 68 14.527 2.622 -4.063
591 H HIS 69 H HIS 69 19.098 0.752 -3.850
592 HA HIS 69 HA HIS 69 20.792 1.869 -1.807
593 HB2 HIS 69 HB2 HIS 69 21.294 -0.189 -3.959
594 HB3 HIS 69 HB3 HIS 69 22.505 0.307 -2.782
595 HD1 HIS 69 HD1 HIS 69 21.644 -2.609 -2.835
596 HD2 HIS 69 HD2 HIS 69 19.829 0.288 -0.462
597 HE1 HIS 69 HE1 HIS 69 20.558 -3.859 -0.937
598 HE2 HIS 69 HE2 HIS 69 19.636 -2.067 0.579
599 H HIS 70 H HIS 70 23.223 2.132 -2.691
600 HA HIS 70 HA HIS 70 23.127 4.630 -4.115
601 HB2 HIS 70 HB2 HIS 70 24.656 3.889 -2.129
602 HB3 HIS 70 HB3 HIS 70 25.657 3.179 -3.386
603 HD1 HIS 70 HD1 HIS 70 24.763 6.382 -1.794
604 HD2 HIS 70 HD2 HIS 70 26.899 5.090 -5.116
605 HE1 HIS 70 HE1 HIS 70 26.117 8.365 -2.540
606 HE2 HIS 70 HE2 HIS 70 27.263 7.615 -4.654
607 H HIS 71 H HIS 71 24.167 5.112 -6.095
608 HA HIS 71 HA HIS 71 24.355 2.816 -7.891
609 HB2 HIS 71 HB2 HIS 71 24.241 5.791 -8.423
610 HB3 HIS 71 HB3 HIS 71 24.456 4.582 -9.686
611 HD1 HIS 71 HD1 HIS 71 21.877 6.437 -7.995
612 HD2 HIS 71 HD2 HIS 71 22.184 2.634 -9.660
613 HE1 HIS 71 HE1 HIS 71 19.515 5.648 -8.335
614 HE2 HIS 71 HE2 HIS 71 19.728 3.271 -9.147
615 H HIS 72 H HIS 72 26.159 2.644 -9.398
616 HA HIS 72 HA HIS 72 28.573 2.899 -7.804
617 HB2 HIS 72 HB2 HIS 72 28.005 1.387 -10.354
618 HB3 HIS 72 HB3 HIS 72 29.566 1.390 -9.538
619 HD1 HIS 72 HD1 HIS 72 29.900 -0.536 -8.031
620 HD2 HIS 72 HD2 HIS 72 25.873 0.439 -8.431
621 HE1 HIS 72 HE1 HIS 72 28.643 -2.236 -6.657
622 HE2 HIS 72 HE2 HIS 72 26.204 -1.754 -7.101
623 H HIS 73 H HIS 73 28.487 5.290 -8.205
624 HA HIS 73 HA HIS 73 30.748 5.918 -9.736
625 HB2 HIS 73 HB2 HIS 73 29.929 7.264 -11.510
626 HB3 HIS 73 HB3 HIS 73 29.001 5.775 -11.597
627 HD1 HIS 73 HD1 HIS 73 28.605 9.353 -11.611
628 HD2 HIS 73 HD2 HIS 73 26.327 6.123 -10.311
629 HE1 HIS 73 HE1 HIS 73 26.259 10.222 -11.393
630 HE2 HIS 73 HE2 HIS 73 24.916 8.285 -10.492
631 H HIS 74 H HIS 74 31.517 7.997 -9.273
632 HA HIS 74 HA HIS 74 29.861 9.553 -7.397
633 HB2 HIS 74 HB2 HIS 74 32.817 8.981 -7.370
634 HB3 HIS 74 HB3 HIS 74 32.158 10.396 -6.558
635 HD1 HIS 74 HD1 HIS 74 32.108 6.625 -6.408
636 HD2 HIS 74 HD2 HIS 74 30.909 9.912 -4.155
637 HE1 HIS 74 HE1 HIS 74 31.448 5.709 -4.160
638 HE2 HIS 74 HE2 HIS 74 30.909 7.737 -2.760
Start of MODEL 9
1 H1 MET 1 H1 MET 1 -24.566 -9.748 -0.429
2 H2 MET 1 H2 MET 1 -23.990 -8.708 0.782
3 H3 MET 1 H3 MET 1 -23.120 -10.107 0.384
4 HA MET 1 HA MET 1 -22.168 -8.016 -0.500
5 HB2 MET 1 HB2 MET 1 -21.687 -8.920 -2.714
6 HB3 MET 1 HB3 MET 1 -21.640 -10.194 -1.505
7 HG2 MET 1 HG2 MET 1 -23.839 -10.956 -2.186
8 HG3 MET 1 HG3 MET 1 -23.947 -9.645 -3.359
9 HE1 MET 1 HE1 MET 1 -23.548 -12.840 -5.605
10 HE2 MET 1 HE2 MET 1 -24.546 -11.433 -5.241
11 HE3 MET 1 HE3 MET 1 -24.405 -12.741 -4.066
12 H ASN 2 H ASN 2 -22.307 -6.337 -2.045
13 HA ASN 2 HA ASN 2 -24.903 -5.910 -3.325
14 HB2 ASN 2 HB2 ASN 2 -23.563 -3.902 -1.491
15 HB3 ASN 2 HB3 ASN 2 -24.932 -3.541 -2.534
16 HD21 ASN 2 HD21 ASN 2 -23.864 -5.123 0.361
17 HD22 ASN 2 HD22 ASN 2 -25.438 -5.438 1.014
18 H GLN 3 H GLN 3 -24.790 -4.591 -5.171
19 HA GLN 3 HA GLN 3 -22.055 -4.044 -6.101
20 HB2 GLN 3 HB2 GLN 3 -23.686 -5.380 -7.534
21 HB3 GLN 3 HB3 GLN 3 -24.592 -3.886 -7.738
22 HG2 GLN 3 HG2 GLN 3 -22.630 -2.834 -8.749
23 HG3 GLN 3 HG3 GLN 3 -21.724 -4.332 -8.546
24 HE21 GLN 3 HE21 GLN 3 -21.358 -4.552 -10.741
25 HE22 GLN 3 HE22 GLN 3 -22.607 -4.991 -11.848
26 H ASN 4 H ASN 4 -22.675 -2.415 -4.173
27 HA ASN 4 HA ASN 4 -24.134 -0.084 -4.962
28 HB2 ASN 4 HB2 ASN 4 -23.356 0.837 -2.798
29 HB3 ASN 4 HB3 ASN 4 -24.062 -0.767 -2.619
30 HD21 ASN 4 HD21 ASN 4 -21.318 1.180 -2.130
31 HD22 ASN 4 HD22 ASN 4 -20.270 -0.053 -1.510
32 H LEU 5 H LEU 5 -20.871 -1.144 -5.190
33 HA LEU 5 HA LEU 5 -19.002 -0.279 -6.140
34 HB2 LEU 5 HB2 LEU 5 -20.911 1.786 -7.242
35 HB3 LEU 5 HB3 LEU 5 -19.254 1.564 -7.769
36 HG LEU 5 HG LEU 5 -21.460 -0.481 -8.047
37 HD11 LEU 5 HD11 LEU 5 -20.161 1.319 -10.086
38 HD12 LEU 5 HD12 LEU 5 -21.827 1.405 -9.516
39 HD13 LEU 5 HD13 LEU 5 -21.287 0.010 -10.447
40 HD21 LEU 5 HD21 LEU 5 -19.857 -1.693 -9.431
41 HD22 LEU 5 HD22 LEU 5 -19.260 -1.501 -7.784
42 HD23 LEU 5 HD23 LEU 5 -18.626 -0.483 -9.076
43 H GLN 6 H GLN 6 -17.847 2.062 -6.445
44 HA GLN 6 HA GLN 6 -16.803 3.769 -5.381
45 HB2 GLN 6 HB2 GLN 6 -19.044 4.795 -5.363
46 HB3 GLN 6 HB3 GLN 6 -19.382 4.018 -3.825
47 HG2 GLN 6 HG2 GLN 6 -18.797 6.345 -3.508
48 HG3 GLN 6 HG3 GLN 6 -17.587 5.291 -2.777
49 HE21 GLN 6 HE21 GLN 6 -18.282 7.501 -5.354
50 HE22 GLN 6 HE22 GLN 6 -16.648 7.759 -5.859
51 H GLY 7 H GLY 7 -15.217 2.525 -4.450
52 HA2 GLY 7 HA2 GLY 7 -14.404 2.703 -1.994
53 HA3 GLY 7 HA3 GLY 7 -15.705 1.552 -1.728
54 H GLU 8 H GLU 8 -13.104 1.906 -4.149
55 HA GLU 8 HA GLU 8 -12.669 -0.961 -4.053
56 HB2 GLU 8 HB2 GLU 8 -12.647 0.171 -6.238
57 HB3 GLU 8 HB3 GLU 8 -11.290 1.162 -5.714
58 HG2 GLU 8 HG2 GLU 8 -9.851 -0.733 -5.599
59 HG3 GLU 8 HG3 GLU 8 -11.197 -1.840 -5.851
60 H TRP 9 H TRP 9 -11.403 1.897 -2.652
61 HA TRP 9 HA TRP 9 -8.799 1.251 -1.972
62 HB2 TRP 9 HB2 TRP 9 -10.442 3.255 -1.284
63 HB3 TRP 9 HB3 TRP 9 -10.598 2.297 0.178
64 HD1 TRP 9 HD1 TRP 9 -9.048 5.247 -0.528
65 HE1 TRP 9 HE1 TRP 9 -6.751 5.586 0.572
66 HE3 TRP 9 HE3 TRP 9 -7.892 0.365 0.548
67 HZ2 TRP 9 HZ2 TRP 9 -4.728 4.022 1.731
68 HZ3 TRP 9 HZ3 TRP 9 -5.741 -0.115 1.643
69 HH2 TRP 9 HH2 TRP 9 -4.197 1.677 2.224
70 H MET 10 H MET 10 -11.752 0.445 -0.162
71 HA MET 10 HA MET 10 -10.567 -1.150 1.794
72 HB2 MET 10 HB2 MET 10 -13.364 -1.280 0.664
73 HB3 MET 10 HB3 MET 10 -12.841 -2.122 2.114
74 HG2 MET 10 HG2 MET 10 -12.756 0.865 1.766
75 HG3 MET 10 HG3 MET 10 -14.079 -0.008 2.532
76 HE1 MET 10 HE1 MET 10 -10.604 1.596 2.940
77 HE2 MET 10 HE2 MET 10 -10.074 -0.074 2.730
78 HE3 MET 10 HE3 MET 10 -9.879 0.726 4.291
79 H LYS 11 H LYS 11 -11.658 -1.964 -1.442
80 HA LYS 11 HA LYS 11 -11.459 -4.781 -1.180
81 HB2 LYS 11 HB2 LYS 11 -12.667 -3.586 -3.028
82 HB3 LYS 11 HB3 LYS 11 -11.103 -3.138 -3.698
83 HG2 LYS 11 HG2 LYS 11 -10.737 -5.773 -3.541
84 HG3 LYS 11 HG3 LYS 11 -12.495 -5.746 -3.701
85 HD2 LYS 11 HD2 LYS 11 -11.514 -5.918 -5.894
86 HD3 LYS 11 HD3 LYS 11 -12.234 -4.317 -5.715
87 HE2 LYS 11 HE2 LYS 11 -10.064 -3.354 -5.251
88 HE3 LYS 11 HE3 LYS 11 -9.313 -4.947 -5.305
89 HZ1 LYS 11 HZ1 LYS 11 -8.912 -3.859 -7.359
90 HZ2 LYS 11 HZ2 LYS 11 -10.544 -3.464 -7.564
91 HZ3 LYS 11 HZ3 LYS 11 -10.042 -5.081 -7.660
92 H ASN 12 H ASN 12 -9.255 -2.353 -2.569
93 HA ASN 12 HA ASN 12 -7.158 -4.127 -3.164
94 HB2 ASN 12 HB2 ASN 12 -7.190 -1.149 -2.662
95 HB3 ASN 12 HB3 ASN 12 -5.742 -2.020 -3.143
96 HD21 ASN 12 HD21 ASN 12 -7.151 0.095 -4.521
97 HD22 ASN 12 HD22 ASN 12 -7.580 -0.541 -6.071
98 H TYR 13 H TYR 13 -7.963 -2.309 -0.265
99 HA TYR 13 HA TYR 13 -5.597 -2.692 1.166
100 HB2 TYR 13 HB2 TYR 13 -7.387 -1.185 1.929
101 HB3 TYR 13 HB3 TYR 13 -8.424 -2.573 2.245
102 HD1 TYR 13 HD2 TYR 13 -5.111 -1.143 3.203
103 HD2 TYR 13 HD1 TYR 13 -8.435 -3.530 4.378
104 HE1 TYR 13 HE2 TYR 13 -4.182 -1.309 5.472
105 HE2 TYR 13 HE1 TYR 13 -7.510 -3.703 6.652
106 HH TYR 13 HH TYR 13 -4.903 -1.748 7.722
107 H GLU 14 H GLU 14 -8.545 -4.698 1.085
108 HA GLU 14 HA GLU 14 -7.593 -6.679 2.851
109 HB2 GLU 14 HB2 GLU 14 -9.761 -6.672 0.763
110 HB3 GLU 14 HB3 GLU 14 -9.384 -8.116 1.696
111 HG2 GLU 14 HG2 GLU 14 -10.221 -5.459 2.842
112 HG3 GLU 14 HG3 GLU 14 -11.258 -6.873 2.646
113 H GLU 15 H GLU 15 -7.330 -6.308 -0.638
114 HA GLU 15 HA GLU 15 -6.269 -8.926 -1.065
115 HB2 GLU 15 HB2 GLU 15 -6.120 -6.482 -2.848
116 HB3 GLU 15 HB3 GLU 15 -5.723 -8.127 -3.333
117 HG2 GLU 15 HG2 GLU 15 -8.101 -8.732 -2.681
118 HG3 GLU 15 HG3 GLU 15 -8.406 -6.999 -2.607
119 H LEU 16 H LEU 16 -4.869 -5.761 -0.410
120 HA LEU 16 HA LEU 16 -2.161 -6.571 -0.917
121 HB2 LEU 16 HB2 LEU 16 -2.891 -4.179 -0.947
122 HB3 LEU 16 HB3 LEU 16 -3.182 -4.283 0.777
123 HG LEU 16 HG LEU 16 -0.819 -4.654 1.207
124 HD11 LEU 16 HD11 LEU 16 -0.272 -5.897 -0.822
125 HD12 LEU 16 HD12 LEU 16 0.827 -4.539 -0.590
126 HD13 LEU 16 HD13 LEU 16 -0.469 -4.428 -1.780
127 HD21 LEU 16 HD21 LEU 16 0.041 -2.474 0.480
128 HD22 LEU 16 HD22 LEU 16 -1.598 -2.363 1.121
129 HD23 LEU 16 HD23 LEU 16 -1.329 -2.314 -0.620
130 H LYS 17 H LYS 17 -4.223 -6.165 1.856
131 HA LYS 17 HA LYS 17 -2.637 -6.932 3.964
132 HB2 LYS 17 HB2 LYS 17 -4.837 -6.109 4.273
133 HB3 LYS 17 HB3 LYS 17 -5.537 -7.389 3.307
134 HG2 LYS 17 HG2 LYS 17 -4.869 -9.002 5.044
135 HG3 LYS 17 HG3 LYS 17 -4.320 -7.647 6.036
136 HD2 LYS 17 HD2 LYS 17 -6.525 -6.732 6.138
137 HD3 LYS 17 HD3 LYS 17 -7.114 -7.877 4.934
138 HE2 LYS 17 HE2 LYS 17 -6.587 -9.712 6.533
139 HE3 LYS 17 HE3 LYS 17 -6.220 -8.482 7.744
140 HZ1 LYS 17 HZ1 LYS 17 -8.469 -7.669 7.580
141 HZ2 LYS 17 HZ2 LYS 17 -8.495 -9.332 7.921
142 HZ3 LYS 17 HZ3 LYS 17 -8.827 -8.782 6.354
143 H SER 18 H SER 18 -4.582 -9.003 1.832
144 HA SER 18 HA SER 18 -3.835 -11.457 2.975
145 HB2 SER 18 HB2 SER 18 -5.782 -11.164 1.471
146 HB3 SER 18 HB3 SER 18 -4.684 -10.896 0.120
147 HG SER 18 HG SER 18 -4.330 -13.234 1.615
148 H PHE 19 H PHE 19 -2.337 -9.466 0.475
149 HA PHE 19 HA PHE 19 -0.562 -11.541 -0.382
150 HB2 PHE 19 HB2 PHE 19 -1.155 -8.786 -1.138
151 HB3 PHE 19 HB3 PHE 19 0.551 -9.186 -1.262
152 HD1 PHE 19 HD1 PHE 19 -2.826 -10.090 -2.399
153 HD2 PHE 19 HD2 PHE 19 1.356 -10.633 -2.969
154 HE1 PHE 19 HE1 PHE 19 -3.269 -11.232 -4.536
155 HE2 PHE 19 HE2 PHE 19 0.921 -11.776 -5.101
156 HZ PHE 19 HZ PHE 19 -1.396 -12.079 -5.889
157 H VAL 20 H VAL 20 -0.275 -8.700 1.712
158 HA VAL 20 HA VAL 20 2.449 -9.031 2.345
159 HB VAL 20 HB VAL 20 0.199 -7.787 3.931
160 HG11 VAL 20 HG11 VAL 20 1.934 -6.746 5.322
161 HG12 VAL 20 HG12 VAL 20 3.160 -7.711 4.502
162 HG13 VAL 20 HG13 VAL 20 1.928 -8.501 5.484
163 HG21 VAL 20 HG21 VAL 20 2.432 -6.586 2.298
164 HG22 VAL 20 HG22 VAL 20 1.239 -5.677 3.227
165 HG23 VAL 20 HG23 VAL 20 0.728 -6.651 1.848
166 H ARG 21 H ARG 21 -0.475 -10.507 3.641
167 HA ARG 21 HA ARG 21 0.822 -11.905 5.758
168 HB2 ARG 21 HB2 ARG 21 -1.618 -11.481 5.680
169 HB3 ARG 21 HB3 ARG 21 -1.748 -12.565 4.304
170 HG2 ARG 21 HG2 ARG 21 -2.443 -13.626 6.398
171 HG3 ARG 21 HG3 ARG 21 -1.057 -14.439 5.668
172 HD2 ARG 21 HD2 ARG 21 0.444 -13.404 7.219
173 HD3 ARG 21 HD3 ARG 21 -0.841 -12.376 7.849
174 HE ARG 21 HE ARG 21 -1.888 -14.575 8.581
175 HH11 ARG 21 HH11 ARG 21 1.571 -14.109 8.301
176 HH12 ARG 21 HH12 ARG 21 1.960 -15.233 9.561
177 HH21 ARG 21 HH21 ARG 21 -1.386 -16.058 10.249
178 HH22 ARG 21 HH22 ARG 21 0.281 -16.340 10.677
179 H LYS 22 H LYS 22 0.066 -12.621 2.408
180 HA LYS 22 HA LYS 22 0.701 -15.346 2.390
181 HB2 LYS 22 HB2 LYS 22 0.385 -13.200 0.346
182 HB3 LYS 22 HB3 LYS 22 1.076 -14.731 -0.138
183 HG2 LYS 22 HG2 LYS 22 -0.887 -15.909 0.405
184 HG3 LYS 22 HG3 LYS 22 -1.549 -14.530 1.285
185 HD2 LYS 22 HD2 LYS 22 -1.838 -13.288 -0.737
186 HD3 LYS 22 HD3 LYS 22 -0.951 -14.498 -1.666
187 HE2 LYS 22 HE2 LYS 22 -3.498 -15.113 -0.195
188 HE3 LYS 22 HE3 LYS 22 -3.472 -14.555 -1.868
189 HZ1 LYS 22 HZ1 LYS 22 -3.574 -16.961 -1.745
190 HZ2 LYS 22 HZ2 LYS 22 -2.138 -17.007 -0.844
191 HZ3 LYS 22 HZ3 LYS 22 -2.117 -16.463 -2.451
192 H TYR 23 H TYR 23 2.647 -12.594 1.157
193 HA TYR 23 HA TYR 23 4.982 -14.391 1.299
194 HB2 TYR 23 HB2 TYR 23 4.209 -12.456 -0.880
195 HB3 TYR 23 HB3 TYR 23 5.830 -13.123 -0.730
196 HD1 TYR 23 HD2 TYR 23 6.240 -15.502 -1.158
197 HD2 TYR 23 HD1 TYR 23 2.370 -13.815 -1.668
198 HE1 TYR 23 HE2 TYR 23 5.555 -17.483 -2.446
199 HE2 TYR 23 HE1 TYR 23 1.674 -15.791 -2.957
200 HH TYR 23 HH TYR 23 2.727 -17.583 -4.307
201 H ARG 24 H ARG 24 3.668 -11.581 2.459
202 HA ARG 24 HA ARG 24 4.445 -9.726 3.498
203 HB2 ARG 24 HB2 ARG 24 6.697 -11.619 3.757
204 HB3 ARG 24 HB3 ARG 24 7.124 -9.923 3.934
205 HG2 ARG 24 HG2 ARG 24 4.880 -11.197 5.475
206 HG3 ARG 24 HG3 ARG 24 6.549 -11.162 6.056
207 HD2 ARG 24 HD2 ARG 24 4.867 -8.763 5.337
208 HD3 ARG 24 HD3 ARG 24 5.247 -9.307 6.974
209 HE ARG 24 HE ARG 24 7.505 -8.714 5.225
210 HH11 ARG 24 HH11 ARG 24 5.447 -7.621 7.853
211 HH12 ARG 24 HH12 ARG 24 6.570 -6.411 8.383
212 HH21 ARG 24 HH21 ARG 24 8.984 -7.170 5.937
213 HH22 ARG 24 HH22 ARG 24 8.617 -6.166 7.312
214 H ARG 25 H ARG 25 4.241 -8.109 2.098
215 HA ARG 25 HA ARG 25 4.625 -6.622 0.438
216 HB2 ARG 25 HB2 ARG 25 6.820 -6.404 1.571
217 HB3 ARG 25 HB3 ARG 25 7.449 -7.695 0.565
218 HG2 ARG 25 HG2 ARG 25 7.208 -6.330 -1.406
219 HG3 ARG 25 HG3 ARG 25 6.471 -5.036 -0.447
220 HD2 ARG 25 HD2 ARG 25 8.457 -4.696 0.780
221 HD3 ARG 25 HD3 ARG 25 9.176 -6.173 0.149
222 HE ARG 25 HE ARG 25 8.594 -4.405 -1.982
223 HH11 ARG 25 HH11 ARG 25 10.821 -4.797 0.695
224 HH12 ARG 25 HH12 ARG 25 12.111 -3.931 -0.076
225 HH21 ARG 25 HH21 ARG 25 10.303 -3.272 -3.006
226 HH22 ARG 25 HH22 ARG 25 11.820 -3.084 -2.189
227 H PHE 26 H PHE 26 5.442 -6.570 -1.961
228 HA PHE 26 HA PHE 26 4.274 -8.822 -3.269
229 HB2 PHE 26 HB2 PHE 26 5.891 -6.582 -4.508
230 HB3 PHE 26 HB3 PHE 26 4.759 -7.646 -5.335
231 HD1 PHE 26 HD2 PHE 26 2.328 -7.633 -4.123
232 HD2 PHE 26 HD1 PHE 26 5.170 -4.470 -4.117
233 HE1 PHE 26 HE2 PHE 26 0.526 -6.018 -3.701
234 HE2 PHE 26 HE1 PHE 26 3.369 -2.848 -3.694
235 HZ PHE 26 HZ PHE 26 1.043 -3.622 -3.490
236 HA PRO 27 HA PRO 27 7.961 -11.282 -4.084
237 HB2 PRO 27 HB2 PRO 27 6.793 -11.771 -6.759
238 HB3 PRO 27 HB3 PRO 27 7.250 -12.929 -5.505
239 HG2 PRO 27 HG2 PRO 27 4.678 -12.405 -6.045
240 HG3 PRO 27 HG3 PRO 27 5.233 -12.732 -4.393
241 HD2 PRO 27 HD2 PRO 27 4.556 -10.118 -5.688
242 HD3 PRO 27 HD3 PRO 27 4.224 -10.682 -4.036
243 H LYS 28 H LYS 28 9.436 -9.614 -4.223
244 HA LYS 28 HA LYS 28 10.791 -8.015 -5.059
245 HB2 LYS 28 HB2 LYS 28 10.854 -9.928 -6.961
246 HB3 LYS 28 HB3 LYS 28 10.172 -8.611 -7.905
247 HG2 LYS 28 HG2 LYS 28 12.733 -8.428 -6.333
248 HG3 LYS 28 HG3 LYS 28 12.639 -8.793 -8.055
249 HD2 LYS 28 HD2 LYS 28 11.720 -6.647 -8.535
250 HD3 LYS 28 HD3 LYS 28 11.493 -6.296 -6.822
251 HE2 LYS 28 HE2 LYS 28 13.436 -5.125 -7.760
252 HE3 LYS 28 HE3 LYS 28 13.890 -6.245 -6.479
253 HZ1 LYS 28 HZ1 LYS 28 14.139 -6.745 -9.402
254 HZ2 LYS 28 HZ2 LYS 28 14.565 -7.837 -8.175
255 HZ3 LYS 28 HZ3 LYS 28 15.412 -6.382 -8.339
256 H SER 29 H SER 29 8.338 -8.093 -7.644
257 HA SER 29 HA SER 29 6.787 -5.960 -6.696
258 HB2 SER 29 HB2 SER 29 7.547 -4.245 -8.453
259 HB3 SER 29 HB3 SER 29 8.584 -4.455 -7.041
260 HG SER 29 HG SER 29 9.293 -6.198 -8.961
261 H THR 30 H THR 30 6.934 -8.567 -8.345
262 HA THR 30 HA THR 30 5.820 -7.695 -10.890
263 HB THR 30 HB THR 30 5.950 -10.191 -11.404
264 HG1 THR 30 HG1 THR 30 6.168 -11.178 -9.465
265 HG21 THR 30 HG21 THR 30 8.469 -8.668 -10.724
266 HG22 THR 30 HG22 THR 30 7.596 -8.622 -12.257
267 HG23 THR 30 HG23 THR 30 8.398 -10.107 -11.741
268 H GLU 31 H GLU 31 3.984 -7.043 -9.118
269 HA GLU 31 HA GLU 31 2.034 -9.242 -8.989
270 HB2 GLU 31 HB2 GLU 31 2.709 -7.382 -7.100
271 HB3 GLU 31 HB3 GLU 31 1.318 -6.611 -7.842
272 HG2 GLU 31 HG2 GLU 31 1.396 -9.336 -6.562
273 HG3 GLU 31 HG3 GLU 31 0.634 -7.887 -5.915
274 H GLY 32 H GLY 32 -0.140 -8.883 -9.764
275 HA2 GLY 32 HA2 GLY 32 -0.162 -7.264 -12.190
276 HA3 GLY 32 HA3 GLY 32 -1.377 -8.433 -11.704
277 H ASN 33 H ASN 33 -2.773 -7.801 -9.869
278 HA ASN 33 HA ASN 33 -4.033 -5.340 -10.423
279 HB2 ASN 33 HB2 ASN 33 -4.351 -7.237 -8.089
280 HB3 ASN 33 HB3 ASN 33 -5.376 -5.832 -8.344
281 HD21 ASN 33 HD21 ASN 33 -7.221 -7.087 -8.539
282 HD22 ASN 33 HD22 ASN 33 -7.537 -8.060 -9.939
283 H LEU 34 H LEU 34 -2.236 -6.419 -7.554
284 HA LEU 34 HA LEU 34 -2.296 -3.824 -6.339
285 HB2 LEU 34 HB2 LEU 34 -0.694 -6.306 -5.744
286 HB3 LEU 34 HB3 LEU 34 -0.669 -4.863 -4.753
287 HG LEU 34 HG LEU 34 -3.112 -6.561 -5.281
288 HD11 LEU 34 HD11 LEU 34 -1.507 -7.762 -3.932
289 HD12 LEU 34 HD12 LEU 34 -2.861 -7.238 -2.933
290 HD13 LEU 34 HD13 LEU 34 -1.326 -6.374 -2.862
291 HD21 LEU 34 HD21 LEU 34 -4.113 -5.240 -3.464
292 HD22 LEU 34 HD22 LEU 34 -3.699 -4.246 -4.861
293 HD23 LEU 34 HD23 LEU 34 -2.672 -4.222 -3.425
294 H GLY 35 H GLY 35 -0.216 -5.524 -8.490
295 HA2 GLY 35 HA2 GLY 35 2.159 -4.062 -8.242
296 HA3 GLY 35 HA3 GLY 35 1.602 -4.849 -9.713
297 H GLY 36 H GLY 36 -0.791 -3.379 -10.066
298 HA2 GLY 36 HA2 GLY 36 0.259 -0.975 -11.231
299 HA3 GLY 36 HA3 GLY 36 -1.429 -1.475 -11.214
300 H TRP 37 H TRP 37 -1.519 -1.786 -8.339
301 HA TRP 37 HA TRP 37 -2.373 0.804 -7.628
302 HB2 TRP 37 HB2 TRP 37 -2.997 -1.566 -6.670
303 HB3 TRP 37 HB3 TRP 37 -1.672 -1.247 -5.558
304 HD1 TRP 37 HD1 TRP 37 -4.726 0.816 -6.791
305 HE1 TRP 37 HE1 TRP 37 -5.809 1.935 -4.747
306 HE3 TRP 37 HE3 TRP 37 -1.586 -0.920 -3.143
307 HZ2 TRP 37 HZ2 TRP 37 -5.395 2.064 -1.961
308 HZ3 TRP 37 HZ3 TRP 37 -2.007 -0.256 -0.817
309 HH2 TRP 37 HH2 TRP 37 -3.872 1.207 -0.240
310 H CYS 38 H CYS 38 0.510 -1.065 -6.698
311 HA CYS 38 HA CYS 38 1.576 1.006 -5.062
312 HB2 CYS 38 HB2 CYS 38 3.659 -0.369 -5.105
313 HB3 CYS 38 HB3 CYS 38 2.223 -1.256 -4.607
314 HG CYS 38 HG CYS 38 2.014 -2.849 -6.722
315 H HIS 39 H HIS 39 1.879 0.184 -8.453
316 HA HIS 39 HA HIS 39 4.121 1.636 -9.190
317 HB2 HIS 39 HB2 HIS 39 1.705 0.671 -10.536
318 HB3 HIS 39 HB3 HIS 39 2.376 2.122 -11.273
319 HD1 HIS 39 HD1 HIS 39 2.980 -1.515 -10.842
320 HD2 HIS 39 HD2 HIS 39 4.951 1.791 -12.407
321 HE1 HIS 39 HE1 HIS 39 4.857 -2.442 -12.238
322 HE2 HIS 39 HE2 HIS 39 6.096 -0.422 -13.100
323 H THR 40 H THR 40 0.840 2.755 -8.597
324 HA THR 40 HA THR 40 1.314 5.462 -9.367
325 HB THR 40 HB THR 40 -0.862 4.244 -7.649
326 HG1 THR 40 HG1 THR 40 -1.815 3.768 -9.486
327 HG21 THR 40 HG21 THR 40 -2.147 6.279 -8.175
328 HG22 THR 40 HG22 THR 40 -0.724 6.964 -8.962
329 HG23 THR 40 HG23 THR 40 -0.703 6.635 -7.228
330 H GLN 41 H GLN 41 1.479 3.685 -6.327
331 HA GLN 41 HA GLN 41 1.615 6.133 -4.806
332 HB2 GLN 41 HB2 GLN 41 1.450 3.249 -4.067
333 HB3 GLN 41 HB3 GLN 41 1.812 4.490 -2.865
334 HG2 GLN 41 HG2 GLN 41 -0.235 5.524 -3.118
335 HG3 GLN 41 HG3 GLN 41 -0.511 4.806 -4.703
336 HE21 GLN 41 HE21 GLN 41 -1.163 2.695 -4.847
337 HE22 GLN 41 HE22 GLN 41 -1.907 1.897 -3.517
338 H ARG 42 H ARG 42 3.880 3.823 -6.066
339 HA ARG 42 HA ARG 42 5.997 4.483 -4.311
340 HB2 ARG 42 HB2 ARG 42 7.512 3.572 -6.027
341 HB3 ARG 42 HB3 ARG 42 6.177 2.492 -5.668
342 HG2 ARG 42 HG2 ARG 42 6.384 2.345 -7.964
343 HG3 ARG 42 HG3 ARG 42 5.078 3.512 -7.764
344 HD2 ARG 42 HD2 ARG 42 6.810 4.104 -9.490
345 HD3 ARG 42 HD3 ARG 42 6.507 5.333 -8.263
346 HE ARG 42 HE ARG 42 8.613 3.889 -7.277
347 HH11 ARG 42 HH11 ARG 42 8.009 5.518 -10.319
348 HH12 ARG 42 HH12 ARG 42 9.661 6.022 -10.527
349 HH21 ARG 42 HH21 ARG 42 10.788 4.579 -7.521
350 HH22 ARG 42 HH22 ARG 42 11.245 5.495 -8.929
351 H LYS 43 H LYS 43 4.622 6.035 -7.091
352 HA LYS 43 HA LYS 43 6.606 8.032 -7.466
353 HB2 LYS 43 HB2 LYS 43 3.624 8.258 -7.914
354 HB3 LYS 43 HB3 LYS 43 4.865 9.282 -8.612
355 HG2 LYS 43 HG2 LYS 43 5.492 7.719 -10.149
356 HG3 LYS 43 HG3 LYS 43 4.972 6.364 -9.140
357 HD2 LYS 43 HD2 LYS 43 3.529 6.756 -11.129
358 HD3 LYS 43 HD3 LYS 43 2.667 6.828 -9.595
359 HE2 LYS 43 HE2 LYS 43 1.906 8.625 -10.983
360 HE3 LYS 43 HE3 LYS 43 2.860 9.301 -9.669
361 HZ1 LYS 43 HZ1 LYS 43 4.073 8.730 -12.303
362 HZ2 LYS 43 HZ2 LYS 43 4.622 9.777 -11.088
363 HZ3 LYS 43 HZ3 LYS 43 3.259 10.185 -12.007
364 H MET 44 H MET 44 3.557 7.931 -5.686
365 HA MET 44 HA MET 44 3.568 10.469 -4.572
366 HB2 MET 44 HB2 MET 44 2.542 7.981 -3.199
367 HB3 MET 44 HB3 MET 44 2.001 9.628 -2.941
368 HG2 MET 44 HG2 MET 44 1.671 8.144 -5.530
369 HG3 MET 44 HG3 MET 44 0.453 8.196 -4.261
370 HE1 MET 44 HE1 MET 44 1.829 9.824 -7.413
371 HE2 MET 44 HE2 MET 44 2.806 10.725 -6.253
372 HE3 MET 44 HE3 MET 44 1.562 11.554 -7.187
373 H ARG 45 H ARG 45 5.153 7.515 -3.460
374 HA ARG 45 HA ARG 45 6.022 8.678 -0.985
375 HB2 ARG 45 HB2 ARG 45 5.624 6.246 -1.248
376 HB3 ARG 45 HB3 ARG 45 6.984 6.155 -2.356
377 HG2 ARG 45 HG2 ARG 45 7.520 7.324 0.303
378 HG3 ARG 45 HG3 ARG 45 7.167 5.599 0.249
379 HD2 ARG 45 HD2 ARG 45 9.224 6.894 -1.518
380 HD3 ARG 45 HD3 ARG 45 9.608 6.259 0.081
381 HE ARG 45 HE ARG 45 8.269 4.330 -1.538
382 HH11 ARG 45 HH11 ARG 45 11.385 5.834 -1.033
383 HH12 ARG 45 HH12 ARG 45 12.294 4.437 -1.526
384 HH21 ARG 45 HH21 ARG 45 9.469 2.485 -2.203
385 HH22 ARG 45 HH22 ARG 45 11.201 2.536 -2.163
386 H LYS 46 H LYS 46 7.502 8.041 -4.134
387 HA LYS 46 HA LYS 46 10.123 8.848 -3.440
388 HB2 LYS 46 HB2 LYS 46 9.271 7.540 -5.514
389 HB3 LYS 46 HB3 LYS 46 8.938 9.122 -6.199
390 HG2 LYS 46 HG2 LYS 46 11.658 8.363 -5.177
391 HG3 LYS 46 HG3 LYS 46 11.136 8.004 -6.823
392 HD2 LYS 46 HD2 LYS 46 11.251 10.752 -5.571
393 HD3 LYS 46 HD3 LYS 46 12.441 10.084 -6.691
394 HE2 LYS 46 HE2 LYS 46 10.677 9.879 -8.402
395 HE3 LYS 46 HE3 LYS 46 9.527 10.608 -7.280
396 HZ1 LYS 46 HZ1 LYS 46 10.967 12.594 -7.228
397 HZ2 LYS 46 HZ2 LYS 46 10.342 12.276 -8.773
398 HZ3 LYS 46 HZ3 LYS 46 11.955 11.892 -8.414
399 H GLN 47 H GLN 47 7.326 10.548 -4.756
400 HA GLN 47 HA GLN 47 8.596 13.065 -5.068
401 HB2 GLN 47 HB2 GLN 47 6.396 12.145 -6.087
402 HB3 GLN 47 HB3 GLN 47 5.654 12.675 -4.585
403 HG2 GLN 47 HG2 GLN 47 5.342 14.365 -6.224
404 HG3 GLN 47 HG3 GLN 47 6.501 14.954 -5.033
405 HE21 GLN 47 HE21 GLN 47 6.058 13.815 -8.291
406 HE22 GLN 47 HE22 GLN 47 7.581 14.359 -8.904
407 H GLY 48 H GLY 48 7.067 11.405 -2.425
408 HA2 GLY 48 HA2 GLY 48 7.325 11.893 -0.158
409 HA3 GLY 48 HA3 GLY 48 7.969 13.468 -0.595
410 H LYS 49 H LYS 49 4.920 12.089 -1.708
411 HA LYS 49 HA LYS 49 3.524 14.210 -0.209
412 HB2 LYS 49 HB2 LYS 49 1.947 14.380 -2.107
413 HB3 LYS 49 HB3 LYS 49 3.580 14.884 -2.509
414 HG2 LYS 49 HG2 LYS 49 3.971 12.973 -3.802
415 HG3 LYS 49 HG3 LYS 49 2.593 12.117 -3.106
416 HD2 LYS 49 HD2 LYS 49 2.349 14.603 -4.793
417 HD3 LYS 49 HD3 LYS 49 2.229 12.963 -5.434
418 HE2 LYS 49 HE2 LYS 49 0.330 12.516 -3.979
419 HE3 LYS 49 HE3 LYS 49 0.468 14.127 -3.277
420 HZ1 LYS 49 HZ1 LYS 49 -1.255 13.774 -5.083
421 HZ2 LYS 49 HZ2 LYS 49 0.041 13.731 -6.177
422 HZ3 LYS 49 HZ3 LYS 49 -0.239 15.120 -5.242
423 H LEU 50 H LEU 50 3.907 11.011 -0.394
424 HA LEU 50 HA LEU 50 1.288 9.975 -0.387
425 HB2 LEU 50 HB2 LEU 50 3.961 9.056 0.304
426 HB3 LEU 50 HB3 LEU 50 2.760 8.405 1.392
427 HG LEU 50 HG LEU 50 2.882 8.059 -1.603
428 HD11 LEU 50 HD11 LEU 50 3.151 5.689 -1.023
429 HD12 LEU 50 HD12 LEU 50 3.168 6.122 0.687
430 HD13 LEU 50 HD13 LEU 50 4.455 6.685 -0.379
431 HD21 LEU 50 HD21 LEU 50 0.930 6.619 -1.377
432 HD22 LEU 50 HD22 LEU 50 0.555 8.274 -0.895
433 HD23 LEU 50 HD23 LEU 50 0.811 7.034 0.332
434 HA PRO 51 HA PRO 51 -0.125 11.435 3.595
435 HB2 PRO 51 HB2 PRO 51 -2.311 9.873 3.836
436 HB3 PRO 51 HB3 PRO 51 -2.248 11.236 2.711
437 HG2 PRO 51 HG2 PRO 51 -1.865 8.316 2.177
438 HG3 PRO 51 HG3 PRO 51 -2.787 9.513 1.247
439 HD2 PRO 51 HD2 PRO 51 -0.286 8.705 0.557
440 HD3 PRO 51 HD3 PRO 51 -0.907 10.329 0.206
441 H ASN 52 H ASN 52 0.341 10.880 5.617
442 HA ASN 52 HA ASN 52 1.795 8.489 6.101
443 HB2 ASN 52 HB2 ASN 52 2.055 9.278 8.381
444 HB3 ASN 52 HB3 ASN 52 2.337 10.594 7.253
445 HD21 ASN 52 HD21 ASN 52 1.573 10.560 10.092
446 HD22 ASN 52 HD22 ASN 52 0.134 11.516 10.183
447 H ASP 53 H ASP 53 -1.521 9.395 6.553
448 HA ASP 53 HA ASP 53 -2.239 7.389 8.413
449 HB2 ASP 53 HB2 ASP 53 -3.831 8.857 6.319
450 HB3 ASP 53 HB3 ASP 53 -4.562 7.633 7.353
451 H ARG 54 H ARG 54 -2.509 7.412 4.861
452 HA ARG 54 HA ARG 54 -3.203 4.703 4.592
453 HB2 ARG 54 HB2 ARG 54 -3.619 5.929 2.679
454 HB3 ARG 54 HB3 ARG 54 -2.099 6.803 2.778
455 HG2 ARG 54 HG2 ARG 54 -0.929 5.176 1.684
456 HG3 ARG 54 HG3 ARG 54 -2.007 3.888 2.223
457 HD2 ARG 54 HD2 ARG 54 -2.075 4.573 -0.257
458 HD3 ARG 54 HD3 ARG 54 -3.594 4.367 0.608
459 HE ARG 54 HE ARG 54 -3.518 6.886 0.879
460 HH11 ARG 54 HH11 ARG 54 -2.050 5.236 -1.833
461 HH12 ARG 54 HH12 ARG 54 -2.263 6.573 -2.921
462 HH21 ARG 54 HH21 ARG 54 -3.815 8.647 -0.555
463 HH22 ARG 54 HH22 ARG 54 -3.255 8.509 -2.200
464 H ARG 55 H ARG 55 -0.078 6.343 4.509
465 HA ARG 55 HA ARG 55 1.633 4.199 4.186
466 HB2 ARG 55 HB2 ARG 55 2.501 6.421 4.208
467 HB3 ARG 55 HB3 ARG 55 1.886 6.723 5.825
468 HG2 ARG 55 HG2 ARG 55 3.837 4.523 5.559
469 HG3 ARG 55 HG3 ARG 55 4.446 6.157 5.290
470 HD2 ARG 55 HD2 ARG 55 3.567 6.844 7.462
471 HD3 ARG 55 HD3 ARG 55 2.934 5.226 7.734
472 HE ARG 55 HE ARG 55 5.808 5.897 7.546
473 HH11 ARG 55 HH11 ARG 55 3.197 3.912 8.768
474 HH12 ARG 55 HH12 ARG 55 4.224 2.928 9.765
475 HH21 ARG 55 HH21 ARG 55 7.170 4.640 8.917
476 HH22 ARG 55 HH22 ARG 55 6.475 3.368 9.874
477 H LEU 56 H LEU 56 0.018 5.290 7.144
478 HA LEU 56 HA LEU 56 1.272 3.413 8.871
479 HB2 LEU 56 HB2 LEU 56 0.052 5.577 9.486
480 HB3 LEU 56 HB3 LEU 56 -1.436 4.681 9.278
481 HG LEU 56 HG LEU 56 -0.637 4.955 11.651
482 HD11 LEU 56 HD11 LEU 56 -1.154 2.652 12.316
483 HD12 LEU 56 HD12 LEU 56 -0.991 2.139 10.635
484 HD13 LEU 56 HD13 LEU 56 -2.274 3.259 11.095
485 HD21 LEU 56 HD21 LEU 56 1.455 2.978 10.762
486 HD22 LEU 56 HD22 LEU 56 1.138 3.462 12.428
487 HD23 LEU 56 HD23 LEU 56 1.741 4.643 11.265
488 H LEU 57 H LEU 57 -1.812 3.449 7.115
489 HA LEU 57 HA LEU 57 -2.934 1.110 8.110
490 HB2 LEU 57 HB2 LEU 57 -3.128 2.155 5.284
491 HB3 LEU 57 HB3 LEU 57 -4.230 1.016 6.035
492 HG LEU 57 HG LEU 57 -3.839 3.895 6.867
493 HD11 LEU 57 HD11 LEU 57 -6.117 2.555 5.420
494 HD12 LEU 57 HD12 LEU 57 -4.968 3.697 4.725
495 HD13 LEU 57 HD13 LEU 57 -6.088 4.227 5.978
496 HD21 LEU 57 HD21 LEU 57 -4.420 2.494 8.766
497 HD22 LEU 57 HD22 LEU 57 -5.774 1.805 7.868
498 HD23 LEU 57 HD23 LEU 57 -5.785 3.514 8.309
499 H LEU 58 H LEU 58 -0.772 1.518 5.330
500 HA LEU 58 HA LEU 58 -0.756 -1.249 4.649
501 HB2 LEU 58 HB2 LEU 58 1.285 0.840 3.894
502 HB3 LEU 58 HB3 LEU 58 0.968 -0.674 3.068
503 HG LEU 58 HG LEU 58 -0.856 1.728 3.198
504 HD11 LEU 58 HD11 LEU 58 -0.515 1.773 0.771
505 HD12 LEU 58 HD12 LEU 58 0.611 0.424 0.911
506 HD13 LEU 58 HD13 LEU 58 1.001 1.976 1.652
507 HD21 LEU 58 HD21 LEU 58 -2.359 0.469 1.739
508 HD22 LEU 58 HD22 LEU 58 -2.168 -0.327 3.302
509 HD23 LEU 58 HD23 LEU 58 -1.318 -0.947 1.884
510 H ASP 59 H ASP 59 1.330 0.829 6.573
511 HA ASP 59 HA ASP 59 3.396 -1.085 6.962
512 HB2 ASP 59 HB2 ASP 59 3.782 1.310 7.239
513 HB3 ASP 59 HB3 ASP 59 2.636 1.362 8.572
514 H LYS 60 H LYS 60 0.301 -0.581 8.415
515 HA LYS 60 HA LYS 60 0.804 -1.782 10.918
516 HB2 LYS 60 HB2 LYS 60 -1.016 -0.188 10.409
517 HB3 LYS 60 HB3 LYS 60 -1.770 -1.398 9.387
518 HG2 LYS 60 HG2 LYS 60 -1.361 -2.600 11.887
519 HG3 LYS 60 HG3 LYS 60 -2.029 -0.990 12.185
520 HD2 LYS 60 HD2 LYS 60 -3.911 -2.307 11.893
521 HD3 LYS 60 HD3 LYS 60 -3.688 -1.576 10.312
522 HE2 LYS 60 HE2 LYS 60 -4.101 -3.821 9.844
523 HE3 LYS 60 HE3 LYS 60 -2.353 -3.669 9.736
524 HZ1 LYS 60 HZ1 LYS 60 -2.144 -4.583 11.948
525 HZ2 LYS 60 HZ2 LYS 60 -3.025 -5.651 10.967
526 HZ3 LYS 60 HZ3 LYS 60 -3.829 -4.684 12.108
527 H ILE 61 H ILE 61 -0.546 -2.955 7.839
528 HA ILE 61 HA ILE 61 -0.920 -5.620 8.813
529 HB ILE 61 HB ILE 61 -1.129 -6.228 6.365
530 HG12 ILE 61 HG12 ILE 61 -1.002 -3.225 6.021
531 HG13 ILE 61 HG13 ILE 61 0.218 -4.364 5.462
532 HG21 ILE 61 HG21 ILE 61 -2.936 -4.054 7.404
533 HG22 ILE 61 HG22 ILE 61 -3.048 -5.768 7.799
534 HG23 ILE 61 HG23 ILE 61 -3.332 -5.228 6.146
535 HD11 ILE 61 HD11 ILE 61 -1.445 -5.376 3.966
536 HD12 ILE 61 HD12 ILE 61 -1.183 -3.664 3.632
537 HD13 ILE 61 HD13 ILE 61 -2.628 -4.183 4.502
538 H GLY 62 H GLY 62 1.641 -3.914 7.104
539 HA2 GLY 62 HA2 GLY 62 3.844 -4.779 8.035
540 HA3 GLY 62 HA3 GLY 62 3.310 -6.326 7.400
541 H PHE 63 H PHE 63 2.794 -3.265 5.741
542 HA PHE 63 HA PHE 63 4.423 -4.253 3.553
543 HB2 PHE 63 HB2 PHE 63 2.157 -3.070 3.272
544 HB3 PHE 63 HB3 PHE 63 3.020 -1.583 3.654
545 HD1 PHE 63 HD1 PHE 63 2.910 -4.433 1.308
546 HD2 PHE 63 HD2 PHE 63 4.246 -0.449 1.994
547 HE1 PHE 63 HE1 PHE 63 3.578 -4.257 -1.048
548 HE2 PHE 63 HE2 PHE 63 4.919 -0.267 -0.364
549 HZ PHE 63 HZ PHE 63 4.586 -2.169 -1.890
550 H VAL 64 H VAL 64 6.492 -4.080 3.888
551 HA VAL 64 HA VAL 64 7.621 -2.035 5.516
552 HB VAL 64 HB VAL 64 8.481 -4.348 5.465
553 HG11 VAL 64 HG11 VAL 64 8.257 -4.825 3.102
554 HG12 VAL 64 HG12 VAL 64 9.918 -5.093 3.633
555 HG13 VAL 64 HG13 VAL 64 9.505 -3.639 2.724
556 HG21 VAL 64 HG21 VAL 64 10.495 -2.248 4.668
557 HG22 VAL 64 HG22 VAL 64 10.859 -3.767 5.489
558 HG23 VAL 64 HG23 VAL 64 9.882 -2.542 6.297
559 H TRP 65 H TRP 65 8.446 -0.163 4.931
560 HA TRP 65 HA TRP 65 8.294 0.631 2.145
561 HB2 TRP 65 HB2 TRP 65 8.981 2.271 4.596
562 HB3 TRP 65 HB3 TRP 65 8.628 2.900 2.989
563 HD1 TRP 65 HD1 TRP 65 6.943 1.638 6.139
564 HE1 TRP 65 HE1 TRP 65 4.399 1.962 5.928
565 HE3 TRP 65 HE3 TRP 65 6.693 2.930 1.197
566 HZ2 TRP 65 HZ2 TRP 65 2.538 2.679 3.940
567 HZ3 TRP 65 HZ3 TRP 65 4.491 3.414 0.218
568 HH2 TRP 65 HH2 TRP 65 2.456 3.287 1.562
569 H SER 66 H SER 66 10.687 0.007 4.600
570 HA SER 66 HA SER 66 12.951 -0.089 4.604
571 HB2 SER 66 HB2 SER 66 12.558 -0.327 1.615
572 HB3 SER 66 HB3 SER 66 14.051 -0.698 2.479
573 HG SER 66 HG SER 66 12.890 -2.312 3.628
574 H LEU 67 H LEU 67 11.617 2.506 4.386
575 HA LEU 67 HA LEU 67 13.284 4.182 2.752
576 HB2 LEU 67 HB2 LEU 67 10.808 4.547 3.511
577 HB3 LEU 67 HB3 LEU 67 11.528 5.182 4.975
578 HG LEU 67 HG LEU 67 10.880 6.938 3.349
579 HD11 LEU 67 HD11 LEU 67 12.626 7.421 4.958
580 HD12 LEU 67 HD12 LEU 67 12.979 8.204 3.416
581 HD13 LEU 67 HD13 LEU 67 13.839 6.734 3.879
582 HD21 LEU 67 HD21 LEU 67 12.170 7.242 1.313
583 HD22 LEU 67 HD22 LEU 67 11.339 5.686 1.299
584 HD23 LEU 67 HD23 LEU 67 13.067 5.761 1.643
585 H GLU 68 H GLU 68 15.354 3.714 3.474
586 HA GLU 68 HA GLU 68 15.993 4.243 6.281
587 HB2 GLU 68 HB2 GLU 68 17.738 3.076 4.102
588 HB3 GLU 68 HB3 GLU 68 18.107 3.130 5.819
589 HG2 GLU 68 HG2 GLU 68 15.808 1.613 4.613
590 HG3 GLU 68 HG3 GLU 68 17.369 0.913 5.027
591 H HIS 69 H HIS 69 15.786 6.549 6.085
592 HA HIS 69 HA HIS 69 17.785 7.862 4.398
593 HB2 HIS 69 HB2 HIS 69 15.552 8.766 4.199
594 HB3 HIS 69 HB3 HIS 69 15.429 8.961 5.942
595 HD1 HIS 69 HD1 HIS 69 15.564 11.340 6.528
596 HD2 HIS 69 HD2 HIS 69 18.045 10.413 3.325
597 HE1 HIS 69 HE1 HIS 69 16.721 13.491 5.923
598 HE2 HIS 69 HE2 HIS 69 18.380 12.845 4.138
599 H HIS 70 H HIS 70 19.609 8.596 5.191
600 HA HIS 70 HA HIS 70 20.208 8.276 7.991
601 HB2 HIS 70 HB2 HIS 70 21.788 7.781 6.069
602 HB3 HIS 70 HB3 HIS 70 21.942 9.518 5.847
603 HD1 HIS 70 HD1 HIS 70 22.754 6.794 8.332
604 HD2 HIS 70 HD2 HIS 70 23.738 10.758 7.534
605 HE1 HIS 70 HE1 HIS 70 24.701 7.329 9.838
606 HE2 HIS 70 HE2 HIS 70 25.165 9.777 9.461
607 H HIS 71 H HIS 71 20.532 9.859 9.513
608 HA HIS 71 HA HIS 71 19.279 12.400 9.013
609 HB2 HIS 71 HB2 HIS 71 20.652 11.235 11.433
610 HB3 HIS 71 HB3 HIS 71 20.046 12.886 11.399
611 HD1 HIS 71 HD1 HIS 71 19.084 9.676 12.507
612 HD2 HIS 71 HD2 HIS 71 17.090 12.779 10.581
613 HE1 HIS 71 HE1 HIS 71 16.641 9.304 12.970
614 HE2 HIS 71 HE2 HIS 71 15.465 11.268 11.921
615 H HIS 72 H HIS 72 20.243 14.465 9.338
616 HA HIS 72 HA HIS 72 23.115 14.653 9.600
617 HB2 HIS 72 HB2 HIS 72 23.571 15.839 7.575
618 HB3 HIS 72 HB3 HIS 72 22.717 14.375 7.112
619 HD1 HIS 72 HD1 HIS 72 22.801 17.852 6.366
620 HD2 HIS 72 HD2 HIS 72 19.756 15.037 6.810
621 HE1 HIS 72 HE1 HIS 72 20.791 18.824 5.206
622 HE2 HIS 72 HE2 HIS 72 18.919 17.203 5.657
623 H HIS 73 H HIS 73 23.779 16.690 10.323
624 HA HIS 73 HA HIS 73 21.575 18.582 10.872
625 HB2 HIS 73 HB2 HIS 73 22.671 17.515 12.889
626 HB3 HIS 73 HB3 HIS 73 24.154 18.347 12.436
627 HD1 HIS 73 HD1 HIS 73 24.479 20.482 13.627
628 HD2 HIS 73 HD2 HIS 73 20.448 19.552 13.191
629 HE1 HIS 73 HE1 HIS 73 23.225 22.341 14.769
630 HE2 HIS 73 HE2 HIS 73 20.793 21.851 14.325
631 H HIS 74 H HIS 74 24.411 18.007 9.199
632 HA HIS 74 HA HIS 74 25.009 20.843 8.810
633 HB2 HIS 74 HB2 HIS 74 26.890 19.271 9.210
634 HB3 HIS 74 HB3 HIS 74 26.436 18.385 7.758
635 HD1 HIS 74 HD1 HIS 74 27.353 19.206 5.585
636 HD2 HIS 74 HD2 HIS 74 27.882 21.936 8.678
637 HE1 HIS 74 HE1 HIS 74 28.839 21.007 4.656
638 HE2 HIS 74 HE2 HIS 74 29.342 22.507 6.617
Start of MODEL 10
1 H1 MET 1 H1 MET 1 -8.221 -5.034 -15.054
2 H2 MET 1 H2 MET 1 -7.927 -3.896 -13.827
3 H3 MET 1 H3 MET 1 -6.820 -4.075 -15.101
4 HA MET 1 HA MET 1 -8.233 -2.087 -15.296
5 HB2 MET 1 HB2 MET 1 -7.195 -3.135 -17.270
6 HB3 MET 1 HB3 MET 1 -8.589 -4.191 -17.441
7 HG2 MET 1 HG2 MET 1 -10.010 -2.227 -17.833
8 HG3 MET 1 HG3 MET 1 -8.588 -1.193 -17.711
9 HE1 MET 1 HE1 MET 1 -6.603 -1.178 -19.459
10 HE2 MET 1 HE2 MET 1 -6.503 -2.271 -20.838
11 HE3 MET 1 HE3 MET 1 -6.354 -2.906 -19.200
12 H ASN 2 H ASN 2 -10.023 -1.644 -14.097
13 HA ASN 2 HA ASN 2 -12.509 -2.961 -14.951
14 HB2 ASN 2 HB2 ASN 2 -11.664 -2.509 -12.081
15 HB3 ASN 2 HB3 ASN 2 -13.296 -2.942 -12.573
16 HD21 ASN 2 HD21 ASN 2 -13.700 -5.018 -13.369
17 HD22 ASN 2 HD22 ASN 2 -12.596 -6.325 -13.087
18 H GLN 3 H GLN 3 -13.679 -1.378 -15.823
19 HA GLN 3 HA GLN 3 -13.656 1.279 -14.618
20 HB2 GLN 3 HB2 GLN 3 -14.944 0.171 -17.115
21 HB3 GLN 3 HB3 GLN 3 -15.246 1.803 -16.532
22 HG2 GLN 3 HG2 GLN 3 -12.859 2.305 -16.718
23 HG3 GLN 3 HG3 GLN 3 -12.570 0.674 -17.321
24 HE21 GLN 3 HE21 GLN 3 -15.001 0.600 -18.900
25 HE22 GLN 3 HE22 GLN 3 -14.731 1.621 -20.267
26 H ASN 4 H ASN 4 -15.049 -1.515 -13.914
27 HA ASN 4 HA ASN 4 -17.743 -0.841 -13.398
28 HB2 ASN 4 HB2 ASN 4 -16.806 -3.166 -13.485
29 HB3 ASN 4 HB3 ASN 4 -15.982 -2.847 -11.964
30 HD21 ASN 4 HD21 ASN 4 -19.021 -3.397 -13.514
31 HD22 ASN 4 HD22 ASN 4 -19.927 -3.696 -12.077
32 H LEU 5 H LEU 5 -18.486 0.557 -11.938
33 HA LEU 5 HA LEU 5 -16.730 1.833 -10.098
34 HB2 LEU 5 HB2 LEU 5 -19.565 2.122 -10.886
35 HB3 LEU 5 HB3 LEU 5 -19.139 2.701 -9.288
36 HG LEU 5 HG LEU 5 -17.486 4.218 -10.233
37 HD11 LEU 5 HD11 LEU 5 -18.361 3.167 -12.921
38 HD12 LEU 5 HD12 LEU 5 -16.799 2.876 -12.158
39 HD13 LEU 5 HD13 LEU 5 -17.252 4.510 -12.637
40 HD21 LEU 5 HD21 LEU 5 -18.995 5.733 -11.398
41 HD22 LEU 5 HD22 LEU 5 -19.788 4.993 -10.008
42 HD23 LEU 5 HD23 LEU 5 -20.145 4.417 -11.637
43 H GLN 6 H GLN 6 -15.964 0.599 -8.574
44 HA GLN 6 HA GLN 6 -17.737 -0.121 -6.401
45 HB2 GLN 6 HB2 GLN 6 -17.471 -2.171 -7.901
46 HB3 GLN 6 HB3 GLN 6 -15.764 -2.146 -7.495
47 HG2 GLN 6 HG2 GLN 6 -17.850 -2.285 -5.351
48 HG3 GLN 6 HG3 GLN 6 -17.344 -3.730 -6.219
49 HE21 GLN 6 HE21 GLN 6 -14.591 -2.847 -6.495
50 HE22 GLN 6 HE22 GLN 6 -13.869 -2.986 -4.931
51 H GLY 7 H GLY 7 -16.628 -0.026 -4.411
52 HA2 GLY 7 HA2 GLY 7 -14.698 1.921 -4.184
53 HA3 GLY 7 HA3 GLY 7 -15.017 0.716 -2.951
54 H GLU 8 H GLU 8 -12.798 1.903 -5.211
55 HA GLU 8 HA GLU 8 -11.277 -0.414 -5.734
56 HB2 GLU 8 HB2 GLU 8 -10.986 1.535 -7.124
57 HB3 GLU 8 HB3 GLU 8 -10.480 2.501 -5.743
58 HG2 GLU 8 HG2 GLU 8 -8.498 1.073 -5.489
59 HG3 GLU 8 HG3 GLU 8 -8.995 0.155 -6.906
60 H TRP 9 H TRP 9 -10.817 2.193 -3.355
61 HA TRP 9 HA TRP 9 -8.487 1.150 -2.219
62 HB2 TRP 9 HB2 TRP 9 -9.243 3.445 -1.824
63 HB3 TRP 9 HB3 TRP 9 -10.627 2.848 -0.918
64 HD1 TRP 9 HD1 TRP 9 -10.147 3.616 1.492
65 HE1 TRP 9 HE1 TRP 9 -8.207 3.320 3.155
66 HE3 TRP 9 HE3 TRP 9 -6.739 1.404 -1.619
67 HZ2 TRP 9 HZ2 TRP 9 -5.580 2.281 3.148
68 HZ3 TRP 9 HZ3 TRP 9 -4.539 0.787 -0.711
69 HH2 TRP 9 HH2 TRP 9 -3.974 1.218 1.624
70 H MET 10 H MET 10 -11.885 0.690 -1.286
71 HA MET 10 HA MET 10 -11.423 -0.965 0.933
72 HB2 MET 10 HB2 MET 10 -13.761 -0.909 -0.976
73 HB3 MET 10 HB3 MET 10 -13.741 -1.812 0.531
74 HG2 MET 10 HG2 MET 10 -13.412 1.173 0.330
75 HG3 MET 10 HG3 MET 10 -14.937 0.354 0.646
76 HE1 MET 10 HE1 MET 10 -11.418 0.836 3.577
77 HE2 MET 10 HE2 MET 10 -11.691 1.785 2.115
78 HE3 MET 10 HE3 MET 10 -11.180 0.102 1.992
79 H LYS 11 H LYS 11 -11.755 -1.726 -2.490
80 HA LYS 11 HA LYS 11 -11.644 -4.548 -2.201
81 HB2 LYS 11 HB2 LYS 11 -12.560 -3.487 -4.194
82 HB3 LYS 11 HB3 LYS 11 -11.004 -2.755 -4.552
83 HG2 LYS 11 HG2 LYS 11 -10.067 -5.041 -4.831
84 HG3 LYS 11 HG3 LYS 11 -11.701 -5.680 -4.639
85 HD2 LYS 11 HD2 LYS 11 -11.155 -5.482 -7.002
86 HD3 LYS 11 HD3 LYS 11 -12.431 -4.340 -6.574
87 HE2 LYS 11 HE2 LYS 11 -10.753 -2.550 -6.408
88 HE3 LYS 11 HE3 LYS 11 -9.498 -3.697 -6.869
89 HZ1 LYS 11 HZ1 LYS 11 -10.157 -2.425 -8.769
90 HZ2 LYS 11 HZ2 LYS 11 -11.790 -2.814 -8.533
91 HZ3 LYS 11 HZ3 LYS 11 -10.687 -4.024 -8.983
92 H ASN 12 H ASN 12 -9.221 -2.154 -3.205
93 HA ASN 12 HA ASN 12 -7.124 -3.987 -3.580
94 HB2 ASN 12 HB2 ASN 12 -7.161 -1.003 -3.165
95 HB3 ASN 12 HB3 ASN 12 -5.681 -1.899 -3.474
96 HD21 ASN 12 HD21 ASN 12 -5.382 -0.714 -5.373
97 HD22 ASN 12 HD22 ASN 12 -6.296 -1.041 -6.805
98 H TYR 13 H TYR 13 -8.170 -2.172 -0.758
99 HA TYR 13 HA TYR 13 -5.857 -2.422 0.793
100 HB2 TYR 13 HB2 TYR 13 -7.797 -0.976 1.371
101 HB3 TYR 13 HB3 TYR 13 -8.711 -2.419 1.793
102 HD1 TYR 13 HD1 TYR 13 -5.287 -1.111 2.575
103 HD2 TYR 13 HD2 TYR 13 -8.936 -2.706 4.067
104 HE1 TYR 13 HE1 TYR 13 -4.394 -0.994 4.863
105 HE2 TYR 13 HE2 TYR 13 -8.056 -2.592 6.361
106 HH TYR 13 HH TYR 13 -5.235 -0.868 7.167
107 H GLU 14 H GLU 14 -8.737 -4.526 0.705
108 HA GLU 14 HA GLU 14 -7.805 -6.457 2.506
109 HB2 GLU 14 HB2 GLU 14 -9.711 -6.721 0.180
110 HB3 GLU 14 HB3 GLU 14 -9.441 -7.986 1.371
111 HG2 GLU 14 HG2 GLU 14 -10.568 -5.245 1.865
112 HG3 GLU 14 HG3 GLU 14 -11.439 -6.777 1.916
113 H GLU 15 H GLU 15 -7.383 -6.138 -0.967
114 HA GLU 15 HA GLU 15 -6.130 -8.637 -1.394
115 HB2 GLU 15 HB2 GLU 15 -5.842 -6.069 -2.965
116 HB3 GLU 15 HB3 GLU 15 -5.382 -7.671 -3.523
117 HG2 GLU 15 HG2 GLU 15 -8.179 -6.783 -2.857
118 HG3 GLU 15 HG3 GLU 15 -7.502 -6.935 -4.476
119 H LEU 16 H LEU 16 -4.858 -5.375 -0.802
120 HA LEU 16 HA LEU 16 -2.123 -6.025 -0.936
121 HB2 LEU 16 HB2 LEU 16 -2.941 -3.725 -1.017
122 HB3 LEU 16 HB3 LEU 16 -3.514 -3.853 0.635
123 HG LEU 16 HG LEU 16 -1.140 -4.204 1.356
124 HD11 LEU 16 HD11 LEU 16 -0.568 -3.433 -1.501
125 HD12 LEU 16 HD12 LEU 16 -0.206 -4.981 -0.738
126 HD13 LEU 16 HD13 LEU 16 0.630 -3.522 -0.208
127 HD21 LEU 16 HD21 LEU 16 -0.526 -1.857 1.178
128 HD22 LEU 16 HD22 LEU 16 -2.243 -2.033 1.545
129 HD23 LEU 16 HD23 LEU 16 -1.728 -1.627 -0.093
130 H LYS 17 H LYS 17 -4.365 -5.865 1.817
131 HA LYS 17 HA LYS 17 -2.684 -6.501 3.911
132 HB2 LYS 17 HB2 LYS 17 -5.494 -7.490 3.388
133 HB3 LYS 17 HB3 LYS 17 -4.660 -7.658 4.925
134 HG2 LYS 17 HG2 LYS 17 -4.732 -5.366 5.345
135 HG3 LYS 17 HG3 LYS 17 -5.090 -4.979 3.659
136 HD2 LYS 17 HD2 LYS 17 -7.085 -4.731 4.988
137 HD3 LYS 17 HD3 LYS 17 -7.274 -6.093 3.896
138 HE2 LYS 17 HE2 LYS 17 -6.689 -7.618 5.744
139 HE3 LYS 17 HE3 LYS 17 -6.585 -6.234 6.831
140 HZ1 LYS 17 HZ1 LYS 17 -9.029 -7.033 5.333
141 HZ2 LYS 17 HZ2 LYS 17 -8.907 -5.781 6.470
142 HZ3 LYS 17 HZ3 LYS 17 -8.729 -7.391 6.963
143 H SER 18 H SER 18 -4.554 -8.754 1.937
144 HA SER 18 HA SER 18 -3.542 -11.131 2.936
145 HB2 SER 18 HB2 SER 18 -4.455 -10.604 0.100
146 HB3 SER 18 HB3 SER 18 -4.404 -12.169 0.911
147 HG SER 18 HG SER 18 -6.209 -10.076 1.187
148 H PHE 19 H PHE 19 -2.286 -9.175 0.229
149 HA PHE 19 HA PHE 19 -0.256 -10.945 -0.548
150 HB2 PHE 19 HB2 PHE 19 -0.952 -8.130 -1.004
151 HB3 PHE 19 HB3 PHE 19 0.760 -8.488 -1.138
152 HD1 PHE 19 HD2 PHE 19 1.560 -10.112 -2.819
153 HD2 PHE 19 HD1 PHE 19 -2.509 -8.878 -2.640
154 HE1 PHE 19 HE2 PHE 19 1.205 -10.965 -5.100
155 HE2 PHE 19 HE1 PHE 19 -2.868 -9.728 -4.921
156 HZ PHE 19 HZ PHE 19 -1.011 -10.772 -6.155
157 H VAL 20 H VAL 20 -0.201 -8.189 1.696
158 HA VAL 20 HA VAL 20 2.564 -8.520 2.269
159 HB VAL 20 HB VAL 20 0.422 -6.831 3.517
160 HG11 VAL 20 HG11 VAL 20 3.319 -6.983 4.363
161 HG12 VAL 20 HG12 VAL 20 1.953 -7.566 5.317
162 HG13 VAL 20 HG13 VAL 20 2.112 -5.845 4.967
163 HG21 VAL 20 HG21 VAL 20 2.979 -6.244 2.033
164 HG22 VAL 20 HG22 VAL 20 1.836 -5.035 2.628
165 HG23 VAL 20 HG23 VAL 20 1.350 -6.161 1.358
166 H ARG 21 H ARG 21 -0.387 -9.488 4.068
167 HA ARG 21 HA ARG 21 1.099 -10.433 6.281
168 HB2 ARG 21 HB2 ARG 21 -0.931 -11.715 6.907
169 HB3 ARG 21 HB3 ARG 21 -1.216 -10.010 6.627
170 HG2 ARG 21 HG2 ARG 21 -3.026 -10.926 5.608
171 HG3 ARG 21 HG3 ARG 21 -1.914 -10.823 4.246
172 HD2 ARG 21 HD2 ARG 21 -1.417 -13.135 4.371
173 HD3 ARG 21 HD3 ARG 21 -2.213 -13.290 5.940
174 HE ARG 21 HE ARG 21 -4.187 -12.397 4.290
175 HH11 ARG 21 HH11 ARG 21 -2.023 -15.150 4.272
176 HH12 ARG 21 HH12 ARG 21 -3.111 -16.154 3.366
177 HH21 ARG 21 HH21 ARG 21 -5.624 -13.711 3.118
178 HH22 ARG 21 HH22 ARG 21 -5.163 -15.337 2.703
179 H LYS 22 H LYS 22 0.687 -11.697 3.158
180 HA LYS 22 HA LYS 22 1.597 -14.338 3.876
181 HB2 LYS 22 HB2 LYS 22 0.857 -12.936 1.348
182 HB3 LYS 22 HB3 LYS 22 1.865 -14.361 1.260
183 HG2 LYS 22 HG2 LYS 22 0.088 -15.572 2.568
184 HG3 LYS 22 HG3 LYS 22 -0.926 -14.145 2.336
185 HD2 LYS 22 HD2 LYS 22 -0.763 -14.390 -0.077
186 HD3 LYS 22 HD3 LYS 22 0.319 -15.770 0.117
187 HE2 LYS 22 HE2 LYS 22 -1.516 -16.940 1.337
188 HE3 LYS 22 HE3 LYS 22 -2.579 -15.594 0.926
189 HZ1 LYS 22 HZ1 LYS 22 -2.858 -17.382 -0.646
190 HZ2 LYS 22 HZ2 LYS 22 -1.198 -17.391 -0.997
191 HZ3 LYS 22 HZ3 LYS 22 -2.149 -16.055 -1.431
192 H TYR 23 H TYR 23 2.922 -11.911 1.583
193 HA TYR 23 HA TYR 23 5.598 -12.953 2.281
194 HB2 TYR 23 HB2 TYR 23 4.722 -11.851 -0.394
195 HB3 TYR 23 HB3 TYR 23 6.271 -12.594 -0.019
196 HD1 TYR 23 HD2 TYR 23 6.320 -15.061 0.553
197 HD2 TYR 23 HD1 TYR 23 2.880 -13.151 -1.065
198 HE1 TYR 23 HE2 TYR 23 5.431 -17.250 -0.126
199 HE2 TYR 23 HE1 TYR 23 1.980 -15.336 -1.744
200 HH TYR 23 HH TYR 23 3.302 -18.298 -0.643
201 H ARG 24 H ARG 24 3.701 -10.233 2.470
202 HA ARG 24 HA ARG 24 4.059 -8.027 2.884
203 HB2 ARG 24 HB2 ARG 24 6.875 -9.006 3.310
204 HB3 ARG 24 HB3 ARG 24 6.470 -7.304 3.420
205 HG2 ARG 24 HG2 ARG 24 6.505 -8.174 5.620
206 HG3 ARG 24 HG3 ARG 24 4.813 -7.907 5.198
207 HD2 ARG 24 HD2 ARG 24 4.427 -10.197 4.865
208 HD3 ARG 24 HD3 ARG 24 6.145 -10.560 4.845
209 HE ARG 24 HE ARG 24 5.695 -9.531 7.340
210 HH11 ARG 24 HH11 ARG 24 4.302 -12.152 5.487
211 HH12 ARG 24 HH12 ARG 24 3.980 -13.145 6.877
212 HH21 ARG 24 HH21 ARG 24 5.284 -10.821 9.172
213 HH22 ARG 24 HH22 ARG 24 4.547 -12.381 8.978
214 H ARG 25 H ARG 25 4.572 -9.356 0.137
215 HA ARG 25 HA ARG 25 5.302 -6.957 -1.237
216 HB2 ARG 25 HB2 ARG 25 7.286 -7.882 -2.380
217 HB3 ARG 25 HB3 ARG 25 7.539 -7.723 -0.646
218 HG2 ARG 25 HG2 ARG 25 7.012 -10.148 -0.414
219 HG3 ARG 25 HG3 ARG 25 6.961 -10.255 -2.174
220 HD2 ARG 25 HD2 ARG 25 9.271 -9.581 -2.326
221 HD3 ARG 25 HD3 ARG 25 9.337 -9.294 -0.588
222 HE ARG 25 HE ARG 25 8.812 -11.996 -1.651
223 HH11 ARG 25 HH11 ARG 25 10.685 -9.788 0.314
224 HH12 ARG 25 HH12 ARG 25 11.696 -11.034 0.985
225 HH21 ARG 25 HH21 ARG 25 10.112 -13.643 -0.745
226 HH22 ARG 25 HH22 ARG 25 11.354 -13.229 0.396
227 H PHE 26 H PHE 26 5.531 -7.474 -3.676
228 HA PHE 26 HA PHE 26 3.516 -9.478 -4.406
229 HB2 PHE 26 HB2 PHE 26 4.608 -7.367 -6.249
230 HB3 PHE 26 HB3 PHE 26 3.078 -8.229 -6.356
231 HD1 PHE 26 HD1 PHE 26 1.368 -7.781 -4.466
232 HD2 PHE 26 HD2 PHE 26 4.692 -5.271 -5.325
233 HE1 PHE 26 HE1 PHE 26 0.261 -5.919 -3.295
234 HE2 PHE 26 HE2 PHE 26 3.596 -3.407 -4.159
235 HZ PHE 26 HZ PHE 26 1.380 -3.732 -3.140
236 HA PRO 27 HA PRO 27 7.432 -11.496 -5.771
237 HB2 PRO 27 HB2 PRO 27 5.944 -13.978 -5.390
238 HB3 PRO 27 HB3 PRO 27 7.423 -13.434 -4.596
239 HG2 PRO 27 HG2 PRO 27 5.055 -13.626 -3.297
240 HG3 PRO 27 HG3 PRO 27 6.287 -12.423 -2.874
241 HD2 PRO 27 HD2 PRO 27 3.787 -12.094 -4.491
242 HD3 PRO 27 HD3 PRO 27 4.484 -11.017 -3.263
243 H LYS 28 H LYS 28 4.105 -12.108 -6.660
244 HA LYS 28 HA LYS 28 4.959 -12.621 -9.424
245 HB2 LYS 28 HB2 LYS 28 2.768 -14.031 -7.886
246 HB3 LYS 28 HB3 LYS 28 2.956 -14.134 -9.630
247 HG2 LYS 28 HG2 LYS 28 5.093 -14.958 -7.680
248 HG3 LYS 28 HG3 LYS 28 3.883 -16.062 -8.339
249 HD2 LYS 28 HD2 LYS 28 4.663 -15.567 -10.602
250 HD3 LYS 28 HD3 LYS 28 5.866 -14.454 -9.949
251 HE2 LYS 28 HE2 LYS 28 6.822 -16.652 -10.514
252 HE3 LYS 28 HE3 LYS 28 6.976 -16.272 -8.802
253 HZ1 LYS 28 HZ1 LYS 28 4.805 -17.966 -9.916
254 HZ2 LYS 28 HZ2 LYS 28 5.196 -17.739 -8.279
255 HZ3 LYS 28 HZ3 LYS 28 6.258 -18.589 -9.294
256 H SER 29 H SER 29 4.317 -10.898 -10.567
257 HA SER 29 HA SER 29 2.041 -9.347 -9.700
258 HB2 SER 29 HB2 SER 29 4.149 -8.314 -10.626
259 HB3 SER 29 HB3 SER 29 3.685 -8.941 -12.208
260 HG SER 29 HG SER 29 2.172 -7.456 -12.370
261 H THR 30 H THR 30 0.618 -11.247 -9.974
262 HA THR 30 HA THR 30 -0.425 -11.394 -12.725
263 HB THR 30 HB THR 30 -1.746 -13.364 -11.806
264 HG1 THR 30 HG1 THR 30 -1.637 -13.319 -9.649
265 HG21 THR 30 HG21 THR 30 0.165 -14.914 -11.913
266 HG22 THR 30 HG22 THR 30 1.271 -13.549 -11.774
267 HG23 THR 30 HG23 THR 30 0.233 -13.703 -13.192
268 H GLU 31 H GLU 31 -0.732 -9.579 -10.152
269 HA GLU 31 HA GLU 31 -3.669 -9.517 -10.083
270 HB2 GLU 31 HB2 GLU 31 -1.916 -9.726 -7.999
271 HB3 GLU 31 HB3 GLU 31 -2.141 -7.984 -8.071
272 HG2 GLU 31 HG2 GLU 31 -4.295 -10.060 -7.749
273 HG3 GLU 31 HG3 GLU 31 -3.690 -8.963 -6.506
274 H GLY 32 H GLY 32 -4.615 -7.868 -11.119
275 HA2 GLY 32 HA2 GLY 32 -3.004 -5.895 -12.432
276 HA3 GLY 32 HA3 GLY 32 -4.755 -6.025 -12.503
277 H ASN 33 H ASN 33 -5.125 -5.865 -9.630
278 HA ASN 33 HA ASN 33 -5.363 -3.030 -9.496
279 HB2 ASN 33 HB2 ASN 33 -5.858 -5.178 -7.426
280 HB3 ASN 33 HB3 ASN 33 -6.248 -3.476 -7.197
281 HD21 ASN 33 HD21 ASN 33 -7.872 -5.995 -7.393
282 HD22 ASN 33 HD22 ASN 33 -9.079 -5.641 -8.582
283 H LEU 34 H LEU 34 -3.521 -5.369 -7.519
284 HA LEU 34 HA LEU 34 -2.068 -3.375 -6.116
285 HB2 LEU 34 HB2 LEU 34 -1.538 -6.290 -6.598
286 HB3 LEU 34 HB3 LEU 34 -0.415 -5.290 -5.706
287 HG LEU 34 HG LEU 34 -1.728 -6.460 -4.115
288 HD11 LEU 34 HD11 LEU 34 -2.847 -4.661 -2.907
289 HD12 LEU 34 HD12 LEU 34 -2.767 -3.646 -4.348
290 HD13 LEU 34 HD13 LEU 34 -1.282 -4.154 -3.543
291 HD21 LEU 34 HD21 LEU 34 -3.581 -7.091 -5.568
292 HD22 LEU 34 HD22 LEU 34 -4.181 -5.433 -5.528
293 HD23 LEU 34 HD23 LEU 34 -4.154 -6.395 -4.050
294 H GLY 35 H GLY 35 -1.540 -5.023 -9.157
295 HA2 GLY 35 HA2 GLY 35 1.131 -4.281 -9.617
296 HA3 GLY 35 HA3 GLY 35 -0.060 -4.614 -10.867
297 H GLY 36 H GLY 36 -1.899 -2.567 -10.266
298 HA2 GLY 36 HA2 GLY 36 -0.507 -0.279 -11.344
299 HA3 GLY 36 HA3 GLY 36 -2.226 -0.379 -10.990
300 H TRP 37 H TRP 37 -1.773 -1.295 -8.255
301 HA TRP 37 HA TRP 37 -1.857 1.146 -6.906
302 HB2 TRP 37 HB2 TRP 37 -2.570 -1.276 -6.181
303 HB3 TRP 37 HB3 TRP 37 -0.951 -1.324 -5.489
304 HD1 TRP 37 HD1 TRP 37 -4.196 0.720 -5.266
305 HE1 TRP 37 HE1 TRP 37 -4.307 1.828 -2.961
306 HE3 TRP 37 HE3 TRP 37 0.386 -0.668 -3.481
307 HZ2 TRP 37 HZ2 TRP 37 -2.671 2.068 -0.663
308 HZ3 TRP 37 HZ3 TRP 37 1.036 0.038 -1.222
309 HH2 TRP 37 HH2 TRP 37 -0.462 1.381 0.158
310 H CYS 38 H CYS 38 0.793 -1.255 -7.017
311 HA CYS 38 HA CYS 38 2.586 0.265 -5.472
312 HB2 CYS 38 HB2 CYS 38 4.342 -1.222 -6.495
313 HB3 CYS 38 HB3 CYS 38 2.998 -2.069 -5.735
314 HG CYS 38 HG CYS 38 1.839 -2.985 -7.980
315 H HIS 39 H HIS 39 2.079 0.113 -8.973
316 HA HIS 39 HA HIS 39 4.236 1.756 -9.721
317 HB2 HIS 39 HB2 HIS 39 1.666 0.954 -11.012
318 HB3 HIS 39 HB3 HIS 39 2.572 2.288 -11.713
319 HD1 HIS 39 HD1 HIS 39 2.434 -1.368 -11.548
320 HD2 HIS 39 HD2 HIS 39 5.230 1.530 -12.589
321 HE1 HIS 39 HE1 HIS 39 4.222 -2.580 -12.844
322 HE2 HIS 39 HE2 HIS 39 5.997 -0.843 -13.266
323 H THR 40 H THR 40 0.861 2.524 -8.979
324 HA THR 40 HA THR 40 1.067 5.305 -9.426
325 HB THR 40 HB THR 40 -0.872 3.876 -7.590
326 HG1 THR 40 HG1 THR 40 -1.204 2.931 -9.524
327 HG21 THR 40 HG21 THR 40 -2.357 5.760 -8.081
328 HG22 THR 40 HG22 THR 40 -1.105 6.495 -9.084
329 HG23 THR 40 HG23 THR 40 -0.856 6.325 -7.346
330 H GLN 41 H GLN 41 1.569 3.281 -6.590
331 HA GLN 41 HA GLN 41 1.744 5.460 -4.764
332 HB2 GLN 41 HB2 GLN 41 1.605 2.658 -4.591
333 HB3 GLN 41 HB3 GLN 41 3.116 3.120 -3.813
334 HG2 GLN 41 HG2 GLN 41 1.294 3.029 -2.212
335 HG3 GLN 41 HG3 GLN 41 1.924 4.666 -2.364
336 HE21 GLN 41 HE21 GLN 41 -0.208 3.123 -4.685
337 HE22 GLN 41 HE22 GLN 41 -1.578 4.142 -4.385
338 H ARG 42 H ARG 42 4.003 3.937 -6.901
339 HA ARG 42 HA ARG 42 6.411 4.722 -5.707
340 HB2 ARG 42 HB2 ARG 42 5.572 4.227 -8.535
341 HB3 ARG 42 HB3 ARG 42 7.149 4.937 -8.221
342 HG2 ARG 42 HG2 ARG 42 6.142 2.275 -7.228
343 HG3 ARG 42 HG3 ARG 42 7.364 2.551 -8.472
344 HD2 ARG 42 HD2 ARG 42 8.606 3.864 -6.619
345 HD3 ARG 42 HD3 ARG 42 7.541 2.994 -5.516
346 HE ARG 42 HE ARG 42 8.988 1.352 -7.421
347 HH11 ARG 42 HH11 ARG 42 8.848 2.645 -4.161
348 HH12 ARG 42 HH12 ARG 42 10.061 1.554 -3.548
349 HH21 ARG 42 HH21 ARG 42 10.547 -0.076 -6.617
350 HH22 ARG 42 HH22 ARG 42 11.012 -0.007 -4.946
351 H LYS 43 H LYS 43 4.239 6.490 -7.887
352 HA LYS 43 HA LYS 43 5.802 8.841 -8.016
353 HB2 LYS 43 HB2 LYS 43 2.800 8.569 -8.278
354 HB3 LYS 43 HB3 LYS 43 3.737 9.983 -8.729
355 HG2 LYS 43 HG2 LYS 43 3.789 9.125 -10.769
356 HG3 LYS 43 HG3 LYS 43 4.939 7.942 -10.141
357 HD2 LYS 43 HD2 LYS 43 3.094 6.865 -11.330
358 HD3 LYS 43 HD3 LYS 43 3.114 6.419 -9.626
359 HE2 LYS 43 HE2 LYS 43 0.842 6.879 -10.412
360 HE3 LYS 43 HE3 LYS 43 1.339 8.014 -9.162
361 HZ1 LYS 43 HZ1 LYS 43 1.420 8.594 -12.077
362 HZ2 LYS 43 HZ2 LYS 43 1.717 9.688 -10.813
363 HZ3 LYS 43 HZ3 LYS 43 0.161 9.059 -11.040
364 H MET 44 H MET 44 3.262 7.763 -5.838
365 HA MET 44 HA MET 44 2.808 10.148 -4.462
366 HB2 MET 44 HB2 MET 44 2.713 7.372 -3.275
367 HB3 MET 44 HB3 MET 44 1.870 8.794 -2.690
368 HG2 MET 44 HG2 MET 44 1.349 7.435 -5.325
369 HG3 MET 44 HG3 MET 44 0.409 7.204 -3.857
370 HE1 MET 44 HE1 MET 44 0.723 9.098 -7.113
371 HE2 MET 44 HE2 MET 44 1.769 10.158 -6.168
372 HE3 MET 44 HE3 MET 44 0.212 10.747 -6.751
373 H ARG 45 H ARG 45 5.172 7.591 -3.942
374 HA ARG 45 HA ARG 45 6.205 8.642 -1.516
375 HB2 ARG 45 HB2 ARG 45 6.441 6.280 -2.076
376 HB3 ARG 45 HB3 ARG 45 7.403 6.682 -3.485
377 HG2 ARG 45 HG2 ARG 45 8.309 7.463 -0.736
378 HG3 ARG 45 HG3 ARG 45 8.589 5.837 -1.360
379 HD2 ARG 45 HD2 ARG 45 9.872 6.699 -3.194
380 HD3 ARG 45 HD3 ARG 45 9.450 8.357 -2.773
381 HE ARG 45 HE ARG 45 11.347 6.621 -1.366
382 HH11 ARG 45 HH11 ARG 45 9.793 9.743 -1.698
383 HH12 ARG 45 HH12 ARG 45 11.013 10.596 -0.800
384 HH21 ARG 45 HH21 ARG 45 12.951 7.736 -0.166
385 HH22 ARG 45 HH22 ARG 45 12.812 9.451 0.080
386 H LYS 46 H LYS 46 7.348 8.821 -4.903
387 HA LYS 46 HA LYS 46 9.698 10.240 -4.110
388 HB2 LYS 46 HB2 LYS 46 10.267 10.296 -6.428
389 HB3 LYS 46 HB3 LYS 46 9.613 8.713 -6.071
390 HG2 LYS 46 HG2 LYS 46 7.503 9.336 -7.102
391 HG3 LYS 46 HG3 LYS 46 8.126 10.959 -7.417
392 HD2 LYS 46 HD2 LYS 46 9.939 9.934 -8.776
393 HD3 LYS 46 HD3 LYS 46 9.167 8.364 -8.549
394 HE2 LYS 46 HE2 LYS 46 7.145 9.213 -9.651
395 HE3 LYS 46 HE3 LYS 46 7.937 10.769 -9.892
396 HZ1 LYS 46 HZ1 LYS 46 9.639 9.607 -11.220
397 HZ2 LYS 46 HZ2 LYS 46 8.088 9.475 -11.891
398 HZ3 LYS 46 HZ3 LYS 46 8.762 8.163 -11.054
399 H GLN 47 H GLN 47 6.495 11.142 -5.014
400 HA GLN 47 HA GLN 47 7.206 13.885 -5.617
401 HB2 GLN 47 HB2 GLN 47 5.201 12.444 -6.528
402 HB3 GLN 47 HB3 GLN 47 4.408 12.981 -5.057
403 HG2 GLN 47 HG2 GLN 47 4.804 15.311 -5.703
404 HG3 GLN 47 HG3 GLN 47 5.547 14.754 -7.200
405 HE21 GLN 47 HE21 GLN 47 4.240 13.806 -8.793
406 HE22 GLN 47 HE22 GLN 47 2.521 14.027 -8.805
407 H GLY 48 H GLY 48 6.814 12.052 -2.862
408 HA2 GLY 48 HA2 GLY 48 6.868 12.630 -0.639
409 HA3 GLY 48 HA3 GLY 48 7.026 14.306 -1.140
410 H LYS 49 H LYS 49 4.389 12.099 -1.951
411 HA LYS 49 HA LYS 49 2.627 13.723 -0.244
412 HB2 LYS 49 HB2 LYS 49 0.925 13.717 -1.981
413 HB3 LYS 49 HB3 LYS 49 2.387 14.532 -2.508
414 HG2 LYS 49 HG2 LYS 49 2.944 12.846 -3.995
415 HG3 LYS 49 HG3 LYS 49 1.922 11.660 -3.177
416 HD2 LYS 49 HD2 LYS 49 0.863 14.079 -4.628
417 HD3 LYS 49 HD3 LYS 49 1.006 12.475 -5.353
418 HE2 LYS 49 HE2 LYS 49 -0.544 11.547 -3.809
419 HE3 LYS 49 HE3 LYS 49 -0.526 13.004 -2.818
420 HZ1 LYS 49 HZ1 LYS 49 -2.508 12.726 -4.291
421 HZ2 LYS 49 HZ2 LYS 49 -1.489 12.982 -5.624
422 HZ3 LYS 49 HZ3 LYS 49 -1.688 14.202 -4.459
423 H LEU 50 H LEU 50 3.799 10.821 -0.480
424 HA LEU 50 HA LEU 50 1.567 9.083 -0.560
425 HB2 LEU 50 HB2 LEU 50 4.363 8.919 0.015
426 HB3 LEU 50 HB3 LEU 50 3.506 8.143 1.329
427 HG LEU 50 HG LEU 50 3.294 7.408 -1.595
428 HD11 LEU 50 HD11 LEU 50 4.459 5.372 -0.919
429 HD12 LEU 50 HD12 LEU 50 4.602 5.996 0.724
430 HD13 LEU 50 HD13 LEU 50 5.439 6.804 -0.601
431 HD21 LEU 50 HD21 LEU 50 1.208 6.982 -0.391
432 HD22 LEU 50 HD22 LEU 50 2.102 6.079 0.833
433 HD23 LEU 50 HD23 LEU 50 2.028 5.481 -0.823
434 HA PRO 51 HA PRO 51 -0.448 10.416 3.155
435 HB2 PRO 51 HB2 PRO 51 -1.767 7.788 3.187
436 HB3 PRO 51 HB3 PRO 51 -2.471 9.399 3.012
437 HG2 PRO 51 HG2 PRO 51 -2.337 7.685 0.951
438 HG3 PRO 51 HG3 PRO 51 -2.152 9.435 0.726
439 HD2 PRO 51 HD2 PRO 51 -0.053 7.302 0.826
440 HD3 PRO 51 HD3 PRO 51 -0.178 8.716 -0.233
441 H ASN 52 H ASN 52 -0.080 10.337 5.215
442 HA ASN 52 HA ASN 52 1.777 8.515 6.374
443 HB2 ASN 52 HB2 ASN 52 -0.075 10.528 7.670
444 HB3 ASN 52 HB3 ASN 52 1.179 9.637 8.524
445 HD21 ASN 52 HD21 ASN 52 0.856 12.482 8.195
446 HD22 ASN 52 HD22 ASN 52 2.301 13.060 7.430
447 H ASP 53 H ASP 53 -1.685 8.747 6.238
448 HA ASP 53 HA ASP 53 -2.249 6.756 8.197
449 HB2 ASP 53 HB2 ASP 53 -3.948 8.336 7.602
450 HB3 ASP 53 HB3 ASP 53 -3.865 7.883 5.906
451 H ARG 54 H ARG 54 -2.082 6.739 4.667
452 HA ARG 54 HA ARG 54 -2.684 4.031 4.304
453 HB2 ARG 54 HB2 ARG 54 -2.661 5.854 2.554
454 HB3 ARG 54 HB3 ARG 54 -0.910 5.688 2.511
455 HG2 ARG 54 HG2 ARG 54 -1.124 3.385 1.786
456 HG3 ARG 54 HG3 ARG 54 -2.882 3.492 1.906
457 HD2 ARG 54 HD2 ARG 54 -1.829 5.634 0.292
458 HD3 ARG 54 HD3 ARG 54 -1.290 4.069 -0.318
459 HE ARG 54 HE ARG 54 -3.517 3.493 -0.757
460 HH11 ARG 54 HH11 ARG 54 -3.298 6.691 0.640
461 HH12 ARG 54 HH12 ARG 54 -4.879 7.177 0.112
462 HH21 ARG 54 HH21 ARG 54 -5.593 4.131 -1.470
463 HH22 ARG 54 HH22 ARG 54 -6.191 5.717 -1.074
464 H ARG 55 H ARG 55 0.459 5.665 4.706
465 HA ARG 55 HA ARG 55 2.011 3.318 4.355
466 HB2 ARG 55 HB2 ARG 55 3.846 4.559 5.437
467 HB3 ARG 55 HB3 ARG 55 3.053 5.525 4.201
468 HG2 ARG 55 HG2 ARG 55 1.815 6.716 5.921
469 HG3 ARG 55 HG3 ARG 55 2.597 5.747 7.164
470 HD2 ARG 55 HD2 ARG 55 3.747 7.804 7.095
471 HD3 ARG 55 HD3 ARG 55 4.792 6.632 6.307
472 HE ARG 55 HE ARG 55 3.126 8.052 4.462
473 HH11 ARG 55 HH11 ARG 55 6.084 8.188 6.296
474 HH12 ARG 55 HH12 ARG 55 6.867 9.318 5.237
475 HH21 ARG 55 HH21 ARG 55 4.110 9.589 3.063
476 HH22 ARG 55 HH22 ARG 55 5.717 10.141 3.395
477 H LEU 56 H LEU 56 0.327 4.729 7.089
478 HA LEU 56 HA LEU 56 1.575 3.133 9.088
479 HB2 LEU 56 HB2 LEU 56 0.284 5.291 9.432
480 HB3 LEU 56 HB3 LEU 56 -1.180 4.349 9.221
481 HG LEU 56 HG LEU 56 -0.557 2.971 11.177
482 HD11 LEU 56 HD11 LEU 56 1.709 4.939 11.460
483 HD12 LEU 56 HD12 LEU 56 1.859 3.227 11.063
484 HD13 LEU 56 HD13 LEU 56 1.251 3.714 12.645
485 HD21 LEU 56 HD21 LEU 56 -2.028 4.910 11.430
486 HD22 LEU 56 HD22 LEU 56 -0.623 5.937 11.714
487 HD23 LEU 56 HD23 LEU 56 -1.027 4.662 12.863
488 H LEU 57 H LEU 57 -1.319 2.809 7.108
489 HA LEU 57 HA LEU 57 -2.393 0.498 8.267
490 HB2 LEU 57 HB2 LEU 57 -2.441 1.275 5.347
491 HB3 LEU 57 HB3 LEU 57 -3.523 0.141 6.131
492 HG LEU 57 HG LEU 57 -3.375 3.106 6.668
493 HD11 LEU 57 HD11 LEU 57 -5.583 3.173 5.648
494 HD12 LEU 57 HD12 LEU 57 -5.493 1.443 5.319
495 HD13 LEU 57 HD13 LEU 57 -4.381 2.552 4.518
496 HD21 LEU 57 HD21 LEU 57 -5.255 1.039 7.800
497 HD22 LEU 57 HD22 LEU 57 -5.312 2.778 8.089
498 HD23 LEU 57 HD23 LEU 57 -3.949 1.829 8.680
499 H LEU 58 H LEU 58 0.105 0.920 5.819
500 HA LEU 58 HA LEU 58 0.469 -1.794 5.174
501 HB2 LEU 58 HB2 LEU 58 2.088 0.684 4.903
502 HB3 LEU 58 HB3 LEU 58 2.931 -0.844 4.761
503 HG LEU 58 HG LEU 58 1.457 -1.494 2.905
504 HD11 LEU 58 HD11 LEU 58 0.285 1.263 3.221
505 HD12 LEU 58 HD12 LEU 58 -0.539 -0.262 3.547
506 HD13 LEU 58 HD13 LEU 58 -0.052 0.142 1.901
507 HD21 LEU 58 HD21 LEU 58 2.318 0.100 1.252
508 HD22 LEU 58 HD22 LEU 58 3.559 -0.366 2.418
509 HD23 LEU 58 HD23 LEU 58 2.763 1.201 2.554
510 H ASP 59 H ASP 59 2.109 0.267 7.571
511 HA ASP 59 HA ASP 59 3.825 -1.735 8.547
512 HB2 ASP 59 HB2 ASP 59 4.223 0.614 9.045
513 HB3 ASP 59 HB3 ASP 59 2.727 0.697 9.968
514 H LYS 60 H LYS 60 0.526 -0.860 9.380
515 HA LYS 60 HA LYS 60 0.325 -2.458 11.699
516 HB2 LYS 60 HB2 LYS 60 -1.463 -0.869 10.018
517 HB3 LYS 60 HB3 LYS 60 -2.241 -2.270 10.735
518 HG2 LYS 60 HG2 LYS 60 -2.535 -0.366 12.173
519 HG3 LYS 60 HG3 LYS 60 -1.466 -1.530 12.955
520 HD2 LYS 60 HD2 LYS 60 0.472 -0.182 12.121
521 HD3 LYS 60 HD3 LYS 60 -0.687 1.027 11.564
522 HE2 LYS 60 HE2 LYS 60 0.156 1.697 13.712
523 HE3 LYS 60 HE3 LYS 60 -1.534 1.222 13.883
524 HZ1 LYS 60 HZ1 LYS 60 -0.168 0.337 15.673
525 HZ2 LYS 60 HZ2 LYS 60 0.811 -0.478 14.551
526 HZ3 LYS 60 HZ3 LYS 60 -0.815 -0.923 14.736
527 H ILE 61 H ILE 61 -0.410 -3.115 8.277
528 HA ILE 61 HA ILE 61 -1.418 -5.735 8.882
529 HB ILE 61 HB ILE 61 -1.356 -6.157 6.449
530 HG12 ILE 61 HG12 ILE 61 -0.301 -3.325 6.269
531 HG13 ILE 61 HG13 ILE 61 0.617 -4.780 5.901
532 HG21 ILE 61 HG21 ILE 61 -3.095 -4.551 5.864
533 HG22 ILE 61 HG22 ILE 61 -2.640 -3.549 7.240
534 HG23 ILE 61 HG23 ILE 61 -3.309 -5.158 7.509
535 HD11 ILE 61 HD11 ILE 61 -0.167 -3.687 3.879
536 HD12 ILE 61 HD12 ILE 61 -1.832 -3.828 4.438
537 HD13 ILE 61 HD13 ILE 61 -0.905 -5.280 4.063
538 H GLY 62 H GLY 62 1.684 -4.398 8.570
539 HA2 GLY 62 HA2 GLY 62 3.430 -5.751 9.578
540 HA3 GLY 62 HA3 GLY 62 2.764 -7.136 8.732
541 H PHE 63 H PHE 63 2.984 -4.177 6.978
542 HA PHE 63 HA PHE 63 4.716 -5.338 5.051
543 HB2 PHE 63 HB2 PHE 63 3.050 -3.655 4.436
544 HB3 PHE 63 HB3 PHE 63 3.867 -2.458 5.431
545 HD1 PHE 63 HD1 PHE 63 4.304 -4.614 2.443
546 HD2 PHE 63 HD2 PHE 63 5.575 -1.136 4.542
547 HE1 PHE 63 HE1 PHE 63 5.664 -3.950 0.508
548 HE2 PHE 63 HE2 PHE 63 6.939 -0.462 2.604
549 HZ PHE 63 HZ PHE 63 6.985 -1.871 0.587
550 H VAL 64 H VAL 64 6.817 -5.315 4.856
551 HA VAL 64 HA VAL 64 8.390 -4.032 6.936
552 HB VAL 64 HB VAL 64 8.745 -6.425 6.499
553 HG11 VAL 64 HG11 VAL 64 9.665 -5.554 3.766
554 HG12 VAL 64 HG12 VAL 64 8.219 -6.494 4.133
555 HG13 VAL 64 HG13 VAL 64 9.815 -7.181 4.435
556 HG21 VAL 64 HG21 VAL 64 11.084 -4.685 5.753
557 HG22 VAL 64 HG22 VAL 64 11.191 -6.373 6.254
558 HG23 VAL 64 HG23 VAL 64 10.594 -5.155 7.380
559 H TRP 65 H TRP 65 9.932 -2.473 6.509
560 HA TRP 65 HA TRP 65 9.630 -1.118 3.959
561 HB2 TRP 65 HB2 TRP 65 11.110 -0.366 6.487
562 HB3 TRP 65 HB3 TRP 65 11.088 0.630 5.035
563 HD1 TRP 65 HD1 TRP 65 9.059 -0.196 8.095
564 HE1 TRP 65 HE1 TRP 65 6.893 1.196 8.097
565 HE3 TRP 65 HE3 TRP 65 9.279 1.663 3.336
566 HZ2 TRP 65 HZ2 TRP 65 5.463 2.865 6.320
567 HZ3 TRP 65 HZ3 TRP 65 7.471 3.147 2.569
568 HH2 TRP 65 HH2 TRP 65 5.608 3.735 4.027
569 H SER 66 H SER 66 11.164 -3.708 4.521
570 HA SER 66 HA SER 66 12.848 -4.831 3.530
571 HB2 SER 66 HB2 SER 66 12.125 -3.538 1.516
572 HB3 SER 66 HB3 SER 66 13.307 -2.299 1.927
573 HG SER 66 HG SER 66 14.228 -3.670 0.437
574 H LEU 67 H LEU 67 15.363 -4.394 2.877
575 HA LEU 67 HA LEU 67 16.561 -3.513 5.367
576 HB2 LEU 67 HB2 LEU 67 17.725 -4.819 2.906
577 HB3 LEU 67 HB3 LEU 67 18.689 -4.328 4.282
578 HG LEU 67 HG LEU 67 17.214 -5.883 5.677
579 HD11 LEU 67 HD11 LEU 67 16.150 -7.723 4.465
580 HD12 LEU 67 HD12 LEU 67 16.507 -6.915 2.938
581 HD13 LEU 67 HD13 LEU 67 15.399 -6.172 4.090
582 HD21 LEU 67 HD21 LEU 67 18.989 -7.066 3.549
583 HD22 LEU 67 HD22 LEU 67 18.542 -7.831 5.073
584 HD23 LEU 67 HD23 LEU 67 19.528 -6.371 5.079
585 H GLU 68 H GLU 68 17.814 -1.734 5.626
586 HA GLU 68 HA GLU 68 18.281 -0.066 3.246
587 HB2 GLU 68 HB2 GLU 68 17.855 1.939 4.587
588 HB3 GLU 68 HB3 GLU 68 16.441 0.897 4.561
589 HG2 GLU 68 HG2 GLU 68 16.900 0.125 6.787
590 HG3 GLU 68 HG3 GLU 68 18.435 0.993 6.814
591 H HIS 69 H HIS 69 20.172 1.227 3.294
592 HA HIS 69 HA HIS 69 22.203 0.330 5.187
593 HB2 HIS 69 HB2 HIS 69 22.249 1.734 2.562
594 HB3 HIS 69 HB3 HIS 69 23.558 2.076 3.689
595 HD1 HIS 69 HD1 HIS 69 22.414 -0.402 1.241
596 HD2 HIS 69 HD2 HIS 69 25.076 -0.269 4.432
597 HE1 HIS 69 HE1 HIS 69 23.876 -2.426 0.986
598 HE2 HIS 69 HE2 HIS 69 25.627 -2.175 2.776
599 H HIS 70 H HIS 70 21.718 1.238 7.070
600 HA HIS 70 HA HIS 70 21.112 4.110 7.164
601 HB2 HIS 70 HB2 HIS 70 19.622 2.295 8.241
602 HB3 HIS 70 HB3 HIS 70 20.886 2.168 9.457
603 HD1 HIS 70 HD1 HIS 70 18.011 4.200 8.406
604 HD2 HIS 70 HD2 HIS 70 21.177 4.519 11.089
605 HE1 HIS 70 HE1 HIS 70 17.394 6.077 9.970
606 HE2 HIS 70 HE2 HIS 70 19.208 6.083 11.720
607 H HIS 71 H HIS 71 22.630 5.482 7.849
608 HA HIS 71 HA HIS 71 25.226 4.529 8.498
609 HB2 HIS 71 HB2 HIS 71 24.031 7.301 8.648
610 HB3 HIS 71 HB3 HIS 71 25.734 6.950 8.939
611 HD1 HIS 71 HD1 HIS 71 24.268 8.597 6.482
612 HD2 HIS 71 HD2 HIS 71 26.149 4.890 6.385
613 HE1 HIS 71 HE1 HIS 71 24.911 8.218 4.080
614 HE2 HIS 71 HE2 HIS 71 25.835 5.873 4.021
615 H HIS 72 H HIS 72 25.999 3.900 10.338
616 HA HIS 72 HA HIS 72 24.298 3.589 12.553
617 HB2 HIS 72 HB2 HIS 72 26.176 2.537 13.660
618 HB3 HIS 72 HB3 HIS 72 26.111 2.007 11.985
619 HD1 HIS 72 HD1 HIS 72 27.950 3.088 10.359
620 HD2 HIS 72 HD2 HIS 72 28.546 3.677 14.433
621 HE1 HIS 72 HE1 HIS 72 30.353 3.790 10.604
622 HE2 HIS 72 HE2 HIS 72 30.742 3.882 13.091
623 H HIS 73 H HIS 73 23.945 4.752 14.303
624 HA HIS 73 HA HIS 73 25.522 7.184 14.715
625 HB2 HIS 73 HB2 HIS 73 22.958 6.227 16.006
626 HB3 HIS 73 HB3 HIS 73 23.784 7.720 16.435
627 HD1 HIS 73 HD1 HIS 73 24.240 9.237 14.022
628 HD2 HIS 73 HD2 HIS 73 20.921 6.747 14.329
629 HE1 HIS 73 HE1 HIS 73 22.589 10.090 12.326
630 HE2 HIS 73 HE2 HIS 73 20.508 8.718 12.703
631 H HIS 74 H HIS 74 25.271 3.994 15.764
632 HA HIS 74 HA HIS 74 26.891 4.583 18.154
633 HB2 HIS 74 HB2 HIS 74 25.519 1.981 17.430
634 HB3 HIS 74 HB3 HIS 74 26.361 2.331 18.932
635 HD1 HIS 74 HD1 HIS 74 25.123 3.846 20.661
636 HD2 HIS 74 HD2 HIS 74 22.922 2.918 17.257
637 HE1 HIS 74 HE1 HIS 74 22.745 4.460 21.201
638 HE2 HIS 74 HE2 HIS 74 21.410 3.681 19.206
Start of MODEL 11
1 H1 MET 1 H1 MET 1 -11.304 -5.275 -16.115
2 H2 MET 1 H2 MET 1 -11.732 -3.731 -16.670
3 H3 MET 1 H3 MET 1 -12.890 -4.706 -15.910
4 HA MET 1 HA MET 1 -11.605 -4.632 -13.856
5 HB2 MET 1 HB2 MET 1 -9.409 -4.209 -14.836
6 HB3 MET 1 HB3 MET 1 -9.948 -2.641 -15.421
7 HG2 MET 1 HG2 MET 1 -8.575 -2.407 -13.437
8 HG3 MET 1 HG3 MET 1 -10.223 -1.863 -13.136
9 HE1 MET 1 HE1 MET 1 -8.501 -5.869 -11.607
10 HE2 MET 1 HE2 MET 1 -7.580 -4.694 -12.547
11 HE3 MET 1 HE3 MET 1 -8.898 -5.590 -13.303
12 H ASN 2 H ASN 2 -12.855 -3.578 -12.488
13 HA ASN 2 HA ASN 2 -14.408 -1.317 -13.478
14 HB2 ASN 2 HB2 ASN 2 -15.801 -1.689 -11.455
15 HB3 ASN 2 HB3 ASN 2 -15.690 -3.114 -12.480
16 HD21 ASN 2 HD21 ASN 2 -16.330 -2.851 -9.632
17 HD22 ASN 2 HD22 ASN 2 -15.188 -3.850 -8.795
18 H GLN 3 H GLN 3 -14.879 0.443 -11.886
19 HA GLN 3 HA GLN 3 -12.753 0.953 -9.970
20 HB2 GLN 3 HB2 GLN 3 -12.419 3.257 -10.844
21 HB3 GLN 3 HB3 GLN 3 -11.866 2.004 -11.944
22 HG2 GLN 3 HG2 GLN 3 -13.918 2.271 -13.263
23 HG3 GLN 3 HG3 GLN 3 -14.443 3.547 -12.167
24 HE21 GLN 3 HE21 GLN 3 -13.436 5.544 -12.235
25 HE22 GLN 3 HE22 GLN 3 -12.402 6.014 -13.539
26 H ASN 4 H ASN 4 -13.266 2.909 -8.635
27 HA ASN 4 HA ASN 4 -16.185 3.220 -8.357
28 HB2 ASN 4 HB2 ASN 4 -14.131 2.881 -6.159
29 HB3 ASN 4 HB3 ASN 4 -15.811 3.329 -5.885
30 HD21 ASN 4 HD21 ASN 4 -17.423 1.799 -6.213
31 HD22 ASN 4 HD22 ASN 4 -17.076 0.103 -6.283
32 H LEU 5 H LEU 5 -16.775 5.168 -7.074
33 HA LEU 5 HA LEU 5 -15.383 7.493 -7.970
34 HB2 LEU 5 HB2 LEU 5 -17.396 7.280 -5.723
35 HB3 LEU 5 HB3 LEU 5 -16.962 8.733 -6.605
36 HG LEU 5 HG LEU 5 -18.416 6.348 -7.754
37 HD11 LEU 5 HD11 LEU 5 -19.807 7.609 -6.226
38 HD12 LEU 5 HD12 LEU 5 -20.319 7.887 -7.890
39 HD13 LEU 5 HD13 LEU 5 -19.378 9.111 -7.041
40 HD21 LEU 5 HD21 LEU 5 -17.703 9.001 -9.002
41 HD22 LEU 5 HD22 LEU 5 -18.716 7.755 -9.731
42 HD23 LEU 5 HD23 LEU 5 -17.011 7.433 -9.420
43 H GLN 6 H GLN 6 -15.731 5.826 -4.905
44 HA GLN 6 HA GLN 6 -13.060 6.321 -4.091
45 HB2 GLN 6 HB2 GLN 6 -13.553 7.622 -2.062
46 HB3 GLN 6 HB3 GLN 6 -13.972 8.527 -3.510
47 HG2 GLN 6 HG2 GLN 6 -16.315 7.991 -3.198
48 HG3 GLN 6 HG3 GLN 6 -15.922 7.016 -1.782
49 HE21 GLN 6 HE21 GLN 6 -15.301 8.032 0.118
50 HE22 GLN 6 HE22 GLN 6 -15.614 9.719 0.393
51 H GLY 7 H GLY 7 -12.618 5.201 -2.042
52 HA2 GLY 7 HA2 GLY 7 -13.319 3.751 -0.272
53 HA3 GLY 7 HA3 GLY 7 -14.793 3.416 -1.170
54 H GLU 8 H GLU 8 -12.172 3.452 -3.219
55 HA GLU 8 HA GLU 8 -12.214 0.612 -3.597
56 HB2 GLU 8 HB2 GLU 8 -10.520 0.981 -5.293
57 HB3 GLU 8 HB3 GLU 8 -11.789 2.184 -5.466
58 HG2 GLU 8 HG2 GLU 8 -9.306 2.788 -3.914
59 HG3 GLU 8 HG3 GLU 8 -9.332 2.913 -5.670
60 H TRP 9 H TRP 9 -10.520 2.824 -1.646
61 HA TRP 9 HA TRP 9 -8.090 1.666 -1.096
62 HB2 TRP 9 HB2 TRP 9 -9.563 3.691 -0.009
63 HB3 TRP 9 HB3 TRP 9 -9.636 2.503 1.283
64 HD1 TRP 9 HD1 TRP 9 -7.935 5.429 0.857
65 HE1 TRP 9 HE1 TRP 9 -5.515 5.429 1.718
66 HE3 TRP 9 HE3 TRP 9 -7.120 0.368 1.044
67 HZ2 TRP 9 HZ2 TRP 9 -3.521 3.540 2.379
68 HZ3 TRP 9 HZ3 TRP 9 -4.918 -0.443 1.796
69 HH2 TRP 9 HH2 TRP 9 -3.165 1.111 2.449
70 H MET 10 H MET 10 -11.220 0.929 0.421
71 HA MET 10 HA MET 10 -10.310 -1.077 2.149
72 HB2 MET 10 HB2 MET 10 -13.054 -0.768 0.911
73 HB3 MET 10 HB3 MET 10 -12.674 -1.725 2.332
74 HG2 MET 10 HG2 MET 10 -13.622 0.287 3.107
75 HG3 MET 10 HG3 MET 10 -11.893 0.391 3.429
76 HE1 MET 10 HE1 MET 10 -13.551 2.996 3.620
77 HE2 MET 10 HE2 MET 10 -12.565 4.113 2.676
78 HE3 MET 10 HE3 MET 10 -11.792 2.939 3.745
79 H LYS 11 H LYS 11 -11.447 -1.197 -1.168
80 HA LYS 11 HA LYS 11 -11.528 -4.035 -1.375
81 HB2 LYS 11 HB2 LYS 11 -12.707 -2.313 -2.859
82 HB3 LYS 11 HB3 LYS 11 -11.158 -2.089 -3.657
83 HG2 LYS 11 HG2 LYS 11 -12.389 -4.807 -3.435
84 HG3 LYS 11 HG3 LYS 11 -12.887 -3.686 -4.699
85 HD2 LYS 11 HD2 LYS 11 -10.066 -4.641 -4.214
86 HD3 LYS 11 HD3 LYS 11 -11.149 -5.240 -5.473
87 HE2 LYS 11 HE2 LYS 11 -11.257 -2.959 -6.411
88 HE3 LYS 11 HE3 LYS 11 -10.104 -2.425 -5.191
89 HZ1 LYS 11 HZ1 LYS 11 -8.485 -3.988 -6.089
90 HZ2 LYS 11 HZ2 LYS 11 -9.001 -2.889 -7.279
91 HZ3 LYS 11 HZ3 LYS 11 -9.594 -4.476 -7.280
92 H ASN 12 H ASN 12 -9.179 -1.572 -2.407
93 HA ASN 12 HA ASN 12 -7.215 -3.336 -3.398
94 HB2 ASN 12 HB2 ASN 12 -7.032 -0.524 -2.295
95 HB3 ASN 12 HB3 ASN 12 -5.664 -1.365 -3.008
96 HD21 ASN 12 HD21 ASN 12 -5.532 0.291 -4.565
97 HD22 ASN 12 HD22 ASN 12 -6.624 0.349 -5.913
98 H TYR 13 H TYR 13 -7.893 -2.082 -0.198
99 HA TYR 13 HA TYR 13 -5.486 -2.760 1.071
100 HB2 TYR 13 HB2 TYR 13 -7.439 -1.311 1.943
101 HB3 TYR 13 HB3 TYR 13 -8.177 -2.824 2.438
102 HD1 TYR 13 HD2 TYR 13 -5.544 -4.183 3.323
103 HD2 TYR 13 HD1 TYR 13 -7.197 -0.342 4.083
104 HE1 TYR 13 HE2 TYR 13 -4.299 -4.073 5.435
105 HE2 TYR 13 HE1 TYR 13 -5.952 -0.221 6.198
106 HH TYR 13 HH TYR 13 -3.405 -2.195 6.945
107 H GLU 14 H GLU 14 -8.591 -4.554 0.959
108 HA GLU 14 HA GLU 14 -7.619 -6.716 2.471
109 HB2 GLU 14 HB2 GLU 14 -9.597 -7.933 1.750
110 HB3 GLU 14 HB3 GLU 14 -10.005 -6.290 2.211
111 HG2 GLU 14 HG2 GLU 14 -10.222 -5.638 -0.086
112 HG3 GLU 14 HG3 GLU 14 -9.627 -7.206 -0.628
113 H GLU 15 H GLU 15 -7.448 -6.027 -0.957
114 HA GLU 15 HA GLU 15 -6.628 -8.591 -1.829
115 HB2 GLU 15 HB2 GLU 15 -5.917 -5.872 -2.949
116 HB3 GLU 15 HB3 GLU 15 -5.640 -7.402 -3.764
117 HG2 GLU 15 HG2 GLU 15 -8.095 -7.788 -3.725
118 HG3 GLU 15 HG3 GLU 15 -8.288 -6.156 -3.081
119 H LEU 16 H LEU 16 -4.927 -5.853 -0.441
120 HA LEU 16 HA LEU 16 -2.326 -7.017 -1.028
121 HB2 LEU 16 HB2 LEU 16 -2.875 -4.541 -1.251
122 HB3 LEU 16 HB3 LEU 16 -2.939 -4.487 0.497
123 HG LEU 16 HG LEU 16 -0.768 -3.755 -0.721
124 HD11 LEU 16 HD11 LEU 16 0.586 -4.498 1.149
125 HD12 LEU 16 HD12 LEU 16 -0.653 -5.671 1.590
126 HD13 LEU 16 HD13 LEU 16 -0.998 -3.943 1.693
127 HD21 LEU 16 HD21 LEU 16 -0.530 -5.710 -2.138
128 HD22 LEU 16 HD22 LEU 16 -0.428 -6.746 -0.716
129 HD23 LEU 16 HD23 LEU 16 0.844 -5.569 -1.042
130 H LYS 17 H LYS 17 -4.465 -6.374 1.643
131 HA LYS 17 HA LYS 17 -2.784 -6.956 3.786
132 HB2 LYS 17 HB2 LYS 17 -4.981 -5.940 4.038
133 HB3 LYS 17 HB3 LYS 17 -5.753 -7.411 3.466
134 HG2 LYS 17 HG2 LYS 17 -5.055 -8.602 5.407
135 HG3 LYS 17 HG3 LYS 17 -4.086 -7.230 5.950
136 HD2 LYS 17 HD2 LYS 17 -6.104 -5.882 6.191
137 HD3 LYS 17 HD3 LYS 17 -7.084 -7.233 5.613
138 HE2 LYS 17 HE2 LYS 17 -6.478 -8.557 7.530
139 HE3 LYS 17 HE3 LYS 17 -5.352 -7.316 8.079
140 HZ1 LYS 17 HZ1 LYS 17 -7.104 -5.869 8.602
141 HZ2 LYS 17 HZ2 LYS 17 -7.593 -7.384 9.201
142 HZ3 LYS 17 HZ3 LYS 17 -8.245 -6.791 7.753
143 H SER 18 H SER 18 -4.921 -9.090 1.933
144 HA SER 18 HA SER 18 -4.149 -11.468 3.282
145 HB2 SER 18 HB2 SER 18 -6.281 -11.142 1.989
146 HB3 SER 18 HB3 SER 18 -5.333 -11.187 0.506
147 HG SER 18 HG SER 18 -6.225 -13.218 0.976
148 H PHE 19 H PHE 19 -2.830 -9.636 0.645
149 HA PHE 19 HA PHE 19 -1.197 -11.728 -0.421
150 HB2 PHE 19 HB2 PHE 19 -1.987 -9.673 -1.671
151 HB3 PHE 19 HB3 PHE 19 -0.803 -8.751 -0.752
152 HD1 PHE 19 HD1 PHE 19 1.583 -9.034 -1.165
153 HD2 PHE 19 HD2 PHE 19 -1.332 -11.160 -3.422
154 HE1 PHE 19 HE1 PHE 19 3.291 -9.586 -2.843
155 HE2 PHE 19 HE2 PHE 19 0.376 -11.722 -5.101
156 HZ PHE 19 HZ PHE 19 2.690 -10.937 -4.812
157 H VAL 20 H VAL 20 -0.545 -8.850 1.570
158 HA VAL 20 HA VAL 20 2.206 -9.313 1.871
159 HB VAL 20 HB VAL 20 1.071 -7.135 2.299
160 HG11 VAL 20 HG11 VAL 20 0.096 -6.704 4.485
161 HG12 VAL 20 HG12 VAL 20 0.301 -8.400 4.920
162 HG13 VAL 20 HG13 VAL 20 -0.804 -7.952 3.620
163 HG21 VAL 20 HG21 VAL 20 2.843 -8.184 4.498
164 HG22 VAL 20 HG22 VAL 20 2.518 -6.481 4.184
165 HG23 VAL 20 HG23 VAL 20 3.365 -7.454 2.981
166 H ARG 21 H ARG 21 -0.537 -10.501 3.763
167 HA ARG 21 HA ARG 21 1.145 -11.484 5.871
168 HB2 ARG 21 HB2 ARG 21 -0.878 -12.606 6.719
169 HB3 ARG 21 HB3 ARG 21 -1.145 -10.902 6.399
170 HG2 ARG 21 HG2 ARG 21 -3.058 -11.791 5.542
171 HG3 ARG 21 HG3 ARG 21 -2.042 -11.811 4.102
172 HD2 ARG 21 HD2 ARG 21 -1.468 -14.167 4.595
173 HD3 ARG 21 HD3 ARG 21 -2.595 -14.127 5.952
174 HE ARG 21 HE ARG 21 -4.113 -13.319 3.865
175 HH11 ARG 21 HH11 ARG 21 -2.110 -16.135 4.448
176 HH12 ARG 21 HH12 ARG 21 -2.981 -17.133 3.314
177 HH21 ARG 21 HH21 ARG 21 -5.231 -14.605 2.374
178 HH22 ARG 21 HH22 ARG 21 -4.761 -16.263 2.128
179 H LYS 22 H LYS 22 0.260 -12.640 2.779
180 HA LYS 22 HA LYS 22 0.895 -15.402 3.492
181 HB2 LYS 22 HB2 LYS 22 -1.072 -14.925 2.051
182 HB3 LYS 22 HB3 LYS 22 0.013 -14.280 0.829
183 HG2 LYS 22 HG2 LYS 22 1.090 -16.481 0.641
184 HG3 LYS 22 HG3 LYS 22 -0.044 -17.119 1.834
185 HD2 LYS 22 HD2 LYS 22 -1.909 -16.533 0.334
186 HD3 LYS 22 HD3 LYS 22 -0.746 -15.962 -0.864
187 HE2 LYS 22 HE2 LYS 22 -0.945 -18.778 0.200
188 HE3 LYS 22 HE3 LYS 22 -1.540 -18.233 -1.365
189 HZ1 LYS 22 HZ1 LYS 22 1.292 -18.337 -0.466
190 HZ2 LYS 22 HZ2 LYS 22 0.786 -17.625 -1.916
191 HZ3 LYS 22 HZ3 LYS 22 0.565 -19.280 -1.670
192 H TYR 23 H TYR 23 1.941 -12.964 1.091
193 HA TYR 23 HA TYR 23 4.258 -14.633 0.479
194 HB2 TYR 23 HB2 TYR 23 3.275 -12.092 -0.832
195 HB3 TYR 23 HB3 TYR 23 4.593 -13.104 -1.414
196 HD1 TYR 23 HD1 TYR 23 4.135 -15.290 -2.417
197 HD2 TYR 23 HD2 TYR 23 0.970 -12.758 -1.125
198 HE1 TYR 23 HE1 TYR 23 2.529 -16.649 -3.691
199 HE2 TYR 23 HE2 TYR 23 -0.639 -14.112 -2.393
200 HH TYR 23 HH TYR 23 -0.607 -15.660 -4.359
201 H ARG 24 H ARG 24 3.464 -11.909 2.330
202 HA ARG 24 HA ARG 24 4.615 -10.345 3.472
203 HB2 ARG 24 HB2 ARG 24 6.969 -12.178 2.987
204 HB3 ARG 24 HB3 ARG 24 6.974 -10.800 4.083
205 HG2 ARG 24 HG2 ARG 24 5.274 -13.276 4.305
206 HG3 ARG 24 HG3 ARG 24 6.631 -12.822 5.338
207 HD2 ARG 24 HD2 ARG 24 4.127 -11.180 5.030
208 HD3 ARG 24 HD3 ARG 24 4.364 -12.364 6.305
209 HE ARG 24 HE ARG 24 6.539 -10.744 6.518
210 HH11 ARG 24 HH11 ARG 24 3.091 -10.142 6.409
211 HH12 ARG 24 HH12 ARG 24 3.153 -8.784 7.484
212 HH21 ARG 24 HH21 ARG 24 6.645 -8.971 7.944
213 HH22 ARG 24 HH22 ARG 24 5.194 -8.124 8.385
214 H ARG 25 H ARG 25 4.243 -8.761 2.056
215 HA ARG 25 HA ARG 25 4.639 -7.076 0.604
216 HB2 ARG 25 HB2 ARG 25 7.458 -8.035 0.953
217 HB3 ARG 25 HB3 ARG 25 7.079 -6.825 -0.261
218 HG2 ARG 25 HG2 ARG 25 7.784 -5.638 1.625
219 HG3 ARG 25 HG3 ARG 25 6.027 -5.485 1.611
220 HD2 ARG 25 HD2 ARG 25 6.786 -5.938 3.841
221 HD3 ARG 25 HD3 ARG 25 5.885 -7.322 3.241
222 HE ARG 25 HE ARG 25 8.448 -7.951 2.633
223 HH11 ARG 25 HH11 ARG 25 6.886 -6.966 5.635
224 HH12 ARG 25 HH12 ARG 25 8.007 -7.845 6.636
225 HH21 ARG 25 HH21 ARG 25 9.876 -9.098 3.939
226 HH22 ARG 25 HH22 ARG 25 9.708 -9.066 5.669
227 H PHE 26 H PHE 26 5.563 -6.653 -1.677
228 HA PHE 26 HA PHE 26 4.624 -8.735 -3.407
229 HB2 PHE 26 HB2 PHE 26 6.151 -6.217 -4.115
230 HB3 PHE 26 HB3 PHE 26 5.256 -7.235 -5.235
231 HD1 PHE 26 HD1 PHE 26 2.793 -7.308 -5.138
232 HD2 PHE 26 HD2 PHE 26 5.074 -4.610 -2.771
233 HE1 PHE 26 HE1 PHE 26 0.780 -5.949 -4.749
234 HE2 PHE 26 HE2 PHE 26 3.069 -3.248 -2.376
235 HZ PHE 26 HZ PHE 26 0.923 -3.924 -3.365
236 HA PRO 27 HA PRO 27 8.594 -10.710 -4.163
237 HB2 PRO 27 HB2 PRO 27 7.922 -11.997 -6.456
238 HB3 PRO 27 HB3 PRO 27 7.421 -12.569 -4.863
239 HG2 PRO 27 HG2 PRO 27 5.868 -11.025 -6.898
240 HG3 PRO 27 HG3 PRO 27 5.341 -12.368 -5.866
241 HD2 PRO 27 HD2 PRO 27 4.777 -9.757 -5.326
242 HD3 PRO 27 HD3 PRO 27 4.956 -10.993 -4.065
243 H LYS 28 H LYS 28 6.764 -8.845 -6.470
244 HA LYS 28 HA LYS 28 8.915 -7.208 -7.235
245 HB2 LYS 28 HB2 LYS 28 9.494 -9.337 -8.497
246 HB3 LYS 28 HB3 LYS 28 8.019 -9.095 -9.421
247 HG2 LYS 28 HG2 LYS 28 9.755 -8.232 -10.745
248 HG3 LYS 28 HG3 LYS 28 8.944 -6.826 -10.051
249 HD2 LYS 28 HD2 LYS 28 11.382 -6.599 -9.960
250 HD3 LYS 28 HD3 LYS 28 10.675 -6.657 -8.343
251 HE2 LYS 28 HE2 LYS 28 12.712 -8.033 -8.526
252 HE3 LYS 28 HE3 LYS 28 11.287 -8.986 -8.119
253 HZ1 LYS 28 HZ1 LYS 28 12.599 -10.102 -9.790
254 HZ2 LYS 28 HZ2 LYS 28 12.518 -8.752 -10.812
255 HZ3 LYS 28 HZ3 LYS 28 11.113 -9.636 -10.458
256 H SER 29 H SER 29 6.572 -8.443 -9.505
257 HA SER 29 HA SER 29 4.328 -6.934 -8.979
258 HB2 SER 29 HB2 SER 29 4.557 -5.144 -10.745
259 HB3 SER 29 HB3 SER 29 5.586 -4.906 -9.334
260 HG SER 29 HG SER 29 6.567 -6.281 -11.590
261 H THR 30 H THR 30 3.110 -8.530 -9.817
262 HA THR 30 HA THR 30 3.123 -8.985 -12.664
263 HB THR 30 HB THR 30 4.981 -10.437 -11.989
264 HG1 THR 30 HG1 THR 30 2.568 -11.641 -12.859
265 HG21 THR 30 HG21 THR 30 4.315 -10.883 -9.681
266 HG22 THR 30 HG22 THR 30 4.584 -12.388 -10.560
267 HG23 THR 30 HG23 THR 30 2.941 -11.830 -10.252
268 H GLU 31 H GLU 31 1.551 -8.671 -9.856
269 HA GLU 31 HA GLU 31 -0.565 -10.601 -10.441
270 HB2 GLU 31 HB2 GLU 31 -1.521 -9.757 -8.227
271 HB3 GLU 31 HB3 GLU 31 -0.037 -10.690 -8.152
272 HG2 GLU 31 HG2 GLU 31 -0.106 -7.685 -8.099
273 HG3 GLU 31 HG3 GLU 31 -0.146 -8.690 -6.650
274 H GLY 32 H GLY 32 -2.750 -9.192 -9.332
275 HA2 GLY 32 HA2 GLY 32 -3.507 -7.823 -11.741
276 HA3 GLY 32 HA3 GLY 32 -4.523 -8.108 -10.340
277 H ASN 33 H ASN 33 -5.177 -6.361 -9.318
278 HA ASN 33 HA ASN 33 -4.462 -3.785 -10.145
279 HB2 ASN 33 HB2 ASN 33 -6.631 -4.207 -9.192
280 HB3 ASN 33 HB3 ASN 33 -5.918 -4.724 -7.670
281 HD21 ASN 33 HD21 ASN 33 -5.362 -3.223 -6.170
282 HD22 ASN 33 HD22 ASN 33 -5.652 -1.528 -6.352
283 H LEU 34 H LEU 34 -3.270 -5.744 -7.498
284 HA LEU 34 HA LEU 34 -2.028 -3.736 -5.987
285 HB2 LEU 34 HB2 LEU 34 -1.200 -6.612 -6.323
286 HB3 LEU 34 HB3 LEU 34 -0.664 -5.538 -5.048
287 HG LEU 34 HG LEU 34 -3.504 -6.473 -5.475
288 HD11 LEU 34 HD11 LEU 34 -3.166 -7.720 -3.412
289 HD12 LEU 34 HD12 LEU 34 -1.489 -7.175 -3.347
290 HD13 LEU 34 HD13 LEU 34 -2.024 -8.232 -4.655
291 HD21 LEU 34 HD21 LEU 34 -3.445 -4.231 -4.549
292 HD22 LEU 34 HD22 LEU 34 -2.291 -4.747 -3.320
293 HD23 LEU 34 HD23 LEU 34 -3.936 -5.386 -3.310
294 H GLY 35 H GLY 35 -0.892 -5.571 -8.770
295 HA2 GLY 35 HA2 GLY 35 1.822 -4.880 -8.683
296 HA3 GLY 35 HA3 GLY 35 0.932 -5.298 -10.140
297 H GLY 36 H GLY 36 -0.939 -3.180 -10.061
298 HA2 GLY 36 HA2 GLY 36 0.706 -1.024 -11.072
299 HA3 GLY 36 HA3 GLY 36 -1.051 -1.086 -11.074
300 H TRP 37 H TRP 37 -1.402 -1.611 -8.319
301 HA TRP 37 HA TRP 37 -1.618 0.950 -7.276
302 HB2 TRP 37 HB2 TRP 37 -2.743 -1.253 -6.535
303 HB3 TRP 37 HB3 TRP 37 -1.315 -1.486 -5.534
304 HD1 TRP 37 HD1 TRP 37 -3.630 1.576 -6.123
305 HE1 TRP 37 HE1 TRP 37 -4.282 2.528 -3.827
306 HE3 TRP 37 HE3 TRP 37 -1.155 -1.748 -3.123
307 HZ2 TRP 37 HZ2 TRP 37 -3.823 1.936 -1.105
308 HZ3 TRP 37 HZ3 TRP 37 -1.315 -1.490 -0.690
309 HH2 TRP 37 HH2 TRP 37 -2.621 0.318 0.299
310 H CYS 38 H CYS 38 0.907 -1.482 -6.752
311 HA CYS 38 HA CYS 38 2.403 0.013 -4.878
312 HB2 CYS 38 HB2 CYS 38 2.661 -2.428 -5.238
313 HB3 CYS 38 HB3 CYS 38 3.380 -2.103 -6.810
314 HG CYS 38 HG CYS 38 5.562 -2.704 -5.379
315 H HIS 39 H HIS 39 2.443 -0.143 -8.392
316 HA HIS 39 HA HIS 39 4.855 1.333 -8.723
317 HB2 HIS 39 HB2 HIS 39 2.684 0.385 -10.538
318 HB3 HIS 39 HB3 HIS 39 3.777 1.632 -11.127
319 HD1 HIS 39 HD1 HIS 39 3.500 -1.979 -10.649
320 HD2 HIS 39 HD2 HIS 39 6.570 0.789 -11.093
321 HE1 HIS 39 HE1 HIS 39 5.538 -3.319 -11.261
322 HE2 HIS 39 HE2 HIS 39 7.422 -1.644 -11.253
323 H THR 40 H THR 40 1.447 2.212 -8.659
324 HA THR 40 HA THR 40 1.804 4.891 -9.522
325 HB THR 40 HB THR 40 -0.422 3.869 -7.752
326 HG1 THR 40 HG1 THR 40 0.260 3.164 -10.312
327 HG21 THR 40 HG21 THR 40 -1.758 5.556 -8.939
328 HG22 THR 40 HG22 THR 40 -0.323 6.055 -9.834
329 HG23 THR 40 HG23 THR 40 -0.398 6.286 -8.088
330 H GLN 41 H GLN 41 1.586 3.391 -6.316
331 HA GLN 41 HA GLN 41 1.770 5.894 -4.938
332 HB2 GLN 41 HB2 GLN 41 1.589 3.033 -4.176
333 HB3 GLN 41 HB3 GLN 41 2.254 4.143 -2.986
334 HG2 GLN 41 HG2 GLN 41 -0.251 3.672 -2.907
335 HG3 GLN 41 HG3 GLN 41 0.273 5.350 -2.815
336 HE21 GLN 41 HE21 GLN 41 -1.275 2.933 -4.790
337 HE22 GLN 41 HE22 GLN 41 -1.952 4.030 -5.938
338 H ARG 42 H ARG 42 4.044 3.703 -6.248
339 HA ARG 42 HA ARG 42 6.328 4.257 -4.723
340 HB2 ARG 42 HB2 ARG 42 6.308 2.508 -6.398
341 HB3 ARG 42 HB3 ARG 42 5.987 3.669 -7.673
342 HG2 ARG 42 HG2 ARG 42 8.280 2.948 -7.762
343 HG3 ARG 42 HG3 ARG 42 8.206 4.653 -7.320
344 HD2 ARG 42 HD2 ARG 42 8.752 4.209 -5.081
345 HD3 ARG 42 HD3 ARG 42 8.405 2.489 -5.248
346 HE ARG 42 HE ARG 42 10.451 2.227 -6.439
347 HH11 ARG 42 HH11 ARG 42 9.974 5.443 -5.168
348 HH12 ARG 42 HH12 ARG 42 11.660 5.857 -5.206
349 HH21 ARG 42 HH21 ARG 42 12.671 2.751 -6.493
350 HH22 ARG 42 HH22 ARG 42 13.206 4.312 -5.943
351 H LYS 43 H LYS 43 4.697 6.034 -7.246
352 HA LYS 43 HA LYS 43 6.685 8.016 -7.666
353 HB2 LYS 43 HB2 LYS 43 5.018 7.356 -9.326
354 HB3 LYS 43 HB3 LYS 43 3.729 7.894 -8.263
355 HG2 LYS 43 HG2 LYS 43 5.013 10.180 -8.428
356 HG3 LYS 43 HG3 LYS 43 5.592 9.468 -9.938
357 HD2 LYS 43 HD2 LYS 43 2.738 9.911 -9.092
358 HD3 LYS 43 HD3 LYS 43 3.603 10.693 -10.402
359 HE2 LYS 43 HE2 LYS 43 3.047 7.745 -10.286
360 HE3 LYS 43 HE3 LYS 43 2.018 8.904 -11.123
361 HZ1 LYS 43 HZ1 LYS 43 3.494 7.885 -12.679
362 HZ2 LYS 43 HZ2 LYS 43 4.856 8.267 -11.742
363 HZ3 LYS 43 HZ3 LYS 43 3.967 9.504 -12.491
364 H MET 44 H MET 44 3.599 7.915 -5.903
365 HA MET 44 HA MET 44 3.585 10.599 -5.056
366 HB2 MET 44 HB2 MET 44 2.325 8.358 -3.485
367 HB3 MET 44 HB3 MET 44 1.762 10.013 -3.661
368 HG2 MET 44 HG2 MET 44 1.703 7.831 -5.725
369 HG3 MET 44 HG3 MET 44 0.333 8.592 -4.920
370 HE1 MET 44 HE1 MET 44 1.014 8.160 -8.121
371 HE2 MET 44 HE2 MET 44 0.281 9.630 -8.770
372 HE3 MET 44 HE3 MET 44 -0.554 8.703 -7.521
373 H ARG 45 H ARG 45 5.103 7.751 -3.778
374 HA ARG 45 HA ARG 45 5.577 8.601 -1.144
375 HB2 ARG 45 HB2 ARG 45 5.928 6.282 -1.855
376 HB3 ARG 45 HB3 ARG 45 7.271 6.788 -2.872
377 HG2 ARG 45 HG2 ARG 45 8.082 7.783 -0.507
378 HG3 ARG 45 HG3 ARG 45 7.138 6.402 0.048
379 HD2 ARG 45 HD2 ARG 45 9.314 6.250 -2.023
380 HD3 ARG 45 HD3 ARG 45 9.551 5.918 -0.310
381 HE ARG 45 HE ARG 45 7.475 4.285 -1.155
382 HH11 ARG 45 HH11 ARG 45 10.847 4.765 -1.936
383 HH12 ARG 45 HH12 ARG 45 11.142 3.088 -2.309
384 HH21 ARG 45 HH21 ARG 45 7.844 2.059 -1.643
385 HH22 ARG 45 HH22 ARG 45 9.436 1.543 -2.123
386 H LYS 46 H LYS 46 7.618 8.908 -4.041
387 HA LYS 46 HA LYS 46 9.693 10.237 -2.586
388 HB2 LYS 46 HB2 LYS 46 10.736 10.486 -4.820
389 HB3 LYS 46 HB3 LYS 46 10.322 8.831 -4.418
390 HG2 LYS 46 HG2 LYS 46 8.376 8.940 -5.844
391 HG3 LYS 46 HG3 LYS 46 8.702 10.642 -6.195
392 HD2 LYS 46 HD2 LYS 46 10.552 8.349 -6.847
393 HD3 LYS 46 HD3 LYS 46 9.462 9.128 -7.993
394 HE2 LYS 46 HE2 LYS 46 10.620 11.227 -7.733
395 HE3 LYS 46 HE3 LYS 46 11.641 10.546 -6.470
396 HZ1 LYS 46 HZ1 LYS 46 11.589 9.570 -9.270
397 HZ2 LYS 46 HZ2 LYS 46 12.669 9.109 -8.048
398 HZ3 LYS 46 HZ3 LYS 46 12.716 10.686 -8.669
399 H GLN 47 H GLN 47 6.844 11.196 -4.213
400 HA GLN 47 HA GLN 47 7.686 13.942 -4.530
401 HB2 GLN 47 HB2 GLN 47 5.114 12.466 -5.015
402 HB3 GLN 47 HB3 GLN 47 5.162 14.222 -5.047
403 HG2 GLN 47 HG2 GLN 47 6.895 14.120 -6.796
404 HG3 GLN 47 HG3 GLN 47 6.766 12.362 -6.786
405 HE21 GLN 47 HE21 GLN 47 6.189 12.347 -8.947
406 HE22 GLN 47 HE22 GLN 47 4.606 12.811 -9.479
407 H GLY 48 H GLY 48 6.544 12.006 -2.016
408 HA2 GLY 48 HA2 GLY 48 6.042 12.522 0.172
409 HA3 GLY 48 HA3 GLY 48 6.448 14.193 -0.194
410 H LYS 49 H LYS 49 4.049 12.500 -2.044
411 HA LYS 49 HA LYS 49 2.011 14.253 -0.842
412 HB2 LYS 49 HB2 LYS 49 0.782 13.997 -2.991
413 HB3 LYS 49 HB3 LYS 49 2.331 14.810 -3.153
414 HG2 LYS 49 HG2 LYS 49 3.333 12.894 -4.119
415 HG3 LYS 49 HG3 LYS 49 1.944 11.886 -3.709
416 HD2 LYS 49 HD2 LYS 49 1.805 14.249 -5.575
417 HD3 LYS 49 HD3 LYS 49 2.068 12.589 -6.113
418 HE2 LYS 49 HE2 LYS 49 -0.055 11.909 -5.166
419 HE3 LYS 49 HE3 LYS 49 -0.310 13.526 -4.511
420 HZ1 LYS 49 HZ1 LYS 49 -0.503 14.411 -6.690
421 HZ2 LYS 49 HZ2 LYS 49 -1.524 13.058 -6.613
422 HZ3 LYS 49 HZ3 LYS 49 -0.027 12.952 -7.408
423 H LEU 50 H LEU 50 3.069 11.177 -0.853
424 HA LEU 50 HA LEU 50 0.736 9.625 -1.019
425 HB2 LEU 50 HB2 LEU 50 3.462 9.338 -0.005
426 HB3 LEU 50 HB3 LEU 50 2.302 8.443 0.949
427 HG LEU 50 HG LEU 50 2.890 8.119 -1.990
428 HD11 LEU 50 HD11 LEU 50 4.514 7.094 -0.505
429 HD12 LEU 50 HD12 LEU 50 3.543 5.855 -1.300
430 HD13 LEU 50 HD13 LEU 50 3.224 6.286 0.381
431 HD21 LEU 50 HD21 LEU 50 0.481 7.881 -1.571
432 HD22 LEU 50 HD22 LEU 50 0.830 6.678 -0.329
433 HD23 LEU 50 HD23 LEU 50 1.239 6.351 -2.012
434 HA PRO 51 HA PRO 51 -1.361 10.823 2.773
435 HB2 PRO 51 HB2 PRO 51 -2.544 8.125 2.631
436 HB3 PRO 51 HB3 PRO 51 -3.343 9.700 2.642
437 HG2 PRO 51 HG2 PRO 51 -3.225 8.193 0.424
438 HG3 PRO 51 HG3 PRO 51 -3.144 9.964 0.357
439 HD2 PRO 51 HD2 PRO 51 -0.941 7.954 0.127
440 HD3 PRO 51 HD3 PRO 51 -1.182 9.474 -0.754
441 H ASN 52 H ASN 52 -0.509 10.690 4.711
442 HA ASN 52 HA ASN 52 1.457 8.860 5.472
443 HB2 ASN 52 HB2 ASN 52 1.435 10.941 6.589
444 HB3 ASN 52 HB3 ASN 52 -0.259 10.777 7.037
445 HD21 ASN 52 HD21 ASN 52 -0.790 9.825 8.894
446 HD22 ASN 52 HD22 ASN 52 0.348 9.144 10.002
447 H ASP 53 H ASP 53 -2.024 8.844 5.916
448 HA ASP 53 HA ASP 53 -2.150 6.603 7.646
449 HB2 ASP 53 HB2 ASP 53 -4.162 7.664 5.649
450 HB3 ASP 53 HB3 ASP 53 -4.503 6.377 6.803
451 H ARG 54 H ARG 54 -2.377 6.882 4.126
452 HA ARG 54 HA ARG 54 -2.559 4.181 3.458
453 HB2 ARG 54 HB2 ARG 54 -2.899 5.580 1.656
454 HB3 ARG 54 HB3 ARG 54 -1.581 6.651 2.094
455 HG2 ARG 54 HG2 ARG 54 -1.060 5.559 0.033
456 HG3 ARG 54 HG3 ARG 54 0.019 4.950 1.283
457 HD2 ARG 54 HD2 ARG 54 -1.350 2.931 1.482
458 HD3 ARG 54 HD3 ARG 54 -2.448 3.551 0.251
459 HE ARG 54 HE ARG 54 -0.958 2.928 -1.362
460 HH11 ARG 54 HH11 ARG 54 0.664 2.893 1.743
461 HH12 ARG 54 HH12 ARG 54 2.091 2.117 1.132
462 HH21 ARG 54 HH21 ARG 54 0.921 1.888 -2.169
463 HH22 ARG 54 HH22 ARG 54 2.237 1.546 -1.097
464 H ARG 55 H ARG 55 0.227 6.111 4.349
465 HA ARG 55 HA ARG 55 2.149 4.084 3.760
466 HB2 ARG 55 HB2 ARG 55 2.982 6.272 3.768
467 HB3 ARG 55 HB3 ARG 55 2.190 6.672 5.281
468 HG2 ARG 55 HG2 ARG 55 4.282 4.576 5.362
469 HG3 ARG 55 HG3 ARG 55 4.800 6.244 5.097
470 HD2 ARG 55 HD2 ARG 55 3.410 6.871 7.092
471 HD3 ARG 55 HD3 ARG 55 3.205 5.153 7.403
472 HE ARG 55 HE ARG 55 5.721 5.102 7.546
473 HH11 ARG 55 HH11 ARG 55 3.896 8.010 8.276
474 HH12 ARG 55 HH12 ARG 55 5.080 8.625 9.390
475 HH21 ARG 55 HH21 ARG 55 7.258 5.890 9.033
476 HH22 ARG 55 HH22 ARG 55 6.975 7.406 9.839
477 H LEU 56 H LEU 56 0.321 5.010 6.636
478 HA LEU 56 HA LEU 56 1.754 3.241 8.382
479 HB2 LEU 56 HB2 LEU 56 0.741 5.240 9.279
480 HB3 LEU 56 HB3 LEU 56 -0.842 4.743 8.711
481 HG LEU 56 HG LEU 56 -0.771 2.826 10.296
482 HD11 LEU 56 HD11 LEU 56 1.753 4.159 11.278
483 HD12 LEU 56 HD12 LEU 56 1.646 2.583 10.487
484 HD13 LEU 56 HD13 LEU 56 0.912 2.827 12.073
485 HD21 LEU 56 HD21 LEU 56 -1.109 4.166 12.324
486 HD22 LEU 56 HD22 LEU 56 -1.906 4.874 10.918
487 HD23 LEU 56 HD23 LEU 56 -0.393 5.558 11.510
488 H LEU 57 H LEU 57 -1.323 3.118 6.638
489 HA LEU 57 HA LEU 57 -2.379 0.816 7.819
490 HB2 LEU 57 HB2 LEU 57 -2.734 1.808 4.987
491 HB3 LEU 57 HB3 LEU 57 -3.739 0.601 5.762
492 HG LEU 57 HG LEU 57 -3.519 3.518 6.484
493 HD11 LEU 57 HD11 LEU 57 -5.814 1.868 5.444
494 HD12 LEU 57 HD12 LEU 57 -4.890 3.063 4.535
495 HD13 LEU 57 HD13 LEU 57 -5.886 3.573 5.896
496 HD21 LEU 57 HD21 LEU 57 -3.693 2.189 8.514
497 HD22 LEU 57 HD22 LEU 57 -5.101 1.352 7.857
498 HD23 LEU 57 HD23 LEU 57 -5.183 3.080 8.207
499 H LEU 58 H LEU 58 -0.059 1.199 5.231
500 HA LEU 58 HA LEU 58 0.038 -1.553 4.504
501 HB2 LEU 58 HB2 LEU 58 1.649 0.877 3.922
502 HB3 LEU 58 HB3 LEU 58 2.403 -0.681 3.646
503 HG LEU 58 HG LEU 58 1.289 0.401 1.640
504 HD11 LEU 58 HD11 LEU 58 0.340 -2.334 2.464
505 HD12 LEU 58 HD12 LEU 58 1.887 -1.960 1.703
506 HD13 LEU 58 HD13 LEU 58 0.383 -1.699 0.819
507 HD21 LEU 58 HD21 LEU 58 -1.207 -0.427 3.120
508 HD22 LEU 58 HD22 LEU 58 -1.135 0.092 1.436
509 HD23 LEU 58 HD23 LEU 58 -0.728 1.222 2.726
510 H ASP 59 H ASP 59 1.971 0.517 6.614
511 HA ASP 59 HA ASP 59 3.854 -1.408 7.421
512 HB2 ASP 59 HB2 ASP 59 4.198 0.960 7.865
513 HB3 ASP 59 HB3 ASP 59 2.777 1.000 8.904
514 H LYS 60 H LYS 60 0.620 -0.665 8.499
515 HA LYS 60 HA LYS 60 0.427 -1.962 10.916
516 HB2 LYS 60 HB2 LYS 60 -1.464 -1.449 8.648
517 HB3 LYS 60 HB3 LYS 60 -1.991 -2.382 10.029
518 HG2 LYS 60 HG2 LYS 60 -0.845 0.377 10.248
519 HG3 LYS 60 HG3 LYS 60 -2.568 0.048 10.081
520 HD2 LYS 60 HD2 LYS 60 -2.486 -1.298 12.136
521 HD3 LYS 60 HD3 LYS 60 -0.775 -0.897 12.312
522 HE2 LYS 60 HE2 LYS 60 -1.320 1.458 12.497
523 HE3 LYS 60 HE3 LYS 60 -3.027 1.109 12.232
524 HZ1 LYS 60 HZ1 LYS 60 -2.569 1.421 14.568
525 HZ2 LYS 60 HZ2 LYS 60 -1.395 0.201 14.541
526 HZ3 LYS 60 HZ3 LYS 60 -3.023 -0.186 14.284
527 H ILE 61 H ILE 61 0.037 -3.273 7.650
528 HA ILE 61 HA ILE 61 -0.538 -5.919 8.706
529 HB ILE 61 HB ILE 61 -0.812 -6.478 6.239
530 HG12 ILE 61 HG12 ILE 61 -0.590 -3.465 6.053
531 HG13 ILE 61 HG13 ILE 61 0.488 -4.638 5.307
532 HG21 ILE 61 HG21 ILE 61 -2.677 -6.075 7.766
533 HG22 ILE 61 HG22 ILE 61 -3.027 -5.451 6.154
534 HG23 ILE 61 HG23 ILE 61 -2.565 -4.342 7.447
535 HD11 ILE 61 HD11 ILE 61 -2.415 -4.221 4.639
536 HD12 ILE 61 HD12 ILE 61 -1.349 -5.412 3.892
537 HD13 ILE 61 HD13 ILE 61 -1.032 -3.690 3.681
538 H GLY 62 H GLY 62 2.233 -4.276 8.118
539 HA2 GLY 62 HA2 GLY 62 4.298 -5.378 8.585
540 HA3 GLY 62 HA3 GLY 62 3.652 -6.831 7.845
541 H PHE 63 H PHE 63 3.208 -3.829 6.179
542 HA PHE 63 HA PHE 63 5.151 -4.662 4.178
543 HB2 PHE 63 HB2 PHE 63 2.838 -3.746 3.597
544 HB3 PHE 63 HB3 PHE 63 3.428 -2.178 4.132
545 HD1 PHE 63 HD2 PHE 63 5.150 -0.994 2.850
546 HD2 PHE 63 HD1 PHE 63 3.541 -4.707 1.535
547 HE1 PHE 63 HE2 PHE 63 6.054 -0.585 0.597
548 HE2 PHE 63 HE1 PHE 63 4.439 -4.307 -0.714
549 HZ PHE 63 HZ PHE 63 5.696 -2.244 -1.189
550 H VAL 64 H VAL 64 7.151 -4.253 4.761
551 HA VAL 64 HA VAL 64 7.744 -2.126 6.579
552 HB VAL 64 HB VAL 64 8.743 -4.364 6.799
553 HG11 VAL 64 HG11 VAL 64 10.608 -5.016 5.326
554 HG12 VAL 64 HG12 VAL 64 10.226 -3.648 4.282
555 HG13 VAL 64 HG13 VAL 64 9.058 -4.953 4.485
556 HG21 VAL 64 HG21 VAL 64 10.740 -2.156 6.348
557 HG22 VAL 64 HG22 VAL 64 11.037 -3.634 7.261
558 HG23 VAL 64 HG23 VAL 64 9.845 -2.468 7.835
559 H TRP 65 H TRP 65 8.490 -0.187 6.110
560 HA TRP 65 HA TRP 65 9.221 0.472 3.368
561 HB2 TRP 65 HB2 TRP 65 9.076 2.306 5.771
562 HB3 TRP 65 HB3 TRP 65 9.169 2.787 4.083
563 HD1 TRP 65 HD1 TRP 65 6.711 1.493 6.703
564 HE1 TRP 65 HE1 TRP 65 4.315 1.851 5.829
565 HE3 TRP 65 HE3 TRP 65 7.801 2.928 1.919
566 HZ2 TRP 65 HZ2 TRP 65 3.061 2.650 3.433
567 HZ3 TRP 65 HZ3 TRP 65 5.947 3.466 0.397
568 HH2 TRP 65 HH2 TRP 65 3.624 3.325 1.135
569 H SER 66 H SER 66 10.639 -0.335 6.325
570 HA SER 66 HA SER 66 12.754 -0.648 7.017
571 HB2 SER 66 HB2 SER 66 13.535 0.218 4.224
572 HB3 SER 66 HB3 SER 66 14.630 -0.489 5.416
573 HG SER 66 HG SER 66 13.051 -2.293 5.450
574 H LEU 67 H LEU 67 13.296 2.114 4.855
575 HA LEU 67 HA LEU 67 14.169 4.177 5.189
576 HB2 LEU 67 HB2 LEU 67 12.893 4.001 7.919
577 HB3 LEU 67 HB3 LEU 67 13.466 5.461 7.145
578 HG LEU 67 HG LEU 67 11.664 4.584 5.303
579 HD11 LEU 67 HD11 LEU 67 9.662 3.894 6.503
580 HD12 LEU 67 HD12 LEU 67 10.568 3.862 8.015
581 HD13 LEU 67 HD13 LEU 67 10.966 2.727 6.725
582 HD21 LEU 67 HD21 LEU 67 10.167 6.290 6.242
583 HD22 LEU 67 HD22 LEU 67 11.839 6.847 6.167
584 HD23 LEU 67 HD23 LEU 67 11.150 6.332 7.706
585 H GLU 68 H GLU 68 15.536 5.550 6.782
586 HA GLU 68 HA GLU 68 17.542 3.895 8.071
587 HB2 GLU 68 HB2 GLU 68 17.238 6.839 7.567
588 HB3 GLU 68 HB3 GLU 68 18.345 6.290 8.814
589 HG2 GLU 68 HG2 GLU 68 19.499 6.689 6.718
590 HG3 GLU 68 HG3 GLU 68 19.585 4.991 7.179
591 H HIS 69 H HIS 69 17.610 3.457 10.202
592 HA HIS 69 HA HIS 69 15.234 3.651 11.672
593 HB2 HIS 69 HB2 HIS 69 18.019 2.806 12.370
594 HB3 HIS 69 HB3 HIS 69 16.787 2.917 13.623
595 HD1 HIS 69 HD1 HIS 69 17.637 1.008 10.487
596 HD2 HIS 69 HD2 HIS 69 14.919 0.884 13.637
597 HE1 HIS 69 HE1 HIS 69 16.450 -1.204 10.282
598 HE2 HIS 69 HE2 HIS 69 14.765 -1.231 12.157
599 H HIS 70 H HIS 70 14.539 5.696 11.933
600 HA HIS 70 HA HIS 70 15.760 7.107 14.175
601 HB2 HIS 70 HB2 HIS 70 14.933 8.462 11.590
602 HB3 HIS 70 HB3 HIS 70 15.336 9.306 13.078
603 HD1 HIS 70 HD1 HIS 70 16.770 8.241 9.977
604 HD2 HIS 70 HD2 HIS 70 18.165 8.753 13.864
605 HE1 HIS 70 HE1 HIS 70 19.275 8.381 9.784
606 HE2 HIS 70 HE2 HIS 70 20.067 8.945 12.111
607 H HIS 71 H HIS 71 14.208 8.313 15.383
608 HA HIS 71 HA HIS 71 11.428 7.605 14.728
609 HB2 HIS 71 HB2 HIS 71 12.799 8.351 17.300
610 HB3 HIS 71 HB3 HIS 71 11.054 8.507 17.139
611 HD1 HIS 71 HD1 HIS 71 11.335 6.652 19.188
612 HD2 HIS 71 HD2 HIS 71 12.099 5.392 15.294
613 HE1 HIS 71 HE1 HIS 71 11.151 4.138 19.232
614 HE2 HIS 71 HE2 HIS 71 11.756 3.392 16.902
615 H HIS 72 H HIS 72 10.424 9.091 13.586
616 HA HIS 72 HA HIS 72 11.336 11.732 13.255
617 HB2 HIS 72 HB2 HIS 72 9.942 10.496 11.596
618 HB3 HIS 72 HB3 HIS 72 8.565 10.652 12.683
619 HD1 HIS 72 HD1 HIS 72 7.049 12.434 11.910
620 HD2 HIS 72 HD2 HIS 72 11.034 13.369 11.152
621 HE1 HIS 72 HE1 HIS 72 7.019 14.698 10.811
622 HE2 HIS 72 HE2 HIS 72 9.433 15.229 10.314
623 H HIS 73 H HIS 73 11.423 13.113 14.856
624 HA HIS 73 HA HIS 73 9.034 13.503 16.526
625 HB2 HIS 73 HB2 HIS 73 10.681 12.224 17.820
626 HB3 HIS 73 HB3 HIS 73 11.914 13.429 17.469
627 HD1 HIS 73 HD1 HIS 73 11.973 15.507 18.919
628 HD2 HIS 73 HD2 HIS 73 8.702 13.058 19.692
629 HE1 HIS 73 HE1 HIS 73 10.935 16.406 21.026
630 HE2 HIS 73 HE2 HIS 73 9.098 14.775 21.587
631 H HIS 74 H HIS 74 8.494 15.593 16.876
632 HA HIS 74 HA HIS 74 10.100 17.649 15.565
633 HB2 HIS 74 HB2 HIS 74 7.616 17.555 15.245
634 HB3 HIS 74 HB3 HIS 74 7.420 17.915 16.958
635 HD1 HIS 74 HD1 HIS 74 8.319 20.332 17.730
636 HD2 HIS 74 HD2 HIS 74 7.958 19.726 13.630
637 HE1 HIS 74 HE1 HIS 74 8.368 22.628 16.698
638 HE2 HIS 74 HE2 HIS 74 8.210 22.237 14.207
Start of MODEL 12
1 H1 MET 1 H1 MET 1 -24.126 -1.689 -11.984
2 H2 MET 1 H2 MET 1 -22.679 -1.934 -12.831
3 H3 MET 1 H3 MET 1 -23.785 -0.763 -13.363
4 HA MET 1 HA MET 1 -23.425 0.570 -11.440
5 HB2 MET 1 HB2 MET 1 -21.605 -1.692 -10.608
6 HB3 MET 1 HB3 MET 1 -21.578 -0.102 -9.858
7 HG2 MET 1 HG2 MET 1 -23.935 -0.394 -9.212
8 HG3 MET 1 HG3 MET 1 -23.906 -2.010 -9.912
9 HE1 MET 1 HE1 MET 1 -21.422 -3.908 -7.584
10 HE2 MET 1 HE2 MET 1 -21.070 -3.119 -9.123
11 HE3 MET 1 HE3 MET 1 -22.561 -4.041 -8.924
12 H ASN 2 H ASN 2 -22.713 1.984 -12.908
13 HA ASN 2 HA ASN 2 -19.899 1.755 -13.765
14 HB2 ASN 2 HB2 ASN 2 -22.350 2.689 -15.207
15 HB3 ASN 2 HB3 ASN 2 -20.797 3.410 -15.615
16 HD21 ASN 2 HD21 ASN 2 -22.699 1.581 -17.031
17 HD22 ASN 2 HD22 ASN 2 -21.695 0.285 -17.596
18 H GLN 3 H GLN 3 -20.641 2.848 -11.306
19 HA GLN 3 HA GLN 3 -20.943 5.675 -11.424
20 HB2 GLN 3 HB2 GLN 3 -20.487 5.586 -8.993
21 HB3 GLN 3 HB3 GLN 3 -21.727 4.446 -9.497
22 HG2 GLN 3 HG2 GLN 3 -20.230 2.614 -9.325
23 HG3 GLN 3 HG3 GLN 3 -18.848 3.687 -9.096
24 HE21 GLN 3 HE21 GLN 3 -18.586 4.735 -7.125
25 HE22 GLN 3 HE22 GLN 3 -19.385 4.195 -5.686
26 H ASN 4 H ASN 4 -19.316 7.096 -10.188
27 HA ASN 4 HA ASN 4 -16.783 6.868 -11.548
28 HB2 ASN 4 HB2 ASN 4 -18.292 8.969 -11.068
29 HB3 ASN 4 HB3 ASN 4 -17.434 8.983 -9.533
30 HD21 ASN 4 HD21 ASN 4 -17.401 10.947 -11.606
31 HD22 ASN 4 HD22 ASN 4 -15.765 11.087 -12.125
32 H LEU 5 H LEU 5 -14.749 6.924 -10.512
33 HA LEU 5 HA LEU 5 -13.142 6.630 -8.955
34 HB2 LEU 5 HB2 LEU 5 -15.367 7.049 -6.962
35 HB3 LEU 5 HB3 LEU 5 -13.661 6.970 -6.563
36 HG LEU 5 HG LEU 5 -14.978 9.072 -8.280
37 HD11 LEU 5 HD11 LEU 5 -14.434 10.575 -6.442
38 HD12 LEU 5 HD12 LEU 5 -13.791 9.219 -5.516
39 HD13 LEU 5 HD13 LEU 5 -15.509 9.281 -5.911
40 HD21 LEU 5 HD21 LEU 5 -12.784 10.176 -8.218
41 HD22 LEU 5 HD22 LEU 5 -12.719 8.620 -9.044
42 HD23 LEU 5 HD23 LEU 5 -12.112 8.767 -7.394
43 H GLN 6 H GLN 6 -15.962 5.079 -7.451
44 HA GLN 6 HA GLN 6 -16.338 3.014 -6.619
45 HB2 GLN 6 HB2 GLN 6 -13.974 2.230 -8.323
46 HB3 GLN 6 HB3 GLN 6 -14.925 1.092 -7.384
47 HG2 GLN 6 HG2 GLN 6 -16.919 1.697 -8.667
48 HG3 GLN 6 HG3 GLN 6 -15.959 2.828 -9.616
49 HE21 GLN 6 HE21 GLN 6 -16.599 -0.524 -8.937
50 HE22 GLN 6 HE22 GLN 6 -15.813 -1.166 -10.335
51 H GLY 7 H GLY 7 -15.690 1.681 -4.883
52 HA2 GLY 7 HA2 GLY 7 -13.722 3.017 -3.198
53 HA3 GLY 7 HA3 GLY 7 -14.870 1.786 -2.690
54 H GLU 8 H GLU 8 -12.045 2.165 -4.814
55 HA GLU 8 HA GLU 8 -11.467 -0.631 -4.707
56 HB2 GLU 8 HB2 GLU 8 -9.688 -0.211 -6.172
57 HB3 GLU 8 HB3 GLU 8 -10.912 0.966 -6.627
58 HG2 GLU 8 HG2 GLU 8 -9.717 2.676 -5.339
59 HG3 GLU 8 HG3 GLU 8 -8.491 1.486 -4.916
60 H TRP 9 H TRP 9 -10.727 2.038 -2.677
61 HA TRP 9 HA TRP 9 -8.243 1.167 -1.653
62 HB2 TRP 9 HB2 TRP 9 -9.046 3.421 -1.226
63 HB3 TRP 9 HB3 TRP 9 -10.429 2.799 -0.339
64 HD1 TRP 9 HD1 TRP 9 -9.931 3.848 1.975
65 HE1 TRP 9 HE1 TRP 9 -8.063 3.564 3.728
66 HE3 TRP 9 HE3 TRP 9 -6.591 1.136 -0.809
67 HZ2 TRP 9 HZ2 TRP 9 -5.533 2.354 3.906
68 HZ3 TRP 9 HZ3 TRP 9 -4.472 0.452 0.241
69 HH2 TRP 9 HH2 TRP 9 -3.957 1.052 2.550
70 H MET 10 H MET 10 -11.560 0.618 -0.484
71 HA MET 10 HA MET 10 -10.838 -1.108 1.628
72 HB2 MET 10 HB2 MET 10 -13.053 -0.038 1.414
73 HB3 MET 10 HB3 MET 10 -13.408 -1.060 0.037
74 HG2 MET 10 HG2 MET 10 -14.516 -2.054 1.832
75 HG3 MET 10 HG3 MET 10 -13.069 -3.032 1.599
76 HE1 MET 10 HE1 MET 10 -11.192 -3.351 3.402
77 HE2 MET 10 HE2 MET 10 -10.871 -2.170 4.672
78 HE3 MET 10 HE3 MET 10 -10.710 -1.709 2.978
79 H LYS 11 H LYS 11 -11.419 -1.621 -1.775
80 HA LYS 11 HA LYS 11 -11.540 -4.461 -1.627
81 HB2 LYS 11 HB2 LYS 11 -12.572 -3.088 -3.440
82 HB3 LYS 11 HB3 LYS 11 -10.963 -2.702 -4.024
83 HG2 LYS 11 HG2 LYS 11 -11.732 -5.562 -3.762
84 HG3 LYS 11 HG3 LYS 11 -12.397 -4.625 -5.098
85 HD2 LYS 11 HD2 LYS 11 -9.458 -4.921 -4.470
86 HD3 LYS 11 HD3 LYS 11 -10.329 -5.823 -5.712
87 HE2 LYS 11 HE2 LYS 11 -10.878 -3.709 -6.840
88 HE3 LYS 11 HE3 LYS 11 -9.978 -2.828 -5.608
89 HZ1 LYS 11 HZ1 LYS 11 -7.982 -4.075 -6.288
90 HZ2 LYS 11 HZ2 LYS 11 -8.608 -3.111 -7.532
91 HZ3 LYS 11 HZ3 LYS 11 -8.869 -4.789 -7.547
92 H ASN 12 H ASN 12 -9.016 -2.145 -2.608
93 HA ASN 12 HA ASN 12 -7.064 -4.110 -3.197
94 HB2 ASN 12 HB2 ASN 12 -6.893 -1.156 -2.630
95 HB3 ASN 12 HB3 ASN 12 -5.460 -2.130 -2.934
96 HD21 ASN 12 HD21 ASN 12 -6.618 0.085 -4.465
97 HD22 ASN 12 HD22 ASN 12 -6.878 -0.536 -6.057
98 H TYR 13 H TYR 13 -7.825 -2.290 -0.264
99 HA TYR 13 HA TYR 13 -5.476 -2.951 1.128
100 HB2 TYR 13 HB2 TYR 13 -7.098 -1.150 1.786
101 HB3 TYR 13 HB3 TYR 13 -8.175 -2.413 2.376
102 HD1 TYR 13 HD1 TYR 13 -4.535 -1.611 2.685
103 HD2 TYR 13 HD2 TYR 13 -8.142 -2.670 4.674
104 HE1 TYR 13 HE1 TYR 13 -3.343 -1.602 4.832
105 HE2 TYR 13 HE2 TYR 13 -6.958 -2.666 6.832
106 HH TYR 13 HH TYR 13 -3.728 -1.442 7.147
107 H GLU 14 H GLU 14 -8.638 -4.554 0.992
108 HA GLU 14 HA GLU 14 -8.052 -6.598 2.845
109 HB2 GLU 14 HB2 GLU 14 -9.997 -6.418 0.547
110 HB3 GLU 14 HB3 GLU 14 -9.888 -7.844 1.573
111 HG2 GLU 14 HG2 GLU 14 -10.436 -5.067 2.586
112 HG3 GLU 14 HG3 GLU 14 -11.682 -6.261 2.215
113 H GLU 15 H GLU 15 -7.666 -6.388 -0.655
114 HA GLU 15 HA GLU 15 -6.777 -9.042 -1.052
115 HB2 GLU 15 HB2 GLU 15 -7.660 -7.559 -2.843
116 HB3 GLU 15 HB3 GLU 15 -6.203 -6.585 -2.722
117 HG2 GLU 15 HG2 GLU 15 -5.961 -8.015 -4.597
118 HG3 GLU 15 HG3 GLU 15 -4.887 -8.613 -3.333
119 H LEU 16 H LEU 16 -5.142 -6.042 -0.235
120 HA LEU 16 HA LEU 16 -2.513 -7.123 -0.753
121 HB2 LEU 16 HB2 LEU 16 -3.101 -4.730 -1.139
122 HB3 LEU 16 HB3 LEU 16 -3.298 -4.537 0.590
123 HG LEU 16 HG LEU 16 -0.941 -4.979 0.957
124 HD11 LEU 16 HD11 LEU 16 -0.535 -6.586 -0.810
125 HD12 LEU 16 HD12 LEU 16 0.591 -5.239 -0.957
126 HD13 LEU 16 HD13 LEU 16 -0.800 -5.345 -2.033
127 HD21 LEU 16 HD21 LEU 16 -0.003 -3.021 -0.190
128 HD22 LEU 16 HD22 LEU 16 -1.592 -2.687 0.499
129 HD23 LEU 16 HD23 LEU 16 -1.422 -2.966 -1.236
130 H LYS 17 H LYS 17 -4.598 -6.448 1.978
131 HA LYS 17 HA LYS 17 -2.874 -6.920 4.096
132 HB2 LYS 17 HB2 LYS 17 -5.048 -6.083 4.500
133 HB3 LYS 17 HB3 LYS 17 -5.805 -7.400 3.624
134 HG2 LYS 17 HG2 LYS 17 -4.992 -8.934 5.406
135 HG3 LYS 17 HG3 LYS 17 -4.503 -7.502 6.319
136 HD2 LYS 17 HD2 LYS 17 -7.291 -7.973 5.286
137 HD3 LYS 17 HD3 LYS 17 -6.759 -8.407 6.901
138 HE2 LYS 17 HE2 LYS 17 -6.279 -6.098 7.414
139 HE3 LYS 17 HE3 LYS 17 -6.657 -5.624 5.758
140 HZ1 LYS 17 HZ1 LYS 17 -8.938 -6.309 6.100
141 HZ2 LYS 17 HZ2 LYS 17 -8.495 -5.169 7.275
142 HZ3 LYS 17 HZ3 LYS 17 -8.585 -6.812 7.684
143 H SER 18 H SER 18 -4.972 -9.175 2.336
144 HA SER 18 HA SER 18 -4.042 -11.493 3.662
145 HB2 SER 18 HB2 SER 18 -5.385 -11.285 0.957
146 HB3 SER 18 HB3 SER 18 -5.314 -12.713 1.993
147 HG SER 18 HG SER 18 -6.889 -10.433 2.198
148 H PHE 19 H PHE 19 -2.973 -9.733 0.838
149 HA PHE 19 HA PHE 19 -1.358 -11.822 -0.233
150 HB2 PHE 19 HB2 PHE 19 -2.194 -9.798 -1.506
151 HB3 PHE 19 HB3 PHE 19 -0.965 -8.858 -0.666
152 HD1 PHE 19 HD1 PHE 19 -1.593 -11.416 -3.193
153 HD2 PHE 19 HD2 PHE 19 1.392 -9.139 -1.186
154 HE1 PHE 19 HE1 PHE 19 0.052 -12.074 -4.898
155 HE2 PHE 19 HE2 PHE 19 3.041 -9.795 -2.890
156 HZ PHE 19 HZ PHE 19 2.373 -11.265 -4.748
157 H VAL 20 H VAL 20 -0.608 -8.922 1.710
158 HA VAL 20 HA VAL 20 2.153 -9.554 1.926
159 HB VAL 20 HB VAL 20 0.452 -7.676 3.571
160 HG11 VAL 20 HG11 VAL 20 2.549 -6.744 4.413
161 HG12 VAL 20 HG12 VAL 20 3.449 -8.003 3.565
162 HG13 VAL 20 HG13 VAL 20 2.366 -8.434 4.890
163 HG21 VAL 20 HG21 VAL 20 1.609 -5.948 2.290
164 HG22 VAL 20 HG22 VAL 20 0.719 -7.047 1.234
165 HG23 VAL 20 HG23 VAL 20 2.470 -7.198 1.391
166 H ARG 21 H ARG 21 -0.648 -10.260 3.978
167 HA ARG 21 HA ARG 21 0.842 -11.278 6.147
168 HB2 ARG 21 HB2 ARG 21 -1.490 -10.705 6.435
169 HB3 ARG 21 HB3 ARG 21 -1.975 -11.892 5.235
170 HG2 ARG 21 HG2 ARG 21 -0.463 -12.906 7.562
171 HG3 ARG 21 HG3 ARG 21 -2.106 -12.332 7.863
172 HD2 ARG 21 HD2 ARG 21 -3.026 -13.886 6.333
173 HD3 ARG 21 HD3 ARG 21 -1.444 -14.267 5.655
174 HE ARG 21 HE ARG 21 -0.925 -15.399 7.755
175 HH11 ARG 21 HH11 ARG 21 -4.300 -14.669 7.154
176 HH12 ARG 21 HH12 ARG 21 -4.887 -15.983 8.129
177 HH21 ARG 21 HH21 ARG 21 -1.685 -17.103 9.041
178 HH22 ARG 21 HH22 ARG 21 -3.398 -17.358 9.219
179 H LYS 22 H LYS 22 -0.079 -12.672 3.085
180 HA LYS 22 HA LYS 22 0.612 -15.354 4.002
181 HB2 LYS 22 HB2 LYS 22 -1.453 -14.987 2.687
182 HB3 LYS 22 HB3 LYS 22 -0.472 -14.460 1.328
183 HG2 LYS 22 HG2 LYS 22 0.521 -16.647 1.142
184 HG3 LYS 22 HG3 LYS 22 -0.339 -17.193 2.585
185 HD2 LYS 22 HD2 LYS 22 -2.473 -16.794 1.435
186 HD3 LYS 22 HD3 LYS 22 -1.590 -16.299 -0.009
187 HE2 LYS 22 HE2 LYS 22 -0.585 -18.523 -0.159
188 HE3 LYS 22 HE3 LYS 22 -1.454 -19.012 1.295
189 HZ1 LYS 22 HZ1 LYS 22 -2.708 -18.173 -1.263
190 HZ2 LYS 22 HZ2 LYS 22 -3.539 -18.655 0.134
191 HZ3 LYS 22 HZ3 LYS 22 -2.574 -19.769 -0.702
192 H TYR 23 H TYR 23 1.531 -13.162 1.316
193 HA TYR 23 HA TYR 23 3.829 -14.906 0.771
194 HB2 TYR 23 HB2 TYR 23 2.708 -12.596 -0.829
195 HB3 TYR 23 HB3 TYR 23 4.048 -13.624 -1.324
196 HD1 TYR 23 HD2 TYR 23 3.638 -15.995 -1.900
197 HD2 TYR 23 HD1 TYR 23 0.446 -13.312 -1.072
198 HE1 TYR 23 HE2 TYR 23 2.062 -17.555 -2.965
199 HE2 TYR 23 HE1 TYR 23 -1.140 -14.857 -2.139
200 HH TYR 23 HH TYR 23 -0.308 -18.080 -2.959
201 H ARG 24 H ARG 24 3.129 -12.175 2.503
202 HA ARG 24 HA ARG 24 4.238 -10.391 3.310
203 HB2 ARG 24 HB2 ARG 24 6.478 -12.368 3.023
204 HB3 ARG 24 HB3 ARG 24 6.776 -10.744 3.630
205 HG2 ARG 24 HG2 ARG 24 4.939 -12.809 4.824
206 HG3 ARG 24 HG3 ARG 24 6.474 -12.238 5.486
207 HD2 ARG 24 HD2 ARG 24 5.574 -10.050 5.860
208 HD3 ARG 24 HD3 ARG 24 4.110 -10.449 4.971
209 HE ARG 24 HE ARG 24 4.440 -12.197 7.181
210 HH11 ARG 24 HH11 ARG 24 3.527 -8.925 6.362
211 HH12 ARG 24 HH12 ARG 24 2.433 -8.747 7.693
212 HH21 ARG 24 HH21 ARG 24 2.999 -11.969 8.959
213 HH22 ARG 24 HH22 ARG 24 2.125 -10.479 9.171
214 H ARG 25 H ARG 25 3.598 -9.210 1.460
215 HA ARG 25 HA ARG 25 4.028 -7.478 0.052
216 HB2 ARG 25 HB2 ARG 25 6.969 -8.070 0.419
217 HB3 ARG 25 HB3 ARG 25 6.244 -6.560 -0.114
218 HG2 ARG 25 HG2 ARG 25 5.676 -5.922 1.990
219 HG3 ARG 25 HG3 ARG 25 5.432 -7.579 2.546
220 HD2 ARG 25 HD2 ARG 25 7.979 -7.817 2.325
221 HD3 ARG 25 HD3 ARG 25 8.005 -6.055 2.237
222 HE ARG 25 HE ARG 25 6.515 -6.589 4.460
223 HH11 ARG 25 HH11 ARG 25 9.760 -7.451 3.412
224 HH12 ARG 25 HH12 ARG 25 10.354 -7.657 5.034
225 HH21 ARG 25 HH21 ARG 25 7.296 -6.885 6.580
226 HH22 ARG 25 HH22 ARG 25 8.971 -7.291 6.836
227 H PHE 26 H PHE 26 5.065 -7.020 -2.146
228 HA PHE 26 HA PHE 26 5.627 -9.541 -3.532
229 HB2 PHE 26 HB2 PHE 26 4.952 -8.067 -5.627
230 HB3 PHE 26 HB3 PHE 26 3.757 -8.938 -4.681
231 HD1 PHE 26 HD2 PHE 26 5.285 -5.557 -5.112
232 HD2 PHE 26 HD1 PHE 26 1.965 -7.828 -3.715
233 HE1 PHE 26 HE2 PHE 26 3.997 -3.476 -4.781
234 HE2 PHE 26 HE1 PHE 26 0.679 -5.757 -3.394
235 HZ PHE 26 HZ PHE 26 1.689 -3.583 -3.932
236 HA PRO 27 HA PRO 27 9.522 -7.184 -3.672
237 HB2 PRO 27 HB2 PRO 27 11.129 -9.364 -3.540
238 HB3 PRO 27 HB3 PRO 27 10.425 -8.606 -2.108
239 HG2 PRO 27 HG2 PRO 27 9.554 -11.055 -3.582
240 HG3 PRO 27 HG3 PRO 27 9.612 -10.756 -1.835
241 HD2 PRO 27 HD2 PRO 27 7.322 -10.613 -3.318
242 HD3 PRO 27 HD3 PRO 27 7.584 -9.680 -1.831
243 H LYS 28 H LYS 28 9.365 -6.494 -5.768
244 HA LYS 28 HA LYS 28 9.828 -6.389 -7.987
245 HB2 LYS 28 HB2 LYS 28 11.668 -8.727 -7.415
246 HB3 LYS 28 HB3 LYS 28 11.775 -7.618 -8.778
247 HG2 LYS 28 HG2 LYS 28 12.341 -5.793 -7.325
248 HG3 LYS 28 HG3 LYS 28 12.059 -6.785 -5.894
249 HD2 LYS 28 HD2 LYS 28 13.904 -8.285 -6.675
250 HD3 LYS 28 HD3 LYS 28 14.244 -7.110 -7.951
251 HE2 LYS 28 HE2 LYS 28 14.637 -5.390 -6.260
252 HE3 LYS 28 HE3 LYS 28 14.284 -6.552 -4.986
253 HZ1 LYS 28 HZ1 LYS 28 16.570 -6.610 -6.876
254 HZ2 LYS 28 HZ2 LYS 28 16.189 -7.877 -5.816
255 HZ3 LYS 28 HZ3 LYS 28 16.628 -6.358 -5.204
256 H SER 29 H SER 29 7.532 -7.776 -7.304
257 HA SER 29 HA SER 29 7.481 -10.216 -8.886
258 HB2 SER 29 HB2 SER 29 5.353 -8.965 -7.141
259 HB3 SER 29 HB3 SER 29 5.266 -10.561 -7.889
260 HG SER 29 HG SER 29 7.567 -10.298 -6.513
261 H THR 30 H THR 30 5.339 -10.519 -10.144
262 HA THR 30 HA THR 30 4.748 -8.098 -11.706
263 HB THR 30 HB THR 30 4.269 -9.697 -13.614
264 HG1 THR 30 HG1 THR 30 4.179 -11.657 -12.516
265 HG21 THR 30 HG21 THR 30 6.629 -9.925 -14.256
266 HG22 THR 30 HG22 THR 30 7.112 -9.572 -12.597
267 HG23 THR 30 HG23 THR 30 6.304 -8.338 -13.561
268 H GLU 31 H GLU 31 3.122 -7.879 -10.025
269 HA GLU 31 HA GLU 31 0.937 -9.809 -10.085
270 HB2 GLU 31 HB2 GLU 31 0.116 -8.646 -8.081
271 HB3 GLU 31 HB3 GLU 31 1.773 -9.187 -7.885
272 HG2 GLU 31 HG2 GLU 31 0.900 -6.378 -8.513
273 HG3 GLU 31 HG3 GLU 31 1.403 -6.973 -6.932
274 H GLY 32 H GLY 32 -1.302 -8.569 -9.652
275 HA2 GLY 32 HA2 GLY 32 -1.712 -7.171 -12.173
276 HA3 GLY 32 HA3 GLY 32 -2.957 -7.864 -11.149
277 H ASN 33 H ASN 33 -4.195 -6.506 -10.078
278 HA ASN 33 HA ASN 33 -4.090 -3.755 -10.448
279 HB2 ASN 33 HB2 ASN 33 -5.452 -5.195 -8.159
280 HB3 ASN 33 HB3 ASN 33 -5.837 -3.586 -8.758
281 HD21 ASN 33 HD21 ASN 33 -6.983 -3.356 -10.673
282 HD22 ASN 33 HD22 ASN 33 -7.774 -4.696 -11.435
283 H LEU 34 H LEU 34 -2.950 -5.681 -7.716
284 HA LEU 34 HA LEU 34 -2.267 -3.575 -5.996
285 HB2 LEU 34 HB2 LEU 34 -1.094 -6.325 -6.297
286 HB3 LEU 34 HB3 LEU 34 -0.655 -5.219 -5.018
287 HG LEU 34 HG LEU 34 -3.433 -6.320 -5.476
288 HD11 LEU 34 HD11 LEU 34 -1.871 -8.048 -4.743
289 HD12 LEU 34 HD12 LEU 34 -3.022 -7.643 -3.469
290 HD13 LEU 34 HD13 LEU 34 -1.370 -7.028 -3.394
291 HD21 LEU 34 HD21 LEU 34 -3.910 -5.361 -3.267
292 HD22 LEU 34 HD22 LEU 34 -3.462 -4.119 -4.438
293 HD23 LEU 34 HD23 LEU 34 -2.293 -4.655 -3.232
294 H GLY 35 H GLY 35 -0.583 -5.022 -8.693
295 HA2 GLY 35 HA2 GLY 35 1.990 -4.012 -8.196
296 HA3 GLY 35 HA3 GLY 35 1.353 -4.454 -9.776
297 H GLY 36 H GLY 36 -0.675 -2.727 -10.126
298 HA2 GLY 36 HA2 GLY 36 0.744 -0.359 -10.879
299 HA3 GLY 36 HA3 GLY 36 -0.984 -0.620 -11.050
300 H TRP 37 H TRP 37 -1.397 -1.244 -8.278
301 HA TRP 37 HA TRP 37 -1.890 1.218 -7.081
302 HB2 TRP 37 HB2 TRP 37 -2.675 -1.182 -6.446
303 HB3 TRP 37 HB3 TRP 37 -1.203 -1.235 -5.485
304 HD1 TRP 37 HD1 TRP 37 -4.406 0.882 -5.808
305 HE1 TRP 37 HE1 TRP 37 -4.930 1.908 -3.516
306 HE3 TRP 37 HE3 TRP 37 -0.295 -0.745 -3.257
307 HZ2 TRP 37 HZ2 TRP 37 -3.753 1.997 -0.942
308 HZ3 TRP 37 HZ3 TRP 37 -0.070 -0.150 -0.883
309 HH2 TRP 37 HH2 TRP 37 -1.763 1.194 0.252
310 H CYS 38 H CYS 38 0.755 -1.075 -6.417
311 HA CYS 38 HA CYS 38 2.133 0.706 -4.682
312 HB2 CYS 38 HB2 CYS 38 2.356 -1.708 -4.460
313 HB3 CYS 38 HB3 CYS 38 3.070 -1.810 -6.065
314 HG CYS 38 HG CYS 38 4.458 -0.735 -3.169
315 H HIS 39 H HIS 39 2.621 -0.265 -8.067
316 HA HIS 39 HA HIS 39 5.081 0.980 -8.492
317 HB2 HIS 39 HB2 HIS 39 2.823 0.370 -10.392
318 HB3 HIS 39 HB3 HIS 39 4.367 1.006 -10.933
319 HD1 HIS 39 HD1 HIS 39 3.886 -1.516 -12.191
320 HD2 HIS 39 HD2 HIS 39 5.334 -1.396 -8.293
321 HE1 HIS 39 HE1 HIS 39 4.860 -3.793 -11.754
322 HE2 HIS 39 HE2 HIS 39 5.511 -3.767 -9.324
323 H THR 40 H THR 40 1.874 2.339 -8.421
324 HA THR 40 HA THR 40 2.733 4.882 -9.491
325 HB THR 40 HB THR 40 0.128 4.097 -8.170
326 HG1 THR 40 HG1 THR 40 0.091 3.021 -10.044
327 HG21 THR 40 HG21 THR 40 -0.773 6.131 -9.198
328 HG22 THR 40 HG22 THR 40 0.833 6.539 -9.800
329 HG23 THR 40 HG23 THR 40 0.523 6.507 -8.065
330 H GLN 41 H GLN 41 1.715 3.610 -6.330
331 HA GLN 41 HA GLN 41 1.871 6.185 -5.111
332 HB2 GLN 41 HB2 GLN 41 1.314 3.450 -4.029
333 HB3 GLN 41 HB3 GLN 41 1.319 4.914 -3.034
334 HG2 GLN 41 HG2 GLN 41 -0.440 5.871 -4.226
335 HG3 GLN 41 HG3 GLN 41 -0.275 4.721 -5.550
336 HE21 GLN 41 HE21 GLN 41 -2.172 3.895 -5.582
337 HE22 GLN 41 HE22 GLN 41 -2.881 2.993 -4.305
338 H ARG 42 H ARG 42 4.028 3.474 -5.375
339 HA ARG 42 HA ARG 42 5.836 4.052 -3.327
340 HB2 ARG 42 HB2 ARG 42 6.032 2.106 -4.897
341 HB3 ARG 42 HB3 ARG 42 6.590 3.222 -6.140
342 HG2 ARG 42 HG2 ARG 42 8.319 3.853 -4.205
343 HG3 ARG 42 HG3 ARG 42 7.992 2.175 -3.759
344 HD2 ARG 42 HD2 ARG 42 8.559 1.480 -6.053
345 HD3 ARG 42 HD3 ARG 42 8.935 3.159 -6.453
346 HE ARG 42 HE ARG 42 10.514 2.674 -4.307
347 HH11 ARG 42 HH11 ARG 42 10.073 1.063 -7.387
348 HH12 ARG 42 HH12 ARG 42 11.666 0.383 -7.392
349 HH21 ARG 42 HH21 ARG 42 12.607 1.786 -4.318
350 HH22 ARG 42 HH22 ARG 42 13.094 0.756 -5.640
351 H LYS 43 H LYS 43 5.503 5.464 -6.547
352 HA LYS 43 HA LYS 43 7.689 7.263 -6.206
353 HB2 LYS 43 HB2 LYS 43 7.122 6.470 -8.406
354 HB3 LYS 43 HB3 LYS 43 5.476 7.055 -8.246
355 HG2 LYS 43 HG2 LYS 43 7.501 9.132 -7.937
356 HG3 LYS 43 HG3 LYS 43 7.496 8.349 -9.520
357 HD2 LYS 43 HD2 LYS 43 5.081 9.539 -8.158
358 HD3 LYS 43 HD3 LYS 43 6.012 10.307 -9.438
359 HE2 LYS 43 HE2 LYS 43 4.555 7.679 -9.679
360 HE3 LYS 43 HE3 LYS 43 3.964 9.227 -10.279
361 HZ1 LYS 43 HZ1 LYS 43 4.987 7.907 -12.031
362 HZ2 LYS 43 HZ2 LYS 43 6.456 7.872 -11.185
363 HZ3 LYS 43 HZ3 LYS 43 5.847 9.341 -11.771
364 H MET 44 H MET 44 4.210 7.356 -5.741
365 HA MET 44 HA MET 44 3.875 10.103 -5.345
366 HB2 MET 44 HB2 MET 44 2.416 7.803 -4.039
367 HB3 MET 44 HB3 MET 44 1.907 9.484 -3.950
368 HG2 MET 44 HG2 MET 44 2.104 7.780 -6.413
369 HG3 MET 44 HG3 MET 44 0.635 8.368 -5.631
370 HE1 MET 44 HE1 MET 44 1.970 10.118 -9.215
371 HE2 MET 44 HE2 MET 44 0.920 8.807 -8.676
372 HE3 MET 44 HE3 MET 44 2.670 8.664 -8.495
373 H ARG 45 H ARG 45 4.725 7.560 -2.998
374 HA ARG 45 HA ARG 45 4.712 9.310 -0.786
375 HB2 ARG 45 HB2 ARG 45 5.723 7.558 0.486
376 HB3 ARG 45 HB3 ARG 45 4.536 6.850 -0.582
377 HG2 ARG 45 HG2 ARG 45 6.255 5.339 -0.704
378 HG3 ARG 45 HG3 ARG 45 6.579 6.358 -2.105
379 HD2 ARG 45 HD2 ARG 45 8.398 7.379 -1.106
380 HD3 ARG 45 HD3 ARG 45 7.837 7.017 0.524
381 HE ARG 45 HE ARG 45 8.761 4.893 0.369
382 HH11 ARG 45 HH11 ARG 45 9.093 6.592 -2.672
383 HH12 ARG 45 HH12 ARG 45 10.325 5.539 -3.284
384 HH21 ARG 45 HH21 ARG 45 10.368 3.475 -0.442
385 HH22 ARG 45 HH22 ARG 45 11.054 3.762 -2.016
386 H LYS 46 H LYS 46 7.193 8.464 -3.093
387 HA LYS 46 HA LYS 46 9.296 9.844 -1.723
388 HB2 LYS 46 HB2 LYS 46 9.658 8.037 -3.423
389 HB3 LYS 46 HB3 LYS 46 9.089 9.141 -4.662
390 HG2 LYS 46 HG2 LYS 46 11.403 9.911 -2.936
391 HG3 LYS 46 HG3 LYS 46 11.635 8.797 -4.281
392 HD2 LYS 46 HD2 LYS 46 10.388 11.535 -4.535
393 HD3 LYS 46 HD3 LYS 46 12.089 11.184 -4.845
394 HE2 LYS 46 HE2 LYS 46 9.795 9.846 -6.273
395 HE3 LYS 46 HE3 LYS 46 10.657 11.256 -6.888
396 HZ1 LYS 46 HZ1 LYS 46 11.461 9.115 -7.798
397 HZ2 LYS 46 HZ2 LYS 46 11.962 8.664 -6.243
398 HZ3 LYS 46 HZ3 LYS 46 12.671 10.003 -7.004
399 H GLN 47 H GLN 47 6.907 10.635 -4.147
400 HA GLN 47 HA GLN 47 7.939 13.201 -4.818
401 HB2 GLN 47 HB2 GLN 47 6.332 11.597 -6.107
402 HB3 GLN 47 HB3 GLN 47 5.073 12.372 -5.158
403 HG2 GLN 47 HG2 GLN 47 5.186 13.463 -7.245
404 HG3 GLN 47 HG3 GLN 47 5.853 14.556 -6.034
405 HE21 GLN 47 HE21 GLN 47 7.530 11.782 -7.334
406 HE22 GLN 47 HE22 GLN 47 8.744 12.665 -8.191
407 H GLY 48 H GLY 48 6.222 11.990 -2.157
408 HA2 GLY 48 HA2 GLY 48 5.555 13.113 -0.234
409 HA3 GLY 48 HA3 GLY 48 5.865 14.639 -1.055
410 H LYS 49 H LYS 49 3.911 12.265 -2.624
411 HA LYS 49 HA LYS 49 1.627 14.093 -2.458
412 HB2 LYS 49 HB2 LYS 49 2.619 12.140 -4.418
413 HB3 LYS 49 HB3 LYS 49 0.881 12.099 -4.184
414 HG2 LYS 49 HG2 LYS 49 1.344 13.533 -6.011
415 HG3 LYS 49 HG3 LYS 49 0.811 14.534 -4.668
416 HD2 LYS 49 HD2 LYS 49 3.723 14.088 -5.285
417 HD3 LYS 49 HD3 LYS 49 2.786 15.374 -6.046
418 HE2 LYS 49 HE2 LYS 49 2.223 16.211 -3.766
419 HE3 LYS 49 HE3 LYS 49 3.305 14.997 -3.101
420 HZ1 LYS 49 HZ1 LYS 49 4.370 17.172 -3.300
421 HZ2 LYS 49 HZ2 LYS 49 4.132 17.151 -4.979
422 HZ3 LYS 49 HZ3 LYS 49 5.148 16.007 -4.250
423 H LEU 50 H LEU 50 2.767 11.247 -1.146
424 HA LEU 50 HA LEU 50 0.130 10.144 -0.545
425 HB2 LEU 50 HB2 LEU 50 2.853 9.139 -0.673
426 HB3 LEU 50 HB3 LEU 50 2.062 8.668 0.815
427 HG LEU 50 HG LEU 50 1.031 8.098 -1.969
428 HD11 LEU 50 HD11 LEU 50 3.028 6.807 -1.448
429 HD12 LEU 50 HD12 LEU 50 1.601 5.772 -1.452
430 HD13 LEU 50 HD13 LEU 50 2.312 6.288 0.077
431 HD21 LEU 50 HD21 LEU 50 -0.594 6.672 -0.839
432 HD22 LEU 50 HD22 LEU 50 -0.764 8.353 -0.337
433 HD23 LEU 50 HD23 LEU 50 0.031 7.192 0.726
434 HA PRO 51 HA PRO 51 0.426 11.789 3.642
435 HB2 PRO 51 HB2 PRO 51 -1.836 10.753 4.618
436 HB3 PRO 51 HB3 PRO 51 -1.873 12.070 3.438
437 HG2 PRO 51 HG2 PRO 51 -2.317 9.142 3.025
438 HG3 PRO 51 HG3 PRO 51 -3.184 10.521 2.323
439 HD2 PRO 51 HD2 PRO 51 -1.191 9.110 1.031
440 HD3 PRO 51 HD3 PRO 51 -1.654 10.779 0.653
441 H ASN 52 H ASN 52 0.654 10.921 5.783
442 HA ASN 52 HA ASN 52 2.088 8.462 5.853
443 HB2 ASN 52 HB2 ASN 52 2.648 10.376 7.293
444 HB3 ASN 52 HB3 ASN 52 1.086 10.237 8.090
445 HD21 ASN 52 HD21 ASN 52 1.755 9.791 10.088
446 HD22 ASN 52 HD22 ASN 52 2.626 8.372 10.515
447 H ASP 53 H ASP 53 -1.179 9.419 6.334
448 HA ASP 53 HA ASP 53 -2.132 7.522 8.121
449 HB2 ASP 53 HB2 ASP 53 -3.610 8.661 5.737
450 HB3 ASP 53 HB3 ASP 53 -4.339 7.954 7.175
451 H ARG 54 H ARG 54 -2.088 7.325 4.561
452 HA ARG 54 HA ARG 54 -3.010 4.645 4.462
453 HB2 ARG 54 HB2 ARG 54 -3.049 6.335 2.573
454 HB3 ARG 54 HB3 ARG 54 -1.328 6.030 2.373
455 HG2 ARG 54 HG2 ARG 54 -1.835 3.645 1.989
456 HG3 ARG 54 HG3 ARG 54 -3.555 4.032 2.073
457 HD2 ARG 54 HD2 ARG 54 -1.637 5.301 0.129
458 HD3 ARG 54 HD3 ARG 54 -2.609 3.883 -0.237
459 HE ARG 54 HE ARG 54 -4.042 6.256 0.675
460 HH11 ARG 54 HH11 ARG 54 -3.014 4.268 -2.025
461 HH12 ARG 54 HH12 ARG 54 -4.178 4.950 -3.127
462 HH21 ARG 54 HH21 ARG 54 -5.551 7.169 -0.805
463 HH22 ARG 54 HH22 ARG 54 -5.603 6.576 -2.437
464 H ARG 55 H ARG 55 0.195 6.075 4.115
465 HA ARG 55 HA ARG 55 1.767 3.844 3.816
466 HB2 ARG 55 HB2 ARG 55 2.594 6.136 3.668
467 HB3 ARG 55 HB3 ARG 55 2.343 6.366 5.388
468 HG2 ARG 55 HG2 ARG 55 4.222 4.255 4.396
469 HG3 ARG 55 HG3 ARG 55 4.725 5.943 4.502
470 HD2 ARG 55 HD2 ARG 55 4.005 5.919 6.893
471 HD3 ARG 55 HD3 ARG 55 3.743 4.184 6.740
472 HE ARG 55 HE ARG 55 6.386 5.456 6.344
473 HH11 ARG 55 HH11 ARG 55 4.375 2.895 7.596
474 HH12 ARG 55 HH12 ARG 55 5.688 2.045 8.354
475 HH21 ARG 55 HH21 ARG 55 8.128 4.358 7.346
476 HH22 ARG 55 HH22 ARG 55 7.818 2.884 8.211
477 H LEU 56 H LEU 56 0.358 5.114 6.791
478 HA LEU 56 HA LEU 56 1.767 3.438 8.588
479 HB2 LEU 56 HB2 LEU 56 0.509 5.574 9.102
480 HB3 LEU 56 HB3 LEU 56 -0.969 4.636 9.004
481 HG LEU 56 HG LEU 56 -0.215 3.241 10.875
482 HD11 LEU 56 HD11 LEU 56 2.152 5.107 10.962
483 HD12 LEU 56 HD12 LEU 56 2.190 3.404 10.497
484 HD13 LEU 56 HD13 LEU 56 1.769 3.860 12.150
485 HD21 LEU 56 HD21 LEU 56 -1.559 5.225 11.312
486 HD22 LEU 56 HD22 LEU 56 -0.097 6.201 11.433
487 HD23 LEU 56 HD23 LEU 56 -0.416 4.937 12.622
488 H LEU 57 H LEU 57 -1.407 3.143 7.014
489 HA LEU 57 HA LEU 57 -2.183 0.745 8.263
490 HB2 LEU 57 HB2 LEU 57 -2.998 2.197 5.804
491 HB3 LEU 57 HB3 LEU 57 -3.462 0.514 5.929
492 HG LEU 57 HG LEU 57 -4.619 0.997 8.053
493 HD11 LEU 57 HD11 LEU 57 -5.017 3.314 8.724
494 HD12 LEU 57 HD12 LEU 57 -3.926 3.869 7.454
495 HD13 LEU 57 HD13 LEU 57 -3.303 2.906 8.793
496 HD21 LEU 57 HD21 LEU 57 -5.866 1.021 5.975
497 HD22 LEU 57 HD22 LEU 57 -5.451 2.718 5.723
498 HD23 LEU 57 HD23 LEU 57 -6.485 2.254 7.077
499 H LEU 58 H LEU 58 -0.209 1.388 5.437
500 HA LEU 58 HA LEU 58 0.060 -1.288 4.557
501 HB2 LEU 58 HB2 LEU 58 1.595 1.239 4.156
502 HB3 LEU 58 HB3 LEU 58 2.365 -0.272 3.721
503 HG LEU 58 HG LEU 58 1.352 0.748 1.774
504 HD11 LEU 58 HD11 LEU 58 -0.161 -1.686 2.693
505 HD12 LEU 58 HD12 LEU 58 1.412 -1.672 1.892
506 HD13 LEU 58 HD13 LEU 58 -0.022 -1.119 1.029
507 HD21 LEU 58 HD21 LEU 58 -0.394 2.046 2.851
508 HD22 LEU 58 HD22 LEU 58 -1.247 0.567 3.289
509 HD23 LEU 58 HD23 LEU 58 -1.074 1.014 1.592
510 H ASP 59 H ASP 59 1.804 0.655 6.905
511 HA ASP 59 HA ASP 59 3.924 -1.153 7.378
512 HB2 ASP 59 HB2 ASP 59 3.812 1.289 8.064
513 HB3 ASP 59 HB3 ASP 59 2.769 0.784 9.389
514 H LYS 60 H LYS 60 0.712 -0.790 8.751
515 HA LYS 60 HA LYS 60 1.023 -2.523 10.933
516 HB2 LYS 60 HB2 LYS 60 -1.177 -1.177 9.552
517 HB3 LYS 60 HB3 LYS 60 -1.636 -2.697 10.301
518 HG2 LYS 60 HG2 LYS 60 -2.029 -0.887 11.831
519 HG3 LYS 60 HG3 LYS 60 -0.714 -1.893 12.439
520 HD2 LYS 60 HD2 LYS 60 0.899 -0.269 11.480
521 HD3 LYS 60 HD3 LYS 60 -0.460 0.764 11.034
522 HE2 LYS 60 HE2 LYS 60 0.324 -0.084 13.820
523 HE3 LYS 60 HE3 LYS 60 0.511 1.523 13.117
524 HZ1 LYS 60 HZ1 LYS 60 -1.428 1.419 14.544
525 HZ2 LYS 60 HZ2 LYS 60 -2.073 0.139 13.637
526 HZ3 LYS 60 HZ3 LYS 60 -1.906 1.675 12.936
527 H ILE 61 H ILE 61 -0.066 -3.148 7.603
528 HA ILE 61 HA ILE 61 -0.623 -5.903 8.183
529 HB ILE 61 HB ILE 61 -0.838 -6.196 5.726
530 HG12 ILE 61 HG12 ILE 61 -0.315 -3.217 5.613
531 HG13 ILE 61 HG13 ILE 61 0.815 -4.455 5.072
532 HG21 ILE 61 HG21 ILE 61 -2.751 -5.605 7.080
533 HG22 ILE 61 HG22 ILE 61 -2.848 -4.815 5.506
534 HG23 ILE 61 HG23 ILE 61 -2.360 -3.892 6.928
535 HD11 ILE 61 HD11 ILE 61 -1.930 -3.978 3.930
536 HD12 ILE 61 HD12 ILE 61 -0.763 -5.178 3.371
537 HD13 ILE 61 HD13 ILE 61 -0.405 -3.459 3.214
538 H GLY 62 H GLY 62 2.201 -4.123 7.481
539 HA2 GLY 62 HA2 GLY 62 4.307 -5.190 7.997
540 HA3 GLY 62 HA3 GLY 62 3.670 -6.673 7.300
541 H PHE 63 H PHE 63 3.344 -3.518 5.791
542 HA PHE 63 HA PHE 63 4.909 -4.496 3.531
543 HB2 PHE 63 HB2 PHE 63 2.635 -3.416 3.236
544 HB3 PHE 63 HB3 PHE 63 3.373 -1.900 3.733
545 HD1 PHE 63 HD2 PHE 63 3.528 -4.573 1.174
546 HD2 PHE 63 HD1 PHE 63 4.527 -0.561 2.193
547 HE1 PHE 63 HE2 PHE 63 4.221 -4.165 -1.148
548 HE2 PHE 63 HE1 PHE 63 5.221 -0.143 -0.130
549 HZ PHE 63 HZ PHE 63 5.071 -1.943 -1.803
550 H VAL 64 H VAL 64 6.843 -3.738 2.965
551 HA VAL 64 HA VAL 64 8.037 -1.687 4.669
552 HB VAL 64 HB VAL 64 9.125 -3.912 4.665
553 HG11 VAL 64 HG11 VAL 64 10.345 -4.690 2.709
554 HG12 VAL 64 HG12 VAL 64 9.718 -3.337 1.768
555 HG13 VAL 64 HG13 VAL 64 8.618 -4.575 2.375
556 HG21 VAL 64 HG21 VAL 64 11.408 -3.127 4.296
557 HG22 VAL 64 HG22 VAL 64 10.436 -1.928 5.151
558 HG23 VAL 64 HG23 VAL 64 10.781 -1.723 3.433
559 H TRP 65 H TRP 65 8.988 0.120 3.765
560 HA TRP 65 HA TRP 65 8.258 0.603 0.962
561 HB2 TRP 65 HB2 TRP 65 8.982 2.536 3.174
562 HB3 TRP 65 HB3 TRP 65 8.544 2.999 1.532
563 HD1 TRP 65 HD1 TRP 65 7.009 1.682 4.783
564 HE1 TRP 65 HE1 TRP 65 4.452 1.914 4.641
565 HE3 TRP 65 HE3 TRP 65 6.578 3.075 -0.123
566 HZ2 TRP 65 HZ2 TRP 65 2.516 2.604 2.724
567 HZ3 TRP 65 HZ3 TRP 65 4.330 3.502 -1.028
568 HH2 TRP 65 HH2 TRP 65 2.341 3.271 0.368
569 H SER 66 H SER 66 10.843 -0.446 2.601
570 HA SER 66 HA SER 66 12.995 -0.836 2.011
571 HB2 SER 66 HB2 SER 66 12.190 -0.984 -0.312
572 HB3 SER 66 HB3 SER 66 12.358 0.762 -0.485
573 HG SER 66 HG SER 66 14.170 -0.279 -1.338
574 H LEU 67 H LEU 67 15.052 0.152 2.123
575 HA LEU 67 HA LEU 67 15.039 2.787 3.309
576 HB2 LEU 67 HB2 LEU 67 16.582 0.600 3.702
577 HB3 LEU 67 HB3 LEU 67 17.598 1.475 2.573
578 HG LEU 67 HG LEU 67 18.188 1.873 4.949
579 HD11 LEU 67 HD11 LEU 67 18.331 4.304 4.820
580 HD12 LEU 67 HD12 LEU 67 17.171 4.306 3.493
581 HD13 LEU 67 HD13 LEU 67 18.751 3.551 3.282
582 HD21 LEU 67 HD21 LEU 67 16.714 3.297 6.308
583 HD22 LEU 67 HD22 LEU 67 15.998 1.727 5.949
584 HD23 LEU 67 HD23 LEU 67 15.467 3.159 5.068
585 H GLU 68 H GLU 68 15.708 1.292 0.287
586 HA GLU 68 HA GLU 68 15.851 2.097 -1.816
587 HB2 GLU 68 HB2 GLU 68 15.305 4.765 -0.514
588 HB3 GLU 68 HB3 GLU 68 15.351 4.494 -2.252
589 HG2 GLU 68 HG2 GLU 68 13.495 3.018 -0.413
590 HG3 GLU 68 HG3 GLU 68 13.070 4.539 -1.199
591 H HIS 69 H HIS 69 17.425 4.707 0.082
592 HA HIS 69 HA HIS 69 19.734 4.355 -1.715
593 HB2 HIS 69 HB2 HIS 69 18.615 6.998 -0.764
594 HB3 HIS 69 HB3 HIS 69 20.017 6.779 -1.810
595 HD1 HIS 69 HD1 HIS 69 16.475 7.395 -1.931
596 HD2 HIS 69 HD2 HIS 69 19.234 5.437 -4.354
597 HE1 HIS 69 HE1 HIS 69 15.363 7.155 -4.175
598 HE2 HIS 69 HE2 HIS 69 17.113 6.123 -5.665
599 H HIS 70 H HIS 70 20.609 3.091 -0.025
600 HA HIS 70 HA HIS 70 22.657 4.357 1.321
601 HB2 HIS 70 HB2 HIS 70 20.743 5.154 2.822
602 HB3 HIS 70 HB3 HIS 70 20.566 3.475 3.324
603 HD1 HIS 70 HD1 HIS 70 21.742 6.302 4.771
604 HD2 HIS 70 HD2 HIS 70 23.633 2.679 3.967
605 HE1 HIS 70 HE1 HIS 70 23.692 6.183 6.359
606 HE2 HIS 70 HE2 HIS 70 24.880 4.033 5.791
607 H HIS 71 H HIS 71 23.685 2.620 0.329
608 HA HIS 71 HA HIS 71 22.939 -0.057 0.596
609 HB2 HIS 71 HB2 HIS 71 25.185 -0.641 -0.159
610 HB3 HIS 71 HB3 HIS 71 24.535 0.686 -1.106
611 HD1 HIS 71 HD1 HIS 71 27.443 -0.320 0.844
612 HD2 HIS 71 HD2 HIS 71 25.719 3.258 -0.396
613 HE1 HIS 71 HE1 HIS 71 29.236 1.422 1.089
614 HE2 HIS 71 HE2 HIS 71 28.235 3.522 0.124
615 H HIS 72 H HIS 72 22.958 -1.406 2.202
616 HA HIS 72 HA HIS 72 24.143 -0.680 4.734
617 HB2 HIS 72 HB2 HIS 72 22.645 -3.169 3.870
618 HB3 HIS 72 HB3 HIS 72 23.134 -2.815 5.522
619 HD1 HIS 72 HD1 HIS 72 20.901 -1.313 2.813
620 HD2 HIS 72 HD2 HIS 72 21.270 -1.460 6.954
621 HE1 HIS 72 HE1 HIS 72 18.865 -0.157 3.719
622 HE2 HIS 72 HE2 HIS 72 18.994 -0.482 6.210
623 H HIS 73 H HIS 73 25.879 -1.731 5.733
624 HA HIS 73 HA HIS 73 27.361 -3.582 3.988
625 HB2 HIS 73 HB2 HIS 73 29.463 -2.657 4.771
626 HB3 HIS 73 HB3 HIS 73 28.473 -1.378 4.088
627 HD1 HIS 73 HD1 HIS 73 28.029 0.617 5.537
628 HD2 HIS 73 HD2 HIS 73 29.603 -2.592 7.670
629 HE1 HIS 73 HE1 HIS 73 28.547 1.511 7.833
630 HE2 HIS 73 HE2 HIS 73 29.350 -0.484 9.149
631 H HIS 74 H HIS 74 28.540 -5.239 4.969
632 HA HIS 74 HA HIS 74 27.532 -5.948 7.636
633 HB2 HIS 74 HB2 HIS 74 28.822 -7.696 5.526
634 HB3 HIS 74 HB3 HIS 74 28.258 -8.254 7.097
635 HD1 HIS 74 HD1 HIS 74 27.183 -7.698 3.670
636 HD2 HIS 74 HD2 HIS 74 25.349 -8.054 7.386
637 HE1 HIS 74 HE1 HIS 74 24.758 -8.155 3.187
638 HE2 HIS 74 HE2 HIS 74 23.728 -8.590 5.440
Start of MODEL 13
1 H1 MET 1 H1 MET 1 -5.660 7.376 -12.939
2 H2 MET 1 H2 MET 1 -4.661 7.868 -14.214
3 H3 MET 1 H3 MET 1 -5.174 8.997 -13.057
4 HA MET 1 HA MET 1 -3.422 6.666 -12.548
5 HB2 MET 1 HB2 MET 1 -2.791 9.610 -12.774
6 HB3 MET 1 HB3 MET 1 -1.694 8.437 -12.064
7 HG2 MET 1 HG2 MET 1 -1.686 7.206 -14.208
8 HG3 MET 1 HG3 MET 1 -2.685 8.480 -14.903
9 HE1 MET 1 HE1 MET 1 0.132 7.501 -16.106
10 HE2 MET 1 HE2 MET 1 0.852 9.051 -16.539
11 HE3 MET 1 HE3 MET 1 -0.859 8.759 -16.852
12 H ASN 2 H ASN 2 -3.868 9.882 -11.073
13 HA ASN 2 HA ASN 2 -3.843 8.597 -8.459
14 HB2 ASN 2 HB2 ASN 2 -3.677 11.483 -9.322
15 HB3 ASN 2 HB3 ASN 2 -3.802 11.001 -7.634
16 HD21 ASN 2 HD21 ASN 2 -2.071 9.998 -6.641
17 HD22 ASN 2 HD22 ASN 2 -0.487 9.985 -7.331
18 H GLN 3 H GLN 3 -6.100 10.089 -10.615
19 HA GLN 3 HA GLN 3 -8.076 10.279 -8.456
20 HB2 GLN 3 HB2 GLN 3 -7.740 12.310 -9.817
21 HB3 GLN 3 HB3 GLN 3 -8.195 11.411 -11.259
22 HG2 GLN 3 HG2 GLN 3 -10.428 11.093 -10.413
23 HG3 GLN 3 HG3 GLN 3 -9.991 11.853 -8.884
24 HE21 GLN 3 HE21 GLN 3 -9.703 14.072 -8.797
25 HE22 GLN 3 HE22 GLN 3 -10.296 15.126 -10.042
26 H ASN 4 H ASN 4 -9.092 8.440 -8.177
27 HA ASN 4 HA ASN 4 -10.287 7.125 -10.538
28 HB2 ASN 4 HB2 ASN 4 -9.437 5.901 -7.900
29 HB3 ASN 4 HB3 ASN 4 -10.337 5.047 -9.148
30 HD21 ASN 4 HD21 ASN 4 -7.669 4.616 -7.952
31 HD22 ASN 4 HD22 ASN 4 -6.581 4.552 -9.289
32 H LEU 5 H LEU 5 -10.659 7.577 -7.046
33 HA LEU 5 HA LEU 5 -12.432 8.079 -5.720
34 HB2 LEU 5 HB2 LEU 5 -13.711 9.001 -8.292
35 HB3 LEU 5 HB3 LEU 5 -14.290 9.366 -6.678
36 HG LEU 5 HG LEU 5 -11.643 10.269 -7.821
37 HD11 LEU 5 HD11 LEU 5 -13.537 11.360 -8.897
38 HD12 LEU 5 HD12 LEU 5 -12.660 12.486 -7.860
39 HD13 LEU 5 HD13 LEU 5 -14.191 11.797 -7.317
40 HD21 LEU 5 HD21 LEU 5 -11.523 11.676 -5.822
41 HD22 LEU 5 HD22 LEU 5 -11.562 9.964 -5.403
42 HD23 LEU 5 HD23 LEU 5 -13.014 10.948 -5.221
43 H GLN 6 H GLN 6 -12.206 5.491 -7.163
44 HA GLN 6 HA GLN 6 -15.020 4.648 -7.180
45 HB2 GLN 6 HB2 GLN 6 -12.555 3.295 -8.295
46 HB3 GLN 6 HB3 GLN 6 -14.171 2.604 -8.329
47 HG2 GLN 6 HG2 GLN 6 -13.291 5.137 -9.699
48 HG3 GLN 6 HG3 GLN 6 -13.585 3.580 -10.470
49 HE21 GLN 6 HE21 GLN 6 -15.022 6.398 -9.063
50 HE22 GLN 6 HE22 GLN 6 -16.643 6.068 -9.560
51 H GLY 7 H GLY 7 -15.497 2.519 -6.217
52 HA2 GLY 7 HA2 GLY 7 -14.376 2.373 -3.568
53 HA3 GLY 7 HA3 GLY 7 -15.678 1.384 -4.210
54 H GLU 8 H GLU 8 -12.261 1.860 -5.047
55 HA GLU 8 HA GLU 8 -11.946 -1.033 -5.307
56 HB2 GLU 8 HB2 GLU 8 -11.120 0.400 -7.129
57 HB3 GLU 8 HB3 GLU 8 -10.074 1.243 -5.998
58 HG2 GLU 8 HG2 GLU 8 -8.802 -0.326 -7.315
59 HG3 GLU 8 HG3 GLU 8 -8.817 -0.822 -5.623
60 H TRP 9 H TRP 9 -10.971 1.666 -3.331
61 HA TRP 9 HA TRP 9 -8.656 0.568 -2.170
62 HB2 TRP 9 HB2 TRP 9 -9.050 2.926 -2.042
63 HB3 TRP 9 HB3 TRP 9 -10.573 2.689 -1.202
64 HD1 TRP 9 HD1 TRP 9 -10.269 3.593 1.151
65 HE1 TRP 9 HE1 TRP 9 -8.513 3.363 3.022
66 HE3 TRP 9 HE3 TRP 9 -6.772 0.829 -1.365
67 HZ2 TRP 9 HZ2 TRP 9 -5.986 2.164 3.374
68 HZ3 TRP 9 HZ3 TRP 9 -4.715 0.180 -0.180
69 HH2 TRP 9 HH2 TRP 9 -4.333 0.834 2.139
70 H MET 10 H MET 10 -12.024 0.560 -1.071
71 HA MET 10 HA MET 10 -11.670 -0.610 1.423
72 HB2 MET 10 HB2 MET 10 -13.952 -0.951 -0.518
73 HB3 MET 10 HB3 MET 10 -13.999 -1.479 1.156
74 HG2 MET 10 HG2 MET 10 -13.539 1.367 0.306
75 HG3 MET 10 HG3 MET 10 -15.123 0.697 0.685
76 HE1 MET 10 HE1 MET 10 -11.490 0.471 2.363
77 HE2 MET 10 HE2 MET 10 -11.745 1.592 3.700
78 HE3 MET 10 HE3 MET 10 -11.812 2.175 2.038
79 H LYS 11 H LYS 11 -11.901 -2.145 -1.731
80 HA LYS 11 HA LYS 11 -11.635 -4.820 -0.709
81 HB2 LYS 11 HB2 LYS 11 -12.790 -4.431 -2.812
82 HB3 LYS 11 HB3 LYS 11 -11.364 -3.655 -3.487
83 HG2 LYS 11 HG2 LYS 11 -10.383 -6.095 -2.773
84 HG3 LYS 11 HG3 LYS 11 -12.034 -6.485 -3.267
85 HD2 LYS 11 HD2 LYS 11 -9.933 -5.043 -4.879
86 HD3 LYS 11 HD3 LYS 11 -10.607 -6.643 -5.191
87 HE2 LYS 11 HE2 LYS 11 -12.778 -5.668 -5.642
88 HE3 LYS 11 HE3 LYS 11 -12.171 -4.065 -5.241
89 HZ1 LYS 11 HZ1 LYS 11 -10.678 -4.168 -7.111
90 HZ2 LYS 11 HZ2 LYS 11 -12.268 -4.456 -7.640
91 HZ3 LYS 11 HZ3 LYS 11 -11.185 -5.746 -7.476
92 H ASN 12 H ASN 12 -9.587 -2.498 -2.384
93 HA ASN 12 HA ASN 12 -7.322 -3.999 -2.848
94 HB2 ASN 12 HB2 ASN 12 -7.873 -1.662 -3.656
95 HB3 ASN 12 HB3 ASN 12 -7.323 -1.076 -2.090
96 HD21 ASN 12 HD21 ASN 12 -6.418 -2.375 -5.139
97 HD22 ASN 12 HD22 ASN 12 -4.716 -2.149 -4.964
98 H TYR 13 H TYR 13 -8.073 -1.994 -0.025
99 HA TYR 13 HA TYR 13 -5.720 -2.316 1.405
100 HB2 TYR 13 HB2 TYR 13 -7.376 -0.722 2.100
101 HB3 TYR 13 HB3 TYR 13 -8.574 -1.987 2.341
102 HD1 TYR 13 HD2 TYR 13 -5.091 -1.254 3.533
103 HD2 TYR 13 HD1 TYR 13 -9.046 -2.469 4.539
104 HE1 TYR 13 HE2 TYR 13 -4.434 -1.423 5.897
105 HE2 TYR 13 HE1 TYR 13 -8.398 -2.641 6.904
106 HH TYR 13 HH TYR 13 -6.473 -2.894 8.272
107 H GLU 14 H GLU 14 -8.676 -4.279 1.588
108 HA GLU 14 HA GLU 14 -7.666 -6.125 3.472
109 HB2 GLU 14 HB2 GLU 14 -9.984 -6.144 1.568
110 HB3 GLU 14 HB3 GLU 14 -9.609 -7.552 2.551
111 HG2 GLU 14 HG2 GLU 14 -10.166 -4.797 3.619
112 HG3 GLU 14 HG3 GLU 14 -11.332 -6.119 3.550
113 H GLU 15 H GLU 15 -7.670 -6.050 -0.035
114 HA GLU 15 HA GLU 15 -6.881 -8.766 -0.367
115 HB2 GLU 15 HB2 GLU 15 -7.903 -6.877 -2.024
116 HB3 GLU 15 HB3 GLU 15 -6.212 -6.847 -2.507
117 HG2 GLU 15 HG2 GLU 15 -7.476 -8.380 -3.889
118 HG3 GLU 15 HG3 GLU 15 -6.282 -9.249 -2.925
119 H LEU 16 H LEU 16 -5.168 -5.707 -0.083
120 HA LEU 16 HA LEU 16 -2.610 -6.849 -0.783
121 HB2 LEU 16 HB2 LEU 16 -3.432 -4.358 -0.958
122 HB3 LEU 16 HB3 LEU 16 -2.945 -4.273 0.721
123 HG LEU 16 HG LEU 16 -1.067 -5.098 -1.493
124 HD11 LEU 16 HD11 LEU 16 -0.170 -2.825 -1.366
125 HD12 LEU 16 HD12 LEU 16 -1.467 -2.382 -0.257
126 HD13 LEU 16 HD13 LEU 16 -1.845 -2.840 -1.918
127 HD21 LEU 16 HD21 LEU 16 -0.373 -5.814 0.728
128 HD22 LEU 16 HD22 LEU 16 -0.575 -4.170 1.335
129 HD23 LEU 16 HD23 LEU 16 0.672 -4.519 0.138
130 H LYS 17 H LYS 17 -4.426 -6.002 2.062
131 HA LYS 17 HA LYS 17 -2.624 -6.543 4.091
132 HB2 LYS 17 HB2 LYS 17 -4.847 -5.591 4.418
133 HB3 LYS 17 HB3 LYS 17 -5.590 -7.104 3.936
134 HG2 LYS 17 HG2 LYS 17 -4.637 -8.199 5.877
135 HG3 LYS 17 HG3 LYS 17 -3.881 -6.683 6.367
136 HD2 LYS 17 HD2 LYS 17 -6.072 -5.649 6.602
137 HD3 LYS 17 HD3 LYS 17 -6.847 -7.132 6.046
138 HE2 LYS 17 HE2 LYS 17 -6.004 -8.327 7.989
139 HE3 LYS 17 HE3 LYS 17 -5.167 -6.874 8.536
140 HZ1 LYS 17 HZ1 LYS 17 -8.113 -7.179 8.254
141 HZ2 LYS 17 HZ2 LYS 17 -7.310 -5.777 8.769
142 HZ3 LYS 17 HZ3 LYS 17 -7.247 -7.181 9.711
143 H SER 18 H SER 18 -4.697 -8.731 2.263
144 HA SER 18 HA SER 18 -3.862 -11.074 3.661
145 HB2 SER 18 HB2 SER 18 -5.230 -10.825 0.971
146 HB3 SER 18 HB3 SER 18 -5.140 -12.281 1.966
147 HG SER 18 HG SER 18 -6.580 -9.894 2.416
148 H PHE 19 H PHE 19 -2.741 -9.330 0.846
149 HA PHE 19 HA PHE 19 -1.123 -11.459 -0.165
150 HB2 PHE 19 HB2 PHE 19 -1.729 -8.683 -0.874
151 HB3 PHE 19 HB3 PHE 19 -0.077 -9.161 -1.225
152 HD1 PHE 19 HD2 PHE 19 -3.592 -10.288 -1.714
153 HD2 PHE 19 HD1 PHE 19 0.399 -10.281 -3.193
154 HE1 PHE 19 HE2 PHE 19 -4.357 -11.397 -3.772
155 HE2 PHE 19 HE1 PHE 19 -0.360 -11.391 -5.254
156 HZ PHE 19 HZ PHE 19 -2.741 -11.949 -5.547
157 H VAL 20 H VAL 20 -0.466 -8.504 1.707
158 HA VAL 20 HA VAL 20 2.327 -8.883 1.841
159 HB VAL 20 HB VAL 20 1.129 -6.731 2.313
160 HG11 VAL 20 HG11 VAL 20 0.591 -8.033 4.974
161 HG12 VAL 20 HG12 VAL 20 -0.611 -7.548 3.776
162 HG13 VAL 20 HG13 VAL 20 0.352 -6.325 4.606
163 HG21 VAL 20 HG21 VAL 20 3.117 -7.699 4.360
164 HG22 VAL 20 HG22 VAL 20 2.694 -6.010 4.080
165 HG23 VAL 20 HG23 VAL 20 3.475 -6.946 2.806
166 H ARG 21 H ARG 21 -0.305 -10.070 3.874
167 HA ARG 21 HA ARG 21 1.482 -11.103 5.882
168 HB2 ARG 21 HB2 ARG 21 -0.445 -11.981 6.958
169 HB3 ARG 21 HB3 ARG 21 -0.941 -10.435 6.280
170 HG2 ARG 21 HG2 ARG 21 -2.037 -11.545 4.445
171 HG3 ARG 21 HG3 ARG 21 -1.444 -13.112 4.996
172 HD2 ARG 21 HD2 ARG 21 -2.710 -12.741 7.125
173 HD3 ARG 21 HD3 ARG 21 -3.419 -11.306 6.382
174 HE ARG 21 HE ARG 21 -3.834 -13.432 4.634
175 HH11 ARG 21 HH11 ARG 21 -4.844 -12.468 7.856
176 HH12 ARG 21 HH12 ARG 21 -6.338 -13.358 7.785
177 HH21 ARG 21 HH21 ARG 21 -5.766 -14.589 4.543
178 HH22 ARG 21 HH22 ARG 21 -6.861 -14.575 5.901
179 H LYS 22 H LYS 22 0.466 -12.084 2.819
180 HA LYS 22 HA LYS 22 0.523 -14.915 3.260
181 HB2 LYS 22 HB2 LYS 22 -0.889 -13.917 1.523
182 HB3 LYS 22 HB3 LYS 22 0.539 -13.315 0.696
183 HG2 LYS 22 HG2 LYS 22 -0.375 -15.310 -0.372
184 HG3 LYS 22 HG3 LYS 22 1.260 -15.577 0.230
185 HD2 LYS 22 HD2 LYS 22 0.403 -16.762 2.148
186 HD3 LYS 22 HD3 LYS 22 -1.257 -16.391 1.677
187 HE2 LYS 22 HE2 LYS 22 -1.034 -17.716 -0.324
188 HE3 LYS 22 HE3 LYS 22 0.675 -17.993 0.006
189 HZ1 LYS 22 HZ1 LYS 22 -0.779 -19.876 0.602
190 HZ2 LYS 22 HZ2 LYS 22 -1.532 -18.902 1.770
191 HZ3 LYS 22 HZ3 LYS 22 0.115 -19.280 1.916
192 H TYR 23 H TYR 23 2.553 -12.869 1.133
193 HA TYR 23 HA TYR 23 4.756 -14.750 1.687
194 HB2 TYR 23 HB2 TYR 23 4.140 -13.244 -0.861
195 HB3 TYR 23 HB3 TYR 23 5.623 -14.151 -0.587
196 HD1 TYR 23 HD1 TYR 23 5.088 -16.647 0.356
197 HD2 TYR 23 HD2 TYR 23 2.543 -14.317 -2.133
198 HE1 TYR 23 HE1 TYR 23 3.988 -18.699 -0.430
199 HE2 TYR 23 HE2 TYR 23 1.432 -16.364 -2.919
200 HH TYR 23 HH TYR 23 1.844 -18.736 -3.103
201 H ARG 24 H ARG 24 3.862 -11.980 2.775
202 HA ARG 24 HA ARG 24 4.822 -10.101 3.593
203 HB2 ARG 24 HB2 ARG 24 7.376 -11.616 3.049
204 HB3 ARG 24 HB3 ARG 24 7.305 -10.084 3.907
205 HG2 ARG 24 HG2 ARG 24 5.976 -12.641 4.772
206 HG3 ARG 24 HG3 ARG 24 7.471 -11.980 5.433
207 HD2 ARG 24 HD2 ARG 24 6.130 -9.903 6.007
208 HD3 ARG 24 HD3 ARG 24 4.692 -10.844 5.616
209 HE ARG 24 HE ARG 24 5.629 -12.456 7.388
210 HH11 ARG 24 HH11 ARG 24 6.001 -8.970 7.473
211 HH12 ARG 24 HH12 ARG 24 6.100 -8.893 9.205
212 HH21 ARG 24 HH21 ARG 24 5.769 -12.350 9.684
213 HH22 ARG 24 HH22 ARG 24 5.981 -10.802 10.446
214 H ARG 25 H ARG 25 4.061 -8.783 1.981
215 HA ARG 25 HA ARG 25 4.174 -7.185 0.375
216 HB2 ARG 25 HB2 ARG 25 6.491 -6.851 1.437
217 HB3 ARG 25 HB3 ARG 25 7.118 -7.788 0.096
218 HG2 ARG 25 HG2 ARG 25 5.427 -5.488 -0.621
219 HG3 ARG 25 HG3 ARG 25 6.981 -5.115 0.125
220 HD2 ARG 25 HD2 ARG 25 7.844 -6.894 -1.615
221 HD3 ARG 25 HD3 ARG 25 6.377 -6.426 -2.472
222 HE ARG 25 HE ARG 25 8.050 -4.227 -1.590
223 HH11 ARG 25 HH11 ARG 25 7.188 -6.359 -4.242
224 HH12 ARG 25 HH12 ARG 25 8.006 -5.403 -5.440
225 HH21 ARG 25 HH21 ARG 25 9.106 -2.975 -3.147
226 HH22 ARG 25 HH22 ARG 25 9.101 -3.472 -4.813
227 H PHE 26 H PHE 26 4.626 -7.002 -2.049
228 HA PHE 26 HA PHE 26 4.574 -9.698 -3.203
229 HB2 PHE 26 HB2 PHE 26 3.218 -8.623 -5.088
230 HB3 PHE 26 HB3 PHE 26 2.413 -8.881 -3.551
231 HD1 PHE 26 HD1 PHE 26 2.083 -6.900 -2.011
232 HD2 PHE 26 HD2 PHE 26 3.340 -6.486 -6.059
233 HE1 PHE 26 HE1 PHE 26 1.345 -4.549 -1.998
234 HE2 PHE 26 HE2 PHE 26 2.609 -4.132 -6.047
235 HZ PHE 26 HZ PHE 26 1.605 -3.167 -4.017
236 HA PRO 27 HA PRO 27 8.171 -7.822 -5.251
237 HB2 PRO 27 HB2 PRO 27 9.927 -9.767 -4.740
238 HB3 PRO 27 HB3 PRO 27 9.466 -8.599 -3.496
239 HG2 PRO 27 HG2 PRO 27 8.643 -11.437 -3.829
240 HG3 PRO 27 HG3 PRO 27 8.890 -10.505 -2.345
241 HD2 PRO 27 HD2 PRO 27 6.427 -11.056 -3.604
242 HD3 PRO 27 HD3 PRO 27 6.707 -9.910 -2.279
243 H LYS 28 H LYS 28 6.237 -10.494 -5.801
244 HA LYS 28 HA LYS 28 7.372 -10.871 -8.478
245 HB2 LYS 28 HB2 LYS 28 8.122 -12.727 -6.958
246 HB3 LYS 28 HB3 LYS 28 6.430 -13.152 -6.729
247 HG2 LYS 28 HG2 LYS 28 6.298 -13.427 -9.239
248 HG3 LYS 28 HG3 LYS 28 8.060 -13.315 -9.246
249 HD2 LYS 28 HD2 LYS 28 6.388 -15.361 -7.789
250 HD3 LYS 28 HD3 LYS 28 7.381 -15.639 -9.219
251 HE2 LYS 28 HE2 LYS 28 9.391 -15.154 -7.966
252 HE3 LYS 28 HE3 LYS 28 8.438 -14.731 -6.544
253 HZ1 LYS 28 HZ1 LYS 28 9.235 -16.927 -6.247
254 HZ2 LYS 28 HZ2 LYS 28 8.725 -17.408 -7.791
255 HZ3 LYS 28 HZ3 LYS 28 7.578 -17.058 -6.591
256 H SER 29 H SER 29 4.691 -11.600 -6.287
257 HA SER 29 HA SER 29 2.729 -11.886 -8.302
258 HB2 SER 29 HB2 SER 29 2.257 -11.033 -5.443
259 HB3 SER 29 HB3 SER 29 1.166 -11.931 -6.500
260 HG SER 29 HG SER 29 2.328 -13.731 -6.221
261 H THR 30 H THR 30 1.302 -10.395 -9.147
262 HA THR 30 HA THR 30 1.811 -7.584 -8.411
263 HB THR 30 HB THR 30 1.243 -7.016 -10.801
264 HG1 THR 30 HG1 THR 30 1.264 -9.833 -10.947
265 HG21 THR 30 HG21 THR 30 3.477 -7.564 -11.659
266 HG22 THR 30 HG22 THR 30 3.693 -8.723 -10.347
267 HG23 THR 30 HG23 THR 30 3.550 -7.004 -9.986
268 H GLU 31 H GLU 31 -0.527 -9.938 -9.591
269 HA GLU 31 HA GLU 31 -2.770 -10.144 -9.294
270 HB2 GLU 31 HB2 GLU 31 -2.138 -9.436 -6.957
271 HB3 GLU 31 HB3 GLU 31 -2.540 -7.791 -7.408
272 HG2 GLU 31 HG2 GLU 31 -4.588 -9.925 -7.731
273 HG3 GLU 31 HG3 GLU 31 -4.225 -9.300 -6.132
274 H GLY 32 H GLY 32 -1.331 -7.740 -10.770
275 HA2 GLY 32 HA2 GLY 32 -2.024 -6.381 -12.516
276 HA3 GLY 32 HA3 GLY 32 -3.679 -6.884 -12.193
277 H ASN 33 H ASN 33 -4.584 -5.982 -10.063
278 HA ASN 33 HA ASN 33 -4.515 -3.148 -10.333
279 HB2 ASN 33 HB2 ASN 33 -5.931 -4.972 -8.396
280 HB3 ASN 33 HB3 ASN 33 -6.061 -3.217 -8.311
281 HD21 ASN 33 HD21 ASN 33 -8.128 -5.170 -8.809
282 HD22 ASN 33 HD22 ASN 33 -8.811 -4.780 -10.352
283 H LEU 34 H LEU 34 -3.502 -5.348 -7.706
284 HA LEU 34 HA LEU 34 -2.526 -3.379 -5.971
285 HB2 LEU 34 HB2 LEU 34 -1.596 -6.213 -6.384
286 HB3 LEU 34 HB3 LEU 34 -1.043 -5.193 -5.075
287 HG LEU 34 HG LEU 34 -3.893 -6.091 -5.518
288 HD11 LEU 34 HD11 LEU 34 -3.552 -7.429 -3.516
289 HD12 LEU 34 HD12 LEU 34 -1.876 -6.889 -3.427
290 HD13 LEU 34 HD13 LEU 34 -2.409 -7.888 -4.778
291 HD21 LEU 34 HD21 LEU 34 -2.667 -4.491 -3.273
292 HD22 LEU 34 HD22 LEU 34 -4.327 -5.084 -3.336
293 HD23 LEU 34 HD23 LEU 34 -3.779 -3.876 -4.497
294 H GLY 35 H GLY 35 -0.879 -5.117 -8.576
295 HA2 GLY 35 HA2 GLY 35 1.675 -4.050 -8.268
296 HA3 GLY 35 HA3 GLY 35 0.987 -4.577 -9.798
297 H GLY 36 H GLY 36 -1.089 -2.772 -10.066
298 HA2 GLY 36 HA2 GLY 36 0.276 -0.461 -11.028
299 HA3 GLY 36 HA3 GLY 36 -1.467 -0.691 -10.983
300 H TRP 37 H TRP 37 -1.793 -1.114 -8.249
301 HA TRP 37 HA TRP 37 -2.004 1.425 -7.142
302 HB2 TRP 37 HB2 TRP 37 -2.920 -0.942 -6.382
303 HB3 TRP 37 HB3 TRP 37 -1.486 -0.925 -5.364
304 HD1 TRP 37 HD1 TRP 37 -4.646 1.185 -6.014
305 HE1 TRP 37 HE1 TRP 37 -5.221 2.447 -3.860
306 HE3 TRP 37 HE3 TRP 37 -0.636 -0.197 -3.155
307 HZ2 TRP 37 HZ2 TRP 37 -4.134 2.809 -1.277
308 HZ3 TRP 37 HZ3 TRP 37 -0.479 0.649 -0.855
309 HH2 TRP 37 HH2 TRP 37 -2.192 2.121 0.068
310 H CYS 38 H CYS 38 0.471 -1.059 -6.639
311 HA CYS 38 HA CYS 38 2.150 0.466 -4.980
312 HB2 CYS 38 HB2 CYS 38 2.299 -1.983 -5.180
313 HB3 CYS 38 HB3 CYS 38 2.863 -1.813 -6.838
314 HG CYS 38 HG CYS 38 4.541 -0.896 -4.000
315 H HIS 39 H HIS 39 2.273 -0.125 -8.503
316 HA HIS 39 HA HIS 39 4.687 1.117 -9.036
317 HB2 HIS 39 HB2 HIS 39 2.247 0.617 -10.685
318 HB3 HIS 39 HB3 HIS 39 3.534 1.622 -11.344
319 HD1 HIS 39 HD1 HIS 39 2.524 -1.499 -11.998
320 HD2 HIS 39 HD2 HIS 39 6.108 -0.132 -10.379
321 HE1 HIS 39 HE1 HIS 39 4.219 -3.292 -12.475
322 HE2 HIS 39 HE2 HIS 39 6.414 -2.352 -11.671
323 H THR 40 H THR 40 1.469 2.610 -8.967
324 HA THR 40 HA THR 40 2.420 5.176 -9.733
325 HB THR 40 HB THR 40 -0.123 4.456 -8.257
326 HG1 THR 40 HG1 THR 40 -0.073 4.991 -11.010
327 HG21 THR 40 HG21 THR 40 -0.995 6.541 -9.261
328 HG22 THR 40 HG22 THR 40 0.617 6.894 -9.882
329 HG23 THR 40 HG23 THR 40 0.334 6.839 -8.143
330 H GLN 41 H GLN 41 1.728 3.664 -6.598
331 HA GLN 41 HA GLN 41 2.191 6.172 -5.254
332 HB2 GLN 41 HB2 GLN 41 1.134 3.522 -4.405
333 HB3 GLN 41 HB3 GLN 41 1.625 4.723 -3.203
334 HG2 GLN 41 HG2 GLN 41 0.067 6.293 -3.954
335 HG3 GLN 41 HG3 GLN 41 -0.189 5.438 -5.471
336 HE21 GLN 41 HE21 GLN 41 -1.431 3.609 -5.499
337 HE22 GLN 41 HE22 GLN 41 -2.552 3.254 -4.241
338 H ARG 42 H ARG 42 4.136 3.481 -6.058
339 HA ARG 42 HA ARG 42 5.999 3.799 -3.906
340 HB2 ARG 42 HB2 ARG 42 7.560 2.473 -5.317
341 HB3 ARG 42 HB3 ARG 42 6.003 1.697 -5.082
342 HG2 ARG 42 HG2 ARG 42 6.380 1.313 -7.303
343 HG3 ARG 42 HG3 ARG 42 5.423 2.791 -7.371
344 HD2 ARG 42 HD2 ARG 42 7.607 4.055 -7.450
345 HD3 ARG 42 HD3 ARG 42 8.402 2.496 -7.683
346 HE ARG 42 HE ARG 42 6.359 3.566 -9.531
347 HH11 ARG 42 HH11 ARG 42 9.321 1.802 -8.918
348 HH12 ARG 42 HH12 ARG 42 9.696 1.589 -10.602
349 HH21 ARG 42 HH21 ARG 42 6.812 3.261 -11.742
350 HH22 ARG 42 HH22 ARG 42 8.259 2.416 -12.216
351 H LYS 43 H LYS 43 5.157 5.738 -6.423
352 HA LYS 43 HA LYS 43 7.727 7.101 -6.576
353 HB2 LYS 43 HB2 LYS 43 6.319 6.842 -8.609
354 HB3 LYS 43 HB3 LYS 43 5.048 7.762 -7.831
355 HG2 LYS 43 HG2 LYS 43 7.725 9.016 -8.149
356 HG3 LYS 43 HG3 LYS 43 6.663 8.877 -9.550
357 HD2 LYS 43 HD2 LYS 43 5.033 9.827 -7.494
358 HD3 LYS 43 HD3 LYS 43 6.548 10.720 -7.331
359 HE2 LYS 43 HE2 LYS 43 4.943 10.449 -9.873
360 HE3 LYS 43 HE3 LYS 43 4.935 11.854 -8.808
361 HZ1 LYS 43 HZ1 LYS 43 7.137 12.358 -9.340
362 HZ2 LYS 43 HZ2 LYS 43 6.431 11.948 -10.826
363 HZ3 LYS 43 HZ3 LYS 43 7.432 10.838 -10.025
364 H MET 44 H MET 44 4.417 7.624 -5.445
365 HA MET 44 HA MET 44 4.777 10.275 -4.526
366 HB2 MET 44 HB2 MET 44 2.746 8.340 -3.419
367 HB3 MET 44 HB3 MET 44 2.605 10.083 -3.602
368 HG2 MET 44 HG2 MET 44 2.661 8.066 -5.835
369 HG3 MET 44 HG3 MET 44 1.237 8.906 -5.225
370 HE1 MET 44 HE1 MET 44 2.723 8.655 -8.212
371 HE2 MET 44 HE2 MET 44 2.307 10.230 -8.896
372 HE3 MET 44 HE3 MET 44 1.085 9.288 -8.040
373 H ARG 45 H ARG 45 5.354 7.164 -3.100
374 HA ARG 45 HA ARG 45 5.255 7.685 -0.393
375 HB2 ARG 45 HB2 ARG 45 6.900 5.854 -0.138
376 HB3 ARG 45 HB3 ARG 45 5.630 5.445 -1.279
377 HG2 ARG 45 HG2 ARG 45 7.043 5.698 -3.127
378 HG3 ARG 45 HG3 ARG 45 8.253 6.570 -2.193
379 HD2 ARG 45 HD2 ARG 45 8.797 4.520 -0.979
380 HD3 ARG 45 HD3 ARG 45 7.565 3.646 -1.896
381 HE ARG 45 HE ARG 45 8.948 4.392 -3.919
382 HH11 ARG 45 HH11 ARG 45 10.334 3.571 -0.808
383 HH12 ARG 45 HH12 ARG 45 11.887 3.176 -1.466
384 HH21 ARG 45 HH21 ARG 45 10.996 3.869 -4.781
385 HH22 ARG 45 HH22 ARG 45 12.268 3.348 -3.714
386 H LYS 46 H LYS 46 7.997 8.166 -2.577
387 HA LYS 46 HA LYS 46 9.673 9.164 -0.452
388 HB2 LYS 46 HB2 LYS 46 10.561 7.741 -2.280
389 HB3 LYS 46 HB3 LYS 46 10.162 9.002 -3.437
390 HG2 LYS 46 HG2 LYS 46 11.973 9.611 -1.143
391 HG3 LYS 46 HG3 LYS 46 12.589 8.758 -2.557
392 HD2 LYS 46 HD2 LYS 46 12.027 10.569 -3.994
393 HD3 LYS 46 HD3 LYS 46 11.106 11.374 -2.722
394 HE2 LYS 46 HE2 LYS 46 13.252 12.449 -3.017
395 HE3 LYS 46 HE3 LYS 46 13.165 11.674 -1.438
396 HZ1 LYS 46 HZ1 LYS 46 15.297 11.240 -2.439
397 HZ2 LYS 46 HZ2 LYS 46 14.570 10.628 -3.841
398 HZ3 LYS 46 HZ3 LYS 46 14.422 9.789 -2.375
399 H GLN 47 H GLN 47 8.086 10.395 -3.334
400 HA GLN 47 HA GLN 47 8.963 13.040 -3.240
401 HB2 GLN 47 HB2 GLN 47 6.318 12.015 -4.272
402 HB3 GLN 47 HB3 GLN 47 7.086 13.526 -4.722
403 HG2 GLN 47 HG2 GLN 47 8.175 10.774 -5.274
404 HG3 GLN 47 HG3 GLN 47 7.331 11.792 -6.433
405 HE21 GLN 47 HE21 GLN 47 9.093 11.720 -7.814
406 HE22 GLN 47 HE22 GLN 47 10.523 12.637 -7.524
407 H GLY 48 H GLY 48 6.749 11.407 -1.206
408 HA2 GLY 48 HA2 GLY 48 5.765 12.186 0.743
409 HA3 GLY 48 HA3 GLY 48 6.316 13.808 0.337
410 H LYS 49 H LYS 49 4.410 11.664 -1.695
411 HA LYS 49 HA LYS 49 2.303 13.725 -1.728
412 HB2 LYS 49 HB2 LYS 49 2.925 11.627 -3.815
413 HB3 LYS 49 HB3 LYS 49 1.713 12.891 -3.948
414 HG2 LYS 49 HG2 LYS 49 4.613 13.547 -3.583
415 HG3 LYS 49 HG3 LYS 49 3.944 13.191 -5.172
416 HD2 LYS 49 HD2 LYS 49 3.928 15.557 -4.920
417 HD3 LYS 49 HD3 LYS 49 2.259 15.014 -4.762
418 HE2 LYS 49 HE2 LYS 49 2.398 15.197 -2.349
419 HE3 LYS 49 HE3 LYS 49 4.104 15.632 -2.457
420 HZ1 LYS 49 HZ1 LYS 49 3.518 17.652 -3.583
421 HZ2 LYS 49 HZ2 LYS 49 2.640 17.555 -2.136
422 HZ3 LYS 49 HZ3 LYS 49 1.876 17.222 -3.615
423 H LEU 50 H LEU 50 3.061 10.664 -0.657
424 HA LEU 50 HA LEU 50 0.519 9.406 -0.998
425 HB2 LEU 50 HB2 LEU 50 3.067 8.785 0.392
426 HB3 LEU 50 HB3 LEU 50 1.627 7.963 0.954
427 HG LEU 50 HG LEU 50 2.831 7.845 -1.805
428 HD11 LEU 50 HD11 LEU 50 2.417 5.759 0.331
429 HD12 LEU 50 HD12 LEU 50 3.957 6.477 -0.140
430 HD13 LEU 50 HD13 LEU 50 3.071 5.463 -1.279
431 HD21 LEU 50 HD21 LEU 50 1.034 6.295 -2.353
432 HD22 LEU 50 HD22 LEU 50 0.401 7.895 -1.967
433 HD23 LEU 50 HD23 LEU 50 0.290 6.591 -0.784
434 HA PRO 51 HA PRO 51 -1.511 11.080 2.614
435 HB2 PRO 51 HB2 PRO 51 -3.201 8.695 2.563
436 HB3 PRO 51 HB3 PRO 51 -3.647 10.381 2.294
437 HG2 PRO 51 HG2 PRO 51 -3.625 8.541 0.313
438 HG3 PRO 51 HG3 PRO 51 -3.278 10.256 0.033
439 HD2 PRO 51 HD2 PRO 51 -1.383 7.954 0.262
440 HD3 PRO 51 HD3 PRO 51 -1.334 9.358 -0.816
441 H ASN 52 H ASN 52 -1.225 10.797 4.716
442 HA ASN 52 HA ASN 52 0.602 8.863 5.628
443 HB2 ASN 52 HB2 ASN 52 -1.070 10.915 7.019
444 HB3 ASN 52 HB3 ASN 52 -0.198 9.706 7.959
445 HD21 ASN 52 HD21 ASN 52 0.307 12.421 8.143
446 HD22 ASN 52 HD22 ASN 52 1.898 12.728 7.530
447 H ASP 53 H ASP 53 -2.821 8.795 5.383
448 HA ASP 53 HA ASP 53 -3.371 6.880 7.386
449 HB2 ASP 53 HB2 ASP 53 -4.835 7.265 4.761
450 HB3 ASP 53 HB3 ASP 53 -5.459 6.454 6.191
451 H ARG 54 H ARG 54 -2.834 6.554 3.904
452 HA ARG 54 HA ARG 54 -2.932 3.748 3.823
453 HB2 ARG 54 HB2 ARG 54 -1.515 5.658 1.959
454 HB3 ARG 54 HB3 ARG 54 -1.823 3.960 1.625
455 HG2 ARG 54 HG2 ARG 54 -4.235 4.397 1.733
456 HG3 ARG 54 HG3 ARG 54 -3.896 6.107 2.010
457 HD2 ARG 54 HD2 ARG 54 -2.685 6.177 -0.143
458 HD3 ARG 54 HD3 ARG 54 -3.141 4.497 -0.423
459 HE ARG 54 HE ARG 54 -5.533 5.633 -0.032
460 HH11 ARG 54 HH11 ARG 54 -2.839 6.532 -2.089
461 HH12 ARG 54 HH12 ARG 54 -3.830 7.418 -3.205
462 HH21 ARG 54 HH21 ARG 54 -6.829 6.762 -1.512
463 HH22 ARG 54 HH22 ARG 54 -6.104 7.555 -2.878
464 H ARG 55 H ARG 55 -0.175 5.987 4.052
465 HA ARG 55 HA ARG 55 1.778 3.954 3.845
466 HB2 ARG 55 HB2 ARG 55 3.392 5.630 4.643
467 HB3 ARG 55 HB3 ARG 55 2.363 6.261 3.371
468 HG2 ARG 55 HG2 ARG 55 2.312 8.035 4.753
469 HG3 ARG 55 HG3 ARG 55 0.976 7.126 5.463
470 HD2 ARG 55 HD2 ARG 55 2.455 6.211 7.151
471 HD3 ARG 55 HD3 ARG 55 3.838 7.004 6.405
472 HE ARG 55 HE ARG 55 2.286 9.093 6.966
473 HH11 ARG 55 HH11 ARG 55 3.202 6.316 8.915
474 HH12 ARG 55 HH12 ARG 55 3.155 7.202 10.411
475 HH21 ARG 55 HH21 ARG 55 2.246 10.250 8.954
476 HH22 ARG 55 HH22 ARG 55 2.622 9.420 10.434
477 H LEU 56 H LEU 56 -0.140 5.075 6.481
478 HA LEU 56 HA LEU 56 1.513 3.836 8.496
479 HB2 LEU 56 HB2 LEU 56 0.218 5.801 9.085
480 HB3 LEU 56 HB3 LEU 56 -1.267 5.006 8.607
481 HG LEU 56 HG LEU 56 -1.002 3.405 10.460
482 HD11 LEU 56 HD11 LEU 56 1.371 5.111 11.210
483 HD12 LEU 56 HD12 LEU 56 1.435 3.446 10.632
484 HD13 LEU 56 HD13 LEU 56 0.680 3.811 12.183
485 HD21 LEU 56 HD21 LEU 56 -0.889 6.308 11.265
486 HD22 LEU 56 HD22 LEU 56 -1.487 4.988 12.269
487 HD23 LEU 56 HD23 LEU 56 -2.331 5.416 10.780
488 H LEU 57 H LEU 57 -1.421 3.099 6.687
489 HA LEU 57 HA LEU 57 -2.099 0.734 8.087
490 HB2 LEU 57 HB2 LEU 57 -2.688 1.409 5.203
491 HB3 LEU 57 HB3 LEU 57 -3.505 0.198 6.169
492 HG LEU 57 HG LEU 57 -3.646 3.189 6.486
493 HD11 LEU 57 HD11 LEU 57 -5.716 1.097 5.844
494 HD12 LEU 57 HD12 LEU 57 -5.052 2.297 4.733
495 HD13 LEU 57 HD13 LEU 57 -6.042 2.812 6.102
496 HD21 LEU 57 HD21 LEU 57 -3.511 2.152 8.689
497 HD22 LEU 57 HD22 LEU 57 -4.836 1.067 8.262
498 HD23 LEU 57 HD23 LEU 57 -5.119 2.805 8.378
499 H LEU 58 H LEU 58 -0.177 1.335 5.176
500 HA LEU 58 HA LEU 58 0.373 -1.367 4.572
501 HB2 LEU 58 HB2 LEU 58 1.970 1.121 3.955
502 HB3 LEU 58 HB3 LEU 58 2.259 -0.454 3.239
503 HG LEU 58 HG LEU 58 -0.245 1.200 2.905
504 HD11 LEU 58 HD11 LEU 58 1.637 2.140 1.703
505 HD12 LEU 58 HD12 LEU 58 0.496 1.408 0.574
506 HD13 LEU 58 HD13 LEU 58 1.992 0.570 0.986
507 HD21 LEU 58 HD21 LEU 58 -0.891 -0.493 1.256
508 HD22 LEU 58 HD22 LEU 58 -0.744 -1.179 2.875
509 HD23 LEU 58 HD23 LEU 58 0.529 -1.447 1.684
510 H ASP 59 H ASP 59 2.139 1.034 6.474
511 HA ASP 59 HA ASP 59 4.313 -0.676 7.114
512 HB2 ASP 59 HB2 ASP 59 4.393 1.811 7.236
513 HB3 ASP 59 HB3 ASP 59 3.328 1.747 8.635
514 H LYS 60 H LYS 60 1.118 -0.366 8.295
515 HA LYS 60 HA LYS 60 1.563 -1.632 10.827
516 HB2 LYS 60 HB2 LYS 60 -0.248 -0.094 10.693
517 HB3 LYS 60 HB3 LYS 60 -0.895 -0.863 9.255
518 HG2 LYS 60 HG2 LYS 60 -0.762 -2.451 11.763
519 HG3 LYS 60 HG3 LYS 60 -1.996 -1.198 11.617
520 HD2 LYS 60 HD2 LYS 60 -1.550 -3.426 9.632
521 HD3 LYS 60 HD3 LYS 60 -2.773 -3.435 10.897
522 HE2 LYS 60 HE2 LYS 60 -2.590 -1.332 8.748
523 HE3 LYS 60 HE3 LYS 60 -3.607 -2.764 8.631
524 HZ1 LYS 60 HZ1 LYS 60 -4.947 -0.984 9.395
525 HZ2 LYS 60 HZ2 LYS 60 -3.837 -0.553 10.601
526 HZ3 LYS 60 HZ3 LYS 60 -4.700 -2.008 10.724
527 H ILE 61 H ILE 61 0.441 -2.638 7.616
528 HA ILE 61 HA ILE 61 -0.113 -5.323 8.520
529 HB ILE 61 HB ILE 61 -0.471 -5.839 6.100
530 HG12 ILE 61 HG12 ILE 61 0.029 -2.871 5.773
531 HG13 ILE 61 HG13 ILE 61 1.029 -4.169 5.129
532 HG21 ILE 61 HG21 ILE 61 -2.017 -3.492 7.187
533 HG22 ILE 61 HG22 ILE 61 -2.304 -5.187 7.575
534 HG23 ILE 61 HG23 ILE 61 -2.564 -4.605 5.932
535 HD11 ILE 61 HD11 ILE 61 -0.389 -3.178 3.415
536 HD12 ILE 61 HD12 ILE 61 -1.823 -3.604 4.350
537 HD13 ILE 61 HD13 ILE 61 -0.795 -4.873 3.682
538 H GLY 62 H GLY 62 2.671 -3.661 7.637
539 HA2 GLY 62 HA2 GLY 62 4.797 -4.671 8.028
540 HA3 GLY 62 HA3 GLY 62 4.110 -6.220 7.568
541 H PHE 63 H PHE 63 3.617 -3.304 5.704
542 HA PHE 63 HA PHE 63 4.859 -4.561 3.410
543 HB2 PHE 63 HB2 PHE 63 2.726 -3.337 3.162
544 HB3 PHE 63 HB3 PHE 63 3.510 -1.862 3.706
545 HD1 PHE 63 HD1 PHE 63 3.442 -4.369 0.992
546 HD2 PHE 63 HD2 PHE 63 4.676 -0.484 2.208
547 HE1 PHE 63 HE1 PHE 63 4.018 -3.828 -1.337
548 HE2 PHE 63 HE2 PHE 63 5.261 0.064 -0.118
549 HZ PHE 63 HZ PHE 63 4.930 -1.608 -1.895
550 H VAL 64 H VAL 64 6.887 -4.364 2.942
551 HA VAL 64 HA VAL 64 8.571 -2.454 4.237
552 HB VAL 64 HB VAL 64 9.326 -4.744 3.737
553 HG11 VAL 64 HG11 VAL 64 8.248 -5.100 1.598
554 HG12 VAL 64 HG12 VAL 64 9.986 -5.369 1.458
555 HG13 VAL 64 HG13 VAL 64 9.272 -3.875 0.851
556 HG21 VAL 64 HG21 VAL 64 10.922 -2.555 2.413
557 HG22 VAL 64 HG22 VAL 64 11.556 -4.142 2.846
558 HG23 VAL 64 HG23 VAL 64 10.993 -3.042 4.105
559 H TRP 65 H TRP 65 9.334 -0.569 3.453
560 HA TRP 65 HA TRP 65 7.962 0.438 1.096
561 HB2 TRP 65 HB2 TRP 65 9.498 1.762 3.324
562 HB3 TRP 65 HB3 TRP 65 8.961 2.648 1.902
563 HD1 TRP 65 HD1 TRP 65 7.728 1.249 5.186
564 HE1 TRP 65 HE1 TRP 65 5.267 1.929 5.512
565 HE3 TRP 65 HE3 TRP 65 6.774 3.083 0.521
566 HZ2 TRP 65 HZ2 TRP 65 3.195 3.104 3.986
567 HZ3 TRP 65 HZ3 TRP 65 4.535 3.966 0.028
568 HH2 TRP 65 HH2 TRP 65 2.783 3.971 1.725
569 H SER 66 H SER 66 11.075 -0.700 1.924
570 HA SER 66 HA SER 66 13.118 -0.648 0.929
571 HB2 SER 66 HB2 SER 66 11.525 0.269 -1.481
572 HB3 SER 66 HB3 SER 66 13.219 -0.221 -1.523
573 HG SER 66 HG SER 66 12.608 -2.290 -0.893
574 H LEU 67 H LEU 67 11.933 1.581 2.316
575 HA LEU 67 HA LEU 67 13.771 3.693 1.474
576 HB2 LEU 67 HB2 LEU 67 11.482 4.222 0.618
577 HB3 LEU 67 HB3 LEU 67 10.883 4.146 2.262
578 HG LEU 67 HG LEU 67 12.337 6.065 2.853
579 HD11 LEU 67 HD11 LEU 67 14.071 5.757 1.181
580 HD12 LEU 67 HD12 LEU 67 13.358 7.366 1.045
581 HD13 LEU 67 HD13 LEU 67 12.912 6.104 -0.104
582 HD21 LEU 67 HD21 LEU 67 10.476 6.535 0.530
583 HD22 LEU 67 HD22 LEU 67 11.028 7.756 1.676
584 HD23 LEU 67 HD23 LEU 67 10.009 6.426 2.226
585 H GLU 68 H GLU 68 14.212 5.185 3.315
586 HA GLU 68 HA GLU 68 14.833 3.731 5.620
587 HB2 GLU 68 HB2 GLU 68 14.712 6.714 5.170
588 HB3 GLU 68 HB3 GLU 68 15.361 5.970 6.624
589 HG2 GLU 68 HG2 GLU 68 17.048 4.822 5.272
590 HG3 GLU 68 HG3 GLU 68 16.404 5.599 3.826
591 H HIS 69 H HIS 69 13.189 2.784 6.684
592 HA HIS 69 HA HIS 69 10.836 4.236 7.490
593 HB2 HIS 69 HB2 HIS 69 10.767 1.795 7.105
594 HB3 HIS 69 HB3 HIS 69 11.904 1.555 8.424
595 HD1 HIS 69 HD1 HIS 69 10.917 1.170 10.669
596 HD2 HIS 69 HD2 HIS 69 8.205 2.894 8.029
597 HE1 HIS 69 HE1 HIS 69 8.711 1.202 11.884
598 HE2 HIS 69 HE2 HIS 69 7.045 1.986 10.156
599 H HIS 70 H HIS 70 11.870 6.031 8.473
600 HA HIS 70 HA HIS 70 12.902 5.457 11.169
601 HB2 HIS 70 HB2 HIS 70 14.725 5.994 9.495
602 HB3 HIS 70 HB3 HIS 70 14.015 7.595 9.343
603 HD1 HIS 70 HD1 HIS 70 16.902 7.231 10.305
604 HD2 HIS 70 HD2 HIS 70 13.638 7.534 12.862
605 HE1 HIS 70 HE1 HIS 70 17.824 8.084 12.486
606 HE2 HIS 70 HE2 HIS 70 15.876 7.988 14.081
607 H HIS 71 H HIS 71 12.047 8.226 9.098
608 HA HIS 71 HA HIS 71 10.812 10.097 9.442
609 HB2 HIS 71 HB2 HIS 71 9.085 8.380 10.265
610 HB3 HIS 71 HB3 HIS 71 9.601 8.804 11.892
611 HD1 HIS 71 HD1 HIS 71 8.514 10.817 12.932
612 HD2 HIS 71 HD2 HIS 71 7.908 10.605 8.819
613 HE1 HIS 71 HE1 HIS 71 6.873 12.638 12.391
614 HE2 HIS 71 HE2 HIS 71 6.700 12.637 9.880
615 H HIS 72 H HIS 72 10.929 12.052 10.704
616 HA HIS 72 HA HIS 72 13.277 12.111 12.344
617 HB2 HIS 72 HB2 HIS 72 11.343 14.205 11.416
618 HB3 HIS 72 HB3 HIS 72 12.502 14.577 12.690
619 HD1 HIS 72 HD1 HIS 72 14.618 15.541 11.852
620 HD2 HIS 72 HD2 HIS 72 12.831 13.060 9.026
621 HE1 HIS 72 HE1 HIS 72 16.110 15.624 9.832
622 HE2 HIS 72 HE2 HIS 72 14.925 14.256 8.079
623 H HIS 73 H HIS 73 12.617 10.634 13.964
624 HA HIS 73 HA HIS 73 10.806 11.724 15.995
625 HB2 HIS 73 HB2 HIS 73 10.768 9.263 15.234
626 HB3 HIS 73 HB3 HIS 73 12.280 9.088 16.115
627 HD1 HIS 73 HD1 HIS 73 12.138 8.780 18.622
628 HD2 HIS 73 HD2 HIS 73 8.499 9.837 16.892
629 HE1 HIS 73 HE1 HIS 73 10.408 8.506 20.437
630 HE2 HIS 73 HE2 HIS 73 8.195 8.994 19.318
631 H HIS 74 H HIS 74 14.036 11.549 15.110
632 HA HIS 74 HA HIS 74 14.903 12.943 17.466
633 HB2 HIS 74 HB2 HIS 74 15.243 10.676 18.256
634 HB3 HIS 74 HB3 HIS 74 16.050 10.230 16.756
635 HD1 HIS 74 HD1 HIS 74 16.633 12.981 19.347
636 HD2 HIS 74 HD2 HIS 74 18.698 10.077 17.203
637 HE1 HIS 74 HE1 HIS 74 19.037 13.208 20.038
638 HE2 HIS 74 HE2 HIS 74 20.217 11.293 18.908
Start of MODEL 14
1 H1 MET 1 H1 MET 1 -8.457 6.770 -16.367
2 H2 MET 1 H2 MET 1 -9.478 6.481 -17.692
3 H3 MET 1 H3 MET 1 -8.589 5.211 -17.014
4 HA MET 1 HA MET 1 -10.947 5.177 -16.386
5 HB2 MET 1 HB2 MET 1 -8.976 5.673 -14.143
6 HB3 MET 1 HB3 MET 1 -10.541 4.903 -13.956
7 HG2 MET 1 HG2 MET 1 -8.904 3.197 -13.975
8 HG3 MET 1 HG3 MET 1 -9.768 3.112 -15.507
9 HE1 MET 1 HE1 MET 1 -7.003 1.650 -14.948
10 HE2 MET 1 HE2 MET 1 -6.111 1.993 -16.433
11 HE3 MET 1 HE3 MET 1 -7.819 1.562 -16.509
12 H ASN 2 H ASN 2 -12.493 6.094 -14.769
13 HA ASN 2 HA ASN 2 -12.243 9.032 -14.660
14 HB2 ASN 2 HB2 ASN 2 -14.752 7.334 -14.568
15 HB3 ASN 2 HB3 ASN 2 -14.708 9.088 -14.444
16 HD21 ASN 2 HD21 ASN 2 -16.094 7.483 -16.371
17 HD22 ASN 2 HD22 ASN 2 -15.465 7.913 -17.928
18 H GLN 3 H GLN 3 -11.379 9.519 -12.741
19 HA GLN 3 HA GLN 3 -11.854 7.969 -10.388
20 HB2 GLN 3 HB2 GLN 3 -10.436 10.579 -10.885
21 HB3 GLN 3 HB3 GLN 3 -10.654 9.937 -9.262
22 HG2 GLN 3 HG2 GLN 3 -9.459 7.899 -9.924
23 HG3 GLN 3 HG3 GLN 3 -9.205 8.586 -11.529
24 HE21 GLN 3 HE21 GLN 3 -6.967 8.477 -11.300
25 HE22 GLN 3 HE22 GLN 3 -6.093 9.574 -10.274
26 H ASN 4 H ASN 4 -13.621 8.021 -9.249
27 HA ASN 4 HA ASN 4 -15.034 10.583 -8.880
28 HB2 ASN 4 HB2 ASN 4 -17.169 9.298 -8.831
29 HB3 ASN 4 HB3 ASN 4 -16.374 9.224 -10.399
30 HD21 ASN 4 HD21 ASN 4 -15.421 7.276 -11.060
31 HD22 ASN 4 HD22 ASN 4 -15.819 5.769 -10.316
32 H LEU 5 H LEU 5 -16.942 9.444 -7.028
33 HA LEU 5 HA LEU 5 -15.163 9.059 -4.754
34 HB2 LEU 5 HB2 LEU 5 -17.335 10.554 -4.884
35 HB3 LEU 5 HB3 LEU 5 -18.148 9.045 -4.522
36 HG LEU 5 HG LEU 5 -16.000 10.291 -2.803
37 HD11 LEU 5 HD11 LEU 5 -17.992 11.668 -2.827
38 HD12 LEU 5 HD12 LEU 5 -17.825 10.848 -1.276
39 HD13 LEU 5 HD13 LEU 5 -18.990 10.262 -2.460
40 HD21 LEU 5 HD21 LEU 5 -16.683 8.678 -1.119
41 HD22 LEU 5 HD22 LEU 5 -16.152 7.847 -2.581
42 HD23 LEU 5 HD23 LEU 5 -17.873 7.995 -2.225
43 H GLN 6 H GLN 6 -14.443 6.973 -5.591
44 HA GLN 6 HA GLN 6 -16.371 4.852 -4.938
45 HB2 GLN 6 HB2 GLN 6 -15.302 3.369 -6.479
46 HB3 GLN 6 HB3 GLN 6 -15.638 4.864 -7.330
47 HG2 GLN 6 HG2 GLN 6 -12.946 4.109 -6.207
48 HG3 GLN 6 HG3 GLN 6 -13.444 3.849 -7.875
49 HE21 GLN 6 HE21 GLN 6 -12.420 6.135 -5.513
50 HE22 GLN 6 HE22 GLN 6 -12.219 7.479 -6.585
51 H GLY 7 H GLY 7 -15.901 3.476 -3.379
52 HA2 GLY 7 HA2 GLY 7 -13.565 4.041 -1.755
53 HA3 GLY 7 HA3 GLY 7 -14.893 2.968 -1.344
54 H GLU 8 H GLU 8 -12.568 3.046 -4.054
55 HA GLU 8 HA GLU 8 -12.324 0.203 -4.017
56 HB2 GLU 8 HB2 GLU 8 -10.816 0.426 -5.828
57 HB3 GLU 8 HB3 GLU 8 -12.025 1.683 -6.047
58 HG2 GLU 8 HG2 GLU 8 -10.447 3.302 -5.038
59 HG3 GLU 8 HG3 GLU 8 -9.237 2.026 -4.984
60 H TRP 9 H TRP 9 -10.869 2.711 -2.255
61 HA TRP 9 HA TRP 9 -8.388 1.639 -1.566
62 HB2 TRP 9 HB2 TRP 9 -8.893 3.849 -0.851
63 HB3 TRP 9 HB3 TRP 9 -10.366 3.341 -0.047
64 HD1 TRP 9 HD1 TRP 9 -9.988 3.866 2.423
65 HE1 TRP 9 HE1 TRP 9 -8.170 3.351 4.173
66 HE3 TRP 9 HE3 TRP 9 -6.509 1.664 -0.630
67 HZ2 TRP 9 HZ2 TRP 9 -5.623 2.165 4.246
68 HZ3 TRP 9 HZ3 TRP 9 -4.413 0.852 0.371
69 HH2 TRP 9 HH2 TRP 9 -3.980 1.104 2.763
70 H MET 10 H MET 10 -11.580 1.112 -0.129
71 HA MET 10 HA MET 10 -10.713 -0.771 1.794
72 HB2 MET 10 HB2 MET 10 -13.403 -0.217 0.565
73 HB3 MET 10 HB3 MET 10 -13.170 -1.445 1.794
74 HG2 MET 10 HG2 MET 10 -12.476 1.458 2.162
75 HG3 MET 10 HG3 MET 10 -14.012 0.739 2.634
76 HE1 MET 10 HE1 MET 10 -10.140 -0.293 3.022
77 HE2 MET 10 HE2 MET 10 -9.946 0.150 4.718
78 HE3 MET 10 HE3 MET 10 -10.338 1.386 3.521
79 H LYS 11 H LYS 11 -11.348 -0.988 -1.573
80 HA LYS 11 HA LYS 11 -11.685 -3.846 -1.634
81 HB2 LYS 11 HB2 LYS 11 -12.677 -2.218 -3.307
82 HB3 LYS 11 HB3 LYS 11 -11.056 -1.997 -3.944
83 HG2 LYS 11 HG2 LYS 11 -12.297 -4.717 -3.784
84 HG3 LYS 11 HG3 LYS 11 -12.648 -3.631 -5.122
85 HD2 LYS 11 HD2 LYS 11 -9.887 -4.545 -4.316
86 HD3 LYS 11 HD3 LYS 11 -10.843 -5.246 -5.622
87 HE2 LYS 11 HE2 LYS 11 -10.919 -2.952 -6.648
88 HE3 LYS 11 HE3 LYS 11 -9.739 -2.450 -5.438
89 HZ1 LYS 11 HZ1 LYS 11 -8.239 -4.192 -6.285
90 HZ2 LYS 11 HZ2 LYS 11 -8.631 -3.044 -7.475
91 HZ3 LYS 11 HZ3 LYS 11 -9.372 -4.569 -7.489
92 H ASN 12 H ASN 12 -9.097 -1.554 -2.593
93 HA ASN 12 HA ASN 12 -7.356 -3.729 -3.288
94 HB2 ASN 12 HB2 ASN 12 -5.682 -1.950 -3.721
95 HB3 ASN 12 HB3 ASN 12 -7.184 -1.741 -4.600
96 HD21 ASN 12 HD21 ASN 12 -7.051 0.409 -4.919
97 HD22 ASN 12 HD22 ASN 12 -7.101 1.575 -3.638
98 H TYR 13 H TYR 13 -7.838 -1.809 -0.414
99 HA TYR 13 HA TYR 13 -5.368 -2.311 0.827
100 HB2 TYR 13 HB2 TYR 13 -6.905 -0.681 1.769
101 HB3 TYR 13 HB3 TYR 13 -8.090 -1.941 2.103
102 HD1 TYR 13 HD2 TYR 13 -4.448 -1.385 2.797
103 HD2 TYR 13 HD1 TYR 13 -8.253 -2.517 4.337
104 HE1 TYR 13 HE2 TYR 13 -3.437 -1.737 5.011
105 HE2 TYR 13 HE1 TYR 13 -7.253 -2.874 6.556
106 HH TYR 13 HH TYR 13 -4.067 -1.833 7.331
107 H GLU 14 H GLU 14 -8.436 -4.123 1.132
108 HA GLU 14 HA GLU 14 -7.258 -6.239 2.625
109 HB2 GLU 14 HB2 GLU 14 -9.338 -7.494 2.011
110 HB3 GLU 14 HB3 GLU 14 -9.629 -5.933 2.767
111 HG2 GLU 14 HG2 GLU 14 -10.189 -4.942 0.676
112 HG3 GLU 14 HG3 GLU 14 -9.683 -6.384 -0.202
113 H GLU 15 H GLU 15 -7.464 -5.470 -0.715
114 HA GLU 15 HA GLU 15 -6.911 -8.029 -1.803
115 HB2 GLU 15 HB2 GLU 15 -7.840 -5.914 -2.952
116 HB3 GLU 15 HB3 GLU 15 -6.167 -5.394 -3.060
117 HG2 GLU 15 HG2 GLU 15 -5.626 -6.987 -4.620
118 HG3 GLU 15 HG3 GLU 15 -6.922 -8.074 -4.117
119 H LEU 16 H LEU 16 -4.951 -5.428 -0.506
120 HA LEU 16 HA LEU 16 -2.465 -6.699 -1.331
121 HB2 LEU 16 HB2 LEU 16 -2.704 -4.199 -1.291
122 HB3 LEU 16 HB3 LEU 16 -2.895 -4.293 0.447
123 HG LEU 16 HG LEU 16 -0.625 -5.308 0.605
124 HD11 LEU 16 HD11 LEU 16 -0.414 -6.226 -1.610
125 HD12 LEU 16 HD12 LEU 16 0.879 -5.057 -1.337
126 HD13 LEU 16 HD13 LEU 16 -0.513 -4.617 -2.327
127 HD21 LEU 16 HD21 LEU 16 -0.994 -2.929 1.006
128 HD22 LEU 16 HD22 LEU 16 -0.737 -2.601 -0.709
129 HD23 LEU 16 HD23 LEU 16 0.584 -3.230 0.276
130 H LYS 17 H LYS 17 -4.394 -6.081 1.510
131 HA LYS 17 HA LYS 17 -2.712 -6.830 3.556
132 HB2 LYS 17 HB2 LYS 17 -5.006 -5.827 3.718
133 HB3 LYS 17 HB3 LYS 17 -5.669 -7.421 3.408
134 HG2 LYS 17 HG2 LYS 17 -4.579 -8.257 5.424
135 HG3 LYS 17 HG3 LYS 17 -3.954 -6.640 5.742
136 HD2 LYS 17 HD2 LYS 17 -6.333 -5.832 5.747
137 HD3 LYS 17 HD3 LYS 17 -6.832 -7.523 5.693
138 HE2 LYS 17 HE2 LYS 17 -5.157 -6.229 7.840
139 HE3 LYS 17 HE3 LYS 17 -6.858 -6.663 7.977
140 HZ1 LYS 17 HZ1 LYS 17 -6.270 -8.983 7.722
141 HZ2 LYS 17 HZ2 LYS 17 -5.407 -8.302 9.013
142 HZ3 LYS 17 HZ3 LYS 17 -4.629 -8.582 7.535
143 H SER 18 H SER 18 -4.996 -8.884 1.793
144 HA SER 18 HA SER 18 -4.403 -11.286 3.107
145 HB2 SER 18 HB2 SER 18 -5.380 -12.324 0.971
146 HB3 SER 18 HB3 SER 18 -6.413 -11.204 1.859
147 HG SER 18 HG SER 18 -6.258 -9.771 0.290
148 H PHE 19 H PHE 19 -2.847 -9.692 0.397
149 HA PHE 19 HA PHE 19 -1.313 -11.984 -0.391
150 HB2 PHE 19 HB2 PHE 19 -1.983 -9.931 -1.818
151 HB3 PHE 19 HB3 PHE 19 -0.602 -9.140 -1.066
152 HD1 PHE 19 HD1 PHE 19 1.683 -10.003 -1.468
153 HD2 PHE 19 HD2 PHE 19 -1.711 -11.555 -3.511
154 HE1 PHE 19 HE1 PHE 19 3.163 -11.015 -3.150
155 HE2 PHE 19 HE2 PHE 19 -0.236 -12.575 -5.197
156 HZ PHE 19 HZ PHE 19 2.207 -12.305 -5.017
157 H VAL 20 H VAL 20 -0.571 -8.960 1.330
158 HA VAL 20 HA VAL 20 2.128 -9.561 1.879
159 HB VAL 20 HB VAL 20 0.195 -7.712 3.282
160 HG11 VAL 20 HG11 VAL 20 2.148 -6.713 4.384
161 HG12 VAL 20 HG12 VAL 20 3.176 -7.972 3.701
162 HG13 VAL 20 HG13 VAL 20 1.927 -8.391 4.874
163 HG21 VAL 20 HG21 VAL 20 1.499 -5.974 2.137
164 HG22 VAL 20 HG22 VAL 20 0.753 -7.097 0.997
165 HG23 VAL 20 HG23 VAL 20 2.472 -7.229 1.372
166 H ARG 21 H ARG 21 -0.849 -10.268 3.586
167 HA ARG 21 HA ARG 21 0.099 -11.165 6.026
168 HB2 ARG 21 HB2 ARG 21 -2.292 -10.921 5.363
169 HB3 ARG 21 HB3 ARG 21 -2.143 -12.388 4.408
170 HG2 ARG 21 HG2 ARG 21 -1.536 -13.589 6.528
171 HG3 ARG 21 HG3 ARG 21 -1.970 -12.112 7.398
172 HD2 ARG 21 HD2 ARG 21 -4.194 -12.247 6.179
173 HD3 ARG 21 HD3 ARG 21 -3.729 -13.883 5.721
174 HE ARG 21 HE ARG 21 -3.743 -13.158 8.566
175 HH11 ARG 21 HH11 ARG 21 -5.072 -15.018 5.900
176 HH12 ARG 21 HH12 ARG 21 -6.084 -15.995 6.923
177 HH21 ARG 21 HH21 ARG 21 -5.083 -14.432 9.905
178 HH22 ARG 21 HH22 ARG 21 -6.062 -15.686 9.205
179 H LYS 22 H LYS 22 0.294 -12.652 2.904
180 HA LYS 22 HA LYS 22 0.904 -15.269 4.023
181 HB2 LYS 22 HB2 LYS 22 -0.656 -15.034 2.092
182 HB3 LYS 22 HB3 LYS 22 0.696 -14.464 1.122
183 HG2 LYS 22 HG2 LYS 22 1.848 -16.620 1.563
184 HG3 LYS 22 HG3 LYS 22 0.388 -17.181 2.379
185 HD2 LYS 22 HD2 LYS 22 -0.887 -16.834 0.305
186 HD3 LYS 22 HD3 LYS 22 0.595 -16.316 -0.504
187 HE2 LYS 22 HE2 LYS 22 1.584 -18.541 0.065
188 HE3 LYS 22 HE3 LYS 22 -0.002 -19.034 0.652
189 HZ1 LYS 22 HZ1 LYS 22 0.785 -18.349 -2.115
190 HZ2 LYS 22 HZ2 LYS 22 -0.837 -18.425 -1.634
191 HZ3 LYS 22 HZ3 LYS 22 0.138 -19.807 -1.536
192 H TYR 23 H TYR 23 2.456 -12.963 1.739
193 HA TYR 23 HA TYR 23 4.895 -14.603 1.968
194 HB2 TYR 23 HB2 TYR 23 4.180 -12.515 -0.103
195 HB3 TYR 23 HB3 TYR 23 5.637 -13.494 -0.097
196 HD1 TYR 23 HD1 TYR 23 5.232 -16.093 -0.138
197 HD2 TYR 23 HD2 TYR 23 2.384 -13.187 -1.375
198 HE1 TYR 23 HE1 TYR 23 4.111 -17.788 -1.521
199 HE2 TYR 23 HE2 TYR 23 1.247 -14.876 -2.752
200 HH TYR 23 HH TYR 23 1.849 -17.031 -3.889
201 H ARG 24 H ARG 24 3.552 -11.529 2.672
202 HA ARG 24 HA ARG 24 4.331 -9.491 3.200
203 HB2 ARG 24 HB2 ARG 24 6.398 -11.253 4.393
204 HB3 ARG 24 HB3 ARG 24 6.814 -9.552 4.206
205 HG2 ARG 24 HG2 ARG 24 5.894 -9.661 6.333
206 HG3 ARG 24 HG3 ARG 24 4.561 -9.084 5.330
207 HD2 ARG 24 HD2 ARG 24 3.442 -10.697 6.422
208 HD3 ARG 24 HD3 ARG 24 4.123 -11.697 5.140
209 HE ARG 24 HE ARG 24 6.015 -11.761 7.108
210 HH11 ARG 24 HH11 ARG 24 2.619 -12.590 6.922
211 HH12 ARG 24 HH12 ARG 24 2.690 -13.695 8.252
212 HH21 ARG 24 HH21 ARG 24 6.123 -13.217 8.830
213 HH22 ARG 24 HH22 ARG 24 4.691 -14.065 9.344
214 H ARG 25 H ARG 25 4.493 -8.353 1.489
215 HA ARG 25 HA ARG 25 5.446 -7.088 -0.160
216 HB2 ARG 25 HB2 ARG 25 7.879 -8.496 0.806
217 HB3 ARG 25 HB3 ARG 25 7.933 -7.797 -0.800
218 HG2 ARG 25 HG2 ARG 25 7.052 -6.166 1.542
219 HG3 ARG 25 HG3 ARG 25 8.764 -6.409 1.193
220 HD2 ARG 25 HD2 ARG 25 8.345 -5.563 -1.112
221 HD3 ARG 25 HD3 ARG 25 6.692 -5.189 -0.626
222 HE ARG 25 HE ARG 25 7.850 -3.762 1.157
223 HH11 ARG 25 HH11 ARG 25 9.152 -4.322 -2.054
224 HH12 ARG 25 HH12 ARG 25 9.997 -2.812 -2.106
225 HH21 ARG 25 HH21 ARG 25 8.962 -1.795 1.093
226 HH22 ARG 25 HH22 ARG 25 9.895 -1.365 -0.303
227 H PHE 26 H PHE 26 5.817 -7.242 -2.356
228 HA PHE 26 HA PHE 26 5.791 -9.917 -3.532
229 HB2 PHE 26 HB2 PHE 26 4.160 -9.108 -5.255
230 HB3 PHE 26 HB3 PHE 26 3.484 -9.247 -3.636
231 HD1 PHE 26 HD1 PHE 26 3.467 -7.040 -2.232
232 HD2 PHE 26 HD2 PHE 26 3.797 -7.193 -6.469
233 HE1 PHE 26 HE1 PHE 26 2.653 -4.723 -2.374
234 HE2 PHE 26 HE2 PHE 26 2.987 -4.874 -6.620
235 HZ PHE 26 HZ PHE 26 2.412 -3.638 -4.569
236 HA PRO 27 HA PRO 27 9.196 -7.425 -5.273
237 HB2 PRO 27 HB2 PRO 27 10.326 -10.085 -5.805
238 HB3 PRO 27 HB3 PRO 27 11.011 -8.736 -4.894
239 HG2 PRO 27 HG2 PRO 27 10.145 -10.965 -3.669
240 HG3 PRO 27 HG3 PRO 27 9.982 -9.361 -2.929
241 HD2 PRO 27 HD2 PRO 27 7.918 -11.011 -4.346
242 HD3 PRO 27 HD3 PRO 27 7.769 -10.050 -2.857
243 H LYS 28 H LYS 28 7.316 -7.166 -6.869
244 HA LYS 28 HA LYS 28 6.650 -7.043 -9.035
245 HB2 LYS 28 HB2 LYS 28 9.346 -8.307 -9.592
246 HB3 LYS 28 HB3 LYS 28 8.323 -7.506 -10.779
247 HG2 LYS 28 HG2 LYS 28 8.683 -5.396 -9.849
248 HG3 LYS 28 HG3 LYS 28 9.279 -6.066 -8.329
249 HD2 LYS 28 HD2 LYS 28 11.232 -6.979 -9.611
250 HD3 LYS 28 HD3 LYS 28 10.656 -6.071 -11.008
251 HE2 LYS 28 HE2 LYS 28 11.240 -4.788 -8.354
252 HE3 LYS 28 HE3 LYS 28 12.460 -4.971 -9.611
253 HZ1 LYS 28 HZ1 LYS 28 11.264 -2.785 -9.544
254 HZ2 LYS 28 HZ2 LYS 28 9.874 -3.597 -10.085
255 HZ3 LYS 28 HZ3 LYS 28 11.267 -3.566 -11.049
256 H SER 29 H SER 29 5.820 -9.198 -7.475
257 HA SER 29 HA SER 29 6.094 -11.734 -8.543
258 HB2 SER 29 HB2 SER 29 3.630 -10.646 -7.188
259 HB3 SER 29 HB3 SER 29 4.153 -12.329 -7.255
260 HG SER 29 HG SER 29 5.638 -11.960 -5.773
261 H THR 30 H THR 30 3.020 -9.971 -8.823
262 HA THR 30 HA THR 30 2.770 -11.025 -11.560
263 HB THR 30 HB THR 30 0.281 -10.604 -11.186
264 HG1 THR 30 HG1 THR 30 -0.069 -10.822 -8.726
265 HG21 THR 30 HG21 THR 30 1.661 -12.672 -9.469
266 HG22 THR 30 HG22 THR 30 1.238 -12.851 -11.171
267 HG23 THR 30 HG23 THR 30 -0.034 -12.709 -9.959
268 H GLU 31 H GLU 31 2.418 -8.230 -9.494
269 HA GLU 31 HA GLU 31 2.254 -6.012 -9.854
270 HB2 GLU 31 HB2 GLU 31 3.635 -6.848 -12.391
271 HB3 GLU 31 HB3 GLU 31 3.310 -5.164 -12.001
272 HG2 GLU 31 HG2 GLU 31 4.595 -5.460 -9.902
273 HG3 GLU 31 HG3 GLU 31 5.010 -7.091 -10.436
274 H GLY 32 H GLY 32 -0.030 -7.653 -10.584
275 HA2 GLY 32 HA2 GLY 32 -1.242 -6.310 -12.836
276 HA3 GLY 32 HA3 GLY 32 -2.035 -7.426 -11.731
277 H ASN 33 H ASN 33 -3.327 -6.647 -10.218
278 HA ASN 33 HA ASN 33 -4.084 -3.939 -10.111
279 HB2 ASN 33 HB2 ASN 33 -4.530 -6.278 -8.268
280 HB3 ASN 33 HB3 ASN 33 -5.154 -4.678 -7.888
281 HD21 ASN 33 HD21 ASN 33 -7.214 -5.638 -7.922
282 HD22 ASN 33 HD22 ASN 33 -8.033 -5.907 -9.433
283 H LEU 34 H LEU 34 -2.264 -5.898 -7.784
284 HA LEU 34 HA LEU 34 -1.781 -3.679 -6.052
285 HB2 LEU 34 HB2 LEU 34 -0.589 -6.442 -6.118
286 HB3 LEU 34 HB3 LEU 34 -0.358 -5.278 -4.831
287 HG LEU 34 HG LEU 34 -2.997 -6.493 -5.642
288 HD11 LEU 34 HD11 LEU 34 -1.564 -8.116 -4.557
289 HD12 LEU 34 HD12 LEU 34 -2.878 -7.638 -3.482
290 HD13 LEU 34 HD13 LEU 34 -1.259 -6.990 -3.235
291 HD21 LEU 34 HD21 LEU 34 -3.283 -4.239 -4.794
292 HD22 LEU 34 HD22 LEU 34 -2.302 -4.625 -3.380
293 HD23 LEU 34 HD23 LEU 34 -3.862 -5.414 -3.613
294 H GLY 35 H GLY 35 0.004 -5.305 -8.578
295 HA2 GLY 35 HA2 GLY 35 2.543 -4.197 -8.093
296 HA3 GLY 35 HA3 GLY 35 1.949 -4.726 -9.664
297 H GLY 36 H GLY 36 -0.205 -3.031 -9.991
298 HA2 GLY 36 HA2 GLY 36 1.101 -0.627 -10.842
299 HA3 GLY 36 HA3 GLY 36 -0.623 -0.960 -10.935
300 H TRP 37 H TRP 37 -0.857 -1.578 -8.118
301 HA TRP 37 HA TRP 37 -1.368 0.966 -7.033
302 HB2 TRP 37 HB2 TRP 37 -2.293 -1.397 -6.388
303 HB3 TRP 37 HB3 TRP 37 -0.900 -1.451 -5.313
304 HD1 TRP 37 HD1 TRP 37 -3.778 1.036 -6.049
305 HE1 TRP 37 HE1 TRP 37 -4.544 2.036 -3.815
306 HE3 TRP 37 HE3 TRP 37 -0.472 -1.300 -2.936
307 HZ2 TRP 37 HZ2 TRP 37 -3.844 1.871 -1.088
308 HZ3 TRP 37 HZ3 TRP 37 -0.584 -0.818 -0.526
309 HH2 TRP 37 HH2 TRP 37 -2.235 0.734 0.375
310 H CYS 38 H CYS 38 1.249 -1.376 -6.471
311 HA CYS 38 HA CYS 38 2.737 0.159 -4.662
312 HB2 CYS 38 HB2 CYS 38 3.156 -2.234 -5.115
313 HB3 CYS 38 HB3 CYS 38 3.757 -1.820 -6.716
314 HG CYS 38 HG CYS 38 5.209 -0.841 -3.775
315 H HIS 39 H HIS 39 2.882 -0.012 -8.212
316 HA HIS 39 HA HIS 39 4.999 1.787 -8.555
317 HB2 HIS 39 HB2 HIS 39 2.737 0.980 -10.368
318 HB3 HIS 39 HB3 HIS 39 3.961 2.137 -10.874
319 HD1 HIS 39 HD1 HIS 39 6.559 1.010 -10.265
320 HD2 HIS 39 HD2 HIS 39 3.376 -1.471 -11.277
321 HE1 HIS 39 HE1 HIS 39 7.586 -1.167 -10.971
322 HE2 HIS 39 HE2 HIS 39 5.650 -2.700 -11.454
323 H THR 40 H THR 40 1.558 2.397 -8.032
324 HA THR 40 HA THR 40 1.704 5.118 -8.858
325 HB THR 40 HB THR 40 -0.433 3.636 -8.594
326 HG1 THR 40 HG1 THR 40 -1.649 5.635 -8.192
327 HG21 THR 40 HG21 THR 40 -0.268 4.862 -5.841
328 HG22 THR 40 HG22 THR 40 -0.247 3.139 -6.220
329 HG23 THR 40 HG23 THR 40 -1.696 4.094 -6.534
330 H GLN 41 H GLN 41 2.043 3.469 -5.739
331 HA GLN 41 HA GLN 41 2.288 5.894 -4.241
332 HB2 GLN 41 HB2 GLN 41 2.684 2.994 -3.658
333 HB3 GLN 41 HB3 GLN 41 3.388 4.179 -2.560
334 HG2 GLN 41 HG2 GLN 41 1.425 4.614 -1.638
335 HG3 GLN 41 HG3 GLN 41 0.664 4.849 -3.209
336 HE21 GLN 41 HE21 GLN 41 -0.375 3.160 -4.193
337 HE22 GLN 41 HE22 GLN 41 -0.778 1.701 -3.367
338 H ARG 42 H ARG 42 4.466 3.794 -5.941
339 HA ARG 42 HA ARG 42 6.935 4.746 -5.113
340 HB2 ARG 42 HB2 ARG 42 6.601 2.907 -6.726
341 HB3 ARG 42 HB3 ARG 42 6.034 4.064 -7.920
342 HG2 ARG 42 HG2 ARG 42 8.302 3.448 -8.406
343 HG3 ARG 42 HG3 ARG 42 8.255 5.135 -7.887
344 HD2 ARG 42 HD2 ARG 42 9.207 4.656 -5.827
345 HD3 ARG 42 HD3 ARG 42 8.782 2.948 -5.914
346 HE ARG 42 HE ARG 42 10.550 3.516 -8.004
347 HH11 ARG 42 HH11 ARG 42 10.546 3.456 -4.511
348 HH12 ARG 42 HH12 ARG 42 12.214 2.975 -4.382
349 HH21 ARG 42 HH21 ARG 42 12.737 2.824 -7.845
350 HH22 ARG 42 HH22 ARG 42 13.427 2.541 -6.266
351 H LYS 43 H LYS 43 4.679 6.040 -7.492
352 HA LYS 43 HA LYS 43 6.197 8.363 -8.134
353 HB2 LYS 43 HB2 LYS 43 3.221 7.909 -8.394
354 HB3 LYS 43 HB3 LYS 43 4.163 9.134 -9.228
355 HG2 LYS 43 HG2 LYS 43 5.135 7.594 -10.658
356 HG3 LYS 43 HG3 LYS 43 4.771 6.231 -9.592
357 HD2 LYS 43 HD2 LYS 43 3.311 6.317 -11.582
358 HD3 LYS 43 HD3 LYS 43 2.421 6.421 -10.068
359 HE2 LYS 43 HE2 LYS 43 1.472 8.033 -11.518
360 HE3 LYS 43 HE3 LYS 43 2.446 8.920 -10.353
361 HZ1 LYS 43 HZ1 LYS 43 2.790 9.770 -12.574
362 HZ2 LYS 43 HZ2 LYS 43 3.256 8.235 -13.128
363 HZ3 LYS 43 HZ3 LYS 43 4.219 9.057 -12.003
364 H MET 44 H MET 44 3.245 7.855 -6.211
365 HA MET 44 HA MET 44 2.802 10.497 -5.493
366 HB2 MET 44 HB2 MET 44 2.152 8.086 -3.788
367 HB3 MET 44 HB3 MET 44 1.380 9.658 -3.710
368 HG2 MET 44 HG2 MET 44 1.232 7.737 -6.023
369 HG3 MET 44 HG3 MET 44 -0.017 7.989 -4.811
370 HE1 MET 44 HE1 MET 44 1.279 8.904 -8.235
371 HE2 MET 44 HE2 MET 44 2.209 10.123 -7.362
372 HE3 MET 44 HE3 MET 44 0.910 10.618 -8.447
373 H ARG 45 H ARG 45 4.924 8.127 -3.940
374 HA ARG 45 HA ARG 45 5.458 9.783 -1.668
375 HB2 ARG 45 HB2 ARG 45 5.798 7.416 -1.432
376 HB3 ARG 45 HB3 ARG 45 6.908 7.386 -2.794
377 HG2 ARG 45 HG2 ARG 45 8.052 7.223 -0.623
378 HG3 ARG 45 HG3 ARG 45 8.548 8.636 -1.556
379 HD2 ARG 45 HD2 ARG 45 6.891 9.972 -0.218
380 HD3 ARG 45 HD3 ARG 45 6.682 8.550 0.807
381 HE ARG 45 HE ARG 45 9.311 8.835 0.937
382 HH11 ARG 45 HH11 ARG 45 6.793 11.279 1.152
383 HH12 ARG 45 HH12 ARG 45 7.749 12.347 2.133
384 HH21 ARG 45 HH21 ARG 45 10.556 10.239 2.233
385 HH22 ARG 45 HH22 ARG 45 9.885 11.747 2.765
386 H LYS 46 H LYS 46 7.201 9.046 -4.663
387 HA LYS 46 HA LYS 46 9.420 10.715 -4.145
388 HB2 LYS 46 HB2 LYS 46 9.397 8.863 -5.792
389 HB3 LYS 46 HB3 LYS 46 8.294 9.784 -6.797
390 HG2 LYS 46 HG2 LYS 46 10.848 11.090 -6.091
391 HG3 LYS 46 HG3 LYS 46 10.928 9.714 -7.191
392 HD2 LYS 46 HD2 LYS 46 9.216 12.173 -7.559
393 HD3 LYS 46 HD3 LYS 46 10.724 11.831 -8.406
394 HE2 LYS 46 HE2 LYS 46 8.277 10.078 -8.525
395 HE3 LYS 46 HE3 LYS 46 8.663 11.319 -9.715
396 HZ1 LYS 46 HZ1 LYS 46 10.636 10.154 -10.323
397 HZ2 LYS 46 HZ2 LYS 46 9.348 9.050 -10.364
398 HZ3 LYS 46 HZ3 LYS 46 10.446 9.029 -9.068
399 H GLN 47 H GLN 47 6.261 11.278 -5.507
400 HA GLN 47 HA GLN 47 6.804 13.968 -6.371
401 HB2 GLN 47 HB2 GLN 47 4.273 12.360 -6.025
402 HB3 GLN 47 HB3 GLN 47 4.259 14.033 -6.553
403 HG2 GLN 47 HG2 GLN 47 5.573 13.467 -8.503
404 HG3 GLN 47 HG3 GLN 47 5.706 11.799 -7.953
405 HE21 GLN 47 HE21 GLN 47 2.776 13.674 -7.641
406 HE22 GLN 47 HE22 GLN 47 1.865 12.789 -8.814
407 H GLY 48 H GLY 48 5.940 12.419 -3.437
408 HA2 GLY 48 HA2 GLY 48 5.971 13.286 -1.305
409 HA3 GLY 48 HA3 GLY 48 6.266 14.874 -1.995
410 H LYS 49 H LYS 49 3.554 12.584 -2.367
411 HA LYS 49 HA LYS 49 1.855 14.472 -0.932
412 HB2 LYS 49 HB2 LYS 49 0.111 14.279 -2.730
413 HB3 LYS 49 HB3 LYS 49 1.512 15.258 -3.108
414 HG2 LYS 49 HG2 LYS 49 1.109 14.069 -5.059
415 HG3 LYS 49 HG3 LYS 49 2.418 13.179 -4.282
416 HD2 LYS 49 HD2 LYS 49 0.799 11.618 -5.122
417 HD3 LYS 49 HD3 LYS 49 0.738 11.609 -3.360
418 HE2 LYS 49 HE2 LYS 49 -1.501 11.568 -4.222
419 HE3 LYS 49 HE3 LYS 49 -1.210 13.131 -3.468
420 HZ1 LYS 49 HZ1 LYS 49 -2.392 13.160 -5.670
421 HZ2 LYS 49 HZ2 LYS 49 -0.929 12.694 -6.389
422 HZ3 LYS 49 HZ3 LYS 49 -1.034 14.171 -5.559
423 H LEU 50 H LEU 50 2.917 11.543 -0.975
424 HA LEU 50 HA LEU 50 0.569 9.932 -0.808
425 HB2 LEU 50 HB2 LEU 50 3.440 9.603 -0.309
426 HB3 LEU 50 HB3 LEU 50 2.444 8.673 0.790
427 HG LEU 50 HG LEU 50 2.524 8.483 -2.214
428 HD11 LEU 50 HD11 LEU 50 4.356 7.377 -1.088
429 HD12 LEU 50 HD12 LEU 50 3.238 6.179 -1.740
430 HD13 LEU 50 HD13 LEU 50 3.230 6.548 -0.014
431 HD21 LEU 50 HD21 LEU 50 0.219 8.238 -1.477
432 HD22 LEU 50 HD22 LEU 50 0.718 7.049 -0.273
433 HD23 LEU 50 HD23 LEU 50 0.878 6.686 -1.991
434 HA PRO 51 HA PRO 51 -0.700 11.157 3.288
435 HB2 PRO 51 HB2 PRO 51 -2.588 9.301 3.726
436 HB3 PRO 51 HB3 PRO 51 -2.810 10.599 2.546
437 HG2 PRO 51 HG2 PRO 51 -2.036 7.747 2.101
438 HG3 PRO 51 HG3 PRO 51 -3.164 8.757 1.179
439 HD2 PRO 51 HD2 PRO 51 -0.581 8.264 0.409
440 HD3 PRO 51 HD3 PRO 51 -1.489 9.716 -0.046
441 H ASN 52 H ASN 52 -0.280 10.692 5.338
442 HA ASN 52 HA ASN 52 1.649 8.761 6.006
443 HB2 ASN 52 HB2 ASN 52 1.325 10.933 7.161
444 HB3 ASN 52 HB3 ASN 52 -0.178 10.322 7.842
445 HD21 ASN 52 HD21 ASN 52 3.269 10.116 7.866
446 HD22 ASN 52 HD22 ASN 52 3.412 9.260 9.356
447 H ASP 53 H ASP 53 -1.849 8.890 6.598
448 HA ASP 53 HA ASP 53 -2.102 6.772 8.367
449 HB2 ASP 53 HB2 ASP 53 -4.052 7.602 6.212
450 HB3 ASP 53 HB3 ASP 53 -4.442 6.610 7.611
451 H ARG 54 H ARG 54 -2.436 6.680 4.838
452 HA ARG 54 HA ARG 54 -2.948 3.961 4.535
453 HB2 ARG 54 HB2 ARG 54 -3.063 5.799 2.781
454 HB3 ARG 54 HB3 ARG 54 -1.322 5.620 2.613
455 HG2 ARG 54 HG2 ARG 54 -2.128 3.051 2.332
456 HG3 ARG 54 HG3 ARG 54 -3.497 3.921 1.631
457 HD2 ARG 54 HD2 ARG 54 -2.132 3.691 -0.204
458 HD3 ARG 54 HD3 ARG 54 -1.627 5.268 0.394
459 HE ARG 54 HE ARG 54 -0.111 2.784 0.461
460 HH11 ARG 54 HH11 ARG 54 -0.301 6.139 1.476
461 HH12 ARG 54 HH12 ARG 54 1.403 6.275 1.758
462 HH21 ARG 54 HH21 ARG 54 2.118 2.975 0.829
463 HH22 ARG 54 HH22 ARG 54 2.786 4.478 1.395
464 H ARG 55 H ARG 55 0.104 5.709 4.490
465 HA ARG 55 HA ARG 55 1.885 3.647 3.992
466 HB2 ARG 55 HB2 ARG 55 2.286 6.168 4.173
467 HB3 ARG 55 HB3 ARG 55 2.386 5.931 5.907
468 HG2 ARG 55 HG2 ARG 55 4.184 4.529 3.945
469 HG3 ARG 55 HG3 ARG 55 4.568 6.084 4.679
470 HD2 ARG 55 HD2 ARG 55 3.950 4.603 6.869
471 HD3 ARG 55 HD3 ARG 55 4.645 3.377 5.810
472 HE ARG 55 HE ARG 55 6.324 5.629 5.823
473 HH11 ARG 55 HH11 ARG 55 5.348 2.941 7.853
474 HH12 ARG 55 HH12 ARG 55 6.757 3.047 8.864
475 HH21 ARG 55 HH21 ARG 55 8.176 5.762 7.172
476 HH22 ARG 55 HH22 ARG 55 8.338 4.647 8.501
477 H LEU 56 H LEU 56 0.653 4.838 7.116
478 HA LEU 56 HA LEU 56 2.134 3.002 8.688
479 HB2 LEU 56 HB2 LEU 56 1.130 5.197 9.441
480 HB3 LEU 56 HB3 LEU 56 -0.422 4.383 9.487
481 HG LEU 56 HG LEU 56 0.448 2.825 11.185
482 HD11 LEU 56 HD11 LEU 56 2.805 2.876 10.538
483 HD12 LEU 56 HD12 LEU 56 2.598 3.256 12.248
484 HD13 LEU 56 HD13 LEU 56 2.922 4.547 11.091
485 HD21 LEU 56 HD21 LEU 56 -0.707 4.874 11.867
486 HD22 LEU 56 HD22 LEU 56 0.835 5.731 11.893
487 HD23 LEU 56 HD23 LEU 56 0.539 4.413 13.027
488 H LEU 57 H LEU 57 -1.065 2.882 7.241
489 HA LEU 57 HA LEU 57 -2.072 0.696 8.696
490 HB2 LEU 57 HB2 LEU 57 -2.708 1.538 5.866
491 HB3 LEU 57 HB3 LEU 57 -3.650 0.407 6.819
492 HG LEU 57 HG LEU 57 -3.276 3.352 7.376
493 HD11 LEU 57 HD11 LEU 57 -5.671 3.485 6.946
494 HD12 LEU 57 HD12 LEU 57 -5.709 1.760 6.583
495 HD13 LEU 57 HD13 LEU 57 -4.806 2.860 5.541
496 HD21 LEU 57 HD21 LEU 57 -3.353 2.153 9.472
497 HD22 LEU 57 HD22 LEU 57 -4.777 1.258 8.943
498 HD23 LEU 57 HD23 LEU 57 -4.881 2.998 9.212
499 H LEU 58 H LEU 58 0.043 0.879 5.915
500 HA LEU 58 HA LEU 58 -0.087 -1.895 5.264
501 HB2 LEU 58 HB2 LEU 58 2.073 0.117 4.628
502 HB3 LEU 58 HB3 LEU 58 1.880 -1.456 3.875
503 HG LEU 58 HG LEU 58 0.015 0.907 3.634
504 HD11 LEU 58 HD11 LEU 58 2.029 1.077 2.292
505 HD12 LEU 58 HD12 LEU 58 0.621 0.797 1.271
506 HD13 LEU 58 HD13 LEU 58 1.733 -0.526 1.618
507 HD21 LEU 58 HD21 LEU 58 -0.268 -1.861 2.465
508 HD22 LEU 58 HD22 LEU 58 -1.317 -0.480 2.142
509 HD23 LEU 58 HD23 LEU 58 -1.258 -1.182 3.757
510 H ASP 59 H ASP 59 2.010 0.073 7.291
511 HA ASP 59 HA ASP 59 3.869 -1.887 8.028
512 HB2 ASP 59 HB2 ASP 59 2.807 0.546 9.457
513 HB3 ASP 59 HB3 ASP 59 4.000 -0.507 10.206
514 H LYS 60 H LYS 60 0.611 -1.245 9.136
515 HA LYS 60 HA LYS 60 0.702 -2.870 11.445
516 HB2 LYS 60 HB2 LYS 60 -1.361 -1.430 9.904
517 HB3 LYS 60 HB3 LYS 60 -1.928 -2.800 10.839
518 HG2 LYS 60 HG2 LYS 60 -2.141 -0.748 12.110
519 HG3 LYS 60 HG3 LYS 60 -0.964 -1.821 12.866
520 HD2 LYS 60 HD2 LYS 60 0.855 -0.531 11.836
521 HD3 LYS 60 HD3 LYS 60 -0.334 0.548 11.105
522 HE2 LYS 60 HE2 LYS 60 0.589 1.554 13.109
523 HE3 LYS 60 HE3 LYS 60 -1.119 1.183 13.342
524 HZ1 LYS 60 HZ1 LYS 60 1.140 -0.496 14.302
525 HZ2 LYS 60 HZ2 LYS 60 -0.509 -0.785 14.576
526 HZ3 LYS 60 HZ3 LYS 60 0.238 0.569 15.267
527 H ILE 61 H ILE 61 -0.024 -3.555 8.060
528 HA ILE 61 HA ILE 61 -0.961 -6.223 8.734
529 HB ILE 61 HB ILE 61 -1.151 -6.590 6.292
530 HG12 ILE 61 HG12 ILE 61 -0.354 -3.685 6.054
531 HG13 ILE 61 HG13 ILE 61 0.678 -5.039 5.615
532 HG21 ILE 61 HG21 ILE 61 -2.483 -4.067 7.258
533 HG22 ILE 61 HG22 ILE 61 -3.017 -5.707 7.619
534 HG23 ILE 61 HG23 ILE 61 -3.050 -5.119 5.956
535 HD11 ILE 61 HD11 ILE 61 -0.387 -4.022 3.675
536 HD12 ILE 61 HD12 ILE 61 -1.974 -4.369 4.365
537 HD13 ILE 61 HD13 ILE 61 -0.908 -5.694 3.895
538 H GLY 62 H GLY 62 1.999 -4.753 8.363
539 HA2 GLY 62 HA2 GLY 62 3.991 -5.966 8.850
540 HA3 GLY 62 HA3 GLY 62 3.261 -7.394 8.133
541 H PHE 63 H PHE 63 2.987 -4.386 6.449
542 HA PHE 63 HA PHE 63 4.602 -5.445 4.293
543 HB2 PHE 63 HB2 PHE 63 2.467 -4.238 3.839
544 HB3 PHE 63 HB3 PHE 63 3.183 -2.777 4.503
545 HD1 PHE 63 HD1 PHE 63 3.432 -5.230 1.757
546 HD2 PHE 63 HD2 PHE 63 4.555 -1.388 3.197
547 HE1 PHE 63 HE1 PHE 63 4.298 -4.654 -0.471
548 HE2 PHE 63 HE2 PHE 63 5.429 -0.807 0.973
549 HZ PHE 63 HZ PHE 63 5.301 -2.441 -0.865
550 H VAL 64 H VAL 64 6.691 -5.332 4.486
551 HA VAL 64 HA VAL 64 7.981 -3.304 6.033
552 HB VAL 64 HB VAL 64 8.746 -5.662 5.936
553 HG11 VAL 64 HG11 VAL 64 10.086 -6.416 4.021
554 HG12 VAL 64 HG12 VAL 64 9.635 -4.954 3.146
555 HG13 VAL 64 HG13 VAL 64 8.399 -6.132 3.587
556 HG21 VAL 64 HG21 VAL 64 10.789 -3.637 5.041
557 HG22 VAL 64 HG22 VAL 64 11.134 -5.167 5.849
558 HG23 VAL 64 HG23 VAL 64 10.248 -3.901 6.700
559 H TRP 65 H TRP 65 9.250 -1.620 5.306
560 HA TRP 65 HA TRP 65 8.838 -0.872 2.505
561 HB2 TRP 65 HB2 TRP 65 9.770 0.759 4.878
562 HB3 TRP 65 HB3 TRP 65 9.556 1.387 3.246
563 HD1 TRP 65 HD1 TRP 65 7.650 0.593 6.395
564 HE1 TRP 65 HE1 TRP 65 5.166 1.208 6.085
565 HE3 TRP 65 HE3 TRP 65 7.673 1.453 1.357
566 HZ2 TRP 65 HZ2 TRP 65 3.453 1.956 3.957
567 HZ3 TRP 65 HZ3 TRP 65 5.572 2.112 0.260
568 HH2 TRP 65 HH2 TRP 65 3.509 2.358 1.538
569 H SER 66 H SER 66 11.332 -1.447 4.898
570 HA SER 66 HA SER 66 13.537 -1.940 4.742
571 HB2 SER 66 HB2 SER 66 12.669 -3.514 2.946
572 HB3 SER 66 HB3 SER 66 13.122 -2.289 1.762
573 HG SER 66 HG SER 66 14.805 -3.733 3.537
574 H LEU 67 H LEU 67 15.449 -1.349 2.782
575 HA LEU 67 HA LEU 67 15.327 1.597 2.770
576 HB2 LEU 67 HB2 LEU 67 17.741 -0.158 3.246
577 HB3 LEU 67 HB3 LEU 67 17.784 1.585 3.085
578 HG LEU 67 HG LEU 67 16.172 1.592 5.117
579 HD11 LEU 67 HD11 LEU 67 17.420 -1.132 5.460
580 HD12 LEU 67 HD12 LEU 67 15.719 -0.822 5.108
581 HD13 LEU 67 HD13 LEU 67 16.415 -0.279 6.634
582 HD21 LEU 67 HD21 LEU 67 19.062 0.794 5.413
583 HD22 LEU 67 HD22 LEU 67 18.072 1.572 6.648
584 HD23 LEU 67 HD23 LEU 67 18.454 2.431 5.156
585 H GLU 68 H GLU 68 16.276 2.670 1.028
586 HA GLU 68 HA GLU 68 17.390 1.162 -1.177
587 HB2 GLU 68 HB2 GLU 68 14.957 0.954 -1.530
588 HB3 GLU 68 HB3 GLU 68 14.801 2.702 -1.480
589 HG2 GLU 68 HG2 GLU 68 16.388 2.749 -3.460
590 HG3 GLU 68 HG3 GLU 68 16.114 1.011 -3.577
591 H HIS 69 H HIS 69 18.321 2.532 -2.804
592 HA HIS 69 HA HIS 69 19.257 4.372 -3.727
593 HB2 HIS 69 HB2 HIS 69 17.152 5.769 -2.085
594 HB3 HIS 69 HB3 HIS 69 18.295 6.653 -3.089
595 HD1 HIS 69 HD1 HIS 69 15.039 6.200 -3.404
596 HD2 HIS 69 HD2 HIS 69 18.141 4.688 -5.730
597 HE1 HIS 69 HE1 HIS 69 14.017 5.671 -5.646
598 HE2 HIS 69 HE2 HIS 69 15.896 4.671 -7.007
599 H HIS 70 H HIS 70 20.065 3.234 -1.041
600 HA HIS 70 HA HIS 70 21.811 5.483 -0.269
601 HB2 HIS 70 HB2 HIS 70 20.869 3.189 1.473
602 HB3 HIS 70 HB3 HIS 70 21.981 4.457 1.966
603 HD1 HIS 70 HD1 HIS 70 19.314 3.885 3.429
604 HD2 HIS 70 HD2 HIS 70 19.846 6.811 0.523
605 HE1 HIS 70 HE1 HIS 70 17.497 5.579 3.834
606 HE2 HIS 70 HE2 HIS 70 17.727 7.248 1.953
607 H HIS 71 H HIS 71 23.971 4.888 0.357
608 HA HIS 71 HA HIS 71 25.049 2.312 0.034
609 HB2 HIS 71 HB2 HIS 71 24.411 2.942 -2.395
610 HB3 HIS 71 HB3 HIS 71 25.746 4.086 -2.306
611 HD1 HIS 71 HD1 HIS 71 27.936 3.193 -3.031
612 HD2 HIS 71 HD2 HIS 71 25.352 0.170 -1.814
613 HE1 HIS 71 HE1 HIS 71 29.148 1.033 -3.495
614 HE2 HIS 71 HE2 HIS 71 27.477 -0.775 -2.946
615 H HIS 72 H HIS 72 25.780 5.703 -0.709
616 HA HIS 72 HA HIS 72 27.253 6.113 1.644
617 HB2 HIS 72 HB2 HIS 72 28.937 4.729 0.346
618 HB3 HIS 72 HB3 HIS 72 29.016 6.055 -0.812
619 HD1 HIS 72 HD1 HIS 72 29.445 5.574 2.938
620 HD2 HIS 72 HD2 HIS 72 30.941 7.876 -0.190
621 HE1 HIS 72 HE1 HIS 72 31.270 6.988 3.943
622 HE2 HIS 72 HE2 HIS 72 32.221 8.308 2.023
623 H HIS 73 H HIS 73 26.793 7.081 -1.731
624 HA HIS 73 HA HIS 73 26.947 9.884 -1.021
625 HB2 HIS 73 HB2 HIS 73 26.439 10.343 -3.371
626 HB3 HIS 73 HB3 HIS 73 27.744 9.175 -3.245
627 HD1 HIS 73 HD1 HIS 73 27.488 7.084 -4.575
628 HD2 HIS 73 HD2 HIS 73 23.874 9.096 -4.103
629 HE1 HIS 73 HE1 HIS 73 25.828 5.863 -6.023
630 HE2 HIS 73 HE2 HIS 73 23.702 7.204 -5.860
631 H HIS 74 H HIS 74 25.079 11.322 -1.701
632 HA HIS 74 HA HIS 74 22.677 10.254 -0.461
633 HB2 HIS 74 HB2 HIS 74 21.915 12.525 -0.282
634 HB3 HIS 74 HB3 HIS 74 23.603 12.488 0.206
635 HD1 HIS 74 HD1 HIS 74 21.279 14.105 -2.099
636 HD2 HIS 74 HD2 HIS 74 25.396 13.590 -1.809
637 HE1 HIS 74 HE1 HIS 74 22.290 15.800 -3.658
638 HE2 HIS 74 HE2 HIS 74 24.767 15.338 -3.610
Start of MODEL 15
1 H1 MET 1 H1 MET 1 -4.819 7.632 -8.934
2 H2 MET 1 H2 MET 1 -4.947 6.510 -7.672
3 H3 MET 1 H3 MET 1 -4.462 8.108 -7.347
4 HA MET 1 HA MET 1 -6.735 7.786 -6.692
5 HB2 MET 1 HB2 MET 1 -7.743 9.633 -7.922
6 HB3 MET 1 HB3 MET 1 -6.059 9.992 -7.579
7 HG2 MET 1 HG2 MET 1 -7.113 8.997 -10.222
8 HG3 MET 1 HG3 MET 1 -6.751 10.678 -9.839
9 HE1 MET 1 HE1 MET 1 -5.221 10.765 -12.030
10 HE2 MET 1 HE2 MET 1 -5.544 9.064 -12.364
11 HE3 MET 1 HE3 MET 1 -3.884 9.655 -12.334
12 H ASN 2 H ASN 2 -8.686 6.863 -7.019
13 HA ASN 2 HA ASN 2 -9.223 5.676 -9.655
14 HB2 ASN 2 HB2 ASN 2 -9.328 4.371 -6.956
15 HB3 ASN 2 HB3 ASN 2 -10.440 3.847 -8.217
16 HD21 ASN 2 HD21 ASN 2 -8.267 2.371 -6.936
17 HD22 ASN 2 HD22 ASN 2 -7.220 1.890 -8.223
18 H GLN 3 H GLN 3 -10.944 6.666 -10.456
19 HA GLN 3 HA GLN 3 -13.073 7.451 -8.584
20 HB2 GLN 3 HB2 GLN 3 -12.191 8.810 -11.132
21 HB3 GLN 3 HB3 GLN 3 -13.630 9.253 -10.219
22 HG2 GLN 3 HG2 GLN 3 -12.128 9.640 -8.244
23 HG3 GLN 3 HG3 GLN 3 -10.763 9.436 -9.338
24 HE21 GLN 3 HE21 GLN 3 -13.448 11.445 -8.439
25 HE22 GLN 3 HE22 GLN 3 -12.936 12.858 -9.306
26 H ASN 4 H ASN 4 -12.463 5.064 -10.512
27 HA ASN 4 HA ASN 4 -15.098 4.993 -11.797
28 HB2 ASN 4 HB2 ASN 4 -12.807 3.012 -11.947
29 HB3 ASN 4 HB3 ASN 4 -14.315 2.903 -12.854
30 HD21 ASN 4 HD21 ASN 4 -11.266 4.495 -12.543
31 HD22 ASN 4 HD22 ASN 4 -11.324 5.357 -14.049
32 H LEU 5 H LEU 5 -13.344 3.946 -9.097
33 HA LEU 5 HA LEU 5 -15.708 2.549 -8.070
34 HB2 LEU 5 HB2 LEU 5 -12.833 1.677 -7.726
35 HB3 LEU 5 HB3 LEU 5 -14.185 1.009 -6.835
36 HG LEU 5 HG LEU 5 -13.871 0.848 -9.831
37 HD11 LEU 5 HD11 LEU 5 -12.141 -0.431 -8.691
38 HD12 LEU 5 HD12 LEU 5 -13.324 -1.503 -9.442
39 HD13 LEU 5 HD13 LEU 5 -13.367 -1.224 -7.701
40 HD21 LEU 5 HD21 LEU 5 -16.192 0.783 -9.086
41 HD22 LEU 5 HD22 LEU 5 -15.796 -0.499 -7.942
42 HD23 LEU 5 HD23 LEU 5 -15.676 -0.796 -9.676
43 H GLN 6 H GLN 6 -16.370 3.454 -6.205
44 HA GLN 6 HA GLN 6 -14.886 5.664 -5.147
45 HB2 GLN 6 HB2 GLN 6 -17.450 5.393 -5.317
46 HB3 GLN 6 HB3 GLN 6 -17.312 4.431 -3.853
47 HG2 GLN 6 HG2 GLN 6 -16.028 7.092 -3.832
48 HG3 GLN 6 HG3 GLN 6 -17.787 7.054 -3.851
49 HE21 GLN 6 HE21 GLN 6 -17.890 7.952 -1.798
50 HE22 GLN 6 HE22 GLN 6 -17.497 7.054 -0.369
51 H GLY 7 H GLY 7 -15.849 2.481 -3.905
52 HA2 GLY 7 HA2 GLY 7 -14.112 2.900 -1.573
53 HA3 GLY 7 HA3 GLY 7 -15.338 1.650 -1.735
54 H GLU 8 H GLU 8 -12.826 2.519 -4.044
55 HA GLU 8 HA GLU 8 -12.101 -0.182 -4.471
56 HB2 GLU 8 HB2 GLU 8 -11.839 1.874 -6.026
57 HB3 GLU 8 HB3 GLU 8 -10.340 2.159 -5.159
58 HG2 GLU 8 HG2 GLU 8 -10.965 -0.439 -6.524
59 HG3 GLU 8 HG3 GLU 8 -10.160 0.897 -7.326
60 H TRP 9 H TRP 9 -10.747 2.422 -2.528
61 HA TRP 9 HA TRP 9 -8.318 1.346 -1.798
62 HB2 TRP 9 HB2 TRP 9 -8.733 3.562 -1.133
63 HB3 TRP 9 HB3 TRP 9 -10.245 3.138 -0.342
64 HD1 TRP 9 HD1 TRP 9 -9.970 3.543 2.157
65 HE1 TRP 9 HE1 TRP 9 -8.173 3.056 3.938
66 HE3 TRP 9 HE3 TRP 9 -6.353 1.548 -0.865
67 HZ2 TRP 9 HZ2 TRP 9 -5.576 1.966 4.038
68 HZ3 TRP 9 HZ3 TRP 9 -4.245 0.803 0.160
69 HH2 TRP 9 HH2 TRP 9 -3.867 1.011 2.563
70 H MET 10 H MET 10 -11.368 1.019 0.032
71 HA MET 10 HA MET 10 -10.397 -0.762 1.945
72 HB2 MET 10 HB2 MET 10 -12.558 0.425 2.105
73 HB3 MET 10 HB3 MET 10 -13.205 -0.607 0.840
74 HG2 MET 10 HG2 MET 10 -12.996 -2.546 2.233
75 HG3 MET 10 HG3 MET 10 -12.174 -1.610 3.480
76 HE1 MET 10 HE1 MET 10 -13.884 1.103 3.364
77 HE2 MET 10 HE2 MET 10 -13.320 0.328 4.845
78 HE3 MET 10 HE3 MET 10 -15.015 0.788 4.681
79 H LYS 11 H LYS 11 -11.593 -1.324 -1.304
80 HA LYS 11 HA LYS 11 -11.894 -4.124 -1.017
81 HB2 LYS 11 HB2 LYS 11 -13.078 -2.851 -2.742
82 HB3 LYS 11 HB3 LYS 11 -11.551 -2.456 -3.516
83 HG2 LYS 11 HG2 LYS 11 -12.165 -5.328 -3.133
84 HG3 LYS 11 HG3 LYS 11 -13.111 -4.448 -4.333
85 HD2 LYS 11 HD2 LYS 11 -10.096 -4.524 -4.235
86 HD3 LYS 11 HD3 LYS 11 -11.097 -5.536 -5.279
87 HE2 LYS 11 HE2 LYS 11 -11.986 -3.565 -6.375
88 HE3 LYS 11 HE3 LYS 11 -11.082 -2.522 -5.283
89 HZ1 LYS 11 HZ1 LYS 11 -9.190 -2.822 -6.412
90 HZ2 LYS 11 HZ2 LYS 11 -10.215 -3.273 -7.694
91 HZ3 LYS 11 HZ3 LYS 11 -9.491 -4.460 -6.730
92 H ASN 12 H ASN 12 -9.334 -2.179 -2.674
93 HA ASN 12 HA ASN 12 -7.729 -4.456 -3.163
94 HB2 ASN 12 HB2 ASN 12 -5.985 -2.975 -3.835
95 HB3 ASN 12 HB3 ASN 12 -7.499 -2.289 -4.392
96 HD21 ASN 12 HD21 ASN 12 -8.021 -0.294 -3.800
97 HD22 ASN 12 HD22 ASN 12 -7.102 0.685 -2.716
98 H TYR 13 H TYR 13 -7.952 -2.274 -0.417
99 HA TYR 13 HA TYR 13 -5.515 -2.994 0.792
100 HB2 TYR 13 HB2 TYR 13 -6.805 -1.022 1.497
101 HB3 TYR 13 HB3 TYR 13 -8.065 -2.073 2.137
102 HD1 TYR 13 HD2 TYR 13 -4.334 -1.961 2.414
103 HD2 TYR 13 HD1 TYR 13 -8.068 -2.121 4.440
104 HE1 TYR 13 HE2 TYR 13 -3.154 -2.049 4.570
105 HE2 TYR 13 HE1 TYR 13 -6.900 -2.212 6.599
106 HH TYR 13 HH TYR 13 -3.483 -1.683 6.875
107 H GLU 14 H GLU 14 -8.791 -4.312 1.191
108 HA GLU 14 HA GLU 14 -8.179 -6.229 3.132
109 HB2 GLU 14 HB2 GLU 14 -10.325 -5.927 1.092
110 HB3 GLU 14 HB3 GLU 14 -10.161 -7.483 1.896
111 HG2 GLU 14 HG2 GLU 14 -10.512 -4.843 3.302
112 HG3 GLU 14 HG3 GLU 14 -11.804 -5.998 2.970
113 H GLU 15 H GLU 15 -7.821 -6.324 -0.365
114 HA GLU 15 HA GLU 15 -7.061 -9.088 -0.443
115 HB2 GLU 15 HB2 GLU 15 -6.549 -6.910 -2.482
116 HB3 GLU 15 HB3 GLU 15 -6.431 -8.643 -2.759
117 HG2 GLU 15 HG2 GLU 15 -8.947 -7.139 -2.068
118 HG3 GLU 15 HG3 GLU 15 -8.491 -7.717 -3.670
119 H LEU 16 H LEU 16 -5.414 -5.993 -0.336
120 HA LEU 16 HA LEU 16 -2.786 -6.903 -0.737
121 HB2 LEU 16 HB2 LEU 16 -3.528 -4.557 -0.949
122 HB3 LEU 16 HB3 LEU 16 -3.736 -4.484 0.791
123 HG LEU 16 HG LEU 16 -1.317 -4.872 1.085
124 HD11 LEU 16 HD11 LEU 16 -1.232 -4.669 -1.922
125 HD12 LEU 16 HD12 LEU 16 -0.911 -6.121 -0.972
126 HD13 LEU 16 HD13 LEU 16 0.164 -4.729 -0.847
127 HD21 LEU 16 HD21 LEU 16 -0.590 -2.679 0.318
128 HD22 LEU 16 HD22 LEU 16 -2.211 -2.600 1.010
129 HD23 LEU 16 HD23 LEU 16 -1.995 -2.572 -0.740
130 H LYS 17 H LYS 17 -4.673 -6.411 2.231
131 HA LYS 17 HA LYS 17 -2.753 -6.825 4.178
132 HB2 LYS 17 HB2 LYS 17 -5.575 -7.917 4.136
133 HB3 LYS 17 HB3 LYS 17 -4.562 -7.788 5.564
134 HG2 LYS 17 HG2 LYS 17 -4.645 -5.433 5.521
135 HG3 LYS 17 HG3 LYS 17 -5.357 -5.421 3.904
136 HD2 LYS 17 HD2 LYS 17 -7.043 -4.982 5.607
137 HD3 LYS 17 HD3 LYS 17 -7.367 -6.500 4.779
138 HE2 LYS 17 HE2 LYS 17 -6.313 -7.710 6.652
139 HE3 LYS 17 HE3 LYS 17 -6.078 -6.175 7.487
140 HZ1 LYS 17 HZ1 LYS 17 -8.072 -7.444 8.200
141 HZ2 LYS 17 HZ2 LYS 17 -8.735 -7.202 6.658
142 HZ3 LYS 17 HZ3 LYS 17 -8.416 -5.874 7.659
143 H SER 18 H SER 18 -4.836 -9.291 2.733
144 HA SER 18 HA SER 18 -3.534 -11.492 3.876
145 HB2 SER 18 HB2 SER 18 -5.170 -11.383 1.333
146 HB3 SER 18 HB3 SER 18 -4.814 -12.831 2.279
147 HG SER 18 HG SER 18 -6.865 -11.997 2.816
148 H PHE 19 H PHE 19 -2.976 -9.785 0.809
149 HA PHE 19 HA PHE 19 -1.218 -11.707 -0.286
150 HB2 PHE 19 HB2 PHE 19 -2.402 -9.655 -1.382
151 HB3 PHE 19 HB3 PHE 19 -0.969 -8.773 -0.865
152 HD1 PHE 19 HD2 PHE 19 -2.194 -11.525 -2.980
153 HD2 PHE 19 HD1 PHE 19 1.097 -9.006 -2.014
154 HE1 PHE 19 HE2 PHE 19 -1.019 -12.292 -5.002
155 HE2 PHE 19 HE1 PHE 19 2.275 -9.766 -4.036
156 HZ PHE 19 HZ PHE 19 1.217 -11.413 -5.533
157 H VAL 20 H VAL 20 -0.624 -8.741 1.584
158 HA VAL 20 HA VAL 20 2.203 -9.004 1.616
159 HB VAL 20 HB VAL 20 0.297 -7.395 3.313
160 HG11 VAL 20 HG11 VAL 20 3.314 -7.422 3.469
161 HG12 VAL 20 HG12 VAL 20 2.197 -7.932 4.736
162 HG13 VAL 20 HG13 VAL 20 2.264 -6.240 4.247
163 HG21 VAL 20 HG21 VAL 20 1.322 -5.520 2.126
164 HG22 VAL 20 HG22 VAL 20 0.609 -6.680 1.005
165 HG23 VAL 20 HG23 VAL 20 2.358 -6.642 1.246
166 H ARG 21 H ARG 21 -0.345 -10.180 3.744
167 HA ARG 21 HA ARG 21 1.426 -11.054 5.794
168 HB2 ARG 21 HB2 ARG 21 -0.970 -10.681 6.204
169 HB3 ARG 21 HB3 ARG 21 -1.370 -12.001 5.118
170 HG2 ARG 21 HG2 ARG 21 0.387 -12.563 7.457
171 HG3 ARG 21 HG3 ARG 21 -1.342 -12.335 7.722
172 HD2 ARG 21 HD2 ARG 21 -1.872 -14.132 6.231
173 HD3 ARG 21 HD3 ARG 21 -0.193 -14.267 5.718
174 HE ARG 21 HE ARG 21 -0.020 -14.735 8.362
175 HH11 ARG 21 HH11 ARG 21 -2.193 -16.011 5.931
176 HH12 ARG 21 HH12 ARG 21 -2.267 -17.597 6.655
177 HH21 ARG 21 HH21 ARG 21 -0.105 -16.833 9.296
178 HH22 ARG 21 HH22 ARG 21 -1.067 -18.067 8.530
179 H LYS 22 H LYS 22 0.112 -12.554 2.892
180 HA LYS 22 HA LYS 22 0.997 -15.188 3.559
181 HB2 LYS 22 HB2 LYS 22 -0.890 -14.286 1.907
182 HB3 LYS 22 HB3 LYS 22 0.415 -14.422 0.739
183 HG2 LYS 22 HG2 LYS 22 -0.323 -16.712 2.519
184 HG3 LYS 22 HG3 LYS 22 -1.190 -16.393 1.018
185 HD2 LYS 22 HD2 LYS 22 0.928 -16.558 -0.217
186 HD3 LYS 22 HD3 LYS 22 1.767 -16.917 1.294
187 HE2 LYS 22 HE2 LYS 22 0.483 -18.939 1.582
188 HE3 LYS 22 HE3 LYS 22 -0.500 -18.557 0.171
189 HZ1 LYS 22 HZ1 LYS 22 2.425 -19.089 0.099
190 HZ2 LYS 22 HZ2 LYS 22 1.408 -18.827 -1.238
191 HZ3 LYS 22 HZ3 LYS 22 1.218 -20.219 -0.292
192 H TYR 23 H TYR 23 2.149 -12.757 1.195
193 HA TYR 23 HA TYR 23 4.466 -14.470 0.659
194 HB2 TYR 23 HB2 TYR 23 3.356 -12.042 -0.747
195 HB3 TYR 23 HB3 TYR 23 4.899 -12.770 -1.176
196 HD1 TYR 23 HD1 TYR 23 4.955 -15.084 -2.079
197 HD2 TYR 23 HD2 TYR 23 1.300 -12.996 -1.461
198 HE1 TYR 23 HE1 TYR 23 3.811 -16.663 -3.572
199 HE2 TYR 23 HE2 TYR 23 0.143 -14.575 -2.950
200 HH TYR 23 HH TYR 23 0.614 -16.123 -4.718
201 H ARG 24 H ARG 24 3.642 -11.702 2.442
202 HA ARG 24 HA ARG 24 4.744 -10.006 3.431
203 HB2 ARG 24 HB2 ARG 24 6.982 -11.990 3.206
204 HB3 ARG 24 HB3 ARG 24 7.291 -10.364 3.801
205 HG2 ARG 24 HG2 ARG 24 5.523 -12.473 4.999
206 HG3 ARG 24 HG3 ARG 24 6.942 -11.699 5.710
207 HD2 ARG 24 HD2 ARG 24 5.630 -9.515 5.535
208 HD3 ARG 24 HD3 ARG 24 4.225 -10.518 5.201
209 HE ARG 24 HE ARG 24 5.607 -11.285 7.599
210 HH11 ARG 24 HH11 ARG 24 3.206 -9.140 6.234
211 HH12 ARG 24 HH12 ARG 24 2.399 -8.859 7.741
212 HH21 ARG 24 HH21 ARG 24 4.544 -10.937 9.589
213 HH22 ARG 24 HH22 ARG 24 3.141 -9.902 9.654
214 H ARG 25 H ARG 25 4.397 -8.477 2.015
215 HA ARG 25 HA ARG 25 4.645 -6.927 0.419
216 HB2 ARG 25 HB2 ARG 25 6.681 -5.900 0.238
217 HB3 ARG 25 HB3 ARG 25 6.940 -6.832 1.702
218 HG2 ARG 25 HG2 ARG 25 7.885 -8.617 0.051
219 HG3 ARG 25 HG3 ARG 25 8.060 -7.231 -1.028
220 HD2 ARG 25 HD2 ARG 25 9.328 -6.075 0.742
221 HD3 ARG 25 HD3 ARG 25 9.222 -7.527 1.735
222 HE ARG 25 HE ARG 25 10.928 -7.104 -0.561
223 HH11 ARG 25 HH11 ARG 25 9.493 -9.420 1.640
224 HH12 ARG 25 HH12 ARG 25 10.587 -10.698 1.213
225 HH21 ARG 25 HH21 ARG 25 12.369 -8.777 -1.136
226 HH22 ARG 25 HH22 ARG 25 12.219 -10.339 -0.379
227 H PHE 26 H PHE 26 5.488 -6.529 -1.887
228 HA PHE 26 HA PHE 26 5.805 -9.019 -3.354
229 HB2 PHE 26 HB2 PHE 26 4.014 -8.325 -4.977
230 HB3 PHE 26 HB3 PHE 26 3.432 -8.807 -3.393
231 HD1 PHE 26 HD1 PHE 26 3.185 -6.735 -1.699
232 HD2 PHE 26 HD2 PHE 26 3.060 -6.503 -5.945
233 HE1 PHE 26 HE1 PHE 26 1.905 -4.645 -1.544
234 HE2 PHE 26 HE2 PHE 26 1.789 -4.404 -5.794
235 HZ PHE 26 HZ PHE 26 1.212 -3.475 -3.591
236 HA PRO 27 HA PRO 27 8.662 -5.788 -4.804
237 HB2 PRO 27 HB2 PRO 27 10.409 -8.048 -5.428
238 HB3 PRO 27 HB3 PRO 27 10.674 -6.702 -4.319
239 HG2 PRO 27 HG2 PRO 27 10.260 -9.226 -3.450
240 HG3 PRO 27 HG3 PRO 27 9.724 -7.804 -2.538
241 HD2 PRO 27 HD2 PRO 27 8.132 -9.626 -4.309
242 HD3 PRO 27 HD3 PRO 27 7.703 -8.932 -2.729
243 H LYS 28 H LYS 28 7.947 -8.867 -6.432
244 HA LYS 28 HA LYS 28 8.463 -7.529 -9.010
245 HB2 LYS 28 HB2 LYS 28 8.710 -10.464 -8.329
246 HB3 LYS 28 HB3 LYS 28 9.000 -9.758 -9.912
247 HG2 LYS 28 HG2 LYS 28 10.878 -8.510 -9.055
248 HG3 LYS 28 HG3 LYS 28 10.555 -9.094 -7.422
249 HD2 LYS 28 HD2 LYS 28 10.936 -11.403 -8.217
250 HD3 LYS 28 HD3 LYS 28 11.357 -10.758 -9.806
251 HE2 LYS 28 HE2 LYS 28 13.211 -9.519 -8.821
252 HE3 LYS 28 HE3 LYS 28 12.774 -10.119 -7.221
253 HZ1 LYS 28 HZ1 LYS 28 14.592 -11.387 -8.178
254 HZ2 LYS 28 HZ2 LYS 28 13.632 -11.796 -9.517
255 HZ3 LYS 28 HZ3 LYS 28 13.220 -12.362 -7.972
256 H SER 29 H SER 29 5.975 -8.279 -7.153
257 HA SER 29 HA SER 29 4.369 -9.727 -9.083
258 HB2 SER 29 HB2 SER 29 3.536 -8.603 -6.398
259 HB3 SER 29 HB3 SER 29 2.699 -9.834 -7.346
260 HG SER 29 HG SER 29 3.970 -11.293 -6.534
261 H THR 30 H THR 30 3.407 -8.680 -10.679
262 HA THR 30 HA THR 30 2.452 -5.932 -10.184
263 HB THR 30 HB THR 30 4.355 -5.998 -11.756
264 HG1 THR 30 HG1 THR 30 1.845 -5.318 -12.927
265 HG21 THR 30 HG21 THR 30 4.090 -6.994 -13.980
266 HG22 THR 30 HG22 THR 30 2.530 -7.659 -13.494
267 HG23 THR 30 HG23 THR 30 4.009 -8.217 -12.712
268 H GLU 31 H GLU 31 1.158 -8.585 -9.868
269 HA GLU 31 HA GLU 31 -0.720 -8.935 -11.977
270 HB2 GLU 31 HB2 GLU 31 -0.635 -9.986 -9.153
271 HB3 GLU 31 HB3 GLU 31 -1.876 -10.432 -10.312
272 HG2 GLU 31 HG2 GLU 31 -0.109 -11.313 -11.796
273 HG3 GLU 31 HG3 GLU 31 1.072 -10.960 -10.534
274 H GLY 32 H GLY 32 -2.736 -8.213 -12.216
275 HA2 GLY 32 HA2 GLY 32 -4.673 -7.052 -11.895
276 HA3 GLY 32 HA3 GLY 32 -4.495 -7.454 -10.196
277 H ASN 33 H ASN 33 -5.380 -5.477 -9.585
278 HA ASN 33 HA ASN 33 -4.320 -2.981 -10.449
279 HB2 ASN 33 HB2 ASN 33 -5.779 -1.966 -8.893
280 HB3 ASN 33 HB3 ASN 33 -6.629 -3.404 -9.443
281 HD21 ASN 33 HD21 ASN 33 -5.169 -1.783 -6.794
282 HD22 ASN 33 HD22 ASN 33 -5.618 -2.912 -5.568
283 H LEU 34 H LEU 34 -3.445 -5.231 -7.956
284 HA LEU 34 HA LEU 34 -2.078 -3.519 -6.199
285 HB2 LEU 34 HB2 LEU 34 -1.510 -6.405 -6.842
286 HB3 LEU 34 HB3 LEU 34 -0.860 -5.534 -5.477
287 HG LEU 34 HG LEU 34 -3.811 -6.021 -5.893
288 HD11 LEU 34 HD11 LEU 34 -2.687 -8.148 -5.596
289 HD12 LEU 34 HD12 LEU 34 -3.581 -7.724 -4.134
290 HD13 LEU 34 HD13 LEU 34 -1.829 -7.522 -4.187
291 HD21 LEU 34 HD21 LEU 34 -2.250 -5.126 -3.474
292 HD22 LEU 34 HD22 LEU 34 -3.990 -5.405 -3.546
293 HD23 LEU 34 HD23 LEU 34 -3.267 -4.095 -4.481
294 H GLY 35 H GLY 35 -1.044 -5.206 -9.114
295 HA2 GLY 35 HA2 GLY 35 1.703 -4.744 -8.942
296 HA3 GLY 35 HA3 GLY 35 0.808 -4.956 -10.440
297 H GLY 36 H GLY 36 -0.845 -2.725 -10.337
298 HA2 GLY 36 HA2 GLY 36 1.069 -0.659 -11.051
299 HA3 GLY 36 HA3 GLY 36 -0.675 -0.566 -11.241
300 H TRP 37 H TRP 37 -1.046 -1.452 -8.448
301 HA TRP 37 HA TRP 37 -1.427 0.999 -7.186
302 HB2 TRP 37 HB2 TRP 37 -2.341 -1.383 -6.659
303 HB3 TRP 37 HB3 TRP 37 -0.911 -1.523 -5.639
304 HD1 TRP 37 HD1 TRP 37 -4.049 0.656 -6.040
305 HE1 TRP 37 HE1 TRP 37 -4.638 1.649 -3.759
306 HE3 TRP 37 HE3 TRP 37 -0.045 -1.040 -3.357
307 HZ2 TRP 37 HZ2 TRP 37 -3.569 1.705 -1.146
308 HZ3 TRP 37 HZ3 TRP 37 0.096 -0.476 -0.968
309 HH2 TRP 37 HH2 TRP 37 -1.632 0.872 0.114
310 H CYS 38 H CYS 38 1.093 -1.447 -6.535
311 HA CYS 38 HA CYS 38 2.477 0.141 -4.654
312 HB2 CYS 38 HB2 CYS 38 4.298 -1.505 -4.904
313 HB3 CYS 38 HB3 CYS 38 2.729 -2.276 -4.708
314 HG CYS 38 HG CYS 38 3.066 -3.834 -6.702
315 H HIS 39 H HIS 39 2.808 -0.211 -8.122
316 HA HIS 39 HA HIS 39 5.323 1.119 -8.295
317 HB2 HIS 39 HB2 HIS 39 3.295 0.167 -10.284
318 HB3 HIS 39 HB3 HIS 39 4.621 1.197 -10.809
319 HD1 HIS 39 HD1 HIS 39 3.773 -2.266 -10.241
320 HD2 HIS 39 HD2 HIS 39 7.253 0.000 -10.088
321 HE1 HIS 39 HE1 HIS 39 5.663 -3.917 -10.355
322 HE2 HIS 39 HE2 HIS 39 7.745 -2.541 -10.043
323 H THR 40 H THR 40 1.971 2.135 -8.788
324 HA THR 40 HA THR 40 2.528 4.720 -9.768
325 HB THR 40 HB THR 40 0.130 3.709 -8.223
326 HG1 THR 40 HG1 THR 40 0.216 2.587 -10.102
327 HG21 THR 40 HG21 THR 40 -1.084 5.592 -9.227
328 HG22 THR 40 HG22 THR 40 0.424 6.187 -9.923
329 HG23 THR 40 HG23 THR 40 0.218 6.143 -8.171
330 H GLN 41 H GLN 41 2.217 3.443 -6.498
331 HA GLN 41 HA GLN 41 2.288 6.037 -5.292
332 HB2 GLN 41 HB2 GLN 41 2.163 3.240 -4.313
333 HB3 GLN 41 HB3 GLN 41 2.753 4.471 -3.200
334 HG2 GLN 41 HG2 GLN 41 0.751 5.530 -3.078
335 HG3 GLN 41 HG3 GLN 41 0.286 5.073 -4.715
336 HE21 GLN 41 HE21 GLN 41 -0.684 3.128 -5.072
337 HE22 GLN 41 HE22 GLN 41 -1.351 2.170 -3.805
338 H ARG 42 H ARG 42 4.693 4.037 -6.578
339 HA ARG 42 HA ARG 42 6.890 4.781 -4.977
340 HB2 ARG 42 HB2 ARG 42 6.492 3.587 -7.590
341 HB3 ARG 42 HB3 ARG 42 7.826 4.729 -7.620
342 HG2 ARG 42 HG2 ARG 42 8.654 2.529 -7.144
343 HG3 ARG 42 HG3 ARG 42 8.849 3.551 -5.718
344 HD2 ARG 42 HD2 ARG 42 6.823 2.578 -4.751
345 HD3 ARG 42 HD3 ARG 42 6.631 1.558 -6.176
346 HE ARG 42 HE ARG 42 9.168 1.036 -5.199
347 HH11 ARG 42 HH11 ARG 42 5.866 0.755 -4.069
348 HH12 ARG 42 HH12 ARG 42 6.202 -0.569 -3.004
349 HH21 ARG 42 HH21 ARG 42 9.623 -0.726 -3.803
350 HH22 ARG 42 HH22 ARG 42 8.346 -1.414 -2.855
351 H LYS 43 H LYS 43 5.226 6.367 -7.634
352 HA LYS 43 HA LYS 43 7.018 8.580 -7.808
353 HB2 LYS 43 HB2 LYS 43 4.209 8.140 -8.834
354 HB3 LYS 43 HB3 LYS 43 5.096 9.636 -9.107
355 HG2 LYS 43 HG2 LYS 43 5.465 8.441 -11.052
356 HG3 LYS 43 HG3 LYS 43 6.916 8.098 -10.105
357 HD2 LYS 43 HD2 LYS 43 6.314 5.996 -10.854
358 HD3 LYS 43 HD3 LYS 43 5.562 6.045 -9.266
359 HE2 LYS 43 HE2 LYS 43 3.982 5.138 -10.820
360 HE3 LYS 43 HE3 LYS 43 3.445 6.750 -10.349
361 HZ1 LYS 43 HZ1 LYS 43 4.313 7.625 -12.419
362 HZ2 LYS 43 HZ2 LYS 43 3.215 6.373 -12.732
363 HZ3 LYS 43 HZ3 LYS 43 4.882 6.089 -12.864
364 H MET 44 H MET 44 4.032 7.916 -6.092
365 HA MET 44 HA MET 44 3.650 10.579 -5.144
366 HB2 MET 44 HB2 MET 44 2.541 7.952 -4.141
367 HB3 MET 44 HB3 MET 44 2.022 9.532 -3.578
368 HG2 MET 44 HG2 MET 44 1.827 8.630 -6.437
369 HG3 MET 44 HG3 MET 44 0.527 8.460 -5.261
370 HE1 MET 44 HE1 MET 44 1.993 12.393 -7.177
371 HE2 MET 44 HE2 MET 44 2.306 10.771 -7.798
372 HE3 MET 44 HE3 MET 44 3.107 11.322 -6.326
373 H ARG 45 H ARG 45 5.233 7.706 -3.885
374 HA ARG 45 HA ARG 45 5.985 8.699 -1.351
375 HB2 ARG 45 HB2 ARG 45 6.246 6.357 -1.815
376 HB3 ARG 45 HB3 ARG 45 7.253 6.681 -3.217
377 HG2 ARG 45 HG2 ARG 45 8.905 7.718 -1.555
378 HG3 ARG 45 HG3 ARG 45 7.955 6.900 -0.312
379 HD2 ARG 45 HD2 ARG 45 8.353 4.760 -1.370
380 HD3 ARG 45 HD3 ARG 45 9.212 5.543 -2.693
381 HE ARG 45 HE ARG 45 10.184 5.158 0.043
382 HH11 ARG 45 HH11 ARG 45 10.761 6.387 -3.186
383 HH12 ARG 45 HH12 ARG 45 12.479 6.444 -2.992
384 HH21 ARG 45 HH21 ARG 45 12.436 5.217 0.296
385 HH22 ARG 45 HH22 ARG 45 13.447 5.765 -1.016
386 H LYS 46 H LYS 46 7.505 8.773 -4.504
387 HA LYS 46 HA LYS 46 9.933 10.006 -3.830
388 HB2 LYS 46 HB2 LYS 46 9.732 8.905 -5.928
389 HB3 LYS 46 HB3 LYS 46 8.309 9.840 -6.362
390 HG2 LYS 46 HG2 LYS 46 10.022 11.846 -6.148
391 HG3 LYS 46 HG3 LYS 46 11.174 10.558 -6.518
392 HD2 LYS 46 HD2 LYS 46 9.923 9.980 -8.515
393 HD3 LYS 46 HD3 LYS 46 8.713 11.208 -8.132
394 HE2 LYS 46 HE2 LYS 46 10.107 12.187 -9.738
395 HE3 LYS 46 HE3 LYS 46 10.607 12.887 -8.202
396 HZ1 LYS 46 HZ1 LYS 46 12.564 12.309 -9.369
397 HZ2 LYS 46 HZ2 LYS 46 11.982 10.762 -9.748
398 HZ3 LYS 46 HZ3 LYS 46 12.389 11.144 -8.147
399 H GLN 47 H GLN 47 6.937 11.383 -5.161
400 HA GLN 47 HA GLN 47 7.726 14.074 -5.074
401 HB2 GLN 47 HB2 GLN 47 5.671 12.866 -6.175
402 HB3 GLN 47 HB3 GLN 47 4.876 13.252 -4.655
403 HG2 GLN 47 HG2 GLN 47 5.236 15.601 -5.003
404 HG3 GLN 47 HG3 GLN 47 6.197 15.273 -6.445
405 HE21 GLN 47 HE21 GLN 47 5.156 14.480 -8.312
406 HE22 GLN 47 HE22 GLN 47 3.459 14.716 -8.553
407 H GLY 48 H GLY 48 6.393 11.940 -2.654
408 HA2 GLY 48 HA2 GLY 48 6.681 12.162 -0.350
409 HA3 GLY 48 HA3 GLY 48 7.175 13.829 -0.597
410 H LYS 49 H LYS 49 4.209 12.447 -1.881
411 HA LYS 49 HA LYS 49 2.720 14.153 0.010
412 HB2 LYS 49 HB2 LYS 49 1.088 14.595 -1.737
413 HB3 LYS 49 HB3 LYS 49 2.688 15.124 -2.231
414 HG2 LYS 49 HG2 LYS 49 2.853 13.564 -3.878
415 HG3 LYS 49 HG3 LYS 49 1.825 12.404 -3.033
416 HD2 LYS 49 HD2 LYS 49 0.817 14.957 -4.286
417 HD3 LYS 49 HD3 LYS 49 0.788 13.383 -5.084
418 HE2 LYS 49 HE2 LYS 49 -0.606 12.496 -3.273
419 HE3 LYS 49 HE3 LYS 49 -0.583 14.071 -2.484
420 HZ1 LYS 49 HZ1 LYS 49 -1.783 15.021 -4.285
421 HZ2 LYS 49 HZ2 LYS 49 -2.614 13.626 -3.805
422 HZ3 LYS 49 HZ3 LYS 49 -1.667 13.602 -5.209
423 H LEU 50 H LEU 50 3.399 11.121 -0.553
424 HA LEU 50 HA LEU 50 0.980 9.756 -0.906
425 HB2 LEU 50 HB2 LEU 50 3.705 9.147 -0.078
426 HB3 LEU 50 HB3 LEU 50 2.540 8.150 0.760
427 HG LEU 50 HG LEU 50 2.988 8.343 -2.209
428 HD11 LEU 50 HD11 LEU 50 4.592 6.979 -0.977
429 HD12 LEU 50 HD12 LEU 50 3.558 5.984 -2.002
430 HD13 LEU 50 HD13 LEU 50 3.268 6.058 -0.263
431 HD21 LEU 50 HD21 LEU 50 0.882 6.771 -0.736
432 HD22 LEU 50 HD22 LEU 50 1.226 6.682 -2.464
433 HD23 LEU 50 HD23 LEU 50 0.594 8.173 -1.766
434 HA PRO 51 HA PRO 51 -1.271 10.568 2.822
435 HB2 PRO 51 HB2 PRO 51 -2.356 7.835 2.455
436 HB3 PRO 51 HB3 PRO 51 -3.205 9.379 2.580
437 HG2 PRO 51 HG2 PRO 51 -2.974 8.127 0.239
438 HG3 PRO 51 HG3 PRO 51 -2.875 9.893 0.350
439 HD2 PRO 51 HD2 PRO 51 -0.683 7.893 0.009
440 HD3 PRO 51 HD3 PRO 51 -0.871 9.505 -0.706
441 H ASN 52 H ASN 52 -0.763 10.389 4.860
442 HA ASN 52 HA ASN 52 1.112 8.459 5.793
443 HB2 ASN 52 HB2 ASN 52 1.164 10.671 6.720
444 HB3 ASN 52 HB3 ASN 52 -0.518 10.557 7.221
445 HD21 ASN 52 HD21 ASN 52 -1.044 9.491 9.067
446 HD22 ASN 52 HD22 ASN 52 0.125 8.920 10.195
447 H ASP 53 H ASP 53 -2.393 8.881 6.183
448 HA ASP 53 HA ASP 53 -2.811 6.936 8.157
449 HB2 ASP 53 HB2 ASP 53 -4.624 7.687 5.852
450 HB3 ASP 53 HB3 ASP 53 -5.120 6.757 7.262
451 H ARG 54 H ARG 54 -3.114 6.620 4.649
452 HA ARG 54 HA ARG 54 -3.386 3.852 4.492
453 HB2 ARG 54 HB2 ARG 54 -3.870 5.212 2.589
454 HB3 ARG 54 HB3 ARG 54 -2.235 5.859 2.564
455 HG2 ARG 54 HG2 ARG 54 -1.829 3.150 2.332
456 HG3 ARG 54 HG3 ARG 54 -3.295 3.426 1.381
457 HD2 ARG 54 HD2 ARG 54 -1.143 3.661 0.113
458 HD3 ARG 54 HD3 ARG 54 -2.210 5.067 0.050
459 HE ARG 54 HE ARG 54 -0.775 6.062 1.790
460 HH11 ARG 54 HH11 ARG 54 0.509 3.569 -0.291
461 HH12 ARG 54 HH12 ARG 54 2.163 3.964 0.052
462 HH21 ARG 54 HH21 ARG 54 1.385 6.604 2.239
463 HH22 ARG 54 HH22 ARG 54 2.667 5.707 1.488
464 H ARG 55 H ARG 55 -0.504 5.882 4.569
465 HA ARG 55 HA ARG 55 1.472 3.986 4.063
466 HB2 ARG 55 HB2 ARG 55 1.998 6.341 4.212
467 HB3 ARG 55 HB3 ARG 55 1.494 6.388 5.895
468 HG2 ARG 55 HG2 ARG 55 3.363 4.639 6.255
469 HG3 ARG 55 HG3 ARG 55 3.962 5.213 4.697
470 HD2 ARG 55 HD2 ARG 55 3.811 7.539 5.659
471 HD3 ARG 55 HD3 ARG 55 3.554 6.783 7.221
472 HE ARG 55 HE ARG 55 5.761 5.662 6.821
473 HH11 ARG 55 HH11 ARG 55 4.978 8.735 5.319
474 HH12 ARG 55 HH12 ARG 55 6.627 9.276 5.275
475 HH21 ARG 55 HH21 ARG 55 7.937 6.359 6.742
476 HH22 ARG 55 HH22 ARG 55 8.319 7.910 6.044
477 H LEU 56 H LEU 56 0.033 4.989 7.143
478 HA LEU 56 HA LEU 56 1.626 3.260 8.701
479 HB2 LEU 56 HB2 LEU 56 0.413 5.335 9.485
480 HB3 LEU 56 HB3 LEU 56 -1.063 4.388 9.471
481 HG LEU 56 HG LEU 56 -0.098 2.864 11.149
482 HD11 LEU 56 HD11 LEU 56 2.261 3.140 10.561
483 HD12 LEU 56 HD12 LEU 56 1.979 3.428 12.277
484 HD13 LEU 56 HD13 LEU 56 2.222 4.789 11.182
485 HD21 LEU 56 HD21 LEU 56 -1.443 4.786 11.846
486 HD22 LEU 56 HD22 LEU 56 0.017 5.772 11.943
487 HD23 LEU 56 HD23 LEU 56 -0.196 4.401 13.033
488 H LEU 57 H LEU 57 -1.553 2.962 7.208
489 HA LEU 57 HA LEU 57 -2.380 0.585 8.461
490 HB2 LEU 57 HB2 LEU 57 -3.027 1.537 5.669
491 HB3 LEU 57 HB3 LEU 57 -3.897 0.300 6.550
492 HG LEU 57 HG LEU 57 -3.785 3.244 7.185
493 HD11 LEU 57 HD11 LEU 57 -5.280 2.644 5.370
494 HD12 LEU 57 HD12 LEU 57 -6.190 3.141 6.796
495 HD13 LEU 57 HD13 LEU 57 -6.053 1.430 6.389
496 HD21 LEU 57 HD21 LEU 57 -3.723 1.967 9.263
497 HD22 LEU 57 HD22 LEU 57 -5.130 1.040 8.742
498 HD23 LEU 57 HD23 LEU 57 -5.276 2.772 9.048
499 H LEU 58 H LEU 58 -0.281 1.173 5.711
500 HA LEU 58 HA LEU 58 -0.144 -1.545 4.865
501 HB2 LEU 58 HB2 LEU 58 1.811 0.704 4.389
502 HB3 LEU 58 HB3 LEU 58 1.793 -0.832 3.544
503 HG LEU 58 HG LEU 58 -0.291 1.340 3.398
504 HD11 LEU 58 HD11 LEU 58 0.328 1.421 1.046
505 HD12 LEU 58 HD12 LEU 58 1.533 0.160 1.310
506 HD13 LEU 58 HD13 LEU 58 1.726 1.735 2.077
507 HD21 LEU 58 HD21 LEU 58 -1.475 -0.084 1.826
508 HD22 LEU 58 HD22 LEU 58 -1.367 -0.855 3.409
509 HD23 LEU 58 HD23 LEU 58 -0.308 -1.378 2.097
510 H ASP 59 H ASP 59 1.834 0.492 6.955
511 HA ASP 59 HA ASP 59 3.827 -1.429 7.505
512 HB2 ASP 59 HB2 ASP 59 4.184 0.930 7.983
513 HB3 ASP 59 HB3 ASP 59 2.867 0.921 9.150
514 H LYS 60 H LYS 60 0.665 -0.795 8.870
515 HA LYS 60 HA LYS 60 0.752 -2.363 11.156
516 HB2 LYS 60 HB2 LYS 60 -1.388 -1.464 9.276
517 HB3 LYS 60 HB3 LYS 60 -1.780 -2.627 10.524
518 HG2 LYS 60 HG2 LYS 60 -0.527 0.053 11.039
519 HG3 LYS 60 HG3 LYS 60 -2.255 -0.290 11.159
520 HD2 LYS 60 HD2 LYS 60 -1.809 -1.947 12.896
521 HD3 LYS 60 HD3 LYS 60 -0.077 -1.627 12.765
522 HE2 LYS 60 HE2 LYS 60 -0.381 0.626 13.532
523 HE3 LYS 60 HE3 LYS 60 -2.133 0.449 13.495
524 HZ1 LYS 60 HZ1 LYS 60 -1.938 -1.251 15.229
525 HZ2 LYS 60 HZ2 LYS 60 -1.319 0.245 15.741
526 HZ3 LYS 60 HZ3 LYS 60 -0.259 -1.002 15.292
527 H ILE 61 H ILE 61 -0.146 -3.284 7.822
528 HA ILE 61 HA ILE 61 -0.615 -6.012 8.588
529 HB ILE 61 HB ILE 61 -0.841 -6.450 6.147
530 HG12 ILE 61 HG12 ILE 61 -0.447 -3.458 5.894
531 HG13 ILE 61 HG13 ILE 61 0.709 -4.675 5.364
532 HG21 ILE 61 HG21 ILE 61 -2.465 -4.169 7.261
533 HG22 ILE 61 HG22 ILE 61 -2.764 -5.889 7.515
534 HG23 ILE 61 HG23 ILE 61 -2.932 -5.192 5.903
535 HD11 ILE 61 HD11 ILE 61 -2.075 -4.307 4.290
536 HD12 ILE 61 HD12 ILE 61 -0.912 -5.518 3.753
537 HD13 ILE 61 HD13 ILE 61 -0.581 -3.803 3.502
538 H GLY 62 H GLY 62 2.166 -4.235 7.926
539 HA2 GLY 62 HA2 GLY 62 4.248 -5.308 8.517
540 HA3 GLY 62 HA3 GLY 62 3.653 -6.774 7.756
541 H PHE 63 H PHE 63 2.988 -3.964 5.955
542 HA PHE 63 HA PHE 63 4.795 -4.756 3.882
543 HB2 PHE 63 HB2 PHE 63 2.608 -3.677 3.411
544 HB3 PHE 63 HB3 PHE 63 3.196 -2.196 4.156
545 HD1 PHE 63 HD2 PHE 63 3.702 -4.512 1.320
546 HD2 PHE 63 HD1 PHE 63 4.491 -0.656 2.935
547 HE1 PHE 63 HE2 PHE 63 4.598 -3.790 -0.854
548 HE2 PHE 63 HE1 PHE 63 5.392 0.076 0.766
549 HZ PHE 63 HZ PHE 63 5.448 -1.491 -1.132
550 H VAL 64 H VAL 64 6.833 -4.202 3.628
551 HA VAL 64 HA VAL 64 8.037 -2.434 5.561
552 HB VAL 64 HB VAL 64 9.048 -4.619 5.070
553 HG11 VAL 64 HG11 VAL 64 8.530 -4.838 2.721
554 HG12 VAL 64 HG12 VAL 64 10.270 -4.977 2.968
555 HG13 VAL 64 HG13 VAL 64 9.588 -3.479 2.334
556 HG21 VAL 64 HG21 VAL 64 10.764 -2.252 4.344
557 HG22 VAL 64 HG22 VAL 64 11.373 -3.840 4.805
558 HG23 VAL 64 HG23 VAL 64 10.457 -2.878 5.965
559 H TRP 65 H TRP 65 8.862 -0.469 5.182
560 HA TRP 65 HA TRP 65 8.284 0.721 2.584
561 HB2 TRP 65 HB2 TRP 65 8.945 1.884 5.282
562 HB3 TRP 65 HB3 TRP 65 8.894 2.873 3.823
563 HD1 TRP 65 HD1 TRP 65 6.689 1.486 6.483
564 HE1 TRP 65 HE1 TRP 65 4.219 1.951 5.914
565 HE3 TRP 65 HE3 TRP 65 7.249 2.977 1.635
566 HZ2 TRP 65 HZ2 TRP 65 2.711 2.830 3.689
567 HZ3 TRP 65 HZ3 TRP 65 5.251 3.609 0.350
568 HH2 TRP 65 HH2 TRP 65 3.026 3.536 1.361
569 H SER 66 H SER 66 10.612 -1.071 3.301
570 HA SER 66 HA SER 66 12.639 -1.428 2.364
571 HB2 SER 66 HB2 SER 66 12.384 1.307 1.095
572 HB3 SER 66 HB3 SER 66 13.456 -0.002 0.595
573 HG SER 66 HG SER 66 10.705 -0.496 0.729
574 H LEU 67 H LEU 67 14.421 -1.453 3.532
575 HA LEU 67 HA LEU 67 15.106 0.662 5.328
576 HB2 LEU 67 HB2 LEU 67 16.464 -1.898 4.523
577 HB3 LEU 67 HB3 LEU 67 17.278 -0.723 5.537
578 HG LEU 67 HG LEU 67 15.351 -0.923 7.151
579 HD11 LEU 67 HD11 LEU 67 14.670 -3.324 5.465
580 HD12 LEU 67 HD12 LEU 67 13.699 -1.860 5.621
581 HD13 LEU 67 HD13 LEU 67 13.950 -2.905 7.019
582 HD21 LEU 67 HD21 LEU 67 16.942 -3.422 6.597
583 HD22 LEU 67 HD22 LEU 67 16.164 -3.000 8.123
584 HD23 LEU 67 HD23 LEU 67 17.500 -2.022 7.514
585 H GLU 68 H GLU 68 17.848 0.951 5.100
586 HA GLU 68 HA GLU 68 19.216 2.540 4.229
587 HB2 GLU 68 HB2 GLU 68 19.612 0.901 2.465
588 HB3 GLU 68 HB3 GLU 68 18.169 1.428 1.613
589 HG2 GLU 68 HG2 GLU 68 20.261 2.258 0.613
590 HG3 GLU 68 HG3 GLU 68 19.169 3.548 1.110
591 H HIS 69 H HIS 69 17.842 4.071 5.241
592 HA HIS 69 HA HIS 69 15.964 5.456 3.439
593 HB2 HIS 69 HB2 HIS 69 15.159 4.051 5.520
594 HB3 HIS 69 HB3 HIS 69 15.659 5.476 6.420
595 HD1 HIS 69 HD1 HIS 69 12.833 4.057 4.739
596 HD2 HIS 69 HD2 HIS 69 14.248 7.910 5.393
597 HE1 HIS 69 HE1 HIS 69 10.862 5.570 4.362
598 HE2 HIS 69 HE2 HIS 69 11.688 7.867 4.986
599 H HIS 70 H HIS 70 16.646 7.452 2.954
600 HA HIS 70 HA HIS 70 18.326 8.866 4.905
601 HB2 HIS 70 HB2 HIS 70 19.059 10.283 2.987
602 HB3 HIS 70 HB3 HIS 70 19.487 8.588 2.817
603 HD1 HIS 70 HD1 HIS 70 18.662 7.378 0.783
604 HD2 HIS 70 HD2 HIS 70 16.961 11.152 1.217
605 HE1 HIS 70 HE1 HIS 70 17.420 7.815 -1.361
606 HE2 HIS 70 HE2 HIS 70 16.594 10.185 -1.161
607 H HIS 71 H HIS 71 18.040 11.197 5.091
608 HA HIS 71 HA HIS 71 15.186 11.890 4.972
609 HB2 HIS 71 HB2 HIS 71 17.418 12.651 6.805
610 HB3 HIS 71 HB3 HIS 71 16.080 13.772 6.588
611 HD1 HIS 71 HD1 HIS 71 16.834 10.305 7.895
612 HD2 HIS 71 HD2 HIS 71 13.737 13.085 7.859
613 HE1 HIS 71 HE1 HIS 71 15.124 9.444 9.529
614 HE2 HIS 71 HE2 HIS 71 13.186 11.048 9.354
615 H HIS 72 H HIS 72 14.477 13.766 4.084
616 HA HIS 72 HA HIS 72 16.137 15.900 3.232
617 HB2 HIS 72 HB2 HIS 72 16.339 13.794 1.511
618 HB3 HIS 72 HB3 HIS 72 14.966 14.651 0.817
619 HD1 HIS 72 HD1 HIS 72 15.467 16.754 -0.519
620 HD2 HIS 72 HD2 HIS 72 18.761 15.320 1.584
621 HE1 HIS 72 HE1 HIS 72 17.440 18.068 -1.359
622 HE2 HIS 72 HE2 HIS 72 19.382 17.314 0.055
623 H HIS 73 H HIS 73 14.854 17.693 2.808
624 HA HIS 73 HA HIS 73 12.075 17.377 2.159
625 HB2 HIS 73 HB2 HIS 73 11.326 18.655 4.261
626 HB3 HIS 73 HB3 HIS 73 11.656 16.937 4.410
627 HD1 HIS 73 HD1 HIS 73 12.832 16.422 6.510
628 HD2 HIS 73 HD2 HIS 73 13.908 20.160 5.033
629 HE1 HIS 73 HE1 HIS 73 14.491 17.353 8.154
630 HE2 HIS 73 HE2 HIS 73 14.952 19.694 7.350
631 H HIS 74 H HIS 74 13.038 18.641 0.435
632 HA HIS 74 HA HIS 74 12.254 21.355 0.746
633 HB2 HIS 74 HB2 HIS 74 14.609 21.412 1.662
634 HB3 HIS 74 HB3 HIS 74 15.174 20.926 0.066
635 HD1 HIS 74 HD1 HIS 74 16.115 22.917 -1.072
636 HD2 HIS 74 HD2 HIS 74 12.719 23.852 1.139
637 HE1 HIS 74 HE1 HIS 74 15.681 25.355 -1.495
638 HE2 HIS 74 HE2 HIS 74 13.510 25.845 -0.306
Start of MODEL 16
1 H1 MET 1 H1 MET 1 -14.264 14.800 0.061
2 H2 MET 1 H2 MET 1 -14.929 15.442 -1.359
3 H3 MET 1 H3 MET 1 -13.250 15.458 -1.132
4 HA MET 1 HA MET 1 -13.213 13.034 -1.160
5 HB2 MET 1 HB2 MET 1 -16.146 13.391 -1.815
6 HB3 MET 1 HB3 MET 1 -15.264 11.887 -2.025
7 HG2 MET 1 HG2 MET 1 -14.832 11.806 0.375
8 HG3 MET 1 HG3 MET 1 -15.718 13.317 0.583
9 HE1 MET 1 HE1 MET 1 -16.396 10.689 2.249
10 HE2 MET 1 HE2 MET 1 -18.159 10.710 2.175
11 HE3 MET 1 HE3 MET 1 -17.266 12.213 2.414
12 H ASN 2 H ASN 2 -11.937 12.880 -2.893
13 HA ASN 2 HA ASN 2 -12.412 14.216 -5.358
14 HB2 ASN 2 HB2 ASN 2 -10.551 11.983 -4.563
15 HB3 ASN 2 HB3 ASN 2 -10.661 12.537 -6.229
16 HD21 ASN 2 HD21 ASN 2 -8.578 13.270 -6.304
17 HD22 ASN 2 HD22 ASN 2 -8.038 14.669 -5.430
18 H GLN 3 H GLN 3 -12.956 10.925 -4.223
19 HA GLN 3 HA GLN 3 -14.857 10.523 -6.424
20 HB2 GLN 3 HB2 GLN 3 -12.768 8.501 -5.580
21 HB3 GLN 3 HB3 GLN 3 -14.038 8.224 -6.763
22 HG2 GLN 3 HG2 GLN 3 -13.068 9.958 -8.197
23 HG3 GLN 3 HG3 GLN 3 -11.786 10.205 -7.015
24 HE21 GLN 3 HE21 GLN 3 -13.078 8.121 -9.455
25 HE22 GLN 3 HE22 GLN 3 -11.697 7.080 -9.591
26 H ASN 4 H ASN 4 -16.637 9.254 -5.873
27 HA ASN 4 HA ASN 4 -16.726 8.392 -3.050
28 HB2 ASN 4 HB2 ASN 4 -19.012 9.009 -2.907
29 HB3 ASN 4 HB3 ASN 4 -18.210 10.361 -3.697
30 HD21 ASN 4 HD21 ASN 4 -18.519 10.659 -5.957
31 HD22 ASN 4 HD22 ASN 4 -19.909 9.988 -6.752
32 H LEU 5 H LEU 5 -17.085 7.502 -6.331
33 HA LEU 5 HA LEU 5 -18.143 4.874 -5.526
34 HB2 LEU 5 HB2 LEU 5 -18.273 6.266 -8.204
35 HB3 LEU 5 HB3 LEU 5 -18.784 4.612 -7.924
36 HG LEU 5 HG LEU 5 -20.012 7.058 -6.647
37 HD11 LEU 5 HD11 LEU 5 -21.927 6.576 -8.070
38 HD12 LEU 5 HD12 LEU 5 -21.047 5.243 -8.817
39 HD13 LEU 5 HD13 LEU 5 -20.486 6.901 -9.034
40 HD21 LEU 5 HD21 LEU 5 -20.790 4.145 -6.516
41 HD22 LEU 5 HD22 LEU 5 -21.740 5.485 -5.876
42 HD23 LEU 5 HD23 LEU 5 -20.157 5.120 -5.190
43 H GLN 6 H GLN 6 -17.225 3.027 -6.502
44 HA GLN 6 HA GLN 6 -15.529 1.671 -7.112
45 HB2 GLN 6 HB2 GLN 6 -14.607 4.075 -8.693
46 HB3 GLN 6 HB3 GLN 6 -13.926 2.461 -8.837
47 HG2 GLN 6 HG2 GLN 6 -16.165 1.640 -9.521
48 HG3 GLN 6 HG3 GLN 6 -16.732 3.311 -9.509
49 HE21 GLN 6 HE21 GLN 6 -15.999 4.737 -11.076
50 HE22 GLN 6 HE22 GLN 6 -15.247 4.186 -12.534
51 H GLY 7 H GLY 7 -15.298 2.673 -4.640
52 HA2 GLY 7 HA2 GLY 7 -12.726 3.790 -4.106
53 HA3 GLY 7 HA3 GLY 7 -13.779 2.999 -2.938
54 H GLU 8 H GLU 8 -11.600 2.318 -5.627
55 HA GLU 8 HA GLU 8 -11.351 -0.430 -5.315
56 HB2 GLU 8 HB2 GLU 8 -10.527 1.149 -7.193
57 HB3 GLU 8 HB3 GLU 8 -9.070 1.304 -6.223
58 HG2 GLU 8 HG2 GLU 8 -8.594 -0.367 -7.784
59 HG3 GLU 8 HG3 GLU 8 -8.939 -1.229 -6.284
60 H TRP 9 H TRP 9 -9.908 2.153 -3.514
61 HA TRP 9 HA TRP 9 -7.659 0.912 -2.440
62 HB2 TRP 9 HB2 TRP 9 -8.080 3.294 -2.208
63 HB3 TRP 9 HB3 TRP 9 -9.498 2.982 -1.227
64 HD1 TRP 9 HD1 TRP 9 -8.679 4.224 0.911
65 HE1 TRP 9 HE1 TRP 9 -6.836 3.781 2.649
66 HE3 TRP 9 HE3 TRP 9 -6.081 0.571 -1.572
67 HZ2 TRP 9 HZ2 TRP 9 -4.604 2.088 2.936
68 HZ3 TRP 9 HZ3 TRP 9 -4.112 -0.416 -0.478
69 HH2 TRP 9 HH2 TRP 9 -3.390 0.329 1.729
70 H MET 10 H MET 10 -11.026 0.850 -1.346
71 HA MET 10 HA MET 10 -10.617 -0.484 1.092
72 HB2 MET 10 HB2 MET 10 -12.758 0.568 0.398
73 HB3 MET 10 HB3 MET 10 -13.003 -0.742 -0.742
74 HG2 MET 10 HG2 MET 10 -14.319 -1.275 1.114
75 HG3 MET 10 HG3 MET 10 -12.900 -2.311 1.235
76 HE1 MET 10 HE1 MET 10 -10.612 -0.809 2.542
77 HE2 MET 10 HE2 MET 10 -11.239 -2.307 3.229
78 HE3 MET 10 HE3 MET 10 -10.968 -0.906 4.266
79 H LYS 11 H LYS 11 -11.103 -1.685 -2.163
80 HA LYS 11 HA LYS 11 -11.196 -4.442 -1.497
81 HB2 LYS 11 HB2 LYS 11 -12.142 -3.681 -3.565
82 HB3 LYS 11 HB3 LYS 11 -10.622 -2.948 -4.053
83 HG2 LYS 11 HG2 LYS 11 -9.641 -5.261 -4.090
84 HG3 LYS 11 HG3 LYS 11 -11.288 -5.871 -3.884
85 HD2 LYS 11 HD2 LYS 11 -10.233 -4.178 -6.146
86 HD3 LYS 11 HD3 LYS 11 -10.780 -5.857 -6.227
87 HE2 LYS 11 HE2 LYS 11 -13.025 -5.179 -5.663
88 HE3 LYS 11 HE3 LYS 11 -12.507 -3.514 -5.459
89 HZ1 LYS 11 HZ1 LYS 11 -13.607 -4.183 -7.651
90 HZ2 LYS 11 HZ2 LYS 11 -12.111 -4.887 -8.038
91 HZ3 LYS 11 HZ3 LYS 11 -12.209 -3.226 -7.705
92 H ASN 12 H ASN 12 -8.720 -2.480 -3.097
93 HA ASN 12 HA ASN 12 -6.672 -4.342 -3.191
94 HB2 ASN 12 HB2 ASN 12 -6.553 -1.332 -2.958
95 HB3 ASN 12 HB3 ASN 12 -5.133 -2.330 -3.229
96 HD21 ASN 12 HD21 ASN 12 -6.254 -0.280 -4.920
97 HD22 ASN 12 HD22 ASN 12 -6.629 -1.037 -6.427
98 H TYR 13 H TYR 13 -7.702 -2.318 -0.539
99 HA TYR 13 HA TYR 13 -5.501 -2.567 1.158
100 HB2 TYR 13 HB2 TYR 13 -7.421 -1.044 1.527
101 HB3 TYR 13 HB3 TYR 13 -8.428 -2.431 1.922
102 HD1 TYR 13 HD1 TYR 13 -5.200 -0.862 2.972
103 HD2 TYR 13 HD2 TYR 13 -8.706 -2.959 4.154
104 HE1 TYR 13 HE1 TYR 13 -4.521 -0.658 5.325
105 HE2 TYR 13 HE2 TYR 13 -8.037 -2.762 6.511
106 HH TYR 13 HH TYR 13 -5.624 -0.665 7.565
107 H GLU 14 H GLU 14 -8.464 -4.564 1.063
108 HA GLU 14 HA GLU 14 -7.574 -6.409 3.011
109 HB2 GLU 14 HB2 GLU 14 -9.667 -6.668 0.849
110 HB3 GLU 14 HB3 GLU 14 -9.389 -7.886 2.084
111 HG2 GLU 14 HG2 GLU 14 -10.264 -5.041 2.552
112 HG3 GLU 14 HG3 GLU 14 -11.266 -6.486 2.686
113 H GLU 15 H GLU 15 -7.298 -6.334 -0.490
114 HA GLU 15 HA GLU 15 -6.300 -8.952 -0.841
115 HB2 GLU 15 HB2 GLU 15 -7.185 -7.456 -2.649
116 HB3 GLU 15 HB3 GLU 15 -5.708 -6.513 -2.532
117 HG2 GLU 15 HG2 GLU 15 -5.408 -7.948 -4.363
118 HG3 GLU 15 HG3 GLU 15 -4.460 -8.648 -3.052
119 H LEU 16 H LEU 16 -4.712 -5.820 -0.377
120 HA LEU 16 HA LEU 16 -2.057 -6.751 -0.620
121 HB2 LEU 16 HB2 LEU 16 -2.741 -4.380 -0.820
122 HB3 LEU 16 HB3 LEU 16 -3.076 -4.347 0.899
123 HG LEU 16 HG LEU 16 -0.682 -4.829 1.340
124 HD11 LEU 16 HD11 LEU 16 -0.128 -5.950 -0.741
125 HD12 LEU 16 HD12 LEU 16 0.934 -4.568 -0.478
126 HD13 LEU 16 HD13 LEU 16 -0.391 -4.454 -1.636
127 HD21 LEU 16 HD21 LEU 16 -1.509 -2.546 1.402
128 HD22 LEU 16 HD22 LEU 16 -1.238 -2.384 -0.334
129 HD23 LEU 16 HD23 LEU 16 0.131 -2.595 0.758
130 H LYS 17 H LYS 17 -4.187 -6.327 2.179
131 HA LYS 17 HA LYS 17 -2.428 -6.849 4.253
132 HB2 LYS 17 HB2 LYS 17 -5.293 -7.746 3.938
133 HB3 LYS 17 HB3 LYS 17 -4.394 -7.840 5.443
134 HG2 LYS 17 HG2 LYS 17 -4.317 -5.515 5.666
135 HG3 LYS 17 HG3 LYS 17 -4.794 -5.258 3.985
136 HD2 LYS 17 HD2 LYS 17 -6.651 -4.827 5.489
137 HD3 LYS 17 HD3 LYS 17 -6.987 -6.203 4.449
138 HE2 LYS 17 HE2 LYS 17 -6.377 -7.723 6.271
139 HE3 LYS 17 HE3 LYS 17 -6.057 -6.338 7.315
140 HZ1 LYS 17 HZ1 LYS 17 -8.281 -7.368 7.630
141 HZ2 LYS 17 HZ2 LYS 17 -8.693 -6.873 6.060
142 HZ3 LYS 17 HZ3 LYS 17 -8.334 -5.719 7.245
143 H SER 18 H SER 18 -4.501 -9.200 2.613
144 HA SER 18 HA SER 18 -3.352 -11.479 3.774
145 HB2 SER 18 HB2 SER 18 -4.788 -11.259 1.118
146 HB3 SER 18 HB3 SER 18 -4.559 -12.734 2.062
147 HG SER 18 HG SER 18 -6.463 -10.847 2.305
148 H PHE 19 H PHE 19 -2.531 -9.702 0.847
149 HA PHE 19 HA PHE 19 -0.815 -11.619 -0.290
150 HB2 PHE 19 HB2 PHE 19 -1.794 -9.471 -1.322
151 HB3 PHE 19 HB3 PHE 19 -0.434 -8.644 -0.571
152 HD1 PHE 19 HD1 PHE 19 -1.191 -11.528 -2.796
153 HD2 PHE 19 HD2 PHE 19 1.535 -8.430 -1.764
154 HE1 PHE 19 HE1 PHE 19 0.202 -12.107 -4.742
155 HE2 PHE 19 HE2 PHE 19 2.930 -9.005 -3.703
156 HZ PHE 19 HZ PHE 19 2.266 -10.847 -5.197
157 H VAL 20 H VAL 20 -0.115 -8.830 1.822
158 HA VAL 20 HA VAL 20 2.666 -9.446 2.055
159 HB VAL 20 HB VAL 20 0.930 -7.730 3.850
160 HG11 VAL 20 HG11 VAL 20 3.016 -8.449 4.929
161 HG12 VAL 20 HG12 VAL 20 3.006 -6.715 4.600
162 HG13 VAL 20 HG13 VAL 20 3.934 -7.805 3.567
163 HG21 VAL 20 HG21 VAL 20 2.697 -6.976 1.524
164 HG22 VAL 20 HG22 VAL 20 1.855 -5.847 2.588
165 HG23 VAL 20 HG23 VAL 20 0.933 -6.936 1.551
166 H ARG 21 H ARG 21 -0.199 -10.133 3.966
167 HA ARG 21 HA ARG 21 0.933 -11.211 6.256
168 HB2 ARG 21 HB2 ARG 21 -1.395 -10.757 6.190
169 HB3 ARG 21 HB3 ARG 21 -1.636 -11.791 4.791
170 HG2 ARG 21 HG2 ARG 21 -1.224 -13.760 6.161
171 HG3 ARG 21 HG3 ARG 21 -0.937 -12.730 7.568
172 HD2 ARG 21 HD2 ARG 21 -3.184 -11.939 7.538
173 HD3 ARG 21 HD3 ARG 21 -3.497 -12.698 5.980
174 HE ARG 21 HE ARG 21 -2.914 -14.832 7.454
175 HH11 ARG 21 HH11 ARG 21 -4.971 -12.083 8.168
176 HH12 ARG 21 HH12 ARG 21 -6.058 -13.000 9.172
177 HH21 ARG 21 HH21 ARG 21 -4.348 -16.037 8.766
178 HH22 ARG 21 HH22 ARG 21 -5.698 -15.240 9.525
179 H LYS 22 H LYS 22 0.139 -12.845 3.201
180 HA LYS 22 HA LYS 22 1.199 -15.336 4.288
181 HB2 LYS 22 HB2 LYS 22 -0.967 -15.370 3.122
182 HB3 LYS 22 HB3 LYS 22 -0.181 -14.800 1.657
183 HG2 LYS 22 HG2 LYS 22 1.188 -16.838 1.618
184 HG3 LYS 22 HG3 LYS 22 0.330 -17.421 3.045
185 HD2 LYS 22 HD2 LYS 22 -1.774 -17.368 1.802
186 HD3 LYS 22 HD3 LYS 22 -0.916 -16.774 0.378
187 HE2 LYS 22 HE2 LYS 22 0.441 -18.831 0.367
188 HE3 LYS 22 HE3 LYS 22 -0.487 -19.431 1.741
189 HZ1 LYS 22 HZ1 LYS 22 -1.338 -20.368 -0.281
190 HZ2 LYS 22 HZ2 LYS 22 -1.536 -18.834 -0.973
191 HZ3 LYS 22 HZ3 LYS 22 -2.493 -19.294 0.346
192 H TYR 23 H TYR 23 1.787 -13.160 1.509
193 HA TYR 23 HA TYR 23 4.028 -14.892 0.736
194 HB2 TYR 23 HB2 TYR 23 2.648 -12.706 -0.833
195 HB3 TYR 23 HB3 TYR 23 3.933 -13.747 -1.439
196 HD1 TYR 23 HD2 TYR 23 3.489 -16.221 -1.643
197 HD2 TYR 23 HD1 TYR 23 0.395 -13.401 -0.875
198 HE1 TYR 23 HE2 TYR 23 1.814 -17.870 -2.357
199 HE2 TYR 23 HE1 TYR 23 -1.287 -15.049 -1.582
200 HH TYR 23 HH TYR 23 -1.473 -17.036 -2.911
201 H ARG 24 H ARG 24 3.401 -11.941 2.236
202 HA ARG 24 HA ARG 24 4.652 -10.196 2.914
203 HB2 ARG 24 HB2 ARG 24 6.731 -12.265 2.434
204 HB3 ARG 24 HB3 ARG 24 7.274 -10.601 2.617
205 HG2 ARG 24 HG2 ARG 24 5.542 -12.072 4.592
206 HG3 ARG 24 HG3 ARG 24 7.289 -11.844 4.737
207 HD2 ARG 24 HD2 ARG 24 7.026 -9.463 4.841
208 HD3 ARG 24 HD3 ARG 24 5.306 -9.590 4.487
209 HE ARG 24 HE ARG 24 5.210 -10.843 6.703
210 HH11 ARG 24 HH11 ARG 24 7.585 -8.373 5.994
211 HH12 ARG 24 HH12 ARG 24 7.657 -7.778 7.626
212 HH21 ARG 24 HH21 ARG 24 5.297 -10.082 8.866
213 HH22 ARG 24 HH22 ARG 24 6.361 -8.760 9.264
214 H ARG 25 H ARG 25 3.976 -8.743 1.518
215 HA ARG 25 HA ARG 25 3.916 -7.245 -0.149
216 HB2 ARG 25 HB2 ARG 25 5.814 -5.961 -0.484
217 HB3 ARG 25 HB3 ARG 25 6.094 -6.686 1.087
218 HG2 ARG 25 HG2 ARG 25 7.222 -8.129 -1.227
219 HG3 ARG 25 HG3 ARG 25 7.933 -6.559 -0.861
220 HD2 ARG 25 HD2 ARG 25 8.254 -7.331 1.487
221 HD3 ARG 25 HD3 ARG 25 7.693 -8.928 0.990
222 HE ARG 25 HE ARG 25 10.262 -7.713 0.423
223 HH11 ARG 25 HH11 ARG 25 7.966 -10.219 -0.443
224 HH12 ARG 25 HH12 ARG 25 9.168 -11.247 -1.160
225 HH21 ARG 25 HH21 ARG 25 11.843 -9.064 -0.509
226 HH22 ARG 25 HH22 ARG 25 11.371 -10.572 -1.231
227 H PHE 26 H PHE 26 5.274 -6.682 -2.402
228 HA PHE 26 HA PHE 26 4.322 -8.712 -4.157
229 HB2 PHE 26 HB2 PHE 26 6.054 -6.327 -4.828
230 HB3 PHE 26 HB3 PHE 26 5.062 -7.257 -5.946
231 HD1 PHE 26 HD1 PHE 26 2.565 -7.188 -5.685
232 HD2 PHE 26 HD2 PHE 26 5.168 -4.514 -3.641
233 HE1 PHE 26 HE1 PHE 26 0.683 -5.653 -5.303
234 HE2 PHE 26 HE2 PHE 26 3.287 -2.974 -3.249
235 HZ PHE 26 HZ PHE 26 1.039 -3.544 -4.083
236 HA PRO 27 HA PRO 27 8.037 -11.164 -4.632
237 HB2 PRO 27 HB2 PRO 27 7.593 -11.923 -7.255
238 HB3 PRO 27 HB3 PRO 27 6.911 -12.737 -5.845
239 HG2 PRO 27 HG2 PRO 27 5.655 -10.743 -7.678
240 HG3 PRO 27 HG3 PRO 27 4.939 -12.171 -6.909
241 HD2 PRO 27 HD2 PRO 27 4.489 -9.679 -6.000
242 HD3 PRO 27 HD3 PRO 27 4.590 -11.074 -4.906
243 H LYS 28 H LYS 28 7.065 -9.171 -7.407
244 HA LYS 28 HA LYS 28 9.436 -7.576 -7.214
245 HB2 LYS 28 HB2 LYS 28 10.102 -9.671 -8.559
246 HB3 LYS 28 HB3 LYS 28 9.044 -9.048 -9.820
247 HG2 LYS 28 HG2 LYS 28 10.382 -6.960 -9.847
248 HG3 LYS 28 HG3 LYS 28 11.482 -7.696 -8.682
249 HD2 LYS 28 HD2 LYS 28 10.876 -8.782 -11.432
250 HD3 LYS 28 HD3 LYS 28 12.311 -7.850 -10.998
251 HE2 LYS 28 HE2 LYS 28 12.881 -9.607 -9.337
252 HE3 LYS 28 HE3 LYS 28 11.506 -10.550 -9.918
253 HZ1 LYS 28 HZ1 LYS 28 13.505 -11.307 -10.978
254 HZ2 LYS 28 HZ2 LYS 28 13.888 -9.741 -11.498
255 HZ3 LYS 28 HZ3 LYS 28 12.536 -10.541 -12.138
256 H SER 29 H SER 29 6.715 -7.124 -6.926
257 HA SER 29 HA SER 29 5.144 -5.570 -7.407
258 HB2 SER 29 HB2 SER 29 7.128 -4.583 -9.474
259 HB3 SER 29 HB3 SER 29 5.711 -3.705 -8.902
260 HG SER 29 HG SER 29 8.049 -3.510 -7.893
261 H THR 30 H THR 30 3.987 -4.546 -9.515
262 HA THR 30 HA THR 30 2.494 -4.926 -11.135
263 HB THR 30 HB THR 30 4.371 -6.850 -12.443
264 HG1 THR 30 HG1 THR 30 5.829 -5.247 -12.832
265 HG21 THR 30 HG21 THR 30 2.778 -4.465 -13.359
266 HG22 THR 30 HG22 THR 30 2.321 -6.155 -13.573
267 HG23 THR 30 HG23 THR 30 3.739 -5.511 -14.404
268 H GLU 31 H GLU 31 1.859 -6.429 -8.978
269 HA GLU 31 HA GLU 31 0.947 -8.963 -10.157
270 HB2 GLU 31 HB2 GLU 31 1.508 -8.220 -7.288
271 HB3 GLU 31 HB3 GLU 31 0.553 -9.631 -7.718
272 HG2 GLU 31 HG2 GLU 31 3.412 -9.113 -8.499
273 HG3 GLU 31 HG3 GLU 31 2.845 -10.245 -7.271
274 H GLY 32 H GLY 32 -1.019 -8.723 -10.919
275 HA2 GLY 32 HA2 GLY 32 -3.280 -8.346 -10.999
276 HA3 GLY 32 HA3 GLY 32 -3.236 -8.434 -9.247
277 H ASN 33 H ASN 33 -4.710 -6.876 -8.863
278 HA ASN 33 HA ASN 33 -4.747 -4.319 -10.116
279 HB2 ASN 33 HB2 ASN 33 -6.586 -5.650 -8.762
280 HB3 ASN 33 HB3 ASN 33 -5.893 -4.802 -7.386
281 HD21 ASN 33 HD21 ASN 33 -8.534 -4.572 -8.391
282 HD22 ASN 33 HD22 ASN 33 -8.771 -2.925 -8.866
283 H LEU 34 H LEU 34 -3.310 -5.667 -7.250
284 HA LEU 34 HA LEU 34 -2.501 -3.356 -5.901
285 HB2 LEU 34 HB2 LEU 34 -1.173 -6.061 -6.058
286 HB3 LEU 34 HB3 LEU 34 -0.786 -4.822 -4.885
287 HG LEU 34 HG LEU 34 -3.481 -6.163 -5.120
288 HD11 LEU 34 HD11 LEU 34 -2.848 -7.378 -3.104
289 HD12 LEU 34 HD12 LEU 34 -1.247 -6.641 -3.151
290 HD13 LEU 34 HD13 LEU 34 -1.747 -7.745 -4.432
291 HD21 LEU 34 HD21 LEU 34 -3.876 -5.159 -2.917
292 HD22 LEU 34 HD22 LEU 34 -3.606 -3.935 -4.159
293 HD23 LEU 34 HD23 LEU 34 -2.316 -4.336 -3.023
294 H GLY 35 H GLY 35 -1.094 -5.092 -8.603
295 HA2 GLY 35 HA2 GLY 35 1.436 -3.874 -8.655
296 HA3 GLY 35 HA3 GLY 35 0.606 -4.547 -10.050
297 H GLY 36 H GLY 36 -1.647 -2.851 -10.021
298 HA2 GLY 36 HA2 GLY 36 -0.531 -0.534 -11.314
299 HA3 GLY 36 HA3 GLY 36 -2.240 -0.898 -11.114
300 H TRP 37 H TRP 37 -2.141 -1.255 -8.303
301 HA TRP 37 HA TRP 37 -2.521 1.318 -7.277
302 HB2 TRP 37 HB2 TRP 37 -3.298 -0.894 -6.296
303 HB3 TRP 37 HB3 TRP 37 -1.667 -1.084 -5.660
304 HD1 TRP 37 HD1 TRP 37 -4.672 1.286 -5.402
305 HE1 TRP 37 HE1 TRP 37 -4.576 2.481 -3.140
306 HE3 TRP 37 HE3 TRP 37 -0.210 -0.536 -3.735
307 HZ2 TRP 37 HZ2 TRP 37 -2.835 2.611 -0.908
308 HZ3 TRP 37 HZ3 TRP 37 0.604 0.165 -1.524
309 HH2 TRP 37 HH2 TRP 37 -0.684 1.710 -0.139
310 H CYS 38 H CYS 38 0.204 -0.908 -6.804
311 HA CYS 38 HA CYS 38 1.783 0.837 -5.283
312 HB2 CYS 38 HB2 CYS 38 2.147 -1.579 -5.303
313 HB3 CYS 38 HB3 CYS 38 2.610 -1.515 -7.000
314 HG CYS 38 HG CYS 38 4.408 -0.771 -4.259
315 H HIS 39 H HIS 39 1.714 0.210 -8.774
316 HA HIS 39 HA HIS 39 4.043 1.482 -9.546
317 HB2 HIS 39 HB2 HIS 39 1.520 0.756 -10.864
318 HB3 HIS 39 HB3 HIS 39 2.378 2.087 -11.631
319 HD1 HIS 39 HD1 HIS 39 2.172 -1.467 -11.746
320 HD2 HIS 39 HD2 HIS 39 5.258 1.301 -12.062
321 HE1 HIS 39 HE1 HIS 39 4.060 -2.682 -12.872
322 HE2 HIS 39 HE2 HIS 39 5.849 -0.935 -13.222
323 H THR 40 H THR 40 0.875 2.925 -8.966
324 HA THR 40 HA THR 40 1.650 5.522 -9.850
325 HB THR 40 HB THR 40 -0.622 4.954 -7.961
326 HG1 THR 40 HG1 THR 40 -1.657 3.909 -9.491
327 HG21 THR 40 HG21 THR 40 -1.706 6.767 -9.219
328 HG22 THR 40 HG22 THR 40 -0.269 6.920 -10.229
329 HG23 THR 40 HG23 THR 40 -0.179 7.297 -8.508
330 H GLN 41 H GLN 41 1.246 4.030 -6.636
331 HA GLN 41 HA GLN 41 1.764 6.579 -5.400
332 HB2 GLN 41 HB2 GLN 41 0.790 3.950 -4.399
333 HB3 GLN 41 HB3 GLN 41 1.311 5.205 -3.276
334 HG2 GLN 41 HG2 GLN 41 -0.364 6.659 -3.905
335 HG3 GLN 41 HG3 GLN 41 -0.613 5.863 -5.456
336 HE21 GLN 41 HE21 GLN 41 -1.800 3.990 -5.548
337 HE22 GLN 41 HE22 GLN 41 -2.861 3.521 -4.276
338 H ARG 42 H ARG 42 3.682 3.839 -6.179
339 HA ARG 42 HA ARG 42 5.632 4.121 -4.149
340 HB2 ARG 42 HB2 ARG 42 7.185 3.007 -5.715
341 HB3 ARG 42 HB3 ARG 42 5.645 2.171 -5.608
342 HG2 ARG 42 HG2 ARG 42 6.044 2.114 -7.863
343 HG3 ARG 42 HG3 ARG 42 5.053 3.565 -7.729
344 HD2 ARG 42 HD2 ARG 42 7.193 4.883 -7.615
345 HD3 ARG 42 HD3 ARG 42 8.046 3.395 -8.022
346 HE ARG 42 HE ARG 42 6.002 3.864 -9.910
347 HH11 ARG 42 HH11 ARG 42 9.113 5.133 -8.912
348 HH12 ARG 42 HH12 ARG 42 9.539 5.695 -10.508
349 HH21 ARG 42 HH21 ARG 42 6.529 4.628 -11.987
350 HH22 ARG 42 HH22 ARG 42 8.044 5.452 -12.244
351 H LYS 43 H LYS 43 4.836 5.976 -6.919
352 HA LYS 43 HA LYS 43 7.228 7.535 -7.032
353 HB2 LYS 43 HB2 LYS 43 5.829 7.157 -8.981
354 HB3 LYS 43 HB3 LYS 43 4.449 7.864 -8.160
355 HG2 LYS 43 HG2 LYS 43 5.909 9.984 -8.040
356 HG3 LYS 43 HG3 LYS 43 6.843 9.197 -9.320
357 HD2 LYS 43 HD2 LYS 43 3.894 9.810 -9.350
358 HD3 LYS 43 HD3 LYS 43 5.148 10.599 -10.291
359 HE2 LYS 43 HE2 LYS 43 4.637 7.656 -10.496
360 HE3 LYS 43 HE3 LYS 43 3.734 8.822 -11.453
361 HZ1 LYS 43 HZ1 LYS 43 5.683 7.889 -12.619
362 HZ2 LYS 43 HZ2 LYS 43 6.700 8.585 -11.451
363 HZ3 LYS 43 HZ3 LYS 43 5.767 9.575 -12.462
364 H MET 44 H MET 44 3.910 7.996 -5.874
365 HA MET 44 HA MET 44 4.198 10.563 -4.799
366 HB2 MET 44 HB2 MET 44 2.427 8.441 -3.589
367 HB3 MET 44 HB3 MET 44 2.159 10.179 -3.647
368 HG2 MET 44 HG2 MET 44 2.016 8.225 -5.924
369 HG3 MET 44 HG3 MET 44 0.691 9.139 -5.204
370 HE1 MET 44 HE1 MET 44 1.345 10.465 -8.922
371 HE2 MET 44 HE2 MET 44 0.186 9.631 -7.886
372 HE3 MET 44 HE3 MET 44 1.705 8.845 -8.319
373 H ARG 45 H ARG 45 4.982 7.411 -3.536
374 HA ARG 45 HA ARG 45 5.569 8.035 -0.874
375 HB2 ARG 45 HB2 ARG 45 5.528 5.761 -1.456
376 HB3 ARG 45 HB3 ARG 45 6.613 5.990 -2.813
377 HG2 ARG 45 HG2 ARG 45 7.753 4.794 -1.078
378 HG3 ARG 45 HG3 ARG 45 8.459 6.403 -1.223
379 HD2 ARG 45 HD2 ARG 45 7.269 7.148 0.738
380 HD3 ARG 45 HD3 ARG 45 6.405 5.611 0.837
381 HE ARG 45 HE ARG 45 8.937 4.779 0.979
382 HH11 ARG 45 HH11 ARG 45 7.331 7.393 2.677
383 HH12 ARG 45 HH12 ARG 45 8.350 7.273 4.077
384 HH21 ARG 45 HH21 ARG 45 10.271 4.625 2.789
385 HH22 ARG 45 HH22 ARG 45 10.037 5.691 4.147
386 H LYS 46 H LYS 46 7.602 8.213 -3.765
387 HA LYS 46 HA LYS 46 9.925 9.084 -2.357
388 HB2 LYS 46 HB2 LYS 46 9.588 8.022 -4.782
389 HB3 LYS 46 HB3 LYS 46 9.551 9.715 -5.251
390 HG2 LYS 46 HG2 LYS 46 11.787 8.417 -3.707
391 HG3 LYS 46 HG3 LYS 46 11.785 8.681 -5.449
392 HD2 LYS 46 HD2 LYS 46 11.453 10.907 -3.450
393 HD3 LYS 46 HD3 LYS 46 13.019 10.393 -4.062
394 HE2 LYS 46 HE2 LYS 46 10.718 11.445 -5.696
395 HE3 LYS 46 HE3 LYS 46 12.203 12.311 -5.310
396 HZ1 LYS 46 HZ1 LYS 46 12.624 11.520 -7.412
397 HZ2 LYS 46 HZ2 LYS 46 11.789 10.066 -7.166
398 HZ3 LYS 46 HZ3 LYS 46 13.319 10.292 -6.464
399 H GLN 47 H GLN 47 7.423 10.677 -4.260
400 HA GLN 47 HA GLN 47 8.412 13.306 -4.047
401 HB2 GLN 47 HB2 GLN 47 5.595 12.316 -4.490
402 HB3 GLN 47 HB3 GLN 47 6.098 13.989 -4.672
403 HG2 GLN 47 HG2 GLN 47 7.702 13.255 -6.415
404 HG3 GLN 47 HG3 GLN 47 7.025 11.631 -6.289
405 HE21 GLN 47 HE21 GLN 47 4.913 11.263 -7.008
406 HE22 GLN 47 HE22 GLN 47 4.119 12.355 -8.086
407 H GLY 48 H GLY 48 6.955 11.316 -1.714
408 HA2 GLY 48 HA2 GLY 48 6.541 11.704 0.514
409 HA3 GLY 48 HA3 GLY 48 7.173 13.329 0.290
410 H LYS 49 H LYS 49 4.540 12.111 -1.635
411 HA LYS 49 HA LYS 49 2.805 14.098 -0.330
412 HB2 LYS 49 HB2 LYS 49 1.581 14.193 -2.486
413 HB3 LYS 49 HB3 LYS 49 3.256 14.716 -2.609
414 HG2 LYS 49 HG2 LYS 49 3.891 12.666 -3.651
415 HG3 LYS 49 HG3 LYS 49 2.303 11.959 -3.340
416 HD2 LYS 49 HD2 LYS 49 2.865 14.330 -5.124
417 HD3 LYS 49 HD3 LYS 49 2.518 12.685 -5.667
418 HE2 LYS 49 HE2 LYS 49 0.323 12.792 -4.615
419 HE3 LYS 49 HE3 LYS 49 0.670 14.421 -4.041
420 HZ1 LYS 49 HZ1 LYS 49 -0.624 14.656 -5.975
421 HZ2 LYS 49 HZ2 LYS 49 0.278 13.514 -6.832
422 HZ3 LYS 49 HZ3 LYS 49 0.961 15.019 -6.460
423 H LEU 50 H LEU 50 3.301 10.855 -0.653
424 HA LEU 50 HA LEU 50 0.741 9.736 -0.795
425 HB2 LEU 50 HB2 LEU 50 3.396 8.943 0.094
426 HB3 LEU 50 HB3 LEU 50 2.147 8.222 1.081
427 HG LEU 50 HG LEU 50 2.469 7.927 -1.907
428 HD11 LEU 50 HD11 LEU 50 4.093 6.669 -0.602
429 HD12 LEU 50 HD12 LEU 50 2.921 5.584 -1.350
430 HD13 LEU 50 HD13 LEU 50 2.795 5.970 0.367
431 HD21 LEU 50 HD21 LEU 50 0.620 6.351 -1.786
432 HD22 LEU 50 HD22 LEU 50 0.103 7.959 -1.275
433 HD23 LEU 50 HD23 LEU 50 0.411 6.705 -0.071
434 HA PRO 51 HA PRO 51 -1.075 11.154 3.044
435 HB2 PRO 51 HB2 PRO 51 -2.819 8.798 2.897
436 HB3 PRO 51 HB3 PRO 51 -3.243 10.511 2.824
437 HG2 PRO 51 HG2 PRO 51 -3.384 8.914 0.664
438 HG3 PRO 51 HG3 PRO 51 -2.939 10.627 0.545
439 HD2 PRO 51 HD2 PRO 51 -1.181 8.205 0.479
440 HD3 PRO 51 HD3 PRO 51 -1.096 9.689 -0.484
441 H ASN 52 H ASN 52 -0.443 10.851 5.032
442 HA ASN 52 HA ASN 52 1.059 8.680 5.937
443 HB2 ASN 52 HB2 ASN 52 1.262 10.792 7.043
444 HB3 ASN 52 HB3 ASN 52 -0.456 10.824 7.430
445 HD21 ASN 52 HD21 ASN 52 -1.212 9.668 9.163
446 HD22 ASN 52 HD22 ASN 52 -0.172 8.916 10.310
447 H ASP 53 H ASP 53 -2.402 9.318 6.095
448 HA ASP 53 HA ASP 53 -3.278 7.352 7.838
449 HB2 ASP 53 HB2 ASP 53 -4.524 8.139 5.188
450 HB3 ASP 53 HB3 ASP 53 -5.326 7.189 6.428
451 H ARG 54 H ARG 54 -2.762 7.072 4.368
452 HA ARG 54 HA ARG 54 -3.228 4.298 4.196
453 HB2 ARG 54 HB2 ARG 54 -3.389 5.990 2.348
454 HB3 ARG 54 HB3 ARG 54 -1.631 6.022 2.308
455 HG2 ARG 54 HG2 ARG 54 -1.513 3.787 1.577
456 HG3 ARG 54 HG3 ARG 54 -3.224 3.510 1.925
457 HD2 ARG 54 HD2 ARG 54 -2.276 5.557 -0.054
458 HD3 ARG 54 HD3 ARG 54 -2.602 3.883 -0.493
459 HE ARG 54 HE ARG 54 -4.902 4.421 0.573
460 HH11 ARG 54 HH11 ARG 54 -2.982 6.570 -1.407
461 HH12 ARG 54 HH12 ARG 54 -4.342 7.519 -1.926
462 HH21 ARG 54 HH21 ARG 54 -6.699 5.632 -0.129
463 HH22 ARG 54 HH22 ARG 54 -6.473 6.964 -1.221
464 H ARG 55 H ARG 55 -0.258 6.209 4.137
465 HA ARG 55 HA ARG 55 1.642 4.233 4.014
466 HB2 ARG 55 HB2 ARG 55 2.170 6.623 3.966
467 HB3 ARG 55 HB3 ARG 55 1.722 6.776 5.656
468 HG2 ARG 55 HG2 ARG 55 3.885 4.868 4.918
469 HG3 ARG 55 HG3 ARG 55 4.232 6.598 4.920
470 HD2 ARG 55 HD2 ARG 55 3.595 6.784 7.227
471 HD3 ARG 55 HD3 ARG 55 3.020 5.118 7.249
472 HE ARG 55 HE ARG 55 5.730 5.112 6.526
473 HH11 ARG 55 HH11 ARG 55 3.731 5.893 9.288
474 HH12 ARG 55 HH12 ARG 55 4.933 5.434 10.454
475 HH21 ARG 55 HH21 ARG 55 7.317 4.501 8.055
476 HH22 ARG 55 HH22 ARG 55 6.966 4.624 9.756
477 H LEU 56 H LEU 56 -0.137 5.322 6.888
478 HA LEU 56 HA LEU 56 1.331 3.694 8.708
479 HB2 LEU 56 HB2 LEU 56 -0.037 5.746 9.266
480 HB3 LEU 56 HB3 LEU 56 -1.466 4.745 9.089
481 HG LEU 56 HG LEU 56 -0.664 3.293 10.915
482 HD11 LEU 56 HD11 LEU 56 1.216 3.998 12.294
483 HD12 LEU 56 HD12 LEU 56 1.538 5.334 11.187
484 HD13 LEU 56 HD13 LEU 56 1.735 3.668 10.639
485 HD21 LEU 56 HD21 LEU 56 -2.180 5.130 11.414
486 HD22 LEU 56 HD22 LEU 56 -0.809 6.223 11.611
487 HD23 LEU 56 HD23 LEU 56 -1.038 4.884 12.736
488 H LEU 57 H LEU 57 -1.608 3.223 6.831
489 HA LEU 57 HA LEU 57 -2.520 0.873 8.073
490 HB2 LEU 57 HB2 LEU 57 -2.810 1.666 5.173
491 HB3 LEU 57 HB3 LEU 57 -3.785 0.480 6.019
492 HG LEU 57 HG LEU 57 -3.727 3.451 6.550
493 HD11 LEU 57 HD11 LEU 57 -6.028 3.397 5.750
494 HD12 LEU 57 HD12 LEU 57 -5.874 1.675 5.406
495 HD13 LEU 57 HD13 LEU 57 -4.907 2.843 4.508
496 HD21 LEU 57 HD21 LEU 57 -4.052 2.198 8.616
497 HD22 LEU 57 HD22 LEU 57 -5.370 1.296 7.866
498 HD23 LEU 57 HD23 LEU 57 -5.530 3.033 8.132
499 H LEU 58 H LEU 58 -0.315 1.384 5.361
500 HA LEU 58 HA LEU 58 0.078 -1.359 4.777
501 HB2 LEU 58 HB2 LEU 58 1.524 1.160 4.084
502 HB3 LEU 58 HB3 LEU 58 2.305 -0.379 3.781
503 HG LEU 58 HG LEU 58 0.394 -1.045 2.352
504 HD11 LEU 58 HD11 LEU 58 -1.347 0.332 3.349
505 HD12 LEU 58 HD12 LEU 58 -1.203 0.652 1.619
506 HD13 LEU 58 HD13 LEU 58 -0.528 1.789 2.788
507 HD21 LEU 58 HD21 LEU 58 0.952 0.416 0.483
508 HD22 LEU 58 HD22 LEU 58 2.397 -0.053 1.378
509 HD23 LEU 58 HD23 LEU 58 1.709 1.556 1.594
510 H ASP 59 H ASP 59 1.769 0.907 6.885
511 HA ASP 59 HA ASP 59 3.891 -0.887 7.517
512 HB2 ASP 59 HB2 ASP 59 3.914 1.641 7.799
513 HB3 ASP 59 HB3 ASP 59 2.934 1.396 9.242
514 H LYS 60 H LYS 60 0.683 -0.349 8.753
515 HA LYS 60 HA LYS 60 0.933 -1.688 11.205
516 HB2 LYS 60 HB2 LYS 60 -0.891 -0.098 10.448
517 HB3 LYS 60 HB3 LYS 60 -1.542 -1.418 9.492
518 HG2 LYS 60 HG2 LYS 60 -1.119 -1.663 12.444
519 HG3 LYS 60 HG3 LYS 60 -2.587 -0.963 11.762
520 HD2 LYS 60 HD2 LYS 60 -1.545 -3.695 11.049
521 HD3 LYS 60 HD3 LYS 60 -2.721 -3.390 12.313
522 HE2 LYS 60 HE2 LYS 60 -4.160 -2.280 10.586
523 HE3 LYS 60 HE3 LYS 60 -3.022 -2.862 9.370
524 HZ1 LYS 60 HZ1 LYS 60 -4.915 -4.348 9.593
525 HZ2 LYS 60 HZ2 LYS 60 -4.586 -4.570 11.241
526 HZ3 LYS 60 HZ3 LYS 60 -3.489 -5.134 10.073
527 H ILE 61 H ILE 61 -0.110 -2.756 7.966
528 HA ILE 61 HA ILE 61 -0.632 -5.430 8.831
529 HB ILE 61 HB ILE 61 -0.816 -5.992 6.437
530 HG12 ILE 61 HG12 ILE 61 -0.169 -3.080 5.954
531 HG13 ILE 61 HG13 ILE 61 0.929 -4.413 5.624
532 HG21 ILE 61 HG21 ILE 61 -2.738 -5.135 7.651
533 HG22 ILE 61 HG22 ILE 61 -2.767 -4.601 5.970
534 HG23 ILE 61 HG23 ILE 61 -2.275 -3.482 7.242
535 HD11 ILE 61 HD11 ILE 61 -0.632 -5.304 3.980
536 HD12 ILE 61 HD12 ILE 61 -0.172 -3.645 3.601
537 HD13 ILE 61 HD13 ILE 61 -1.748 -3.980 4.318
538 H GLY 62 H GLY 62 2.191 -3.731 7.767
539 HA2 GLY 62 HA2 GLY 62 4.312 -4.663 8.496
540 HA3 GLY 62 HA3 GLY 62 3.687 -6.255 8.096
541 H PHE 63 H PHE 63 3.293 -3.459 6.024
542 HA PHE 63 HA PHE 63 4.572 -4.809 3.847
543 HB2 PHE 63 HB2 PHE 63 2.662 -3.317 3.474
544 HB3 PHE 63 HB3 PHE 63 3.586 -1.958 4.096
545 HD1 PHE 63 HD2 PHE 63 3.668 -4.538 1.412
546 HD2 PHE 63 HD1 PHE 63 4.745 -0.604 2.629
547 HE1 PHE 63 HE2 PHE 63 4.486 -4.061 -0.861
548 HE2 PHE 63 HE1 PHE 63 5.558 -0.120 0.360
549 HZ PHE 63 HZ PHE 63 5.431 -1.850 -1.389
550 H VAL 64 H VAL 64 6.600 -4.691 3.194
551 HA VAL 64 HA VAL 64 8.535 -3.332 4.795
552 HB VAL 64 HB VAL 64 8.906 -5.573 3.762
553 HG11 VAL 64 HG11 VAL 64 9.150 -4.020 1.195
554 HG12 VAL 64 HG12 VAL 64 7.892 -5.188 1.596
555 HG13 VAL 64 HG13 VAL 64 9.563 -5.718 1.415
556 HG21 VAL 64 HG21 VAL 64 11.235 -5.167 3.090
557 HG22 VAL 64 HG22 VAL 64 10.792 -4.305 4.561
558 HG23 VAL 64 HG23 VAL 64 10.896 -3.436 3.031
559 H TRP 65 H TRP 65 9.591 -1.462 4.367
560 HA TRP 65 HA TRP 65 8.509 0.146 2.201
561 HB2 TRP 65 HB2 TRP 65 10.277 0.861 4.543
562 HB3 TRP 65 HB3 TRP 65 9.735 2.015 3.323
563 HD1 TRP 65 HD1 TRP 65 8.733 0.593 6.582
564 HE1 TRP 65 HE1 TRP 65 6.297 1.217 7.146
565 HE3 TRP 65 HE3 TRP 65 7.280 2.328 2.003
566 HZ2 TRP 65 HZ2 TRP 65 4.054 2.309 5.802
567 HZ3 TRP 65 HZ3 TRP 65 4.977 3.140 1.720
568 HH2 TRP 65 HH2 TRP 65 3.395 3.132 3.579
569 H SER 66 H SER 66 11.223 -1.770 2.784
570 HA SER 66 HA SER 66 12.806 -0.338 0.795
571 HB2 SER 66 HB2 SER 66 14.439 -2.316 1.406
572 HB3 SER 66 HB3 SER 66 14.274 -0.914 2.463
573 HG SER 66 HG SER 66 14.024 -3.308 3.250
574 H LEU 67 H LEU 67 11.358 -0.810 -0.897
575 HA LEU 67 HA LEU 67 11.233 -3.572 -1.839
576 HB2 LEU 67 HB2 LEU 67 9.283 -1.849 -1.855
577 HB3 LEU 67 HB3 LEU 67 10.094 -1.159 -3.244
578 HG LEU 67 HG LEU 67 9.253 -4.051 -3.159
579 HD11 LEU 67 HD11 LEU 67 7.249 -3.395 -4.385
580 HD12 LEU 67 HD12 LEU 67 7.677 -1.696 -4.188
581 HD13 LEU 67 HD13 LEU 67 7.277 -2.674 -2.776
582 HD21 LEU 67 HD21 LEU 67 9.807 -2.169 -5.451
583 HD22 LEU 67 HD22 LEU 67 9.352 -3.868 -5.582
584 HD23 LEU 67 HD23 LEU 67 10.900 -3.420 -4.866
585 H GLU 68 H GLU 68 12.744 -4.313 -3.206
586 HA GLU 68 HA GLU 68 14.604 -4.399 -4.521
587 HB2 GLU 68 HB2 GLU 68 13.549 -1.744 -5.521
588 HB3 GLU 68 HB3 GLU 68 14.891 -2.612 -6.248
589 HG2 GLU 68 HG2 GLU 68 13.441 -4.429 -6.859
590 HG3 GLU 68 HG3 GLU 68 12.089 -3.674 -6.015
591 H HIS 69 H HIS 69 16.296 -2.292 -5.378
592 HA HIS 69 HA HIS 69 17.943 -0.877 -4.768
593 HB2 HIS 69 HB2 HIS 69 16.224 -0.378 -2.332
594 HB3 HIS 69 HB3 HIS 69 17.664 0.545 -2.743
595 HD1 HIS 69 HD1 HIS 69 17.401 2.417 -4.418
596 HD2 HIS 69 HD2 HIS 69 14.044 -0.018 -4.158
597 HE1 HIS 69 HE1 HIS 69 15.620 3.568 -5.770
598 HE2 HIS 69 HE2 HIS 69 13.705 1.930 -5.814
599 H HIS 70 H HIS 70 19.921 -1.100 -3.909
600 HA HIS 70 HA HIS 70 20.294 -2.559 -1.441
601 HB2 HIS 70 HB2 HIS 70 21.913 -4.178 -2.478
602 HB3 HIS 70 HB3 HIS 70 20.232 -4.449 -2.912
603 HD1 HIS 70 HD1 HIS 70 19.584 -4.190 -5.382
604 HD2 HIS 70 HD2 HIS 70 23.590 -3.370 -4.601
605 HE1 HIS 70 HE1 HIS 70 20.707 -4.083 -7.628
606 HE2 HIS 70 HE2 HIS 70 23.157 -3.808 -7.116
607 H HIS 71 H HIS 71 21.672 -1.418 -0.329
608 HA HIS 71 HA HIS 71 23.781 0.073 -1.752
609 HB2 HIS 71 HB2 HIS 71 22.100 1.316 -0.287
610 HB3 HIS 71 HB3 HIS 71 22.851 0.521 1.090
611 HD1 HIS 71 HD1 HIS 71 24.977 1.545 1.999
612 HD2 HIS 71 HD2 HIS 71 23.809 3.164 -1.657
613 HE1 HIS 71 HE1 HIS 71 26.472 3.538 1.622
614 HE2 HIS 71 HE2 HIS 71 25.788 4.472 -0.620
615 H HIS 72 H HIS 72 25.915 -0.244 -1.199
616 HA HIS 72 HA HIS 72 26.517 -2.804 -0.095
617 HB2 HIS 72 HB2 HIS 72 28.216 -0.534 -1.096
618 HB3 HIS 72 HB3 HIS 72 28.938 -1.940 -0.327
619 HD1 HIS 72 HD1 HIS 72 28.197 -0.704 -3.554
620 HD2 HIS 72 HD2 HIS 72 27.907 -4.432 -1.732
621 HE1 HIS 72 HE1 HIS 72 28.132 -2.378 -5.430
622 HE2 HIS 72 HE2 HIS 72 27.833 -4.614 -4.312
623 H HIS 73 H HIS 73 26.401 -3.214 1.974
624 HA HIS 73 HA HIS 73 27.603 -1.293 3.853
625 HB2 HIS 73 HB2 HIS 73 25.201 -1.855 4.281
626 HB3 HIS 73 HB3 HIS 73 25.667 -3.539 4.483
627 HD1 HIS 73 HD1 HIS 73 24.452 -2.976 6.901
628 HD2 HIS 73 HD2 HIS 73 28.227 -1.363 6.222
629 HE1 HIS 73 HE1 HIS 73 25.362 -2.385 9.170
630 HE2 HIS 73 HE2 HIS 73 27.708 -1.572 8.747
631 H HIS 74 H HIS 74 29.692 -1.999 3.377
632 HA HIS 74 HA HIS 74 30.451 -4.552 4.553
633 HB2 HIS 74 HB2 HIS 74 30.061 -5.067 2.180
634 HB3 HIS 74 HB3 HIS 74 31.143 -3.763 1.706
635 HD1 HIS 74 HD1 HIS 74 31.109 -7.280 2.919
636 HD2 HIS 74 HD2 HIS 74 33.893 -4.315 2.047
637 HE1 HIS 74 HE1 HIS 74 33.338 -8.443 2.826
638 HE2 HIS 74 HE2 HIS 74 34.982 -6.662 2.125
Start of MODEL 17
1 H1 MET 1 H1 MET 1 -15.741 -5.096 -19.552
2 H2 MET 1 H2 MET 1 -14.133 -5.618 -19.419
3 H3 MET 1 H3 MET 1 -14.480 -3.964 -19.553
4 HA MET 1 HA MET 1 -15.310 -5.694 -17.300
5 HB2 MET 1 HB2 MET 1 -12.881 -5.381 -17.306
6 HB3 MET 1 HB3 MET 1 -13.092 -3.642 -17.470
7 HG2 MET 1 HG2 MET 1 -14.201 -3.581 -15.281
8 HG3 MET 1 HG3 MET 1 -13.936 -5.316 -15.114
9 HE1 MET 1 HE1 MET 1 -13.017 -3.008 -13.019
10 HE2 MET 1 HE2 MET 1 -11.452 -3.664 -12.540
11 HE3 MET 1 HE3 MET 1 -12.835 -4.741 -12.736
12 H ASN 2 H ASN 2 -17.214 -4.927 -16.660
13 HA ASN 2 HA ASN 2 -17.998 -2.203 -17.030
14 HB2 ASN 2 HB2 ASN 2 -19.238 -4.496 -15.512
15 HB3 ASN 2 HB3 ASN 2 -19.933 -2.882 -15.500
16 HD21 ASN 2 HD21 ASN 2 -21.798 -3.451 -16.509
17 HD22 ASN 2 HD22 ASN 2 -21.873 -3.925 -18.171
18 H GLN 3 H GLN 3 -17.912 -0.525 -15.656
19 HA GLN 3 HA GLN 3 -16.199 -0.758 -13.362
20 HB2 GLN 3 HB2 GLN 3 -17.829 1.602 -14.322
21 HB3 GLN 3 HB3 GLN 3 -16.541 1.653 -13.125
22 HG2 GLN 3 HG2 GLN 3 -14.954 0.880 -14.846
23 HG3 GLN 3 HG3 GLN 3 -16.254 0.940 -16.033
24 HE21 GLN 3 HE21 GLN 3 -17.054 2.939 -16.694
25 HE22 GLN 3 HE22 GLN 3 -16.189 4.415 -16.414
26 H ASN 4 H ASN 4 -16.950 -1.718 -11.627
27 HA ASN 4 HA ASN 4 -19.758 -1.562 -10.916
28 HB2 ASN 4 HB2 ASN 4 -18.803 -3.751 -10.838
29 HB3 ASN 4 HB3 ASN 4 -17.438 -3.194 -9.879
30 HD21 ASN 4 HD21 ASN 4 -17.642 -3.004 -7.695
31 HD22 ASN 4 HD22 ASN 4 -19.038 -3.542 -6.821
32 H LEU 5 H LEU 5 -20.264 0.287 -9.931
33 HA LEU 5 HA LEU 5 -20.500 1.797 -8.267
34 HB2 LEU 5 HB2 LEU 5 -19.204 -0.473 -6.812
35 HB3 LEU 5 HB3 LEU 5 -19.466 1.049 -5.984
36 HG LEU 5 HG LEU 5 -21.900 0.853 -6.499
37 HD11 LEU 5 HD11 LEU 5 -22.773 -1.318 -7.202
38 HD12 LEU 5 HD12 LEU 5 -21.125 -1.900 -7.440
39 HD13 LEU 5 HD13 LEU 5 -21.753 -0.597 -8.447
40 HD21 LEU 5 HD21 LEU 5 -20.672 -1.436 -4.974
41 HD22 LEU 5 HD22 LEU 5 -22.337 -0.872 -4.824
42 HD23 LEU 5 HD23 LEU 5 -21.003 0.175 -4.340
43 H GLN 6 H GLN 6 -18.681 2.274 -6.075
44 HA GLN 6 HA GLN 6 -16.267 3.272 -7.357
45 HB2 GLN 6 HB2 GLN 6 -16.662 5.542 -6.385
46 HB3 GLN 6 HB3 GLN 6 -17.783 5.118 -7.673
47 HG2 GLN 6 HG2 GLN 6 -19.464 4.525 -5.987
48 HG3 GLN 6 HG3 GLN 6 -18.344 5.012 -4.717
49 HE21 GLN 6 HE21 GLN 6 -20.421 6.071 -7.274
50 HE22 GLN 6 HE22 GLN 6 -20.433 7.751 -6.848
51 H GLY 7 H GLY 7 -14.788 4.249 -5.671
52 HA2 GLY 7 HA2 GLY 7 -13.953 4.289 -3.464
53 HA3 GLY 7 HA3 GLY 7 -15.265 3.225 -2.970
54 H GLU 8 H GLU 8 -12.972 2.871 -5.632
55 HA GLU 8 HA GLU 8 -12.590 0.124 -5.173
56 HB2 GLU 8 HB2 GLU 8 -12.241 1.166 -7.366
57 HB3 GLU 8 HB3 GLU 8 -10.859 2.051 -6.735
58 HG2 GLU 8 HG2 GLU 8 -9.774 -0.151 -6.254
59 HG3 GLU 8 HG3 GLU 8 -11.111 -0.924 -7.103
60 H TRP 9 H TRP 9 -11.116 2.880 -3.738
61 HA TRP 9 HA TRP 9 -8.603 1.897 -3.049
62 HB2 TRP 9 HB2 TRP 9 -10.014 4.207 -2.521
63 HB3 TRP 9 HB3 TRP 9 -9.873 3.468 -0.928
64 HD1 TRP 9 HD1 TRP 9 -8.155 5.930 -2.821
65 HE1 TRP 9 HE1 TRP 9 -5.640 6.073 -2.266
66 HE3 TRP 9 HE3 TRP 9 -7.617 1.463 -0.399
67 HZ2 TRP 9 HZ2 TRP 9 -3.693 4.473 -0.967
68 HZ3 TRP 9 HZ3 TRP 9 -5.403 0.839 0.459
69 HH2 TRP 9 HH2 TRP 9 -3.488 2.310 0.183
70 H MET 10 H MET 10 -11.687 1.646 -1.280
71 HA MET 10 HA MET 10 -10.804 0.200 0.928
72 HB2 MET 10 HB2 MET 10 -13.067 1.116 0.751
73 HB3 MET 10 HB3 MET 10 -13.441 -0.009 -0.540
74 HG2 MET 10 HG2 MET 10 -14.450 -0.960 1.305
75 HG3 MET 10 HG3 MET 10 -12.933 -1.842 1.181
76 HE1 MET 10 HE1 MET 10 -10.856 -0.508 4.165
77 HE2 MET 10 HE2 MET 10 -10.719 -0.176 2.436
78 HE3 MET 10 HE3 MET 10 -11.050 -1.816 2.998
79 H LYS 11 H LYS 11 -11.822 -0.893 -2.252
80 HA LYS 11 HA LYS 11 -11.682 -3.661 -1.727
81 HB2 LYS 11 HB2 LYS 11 -12.925 -2.486 -3.599
82 HB3 LYS 11 HB3 LYS 11 -11.379 -2.294 -4.407
83 HG2 LYS 11 HG2 LYS 11 -12.346 -5.005 -3.595
84 HG3 LYS 11 HG3 LYS 11 -12.931 -4.242 -5.072
85 HD2 LYS 11 HD2 LYS 11 -10.037 -4.761 -4.399
86 HD3 LYS 11 HD3 LYS 11 -11.026 -5.737 -5.486
87 HE2 LYS 11 HE2 LYS 11 -11.340 -3.769 -6.930
88 HE3 LYS 11 HE3 LYS 11 -10.312 -2.829 -5.849
89 HZ1 LYS 11 HZ1 LYS 11 -9.497 -5.200 -7.445
90 HZ2 LYS 11 HZ2 LYS 11 -8.506 -4.413 -6.317
91 HZ3 LYS 11 HZ3 LYS 11 -9.029 -3.590 -7.709
92 H ASN 12 H ASN 12 -9.374 -1.368 -3.162
93 HA ASN 12 HA ASN 12 -7.342 -3.255 -3.714
94 HB2 ASN 12 HB2 ASN 12 -7.195 -0.278 -3.204
95 HB3 ASN 12 HB3 ASN 12 -5.834 -1.247 -3.744
96 HD21 ASN 12 HD21 ASN 12 -7.114 0.995 -5.051
97 HD22 ASN 12 HD22 ASN 12 -7.666 0.424 -6.584
98 H TYR 13 H TYR 13 -8.203 -1.425 -0.861
99 HA TYR 13 HA TYR 13 -5.830 -1.818 0.601
100 HB2 TYR 13 HB2 TYR 13 -7.452 -0.145 1.285
101 HB3 TYR 13 HB3 TYR 13 -8.665 -1.388 1.574
102 HD1 TYR 13 HD1 TYR 13 -5.418 -0.051 2.773
103 HD2 TYR 13 HD2 TYR 13 -8.760 -2.538 3.641
104 HE1 TYR 13 HE1 TYR 13 -4.663 -0.251 5.105
105 HE2 TYR 13 HE2 TYR 13 -8.009 -2.740 5.971
106 HH TYR 13 HH TYR 13 -5.824 -0.752 7.378
107 H GLU 14 H GLU 14 -8.918 -3.612 0.675
108 HA GLU 14 HA GLU 14 -8.085 -5.466 2.625
109 HB2 GLU 14 HB2 GLU 14 -10.036 -6.839 1.819
110 HB3 GLU 14 HB3 GLU 14 -10.422 -5.191 2.294
111 HG2 GLU 14 HG2 GLU 14 -10.426 -4.532 -0.067
112 HG3 GLU 14 HG3 GLU 14 -10.088 -6.202 -0.519
113 H GLU 15 H GLU 15 -7.776 -5.456 -0.876
114 HA GLU 15 HA GLU 15 -6.994 -8.141 -1.201
115 HB2 GLU 15 HB2 GLU 15 -6.268 -5.683 -2.794
116 HB3 GLU 15 HB3 GLU 15 -5.847 -7.319 -3.276
117 HG2 GLU 15 HG2 GLU 15 -8.284 -7.859 -3.261
118 HG3 GLU 15 HG3 GLU 15 -8.596 -6.141 -3.000
119 H LEU 16 H LEU 16 -5.169 -5.235 -0.397
120 HA LEU 16 HA LEU 16 -2.620 -6.565 -0.688
121 HB2 LEU 16 HB2 LEU 16 -3.238 -4.037 -1.043
122 HB3 LEU 16 HB3 LEU 16 -3.029 -3.930 0.689
123 HG LEU 16 HG LEU 16 -0.864 -4.928 -1.155
124 HD11 LEU 16 HD11 LEU 16 0.120 -2.715 -0.977
125 HD12 LEU 16 HD12 LEU 16 -1.281 -2.152 -0.067
126 HD13 LEU 16 HD13 LEU 16 -1.463 -2.643 -1.750
127 HD21 LEU 16 HD21 LEU 16 0.609 -4.418 0.712
128 HD22 LEU 16 HD22 LEU 16 -0.622 -5.590 1.185
129 HD23 LEU 16 HD23 LEU 16 -0.774 -3.902 1.678
130 H LYS 17 H LYS 17 -4.817 -5.567 1.802
131 HA LYS 17 HA LYS 17 -3.317 -5.865 4.101
132 HB2 LYS 17 HB2 LYS 17 -5.662 -4.982 3.842
133 HB3 LYS 17 HB3 LYS 17 -6.209 -6.647 3.743
134 HG2 LYS 17 HG2 LYS 17 -5.399 -7.078 5.973
135 HG3 LYS 17 HG3 LYS 17 -4.765 -5.435 6.074
136 HD2 LYS 17 HD2 LYS 17 -7.026 -4.535 5.857
137 HD3 LYS 17 HD3 LYS 17 -7.670 -6.173 5.716
138 HE2 LYS 17 HE2 LYS 17 -6.207 -5.058 8.107
139 HE3 LYS 17 HE3 LYS 17 -7.956 -5.250 7.977
140 HZ1 LYS 17 HZ1 LYS 17 -7.075 -7.089 9.178
141 HZ2 LYS 17 HZ2 LYS 17 -5.917 -7.408 7.985
142 HZ3 LYS 17 HZ3 LYS 17 -7.563 -7.661 7.656
143 H SER 18 H SER 18 -5.164 -8.304 2.326
144 HA SER 18 HA SER 18 -4.290 -10.423 4.069
145 HB2 SER 18 HB2 SER 18 -5.811 -10.515 1.454
146 HB3 SER 18 HB3 SER 18 -5.537 -11.896 2.519
147 HG SER 18 HG SER 18 -6.603 -10.585 4.186
148 H PHE 19 H PHE 19 -3.338 -9.105 0.955
149 HA PHE 19 HA PHE 19 -1.849 -11.339 0.059
150 HB2 PHE 19 HB2 PHE 19 -2.555 -9.511 -1.444
151 HB3 PHE 19 HB3 PHE 19 -1.439 -8.420 -0.630
152 HD1 PHE 19 HD1 PHE 19 -1.653 -11.447 -2.729
153 HD2 PHE 19 HD2 PHE 19 0.862 -8.380 -1.188
154 HE1 PHE 19 HE1 PHE 19 0.136 -12.145 -4.268
155 HE2 PHE 19 HE2 PHE 19 2.655 -9.075 -2.723
156 HZ PHE 19 HZ PHE 19 2.291 -10.956 -4.266
157 H VAL 20 H VAL 20 -0.877 -8.386 1.776
158 HA VAL 20 HA VAL 20 1.866 -9.051 1.930
159 HB VAL 20 HB VAL 20 0.928 -6.756 2.289
160 HG11 VAL 20 HG11 VAL 20 0.130 -6.164 4.525
161 HG12 VAL 20 HG12 VAL 20 0.188 -7.866 4.988
162 HG13 VAL 20 HG13 VAL 20 -0.932 -7.329 3.733
163 HG21 VAL 20 HG21 VAL 20 2.709 -7.820 4.479
164 HG22 VAL 20 HG22 VAL 20 2.538 -6.125 4.021
165 HG23 VAL 20 HG23 VAL 20 3.231 -7.280 2.881
166 H ARG 21 H ARG 21 -0.893 -9.816 3.947
167 HA ARG 21 HA ARG 21 0.584 -10.853 6.144
168 HB2 ARG 21 HB2 ARG 21 -1.788 -10.057 6.238
169 HB3 ARG 21 HB3 ARG 21 -2.259 -11.462 5.300
170 HG2 ARG 21 HG2 ARG 21 -0.815 -11.816 7.886
171 HG3 ARG 21 HG3 ARG 21 -2.542 -11.464 7.876
172 HD2 ARG 21 HD2 ARG 21 -2.996 -13.432 6.577
173 HD3 ARG 21 HD3 ARG 21 -1.274 -13.734 6.353
174 HE ARG 21 HE ARG 21 -2.730 -14.008 8.907
175 HH11 ARG 21 HH11 ARG 21 -0.013 -14.723 6.827
176 HH12 ARG 21 HH12 ARG 21 0.624 -15.973 7.856
177 HH21 ARG 21 HH21 ARG 21 -1.867 -15.608 10.315
178 HH22 ARG 21 HH22 ARG 21 -0.414 -16.459 9.856
179 H LYS 22 H LYS 22 -0.353 -12.053 3.066
180 HA LYS 22 HA LYS 22 0.037 -14.845 3.800
181 HB2 LYS 22 HB2 LYS 22 -1.863 -14.129 2.366
182 HB3 LYS 22 HB3 LYS 22 -0.712 -13.617 1.142
183 HG2 LYS 22 HG2 LYS 22 0.099 -15.948 0.996
184 HG3 LYS 22 HG3 LYS 22 -1.169 -16.419 2.133
185 HD2 LYS 22 HD2 LYS 22 -2.831 -15.426 0.534
186 HD3 LYS 22 HD3 LYS 22 -1.507 -15.242 -0.620
187 HE2 LYS 22 HE2 LYS 22 -2.750 -17.277 -1.061
188 HE3 LYS 22 HE3 LYS 22 -1.110 -17.654 -0.534
189 HZ1 LYS 22 HZ1 LYS 22 -1.904 -18.217 1.626
190 HZ2 LYS 22 HZ2 LYS 22 -2.867 -19.045 0.497
191 HZ3 LYS 22 HZ3 LYS 22 -3.466 -17.659 1.269
192 H TYR 23 H TYR 23 1.308 -12.564 1.367
193 HA TYR 23 HA TYR 23 3.434 -14.445 0.699
194 HB2 TYR 23 HB2 TYR 23 2.022 -12.327 -0.661
195 HB3 TYR 23 HB3 TYR 23 3.761 -12.078 -0.783
196 HD1 TYR 23 HD1 TYR 23 1.395 -14.972 -1.000
197 HD2 TYR 23 HD2 TYR 23 4.726 -12.926 -2.679
198 HE1 TYR 23 HE1 TYR 23 1.492 -16.630 -2.811
199 HE2 TYR 23 HE2 TYR 23 4.833 -14.581 -4.494
200 HH TYR 23 HH TYR 23 4.148 -16.867 -4.951
201 H ARG 24 H ARG 24 2.959 -11.788 2.709
202 HA ARG 24 HA ARG 24 4.256 -10.334 3.831
203 HB2 ARG 24 HB2 ARG 24 6.326 -12.491 3.404
204 HB3 ARG 24 HB3 ARG 24 6.574 -11.085 4.432
205 HG2 ARG 24 HG2 ARG 24 4.480 -13.217 4.792
206 HG3 ARG 24 HG3 ARG 24 5.935 -12.993 5.765
207 HD2 ARG 24 HD2 ARG 24 3.772 -10.920 5.479
208 HD3 ARG 24 HD3 ARG 24 3.817 -12.099 6.783
209 HE ARG 24 HE ARG 24 6.096 -10.288 6.381
210 HH11 ARG 24 HH11 ARG 24 3.456 -11.459 8.358
211 HH12 ARG 24 HH12 ARG 24 3.943 -10.558 9.760
212 HH21 ARG 24 HH21 ARG 24 6.743 -9.092 8.224
213 HH22 ARG 24 HH22 ARG 24 5.815 -9.224 9.687
214 H ARG 25 H ARG 25 4.148 -8.693 2.429
215 HA ARG 25 HA ARG 25 4.824 -7.041 1.061
216 HB2 ARG 25 HB2 ARG 25 6.918 -7.332 2.404
217 HB3 ARG 25 HB3 ARG 25 7.509 -8.398 1.144
218 HG2 ARG 25 HG2 ARG 25 7.136 -6.408 -0.427
219 HG3 ARG 25 HG3 ARG 25 7.077 -5.451 1.061
220 HD2 ARG 25 HD2 ARG 25 9.218 -6.431 1.737
221 HD3 ARG 25 HD3 ARG 25 9.274 -7.295 0.206
222 HE ARG 25 HE ARG 25 9.518 -4.385 0.566
223 HH11 ARG 25 HH11 ARG 25 9.794 -7.223 -1.473
224 HH12 ARG 25 HH12 ARG 25 10.738 -6.420 -2.681
225 HH21 ARG 25 HH21 ARG 25 10.771 -3.324 -1.039
226 HH22 ARG 25 HH22 ARG 25 11.295 -4.205 -2.434
227 H PHE 26 H PHE 26 5.628 -6.625 -1.174
228 HA PHE 26 HA PHE 26 4.893 -8.738 -2.985
229 HB2 PHE 26 HB2 PHE 26 6.178 -6.074 -3.649
230 HB3 PHE 26 HB3 PHE 26 5.286 -7.120 -4.745
231 HD1 PHE 26 HD1 PHE 26 2.806 -7.486 -4.273
232 HD2 PHE 26 HD2 PHE 26 5.108 -4.401 -2.461
233 HE1 PHE 26 HE1 PHE 26 0.742 -6.266 -3.740
234 HE2 PHE 26 HE2 PHE 26 3.044 -3.175 -1.921
235 HZ PHE 26 HZ PHE 26 0.863 -4.112 -2.559
236 HA PRO 27 HA PRO 27 8.936 -10.568 -3.604
237 HB2 PRO 27 HB2 PRO 27 8.126 -10.518 -6.474
238 HB3 PRO 27 HB3 PRO 27 8.738 -11.863 -5.505
239 HG2 PRO 27 HG2 PRO 27 6.154 -11.704 -6.134
240 HG3 PRO 27 HG3 PRO 27 6.672 -12.280 -4.537
241 HD2 PRO 27 HD2 PRO 27 5.516 -9.645 -5.322
242 HD3 PRO 27 HD3 PRO 27 5.297 -10.574 -3.825
243 H LYS 28 H LYS 28 7.856 -8.355 -6.169
244 HA LYS 28 HA LYS 28 9.659 -6.317 -5.492
245 HB2 LYS 28 HB2 LYS 28 11.145 -6.357 -7.461
246 HB3 LYS 28 HB3 LYS 28 11.387 -7.744 -6.410
247 HG2 LYS 28 HG2 LYS 28 9.965 -9.075 -7.976
248 HG3 LYS 28 HG3 LYS 28 9.967 -7.684 -9.064
249 HD2 LYS 28 HD2 LYS 28 12.372 -9.238 -8.112
250 HD3 LYS 28 HD3 LYS 28 11.687 -9.243 -9.737
251 HE2 LYS 28 HE2 LYS 28 12.292 -6.947 -10.066
252 HE3 LYS 28 HE3 LYS 28 12.786 -6.786 -8.380
253 HZ1 LYS 28 HZ1 LYS 28 14.099 -8.445 -10.467
254 HZ2 LYS 28 HZ2 LYS 28 14.531 -8.452 -8.828
255 HZ3 LYS 28 HZ3 LYS 28 14.719 -7.039 -9.745
256 H SER 29 H SER 29 7.971 -7.818 -8.218
257 HA SER 29 HA SER 29 6.015 -5.843 -8.431
258 HB2 SER 29 HB2 SER 29 6.707 -4.753 -10.549
259 HB3 SER 29 HB3 SER 29 7.818 -4.389 -9.232
260 HG SER 29 HG SER 29 9.367 -5.366 -10.269
261 H THR 30 H THR 30 5.570 -6.013 -11.245
262 HA THR 30 HA THR 30 4.565 -7.300 -12.772
263 HB THR 30 HB THR 30 5.906 -9.817 -11.953
264 HG1 THR 30 HG1 THR 30 7.751 -8.756 -11.694
265 HG21 THR 30 HG21 THR 30 6.368 -9.857 -14.381
266 HG22 THR 30 HG22 THR 30 5.627 -8.260 -14.517
267 HG23 THR 30 HG23 THR 30 4.650 -9.645 -14.028
268 H GLU 31 H GLU 31 3.692 -7.282 -9.825
269 HA GLU 31 HA GLU 31 2.015 -9.620 -9.661
270 HB2 GLU 31 HB2 GLU 31 2.520 -7.213 -8.016
271 HB3 GLU 31 HB3 GLU 31 0.890 -7.860 -7.920
272 HG2 GLU 31 HG2 GLU 31 2.346 -8.724 -6.160
273 HG3 GLU 31 HG3 GLU 31 1.731 -10.000 -7.206
274 H GLY 32 H GLY 32 -0.458 -8.793 -9.042
275 HA2 GLY 32 HA2 GLY 32 -1.534 -7.913 -11.558
276 HA3 GLY 32 HA3 GLY 32 -2.453 -8.299 -10.109
277 H ASN 33 H ASN 33 -3.736 -6.588 -9.779
278 HA ASN 33 HA ASN 33 -3.110 -3.929 -10.443
279 HB2 ASN 33 HB2 ASN 33 -5.038 -3.269 -9.124
280 HB3 ASN 33 HB3 ASN 33 -5.424 -4.713 -10.052
281 HD21 ASN 33 HD21 ASN 33 -6.466 -3.511 -7.511
282 HD22 ASN 33 HD22 ASN 33 -6.461 -4.829 -6.380
283 H LEU 34 H LEU 34 -2.472 -5.807 -7.573
284 HA LEU 34 HA LEU 34 -1.692 -3.682 -5.884
285 HB2 LEU 34 HB2 LEU 34 -0.872 -6.580 -5.915
286 HB3 LEU 34 HB3 LEU 34 -0.442 -5.454 -4.643
287 HG LEU 34 HG LEU 34 -3.251 -6.281 -5.384
288 HD11 LEU 34 HD11 LEU 34 -2.006 -8.042 -4.249
289 HD12 LEU 34 HD12 LEU 34 -3.252 -7.368 -3.200
290 HD13 LEU 34 HD13 LEU 34 -1.567 -6.912 -2.969
291 HD21 LEU 34 HD21 LEU 34 -3.145 -3.967 -4.608
292 HD22 LEU 34 HD22 LEU 34 -2.255 -4.486 -3.176
293 HD23 LEU 34 HD23 LEU 34 -3.923 -5.008 -3.415
294 H GLY 35 H GLY 35 -0.030 -5.483 -8.375
295 HA2 GLY 35 HA2 GLY 35 2.589 -4.513 -7.848
296 HA3 GLY 35 HA3 GLY 35 2.010 -5.132 -9.391
297 H GLY 36 H GLY 36 -0.122 -3.331 -9.744
298 HA2 GLY 36 HA2 GLY 36 1.214 -1.025 -10.762
299 HA3 GLY 36 HA3 GLY 36 -0.528 -1.276 -10.703
300 H TRP 37 H TRP 37 -0.813 -1.668 -7.941
301 HA TRP 37 HA TRP 37 -0.986 0.897 -6.858
302 HB2 TRP 37 HB2 TRP 37 -2.029 -1.311 -6.028
303 HB3 TRP 37 HB3 TRP 37 -0.512 -1.545 -5.162
304 HD1 TRP 37 HD1 TRP 37 -3.547 0.769 -5.294
305 HE1 TRP 37 HE1 TRP 37 -3.693 2.067 -3.097
306 HE3 TRP 37 HE3 TRP 37 0.848 -0.740 -3.153
307 HZ2 TRP 37 HZ2 TRP 37 -2.152 2.408 -0.737
308 HZ3 TRP 37 HZ3 TRP 37 1.439 0.120 -0.933
309 HH2 TRP 37 HH2 TRP 37 -0.032 1.662 0.250
310 H CYS 38 H CYS 38 1.493 -1.602 -6.345
311 HA CYS 38 HA CYS 38 3.201 -0.146 -4.695
312 HB2 CYS 38 HB2 CYS 38 3.403 -2.566 -5.066
313 HB3 CYS 38 HB3 CYS 38 3.891 -2.277 -6.732
314 HG CYS 38 HG CYS 38 6.286 -2.831 -5.781
315 H HIS 39 H HIS 39 3.306 -0.548 -8.238
316 HA HIS 39 HA HIS 39 5.500 1.089 -8.748
317 HB2 HIS 39 HB2 HIS 39 3.151 0.212 -10.370
318 HB3 HIS 39 HB3 HIS 39 4.189 1.482 -11.008
319 HD1 HIS 39 HD1 HIS 39 3.769 -1.965 -11.340
320 HD2 HIS 39 HD2 HIS 39 7.093 0.457 -10.705
321 HE1 HIS 39 HE1 HIS 39 5.749 -3.314 -12.097
322 HE2 HIS 39 HE2 HIS 39 7.694 -1.720 -11.969
323 H THR 40 H THR 40 2.063 1.932 -8.623
324 HA THR 40 HA THR 40 2.341 4.641 -9.302
325 HB THR 40 HB THR 40 0.225 3.384 -7.540
326 HG1 THR 40 HG1 THR 40 0.297 2.346 -9.549
327 HG21 THR 40 HG21 THR 40 0.173 5.913 -9.191
328 HG22 THR 40 HG22 THR 40 0.211 5.824 -7.432
329 HG23 THR 40 HG23 THR 40 -1.195 5.231 -8.313
330 H GLN 41 H GLN 41 2.445 2.982 -6.186
331 HA GLN 41 HA GLN 41 2.332 5.292 -4.578
332 HB2 GLN 41 HB2 GLN 41 2.401 2.519 -4.179
333 HB3 GLN 41 HB3 GLN 41 3.783 3.157 -3.297
334 HG2 GLN 41 HG2 GLN 41 1.802 3.028 -1.887
335 HG3 GLN 41 HG3 GLN 41 2.342 4.691 -2.094
336 HE21 GLN 41 HE21 GLN 41 0.605 2.894 -4.544
337 HE22 GLN 41 HE22 GLN 41 -0.858 3.813 -4.449
338 H ARG 42 H ARG 42 4.970 3.705 -6.197
339 HA ARG 42 HA ARG 42 7.131 4.790 -4.807
340 HB2 ARG 42 HB2 ARG 42 7.294 3.024 -6.544
341 HB3 ARG 42 HB3 ARG 42 6.933 4.225 -7.773
342 HG2 ARG 42 HG2 ARG 42 9.232 4.786 -6.003
343 HG3 ARG 42 HG3 ARG 42 9.409 3.465 -7.159
344 HD2 ARG 42 HD2 ARG 42 8.865 4.961 -8.992
345 HD3 ARG 42 HD3 ARG 42 8.572 6.280 -7.859
346 HE ARG 42 HE ARG 42 10.946 6.236 -7.325
347 HH11 ARG 42 HH11 ARG 42 9.928 4.561 -10.233
348 HH12 ARG 42 HH12 ARG 42 11.492 4.643 -10.982
349 HH21 ARG 42 HH21 ARG 42 13.001 6.374 -8.337
350 HH22 ARG 42 HH22 ARG 42 13.212 5.707 -9.926
351 H LYS 43 H LYS 43 5.090 6.170 -7.335
352 HA LYS 43 HA LYS 43 6.657 8.602 -7.415
353 HB2 LYS 43 HB2 LYS 43 4.003 7.934 -8.702
354 HB3 LYS 43 HB3 LYS 43 4.862 9.449 -8.926
355 HG2 LYS 43 HG2 LYS 43 5.458 8.286 -10.809
356 HG3 LYS 43 HG3 LYS 43 6.803 7.915 -9.732
357 HD2 LYS 43 HD2 LYS 43 6.083 5.895 -10.815
358 HD3 LYS 43 HD3 LYS 43 5.666 5.808 -9.107
359 HE2 LYS 43 HE2 LYS 43 3.847 4.983 -10.514
360 HE3 LYS 43 HE3 LYS 43 3.370 6.424 -9.621
361 HZ1 LYS 43 HZ1 LYS 43 2.630 6.449 -11.942
362 HZ2 LYS 43 HZ2 LYS 43 4.246 6.405 -12.461
363 HZ3 LYS 43 HZ3 LYS 43 3.668 7.746 -11.596
364 H MET 44 H MET 44 3.714 7.429 -5.954
365 HA MET 44 HA MET 44 2.464 9.830 -5.288
366 HB2 MET 44 HB2 MET 44 2.517 7.330 -3.580
367 HB3 MET 44 HB3 MET 44 1.331 8.619 -3.495
368 HG2 MET 44 HG2 MET 44 1.734 6.738 -5.808
369 HG3 MET 44 HG3 MET 44 0.457 6.647 -4.603
370 HE1 MET 44 HE1 MET 44 0.682 9.497 -8.186
371 HE2 MET 44 HE2 MET 44 1.512 7.952 -8.006
372 HE3 MET 44 HE3 MET 44 2.047 9.353 -7.077
373 H ARG 45 H ARG 45 5.051 8.118 -3.579
374 HA ARG 45 HA ARG 45 4.989 9.835 -1.308
375 HB2 ARG 45 HB2 ARG 45 7.013 8.728 -0.613
376 HB3 ARG 45 HB3 ARG 45 5.891 7.533 -1.240
377 HG2 ARG 45 HG2 ARG 45 7.136 7.443 -3.330
378 HG3 ARG 45 HG3 ARG 45 8.244 8.680 -2.732
379 HD2 ARG 45 HD2 ARG 45 7.846 5.896 -1.646
380 HD3 ARG 45 HD3 ARG 45 9.281 6.539 -2.447
381 HE ARG 45 HE ARG 45 8.543 7.986 -0.075
382 HH11 ARG 45 HH11 ARG 45 10.381 5.309 -1.357
383 HH12 ARG 45 HH12 ARG 45 11.398 5.160 0.041
384 HH21 ARG 45 HH21 ARG 45 9.863 7.820 1.776
385 HH22 ARG 45 HH22 ARG 45 11.109 6.600 1.835
386 H LYS 46 H LYS 46 6.730 9.842 -4.343
387 HA LYS 46 HA LYS 46 8.521 11.958 -3.593
388 HB2 LYS 46 HB2 LYS 46 8.918 10.176 -5.375
389 HB3 LYS 46 HB3 LYS 46 7.805 11.074 -6.393
390 HG2 LYS 46 HG2 LYS 46 10.126 12.511 -5.206
391 HG3 LYS 46 HG3 LYS 46 10.397 11.424 -6.568
392 HD2 LYS 46 HD2 LYS 46 8.421 13.705 -6.542
393 HD3 LYS 46 HD3 LYS 46 10.034 13.776 -7.252
394 HE2 LYS 46 HE2 LYS 46 9.402 11.894 -8.742
395 HE3 LYS 46 HE3 LYS 46 7.765 11.968 -8.086
396 HZ1 LYS 46 HZ1 LYS 46 7.629 14.275 -8.880
397 HZ2 LYS 46 HZ2 LYS 46 7.877 13.178 -10.148
398 HZ3 LYS 46 HZ3 LYS 46 9.168 14.122 -9.582
399 H GLN 47 H GLN 47 5.403 11.654 -5.110
400 HA GLN 47 HA GLN 47 5.108 14.426 -5.774
401 HB2 GLN 47 HB2 GLN 47 3.114 12.164 -5.513
402 HB3 GLN 47 HB3 GLN 47 2.692 13.765 -6.087
403 HG2 GLN 47 HG2 GLN 47 4.279 13.494 -7.947
404 HG3 GLN 47 HG3 GLN 47 4.634 11.865 -7.377
405 HE21 GLN 47 HE21 GLN 47 1.468 13.401 -7.397
406 HE22 GLN 47 HE22 GLN 47 0.766 12.340 -8.575
407 H GLY 48 H GLY 48 4.879 12.585 -2.919
408 HA2 GLY 48 HA2 GLY 48 4.538 13.273 -0.744
409 HA3 GLY 48 HA3 GLY 48 4.293 14.905 -1.351
410 H LYS 49 H LYS 49 2.406 12.276 -2.603
411 HA LYS 49 HA LYS 49 0.061 13.466 -1.279
412 HB2 LYS 49 HB2 LYS 49 -1.239 12.475 -3.167
413 HB3 LYS 49 HB3 LYS 49 -0.096 13.723 -3.644
414 HG2 LYS 49 HG2 LYS 49 1.447 12.058 -4.448
415 HG3 LYS 49 HG3 LYS 49 0.401 10.764 -3.856
416 HD2 LYS 49 HD2 LYS 49 -0.414 12.802 -5.919
417 HD3 LYS 49 HD3 LYS 49 0.203 11.192 -6.301
418 HE2 LYS 49 HE2 LYS 49 -1.653 10.159 -5.176
419 HE3 LYS 49 HE3 LYS 49 -2.228 11.724 -4.600
420 HZ1 LYS 49 HZ1 LYS 49 -2.633 12.374 -6.897
421 HZ2 LYS 49 HZ2 LYS 49 -3.496 10.965 -6.512
422 HZ3 LYS 49 HZ3 LYS 49 -2.081 10.866 -7.446
423 H LEU 50 H LEU 50 2.012 10.827 -1.120
424 HA LEU 50 HA LEU 50 0.181 8.712 -0.717
425 HB2 LEU 50 HB2 LEU 50 2.972 9.087 -0.583
426 HB3 LEU 50 HB3 LEU 50 2.499 8.522 1.005
427 HG LEU 50 HG LEU 50 1.699 7.055 -1.500
428 HD11 LEU 50 HD11 LEU 50 4.132 7.232 -1.468
429 HD12 LEU 50 HD12 LEU 50 3.607 5.585 -1.119
430 HD13 LEU 50 HD13 LEU 50 4.157 6.631 0.189
431 HD21 LEU 50 HD21 LEU 50 1.554 5.155 0.060
432 HD22 LEU 50 HD22 LEU 50 0.453 6.461 0.491
433 HD23 LEU 50 HD23 LEU 50 1.951 6.237 1.392
434 HA PRO 51 HA PRO 51 -1.398 9.970 3.272
435 HB2 PRO 51 HB2 PRO 51 -2.499 7.308 3.594
436 HB3 PRO 51 HB3 PRO 51 -3.345 8.821 3.270
437 HG2 PRO 51 HG2 PRO 51 -3.152 6.785 1.463
438 HG3 PRO 51 HG3 PRO 51 -3.339 8.488 1.006
439 HD2 PRO 51 HD2 PRO 51 -0.867 6.801 1.071
440 HD3 PRO 51 HD3 PRO 51 -1.373 8.013 -0.119
441 H ASN 52 H ASN 52 -0.215 10.063 5.018
442 HA ASN 52 HA ASN 52 1.761 8.220 5.804
443 HB2 ASN 52 HB2 ASN 52 0.291 10.365 7.340
444 HB3 ASN 52 HB3 ASN 52 1.568 9.391 8.062
445 HD21 ASN 52 HD21 ASN 52 3.682 9.714 7.446
446 HD22 ASN 52 HD22 ASN 52 4.185 11.077 6.506
447 H ASP 53 H ASP 53 -1.641 8.492 6.507
448 HA ASP 53 HA ASP 53 -1.922 6.603 8.538
449 HB2 ASP 53 HB2 ASP 53 -3.794 7.055 6.198
450 HB3 ASP 53 HB3 ASP 53 -4.214 6.307 7.733
451 H ARG 54 H ARG 54 -2.058 6.167 5.018
452 HA ARG 54 HA ARG 54 -2.328 3.349 5.101
453 HB2 ARG 54 HB2 ARG 54 -2.589 5.250 3.160
454 HB3 ARG 54 HB3 ARG 54 -1.058 4.515 2.705
455 HG2 ARG 54 HG2 ARG 54 -3.622 2.995 3.142
456 HG3 ARG 54 HG3 ARG 54 -3.026 3.532 1.574
457 HD2 ARG 54 HD2 ARG 54 -1.051 2.140 1.808
458 HD3 ARG 54 HD3 ARG 54 -1.556 1.660 3.432
459 HE ARG 54 HE ARG 54 -3.320 1.069 1.170
460 HH11 ARG 54 HH11 ARG 54 -1.170 -0.048 3.681
461 HH12 ARG 54 HH12 ARG 54 -1.609 -1.715 3.506
462 HH21 ARG 54 HH21 ARG 54 -3.911 -1.132 0.917
463 HH22 ARG 54 HH22 ARG 54 -3.178 -2.333 1.925
464 H ARG 55 H ARG 55 0.400 5.538 5.001
465 HA ARG 55 HA ARG 55 2.447 3.705 4.437
466 HB2 ARG 55 HB2 ARG 55 2.524 6.284 4.602
467 HB3 ARG 55 HB3 ARG 55 2.743 6.041 6.324
468 HG2 ARG 55 HG2 ARG 55 4.567 4.785 4.303
469 HG3 ARG 55 HG3 ARG 55 4.815 6.423 4.903
470 HD2 ARG 55 HD2 ARG 55 4.900 5.528 7.206
471 HD3 ARG 55 HD3 ARG 55 4.751 3.896 6.550
472 HE ARG 55 HE ARG 55 6.931 5.340 5.389
473 HH11 ARG 55 HH11 ARG 55 5.963 3.487 8.189
474 HH12 ARG 55 HH12 ARG 55 7.571 3.004 8.599
475 HH21 ARG 55 HH21 ARG 55 9.073 4.711 5.913
476 HH22 ARG 55 HH22 ARG 55 9.355 3.710 7.308
477 H LEU 56 H LEU 56 0.955 4.707 7.491
478 HA LEU 56 HA LEU 56 2.554 2.981 9.107
479 HB2 LEU 56 HB2 LEU 56 1.539 4.956 10.064
480 HB3 LEU 56 HB3 LEU 56 -0.064 4.385 9.641
481 HG LEU 56 HG LEU 56 0.207 2.511 11.236
482 HD11 LEU 56 HD11 LEU 56 2.760 3.917 12.010
483 HD12 LEU 56 HD12 LEU 56 2.650 2.362 11.182
484 HD13 LEU 56 HD13 LEU 56 2.043 2.530 12.829
485 HD21 LEU 56 HD21 LEU 56 -0.009 3.854 13.269
486 HD22 LEU 56 HD22 LEU 56 -0.913 4.562 11.931
487 HD23 LEU 56 HD23 LEU 56 0.633 5.256 12.413
488 H LEU 57 H LEU 57 -0.706 2.770 7.717
489 HA LEU 57 HA LEU 57 -1.484 0.324 8.816
490 HB2 LEU 57 HB2 LEU 57 -2.116 1.346 6.043
491 HB3 LEU 57 HB3 LEU 57 -3.000 0.107 6.909
492 HG LEU 57 HG LEU 57 -2.835 3.023 7.658
493 HD11 LEU 57 HD11 LEU 57 -5.236 3.008 7.133
494 HD12 LEU 57 HD12 LEU 57 -5.086 1.342 6.572
495 HD13 LEU 57 HD13 LEU 57 -4.236 2.636 5.728
496 HD21 LEU 57 HD21 LEU 57 -2.951 1.624 9.643
497 HD22 LEU 57 HD22 LEU 57 -4.332 0.760 8.965
498 HD23 LEU 57 HD23 LEU 57 -4.477 2.469 9.381
499 H LEU 58 H LEU 58 0.383 1.043 5.911
500 HA LEU 58 HA LEU 58 0.567 -1.599 4.939
501 HB2 LEU 58 HB2 LEU 58 1.006 0.559 3.690
502 HB3 LEU 58 HB3 LEU 58 2.552 0.633 4.509
503 HG LEU 58 HG LEU 58 3.232 -1.467 3.431
504 HD11 LEU 58 HD11 LEU 58 1.857 -2.430 1.655
505 HD12 LEU 58 HD12 LEU 58 0.571 -1.279 2.025
506 HD13 LEU 58 HD13 LEU 58 1.035 -2.497 3.213
507 HD21 LEU 58 HD21 LEU 58 3.437 -0.598 1.158
508 HD22 LEU 58 HD22 LEU 58 3.734 0.668 2.351
509 HD23 LEU 58 HD23 LEU 58 2.190 0.604 1.497
510 H ASP 59 H ASP 59 2.728 0.349 6.961
511 HA ASP 59 HA ASP 59 4.754 -1.585 7.276
512 HB2 ASP 59 HB2 ASP 59 4.928 0.855 7.867
513 HB3 ASP 59 HB3 ASP 59 3.933 0.531 9.280
514 H LYS 60 H LYS 60 1.737 -1.002 8.985
515 HA LYS 60 HA LYS 60 2.282 -2.709 11.179
516 HB2 LYS 60 HB2 LYS 60 0.729 -0.938 11.489
517 HB3 LYS 60 HB3 LYS 60 -0.233 -1.442 10.112
518 HG2 LYS 60 HG2 LYS 60 0.028 -3.436 12.252
519 HG3 LYS 60 HG3 LYS 60 -0.856 -1.969 12.678
520 HD2 LYS 60 HD2 LYS 60 -1.431 -3.597 10.208
521 HD3 LYS 60 HD3 LYS 60 -2.252 -3.837 11.746
522 HE2 LYS 60 HE2 LYS 60 -2.181 -1.234 10.230
523 HE3 LYS 60 HE3 LYS 60 -3.507 -2.390 10.169
524 HZ1 LYS 60 HZ1 LYS 60 -4.036 -0.687 11.748
525 HZ2 LYS 60 HZ2 LYS 60 -2.564 -0.899 12.557
526 HZ3 LYS 60 HZ3 LYS 60 -3.735 -2.123 12.602
527 H ILE 61 H ILE 61 0.674 -3.208 8.062
528 HA ILE 61 HA ILE 61 -0.374 -5.767 8.811
529 HB ILE 61 HB ILE 61 -0.765 -6.061 6.319
530 HG12 ILE 61 HG12 ILE 61 0.123 -3.173 6.287
531 HG13 ILE 61 HG13 ILE 61 0.934 -4.517 5.498
532 HG21 ILE 61 HG21 ILE 61 -2.481 -5.321 7.903
533 HG22 ILE 61 HG22 ILE 61 -2.686 -4.594 6.310
534 HG23 ILE 61 HG23 ILE 61 -1.997 -3.646 7.631
535 HD11 ILE 61 HD11 ILE 61 -0.336 -3.175 3.916
536 HD12 ILE 61 HD12 ILE 61 -1.816 -3.501 4.822
537 HD13 ILE 61 HD13 ILE 61 -0.967 -4.819 4.017
538 H GLY 62 H GLY 62 2.736 -4.807 8.176
539 HA2 GLY 62 HA2 GLY 62 4.407 -6.498 8.635
540 HA3 GLY 62 HA3 GLY 62 3.438 -7.632 7.710
541 H PHE 63 H PHE 63 3.814 -4.468 6.405
542 HA PHE 63 HA PHE 63 5.370 -5.585 4.222
543 HB2 PHE 63 HB2 PHE 63 3.401 -4.113 3.789
544 HB3 PHE 63 HB3 PHE 63 4.269 -2.788 4.556
545 HD1 PHE 63 HD2 PHE 63 6.185 -1.751 3.453
546 HD2 PHE 63 HD1 PHE 63 3.957 -4.858 1.589
547 HE1 PHE 63 HE2 PHE 63 7.184 -1.159 1.282
548 HE2 PHE 63 HE1 PHE 63 4.945 -4.271 -0.582
549 HZ PHE 63 HZ PHE 63 6.559 -2.419 -0.740
550 H VAL 64 H VAL 64 7.466 -5.553 4.213
551 HA VAL 64 HA VAL 64 8.890 -3.665 5.886
552 HB VAL 64 HB VAL 64 9.474 -6.053 5.987
553 HG11 VAL 64 HG11 VAL 64 10.760 -7.081 4.146
554 HG12 VAL 64 HG12 VAL 64 10.381 -5.682 3.142
555 HG13 VAL 64 HG13 VAL 64 9.085 -6.729 3.716
556 HG21 VAL 64 HG21 VAL 64 11.908 -5.772 5.845
557 HG22 VAL 64 HG22 VAL 64 11.122 -4.390 6.612
558 HG23 VAL 64 HG23 VAL 64 11.670 -4.277 4.939
559 H TRP 65 H TRP 65 9.942 -1.959 5.136
560 HA TRP 65 HA TRP 65 9.513 -1.205 2.391
561 HB2 TRP 65 HB2 TRP 65 11.000 0.326 4.535
562 HB3 TRP 65 HB3 TRP 65 10.297 0.977 3.055
563 HD1 TRP 65 HD1 TRP 65 9.327 -0.260 6.538
564 HE1 TRP 65 HE1 TRP 65 6.922 0.487 7.054
565 HE3 TRP 65 HE3 TRP 65 8.077 1.590 1.940
566 HZ2 TRP 65 HZ2 TRP 65 4.772 1.709 5.672
567 HZ3 TRP 65 HZ3 TRP 65 5.823 2.529 1.618
568 HH2 TRP 65 HH2 TRP 65 4.207 2.584 3.447
569 H SER 66 H SER 66 12.172 -2.236 4.375
570 HA SER 66 HA SER 66 14.230 -1.421 2.582
571 HB2 SER 66 HB2 SER 66 14.272 -3.412 4.859
572 HB3 SER 66 HB3 SER 66 15.694 -2.746 4.054
573 HG SER 66 HG SER 66 15.333 -0.811 4.952
574 H LEU 67 H LEU 67 15.029 -2.443 0.871
575 HA LEU 67 HA LEU 67 13.776 -4.939 0.043
576 HB2 LEU 67 HB2 LEU 67 13.903 -3.133 -1.577
577 HB3 LEU 67 HB3 LEU 67 15.641 -3.033 -1.375
578 HG LEU 67 HG LEU 67 15.849 -5.318 -2.339
579 HD11 LEU 67 HD11 LEU 67 13.602 -6.111 -1.765
580 HD12 LEU 67 HD12 LEU 67 13.962 -6.310 -3.481
581 HD13 LEU 67 HD13 LEU 67 12.916 -4.993 -2.947
582 HD21 LEU 67 HD21 LEU 67 15.418 -4.654 -4.642
583 HD22 LEU 67 HD22 LEU 67 16.141 -3.329 -3.731
584 HD23 LEU 67 HD23 LEU 67 14.413 -3.319 -4.080
585 H GLU 68 H GLU 68 14.695 -6.856 0.214
586 HA GLU 68 HA GLU 68 16.206 -8.523 0.439
587 HB2 GLU 68 HB2 GLU 68 17.154 -7.387 -1.604
588 HB3 GLU 68 HB3 GLU 68 18.282 -6.560 -0.543
589 HG2 GLU 68 HG2 GLU 68 19.327 -8.602 0.070
590 HG3 GLU 68 HG3 GLU 68 18.073 -9.551 -0.726
591 H HIS 69 H HIS 69 15.875 -6.247 2.485
592 HA HIS 69 HA HIS 69 18.271 -6.782 4.091
593 HB2 HIS 69 HB2 HIS 69 16.176 -4.632 4.174
594 HB3 HIS 69 HB3 HIS 69 17.165 -4.965 5.591
595 HD1 HIS 69 HD1 HIS 69 17.639 -4.029 1.923
596 HD2 HIS 69 HD2 HIS 69 19.544 -3.670 5.603
597 HE1 HIS 69 HE1 HIS 69 19.616 -2.533 1.521
598 HE2 HIS 69 HE2 HIS 69 20.657 -2.197 3.791
599 H HIS 70 H HIS 70 16.823 -8.935 3.855
600 HA HIS 70 HA HIS 70 14.695 -9.294 5.685
601 HB2 HIS 70 HB2 HIS 70 15.256 -10.739 3.696
602 HB3 HIS 70 HB3 HIS 70 16.600 -11.390 4.620
603 HD1 HIS 70 HD1 HIS 70 16.038 -13.618 5.471
604 HD2 HIS 70 HD2 HIS 70 12.722 -11.111 5.432
605 HE1 HIS 70 HE1 HIS 70 14.133 -15.001 6.373
606 HE2 HIS 70 HE2 HIS 70 12.098 -13.546 6.057
607 H HIS 71 H HIS 71 14.795 -9.333 7.838
608 HA HIS 71 HA HIS 71 17.240 -8.951 9.195
609 HB2 HIS 71 HB2 HIS 71 14.573 -9.723 10.400
610 HB3 HIS 71 HB3 HIS 71 15.933 -8.998 11.249
611 HD1 HIS 71 HD1 HIS 71 12.789 -8.069 10.213
612 HD2 HIS 71 HD2 HIS 71 16.535 -6.344 9.654
613 HE1 HIS 71 HE1 HIS 71 12.353 -5.646 9.696
614 HE2 HIS 71 HE2 HIS 71 14.632 -4.591 9.513
615 H HIS 72 H HIS 72 18.681 -10.373 9.862
616 HA HIS 72 HA HIS 72 17.757 -12.981 10.806
617 HB2 HIS 72 HB2 HIS 72 19.552 -12.525 8.540
618 HB3 HIS 72 HB3 HIS 72 20.226 -13.598 9.760
619 HD1 HIS 72 HD1 HIS 72 18.996 -15.872 10.171
620 HD2 HIS 72 HD2 HIS 72 17.438 -13.575 7.062
621 HE1 HIS 72 HE1 HIS 72 17.510 -17.418 8.848
622 HE2 HIS 72 HE2 HIS 72 16.723 -16.053 6.881
623 H HIS 73 H HIS 73 18.035 -12.287 12.910
624 HA HIS 73 HA HIS 73 20.559 -11.308 13.843
625 HB2 HIS 73 HB2 HIS 73 18.382 -10.835 14.979
626 HB3 HIS 73 HB3 HIS 73 18.296 -12.530 15.442
627 HD1 HIS 73 HD1 HIS 73 20.357 -9.424 16.063
628 HD2 HIS 73 HD2 HIS 73 19.654 -13.171 17.737
629 HE1 HIS 73 HE1 HIS 73 21.503 -9.397 18.311
630 HE2 HIS 73 HE2 HIS 73 21.098 -11.688 19.288
631 H HIS 74 H HIS 74 19.246 -14.346 13.107
632 HA HIS 74 HA HIS 74 21.752 -15.601 13.876
633 HB2 HIS 74 HB2 HIS 74 20.683 -17.566 14.825
634 HB3 HIS 74 HB3 HIS 74 20.166 -16.142 15.715
635 HD1 HIS 74 HD1 HIS 74 17.674 -15.486 15.565
636 HD2 HIS 74 HD2 HIS 74 18.664 -18.921 13.435
637 HE1 HIS 74 HE1 HIS 74 15.492 -16.584 14.991
638 HE2 HIS 74 HE2 HIS 74 16.132 -18.786 13.961
Start of MODEL 18
1 H1 MET 1 H1 MET 1 -34.952 -1.417 -3.631
2 H2 MET 1 H2 MET 1 -34.917 -1.232 -1.947
3 H3 MET 1 H3 MET 1 -35.791 -2.507 -2.638
4 HA MET 1 HA MET 1 -33.731 -3.295 -1.698
5 HB2 MET 1 HB2 MET 1 -32.901 -4.494 -3.644
6 HB3 MET 1 HB3 MET 1 -34.655 -4.404 -3.705
7 HG2 MET 1 HG2 MET 1 -34.535 -2.619 -5.338
8 HG3 MET 1 HG3 MET 1 -32.775 -2.623 -5.241
9 HE1 MET 1 HE1 MET 1 -34.415 -2.850 -7.981
10 HE2 MET 1 HE2 MET 1 -33.478 -4.096 -8.806
11 HE3 MET 1 HE3 MET 1 -32.655 -2.837 -7.886
12 H ASN 2 H ASN 2 -31.389 -3.379 -1.867
13 HA ASN 2 HA ASN 2 -30.125 -1.116 -3.211
14 HB2 ASN 2 HB2 ASN 2 -28.884 -0.426 -1.235
15 HB3 ASN 2 HB3 ASN 2 -30.611 -0.310 -0.926
16 HD21 ASN 2 HD21 ASN 2 -31.577 -1.738 0.511
17 HD22 ASN 2 HD22 ASN 2 -30.645 -2.680 1.630
18 H GLN 3 H GLN 3 -27.964 -1.410 -3.672
19 HA GLN 3 HA GLN 3 -26.494 -3.703 -2.796
20 HB2 GLN 3 HB2 GLN 3 -28.066 -4.626 -4.589
21 HB3 GLN 3 HB3 GLN 3 -27.191 -3.623 -5.737
22 HG2 GLN 3 HG2 GLN 3 -25.107 -4.794 -5.103
23 HG3 GLN 3 HG3 GLN 3 -26.061 -5.857 -4.070
24 HE21 GLN 3 HE21 GLN 3 -25.163 -5.050 -7.300
25 HE22 GLN 3 HE22 GLN 3 -25.914 -6.402 -8.075
26 H ASN 4 H ASN 4 -24.800 -2.411 -2.316
27 HA ASN 4 HA ASN 4 -24.093 -0.081 -3.697
28 HB2 ASN 4 HB2 ASN 4 -22.530 -1.830 -1.803
29 HB3 ASN 4 HB3 ASN 4 -21.879 -0.336 -2.469
30 HD21 ASN 4 HD21 ASN 4 -24.522 0.968 -2.443
31 HD22 ASN 4 HD22 ASN 4 -24.823 1.365 -0.786
32 H LEU 5 H LEU 5 -22.428 0.432 -5.070
33 HA LEU 5 HA LEU 5 -21.719 -1.514 -7.027
34 HB2 LEU 5 HB2 LEU 5 -22.024 0.932 -7.456
35 HB3 LEU 5 HB3 LEU 5 -20.549 1.233 -6.558
36 HG LEU 5 HG LEU 5 -19.314 -0.142 -8.241
37 HD11 LEU 5 HD11 LEU 5 -20.421 -0.591 -10.381
38 HD12 LEU 5 HD12 LEU 5 -21.951 -0.043 -9.697
39 HD13 LEU 5 HD13 LEU 5 -21.167 -1.485 -9.056
40 HD21 LEU 5 HD21 LEU 5 -19.339 2.288 -8.381
41 HD22 LEU 5 HD22 LEU 5 -20.845 2.230 -9.298
42 HD23 LEU 5 HD23 LEU 5 -19.366 1.568 -9.993
43 H GLN 6 H GLN 6 -19.822 -2.645 -7.264
44 HA GLN 6 HA GLN 6 -18.285 -3.009 -4.878
45 HB2 GLN 6 HB2 GLN 6 -18.828 -4.864 -6.420
46 HB3 GLN 6 HB3 GLN 6 -17.812 -4.123 -7.647
47 HG2 GLN 6 HG2 GLN 6 -16.666 -5.957 -6.548
48 HG3 GLN 6 HG3 GLN 6 -15.853 -4.425 -6.242
49 HE21 GLN 6 HE21 GLN 6 -15.740 -3.640 -4.173
50 HE22 GLN 6 HE22 GLN 6 -16.233 -4.553 -2.786
51 H GLY 7 H GLY 7 -17.166 -1.162 -4.386
52 HA2 GLY 7 HA2 GLY 7 -15.490 0.182 -6.284
53 HA3 GLY 7 HA3 GLY 7 -15.481 0.413 -4.537
54 H GLU 8 H GLU 8 -13.328 -0.101 -6.682
55 HA GLU 8 HA GLU 8 -12.349 -2.713 -6.170
56 HB2 GLU 8 HB2 GLU 8 -10.536 -2.211 -7.548
57 HB3 GLU 8 HB3 GLU 8 -11.837 -1.229 -8.202
58 HG2 GLU 8 HG2 GLU 8 -9.780 -0.178 -6.284
59 HG3 GLU 8 HG3 GLU 8 -9.590 -0.126 -8.029
60 H TRP 9 H TRP 9 -11.946 0.355 -4.600
61 HA TRP 9 HA TRP 9 -9.555 -0.092 -3.249
62 HB2 TRP 9 HB2 TRP 9 -10.567 2.095 -3.235
63 HB3 TRP 9 HB3 TRP 9 -11.979 1.488 -2.379
64 HD1 TRP 9 HD1 TRP 9 -11.809 2.754 -0.124
65 HE1 TRP 9 HE1 TRP 9 -10.063 2.865 1.771
66 HE3 TRP 9 HE3 TRP 9 -7.964 0.272 -2.411
67 HZ2 TRP 9 HZ2 TRP 9 -7.417 2.002 2.229
68 HZ3 TRP 9 HZ3 TRP 9 -5.867 -0.051 -1.173
69 HH2 TRP 9 HH2 TRP 9 -5.600 0.797 1.100
70 H MET 10 H MET 10 -12.875 -0.809 -2.147
71 HA MET 10 HA MET 10 -12.136 -1.897 0.327
72 HB2 MET 10 HB2 MET 10 -14.516 -1.511 -1.088
73 HB3 MET 10 HB3 MET 10 -14.438 -3.241 -0.807
74 HG2 MET 10 HG2 MET 10 -14.289 -1.089 1.295
75 HG3 MET 10 HG3 MET 10 -15.680 -2.110 0.947
76 HE1 MET 10 HE1 MET 10 -12.600 -1.582 3.059
77 HE2 MET 10 HE2 MET 10 -11.784 -2.475 1.774
78 HE3 MET 10 HE3 MET 10 -11.955 -3.194 3.375
79 H LYS 11 H LYS 11 -12.176 -3.251 -2.882
80 HA LYS 11 HA LYS 11 -11.841 -5.967 -2.010
81 HB2 LYS 11 HB2 LYS 11 -12.806 -4.943 -4.271
82 HB3 LYS 11 HB3 LYS 11 -11.128 -5.092 -4.773
83 HG2 LYS 11 HG2 LYS 11 -12.658 -7.389 -3.598
84 HG3 LYS 11 HG3 LYS 11 -12.679 -7.021 -5.320
85 HD2 LYS 11 HD2 LYS 11 -10.171 -7.531 -3.731
86 HD3 LYS 11 HD3 LYS 11 -11.026 -8.766 -4.654
87 HE2 LYS 11 HE2 LYS 11 -10.785 -7.082 -6.619
88 HE3 LYS 11 HE3 LYS 11 -9.513 -6.378 -5.623
89 HZ1 LYS 11 HZ1 LYS 11 -9.631 -9.192 -6.573
90 HZ2 LYS 11 HZ2 LYS 11 -8.420 -8.560 -5.568
91 HZ3 LYS 11 HZ3 LYS 11 -8.599 -7.981 -7.156
92 H ASN 12 H ASN 12 -9.761 -3.479 -3.495
93 HA ASN 12 HA ASN 12 -7.394 -5.006 -3.504
94 HB2 ASN 12 HB2 ASN 12 -7.806 -2.011 -3.489
95 HB3 ASN 12 HB3 ASN 12 -6.246 -2.784 -3.714
96 HD21 ASN 12 HD21 ASN 12 -7.632 -1.025 -5.491
97 HD22 ASN 12 HD22 ASN 12 -7.885 -1.888 -6.961
98 H TYR 13 H TYR 13 -8.856 -2.973 -1.023
99 HA TYR 13 HA TYR 13 -6.567 -2.790 0.627
100 HB2 TYR 13 HB2 TYR 13 -8.519 -1.318 0.905
101 HB3 TYR 13 HB3 TYR 13 -9.484 -2.699 1.419
102 HD1 TYR 13 HD2 TYR 13 -6.107 -1.356 2.309
103 HD2 TYR 13 HD1 TYR 13 -9.901 -2.691 3.686
104 HE1 TYR 13 HE2 TYR 13 -5.377 -1.004 4.628
105 HE2 TYR 13 HE1 TYR 13 -9.185 -2.336 6.013
106 HH TYR 13 HH TYR 13 -6.394 -0.591 6.830
107 H GLU 14 H GLU 14 -9.412 -4.928 0.829
108 HA GLU 14 HA GLU 14 -8.405 -6.607 2.841
109 HB2 GLU 14 HB2 GLU 14 -10.347 -7.228 0.602
110 HB3 GLU 14 HB3 GLU 14 -10.064 -8.261 1.998
111 HG2 GLU 14 HG2 GLU 14 -11.152 -5.456 2.065
112 HG3 GLU 14 HG3 GLU 14 -12.087 -6.939 2.260
113 H GLU 15 H GLU 15 -7.965 -6.525 -0.604
114 HA GLU 15 HA GLU 15 -6.673 -8.990 -0.997
115 HB2 GLU 15 HB2 GLU 15 -7.540 -7.292 -2.732
116 HB3 GLU 15 HB3 GLU 15 -6.014 -6.454 -2.489
117 HG2 GLU 15 HG2 GLU 15 -5.717 -7.796 -4.385
118 HG3 GLU 15 HG3 GLU 15 -4.876 -8.627 -3.076
119 H LEU 16 H LEU 16 -5.366 -5.731 -0.441
120 HA LEU 16 HA LEU 16 -2.655 -6.425 -0.399
121 HB2 LEU 16 HB2 LEU 16 -3.478 -4.128 -0.650
122 HB3 LEU 16 HB3 LEU 16 -4.050 -4.149 1.006
123 HG LEU 16 HG LEU 16 -1.700 -4.424 1.774
124 HD11 LEU 16 HD11 LEU 16 0.112 -3.965 0.191
125 HD12 LEU 16 HD12 LEU 16 -1.054 -3.973 -1.134
126 HD13 LEU 16 HD13 LEU 16 -0.756 -5.445 -0.210
127 HD21 LEU 16 HD21 LEU 16 -2.712 -2.228 1.749
128 HD22 LEU 16 HD22 LEU 16 -2.266 -2.017 0.055
129 HD23 LEU 16 HD23 LEU 16 -1.012 -2.118 1.291
130 H LYS 17 H LYS 17 -4.981 -6.071 2.269
131 HA LYS 17 HA LYS 17 -3.354 -6.603 4.443
132 HB2 LYS 17 HB2 LYS 17 -6.158 -7.614 3.926
133 HB3 LYS 17 HB3 LYS 17 -5.357 -7.658 5.487
134 HG2 LYS 17 HG2 LYS 17 -5.426 -5.329 5.711
135 HG3 LYS 17 HG3 LYS 17 -5.801 -5.094 4.001
136 HD2 LYS 17 HD2 LYS 17 -7.767 -4.776 5.448
137 HD3 LYS 17 HD3 LYS 17 -7.983 -6.091 4.302
138 HE2 LYS 17 HE2 LYS 17 -7.443 -7.709 6.055
139 HE3 LYS 17 HE3 LYS 17 -7.221 -6.393 7.207
140 HZ1 LYS 17 HZ1 LYS 17 -9.772 -6.931 5.774
141 HZ2 LYS 17 HZ2 LYS 17 -9.520 -5.824 7.033
142 HZ3 LYS 17 HZ3 LYS 17 -9.429 -7.486 7.339
143 H SER 18 H SER 18 -5.241 -8.932 2.604
144 HA SER 18 HA SER 18 -4.200 -11.247 3.787
145 HB2 SER 18 HB2 SER 18 -5.360 -10.983 1.004
146 HB3 SER 18 HB3 SER 18 -5.287 -12.450 1.983
147 HG SER 18 HG SER 18 -6.986 -10.245 2.175
148 H PHE 19 H PHE 19 -3.178 -9.505 0.857
149 HA PHE 19 HA PHE 19 -1.381 -11.520 -0.016
150 HB2 PHE 19 HB2 PHE 19 -2.371 -9.598 -1.392
151 HB3 PHE 19 HB3 PHE 19 -1.111 -8.591 -0.680
152 HD1 PHE 19 HD1 PHE 19 -1.832 -11.346 -2.966
153 HD2 PHE 19 HD2 PHE 19 1.214 -8.888 -1.295
154 HE1 PHE 19 HE1 PHE 19 -0.264 -12.124 -4.693
155 HE2 PHE 19 HE2 PHE 19 2.788 -9.665 -3.019
156 HZ PHE 19 HZ PHE 19 2.050 -11.283 -4.723
157 H VAL 20 H VAL 20 -0.863 -8.479 1.779
158 HA VAL 20 HA VAL 20 1.916 -8.900 2.137
159 HB VAL 20 HB VAL 20 -0.064 -7.167 3.597
160 HG11 VAL 20 HG11 VAL 20 2.897 -7.397 4.140
161 HG12 VAL 20 HG12 VAL 20 1.610 -7.886 5.242
162 HG13 VAL 20 HG13 VAL 20 1.815 -6.185 4.825
163 HG21 VAL 20 HG21 VAL 20 1.263 -5.383 2.569
164 HG22 VAL 20 HG22 VAL 20 0.624 -6.494 1.356
165 HG23 VAL 20 HG23 VAL 20 2.316 -6.598 1.846
166 H ARG 21 H ARG 21 -0.907 -9.773 4.067
167 HA ARG 21 HA ARG 21 0.460 -10.806 6.286
168 HB2 ARG 21 HB2 ARG 21 -1.994 -10.349 6.158
169 HB3 ARG 21 HB3 ARG 21 -2.173 -11.756 5.123
170 HG2 ARG 21 HG2 ARG 21 -0.928 -12.100 7.805
171 HG3 ARG 21 HG3 ARG 21 -2.674 -11.872 7.691
172 HD2 ARG 21 HD2 ARG 21 -2.811 -13.767 6.142
173 HD3 ARG 21 HD3 ARG 21 -1.068 -13.998 6.276
174 HE ARG 21 HE ARG 21 -2.647 -14.112 8.734
175 HH11 ARG 21 HH11 ARG 21 -0.915 -15.792 6.207
176 HH12 ARG 21 HH12 ARG 21 -0.770 -17.276 7.097
177 HH21 ARG 21 HH21 ARG 21 -2.480 -16.057 9.919
178 HH22 ARG 21 HH22 ARG 21 -1.666 -17.426 9.221
179 H LYS 22 H LYS 22 0.021 -12.047 3.086
180 HA LYS 22 HA LYS 22 0.761 -14.746 3.833
181 HB2 LYS 22 HB2 LYS 22 -0.286 -13.398 1.388
182 HB3 LYS 22 HB3 LYS 22 0.527 -14.940 1.230
183 HG2 LYS 22 HG2 LYS 22 -1.062 -15.984 2.713
184 HG3 LYS 22 HG3 LYS 22 -1.833 -14.427 3.018
185 HD2 LYS 22 HD2 LYS 22 -2.428 -14.282 0.631
186 HD3 LYS 22 HD3 LYS 22 -1.714 -15.877 0.376
187 HE2 LYS 22 HE2 LYS 22 -3.308 -16.823 1.995
188 HE3 LYS 22 HE3 LYS 22 -4.038 -15.232 2.184
189 HZ1 LYS 22 HZ1 LYS 22 -5.235 -16.723 0.643
190 HZ2 LYS 22 HZ2 LYS 22 -3.893 -16.689 -0.395
191 HZ3 LYS 22 HZ3 LYS 22 -4.753 -15.262 -0.070
192 H TYR 23 H TYR 23 1.972 -12.252 1.542
193 HA TYR 23 HA TYR 23 4.409 -13.872 1.237
194 HB2 TYR 23 HB2 TYR 23 3.251 -11.653 -0.455
195 HB3 TYR 23 HB3 TYR 23 4.802 -12.418 -0.771
196 HD1 TYR 23 HD2 TYR 23 1.153 -12.919 -0.741
197 HD2 TYR 23 HD1 TYR 23 4.927 -14.585 -1.790
198 HE1 TYR 23 HE2 TYR 23 0.016 -14.630 -2.092
199 HE2 TYR 23 HE1 TYR 23 3.800 -16.300 -3.145
200 HH TYR 23 HH TYR 23 1.699 -17.359 -3.398
201 H ARG 24 H ARG 24 3.285 -10.821 2.401
202 HA ARG 24 HA ARG 24 4.237 -8.914 3.119
203 HB2 ARG 24 HB2 ARG 24 6.490 -10.819 3.618
204 HB3 ARG 24 HB3 ARG 24 6.746 -9.091 3.823
205 HG2 ARG 24 HG2 ARG 24 6.187 -9.928 5.943
206 HG3 ARG 24 HG3 ARG 24 4.739 -9.109 5.355
207 HD2 ARG 24 HD2 ARG 24 3.729 -11.005 5.988
208 HD3 ARG 24 HD3 ARG 24 4.284 -11.575 4.419
209 HE ARG 24 HE ARG 24 6.355 -12.065 6.206
210 HH11 ARG 24 HH11 ARG 24 3.028 -13.142 5.810
211 HH12 ARG 24 HH12 ARG 24 3.346 -14.720 6.449
212 HH21 ARG 24 HH21 ARG 24 6.761 -14.143 7.003
213 HH22 ARG 24 HH22 ARG 24 5.459 -15.289 7.140
214 H ARG 25 H ARG 25 4.049 -7.743 1.393
215 HA ARG 25 HA ARG 25 4.710 -6.332 -0.276
216 HB2 ARG 25 HB2 ARG 25 7.344 -7.439 0.535
217 HB3 ARG 25 HB3 ARG 25 7.247 -6.712 -1.062
218 HG2 ARG 25 HG2 ARG 25 6.264 -5.254 1.357
219 HG3 ARG 25 HG3 ARG 25 7.974 -5.258 0.919
220 HD2 ARG 25 HD2 ARG 25 5.731 -4.402 -0.906
221 HD3 ARG 25 HD3 ARG 25 6.725 -3.300 0.044
222 HE ARG 25 HE ARG 25 8.440 -4.905 -1.479
223 HH11 ARG 25 HH11 ARG 25 6.026 -2.406 -1.978
224 HH12 ARG 25 HH12 ARG 25 6.756 -1.814 -3.433
225 HH21 ARG 25 HH21 ARG 25 9.408 -4.112 -3.384
226 HH22 ARG 25 HH22 ARG 25 8.694 -2.776 -4.230
227 H PHE 26 H PHE 26 5.466 -6.407 -2.576
228 HA PHE 26 HA PHE 26 5.302 -9.096 -3.714
229 HB2 PHE 26 HB2 PHE 26 4.018 -7.705 -5.639
230 HB3 PHE 26 HB3 PHE 26 3.187 -8.559 -4.346
231 HD1 PHE 26 HD2 PHE 26 2.216 -7.337 -2.475
232 HD2 PHE 26 HD1 PHE 26 4.046 -5.280 -5.728
233 HE1 PHE 26 HE2 PHE 26 1.129 -5.250 -1.770
234 HE2 PHE 26 HE1 PHE 26 2.959 -3.199 -5.020
235 HZ PHE 26 HZ PHE 26 1.501 -3.180 -3.042
236 HA PRO 27 HA PRO 27 9.038 -6.931 -5.254
237 HB2 PRO 27 HB2 PRO 27 10.398 -9.277 -5.653
238 HB3 PRO 27 HB3 PRO 27 10.401 -8.385 -4.128
239 HG2 PRO 27 HG2 PRO 27 8.790 -10.776 -4.926
240 HG3 PRO 27 HG3 PRO 27 9.580 -10.422 -3.378
241 HD2 PRO 27 HD2 PRO 27 6.933 -10.095 -3.747
242 HD3 PRO 27 HD3 PRO 27 7.874 -9.029 -2.686
243 H LYS 28 H LYS 28 9.257 -6.400 -7.319
244 HA LYS 28 HA LYS 28 9.251 -6.464 -9.594
245 HB2 LYS 28 HB2 LYS 28 10.498 -8.635 -9.109
246 HB3 LYS 28 HB3 LYS 28 8.972 -9.464 -9.367
247 HG2 LYS 28 HG2 LYS 28 8.925 -8.868 -11.647
248 HG3 LYS 28 HG3 LYS 28 10.221 -7.684 -11.443
249 HD2 LYS 28 HD2 LYS 28 11.777 -9.483 -10.894
250 HD3 LYS 28 HD3 LYS 28 10.484 -10.666 -11.087
251 HE2 LYS 28 HE2 LYS 28 10.312 -10.214 -13.417
252 HE3 LYS 28 HE3 LYS 28 11.373 -8.809 -13.281
253 HZ1 LYS 28 HZ1 LYS 28 13.225 -10.169 -12.897
254 HZ2 LYS 28 HZ2 LYS 28 12.401 -10.921 -14.176
255 HZ3 LYS 28 HZ3 LYS 28 12.280 -11.544 -12.603
256 H SER 29 H SER 29 6.874 -6.321 -7.936
257 HA SER 29 HA SER 29 4.629 -6.405 -7.936
258 HB2 SER 29 HB2 SER 29 3.530 -5.860 -10.124
259 HB3 SER 29 HB3 SER 29 4.840 -4.772 -9.675
260 HG SER 29 HG SER 29 5.933 -6.714 -11.075
261 H THR 30 H THR 30 4.992 -8.695 -7.262
262 HA THR 30 HA THR 30 4.552 -10.880 -8.921
263 HB THR 30 HB THR 30 3.496 -10.862 -6.124
264 HG1 THR 30 HG1 THR 30 6.227 -10.544 -6.907
265 HG21 THR 30 HG21 THR 30 3.528 -12.934 -7.427
266 HG22 THR 30 HG22 THR 30 4.635 -13.028 -6.056
267 HG23 THR 30 HG23 THR 30 5.262 -12.749 -7.679
268 H GLU 31 H GLU 31 2.313 -8.703 -7.314
269 HA GLU 31 HA GLU 31 0.073 -10.059 -8.654
270 HB2 GLU 31 HB2 GLU 31 -0.192 -10.085 -6.241
271 HB3 GLU 31 HB3 GLU 31 0.111 -8.358 -6.149
272 HG2 GLU 31 HG2 GLU 31 -2.270 -8.982 -5.902
273 HG3 GLU 31 HG3 GLU 31 -1.955 -7.862 -7.226
274 H GLY 32 H GLY 32 -0.765 -8.999 -10.327
275 HA2 GLY 32 HA2 GLY 32 0.204 -6.481 -11.162
276 HA3 GLY 32 HA3 GLY 32 -1.168 -7.336 -11.851
277 H ASN 33 H ASN 33 -2.680 -7.439 -9.395
278 HA ASN 33 HA ASN 33 -4.118 -5.036 -9.609
279 HB2 ASN 33 HB2 ASN 33 -4.101 -7.230 -7.547
280 HB3 ASN 33 HB3 ASN 33 -5.135 -5.815 -7.368
281 HD21 ASN 33 HD21 ASN 33 -5.760 -8.686 -7.811
282 HD22 ASN 33 HD22 ASN 33 -6.775 -8.703 -9.213
283 H LEU 34 H LEU 34 -2.004 -6.137 -6.961
284 HA LEU 34 HA LEU 34 -2.092 -3.594 -5.653
285 HB2 LEU 34 HB2 LEU 34 -0.416 -6.053 -5.250
286 HB3 LEU 34 HB3 LEU 34 -0.145 -4.591 -4.330
287 HG LEU 34 HG LEU 34 -1.437 -6.030 -2.965
288 HD11 LEU 34 HD11 LEU 34 -3.266 -3.978 -4.190
289 HD12 LEU 34 HD12 LEU 34 -2.114 -3.711 -2.881
290 HD13 LEU 34 HD13 LEU 34 -3.502 -4.771 -2.633
291 HD21 LEU 34 HD21 LEU 34 -2.248 -7.558 -4.665
292 HD22 LEU 34 HD22 LEU 34 -3.352 -6.325 -5.270
293 HD23 LEU 34 HD23 LEU 34 -3.575 -6.989 -3.651
294 H GLY 35 H GLY 35 -0.058 -5.093 -8.032
295 HA2 GLY 35 HA2 GLY 35 2.205 -3.439 -7.863
296 HA3 GLY 35 HA3 GLY 35 1.647 -4.258 -9.317
297 H GLY 36 H GLY 36 -0.858 -3.029 -9.593
298 HA2 GLY 36 HA2 GLY 36 -0.157 -0.546 -10.803
299 HA3 GLY 36 HA3 GLY 36 -1.788 -1.174 -10.594
300 H TRP 37 H TRP 37 -1.660 -1.459 -7.769
301 HA TRP 37 HA TRP 37 -2.484 1.069 -6.882
302 HB2 TRP 37 HB2 TRP 37 -2.826 -1.343 -5.883
303 HB3 TRP 37 HB3 TRP 37 -1.369 -0.957 -4.971
304 HD1 TRP 37 HD1 TRP 37 -4.848 0.605 -5.619
305 HE1 TRP 37 HE1 TRP 37 -5.600 1.797 -3.482
306 HE3 TRP 37 HE3 TRP 37 -0.691 -0.176 -2.751
307 HZ2 TRP 37 HZ2 TRP 37 -4.571 2.336 -0.901
308 HZ3 TRP 37 HZ3 TRP 37 -0.657 0.708 -0.460
309 HH2 TRP 37 HH2 TRP 37 -2.558 1.939 0.445
310 H CYS 38 H CYS 38 0.556 -0.700 -6.327
311 HA CYS 38 HA CYS 38 1.799 1.442 -4.944
312 HB2 CYS 38 HB2 CYS 38 2.809 -1.112 -6.134
313 HB3 CYS 38 HB3 CYS 38 3.929 0.094 -5.502
314 HG CYS 38 HG CYS 38 1.380 -0.899 -3.506
315 H HIS 39 H HIS 39 1.671 0.533 -8.341
316 HA HIS 39 HA HIS 39 3.821 1.968 -9.348
317 HB2 HIS 39 HB2 HIS 39 1.322 0.908 -10.428
318 HB3 HIS 39 HB3 HIS 39 1.871 2.352 -11.271
319 HD1 HIS 39 HD1 HIS 39 2.743 -1.228 -10.670
320 HD2 HIS 39 HD2 HIS 39 4.220 2.041 -12.771
321 HE1 HIS 39 HE1 HIS 39 4.491 -2.152 -12.221
322 HE2 HIS 39 HE2 HIS 39 5.204 -0.193 -13.629
323 H THR 40 H THR 40 0.632 3.108 -8.441
324 HA THR 40 HA THR 40 1.038 5.768 -9.425
325 HB THR 40 HB THR 40 -1.038 4.736 -7.480
326 HG1 THR 40 HG1 THR 40 -1.802 3.758 -9.196
327 HG21 THR 40 HG21 THR 40 -1.007 7.204 -9.225
328 HG22 THR 40 HG22 THR 40 -0.861 7.175 -7.467
329 HG23 THR 40 HG23 THR 40 -2.364 6.663 -8.237
330 H GLN 41 H GLN 41 1.214 4.198 -6.248
331 HA GLN 41 HA GLN 41 1.516 6.743 -4.934
332 HB2 GLN 41 HB2 GLN 41 1.197 3.938 -3.990
333 HB3 GLN 41 HB3 GLN 41 1.712 5.202 -2.874
334 HG2 GLN 41 HG2 GLN 41 -0.266 6.370 -3.065
335 HG3 GLN 41 HG3 GLN 41 -0.671 5.628 -4.611
336 HE21 GLN 41 HE21 GLN 41 -1.483 3.566 -4.657
337 HE22 GLN 41 HE22 GLN 41 -2.214 2.850 -3.273
338 H ARG 42 H ARG 42 3.673 4.294 -6.082
339 HA ARG 42 HA ARG 42 5.856 4.821 -4.378
340 HB2 ARG 42 HB2 ARG 42 7.276 3.921 -6.223
341 HB3 ARG 42 HB3 ARG 42 5.938 2.873 -5.787
342 HG2 ARG 42 HG2 ARG 42 5.833 2.756 -8.057
343 HG3 ARG 42 HG3 ARG 42 4.738 4.105 -7.765
344 HD2 ARG 42 HD2 ARG 42 6.681 5.642 -8.157
345 HD3 ARG 42 HD3 ARG 42 7.608 4.230 -8.670
346 HE ARG 42 HE ARG 42 5.100 5.022 -10.006
347 HH11 ARG 42 HH11 ARG 42 8.463 4.045 -10.134
348 HH12 ARG 42 HH12 ARG 42 8.527 4.069 -11.868
349 HH21 ARG 42 HH21 ARG 42 5.177 5.028 -12.284
350 HH22 ARG 42 HH22 ARG 42 6.666 4.621 -13.096
351 H LYS 43 H LYS 43 4.492 6.560 -7.034
352 HA LYS 43 HA LYS 43 6.648 8.327 -7.516
353 HB2 LYS 43 HB2 LYS 43 4.812 7.920 -9.093
354 HB3 LYS 43 HB3 LYS 43 3.669 8.594 -7.945
355 HG2 LYS 43 HG2 LYS 43 5.369 10.661 -8.179
356 HG3 LYS 43 HG3 LYS 43 5.514 9.937 -9.785
357 HD2 LYS 43 HD2 LYS 43 2.954 10.758 -8.419
358 HD3 LYS 43 HD3 LYS 43 3.745 11.592 -9.740
359 HE2 LYS 43 HE2 LYS 43 2.741 8.769 -9.923
360 HE3 LYS 43 HE3 LYS 43 1.793 10.174 -10.402
361 HZ1 LYS 43 HZ1 LYS 43 2.830 9.248 -12.325
362 HZ2 LYS 43 HZ2 LYS 43 4.358 9.268 -11.594
363 HZ3 LYS 43 HZ3 LYS 43 3.589 10.729 -11.989
364 H MET 44 H MET 44 3.705 8.444 -5.541
365 HA MET 44 HA MET 44 4.066 11.062 -4.549
366 HB2 MET 44 HB2 MET 44 2.626 8.892 -3.045
367 HB3 MET 44 HB3 MET 44 2.281 10.616 -3.070
368 HG2 MET 44 HG2 MET 44 1.809 8.629 -5.270
369 HG3 MET 44 HG3 MET 44 0.597 9.476 -4.311
370 HE1 MET 44 HE1 MET 44 0.475 10.789 -8.087
371 HE2 MET 44 HE2 MET 44 -0.433 9.923 -6.848
372 HE3 MET 44 HE3 MET 44 1.017 9.198 -7.547
373 H ARG 45 H ARG 45 5.173 7.919 -3.464
374 HA ARG 45 HA ARG 45 6.112 8.768 -0.918
375 HB2 ARG 45 HB2 ARG 45 5.712 6.374 -1.569
376 HB3 ARG 45 HB3 ARG 45 7.157 6.454 -2.566
377 HG2 ARG 45 HG2 ARG 45 7.372 7.175 0.318
378 HG3 ARG 45 HG3 ARG 45 7.230 5.474 -0.128
379 HD2 ARG 45 HD2 ARG 45 9.226 5.524 -1.368
380 HD3 ARG 45 HD3 ARG 45 9.261 7.286 -1.406
381 HE ARG 45 HE ARG 45 9.662 7.106 1.084
382 HH11 ARG 45 HH11 ARG 45 10.597 4.524 -1.094
383 HH12 ARG 45 HH12 ARG 45 11.955 4.027 -0.130
384 HH21 ARG 45 HH21 ARG 45 11.441 6.458 2.349
385 HH22 ARG 45 HH22 ARG 45 12.442 5.141 1.819
386 H LYS 46 H LYS 46 7.692 8.348 -4.054
387 HA LYS 46 HA LYS 46 10.279 9.127 -3.237
388 HB2 LYS 46 HB2 LYS 46 9.464 7.984 -5.438
389 HB3 LYS 46 HB3 LYS 46 9.203 9.624 -6.002
390 HG2 LYS 46 HG2 LYS 46 11.847 8.625 -4.981
391 HG3 LYS 46 HG3 LYS 46 11.375 8.578 -6.676
392 HD2 LYS 46 HD2 LYS 46 11.550 11.079 -4.992
393 HD3 LYS 46 HD3 LYS 46 12.792 10.527 -6.115
394 HE2 LYS 46 HE2 LYS 46 11.203 10.715 -7.967
395 HE3 LYS 46 HE3 LYS 46 9.957 11.257 -6.845
396 HZ1 LYS 46 HZ1 LYS 46 10.970 13.126 -7.980
397 HZ2 LYS 46 HZ2 LYS 46 12.507 12.670 -7.425
398 HZ3 LYS 46 HZ3 LYS 46 11.331 13.188 -6.321
399 H GLN 47 H GLN 47 7.571 10.909 -4.660
400 HA GLN 47 HA GLN 47 8.880 13.406 -4.804
401 HB2 GLN 47 HB2 GLN 47 6.549 12.369 -5.751
402 HB3 GLN 47 HB3 GLN 47 5.956 13.410 -4.465
403 HG2 GLN 47 HG2 GLN 47 5.989 14.561 -6.596
404 HG3 GLN 47 HG3 GLN 47 7.101 15.309 -5.449
405 HE21 GLN 47 HE21 GLN 47 6.798 13.499 -8.388
406 HE22 GLN 47 HE22 GLN 47 8.444 13.650 -8.894
407 H GLY 48 H GLY 48 7.034 11.799 -2.299
408 HA2 GLY 48 HA2 GLY 48 7.419 12.158 -0.013
409 HA3 GLY 48 HA3 GLY 48 8.091 13.735 -0.391
410 H LYS 49 H LYS 49 4.929 12.415 -1.378
411 HA LYS 49 HA LYS 49 3.679 14.353 0.455
412 HB2 LYS 49 HB2 LYS 49 2.729 13.851 -2.360
413 HB3 LYS 49 HB3 LYS 49 1.984 14.922 -1.185
414 HG2 LYS 49 HG2 LYS 49 3.126 16.460 -2.334
415 HG3 LYS 49 HG3 LYS 49 4.427 15.991 -1.247
416 HD2 LYS 49 HD2 LYS 49 5.089 16.104 -3.648
417 HD3 LYS 49 HD3 LYS 49 5.355 14.527 -2.896
418 HE2 LYS 49 HE2 LYS 49 4.382 14.167 -5.049
419 HE3 LYS 49 HE3 LYS 49 3.184 13.778 -3.827
420 HZ1 LYS 49 HZ1 LYS 49 3.291 16.333 -5.354
421 HZ2 LYS 49 HZ2 LYS 49 2.124 15.905 -4.197
422 HZ3 LYS 49 HZ3 LYS 49 2.224 15.044 -5.652
423 H LEU 50 H LEU 50 3.979 11.213 -0.308
424 HA LEU 50 HA LEU 50 1.415 10.144 -0.321
425 HB2 LEU 50 HB2 LEU 50 4.077 9.192 0.427
426 HB3 LEU 50 HB3 LEU 50 2.801 8.416 1.341
427 HG LEU 50 HG LEU 50 3.170 8.409 -1.653
428 HD11 LEU 50 HD11 LEU 50 3.199 6.213 0.410
429 HD12 LEU 50 HD12 LEU 50 4.599 6.868 -0.442
430 HD13 LEU 50 HD13 LEU 50 3.355 5.992 -1.333
431 HD21 LEU 50 HD21 LEU 50 1.177 6.989 -1.756
432 HD22 LEU 50 HD22 LEU 50 0.793 8.606 -1.165
433 HD23 LEU 50 HD23 LEU 50 0.898 7.259 -0.034
434 HA PRO 51 HA PRO 51 -0.391 11.323 3.562
435 HB2 PRO 51 HB2 PRO 51 -1.855 8.758 3.338
436 HB3 PRO 51 HB3 PRO 51 -2.478 10.403 3.494
437 HG2 PRO 51 HG2 PRO 51 -2.614 9.107 1.174
438 HG3 PRO 51 HG3 PRO 51 -2.256 10.845 1.233
439 HD2 PRO 51 HD2 PRO 51 -0.397 8.540 0.806
440 HD3 PRO 51 HD3 PRO 51 -0.426 10.132 0.028
441 H ASN 52 H ASN 52 -0.003 10.999 5.621
442 HA ASN 52 HA ASN 52 1.873 9.079 6.507
443 HB2 ASN 52 HB2 ASN 52 -0.005 10.860 8.071
444 HB3 ASN 52 HB3 ASN 52 1.235 9.859 8.814
445 HD21 ASN 52 HD21 ASN 52 3.398 10.426 8.588
446 HD22 ASN 52 HD22 ASN 52 3.886 11.982 8.015
447 H ASP 53 H ASP 53 -1.592 9.079 6.338
448 HA ASP 53 HA ASP 53 -2.025 6.938 8.182
449 HB2 ASP 53 HB2 ASP 53 -3.760 8.013 5.946
450 HB3 ASP 53 HB3 ASP 53 -4.275 6.758 7.066
451 H ARG 54 H ARG 54 -1.750 7.166 4.672
452 HA ARG 54 HA ARG 54 -2.100 4.470 4.050
453 HB2 ARG 54 HB2 ARG 54 -0.622 6.706 2.696
454 HB3 ARG 54 HB3 ARG 54 -0.561 5.070 2.049
455 HG2 ARG 54 HG2 ARG 54 -3.078 6.649 2.534
456 HG3 ARG 54 HG3 ARG 54 -2.280 6.444 0.971
457 HD2 ARG 54 HD2 ARG 54 -2.673 4.095 0.987
458 HD3 ARG 54 HD3 ARG 54 -3.227 4.138 2.663
459 HE ARG 54 HE ARG 54 -4.698 5.400 0.429
460 HH11 ARG 54 HH11 ARG 54 -4.611 3.564 3.406
461 HH12 ARG 54 HH12 ARG 54 -6.340 3.453 3.546
462 HH21 ARG 54 HH21 ARG 54 -6.961 5.267 0.603
463 HH22 ARG 54 HH22 ARG 54 -7.677 4.430 1.946
464 H ARG 55 H ARG 55 0.904 6.268 4.675
465 HA ARG 55 HA ARG 55 2.580 4.029 4.270
466 HB2 ARG 55 HB2 ARG 55 4.353 5.375 5.294
467 HB3 ARG 55 HB3 ARG 55 3.438 6.306 4.119
468 HG2 ARG 55 HG2 ARG 55 3.046 7.861 5.623
469 HG3 ARG 55 HG3 ARG 55 2.255 6.680 6.673
470 HD2 ARG 55 HD2 ARG 55 5.181 7.393 6.574
471 HD3 ARG 55 HD3 ARG 55 4.054 7.649 7.905
472 HE ARG 55 HE ARG 55 3.961 4.995 7.661
473 HH11 ARG 55 HH11 ARG 55 6.656 7.204 7.857
474 HH12 ARG 55 HH12 ARG 55 7.770 6.004 8.456
475 HH21 ARG 55 HH21 ARG 55 5.399 3.412 8.466
476 HH22 ARG 55 HH22 ARG 55 7.047 3.837 8.805
477 H LEU 56 H LEU 56 0.812 5.191 7.042
478 HA LEU 56 HA LEU 56 2.159 3.514 8.946
479 HB2 LEU 56 HB2 LEU 56 0.042 5.501 8.988
480 HB3 LEU 56 HB3 LEU 56 -0.366 4.114 9.975
481 HG LEU 56 HG LEU 56 0.675 5.800 11.349
482 HD11 LEU 56 HD11 LEU 56 2.552 3.497 10.843
483 HD12 LEU 56 HD12 LEU 56 1.145 3.484 11.906
484 HD13 LEU 56 HD13 LEU 56 2.527 4.511 12.286
485 HD21 LEU 56 HD21 LEU 56 2.972 6.543 10.968
486 HD22 LEU 56 HD22 LEU 56 1.925 6.977 9.616
487 HD23 LEU 56 HD23 LEU 56 3.030 5.611 9.473
488 H LEU 57 H LEU 57 -0.879 3.387 7.144
489 HA LEU 57 HA LEU 57 -1.939 1.071 8.285
490 HB2 LEU 57 HB2 LEU 57 -2.662 2.850 6.284
491 HB3 LEU 57 HB3 LEU 57 -2.493 1.323 5.439
492 HG LEU 57 HG LEU 57 -4.072 0.297 7.061
493 HD11 LEU 57 HD11 LEU 57 -5.416 1.789 8.476
494 HD12 LEU 57 HD12 LEU 57 -4.373 3.138 8.022
495 HD13 LEU 57 HD13 LEU 57 -3.713 1.783 8.941
496 HD21 LEU 57 HD21 LEU 57 -5.104 2.716 5.588
497 HD22 LEU 57 HD22 LEU 57 -6.078 1.357 6.151
498 HD23 LEU 57 HD23 LEU 57 -4.855 1.112 4.902
499 H LEU 58 H LEU 58 0.116 1.478 5.426
500 HA LEU 58 HA LEU 58 0.277 -1.271 4.786
501 HB2 LEU 58 HB2 LEU 58 1.843 1.166 4.052
502 HB3 LEU 58 HB3 LEU 58 2.497 -0.412 3.658
503 HG LEU 58 HG LEU 58 0.534 -0.922 2.297
504 HD11 LEU 58 HD11 LEU 58 -0.410 1.851 3.015
505 HD12 LEU 58 HD12 LEU 58 -1.154 0.333 3.519
506 HD13 LEU 58 HD13 LEU 58 -1.146 0.788 1.815
507 HD21 LEU 58 HD21 LEU 58 1.763 1.750 1.648
508 HD22 LEU 58 HD22 LEU 58 0.909 0.707 0.510
509 HD23 LEU 58 HD23 LEU 58 2.424 0.167 1.237
510 H ASP 59 H ASP 59 2.368 0.869 6.668
511 HA ASP 59 HA ASP 59 4.380 -1.005 7.259
512 HB2 ASP 59 HB2 ASP 59 4.593 1.450 7.580
513 HB3 ASP 59 HB3 ASP 59 3.465 1.353 8.928
514 H LYS 60 H LYS 60 1.227 -0.457 8.613
515 HA LYS 60 HA LYS 60 1.550 -1.839 11.035
516 HB2 LYS 60 HB2 LYS 60 -0.290 -0.180 10.079
517 HB3 LYS 60 HB3 LYS 60 -1.074 -1.687 9.629
518 HG2 LYS 60 HG2 LYS 60 -0.194 -0.975 12.414
519 HG3 LYS 60 HG3 LYS 60 -1.833 -0.793 11.787
520 HD2 LYS 60 HD2 LYS 60 -0.311 -3.387 11.947
521 HD3 LYS 60 HD3 LYS 60 -1.526 -2.844 13.091
522 HE2 LYS 60 HE2 LYS 60 -3.146 -2.721 11.180
523 HE3 LYS 60 HE3 LYS 60 -1.920 -3.502 10.185
524 HZ1 LYS 60 HZ1 LYS 60 -1.940 -5.391 11.701
525 HZ2 LYS 60 HZ2 LYS 60 -3.484 -5.120 11.054
526 HZ3 LYS 60 HZ3 LYS 60 -3.135 -4.641 12.644
527 H ILE 61 H ILE 61 0.076 -2.814 7.908
528 HA ILE 61 HA ILE 61 -0.495 -5.454 8.807
529 HB ILE 61 HB ILE 61 -0.801 -5.973 6.345
530 HG12 ILE 61 HG12 ILE 61 -0.366 -2.992 6.096
531 HG13 ILE 61 HG13 ILE 61 0.702 -4.239 5.464
532 HG21 ILE 61 HG21 ILE 61 -2.901 -4.741 6.199
533 HG22 ILE 61 HG22 ILE 61 -2.371 -3.681 7.507
534 HG23 ILE 61 HG23 ILE 61 -2.650 -5.394 7.820
535 HD11 ILE 61 HD11 ILE 61 -0.687 -3.301 3.712
536 HD12 ILE 61 HD12 ILE 61 -2.139 -3.747 4.609
537 HD13 ILE 61 HD13 ILE 61 -1.074 -5.002 3.972
538 H GLY 62 H GLY 62 2.359 -3.996 7.577
539 HA2 GLY 62 HA2 GLY 62 4.396 -5.260 8.154
540 HA3 GLY 62 HA3 GLY 62 3.598 -6.675 7.481
541 H PHE 63 H PHE 63 3.203 -3.656 5.863
542 HA PHE 63 HA PHE 63 4.619 -4.681 3.557
543 HB2 PHE 63 HB2 PHE 63 2.426 -3.517 3.362
544 HB3 PHE 63 HB3 PHE 63 3.177 -2.048 3.966
545 HD1 PHE 63 HD2 PHE 63 4.851 -0.863 2.578
546 HD2 PHE 63 HD1 PHE 63 2.619 -4.173 1.104
547 HE1 PHE 63 HE2 PHE 63 5.404 -0.202 0.279
548 HE2 PHE 63 HE1 PHE 63 3.169 -3.516 -1.205
549 HZ PHE 63 HZ PHE 63 4.563 -1.527 -1.617
550 H VAL 64 H VAL 64 6.725 -4.608 3.732
551 HA VAL 64 HA VAL 64 8.083 -2.434 5.022
552 HB VAL 64 HB VAL 64 8.771 -4.859 5.143
553 HG11 VAL 64 HG11 VAL 64 10.118 -5.787 3.348
554 HG12 VAL 64 HG12 VAL 64 9.824 -4.351 2.368
555 HG13 VAL 64 HG13 VAL 64 8.486 -5.418 2.788
556 HG21 VAL 64 HG21 VAL 64 10.860 -2.892 4.219
557 HG22 VAL 64 HG22 VAL 64 11.170 -4.380 5.115
558 HG23 VAL 64 HG23 VAL 64 10.253 -3.072 5.863
559 H TRP 65 H TRP 65 9.670 -1.091 3.957
560 HA TRP 65 HA TRP 65 8.711 -0.319 1.308
561 HB2 TRP 65 HB2 TRP 65 10.581 1.152 3.179
562 HB3 TRP 65 HB3 TRP 65 9.823 1.802 1.727
563 HD1 TRP 65 HD1 TRP 65 9.152 1.090 5.386
564 HE1 TRP 65 HE1 TRP 65 6.854 2.048 6.032
565 HE3 TRP 65 HE3 TRP 65 7.444 2.305 0.725
566 HZ2 TRP 65 HZ2 TRP 65 4.615 3.174 4.741
567 HZ3 TRP 65 HZ3 TRP 65 5.210 3.318 0.517
568 HH2 TRP 65 HH2 TRP 65 3.826 3.742 2.484
569 H SER 66 H SER 66 10.530 -2.620 1.818
570 HA SER 66 HA SER 66 13.111 -1.927 0.856
571 HB2 SER 66 HB2 SER 66 11.735 -4.625 0.835
572 HB3 SER 66 HB3 SER 66 13.463 -4.334 0.641
573 HG SER 66 HG SER 66 13.523 -3.523 2.757
574 H LEU 67 H LEU 67 13.008 -0.809 -1.004
575 HA LEU 67 HA LEU 67 12.407 -2.357 -3.394
576 HB2 LEU 67 HB2 LEU 67 11.301 -0.296 -4.409
577 HB3 LEU 67 HB3 LEU 67 10.353 -1.229 -3.270
578 HG LEU 67 HG LEU 67 11.123 0.500 -1.514
579 HD11 LEU 67 HD11 LEU 67 11.613 2.719 -2.381
580 HD12 LEU 67 HD12 LEU 67 11.634 2.085 -4.027
581 HD13 LEU 67 HD13 LEU 67 12.856 1.565 -2.865
582 HD21 LEU 67 HD21 LEU 67 9.273 1.981 -2.103
583 HD22 LEU 67 HD22 LEU 67 8.837 0.285 -2.309
584 HD23 LEU 67 HD23 LEU 67 9.218 1.274 -3.718
585 H GLU 68 H GLU 68 13.485 -1.468 -5.300
586 HA GLU 68 HA GLU 68 15.894 -0.048 -4.436
587 HB2 GLU 68 HB2 GLU 68 16.951 -1.014 -6.467
588 HB3 GLU 68 HB3 GLU 68 16.394 -2.216 -5.312
589 HG2 GLU 68 HG2 GLU 68 14.391 -2.565 -6.698
590 HG3 GLU 68 HG3 GLU 68 15.039 -1.423 -7.877
591 H HIS 69 H HIS 69 16.129 1.955 -4.957
592 HA HIS 69 HA HIS 69 15.562 2.964 -7.579
593 HB2 HIS 69 HB2 HIS 69 13.305 3.141 -6.603
594 HB3 HIS 69 HB3 HIS 69 13.962 4.039 -5.237
595 HD1 HIS 69 HD1 HIS 69 14.378 6.522 -5.544
596 HD2 HIS 69 HD2 HIS 69 13.237 4.602 -9.057
597 HE1 HIS 69 HE1 HIS 69 13.923 8.357 -7.205
598 HE2 HIS 69 HE2 HIS 69 13.078 7.182 -9.270
599 H HIS 70 H HIS 70 17.380 4.031 -7.928
600 HA HIS 70 HA HIS 70 19.125 4.910 -5.912
601 HB2 HIS 70 HB2 HIS 70 20.462 5.888 -7.648
602 HB3 HIS 70 HB3 HIS 70 19.791 4.392 -8.281
603 HD1 HIS 70 HD1 HIS 70 20.622 7.482 -9.529
604 HD2 HIS 70 HD2 HIS 70 17.067 5.328 -9.622
605 HE1 HIS 70 HE1 HIS 70 19.311 8.421 -11.452
606 HE2 HIS 70 HE2 HIS 70 17.073 7.271 -11.329
607 H HIS 71 H HIS 71 19.263 6.735 -4.749
608 HA HIS 71 HA HIS 71 17.334 8.872 -5.385
609 HB2 HIS 71 HB2 HIS 71 17.387 7.644 -3.086
610 HB3 HIS 71 HB3 HIS 71 18.807 8.638 -2.774
611 HD1 HIS 71 HD1 HIS 71 15.191 8.670 -2.582
612 HD2 HIS 71 HD2 HIS 71 18.192 11.521 -2.937
613 HE1 HIS 71 HE1 HIS 71 14.121 10.856 -1.948
614 HE2 HIS 71 HE2 HIS 71 15.909 12.590 -2.342
615 H HIS 72 H HIS 72 18.081 10.766 -6.095
616 HA HIS 72 HA HIS 72 21.001 11.174 -6.005
617 HB2 HIS 72 HB2 HIS 72 19.949 10.578 -8.241
618 HB3 HIS 72 HB3 HIS 72 19.143 12.140 -8.173
619 HD1 HIS 72 HD1 HIS 72 20.484 14.177 -8.836
620 HD2 HIS 72 HD2 HIS 72 22.791 10.730 -8.523
621 HE1 HIS 72 HE1 HIS 72 22.719 14.765 -9.824
622 HE2 HIS 72 HE2 HIS 72 24.028 12.605 -9.808
623 H HIS 73 H HIS 73 21.733 13.096 -5.250
624 HA HIS 73 HA HIS 73 19.947 15.399 -5.268
625 HB2 HIS 73 HB2 HIS 73 20.481 15.955 -2.900
626 HB3 HIS 73 HB3 HIS 73 19.508 14.504 -3.077
627 HD1 HIS 73 HD1 HIS 73 20.156 13.122 -1.109
628 HD2 HIS 73 HD2 HIS 73 23.477 14.713 -3.050
629 HE1 HIS 73 HE1 HIS 73 22.160 12.128 0.043
630 HE2 HIS 73 HE2 HIS 73 24.153 13.236 -1.037
631 H HIS 74 H HIS 74 20.979 17.396 -5.225
632 HA HIS 74 HA HIS 74 23.906 17.422 -4.988
633 HB2 HIS 74 HB2 HIS 74 22.272 18.286 -7.302
634 HB3 HIS 74 HB3 HIS 74 23.522 19.413 -6.788
635 HD1 HIS 74 HD1 HIS 74 25.866 18.916 -7.483
636 HD2 HIS 74 HD2 HIS 74 23.300 15.706 -8.099
637 HE1 HIS 74 HE1 HIS 74 27.187 17.232 -8.805
638 HE2 HIS 74 HE2 HIS 74 25.506 15.460 -9.420
Start of MODEL 19
1 H1 MET 1 H1 MET 1 -26.279 7.118 -13.493
2 H2 MET 1 H2 MET 1 -24.685 7.657 -13.729
3 H3 MET 1 H3 MET 1 -25.231 7.290 -12.168
4 HA MET 1 HA MET 1 -25.479 4.976 -12.759
5 HB2 MET 1 HB2 MET 1 -24.288 5.873 -15.394
6 HB3 MET 1 HB3 MET 1 -24.500 4.198 -14.907
7 HG2 MET 1 HG2 MET 1 -26.929 4.560 -14.813
8 HG3 MET 1 HG3 MET 1 -26.683 6.212 -15.373
9 HE1 MET 1 HE1 MET 1 -28.269 5.965 -17.444
10 HE2 MET 1 HE2 MET 1 -28.679 4.347 -16.878
11 HE3 MET 1 HE3 MET 1 -28.217 4.603 -18.562
12 H ASN 2 H ASN 2 -23.805 3.617 -12.193
13 HA ASN 2 HA ASN 2 -21.082 4.724 -12.293
14 HB2 ASN 2 HB2 ASN 2 -22.457 3.534 -9.885
15 HB3 ASN 2 HB3 ASN 2 -20.705 3.642 -10.011
16 HD21 ASN 2 HD21 ASN 2 -23.655 5.384 -9.542
17 HD22 ASN 2 HD22 ASN 2 -22.932 6.902 -9.129
18 H GLN 3 H GLN 3 -20.226 3.433 -13.770
19 HA GLN 3 HA GLN 3 -20.298 0.537 -13.219
20 HB2 GLN 3 HB2 GLN 3 -20.001 1.964 -15.871
21 HB3 GLN 3 HB3 GLN 3 -19.747 0.241 -15.652
22 HG2 GLN 3 HG2 GLN 3 -21.901 0.412 -16.511
23 HG3 GLN 3 HG3 GLN 3 -22.141 0.161 -14.784
24 HE21 GLN 3 HE21 GLN 3 -24.190 1.070 -14.834
25 HE22 GLN 3 HE22 GLN 3 -24.441 2.768 -15.034
26 H ASN 4 H ASN 4 -18.437 3.383 -13.675
27 HA ASN 4 HA ASN 4 -15.938 1.818 -13.535
28 HB2 ASN 4 HB2 ASN 4 -16.412 4.536 -14.778
29 HB3 ASN 4 HB3 ASN 4 -14.837 3.770 -14.612
30 HD21 ASN 4 HD21 ASN 4 -15.749 1.115 -15.217
31 HD22 ASN 4 HD22 ASN 4 -16.120 1.081 -16.908
32 H LEU 5 H LEU 5 -14.305 2.566 -12.173
33 HA LEU 5 HA LEU 5 -13.452 3.358 -10.237
34 HB2 LEU 5 HB2 LEU 5 -15.104 5.709 -11.099
35 HB3 LEU 5 HB3 LEU 5 -14.235 5.729 -9.577
36 HG LEU 5 HG LEU 5 -12.133 5.254 -10.906
37 HD11 LEU 5 HD11 LEU 5 -13.910 6.028 -13.213
38 HD12 LEU 5 HD12 LEU 5 -13.176 4.445 -12.956
39 HD13 LEU 5 HD13 LEU 5 -12.157 5.847 -13.271
40 HD21 LEU 5 HD21 LEU 5 -13.613 7.814 -11.434
41 HD22 LEU 5 HD22 LEU 5 -11.867 7.582 -11.527
42 HD23 LEU 5 HD23 LEU 5 -12.698 7.426 -9.978
43 H GLN 6 H GLN 6 -15.366 1.575 -9.984
44 HA GLN 6 HA GLN 6 -17.493 2.360 -8.235
45 HB2 GLN 6 HB2 GLN 6 -18.034 0.019 -8.151
46 HB3 GLN 6 HB3 GLN 6 -17.580 0.412 -9.803
47 HG2 GLN 6 HG2 GLN 6 -15.337 -0.513 -9.380
48 HG3 GLN 6 HG3 GLN 6 -15.852 -0.961 -7.755
49 HE21 GLN 6 HE21 GLN 6 -14.885 -2.698 -9.819
50 HE22 GLN 6 HE22 GLN 6 -16.161 -3.819 -10.161
51 H GLY 7 H GLY 7 -17.578 0.550 -6.221
52 HA2 GLY 7 HA2 GLY 7 -15.604 1.523 -4.375
53 HA3 GLY 7 HA3 GLY 7 -16.867 0.348 -4.029
54 H GLU 8 H GLU 8 -14.058 0.456 -6.202
55 HA GLU 8 HA GLU 8 -13.457 -2.325 -5.791
56 HB2 GLU 8 HB2 GLU 8 -12.994 -0.720 -7.844
57 HB3 GLU 8 HB3 GLU 8 -11.507 -0.382 -6.971
58 HG2 GLU 8 HG2 GLU 8 -10.926 -2.070 -8.449
59 HG3 GLU 8 HG3 GLU 8 -11.174 -2.911 -6.920
60 H TRP 9 H TRP 9 -12.356 0.751 -4.600
61 HA TRP 9 HA TRP 9 -9.931 0.232 -3.459
62 HB2 TRP 9 HB2 TRP 9 -10.704 2.448 -3.397
63 HB3 TRP 9 HB3 TRP 9 -12.200 2.003 -2.590
64 HD1 TRP 9 HD1 TRP 9 -12.207 2.905 -0.217
65 HE1 TRP 9 HE1 TRP 9 -10.502 3.126 1.695
66 HE3 TRP 9 HE3 TRP 9 -8.080 1.083 -2.621
67 HZ2 TRP 9 HZ2 TRP 9 -7.760 2.585 2.120
68 HZ3 TRP 9 HZ3 TRP 9 -5.955 0.965 -1.390
69 HH2 TRP 9 HH2 TRP 9 -5.800 1.703 0.933
70 H MET 10 H MET 10 -13.086 -0.272 -1.885
71 HA MET 10 HA MET 10 -12.171 -1.071 0.607
72 HB2 MET 10 HB2 MET 10 -14.557 -0.653 -0.018
73 HB3 MET 10 HB3 MET 10 -14.580 -2.218 -0.806
74 HG2 MET 10 HG2 MET 10 -15.574 -2.554 1.284
75 HG3 MET 10 HG3 MET 10 -13.946 -3.212 1.428
76 HE1 MET 10 HE1 MET 10 -11.985 -0.916 2.035
77 HE2 MET 10 HE2 MET 10 -12.132 -2.345 3.057
78 HE3 MET 10 HE3 MET 10 -12.139 -0.738 3.783
79 H LYS 11 H LYS 11 -12.587 -2.948 -2.334
80 HA LYS 11 HA LYS 11 -11.875 -5.433 -1.121
81 HB2 LYS 11 HB2 LYS 11 -13.308 -5.378 -3.086
82 HB3 LYS 11 HB3 LYS 11 -12.054 -4.589 -4.020
83 HG2 LYS 11 HG2 LYS 11 -11.476 -7.251 -2.820
84 HG3 LYS 11 HG3 LYS 11 -12.512 -7.161 -4.243
85 HD2 LYS 11 HD2 LYS 11 -9.708 -6.066 -4.012
86 HD3 LYS 11 HD3 LYS 11 -10.188 -7.524 -4.885
87 HE2 LYS 11 HE2 LYS 11 -11.200 -4.750 -5.494
88 HE3 LYS 11 HE3 LYS 11 -9.866 -5.530 -6.340
89 HZ1 LYS 11 HZ1 LYS 11 -12.557 -6.759 -6.180
90 HZ2 LYS 11 HZ2 LYS 11 -11.289 -7.128 -7.247
91 HZ3 LYS 11 HZ3 LYS 11 -12.138 -5.665 -7.406
92 H ASN 12 H ASN 12 -10.239 -2.992 -3.058
93 HA ASN 12 HA ASN 12 -7.804 -4.304 -3.458
94 HB2 ASN 12 HB2 ASN 12 -8.400 -1.349 -3.226
95 HB3 ASN 12 HB3 ASN 12 -6.842 -1.996 -3.712
96 HD21 ASN 12 HD21 ASN 12 -8.628 -0.295 -5.211
97 HD22 ASN 12 HD22 ASN 12 -9.014 -1.157 -6.656
98 H TYR 13 H TYR 13 -8.924 -2.302 -0.773
99 HA TYR 13 HA TYR 13 -6.520 -2.204 0.671
100 HB2 TYR 13 HB2 TYR 13 -8.457 -0.808 1.234
101 HB3 TYR 13 HB3 TYR 13 -9.366 -2.239 1.704
102 HD1 TYR 13 HD1 TYR 13 -6.185 -0.458 2.533
103 HD2 TYR 13 HD2 TYR 13 -9.427 -2.831 3.942
104 HE1 TYR 13 HE1 TYR 13 -5.341 -0.241 4.832
105 HE2 TYR 13 HE2 TYR 13 -8.593 -2.615 6.244
106 HH TYR 13 HH TYR 13 -6.225 -0.383 7.139
107 H GLU 14 H GLU 14 -9.214 -4.518 0.844
108 HA GLU 14 HA GLU 14 -8.049 -6.203 2.781
109 HB2 GLU 14 HB2 GLU 14 -10.164 -6.667 0.688
110 HB3 GLU 14 HB3 GLU 14 -9.664 -7.923 1.812
111 HG2 GLU 14 HG2 GLU 14 -10.832 -5.252 2.558
112 HG3 GLU 14 HG3 GLU 14 -11.681 -6.799 2.566
113 H GLU 15 H GLU 15 -7.935 -6.164 -0.738
114 HA GLU 15 HA GLU 15 -6.584 -8.580 -1.162
115 HB2 GLU 15 HB2 GLU 15 -7.648 -7.034 -2.892
116 HB3 GLU 15 HB3 GLU 15 -6.192 -6.058 -2.776
117 HG2 GLU 15 HG2 GLU 15 -5.876 -7.415 -4.642
118 HG3 GLU 15 HG3 GLU 15 -4.911 -8.159 -3.368
119 H LEU 16 H LEU 16 -5.393 -5.294 -0.629
120 HA LEU 16 HA LEU 16 -2.655 -5.789 -0.803
121 HB2 LEU 16 HB2 LEU 16 -3.520 -3.553 -0.775
122 HB3 LEU 16 HB3 LEU 16 -4.209 -3.783 0.819
123 HG LEU 16 HG LEU 16 -1.833 -4.090 1.657
124 HD11 LEU 16 HD11 LEU 16 -0.794 -4.530 -0.515
125 HD12 LEU 16 HD12 LEU 16 -0.047 -3.162 0.305
126 HD13 LEU 16 HD13 LEU 16 -1.172 -2.884 -1.025
127 HD21 LEU 16 HD21 LEU 16 -3.114 -2.081 2.069
128 HD22 LEU 16 HD22 LEU 16 -2.650 -1.435 0.492
129 HD23 LEU 16 HD23 LEU 16 -1.426 -1.677 1.743
130 H LYS 17 H LYS 17 -4.796 -5.838 2.036
131 HA LYS 17 HA LYS 17 -2.936 -6.459 4.007
132 HB2 LYS 17 HB2 LYS 17 -5.785 -7.435 3.752
133 HB3 LYS 17 HB3 LYS 17 -4.821 -7.498 5.222
134 HG2 LYS 17 HG2 LYS 17 -4.835 -5.169 5.459
135 HG3 LYS 17 HG3 LYS 17 -5.401 -4.924 3.803
136 HD2 LYS 17 HD2 LYS 17 -7.197 -4.589 5.413
137 HD3 LYS 17 HD3 LYS 17 -7.530 -5.955 4.361
138 HE2 LYS 17 HE2 LYS 17 -6.767 -7.484 6.114
139 HE3 LYS 17 HE3 LYS 17 -6.451 -6.108 7.172
140 HZ1 LYS 17 HZ1 LYS 17 -8.725 -5.625 7.326
141 HZ2 LYS 17 HZ2 LYS 17 -8.641 -7.310 7.486
142 HZ3 LYS 17 HZ3 LYS 17 -9.130 -6.617 6.013
143 H SER 18 H SER 18 -4.991 -8.692 2.199
144 HA SER 18 HA SER 18 -3.900 -11.084 3.108
145 HB2 SER 18 HB2 SER 18 -5.974 -10.989 1.827
146 HB3 SER 18 HB3 SER 18 -5.098 -10.440 0.402
147 HG SER 18 HG SER 18 -5.264 -12.559 0.056
148 H PHE 19 H PHE 19 -2.950 -9.126 0.296
149 HA PHE 19 HA PHE 19 -1.007 -10.920 -0.691
150 HB2 PHE 19 HB2 PHE 19 -2.110 -9.025 -1.944
151 HB3 PHE 19 HB3 PHE 19 -1.048 -7.926 -1.076
152 HD1 PHE 19 HD2 PHE 19 -1.237 -10.537 -3.628
153 HD2 PHE 19 HD1 PHE 19 1.287 -7.760 -1.624
154 HE1 PHE 19 HE2 PHE 19 0.482 -10.859 -5.359
155 HE2 PHE 19 HE1 PHE 19 3.007 -8.070 -3.354
156 HZ PHE 19 HZ PHE 19 2.607 -9.620 -5.223
157 H VAL 20 H VAL 20 -0.721 -8.030 1.367
158 HA VAL 20 HA VAL 20 2.108 -8.164 1.559
159 HB VAL 20 HB VAL 20 0.712 -6.110 2.016
160 HG11 VAL 20 HG11 VAL 20 -0.057 -5.781 4.335
161 HG12 VAL 20 HG12 VAL 20 0.277 -7.483 4.660
162 HG13 VAL 20 HG13 VAL 20 -0.957 -7.035 3.481
163 HG21 VAL 20 HG21 VAL 20 2.741 -6.885 4.104
164 HG22 VAL 20 HG22 VAL 20 2.238 -5.243 3.703
165 HG23 VAL 20 HG23 VAL 20 3.095 -6.220 2.508
166 H ARG 21 H ARG 21 -0.496 -9.595 3.430
167 HA ARG 21 HA ARG 21 1.140 -10.466 5.593
168 HB2 ARG 21 HB2 ARG 21 -1.366 -10.202 5.627
169 HB3 ARG 21 HB3 ARG 21 -1.479 -11.652 4.647
170 HG2 ARG 21 HG2 ARG 21 -0.008 -11.784 7.230
171 HG3 ARG 21 HG3 ARG 21 -1.770 -11.734 7.250
172 HD2 ARG 21 HD2 ARG 21 -1.749 -13.674 5.661
173 HD3 ARG 21 HD3 ARG 21 -0.005 -13.773 5.903
174 HE ARG 21 HE ARG 21 -0.897 -13.876 8.424
175 HH11 ARG 21 HH11 ARG 21 -1.849 -15.642 5.549
176 HH12 ARG 21 HH12 ARG 21 -2.436 -17.022 6.429
177 HH21 ARG 21 HH21 ARG 21 -1.679 -15.679 9.590
178 HH22 ARG 21 HH22 ARG 21 -2.344 -17.037 8.734
179 H LYS 22 H LYS 22 0.760 -11.506 2.383
180 HA LYS 22 HA LYS 22 1.369 -14.280 2.870
181 HB2 LYS 22 HB2 LYS 22 0.692 -12.604 0.497
182 HB3 LYS 22 HB3 LYS 22 1.468 -14.154 0.250
183 HG2 LYS 22 HG2 LYS 22 -0.344 -15.276 1.412
184 HG3 LYS 22 HG3 LYS 22 -1.107 -13.720 1.743
185 HD2 LYS 22 HD2 LYS 22 -1.306 -13.345 -0.699
186 HD3 LYS 22 HD3 LYS 22 -0.649 -14.963 -0.970
187 HE2 LYS 22 HE2 LYS 22 -2.527 -15.904 0.317
188 HE3 LYS 22 HE3 LYS 22 -3.193 -14.283 0.505
189 HZ1 LYS 22 HZ1 LYS 22 -3.294 -14.161 -1.965
190 HZ2 LYS 22 HZ2 LYS 22 -4.310 -15.344 -1.288
191 HZ3 LYS 22 HZ3 LYS 22 -2.855 -15.797 -2.024
192 H TYR 23 H TYR 23 2.894 -11.702 0.906
193 HA TYR 23 HA TYR 23 5.401 -13.221 0.997
194 HB2 TYR 23 HB2 TYR 23 4.743 -10.743 -0.604
195 HB3 TYR 23 HB3 TYR 23 6.172 -11.750 -0.776
196 HD1 TYR 23 HD1 TYR 23 5.753 -14.224 -1.474
197 HD2 TYR 23 HD2 TYR 23 2.906 -11.103 -1.945
198 HE1 TYR 23 HE1 TYR 23 4.620 -15.531 -3.227
199 HE2 TYR 23 HE2 TYR 23 1.757 -12.400 -3.684
200 HH TYR 23 HH TYR 23 2.448 -14.227 -5.359
201 H ARG 24 H ARG 24 3.881 -10.600 2.473
202 HA ARG 24 HA ARG 24 4.474 -8.750 3.586
203 HB2 ARG 24 HB2 ARG 24 6.533 -10.688 4.287
204 HB3 ARG 24 HB3 ARG 24 7.090 -9.023 4.427
205 HG2 ARG 24 HG2 ARG 24 6.210 -9.532 6.528
206 HG3 ARG 24 HG3 ARG 24 4.951 -8.591 5.732
207 HD2 ARG 24 HD2 ARG 24 3.784 -10.337 6.708
208 HD3 ARG 24 HD3 ARG 24 3.979 -10.858 5.036
209 HE ARG 24 HE ARG 24 5.284 -12.595 5.755
210 HH11 ARG 24 HH11 ARG 24 4.963 -10.267 8.359
211 HH12 ARG 24 HH12 ARG 24 5.751 -11.273 9.531
212 HH21 ARG 24 HH21 ARG 24 6.297 -13.927 7.291
213 HH22 ARG 24 HH22 ARG 24 6.537 -13.354 8.922
214 H ARG 25 H ARG 25 4.416 -7.228 2.150
215 HA ARG 25 HA ARG 25 4.952 -5.705 0.603
216 HB2 ARG 25 HB2 ARG 25 6.683 -4.990 2.023
217 HB3 ARG 25 HB3 ARG 25 7.689 -6.373 1.628
218 HG2 ARG 25 HG2 ARG 25 7.958 -5.502 -0.643
219 HG3 ARG 25 HG3 ARG 25 6.992 -4.089 -0.194
220 HD2 ARG 25 HD2 ARG 25 8.578 -3.407 1.396
221 HD3 ARG 25 HD3 ARG 25 9.455 -4.930 1.277
222 HE ARG 25 HE ARG 25 9.388 -3.629 -1.241
223 HH11 ARG 25 HH11 ARG 25 10.872 -3.353 1.905
224 HH12 ARG 25 HH12 ARG 25 12.377 -2.737 1.294
225 HH21 ARG 25 HH21 ARG 25 11.342 -2.813 -2.073
226 HH22 ARG 25 HH22 ARG 25 12.639 -2.426 -0.981
227 H PHE 26 H PHE 26 5.761 -5.382 -1.492
228 HA PHE 26 HA PHE 26 6.616 -7.818 -2.892
229 HB2 PHE 26 HB2 PHE 26 5.474 -6.703 -4.921
230 HB3 PHE 26 HB3 PHE 26 4.439 -7.442 -3.705
231 HD1 PHE 26 HD2 PHE 26 5.722 -4.219 -4.975
232 HD2 PHE 26 HD1 PHE 26 2.869 -6.167 -2.497
233 HE1 PHE 26 HE2 PHE 26 4.495 -2.099 -4.730
234 HE2 PHE 26 HE1 PHE 26 1.638 -4.054 -2.242
235 HZ PHE 26 HZ PHE 26 2.454 -2.017 -3.361
236 HA PRO 27 HA PRO 27 10.109 -5.355 -4.052
237 HB2 PRO 27 HB2 PRO 27 10.564 -7.087 -6.336
238 HB3 PRO 27 HB3 PRO 27 11.482 -6.976 -4.834
239 HG2 PRO 27 HG2 PRO 27 9.961 -9.136 -5.512
240 HG3 PRO 27 HG3 PRO 27 10.299 -8.663 -3.837
241 HD2 PRO 27 HD2 PRO 27 7.842 -8.208 -5.482
242 HD3 PRO 27 HD3 PRO 27 7.988 -8.625 -3.761
243 H LYS 28 H LYS 28 8.325 -6.630 -6.834
244 HA LYS 28 HA LYS 28 7.832 -3.980 -7.875
245 HB2 LYS 28 HB2 LYS 28 10.052 -4.451 -8.783
246 HB3 LYS 28 HB3 LYS 28 9.509 -6.011 -9.377
247 HG2 LYS 28 HG2 LYS 28 8.119 -4.977 -11.024
248 HG3 LYS 28 HG3 LYS 28 8.412 -3.377 -10.336
249 HD2 LYS 28 HD2 LYS 28 10.746 -3.494 -10.939
250 HD3 LYS 28 HD3 LYS 28 10.556 -5.156 -11.494
251 HE2 LYS 28 HE2 LYS 28 9.066 -2.834 -12.694
252 HE3 LYS 28 HE3 LYS 28 10.626 -3.395 -13.294
253 HZ1 LYS 28 HZ1 LYS 28 9.630 -5.579 -13.676
254 HZ2 LYS 28 HZ2 LYS 28 8.842 -4.368 -14.564
255 HZ3 LYS 28 HZ3 LYS 28 8.124 -4.994 -13.160
256 H SER 29 H SER 29 5.658 -4.253 -7.952
257 HA SER 29 HA SER 29 4.669 -6.879 -8.820
258 HB2 SER 29 HB2 SER 29 4.074 -6.218 -6.514
259 HB3 SER 29 HB3 SER 29 3.253 -4.791 -7.143
260 HG SER 29 HG SER 29 2.097 -6.983 -6.708
261 H THR 30 H THR 30 3.406 -7.107 -10.500
262 HA THR 30 HA THR 30 1.940 -4.783 -11.547
263 HB THR 30 HB THR 30 2.209 -6.315 -13.767
264 HG1 THR 30 HG1 THR 30 3.877 -7.504 -12.295
265 HG21 THR 30 HG21 THR 30 4.133 -4.182 -12.847
266 HG22 THR 30 HG22 THR 30 2.577 -3.908 -13.628
267 HG23 THR 30 HG23 THR 30 3.882 -4.693 -14.517
268 H GLU 31 H GLU 31 1.325 -7.004 -9.681
269 HA GLU 31 HA GLU 31 -0.423 -8.787 -11.144
270 HB2 GLU 31 HB2 GLU 31 0.951 -9.617 -9.276
271 HB3 GLU 31 HB3 GLU 31 0.103 -8.541 -8.177
272 HG2 GLU 31 HG2 GLU 31 -0.754 -10.772 -7.945
273 HG3 GLU 31 HG3 GLU 31 -1.992 -9.736 -8.652
274 H GLY 32 H GLY 32 -1.918 -7.262 -11.960
275 HA2 GLY 32 HA2 GLY 32 -3.945 -6.201 -11.987
276 HA3 GLY 32 HA3 GLY 32 -4.354 -7.311 -10.694
277 H ASN 33 H ASN 33 -4.770 -6.542 -8.762
278 HA ASN 33 HA ASN 33 -5.295 -3.793 -8.439
279 HB2 ASN 33 HB2 ASN 33 -5.148 -5.963 -6.330
280 HB3 ASN 33 HB3 ASN 33 -5.900 -4.385 -6.125
281 HD21 ASN 33 HD21 ASN 33 -7.005 -7.133 -5.973
282 HD22 ASN 33 HD22 ASN 33 -8.339 -7.139 -7.075
283 H LEU 34 H LEU 34 -2.755 -5.880 -7.144
284 HA LEU 34 HA LEU 34 -1.572 -3.790 -5.575
285 HB2 LEU 34 HB2 LEU 34 -0.611 -6.539 -6.346
286 HB3 LEU 34 HB3 LEU 34 0.334 -5.443 -5.364
287 HG LEU 34 HG LEU 34 -0.693 -6.916 -3.846
288 HD11 LEU 34 HD11 LEU 34 -2.244 -5.498 -2.566
289 HD12 LEU 34 HD12 LEU 34 -2.351 -4.402 -3.946
290 HD13 LEU 34 HD13 LEU 34 -0.813 -4.621 -3.110
291 HD21 LEU 34 HD21 LEU 34 -3.119 -7.373 -3.826
292 HD22 LEU 34 HD22 LEU 34 -2.325 -7.940 -5.296
293 HD23 LEU 34 HD23 LEU 34 -3.280 -6.457 -5.327
294 H GLY 35 H GLY 35 -1.259 -4.982 -8.792
295 HA2 GLY 35 HA2 GLY 35 1.243 -3.899 -9.490
296 HA3 GLY 35 HA3 GLY 35 -0.084 -4.203 -10.606
297 H GLY 36 H GLY 36 -1.980 -2.458 -9.369
298 HA2 GLY 36 HA2 GLY 36 -1.138 0.043 -10.487
299 HA3 GLY 36 HA3 GLY 36 -2.653 -0.263 -9.649
300 H TRP 37 H TRP 37 -1.528 -1.232 -7.221
301 HA TRP 37 HA TRP 37 -1.063 1.105 -5.769
302 HB2 TRP 37 HB2 TRP 37 -0.900 -1.788 -5.251
303 HB3 TRP 37 HB3 TRP 37 0.114 -0.791 -4.212
304 HD1 TRP 37 HD1 TRP 37 -3.589 -0.905 -5.357
305 HE1 TRP 37 HE1 TRP 37 -5.032 -0.076 -3.408
306 HE3 TRP 37 HE3 TRP 37 0.112 0.246 -2.010
307 HZ2 TRP 37 HZ2 TRP 37 -4.665 0.897 -0.785
308 HZ3 TRP 37 HZ3 TRP 37 -0.527 1.112 0.196
309 HH2 TRP 37 HH2 TRP 37 -2.868 1.433 0.794
310 H CYS 38 H CYS 38 1.203 -1.363 -6.915
311 HA CYS 38 HA CYS 38 3.566 -0.212 -5.947
312 HB2 CYS 38 HB2 CYS 38 3.404 -2.535 -6.705
313 HB3 CYS 38 HB3 CYS 38 3.127 -1.992 -8.354
314 HG CYS 38 HG CYS 38 5.603 -1.475 -9.010
315 H HIS 39 H HIS 39 1.844 0.234 -8.998
316 HA HIS 39 HA HIS 39 3.894 1.737 -10.256
317 HB2 HIS 39 HB2 HIS 39 1.059 1.097 -10.846
318 HB3 HIS 39 HB3 HIS 39 1.745 2.506 -11.648
319 HD1 HIS 39 HD1 HIS 39 1.377 -1.028 -12.065
320 HD2 HIS 39 HD2 HIS 39 4.294 1.770 -13.022
321 HE1 HIS 39 HE1 HIS 39 2.779 -2.102 -13.859
322 HE2 HIS 39 HE2 HIS 39 4.424 -0.316 -14.543
323 H THR 40 H THR 40 0.954 2.681 -8.517
324 HA THR 40 HA THR 40 1.334 5.451 -9.201
325 HB THR 40 HB THR 40 -0.658 4.186 -7.311
326 HG1 THR 40 HG1 THR 40 -0.736 4.786 -10.096
327 HG21 THR 40 HG21 THR 40 -1.966 6.231 -7.692
328 HG22 THR 40 HG22 THR 40 -0.647 6.890 -8.658
329 HG23 THR 40 HG23 THR 40 -0.412 6.589 -6.937
330 H GLN 41 H GLN 41 1.368 3.628 -6.102
331 HA GLN 41 HA GLN 41 1.825 6.102 -4.717
332 HB2 GLN 41 HB2 GLN 41 1.256 3.315 -3.870
333 HB3 GLN 41 HB3 GLN 41 1.870 4.481 -2.698
334 HG2 GLN 41 HG2 GLN 41 0.042 5.929 -3.026
335 HG3 GLN 41 HG3 GLN 41 -0.487 5.051 -4.459
336 HE21 GLN 41 HE21 GLN 41 -1.611 3.188 -4.254
337 HE22 GLN 41 HE22 GLN 41 -2.274 2.665 -2.753
338 H ARG 42 H ARG 42 3.885 3.602 -5.899
339 HA ARG 42 HA ARG 42 6.031 3.947 -4.087
340 HB2 ARG 42 HB2 ARG 42 5.893 2.044 -5.651
341 HB3 ARG 42 HB3 ARG 42 6.124 3.139 -7.004
342 HG2 ARG 42 HG2 ARG 42 8.200 3.168 -4.898
343 HG3 ARG 42 HG3 ARG 42 8.105 1.729 -5.913
344 HD2 ARG 42 HD2 ARG 42 8.261 4.534 -7.005
345 HD3 ARG 42 HD3 ARG 42 9.675 3.521 -6.712
346 HE ARG 42 HE ARG 42 8.651 1.915 -8.325
347 HH11 ARG 42 HH11 ARG 42 7.847 5.321 -8.444
348 HH12 ARG 42 HH12 ARG 42 7.403 5.296 -10.123
349 HH21 ARG 42 HH21 ARG 42 8.118 1.880 -10.547
350 HH22 ARG 42 HH22 ARG 42 7.622 3.345 -11.340
351 H LYS 43 H LYS 43 4.945 5.714 -6.891
352 HA LYS 43 HA LYS 43 7.255 7.377 -7.135
353 HB2 LYS 43 HB2 LYS 43 5.818 6.912 -9.024
354 HB3 LYS 43 HB3 LYS 43 4.427 7.560 -8.172
355 HG2 LYS 43 HG2 LYS 43 5.884 9.734 -8.110
356 HG3 LYS 43 HG3 LYS 43 6.667 8.972 -9.501
357 HD2 LYS 43 HD2 LYS 43 3.724 9.544 -9.183
358 HD3 LYS 43 HD3 LYS 43 4.851 10.385 -10.233
359 HE2 LYS 43 HE2 LYS 43 4.314 7.446 -10.451
360 HE3 LYS 43 HE3 LYS 43 3.379 8.650 -11.327
361 HZ1 LYS 43 HZ1 LYS 43 5.444 9.406 -12.381
362 HZ2 LYS 43 HZ2 LYS 43 5.144 7.768 -12.702
363 HZ3 LYS 43 HZ3 LYS 43 6.311 8.203 -11.553
364 H MET 44 H MET 44 3.994 7.719 -5.801
365 HA MET 44 HA MET 44 4.125 10.411 -5.055
366 HB2 MET 44 HB2 MET 44 2.571 8.316 -3.539
367 HB3 MET 44 HB3 MET 44 2.176 10.016 -3.752
368 HG2 MET 44 HG2 MET 44 2.042 7.818 -5.785
369 HG3 MET 44 HG3 MET 44 0.723 8.794 -5.138
370 HE1 MET 44 HE1 MET 44 1.739 8.136 -8.257
371 HE2 MET 44 HE2 MET 44 1.244 9.648 -9.020
372 HE3 MET 44 HE3 MET 44 0.176 8.853 -7.860
373 H ARG 45 H ARG 45 5.340 7.547 -3.486
374 HA ARG 45 HA ARG 45 5.777 8.639 -0.912
375 HB2 ARG 45 HB2 ARG 45 5.895 6.200 -1.502
376 HB3 ARG 45 HB3 ARG 45 7.442 6.516 -2.270
377 HG2 ARG 45 HG2 ARG 45 8.281 7.359 -0.077
378 HG3 ARG 45 HG3 ARG 45 6.764 6.820 0.644
379 HD2 ARG 45 HD2 ARG 45 7.268 4.533 -0.246
380 HD3 ARG 45 HD3 ARG 45 8.861 5.131 -0.702
381 HE ARG 45 HE ARG 45 7.872 5.007 2.076
382 HH11 ARG 45 HH11 ARG 45 10.503 4.999 -0.224
383 HH12 ARG 45 HH12 ARG 45 11.678 4.454 0.928
384 HH21 ARG 45 HH21 ARG 45 9.424 4.301 3.608
385 HH22 ARG 45 HH22 ARG 45 11.073 4.053 3.099
386 H LYS 46 H LYS 46 7.901 8.353 -3.737
387 HA LYS 46 HA LYS 46 10.141 9.623 -2.567
388 HB2 LYS 46 HB2 LYS 46 10.028 8.137 -4.657
389 HB3 LYS 46 HB3 LYS 46 9.476 9.565 -5.514
390 HG2 LYS 46 HG2 LYS 46 12.073 9.507 -4.006
391 HG3 LYS 46 HG3 LYS 46 11.937 8.971 -5.678
392 HD2 LYS 46 HD2 LYS 46 11.217 11.717 -4.655
393 HD3 LYS 46 HD3 LYS 46 12.704 11.299 -5.504
394 HE2 LYS 46 HE2 LYS 46 9.924 11.008 -6.633
395 HE3 LYS 46 HE3 LYS 46 11.011 12.354 -6.964
396 HZ1 LYS 46 HZ1 LYS 46 12.576 10.801 -7.954
397 HZ2 LYS 46 HZ2 LYS 46 11.072 10.720 -8.729
398 HZ3 LYS 46 HZ3 LYS 46 11.528 9.506 -7.638
399 H GLN 47 H GLN 47 7.336 10.754 -4.307
400 HA GLN 47 HA GLN 47 8.308 13.465 -4.518
401 HB2 GLN 47 HB2 GLN 47 5.677 12.166 -5.208
402 HB3 GLN 47 HB3 GLN 47 5.997 13.877 -5.449
403 HG2 GLN 47 HG2 GLN 47 7.873 13.291 -6.932
404 HG3 GLN 47 HG3 GLN 47 7.482 11.585 -6.716
405 HE21 GLN 47 HE21 GLN 47 4.613 12.091 -6.705
406 HE22 GLN 47 HE22 GLN 47 4.167 12.416 -8.345
407 H GLY 48 H GLY 48 7.175 11.752 -1.981
408 HA2 GLY 48 HA2 GLY 48 6.421 12.335 0.104
409 HA3 GLY 48 HA3 GLY 48 6.935 13.969 -0.292
410 H LYS 49 H LYS 49 4.445 12.175 -2.018
411 HA LYS 49 HA LYS 49 2.471 14.066 -0.914
412 HB2 LYS 49 HB2 LYS 49 1.255 13.756 -3.105
413 HB3 LYS 49 HB3 LYS 49 2.744 14.684 -3.171
414 HG2 LYS 49 HG2 LYS 49 3.930 12.804 -4.098
415 HG3 LYS 49 HG3 LYS 49 2.510 11.773 -3.902
416 HD2 LYS 49 HD2 LYS 49 2.567 14.256 -5.608
417 HD3 LYS 49 HD3 LYS 49 2.864 12.629 -6.224
418 HE2 LYS 49 HE2 LYS 49 0.657 11.928 -5.533
419 HE3 LYS 49 HE3 LYS 49 0.359 13.498 -4.793
420 HZ1 LYS 49 HZ1 LYS 49 -0.672 13.224 -7.010
421 HZ2 LYS 49 HZ2 LYS 49 0.875 13.090 -7.693
422 HZ3 LYS 49 HZ3 LYS 49 0.401 14.532 -6.936
423 H LEU 50 H LEU 50 3.414 10.980 -0.862
424 HA LEU 50 HA LEU 50 1.046 9.468 -0.947
425 HB2 LEU 50 HB2 LEU 50 3.745 9.167 0.095
426 HB3 LEU 50 HB3 LEU 50 2.566 8.432 1.159
427 HG LEU 50 HG LEU 50 3.104 7.749 -1.729
428 HD11 LEU 50 HD11 LEU 50 4.698 6.840 -0.129
429 HD12 LEU 50 HD12 LEU 50 3.678 5.560 -0.782
430 HD13 LEU 50 HD13 LEU 50 3.376 6.184 0.839
431 HD21 LEU 50 HD21 LEU 50 1.395 6.031 -1.499
432 HD22 LEU 50 HD22 LEU 50 0.702 7.641 -1.304
433 HD23 LEU 50 HD23 LEU 50 0.997 6.629 0.111
434 HA PRO 51 HA PRO 51 -1.051 10.865 2.809
435 HB2 PRO 51 HB2 PRO 51 -2.195 8.143 2.786
436 HB3 PRO 51 HB3 PRO 51 -3.018 9.706 2.773
437 HG2 PRO 51 HG2 PRO 51 -2.939 8.142 0.596
438 HG3 PRO 51 HG3 PRO 51 -2.877 9.911 0.477
439 HD2 PRO 51 HD2 PRO 51 -0.664 7.912 0.245
440 HD3 PRO 51 HD3 PRO 51 -0.938 9.407 -0.668
441 H ASN 52 H ASN 52 0.051 10.881 4.638
442 HA ASN 52 HA ASN 52 1.939 9.029 5.493
443 HB2 ASN 52 HB2 ASN 52 1.653 11.390 6.310
444 HB3 ASN 52 HB3 ASN 52 0.287 10.835 7.271
445 HD21 ASN 52 HD21 ASN 52 3.720 10.812 6.886
446 HD22 ASN 52 HD22 ASN 52 4.097 10.161 8.439
447 H ASP 53 H ASP 53 -1.510 9.195 6.017
448 HA ASP 53 HA ASP 53 -1.829 7.290 8.036
449 HB2 ASP 53 HB2 ASP 53 -3.664 7.854 5.696
450 HB3 ASP 53 HB3 ASP 53 -4.116 6.992 7.160
451 H ARG 54 H ARG 54 -1.547 6.916 4.535
452 HA ARG 54 HA ARG 54 -2.076 4.154 4.403
453 HB2 ARG 54 HB2 ARG 54 -0.447 5.956 2.611
454 HB3 ARG 54 HB3 ARG 54 -0.782 4.269 2.240
455 HG2 ARG 54 HG2 ARG 54 -2.843 6.425 2.632
456 HG3 ARG 54 HG3 ARG 54 -2.325 5.745 1.086
457 HD2 ARG 54 HD2 ARG 54 -3.206 3.620 1.624
458 HD3 ARG 54 HD3 ARG 54 -3.465 4.073 3.307
459 HE ARG 54 HE ARG 54 -4.942 5.483 1.186
460 HH11 ARG 54 HH11 ARG 54 -4.907 3.353 3.960
461 HH12 ARG 54 HH12 ARG 54 -6.624 3.435 4.222
462 HH21 ARG 54 HH21 ARG 54 -7.212 5.620 1.537
463 HH22 ARG 54 HH22 ARG 54 -7.922 4.744 2.855
464 H ARG 55 H ARG 55 0.977 5.921 4.562
465 HA ARG 55 HA ARG 55 2.723 3.767 4.552
466 HB2 ARG 55 HB2 ARG 55 3.325 6.203 4.406
467 HB3 ARG 55 HB3 ARG 55 3.084 6.317 6.140
468 HG2 ARG 55 HG2 ARG 55 5.014 4.329 5.020
469 HG3 ARG 55 HG3 ARG 55 5.472 6.023 5.185
470 HD2 ARG 55 HD2 ARG 55 5.020 5.949 7.556
471 HD3 ARG 55 HD3 ARG 55 4.436 4.292 7.420
472 HE ARG 55 HE ARG 55 7.018 4.276 6.431
473 HH11 ARG 55 HH11 ARG 55 5.492 5.115 9.480
474 HH12 ARG 55 HH12 ARG 55 6.852 4.606 10.437
475 HH21 ARG 55 HH21 ARG 55 8.813 3.612 7.717
476 HH22 ARG 55 HH22 ARG 55 8.721 3.784 9.446
477 H LEU 56 H LEU 56 0.905 5.169 7.231
478 HA LEU 56 HA LEU 56 2.102 3.612 9.284
479 HB2 LEU 56 HB2 LEU 56 0.751 5.752 9.529
480 HB3 LEU 56 HB3 LEU 56 -0.684 4.776 9.300
481 HG LEU 56 HG LEU 56 1.284 4.236 11.522
482 HD11 LEU 56 HD11 LEU 56 0.507 6.539 11.723
483 HD12 LEU 56 HD12 LEU 56 -0.168 5.518 12.994
484 HD13 LEU 56 HD13 LEU 56 -1.167 5.990 11.618
485 HD21 LEU 56 HD21 LEU 56 -1.636 3.536 11.184
486 HD22 LEU 56 HD22 LEU 56 -0.627 3.134 12.572
487 HD23 LEU 56 HD23 LEU 56 -0.280 2.425 10.997
488 H LEU 57 H LEU 57 -0.998 3.272 7.545
489 HA LEU 57 HA LEU 57 -1.795 0.883 8.778
490 HB2 LEU 57 HB2 LEU 57 -2.570 2.330 6.304
491 HB3 LEU 57 HB3 LEU 57 -3.056 0.653 6.436
492 HG LEU 57 HG LEU 57 -4.229 1.170 8.551
493 HD11 LEU 57 HD11 LEU 57 -4.597 3.483 9.212
494 HD12 LEU 57 HD12 LEU 57 -3.514 4.031 7.931
495 HD13 LEU 57 HD13 LEU 57 -2.882 3.073 9.270
496 HD21 LEU 57 HD21 LEU 57 -5.024 2.891 6.208
497 HD22 LEU 57 HD22 LEU 57 -6.075 2.419 7.545
498 HD23 LEU 57 HD23 LEU 57 -5.442 1.195 6.444
499 H LEU 58 H LEU 58 0.120 1.442 5.860
500 HA LEU 58 HA LEU 58 0.281 -1.226 4.993
501 HB2 LEU 58 HB2 LEU 58 1.831 1.258 4.525
502 HB3 LEU 58 HB3 LEU 58 2.645 -0.249 4.155
503 HG LEU 58 HG LEU 58 1.565 0.765 2.187
504 HD11 LEU 58 HD11 LEU 58 1.913 -1.607 2.185
505 HD12 LEU 58 HD12 LEU 58 0.346 -1.256 1.448
506 HD13 LEU 58 HD13 LEU 58 0.425 -1.867 3.101
507 HD21 LEU 58 HD21 LEU 58 -0.871 0.750 1.985
508 HD22 LEU 58 HD22 LEU 58 -0.338 1.819 3.283
509 HD23 LEU 58 HD23 LEU 58 -1.007 0.232 3.668
510 H ASP 59 H ASP 59 2.243 0.612 7.282
511 HA ASP 59 HA ASP 59 4.178 -1.412 7.711
512 HB2 ASP 59 HB2 ASP 59 4.637 0.880 8.358
513 HB3 ASP 59 HB3 ASP 59 3.287 0.868 9.489
514 H LYS 60 H LYS 60 1.047 -0.719 9.132
515 HA LYS 60 HA LYS 60 1.250 -2.431 11.349
516 HB2 LYS 60 HB2 LYS 60 -0.425 -0.747 11.380
517 HB3 LYS 60 HB3 LYS 60 -1.088 -1.272 9.841
518 HG2 LYS 60 HG2 LYS 60 -1.148 -3.204 12.092
519 HG3 LYS 60 HG3 LYS 60 -2.252 -1.828 12.148
520 HD2 LYS 60 HD2 LYS 60 -2.007 -3.589 9.723
521 HD3 LYS 60 HD3 LYS 60 -3.105 -3.962 11.046
522 HE2 LYS 60 HE2 LYS 60 -3.124 -1.328 9.596
523 HE3 LYS 60 HE3 LYS 60 -4.102 -2.707 9.094
524 HZ1 LYS 60 HZ1 LYS 60 -4.220 -1.438 11.780
525 HZ2 LYS 60 HZ2 LYS 60 -5.214 -2.685 11.207
526 HZ3 LYS 60 HZ3 LYS 60 -5.317 -1.139 10.520
527 H ILE 61 H ILE 61 0.057 -2.969 8.049
528 HA ILE 61 HA ILE 61 -0.790 -5.649 8.648
529 HB ILE 61 HB ILE 61 -1.027 -5.834 6.113
530 HG12 ILE 61 HG12 ILE 61 -0.465 -2.875 6.351
531 HG13 ILE 61 HG13 ILE 61 0.500 -4.054 5.472
532 HG21 ILE 61 HG21 ILE 61 -2.904 -5.450 7.610
533 HG22 ILE 61 HG22 ILE 61 -3.100 -4.538 6.112
534 HG23 ILE 61 HG23 ILE 61 -2.585 -3.714 7.586
535 HD11 ILE 61 HD11 ILE 61 -0.859 -2.729 3.966
536 HD12 ILE 61 HD12 ILE 61 -2.318 -3.243 4.812
537 HD13 ILE 61 HD13 ILE 61 -1.346 -4.422 3.928
538 H GLY 62 H GLY 62 2.187 -4.211 7.722
539 HA2 GLY 62 HA2 GLY 62 4.074 -5.670 8.359
540 HA3 GLY 62 HA3 GLY 62 3.266 -6.949 7.472
541 H PHE 63 H PHE 63 3.429 -3.691 6.193
542 HA PHE 63 HA PHE 63 5.047 -4.659 3.992
543 HB2 PHE 63 HB2 PHE 63 3.083 -3.036 3.756
544 HB3 PHE 63 HB3 PHE 63 4.134 -1.815 4.466
545 HD1 PHE 63 HD2 PHE 63 6.137 -1.044 3.240
546 HD2 PHE 63 HD1 PHE 63 3.329 -3.727 1.507
547 HE1 PHE 63 HE2 PHE 63 7.034 -0.533 1.009
548 HE2 PHE 63 HE1 PHE 63 4.219 -3.221 -0.731
549 HZ PHE 63 HZ PHE 63 6.074 -1.621 -0.982
550 H VAL 64 H VAL 64 7.113 -4.891 4.355
551 HA VAL 64 HA VAL 64 8.512 -3.408 6.343
552 HB VAL 64 HB VAL 64 8.972 -5.774 5.824
553 HG11 VAL 64 HG11 VAL 64 10.354 -6.354 3.880
554 HG12 VAL 64 HG12 VAL 64 10.152 -4.714 3.268
555 HG13 VAL 64 HG13 VAL 64 8.752 -5.773 3.428
556 HG21 VAL 64 HG21 VAL 64 11.331 -3.938 5.463
557 HG22 VAL 64 HG22 VAL 64 11.413 -5.638 5.929
558 HG23 VAL 64 HG23 VAL 64 10.639 -4.467 6.998
559 H TRP 65 H TRP 65 9.931 -1.709 6.107
560 HA TRP 65 HA TRP 65 9.728 -0.357 3.501
561 HB2 TRP 65 HB2 TRP 65 10.360 0.782 6.230
562 HB3 TRP 65 HB3 TRP 65 10.174 1.715 4.748
563 HD1 TRP 65 HD1 TRP 65 8.231 0.327 7.606
564 HE1 TRP 65 HE1 TRP 65 5.721 0.769 7.269
565 HE3 TRP 65 HE3 TRP 65 8.325 1.833 2.720
566 HZ2 TRP 65 HZ2 TRP 65 4.004 1.645 5.201
567 HZ3 TRP 65 HZ3 TRP 65 6.204 2.457 1.638
568 HH2 TRP 65 HH2 TRP 65 4.088 2.363 2.856
569 H SER 66 H SER 66 11.822 -2.333 4.818
570 HA SER 66 HA SER 66 14.284 -1.055 4.970
571 HB2 SER 66 HB2 SER 66 13.710 -3.871 4.030
572 HB3 SER 66 HB3 SER 66 15.262 -3.272 4.612
573 HG SER 66 HG SER 66 14.024 -2.703 6.596
574 H LEU 67 H LEU 67 15.121 0.217 3.478
575 HA LEU 67 HA LEU 67 15.462 -0.859 0.762
576 HB2 LEU 67 HB2 LEU 67 14.566 1.917 1.529
577 HB3 LEU 67 HB3 LEU 67 15.316 1.576 -0.016
578 HG LEU 67 HG LEU 67 12.775 0.275 0.953
579 HD11 LEU 67 HD11 LEU 67 12.442 2.657 0.617
580 HD12 LEU 67 HD12 LEU 67 11.661 1.741 -0.672
581 HD13 LEU 67 HD13 LEU 67 13.195 2.556 -0.974
582 HD21 LEU 67 HD21 LEU 67 14.011 -1.084 -0.633
583 HD22 LEU 67 HD22 LEU 67 14.158 0.291 -1.729
584 HD23 LEU 67 HD23 LEU 67 12.573 -0.410 -1.398
585 H GLU 68 H GLU 68 17.206 0.490 -0.400
586 HA GLU 68 HA GLU 68 19.309 1.338 -0.546
587 HB2 GLU 68 HB2 GLU 68 18.857 2.348 2.265
588 HB3 GLU 68 HB3 GLU 68 20.068 2.923 1.130
589 HG2 GLU 68 HG2 GLU 68 18.337 3.780 -0.330
590 HG3 GLU 68 HG3 GLU 68 17.092 3.141 0.742
591 H HIS 69 H HIS 69 18.721 -1.321 0.677
592 HA HIS 69 HA HIS 69 20.557 -1.947 2.696
593 HB2 HIS 69 HB2 HIS 69 18.684 -3.423 1.864
594 HB3 HIS 69 HB3 HIS 69 19.677 -3.789 0.461
595 HD1 HIS 69 HD1 HIS 69 19.034 -4.830 3.904
596 HD2 HIS 69 HD2 HIS 69 22.126 -5.222 1.142
597 HE1 HIS 69 HE1 HIS 69 20.484 -6.701 4.761
598 HE2 HIS 69 HE2 HIS 69 22.419 -6.826 3.151
599 H HIS 70 H HIS 70 22.651 -1.729 2.666
600 HA HIS 70 HA HIS 70 24.119 -0.819 0.511
601 HB2 HIS 70 HB2 HIS 70 24.784 -0.562 2.866
602 HB3 HIS 70 HB3 HIS 70 25.144 -2.281 2.954
603 HD1 HIS 70 HD1 HIS 70 27.442 -3.003 2.286
604 HD2 HIS 70 HD2 HIS 70 26.591 0.905 1.121
605 HE1 HIS 70 HE1 HIS 70 29.610 -2.060 1.420
606 HE2 HIS 70 HE2 HIS 70 29.100 0.329 0.799
607 H HIS 71 H HIS 71 24.183 -1.920 -1.340
608 HA HIS 71 HA HIS 71 25.308 -4.628 -1.292
609 HB2 HIS 71 HB2 HIS 71 24.028 -3.055 -3.542
610 HB3 HIS 71 HB3 HIS 71 24.780 -4.629 -3.750
611 HD1 HIS 71 HD1 HIS 71 21.593 -3.374 -3.710
612 HD2 HIS 71 HD2 HIS 71 23.416 -6.401 -1.509
613 HE1 HIS 71 HE1 HIS 71 19.723 -4.860 -2.909
614 HE2 HIS 71 HE2 HIS 71 20.869 -6.782 -1.742
615 H HIS 72 H HIS 72 25.607 -2.182 -3.787
616 HA HIS 72 HA HIS 72 28.331 -1.523 -3.070
617 HB2 HIS 72 HB2 HIS 72 27.622 -3.044 -5.574
618 HB3 HIS 72 HB3 HIS 72 29.006 -1.962 -5.542
619 HD1 HIS 72 HD1 HIS 72 30.889 -2.590 -3.717
620 HD2 HIS 72 HD2 HIS 72 28.105 -5.544 -4.609
621 HE1 HIS 72 HE1 HIS 72 31.903 -4.740 -2.910
622 HE2 HIS 72 HE2 HIS 72 30.298 -6.534 -3.654
623 H HIS 73 H HIS 73 29.166 0.084 -4.827
624 HA HIS 73 HA HIS 73 26.906 1.692 -5.826
625 HB2 HIS 73 HB2 HIS 73 29.554 2.746 -4.789
626 HB3 HIS 73 HB3 HIS 73 28.245 3.718 -5.448
627 HD1 HIS 73 HD1 HIS 73 26.110 4.020 -3.939
628 HD2 HIS 73 HD2 HIS 73 29.266 1.993 -2.139
629 HE1 HIS 73 HE1 HIS 73 25.585 3.987 -1.482
630 HE2 HIS 73 HE2 HIS 73 27.614 2.964 -0.399
631 H HIS 74 H HIS 74 27.487 2.993 -7.762
632 HA HIS 74 HA HIS 74 29.606 1.631 -9.275
633 HB2 HIS 74 HB2 HIS 74 28.310 2.202 -11.349
634 HB3 HIS 74 HB3 HIS 74 27.547 1.022 -10.299
635 HD1 HIS 74 HD1 HIS 74 25.332 1.701 -9.157
636 HD2 HIS 74 HD2 HIS 74 26.916 4.604 -11.683
637 HE1 HIS 74 HE1 HIS 74 23.480 3.365 -9.534
638 HE2 HIS 74 HE2 HIS 74 24.398 4.979 -11.241
Start of MODEL 20
1 H1 MET 1 H1 MET 1 -14.495 -4.158 -19.737
2 H2 MET 1 H2 MET 1 -14.136 -4.207 -21.396
3 H3 MET 1 H3 MET 1 -12.981 -3.639 -20.294
4 HA MET 1 HA MET 1 -14.051 -6.391 -20.390
5 HB2 MET 1 HB2 MET 1 -11.814 -7.027 -21.225
6 HB3 MET 1 HB3 MET 1 -12.685 -5.990 -22.338
7 HG2 MET 1 HG2 MET 1 -10.562 -5.126 -22.421
8 HG3 MET 1 HG3 MET 1 -11.335 -4.078 -21.234
9 HE1 MET 1 HE1 MET 1 -9.048 -3.218 -20.258
10 HE2 MET 1 HE2 MET 1 -8.232 -4.148 -21.513
11 HE3 MET 1 HE3 MET 1 -7.707 -4.282 -19.833
12 H ASN 2 H ASN 2 -12.173 -3.972 -18.720
13 HA ASN 2 HA ASN 2 -11.789 -5.900 -16.538
14 HB2 ASN 2 HB2 ASN 2 -9.640 -5.328 -17.497
15 HB3 ASN 2 HB3 ASN 2 -10.024 -3.612 -17.430
16 HD21 ASN 2 HD21 ASN 2 -8.401 -2.992 -16.166
17 HD22 ASN 2 HD22 ASN 2 -8.227 -3.479 -14.524
18 H GLN 3 H GLN 3 -12.965 -5.372 -14.797
19 HA GLN 3 HA GLN 3 -14.420 -2.915 -14.685
20 HB2 GLN 3 HB2 GLN 3 -14.101 -5.143 -12.671
21 HB3 GLN 3 HB3 GLN 3 -15.169 -3.767 -12.447
22 HG2 GLN 3 HG2 GLN 3 -16.438 -4.427 -14.422
23 HG3 GLN 3 HG3 GLN 3 -15.364 -5.807 -14.649
24 HE21 GLN 3 HE21 GLN 3 -18.247 -5.683 -14.157
25 HE22 GLN 3 HE22 GLN 3 -18.530 -6.623 -12.734
26 H ASN 4 H ASN 4 -14.164 -1.182 -13.317
27 HA ASN 4 HA ASN 4 -11.505 -0.845 -12.169
28 HB2 ASN 4 HB2 ASN 4 -13.814 1.116 -12.250
29 HB3 ASN 4 HB3 ASN 4 -12.153 1.483 -11.809
30 HD21 ASN 4 HD21 ASN 4 -14.370 0.902 -14.377
31 HD22 ASN 4 HD22 ASN 4 -13.317 1.348 -15.674
32 H LEU 5 H LEU 5 -14.799 -1.352 -11.273
33 HA LEU 5 HA LEU 5 -15.865 -1.828 -9.344
34 HB2 LEU 5 HB2 LEU 5 -13.059 -2.053 -8.282
35 HB3 LEU 5 HB3 LEU 5 -14.454 -2.215 -7.237
36 HG LEU 5 HG LEU 5 -13.793 -4.408 -7.759
37 HD11 LEU 5 HD11 LEU 5 -16.063 -3.685 -9.595
38 HD12 LEU 5 HD12 LEU 5 -16.180 -4.097 -7.885
39 HD13 LEU 5 HD13 LEU 5 -15.660 -5.312 -9.052
40 HD21 LEU 5 HD21 LEU 5 -13.463 -5.224 -10.054
41 HD22 LEU 5 HD22 LEU 5 -12.306 -3.972 -9.603
42 HD23 LEU 5 HD23 LEU 5 -13.669 -3.575 -10.650
43 H GLN 6 H GLN 6 -16.710 -0.762 -7.513
44 HA GLN 6 HA GLN 6 -16.067 2.078 -7.503
45 HB2 GLN 6 HB2 GLN 6 -18.267 0.568 -6.079
46 HB3 GLN 6 HB3 GLN 6 -18.098 2.317 -6.142
47 HG2 GLN 6 HG2 GLN 6 -18.361 2.220 -8.594
48 HG3 GLN 6 HG3 GLN 6 -18.629 0.481 -8.466
49 HE21 GLN 6 HE21 GLN 6 -20.698 0.588 -9.296
50 HE22 GLN 6 HE22 GLN 6 -22.020 1.258 -8.406
51 H GLY 7 H GLY 7 -14.279 2.447 -6.345
52 HA2 GLY 7 HA2 GLY 7 -13.566 2.985 -4.063
53 HA3 GLY 7 HA3 GLY 7 -14.228 1.429 -3.574
54 H GLU 8 H GLU 8 -11.656 3.036 -5.318
55 HA GLU 8 HA GLU 8 -10.271 0.761 -6.209
56 HB2 GLU 8 HB2 GLU 8 -9.855 3.092 -6.991
57 HB3 GLU 8 HB3 GLU 8 -9.087 3.438 -5.448
58 HG2 GLU 8 HG2 GLU 8 -7.421 1.678 -5.922
59 HG3 GLU 8 HG3 GLU 8 -8.161 1.445 -7.505
60 H TRP 9 H TRP 9 -9.952 2.655 -3.218
61 HA TRP 9 HA TRP 9 -7.768 1.039 -2.294
62 HB2 TRP 9 HB2 TRP 9 -8.808 3.550 -1.604
63 HB3 TRP 9 HB3 TRP 9 -9.033 2.539 -0.178
64 HD1 TRP 9 HD1 TRP 9 -6.425 4.471 -2.005
65 HE1 TRP 9 HE1 TRP 9 -4.110 4.077 -0.953
66 HE3 TRP 9 HE3 TRP 9 -7.594 0.531 1.033
67 HZ2 TRP 9 HZ2 TRP 9 -2.943 2.322 0.932
68 HZ3 TRP 9 HZ3 TRP 9 -5.820 -0.448 2.431
69 HH2 TRP 9 HH2 TRP 9 -3.544 0.431 2.377
70 H MET 10 H MET 10 -11.243 1.100 -1.846
71 HA MET 10 HA MET 10 -11.395 -0.670 0.336
72 HB2 MET 10 HB2 MET 10 -13.250 0.120 -1.862
73 HB3 MET 10 HB3 MET 10 -13.639 -1.323 -0.940
74 HG2 MET 10 HG2 MET 10 -14.783 0.651 -0.086
75 HG3 MET 10 HG3 MET 10 -13.699 -0.050 1.107
76 HE1 MET 10 HE1 MET 10 -11.092 2.604 1.792
77 HE2 MET 10 HE2 MET 10 -10.971 0.983 1.102
78 HE3 MET 10 HE3 MET 10 -12.065 1.289 2.452
79 H LYS 11 H LYS 11 -11.125 -1.194 -3.127
80 HA LYS 11 HA LYS 11 -11.167 -4.036 -3.054
81 HB2 LYS 11 HB2 LYS 11 -11.539 -2.658 -5.091
82 HB3 LYS 11 HB3 LYS 11 -9.846 -2.189 -5.051
83 HG2 LYS 11 HG2 LYS 11 -9.403 -4.744 -5.129
84 HG3 LYS 11 HG3 LYS 11 -11.061 -4.829 -5.728
85 HD2 LYS 11 HD2 LYS 11 -8.697 -3.432 -6.946
86 HD3 LYS 11 HD3 LYS 11 -9.712 -4.690 -7.652
87 HE2 LYS 11 HE2 LYS 11 -11.603 -3.107 -7.660
88 HE3 LYS 11 HE3 LYS 11 -10.528 -1.856 -7.045
89 HZ1 LYS 11 HZ1 LYS 11 -10.211 -3.272 -9.643
90 HZ2 LYS 11 HZ2 LYS 11 -9.189 -2.057 -9.044
91 HZ3 LYS 11 HZ3 LYS 11 -10.799 -1.693 -9.436
92 H ASN 12 H ASN 12 -8.580 -1.632 -3.203
93 HA ASN 12 HA ASN 12 -6.373 -3.302 -3.296
94 HB2 ASN 12 HB2 ASN 12 -6.788 -0.540 -2.189
95 HB3 ASN 12 HB3 ASN 12 -5.225 -1.333 -2.045
96 HD21 ASN 12 HD21 ASN 12 -6.103 1.052 -3.540
97 HD22 ASN 12 HD22 ASN 12 -5.613 0.770 -5.169
98 H TYR 13 H TYR 13 -8.091 -2.054 -0.480
99 HA TYR 13 HA TYR 13 -6.278 -2.781 1.484
100 HB2 TYR 13 HB2 TYR 13 -8.269 -1.299 1.753
101 HB3 TYR 13 HB3 TYR 13 -9.281 -2.739 1.759
102 HD1 TYR 13 HD2 TYR 13 -6.136 -1.653 3.476
103 HD2 TYR 13 HD1 TYR 13 -10.019 -3.349 3.863
104 HE1 TYR 13 HE2 TYR 13 -5.792 -1.872 5.902
105 HE2 TYR 13 HE1 TYR 13 -9.689 -3.562 6.290
106 HH TYR 13 HH TYR 13 -7.282 -1.983 7.961
107 H GLU 14 H GLU 14 -9.012 -4.689 0.205
108 HA GLU 14 HA GLU 14 -8.650 -6.783 2.088
109 HB2 GLU 14 HB2 GLU 14 -10.265 -8.038 0.778
110 HB3 GLU 14 HB3 GLU 14 -10.809 -6.384 1.002
111 HG2 GLU 14 HG2 GLU 14 -10.055 -5.844 -1.270
112 HG3 GLU 14 HG3 GLU 14 -9.557 -7.522 -1.485
113 H GLU 15 H GLU 15 -7.436 -6.231 -1.174
114 HA GLU 15 HA GLU 15 -6.261 -8.841 -1.401
115 HB2 GLU 15 HB2 GLU 15 -5.658 -6.310 -2.945
116 HB3 GLU 15 HB3 GLU 15 -5.116 -7.925 -3.377
117 HG2 GLU 15 HG2 GLU 15 -7.586 -8.542 -3.487
118 HG3 GLU 15 HG3 GLU 15 -7.895 -6.806 -3.445
119 H LEU 16 H LEU 16 -5.187 -5.636 -0.489
120 HA LEU 16 HA LEU 16 -2.440 -6.019 -0.347
121 HB2 LEU 16 HB2 LEU 16 -3.465 -3.839 -0.217
122 HB3 LEU 16 HB3 LEU 16 -4.268 -4.264 1.283
123 HG LEU 16 HG LEU 16 -1.974 -4.492 2.315
124 HD11 LEU 16 HD11 LEU 16 -0.711 -4.707 0.227
125 HD12 LEU 16 HD12 LEU 16 -0.137 -3.357 1.209
126 HD13 LEU 16 HD13 LEU 16 -1.153 -3.053 -0.202
127 HD21 LEU 16 HD21 LEU 16 -3.432 -2.581 2.691
128 HD22 LEU 16 HD22 LEU 16 -2.789 -1.801 1.245
129 HD23 LEU 16 HD23 LEU 16 -1.738 -2.100 2.631
130 H LYS 17 H LYS 17 -4.815 -6.253 2.308
131 HA LYS 17 HA LYS 17 -3.124 -7.002 4.366
132 HB2 LYS 17 HB2 LYS 17 -5.919 -8.027 3.842
133 HB3 LYS 17 HB3 LYS 17 -5.075 -8.112 5.378
134 HG2 LYS 17 HG2 LYS 17 -5.122 -5.748 5.616
135 HG3 LYS 17 HG3 LYS 17 -5.726 -5.544 3.972
136 HD2 LYS 17 HD2 LYS 17 -7.609 -5.292 5.345
137 HD3 LYS 17 HD3 LYS 17 -7.733 -6.926 4.704
138 HE2 LYS 17 HE2 LYS 17 -6.462 -6.364 7.365
139 HE3 LYS 17 HE3 LYS 17 -8.204 -6.569 7.199
140 HZ1 LYS 17 HZ1 LYS 17 -7.026 -8.616 7.832
141 HZ2 LYS 17 HZ2 LYS 17 -6.189 -8.588 6.360
142 HZ3 LYS 17 HZ3 LYS 17 -7.873 -8.779 6.373
143 H SER 18 H SER 18 -4.918 -9.083 2.190
144 HA SER 18 HA SER 18 -3.977 -11.547 3.073
145 HB2 SER 18 HB2 SER 18 -4.740 -10.881 0.227
146 HB3 SER 18 HB3 SER 18 -4.891 -12.436 1.047
147 HG SER 18 HG SER 18 -6.614 -10.355 0.995
148 H PHE 19 H PHE 19 -2.704 -9.408 0.551
149 HA PHE 19 HA PHE 19 -0.734 -11.217 -0.386
150 HB2 PHE 19 HB2 PHE 19 -1.737 -9.042 -1.471
151 HB3 PHE 19 HB3 PHE 19 -0.418 -8.241 -0.625
152 HD1 PHE 19 HD1 PHE 19 1.913 -8.710 -1.237
153 HD2 PHE 19 HD2 PHE 19 -1.344 -10.425 -3.368
154 HE1 PHE 19 HE1 PHE 19 3.430 -9.286 -3.087
155 HE2 PHE 19 HE2 PHE 19 0.168 -11.007 -5.218
156 HZ PHE 19 HZ PHE 19 2.560 -10.438 -5.081
157 H VAL 20 H VAL 20 -0.483 -8.333 1.695
158 HA VAL 20 HA VAL 20 2.221 -8.585 2.341
159 HB VAL 20 HB VAL 20 -0.043 -7.355 3.921
160 HG11 VAL 20 HG11 VAL 20 2.935 -7.086 4.310
161 HG12 VAL 20 HG12 VAL 20 1.795 -7.840 5.426
162 HG13 VAL 20 HG13 VAL 20 1.711 -6.106 5.116
163 HG21 VAL 20 HG21 VAL 20 0.784 -5.253 3.013
164 HG22 VAL 20 HG22 VAL 20 0.355 -6.363 1.713
165 HG23 VAL 20 HG23 VAL 20 2.048 -6.114 2.138
166 H ARG 21 H ARG 21 -0.605 -10.119 3.731
167 HA ARG 21 HA ARG 21 0.550 -11.074 6.099
168 HB2 ARG 21 HB2 ARG 21 -1.883 -11.030 5.596
169 HB3 ARG 21 HB3 ARG 21 -1.652 -12.347 4.459
170 HG2 ARG 21 HG2 ARG 21 -0.718 -12.772 7.237
171 HG3 ARG 21 HG3 ARG 21 -2.458 -12.728 6.954
172 HD2 ARG 21 HD2 ARG 21 -2.261 -14.496 5.308
173 HD3 ARG 21 HD3 ARG 21 -0.506 -14.502 5.487
174 HE ARG 21 HE ARG 21 -0.927 -15.196 7.845
175 HH11 ARG 21 HH11 ARG 21 -3.305 -15.835 5.354
176 HH12 ARG 21 HH12 ARG 21 -3.989 -17.205 6.182
177 HH21 ARG 21 HH21 ARG 21 -1.830 -16.954 8.944
178 HH22 ARG 21 HH22 ARG 21 -3.169 -17.822 8.247
179 H LYS 22 H LYS 22 0.850 -12.159 2.818
180 HA LYS 22 HA LYS 22 2.206 -14.612 3.720
181 HB2 LYS 22 HB2 LYS 22 0.251 -14.896 2.207
182 HB3 LYS 22 HB3 LYS 22 1.099 -13.970 0.979
183 HG2 LYS 22 HG2 LYS 22 2.859 -15.673 0.920
184 HG3 LYS 22 HG3 LYS 22 1.981 -16.606 2.133
185 HD2 LYS 22 HD2 LYS 22 0.067 -16.772 0.591
186 HD3 LYS 22 HD3 LYS 22 0.987 -15.885 -0.626
187 HE2 LYS 22 HE2 LYS 22 1.101 -18.256 -1.082
188 HE3 LYS 22 HE3 LYS 22 2.690 -17.668 -0.599
189 HZ1 LYS 22 HZ1 LYS 22 2.299 -18.532 1.625
190 HZ2 LYS 22 HZ2 LYS 22 2.156 -19.770 0.475
191 HZ3 LYS 22 HZ3 LYS 22 0.765 -19.091 1.165
192 H TYR 23 H TYR 23 2.467 -12.024 1.271
193 HA TYR 23 HA TYR 23 5.213 -12.813 0.689
194 HB2 TYR 23 HB2 TYR 23 3.457 -10.682 -0.539
195 HB3 TYR 23 HB3 TYR 23 5.068 -11.108 -1.099
196 HD1 TYR 23 HD2 TYR 23 1.575 -12.269 -0.832
197 HD2 TYR 23 HD1 TYR 23 5.434 -13.024 -2.460
198 HE1 TYR 23 HE2 TYR 23 0.603 -13.942 -2.350
199 HE2 TYR 23 HE1 TYR 23 4.473 -14.698 -3.980
200 HH TYR 23 HH TYR 23 1.131 -15.002 -4.506
201 H ARG 24 H ARG 24 3.579 -10.598 2.650
202 HA ARG 24 HA ARG 24 4.262 -9.017 4.107
203 HB2 ARG 24 HB2 ARG 24 6.982 -9.849 3.159
204 HB3 ARG 24 HB3 ARG 24 6.776 -8.485 4.250
205 HG2 ARG 24 HG2 ARG 24 6.013 -11.348 4.732
206 HG3 ARG 24 HG3 ARG 24 7.228 -10.391 5.585
207 HD2 ARG 24 HD2 ARG 24 5.393 -8.869 6.324
208 HD3 ARG 24 HD3 ARG 24 4.241 -9.992 5.611
209 HE ARG 24 HE ARG 24 6.021 -11.249 7.479
210 HH11 ARG 24 HH11 ARG 24 3.051 -9.424 7.132
211 HH12 ARG 24 HH12 ARG 24 2.384 -9.962 8.637
212 HH21 ARG 24 HH21 ARG 24 5.147 -11.979 9.463
213 HH22 ARG 24 HH22 ARG 24 3.579 -11.437 9.965
214 H ARG 25 H ARG 25 4.918 -8.772 0.788
215 HA ARG 25 HA ARG 25 4.054 -6.154 0.533
216 HB2 ARG 25 HB2 ARG 25 6.097 -4.922 0.025
217 HB3 ARG 25 HB3 ARG 25 6.126 -5.504 1.682
218 HG2 ARG 25 HG2 ARG 25 7.637 -7.293 1.055
219 HG3 ARG 25 HG3 ARG 25 7.560 -6.785 -0.635
220 HD2 ARG 25 HD2 ARG 25 8.479 -4.598 0.014
221 HD3 ARG 25 HD3 ARG 25 8.618 -5.162 1.676
222 HE ARG 25 HE ARG 25 10.054 -7.005 0.420
223 HH11 ARG 25 HH11 ARG 25 10.033 -3.514 0.065
224 HH12 ARG 25 HH12 ARG 25 11.705 -3.424 -0.421
225 HH21 ARG 25 HH21 ARG 25 12.250 -6.894 -0.206
226 HH22 ARG 25 HH22 ARG 25 12.958 -5.354 -0.596
227 H PHE 26 H PHE 26 4.739 -5.239 -1.708
228 HA PHE 26 HA PHE 26 5.458 -7.379 -3.549
229 HB2 PHE 26 HB2 PHE 26 3.621 -6.519 -5.120
230 HB3 PHE 26 HB3 PHE 26 3.138 -7.540 -3.775
231 HD1 PHE 26 HD2 PHE 26 2.099 -6.488 -1.759
232 HD2 PHE 26 HD1 PHE 26 2.769 -4.330 -5.366
233 HE1 PHE 26 HE2 PHE 26 0.464 -4.796 -1.049
234 HE2 PHE 26 HE1 PHE 26 1.132 -2.636 -4.660
235 HZ PHE 26 HZ PHE 26 -0.022 -2.868 -2.501
236 HA PRO 27 HA PRO 27 7.728 -3.629 -4.844
237 HB2 PRO 27 HB2 PRO 27 10.084 -4.889 -5.241
238 HB3 PRO 27 HB3 PRO 27 9.594 -4.300 -3.650
239 HG2 PRO 27 HG2 PRO 27 9.486 -7.070 -4.760
240 HG3 PRO 27 HG3 PRO 27 9.955 -6.535 -3.138
241 HD2 PRO 27 HD2 PRO 27 7.500 -7.570 -3.748
242 HD3 PRO 27 HD3 PRO 27 7.786 -6.433 -2.416
243 H LYS 28 H LYS 28 7.003 -6.736 -6.009
244 HA LYS 28 HA LYS 28 7.055 -5.806 -8.764
245 HB2 LYS 28 HB2 LYS 28 9.234 -6.979 -8.305
246 HB3 LYS 28 HB3 LYS 28 8.320 -8.428 -7.923
247 HG2 LYS 28 HG2 LYS 28 7.474 -8.508 -10.207
248 HG3 LYS 28 HG3 LYS 28 8.358 -7.029 -10.590
249 HD2 LYS 28 HD2 LYS 28 9.603 -9.624 -9.684
250 HD3 LYS 28 HD3 LYS 28 9.557 -9.037 -11.346
251 HE2 LYS 28 HE2 LYS 28 10.930 -7.159 -10.796
252 HE3 LYS 28 HE3 LYS 28 10.824 -7.517 -9.074
253 HZ1 LYS 28 HZ1 LYS 28 12.060 -9.550 -9.443
254 HZ2 LYS 28 HZ2 LYS 28 12.940 -8.218 -10.019
255 HZ3 LYS 28 HZ3 LYS 28 12.140 -9.239 -11.110
256 H SER 29 H SER 29 4.776 -5.776 -8.420
257 HA SER 29 HA SER 29 3.496 -8.307 -7.699
258 HB2 SER 29 HB2 SER 29 2.820 -6.238 -6.512
259 HB3 SER 29 HB3 SER 29 2.291 -5.551 -8.046
260 HG SER 29 HG SER 29 1.270 -7.967 -6.972
261 H THR 30 H THR 30 3.339 -5.809 -10.205
262 HA THR 30 HA THR 30 2.749 -5.774 -12.353
263 HB THR 30 HB THR 30 2.714 -8.735 -12.613
264 HG1 THR 30 HG1 THR 30 4.740 -8.944 -11.972
265 HG21 THR 30 HG21 THR 30 3.918 -6.445 -14.145
266 HG22 THR 30 HG22 THR 30 2.425 -7.291 -14.545
267 HG23 THR 30 HG23 THR 30 3.972 -8.134 -14.647
268 H GLU 31 H GLU 31 0.984 -8.293 -10.578
269 HA GLU 31 HA GLU 31 -1.236 -8.049 -12.472
270 HB2 GLU 31 HB2 GLU 31 -0.564 -10.064 -10.360
271 HB3 GLU 31 HB3 GLU 31 -2.102 -10.054 -11.208
272 HG2 GLU 31 HG2 GLU 31 -0.900 -10.300 -13.343
273 HG3 GLU 31 HG3 GLU 31 0.618 -10.393 -12.452
274 H GLY 32 H GLY 32 -3.421 -8.062 -11.708
275 HA2 GLY 32 HA2 GLY 32 -5.174 -7.483 -10.355
276 HA3 GLY 32 HA3 GLY 32 -4.082 -7.607 -8.985
277 H ASN 33 H ASN 33 -5.709 -5.747 -8.537
278 HA ASN 33 HA ASN 33 -5.104 -3.210 -9.678
279 HB2 ASN 33 HB2 ASN 33 -7.167 -4.003 -8.234
280 HB3 ASN 33 HB3 ASN 33 -6.166 -3.472 -6.887
281 HD21 ASN 33 HD21 ASN 33 -5.746 -1.286 -6.618
282 HD22 ASN 33 HD22 ASN 33 -6.597 -0.065 -7.507
283 H LEU 34 H LEU 34 -3.756 -5.166 -7.167
284 HA LEU 34 HA LEU 34 -2.223 -3.245 -5.806
285 HB2 LEU 34 HB2 LEU 34 -1.699 -6.185 -6.236
286 HB3 LEU 34 HB3 LEU 34 -0.822 -5.172 -5.107
287 HG LEU 34 HG LEU 34 -3.758 -5.859 -4.969
288 HD11 LEU 34 HD11 LEU 34 -2.295 -7.710 -4.372
289 HD12 LEU 34 HD12 LEU 34 -3.119 -7.072 -2.949
290 HD13 LEU 34 HD13 LEU 34 -1.426 -6.671 -3.240
291 HD21 LEU 34 HD21 LEU 34 -3.725 -4.686 -2.817
292 HD22 LEU 34 HD22 LEU 34 -3.345 -3.599 -4.153
293 HD23 LEU 34 HD23 LEU 34 -2.055 -4.199 -3.112
294 H GLY 35 H GLY 35 -1.424 -5.351 -8.595
295 HA2 GLY 35 HA2 GLY 35 1.197 -4.621 -9.006
296 HA3 GLY 35 HA3 GLY 35 0.072 -4.996 -10.303
297 H GLY 36 H GLY 36 -1.688 -2.829 -10.040
298 HA2 GLY 36 HA2 GLY 36 -0.079 -0.780 -11.289
299 HA3 GLY 36 HA3 GLY 36 -1.821 -0.759 -11.106
300 H TRP 37 H TRP 37 -1.812 -1.189 -8.254
301 HA TRP 37 HA TRP 37 -1.676 1.423 -7.270
302 HB2 TRP 37 HB2 TRP 37 -2.862 -0.576 -6.230
303 HB3 TRP 37 HB3 TRP 37 -1.295 -1.042 -5.571
304 HD1 TRP 37 HD1 TRP 37 -3.683 1.990 -5.499
305 HE1 TRP 37 HE1 TRP 37 -3.446 3.155 -3.230
306 HE3 TRP 37 HE3 TRP 37 0.053 -0.868 -3.499
307 HZ2 TRP 37 HZ2 TRP 37 -1.891 2.898 -0.892
308 HZ3 TRP 37 HZ3 TRP 37 0.859 -0.343 -1.242
309 HH2 TRP 37 HH2 TRP 37 -0.096 1.507 0.038
310 H CYS 38 H CYS 38 0.634 -1.257 -6.931
311 HA CYS 38 HA CYS 38 2.579 0.086 -5.448
312 HB2 CYS 38 HB2 CYS 38 2.541 -2.357 -5.837
313 HB3 CYS 38 HB3 CYS 38 2.986 -2.085 -7.518
314 HG CYS 38 HG CYS 38 4.998 -2.870 -5.300
315 H HIS 39 H HIS 39 2.291 -0.316 -8.958
316 HA HIS 39 HA HIS 39 4.659 1.009 -9.642
317 HB2 HIS 39 HB2 HIS 39 2.169 0.256 -11.099
318 HB3 HIS 39 HB3 HIS 39 3.304 1.337 -11.888
319 HD1 HIS 39 HD1 HIS 39 2.604 -2.159 -11.367
320 HD2 HIS 39 HD2 HIS 39 6.010 0.124 -12.055
321 HE1 HIS 39 HE1 HIS 39 4.361 -3.780 -12.150
322 HE2 HIS 39 HE2 HIS 39 6.450 -2.401 -12.428
323 H THR 40 H THR 40 1.403 2.246 -9.139
324 HA THR 40 HA THR 40 2.071 4.872 -10.157
325 HB THR 40 HB THR 40 -0.412 4.076 -8.620
326 HG1 THR 40 HG1 THR 40 -0.343 2.664 -10.326
327 HG21 THR 40 HG21 THR 40 -1.443 5.867 -9.979
328 HG22 THR 40 HG22 THR 40 0.137 6.227 -10.672
329 HG23 THR 40 HG23 THR 40 -0.150 6.473 -8.949
330 H GLN 41 H GLN 41 1.710 3.325 -7.014
331 HA GLN 41 HA GLN 41 1.685 5.762 -5.535
332 HB2 GLN 41 HB2 GLN 41 1.437 2.950 -4.970
333 HB3 GLN 41 HB3 GLN 41 2.528 3.713 -3.819
334 HG2 GLN 41 HG2 GLN 41 0.236 3.714 -3.021
335 HG3 GLN 41 HG3 GLN 41 0.844 5.349 -3.254
336 HE21 GLN 41 HE21 GLN 41 -0.247 3.222 -5.831
337 HE22 GLN 41 HE22 GLN 41 -1.649 4.150 -6.255
338 H ARG 42 H ARG 42 4.176 3.838 -6.889
339 HA ARG 42 HA ARG 42 6.400 4.478 -5.369
340 HB2 ARG 42 HB2 ARG 42 6.166 4.410 -8.385
341 HB3 ARG 42 HB3 ARG 42 7.685 4.431 -7.502
342 HG2 ARG 42 HG2 ARG 42 5.601 2.266 -7.377
343 HG3 ARG 42 HG3 ARG 42 7.128 2.199 -8.261
344 HD2 ARG 42 HD2 ARG 42 8.345 2.460 -6.154
345 HD3 ARG 42 HD3 ARG 42 6.815 2.493 -5.279
346 HE ARG 42 HE ARG 42 6.531 0.177 -6.410
347 HH11 ARG 42 HH11 ARG 42 9.550 1.518 -5.225
348 HH12 ARG 42 HH12 ARG 42 10.206 -0.036 -4.803
349 HH21 ARG 42 HH21 ARG 42 7.412 -1.846 -5.861
350 HH22 ARG 42 HH22 ARG 42 9.000 -1.935 -5.160
351 H LYS 43 H LYS 43 4.819 6.349 -7.905
352 HA LYS 43 HA LYS 43 6.634 8.519 -7.778
353 HB2 LYS 43 HB2 LYS 43 5.356 7.995 -9.800
354 HB3 LYS 43 HB3 LYS 43 3.854 8.358 -8.962
355 HG2 LYS 43 HG2 LYS 43 5.910 10.488 -9.028
356 HG3 LYS 43 HG3 LYS 43 5.089 10.102 -10.543
357 HD2 LYS 43 HD2 LYS 43 3.325 10.358 -8.213
358 HD3 LYS 43 HD3 LYS 43 4.158 11.841 -8.675
359 HE2 LYS 43 HE2 LYS 43 2.525 10.106 -10.522
360 HE3 LYS 43 HE3 LYS 43 1.963 11.601 -9.776
361 HZ1 LYS 43 HZ1 LYS 43 4.173 11.313 -11.733
362 HZ2 LYS 43 HZ2 LYS 43 3.810 12.755 -10.918
363 HZ3 LYS 43 HZ3 LYS 43 2.680 12.074 -11.985
364 H MET 44 H MET 44 3.438 7.912 -6.349
365 HA MET 44 HA MET 44 3.038 10.514 -5.331
366 HB2 MET 44 HB2 MET 44 1.975 7.989 -4.068
367 HB3 MET 44 HB3 MET 44 1.259 9.595 -4.041
368 HG2 MET 44 HG2 MET 44 1.481 7.734 -6.387
369 HG3 MET 44 HG3 MET 44 0.015 8.230 -5.542
370 HE1 MET 44 HE1 MET 44 -0.699 8.604 -8.238
371 HE2 MET 44 HE2 MET 44 0.976 8.320 -8.716
372 HE3 MET 44 HE3 MET 44 0.136 9.776 -9.257
373 H ARG 45 H ARG 45 4.653 7.689 -4.087
374 HA ARG 45 HA ARG 45 5.013 8.627 -1.429
375 HB2 ARG 45 HB2 ARG 45 5.136 6.231 -2.299
376 HB3 ARG 45 HB3 ARG 45 6.740 6.617 -2.871
377 HG2 ARG 45 HG2 ARG 45 5.883 6.828 0.005
378 HG3 ARG 45 HG3 ARG 45 6.654 5.408 -0.693
379 HD2 ARG 45 HD2 ARG 45 7.865 8.168 -0.614
380 HD3 ARG 45 HD3 ARG 45 8.214 6.883 0.539
381 HE ARG 45 HE ARG 45 8.700 6.292 -2.277
382 HH11 ARG 45 HH11 ARG 45 9.986 7.180 0.856
383 HH12 ARG 45 HH12 ARG 45 11.629 6.774 0.444
384 HH21 ARG 45 HH21 ARG 45 10.848 5.774 -2.843
385 HH22 ARG 45 HH22 ARG 45 12.128 5.985 -1.677
386 H LYS 46 H LYS 46 7.139 8.541 -4.276
387 HA LYS 46 HA LYS 46 9.305 9.806 -2.932
388 HB2 LYS 46 HB2 LYS 46 9.443 8.293 -4.960
389 HB3 LYS 46 HB3 LYS 46 8.864 9.650 -5.915
390 HG2 LYS 46 HG2 LYS 46 11.217 10.122 -4.188
391 HG3 LYS 46 HG3 LYS 46 11.442 9.094 -5.598
392 HD2 LYS 46 HD2 LYS 46 10.237 11.856 -5.693
393 HD3 LYS 46 HD3 LYS 46 11.938 11.504 -5.998
394 HE2 LYS 46 HE2 LYS 46 11.098 9.860 -7.763
395 HE3 LYS 46 HE3 LYS 46 9.538 10.659 -7.590
396 HZ1 LYS 46 HZ1 LYS 46 12.081 11.990 -8.351
397 HZ2 LYS 46 HZ2 LYS 46 10.575 12.753 -8.203
398 HZ3 LYS 46 HZ3 LYS 46 10.819 11.588 -9.409
399 H GLN 47 H GLN 47 6.583 10.937 -4.808
400 HA GLN 47 HA GLN 47 7.511 13.601 -5.188
401 HB2 GLN 47 HB2 GLN 47 5.563 12.187 -6.319
402 HB3 GLN 47 HB3 GLN 47 4.601 12.967 -5.071
403 HG2 GLN 47 HG2 GLN 47 4.426 14.311 -6.986
404 HG3 GLN 47 HG3 GLN 47 5.516 15.152 -5.885
405 HE21 GLN 47 HE21 GLN 47 6.448 12.351 -7.734
406 HE22 GLN 47 HE22 GLN 47 7.537 13.167 -8.807
407 H GLY 48 H GLY 48 6.080 11.890 -2.571
408 HA2 GLY 48 HA2 GLY 48 5.734 12.588 -0.387
409 HA3 GLY 48 HA3 GLY 48 6.233 14.204 -0.864
410 H LYS 49 H LYS 49 3.662 12.312 -2.358
411 HA LYS 49 HA LYS 49 1.724 14.222 -1.223
412 HB2 LYS 49 HB2 LYS 49 0.383 13.889 -3.302
413 HB3 LYS 49 HB3 LYS 49 1.904 14.730 -3.541
414 HG2 LYS 49 HG2 LYS 49 2.912 12.777 -4.479
415 HG3 LYS 49 HG3 LYS 49 1.498 11.800 -4.079
416 HD2 LYS 49 HD2 LYS 49 1.446 14.173 -5.943
417 HD3 LYS 49 HD3 LYS 49 1.605 12.496 -6.473
418 HE2 LYS 49 HE2 LYS 49 -0.536 11.946 -5.499
419 HE3 LYS 49 HE3 LYS 49 -0.689 13.573 -4.836
420 HZ1 LYS 49 HZ1 LYS 49 -1.964 13.181 -6.915
421 HZ2 LYS 49 HZ2 LYS 49 -0.497 12.976 -7.744
422 HZ3 LYS 49 HZ3 LYS 49 -0.865 14.466 -7.024
423 H LEU 50 H LEU 50 2.714 11.104 -1.219
424 HA LEU 50 HA LEU 50 0.253 9.708 -0.997
425 HB2 LEU 50 HB2 LEU 50 3.092 9.189 -0.402
426 HB3 LEU 50 HB3 LEU 50 1.965 8.317 0.613
427 HG LEU 50 HG LEU 50 2.154 8.182 -2.396
428 HD11 LEU 50 HD11 LEU 50 2.786 5.866 -2.003
429 HD12 LEU 50 HD12 LEU 50 2.685 6.123 -0.262
430 HD13 LEU 50 HD13 LEU 50 3.911 6.967 -1.205
431 HD21 LEU 50 HD21 LEU 50 0.455 6.441 -2.235
432 HD22 LEU 50 HD22 LEU 50 -0.161 8.006 -1.697
433 HD23 LEU 50 HD23 LEU 50 0.283 6.775 -0.512
434 HA PRO 51 HA PRO 51 -0.931 11.049 3.104
435 HB2 PRO 51 HB2 PRO 51 -2.574 8.641 3.269
436 HB3 PRO 51 HB3 PRO 51 -3.077 10.330 3.192
437 HG2 PRO 51 HG2 PRO 51 -3.465 8.606 1.152
438 HG3 PRO 51 HG3 PRO 51 -3.177 10.338 0.899
439 HD2 PRO 51 HD2 PRO 51 -1.263 8.044 0.649
440 HD3 PRO 51 HD3 PRO 51 -1.460 9.468 -0.385
441 H ASN 52 H ASN 52 -0.243 10.650 5.076
442 HA ASN 52 HA ASN 52 1.743 8.645 5.448
443 HB2 ASN 52 HB2 ASN 52 0.611 10.757 7.260
444 HB3 ASN 52 HB3 ASN 52 1.796 9.583 7.828
445 HD21 ASN 52 HD21 ASN 52 3.391 11.084 8.191
446 HD22 ASN 52 HD22 ASN 52 4.215 11.909 6.904
447 H ASP 53 H ASP 53 -1.601 8.983 6.505
448 HA ASP 53 HA ASP 53 -1.622 7.148 8.608
449 HB2 ASP 53 HB2 ASP 53 -3.798 7.691 6.582
450 HB3 ASP 53 HB3 ASP 53 -4.031 6.772 8.063
451 H ARG 54 H ARG 54 -2.342 6.556 5.189
452 HA ARG 54 HA ARG 54 -2.645 3.806 5.248
453 HB2 ARG 54 HB2 ARG 54 -3.210 4.915 3.260
454 HB3 ARG 54 HB3 ARG 54 -1.638 5.696 3.148
455 HG2 ARG 54 HG2 ARG 54 -0.905 3.102 3.022
456 HG3 ARG 54 HG3 ARG 54 -2.495 3.035 2.254
457 HD2 ARG 54 HD2 ARG 54 -0.509 3.479 0.738
458 HD3 ARG 54 HD3 ARG 54 -1.876 4.591 0.609
459 HE ARG 54 HE ARG 54 -0.629 6.227 1.784
460 HH11 ARG 54 HH11 ARG 54 1.231 3.403 0.910
461 HH12 ARG 54 HH12 ARG 54 2.757 4.146 1.249
462 HH21 ARG 54 HH21 ARG 54 1.352 7.205 2.273
463 HH22 ARG 54 HH22 ARG 54 2.839 6.335 2.019
464 H ARG 55 H ARG 55 0.318 5.715 5.083
465 HA ARG 55 HA ARG 55 2.114 3.647 4.471
466 HB2 ARG 55 HB2 ARG 55 2.708 6.044 4.401
467 HB3 ARG 55 HB3 ARG 55 2.608 6.111 6.156
468 HG2 ARG 55 HG2 ARG 55 4.367 4.139 5.957
469 HG3 ARG 55 HG3 ARG 55 4.696 4.934 4.416
470 HD2 ARG 55 HD2 ARG 55 4.910 7.075 5.696
471 HD3 ARG 55 HD3 ARG 55 4.823 6.131 7.167
472 HE ARG 55 HE ARG 55 6.862 5.220 5.360
473 HH11 ARG 55 HH11 ARG 55 6.144 7.466 7.949
474 HH12 ARG 55 HH12 ARG 55 7.806 7.688 8.385
475 HH21 ARG 55 HH21 ARG 55 9.053 5.507 5.938
476 HH22 ARG 55 HH22 ARG 55 9.459 6.576 7.256
477 H LEU 56 H LEU 56 0.900 4.866 7.564
478 HA LEU 56 HA LEU 56 2.602 3.170 9.100
479 HB2 LEU 56 HB2 LEU 56 0.347 5.027 9.718
480 HB3 LEU 56 HB3 LEU 56 0.846 3.873 10.934
481 HG LEU 56 HG LEU 56 1.922 5.978 11.364
482 HD11 LEU 56 HD11 LEU 56 4.263 5.304 11.348
483 HD12 LEU 56 HD12 LEU 56 3.892 4.017 10.202
484 HD13 LEU 56 HD13 LEU 56 3.216 3.970 11.829
485 HD21 LEU 56 HD21 LEU 56 1.819 6.964 9.149
486 HD22 LEU 56 HD22 LEU 56 3.002 5.800 8.551
487 HD23 LEU 56 HD23 LEU 56 3.476 7.000 9.755
488 H LEU 57 H LEU 57 -0.680 3.014 7.882
489 HA LEU 57 HA LEU 57 -1.629 0.815 9.341
490 HB2 LEU 57 HB2 LEU 57 -2.269 1.581 6.489
491 HB3 LEU 57 HB3 LEU 57 -3.209 0.492 7.489
492 HG LEU 57 HG LEU 57 -2.801 3.433 8.034
493 HD11 LEU 57 HD11 LEU 57 -5.147 3.660 7.406
494 HD12 LEU 57 HD12 LEU 57 -5.215 1.945 7.004
495 HD13 LEU 57 HD13 LEU 57 -4.192 3.030 6.064
496 HD21 LEU 57 HD21 LEU 57 -3.099 2.147 10.076
497 HD22 LEU 57 HD22 LEU 57 -4.541 1.387 9.403
498 HD23 LEU 57 HD23 LEU 57 -4.531 3.119 9.736
499 H LEU 58 H LEU 58 0.356 1.021 6.445
500 HA LEU 58 HA LEU 58 0.239 -1.698 5.718
501 HB2 LEU 58 HB2 LEU 58 2.499 0.257 5.252
502 HB3 LEU 58 HB3 LEU 58 2.246 -1.249 4.392
503 HG LEU 58 HG LEU 58 0.616 1.274 4.227
504 HD11 LEU 58 HD11 LEU 58 1.099 1.067 1.839
505 HD12 LEU 58 HD12 LEU 58 2.049 -0.384 2.162
506 HD13 LEU 58 HD13 LEU 58 2.573 1.173 2.801
507 HD21 LEU 58 HD21 LEU 58 -0.930 0.080 2.768
508 HD22 LEU 58 HD22 LEU 58 -0.941 -0.588 4.401
509 HD23 LEU 58 HD23 LEU 58 -0.090 -1.432 3.108
510 H ASP 59 H ASP 59 2.306 0.094 7.919
511 HA ASP 59 HA ASP 59 4.176 -1.944 8.450
512 HB2 ASP 59 HB2 ASP 59 4.711 0.313 9.042
513 HB3 ASP 59 HB3 ASP 59 3.279 0.455 10.053
514 H LYS 60 H LYS 60 0.916 -1.451 9.533
515 HA LYS 60 HA LYS 60 1.147 -2.943 11.952
516 HB2 LYS 60 HB2 LYS 60 -0.447 -1.086 11.565
517 HB3 LYS 60 HB3 LYS 60 -1.274 -2.078 10.376
518 HG2 LYS 60 HG2 LYS 60 -1.164 -3.639 12.679
519 HG3 LYS 60 HG3 LYS 60 -1.581 -2.009 13.224
520 HD2 LYS 60 HD2 LYS 60 -3.625 -3.000 12.705
521 HD3 LYS 60 HD3 LYS 60 -3.267 -1.997 11.308
522 HE2 LYS 60 HE2 LYS 60 -3.987 -4.043 10.418
523 HE3 LYS 60 HE3 LYS 60 -2.234 -4.075 10.286
524 HZ1 LYS 60 HZ1 LYS 60 -2.234 -5.334 12.440
525 HZ2 LYS 60 HZ2 LYS 60 -2.882 -6.168 11.117
526 HZ3 LYS 60 HZ3 LYS 60 -3.917 -5.492 12.277
527 H ILE 61 H ILE 61 0.070 -3.593 8.632
528 HA ILE 61 HA ILE 61 -0.732 -6.295 9.288
529 HB ILE 61 HB ILE 61 -0.813 -6.547 6.724
530 HG12 ILE 61 HG12 ILE 61 -0.600 -3.536 6.932
531 HG13 ILE 61 HG13 ILE 61 0.571 -4.605 6.171
532 HG21 ILE 61 HG21 ILE 61 -2.654 -4.558 8.038
533 HG22 ILE 61 HG22 ILE 61 -2.775 -6.313 8.178
534 HG23 ILE 61 HG23 ILE 61 -3.002 -5.539 6.610
535 HD11 ILE 61 HD11 ILE 61 -0.842 -3.483 4.531
536 HD12 ILE 61 HD12 ILE 61 -2.270 -4.209 5.267
537 HD13 ILE 61 HD13 ILE 61 -1.062 -5.231 4.488
538 H GLY 62 H GLY 62 2.198 -4.758 8.635
539 HA2 GLY 62 HA2 GLY 62 4.198 -6.014 9.106
540 HA3 GLY 62 HA3 GLY 62 3.456 -7.404 8.334
541 H PHE 63 H PHE 63 3.031 -4.404 6.736
542 HA PHE 63 HA PHE 63 4.654 -5.252 4.518
543 HB2 PHE 63 HB2 PHE 63 2.528 -3.983 4.216
544 HB3 PHE 63 HB3 PHE 63 3.263 -2.599 5.009
545 HD1 PHE 63 HD1 PHE 63 5.133 -1.395 3.891
546 HD2 PHE 63 HD2 PHE 63 2.894 -4.435 1.927
547 HE1 PHE 63 HE1 PHE 63 5.936 -0.577 1.716
548 HE2 PHE 63 HE2 PHE 63 3.694 -3.622 -0.253
549 HZ PHE 63 HZ PHE 63 5.217 -1.692 -0.361
550 H VAL 64 H VAL 64 6.750 -5.180 4.697
551 HA VAL 64 HA VAL 64 8.030 -3.415 6.542
552 HB VAL 64 HB VAL 64 8.759 -5.741 6.207
553 HG11 VAL 64 HG11 VAL 64 8.452 -5.954 3.816
554 HG12 VAL 64 HG12 VAL 64 10.111 -6.353 4.263
555 HG13 VAL 64 HG13 VAL 64 9.748 -4.792 3.528
556 HG21 VAL 64 HG21 VAL 64 10.285 -4.164 7.207
557 HG22 VAL 64 HG22 VAL 64 10.837 -3.642 5.615
558 HG23 VAL 64 HG23 VAL 64 11.184 -5.279 6.175
559 H TRP 65 H TRP 65 8.985 -1.547 6.165
560 HA TRP 65 HA TRP 65 8.996 -0.487 3.451
561 HB2 TRP 65 HB2 TRP 65 9.424 0.810 6.148
562 HB3 TRP 65 HB3 TRP 65 9.554 1.673 4.619
563 HD1 TRP 65 HD1 TRP 65 7.038 0.540 7.160
564 HE1 TRP 65 HE1 TRP 65 4.672 1.208 6.391
565 HE3 TRP 65 HE3 TRP 65 8.105 1.891 2.343
566 HZ2 TRP 65 HZ2 TRP 65 3.430 2.172 4.048
567 HZ3 TRP 65 HZ3 TRP 65 6.267 2.670 0.902
568 HH2 TRP 65 HH2 TRP 65 3.979 2.808 1.740
569 H SER 66 H SER 66 10.922 -2.470 4.673
570 HA SER 66 HA SER 66 13.091 -3.049 4.494
571 HB2 SER 66 HB2 SER 66 12.745 -2.066 2.179
572 HB3 SER 66 HB3 SER 66 13.480 -0.583 2.787
573 HG SER 66 HG SER 66 15.025 -1.947 1.780
574 H LEU 67 H LEU 67 15.424 -1.525 4.367
575 HA LEU 67 HA LEU 67 16.941 -0.481 5.688
576 HB2 LEU 67 HB2 LEU 67 15.311 1.434 5.374
577 HB3 LEU 67 HB3 LEU 67 14.626 1.007 6.929
578 HG LEU 67 HG LEU 67 16.815 1.447 7.995
579 HD11 LEU 67 HD11 LEU 67 17.620 2.405 5.251
580 HD12 LEU 67 HD12 LEU 67 18.264 0.994 6.093
581 HD13 LEU 67 HD13 LEU 67 18.555 2.612 6.733
582 HD21 LEU 67 HD21 LEU 67 15.664 3.707 6.367
583 HD22 LEU 67 HD22 LEU 67 16.754 3.900 7.740
584 HD23 LEU 67 HD23 LEU 67 15.154 3.195 7.976
585 H GLU 68 H GLU 68 17.305 0.049 8.239
586 HA GLU 68 HA GLU 68 16.830 -2.520 9.467
587 HB2 GLU 68 HB2 GLU 68 19.054 -1.485 9.623
588 HB3 GLU 68 HB3 GLU 68 18.365 -0.144 10.528
589 HG2 GLU 68 HG2 GLU 68 17.748 -1.630 12.332
590 HG3 GLU 68 HG3 GLU 68 18.323 -3.021 11.417
591 H HIS 69 H HIS 69 14.514 -2.208 9.592
592 HA HIS 69 HA HIS 69 13.700 -0.600 11.899
593 HB2 HIS 69 HB2 HIS 69 12.190 -1.920 9.673
594 HB3 HIS 69 HB3 HIS 69 11.372 -1.601 11.199
595 HD1 HIS 69 HD1 HIS 69 10.741 0.803 11.732
596 HD2 HIS 69 HD2 HIS 69 12.914 0.414 8.202
597 HE1 HIS 69 HE1 HIS 69 10.580 3.035 10.584
598 HE2 HIS 69 HE2 HIS 69 12.068 2.837 8.561
599 H HIS 70 H HIS 70 14.628 -1.800 13.542
600 HA HIS 70 HA HIS 70 14.149 -4.618 13.780
601 HB2 HIS 70 HB2 HIS 70 16.151 -3.406 14.750
602 HB3 HIS 70 HB3 HIS 70 15.064 -2.725 15.957
603 HD1 HIS 70 HD1 HIS 70 14.829 -4.050 18.044
604 HD2 HIS 70 HD2 HIS 70 16.164 -6.363 14.860
605 HE1 HIS 70 HE1 HIS 70 15.311 -6.320 19.011
606 HE2 HIS 70 HE2 HIS 70 15.928 -7.752 17.030
607 H HIS 71 H HIS 71 12.102 -5.230 14.012
608 HA HIS 71 HA HIS 71 10.161 -3.511 15.287
609 HB2 HIS 71 HB2 HIS 71 9.808 -4.930 13.184
610 HB3 HIS 71 HB3 HIS 71 9.695 -6.312 14.263
611 HD1 HIS 71 HD1 HIS 71 7.731 -3.628 12.786
612 HD2 HIS 71 HD2 HIS 71 7.427 -6.107 16.116
613 HE1 HIS 71 HE1 HIS 71 5.330 -3.502 13.506
614 HE2 HIS 71 HE2 HIS 71 5.122 -5.211 15.344
615 H HIS 72 H HIS 72 10.167 -3.448 17.437
616 HA HIS 72 HA HIS 72 10.794 -5.805 19.019
617 HB2 HIS 72 HB2 HIS 72 11.684 -3.550 19.612
618 HB3 HIS 72 HB3 HIS 72 10.037 -3.008 19.908
619 HD1 HIS 72 HD1 HIS 72 9.388 -3.064 22.287
620 HD2 HIS 72 HD2 HIS 72 12.298 -5.908 21.416
621 HE1 HIS 72 HE1 HIS 72 9.955 -4.155 24.481
622 HE2 HIS 72 HE2 HIS 72 11.832 -5.755 23.952
623 H HIS 73 H HIS 73 9.322 -7.058 20.059
624 HA HIS 73 HA HIS 73 6.531 -6.600 19.484
625 HB2 HIS 73 HB2 HIS 73 6.087 -8.724 20.576
626 HB3 HIS 73 HB3 HIS 73 7.432 -8.902 19.463
627 HD1 HIS 73 HD1 HIS 73 6.768 -8.583 23.200
628 HD2 HIS 73 HD2 HIS 73 9.668 -10.001 20.569
629 HE1 HIS 73 HE1 HIS 73 8.465 -9.765 24.628
630 HE2 HIS 73 HE2 HIS 73 10.303 -10.431 23.042
631 H HIS 74 H HIS 74 4.877 -6.297 20.974
632 HA HIS 74 HA HIS 74 5.544 -5.727 23.724
633 HB2 HIS 74 HB2 HIS 74 4.508 -3.455 23.674
634 HB3 HIS 74 HB3 HIS 74 6.020 -3.558 22.789
635 HD1 HIS 74 HD1 HIS 74 2.585 -2.441 22.475
636 HD2 HIS 74 HD2 HIS 74 5.584 -3.671 19.869
637 HE1 HIS 74 HE1 HIS 74 1.895 -1.611 20.201
638 HE2 HIS 74 HE2 HIS 74 3.853 -2.139 18.704
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