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 |
|
|
653200 |
7a4l   |
34487 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 1H VAL 1 10.088 -10.335 14.051
2 H2 VAL 1 2H VAL 1 11.529 -9.784 14.602
3 H3 VAL 1 3H VAL 1 11.499 -10.885 13.385
4 HA VAL 1 HA VAL 1 12.038 -8.771 12.482
5 HB VAL 1 HB VAL 1 10.178 -8.386 10.904
6 HG11 VAL 1 1HG1 VAL 1 10.359 -10.520 9.764
7 HG12 VAL 1 2HG1 VAL 1 11.916 -10.115 10.502
8 HG13 VAL 1 3HG1 VAL 1 10.862 -11.337 11.250
9 HG21 VAL 1 1HG2 VAL 1 8.709 -10.638 12.363
10 HG22 VAL 1 2HG2 VAL 1 8.229 -8.923 12.369
11 HG23 VAL 1 3HG2 VAL 1 8.223 -9.840 10.862
12 H THR 2 H THR 2 11.602 -6.527 12.198
13 HA THR 2 HA THR 2 10.405 -5.263 14.556
14 HB THR 2 HB THR 2 11.149 -3.157 13.464
15 HG1 THR 2 HG1 THR 2 12.280 -3.225 11.640
16 HG21 THR 2 1HG2 THR 2 13.549 -3.549 13.629
17 HG22 THR 2 2HG2 THR 2 12.705 -4.384 14.944
18 HG23 THR 2 3HG2 THR 2 13.314 -5.306 13.547
19 H LYS 3 H LYS 3 8.931 -3.407 14.365
20 HA LYS 3 HA LYS 3 6.593 -4.021 12.704
21 HB2 LYS 3 2HB LYS 3 7.223 -2.007 14.849
22 HB3 LYS 3 3HB LYS 3 5.967 -1.599 13.697
23 HG2 LYS 3 2HG LYS 3 4.848 -2.591 15.517
24 HG3 LYS 3 3HG LYS 3 4.780 -3.725 14.178
25 HD2 LYS 3 2HD LYS 3 5.177 -4.948 16.182
26 HD3 LYS 3 3HD LYS 3 6.659 -5.018 15.227
27 HE2 LYS 3 2HE LYS 3 7.666 -3.222 16.607
28 HE3 LYS 3 3HE LYS 3 6.142 -3.003 17.483
29 HZ1 LYS 3 1HZ LYS 3 6.390 -5.214 18.398
30 HZ2 LYS 3 2HZ LYS 3 7.761 -5.478 17.531
31 HZ3 LYS 3 3HZ LYS 3 7.764 -4.352 18.724
32 H LYS 4 H LYS 4 5.682 -2.883 11.111
33 HA LYS 4 HA LYS 4 7.291 -0.976 9.472
34 HB2 LYS 4 2HB LYS 4 4.672 -2.475 9.168
35 HB3 LYS 4 3HB LYS 4 4.963 -1.053 8.189
36 HG2 LYS 4 2HG LYS 4 5.534 -3.073 6.983
37 HG3 LYS 4 3HG LYS 4 6.919 -2.002 7.165
38 HD2 LYS 4 2HD LYS 4 7.900 -3.426 8.866
39 HD3 LYS 4 3HD LYS 4 6.456 -4.449 8.931
40 HE2 LYS 4 2HE LYS 4 6.815 -5.230 6.664
41 HE3 LYS 4 3HE LYS 4 8.063 -4.010 6.385
42 HZ1 LYS 4 1HZ LYS 4 8.298 -6.265 8.290
43 HZ2 LYS 4 2HZ LYS 4 9.052 -6.149 6.811
44 HZ3 LYS 4 3HZ LYS 4 9.436 -5.115 8.048
45 H ALA 5 H ALA 5 6.053 1.026 8.696
46 HA ALA 5 HA ALA 5 5.078 2.650 10.915
47 HB1 ALA 5 1HB ALA 5 5.100 3.062 7.898
48 HB2 ALA 5 2HB ALA 5 4.718 4.316 9.099
49 HB3 ALA 5 3HB ALA 5 6.342 3.604 9.044
50 H SER 6 H SER 6 2.928 3.837 10.650
51 HA SER 6 HA SER 6 0.713 2.026 9.834
52 HB2 SER 6 2HB SER 6 -0.781 3.503 11.016
53 HB3 SER 6 3HB SER 6 0.515 2.950 12.082
54 HG SER 6 HG SER 6 1.559 4.972 11.758
55 H HIS 7 H HIS 7 -0.996 2.849 8.487
56 HA HIS 7 HA HIS 7 -0.041 3.531 6.013
57 HB2 HIS 7 2HB HIS 7 -2.351 3.737 5.347
58 HB3 HIS 7 3HB HIS 7 -2.164 2.433 6.518
59 HD2 HIS 7 HD2 HIS 7 -4.945 3.910 5.817
60 HE1 HIS 7 HE1 HIS 7 -4.765 5.193 9.870
61 HE2 HIS 7 HE2 HIS 7 -6.299 4.810 7.871
62 H LYS 8 H LYS 8 -1.790 5.862 8.045
63 HA LYS 8 HA LYS 8 -1.399 8.058 6.242
64 HB2 LYS 8 2HB LYS 8 -2.479 9.429 7.728
65 HB3 LYS 8 3HB LYS 8 -3.218 7.864 7.992
66 HG2 LYS 8 2HG LYS 8 -1.130 9.195 9.791
67 HG3 LYS 8 3HG LYS 8 -2.869 9.177 10.053
68 HD2 LYS 8 2HD LYS 8 -2.828 6.706 10.268
69 HD3 LYS 8 3HD LYS 8 -1.058 6.726 10.091
70 HE2 LYS 8 2HE LYS 8 -0.895 8.210 12.086
71 HE3 LYS 8 3HE LYS 8 -2.660 8.171 12.244
72 HZ1 LYS 8 1HZ LYS 8 -0.859 5.826 12.474
73 HZ2 LYS 8 2HZ LYS 8 -1.692 6.560 13.707
74 HZ3 LYS 8 3HZ LYS 8 -2.504 5.752 12.536
75 H ASP 9 H ASP 9 0.684 6.887 8.796
76 HA ASP 9 HA ASP 9 2.433 9.236 8.800
77 HB2 ASP 9 2HB ASP 9 2.085 7.706 10.743
78 HB3 ASP 9 3HB ASP 9 2.828 6.399 9.821
79 H ALA 10 H ALA 10 2.360 6.030 7.270
80 HA ALA 10 HA ALA 10 4.766 6.271 5.710
81 HB1 ALA 10 1HB ALA 10 2.302 4.494 5.438
82 HB2 ALA 10 2HB ALA 10 3.860 4.226 4.642
83 HB3 ALA 10 3HB ALA 10 3.743 4.137 6.411
84 H GLY 11 H GLY 11 1.912 8.023 5.317
85 HA2 GLY 11 2HA GLY 11 1.168 9.348 3.616
86 HA3 GLY 11 3HA GLY 11 2.688 9.057 2.758
87 H TYR 12 H TYR 12 0.107 6.723 3.698
88 HA TYR 12 HA TYR 12 -0.140 5.672 1.051
89 HB2 TYR 12 2HB TYR 12 -1.526 4.158 1.868
90 HB3 TYR 12 3HB TYR 12 -0.892 4.675 3.409
91 HD1 TYR 12 HD1 TYR 12 -2.302 6.845 4.418
92 HD2 TYR 12 HD2 TYR 12 -3.813 3.887 1.668
93 HE1 TYR 12 HE1 TYR 12 -4.636 7.449 5.044
94 HE2 TYR 12 HE2 TYR 12 -6.138 4.465 2.315
95 HH TYR 12 HH TYR 12 -7.478 5.774 3.635
96 H GLN 13 H GLN 13 -1.856 5.808 -0.444
97 HA GLN 13 HA GLN 13 -3.435 8.329 -0.425
98 HB2 GLN 13 2HB GLN 13 -2.523 9.008 -2.563
99 HB3 GLN 13 3HB GLN 13 -1.218 8.784 -1.401
100 HG2 GLN 13 2HG GLN 13 -0.864 6.457 -2.402
101 HG3 GLN 13 3HG GLN 13 -2.066 6.892 -3.618
102 HE21 GLN 13 1HE2 GLN 13 -0.596 6.658 -5.301
103 HE22 GLN 13 2HE2 GLN 13 0.727 7.808 -5.558
104 H GLU 14 H GLU 14 -4.682 8.404 -2.679
105 HA GLU 14 HA GLU 14 -6.482 6.093 -2.367
106 HB2 GLU 14 2HB GLU 14 -7.057 8.480 -1.919
107 HB3 GLU 14 3HB GLU 14 -6.935 8.818 -3.646
108 HG2 GLU 14 2HG GLU 14 -8.847 7.448 -4.138
109 HG3 GLU 14 3HG GLU 14 -8.845 6.735 -2.521
110 H SER 15 H SER 15 -4.297 7.174 -4.780
111 HA SER 15 HA SER 15 -5.198 5.087 -6.613
112 HB2 SER 15 2HB SER 15 -5.269 6.541 -8.588
113 HB3 SER 15 3HB SER 15 -6.470 7.049 -7.392
114 HG SER 15 HG SER 15 -4.859 8.620 -6.668
115 HA PRO 16 HA PRO 16 -1.130 4.213 -6.825
116 HB2 PRO 16 2HB PRO 16 -1.025 3.826 -9.791
117 HB3 PRO 16 3HB PRO 16 -0.702 2.658 -8.489
118 HG2 PRO 16 2HG PRO 16 -3.024 2.559 -9.893
119 HG3 PRO 16 3HG PRO 16 -3.005 2.271 -8.125
120 HD2 PRO 16 2HD PRO 16 -3.708 4.815 -9.609
121 HD3 PRO 16 3HD PRO 16 -4.572 4.018 -8.269
122 H ASN 17 H ASN 17 1.141 4.471 -7.660
123 HA ASN 17 HA ASN 17 1.686 7.256 -8.625
124 HB2 ASN 17 2HB ASN 17 2.498 6.697 -6.342
125 HB3 ASN 17 3HB ASN 17 3.420 5.350 -7.002
126 HD21 ASN 17 1HD2 ASN 17 5.189 6.612 -5.875
127 HD22 ASN 17 2HD2 ASN 17 5.979 7.871 -6.808
128 H GLY 18 H GLY 18 1.236 6.593 -10.852
129 HA2 GLY 18 2HA GLY 18 1.865 5.848 -12.948
130 HA3 GLY 18 3HA GLY 18 3.519 5.698 -12.343
131 H ALA 19 H ALA 19 4.310 3.673 -12.411
132 HA ALA 19 HA ALA 19 2.656 1.314 -12.742
133 HB1 ALA 19 1HB ALA 19 4.824 1.631 -13.855
134 HB2 ALA 19 2HB ALA 19 5.647 1.688 -12.276
135 HB3 ALA 19 3HB ALA 19 4.860 0.195 -12.815
136 H LYS 20 H LYS 20 3.720 2.943 -9.845
137 HA LYS 20 HA LYS 20 3.853 0.431 -8.272
138 HB2 LYS 20 2HB LYS 20 4.392 3.243 -7.296
139 HB3 LYS 20 3HB LYS 20 4.712 1.712 -6.468
140 HG2 LYS 20 2HG LYS 20 6.287 1.116 -8.373
141 HG3 LYS 20 3HG LYS 20 6.068 2.765 -8.964
142 HD2 LYS 20 2HD LYS 20 6.837 3.528 -6.592
143 HD3 LYS 20 3HD LYS 20 7.321 1.840 -6.358
144 HE2 LYS 20 2HE LYS 20 9.310 2.760 -7.135
145 HE3 LYS 20 3HE LYS 20 8.608 2.145 -8.638
146 HZ1 LYS 20 1HZ LYS 20 8.595 4.946 -7.645
147 HZ2 LYS 20 2HZ LYS 20 9.316 4.394 -9.017
148 HZ3 LYS 20 3HZ LYS 20 7.691 4.481 -8.923
149 H ARG 21 H ARG 21 2.167 -0.382 -7.352
150 HA ARG 21 HA ARG 21 0.120 1.305 -5.981
151 HB2 ARG 21 2HB ARG 21 -1.663 0.261 -6.923
152 HB3 ARG 21 3HB ARG 21 -0.569 0.316 -8.286
153 HG2 ARG 21 2HG ARG 21 0.066 -2.095 -7.815
154 HG3 ARG 21 3HG ARG 21 -1.129 -2.120 -6.505
155 HD2 ARG 21 2HD ARG 21 -2.158 -3.080 -8.485
156 HD3 ARG 21 3HD ARG 21 -2.920 -1.539 -8.130
157 HE ARG 21 HE ARG 21 -2.199 -0.722 -10.163
158 HH11 ARG 21 1HH1 ARG 21 -0.444 -3.767 -9.701
159 HH12 ARG 21 2HH1 ARG 21 0.408 -3.506 -11.224
160 HH21 ARG 21 1HH2 ARG 21 -0.789 -0.456 -11.903
161 HH22 ARG 21 2HH2 ARG 21 0.138 -1.841 -12.424
162 H CYS 22 H CYS 22 -1.312 -0.300 -4.585
163 HA CYS 22 HA CYS 22 0.415 -1.730 -2.703
164 HB2 CYS 22 2HB CYS 22 -2.566 -1.263 -2.950
165 HB3 CYS 22 3HB CYS 22 -1.836 -2.301 -1.735
166 H GLY 23 H GLY 23 1.400 -3.131 -4.114
167 HA2 GLY 23 2HA GLY 23 0.802 -5.787 -4.509
168 HA3 GLY 23 3HA GLY 23 -0.057 -4.994 -5.827
169 H THR 24 H THR 24 2.011 -2.852 -6.062
170 HA THR 24 HA THR 24 4.418 -4.313 -7.061
171 HB THR 24 HB THR 24 4.528 -2.676 -8.932
172 HG1 THR 24 HG1 THR 24 2.821 -1.407 -9.365
173 HG21 THR 24 1HG2 THR 24 1.950 -4.286 -8.910
174 HG22 THR 24 2HG2 THR 24 2.825 -3.677 -10.330
175 HG23 THR 24 3HG2 THR 24 3.560 -4.923 -9.303
176 H CYS 25 H CYS 25 3.822 -2.825 -4.508
177 HA CYS 25 HA CYS 25 5.609 -0.525 -4.544
178 HB2 CYS 25 2HB CYS 25 5.091 -0.390 -2.209
179 HB3 CYS 25 3HB CYS 25 3.613 -0.737 -3.069
180 H ARG 26 H ARG 26 5.864 -3.219 -2.363
181 HA ARG 26 HA ARG 26 8.060 -4.530 -3.737
182 HB2 ARG 26 2HB ARG 26 9.342 -2.732 -2.664
183 HB3 ARG 26 3HB ARG 26 8.617 -3.097 -1.110
184 HG2 ARG 26 2HG ARG 26 10.769 -3.926 -1.080
185 HG3 ARG 26 3HG ARG 26 9.746 -5.353 -1.171
186 HD2 ARG 26 2HD ARG 26 10.096 -5.404 -3.678
187 HD3 ARG 26 3HD ARG 26 11.268 -4.086 -3.502
188 HE ARG 26 HE ARG 26 12.083 -6.145 -1.755
189 HH11 ARG 26 1HH1 ARG 26 11.771 -5.791 -5.283
190 HH12 ARG 26 2HH1 ARG 26 13.133 -6.887 -5.517
191 HH21 ARG 26 1HH2 ARG 26 13.631 -7.747 -2.323
192 HH22 ARG 26 2HH2 ARG 26 14.082 -7.856 -4.009
193 H GLN 27 H GLN 27 6.620 -4.293 -0.422
194 HA GLN 27 HA GLN 27 6.062 -7.211 -0.567
195 HB2 GLN 27 2HB GLN 27 8.227 -6.503 0.662
196 HB3 GLN 27 3HB GLN 27 7.151 -6.013 1.975
197 HG2 GLN 27 2HG GLN 27 6.269 -8.290 2.164
198 HG3 GLN 27 3HG GLN 27 7.134 -8.788 0.708
199 HE21 GLN 27 1HE2 GLN 27 7.549 -10.347 2.887
200 HE22 GLN 27 2HE2 GLN 27 9.182 -10.017 3.515
201 H PHE 28 H PHE 28 4.195 -5.156 -1.031
202 HA PHE 28 HA PHE 28 1.904 -5.383 0.541
203 HB2 PHE 28 2HB PHE 28 1.746 -4.641 -1.715
204 HB3 PHE 28 3HB PHE 28 2.639 -6.015 -2.329
205 HD1 PHE 28 HD1 PHE 28 -0.675 -5.045 -0.869
206 HD2 PHE 28 HD2 PHE 28 1.607 -8.012 -3.020
207 HE1 PHE 28 HE1 PHE 28 -2.765 -6.287 -1.400
208 HE2 PHE 28 HE2 PHE 28 -0.480 -9.210 -3.579
209 HZ PHE 28 HZ PHE 28 -2.658 -8.370 -2.756
210 H ARG 29 H ARG 29 0.498 -7.107 1.110
211 HA ARG 29 HA ARG 29 1.833 -9.782 1.307
212 HB2 ARG 29 2HB ARG 29 1.811 -8.647 3.406
213 HB3 ARG 29 3HB ARG 29 0.084 -8.296 3.276
214 HG2 ARG 29 2HG ARG 29 -0.460 -10.644 3.359
215 HG3 ARG 29 3HG ARG 29 1.255 -11.099 3.402
216 HD2 ARG 29 2HD ARG 29 1.506 -10.141 5.618
217 HD3 ARG 29 3HD ARG 29 -0.090 -9.385 5.528
218 HE ARG 29 HE ARG 29 -1.164 -11.503 5.703
219 HH11 ARG 29 1HH1 ARG 29 2.311 -11.953 6.365
220 HH12 ARG 29 2HH1 ARG 29 1.999 -13.666 6.650
221 HH21 ARG 29 1HH2 ARG 29 -1.319 -13.622 6.216
222 HH22 ARG 29 2HH2 ARG 29 0.142 -14.520 6.596
223 HA PRO 30 HA PRO 30 -1.774 -10.449 -1.359
224 HB2 PRO 30 2HB PRO 30 -1.038 -12.967 -2.355
225 HB3 PRO 30 3HB PRO 30 -0.589 -11.386 -3.039
226 HG2 PRO 30 2HG PRO 30 1.017 -13.158 -1.215
227 HG3 PRO 30 3HG PRO 30 1.569 -12.221 -2.634
228 HD2 PRO 30 2HD PRO 30 1.949 -11.351 -0.087
229 HD3 PRO 30 3HD PRO 30 1.594 -10.208 -1.418
230 HA PRO 31 HA PRO 31 -3.308 -11.716 -2.526
231 HB2 PRO 31 2HB PRO 31 -5.927 -12.304 -2.590
232 HB3 PRO 31 3HB PRO 31 -4.682 -13.582 -2.627
233 HG2 PRO 31 2HG PRO 31 -6.243 -12.589 -0.218
234 HG3 PRO 31 3HG PRO 31 -6.009 -14.282 -0.763
235 HD2 PRO 31 2HD PRO 31 -4.435 -13.098 1.150
236 HD3 PRO 31 3HD PRO 31 -3.798 -14.329 0.024
237 H SER 32 H SER 32 -4.619 -10.576 0.534
238 HA SER 32 HA SER 32 -5.561 -8.026 -0.697
239 HB2 SER 32 2HB SER 32 -7.736 -8.326 0.481
240 HB3 SER 32 3HB SER 32 -7.435 -9.592 -0.718
241 HG SER 32 HG SER 32 -8.163 -10.546 1.202
242 H SER 33 H SER 33 -3.277 -8.696 1.228
243 HA SER 33 HA SER 33 -4.085 -6.879 3.455
244 HB2 SER 33 2HB SER 33 -2.263 -9.293 3.632
245 HB3 SER 33 3HB SER 33 -2.708 -8.232 4.968
246 HG SER 33 HG SER 33 -4.586 -9.228 5.157
247 H CYS 34 H CYS 34 -2.152 -6.036 4.647
248 HA CYS 34 HA CYS 34 0.382 -5.830 3.121
249 HB2 CYS 34 2HB CYS 34 -0.799 -3.885 2.420
250 HB3 CYS 34 3HB CYS 34 -1.256 -3.467 4.074
251 H ILE 35 H ILE 35 1.611 -4.138 4.825
252 HA ILE 35 HA ILE 35 1.494 -5.326 7.559
253 HB ILE 35 HB ILE 35 4.158 -4.793 6.218
254 HG12 ILE 35 2HG1 ILE 35 2.761 -7.503 6.358
255 HG13 ILE 35 3HG1 ILE 35 3.079 -6.583 4.884
256 HG21 ILE 35 1HG2 ILE 35 3.346 -6.481 8.637
257 HG22 ILE 35 2HG2 ILE 35 5.004 -6.163 8.107
258 HG23 ILE 35 3HG2 ILE 35 4.017 -4.846 8.725
259 HD11 ILE 35 1HD1 ILE 35 5.527 -6.756 5.296
260 HD12 ILE 35 2HD1 ILE 35 5.176 -7.852 6.655
261 HD13 ILE 35 3HD1 ILE 35 4.708 -8.302 5.011
262 H THR 36 H THR 36 2.342 -2.632 5.412
263 HA THR 36 HA THR 36 2.710 -0.684 7.582
264 HB THR 36 HB THR 36 2.400 -0.376 4.572
265 HG1 THR 36 HG1 THR 36 4.538 -0.142 4.571
266 HG21 THR 36 1HG2 THR 36 3.411 1.854 4.903
267 HG22 THR 36 2HG2 THR 36 1.823 1.744 5.670
268 HG23 THR 36 3HG2 THR 36 3.291 1.645 6.671
269 H VAL 37 H VAL 37 0.164 -1.557 5.197
270 HA VAL 37 HA VAL 37 -1.756 0.281 6.531
271 HB VAL 37 HB VAL 37 -1.774 -1.265 3.964
272 HG11 VAL 37 1HG1 VAL 37 -4.215 0.025 5.263
273 HG12 VAL 37 2HG1 VAL 37 -4.099 -0.382 3.547
274 HG13 VAL 37 3HG1 VAL 37 -4.039 -1.672 4.746
275 HG21 VAL 37 1HG2 VAL 37 -0.823 1.098 4.163
276 HG22 VAL 37 2HG2 VAL 37 -2.095 0.854 2.957
277 HG23 VAL 37 3HG2 VAL 37 -2.500 1.631 4.474
278 H GLU 38 H GLU 38 -3.371 -0.282 7.757
279 HA GLU 38 HA GLU 38 -3.672 -2.896 8.917
280 HB2 GLU 38 2HB GLU 38 -4.144 -0.708 10.000
281 HB3 GLU 38 3HB GLU 38 -5.496 -0.484 8.882
282 HG2 GLU 38 2HG GLU 38 -6.520 -2.614 9.812
283 HG3 GLU 38 3HG GLU 38 -5.205 -2.655 10.997
284 H SER 39 H SER 39 -4.582 -4.593 8.007
285 HA SER 39 HA SER 39 -5.749 -4.362 5.382
286 HB2 SER 39 2HB SER 39 -5.099 -6.759 7.131
287 HB3 SER 39 3HB SER 39 -5.531 -6.853 5.417
288 HG SER 39 HG SER 39 -3.251 -5.698 6.634
289 HA PRO 40 HA PRO 40 -6.961 -6.299 4.015
290 HB2 PRO 40 2HB PRO 40 -9.685 -5.555 3.013
291 HB3 PRO 40 3HB PRO 40 -8.704 -7.013 2.666
292 HG2 PRO 40 2HG PRO 40 -10.769 -7.170 4.397
293 HG3 PRO 40 3HG PRO 40 -9.207 -7.946 4.825
294 HD2 PRO 40 2HD PRO 40 -10.226 -5.198 5.659
295 HD3 PRO 40 3HD PRO 40 -9.610 -6.521 6.694
296 H ILE 41 H ILE 41 -6.548 -5.324 1.910
297 HA ILE 41 HA ILE 41 -6.331 -2.367 2.159
298 HB ILE 41 HB ILE 41 -4.290 -3.736 2.316
299 HG12 ILE 41 2HG1 ILE 41 -4.165 -1.921 -0.125
300 HG13 ILE 41 3HG1 ILE 41 -4.399 -1.297 1.507
301 HG21 ILE 41 1HG2 ILE 41 -4.492 -4.188 -0.693
302 HG22 ILE 41 2HG2 ILE 41 -3.299 -4.843 0.448
303 HG23 ILE 41 3HG2 ILE 41 -4.968 -5.413 0.481
304 HD11 ILE 41 1HD1 ILE 41 -2.016 -2.928 0.537
305 HD12 ILE 41 2HD1 ILE 41 -2.045 -1.203 0.935
306 HD13 ILE 41 3HD1 ILE 41 -2.309 -2.392 2.207
307 H SER 42 H SER 42 -6.532 -0.953 0.495
308 HA SER 42 HA SER 42 -8.008 -1.653 -1.958
309 HB2 SER 42 2HB SER 42 -8.038 0.595 -0.594
310 HB3 SER 42 3HB SER 42 -6.521 0.938 -1.403
311 HG SER 42 HG SER 42 -7.802 1.686 -2.886
312 H GLU 43 H GLU 43 -6.848 -2.721 -3.603
313 HA GLU 43 HA GLU 43 -3.985 -2.724 -3.681
314 HB2 GLU 43 2HB GLU 43 -4.164 -3.838 -5.829
315 HB3 GLU 43 3HB GLU 43 -5.158 -4.575 -4.574
316 HG2 GLU 43 2HG GLU 43 -7.170 -3.516 -5.477
317 HG3 GLU 43 3HG GLU 43 -6.223 -2.732 -6.749
318 H ASN 44 H ASN 44 -6.250 -0.444 -5.115
319 HA ASN 44 HA ASN 44 -4.282 0.774 -6.876
320 HB2 ASN 44 2HB ASN 44 -7.032 1.650 -5.903
321 HB3 ASN 44 3HB ASN 44 -6.043 2.625 -6.980
322 HD21 ASN 44 1HD2 ASN 44 -7.912 -0.334 -6.748
323 HD22 ASN 44 2HD2 ASN 44 -7.731 -0.791 -8.440
324 H GLY 45 H GLY 45 -4.291 0.859 -3.497
325 HA2 GLY 45 2HA GLY 45 -4.131 3.595 -2.923
326 HA3 GLY 45 3HA GLY 45 -3.462 2.311 -1.926
327 H TRP 46 H TRP 46 -1.290 1.541 -2.563
328 HA TRP 46 HA TRP 46 0.897 1.894 -2.532
329 HB2 TRP 46 2HB TRP 46 0.709 2.940 -4.827
330 HB3 TRP 46 3HB TRP 46 0.657 4.497 -4.035
331 HD1 TRP 46 HD1 TRP 46 3.005 1.419 -4.073
332 HE1 TRP 46 HE1 TRP 46 5.445 2.229 -3.939
333 HE3 TRP 46 HE3 TRP 46 2.192 6.442 -3.581
334 HZ2 TRP 46 HZ2 TRP 46 6.859 4.751 -3.896
335 HZ3 TRP 46 HZ3 TRP 46 4.096 8.027 -3.483
336 HH2 TRP 46 HH2 TRP 46 6.437 7.190 -3.632
337 H CYS 47 H CYS 47 2.461 2.912 -1.237
338 HA CYS 47 HA CYS 47 1.773 5.393 0.183
339 HB2 CYS 47 2HB CYS 47 2.243 4.490 2.362
340 HB3 CYS 47 3HB CYS 47 1.130 3.330 1.609
341 H ARG 48 H ARG 48 3.706 6.340 1.253
342 HA ARG 48 HA ARG 48 5.972 6.122 -0.634
343 HB2 ARG 48 2HB ARG 48 5.558 8.144 1.601
344 HB3 ARG 48 3HB ARG 48 6.725 8.246 0.293
345 HG2 ARG 48 2HG ARG 48 4.072 8.019 -0.880
346 HG3 ARG 48 3HG ARG 48 4.028 9.224 0.406
347 HD2 ARG 48 2HD ARG 48 6.038 10.331 -0.676
348 HD3 ARG 48 3HD ARG 48 5.864 9.176 -2.016
349 HE ARG 48 HE ARG 48 3.370 10.538 -1.429
350 HH11 ARG 48 1HH1 ARG 48 6.424 11.174 -3.232
351 HH12 ARG 48 2HH1 ARG 48 5.553 12.337 -4.210
352 HH21 ARG 48 1HH2 ARG 48 2.627 12.290 -2.620
353 HH22 ARG 48 2HH2 ARG 48 3.636 12.880 -3.943
354 H LEU 49 H LEU 49 5.256 4.571 2.175
355 HA LEU 49 HA LEU 49 8.113 4.059 2.734
356 HB2 LEU 49 2HB LEU 49 7.157 5.838 4.306
357 HB3 LEU 49 3HB LEU 49 6.131 4.567 4.965
358 HG LEU 49 HG LEU 49 8.154 3.310 5.693
359 HD11 LEU 49 1HD1 LEU 49 9.836 4.073 4.071
360 HD12 LEU 49 2HD1 LEU 49 9.671 5.745 4.648
361 HD13 LEU 49 3HD1 LEU 49 10.352 4.486 5.701
362 HD21 LEU 49 1HD2 LEU 49 8.764 4.828 7.501
363 HD22 LEU 49 2HD2 LEU 49 8.141 6.223 6.591
364 HD23 LEU 49 3HD2 LEU 49 7.029 4.966 7.172
365 H TYR 50 H TYR 50 6.735 2.545 1.160
366 HA TYR 50 HA TYR 50 5.113 0.586 2.208
367 HB2 TYR 50 2HB TYR 50 5.569 -0.620 0.080
368 HB3 TYR 50 3HB TYR 50 5.059 1.046 -0.073
369 HD1 TYR 50 HD1 TYR 50 8.162 -1.078 -0.085
370 HD2 TYR 50 HD2 TYR 50 6.250 2.526 -1.469
371 HE1 TYR 50 HE1 TYR 50 10.049 -0.679 -1.672
372 HE2 TYR 50 HE2 TYR 50 8.138 2.919 -3.055
373 HH TYR 50 HH TYR 50 10.156 2.121 -3.888
374 H ALA 51 H ALA 51 5.268 -1.644 2.509
375 HA ALA 51 HA ALA 51 7.412 -2.446 4.238
376 HB1 ALA 51 1HB ALA 51 5.200 -4.054 2.893
377 HB2 ALA 51 2HB ALA 51 6.218 -4.623 4.232
378 HB3 ALA 51 3HB ALA 51 5.105 -3.257 4.474
379 H GLY 52 H GLY 52 9.075 -3.894 3.951
380 HA2 GLY 52 2HA GLY 52 10.490 -5.388 2.689
381 HA3 GLY 52 3HA GLY 52 9.862 -4.715 1.183
382 H LYS 53 H LYS 53 10.161 -1.982 2.830
383 HA LYS 53 HA LYS 53 12.915 -1.244 2.138
384 HB2 LYS 53 2HB LYS 53 10.699 0.094 3.747
385 HB3 LYS 53 3HB LYS 53 12.290 0.817 3.489
386 HG2 LYS 53 2HG LYS 53 11.981 0.816 1.067
387 HG3 LYS 53 3HG LYS 53 10.406 0.028 1.226
388 HD2 LYS 53 2HD LYS 53 9.539 1.927 2.512
389 HD3 LYS 53 3HD LYS 53 11.106 2.738 2.448
390 HE2 LYS 53 2HE LYS 53 9.456 2.012 -0.014
391 HE3 LYS 53 3HE LYS 53 9.368 3.579 0.808
392 HZ1 LYS 53 1HZ LYS 53 10.911 3.725 -1.017
393 HZ2 LYS 53 2HZ LYS 53 11.744 3.855 0.396
394 HZ3 LYS 53 3HZ LYS 53 11.807 2.466 -0.477
395 H ALA 54 H ALA 54 14.281 -0.246 3.923
396 HA ALA 54 HA ALA 54 15.194 -2.305 5.647
397 HB1 ALA 54 1HB ALA 54 15.759 0.682 5.739
398 HB2 ALA 54 2HB ALA 54 16.721 -0.578 6.524
399 HB3 ALA 54 3HB ALA 54 16.643 -0.515 4.754
Start of MODEL 2
1 H1 VAL 1 1H VAL 1 8.066 -6.725 15.568
2 H2 VAL 1 2H VAL 1 7.723 -8.222 16.152
3 H3 VAL 1 3H VAL 1 7.443 -7.875 14.575
4 HA VAL 1 HA VAL 1 10.076 -7.991 15.887
5 HB VAL 1 HB VAL 1 9.113 -9.794 13.647
6 HG11 VAL 1 1HG1 VAL 1 11.579 -9.858 15.445
7 HG12 VAL 1 2HG1 VAL 1 11.140 -11.090 14.244
8 HG13 VAL 1 3HG1 VAL 1 11.561 -9.462 13.712
9 HG21 VAL 1 1HG2 VAL 1 9.328 -10.344 16.644
10 HG22 VAL 1 2HG2 VAL 1 7.853 -10.413 15.644
11 HG23 VAL 1 3HG2 VAL 1 9.134 -11.590 15.395
12 H THR 2 H THR 2 8.557 -7.587 12.574
13 HA THR 2 HA THR 2 10.908 -6.042 11.711
14 HB THR 2 HB THR 2 8.182 -6.148 10.394
15 HG1 THR 2 HG1 THR 2 8.701 -7.931 9.593
16 HG21 THR 2 1HG2 THR 2 9.510 -5.647 8.332
17 HG22 THR 2 2HG2 THR 2 9.513 -4.323 9.500
18 HG23 THR 2 3HG2 THR 2 10.937 -5.378 9.356
19 H LYS 3 H LYS 3 11.212 -3.893 11.922
20 HA LYS 3 HA LYS 3 9.130 -2.159 13.135
21 HB2 LYS 3 2HB LYS 3 11.445 -2.122 13.979
22 HB3 LYS 3 3HB LYS 3 12.045 -1.618 12.407
23 HG2 LYS 3 2HG LYS 3 10.065 0.004 14.078
24 HG3 LYS 3 3HG LYS 3 11.815 0.148 14.205
25 HD2 LYS 3 2HD LYS 3 11.875 0.706 11.718
26 HD3 LYS 3 3HD LYS 3 10.108 0.864 11.796
27 HE2 LYS 3 2HE LYS 3 10.342 2.551 13.599
28 HE3 LYS 3 3HE LYS 3 12.103 2.420 13.478
29 HZ1 LYS 3 1HZ LYS 3 11.881 3.135 11.134
30 HZ2 LYS 3 2HZ LYS 3 10.265 3.377 11.353
31 HZ3 LYS 3 3HZ LYS 3 11.334 4.278 12.205
32 H LYS 4 H LYS 4 7.812 -0.983 11.878
33 HA LYS 4 HA LYS 4 8.632 -0.127 9.171
34 HB2 LYS 4 2HB LYS 4 6.754 -1.012 8.036
35 HB3 LYS 4 3HB LYS 4 7.633 -2.338 8.769
36 HG2 LYS 4 2HG LYS 4 5.099 -1.145 9.987
37 HG3 LYS 4 3HG LYS 4 5.083 -2.400 8.757
38 HD2 LYS 4 2HD LYS 4 6.436 -3.868 10.315
39 HD3 LYS 4 3HD LYS 4 6.183 -2.643 11.580
40 HE2 LYS 4 2HE LYS 4 3.726 -2.864 11.311
41 HE3 LYS 4 3HE LYS 4 3.964 -4.046 10.019
42 HZ1 LYS 4 1HZ LYS 4 5.112 -5.463 11.710
43 HZ2 LYS 4 2HZ LYS 4 4.650 -4.364 12.878
44 HZ3 LYS 4 3HZ LYS 4 3.532 -5.211 12.036
45 H ALA 5 H ALA 5 7.165 1.367 8.140
46 HA ALA 5 HA ALA 5 6.033 3.353 9.917
47 HB1 ALA 5 1HB ALA 5 7.043 3.918 7.752
48 HB2 ALA 5 2HB ALA 5 5.824 2.944 6.904
49 HB3 ALA 5 3HB ALA 5 5.339 4.411 7.775
50 H SER 6 H SER 6 3.820 4.039 9.969
51 HA SER 6 HA SER 6 1.764 1.924 9.595
52 HB2 SER 6 2HB SER 6 0.305 3.213 10.884
53 HB3 SER 6 3HB SER 6 1.850 3.293 11.737
54 HG SER 6 HG SER 6 2.098 5.381 11.142
55 H HIS 7 H HIS 7 -0.299 2.667 8.595
56 HA HIS 7 HA HIS 7 -0.134 3.468 5.931
57 HB2 HIS 7 2HB HIS 7 -2.577 3.746 6.153
58 HB3 HIS 7 3HB HIS 7 -1.999 2.296 6.968
59 HD2 HIS 7 HD2 HIS 7 -4.644 4.449 7.532
60 HE1 HIS 7 HE1 HIS 7 -3.192 3.897 11.491
61 HE2 HIS 7 HE2 HIS 7 -5.187 4.663 10.082
62 H LYS 8 H LYS 8 -0.520 5.524 8.741
63 HA LYS 8 HA LYS 8 -0.853 7.994 7.130
64 HB2 LYS 8 2HB LYS 8 -0.568 7.644 10.146
65 HB3 LYS 8 3HB LYS 8 -0.990 9.126 9.301
66 HG2 LYS 8 2HG LYS 8 -2.676 6.637 9.630
67 HG3 LYS 8 3HG LYS 8 -2.995 8.272 10.198
68 HD2 LYS 8 2HD LYS 8 -3.086 8.939 7.686
69 HD3 LYS 8 3HD LYS 8 -3.115 7.210 7.346
70 HE2 LYS 8 2HE LYS 8 -5.360 7.983 7.291
71 HE3 LYS 8 3HE LYS 8 -5.196 7.011 8.761
72 HZ1 LYS 8 1HZ LYS 8 -5.203 8.988 10.067
73 HZ2 LYS 8 2HZ LYS 8 -4.878 9.960 8.790
74 HZ3 LYS 8 3HZ LYS 8 -6.355 9.286 8.940
75 H ASP 9 H ASP 9 1.752 6.420 8.934
76 HA ASP 9 HA ASP 9 3.617 8.661 8.624
77 HB2 ASP 9 2HB ASP 9 4.077 5.728 9.281
78 HB3 ASP 9 3HB ASP 9 5.311 6.981 9.358
79 H ALA 10 H ALA 10 2.721 5.875 6.687
80 HA ALA 10 HA ALA 10 4.788 6.398 4.676
81 HB1 ALA 10 1HB ALA 10 2.593 4.285 4.820
82 HB2 ALA 10 2HB ALA 10 3.967 4.298 3.698
83 HB3 ALA 10 3HB ALA 10 4.247 4.084 5.430
84 H GLY 11 H GLY 11 1.818 7.745 5.271
85 HA2 GLY 11 2HA GLY 11 0.470 9.117 4.092
86 HA3 GLY 11 3HA GLY 11 1.835 9.337 2.987
87 H TYR 12 H TYR 12 -0.562 6.726 3.696
88 HA TYR 12 HA TYR 12 -0.610 5.799 1.042
89 HB2 TYR 12 2HB TYR 12 -2.301 4.338 1.665
90 HB3 TYR 12 3HB TYR 12 -1.182 4.477 2.995
91 HD1 TYR 12 HD1 TYR 12 -2.933 7.369 3.691
92 HD2 TYR 12 HD2 TYR 12 -3.584 3.109 3.392
93 HE1 TYR 12 HE1 TYR 12 -4.879 7.558 5.195
94 HE2 TYR 12 HE2 TYR 12 -5.470 3.299 4.986
95 HH TYR 12 HH TYR 12 -6.688 4.675 6.310
96 H GLN 13 H GLN 13 -2.173 5.707 -0.555
97 HA GLN 13 HA GLN 13 -3.790 8.197 -0.968
98 HB2 GLN 13 2HB GLN 13 -2.032 6.650 -2.926
99 HB3 GLN 13 3HB GLN 13 -2.972 8.085 -3.312
100 HG2 GLN 13 2HG GLN 13 -0.600 7.972 -1.405
101 HG3 GLN 13 3HG GLN 13 -0.609 8.641 -3.027
102 HE21 GLN 13 1HE2 GLN 13 -0.504 9.693 0.054
103 HE22 GLN 13 2HE2 GLN 13 -1.446 11.175 -0.135
104 H GLU 14 H GLU 14 -5.142 7.838 -3.155
105 HA GLU 14 HA GLU 14 -6.685 5.289 -2.835
106 HB2 GLU 14 2HB GLU 14 -7.608 7.944 -3.986
107 HB3 GLU 14 3HB GLU 14 -8.582 6.487 -3.755
108 HG2 GLU 14 2HG GLU 14 -8.145 6.618 -1.291
109 HG3 GLU 14 3HG GLU 14 -7.295 8.146 -1.539
110 H SER 15 H SER 15 -4.371 6.603 -4.847
111 HA SER 15 HA SER 15 -5.073 4.714 -7.003
112 HB2 SER 15 2HB SER 15 -4.326 7.625 -7.434
113 HB3 SER 15 3HB SER 15 -4.288 6.403 -8.709
114 HG SER 15 HG SER 15 -6.479 6.025 -8.370
115 HA PRO 16 HA PRO 16 -0.693 3.703 -6.952
116 HB2 PRO 16 2HB PRO 16 -0.952 3.593 -9.958
117 HB3 PRO 16 3HB PRO 16 -0.245 2.379 -8.863
118 HG2 PRO 16 2HG PRO 16 -2.701 1.993 -9.912
119 HG3 PRO 16 3HG PRO 16 -2.407 1.626 -8.181
120 HD2 PRO 16 2HD PRO 16 -3.630 4.119 -9.380
121 HD3 PRO 16 3HD PRO 16 -4.209 3.124 -8.017
122 H ASN 17 H ASN 17 1.249 4.776 -7.197
123 HA ASN 17 HA ASN 17 1.222 7.522 -8.325
124 HB2 ASN 17 2HB ASN 17 2.118 7.270 -6.122
125 HB3 ASN 17 3HB ASN 17 3.202 5.970 -6.614
126 HD21 ASN 17 1HD2 ASN 17 2.633 9.468 -6.780
127 HD22 ASN 17 2HD2 ASN 17 4.233 9.836 -7.438
128 H GLY 18 H GLY 18 1.112 7.192 -10.524
129 HA2 GLY 18 2HA GLY 18 1.847 6.695 -12.676
130 HA3 GLY 18 3HA GLY 18 3.466 6.363 -12.039
131 H ALA 19 H ALA 19 4.095 4.256 -11.863
132 HA ALA 19 HA ALA 19 2.094 2.083 -12.244
133 HB1 ALA 19 1HB ALA 19 4.022 2.201 -13.792
134 HB2 ALA 19 2HB ALA 19 5.133 2.028 -12.411
135 HB3 ALA 19 3HB ALA 19 4.023 0.713 -12.829
136 H LYS 20 H LYS 20 3.790 3.572 -9.591
137 HA LYS 20 HA LYS 20 4.309 1.130 -8.089
138 HB2 LYS 20 2HB LYS 20 3.998 3.917 -6.943
139 HB3 LYS 20 3HB LYS 20 4.761 2.512 -6.191
140 HG2 LYS 20 2HG LYS 20 6.564 2.582 -7.891
141 HG3 LYS 20 3HG LYS 20 5.770 3.980 -8.623
142 HD2 LYS 20 2HD LYS 20 6.012 5.226 -6.462
143 HD3 LYS 20 3HD LYS 20 6.919 3.845 -5.808
144 HE2 LYS 20 2HE LYS 20 8.604 4.104 -7.619
145 HE3 LYS 20 3HE LYS 20 7.684 5.461 -8.283
146 HZ1 LYS 20 1HZ LYS 20 8.072 6.650 -6.172
147 HZ2 LYS 20 2HZ LYS 20 8.954 5.398 -5.599
148 HZ3 LYS 20 3HZ LYS 20 9.495 6.238 -6.910
149 H ARG 21 H ARG 21 2.803 -0.133 -7.238
150 HA ARG 21 HA ARG 21 0.402 1.020 -5.924
151 HB2 ARG 21 2HB ARG 21 -1.129 -0.016 -7.184
152 HB3 ARG 21 3HB ARG 21 0.109 0.008 -8.419
153 HG2 ARG 21 2HG ARG 21 0.756 -2.336 -7.715
154 HG3 ARG 21 3HG ARG 21 -0.629 -2.339 -6.600
155 HD2 ARG 21 2HD ARG 21 -2.180 -1.965 -8.463
156 HD3 ARG 21 3HD ARG 21 -0.851 -1.930 -9.616
157 HE ARG 21 HE ARG 21 -2.186 -4.230 -8.635
158 HH11 ARG 21 1HH1 ARG 21 1.013 -3.313 -9.831
159 HH12 ARG 21 2HH1 ARG 21 1.518 -5.000 -9.849
160 HH21 ARG 21 1HH2 ARG 21 -1.379 -6.327 -8.771
161 HH22 ARG 21 2HH2 ARG 21 0.256 -6.564 -9.343
162 H CYS 22 H CYS 22 -0.721 -0.547 -4.504
163 HA CYS 22 HA CYS 22 0.980 -2.137 -2.812
164 HB2 CYS 22 2HB CYS 22 -2.026 -1.921 -3.185
165 HB3 CYS 22 3HB CYS 22 -1.225 -2.673 -1.827
166 H GLY 23 H GLY 23 2.040 -3.735 -3.961
167 HA2 GLY 23 2HA GLY 23 1.617 -6.160 -4.750
168 HA3 GLY 23 3HA GLY 23 0.593 -5.400 -5.971
169 H THR 24 H THR 24 2.817 -3.113 -5.872
170 HA THR 24 HA THR 24 5.185 -4.597 -6.779
171 HB THR 24 HB THR 24 3.944 -4.019 -8.858
172 HG1 THR 24 HG1 THR 24 5.806 -3.322 -9.891
173 HG21 THR 24 1HG2 THR 24 3.126 -1.783 -8.285
174 HG22 THR 24 2HG2 THR 24 4.795 -1.174 -8.175
175 HG23 THR 24 3HG2 THR 24 4.157 -1.730 -9.726
176 H CYS 25 H CYS 25 4.042 -2.541 -4.611
177 HA CYS 25 HA CYS 25 6.377 -0.872 -4.106
178 HB2 CYS 25 2HB CYS 25 5.293 -0.446 -2.067
179 HB3 CYS 25 3HB CYS 25 3.925 -0.782 -3.098
180 H ARG 26 H ARG 26 7.576 -1.524 -1.845
181 HA ARG 26 HA ARG 26 8.826 -4.148 -2.372
182 HB2 ARG 26 2HB ARG 26 9.457 -2.130 -0.213
183 HB3 ARG 26 3HB ARG 26 10.405 -3.544 -0.600
184 HG2 ARG 26 2HG ARG 26 9.903 -1.222 -2.520
185 HG3 ARG 26 3HG ARG 26 11.354 -1.466 -1.558
186 HD2 ARG 26 2HD ARG 26 10.354 -3.327 -3.753
187 HD3 ARG 26 3HD ARG 26 11.641 -2.138 -3.909
188 HE ARG 26 HE ARG 26 12.958 -3.341 -2.247
189 HH11 ARG 26 1HH1 ARG 26 10.436 -5.280 -3.812
190 HH12 ARG 26 2HH1 ARG 26 11.206 -6.760 -3.363
191 HH21 ARG 26 1HH2 ARG 26 13.763 -5.264 -1.583
192 HH22 ARG 26 2HH2 ARG 26 12.877 -6.749 -1.888
193 H GLN 27 H GLN 27 6.082 -3.358 -0.601
194 HA GLN 27 HA GLN 27 6.421 -5.814 1.052
195 HB2 GLN 27 2HB GLN 27 6.382 -3.837 2.443
196 HB3 GLN 27 3HB GLN 27 4.847 -3.330 1.755
197 HG2 GLN 27 2HG GLN 27 4.580 -4.343 3.974
198 HG3 GLN 27 3HG GLN 27 3.710 -5.267 2.776
199 HE21 GLN 27 1HE2 GLN 27 4.384 -7.470 2.319
200 HE22 GLN 27 2HE2 GLN 27 5.565 -8.257 3.347
201 H PHE 28 H PHE 28 3.307 -4.192 0.570
202 HA PHE 28 HA PHE 28 1.295 -5.159 0.403
203 HB2 PHE 28 2HB PHE 28 1.837 -4.988 -1.948
204 HB3 PHE 28 3HB PHE 28 2.533 -6.605 -1.946
205 HD1 PHE 28 HD1 PHE 28 -0.703 -4.873 -1.037
206 HD2 PHE 28 HD2 PHE 28 1.191 -8.363 -2.724
207 HE1 PHE 28 HE1 PHE 28 -2.927 -5.816 -1.590
208 HE2 PHE 28 HE2 PHE 28 -1.038 -9.295 -3.291
209 HZ PHE 28 HZ PHE 28 -3.101 -8.028 -2.722
210 H ARG 29 H ARG 29 -0.102 -7.123 0.547
211 HA ARG 29 HA ARG 29 1.234 -9.618 1.409
212 HB2 ARG 29 2HB ARG 29 1.137 -8.390 3.465
213 HB3 ARG 29 3HB ARG 29 -0.569 -8.004 3.235
214 HG2 ARG 29 2HG ARG 29 -1.205 -10.310 3.476
215 HG3 ARG 29 3HG ARG 29 0.492 -10.836 3.528
216 HD2 ARG 29 2HD ARG 29 0.795 -9.494 5.624
217 HD3 ARG 29 3HD ARG 29 -0.924 -9.060 5.565
218 HE ARG 29 HE ARG 29 -0.041 -11.925 5.652
219 HH11 ARG 29 1HH1 ARG 29 -1.726 -9.370 7.464
220 HH12 ARG 29 2HH1 ARG 29 -2.517 -10.567 8.442
221 HH21 ARG 29 1HH2 ARG 29 -1.157 -13.273 6.865
222 HH22 ARG 29 2HH2 ARG 29 -2.307 -12.693 8.064
223 HA PRO 30 HA PRO 30 -2.257 -10.723 -1.267
224 HB2 PRO 30 2HB PRO 30 -1.057 -13.441 -0.683
225 HB3 PRO 30 3HB PRO 30 -1.706 -12.810 -2.227
226 HG2 PRO 30 2HG PRO 30 0.961 -12.852 -1.816
227 HG3 PRO 30 3HG PRO 30 0.201 -11.397 -2.542
228 HD2 PRO 30 2HD PRO 30 1.058 -11.840 0.327
229 HD3 PRO 30 3HD PRO 30 1.278 -10.401 -0.715
230 HA PRO 31 HA PRO 31 -4.003 -11.911 -2.018
231 HB2 PRO 31 2HB PRO 31 -6.657 -12.302 -2.025
232 HB3 PRO 31 3HB PRO 31 -5.531 -13.634 -1.623
233 HG2 PRO 31 2HG PRO 31 -7.057 -11.845 0.305
234 HG3 PRO 31 3HG PRO 31 -6.957 -13.635 0.301
235 HD2 PRO 31 2HD PRO 31 -5.323 -12.026 1.850
236 HD3 PRO 31 3HD PRO 31 -4.808 -13.613 1.215
237 H SER 32 H SER 32 -5.193 -9.907 0.583
238 HA SER 32 HA SER 32 -5.460 -7.547 -1.119
239 HB2 SER 32 2HB SER 32 -7.829 -7.108 -0.508
240 HB3 SER 32 3HB SER 32 -7.630 -8.519 -1.548
241 HG SER 32 HG SER 32 -9.078 -8.900 0.150
242 H SER 33 H SER 33 -3.608 -7.894 0.804
243 HA SER 33 HA SER 33 -4.503 -6.219 3.106
244 HB2 SER 33 2HB SER 33 -2.962 -8.840 3.231
245 HB3 SER 33 3HB SER 33 -3.336 -7.798 4.605
246 HG SER 33 HG SER 33 -4.733 -9.622 4.256
247 H CYS 34 H CYS 34 -2.500 -5.685 4.520
248 HA CYS 34 HA CYS 34 0.049 -5.499 3.058
249 HB2 CYS 34 2HB CYS 34 -1.148 -3.433 2.455
250 HB3 CYS 34 3HB CYS 34 -1.419 -3.086 4.167
251 H ILE 35 H ILE 35 1.561 -4.257 4.663
252 HA ILE 35 HA ILE 35 1.239 -5.176 7.484
253 HB ILE 35 HB ILE 35 3.768 -5.505 5.838
254 HG12 ILE 35 2HG1 ILE 35 1.870 -7.506 7.143
255 HG13 ILE 35 3HG1 ILE 35 2.139 -7.270 5.418
256 HG21 ILE 35 1HG2 ILE 35 3.347 -5.992 8.815
257 HG22 ILE 35 2HG2 ILE 35 4.805 -6.421 7.893
258 HG23 ILE 35 3HG2 ILE 35 4.381 -4.739 8.075
259 HD11 ILE 35 1HD1 ILE 35 4.519 -8.052 5.739
260 HD12 ILE 35 2HD1 ILE 35 4.068 -8.510 7.400
261 HD13 ILE 35 3HD1 ILE 35 3.260 -9.268 6.024
262 H THR 36 H THR 36 2.318 -2.750 5.177
263 HA THR 36 HA THR 36 3.124 -0.785 7.189
264 HB THR 36 HB THR 36 2.159 -0.135 4.406
265 HG1 THR 36 HG1 THR 36 3.719 -1.029 3.512
266 HG21 THR 36 1HG2 THR 36 2.898 1.702 5.931
267 HG22 THR 36 2HG2 THR 36 4.488 0.915 6.073
268 HG23 THR 36 3HG2 THR 36 3.938 1.541 4.504
269 H VAL 37 H VAL 37 0.206 -1.759 5.436
270 HA VAL 37 HA VAL 37 -1.502 0.038 7.123
271 HB VAL 37 HB VAL 37 -2.183 -1.121 4.405
272 HG11 VAL 37 1HG1 VAL 37 -3.936 0.641 4.347
273 HG12 VAL 37 2HG1 VAL 37 -4.201 -0.557 5.596
274 HG13 VAL 37 3HG1 VAL 37 -3.569 1.037 6.038
275 HG21 VAL 37 1HG2 VAL 37 -1.845 1.127 3.453
276 HG22 VAL 37 2HG2 VAL 37 -1.181 1.685 4.998
277 HG23 VAL 37 3HG2 VAL 37 -0.347 0.444 4.061
278 H GLU 38 H GLU 38 -3.485 -0.864 7.939
279 HA GLU 38 HA GLU 38 -3.474 -3.715 8.552
280 HB2 GLU 38 2HB GLU 38 -4.295 -1.786 9.995
281 HB3 GLU 38 3HB GLU 38 -5.681 -1.683 8.899
282 HG2 GLU 38 2HG GLU 38 -6.115 -4.168 9.472
283 HG3 GLU 38 3HG GLU 38 -4.868 -4.020 10.701
284 H SER 39 H SER 39 -4.916 -5.350 7.773
285 HA SER 39 HA SER 39 -5.987 -5.014 5.105
286 HB2 SER 39 2HB SER 39 -6.630 -7.335 5.261
287 HB3 SER 39 3HB SER 39 -5.009 -7.124 5.941
288 HG SER 39 HG SER 39 -7.402 -7.841 7.166
289 HA PRO 40 HA PRO 40 -7.601 -5.981 3.745
290 HB2 PRO 40 2HB PRO 40 -9.713 -5.250 2.218
291 HB3 PRO 40 3HB PRO 40 -9.788 -6.639 3.335
292 HG2 PRO 40 2HG PRO 40 -10.762 -3.808 3.806
293 HG3 PRO 40 3HG PRO 40 -11.640 -5.341 4.104
294 HD2 PRO 40 2HD PRO 40 -10.293 -3.987 6.086
295 HD3 PRO 40 3HD PRO 40 -10.418 -5.768 6.068
296 H ILE 41 H ILE 41 -6.965 -4.982 1.769
297 HA ILE 41 HA ILE 41 -6.999 -2.021 1.679
298 HB ILE 41 HB ILE 41 -4.782 -3.071 2.512
299 HG12 ILE 41 2HG1 ILE 41 -4.899 -0.969 0.314
300 HG13 ILE 41 3HG1 ILE 41 -5.048 -0.732 2.054
301 HG21 ILE 41 1HG2 ILE 41 -4.267 -3.429 -0.465
302 HG22 ILE 41 2HG2 ILE 41 -3.201 -3.834 0.885
303 HG23 ILE 41 3HG2 ILE 41 -4.677 -4.768 0.622
304 HD11 ILE 41 1HD1 ILE 41 -2.668 -1.561 2.279
305 HD12 ILE 41 2HD1 ILE 41 -2.561 -1.554 0.505
306 HD13 ILE 41 3HD1 ILE 41 -2.856 -0.043 1.374
307 H SER 42 H SER 42 -6.896 -1.060 -0.256
308 HA SER 42 HA SER 42 -7.785 -2.316 -2.750
309 HB2 SER 42 2HB SER 42 -7.122 0.371 -1.620
310 HB3 SER 42 3HB SER 42 -6.637 0.172 -3.283
311 HG SER 42 HG SER 42 -8.739 -0.118 -3.868
312 H GLU 43 H GLU 43 -6.322 -3.187 -4.372
313 HA GLU 43 HA GLU 43 -3.468 -2.998 -3.978
314 HB2 GLU 43 2HB GLU 43 -3.146 -3.801 -6.198
315 HB3 GLU 43 3HB GLU 43 -4.298 -4.786 -5.294
316 HG2 GLU 43 2HG GLU 43 -6.141 -3.869 -6.526
317 HG3 GLU 43 3HG GLU 43 -5.118 -2.664 -7.317
318 H ASN 44 H ASN 44 -5.768 -0.789 -5.304
319 HA ASN 44 HA ASN 44 -3.811 1.073 -6.423
320 HB2 ASN 44 2HB ASN 44 -5.836 2.488 -6.753
321 HB3 ASN 44 3HB ASN 44 -6.021 0.879 -7.436
322 HD21 ASN 44 1HD2 ASN 44 -7.263 3.183 -5.132
323 HD22 ASN 44 2HD2 ASN 44 -8.592 2.184 -4.589
324 H GLY 45 H GLY 45 -4.265 0.280 -3.239
325 HA2 GLY 45 2HA GLY 45 -4.943 2.812 -2.041
326 HA3 GLY 45 3HA GLY 45 -4.458 1.323 -1.226
327 H TRP 46 H TRP 46 -2.340 2.714 -3.577
328 HA TRP 46 HA TRP 46 -0.089 1.992 -2.359
329 HB2 TRP 46 2HB TRP 46 -0.227 2.734 -4.660
330 HB3 TRP 46 3HB TRP 46 -0.528 4.391 -4.162
331 HD1 TRP 46 HD1 TRP 46 2.309 1.785 -4.022
332 HE1 TRP 46 HE1 TRP 46 4.554 2.999 -3.831
333 HE3 TRP 46 HE3 TRP 46 0.634 6.586 -3.563
334 HZ2 TRP 46 HZ2 TRP 46 5.534 5.708 -3.780
335 HZ3 TRP 46 HZ3 TRP 46 2.253 8.471 -3.358
336 HH2 TRP 46 HH2 TRP 46 4.697 8.032 -3.447
337 H CYS 47 H CYS 47 1.468 2.570 -0.970
338 HA CYS 47 HA CYS 47 1.439 5.307 0.204
339 HB2 CYS 47 2HB CYS 47 1.924 4.475 2.321
340 HB3 CYS 47 3HB CYS 47 0.816 3.227 1.719
341 H ARG 48 H ARG 48 3.505 6.167 0.771
342 HA ARG 48 HA ARG 48 5.517 5.672 -1.322
343 HB2 ARG 48 2HB ARG 48 4.892 7.938 -0.668
344 HB3 ARG 48 3HB ARG 48 5.290 7.602 1.020
345 HG2 ARG 48 2HG ARG 48 7.705 7.367 0.364
346 HG3 ARG 48 3HG ARG 48 7.261 7.804 -1.307
347 HD2 ARG 48 2HD ARG 48 6.398 9.954 -0.515
348 HD3 ARG 48 3HD ARG 48 6.628 9.432 1.171
349 HE ARG 48 HE ARG 48 9.184 9.245 0.115
350 HH11 ARG 48 1HH1 ARG 48 6.913 11.938 0.172
351 HH12 ARG 48 2HH1 ARG 48 8.203 13.110 0.253
352 HH21 ARG 48 1HH2 ARG 48 10.707 10.708 0.162
353 HH22 ARG 48 2HH2 ARG 48 10.359 12.436 0.237
354 H LEU 49 H LEU 49 5.095 4.695 1.975
355 HA LEU 49 HA LEU 49 8.018 4.221 2.267
356 HB2 LEU 49 2HB LEU 49 6.573 6.191 3.510
357 HB3 LEU 49 3HB LEU 49 6.497 4.901 4.713
358 HG LEU 49 HG LEU 49 9.054 4.779 4.543
359 HD11 LEU 49 1HD1 LEU 49 9.348 5.956 2.366
360 HD12 LEU 49 2HD1 LEU 49 8.607 7.420 3.052
361 HD13 LEU 49 3HD1 LEU 49 10.163 6.827 3.664
362 HD21 LEU 49 1HD2 LEU 49 7.919 5.916 6.397
363 HD22 LEU 49 2HD2 LEU 49 9.342 6.844 5.899
364 HD23 LEU 49 3HD2 LEU 49 7.725 7.387 5.413
365 H TYR 50 H TYR 50 6.309 2.354 1.332
366 HA TYR 50 HA TYR 50 5.421 0.286 2.819
367 HB2 TYR 50 2HB TYR 50 6.446 -1.115 0.860
368 HB3 TYR 50 3HB TYR 50 5.204 0.081 0.557
369 HD1 TYR 50 HD1 TYR 50 8.971 -0.155 0.548
370 HD2 TYR 50 HD2 TYR 50 5.435 1.701 -1.070
371 HE1 TYR 50 HE1 TYR 50 10.348 0.921 -1.217
372 HE2 TYR 50 HE2 TYR 50 6.812 2.757 -2.856
373 HH TYR 50 HH TYR 50 10.354 2.228 -3.093
374 H ALA 51 H ALA 51 6.098 -1.438 3.880
375 HA ALA 51 HA ALA 51 8.624 -1.462 5.181
376 HB1 ALA 51 1HB ALA 51 6.513 -3.650 5.064
377 HB2 ALA 51 2HB ALA 51 7.704 -3.383 6.350
378 HB3 ALA 51 3HB ALA 51 6.397 -2.212 6.091
379 H GLY 52 H GLY 52 9.600 -3.940 5.430
380 HA2 GLY 52 2HA GLY 52 10.516 -4.761 2.706
381 HA3 GLY 52 3HA GLY 52 11.554 -4.742 4.126
382 H LYS 53 H LYS 53 10.737 -6.842 2.190
383 HA LYS 53 HA LYS 53 10.108 -8.978 4.155
384 HB2 LYS 53 2HB LYS 53 8.787 -10.203 2.461
385 HB3 LYS 53 3HB LYS 53 8.057 -8.681 2.969
386 HG2 LYS 53 2HG LYS 53 8.807 -7.584 0.921
387 HG3 LYS 53 3HG LYS 53 9.627 -9.056 0.380
388 HD2 LYS 53 2HD LYS 53 7.477 -10.219 0.195
389 HD3 LYS 53 3HD LYS 53 6.626 -8.822 0.890
390 HE2 LYS 53 2HE LYS 53 7.290 -7.413 -0.997
391 HE3 LYS 53 3HE LYS 53 8.238 -8.734 -1.703
392 HZ1 LYS 53 1HZ LYS 53 6.222 -9.962 -2.062
393 HZ2 LYS 53 2HZ LYS 53 5.306 -8.864 -1.250
394 HZ3 LYS 53 3HZ LYS 53 5.969 -8.456 -2.675
395 H ALA 54 H ALA 54 10.798 -11.088 3.580
396 HA ALA 54 HA ALA 54 13.558 -11.188 3.231
397 HB1 ALA 54 1HB ALA 54 12.230 -12.743 4.588
398 HB2 ALA 54 2HB ALA 54 11.532 -13.450 3.112
399 HB3 ALA 54 3HB ALA 54 13.268 -13.617 3.446
Start of MODEL 3
1 H1 VAL 1 1H VAL 1 7.131 -8.458 20.143
2 H2 VAL 1 2H VAL 1 6.671 -6.894 20.416
3 H3 VAL 1 3H VAL 1 7.425 -7.747 21.593
4 HA VAL 1 HA VAL 1 9.016 -6.282 20.753
5 HB VAL 1 HB VAL 1 9.490 -9.054 19.607
6 HG11 VAL 1 1HG1 VAL 1 11.448 -6.764 20.099
7 HG12 VAL 1 2HG1 VAL 1 11.898 -8.439 19.726
8 HG13 VAL 1 3HG1 VAL 1 11.041 -7.497 18.524
9 HG21 VAL 1 1HG2 VAL 1 10.860 -9.358 21.642
10 HG22 VAL 1 2HG2 VAL 1 10.398 -7.752 22.219
11 HG23 VAL 1 3HG2 VAL 1 9.183 -9.039 22.076
12 H THR 2 H THR 2 7.635 -8.134 17.935
13 HA THR 2 HA THR 2 8.926 -6.355 16.082
14 HB THR 2 HB THR 2 7.653 -7.556 14.353
15 HG1 THR 2 HG1 THR 2 6.484 -9.387 15.061
16 HG21 THR 2 1HG2 THR 2 9.816 -8.442 15.265
17 HG22 THR 2 2HG2 THR 2 8.886 -9.467 16.381
18 HG23 THR 2 3HG2 THR 2 8.745 -9.691 14.626
19 H LYS 3 H LYS 3 8.085 -4.888 14.654
20 HA LYS 3 HA LYS 3 5.321 -3.881 14.877
21 HB2 LYS 3 2HB LYS 3 6.624 -2.834 16.750
22 HB3 LYS 3 3HB LYS 3 7.748 -2.151 15.590
23 HG2 LYS 3 2HG LYS 3 4.841 -1.512 15.153
24 HG3 LYS 3 3HG LYS 3 5.553 -0.899 16.644
25 HD2 LYS 3 2HD LYS 3 7.305 0.278 15.433
26 HD3 LYS 3 3HD LYS 3 6.707 -0.338 13.884
27 HE2 LYS 3 2HE LYS 3 4.552 0.786 14.219
28 HE3 LYS 3 3HE LYS 3 5.048 1.341 15.825
29 HZ1 LYS 3 1HZ LYS 3 5.281 2.990 13.936
30 HZ2 LYS 3 2HZ LYS 3 6.656 2.769 14.844
31 HZ3 LYS 3 3HZ LYS 3 6.520 2.092 13.368
32 H LYS 4 H LYS 4 4.748 -2.530 13.118
33 HA LYS 4 HA LYS 4 6.826 -1.809 11.123
34 HB2 LYS 4 2HB LYS 4 5.230 -3.985 10.627
35 HB3 LYS 4 3HB LYS 4 4.174 -2.700 10.055
36 HG2 LYS 4 2HG LYS 4 5.380 -3.433 8.158
37 HG3 LYS 4 3HG LYS 4 6.137 -1.909 8.603
38 HD2 LYS 4 2HD LYS 4 7.929 -3.290 9.825
39 HD3 LYS 4 3HD LYS 4 7.168 -4.742 9.139
40 HE2 LYS 4 2HE LYS 4 7.512 -3.765 6.839
41 HE3 LYS 4 3HE LYS 4 8.303 -2.378 7.595
42 HZ1 LYS 4 1HZ LYS 4 9.984 -3.854 6.862
43 HZ2 LYS 4 2HZ LYS 4 9.974 -3.968 8.500
44 HZ3 LYS 4 3HZ LYS 4 9.318 -5.160 7.567
45 H ALA 5 H ALA 5 6.245 0.008 9.789
46 HA ALA 5 HA ALA 5 5.055 2.155 11.157
47 HB1 ALA 5 1HB ALA 5 5.456 1.769 8.166
48 HB2 ALA 5 2HB ALA 5 5.280 3.329 9.000
49 HB3 ALA 5 3HB ALA 5 6.707 2.323 9.311
50 H SER 6 H SER 6 3.193 3.474 10.620
51 HA SER 6 HA SER 6 0.843 1.983 9.506
52 HB2 SER 6 2HB SER 6 1.083 4.200 11.513
53 HB3 SER 6 3HB SER 6 -0.337 4.153 10.458
54 HG SER 6 HG SER 6 -0.928 2.950 12.097
55 H HIS 7 H HIS 7 -0.538 2.959 8.107
56 HA HIS 7 HA HIS 7 0.220 4.089 5.752
57 HB2 HIS 7 2HB HIS 7 -2.128 4.515 5.464
58 HB3 HIS 7 3HB HIS 7 -1.925 3.040 6.380
59 HD2 HIS 7 HD2 HIS 7 -4.652 4.636 6.351
60 HE1 HIS 7 HE1 HIS 7 -3.779 5.602 10.403
61 HE2 HIS 7 HE2 HIS 7 -5.618 5.486 8.642
62 H LYS 8 H LYS 8 -0.741 5.994 8.544
63 HA LYS 8 HA LYS 8 -0.580 8.617 7.511
64 HB2 LYS 8 2HB LYS 8 -0.533 9.271 9.871
65 HB3 LYS 8 3HB LYS 8 -1.659 7.944 9.605
66 HG2 LYS 8 2HG LYS 8 0.577 6.504 10.271
67 HG3 LYS 8 3HG LYS 8 0.929 7.988 11.139
68 HD2 LYS 8 2HD LYS 8 -1.646 6.369 11.347
69 HD3 LYS 8 3HD LYS 8 -0.260 6.127 12.372
70 HE2 LYS 8 2HE LYS 8 -1.920 8.708 12.107
71 HE3 LYS 8 3HE LYS 8 -2.110 7.530 13.401
72 HZ1 LYS 8 1HZ LYS 8 0.109 8.088 14.204
73 HZ2 LYS 8 2HZ LYS 8 0.350 9.139 12.963
74 HZ3 LYS 8 3HZ LYS 8 -0.805 9.433 14.083
75 H ASP 9 H ASP 9 2.061 6.639 8.863
76 HA ASP 9 HA ASP 9 4.024 8.843 8.666
77 HB2 ASP 9 2HB ASP 9 4.458 5.874 9.190
78 HB3 ASP 9 3HB ASP 9 5.634 7.167 9.388
79 H ALA 10 H ALA 10 3.218 5.777 7.093
80 HA ALA 10 HA ALA 10 5.262 5.765 5.134
81 HB1 ALA 10 1HB ALA 10 2.535 4.409 5.258
82 HB2 ALA 10 2HB ALA 10 3.890 3.885 4.244
83 HB3 ALA 10 3HB ALA 10 4.028 3.798 6.008
84 H GLY 11 H GLY 11 2.434 7.725 5.164
85 HA2 GLY 11 2HA GLY 11 1.755 9.312 3.651
86 HA3 GLY 11 3HA GLY 11 3.128 8.891 2.619
87 H TYR 12 H TYR 12 0.251 7.052 3.702
88 HA TYR 12 HA TYR 12 -0.209 5.912 1.080
89 HB2 TYR 12 2HB TYR 12 -1.404 4.427 2.173
90 HB3 TYR 12 3HB TYR 12 -0.752 5.100 3.595
91 HD1 TYR 12 HD1 TYR 12 -2.247 7.431 4.330
92 HD2 TYR 12 HD2 TYR 12 -3.652 3.916 2.260
93 HE1 TYR 12 HE1 TYR 12 -4.545 7.830 5.193
94 HE2 TYR 12 HE2 TYR 12 -5.928 4.281 3.183
95 HH TYR 12 HH TYR 12 -7.262 5.598 4.463
96 H GLN 13 H GLN 13 -2.145 6.123 -0.245
97 HA GLN 13 HA GLN 13 -3.934 8.380 0.157
98 HB2 GLN 13 2HB GLN 13 -3.404 9.502 -2.010
99 HB3 GLN 13 3HB GLN 13 -2.206 9.728 -0.747
100 HG2 GLN 13 2HG GLN 13 -0.649 8.226 -1.798
101 HG3 GLN 13 3HG GLN 13 -1.867 7.641 -2.936
102 HE21 GLN 13 1HE2 GLN 13 -2.195 8.782 -4.860
103 HE22 GLN 13 2HE2 GLN 13 -1.523 10.395 -5.157
104 H GLU 14 H GLU 14 -5.752 8.434 -1.192
105 HA GLU 14 HA GLU 14 -6.674 5.833 -1.917
106 HB2 GLU 14 2HB GLU 14 -7.971 7.837 -0.982
107 HB3 GLU 14 3HB GLU 14 -7.890 8.525 -2.595
108 HG2 GLU 14 2HG GLU 14 -9.952 7.617 -2.679
109 HG3 GLU 14 3HG GLU 14 -9.066 6.256 -3.330
110 H SER 15 H SER 15 -5.229 8.354 -3.914
111 HA SER 15 HA SER 15 -6.059 7.029 -6.424
112 HB2 SER 15 2HB SER 15 -4.673 9.644 -5.877
113 HB3 SER 15 3HB SER 15 -4.785 8.932 -7.502
114 HG SER 15 HG SER 15 -7.005 8.819 -7.306
115 HA PRO 16 HA PRO 16 -2.185 4.797 -6.298
116 HB2 PRO 16 2HB PRO 16 -2.746 3.825 -9.043
117 HB3 PRO 16 3HB PRO 16 -2.567 2.900 -7.521
118 HG2 PRO 16 2HG PRO 16 -4.991 3.259 -8.764
119 HG3 PRO 16 3HG PRO 16 -4.817 3.145 -6.992
120 HD2 PRO 16 2HD PRO 16 -5.099 5.621 -8.699
121 HD3 PRO 16 3HD PRO 16 -5.887 5.189 -7.151
122 H ASN 17 H ASN 17 -0.156 4.537 -7.372
123 HA ASN 17 HA ASN 17 0.792 6.702 -9.113
124 HB2 ASN 17 2HB ASN 17 2.103 5.710 -7.188
125 HB3 ASN 17 3HB ASN 17 2.154 4.187 -8.062
126 HD21 ASN 17 1HD2 ASN 17 4.439 4.191 -8.108
127 HD22 ASN 17 2HD2 ASN 17 5.340 5.379 -9.067
128 H GLY 18 H GLY 18 1.685 6.335 -11.227
129 HA2 GLY 18 2HA GLY 18 0.428 4.372 -12.945
130 HA3 GLY 18 3HA GLY 18 1.762 5.449 -13.364
131 H ALA 19 H ALA 19 3.783 4.653 -11.707
132 HA ALA 19 HA ALA 19 4.517 1.950 -12.571
133 HB1 ALA 19 1HB ALA 19 5.980 4.092 -10.991
134 HB2 ALA 19 2HB ALA 19 6.694 2.572 -11.595
135 HB3 ALA 19 3HB ALA 19 6.097 3.785 -12.730
136 H LYS 20 H LYS 20 6.063 1.897 -9.705
137 HA LYS 20 HA LYS 20 4.350 -0.211 -8.680
138 HB2 LYS 20 2HB LYS 20 6.699 1.220 -7.378
139 HB3 LYS 20 3HB LYS 20 5.841 -0.163 -6.679
140 HG2 LYS 20 2HG LYS 20 6.405 -1.515 -8.717
141 HG3 LYS 20 3HG LYS 20 7.349 -0.140 -9.305
142 HD2 LYS 20 2HD LYS 20 8.740 -0.288 -7.179
143 HD3 LYS 20 3HD LYS 20 7.842 -1.744 -6.760
144 HE2 LYS 20 2HE LYS 20 9.908 -2.441 -7.753
145 HE3 LYS 20 3HE LYS 20 8.621 -2.800 -8.913
146 HZ1 LYS 20 1HZ LYS 20 10.344 -0.375 -9.017
147 HZ2 LYS 20 2HZ LYS 20 10.588 -1.726 -9.934
148 HZ3 LYS 20 3HZ LYS 20 9.249 -0.806 -10.139
149 H ARG 21 H ARG 21 2.948 -0.308 -7.153
150 HA ARG 21 HA ARG 21 2.177 1.939 -5.385
151 HB2 ARG 21 2HB ARG 21 -0.049 2.107 -6.248
152 HB3 ARG 21 3HB ARG 21 1.019 2.199 -7.639
153 HG2 ARG 21 2HG ARG 21 0.583 -0.467 -7.654
154 HG3 ARG 21 3HG ARG 21 -0.850 0.026 -6.755
155 HD2 ARG 21 2HD ARG 21 -1.575 0.047 -8.986
156 HD3 ARG 21 3HD ARG 21 -1.152 1.739 -8.776
157 HE ARG 21 HE ARG 21 0.947 1.332 -9.978
158 HH11 ARG 21 1HH1 ARG 21 -1.431 -1.255 -10.489
159 HH12 ARG 21 2HH1 ARG 21 -0.306 -2.066 -11.581
160 HH21 ARG 21 1HH2 ARG 21 2.092 0.306 -11.473
161 HH22 ARG 21 2HH2 ARG 21 1.526 -1.219 -12.158
162 H CYS 22 H CYS 22 -0.131 0.796 -4.253
163 HA CYS 22 HA CYS 22 0.741 -1.351 -2.681
164 HB2 CYS 22 2HB CYS 22 -2.045 -0.547 -3.585
165 HB3 CYS 22 3HB CYS 22 -1.725 -1.746 -2.358
166 H GLY 23 H GLY 23 0.750 -3.573 -2.855
167 HA2 GLY 23 2HA GLY 23 0.514 -5.702 -3.791
168 HA3 GLY 23 3HA GLY 23 -0.511 -5.029 -5.049
169 H THR 24 H THR 24 1.871 -3.088 -5.726
170 HA THR 24 HA THR 24 3.801 -5.046 -6.933
171 HB THR 24 HB THR 24 4.430 -2.974 -8.384
172 HG1 THR 24 HG1 THR 24 1.708 -2.408 -8.078
173 HG21 THR 24 1HG2 THR 24 2.715 -3.538 -10.081
174 HG22 THR 24 2HG2 THR 24 3.531 -4.954 -9.400
175 HG23 THR 24 3HG2 THR 24 1.886 -4.551 -8.876
176 H CYS 25 H CYS 25 3.450 -3.019 -4.352
177 HA CYS 25 HA CYS 25 5.927 -1.618 -4.289
178 HB2 CYS 25 2HB CYS 25 5.217 -1.005 -2.097
179 HB3 CYS 25 3HB CYS 25 3.761 -1.110 -3.046
180 H ARG 26 H ARG 26 7.542 -1.895 -2.580
181 HA ARG 26 HA ARG 26 8.820 -4.485 -2.426
182 HB2 ARG 26 2HB ARG 26 9.183 -1.895 -0.849
183 HB3 ARG 26 3HB ARG 26 10.252 -3.278 -0.700
184 HG2 ARG 26 2HG ARG 26 9.848 -1.607 -3.210
185 HG3 ARG 26 3HG ARG 26 11.214 -1.572 -2.092
186 HD2 ARG 26 2HD ARG 26 11.401 -4.151 -2.666
187 HD3 ARG 26 3HD ARG 26 10.447 -3.715 -4.079
188 HE ARG 26 HE ARG 26 12.225 -2.333 -4.876
189 HH11 ARG 26 1HH1 ARG 26 13.252 -3.992 -1.904
190 HH12 ARG 26 2HH1 ARG 26 14.925 -3.532 -2.232
191 HH21 ARG 26 1HH2 ARG 26 14.395 -1.887 -5.118
192 HH22 ARG 26 2HH2 ARG 26 15.521 -2.527 -3.948
193 H GLN 27 H GLN 27 5.954 -3.791 -0.967
194 HA GLN 27 HA GLN 27 6.531 -5.760 1.184
195 HB2 GLN 27 2HB GLN 27 6.373 -3.528 2.159
196 HB3 GLN 27 3HB GLN 27 4.754 -3.322 1.496
197 HG2 GLN 27 2HG GLN 27 3.921 -5.145 2.943
198 HG3 GLN 27 3HG GLN 27 5.571 -5.535 3.444
199 HE21 GLN 27 1HE2 GLN 27 3.234 -2.746 3.447
200 HE22 GLN 27 2HE2 GLN 27 3.877 -2.086 4.922
201 H PHE 28 H PHE 28 3.316 -4.509 0.626
202 HA PHE 28 HA PHE 28 1.393 -5.672 0.559
203 HB2 PHE 28 2HB PHE 28 2.026 -5.777 -1.832
204 HB3 PHE 28 3HB PHE 28 2.750 -7.353 -1.556
205 HD1 PHE 28 HD1 PHE 28 -0.553 -5.599 -1.004
206 HD2 PHE 28 HD2 PHE 28 1.511 -9.220 -2.120
207 HE1 PHE 28 HE1 PHE 28 -2.716 -6.662 -1.612
208 HE2 PHE 28 HE2 PHE 28 -0.657 -10.268 -2.724
209 HZ PHE 28 HZ PHE 28 -2.765 -8.972 -2.493
210 H ARG 29 H ARG 29 0.225 -7.671 1.140
211 HA ARG 29 HA ARG 29 1.843 -9.746 2.574
212 HB2 ARG 29 2HB ARG 29 1.252 -7.796 4.069
213 HB3 ARG 29 3HB ARG 29 -0.434 -8.175 3.800
214 HG2 ARG 29 2HG ARG 29 0.099 -9.045 5.879
215 HG3 ARG 29 3HG ARG 29 -0.021 -10.449 4.813
216 HD2 ARG 29 2HD ARG 29 2.370 -10.725 4.795
217 HD3 ARG 29 3HD ARG 29 2.636 -9.111 5.449
218 HE ARG 29 HE ARG 29 1.973 -9.821 7.636
219 HH11 ARG 29 1HH1 ARG 29 1.940 -12.615 5.474
220 HH12 ARG 29 2HH1 ARG 29 2.094 -13.693 6.855
221 HH21 ARG 29 1HH2 ARG 29 2.124 -11.276 9.210
222 HH22 ARG 29 2HH2 ARG 29 2.131 -13.002 8.827
223 HA PRO 30 HA PRO 30 -1.187 -11.392 -0.406
224 HB2 PRO 30 2HB PRO 30 0.458 -13.864 0.186
225 HB3 PRO 30 3HB PRO 30 -0.209 -13.317 -1.387
226 HG2 PRO 30 2HG PRO 30 2.390 -12.872 -0.798
227 HG3 PRO 30 3HG PRO 30 1.414 -11.559 -1.534
228 HD2 PRO 30 2HD PRO 30 2.172 -11.948 1.371
229 HD3 PRO 30 3HD PRO 30 2.164 -10.452 0.392
230 HA PRO 31 HA PRO 31 -2.586 -13.011 -1.337
231 HB2 PRO 31 2HB PRO 31 -5.193 -13.633 -1.554
232 HB3 PRO 31 3HB PRO 31 -3.979 -14.843 -1.038
233 HG2 PRO 31 2HG PRO 31 -5.812 -13.181 0.728
234 HG3 PRO 31 3HG PRO 31 -5.548 -14.954 0.772
235 HD2 PRO 31 2HD PRO 31 -4.192 -13.207 2.417
236 HD3 PRO 31 3HD PRO 31 -3.461 -14.715 1.806
237 H SER 32 H SER 32 -4.274 -10.996 1.006
238 HA SER 32 HA SER 32 -4.782 -8.877 -1.012
239 HB2 SER 32 2HB SER 32 -7.221 -8.832 -0.368
240 HB3 SER 32 3HB SER 32 -6.734 -10.294 -1.226
241 HG SER 32 HG SER 32 -7.918 -10.975 0.461
242 H SER 33 H SER 33 -3.184 -9.171 1.562
243 HA SER 33 HA SER 33 -4.377 -6.877 3.059
244 HB2 SER 33 2HB SER 33 -2.527 -9.015 4.126
245 HB3 SER 33 3HB SER 33 -3.339 -7.750 5.046
246 HG SER 33 HG SER 33 -4.464 -9.728 5.213
247 H CYS 34 H CYS 34 -2.651 -5.740 4.329
248 HA CYS 34 HA CYS 34 0.006 -5.546 3.002
249 HB2 CYS 34 2HB CYS 34 -1.276 -3.648 2.213
250 HB3 CYS 34 3HB CYS 34 -1.840 -3.270 3.827
251 H ILE 35 H ILE 35 1.021 -3.798 4.833
252 HA ILE 35 HA ILE 35 0.426 -4.808 7.556
253 HB ILE 35 HB ILE 35 3.297 -4.139 6.894
254 HG12 ILE 35 2HG1 ILE 35 2.078 -6.937 6.810
255 HG13 ILE 35 3HG1 ILE 35 2.784 -6.065 5.444
256 HG21 ILE 35 1HG2 ILE 35 2.425 -4.095 9.269
257 HG22 ILE 35 2HG2 ILE 35 2.009 -5.808 9.110
258 HG23 ILE 35 3HG2 ILE 35 3.700 -5.284 9.031
259 HD11 ILE 35 1HD1 ILE 35 4.281 -7.149 7.848
260 HD12 ILE 35 2HD1 ILE 35 4.396 -7.655 6.159
261 HD13 ILE 35 3HD1 ILE 35 4.997 -6.056 6.635
262 H THR 36 H THR 36 1.692 -2.262 5.425
263 HA THR 36 HA THR 36 1.745 -0.061 7.242
264 HB THR 36 HB THR 36 1.155 -0.155 4.249
265 HG1 THR 36 HG1 THR 36 3.276 0.192 4.012
266 HG21 THR 36 1HG2 THR 36 2.076 2.107 6.049
267 HG22 THR 36 2HG2 THR 36 2.113 2.136 4.264
268 HG23 THR 36 3HG2 THR 36 0.568 2.021 5.099
269 H VAL 37 H VAL 37 -0.802 -1.186 4.982
270 HA VAL 37 HA VAL 37 -2.851 0.455 6.434
271 HB VAL 37 HB VAL 37 -2.947 -0.693 3.623
272 HG11 VAL 37 1HG1 VAL 37 -4.916 1.058 5.177
273 HG12 VAL 37 2HG1 VAL 37 -4.994 0.780 3.427
274 HG13 VAL 37 3HG1 VAL 37 -5.204 -0.576 4.534
275 HG21 VAL 37 1HG2 VAL 37 -1.423 1.320 3.886
276 HG22 VAL 37 2HG2 VAL 37 -2.797 1.574 2.819
277 HG23 VAL 37 3HG2 VAL 37 -2.833 2.235 4.463
278 H GLU 38 H GLU 38 -4.637 -0.546 7.299
279 HA GLU 38 HA GLU 38 -4.387 -3.389 7.872
280 HB2 GLU 38 2HB GLU 38 -4.907 -1.761 9.583
281 HB3 GLU 38 3HB GLU 38 -6.292 -1.224 8.646
282 HG2 GLU 38 2HG GLU 38 -7.005 -2.537 10.589
283 HG3 GLU 38 3HG GLU 38 -7.422 -3.405 9.123
284 H SER 39 H SER 39 -6.038 -4.983 7.569
285 HA SER 39 HA SER 39 -6.402 -5.010 4.765
286 HB2 SER 39 2HB SER 39 -7.002 -7.401 5.062
287 HB3 SER 39 3HB SER 39 -5.509 -6.927 5.869
288 HG SER 39 HG SER 39 -7.164 -8.280 6.981
289 HA PRO 40 HA PRO 40 -7.280 -6.395 3.182
290 HB2 PRO 40 2HB PRO 40 -8.770 -6.438 0.974
291 HB3 PRO 40 3HB PRO 40 -9.138 -7.516 2.352
292 HG2 PRO 40 2HG PRO 40 -10.434 -4.838 1.709
293 HG3 PRO 40 3HG PRO 40 -11.246 -6.399 2.051
294 HD2 PRO 40 2HD PRO 40 -10.810 -4.496 3.988
295 HD3 PRO 40 3HD PRO 40 -10.785 -6.248 4.343
296 H ILE 41 H ILE 41 -6.203 -5.666 1.247
297 HA ILE 41 HA ILE 41 -6.320 -2.730 0.765
298 HB ILE 41 HB ILE 41 -4.244 -3.614 1.958
299 HG12 ILE 41 2HG1 ILE 41 -2.680 -2.176 0.914
300 HG13 ILE 41 3HG1 ILE 41 -3.505 -2.201 -0.630
301 HG21 ILE 41 1HG2 ILE 41 -3.518 -4.619 -0.832
302 HG22 ILE 41 2HG2 ILE 41 -2.494 -4.649 0.601
303 HG23 ILE 41 3HG2 ILE 41 -3.947 -5.657 0.543
304 HD11 ILE 41 1HD1 ILE 41 -4.731 -1.025 1.891
305 HD12 ILE 41 2HD1 ILE 41 -3.778 -0.087 0.719
306 HD13 ILE 41 3HD1 ILE 41 -5.307 -0.824 0.220
307 H SER 42 H SER 42 -5.246 -2.211 -1.427
308 HA SER 42 HA SER 42 -6.337 -3.978 -3.577
309 HB2 SER 42 2HB SER 42 -7.777 -1.967 -2.726
310 HB3 SER 42 3HB SER 42 -6.595 -0.971 -3.547
311 HG SER 42 HG SER 42 -8.133 -1.405 -5.044
312 H GLU 43 H GLU 43 -5.658 -2.093 -5.642
313 HA GLU 43 HA GLU 43 -2.748 -1.588 -5.233
314 HB2 GLU 43 2HB GLU 43 -2.361 -1.393 -7.404
315 HB3 GLU 43 3HB GLU 43 -3.550 -2.685 -7.387
316 HG2 GLU 43 2HG GLU 43 -5.335 -0.930 -7.797
317 HG3 GLU 43 3HG GLU 43 -4.048 0.239 -8.106
318 H ASN 44 H ASN 44 -5.838 -0.056 -5.176
319 HA ASN 44 HA ASN 44 -4.766 2.656 -4.863
320 HB2 ASN 44 2HB ASN 44 -7.160 3.165 -4.196
321 HB3 ASN 44 3HB ASN 44 -6.913 2.612 -5.843
322 HD21 ASN 44 1HD2 ASN 44 -8.502 1.851 -2.769
323 HD22 ASN 44 2HD2 ASN 44 -9.344 0.459 -3.418
324 H GLY 45 H GLY 45 -4.555 3.802 -3.003
325 HA2 GLY 45 2HA GLY 45 -4.641 3.893 -0.518
326 HA3 GLY 45 3HA GLY 45 -4.162 2.188 -0.522
327 H TRP 46 H TRP 46 -2.331 2.761 -2.854
328 HA TRP 46 HA TRP 46 0.059 2.523 -2.357
329 HB2 TRP 46 2HB TRP 46 -0.459 3.393 -4.490
330 HB3 TRP 46 3HB TRP 46 -0.938 4.946 -3.829
331 HD1 TRP 46 HD1 TRP 46 2.453 3.256 -3.078
332 HE1 TRP 46 HE1 TRP 46 4.312 4.912 -3.628
333 HE3 TRP 46 HE3 TRP 46 -0.373 6.935 -5.247
334 HZ2 TRP 46 HZ2 TRP 46 4.572 7.462 -4.986
335 HZ3 TRP 46 HZ3 TRP 46 0.714 8.961 -6.173
336 HH2 TRP 46 HH2 TRP 46 3.180 9.233 -6.051
337 H CYS 47 H CYS 47 1.261 2.673 -0.572
338 HA CYS 47 HA CYS 47 1.741 5.352 0.596
339 HB2 CYS 47 2HB CYS 47 2.435 4.369 2.521
340 HB3 CYS 47 3HB CYS 47 1.215 3.214 1.985
341 H ARG 48 H ARG 48 3.688 6.251 0.846
342 HA ARG 48 HA ARG 48 5.618 5.831 -1.314
343 HB2 ARG 48 2HB ARG 48 4.734 8.022 0.262
344 HB3 ARG 48 3HB ARG 48 6.395 7.784 0.752
345 HG2 ARG 48 2HG ARG 48 5.441 8.049 -2.129
346 HG3 ARG 48 3HG ARG 48 6.054 9.383 -1.147
347 HD2 ARG 48 2HD ARG 48 8.259 8.253 -0.976
348 HD3 ARG 48 3HD ARG 48 7.657 6.935 -2.011
349 HE ARG 48 HE ARG 48 7.063 9.195 -3.456
350 HH11 ARG 48 1HH1 ARG 48 10.249 8.261 -2.158
351 HH12 ARG 48 2HH1 ARG 48 11.020 9.061 -3.512
352 HH21 ARG 48 1HH2 ARG 48 8.135 10.292 -4.849
353 HH22 ARG 48 2HH2 ARG 48 9.897 10.322 -4.843
354 H LEU 49 H LEU 49 5.229 4.180 1.518
355 HA LEU 49 HA LEU 49 8.019 4.238 2.318
356 HB2 LEU 49 2HB LEU 49 6.151 4.164 3.919
357 HB3 LEU 49 3HB LEU 49 5.808 2.507 3.407
358 HG LEU 49 HG LEU 49 8.058 1.819 4.236
359 HD11 LEU 49 1HD1 LEU 49 9.358 3.391 5.666
360 HD12 LEU 49 2HD1 LEU 49 9.337 3.904 3.981
361 HD13 LEU 49 3HD1 LEU 49 8.294 4.724 5.162
362 HD21 LEU 49 1HD2 LEU 49 6.031 1.856 5.742
363 HD22 LEU 49 2HD2 LEU 49 7.576 2.027 6.600
364 HD23 LEU 49 3HD2 LEU 49 6.548 3.448 6.322
365 H TYR 50 H TYR 50 6.011 2.153 0.407
366 HA TYR 50 HA TYR 50 8.417 0.473 -0.204
367 HB2 TYR 50 2HB TYR 50 5.545 -0.454 0.153
368 HB3 TYR 50 3HB TYR 50 6.909 -1.472 -0.280
369 HD1 TYR 50 HD1 TYR 50 8.881 -1.696 1.388
370 HD2 TYR 50 HD2 TYR 50 5.076 0.058 2.418
371 HE1 TYR 50 HE1 TYR 50 9.430 -1.915 3.807
372 HE2 TYR 50 HE2 TYR 50 5.634 -0.178 4.834
373 HH TYR 50 HH TYR 50 7.237 -0.679 6.336
374 H ALA 51 H ALA 51 6.022 2.496 -1.623
375 HA ALA 51 HA ALA 51 6.888 1.554 -4.318
376 HB1 ALA 51 1HB ALA 51 4.126 1.747 -3.136
377 HB2 ALA 51 2HB ALA 51 4.356 2.177 -4.830
378 HB3 ALA 51 3HB ALA 51 4.809 0.560 -4.272
379 H GLY 52 H GLY 52 6.844 3.081 -5.999
380 HA2 GLY 52 2HA GLY 52 6.622 5.183 -7.006
381 HA3 GLY 52 3HA GLY 52 6.131 5.897 -5.475
382 H LYS 53 H LYS 53 8.944 4.010 -5.126
383 HA LYS 53 HA LYS 53 10.468 6.456 -4.458
384 HB2 LYS 53 2HB LYS 53 10.942 3.522 -3.827
385 HB3 LYS 53 3HB LYS 53 11.969 4.858 -3.292
386 HG2 LYS 53 2HG LYS 53 10.046 5.863 -2.069
387 HG3 LYS 53 3HG LYS 53 9.008 4.539 -2.603
388 HD2 LYS 53 2HD LYS 53 9.697 4.074 -0.350
389 HD3 LYS 53 3HD LYS 53 10.460 2.917 -1.436
390 HE2 LYS 53 2HE LYS 53 12.568 4.261 -1.350
391 HE3 LYS 53 3HE LYS 53 11.778 5.420 -0.267
392 HZ1 LYS 53 1HZ LYS 53 13.135 3.712 0.888
393 HZ2 LYS 53 2HZ LYS 53 11.589 3.718 1.391
394 HZ3 LYS 53 3HZ LYS 53 12.086 2.537 0.359
395 H ALA 54 H ALA 54 12.607 6.786 -5.023
396 HA ALA 54 HA ALA 54 14.096 7.327 -6.659
397 HB1 ALA 54 1HB ALA 54 14.415 4.315 -6.609
398 HB2 ALA 54 2HB ALA 54 15.623 5.484 -7.183
399 HB3 ALA 54 3HB ALA 54 15.130 5.470 -5.479
Start of MODEL 4
1 H1 VAL 1 1H VAL 1 13.445 -10.488 14.697
2 H2 VAL 1 2H VAL 1 13.982 -9.649 13.380
3 H3 VAL 1 3H VAL 1 12.511 -10.381 13.357
4 HA VAL 1 HA VAL 1 11.568 -8.968 14.898
5 HB VAL 1 HB VAL 1 13.436 -8.833 16.396
6 HG11 VAL 1 1HG1 VAL 1 15.245 -7.233 16.173
7 HG12 VAL 1 2HG1 VAL 1 15.308 -8.375 14.829
8 HG13 VAL 1 3HG1 VAL 1 14.678 -6.729 14.574
9 HG21 VAL 1 1HG2 VAL 1 11.551 -7.234 16.590
10 HG22 VAL 1 2HG2 VAL 1 13.075 -6.585 17.213
11 HG23 VAL 1 3HG2 VAL 1 12.474 -6.044 15.637
12 H THR 2 H THR 2 10.275 -7.513 13.932
13 HA THR 2 HA THR 2 11.417 -5.265 12.492
14 HB THR 2 HB THR 2 11.388 -6.771 10.614
15 HG1 THR 2 HG1 THR 2 9.998 -5.614 9.269
16 HG21 THR 2 1HG2 THR 2 9.703 -8.414 11.290
17 HG22 THR 2 2HG2 THR 2 8.422 -7.194 11.152
18 HG23 THR 2 3HG2 THR 2 9.306 -7.735 9.709
19 H LYS 3 H LYS 3 9.916 -3.588 12.090
20 HA LYS 3 HA LYS 3 7.176 -3.737 13.223
21 HB2 LYS 3 2HB LYS 3 8.581 -2.894 15.066
22 HB3 LYS 3 3HB LYS 3 9.319 -1.710 13.994
23 HG2 LYS 3 2HG LYS 3 7.761 -0.572 15.378
24 HG3 LYS 3 3HG LYS 3 7.118 -0.553 13.748
25 HD2 LYS 3 2HD LYS 3 5.573 -2.416 14.346
26 HD3 LYS 3 3HD LYS 3 6.244 -2.447 15.982
27 HE2 LYS 3 2HE LYS 3 4.862 -0.034 14.704
28 HE3 LYS 3 3HE LYS 3 4.063 -1.214 15.753
29 HZ1 LYS 3 1HZ LYS 3 6.307 0.555 16.585
30 HZ2 LYS 3 2HZ LYS 3 4.731 0.673 17.049
31 HZ3 LYS 3 3HZ LYS 3 5.643 -0.603 17.517
32 H LYS 4 H LYS 4 5.742 -2.694 11.901
33 HA LYS 4 HA LYS 4 6.577 -1.771 9.384
34 HB2 LYS 4 2HB LYS 4 4.337 -1.324 8.862
35 HB3 LYS 4 3HB LYS 4 4.371 -2.750 9.863
36 HG2 LYS 4 2HG LYS 4 3.812 -0.095 11.210
37 HG3 LYS 4 3HG LYS 4 2.604 -0.717 10.106
38 HD2 LYS 4 2HD LYS 4 3.583 -2.148 12.598
39 HD3 LYS 4 3HD LYS 4 2.055 -1.289 12.392
40 HE2 LYS 4 2HE LYS 4 1.488 -2.836 10.487
41 HE3 LYS 4 3HE LYS 4 2.931 -3.785 10.866
42 HZ1 LYS 4 1HZ LYS 4 1.031 -4.768 11.866
43 HZ2 LYS 4 2HZ LYS 4 1.954 -4.210 13.072
44 HZ3 LYS 4 3HZ LYS 4 0.588 -3.369 12.629
45 H ALA 5 H ALA 5 6.198 0.220 8.245
46 HA ALA 5 HA ALA 5 7.140 2.603 9.644
47 HB1 ALA 5 1HB ALA 5 6.928 3.633 7.401
48 HB2 ALA 5 2HB ALA 5 7.833 2.116 7.329
49 HB3 ALA 5 3HB ALA 5 6.139 2.167 6.790
50 H SER 6 H SER 6 6.009 4.606 9.828
51 HA SER 6 HA SER 6 3.169 4.721 10.220
52 HB2 SER 6 2HB SER 6 4.532 6.526 11.014
53 HB3 SER 6 3HB SER 6 5.247 6.782 9.417
54 HG SER 6 HG SER 6 3.660 8.339 9.700
55 H HIS 7 H HIS 7 1.532 4.629 8.767
56 HA HIS 7 HA HIS 7 2.033 4.323 5.918
57 HB2 HIS 7 2HB HIS 7 -0.454 4.205 5.819
58 HB3 HIS 7 3HB HIS 7 0.319 3.024 6.858
59 HD2 HIS 7 HD2 HIS 7 -1.989 2.669 8.176
60 HE1 HIS 7 HE1 HIS 7 -1.807 6.311 10.377
61 HE2 HIS 7 HE2 HIS 7 -2.941 4.027 10.205
62 H LYS 8 H LYS 8 1.398 7.027 7.950
63 HA LYS 8 HA LYS 8 0.803 8.916 5.771
64 HB2 LYS 8 2HB LYS 8 1.820 9.554 8.558
65 HB3 LYS 8 3HB LYS 8 1.039 10.647 7.427
66 HG2 LYS 8 2HG LYS 8 -0.234 8.376 8.989
67 HG3 LYS 8 3HG LYS 8 -0.482 10.106 9.186
68 HD2 LYS 8 2HD LYS 8 -1.489 10.176 6.862
69 HD3 LYS 8 3HD LYS 8 -1.330 8.416 6.796
70 HE2 LYS 8 2HE LYS 8 -3.566 8.829 7.416
71 HE3 LYS 8 3HE LYS 8 -2.759 8.261 8.881
72 HZ1 LYS 8 1HZ LYS 8 -2.759 10.488 9.736
73 HZ2 LYS 8 2HZ LYS 8 -3.171 11.139 8.263
74 HZ3 LYS 8 3HZ LYS 8 -4.244 10.259 9.126
75 H ASP 9 H ASP 9 3.743 7.749 7.387
76 HA ASP 9 HA ASP 9 5.519 9.479 5.845
77 HB2 ASP 9 2HB ASP 9 5.989 8.458 8.138
78 HB3 ASP 9 3HB ASP 9 6.305 6.936 7.295
79 H ALA 10 H ALA 10 3.757 6.648 5.137
80 HA ALA 10 HA ALA 10 5.292 6.095 2.666
81 HB1 ALA 10 1HB ALA 10 3.019 4.540 3.954
82 HB2 ALA 10 2HB ALA 10 4.013 4.013 2.596
83 HB3 ALA 10 3HB ALA 10 4.753 4.209 4.200
84 H GLY 11 H GLY 11 2.546 7.912 3.576
85 HA2 GLY 11 2HA GLY 11 1.237 9.291 2.288
86 HA3 GLY 11 3HA GLY 11 2.104 8.725 0.862
87 H TYR 12 H TYR 12 -0.154 7.018 3.146
88 HA TYR 12 HA TYR 12 -1.386 5.821 0.792
89 HB2 TYR 12 2HB TYR 12 -1.954 4.079 2.003
90 HB3 TYR 12 3HB TYR 12 -0.660 4.650 3.020
91 HD1 TYR 12 HD1 TYR 12 -1.523 6.420 4.929
92 HD2 TYR 12 HD2 TYR 12 -3.889 3.412 2.957
93 HE1 TYR 12 HE1 TYR 12 -3.022 6.304 6.922
94 HE2 TYR 12 HE2 TYR 12 -5.455 3.369 4.920
95 HH TYR 12 HH TYR 12 -5.972 4.322 6.967
96 H GLN 13 H GLN 13 -3.481 5.636 0.185
97 HA GLN 13 HA GLN 13 -5.595 7.370 1.227
98 HB2 GLN 13 2HB GLN 13 -5.867 8.678 -0.771
99 HB3 GLN 13 3HB GLN 13 -4.296 8.956 -0.053
100 HG2 GLN 13 2HG GLN 13 -3.227 7.490 -1.761
101 HG3 GLN 13 3HG GLN 13 -4.812 7.233 -2.498
102 HE21 GLN 13 1HE2 GLN 13 -6.011 9.557 -2.857
103 HE22 GLN 13 2HE2 GLN 13 -4.960 10.679 -3.728
104 H GLU 14 H GLU 14 -7.045 7.101 -1.517
105 HA GLU 14 HA GLU 14 -7.814 4.229 -1.186
106 HB2 GLU 14 2HB GLU 14 -9.239 6.531 -2.544
107 HB3 GLU 14 3HB GLU 14 -9.756 4.851 -2.643
108 HG2 GLU 14 2HG GLU 14 -9.906 4.774 -0.141
109 HG3 GLU 14 3HG GLU 14 -9.640 6.526 -0.125
110 H SER 15 H SER 15 -5.520 5.656 -2.840
111 HA SER 15 HA SER 15 -5.582 4.042 -5.306
112 HB2 SER 15 2HB SER 15 -5.233 6.062 -6.672
113 HB3 SER 15 3HB SER 15 -6.790 6.123 -5.832
114 HG SER 15 HG SER 15 -5.551 8.101 -5.743
115 HA PRO 16 HA PRO 16 -1.144 4.249 -4.536
116 HB2 PRO 16 2HB PRO 16 0.004 4.368 -7.024
117 HB3 PRO 16 3HB PRO 16 -0.670 2.872 -6.324
118 HG2 PRO 16 2HG PRO 16 -1.954 4.782 -8.292
119 HG3 PRO 16 3HG PRO 16 -1.962 2.996 -8.315
120 HD2 PRO 16 2HD PRO 16 -4.064 4.480 -7.386
121 HD3 PRO 16 3HD PRO 16 -3.657 2.889 -6.693
122 H ASN 17 H ASN 17 0.156 5.923 -3.988
123 HA ASN 17 HA ASN 17 -0.612 8.617 -4.932
124 HB2 ASN 17 2HB ASN 17 -0.557 8.032 -2.550
125 HB3 ASN 17 3HB ASN 17 1.158 7.703 -2.642
126 HD21 ASN 17 1HD2 ASN 17 -1.302 10.212 -2.923
127 HD22 ASN 17 2HD2 ASN 17 -0.272 11.475 -2.299
128 H GLY 18 H GLY 18 1.462 6.489 -6.236
129 HA2 GLY 18 2HA GLY 18 3.053 8.489 -7.641
130 HA3 GLY 18 3HA GLY 18 3.989 7.512 -6.513
131 H ALA 19 H ALA 19 5.191 6.750 -8.347
132 HA ALA 19 HA ALA 19 3.961 5.201 -10.468
133 HB1 ALA 19 1HB ALA 19 6.855 5.435 -9.533
134 HB2 ALA 19 2HB ALA 19 6.308 4.734 -11.073
135 HB3 ALA 19 3HB ALA 19 6.060 6.460 -10.750
136 H LYS 20 H LYS 20 5.144 4.370 -7.244
137 HA LYS 20 HA LYS 20 4.943 1.462 -7.768
138 HB2 LYS 20 2HB LYS 20 5.638 3.122 -5.310
139 HB3 LYS 20 3HB LYS 20 5.378 1.389 -5.213
140 HG2 LYS 20 2HG LYS 20 7.529 2.741 -6.901
141 HG3 LYS 20 3HG LYS 20 7.753 1.891 -5.362
142 HD2 LYS 20 2HD LYS 20 6.718 -0.155 -6.505
143 HD3 LYS 20 3HD LYS 20 6.932 0.710 -8.042
144 HE2 LYS 20 2HE LYS 20 9.372 0.850 -7.592
145 HE3 LYS 20 3HE LYS 20 9.131 -0.062 -6.088
146 HZ1 LYS 20 1HZ LYS 20 8.143 -1.866 -7.499
147 HZ2 LYS 20 2HZ LYS 20 8.556 -1.034 -8.843
148 HZ3 LYS 20 3HZ LYS 20 9.711 -1.623 -7.839
149 H ARG 21 H ARG 21 3.655 0.065 -6.491
150 HA ARG 21 HA ARG 21 1.235 1.083 -5.186
151 HB2 ARG 21 2HB ARG 21 -0.343 0.171 -6.639
152 HB3 ARG 21 3HB ARG 21 0.833 0.787 -7.775
153 HG2 ARG 21 2HG ARG 21 1.787 -1.587 -7.865
154 HG3 ARG 21 3HG ARG 21 0.390 -2.097 -6.880
155 HD2 ARG 21 2HD ARG 21 -1.162 -1.507 -8.601
156 HD3 ARG 21 3HD ARG 21 0.059 -0.601 -9.496
157 HE ARG 21 HE ARG 21 1.121 -2.611 -10.195
158 HH11 ARG 21 1HH1 ARG 21 -1.880 -3.567 -8.509
159 HH12 ARG 21 2HH1 ARG 21 -2.106 -4.838 -9.685
160 HH21 ARG 21 1HH2 ARG 21 0.821 -4.508 -11.254
161 HH22 ARG 21 2HH2 ARG 21 -0.689 -5.390 -11.025
162 H CYS 22 H CYS 22 0.124 -0.582 -3.948
163 HA CYS 22 HA CYS 22 1.225 -2.657 -2.652
164 HB2 CYS 22 2HB CYS 22 -1.533 -2.575 -3.973
165 HB3 CYS 22 3HB CYS 22 -1.096 -3.357 -2.466
166 H GLY 23 H GLY 23 2.535 -4.251 -3.519
167 HA2 GLY 23 2HA GLY 23 2.591 -6.467 -4.524
168 HA3 GLY 23 3HA GLY 23 1.516 -5.926 -5.802
169 H THR 24 H THR 24 3.514 -3.374 -5.705
170 HA THR 24 HA THR 24 6.040 -4.770 -6.225
171 HB THR 24 HB THR 24 5.279 -4.352 -8.477
172 HG1 THR 24 HG1 THR 24 7.461 -4.297 -8.003
173 HG21 THR 24 1HG2 THR 24 3.921 -2.381 -8.300
174 HG22 THR 24 2HG2 THR 24 5.283 -1.408 -7.721
175 HG23 THR 24 3HG2 THR 24 5.271 -2.030 -9.383
176 H CYS 25 H CYS 25 4.428 -2.636 -4.381
177 HA CYS 25 HA CYS 25 6.756 -1.367 -3.186
178 HB2 CYS 25 2HB CYS 25 5.267 -0.782 -1.520
179 HB3 CYS 25 3HB CYS 25 4.076 -1.108 -2.739
180 H ARG 26 H ARG 26 7.576 -2.312 -1.023
181 HA ARG 26 HA ARG 26 8.448 -5.068 -1.594
182 HB2 ARG 26 2HB ARG 26 9.330 -3.214 0.632
183 HB3 ARG 26 3HB ARG 26 10.099 -4.714 0.157
184 HG2 ARG 26 2HG ARG 26 9.949 -2.368 -1.766
185 HG3 ARG 26 3HG ARG 26 11.205 -2.534 -0.545
186 HD2 ARG 26 2HD ARG 26 12.078 -3.361 -2.603
187 HD3 ARG 26 3HD ARG 26 11.896 -4.700 -1.474
188 HE ARG 26 HE ARG 26 10.200 -5.637 -2.809
189 HH11 ARG 26 1HH1 ARG 26 11.149 -2.558 -4.333
190 HH12 ARG 26 2HH1 ARG 26 10.401 -3.097 -5.816
191 HH21 ARG 26 1HH2 ARG 26 9.109 -5.979 -4.525
192 HH22 ARG 26 2HH2 ARG 26 9.124 -4.891 -5.908
193 H GLN 27 H GLN 27 5.755 -4.055 0.126
194 HA GLN 27 HA GLN 27 5.922 -6.489 1.808
195 HB2 GLN 27 2HB GLN 27 6.792 -4.183 2.901
196 HB3 GLN 27 3HB GLN 27 5.079 -4.014 3.251
197 HG2 GLN 27 2HG GLN 27 5.975 -5.140 5.135
198 HG3 GLN 27 3HG GLN 27 5.199 -6.412 4.203
199 HE21 GLN 27 1HE2 GLN 27 8.508 -4.823 4.196
200 HE22 GLN 27 2HE2 GLN 27 9.332 -6.376 4.381
201 H PHE 28 H PHE 28 4.173 -5.711 -0.476
202 HA PHE 28 HA PHE 28 1.465 -5.553 0.502
203 HB2 PHE 28 2HB PHE 28 1.952 -5.026 -1.756
204 HB3 PHE 28 3HB PHE 28 2.718 -6.586 -2.056
205 HD1 PHE 28 HD1 PHE 28 -0.596 -5.153 -0.992
206 HD2 PHE 28 HD2 PHE 28 1.455 -8.303 -3.099
207 HE1 PHE 28 HE1 PHE 28 -2.776 -6.080 -1.724
208 HE2 PHE 28 HE2 PHE 28 -0.724 -9.227 -3.838
209 HZ PHE 28 HZ PHE 28 -2.845 -8.119 -3.157
210 H ARG 29 H ARG 29 -0.092 -7.183 0.804
211 HA ARG 29 HA ARG 29 0.969 -9.929 1.423
212 HB2 ARG 29 2HB ARG 29 -0.715 -8.031 3.076
213 HB3 ARG 29 3HB ARG 29 -0.624 -9.725 3.420
214 HG2 ARG 29 2HG ARG 29 1.733 -7.803 3.407
215 HG3 ARG 29 3HG ARG 29 0.847 -8.371 4.813
216 HD2 ARG 29 2HD ARG 29 2.463 -9.857 5.001
217 HD3 ARG 29 3HD ARG 29 1.559 -10.785 3.812
218 HE ARG 29 HE ARG 29 3.194 -9.312 2.201
219 HH11 ARG 29 1HH1 ARG 29 4.057 -11.173 5.108
220 HH12 ARG 29 2HH1 ARG 29 5.550 -11.704 4.363
221 HH21 ARG 29 1HH2 ARG 29 5.312 -9.783 1.562
222 HH22 ARG 29 2HH2 ARG 29 6.261 -10.877 2.521
223 HA PRO 30 HA PRO 30 -2.584 -10.482 -1.355
224 HB2 PRO 30 2HB PRO 30 -2.241 -13.168 -1.925
225 HB3 PRO 30 3HB PRO 30 -1.358 -11.835 -2.728
226 HG2 PRO 30 2HG PRO 30 -0.453 -13.541 -0.387
227 HG3 PRO 30 3HG PRO 30 0.462 -13.125 -1.873
228 HD2 PRO 30 2HD PRO 30 0.818 -11.775 0.442
229 HD3 PRO 30 3HD PRO 30 0.842 -10.910 -1.126
230 HA PRO 31 HA PRO 31 -4.303 -11.986 -2.341
231 HB2 PRO 31 2HB PRO 31 -7.140 -11.722 -1.396
232 HB3 PRO 31 3HB PRO 31 -6.474 -12.684 -2.753
233 HG2 PRO 31 2HG PRO 31 -7.149 -13.913 -0.458
234 HG3 PRO 31 3HG PRO 31 -5.586 -14.324 -1.239
235 HD2 PRO 31 2HD PRO 31 -6.084 -12.349 1.021
236 HD3 PRO 31 3HD PRO 31 -4.908 -13.695 0.963
237 H SER 32 H SER 32 -5.487 -9.739 0.181
238 HA SER 32 HA SER 32 -5.088 -7.436 -1.603
239 HB2 SER 32 2HB SER 32 -7.484 -8.505 -1.889
240 HB3 SER 32 3HB SER 32 -7.841 -7.668 -0.376
241 HG SER 32 HG SER 32 -7.194 -5.717 -1.396
242 H SER 33 H SER 33 -3.728 -8.143 0.780
243 HA SER 33 HA SER 33 -4.580 -6.072 2.762
244 HB2 SER 33 2HB SER 33 -3.367 -8.824 3.205
245 HB3 SER 33 3HB SER 33 -3.422 -7.564 4.444
246 HG SER 33 HG SER 33 -5.609 -8.790 3.117
247 H CYS 34 H CYS 34 -2.678 -5.541 4.255
248 HA CYS 34 HA CYS 34 -0.078 -5.226 2.801
249 HB2 CYS 34 2HB CYS 34 -1.432 -3.270 2.381
250 HB3 CYS 34 3HB CYS 34 -1.809 -3.072 4.083
251 H ILE 35 H ILE 35 1.516 -4.181 4.462
252 HA ILE 35 HA ILE 35 1.040 -5.216 7.249
253 HB ILE 35 HB ILE 35 3.781 -4.848 6.005
254 HG12 ILE 35 2HG1 ILE 35 2.097 -7.309 6.580
255 HG13 ILE 35 3HG1 ILE 35 2.903 -6.828 5.084
256 HG21 ILE 35 1HG2 ILE 35 3.727 -4.289 8.416
257 HG22 ILE 35 2HG2 ILE 35 2.961 -5.853 8.771
258 HG23 ILE 35 3HG2 ILE 35 4.624 -5.756 8.152
259 HD11 ILE 35 1HD1 ILE 35 5.129 -7.234 6.355
260 HD12 ILE 35 2HD1 ILE 35 4.122 -8.060 7.559
261 HD13 ILE 35 3HD1 ILE 35 4.167 -8.642 5.889
262 H THR 36 H THR 36 2.124 -2.501 5.201
263 HA THR 36 HA THR 36 2.697 -0.685 7.366
264 HB THR 36 HB THR 36 1.751 0.174 4.623
265 HG1 THR 36 HG1 THR 36 3.289 -0.724 3.704
266 HG21 THR 36 1HG2 THR 36 2.408 1.908 6.292
267 HG22 THR 36 2HG2 THR 36 4.001 1.139 6.442
268 HG23 THR 36 3HG2 THR 36 3.505 1.871 4.898
269 H VAL 37 H VAL 37 -0.150 -1.374 5.384
270 HA VAL 37 HA VAL 37 -1.879 0.434 7.022
271 HB VAL 37 HB VAL 37 -2.185 -0.516 4.145
272 HG11 VAL 37 1HG1 VAL 37 -3.827 1.418 5.832
273 HG12 VAL 37 2HG1 VAL 37 -3.942 1.290 4.074
274 HG13 VAL 37 3HG1 VAL 37 -4.383 -0.087 5.063
275 HG21 VAL 37 1HG2 VAL 37 -0.354 1.152 4.366
276 HG22 VAL 37 2HG2 VAL 37 -1.738 1.821 3.523
277 HG23 VAL 37 3HG2 VAL 37 -1.475 2.239 5.228
278 H GLU 38 H GLU 38 -3.949 -0.261 7.643
279 HA GLU 38 HA GLU 38 -4.231 -3.111 8.171
280 HB2 GLU 38 2HB GLU 38 -4.803 -1.242 9.717
281 HB3 GLU 38 3HB GLU 38 -6.157 -0.842 8.645
282 HG2 GLU 38 2HG GLU 38 -7.170 -3.057 9.097
283 HG3 GLU 38 3HG GLU 38 -5.747 -3.542 10.028
284 H SER 39 H SER 39 -5.867 -4.470 7.498
285 HA SER 39 HA SER 39 -6.579 -4.225 4.714
286 HB2 SER 39 2HB SER 39 -7.435 -6.548 5.033
287 HB3 SER 39 3HB SER 39 -5.767 -6.326 5.582
288 HG SER 39 HG SER 39 -6.375 -6.467 7.632
289 HA PRO 40 HA PRO 40 -8.010 -5.291 3.267
290 HB2 PRO 40 2HB PRO 40 -9.911 -4.708 1.447
291 HB3 PRO 40 3HB PRO 40 -10.129 -5.993 2.675
292 HG2 PRO 40 2HG PRO 40 -11.131 -3.133 2.786
293 HG3 PRO 40 3HG PRO 40 -12.063 -4.634 3.077
294 HD2 PRO 40 2HD PRO 40 -10.972 -3.160 5.116
295 HD3 PRO 40 3HD PRO 40 -11.084 -4.941 5.195
296 H ILE 41 H ILE 41 -7.024 -4.454 1.399
297 HA ILE 41 HA ILE 41 -7.050 -1.502 0.990
298 HB ILE 41 HB ILE 41 -4.761 -1.430 0.507
299 HG12 ILE 41 2HG1 ILE 41 -4.009 -4.170 1.412
300 HG13 ILE 41 3HG1 ILE 41 -4.695 -4.071 -0.198
301 HG21 ILE 41 1HG2 ILE 41 -5.414 -1.247 2.914
302 HG22 ILE 41 2HG2 ILE 41 -4.972 -2.938 3.150
303 HG23 ILE 41 3HG2 ILE 41 -3.739 -1.754 2.671
304 HD11 ILE 41 1HD1 ILE 41 -2.394 -2.303 0.680
305 HD12 ILE 41 2HD1 ILE 41 -2.222 -3.853 -0.172
306 HD13 ILE 41 3HD1 ILE 41 -3.073 -2.503 -0.945
307 H SER 42 H SER 42 -6.290 -0.902 -1.257
308 HA SER 42 HA SER 42 -7.527 -2.685 -3.273
309 HB2 SER 42 2HB SER 42 -7.910 -0.251 -3.342
310 HB3 SER 42 3HB SER 42 -6.167 -0.001 -3.547
311 HG SER 42 HG SER 42 -7.169 0.083 -5.486
312 H GLU 43 H GLU 43 -6.370 -4.224 -4.309
313 HA GLU 43 HA GLU 43 -3.470 -4.287 -4.249
314 HB2 GLU 43 2HB GLU 43 -3.646 -6.341 -5.405
315 HB3 GLU 43 3HB GLU 43 -4.923 -6.291 -4.192
316 HG2 GLU 43 2HG GLU 43 -6.514 -5.464 -6.006
317 HG3 GLU 43 3HG GLU 43 -5.258 -5.831 -7.189
318 H ASN 44 H ASN 44 -5.593 -2.543 -6.280
319 HA ASN 44 HA ASN 44 -3.565 -2.202 -8.387
320 HB2 ASN 44 2HB ASN 44 -6.043 -2.183 -8.873
321 HB3 ASN 44 3HB ASN 44 -6.175 -0.701 -7.929
322 HD21 ASN 44 1HD2 ASN 44 -6.565 0.921 -9.406
323 HD22 ASN 44 2HD2 ASN 44 -5.771 1.028 -10.974
324 H GLY 45 H GLY 45 -3.748 -1.117 -5.239
325 HA2 GLY 45 2HA GLY 45 -1.662 0.072 -4.683
326 HA3 GLY 45 3HA GLY 45 -2.064 1.269 -5.912
327 H TRP 46 H TRP 46 -1.656 1.184 -2.942
328 HA TRP 46 HA TRP 46 -3.978 2.862 -2.109
329 HB2 TRP 46 2HB TRP 46 -3.837 0.292 -1.630
330 HB3 TRP 46 3HB TRP 46 -2.590 0.721 -0.487
331 HD1 TRP 46 HD1 TRP 46 -3.424 0.998 1.819
332 HE1 TRP 46 HE1 TRP 46 -5.705 1.094 2.964
333 HE3 TRP 46 HE3 TRP 46 -6.331 1.760 -2.301
334 HZ2 TRP 46 HZ2 TRP 46 -8.508 1.284 2.144
335 HZ3 TRP 46 HZ3 TRP 46 -8.820 1.791 -2.116
336 HH2 TRP 46 HH2 TRP 46 -9.908 1.574 0.108
337 H CYS 47 H CYS 47 -0.443 2.267 -1.699
338 HA CYS 47 HA CYS 47 -0.286 5.074 -0.771
339 HB2 CYS 47 2HB CYS 47 0.991 4.680 1.063
340 HB3 CYS 47 3HB CYS 47 -0.008 3.239 1.101
341 H ARG 48 H ARG 48 2.640 4.845 -0.554
342 HA ARG 48 HA ARG 48 3.533 4.212 -3.286
343 HB2 ARG 48 2HB ARG 48 4.609 6.386 -3.699
344 HB3 ARG 48 3HB ARG 48 2.868 6.449 -3.650
345 HG2 ARG 48 2HG ARG 48 3.618 8.397 -2.590
346 HG3 ARG 48 3HG ARG 48 2.981 7.382 -1.316
347 HD2 ARG 48 2HD ARG 48 4.922 8.480 -0.513
348 HD3 ARG 48 3HD ARG 48 5.328 6.774 -0.682
349 HE ARG 48 HE ARG 48 6.074 8.102 -3.098
350 HH11 ARG 48 1HH1 ARG 48 7.046 8.309 0.275
351 HH12 ARG 48 2HH1 ARG 48 8.749 8.363 -0.130
352 HH21 ARG 48 1HH2 ARG 48 8.229 8.724 -3.500
353 HH22 ARG 48 2HH2 ARG 48 9.325 8.869 -2.156
354 H LEU 49 H LEU 49 4.063 3.464 -0.309
355 HA LEU 49 HA LEU 49 6.944 3.074 -0.737
356 HB2 LEU 49 2HB LEU 49 6.176 5.210 0.827
357 HB3 LEU 49 3HB LEU 49 6.363 3.963 2.047
358 HG LEU 49 HG LEU 49 8.445 4.860 0.000
359 HD11 LEU 49 1HD1 LEU 49 9.583 5.838 1.936
360 HD12 LEU 49 2HD1 LEU 49 7.955 6.506 1.789
361 HD13 LEU 49 3HD1 LEU 49 8.294 5.270 3.020
362 HD21 LEU 49 1HD2 LEU 49 8.840 2.489 0.618
363 HD22 LEU 49 2HD2 LEU 49 10.079 3.547 1.276
364 HD23 LEU 49 3HD2 LEU 49 8.810 2.936 2.346
365 H TYR 50 H TYR 50 7.150 2.007 2.089
366 HA TYR 50 HA TYR 50 5.262 -0.158 2.345
367 HB2 TYR 50 2HB TYR 50 7.122 -1.928 1.873
368 HB3 TYR 50 3HB TYR 50 6.231 -1.249 0.539
369 HD1 TYR 50 HD1 TYR 50 9.469 -0.972 2.406
370 HD2 TYR 50 HD2 TYR 50 7.308 -0.015 -1.201
371 HE1 TYR 50 HE1 TYR 50 11.572 -0.150 1.364
372 HE2 TYR 50 HE2 TYR 50 9.438 0.760 -2.265
373 HH TYR 50 HH TYR 50 12.510 0.802 -0.422
374 H ALA 51 H ALA 51 5.706 -1.521 4.152
375 HA ALA 51 HA ALA 51 7.549 -0.566 6.134
376 HB1 ALA 51 1HB ALA 51 5.965 -3.136 5.903
377 HB2 ALA 51 2HB ALA 51 6.949 -2.705 7.316
378 HB3 ALA 51 3HB ALA 51 5.553 -1.699 6.843
379 H GLY 52 H GLY 52 9.595 -1.316 6.669
380 HA2 GLY 52 2HA GLY 52 11.234 -1.569 4.481
381 HA3 GLY 52 3HA GLY 52 11.764 -1.782 6.139
382 H LYS 53 H LYS 53 12.498 -2.990 3.527
383 HA LYS 53 HA LYS 53 12.230 -5.919 4.109
384 HB2 LYS 53 2HB LYS 53 11.043 -5.158 2.110
385 HB3 LYS 53 3HB LYS 53 12.510 -4.416 1.478
386 HG2 LYS 53 2HG LYS 53 12.116 -6.456 0.304
387 HG3 LYS 53 3HG LYS 53 13.556 -6.688 1.302
388 HD2 LYS 53 2HD LYS 53 12.271 -7.996 2.925
389 HD3 LYS 53 3HD LYS 53 10.755 -7.563 2.113
390 HE2 LYS 53 2HE LYS 53 11.120 -9.731 1.399
391 HE3 LYS 53 3HE LYS 53 11.671 -8.756 0.036
392 HZ1 LYS 53 1HZ LYS 53 13.423 -9.943 2.119
393 HZ2 LYS 53 2HZ LYS 53 13.151 -10.611 0.675
394 HZ3 LYS 53 3HZ LYS 53 13.956 -9.161 0.740
395 H ALA 54 H ALA 54 13.981 -6.207 5.339
396 HA ALA 54 HA ALA 54 16.107 -6.324 6.087
397 HB1 ALA 54 1HB ALA 54 16.500 -7.280 3.232
398 HB2 ALA 54 2HB ALA 54 17.568 -7.624 4.610
399 HB3 ALA 54 3HB ALA 54 15.901 -8.224 4.607
Start of MODEL 5
1 H1 VAL 1 1H VAL 1 12.840 -3.472 8.038
2 H2 VAL 1 2H VAL 1 14.254 -3.955 7.370
3 H3 VAL 1 3H VAL 1 13.611 -4.817 8.603
4 HA VAL 1 HA VAL 1 12.412 -4.457 5.954
5 HB VAL 1 HB VAL 1 14.290 -5.767 5.614
6 HG11 VAL 1 1HG1 VAL 1 13.438 -7.666 7.822
7 HG12 VAL 1 2HG1 VAL 1 14.797 -7.882 6.706
8 HG13 VAL 1 3HG1 VAL 1 14.845 -6.567 7.857
9 HG21 VAL 1 1HG2 VAL 1 11.950 -7.708 5.737
10 HG22 VAL 1 2HG2 VAL 1 12.247 -6.529 4.440
11 HG23 VAL 1 3HG2 VAL 1 13.400 -7.829 4.725
12 H THR 2 H THR 2 11.939 -6.074 9.165
13 HA THR 2 HA THR 2 9.152 -6.701 8.343
14 HB THR 2 HB THR 2 9.074 -7.975 10.468
15 HG1 THR 2 HG1 THR 2 11.264 -8.317 11.365
16 HG21 THR 2 1HG2 THR 2 9.796 -9.080 8.363
17 HG22 THR 2 2HG2 THR 2 11.488 -8.695 8.754
18 HG23 THR 2 3HG2 THR 2 10.551 -9.781 9.803
19 H LYS 3 H LYS 3 10.561 -3.998 9.755
20 HA LYS 3 HA LYS 3 8.277 -3.408 11.554
21 HB2 LYS 3 2HB LYS 3 10.590 -1.627 10.684
22 HB3 LYS 3 3HB LYS 3 9.376 -1.231 11.890
23 HG2 LYS 3 2HG LYS 3 11.504 -3.402 12.107
24 HG3 LYS 3 3HG LYS 3 11.447 -1.853 12.947
25 HD2 LYS 3 2HD LYS 3 9.212 -2.641 13.952
26 HD3 LYS 3 3HD LYS 3 9.647 -4.264 13.370
27 HE2 LYS 3 2HE LYS 3 11.822 -4.054 14.625
28 HE3 LYS 3 3HE LYS 3 11.280 -2.483 15.234
29 HZ1 LYS 3 1HZ LYS 3 9.336 -3.714 16.223
30 HZ2 LYS 3 2HZ LYS 3 10.063 -5.121 15.813
31 HZ3 LYS 3 3HZ LYS 3 10.806 -4.100 16.872
32 H LYS 4 H LYS 4 6.595 -2.073 11.096
33 HA LYS 4 HA LYS 4 6.476 -0.663 8.480
34 HB2 LYS 4 2HB LYS 4 4.311 -1.578 7.933
35 HB3 LYS 4 3HB LYS 4 5.529 -2.827 7.957
36 HG2 LYS 4 2HG LYS 4 3.677 -2.337 10.333
37 HG3 LYS 4 3HG LYS 4 3.167 -3.284 8.950
38 HD2 LYS 4 2HD LYS 4 5.579 -4.004 10.672
39 HD3 LYS 4 3HD LYS 4 3.963 -4.648 10.865
40 HE2 LYS 4 2HE LYS 4 4.031 -5.537 8.540
41 HE3 LYS 4 3HE LYS 4 5.672 -4.910 8.360
42 HZ1 LYS 4 1HZ LYS 4 6.293 -6.334 10.271
43 HZ2 LYS 4 2HZ LYS 4 4.791 -7.006 10.255
44 HZ3 LYS 4 3HZ LYS 4 5.814 -7.199 8.970
45 H ALA 5 H ALA 5 4.857 0.883 8.259
46 HA ALA 5 HA ALA 5 3.836 2.126 10.766
47 HB1 ALA 5 1HB ALA 5 3.515 4.091 9.243
48 HB2 ALA 5 2HB ALA 5 5.201 3.530 9.295
49 HB3 ALA 5 3HB ALA 5 4.171 3.120 7.906
50 H SER 6 H SER 6 1.551 2.908 10.759
51 HA SER 6 HA SER 6 -0.286 0.981 9.543
52 HB2 SER 6 2HB SER 6 -1.980 1.922 10.711
53 HB3 SER 6 3HB SER 6 -0.619 2.235 11.794
54 HG SER 6 HG SER 6 -0.769 4.372 11.353
55 H HIS 7 H HIS 7 -1.959 1.407 7.962
56 HA HIS 7 HA HIS 7 -1.199 2.757 5.669
57 HB2 HIS 7 2HB HIS 7 -3.434 2.443 4.877
58 HB3 HIS 7 3HB HIS 7 -3.007 1.056 5.876
59 HD2 HIS 7 HD2 HIS 7 -4.228 0.914 8.345
60 HE1 HIS 7 HE1 HIS 7 -7.404 3.569 7.349
61 HE2 HIS 7 HE2 HIS 7 -6.607 1.864 9.033
62 H LYS 8 H LYS 8 -2.635 4.235 8.400
63 HA LYS 8 HA LYS 8 -3.267 6.828 7.113
64 HB2 LYS 8 2HB LYS 8 -3.133 6.088 10.071
65 HB3 LYS 8 3HB LYS 8 -3.769 7.585 9.413
66 HG2 LYS 8 2HG LYS 8 -4.932 4.799 8.998
67 HG3 LYS 8 3HG LYS 8 -5.540 6.007 10.114
68 HD2 LYS 8 2HD LYS 8 -5.499 6.337 7.079
69 HD3 LYS 8 3HD LYS 8 -6.885 5.805 8.036
70 HE2 LYS 8 2HE LYS 8 -6.910 7.915 9.285
71 HE3 LYS 8 3HE LYS 8 -5.501 8.493 8.381
72 HZ1 LYS 8 1HZ LYS 8 -6.782 8.406 6.368
73 HZ2 LYS 8 2HZ LYS 8 -8.105 7.785 7.140
74 HZ3 LYS 8 3HZ LYS 8 -7.599 9.324 7.445
75 H ASP 9 H ASP 9 -0.769 5.583 9.328
76 HA ASP 9 HA ASP 9 0.758 8.053 9.444
77 HB2 ASP 9 2HB ASP 9 1.477 5.154 10.063
78 HB3 ASP 9 3HB ASP 9 2.530 6.533 10.391
79 H ALA 10 H ALA 10 0.836 5.220 7.353
80 HA ALA 10 HA ALA 10 3.057 6.198 5.719
81 HB1 ALA 10 1HB ALA 10 1.204 3.796 5.394
82 HB2 ALA 10 2HB ALA 10 2.722 4.080 4.522
83 HB3 ALA 10 3HB ALA 10 2.747 3.780 6.267
84 H GLY 11 H GLY 11 -0.142 7.164 5.862
85 HA2 GLY 11 2HA GLY 11 -1.501 8.276 4.440
86 HA3 GLY 11 3HA GLY 11 -0.007 8.832 3.666
87 H TYR 12 H TYR 12 -1.936 5.771 3.744
88 HA TYR 12 HA TYR 12 -1.420 5.079 1.051
89 HB2 TYR 12 2HB TYR 12 -2.744 3.309 1.334
90 HB3 TYR 12 3HB TYR 12 -2.446 3.675 3.018
91 HD1 TYR 12 HD1 TYR 12 -4.315 5.309 4.137
92 HD2 TYR 12 HD2 TYR 12 -4.902 2.938 0.582
93 HE1 TYR 12 HE1 TYR 12 -6.776 5.443 4.453
94 HE2 TYR 12 HE2 TYR 12 -7.365 3.039 0.926
95 HH TYR 12 HH TYR 12 -9.045 3.744 2.260
96 H GLN 13 H GLN 13 -2.514 5.269 -0.851
97 HA GLN 13 HA GLN 13 -4.272 7.667 -1.084
98 HB2 GLN 13 2HB GLN 13 -2.485 6.249 -3.105
99 HB3 GLN 13 3HB GLN 13 -3.403 7.723 -3.403
100 HG2 GLN 13 2HG GLN 13 -1.106 7.448 -1.420
101 HG3 GLN 13 3HG GLN 13 -1.037 8.205 -3.006
102 HE21 GLN 13 1HE2 GLN 13 -1.646 8.803 0.321
103 HE22 GLN 13 2HE2 GLN 13 -2.449 10.358 0.124
104 H GLU 14 H GLU 14 -5.443 7.414 -3.400
105 HA GLU 14 HA GLU 14 -6.638 4.694 -3.711
106 HB2 GLU 14 2HB GLU 14 -8.595 5.764 -4.770
107 HB3 GLU 14 3HB GLU 14 -8.410 6.225 -3.077
108 HG2 GLU 14 2HG GLU 14 -7.438 8.367 -3.702
109 HG3 GLU 14 3HG GLU 14 -7.466 7.926 -5.415
110 H SER 15 H SER 15 -4.121 6.151 -4.695
111 HA SER 15 HA SER 15 -4.666 6.561 -7.610
112 HB2 SER 15 2HB SER 15 -3.245 8.431 -5.668
113 HB3 SER 15 3HB SER 15 -3.507 8.708 -7.390
114 HG SER 15 HG SER 15 -5.805 8.532 -6.893
115 HA PRO 16 HA PRO 16 -0.797 4.091 -7.283
116 HB2 PRO 16 2HB PRO 16 -1.648 3.619 -10.142
117 HB3 PRO 16 3HB PRO 16 -0.882 2.481 -8.990
118 HG2 PRO 16 2HG PRO 16 -3.547 2.355 -9.413
119 HG3 PRO 16 3HG PRO 16 -2.927 2.293 -7.727
120 HD2 PRO 16 2HD PRO 16 -4.034 4.683 -9.237
121 HD3 PRO 16 3HD PRO 16 -4.415 4.121 -7.579
122 H ASN 17 H ASN 17 1.255 4.325 -8.189
123 HA ASN 17 HA ASN 17 1.776 6.960 -9.470
124 HB2 ASN 17 2HB ASN 17 2.556 6.423 -7.108
125 HB3 ASN 17 3HB ASN 17 3.577 5.173 -7.792
126 HD21 ASN 17 1HD2 ASN 17 4.924 6.884 -6.359
127 HD22 ASN 17 2HD2 ASN 17 5.847 7.963 -7.415
128 H GLY 18 H GLY 18 3.613 7.068 -10.992
129 HA2 GLY 18 2HA GLY 18 3.519 5.255 -13.169
130 HA3 GLY 18 3HA GLY 18 4.798 6.435 -12.854
131 H ALA 19 H ALA 19 4.250 3.265 -13.321
132 HA ALA 19 HA ALA 19 5.167 1.300 -12.883
133 HB1 ALA 19 1HB ALA 19 7.723 2.817 -12.296
134 HB2 ALA 19 2HB ALA 19 7.562 1.148 -12.885
135 HB3 ALA 19 3HB ALA 19 7.068 2.500 -13.913
136 H LYS 20 H LYS 20 4.091 2.777 -10.303
137 HA LYS 20 HA LYS 20 4.427 0.331 -8.904
138 HB2 LYS 20 2HB LYS 20 5.198 0.999 -6.738
139 HB3 LYS 20 3HB LYS 20 6.424 1.175 -7.957
140 HG2 LYS 20 2HG LYS 20 4.820 3.456 -6.739
141 HG3 LYS 20 3HG LYS 20 6.403 2.926 -6.195
142 HD2 LYS 20 2HD LYS 20 5.737 4.263 -8.820
143 HD3 LYS 20 3HD LYS 20 6.650 4.925 -7.474
144 HE2 LYS 20 2HE LYS 20 8.441 3.228 -7.825
145 HE3 LYS 20 3HE LYS 20 7.534 2.567 -9.191
146 HZ1 LYS 20 1HZ LYS 20 9.179 4.074 -10.032
147 HZ2 LYS 20 2HZ LYS 20 7.712 4.780 -10.250
148 HZ3 LYS 20 3HZ LYS 20 8.708 5.287 -9.028
149 H ARG 21 H ARG 21 2.884 -0.300 -7.741
150 HA ARG 21 HA ARG 21 0.829 1.393 -6.425
151 HB2 ARG 21 2HB ARG 21 -0.971 0.263 -7.411
152 HB3 ARG 21 3HB ARG 21 0.123 0.373 -8.781
153 HG2 ARG 21 2HG ARG 21 0.941 -1.986 -8.137
154 HG3 ARG 21 3HG ARG 21 -0.419 -2.037 -7.013
155 HD2 ARG 21 2HD ARG 21 -1.989 -1.717 -8.907
156 HD3 ARG 21 3HD ARG 21 -0.610 -1.742 -10.020
157 HE ARG 21 HE ARG 21 -0.905 -4.026 -8.139
158 HH11 ARG 21 1HH1 ARG 21 -1.202 -3.097 -11.536
159 HH12 ARG 21 2HH1 ARG 21 -1.369 -4.776 -12.003
160 HH21 ARG 21 1HH2 ARG 21 -1.034 -5.994 -8.810
161 HH22 ARG 21 2HH2 ARG 21 -1.309 -6.401 -10.498
162 H CYS 22 H CYS 22 -0.517 -0.322 -4.927
163 HA CYS 22 HA CYS 22 1.282 -1.435 -3.058
164 HB2 CYS 22 2HB CYS 22 -1.623 -2.083 -3.722
165 HB3 CYS 22 3HB CYS 22 -0.751 -2.784 -2.343
166 H GLY 23 H GLY 23 2.737 -2.969 -3.274
167 HA2 GLY 23 2HA GLY 23 3.348 -5.264 -3.501
168 HA3 GLY 23 3HA GLY 23 2.179 -5.474 -4.796
169 H THR 24 H THR 24 3.050 -3.139 -6.382
170 HA THR 24 HA THR 24 5.783 -3.933 -7.240
171 HB THR 24 HB THR 24 5.470 -2.094 -8.957
172 HG1 THR 24 HG1 THR 24 3.064 -1.931 -9.335
173 HG21 THR 24 1HG2 THR 24 5.233 -4.496 -9.490
174 HG22 THR 24 2HG2 THR 24 3.525 -4.446 -9.003
175 HG23 THR 24 3HG2 THR 24 4.088 -3.511 -10.408
176 H CYS 25 H CYS 25 4.322 -1.834 -5.011
177 HA CYS 25 HA CYS 25 6.381 0.054 -4.486
178 HB2 CYS 25 2HB CYS 25 5.340 0.081 -2.268
179 HB3 CYS 25 3HB CYS 25 4.082 -0.017 -3.485
180 H ARG 26 H ARG 26 5.875 -2.970 -2.735
181 HA ARG 26 HA ARG 26 8.379 -4.127 -3.533
182 HB2 ARG 26 2HB ARG 26 8.817 -2.480 -1.397
183 HB3 ARG 26 3HB ARG 26 8.360 -3.916 -0.528
184 HG2 ARG 26 2HG ARG 26 10.322 -4.543 -2.668
185 HG3 ARG 26 3HG ARG 26 10.868 -3.227 -1.647
186 HD2 ARG 26 2HD ARG 26 11.752 -5.036 -0.555
187 HD3 ARG 26 3HD ARG 26 10.287 -4.739 0.364
188 HE ARG 26 HE ARG 26 9.239 -6.664 -0.709
189 HH11 ARG 26 1HH1 ARG 26 12.691 -6.545 -1.462
190 HH12 ARG 26 2HH1 ARG 26 12.765 -8.287 -1.598
191 HH21 ARG 26 1HH2 ARG 26 9.475 -8.771 -0.750
192 HH22 ARG 26 2HH2 ARG 26 11.026 -9.510 -1.060
193 H GLN 27 H GLN 27 5.524 -4.385 -1.387
194 HA GLN 27 HA GLN 27 5.785 -7.358 -1.611
195 HB2 GLN 27 2HB GLN 27 6.655 -6.197 0.599
196 HB3 GLN 27 3HB GLN 27 4.953 -6.139 1.007
197 HG2 GLN 27 2HG GLN 27 5.539 -8.165 1.939
198 HG3 GLN 27 3HG GLN 27 4.964 -8.713 0.373
199 HE21 GLN 27 1HE2 GLN 27 6.364 -10.673 1.050
200 HE22 GLN 27 2HE2 GLN 27 8.095 -10.574 0.761
201 H PHE 28 H PHE 28 3.367 -5.010 -0.238
202 HA PHE 28 HA PHE 28 1.149 -5.244 0.112
203 HB2 PHE 28 2HB PHE 28 0.959 -4.831 -2.215
204 HB3 PHE 28 3HB PHE 28 1.245 -6.507 -2.643
205 HD1 PHE 28 HD1 PHE 28 -1.143 -4.531 -0.466
206 HD2 PHE 28 HD2 PHE 28 -0.630 -7.600 -3.459
207 HE1 PHE 28 HE1 PHE 28 -3.570 -4.991 -0.419
208 HE2 PHE 28 HE2 PHE 28 -3.079 -8.009 -3.451
209 HZ PHE 28 HZ PHE 28 -4.537 -6.768 -1.871
210 H ARG 29 H ARG 29 -0.782 -6.932 0.316
211 HA ARG 29 HA ARG 29 0.141 -9.707 0.667
212 HB2 ARG 29 2HB ARG 29 0.500 -8.315 2.814
213 HB3 ARG 29 3HB ARG 29 -1.236 -8.411 3.035
214 HG2 ARG 29 2HG ARG 29 0.573 -10.831 2.605
215 HG3 ARG 29 3HG ARG 29 0.203 -10.179 4.208
216 HD2 ARG 29 2HD ARG 29 -2.022 -10.755 4.139
217 HD3 ARG 29 3HD ARG 29 -2.037 -10.871 2.381
218 HE ARG 29 HE ARG 29 -0.231 -12.823 3.616
219 HH11 ARG 29 1HH1 ARG 29 -3.667 -12.395 3.104
220 HH12 ARG 29 2HH1 ARG 29 -3.971 -14.117 3.111
221 HH21 ARG 29 1HH2 ARG 29 -0.634 -14.944 3.276
222 HH22 ARG 29 2HH2 ARG 29 -2.293 -15.526 3.421
223 HA PRO 30 HA PRO 30 -3.928 -9.530 -1.420
224 HB2 PRO 30 2HB PRO 30 -3.041 -12.301 -2.185
225 HB3 PRO 30 3HB PRO 30 -3.780 -11.032 -3.206
226 HG2 PRO 30 2HG PRO 30 -1.111 -11.599 -3.333
227 HG3 PRO 30 3HG PRO 30 -1.705 -9.919 -3.464
228 HD2 PRO 30 2HD PRO 30 -0.521 -11.319 -1.064
229 HD3 PRO 30 3HD PRO 30 -0.244 -9.652 -1.652
230 HA PRO 31 HA PRO 31 -5.940 -10.518 -2.011
231 HB2 PRO 31 2HB PRO 31 -8.528 -10.617 -1.229
232 HB3 PRO 31 3HB PRO 31 -7.608 -12.083 -1.681
233 HG2 PRO 31 2HG PRO 31 -8.114 -10.996 1.114
234 HG3 PRO 31 3HG PRO 31 -8.374 -12.667 0.514
235 HD2 PRO 31 2HD PRO 31 -6.084 -11.924 1.822
236 HD3 PRO 31 3HD PRO 31 -6.067 -13.124 0.503
237 H SER 32 H SER 32 -6.105 -9.230 1.304
238 HA SER 32 HA SER 32 -6.823 -6.540 0.263
239 HB2 SER 32 2HB SER 32 -8.770 -6.386 1.781
240 HB3 SER 32 3HB SER 32 -8.953 -7.633 0.547
241 HG SER 32 HG SER 32 -9.580 -8.265 2.720
242 H SER 33 H SER 33 -4.408 -7.641 1.778
243 HA SER 33 HA SER 33 -4.395 -5.601 3.972
244 HB2 SER 33 2HB SER 33 -3.260 -8.401 4.064
245 HB3 SER 33 3HB SER 33 -2.970 -7.153 5.276
246 HG SER 33 HG SER 33 -5.444 -8.400 4.652
247 H CYS 34 H CYS 34 -2.060 -5.211 4.702
248 HA CYS 34 HA CYS 34 -0.095 -5.576 2.483
249 HB2 CYS 34 2HB CYS 34 -0.818 -3.208 2.678
250 HB3 CYS 34 3HB CYS 34 -0.207 -3.171 4.332
251 H ILE 35 H ILE 35 2.106 -5.288 3.380
252 HA ILE 35 HA ILE 35 2.624 -6.614 6.005
253 HB ILE 35 HB ILE 35 3.656 -7.532 3.314
254 HG12 ILE 35 2HG1 ILE 35 3.007 -9.092 5.854
255 HG13 ILE 35 3HG1 ILE 35 1.794 -8.665 4.662
256 HG21 ILE 35 1HG2 ILE 35 5.753 -6.995 4.496
257 HG22 ILE 35 2HG2 ILE 35 5.180 -7.854 5.942
258 HG23 ILE 35 3HG2 ILE 35 5.550 -8.730 4.448
259 HD11 ILE 35 1HD1 ILE 35 4.218 -10.446 4.161
260 HD12 ILE 35 2HD1 ILE 35 2.534 -10.949 4.276
261 HD13 ILE 35 3HD1 ILE 35 3.056 -9.933 2.915
262 H THR 36 H THR 36 3.816 -4.733 3.234
263 HA THR 36 HA THR 36 5.940 -3.485 4.755
264 HB THR 36 HB THR 36 5.920 -2.065 2.516
265 HG1 THR 36 HG1 THR 36 4.038 -2.766 1.609
266 HG21 THR 36 1HG2 THR 36 6.547 -5.052 2.632
267 HG22 THR 36 2HG2 THR 36 7.231 -3.879 1.480
268 HG23 THR 36 3HG2 THR 36 7.601 -3.764 3.210
269 H VAL 37 H VAL 37 2.629 -2.987 4.658
270 HA VAL 37 HA VAL 37 2.852 -0.659 6.476
271 HB VAL 37 HB VAL 37 1.195 -0.887 3.956
272 HG11 VAL 37 1HG1 VAL 37 0.404 0.867 6.295
273 HG12 VAL 37 2HG1 VAL 37 -0.248 0.941 4.639
274 HG13 VAL 37 3HG1 VAL 37 -0.549 -0.485 5.620
275 HG21 VAL 37 1HG2 VAL 37 3.244 0.470 3.901
276 HG22 VAL 37 2HG2 VAL 37 1.834 1.511 3.784
277 HG23 VAL 37 3HG2 VAL 37 2.710 1.380 5.328
278 H GLU 38 H GLU 38 1.016 -0.601 7.995
279 HA GLU 38 HA GLU 38 -0.276 -3.240 8.449
280 HB2 GLU 38 2HB GLU 38 1.006 -2.347 10.331
281 HB3 GLU 38 3HB GLU 38 -0.059 -0.940 10.397
282 HG2 GLU 38 2HG GLU 38 -1.998 -2.415 10.855
283 HG3 GLU 38 3HG GLU 38 -0.961 -3.836 10.701
284 H SER 39 H SER 39 -2.277 -3.630 8.221
285 HA SER 39 HA SER 39 -3.834 -1.909 6.520
286 HB2 SER 39 2HB SER 39 -4.581 -4.655 7.581
287 HB3 SER 39 3HB SER 39 -5.003 -3.935 6.016
288 HG SER 39 HG SER 39 -2.538 -4.966 6.899
289 HA PRO 40 HA PRO 40 -6.877 -3.217 6.284
290 HB2 PRO 40 2HB PRO 40 -8.524 -0.701 6.440
291 HB3 PRO 40 3HB PRO 40 -9.028 -2.356 5.976
292 HG2 PRO 40 2HG PRO 40 -9.551 -1.524 8.459
293 HG3 PRO 40 3HG PRO 40 -8.777 -3.131 8.257
294 HD2 PRO 40 2HD PRO 40 -7.433 -0.471 8.865
295 HD3 PRO 40 3HD PRO 40 -7.272 -2.027 9.729
296 H ILE 41 H ILE 41 -6.895 -2.733 3.961
297 HA ILE 41 HA ILE 41 -5.732 -0.167 3.097
298 HB ILE 41 HB ILE 41 -3.871 -1.832 3.773
299 HG12 ILE 41 2HG1 ILE 41 -2.390 -1.299 1.856
300 HG13 ILE 41 3HG1 ILE 41 -3.750 -0.599 0.998
301 HG21 ILE 41 1HG2 ILE 41 -4.545 -3.103 1.090
302 HG22 ILE 41 2HG2 ILE 41 -3.201 -3.493 2.156
303 HG23 ILE 41 3HG2 ILE 41 -4.868 -3.820 2.680
304 HD11 ILE 41 1HD1 ILE 41 -4.005 1.095 2.818
305 HD12 ILE 41 2HD1 ILE 41 -2.648 0.322 3.680
306 HD13 ILE 41 3HD1 ILE 41 -2.379 1.108 2.119
307 H SER 42 H SER 42 -5.777 0.236 0.840
308 HA SER 42 HA SER 42 -7.798 -1.153 -0.799
309 HB2 SER 42 2HB SER 42 -7.606 1.168 -1.260
310 HB3 SER 42 3HB SER 42 -5.837 1.090 -1.297
311 HG SER 42 HG SER 42 -7.609 -0.110 -3.216
312 H GLU 43 H GLU 43 -7.348 -2.734 -2.324
313 HA GLU 43 HA GLU 43 -4.669 -3.941 -2.299
314 HB2 GLU 43 2HB GLU 43 -5.669 -5.687 -3.707
315 HB3 GLU 43 3HB GLU 43 -6.529 -5.461 -2.195
316 HG2 GLU 43 2HG GLU 43 -7.546 -4.061 -4.675
317 HG3 GLU 43 3HG GLU 43 -7.794 -5.794 -4.491
318 H ASN 44 H ASN 44 -5.477 -1.263 -3.676
319 HA ASN 44 HA ASN 44 -3.724 -1.671 -6.059
320 HB2 ASN 44 2HB ASN 44 -6.218 0.090 -5.905
321 HB3 ASN 44 3HB ASN 44 -5.101 -0.006 -7.266
322 HD21 ASN 44 1HD2 ASN 44 -7.837 -1.527 -5.705
323 HD22 ASN 44 2HD2 ASN 44 -7.990 -2.821 -6.898
324 H GLY 45 H GLY 45 -5.211 0.797 -3.992
325 HA2 GLY 45 2HA GLY 45 -4.441 2.556 -2.775
326 HA3 GLY 45 3HA GLY 45 -3.340 1.290 -2.253
327 H TRP 46 H TRP 46 -1.300 1.244 -2.992
328 HA TRP 46 HA TRP 46 0.718 2.102 -2.945
329 HB2 TRP 46 2HB TRP 46 0.289 3.066 -5.220
330 HB3 TRP 46 3HB TRP 46 -0.167 4.568 -4.440
331 HD1 TRP 46 HD1 TRP 46 2.881 2.177 -4.120
332 HE1 TRP 46 HE1 TRP 46 5.024 3.582 -3.970
333 HE3 TRP 46 HE3 TRP 46 0.822 6.852 -4.442
334 HZ2 TRP 46 HZ2 TRP 46 5.776 6.354 -4.180
335 HZ3 TRP 46 HZ3 TRP 46 2.273 8.866 -4.440
336 HH2 TRP 46 HH2 TRP 46 4.741 8.637 -4.322
337 H CYS 47 H CYS 47 1.926 3.168 -1.447
338 HA CYS 47 HA CYS 47 0.607 5.269 0.198
339 HB2 CYS 47 2HB CYS 47 1.205 4.168 2.216
340 HB3 CYS 47 3HB CYS 47 0.520 2.910 1.199
341 H ARG 48 H ARG 48 2.328 6.017 1.852
342 HA ARG 48 HA ARG 48 4.671 7.012 0.329
343 HB2 ARG 48 2HB ARG 48 3.084 8.366 2.562
344 HB3 ARG 48 3HB ARG 48 4.442 9.076 1.716
345 HG2 ARG 48 2HG ARG 48 1.717 8.388 0.518
346 HG3 ARG 48 3HG ARG 48 2.333 9.987 0.888
347 HD2 ARG 48 2HD ARG 48 3.272 8.093 -1.289
348 HD3 ARG 48 3HD ARG 48 2.515 9.669 -1.481
349 HE ARG 48 HE ARG 48 4.544 10.687 -0.439
350 HH11 ARG 48 1HH1 ARG 48 4.968 7.503 -1.889
351 HH12 ARG 48 2HH1 ARG 48 6.709 7.690 -1.959
352 HH21 ARG 48 1HH2 ARG 48 6.776 10.813 -0.572
353 HH22 ARG 48 2HH2 ARG 48 7.685 9.426 -1.134
354 H LEU 49 H LEU 49 4.255 4.676 2.392
355 HA LEU 49 HA LEU 49 6.988 4.953 3.300
356 HB2 LEU 49 2HB LEU 49 5.160 5.929 5.068
357 HB3 LEU 49 3HB LEU 49 5.198 4.260 5.608
358 HG LEU 49 HG LEU 49 7.600 6.125 5.305
359 HD11 LEU 49 1HD1 LEU 49 6.137 5.201 7.809
360 HD12 LEU 49 2HD1 LEU 49 7.577 6.234 7.758
361 HD13 LEU 49 3HD1 LEU 49 6.048 6.827 7.096
362 HD21 LEU 49 1HD2 LEU 49 8.342 3.791 5.131
363 HD22 LEU 49 2HD2 LEU 49 8.828 4.479 6.684
364 HD23 LEU 49 3HD2 LEU 49 7.439 3.376 6.609
365 H TYR 50 H TYR 50 5.940 3.272 1.385
366 HA TYR 50 HA TYR 50 5.540 0.641 2.402
367 HB2 TYR 50 2HB TYR 50 6.057 -0.108 0.110
368 HB3 TYR 50 3HB TYR 50 4.788 1.085 0.237
369 HD1 TYR 50 HD1 TYR 50 5.110 3.425 -0.522
370 HD2 TYR 50 HD2 TYR 50 8.020 0.329 -1.242
371 HE1 TYR 50 HE1 TYR 50 6.112 4.787 -2.346
372 HE2 TYR 50 HE2 TYR 50 8.940 1.640 -3.151
373 HH TYR 50 HH TYR 50 8.724 3.493 -4.449
374 H ALA 51 H ALA 51 6.825 -0.636 3.351
375 HA ALA 51 HA ALA 51 9.664 0.052 3.722
376 HB1 ALA 51 1HB ALA 51 7.858 -1.892 5.220
377 HB2 ALA 51 2HB ALA 51 9.436 -1.272 5.760
378 HB3 ALA 51 3HB ALA 51 8.064 -0.171 5.605
379 H GLY 52 H GLY 52 10.702 -2.405 4.627
380 HA2 GLY 52 2HA GLY 52 11.305 -4.552 4.151
381 HA3 GLY 52 3HA GLY 52 10.153 -4.588 2.820
382 H LYS 53 H LYS 53 11.682 -2.102 1.748
383 HA LYS 53 HA LYS 53 13.485 -3.424 -0.067
384 HB2 LYS 53 2HB LYS 53 12.090 -1.384 -0.498
385 HB3 LYS 53 3HB LYS 53 13.144 -0.467 0.578
386 HG2 LYS 53 2HG LYS 53 15.082 -1.129 -0.956
387 HG3 LYS 53 3HG LYS 53 13.861 -1.799 -2.062
388 HD2 LYS 53 2HD LYS 53 12.827 0.424 -2.300
389 HD3 LYS 53 3HD LYS 53 13.914 1.091 -1.076
390 HE2 LYS 53 2HE LYS 53 15.863 0.500 -2.531
391 HE3 LYS 53 3HE LYS 53 14.730 -0.055 -3.775
392 HZ1 LYS 53 1HZ LYS 53 14.918 2.704 -2.702
393 HZ2 LYS 53 2HZ LYS 53 15.442 2.189 -4.177
394 HZ3 LYS 53 3HZ LYS 53 13.835 2.191 -3.868
395 H ALA 54 H ALA 54 15.138 -4.468 0.986
396 HA ALA 54 HA ALA 54 16.991 -2.892 2.736
397 HB1 ALA 54 1HB ALA 54 15.865 -5.691 3.157
398 HB2 ALA 54 2HB ALA 54 17.071 -4.889 4.186
399 HB3 ALA 54 3HB ALA 54 15.431 -4.223 4.061
Start of MODEL 6
1 H1 VAL 1 1H VAL 1 15.172 -6.381 10.796
2 H2 VAL 1 2H VAL 1 16.359 -7.114 9.958
3 H3 VAL 1 3H VAL 1 15.494 -5.913 9.247
4 HA VAL 1 HA VAL 1 17.424 -5.692 11.449
5 HB VAL 1 HB VAL 1 17.470 -4.001 8.947
6 HG11 VAL 1 1HG1 VAL 1 19.628 -4.933 10.901
7 HG12 VAL 1 2HG1 VAL 1 19.856 -3.821 9.537
8 HG13 VAL 1 3HG1 VAL 1 18.864 -3.334 10.913
9 HG21 VAL 1 1HG2 VAL 1 17.607 -6.240 8.032
10 HG22 VAL 1 2HG2 VAL 1 19.231 -5.572 8.079
11 HG23 VAL 1 3HG2 VAL 1 18.750 -6.752 9.306
12 H THR 2 H THR 2 14.898 -3.820 9.668
13 HA THR 2 HA THR 2 14.241 -2.560 12.260
14 HB THR 2 HB THR 2 15.488 -0.856 10.933
15 HG1 THR 2 HG1 THR 2 13.605 0.658 11.084
16 HG21 THR 2 1HG2 THR 2 14.421 0.266 9.080
17 HG22 THR 2 2HG2 THR 2 14.662 -1.437 8.653
18 HG23 THR 2 3HG2 THR 2 13.048 -0.856 9.114
19 H LYS 3 H LYS 3 11.963 -1.789 12.304
20 HA LYS 3 HA LYS 3 10.177 -3.739 11.055
21 HB2 LYS 3 2HB LYS 3 8.486 -2.851 12.452
22 HB3 LYS 3 3HB LYS 3 9.965 -3.015 13.392
23 HG2 LYS 3 2HG LYS 3 10.357 -0.558 13.199
24 HG3 LYS 3 3HG LYS 3 8.899 -0.404 12.222
25 HD2 LYS 3 2HD LYS 3 8.379 0.252 14.469
26 HD3 LYS 3 3HD LYS 3 7.531 -1.258 14.103
27 HE2 LYS 3 2HE LYS 3 9.396 -2.505 15.292
28 HE3 LYS 3 3HE LYS 3 10.099 -0.940 15.732
29 HZ1 LYS 3 1HZ LYS 3 8.742 -1.756 17.518
30 HZ2 LYS 3 2HZ LYS 3 7.963 -0.458 16.880
31 HZ3 LYS 3 3HZ LYS 3 7.438 -1.980 16.538
32 H LYS 4 H LYS 4 8.196 -3.156 9.913
33 HA LYS 4 HA LYS 4 8.569 -1.174 7.774
34 HB2 LYS 4 2HB LYS 4 6.189 -2.891 8.594
35 HB3 LYS 4 3HB LYS 4 6.097 -1.677 7.341
36 HG2 LYS 4 2HG LYS 4 6.426 -3.625 6.141
37 HG3 LYS 4 3HG LYS 4 8.018 -2.866 6.147
38 HD2 LYS 4 2HD LYS 4 8.714 -4.390 7.989
39 HD3 LYS 4 3HD LYS 4 7.108 -5.145 7.972
40 HE2 LYS 4 2HE LYS 4 7.475 -5.906 5.660
41 HE3 LYS 4 3HE LYS 4 9.022 -5.062 5.601
42 HZ1 LYS 4 1HZ LYS 4 9.790 -6.528 7.427
43 HZ2 LYS 4 2HZ LYS 4 8.357 -7.355 7.368
44 HZ3 LYS 4 3HZ LYS 4 9.364 -7.395 6.101
45 H ALA 5 H ALA 5 7.319 0.716 7.481
46 HA ALA 5 HA ALA 5 6.853 2.340 9.812
47 HB1 ALA 5 1HB ALA 5 6.126 3.983 8.167
48 HB2 ALA 5 2HB ALA 5 7.558 3.157 7.547
49 HB3 ALA 5 3HB ALA 5 5.946 2.737 6.923
50 H SER 6 H SER 6 4.645 3.601 9.886
51 HA SER 6 HA SER 6 2.333 1.721 9.791
52 HB2 SER 6 2HB SER 6 1.171 3.262 11.237
53 HB3 SER 6 3HB SER 6 2.712 2.788 11.960
54 HG SER 6 HG SER 6 2.286 5.016 12.145
55 H HIS 7 H HIS 7 0.269 2.704 9.102
56 HA HIS 7 HA HIS 7 0.200 3.418 6.447
57 HB2 HIS 7 2HB HIS 7 -2.148 3.941 6.841
58 HB3 HIS 7 3HB HIS 7 -1.648 2.485 7.665
59 HD2 HIS 7 HD2 HIS 7 -4.290 4.017 8.451
60 HE1 HIS 7 HE1 HIS 7 -2.290 4.624 12.154
61 HE2 HIS 7 HE2 HIS 7 -4.565 4.535 11.005
62 H LYS 8 H LYS 8 0.593 5.681 9.006
63 HA LYS 8 HA LYS 8 -0.005 8.122 7.467
64 HB2 LYS 8 2HB LYS 8 1.146 7.548 10.216
65 HB3 LYS 8 3HB LYS 8 1.412 9.121 9.479
66 HG2 LYS 8 2HG LYS 8 -0.477 9.296 10.912
67 HG3 LYS 8 3HG LYS 8 -0.993 9.499 9.243
68 HD2 LYS 8 2HD LYS 8 -1.734 7.067 9.268
69 HD3 LYS 8 3HD LYS 8 -1.368 7.036 11.000
70 HE2 LYS 8 2HE LYS 8 -3.343 8.889 9.589
71 HE3 LYS 8 3HE LYS 8 -3.777 7.391 10.407
72 HZ1 LYS 8 1HZ LYS 8 -4.165 9.284 11.807
73 HZ2 LYS 8 2HZ LYS 8 -2.995 8.391 12.513
74 HZ3 LYS 8 3HZ LYS 8 -2.615 9.794 11.731
75 H ASP 9 H ASP 9 3.007 6.546 8.523
76 HA ASP 9 HA ASP 9 4.710 8.379 7.008
77 HB2 ASP 9 2HB ASP 9 5.102 5.953 8.735
78 HB3 ASP 9 3HB ASP 9 6.369 6.345 7.571
79 H ALA 10 H ALA 10 2.867 5.618 6.159
80 HA ALA 10 HA ALA 10 4.266 5.174 3.620
81 HB1 ALA 10 1HB ALA 10 1.623 4.081 4.643
82 HB2 ALA 10 2HB ALA 10 2.605 3.443 3.312
83 HB3 ALA 10 3HB ALA 10 3.212 3.354 4.971
84 H GLY 11 H GLY 11 2.097 7.547 4.718
85 HA2 GLY 11 2HA GLY 11 0.874 9.170 3.671
86 HA3 GLY 11 3HA GLY 11 1.742 8.771 2.183
87 H TYR 12 H TYR 12 -0.416 6.511 3.956
88 HA TYR 12 HA TYR 12 -1.371 5.655 1.466
89 HB2 TYR 12 2HB TYR 12 -2.254 3.888 2.471
90 HB3 TYR 12 3HB TYR 12 -1.154 4.291 3.677
91 HD1 TYR 12 HD1 TYR 12 -2.521 6.268 5.419
92 HD2 TYR 12 HD2 TYR 12 -4.296 3.195 2.985
93 HE1 TYR 12 HE1 TYR 12 -4.483 6.182 6.956
94 HE2 TYR 12 HE2 TYR 12 -6.247 3.078 4.548
95 HH TYR 12 HH TYR 12 -6.439 5.108 7.489
96 H GLN 13 H GLN 13 -3.295 5.509 0.457
97 HA GLN 13 HA GLN 13 -5.621 7.050 0.854
98 HB2 GLN 13 2HB GLN 13 -5.226 8.880 -0.733
99 HB3 GLN 13 3HB GLN 13 -4.125 9.005 0.620
100 HG2 GLN 13 2HG GLN 13 -2.363 7.819 -0.873
101 HG3 GLN 13 3HG GLN 13 -3.477 8.091 -2.213
102 HE21 GLN 13 1HE2 GLN 13 -1.177 9.568 -0.017
103 HE22 GLN 13 2HE2 GLN 13 -1.268 11.181 -0.724
104 H GLU 14 H GLU 14 -7.007 6.954 -1.164
105 HA GLU 14 HA GLU 14 -6.399 4.682 -2.901
106 HB2 GLU 14 2HB GLU 14 -8.659 6.698 -2.879
107 HB3 GLU 14 3HB GLU 14 -8.519 5.406 -4.085
108 HG2 GLU 14 2HG GLU 14 -8.465 3.718 -2.275
109 HG3 GLU 14 3HG GLU 14 -8.791 4.999 -1.092
110 H SER 15 H SER 15 -4.235 5.935 -3.387
111 HA SER 15 HA SER 15 -4.394 6.327 -6.234
112 HB2 SER 15 2HB SER 15 -4.909 8.629 -5.524
113 HB3 SER 15 3HB SER 15 -3.390 8.704 -4.624
114 HG SER 15 HG SER 15 -2.347 8.966 -6.418
115 HA PRO 16 HA PRO 16 -0.399 4.351 -5.161
116 HB2 PRO 16 2HB PRO 16 0.300 3.470 -7.682
117 HB3 PRO 16 3HB PRO 16 -0.944 2.694 -6.671
118 HG2 PRO 16 2HG PRO 16 -1.297 4.710 -8.904
119 HG3 PRO 16 3HG PRO 16 -2.200 3.186 -8.617
120 HD2 PRO 16 2HD PRO 16 -3.162 5.625 -7.888
121 HD3 PRO 16 3HD PRO 16 -3.491 4.151 -6.927
122 H ASN 17 H ASN 17 1.913 4.363 -6.088
123 HA ASN 17 HA ASN 17 2.806 7.148 -6.426
124 HB2 ASN 17 2HB ASN 17 3.853 5.337 -4.886
125 HB3 ASN 17 3HB ASN 17 4.533 4.650 -6.355
126 HD21 ASN 17 1HD2 ASN 17 6.526 5.175 -4.867
127 HD22 ASN 17 2HD2 ASN 17 7.150 6.807 -4.993
128 H GLY 18 H GLY 18 4.650 7.472 -8.069
129 HA2 GLY 18 2HA GLY 18 3.557 7.664 -10.585
130 HA3 GLY 18 3HA GLY 18 5.284 7.744 -10.251
131 H ALA 19 H ALA 19 5.534 4.873 -9.501
132 HA ALA 19 HA ALA 19 4.674 3.426 -11.963
133 HB1 ALA 19 1HB ALA 19 7.525 3.485 -10.881
134 HB2 ALA 19 2HB ALA 19 6.948 2.574 -12.293
135 HB3 ALA 19 3HB ALA 19 6.956 4.343 -12.331
136 H LYS 20 H LYS 20 4.144 3.367 -8.838
137 HA LYS 20 HA LYS 20 4.332 0.414 -8.497
138 HB2 LYS 20 2HB LYS 20 5.611 2.493 -6.680
139 HB3 LYS 20 3HB LYS 20 5.183 0.872 -6.123
140 HG2 LYS 20 2HG LYS 20 6.614 -0.160 -7.813
141 HG3 LYS 20 3HG LYS 20 7.046 1.438 -8.458
142 HD2 LYS 20 2HD LYS 20 8.279 2.048 -6.554
143 HD3 LYS 20 3HD LYS 20 7.561 0.775 -5.556
144 HE2 LYS 20 2HE LYS 20 9.881 0.244 -6.133
145 HE3 LYS 20 3HE LYS 20 8.749 -0.959 -6.737
146 HZ1 LYS 20 1HZ LYS 20 9.900 1.201 -8.429
147 HZ2 LYS 20 2HZ LYS 20 10.483 -0.329 -8.319
148 HZ3 LYS 20 3HZ LYS 20 8.985 -0.043 -8.949
149 H ARG 21 H ARG 21 2.829 -0.515 -7.346
150 HA ARG 21 HA ARG 21 0.838 1.016 -5.739
151 HB2 ARG 21 2HB ARG 21 -1.010 -0.104 -6.740
152 HB3 ARG 21 3HB ARG 21 -0.016 0.405 -8.104
153 HG2 ARG 21 2HG ARG 21 1.005 -1.922 -8.108
154 HG3 ARG 21 3HG ARG 21 -0.171 -2.395 -6.861
155 HD2 ARG 21 2HD ARG 21 -2.027 -2.054 -8.372
156 HD3 ARG 21 3HD ARG 21 -0.966 -1.297 -9.574
157 HE ARG 21 HE ARG 21 -0.117 -3.346 -10.223
158 HH11 ARG 21 1HH1 ARG 21 -2.144 -4.051 -7.388
159 HH12 ARG 21 2HH1 ARG 21 -1.667 -5.730 -7.461
160 HH21 ARG 21 1HH2 ARG 21 0.362 -5.347 -10.209
161 HH22 ARG 21 2HH2 ARG 21 -0.486 -6.505 -9.180
162 H CYS 22 H CYS 22 -0.515 -0.696 -4.397
163 HA CYS 22 HA CYS 22 0.939 -2.124 -2.630
164 HB2 CYS 22 2HB CYS 22 -1.816 -2.753 -3.786
165 HB3 CYS 22 3HB CYS 22 -1.189 -3.387 -2.261
166 H GLY 23 H GLY 23 2.494 -3.529 -2.946
167 HA2 GLY 23 2HA GLY 23 3.000 -5.933 -3.139
168 HA3 GLY 23 3HA GLY 23 2.091 -5.973 -4.652
169 H THR 24 H THR 24 3.039 -3.740 -5.998
170 HA THR 24 HA THR 24 5.854 -4.426 -6.586
171 HB THR 24 HB THR 24 5.659 -2.823 -8.424
172 HG1 THR 24 HG1 THR 24 3.448 -2.089 -8.837
173 HG21 THR 24 1HG2 THR 24 4.132 -4.067 -9.790
174 HG22 THR 24 2HG2 THR 24 4.822 -5.217 -8.637
175 HG23 THR 24 3HG2 THR 24 3.179 -4.599 -8.388
176 H CYS 25 H CYS 25 4.124 -2.214 -4.682
177 HA CYS 25 HA CYS 25 5.689 0.002 -4.159
178 HB2 CYS 25 2HB CYS 25 4.561 -0.131 -1.976
179 HB3 CYS 25 3HB CYS 25 3.462 -0.480 -3.259
180 H ARG 26 H ARG 26 5.762 -2.663 -1.980
181 HA ARG 26 HA ARG 26 8.542 -3.377 -2.425
182 HB2 ARG 26 2HB ARG 26 9.009 -1.593 -0.856
183 HB3 ARG 26 3HB ARG 26 7.744 -2.136 0.242
184 HG2 ARG 26 2HG ARG 26 9.973 -2.672 1.085
185 HG3 ARG 26 3HG ARG 26 9.009 -4.120 0.836
186 HD2 ARG 26 2HD ARG 26 10.272 -4.396 -1.407
187 HD3 ARG 26 3HD ARG 26 11.326 -3.100 -0.850
188 HE ARG 26 HE ARG 26 12.250 -4.544 0.791
189 HH11 ARG 26 1HH1 ARG 26 9.531 -6.232 -0.727
190 HH12 ARG 26 2HH1 ARG 26 9.985 -7.733 0.047
191 HH21 ARG 26 1HH2 ARG 26 12.869 -6.506 1.438
192 HH22 ARG 26 2HH2 ARG 26 11.850 -7.912 1.194
193 H GLN 27 H GLN 27 5.720 -3.761 -0.230
194 HA GLN 27 HA GLN 27 5.330 -6.471 -1.043
195 HB2 GLN 27 2HB GLN 27 5.732 -7.591 1.119
196 HB3 GLN 27 3HB GLN 27 7.188 -7.075 0.308
197 HG2 GLN 27 2HG GLN 27 7.138 -5.003 1.899
198 HG3 GLN 27 3HG GLN 27 5.955 -5.919 2.822
199 HE21 GLN 27 1HE2 GLN 27 7.129 -8.599 2.566
200 HE22 GLN 27 2HE2 GLN 27 8.552 -8.479 3.596
201 H PHE 28 H PHE 28 3.170 -6.247 -1.283
202 HA PHE 28 HA PHE 28 1.477 -5.440 0.982
203 HB2 PHE 28 2HB PHE 28 -0.308 -5.511 -0.345
204 HB3 PHE 28 3HB PHE 28 0.903 -5.123 -1.530
205 HD1 PHE 28 HD1 PHE 28 2.027 -7.813 -2.266
206 HD2 PHE 28 HD2 PHE 28 -2.021 -6.588 -1.427
207 HE1 PHE 28 HE1 PHE 28 1.182 -9.573 -3.783
208 HE2 PHE 28 HE2 PHE 28 -2.866 -8.350 -2.952
209 HZ PHE 28 HZ PHE 28 -1.262 -9.838 -4.149
210 H ARG 29 H ARG 29 -0.395 -7.097 1.406
211 HA ARG 29 HA ARG 29 0.785 -9.792 1.939
212 HB2 ARG 29 2HB ARG 29 0.369 -8.580 4.007
213 HB3 ARG 29 3HB ARG 29 -1.262 -8.208 3.504
214 HG2 ARG 29 2HG ARG 29 -1.406 -9.938 5.066
215 HG3 ARG 29 3HG ARG 29 -1.780 -10.687 3.504
216 HD2 ARG 29 2HD ARG 29 0.692 -11.389 3.396
217 HD3 ARG 29 3HD ARG 29 0.820 -10.773 5.049
218 HE ARG 29 HE ARG 29 -1.358 -12.737 4.606
219 HH11 ARG 29 1HH1 ARG 29 2.075 -12.659 5.439
220 HH12 ARG 29 2HH1 ARG 29 2.010 -14.326 5.999
221 HH21 ARG 29 1HH2 ARG 29 -1.264 -14.820 5.163
222 HH22 ARG 29 2HH2 ARG 29 0.207 -15.487 5.830
223 HA PRO 30 HA PRO 30 -2.468 -10.482 -1.193
224 HB2 PRO 30 2HB PRO 30 -1.758 -13.097 -1.820
225 HB3 PRO 30 3HB PRO 30 -1.081 -11.639 -2.598
226 HG2 PRO 30 2HG PRO 30 0.064 -13.282 -0.352
227 HG3 PRO 30 3HG PRO 30 0.919 -12.595 -1.767
228 HD2 PRO 30 2HD PRO 30 1.001 -11.429 0.682
229 HD3 PRO 30 3HD PRO 30 0.963 -10.440 -0.807
230 HA PRO 31 HA PRO 31 -4.108 -11.727 -2.180
231 HB2 PRO 31 2HB PRO 31 -6.800 -11.937 -2.148
232 HB3 PRO 31 3HB PRO 31 -5.720 -13.360 -2.118
233 HG2 PRO 31 2HG PRO 31 -7.063 -11.988 0.235
234 HG3 PRO 31 3HG PRO 31 -7.065 -13.736 -0.163
235 HD2 PRO 31 2HD PRO 31 -5.294 -12.656 1.624
236 HD3 PRO 31 3HD PRO 31 -4.825 -13.985 0.529
237 H SER 32 H SER 32 -5.409 -9.997 0.673
238 HA SER 32 HA SER 32 -5.807 -7.553 -0.977
239 HB2 SER 32 2HB SER 32 -7.878 -8.966 -1.106
240 HB3 SER 32 3HB SER 32 -8.054 -8.795 0.652
241 HG SER 32 HG SER 32 -8.126 -6.573 0.367
242 H SER 33 H SER 33 -3.970 -8.198 1.260
243 HA SER 33 HA SER 33 -4.764 -6.106 3.254
244 HB2 SER 33 2HB SER 33 -3.460 -8.811 3.653
245 HB3 SER 33 3HB SER 33 -3.480 -7.554 4.892
246 HG SER 33 HG SER 33 -5.230 -8.800 5.272
247 H CYS 34 H CYS 34 -2.692 -5.451 4.556
248 HA CYS 34 HA CYS 34 -0.288 -5.299 2.780
249 HB2 CYS 34 2HB CYS 34 -1.463 -3.230 2.479
250 HB3 CYS 34 3HB CYS 34 -1.567 -2.966 4.231
251 H ILE 35 H ILE 35 1.631 -4.646 3.833
252 HA ILE 35 HA ILE 35 1.995 -5.896 6.530
253 HB ILE 35 HB ILE 35 4.018 -5.602 4.278
254 HG12 ILE 35 2HG1 ILE 35 2.465 -8.053 5.238
255 HG13 ILE 35 3HG1 ILE 35 2.255 -7.224 3.692
256 HG21 ILE 35 1HG2 ILE 35 4.212 -7.117 6.925
257 HG22 ILE 35 2HG2 ILE 35 5.446 -7.101 5.647
258 HG23 ILE 35 3HG2 ILE 35 5.088 -5.627 6.518
259 HD11 ILE 35 1HD1 ILE 35 3.467 -9.210 3.267
260 HD12 ILE 35 2HD1 ILE 35 4.572 -7.845 3.052
261 HD13 ILE 35 3HD1 ILE 35 4.667 -8.856 4.516
262 H THR 36 H THR 36 2.206 -2.916 4.741
263 HA THR 36 HA THR 36 3.673 -1.566 6.992
264 HB THR 36 HB THR 36 2.804 -0.324 4.359
265 HG1 THR 36 HG1 THR 36 4.242 -1.709 3.676
266 HG21 THR 36 1HG2 THR 36 4.579 1.311 4.890
267 HG22 THR 36 2HG2 THR 36 3.342 1.275 6.162
268 HG23 THR 36 3HG2 THR 36 4.896 0.462 6.421
269 H VAL 37 H VAL 37 0.673 -1.493 5.076
270 HA VAL 37 HA VAL 37 -0.457 0.638 6.797
271 HB VAL 37 HB VAL 37 -1.240 -0.422 4.054
272 HG11 VAL 37 1HG1 VAL 37 -2.280 2.030 5.517
273 HG12 VAL 37 2HG1 VAL 37 -2.552 1.647 3.819
274 HG13 VAL 37 3HG1 VAL 37 -3.212 0.585 5.055
275 HG21 VAL 37 1HG2 VAL 37 -0.330 1.916 3.389
276 HG22 VAL 37 2HG2 VAL 37 0.440 1.938 4.984
277 HG23 VAL 37 3HG2 VAL 37 0.847 0.684 3.803
278 H GLU 38 H GLU 38 -2.598 0.533 7.613
279 HA GLU 38 HA GLU 38 -3.410 -1.902 8.752
280 HB2 GLU 38 2HB GLU 38 -4.022 0.409 9.522
281 HB3 GLU 38 3HB GLU 38 -5.112 0.558 8.146
282 HG2 GLU 38 2HG GLU 38 -6.329 -0.006 10.204
283 HG3 GLU 38 3HG GLU 38 -6.504 -1.289 9.011
284 H SER 39 H SER 39 -5.048 -3.393 8.310
285 HA SER 39 HA SER 39 -5.768 -3.612 5.416
286 HB2 SER 39 2HB SER 39 -5.321 -5.757 7.512
287 HB3 SER 39 3HB SER 39 -5.927 -6.066 5.876
288 HG SER 39 HG SER 39 -3.425 -5.057 6.702
289 HA PRO 40 HA PRO 40 -7.133 -5.314 4.248
290 HB2 PRO 40 2HB PRO 40 -9.321 -5.159 2.672
291 HB3 PRO 40 3HB PRO 40 -9.192 -6.346 4.006
292 HG2 PRO 40 2HG PRO 40 -10.561 -3.635 4.062
293 HG3 PRO 40 3HG PRO 40 -11.236 -5.217 4.567
294 HD2 PRO 40 2HD PRO 40 -10.121 -3.471 6.348
295 HD3 PRO 40 3HD PRO 40 -9.951 -5.240 6.542
296 H ILE 41 H ILE 41 -6.852 -4.561 2.022
297 HA ILE 41 HA ILE 41 -6.744 -1.579 1.782
298 HB ILE 41 HB ILE 41 -4.624 -1.742 0.679
299 HG12 ILE 41 2HG1 ILE 41 -3.193 -3.742 0.790
300 HG13 ILE 41 3HG1 ILE 41 -4.581 -4.719 1.233
301 HG21 ILE 41 1HG2 ILE 41 -4.369 -3.344 3.249
302 HG22 ILE 41 2HG2 ILE 41 -3.320 -2.057 2.608
303 HG23 ILE 41 3HG2 ILE 41 -4.914 -1.666 3.247
304 HD11 ILE 41 1HD1 ILE 41 -3.878 -4.924 -1.148
305 HD12 ILE 41 2HD1 ILE 41 -5.556 -4.408 -0.986
306 HD13 ILE 41 3HD1 ILE 41 -4.285 -3.216 -1.394
307 H SER 42 H SER 42 -6.128 -1.046 -0.690
308 HA SER 42 HA SER 42 -8.118 -2.451 -2.457
309 HB2 SER 42 2HB SER 42 -8.567 -0.040 -1.817
310 HB3 SER 42 3HB SER 42 -7.125 0.398 -2.752
311 HG SER 42 HG SER 42 -8.114 -0.249 -4.589
312 H GLU 43 H GLU 43 -6.936 -3.887 -3.714
313 HA GLU 43 HA GLU 43 -4.141 -3.592 -3.854
314 HB2 GLU 43 2HB GLU 43 -3.983 -5.673 -4.588
315 HB3 GLU 43 3HB GLU 43 -5.577 -5.737 -3.878
316 HG2 GLU 43 2HG GLU 43 -4.924 -5.532 -6.855
317 HG3 GLU 43 3HG GLU 43 -5.362 -6.994 -5.991
318 H ASN 44 H ASN 44 -6.278 -2.037 -5.897
319 HA ASN 44 HA ASN 44 -4.469 -1.641 -8.124
320 HB2 ASN 44 2HB ASN 44 -6.124 0.022 -8.832
321 HB3 ASN 44 3HB ASN 44 -6.948 -1.446 -8.332
322 HD21 ASN 44 1HD2 ASN 44 -8.477 0.767 -8.487
323 HD22 ASN 44 2HD2 ASN 44 -8.854 1.377 -6.876
324 H GLY 45 H GLY 45 -4.234 -0.495 -4.965
325 HA2 GLY 45 2HA GLY 45 -1.998 0.805 -4.782
326 HA3 GLY 45 3HA GLY 45 -2.804 1.995 -5.809
327 H TRP 46 H TRP 46 -2.428 0.772 -2.634
328 HA TRP 46 HA TRP 46 -4.439 2.667 -1.526
329 HB2 TRP 46 2HB TRP 46 -4.536 0.146 -1.227
330 HB3 TRP 46 3HB TRP 46 -3.083 0.280 -0.256
331 HD1 TRP 46 HD1 TRP 46 -3.470 0.383 2.172
332 HE1 TRP 46 HE1 TRP 46 -5.471 0.733 3.753
333 HE3 TRP 46 HE3 TRP 46 -6.918 2.018 -1.235
334 HZ2 TRP 46 HZ2 TRP 46 -8.255 1.467 3.529
335 HZ3 TRP 46 HZ3 TRP 46 -9.284 2.402 -0.535
336 HH2 TRP 46 HH2 TRP 46 -9.949 2.142 1.836
337 H CYS 47 H CYS 47 -0.926 2.230 -1.656
338 HA CYS 47 HA CYS 47 -0.811 4.833 -0.362
339 HB2 CYS 47 2HB CYS 47 0.375 4.345 1.502
340 HB3 CYS 47 3HB CYS 47 -0.309 2.744 1.305
341 H ARG 48 H ARG 48 1.707 5.407 -0.221
342 HA ARG 48 HA ARG 48 3.003 4.860 -2.806
343 HB2 ARG 48 2HB ARG 48 3.116 7.195 -3.514
344 HB3 ARG 48 3HB ARG 48 1.450 6.637 -3.398
345 HG2 ARG 48 2HG ARG 48 1.192 7.785 -1.222
346 HG3 ARG 48 3HG ARG 48 2.873 8.324 -1.284
347 HD2 ARG 48 2HD ARG 48 0.724 9.045 -3.322
348 HD3 ARG 48 3HD ARG 48 1.188 10.028 -1.940
349 HE ARG 48 HE ARG 48 3.376 10.396 -2.894
350 HH11 ARG 48 1HH1 ARG 48 0.949 9.461 -5.257
351 HH12 ARG 48 2HH1 ARG 48 1.991 9.861 -6.594
352 HH21 ARG 48 1HH2 ARG 48 4.642 10.834 -4.657
353 HH22 ARG 48 2HH2 ARG 48 3.989 10.610 -6.268
354 H LEU 49 H LEU 49 3.471 5.110 0.406
355 HA LEU 49 HA LEU 49 6.350 5.432 -0.066
356 HB2 LEU 49 2HB LEU 49 5.255 7.648 0.672
357 HB3 LEU 49 3HB LEU 49 5.040 6.907 2.244
358 HG LEU 49 HG LEU 49 7.507 6.701 2.487
359 HD11 LEU 49 1HD1 LEU 49 7.629 8.120 -0.206
360 HD12 LEU 49 2HD1 LEU 49 8.997 7.837 0.883
361 HD13 LEU 49 3HD1 LEU 49 8.199 6.466 0.123
362 HD21 LEU 49 1HD2 LEU 49 6.632 9.487 1.640
363 HD22 LEU 49 2HD2 LEU 49 6.334 8.751 3.228
364 HD23 LEU 49 3HD2 LEU 49 7.994 9.076 2.704
365 H TYR 50 H TYR 50 4.311 3.313 0.725
366 HA TYR 50 HA TYR 50 4.687 1.406 2.341
367 HB2 TYR 50 2HB TYR 50 5.560 0.021 0.387
368 HB3 TYR 50 3HB TYR 50 4.110 0.972 0.138
369 HD1 TYR 50 HD1 TYR 50 7.797 0.969 -0.550
370 HD2 TYR 50 HD2 TYR 50 3.916 2.522 -1.618
371 HE1 TYR 50 HE1 TYR 50 8.789 2.066 -2.527
372 HE2 TYR 50 HE2 TYR 50 4.918 3.583 -3.647
373 HH TYR 50 HH TYR 50 8.422 3.324 -4.371
374 H ALA 51 H ALA 51 6.042 -0.048 3.297
375 HA ALA 51 HA ALA 51 8.894 0.804 3.557
376 HB1 ALA 51 1HB ALA 51 6.993 -0.337 5.612
377 HB2 ALA 51 2HB ALA 51 8.653 0.255 5.903
378 HB3 ALA 51 3HB ALA 51 7.381 1.390 5.410
379 H GLY 52 H GLY 52 10.289 -0.822 4.591
380 HA2 GLY 52 2HA GLY 52 10.773 -3.244 4.914
381 HA3 GLY 52 3HA GLY 52 9.981 -3.556 3.373
382 H LYS 53 H LYS 53 11.818 -0.656 3.278
383 HA LYS 53 HA LYS 53 13.982 -2.015 1.713
384 HB2 LYS 53 2HB LYS 53 14.173 0.077 0.442
385 HB3 LYS 53 3HB LYS 53 12.588 -0.668 0.300
386 HG2 LYS 53 2HG LYS 53 11.574 0.931 1.782
387 HG3 LYS 53 3HG LYS 53 13.131 1.611 2.260
388 HD2 LYS 53 2HD LYS 53 12.180 1.649 -0.628
389 HD3 LYS 53 3HD LYS 53 11.659 2.875 0.516
390 HE2 LYS 53 2HE LYS 53 14.599 2.286 -0.082
391 HE3 LYS 53 3HE LYS 53 13.640 3.492 -0.940
392 HZ1 LYS 53 1HZ LYS 53 13.200 4.539 1.272
393 HZ2 LYS 53 2HZ LYS 53 14.377 3.555 1.925
394 HZ3 LYS 53 3HZ LYS 53 14.738 4.642 0.762
395 H ALA 54 H ALA 54 13.955 -1.476 4.668
396 HA ALA 54 HA ALA 54 16.665 -0.248 4.799
397 HB1 ALA 54 1HB ALA 54 14.313 0.285 6.663
398 HB2 ALA 54 2HB ALA 54 15.985 0.834 6.941
399 HB3 ALA 54 3HB ALA 54 15.064 1.443 5.554
Start of MODEL 7
1 H1 VAL 1 1H VAL 1 12.879 -2.508 20.194
2 H2 VAL 1 2H VAL 1 11.865 -2.904 18.955
3 H3 VAL 1 3H VAL 1 12.417 -1.372 19.102
4 HA VAL 1 HA VAL 1 14.684 -2.111 18.731
5 HB VAL 1 HB VAL 1 13.433 -4.760 17.924
6 HG11 VAL 1 1HG1 VAL 1 16.353 -3.936 18.172
7 HG12 VAL 1 2HG1 VAL 1 15.731 -5.513 17.656
8 HG13 VAL 1 3HG1 VAL 1 15.479 -4.098 16.635
9 HG21 VAL 1 1HG2 VAL 1 13.412 -4.694 20.349
10 HG22 VAL 1 2HG2 VAL 1 14.733 -5.721 19.817
11 HG23 VAL 1 3HG2 VAL 1 15.083 -4.083 20.394
12 H THR 2 H THR 2 12.246 -3.673 16.589
13 HA THR 2 HA THR 2 12.826 -1.668 14.476
14 HB THR 2 HB THR 2 13.119 -4.672 14.133
15 HG1 THR 2 HG1 THR 2 15.216 -4.221 13.882
16 HG21 THR 2 1HG2 THR 2 12.201 -3.684 12.065
17 HG22 THR 2 2HG2 THR 2 13.424 -2.390 12.118
18 HG23 THR 2 3HG2 THR 2 13.907 -4.076 11.840
19 H LYS 3 H LYS 3 11.109 -1.061 13.417
20 HA LYS 3 HA LYS 3 8.782 -2.819 13.070
21 HB2 LYS 3 2HB LYS 3 8.572 -1.439 15.243
22 HB3 LYS 3 3HB LYS 3 8.393 -0.018 14.208
23 HG2 LYS 3 2HG LYS 3 6.366 -0.995 13.196
24 HG3 LYS 3 3HG LYS 3 6.649 -2.522 14.059
25 HD2 LYS 3 2HD LYS 3 6.410 -1.276 16.233
26 HD3 LYS 3 3HD LYS 3 5.960 0.174 15.307
27 HE2 LYS 3 2HE LYS 3 4.042 -1.074 14.316
28 HE3 LYS 3 3HE LYS 3 4.547 -2.530 15.186
29 HZ1 LYS 3 1HZ LYS 3 3.588 -0.016 16.425
30 HZ2 LYS 3 2HZ LYS 3 2.821 -1.489 16.408
31 HZ3 LYS 3 3HZ LYS 3 4.196 -1.311 17.273
32 H LYS 4 H LYS 4 7.426 -2.165 11.330
33 HA LYS 4 HA LYS 4 8.710 -0.725 9.196
34 HB2 LYS 4 2HB LYS 4 6.993 -1.427 7.849
35 HB3 LYS 4 3HB LYS 4 7.085 -2.691 9.019
36 HG2 LYS 4 2HG LYS 4 4.942 -0.651 8.581
37 HG3 LYS 4 3HG LYS 4 4.853 -2.399 8.629
38 HD2 LYS 4 2HD LYS 4 5.238 -2.259 11.152
39 HD3 LYS 4 3HD LYS 4 5.075 -0.503 10.993
40 HE2 LYS 4 2HE LYS 4 2.918 -1.155 11.568
41 HE3 LYS 4 3HE LYS 4 2.825 -0.960 9.814
42 HZ1 LYS 4 1HZ LYS 4 1.784 -3.024 10.581
43 HZ2 LYS 4 2HZ LYS 4 3.031 -3.364 9.609
44 HZ3 LYS 4 3HZ LYS 4 3.191 -3.536 11.260
45 H ALA 5 H ALA 5 7.406 1.003 7.923
46 HA ALA 5 HA ALA 5 7.131 3.391 9.552
47 HB1 ALA 5 1HB ALA 5 6.381 2.888 6.635
48 HB2 ALA 5 2HB ALA 5 6.656 4.454 7.404
49 HB3 ALA 5 3HB ALA 5 8.010 3.342 7.201
50 H SER 6 H SER 6 5.119 4.604 9.941
51 HA SER 6 HA SER 6 2.710 2.924 10.168
52 HB2 SER 6 2HB SER 6 3.063 5.906 10.610
53 HB3 SER 6 3HB SER 6 1.651 4.936 11.068
54 HG SER 6 HG SER 6 3.706 5.424 12.526
55 H HIS 7 H HIS 7 0.648 3.485 9.163
56 HA HIS 7 HA HIS 7 0.532 3.949 6.399
57 HB2 HIS 7 2HB HIS 7 -1.854 4.313 6.800
58 HB3 HIS 7 3HB HIS 7 -1.259 2.987 7.774
59 HD2 HIS 7 HD2 HIS 7 -3.936 4.208 8.641
60 HE1 HIS 7 HE1 HIS 7 -1.841 6.227 11.752
61 HE2 HIS 7 HE2 HIS 7 -4.121 5.446 10.969
62 H LYS 8 H LYS 8 0.451 6.344 8.917
63 HA LYS 8 HA LYS 8 0.228 8.652 7.163
64 HB2 LYS 8 2HB LYS 8 -0.690 8.563 9.456
65 HB3 LYS 8 3HB LYS 8 0.938 8.428 10.116
66 HG2 LYS 8 2HG LYS 8 -0.027 10.691 10.345
67 HG3 LYS 8 3HG LYS 8 1.477 10.696 9.428
68 HD2 LYS 8 2HD LYS 8 0.213 10.876 7.305
69 HD3 LYS 8 3HD LYS 8 -1.313 10.775 8.198
70 HE2 LYS 8 2HE LYS 8 -0.816 12.886 9.341
71 HE3 LYS 8 3HE LYS 8 0.795 12.939 8.596
72 HZ1 LYS 8 1HZ LYS 8 -0.754 14.322 7.377
73 HZ2 LYS 8 2HZ LYS 8 -0.267 13.099 6.422
74 HZ3 LYS 8 3HZ LYS 8 -1.778 13.084 7.115
75 H ASP 9 H ASP 9 2.967 6.801 8.170
76 HA ASP 9 HA ASP 9 4.938 8.905 7.424
77 HB2 ASP 9 2HB ASP 9 5.242 5.967 8.131
78 HB3 ASP 9 3HB ASP 9 6.571 7.036 7.703
79 H ALA 10 H ALA 10 3.408 5.950 6.111
80 HA ALA 10 HA ALA 10 4.651 6.054 3.504
81 HB1 ALA 10 1HB ALA 10 3.639 4.024 4.449
82 HB2 ALA 10 2HB ALA 10 2.049 4.812 4.525
83 HB3 ALA 10 3HB ALA 10 2.791 4.475 2.956
84 H GLY 11 H GLY 11 1.865 7.687 4.915
85 HA2 GLY 11 2HA GLY 11 0.554 9.414 4.139
86 HA3 GLY 11 3HA GLY 11 1.600 9.573 2.714
87 H TYR 12 H TYR 12 -0.264 6.735 3.877
88 HA TYR 12 HA TYR 12 -0.832 5.839 1.337
89 HB2 TYR 12 2HB TYR 12 -2.128 4.178 2.236
90 HB3 TYR 12 3HB TYR 12 -0.912 4.520 3.442
91 HD1 TYR 12 HD1 TYR 12 -2.162 6.776 5.018
92 HD2 TYR 12 HD2 TYR 12 -3.911 3.227 3.297
93 HE1 TYR 12 HE1 TYR 12 -3.938 6.814 6.745
94 HE2 TYR 12 HE2 TYR 12 -5.711 3.291 5.025
95 HH TYR 12 HH TYR 12 -6.596 4.408 6.815
96 H GLN 13 H GLN 13 -2.203 6.209 -0.247
97 HA GLN 13 HA GLN 13 -4.794 7.454 0.018
98 HB2 GLN 13 2HB GLN 13 -4.234 9.491 -1.249
99 HB3 GLN 13 3HB GLN 13 -3.372 9.433 0.284
100 HG2 GLN 13 2HG GLN 13 -1.361 8.501 -1.049
101 HG3 GLN 13 3HG GLN 13 -2.245 8.937 -2.497
102 HE21 GLN 13 1HE2 GLN 13 -0.630 10.198 0.406
103 HE22 GLN 13 2HE2 GLN 13 -0.396 11.822 -0.274
104 H GLU 14 H GLU 14 -5.963 7.351 -2.010
105 HA GLU 14 HA GLU 14 -5.056 5.470 -4.016
106 HB2 GLU 14 2HB GLU 14 -7.469 7.312 -3.896
107 HB3 GLU 14 3HB GLU 14 -7.167 6.183 -5.220
108 HG2 GLU 14 2HG GLU 14 -7.171 4.281 -3.636
109 HG3 GLU 14 3HG GLU 14 -7.588 5.387 -2.322
110 H SER 15 H SER 15 -3.261 7.731 -3.737
111 HA SER 15 HA SER 15 -3.033 8.521 -6.609
112 HB2 SER 15 2HB SER 15 -2.487 10.326 -4.240
113 HB3 SER 15 3HB SER 15 -1.990 10.644 -5.901
114 HG SER 15 HG SER 15 -4.648 10.390 -4.885
115 HA PRO 16 HA PRO 16 0.484 5.769 -5.325
116 HB2 PRO 16 2HB PRO 16 0.394 5.787 -8.361
117 HB3 PRO 16 3HB PRO 16 0.907 4.458 -7.280
118 HG2 PRO 16 2HG PRO 16 -1.597 4.441 -8.234
119 HG3 PRO 16 3HG PRO 16 -1.350 4.152 -6.478
120 HD2 PRO 16 2HD PRO 16 -2.215 6.684 -7.878
121 HD3 PRO 16 3HD PRO 16 -2.822 5.956 -6.368
122 H ASN 17 H ASN 17 2.770 5.848 -5.630
123 HA ASN 17 HA ASN 17 3.838 8.545 -6.343
124 HB2 ASN 17 2HB ASN 17 4.463 7.531 -4.147
125 HB3 ASN 17 3HB ASN 17 5.123 6.142 -5.000
126 HD21 ASN 17 1HD2 ASN 17 7.178 6.443 -4.162
127 HD22 ASN 17 2HD2 ASN 17 8.231 7.734 -4.709
128 H GLY 18 H GLY 18 3.841 8.561 -8.606
129 HA2 GLY 18 2HA GLY 18 4.562 8.048 -10.768
130 HA3 GLY 18 3HA GLY 18 5.883 7.103 -10.062
131 H ALA 19 H ALA 19 5.782 4.920 -10.234
132 HA ALA 19 HA ALA 19 3.229 3.617 -11.054
133 HB1 ALA 19 1HB ALA 19 6.081 2.594 -11.232
134 HB2 ALA 19 2HB ALA 19 4.627 1.818 -11.889
135 HB3 ALA 19 3HB ALA 19 5.179 3.364 -12.556
136 H LYS 20 H LYS 20 4.981 4.096 -8.168
137 HA LYS 20 HA LYS 20 4.770 1.366 -7.147
138 HB2 LYS 20 2HB LYS 20 5.443 3.903 -5.622
139 HB3 LYS 20 3HB LYS 20 5.742 2.248 -5.112
140 HG2 LYS 20 2HG LYS 20 7.090 3.758 -7.380
141 HG3 LYS 20 3HG LYS 20 7.806 3.257 -5.854
142 HD2 LYS 20 2HD LYS 20 7.537 0.866 -6.526
143 HD3 LYS 20 3HD LYS 20 6.887 1.393 -8.095
144 HE2 LYS 20 2HE LYS 20 8.956 2.563 -8.629
145 HE3 LYS 20 3HE LYS 20 9.624 2.195 -7.035
146 HZ1 LYS 20 1HZ LYS 20 9.572 -0.162 -7.606
147 HZ2 LYS 20 2HZ LYS 20 8.941 0.152 -9.091
148 HZ3 LYS 20 3HZ LYS 20 10.452 0.650 -8.718
149 H ARG 21 H ARG 21 3.079 0.446 -6.380
150 HA ARG 21 HA ARG 21 1.174 1.730 -4.556
151 HB2 ARG 21 2HB ARG 21 -0.725 1.588 -5.888
152 HB3 ARG 21 3HB ARG 21 0.466 2.094 -7.070
153 HG2 ARG 21 2HG ARG 21 0.727 -0.532 -7.505
154 HG3 ARG 21 3HG ARG 21 -0.843 -0.600 -6.672
155 HD2 ARG 21 2HD ARG 21 -1.349 -0.512 -8.970
156 HD3 ARG 21 3HD ARG 21 -1.667 1.117 -8.366
157 HE ARG 21 HE ARG 21 0.916 0.383 -9.731
158 HH11 ARG 21 1HH1 ARG 21 -1.898 2.552 -9.724
159 HH12 ARG 21 2HH1 ARG 21 -1.226 3.456 -11.067
160 HH21 ARG 21 1HH2 ARG 21 1.540 1.465 -11.451
161 HH22 ARG 21 2HH2 ARG 21 0.776 2.986 -11.889
162 H CYS 22 H CYS 22 -0.447 0.000 -3.767
163 HA CYS 22 HA CYS 22 0.493 -2.379 -2.867
164 HB2 CYS 22 2HB CYS 22 -2.328 -1.846 -3.864
165 HB3 CYS 22 3HB CYS 22 -1.846 -2.927 -2.569
166 H GLY 23 H GLY 23 0.024 -4.641 -3.392
167 HA2 GLY 23 2HA GLY 23 -0.030 -6.503 -4.829
168 HA3 GLY 23 3HA GLY 23 -0.232 -5.455 -6.211
169 H THR 24 H THR 24 1.766 -3.987 -6.683
170 HA THR 24 HA THR 24 4.149 -5.673 -6.934
171 HB THR 24 HB THR 24 5.106 -3.658 -8.050
172 HG1 THR 24 HG1 THR 24 3.807 -1.897 -8.335
173 HG21 THR 24 1HG2 THR 24 2.320 -4.325 -9.091
174 HG22 THR 24 2HG2 THR 24 3.684 -3.667 -10.016
175 HG23 THR 24 3HG2 THR 24 3.770 -5.315 -9.371
176 H CYS 25 H CYS 25 3.163 -2.978 -4.876
177 HA CYS 25 HA CYS 25 5.374 -1.996 -3.736
178 HB2 CYS 25 2HB CYS 25 3.249 -1.255 -2.962
179 HB3 CYS 25 3HB CYS 25 2.776 -2.872 -2.435
180 H ARG 26 H ARG 26 6.869 -2.346 -2.243
181 HA ARG 26 HA ARG 26 7.944 -4.988 -1.838
182 HB2 ARG 26 2HB ARG 26 8.659 -2.392 -0.411
183 HB3 ARG 26 3HB ARG 26 9.661 -3.828 -0.512
184 HG2 ARG 26 2HG ARG 26 8.874 -2.107 -2.909
185 HG3 ARG 26 3HG ARG 26 10.380 -1.965 -2.019
186 HD2 ARG 26 2HD ARG 26 11.015 -4.261 -2.635
187 HD3 ARG 26 3HD ARG 26 9.473 -4.473 -3.464
188 HE ARG 26 HE ARG 26 10.120 -2.810 -5.117
189 HH11 ARG 26 1HH1 ARG 26 12.934 -3.623 -3.094
190 HH12 ARG 26 2HH1 ARG 26 13.978 -3.245 -4.460
191 HH21 ARG 26 1HH2 ARG 26 11.604 -2.419 -6.684
192 HH22 ARG 26 2HH2 ARG 26 13.309 -2.560 -6.253
193 H GLN 27 H GLN 27 5.496 -3.350 -0.099
194 HA GLN 27 HA GLN 27 5.717 -5.335 2.124
195 HB2 GLN 27 2HB GLN 27 4.840 -2.447 2.300
196 HB3 GLN 27 3HB GLN 27 4.790 -3.589 3.633
197 HG2 GLN 27 2HG GLN 27 7.329 -2.663 2.227
198 HG3 GLN 27 3HG GLN 27 6.688 -2.036 3.726
199 HE21 GLN 27 1HE2 GLN 27 9.036 -2.583 4.162
200 HE22 GLN 27 2HE2 GLN 27 9.291 -4.128 4.971
201 H PHE 28 H PHE 28 4.055 -5.066 -0.559
202 HA PHE 28 HA PHE 28 1.338 -5.270 0.438
203 HB2 PHE 28 2HB PHE 28 1.767 -4.718 -1.903
204 HB3 PHE 28 3HB PHE 28 2.561 -6.265 -2.149
205 HD1 PHE 28 HD1 PHE 28 -0.689 -4.785 -0.999
206 HD2 PHE 28 HD2 PHE 28 1.269 -8.152 -2.855
207 HE1 PHE 28 HE1 PHE 28 -2.897 -5.798 -1.491
208 HE2 PHE 28 HE2 PHE 28 -0.947 -9.147 -3.371
209 HZ PHE 28 HZ PHE 28 -3.025 -7.963 -2.705
210 H ARG 29 H ARG 29 0.082 -7.025 0.817
211 HA ARG 29 HA ARG 29 1.502 -9.557 1.543
212 HB2 ARG 29 2HB ARG 29 0.834 -7.662 3.297
213 HB3 ARG 29 3HB ARG 29 -0.754 -8.404 3.168
214 HG2 ARG 29 2HG ARG 29 0.301 -10.597 3.710
215 HG3 ARG 29 3HG ARG 29 1.844 -9.764 3.954
216 HD2 ARG 29 2HD ARG 29 0.916 -9.965 6.117
217 HD3 ARG 29 3HD ARG 29 0.623 -8.284 5.663
218 HE ARG 29 HE ARG 29 -1.543 -10.210 5.054
219 HH11 ARG 29 1HH1 ARG 29 -0.443 -7.831 7.434
220 HH12 ARG 29 2HH1 ARG 29 -2.015 -7.862 8.235
221 HH21 ARG 29 1HH2 ARG 29 -3.467 -10.077 6.138
222 HH22 ARG 29 2HH2 ARG 29 -3.588 -9.061 7.567
223 HA PRO 30 HA PRO 30 -1.804 -10.742 -1.372
224 HB2 PRO 30 2HB PRO 30 -0.303 -13.353 -1.059
225 HB3 PRO 30 3HB PRO 30 -1.033 -12.651 -2.539
226 HG2 PRO 30 2HG PRO 30 1.626 -12.417 -2.115
227 HG3 PRO 30 3HG PRO 30 0.693 -10.998 -2.697
228 HD2 PRO 30 2HD PRO 30 1.626 -11.610 0.116
229 HD3 PRO 30 3HD PRO 30 1.653 -10.062 -0.779
230 HA PRO 31 HA PRO 31 -3.372 -12.174 -2.268
231 HB2 PRO 31 2HB PRO 31 -6.052 -12.539 -2.296
232 HB3 PRO 31 3HB PRO 31 -4.889 -13.888 -2.115
233 HG2 PRO 31 2HG PRO 31 -6.414 -12.441 0.068
234 HG3 PRO 31 3HG PRO 31 -6.238 -14.206 -0.181
235 HD2 PRO 31 2HD PRO 31 -4.638 -12.793 1.562
236 HD3 PRO 31 3HD PRO 31 -4.038 -14.200 0.649
237 H SER 32 H SER 32 -5.097 -10.384 0.360
238 HA SER 32 HA SER 32 -5.268 -8.003 -1.430
239 HB2 SER 32 2HB SER 32 -7.602 -9.103 0.167
240 HB3 SER 32 3HB SER 32 -7.618 -7.686 -0.893
241 HG SER 32 HG SER 32 -7.443 -8.997 -2.677
242 H SER 33 H SER 33 -3.416 -8.317 0.710
243 HA SER 33 HA SER 33 -4.421 -6.455 2.826
244 HB2 SER 33 2HB SER 33 -3.033 -9.137 3.100
245 HB3 SER 33 3HB SER 33 -3.199 -7.979 4.415
246 HG SER 33 HG SER 33 -5.234 -9.373 3.010
247 H CYS 34 H CYS 34 -2.460 -5.901 4.353
248 HA CYS 34 HA CYS 34 -0.022 -5.204 2.759
249 HB2 CYS 34 2HB CYS 34 -1.596 -3.351 2.592
250 HB3 CYS 34 3HB CYS 34 -1.780 -3.301 4.351
251 H ILE 35 H ILE 35 1.818 -4.641 3.982
252 HA ILE 35 HA ILE 35 1.871 -5.617 6.818
253 HB ILE 35 HB ILE 35 4.048 -5.313 4.737
254 HG12 ILE 35 2HG1 ILE 35 3.036 -7.690 6.354
255 HG13 ILE 35 3HG1 ILE 35 2.631 -7.339 4.674
256 HG21 ILE 35 1HG2 ILE 35 4.425 -5.923 7.686
257 HG22 ILE 35 2HG2 ILE 35 5.685 -6.050 6.439
258 HG23 ILE 35 3HG2 ILE 35 5.019 -4.483 6.830
259 HD11 ILE 35 1HD1 ILE 35 5.360 -8.134 5.727
260 HD12 ILE 35 2HD1 ILE 35 4.280 -9.049 4.670
261 HD13 ILE 35 3HD1 ILE 35 5.040 -7.559 4.069
262 H THR 36 H THR 36 2.120 -2.673 4.880
263 HA THR 36 HA THR 36 3.349 -1.152 7.109
264 HB THR 36 HB THR 36 2.221 -0.031 4.544
265 HG1 THR 36 HG1 THR 36 3.740 -0.880 3.573
266 HG21 THR 36 1HG2 THR 36 3.913 1.722 4.863
267 HG22 THR 36 2HG2 THR 36 2.798 1.665 6.240
268 HG23 THR 36 3HG2 THR 36 4.422 0.961 6.384
269 H VAL 37 H VAL 37 0.187 -1.441 5.474
270 HA VAL 37 HA VAL 37 -1.005 0.279 7.590
271 HB VAL 37 HB VAL 37 -2.484 1.267 6.168
272 HG11 VAL 37 1HG1 VAL 37 -0.034 1.946 5.878
273 HG12 VAL 37 2HG1 VAL 37 -0.064 1.054 4.349
274 HG13 VAL 37 3HG1 VAL 37 -1.159 2.426 4.585
275 HG21 VAL 37 1HG2 VAL 37 -3.310 -0.596 4.853
276 HG22 VAL 37 2HG2 VAL 37 -2.787 0.724 3.792
277 HG23 VAL 37 3HG2 VAL 37 -1.761 -0.709 3.985
278 H GLU 38 H GLU 38 -3.335 -0.127 8.089
279 HA GLU 38 HA GLU 38 -3.541 -2.839 8.926
280 HB2 GLU 38 2HB GLU 38 -4.483 -0.664 9.996
281 HB3 GLU 38 3HB GLU 38 -5.837 -0.846 8.881
282 HG2 GLU 38 2HG GLU 38 -6.417 -1.786 11.030
283 HG3 GLU 38 3HG GLU 38 -6.277 -3.112 9.871
284 H SER 39 H SER 39 -4.677 -4.573 8.221
285 HA SER 39 HA SER 39 -5.697 -4.470 5.453
286 HB2 SER 39 2HB SER 39 -4.903 -6.783 7.252
287 HB3 SER 39 3HB SER 39 -5.453 -6.943 5.576
288 HG SER 39 HG SER 39 -3.150 -5.645 6.577
289 HA PRO 40 HA PRO 40 -6.898 -6.366 4.117
290 HB2 PRO 40 2HB PRO 40 -9.666 -5.688 3.225
291 HB3 PRO 40 3HB PRO 40 -8.691 -7.151 2.889
292 HG2 PRO 40 2HG PRO 40 -10.752 -7.216 4.654
293 HG3 PRO 40 3HG PRO 40 -9.221 -8.078 5.025
294 HD2 PRO 40 2HD PRO 40 -10.110 -5.330 5.964
295 HD3 PRO 40 3HD PRO 40 -9.454 -6.688 6.928
296 H ILE 41 H ILE 41 -6.760 -5.277 1.955
297 HA ILE 41 HA ILE 41 -7.339 -2.361 1.994
298 HB ILE 41 HB ILE 41 -5.237 -1.748 1.106
299 HG12 ILE 41 2HG1 ILE 41 -3.859 -4.349 1.667
300 HG13 ILE 41 3HG1 ILE 41 -4.667 -4.165 0.120
301 HG21 ILE 41 1HG2 ILE 41 -4.781 -3.349 3.650
302 HG22 ILE 41 2HG2 ILE 41 -3.835 -1.977 3.075
303 HG23 ILE 41 3HG2 ILE 41 -5.525 -1.741 3.556
304 HD11 ILE 41 1HD1 ILE 41 -2.287 -3.513 0.026
305 HD12 ILE 41 2HD1 ILE 41 -3.419 -2.251 -0.494
306 HD13 ILE 41 3HD1 ILE 41 -2.645 -2.144 1.097
307 H SER 42 H SER 42 -6.888 -1.352 -0.192
308 HA SER 42 HA SER 42 -8.245 -2.872 -2.312
309 HB2 SER 42 2HB SER 42 -8.577 -0.390 -1.788
310 HB3 SER 42 3HB SER 42 -7.007 -0.107 -2.546
311 HG SER 42 HG SER 42 -8.815 0.094 -3.969
312 H GLU 43 H GLU 43 -6.941 -4.507 -3.004
313 HA GLU 43 HA GLU 43 -4.138 -4.523 -3.129
314 HB2 GLU 43 2HB GLU 43 -4.361 -6.616 -4.316
315 HB3 GLU 43 3HB GLU 43 -5.580 -6.504 -3.045
316 HG2 GLU 43 2HG GLU 43 -7.249 -5.788 -4.820
317 HG3 GLU 43 3HG GLU 43 -6.015 -6.138 -6.038
318 H ASN 44 H ASN 44 -6.275 -3.126 -5.508
319 HA ASN 44 HA ASN 44 -4.261 -3.105 -7.635
320 HB2 ASN 44 2HB ASN 44 -6.964 -1.732 -7.357
321 HB3 ASN 44 3HB ASN 44 -5.928 -1.617 -8.775
322 HD21 ASN 44 1HD2 ASN 44 -7.890 -3.827 -6.868
323 HD22 ASN 44 2HD2 ASN 44 -8.025 -5.055 -8.121
324 H GLY 45 H GLY 45 -4.659 -1.153 -4.817
325 HA2 GLY 45 2HA GLY 45 -2.500 0.372 -4.815
326 HA3 GLY 45 3HA GLY 45 -3.380 1.234 -6.074
327 H TRP 46 H TRP 46 -3.571 0.185 -2.673
328 HA TRP 46 HA TRP 46 -5.575 2.218 -1.922
329 HB2 TRP 46 2HB TRP 46 -5.469 -0.122 -1.006
330 HB3 TRP 46 3HB TRP 46 -3.895 0.228 -0.344
331 HD1 TRP 46 HD1 TRP 46 -4.100 0.262 2.101
332 HE1 TRP 46 HE1 TRP 46 -5.710 1.160 3.899
333 HE3 TRP 46 HE3 TRP 46 -7.626 2.358 -0.975
334 HZ2 TRP 46 HZ2 TRP 46 -8.127 2.743 3.966
335 HZ3 TRP 46 HZ3 TRP 46 -9.550 3.587 -0.010
336 HH2 TRP 46 HH2 TRP 46 -9.805 3.801 2.447
337 H CYS 47 H CYS 47 -2.164 1.909 -2.054
338 HA CYS 47 HA CYS 47 -1.610 4.442 -0.604
339 HB2 CYS 47 2HB CYS 47 -1.383 2.562 0.959
340 HB3 CYS 47 3HB CYS 47 -0.528 1.674 -0.256
341 H ARG 48 H ARG 48 1.008 4.394 -0.682
342 HA ARG 48 HA ARG 48 1.797 4.510 -3.559
343 HB2 ARG 48 2HB ARG 48 2.346 6.877 -3.414
344 HB3 ARG 48 3HB ARG 48 0.633 6.619 -3.105
345 HG2 ARG 48 2HG ARG 48 0.955 6.953 -0.708
346 HG3 ARG 48 3HG ARG 48 2.709 7.059 -0.903
347 HD2 ARG 48 2HD ARG 48 0.746 8.980 -2.222
348 HD3 ARG 48 3HD ARG 48 1.495 9.257 -0.650
349 HE ARG 48 HE ARG 48 3.665 9.413 -1.662
350 HH11 ARG 48 1HH1 ARG 48 1.123 9.436 -4.183
351 HH12 ARG 48 2HH1 ARG 48 2.214 10.301 -5.249
352 HH21 ARG 48 1HH2 ARG 48 4.880 10.344 -3.166
353 HH22 ARG 48 2HH2 ARG 48 4.179 10.811 -4.727
354 H LEU 49 H LEU 49 2.869 4.055 -0.285
355 HA LEU 49 HA LEU 49 5.629 3.817 -1.256
356 HB2 LEU 49 2HB LEU 49 5.350 6.261 -0.775
357 HB3 LEU 49 3HB LEU 49 4.919 5.861 0.884
358 HG LEU 49 HG LEU 49 7.203 4.832 1.183
359 HD11 LEU 49 1HD1 LEU 49 7.721 6.015 -1.577
360 HD12 LEU 49 2HD1 LEU 49 8.963 5.405 -0.462
361 HD13 LEU 49 3HD1 LEU 49 7.784 4.288 -1.139
362 HD21 LEU 49 1HD2 LEU 49 6.735 7.157 1.859
363 HD22 LEU 49 2HD2 LEU 49 8.404 6.963 1.298
364 HD23 LEU 49 3HD2 LEU 49 7.194 7.723 0.239
365 H TYR 50 H TYR 50 5.804 1.763 -0.651
366 HA TYR 50 HA TYR 50 5.183 0.413 1.709
367 HB2 TYR 50 2HB TYR 50 7.627 -0.619 1.173
368 HB3 TYR 50 3HB TYR 50 6.209 -1.040 0.292
369 HD1 TYR 50 HD1 TYR 50 9.377 0.850 0.204
370 HD2 TYR 50 HD2 TYR 50 5.864 -0.270 -2.030
371 HE1 TYR 50 HE1 TYR 50 10.503 1.526 -1.900
372 HE2 TYR 50 HE2 TYR 50 7.021 0.345 -4.154
373 HH TYR 50 HH TYR 50 10.295 1.787 -4.167
374 H ALA 51 H ALA 51 6.177 0.091 3.713
375 HA ALA 51 HA ALA 51 8.170 1.936 4.715
376 HB1 ALA 51 1HB ALA 51 7.498 -0.909 5.586
377 HB2 ALA 51 2HB ALA 51 8.445 0.272 6.507
378 HB3 ALA 51 3HB ALA 51 6.711 0.561 6.185
379 H GLY 52 H GLY 52 10.322 2.009 4.105
380 HA2 GLY 52 2HA GLY 52 11.401 0.495 2.039
381 HA3 GLY 52 3HA GLY 52 12.359 1.419 3.200
382 H LYS 53 H LYS 53 11.779 -1.635 1.954
383 HA LYS 53 HA LYS 53 12.042 -3.207 4.379
384 HB2 LYS 53 2HB LYS 53 10.609 -3.795 2.414
385 HB3 LYS 53 3HB LYS 53 12.065 -4.103 1.464
386 HG2 LYS 53 2HG LYS 53 12.714 -5.929 2.867
387 HG3 LYS 53 3HG LYS 53 11.524 -5.497 4.110
388 HD2 LYS 53 2HD LYS 53 9.683 -6.086 2.618
389 HD3 LYS 53 3HD LYS 53 10.829 -6.496 1.322
390 HE2 LYS 53 2HE LYS 53 11.847 -8.234 2.734
391 HE3 LYS 53 3HE LYS 53 10.782 -7.809 4.082
392 HZ1 LYS 53 1HZ LYS 53 9.837 -8.834 1.462
393 HZ2 LYS 53 2HZ LYS 53 9.994 -9.743 2.840
394 HZ3 LYS 53 3HZ LYS 53 8.896 -8.522 2.760
395 H ALA 54 H ALA 54 13.721 -4.323 5.161
396 HA ALA 54 HA ALA 54 16.351 -4.337 3.785
397 HB1 ALA 54 1HB ALA 54 15.792 -3.180 6.551
398 HB2 ALA 54 2HB ALA 54 17.410 -3.465 5.875
399 HB3 ALA 54 3HB ALA 54 16.329 -2.286 5.115
Start of MODEL 8
1 H1 VAL 1 1H VAL 1 9.874 -5.957 18.684
2 H2 VAL 1 2H VAL 1 9.876 -6.102 17.037
3 H3 VAL 1 3H VAL 1 9.209 -4.786 17.752
4 HA VAL 1 HA VAL 1 11.317 -4.090 18.638
5 HB VAL 1 HB VAL 1 12.636 -6.171 16.866
6 HG11 VAL 1 1HG1 VAL 1 13.691 -4.332 19.048
7 HG12 VAL 1 2HG1 VAL 1 14.640 -5.495 18.100
8 HG13 VAL 1 3HG1 VAL 1 13.916 -4.100 17.297
9 HG21 VAL 1 1HG2 VAL 1 12.292 -6.270 19.895
10 HG22 VAL 1 2HG2 VAL 1 11.599 -7.420 18.720
11 HG23 VAL 1 3HG2 VAL 1 13.342 -7.315 18.929
12 H THR 2 H THR 2 11.111 -5.405 15.280
13 HA THR 2 HA THR 2 11.817 -2.921 13.984
14 HB THR 2 HB THR 2 10.229 -5.320 12.982
15 HG1 THR 2 HG1 THR 2 12.081 -6.229 12.582
16 HG21 THR 2 1HG2 THR 2 11.151 -4.731 10.757
17 HG22 THR 2 2HG2 THR 2 10.086 -3.460 11.365
18 HG23 THR 2 3HG2 THR 2 11.854 -3.250 11.433
19 H LYS 3 H LYS 3 10.405 -1.341 13.022
20 HA LYS 3 HA LYS 3 7.480 -1.680 13.399
21 HB2 LYS 3 2HB LYS 3 8.505 -0.538 15.460
22 HB3 LYS 3 3HB LYS 3 8.917 0.815 14.423
23 HG2 LYS 3 2HG LYS 3 6.869 1.289 15.629
24 HG3 LYS 3 3HG LYS 3 6.480 1.138 13.910
25 HD2 LYS 3 2HD LYS 3 5.566 -1.091 14.248
26 HD3 LYS 3 3HD LYS 3 6.199 -1.152 15.904
27 HE2 LYS 3 2HE LYS 3 4.664 0.625 16.595
28 HE3 LYS 3 3HE LYS 3 4.063 0.793 14.933
29 HZ1 LYS 3 1HZ LYS 3 3.233 -1.463 15.039
30 HZ2 LYS 3 2HZ LYS 3 3.904 -1.725 16.504
31 HZ3 LYS 3 3HZ LYS 3 2.650 -0.685 16.362
32 H LYS 4 H LYS 4 6.442 -1.098 11.571
33 HA LYS 4 HA LYS 4 7.920 0.567 9.609
34 HB2 LYS 4 2HB LYS 4 5.335 -0.945 9.157
35 HB3 LYS 4 3HB LYS 4 6.332 -0.155 7.948
36 HG2 LYS 4 2HG LYS 4 6.952 -2.671 9.516
37 HG3 LYS 4 3HG LYS 4 6.720 -2.501 7.783
38 HD2 LYS 4 2HD LYS 4 9.097 -1.490 9.404
39 HD3 LYS 4 3HD LYS 4 9.072 -2.887 8.333
40 HE2 LYS 4 2HE LYS 4 8.728 -1.452 6.373
41 HE3 LYS 4 3HE LYS 4 8.603 -0.020 7.411
42 HZ1 LYS 4 1HZ LYS 4 10.891 -0.443 8.142
43 HZ2 LYS 4 2HZ LYS 4 10.999 -1.736 7.155
44 HZ3 LYS 4 3HZ LYS 4 10.852 -0.242 6.494
45 H ALA 5 H ALA 5 6.785 2.174 8.389
46 HA ALA 5 HA ALA 5 5.864 4.256 9.987
47 HB1 ALA 5 1HB ALA 5 5.468 3.916 6.993
48 HB2 ALA 5 2HB ALA 5 5.670 5.435 7.906
49 HB3 ALA 5 3HB ALA 5 7.025 4.327 7.762
50 H SER 6 H SER 6 3.884 5.594 9.696
51 HA SER 6 HA SER 6 1.633 4.053 10.597
52 HB2 SER 6 2HB SER 6 1.807 7.027 10.058
53 HB3 SER 6 3HB SER 6 0.613 6.184 11.068
54 HG SER 6 HG SER 6 2.459 7.194 12.153
55 H HIS 7 H HIS 7 -0.525 4.105 9.880
56 HA HIS 7 HA HIS 7 -0.355 2.994 7.270
57 HB2 HIS 7 2HB HIS 7 -2.924 3.188 8.818
58 HB3 HIS 7 3HB HIS 7 -2.411 1.910 7.758
59 HD2 HIS 7 HD2 HIS 7 0.478 1.292 9.186
60 HE1 HIS 7 HE1 HIS 7 -1.858 0.527 12.667
61 HE2 HIS 7 HE2 HIS 7 0.408 0.167 11.563
62 H LYS 8 H LYS 8 -1.415 6.143 7.951
63 HA LYS 8 HA LYS 8 -2.525 6.301 5.166
64 HB2 LYS 8 2HB LYS 8 -4.032 6.669 7.511
65 HB3 LYS 8 3HB LYS 8 -3.648 8.307 7.010
66 HG2 LYS 8 2HG LYS 8 -4.949 6.163 5.282
67 HG3 LYS 8 3HG LYS 8 -5.807 7.447 6.145
68 HD2 LYS 8 2HD LYS 8 -4.556 9.149 4.801
69 HD3 LYS 8 3HD LYS 8 -3.836 7.843 3.855
70 HE2 LYS 8 2HE LYS 8 -6.794 8.547 4.063
71 HE3 LYS 8 3HE LYS 8 -5.728 8.821 2.681
72 HZ1 LYS 8 1HZ LYS 8 -6.750 6.257 3.690
73 HZ2 LYS 8 2HZ LYS 8 -6.878 6.880 2.169
74 HZ3 LYS 8 3HZ LYS 8 -5.422 6.315 2.696
75 H ASP 9 H ASP 9 -0.544 7.789 7.643
76 HA ASP 9 HA ASP 9 0.034 10.209 6.120
77 HB2 ASP 9 2HB ASP 9 1.304 8.894 8.548
78 HB3 ASP 9 3HB ASP 9 1.873 10.414 7.858
79 H ALA 10 H ALA 10 1.847 7.172 6.711
80 HA ALA 10 HA ALA 10 3.486 7.646 4.222
81 HB1 ALA 10 1HB ALA 10 3.881 5.756 6.551
82 HB2 ALA 10 2HB ALA 10 4.970 5.948 5.154
83 HB3 ALA 10 3HB ALA 10 4.774 7.281 6.312
84 H GLY 11 H GLY 11 1.167 5.547 5.730
85 HA2 GLY 11 2HA GLY 11 1.088 3.500 3.746
86 HA3 GLY 11 3HA GLY 11 -0.098 3.857 4.978
87 H TYR 12 H TYR 12 -1.816 3.338 3.558
88 HA TYR 12 HA TYR 12 -1.538 3.918 0.873
89 HB2 TYR 12 2HB TYR 12 -3.124 2.443 0.461
90 HB3 TYR 12 3HB TYR 12 -2.857 2.015 2.132
91 HD1 TYR 12 HD1 TYR 12 -5.133 3.556 -0.311
92 HD2 TYR 12 HD2 TYR 12 -4.573 2.634 3.867
93 HE1 TYR 12 HE1 TYR 12 -7.521 4.071 0.117
94 HE2 TYR 12 HE2 TYR 12 -6.974 3.175 4.300
95 HH TYR 12 HH TYR 12 -9.150 4.348 1.712
96 H GLN 13 H GLN 13 -2.264 5.401 -0.576
97 HA GLN 13 HA GLN 13 -4.092 7.590 0.329
98 HB2 GLN 13 2HB GLN 13 -1.181 7.733 -0.507
99 HB3 GLN 13 3HB GLN 13 -2.255 9.124 -0.699
100 HG2 GLN 13 2HG GLN 13 -2.706 9.229 1.675
101 HG3 GLN 13 3HG GLN 13 -1.896 7.702 1.971
102 HE21 GLN 13 1HE2 GLN 13 0.255 7.696 2.412
103 HE22 GLN 13 2HE2 GLN 13 1.187 9.198 2.500
104 H GLU 14 H GLU 14 -5.342 8.477 -1.222
105 HA GLU 14 HA GLU 14 -5.678 6.686 -3.435
106 HB2 GLU 14 2HB GLU 14 -7.406 9.077 -2.725
107 HB3 GLU 14 3HB GLU 14 -7.821 7.721 -3.747
108 HG2 GLU 14 2HG GLU 14 -8.909 7.170 -1.809
109 HG3 GLU 14 3HG GLU 14 -7.446 6.196 -1.711
110 H SER 15 H SER 15 -3.452 8.752 -3.707
111 HA SER 15 HA SER 15 -3.994 9.281 -6.597
112 HB2 SER 15 2HB SER 15 -2.691 11.272 -4.717
113 HB3 SER 15 3HB SER 15 -2.691 11.373 -6.487
114 HG SER 15 HG SER 15 -5.045 11.332 -6.352
115 HA PRO 16 HA PRO 16 -0.488 6.520 -5.672
116 HB2 PRO 16 2HB PRO 16 -1.135 5.671 -8.505
117 HB3 PRO 16 3HB PRO 16 -0.624 4.650 -7.130
118 HG2 PRO 16 2HG PRO 16 -3.235 4.793 -7.746
119 HG3 PRO 16 3HG PRO 16 -2.750 4.988 -6.027
120 HD2 PRO 16 2HD PRO 16 -3.385 7.149 -8.059
121 HD3 PRO 16 3HD PRO 16 -3.975 6.970 -6.384
122 H ASN 17 H ASN 17 1.588 5.917 -6.575
123 HA ASN 17 HA ASN 17 3.065 7.861 -8.200
124 HB2 ASN 17 2HB ASN 17 4.175 6.683 -6.407
125 HB3 ASN 17 3HB ASN 17 3.635 5.118 -7.013
126 HD21 ASN 17 1HD2 ASN 17 5.787 7.873 -7.743
127 HD22 ASN 17 2HD2 ASN 17 6.947 6.850 -8.603
128 H GLY 18 H GLY 18 3.934 7.404 -10.333
129 HA2 GLY 18 2HA GLY 18 2.009 6.170 -12.109
130 HA3 GLY 18 3HA GLY 18 3.525 6.927 -12.547
131 H ALA 19 H ALA 19 4.834 4.811 -10.553
132 HA ALA 19 HA ALA 19 4.990 2.641 -12.596
133 HB1 ALA 19 1HB ALA 19 7.041 3.616 -10.575
134 HB2 ALA 19 2HB ALA 19 7.277 2.323 -11.769
135 HB3 ALA 19 3HB ALA 19 7.008 3.987 -12.312
136 H LYS 20 H LYS 20 4.570 3.137 -9.079
137 HA LYS 20 HA LYS 20 3.871 0.232 -8.755
138 HB2 LYS 20 2HB LYS 20 5.646 1.816 -6.896
139 HB3 LYS 20 3HB LYS 20 5.034 0.183 -6.628
140 HG2 LYS 20 2HG LYS 20 6.275 -0.564 -8.713
141 HG3 LYS 20 3HG LYS 20 7.024 1.051 -8.760
142 HD2 LYS 20 2HD LYS 20 7.725 0.676 -6.354
143 HD3 LYS 20 3HD LYS 20 7.200 -0.997 -6.499
144 HE2 LYS 20 2HE LYS 20 9.387 0.356 -8.149
145 HE3 LYS 20 3HE LYS 20 9.640 -0.678 -6.745
146 HZ1 LYS 20 1HZ LYS 20 8.634 -1.489 -9.397
147 HZ2 LYS 20 2HZ LYS 20 9.919 -2.068 -8.568
148 HZ3 LYS 20 3HZ LYS 20 8.382 -2.437 -8.091
149 H ARG 21 H ARG 21 2.546 -0.347 -7.161
150 HA ARG 21 HA ARG 21 1.522 1.488 -5.138
151 HB2 ARG 21 2HB ARG 21 -0.800 1.321 -5.663
152 HB3 ARG 21 3HB ARG 21 -0.004 1.792 -7.156
153 HG2 ARG 21 2HG ARG 21 0.029 -0.951 -7.410
154 HG3 ARG 21 3HG ARG 21 -1.392 -0.745 -6.380
155 HD2 ARG 21 2HD ARG 21 -2.208 -0.704 -8.635
156 HD3 ARG 21 3HD ARG 21 -2.180 0.992 -8.154
157 HE ARG 21 HE ARG 21 -0.374 1.385 -9.642
158 HH11 ARG 21 1HH1 ARG 21 -0.824 -2.119 -9.465
159 HH12 ARG 21 2HH1 ARG 21 0.278 -2.373 -10.797
160 HH21 ARG 21 1HH2 ARG 21 0.976 0.991 -11.199
161 HH22 ARG 21 2HH2 ARG 21 1.279 -0.637 -11.791
162 H CYS 22 H CYS 22 -0.312 -0.029 -3.894
163 HA CYS 22 HA CYS 22 0.773 -2.380 -2.843
164 HB2 CYS 22 2HB CYS 22 -2.172 -1.744 -3.278
165 HB3 CYS 22 3HB CYS 22 -1.449 -2.638 -1.952
166 H GLY 23 H GLY 23 -0.517 -4.616 -3.111
167 HA2 GLY 23 2HA GLY 23 -1.048 -6.445 -4.481
168 HA3 GLY 23 3HA GLY 23 -1.123 -5.374 -5.868
169 H THR 24 H THR 24 1.292 -4.276 -6.102
170 HA THR 24 HA THR 24 3.438 -6.293 -5.746
171 HB THR 24 HB THR 24 3.162 -4.866 -8.404
172 HG1 THR 24 HG1 THR 24 1.472 -6.218 -8.359
173 HG21 THR 24 1HG2 THR 24 4.656 -7.422 -7.666
174 HG22 THR 24 2HG2 THR 24 4.821 -6.436 -9.142
175 HG23 THR 24 3HG2 THR 24 5.420 -5.831 -7.601
176 H CYS 25 H CYS 25 3.514 -4.577 -3.936
177 HA CYS 25 HA CYS 25 5.307 -2.321 -4.718
178 HB2 CYS 25 2HB CYS 25 4.771 -1.245 -2.768
179 HB3 CYS 25 3HB CYS 25 3.247 -2.013 -3.119
180 H ARG 26 H ARG 26 6.986 -2.103 -2.615
181 HA ARG 26 HA ARG 26 8.881 -4.199 -3.001
182 HB2 ARG 26 2HB ARG 26 9.379 -1.839 -2.307
183 HB3 ARG 26 3HB ARG 26 8.702 -2.190 -0.725
184 HG2 ARG 26 2HG ARG 26 11.087 -2.233 -0.590
185 HG3 ARG 26 3HG ARG 26 10.480 -3.861 -0.316
186 HD2 ARG 26 2HD ARG 26 11.003 -4.346 -2.783
187 HD3 ARG 26 3HD ARG 26 11.744 -2.744 -2.855
188 HE ARG 26 HE ARG 26 13.516 -3.445 -1.521
189 HH11 ARG 26 1HH1 ARG 26 11.368 -6.191 -2.101
190 HH12 ARG 26 2HH1 ARG 26 12.418 -7.262 -1.173
191 HH21 ARG 26 1HH2 ARG 26 14.667 -4.931 -0.257
192 HH22 ARG 26 2HH2 ARG 26 14.132 -6.620 -0.265
193 H GLN 27 H GLN 27 6.179 -4.141 -0.776
194 HA GLN 27 HA GLN 27 6.950 -6.943 -0.167
195 HB2 GLN 27 2HB GLN 27 5.864 -5.093 1.984
196 HB3 GLN 27 3HB GLN 27 5.922 -6.857 2.070
197 HG2 GLN 27 2HG GLN 27 8.451 -6.630 1.575
198 HG3 GLN 27 3HG GLN 27 8.272 -4.939 2.002
199 HE21 GLN 27 1HE2 GLN 27 9.085 -7.955 3.225
200 HE22 GLN 27 2HE2 GLN 27 8.750 -7.627 4.927
201 H PHE 28 H PHE 28 4.056 -4.828 0.313
202 HA PHE 28 HA PHE 28 1.882 -5.393 0.460
203 HB2 PHE 28 2HB PHE 28 2.159 -5.303 -1.977
204 HB3 PHE 28 3HB PHE 28 2.463 -7.033 -2.022
205 HD1 PHE 28 HD1 PHE 28 -0.151 -4.618 -0.753
206 HD2 PHE 28 HD2 PHE 28 0.660 -8.474 -2.487
207 HE1 PHE 28 HE1 PHE 28 -2.573 -4.949 -1.134
208 HE2 PHE 28 HE2 PHE 28 -1.770 -8.809 -2.857
209 HZ PHE 28 HZ PHE 28 -3.376 -7.027 -2.234
210 H ARG 29 H ARG 29 0.161 -7.221 0.675
211 HA ARG 29 HA ARG 29 1.328 -9.796 1.551
212 HB2 ARG 29 2HB ARG 29 1.139 -8.212 3.519
213 HB3 ARG 29 3HB ARG 29 -0.598 -8.222 3.290
214 HG2 ARG 29 2HG ARG 29 -0.024 -9.741 5.043
215 HG3 ARG 29 3HG ARG 29 -0.654 -10.650 3.665
216 HD2 ARG 29 2HD ARG 29 1.617 -11.335 3.028
217 HD3 ARG 29 3HD ARG 29 2.317 -10.225 4.225
218 HE ARG 29 HE ARG 29 0.506 -12.192 5.396
219 HH11 ARG 29 1HH1 ARG 29 3.832 -11.877 4.317
220 HH12 ARG 29 2HH1 ARG 29 4.411 -12.843 5.647
221 HH21 ARG 29 1HH2 ARG 29 1.207 -13.629 6.704
222 HH22 ARG 29 2HH2 ARG 29 2.832 -14.285 6.573
223 HA PRO 30 HA PRO 30 -2.170 -10.432 -1.168
224 HB2 PRO 30 2HB PRO 30 -1.802 -13.081 -1.841
225 HB3 PRO 30 3HB PRO 30 -0.871 -11.717 -2.531
226 HG2 PRO 30 2HG PRO 30 -0.098 -13.522 -0.221
227 HG3 PRO 30 3HG PRO 30 0.898 -13.052 -1.636
228 HD2 PRO 30 2HD PRO 30 1.128 -11.796 0.753
229 HD3 PRO 30 3HD PRO 30 1.232 -10.857 -0.770
230 HA PRO 31 HA PRO 31 -3.846 -11.657 -2.331
231 HB2 PRO 31 2HB PRO 31 -6.558 -11.516 -2.429
232 HB3 PRO 31 3HB PRO 31 -5.663 -13.065 -2.378
233 HG2 PRO 31 2HG PRO 31 -6.953 -11.566 -0.075
234 HG3 PRO 31 3HG PRO 31 -7.124 -13.302 -0.495
235 HD2 PRO 31 2HD PRO 31 -5.354 -12.465 1.388
236 HD3 PRO 31 3HD PRO 31 -4.948 -13.797 0.277
237 H SER 32 H SER 32 -5.297 -9.820 0.401
238 HA SER 32 HA SER 32 -5.233 -7.301 -1.196
239 HB2 SER 32 2HB SER 32 -7.639 -8.429 0.248
240 HB3 SER 32 3HB SER 32 -7.545 -6.847 -0.551
241 HG SER 32 HG SER 32 -8.530 -8.407 -1.865
242 H SER 33 H SER 33 -3.393 -7.909 0.865
243 HA SER 33 HA SER 33 -4.153 -6.016 3.052
244 HB2 SER 33 2HB SER 33 -2.981 -8.807 3.301
245 HB3 SER 33 3HB SER 33 -2.952 -7.614 4.598
246 HG SER 33 HG SER 33 -5.247 -8.741 3.362
247 H CYS 34 H CYS 34 -2.108 -5.629 4.470
248 HA CYS 34 HA CYS 34 0.404 -5.479 2.860
249 HB2 CYS 34 2HB CYS 34 -0.904 -3.422 2.596
250 HB3 CYS 34 3HB CYS 34 -0.985 -3.240 4.352
251 H ILE 35 H ILE 35 2.229 -4.809 4.148
252 HA ILE 35 HA ILE 35 2.270 -5.932 6.934
253 HB ILE 35 HB ILE 35 4.498 -5.638 4.888
254 HG12 ILE 35 2HG1 ILE 35 3.314 -8.065 6.327
255 HG13 ILE 35 3HG1 ILE 35 2.987 -7.606 4.659
256 HG21 ILE 35 1HG2 ILE 35 4.698 -6.429 7.830
257 HG22 ILE 35 2HG2 ILE 35 6.005 -6.592 6.643
258 HG23 ILE 35 3HG2 ILE 35 5.427 -4.998 7.069
259 HD11 ILE 35 1HD1 ILE 35 5.651 -8.576 5.745
260 HD12 ILE 35 2HD1 ILE 35 4.560 -9.402 4.632
261 HD13 ILE 35 3HD1 ILE 35 5.401 -7.933 4.104
262 H THR 36 H THR 36 2.856 -3.053 4.936
263 HA THR 36 HA THR 36 3.854 -1.423 7.147
264 HB THR 36 HB THR 36 2.549 -0.545 4.540
265 HG1 THR 36 HG1 THR 36 4.365 -0.819 3.633
266 HG21 THR 36 1HG2 THR 36 4.467 0.908 6.418
267 HG22 THR 36 2HG2 THR 36 3.802 1.532 4.889
268 HG23 THR 36 3HG2 THR 36 2.734 1.260 6.266
269 H VAL 37 H VAL 37 0.717 -1.740 5.390
270 HA VAL 37 HA VAL 37 -0.487 -0.027 7.487
271 HB VAL 37 HB VAL 37 -2.081 0.701 5.930
272 HG11 VAL 37 1HG1 VAL 37 0.567 0.618 4.426
273 HG12 VAL 37 2HG1 VAL 37 -0.709 1.825 4.330
274 HG13 VAL 37 3HG1 VAL 37 0.273 1.667 5.814
275 HG21 VAL 37 1HG2 VAL 37 -2.370 -1.455 4.637
276 HG22 VAL 37 2HG2 VAL 37 -2.300 0.038 3.675
277 HG23 VAL 37 3HG2 VAL 37 -0.895 -1.014 3.745
278 H GLU 38 H GLU 38 -2.416 -0.315 8.471
279 HA GLU 38 HA GLU 38 -3.094 -2.949 9.220
280 HB2 GLU 38 2HB GLU 38 -3.320 -0.895 10.518
281 HB3 GLU 38 3HB GLU 38 -4.692 -0.387 9.528
282 HG2 GLU 38 2HG GLU 38 -5.953 -2.410 10.271
283 HG3 GLU 38 3HG GLU 38 -4.557 -2.925 11.226
284 H SER 39 H SER 39 -4.652 -4.343 8.653
285 HA SER 39 HA SER 39 -5.653 -3.928 5.871
286 HB2 SER 39 2HB SER 39 -3.998 -6.086 7.210
287 HB3 SER 39 3HB SER 39 -4.785 -6.327 5.648
288 HG SER 39 HG SER 39 -2.940 -4.225 6.263
289 HA PRO 40 HA PRO 40 -6.376 -5.962 4.295
290 HB2 PRO 40 2HB PRO 40 -8.670 -6.201 2.870
291 HB3 PRO 40 3HB PRO 40 -7.995 -7.528 3.861
292 HG2 PRO 40 2HG PRO 40 -10.143 -5.527 4.655
293 HG3 PRO 40 3HG PRO 40 -10.215 -7.319 4.758
294 HD2 PRO 40 2HD PRO 40 -9.518 -5.805 6.901
295 HD3 PRO 40 3HD PRO 40 -8.703 -7.362 6.578
296 H ILE 41 H ILE 41 -6.622 -4.841 2.243
297 HA ILE 41 HA ILE 41 -7.453 -1.997 2.408
298 HB ILE 41 HB ILE 41 -5.326 -1.218 1.623
299 HG12 ILE 41 2HG1 ILE 41 -4.063 -3.964 1.963
300 HG13 ILE 41 3HG1 ILE 41 -4.637 -3.400 0.402
301 HG21 ILE 41 1HG2 ILE 41 -4.474 -2.866 3.984
302 HG22 ILE 41 2HG2 ILE 41 -4.265 -1.135 3.610
303 HG23 ILE 41 3HG2 ILE 41 -5.808 -1.726 4.160
304 HD11 ILE 41 1HD1 ILE 41 -2.535 -1.975 2.053
305 HD12 ILE 41 2HD1 ILE 41 -2.255 -2.976 0.615
306 HD13 ILE 41 3HD1 ILE 41 -3.154 -1.454 0.476
307 H SER 42 H SER 42 -6.952 -0.869 0.285
308 HA SER 42 HA SER 42 -7.944 -2.205 -2.089
309 HB2 SER 42 2HB SER 42 -7.996 0.275 -1.650
310 HB3 SER 42 3HB SER 42 -6.250 0.307 -1.770
311 HG SER 42 HG SER 42 -7.269 0.899 -3.709
312 H GLU 43 H GLU 43 -6.827 -3.529 -3.490
313 HA GLU 43 HA GLU 43 -3.916 -3.819 -3.339
314 HB2 GLU 43 2HB GLU 43 -4.129 -5.341 -5.208
315 HB3 GLU 43 3HB GLU 43 -5.214 -5.762 -3.881
316 HG2 GLU 43 2HG GLU 43 -7.131 -4.863 -5.037
317 HG3 GLU 43 3HG GLU 43 -6.122 -4.177 -6.316
318 H ASN 44 H ASN 44 -5.799 -1.407 -4.647
319 HA ASN 44 HA ASN 44 -3.582 -0.513 -6.431
320 HB2 ASN 44 2HB ASN 44 -6.526 0.239 -6.418
321 HB3 ASN 44 3HB ASN 44 -5.299 1.101 -7.337
322 HD21 ASN 44 1HD2 ASN 44 -7.008 -1.985 -7.065
323 HD22 ASN 44 2HD2 ASN 44 -6.358 -2.652 -8.572
324 H GLY 45 H GLY 45 -4.187 -0.330 -3.286
325 HA2 GLY 45 2HA GLY 45 -4.897 2.142 -2.451
326 HA3 GLY 45 3HA GLY 45 -3.747 1.117 -1.589
327 H TRP 46 H TRP 46 -1.504 1.260 -2.798
328 HA TRP 46 HA TRP 46 0.439 2.296 -3.213
329 HB2 TRP 46 2HB TRP 46 -0.464 3.525 -5.107
330 HB3 TRP 46 3HB TRP 46 -1.169 4.713 -4.007
331 HD1 TRP 46 HD1 TRP 46 2.302 3.356 -4.911
332 HE1 TRP 46 HE1 TRP 46 4.099 5.007 -4.311
333 HE3 TRP 46 HE3 TRP 46 -0.641 7.022 -2.916
334 HZ2 TRP 46 HZ2 TRP 46 4.286 7.686 -3.211
335 HZ3 TRP 46 HZ3 TRP 46 0.395 9.085 -1.992
336 HH2 TRP 46 HH2 TRP 46 2.859 9.423 -2.122
337 H CYS 47 H CYS 47 1.951 2.965 -1.831
338 HA CYS 47 HA CYS 47 1.354 5.294 -0.109
339 HB2 CYS 47 2HB CYS 47 1.738 4.183 1.826
340 HB3 CYS 47 3HB CYS 47 1.047 2.869 0.932
341 H ARG 48 H ARG 48 3.299 6.016 1.068
342 HA ARG 48 HA ARG 48 5.608 6.157 -0.800
343 HB2 ARG 48 2HB ARG 48 6.260 8.220 0.277
344 HB3 ARG 48 3HB ARG 48 4.624 8.296 -0.365
345 HG2 ARG 48 2HG ARG 48 3.667 8.043 1.877
346 HG3 ARG 48 3HG ARG 48 5.292 7.833 2.583
347 HD2 ARG 48 2HD ARG 48 5.936 10.069 1.877
348 HD3 ARG 48 3HD ARG 48 4.413 10.273 0.999
349 HE ARG 48 HE ARG 48 3.523 9.848 3.564
350 HH11 ARG 48 1HH1 ARG 48 5.918 12.085 2.381
351 HH12 ARG 48 2HH1 ARG 48 5.280 13.408 3.322
352 HH21 ARG 48 1HH2 ARG 48 2.779 11.477 4.718
353 HH22 ARG 48 2HH2 ARG 48 3.479 13.072 4.599
354 H LEU 49 H LEU 49 4.949 4.067 1.433
355 HA LEU 49 HA LEU 49 7.649 4.115 2.665
356 HB2 LEU 49 2HB LEU 49 5.451 3.708 3.958
357 HB3 LEU 49 3HB LEU 49 5.434 2.115 3.228
358 HG LEU 49 HG LEU 49 6.330 2.266 5.558
359 HD11 LEU 49 1HD1 LEU 49 8.421 1.224 3.625
360 HD12 LEU 49 2HD1 LEU 49 8.205 0.783 5.316
361 HD13 LEU 49 3HD1 LEU 49 6.958 0.354 4.132
362 HD21 LEU 49 1HD2 LEU 49 7.563 4.453 5.213
363 HD22 LEU 49 2HD2 LEU 49 8.459 3.192 6.067
364 HD23 LEU 49 3HD2 LEU 49 8.834 3.524 4.380
365 H TYR 50 H TYR 50 5.589 1.855 0.755
366 HA TYR 50 HA TYR 50 8.116 0.612 -0.278
367 HB2 TYR 50 2HB TYR 50 5.468 -0.594 0.483
368 HB3 TYR 50 3HB TYR 50 6.598 -1.456 -0.510
369 HD1 TYR 50 HD1 TYR 50 9.202 -0.420 1.106
370 HD2 TYR 50 HD2 TYR 50 5.465 -2.328 2.134
371 HE1 TYR 50 HE1 TYR 50 10.296 -1.535 3.008
372 HE2 TYR 50 HE2 TYR 50 6.560 -3.406 4.070
373 HH TYR 50 HH TYR 50 8.561 -3.967 4.957
374 H ALA 51 H ALA 51 5.707 2.550 -1.496
375 HA ALA 51 HA ALA 51 6.474 1.596 -4.215
376 HB1 ALA 51 1HB ALA 51 3.678 2.327 -3.271
377 HB2 ALA 51 2HB ALA 51 4.141 1.984 -4.953
378 HB3 ALA 51 3HB ALA 51 4.245 0.711 -3.732
379 H GLY 52 H GLY 52 7.211 4.024 -2.358
380 HA2 GLY 52 2HA GLY 52 6.507 6.221 -4.315
381 HA3 GLY 52 3HA GLY 52 6.690 6.451 -2.586
382 H LYS 53 H LYS 53 9.181 4.686 -2.546
383 HA LYS 53 HA LYS 53 11.015 6.897 -3.231
384 HB2 LYS 53 2HB LYS 53 11.575 4.334 -1.704
385 HB3 LYS 53 3HB LYS 53 12.636 5.728 -1.831
386 HG2 LYS 53 2HG LYS 53 9.941 5.608 -0.408
387 HG3 LYS 53 3HG LYS 53 11.524 5.661 0.343
388 HD2 LYS 53 2HD LYS 53 10.253 7.925 -1.271
389 HD3 LYS 53 3HD LYS 53 10.354 7.800 0.485
390 HE2 LYS 53 2HE LYS 53 12.885 7.662 0.238
391 HE3 LYS 53 3HE LYS 53 12.690 8.120 -1.456
392 HZ1 LYS 53 1HZ LYS 53 11.690 9.696 0.858
393 HZ2 LYS 53 2HZ LYS 53 13.101 10.004 0.124
394 HZ3 LYS 53 3HZ LYS 53 11.691 10.201 -0.717
395 H ALA 54 H ALA 54 12.903 6.702 -4.404
396 HA ALA 54 HA ALA 54 12.876 4.761 -6.623
397 HB1 ALA 54 1HB ALA 54 14.698 7.141 -6.054
398 HB2 ALA 54 2HB ALA 54 14.676 6.165 -7.534
399 HB3 ALA 54 3HB ALA 54 13.264 7.148 -7.109
Start of MODEL 9
1 H1 VAL 1 1H VAL 1 2.762 -10.330 17.081
2 H2 VAL 1 2H VAL 1 3.905 -10.418 18.248
3 H3 VAL 1 3H VAL 1 4.060 -11.320 16.898
4 HA VAL 1 HA VAL 1 5.484 -9.248 17.037
5 HB VAL 1 HB VAL 1 5.074 -8.597 14.654
6 HG11 VAL 1 1HG1 VAL 1 6.652 -10.363 15.363
7 HG12 VAL 1 2HG1 VAL 1 5.366 -11.581 15.218
8 HG13 VAL 1 3HG1 VAL 1 5.927 -10.704 13.786
9 HG21 VAL 1 1HG2 VAL 1 2.619 -9.127 14.534
10 HG22 VAL 1 2HG2 VAL 1 3.579 -9.911 13.272
11 HG23 VAL 1 3HG2 VAL 1 3.008 -10.851 14.654
12 H THR 2 H THR 2 5.587 -6.992 16.752
13 HA THR 2 HA THR 2 3.446 -5.530 18.030
14 HB THR 2 HB THR 2 4.797 -3.539 17.650
15 HG1 THR 2 HG1 THR 2 6.506 -5.268 16.178
16 HG21 THR 2 1HG2 THR 2 5.427 -5.049 19.508
17 HG22 THR 2 2HG2 THR 2 6.598 -5.864 18.457
18 HG23 THR 2 3HG2 THR 2 6.804 -4.151 18.875
19 H LYS 3 H LYS 3 2.128 -3.870 17.236
20 HA LYS 3 HA LYS 3 0.777 -4.596 14.853
21 HB2 LYS 3 2HB LYS 3 -0.050 -3.416 17.030
22 HB3 LYS 3 3HB LYS 3 0.445 -1.925 16.238
23 HG2 LYS 3 2HG LYS 3 -1.110 -2.665 14.281
24 HG3 LYS 3 3HG LYS 3 -1.693 -3.927 15.393
25 HD2 LYS 3 2HD LYS 3 -2.040 -1.959 17.072
26 HD3 LYS 3 3HD LYS 3 -1.833 -0.913 15.663
27 HE2 LYS 3 2HE LYS 3 -3.975 -3.064 15.989
28 HE3 LYS 3 3HE LYS 3 -4.210 -1.335 16.292
29 HZ1 LYS 3 1HZ LYS 3 -3.500 -2.533 13.677
30 HZ2 LYS 3 2HZ LYS 3 -4.961 -1.946 14.078
31 HZ3 LYS 3 3HZ LYS 3 -3.662 -0.919 13.952
32 H LYS 4 H LYS 4 0.596 -3.725 12.823
33 HA LYS 4 HA LYS 4 2.821 -2.078 11.844
34 HB2 LYS 4 2HB LYS 4 0.363 -3.050 10.330
35 HB3 LYS 4 3HB LYS 4 1.826 -2.371 9.633
36 HG2 LYS 4 2HG LYS 4 1.437 -5.071 10.930
37 HG3 LYS 4 3HG LYS 4 1.994 -4.698 9.305
38 HD2 LYS 4 2HD LYS 4 3.549 -4.379 11.901
39 HD3 LYS 4 3HD LYS 4 3.823 -5.551 10.615
40 HE2 LYS 4 2HE LYS 4 4.518 -3.821 9.071
41 HE3 LYS 4 3HE LYS 4 4.084 -2.549 10.213
42 HZ1 LYS 4 1HZ LYS 4 6.156 -4.593 10.733
43 HZ2 LYS 4 2HZ LYS 4 6.494 -3.107 10.169
44 HZ3 LYS 4 3HZ LYS 4 5.820 -3.266 11.668
45 H ALA 5 H ALA 5 2.740 -0.139 10.752
46 HA ALA 5 HA ALA 5 1.269 1.902 12.060
47 HB1 ALA 5 1HB ALA 5 2.785 1.964 9.412
48 HB2 ALA 5 2HB ALA 5 2.387 3.363 10.432
49 HB3 ALA 5 3HB ALA 5 3.523 2.142 11.024
50 H SER 6 H SER 6 -0.302 3.409 11.231
51 HA SER 6 HA SER 6 -2.315 2.216 9.526
52 HB2 SER 6 2HB SER 6 -2.705 5.063 9.718
53 HB3 SER 6 3HB SER 6 -3.701 3.745 10.286
54 HG SER 6 HG SER 6 -1.544 5.026 11.632
55 H HIS 7 H HIS 7 -3.003 2.827 7.462
56 HA HIS 7 HA HIS 7 -1.361 3.316 5.347
57 HB2 HIS 7 2HB HIS 7 -3.366 4.045 4.152
58 HB3 HIS 7 3HB HIS 7 -3.755 2.731 5.238
59 HD2 HIS 7 HD2 HIS 7 -5.169 3.434 7.544
60 HE1 HIS 7 HE1 HIS 7 -6.466 7.225 6.116
61 HE2 HIS 7 HE2 HIS 7 -6.748 5.485 7.961
62 H LYS 8 H LYS 8 -2.925 5.897 7.093
63 HA LYS 8 HA LYS 8 -1.693 8.106 5.752
64 HB2 LYS 8 2HB LYS 8 -2.702 9.497 7.528
65 HB3 LYS 8 3HB LYS 8 -3.810 8.429 6.702
66 HG2 LYS 8 2HG LYS 8 -4.342 8.599 9.054
67 HG3 LYS 8 3HG LYS 8 -3.937 6.936 8.640
68 HD2 LYS 8 2HD LYS 8 -1.849 7.054 9.769
69 HD3 LYS 8 3HD LYS 8 -1.868 8.811 9.821
70 HE2 LYS 8 2HE LYS 8 -3.921 8.580 11.368
71 HE3 LYS 8 3HE LYS 8 -3.597 6.842 11.396
72 HZ1 LYS 8 1HZ LYS 8 -2.542 7.822 13.273
73 HZ2 LYS 8 2HZ LYS 8 -1.323 7.434 12.228
74 HZ3 LYS 8 3HZ LYS 8 -1.806 8.991 12.390
75 H ASP 9 H ASP 9 -0.332 6.165 8.245
76 HA ASP 9 HA ASP 9 1.711 8.189 9.004
77 HB2 ASP 9 2HB ASP 9 1.368 5.271 9.783
78 HB3 ASP 9 3HB ASP 9 2.593 6.368 10.415
79 H ALA 10 H ALA 10 1.157 5.620 6.719
80 HA ALA 10 HA ALA 10 3.976 5.547 5.835
81 HB1 ALA 10 1HB ALA 10 1.525 3.999 4.916
82 HB2 ALA 10 2HB ALA 10 3.220 3.637 4.534
83 HB3 ALA 10 3HB ALA 10 2.642 3.474 6.196
84 H GLY 11 H GLY 11 1.082 7.274 4.963
85 HA2 GLY 11 2HA GLY 11 1.022 9.078 3.439
86 HA3 GLY 11 3HA GLY 11 2.500 8.502 2.674
87 H TYR 12 H TYR 12 -0.043 6.186 3.089
88 HA TYR 12 HA TYR 12 -0.267 5.483 0.337
89 HB2 TYR 12 2HB TYR 12 -0.594 3.926 2.097
90 HB3 TYR 12 3HB TYR 12 -1.762 4.943 2.886
91 HD1 TYR 12 HD1 TYR 12 -4.073 5.215 2.007
92 HD2 TYR 12 HD2 TYR 12 -1.327 2.197 0.589
93 HE1 TYR 12 HE1 TYR 12 -5.982 3.750 1.399
94 HE2 TYR 12 HE2 TYR 12 -3.241 0.771 -0.068
95 HH TYR 12 HH TYR 12 -6.615 1.871 0.396
96 H GLN 13 H GLN 13 -1.778 5.843 -1.234
97 HA GLN 13 HA GLN 13 -3.450 8.287 -0.984
98 HB2 GLN 13 2HB GLN 13 -2.696 6.975 -3.583
99 HB3 GLN 13 3HB GLN 13 -3.061 8.658 -3.255
100 HG2 GLN 13 2HG GLN 13 -0.840 8.856 -2.080
101 HG3 GLN 13 3HG GLN 13 -0.474 7.203 -2.584
102 HE21 GLN 13 1HE2 GLN 13 -1.318 7.066 -5.251
103 HE22 GLN 13 2HE2 GLN 13 -0.628 8.377 -6.182
104 H GLU 14 H GLU 14 -5.205 8.125 -3.015
105 HA GLU 14 HA GLU 14 -6.742 5.589 -2.644
106 HB2 GLU 14 2HB GLU 14 -7.595 8.393 -3.382
107 HB3 GLU 14 3HB GLU 14 -8.586 7.007 -3.812
108 HG2 GLU 14 2HG GLU 14 -8.410 6.264 -1.353
109 HG3 GLU 14 3HG GLU 14 -7.787 7.883 -1.025
110 H SER 15 H SER 15 -4.402 6.384 -4.713
111 HA SER 15 HA SER 15 -5.305 4.428 -6.640
112 HB2 SER 15 2HB SER 15 -5.167 7.357 -7.416
113 HB3 SER 15 3HB SER 15 -4.865 6.087 -8.615
114 HG SER 15 HG SER 15 -7.113 5.884 -6.948
115 HA PRO 16 HA PRO 16 -0.991 3.762 -7.042
116 HB2 PRO 16 2HB PRO 16 -1.198 3.382 -9.997
117 HB3 PRO 16 3HB PRO 16 -0.640 2.236 -8.756
118 HG2 PRO 16 2HG PRO 16 -3.066 1.932 -9.941
119 HG3 PRO 16 3HG PRO 16 -2.849 1.615 -8.190
120 HD2 PRO 16 2HD PRO 16 -3.899 4.127 -9.527
121 HD3 PRO 16 3HD PRO 16 -4.595 3.211 -8.161
122 H ASN 17 H ASN 17 1.044 4.673 -7.674
123 HA ASN 17 HA ASN 17 0.798 7.456 -8.711
124 HB2 ASN 17 2HB ASN 17 1.748 6.928 -6.413
125 HB3 ASN 17 3HB ASN 17 3.154 6.249 -7.226
126 HD21 ASN 17 1HD2 ASN 17 1.427 9.192 -6.404
127 HD22 ASN 17 2HD2 ASN 17 2.593 10.303 -7.097
128 H GLY 18 H GLY 18 0.443 6.189 -10.855
129 HA2 GLY 18 2HA GLY 18 1.286 5.711 -12.991
130 HA3 GLY 18 3HA GLY 18 2.898 6.161 -12.447
131 H ALA 19 H ALA 19 4.244 4.476 -12.667
132 HA ALA 19 HA ALA 19 3.389 1.774 -12.972
133 HB1 ALA 19 1HB ALA 19 6.198 2.916 -12.682
134 HB2 ALA 19 2HB ALA 19 5.754 1.358 -13.411
135 HB3 ALA 19 3HB ALA 19 5.255 2.865 -14.189
136 H LYS 20 H LYS 20 2.931 2.859 -10.153
137 HA LYS 20 HA LYS 20 3.994 0.589 -8.629
138 HB2 LYS 20 2HB LYS 20 4.961 2.002 -6.840
139 HB3 LYS 20 3HB LYS 20 5.828 2.050 -8.350
140 HG2 LYS 20 2HG LYS 20 4.297 4.222 -8.782
141 HG3 LYS 20 3HG LYS 20 4.143 4.188 -7.046
142 HD2 LYS 20 2HD LYS 20 5.888 5.717 -7.676
143 HD3 LYS 20 3HD LYS 20 6.674 4.330 -6.898
144 HE2 LYS 20 2HE LYS 20 7.420 3.441 -8.985
145 HE3 LYS 20 3HE LYS 20 6.313 4.470 -9.915
146 HZ1 LYS 20 1HZ LYS 20 7.638 6.379 -9.398
147 HZ2 LYS 20 2HZ LYS 20 8.595 5.529 -8.345
148 HZ3 LYS 20 3HZ LYS 20 8.660 5.222 -9.942
149 H ARG 21 H ARG 21 2.797 -0.029 -6.978
150 HA ARG 21 HA ARG 21 0.350 1.385 -6.060
151 HB2 ARG 21 2HB ARG 21 -1.202 -0.011 -7.051
152 HB3 ARG 21 3HB ARG 21 -0.016 0.026 -8.345
153 HG2 ARG 21 2HG ARG 21 0.932 -2.154 -7.360
154 HG3 ARG 21 3HG ARG 21 -0.492 -2.184 -6.302
155 HD2 ARG 21 2HD ARG 21 -1.948 -2.128 -8.328
156 HD3 ARG 21 3HD ARG 21 -0.495 -2.251 -9.326
157 HE ARG 21 HE ARG 21 -0.026 -4.457 -8.312
158 HH11 ARG 21 1HH1 ARG 21 -3.273 -3.391 -7.566
159 HH12 ARG 21 2HH1 ARG 21 -3.893 -5.024 -7.675
160 HH21 ARG 21 1HH2 ARG 21 -0.935 -6.510 -8.276
161 HH22 ARG 21 2HH2 ARG 21 -2.653 -6.658 -7.984
162 H CYS 22 H CYS 22 -0.824 0.079 -4.398
163 HA CYS 22 HA CYS 22 0.905 -1.325 -2.591
164 HB2 CYS 22 2HB CYS 22 -2.123 -1.179 -2.854
165 HB3 CYS 22 3HB CYS 22 -1.294 -2.044 -1.563
166 H GLY 23 H GLY 23 2.018 -2.931 -3.624
167 HA2 GLY 23 2HA GLY 23 1.616 -5.519 -3.867
168 HA3 GLY 23 3HA GLY 23 0.554 -5.018 -5.185
169 H THR 24 H THR 24 2.432 -2.754 -5.857
170 HA THR 24 HA THR 24 5.020 -3.997 -6.136
171 HB THR 24 HB THR 24 4.191 -4.549 -8.302
172 HG1 THR 24 HG1 THR 24 6.318 -4.170 -8.032
173 HG21 THR 24 1HG2 THR 24 4.098 -1.602 -9.025
174 HG22 THR 24 2HG2 THR 24 3.802 -2.996 -10.061
175 HG23 THR 24 3HG2 THR 24 2.654 -2.616 -8.773
176 H CYS 25 H CYS 25 5.618 -2.838 -4.557
177 HA CYS 25 HA CYS 25 5.953 0.122 -4.704
178 HB2 CYS 25 2HB CYS 25 5.184 0.161 -2.290
179 HB3 CYS 25 3HB CYS 25 3.921 -0.298 -3.417
180 H ARG 26 H ARG 26 6.495 -2.143 -2.153
181 HA ARG 26 HA ARG 26 8.662 -3.233 -3.812
182 HB2 ARG 26 2HB ARG 26 9.732 -2.860 -1.657
183 HB3 ARG 26 3HB ARG 26 8.497 -3.829 -0.846
184 HG2 ARG 26 2HG ARG 26 9.139 -5.816 -2.122
185 HG3 ARG 26 3HG ARG 26 10.266 -4.879 -3.112
186 HD2 ARG 26 2HD ARG 26 10.530 -5.172 -0.096
187 HD3 ARG 26 3HD ARG 26 11.254 -6.286 -1.272
188 HE ARG 26 HE ARG 26 11.943 -3.476 -1.758
189 HH11 ARG 26 1HH1 ARG 26 13.010 -6.358 0.008
190 HH12 ARG 26 2HH1 ARG 26 14.684 -5.819 -0.125
191 HH21 ARG 26 1HH2 ARG 26 14.018 -2.953 -1.796
192 HH22 ARG 26 2HH2 ARG 26 15.223 -4.025 -1.082
193 H GLN 27 H GLN 27 6.629 -4.853 -1.350
194 HA GLN 27 HA GLN 27 4.708 -5.748 -3.347
195 HB2 GLN 27 2HB GLN 27 6.629 -7.777 -2.102
196 HB3 GLN 27 3HB GLN 27 5.053 -8.182 -2.751
197 HG2 GLN 27 2HG GLN 27 6.198 -8.689 -4.593
198 HG3 GLN 27 3HG GLN 27 5.995 -6.989 -4.957
199 HE21 GLN 27 1HE2 GLN 27 8.298 -9.524 -3.930
200 HE22 GLN 27 2HE2 GLN 27 9.731 -8.536 -4.161
201 H PHE 28 H PHE 28 2.786 -5.794 -2.343
202 HA PHE 28 HA PHE 28 2.427 -5.684 0.465
203 HB2 PHE 28 2HB PHE 28 0.285 -5.177 0.006
204 HB3 PHE 28 3HB PHE 28 1.047 -4.717 -1.495
205 HD1 PHE 28 HD1 PHE 28 1.178 -7.459 -2.903
206 HD2 PHE 28 HD2 PHE 28 -1.924 -5.489 -0.634
207 HE1 PHE 28 HE1 PHE 28 -0.547 -8.567 -4.281
208 HE2 PHE 28 HE2 PHE 28 -3.644 -6.670 -1.971
209 HZ PHE 28 HZ PHE 28 -2.961 -8.166 -3.833
210 H ARG 29 H ARG 29 0.094 -7.168 0.906
211 HA ARG 29 HA ARG 29 1.142 -9.950 1.229
212 HB2 ARG 29 2HB ARG 29 1.519 -8.326 3.162
213 HB3 ARG 29 3HB ARG 29 -0.213 -8.275 3.368
214 HG2 ARG 29 2HG ARG 29 0.737 -9.780 4.952
215 HG3 ARG 29 3HG ARG 29 -0.226 -10.696 3.796
216 HD2 ARG 29 2HD ARG 29 1.809 -11.510 2.680
217 HD3 ARG 29 3HD ARG 29 2.795 -10.339 3.538
218 HE ARG 29 HE ARG 29 3.054 -11.795 5.241
219 HH11 ARG 29 1HH1 ARG 29 0.195 -12.893 3.534
220 HH12 ARG 29 2HH1 ARG 29 -0.176 -14.111 4.717
221 HH21 ARG 29 1HH2 ARG 29 2.768 -13.612 6.478
222 HH22 ARG 29 2HH2 ARG 29 1.329 -14.579 6.329
223 HA PRO 30 HA PRO 30 -2.983 -9.615 -0.909
224 HB2 PRO 30 2HB PRO 30 -2.751 -11.978 -2.410
225 HB3 PRO 30 3HB PRO 30 -2.195 -10.365 -2.916
226 HG2 PRO 30 2HG PRO 30 -0.603 -12.568 -1.592
227 HG3 PRO 30 3HG PRO 30 -0.145 -11.565 -3.009
228 HD2 PRO 30 2HD PRO 30 0.808 -10.951 -0.582
229 HD3 PRO 30 3HD PRO 30 0.227 -9.651 -1.640
230 HA PRO 31 HA PRO 31 -4.863 -10.640 -2.037
231 HB2 PRO 31 2HB PRO 31 -7.523 -10.846 -1.617
232 HB3 PRO 31 3HB PRO 31 -6.517 -12.254 -2.071
233 HG2 PRO 31 2HG PRO 31 -7.400 -11.426 0.716
234 HG3 PRO 31 3HG PRO 31 -7.557 -13.038 -0.055
235 HD2 PRO 31 2HD PRO 31 -5.473 -12.421 1.601
236 HD3 PRO 31 3HD PRO 31 -5.255 -13.478 0.179
237 H SER 32 H SER 32 -5.425 -9.667 1.314
238 HA SER 32 HA SER 32 -6.248 -6.919 0.427
239 HB2 SER 32 2HB SER 32 -7.646 -8.594 2.566
240 HB3 SER 32 3HB SER 32 -8.135 -6.990 2.003
241 HG SER 32 HG SER 32 -8.731 -7.843 0.067
242 H SER 33 H SER 33 -3.742 -8.022 1.818
243 HA SER 33 HA SER 33 -3.789 -6.045 4.045
244 HB2 SER 33 2HB SER 33 -2.291 -8.663 4.268
245 HB3 SER 33 3HB SER 33 -2.656 -7.470 5.522
246 HG SER 33 HG SER 33 -4.323 -9.341 4.244
247 H CYS 34 H CYS 34 -1.558 -5.466 4.807
248 HA CYS 34 HA CYS 34 0.471 -5.503 2.626
249 HB2 CYS 34 2HB CYS 34 -0.521 -3.354 2.439
250 HB3 CYS 34 3HB CYS 34 -0.538 -3.109 4.186
251 H ILE 35 H ILE 35 2.620 -4.970 3.438
252 HA ILE 35 HA ILE 35 3.192 -6.584 5.874
253 HB ILE 35 HB ILE 35 5.132 -5.561 3.784
254 HG12 ILE 35 2HG1 ILE 35 3.742 -8.266 3.965
255 HG13 ILE 35 3HG1 ILE 35 3.542 -7.057 2.687
256 HG21 ILE 35 1HG2 ILE 35 5.429 -7.672 5.967
257 HG22 ILE 35 2HG2 ILE 35 6.645 -7.337 4.713
258 HG23 ILE 35 3HG2 ILE 35 6.263 -6.102 5.867
259 HD11 ILE 35 1HD1 ILE 35 6.032 -7.363 2.181
260 HD12 ILE 35 2HD1 ILE 35 5.933 -8.836 3.177
261 HD13 ILE 35 3HD1 ILE 35 4.927 -8.671 1.732
262 H THR 36 H THR 36 3.117 -3.246 4.820
263 HA THR 36 HA THR 36 4.384 -2.459 7.427
264 HB THR 36 HB THR 36 5.706 -2.006 5.276
265 HG1 THR 36 HG1 THR 36 6.236 0.119 6.232
266 HG21 THR 36 1HG2 THR 36 3.984 0.497 5.217
267 HG22 THR 36 2HG2 THR 36 5.289 0.024 4.107
268 HG23 THR 36 3HG2 THR 36 3.756 -0.856 4.102
269 H VAL 37 H VAL 37 1.627 -2.012 5.302
270 HA VAL 37 HA VAL 37 0.498 -0.019 7.211
271 HB VAL 37 HB VAL 37 -0.139 -0.673 4.332
272 HG11 VAL 37 1HG1 VAL 37 -1.797 0.994 6.259
273 HG12 VAL 37 2HG1 VAL 37 -1.949 1.042 4.482
274 HG13 VAL 37 3HG1 VAL 37 -2.330 -0.436 5.357
275 HG21 VAL 37 1HG2 VAL 37 1.666 0.941 4.735
276 HG22 VAL 37 2HG2 VAL 37 0.254 1.783 4.103
277 HG23 VAL 37 3HG2 VAL 37 0.626 1.868 5.843
278 H GLU 38 H GLU 38 -1.218 -0.422 8.434
279 HA GLU 38 HA GLU 38 -2.078 -3.101 8.898
280 HB2 GLU 38 2HB GLU 38 -1.948 -1.392 10.623
281 HB3 GLU 38 3HB GLU 38 -3.200 -0.450 9.823
282 HG2 GLU 38 2HG GLU 38 -4.174 -1.591 11.690
283 HG3 GLU 38 3HG GLU 38 -4.834 -2.300 10.232
284 H SER 39 H SER 39 -3.858 -4.231 8.461
285 HA SER 39 HA SER 39 -5.270 -3.559 5.979
286 HB2 SER 39 2HB SER 39 -5.687 -6.024 5.953
287 HB3 SER 39 3HB SER 39 -3.987 -5.586 6.127
288 HG SER 39 HG SER 39 -5.780 -6.598 8.052
289 HA PRO 40 HA PRO 40 -7.252 -5.147 5.016
290 HB2 PRO 40 2HB PRO 40 -9.615 -4.380 3.941
291 HB3 PRO 40 3HB PRO 40 -9.465 -5.713 5.126
292 HG2 PRO 40 2HG PRO 40 -10.228 -2.823 5.674
293 HG3 PRO 40 3HG PRO 40 -11.065 -4.311 6.217
294 HD2 PRO 40 2HD PRO 40 -9.301 -2.996 7.821
295 HD3 PRO 40 3HD PRO 40 -9.400 -4.778 7.808
296 H ILE 41 H ILE 41 -6.632 -4.388 3.027
297 HA ILE 41 HA ILE 41 -6.411 -1.429 2.665
298 HB ILE 41 HB ILE 41 -4.332 -2.785 3.456
299 HG12 ILE 41 2HG1 ILE 41 -4.166 -0.896 1.089
300 HG13 ILE 41 3HG1 ILE 41 -4.322 -0.433 2.787
301 HG21 ILE 41 1HG2 ILE 41 -4.048 -3.357 0.477
302 HG22 ILE 41 2HG2 ILE 41 -2.985 -3.866 1.793
303 HG23 ILE 41 3HG2 ILE 41 -4.599 -4.569 1.644
304 HD11 ILE 41 1HD1 ILE 41 -1.944 -1.748 1.443
305 HD12 ILE 41 2HD1 ILE 41 -2.051 -0.156 2.209
306 HD13 ILE 41 3HD1 ILE 41 -2.127 -1.614 3.215
307 H SER 42 H SER 42 -6.010 -0.724 0.403
308 HA SER 42 HA SER 42 -7.401 -2.398 -1.634
309 HB2 SER 42 2HB SER 42 -7.777 0.166 -1.289
310 HB3 SER 42 3HB SER 42 -6.245 0.338 -2.136
311 HG SER 42 HG SER 42 -8.465 0.100 -3.315
312 H GLU 43 H GLU 43 -6.250 -3.354 -3.289
313 HA GLU 43 HA GLU 43 -3.349 -3.302 -3.273
314 HB2 GLU 43 2HB GLU 43 -3.474 -4.853 -5.128
315 HB3 GLU 43 3HB GLU 43 -4.498 -5.341 -3.782
316 HG2 GLU 43 2HG GLU 43 -6.498 -4.530 -4.927
317 HG3 GLU 43 3HG GLU 43 -5.527 -3.935 -6.272
318 H ASN 44 H ASN 44 -4.586 -0.666 -3.683
319 HA ASN 44 HA ASN 44 -3.284 0.025 -6.273
320 HB2 ASN 44 2HB ASN 44 -5.002 1.281 -7.028
321 HB3 ASN 44 3HB ASN 44 -5.858 -0.055 -6.305
322 HD21 ASN 44 1HD2 ASN 44 -7.159 2.262 -6.936
323 HD22 ASN 44 2HD2 ASN 44 -7.495 3.215 -5.489
324 H GLY 45 H GLY 45 -3.588 0.985 -2.890
325 HA2 GLY 45 2HA GLY 45 -3.608 3.714 -3.393
326 HA3 GLY 45 3HA GLY 45 -3.302 2.982 -1.834
327 H TRP 46 H TRP 46 -0.679 1.837 -2.676
328 HA TRP 46 HA TRP 46 1.499 2.320 -2.683
329 HB2 TRP 46 2HB TRP 46 1.084 3.045 -4.972
330 HB3 TRP 46 3HB TRP 46 0.866 4.688 -4.399
331 HD1 TRP 46 HD1 TRP 46 3.588 1.935 -4.435
332 HE1 TRP 46 HE1 TRP 46 5.919 3.034 -4.595
333 HE3 TRP 46 HE3 TRP 46 2.195 6.845 -4.074
334 HZ2 TRP 46 HZ2 TRP 46 7.011 5.689 -4.582
335 HZ3 TRP 46 HZ3 TRP 46 3.895 8.648 -4.240
336 HH2 TRP 46 HH2 TRP 46 6.306 8.083 -4.489
337 H CYS 47 H CYS 47 2.191 2.660 -0.702
338 HA CYS 47 HA CYS 47 2.096 5.375 0.503
339 HB2 CYS 47 2HB CYS 47 2.490 4.322 2.547
340 HB3 CYS 47 3HB CYS 47 1.483 3.129 1.726
341 H ARG 48 H ARG 48 4.143 5.949 1.690
342 HA ARG 48 HA ARG 48 6.477 5.842 -0.144
343 HB2 ARG 48 2HB ARG 48 6.063 7.548 2.346
344 HB3 ARG 48 3HB ARG 48 7.311 7.736 1.112
345 HG2 ARG 48 2HG ARG 48 4.341 8.259 0.729
346 HG3 ARG 48 3HG ARG 48 5.627 9.453 0.900
347 HD2 ARG 48 2HD ARG 48 6.708 8.493 -1.190
348 HD3 ARG 48 3HD ARG 48 5.282 7.472 -1.387
349 HE ARG 48 HE ARG 48 3.948 9.322 -1.892
350 HH11 ARG 48 1HH1 ARG 48 7.183 10.541 -1.059
351 HH12 ARG 48 2HH1 ARG 48 6.947 11.975 -2.045
352 HH21 ARG 48 1HH2 ARG 48 3.709 11.340 -2.843
353 HH22 ARG 48 2HH2 ARG 48 4.993 12.518 -2.739
354 H LEU 49 H LEU 49 5.491 3.723 1.969
355 HA LEU 49 HA LEU 49 7.989 3.514 3.574
356 HB2 LEU 49 2HB LEU 49 5.642 4.155 4.558
357 HB3 LEU 49 3HB LEU 49 5.277 2.448 4.365
358 HG LEU 49 HG LEU 49 7.278 1.962 5.876
359 HD11 LEU 49 1HD1 LEU 49 7.102 4.970 6.402
360 HD12 LEU 49 2HD1 LEU 49 8.112 3.806 7.286
361 HD13 LEU 49 3HD1 LEU 49 8.461 4.183 5.596
362 HD21 LEU 49 1HD2 LEU 49 4.929 2.030 6.727
363 HD22 LEU 49 2HD2 LEU 49 6.103 2.576 7.932
364 HD23 LEU 49 3HD2 LEU 49 5.118 3.762 7.057
365 H TYR 50 H TYR 50 6.541 2.062 1.040
366 HA TYR 50 HA TYR 50 6.890 0.091 -0.081
367 HB2 TYR 50 2HB TYR 50 9.713 0.732 0.766
368 HB3 TYR 50 3HB TYR 50 9.175 0.038 -0.759
369 HD1 TYR 50 HD1 TYR 50 6.913 1.848 -1.553
370 HD2 TYR 50 HD2 TYR 50 10.731 2.767 0.250
371 HE1 TYR 50 HE1 TYR 50 6.750 4.177 -2.367
372 HE2 TYR 50 HE2 TYR 50 10.556 5.096 -0.583
373 HH TYR 50 HH TYR 50 9.339 6.573 -1.857
374 H ALA 51 H ALA 51 5.813 -1.016 1.904
375 HA ALA 51 HA ALA 51 5.548 -2.849 3.159
376 HB1 ALA 51 1HB ALA 51 7.305 -4.038 1.000
377 HB2 ALA 51 2HB ALA 51 6.070 -4.885 1.931
378 HB3 ALA 51 3HB ALA 51 5.587 -3.606 0.809
379 H GLY 52 H GLY 52 8.067 -1.322 4.067
380 HA2 GLY 52 2HA GLY 52 8.637 -3.054 6.255
381 HA3 GLY 52 3HA GLY 52 9.906 -3.300 5.066
382 H LYS 53 H LYS 53 9.303 -0.061 4.667
383 HA LYS 53 HA LYS 53 11.748 0.656 5.979
384 HB2 LYS 53 2HB LYS 53 9.518 2.347 4.814
385 HB3 LYS 53 3HB LYS 53 11.056 3.003 5.343
386 HG2 LYS 53 2HG LYS 53 10.753 0.899 3.140
387 HG3 LYS 53 3HG LYS 53 10.856 2.623 2.880
388 HD2 LYS 53 2HD LYS 53 13.101 2.310 4.404
389 HD3 LYS 53 3HD LYS 53 12.980 0.687 3.732
390 HE2 LYS 53 2HE LYS 53 14.379 1.893 2.258
391 HE3 LYS 53 3HE LYS 53 12.826 1.763 1.423
392 HZ1 LYS 53 1HZ LYS 53 13.688 4.130 2.996
393 HZ2 LYS 53 2HZ LYS 53 13.860 4.037 1.374
394 HZ3 LYS 53 3HZ LYS 53 12.357 4.074 2.073
395 H ALA 54 H ALA 54 12.192 2.047 7.637
396 HA ALA 54 HA ALA 54 10.193 2.075 9.864
397 HB1 ALA 54 1HB ALA 54 13.217 1.722 9.949
398 HB2 ALA 54 2HB ALA 54 12.121 1.724 11.348
399 HB3 ALA 54 3HB ALA 54 12.002 0.433 10.138
Start of MODEL 10
1 H1 VAL 1 1H VAL 1 4.928 -3.089 22.286
2 H2 VAL 1 2H VAL 1 4.327 -4.350 23.160
3 H3 VAL 1 3H VAL 1 3.363 -3.547 22.094
4 HA VAL 1 HA VAL 1 5.716 -5.201 21.463
5 HB VAL 1 HB VAL 1 4.124 -6.548 20.077
6 HG11 VAL 1 1HG1 VAL 1 4.937 -7.359 22.234
7 HG12 VAL 1 2HG1 VAL 1 3.606 -6.540 23.065
8 HG13 VAL 1 3HG1 VAL 1 3.269 -7.870 21.944
9 HG21 VAL 1 1HG2 VAL 1 2.249 -4.894 19.965
10 HG22 VAL 1 2HG2 VAL 1 1.755 -6.507 20.500
11 HG23 VAL 1 3HG2 VAL 1 1.914 -5.203 21.685
12 H THR 2 H THR 2 6.258 -5.471 19.234
13 HA THR 2 HA THR 2 6.257 -3.025 17.736
14 HB THR 2 HB THR 2 8.000 -4.793 17.634
15 HG1 THR 2 HG1 THR 2 8.115 -4.587 15.270
16 HG21 THR 2 1HG2 THR 2 7.795 -6.687 16.170
17 HG22 THR 2 2HG2 THR 2 6.469 -6.787 17.330
18 HG23 THR 2 3HG2 THR 2 6.155 -6.222 15.673
19 H LYS 3 H LYS 3 5.208 -2.381 15.891
20 HA LYS 3 HA LYS 3 2.903 -3.892 14.799
21 HB2 LYS 3 2HB LYS 3 2.642 -1.154 16.129
22 HB3 LYS 3 3HB LYS 3 1.427 -1.837 15.063
23 HG2 LYS 3 2HG LYS 3 2.263 -3.046 17.732
24 HG3 LYS 3 3HG LYS 3 0.851 -2.032 17.445
25 HD2 LYS 3 2HD LYS 3 -0.028 -3.722 15.833
26 HD3 LYS 3 3HD LYS 3 1.341 -4.785 16.232
27 HE2 LYS 3 2HE LYS 3 0.628 -4.794 18.607
28 HE3 LYS 3 3HE LYS 3 -0.714 -3.712 18.209
29 HZ1 LYS 3 1HZ LYS 3 -0.379 -6.500 17.224
30 HZ2 LYS 3 2HZ LYS 3 -1.509 -5.945 18.288
31 HZ3 LYS 3 3HZ LYS 3 -1.558 -5.476 16.714
32 H LYS 4 H LYS 4 2.250 -3.234 12.772
33 HA LYS 4 HA LYS 4 4.164 -1.608 11.199
34 HB2 LYS 4 2HB LYS 4 1.610 -3.059 10.383
35 HB3 LYS 4 3HB LYS 4 2.708 -2.245 9.277
36 HG2 LYS 4 2HG LYS 4 3.314 -4.701 10.943
37 HG3 LYS 4 3HG LYS 4 3.054 -4.631 9.207
38 HD2 LYS 4 2HD LYS 4 5.147 -3.137 9.087
39 HD3 LYS 4 3HD LYS 4 5.380 -3.518 10.799
40 HE2 LYS 4 2HE LYS 4 5.157 -6.032 9.923
41 HE3 LYS 4 3HE LYS 4 5.598 -5.305 8.384
42 HZ1 LYS 4 1HZ LYS 4 7.618 -5.927 9.313
43 HZ2 LYS 4 2HZ LYS 4 7.572 -4.322 9.687
44 HZ3 LYS 4 3HZ LYS 4 7.244 -5.445 10.828
45 H ALA 5 H ALA 5 3.408 0.087 9.741
46 HA ALA 5 HA ALA 5 2.241 2.172 11.293
47 HB1 ALA 5 1HB ALA 5 2.928 2.064 8.329
48 HB2 ALA 5 2HB ALA 5 2.672 3.535 9.295
49 HB3 ALA 5 3HB ALA 5 4.054 2.477 9.636
50 H SER 6 H SER 6 0.288 3.337 11.086
51 HA SER 6 HA SER 6 -2.018 2.063 9.841
52 HB2 SER 6 2HB SER 6 -1.492 4.723 11.195
53 HB3 SER 6 3HB SER 6 -2.989 4.461 10.293
54 HG SER 6 HG SER 6 -3.357 2.589 11.556
55 H HIS 7 H HIS 7 -3.003 2.471 7.883
56 HA HIS 7 HA HIS 7 -1.334 3.034 5.790
57 HB2 HIS 7 2HB HIS 7 -3.265 2.963 4.340
58 HB3 HIS 7 3HB HIS 7 -3.303 1.704 5.556
59 HD2 HIS 7 HD2 HIS 7 -5.902 2.038 4.198
60 HE1 HIS 7 HE1 HIS 7 -7.301 4.488 7.379
61 HE2 HIS 7 HE2 HIS 7 -8.008 3.040 5.409
62 H LYS 8 H LYS 8 -3.812 5.424 6.803
63 HA LYS 8 HA LYS 8 -2.836 7.389 4.970
64 HB2 LYS 8 2HB LYS 8 -4.329 8.927 5.820
65 HB3 LYS 8 3HB LYS 8 -5.144 7.379 5.904
66 HG2 LYS 8 2HG LYS 8 -3.807 8.743 8.295
67 HG3 LYS 8 3HG LYS 8 -5.485 8.983 7.830
68 HD2 LYS 8 2HD LYS 8 -5.936 6.569 8.116
69 HD3 LYS 8 3HD LYS 8 -4.273 6.325 8.693
70 HE2 LYS 8 2HE LYS 8 -4.611 7.655 10.631
71 HE3 LYS 8 3HE LYS 8 -6.078 8.391 9.982
72 HZ1 LYS 8 1HZ LYS 8 -6.584 6.689 11.648
73 HZ2 LYS 8 2HZ LYS 8 -7.202 6.285 10.194
74 HZ3 LYS 8 3HZ LYS 8 -5.853 5.524 10.711
75 H ASP 9 H ASP 9 -1.614 6.721 8.184
76 HA ASP 9 HA ASP 9 -0.009 9.194 8.298
77 HB2 ASP 9 2HB ASP 9 -0.720 8.153 10.384
78 HB3 ASP 9 3HB ASP 9 0.066 6.634 9.940
79 H ALA 10 H ALA 10 0.428 5.809 7.294
80 HA ALA 10 HA ALA 10 3.111 6.177 6.224
81 HB1 ALA 10 1HB ALA 10 2.284 3.986 6.909
82 HB2 ALA 10 2HB ALA 10 0.938 4.095 5.757
83 HB3 ALA 10 3HB ALA 10 2.597 3.987 5.164
84 H GLY 11 H GLY 11 0.483 7.870 5.387
85 HA2 GLY 11 2HA GLY 11 0.150 9.268 3.653
86 HA3 GLY 11 3HA GLY 11 1.636 8.689 2.923
87 H TYR 12 H TYR 12 -0.912 6.274 3.451
88 HA TYR 12 HA TYR 12 -1.085 5.823 0.654
89 HB2 TYR 12 2HB TYR 12 -1.893 3.904 1.233
90 HB3 TYR 12 3HB TYR 12 -1.940 4.358 2.887
91 HD1 TYR 12 HD1 TYR 12 -4.171 5.790 3.576
92 HD2 TYR 12 HD2 TYR 12 -3.811 3.266 0.100
93 HE1 TYR 12 HE1 TYR 12 -6.650 5.701 3.389
94 HE2 TYR 12 HE2 TYR 12 -6.303 3.144 -0.058
95 HH TYR 12 HH TYR 12 -8.414 5.091 2.027
96 H GLN 13 H GLN 13 -2.415 6.219 -0.921
97 HA GLN 13 HA GLN 13 -4.715 7.953 -0.762
98 HB2 GLN 13 2HB GLN 13 -3.666 9.895 -1.934
99 HB3 GLN 13 3HB GLN 13 -3.070 9.664 -0.300
100 HG2 GLN 13 2HG GLN 13 -1.049 8.436 -1.343
101 HG3 GLN 13 3HG GLN 13 -1.610 9.046 -2.893
102 HE21 GLN 13 1HE2 GLN 13 -0.253 9.908 0.267
103 HE22 GLN 13 2HE2 GLN 13 0.076 11.606 -0.131
104 H GLU 14 H GLU 14 -5.751 8.158 -2.783
105 HA GLU 14 HA GLU 14 -5.187 5.945 -4.558
106 HB2 GLU 14 2HB GLU 14 -7.346 8.077 -4.685
107 HB3 GLU 14 3HB GLU 14 -7.253 6.641 -5.715
108 HG2 GLU 14 2HG GLU 14 -7.386 5.180 -3.718
109 HG3 GLU 14 3HG GLU 14 -7.608 6.611 -2.705
110 H SER 15 H SER 15 -3.086 7.975 -4.687
111 HA SER 15 HA SER 15 -3.043 8.393 -7.646
112 HB2 SER 15 2HB SER 15 -1.913 10.518 -7.405
113 HB3 SER 15 3HB SER 15 -3.517 10.557 -6.659
114 HG SER 15 HG SER 15 -1.032 10.198 -5.351
115 HA PRO 16 HA PRO 16 0.357 5.720 -6.079
116 HB2 PRO 16 2HB PRO 16 0.016 4.584 -8.853
117 HB3 PRO 16 3HB PRO 16 0.333 3.742 -7.306
118 HG2 PRO 16 2HG PRO 16 -2.170 3.769 -8.311
119 HG3 PRO 16 3HG PRO 16 -1.921 4.101 -6.563
120 HD2 PRO 16 2HD PRO 16 -2.269 6.105 -8.820
121 HD3 PRO 16 3HD PRO 16 -3.108 6.021 -7.245
122 H ASN 17 H ASN 17 2.572 5.287 -6.720
123 HA ASN 17 HA ASN 17 3.777 7.639 -8.002
124 HB2 ASN 17 2HB ASN 17 4.507 6.731 -5.822
125 HB3 ASN 17 3HB ASN 17 5.046 5.241 -6.608
126 HD21 ASN 17 1HD2 ASN 17 6.951 6.344 -5.195
127 HD22 ASN 17 2HD2 ASN 17 8.038 7.300 -6.185
128 H GLY 18 H GLY 18 3.104 7.318 -10.156
129 HA2 GLY 18 2HA GLY 18 3.186 6.507 -12.335
130 HA3 GLY 18 3HA GLY 18 4.686 5.665 -11.926
131 H ALA 19 H ALA 19 4.312 3.625 -12.691
132 HA ALA 19 HA ALA 19 1.801 2.232 -12.330
133 HB1 ALA 19 1HB ALA 19 2.971 0.428 -13.500
134 HB2 ALA 19 2HB ALA 19 3.218 1.974 -14.308
135 HB3 ALA 19 3HB ALA 19 4.518 1.279 -13.309
136 H LYS 20 H LYS 20 4.054 2.853 -9.951
137 HA LYS 20 HA LYS 20 4.027 0.172 -8.685
138 HB2 LYS 20 2HB LYS 20 5.297 2.783 -7.777
139 HB3 LYS 20 3HB LYS 20 5.459 1.221 -6.968
140 HG2 LYS 20 2HG LYS 20 6.596 0.266 -8.912
141 HG3 LYS 20 3HG LYS 20 6.337 1.768 -9.818
142 HD2 LYS 20 2HD LYS 20 7.743 3.001 -8.184
143 HD3 LYS 20 3HD LYS 20 8.003 1.498 -7.287
144 HE2 LYS 20 2HE LYS 20 9.927 2.025 -8.713
145 HE3 LYS 20 3HE LYS 20 9.177 0.502 -9.189
146 HZ1 LYS 20 1HZ LYS 20 8.189 1.570 -11.064
147 HZ2 LYS 20 2HZ LYS 20 8.571 3.063 -10.550
148 HZ3 LYS 20 3HZ LYS 20 9.771 2.042 -11.052
149 H ARG 21 H ARG 21 2.431 -0.429 -7.436
150 HA ARG 21 HA ARG 21 1.331 1.268 -5.330
151 HB2 ARG 21 2HB ARG 21 -0.917 1.307 -5.963
152 HB3 ARG 21 3HB ARG 21 -0.098 1.584 -7.496
153 HG2 ARG 21 2HG ARG 21 -0.313 -1.015 -7.783
154 HG3 ARG 21 3HG ARG 21 -1.535 -0.863 -6.491
155 HD2 ARG 21 2HD ARG 21 -2.839 0.684 -7.898
156 HD3 ARG 21 3HD ARG 21 -1.550 0.704 -9.116
157 HE ARG 21 HE ARG 21 -2.402 -2.001 -8.609
158 HH11 ARG 21 1HH1 ARG 21 -3.384 0.810 -10.549
159 HH12 ARG 21 2HH1 ARG 21 -4.124 -0.261 -11.724
160 HH21 ARG 21 1HH2 ARG 21 -3.281 -3.132 -10.077
161 HH22 ARG 21 2HH2 ARG 21 -3.980 -2.432 -11.538
162 H CYS 22 H CYS 22 -0.312 -0.187 -3.967
163 HA CYS 22 HA CYS 22 0.768 -2.583 -3.078
164 HB2 CYS 22 2HB CYS 22 -2.173 -1.906 -3.331
165 HB3 CYS 22 3HB CYS 22 -1.431 -2.919 -2.127
166 H GLY 23 H GLY 23 0.435 -4.806 -3.573
167 HA2 GLY 23 2HA GLY 23 0.132 -6.638 -4.995
168 HA3 GLY 23 3HA GLY 23 -0.861 -5.648 -6.054
169 H THR 24 H THR 24 1.688 -3.688 -6.005
170 HA THR 24 HA THR 24 3.719 -5.284 -7.370
171 HB THR 24 HB THR 24 2.094 -4.830 -9.123
172 HG1 THR 24 HG1 THR 24 4.279 -3.233 -9.762
173 HG21 THR 24 1HG2 THR 24 2.717 -1.870 -8.923
174 HG22 THR 24 2HG2 THR 24 1.646 -2.701 -10.067
175 HG23 THR 24 3HG2 THR 24 1.214 -2.639 -8.361
176 H CYS 25 H CYS 25 4.131 -4.389 -5.016
177 HA CYS 25 HA CYS 25 4.984 -1.535 -4.925
178 HB2 CYS 25 2HB CYS 25 3.230 -1.919 -3.419
179 HB3 CYS 25 3HB CYS 25 3.782 -3.541 -3.011
180 H ARG 26 H ARG 26 6.297 -4.715 -4.523
181 HA ARG 26 HA ARG 26 8.347 -5.557 -3.982
182 HB2 ARG 26 2HB ARG 26 9.321 -2.779 -3.257
183 HB3 ARG 26 3HB ARG 26 10.267 -4.233 -3.168
184 HG2 ARG 26 2HG ARG 26 9.036 -3.303 -5.793
185 HG3 ARG 26 3HG ARG 26 10.616 -2.781 -5.194
186 HD2 ARG 26 2HD ARG 26 11.249 -5.197 -4.937
187 HD3 ARG 26 3HD ARG 26 9.774 -5.644 -5.805
188 HE ARG 26 HE ARG 26 10.867 -3.870 -7.542
189 HH11 ARG 26 1HH1 ARG 26 12.466 -6.670 -6.023
190 HH12 ARG 26 2HH1 ARG 26 13.618 -6.700 -7.366
191 HH21 ARG 26 1HH2 ARG 26 12.264 -4.185 -9.135
192 HH22 ARG 26 2HH2 ARG 26 13.475 -5.471 -9.011
193 H GLN 27 H GLN 27 6.097 -4.230 -1.975
194 HA GLN 27 HA GLN 27 6.930 -6.405 -0.119
195 HB2 GLN 27 2HB GLN 27 5.611 -3.807 0.717
196 HB3 GLN 27 3HB GLN 27 5.604 -5.260 1.710
197 HG2 GLN 27 2HG GLN 27 8.123 -3.872 0.768
198 HG3 GLN 27 3HG GLN 27 7.365 -3.587 2.322
199 HE21 GLN 27 1HE2 GLN 27 9.064 -6.021 0.354
200 HE22 GLN 27 2HE2 GLN 27 9.579 -7.011 1.716
201 H PHE 28 H PHE 28 3.833 -5.017 0.361
202 HA PHE 28 HA PHE 28 1.778 -5.839 0.254
203 HB2 PHE 28 2HB PHE 28 2.163 -5.253 -2.118
204 HB3 PHE 28 3HB PHE 28 2.517 -6.946 -2.451
205 HD1 PHE 28 HD1 PHE 28 -0.137 -4.718 -0.971
206 HD2 PHE 28 HD2 PHE 28 0.753 -8.407 -3.023
207 HE1 PHE 28 HE1 PHE 28 -2.556 -5.118 -1.314
208 HE2 PHE 28 HE2 PHE 28 -1.676 -8.770 -3.406
209 HZ PHE 28 HZ PHE 28 -3.322 -7.148 -2.540
210 H ARG 29 H ARG 29 0.299 -7.538 0.501
211 HA ARG 29 HA ARG 29 1.413 -10.230 1.169
212 HB2 ARG 29 2HB ARG 29 1.586 -8.711 3.124
213 HB3 ARG 29 3HB ARG 29 -0.127 -8.353 2.996
214 HG2 ARG 29 2HG ARG 29 0.095 -9.861 4.775
215 HG3 ARG 29 3HG ARG 29 -0.616 -10.778 3.448
216 HD2 ARG 29 2HD ARG 29 1.732 -11.608 2.913
217 HD3 ARG 29 3HD ARG 29 2.274 -10.825 4.410
218 HE ARG 29 HE ARG 29 -0.051 -12.578 4.770
219 HH11 ARG 29 1HH1 ARG 29 3.487 -12.622 4.993
220 HH12 ARG 29 2HH1 ARG 29 3.405 -14.149 5.858
221 HH21 ARG 29 1HH2 ARG 29 0.017 -14.190 6.057
222 HH22 ARG 29 2HH2 ARG 29 1.547 -14.817 6.682
223 HA PRO 30 HA PRO 30 -2.481 -10.191 -1.288
224 HB2 PRO 30 2HB PRO 30 -2.112 -12.556 -2.694
225 HB3 PRO 30 3HB PRO 30 -1.401 -10.986 -3.150
226 HG2 PRO 30 2HG PRO 30 -0.114 -13.219 -1.562
227 HG3 PRO 30 3HG PRO 30 0.568 -12.301 -2.942
228 HD2 PRO 30 2HD PRO 30 1.191 -11.665 -0.398
229 HD3 PRO 30 3HD PRO 30 0.919 -10.377 -1.606
230 HA PRO 31 HA PRO 31 -4.306 -11.550 -2.501
231 HB2 PRO 31 2HB PRO 31 -7.000 -11.475 -1.195
232 HB3 PRO 31 3HB PRO 31 -6.514 -12.172 -2.768
233 HG2 PRO 31 2HG PRO 31 -6.986 -13.785 -0.653
234 HG3 PRO 31 3HG PRO 31 -5.554 -14.094 -1.693
235 HD2 PRO 31 2HD PRO 31 -5.661 -12.548 0.918
236 HD3 PRO 31 3HD PRO 31 -4.576 -13.895 0.466
237 H SER 32 H SER 32 -5.386 -9.929 0.546
238 HA SER 32 HA SER 32 -5.586 -7.366 -0.966
239 HB2 SER 32 2HB SER 32 -7.669 -8.433 0.954
240 HB3 SER 32 3HB SER 32 -7.757 -6.949 -0.014
241 HG SER 32 HG SER 32 -8.035 -8.104 -1.847
242 H SER 33 H SER 33 -3.463 -8.112 0.896
243 HA SER 33 HA SER 33 -3.768 -5.918 2.882
244 HB2 SER 33 2HB SER 33 -2.336 -7.560 4.414
245 HB3 SER 33 3HB SER 33 -4.081 -7.472 4.430
246 HG SER 33 HG SER 33 -2.666 -9.306 2.767
247 H CYS 34 H CYS 34 -1.692 -5.374 3.966
248 HA CYS 34 HA CYS 34 0.578 -5.335 2.024
249 HB2 CYS 34 2HB CYS 34 -0.451 -3.165 2.639
250 HB3 CYS 34 3HB CYS 34 -0.109 -3.509 4.353
251 H ILE 35 H ILE 35 2.733 -5.250 3.090
252 HA ILE 35 HA ILE 35 2.990 -7.085 5.455
253 HB ILE 35 HB ILE 35 5.258 -6.056 3.726
254 HG12 ILE 35 2HG1 ILE 35 3.946 -8.810 3.648
255 HG13 ILE 35 3HG1 ILE 35 3.819 -7.561 2.406
256 HG21 ILE 35 1HG2 ILE 35 5.173 -8.234 5.860
257 HG22 ILE 35 2HG2 ILE 35 6.592 -7.779 4.903
258 HG23 ILE 35 3HG2 ILE 35 5.928 -6.634 6.036
259 HD11 ILE 35 1HD1 ILE 35 6.316 -9.115 3.153
260 HD12 ILE 35 2HD1 ILE 35 5.431 -9.131 1.631
261 HD13 ILE 35 3HD1 ILE 35 6.323 -7.677 2.099
262 H THR 36 H THR 36 3.649 -3.826 4.180
263 HA THR 36 HA THR 36 5.171 -3.083 6.572
264 HB THR 36 HB THR 36 5.325 -0.955 4.791
265 HG1 THR 36 HG1 THR 36 4.547 -1.834 2.974
266 HG21 THR 36 1HG2 THR 36 7.016 -3.488 4.937
267 HG22 THR 36 2HG2 THR 36 7.528 -1.940 4.237
268 HG23 THR 36 3HG2 THR 36 7.193 -2.049 5.970
269 H VAL 37 H VAL 37 2.041 -2.350 5.217
270 HA VAL 37 HA VAL 37 1.619 -0.599 7.602
271 HB VAL 37 HB VAL 37 -0.337 0.357 6.630
272 HG11 VAL 37 1HG1 VAL 37 1.996 0.587 4.689
273 HG12 VAL 37 2HG1 VAL 37 0.702 1.763 4.939
274 HG13 VAL 37 3HG1 VAL 37 1.860 1.436 6.246
275 HG21 VAL 37 1HG2 VAL 37 -1.093 -1.467 5.138
276 HG22 VAL 37 2HG2 VAL 37 -1.000 0.100 4.324
277 HG23 VAL 37 3HG2 VAL 37 0.272 -1.089 4.045
278 H GLU 38 H GLU 38 -0.219 -0.887 8.846
279 HA GLU 38 HA GLU 38 -1.058 -3.686 9.242
280 HB2 GLU 38 2HB GLU 38 -0.524 -2.008 11.084
281 HB3 GLU 38 3HB GLU 38 -1.994 -1.149 10.599
282 HG2 GLU 38 2HG GLU 38 -3.302 -3.263 11.104
283 HG3 GLU 38 3HG GLU 38 -1.792 -4.051 11.565
284 H SER 39 H SER 39 -3.273 -4.398 9.035
285 HA SER 39 HA SER 39 -4.765 -3.210 6.843
286 HB2 SER 39 2HB SER 39 -5.456 -5.423 8.810
287 HB3 SER 39 3HB SER 39 -6.414 -5.010 7.376
288 HG SER 39 HG SER 39 -4.912 -6.711 7.037
289 HA PRO 40 HA PRO 40 -7.183 -3.296 6.256
290 HB2 PRO 40 2HB PRO 40 -9.003 -1.448 5.494
291 HB3 PRO 40 3HB PRO 40 -9.346 -2.656 6.772
292 HG2 PRO 40 2HG PRO 40 -8.432 0.222 7.122
293 HG3 PRO 40 3HG PRO 40 -9.808 -0.609 7.920
294 HD2 PRO 40 2HD PRO 40 -7.350 -0.367 9.105
295 HD3 PRO 40 3HD PRO 40 -8.383 -1.802 9.352
296 H ILE 41 H ILE 41 -6.906 -2.718 4.058
297 HA ILE 41 HA ILE 41 -5.794 -0.142 3.284
298 HB ILE 41 HB ILE 41 -3.801 -1.319 4.116
299 HG12 ILE 41 2HG1 ILE 41 -2.313 -1.195 2.197
300 HG13 ILE 41 3HG1 ILE 41 -3.666 -1.172 1.083
301 HG21 ILE 41 1HG2 ILE 41 -4.509 -3.663 3.764
302 HG22 ILE 41 2HG2 ILE 41 -4.335 -3.455 2.007
303 HG23 ILE 41 3HG2 ILE 41 -2.921 -3.335 3.071
304 HD11 ILE 41 1HD1 ILE 41 -3.035 0.957 3.166
305 HD12 ILE 41 2HD1 ILE 41 -2.705 1.073 1.429
306 HD13 ILE 41 3HD1 ILE 41 -4.380 1.036 2.002
307 H SER 42 H SER 42 -5.906 0.207 0.976
308 HA SER 42 HA SER 42 -7.790 -1.475 -0.532
309 HB2 SER 42 2HB SER 42 -7.749 0.924 -0.966
310 HB3 SER 42 3HB SER 42 -6.020 0.865 -1.322
311 HG SER 42 HG SER 42 -7.161 0.865 -3.258
312 H GLU 43 H GLU 43 -7.229 -3.203 -1.879
313 HA GLU 43 HA GLU 43 -4.492 -4.101 -1.814
314 HB2 GLU 43 2HB GLU 43 -5.166 -6.047 -2.846
315 HB3 GLU 43 3HB GLU 43 -6.544 -5.553 -1.864
316 HG2 GLU 43 2HG GLU 43 -7.607 -4.645 -3.944
317 HG3 GLU 43 3HG GLU 43 -6.234 -5.248 -4.877
318 H ASN 44 H ASN 44 -5.850 -1.772 -3.746
319 HA ASN 44 HA ASN 44 -3.555 -1.865 -5.660
320 HB2 ASN 44 2HB ASN 44 -6.335 -0.692 -6.115
321 HB3 ASN 44 3HB ASN 44 -5.002 -0.665 -7.260
322 HD21 ASN 44 1HD2 ASN 44 -7.528 -2.663 -5.858
323 HD22 ASN 44 2HD2 ASN 44 -7.242 -4.049 -6.922
324 H GLY 45 H GLY 45 -4.041 -0.586 -2.833
325 HA2 GLY 45 2HA GLY 45 -4.717 2.063 -2.887
326 HA3 GLY 45 3HA GLY 45 -3.660 1.322 -1.689
327 H TRP 46 H TRP 46 -1.357 1.049 -2.568
328 HA TRP 46 HA TRP 46 0.649 2.045 -2.810
329 HB2 TRP 46 2HB TRP 46 0.066 3.090 -4.979
330 HB3 TRP 46 3HB TRP 46 -0.648 4.426 -4.093
331 HD1 TRP 46 HD1 TRP 46 2.782 2.767 -4.560
332 HE1 TRP 46 HE1 TRP 46 4.642 4.447 -4.039
333 HE3 TRP 46 HE3 TRP 46 -0.119 6.788 -3.305
334 HZ2 TRP 46 HZ2 TRP 46 4.849 7.215 -3.256
335 HZ3 TRP 46 HZ3 TRP 46 0.961 8.971 -2.750
336 HH2 TRP 46 HH2 TRP 46 3.417 9.187 -2.709
337 H CYS 47 H CYS 47 1.799 2.936 -1.257
338 HA CYS 47 HA CYS 47 0.809 5.278 0.237
339 HB2 CYS 47 2HB CYS 47 1.186 4.283 2.371
340 HB3 CYS 47 3HB CYS 47 0.456 2.936 1.466
341 H ARG 48 H ARG 48 2.666 6.006 1.739
342 HA ARG 48 HA ARG 48 5.062 6.420 0.025
343 HB2 ARG 48 2HB ARG 48 4.214 8.032 2.444
344 HB3 ARG 48 3HB ARG 48 5.478 8.412 1.253
345 HG2 ARG 48 2HG ARG 48 3.543 8.184 -0.493
346 HG3 ARG 48 3HG ARG 48 2.466 8.389 0.876
347 HD2 ARG 48 2HD ARG 48 4.520 10.323 -0.215
348 HD3 ARG 48 3HD ARG 48 2.751 10.465 -0.225
349 HE ARG 48 HE ARG 48 3.621 10.288 2.497
350 HH11 ARG 48 1HH1 ARG 48 3.947 12.564 -0.169
351 HH12 ARG 48 2HH1 ARG 48 4.387 13.871 0.912
352 HH21 ARG 48 1HH2 ARG 48 3.942 11.950 3.774
353 HH22 ARG 48 2HH2 ARG 48 4.427 13.517 3.139
354 H LEU 49 H LEU 49 4.298 4.139 2.148
355 HA LEU 49 HA LEU 49 6.603 4.238 3.912
356 HB2 LEU 49 2HB LEU 49 4.274 3.033 4.165
357 HB3 LEU 49 3HB LEU 49 5.004 1.744 3.250
358 HG LEU 49 HG LEU 49 5.078 1.242 5.580
359 HD11 LEU 49 1HD1 LEU 49 7.923 2.051 4.888
360 HD12 LEU 49 2HD1 LEU 49 7.375 0.755 5.957
361 HD13 LEU 49 3HD1 LEU 49 7.099 0.622 4.215
362 HD21 LEU 49 1HD2 LEU 49 4.950 3.540 6.487
363 HD22 LEU 49 2HD2 LEU 49 6.199 2.562 7.272
364 HD23 LEU 49 3HD2 LEU 49 6.663 3.793 6.085
365 H TYR 50 H TYR 50 5.772 2.177 1.067
366 HA TYR 50 HA TYR 50 8.693 1.560 0.802
367 HB2 TYR 50 2HB TYR 50 6.964 -0.091 1.940
368 HB3 TYR 50 3HB TYR 50 6.570 -0.504 0.286
369 HD1 TYR 50 HD1 TYR 50 8.379 -1.423 -1.218
370 HD2 TYR 50 HD2 TYR 50 9.012 -0.724 2.987
371 HE1 TYR 50 HE1 TYR 50 10.424 -2.876 -1.261
372 HE2 TYR 50 HE2 TYR 50 10.985 -2.241 2.959
373 HH TYR 50 HH TYR 50 12.222 -3.609 -0.094
374 H ALA 51 H ALA 51 5.648 1.373 -1.171
375 HA ALA 51 HA ALA 51 6.942 0.613 -3.522
376 HB1 ALA 51 1HB ALA 51 4.328 2.063 -3.040
377 HB2 ALA 51 2HB ALA 51 4.795 1.341 -4.606
378 HB3 ALA 51 3HB ALA 51 4.583 0.321 -3.173
379 H GLY 52 H GLY 52 8.518 1.628 -4.582
380 HA2 GLY 52 2HA GLY 52 9.314 3.327 -6.068
381 HA3 GLY 52 3HA GLY 52 8.299 4.528 -5.281
382 H LYS 53 H LYS 53 9.975 2.590 -2.950
383 HA LYS 53 HA LYS 53 12.111 4.564 -2.469
384 HB2 LYS 53 2HB LYS 53 11.540 1.782 -1.388
385 HB3 LYS 53 3HB LYS 53 12.952 2.721 -0.916
386 HG2 LYS 53 2HG LYS 53 10.061 3.606 -0.480
387 HG3 LYS 53 3HG LYS 53 11.093 2.834 0.725
388 HD2 LYS 53 2HD LYS 53 12.743 4.755 0.391
389 HD3 LYS 53 3HD LYS 53 11.490 5.570 -0.552
390 HE2 LYS 53 2HE LYS 53 11.360 4.756 2.387
391 HE3 LYS 53 3HE LYS 53 11.543 6.384 1.731
392 HZ1 LYS 53 1HZ LYS 53 9.142 4.674 1.587
393 HZ2 LYS 53 2HZ LYS 53 9.281 6.151 2.270
394 HZ3 LYS 53 3HZ LYS 53 9.304 6.006 0.635
395 H ALA 54 H ALA 54 14.209 4.452 -3.038
396 HA ALA 54 HA ALA 54 14.698 3.125 -5.588
397 HB1 ALA 54 1HB ALA 54 16.592 4.685 -5.721
398 HB2 ALA 54 2HB ALA 54 15.098 5.528 -5.274
399 HB3 ALA 54 3HB ALA 54 16.326 5.182 -4.039
Start of MODEL 11
1 H1 VAL 1 1H VAL 1 14.308 0.548 8.959
2 H2 VAL 1 2H VAL 1 15.843 0.959 9.319
3 H3 VAL 1 3H VAL 1 15.222 1.337 7.838
4 HA VAL 1 HA VAL 1 14.427 2.413 10.451
5 HB VAL 1 HB VAL 1 16.487 3.353 9.741
6 HG11 VAL 1 1HG1 VAL 1 15.119 4.266 7.175
7 HG12 VAL 1 2HG1 VAL 1 16.708 4.794 7.750
8 HG13 VAL 1 3HG1 VAL 1 16.467 3.106 7.324
9 HG21 VAL 1 1HG2 VAL 1 14.825 4.811 10.899
10 HG22 VAL 1 2HG2 VAL 1 15.964 5.701 9.880
11 HG23 VAL 1 3HG2 VAL 1 14.308 5.431 9.313
12 H THR 2 H THR 2 13.485 2.386 6.949
13 HA THR 2 HA THR 2 10.997 3.768 7.299
14 HB THR 2 HB THR 2 11.694 1.455 5.439
15 HG1 THR 2 HG1 THR 2 12.480 2.875 4.118
16 HG21 THR 2 1HG2 THR 2 9.246 1.894 5.524
17 HG22 THR 2 2HG2 THR 2 9.560 3.617 5.183
18 HG23 THR 2 3HG2 THR 2 9.952 2.369 3.977
19 H LYS 3 H LYS 3 9.290 3.195 8.544
20 HA LYS 3 HA LYS 3 9.245 0.460 9.721
21 HB2 LYS 3 2HB LYS 3 9.732 2.044 11.343
22 HB3 LYS 3 3HB LYS 3 8.528 3.197 10.756
23 HG2 LYS 3 2HG LYS 3 6.719 1.919 11.542
24 HG3 LYS 3 3HG LYS 3 7.732 0.502 11.920
25 HD2 LYS 3 2HD LYS 3 8.804 1.754 13.735
26 HD3 LYS 3 3HD LYS 3 7.864 3.188 13.337
27 HE2 LYS 3 2HE LYS 3 6.793 0.487 14.310
28 HE3 LYS 3 3HE LYS 3 6.901 1.974 15.249
29 HZ1 LYS 3 1HZ LYS 3 5.081 1.475 12.968
30 HZ2 LYS 3 2HZ LYS 3 4.690 1.790 14.547
31 HZ3 LYS 3 3HZ LYS 3 5.300 2.972 13.639
32 H LYS 4 H LYS 4 7.591 -0.861 9.811
33 HA LYS 4 HA LYS 4 5.136 -0.671 8.326
34 HB2 LYS 4 2HB LYS 4 6.040 -2.350 10.701
35 HB3 LYS 4 3HB LYS 4 4.471 -2.574 9.939
36 HG2 LYS 4 2HG LYS 4 5.375 -3.430 7.944
37 HG3 LYS 4 3HG LYS 4 6.982 -2.771 8.242
38 HD2 LYS 4 2HD LYS 4 7.323 -4.350 10.101
39 HD3 LYS 4 3HD LYS 4 5.667 -4.958 9.927
40 HE2 LYS 4 2HE LYS 4 6.203 -5.816 7.665
41 HE3 LYS 4 3HE LYS 4 7.836 -5.171 7.788
42 HZ1 LYS 4 1HZ LYS 4 8.217 -6.677 9.688
43 HZ2 LYS 4 2HZ LYS 4 6.700 -7.283 9.562
44 HZ3 LYS 4 3HZ LYS 4 7.795 -7.525 8.364
45 H ALA 5 H ALA 5 3.192 0.159 8.758
46 HA ALA 5 HA ALA 5 2.620 1.474 11.367
47 HB1 ALA 5 1HB ALA 5 2.521 3.647 10.146
48 HB2 ALA 5 2HB ALA 5 4.126 2.928 10.027
49 HB3 ALA 5 3HB ALA 5 3.010 2.825 8.650
50 H SER 6 H SER 6 0.610 3.012 10.851
51 HA SER 6 HA SER 6 -1.576 1.523 9.511
52 HB2 SER 6 2HB SER 6 -1.677 4.172 10.985
53 HB3 SER 6 3HB SER 6 -3.059 3.190 10.461
54 HG SER 6 HG SER 6 -2.659 1.736 12.021
55 H HIS 7 H HIS 7 -2.863 2.577 7.866
56 HA HIS 7 HA HIS 7 -1.540 3.365 5.569
57 HB2 HIS 7 2HB HIS 7 -3.793 4.130 4.845
58 HB3 HIS 7 3HB HIS 7 -3.786 2.536 5.542
59 HD2 HIS 7 HD2 HIS 7 -6.508 3.609 5.382
60 HE1 HIS 7 HE1 HIS 7 -6.283 4.833 9.452
61 HE2 HIS 7 HE2 HIS 7 -7.868 4.319 7.512
62 H LYS 8 H LYS 8 -3.119 5.554 7.756
63 HA LYS 8 HA LYS 8 -2.450 8.032 6.472
64 HB2 LYS 8 2HB LYS 8 -4.344 7.669 8.047
65 HB3 LYS 8 3HB LYS 8 -3.208 7.425 9.369
66 HG2 LYS 8 2HG LYS 8 -4.156 9.624 9.506
67 HG3 LYS 8 3HG LYS 8 -2.434 9.774 9.154
68 HD2 LYS 8 2HD LYS 8 -2.944 10.276 6.782
69 HD3 LYS 8 3HD LYS 8 -4.653 9.937 7.068
70 HE2 LYS 8 2HE LYS 8 -4.519 12.287 7.117
71 HE3 LYS 8 3HE LYS 8 -4.619 11.817 8.816
72 HZ1 LYS 8 1HZ LYS 8 -2.135 12.511 7.342
73 HZ2 LYS 8 2HZ LYS 8 -2.904 13.486 8.432
74 HZ3 LYS 8 3HZ LYS 8 -2.165 12.088 8.921
75 H ASP 9 H ASP 9 -0.844 6.332 9.148
76 HA ASP 9 HA ASP 9 1.209 8.369 9.517
77 HB2 ASP 9 2HB ASP 9 0.224 6.770 11.257
78 HB3 ASP 9 3HB ASP 9 1.204 5.504 10.529
79 H ALA 10 H ALA 10 0.854 5.530 7.497
80 HA ALA 10 HA ALA 10 3.579 5.545 6.440
81 HB1 ALA 10 1HB ALA 10 1.002 4.248 5.457
82 HB2 ALA 10 2HB ALA 10 2.639 3.847 4.924
83 HB3 ALA 10 3HB ALA 10 2.147 3.505 6.591
84 H GLY 11 H GLY 11 0.866 7.590 5.930
85 HA2 GLY 11 2HA GLY 11 0.602 9.365 4.543
86 HA3 GLY 11 3HA GLY 11 2.198 9.070 3.844
87 H TYR 12 H TYR 12 -0.659 6.868 3.801
88 HA TYR 12 HA TYR 12 -0.391 6.438 1.006
89 HB2 TYR 12 2HB TYR 12 -2.008 4.902 1.137
90 HB3 TYR 12 3HB TYR 12 -1.334 4.853 2.747
91 HD1 TYR 12 HD1 TYR 12 -2.877 7.340 3.873
92 HD2 TYR 12 HD2 TYR 12 -4.070 3.877 1.592
93 HE1 TYR 12 HE1 TYR 12 -5.162 7.538 4.779
94 HE2 TYR 12 HE2 TYR 12 -6.398 4.117 2.480
95 HH TYR 12 HH TYR 12 -7.781 5.270 3.910
96 H GLN 13 H GLN 13 -1.708 6.798 -0.779
97 HA GLN 13 HA GLN 13 -3.827 8.826 -0.562
98 HB2 GLN 13 2HB GLN 13 -3.000 10.293 -2.185
99 HB3 GLN 13 3HB GLN 13 -1.704 10.064 -1.032
100 HG2 GLN 13 2HG GLN 13 -0.541 8.538 -2.588
101 HG3 GLN 13 3HG GLN 13 -1.872 8.646 -3.743
102 HE21 GLN 13 1HE2 GLN 13 0.578 10.653 -2.054
103 HE22 GLN 13 2HE2 GLN 13 0.766 11.786 -3.378
104 H GLU 14 H GLU 14 -5.142 9.041 -2.454
105 HA GLU 14 HA GLU 14 -5.952 6.346 -3.161
106 HB2 GLU 14 2HB GLU 14 -7.178 8.248 -1.931
107 HB3 GLU 14 3HB GLU 14 -7.453 8.957 -3.524
108 HG2 GLU 14 2HG GLU 14 -8.885 7.157 -4.165
109 HG3 GLU 14 3HG GLU 14 -8.300 6.132 -2.841
110 H SER 15 H SER 15 -4.365 8.763 -4.943
111 HA SER 15 HA SER 15 -5.140 7.508 -7.557
112 HB2 SER 15 2HB SER 15 -5.302 9.935 -7.550
113 HB3 SER 15 3HB SER 15 -3.620 10.075 -7.016
114 HG SER 15 HG SER 15 -2.909 9.328 -8.933
115 HA PRO 16 HA PRO 16 -1.270 5.449 -6.245
116 HB2 PRO 16 2HB PRO 16 -1.464 3.144 -7.703
117 HB3 PRO 16 3HB PRO 16 -2.359 3.436 -6.181
118 HG2 PRO 16 2HG PRO 16 -3.338 3.791 -9.031
119 HG3 PRO 16 3HG PRO 16 -4.156 2.956 -7.667
120 HD2 PRO 16 2HD PRO 16 -4.745 5.528 -8.360
121 HD3 PRO 16 3HD PRO 16 -4.737 5.006 -6.648
122 H ASN 17 H ASN 17 0.707 4.880 -7.185
123 HA ASN 17 HA ASN 17 1.619 6.499 -9.312
124 HB2 ASN 17 2HB ASN 17 2.962 5.839 -7.398
125 HB3 ASN 17 3HB ASN 17 2.796 4.136 -7.802
126 HD21 ASN 17 1HD2 ASN 17 4.517 7.100 -8.512
127 HD22 ASN 17 2HD2 ASN 17 5.715 6.322 -9.541
128 H GLY 18 H GLY 18 2.283 6.112 -11.374
129 HA2 GLY 18 2HA GLY 18 0.781 4.266 -12.928
130 HA3 GLY 18 3HA GLY 18 2.076 5.305 -13.507
131 H ALA 19 H ALA 19 3.882 3.710 -11.435
132 HA ALA 19 HA ALA 19 4.495 1.469 -13.326
133 HB1 ALA 19 1HB ALA 19 6.324 3.067 -11.490
134 HB2 ALA 19 2HB ALA 19 6.807 1.709 -12.523
135 HB3 ALA 19 3HB ALA 19 6.203 3.204 -13.262
136 H LYS 20 H LYS 20 4.811 2.246 -9.813
137 HA LYS 20 HA LYS 20 4.267 -0.651 -9.178
138 HB2 LYS 20 2HB LYS 20 6.438 1.153 -8.046
139 HB3 LYS 20 3HB LYS 20 5.970 -0.404 -7.340
140 HG2 LYS 20 2HG LYS 20 6.629 -1.589 -9.376
141 HG3 LYS 20 3HG LYS 20 6.966 -0.053 -10.188
142 HD2 LYS 20 2HD LYS 20 8.763 0.446 -8.574
143 HD3 LYS 20 3HD LYS 20 8.469 -1.099 -7.765
144 HE2 LYS 20 2HE LYS 20 9.025 -2.314 -9.866
145 HE3 LYS 20 3HE LYS 20 9.292 -0.758 -10.671
146 HZ1 LYS 20 1HZ LYS 20 10.962 -2.052 -8.626
147 HZ2 LYS 20 2HZ LYS 20 11.418 -1.329 -10.019
148 HZ3 LYS 20 3HZ LYS 20 10.972 -0.409 -8.736
149 H ARG 21 H ARG 21 2.616 -0.899 -7.875
150 HA ARG 21 HA ARG 21 1.962 1.075 -5.761
151 HB2 ARG 21 2HB ARG 21 -0.262 1.406 -6.395
152 HB3 ARG 21 3HB ARG 21 0.609 1.536 -7.924
153 HG2 ARG 21 2HG ARG 21 0.014 -0.952 -8.297
154 HG3 ARG 21 3HG ARG 21 -1.044 -0.792 -6.870
155 HD2 ARG 21 2HD ARG 21 -2.360 0.926 -7.973
156 HD3 ARG 21 3HD ARG 21 -1.305 0.891 -9.392
157 HE ARG 21 HE ARG 21 -3.289 -1.154 -8.555
158 HH11 ARG 21 1HH1 ARG 21 -0.874 -0.308 -11.034
159 HH12 ARG 21 2HH1 ARG 21 -1.417 -1.669 -12.006
160 HH21 ARG 21 1HH2 ARG 21 -3.888 -2.758 -10.000
161 HH22 ARG 21 2HH2 ARG 21 -2.967 -2.878 -11.506
162 H CYS 22 H CYS 22 0.129 0.115 -4.309
163 HA CYS 22 HA CYS 22 0.692 -2.280 -3.139
164 HB2 CYS 22 2HB CYS 22 -1.998 -0.976 -3.588
165 HB3 CYS 22 3HB CYS 22 -1.582 -2.009 -2.237
166 H GLY 23 H GLY 23 0.066 -4.439 -3.308
167 HA2 GLY 23 2HA GLY 23 -0.745 -6.381 -4.397
168 HA3 GLY 23 3HA GLY 23 -1.425 -5.407 -5.673
169 H THR 24 H THR 24 1.341 -3.992 -5.976
170 HA THR 24 HA THR 24 3.148 -6.249 -6.562
171 HB THR 24 HB THR 24 1.934 -5.640 -8.660
172 HG1 THR 24 HG1 THR 24 4.025 -5.548 -9.807
173 HG21 THR 24 1HG2 THR 24 2.578 -3.757 -9.974
174 HG22 THR 24 2HG2 THR 24 1.978 -3.148 -8.427
175 HG23 THR 24 3HG2 THR 24 3.731 -3.192 -8.752
176 H CYS 25 H CYS 25 2.968 -4.436 -4.392
177 HA CYS 25 HA CYS 25 5.223 -2.552 -4.583
178 HB2 CYS 25 2HB CYS 25 3.230 -1.952 -3.255
179 HB3 CYS 25 3HB CYS 25 3.431 -3.400 -2.261
180 H ARG 26 H ARG 26 7.109 -2.682 -3.416
181 HA ARG 26 HA ARG 26 8.575 -5.029 -3.344
182 HB2 ARG 26 2HB ARG 26 9.501 -2.746 -3.296
183 HB3 ARG 26 3HB ARG 26 8.860 -2.500 -1.680
184 HG2 ARG 26 2HG ARG 26 11.254 -2.862 -1.650
185 HG3 ARG 26 3HG ARG 26 10.417 -4.117 -0.749
186 HD2 ARG 26 2HD ARG 26 10.612 -5.619 -2.817
187 HD3 ARG 26 3HD ARG 26 11.572 -4.349 -3.567
188 HE ARG 26 HE ARG 26 13.397 -4.998 -2.279
189 HH11 ARG 26 1HH1 ARG 26 10.562 -6.479 -0.771
190 HH12 ARG 26 2HH1 ARG 26 11.570 -7.482 0.249
191 HH21 ARG 26 1HH2 ARG 26 14.521 -6.123 -0.947
192 HH22 ARG 26 2HH2 ARG 26 13.794 -7.246 0.211
193 H GLN 27 H GLN 27 6.394 -3.946 -0.764
194 HA GLN 27 HA GLN 27 7.021 -6.512 0.624
195 HB2 GLN 27 2HB GLN 27 7.979 -4.375 1.707
196 HB3 GLN 27 3HB GLN 27 6.319 -4.029 2.182
197 HG2 GLN 27 2HG GLN 27 6.810 -6.752 2.939
198 HG3 GLN 27 3HG GLN 27 8.294 -5.890 3.317
199 HE21 GLN 27 1HE2 GLN 27 4.720 -5.647 3.748
200 HE22 GLN 27 2HE2 GLN 27 4.853 -4.748 5.223
201 H PHE 28 H PHE 28 4.786 -5.676 -1.281
202 HA PHE 28 HA PHE 28 2.281 -5.712 0.073
203 HB2 PHE 28 2HB PHE 28 2.317 -5.215 -2.257
204 HB3 PHE 28 3HB PHE 28 3.223 -6.676 -2.644
205 HD1 PHE 28 HD1 PHE 28 -0.076 -5.663 -1.101
206 HD2 PHE 28 HD2 PHE 28 2.069 -8.502 -3.547
207 HE1 PHE 28 HE1 PHE 28 -2.179 -6.919 -1.496
208 HE2 PHE 28 HE2 PHE 28 -0.049 -9.718 -3.982
209 HZ PHE 28 HZ PHE 28 -2.168 -8.941 -2.948
210 H ARG 29 H ARG 29 0.816 -7.365 0.599
211 HA ARG 29 HA ARG 29 1.969 -10.087 1.075
212 HB2 ARG 29 2HB ARG 29 0.954 -8.038 2.937
213 HB3 ARG 29 3HB ARG 29 0.135 -9.558 3.112
214 HG2 ARG 29 2HG ARG 29 1.946 -9.633 4.599
215 HG3 ARG 29 3HG ARG 29 2.401 -10.707 3.279
216 HD2 ARG 29 2HD ARG 29 3.917 -9.042 2.362
217 HD3 ARG 29 3HD ARG 29 3.294 -7.803 3.448
218 HE ARG 29 HE ARG 29 4.262 -9.066 5.352
219 HH11 ARG 29 1HH1 ARG 29 5.747 -9.989 2.258
220 HH12 ARG 29 2HH1 ARG 29 7.308 -10.114 3.071
221 HH21 ARG 29 1HH2 ARG 29 6.259 -9.408 6.173
222 HH22 ARG 29 2HH2 ARG 29 7.568 -9.818 5.069
223 HA PRO 30 HA PRO 30 -1.647 -10.967 -1.526
224 HB2 PRO 30 2HB PRO 30 -0.499 -13.734 -1.071
225 HB3 PRO 30 3HB PRO 30 -1.193 -13.049 -2.567
226 HG2 PRO 30 2HG PRO 30 1.488 -13.167 -2.252
227 HG3 PRO 30 3HG PRO 30 0.747 -11.672 -2.909
228 HD2 PRO 30 2HD PRO 30 1.683 -12.230 -0.084
229 HD3 PRO 30 3HD PRO 30 1.908 -10.762 -1.084
230 HA PRO 31 HA PRO 31 -3.506 -11.941 -2.253
231 HB2 PRO 31 2HB PRO 31 -6.192 -12.070 -2.105
232 HB3 PRO 31 3HB PRO 31 -5.179 -13.537 -1.958
233 HG2 PRO 31 2HG PRO 31 -6.363 -11.871 0.293
234 HG3 PRO 31 3HG PRO 31 -6.483 -13.643 0.056
235 HD2 PRO 31 2HD PRO 31 -4.570 -12.520 1.664
236 HD3 PRO 31 3HD PRO 31 -4.246 -13.975 0.689
237 H SER 32 H SER 32 -4.581 -10.124 0.599
238 HA SER 32 HA SER 32 -4.967 -7.650 -0.997
239 HB2 SER 32 2HB SER 32 -7.208 -7.312 -0.092
240 HB3 SER 32 3HB SER 32 -7.115 -8.785 -1.058
241 HG SER 32 HG SER 32 -6.579 -9.460 1.473
242 H SER 33 H SER 33 -2.902 -8.298 0.932
243 HA SER 33 HA SER 33 -3.451 -6.233 3.017
244 HB2 SER 33 2HB SER 33 -2.038 -8.884 3.422
245 HB3 SER 33 3HB SER 33 -2.151 -7.582 4.614
246 HG SER 33 HG SER 33 -3.824 -8.869 5.128
247 H CYS 34 H CYS 34 -1.471 -5.432 4.012
248 HA CYS 34 HA CYS 34 0.859 -5.181 2.121
249 HB2 CYS 34 2HB CYS 34 -0.472 -3.169 1.961
250 HB3 CYS 34 3HB CYS 34 -0.640 -3.075 3.739
251 H ILE 35 H ILE 35 -0.216 -4.932 5.506
252 HA ILE 35 HA ILE 35 0.791 -5.095 7.502
253 HB ILE 35 HB ILE 35 3.029 -6.495 6.037
254 HG12 ILE 35 2HG1 ILE 35 0.570 -7.428 7.592
255 HG13 ILE 35 3HG1 ILE 35 0.968 -7.754 5.908
256 HG21 ILE 35 1HG2 ILE 35 2.553 -6.281 9.052
257 HG22 ILE 35 2HG2 ILE 35 3.813 -7.255 8.264
258 HG23 ILE 35 3HG2 ILE 35 3.883 -5.515 8.156
259 HD11 ILE 35 1HD1 ILE 35 1.311 -9.780 7.147
260 HD12 ILE 35 2HD1 ILE 35 2.914 -9.160 6.720
261 HD13 ILE 35 3HD1 ILE 35 2.280 -8.964 8.373
262 H THR 36 H THR 36 2.985 -3.735 4.965
263 HA THR 36 HA THR 36 4.232 -1.897 6.835
264 HB THR 36 HB THR 36 3.997 -0.611 4.289
265 HG1 THR 36 HG1 THR 36 3.698 -2.383 3.164
266 HG21 THR 36 1HG2 THR 36 6.386 -0.752 4.348
267 HG22 THR 36 2HG2 THR 36 5.858 -0.550 6.016
268 HG23 THR 36 3HG2 THR 36 6.348 -2.157 5.445
269 H VAL 37 H VAL 37 1.279 -1.866 4.931
270 HA VAL 37 HA VAL 37 0.224 0.244 6.758
271 HB VAL 37 HB VAL 37 -0.580 -0.596 3.960
272 HG11 VAL 37 1HG1 VAL 37 -2.165 1.020 5.970
273 HG12 VAL 37 2HG1 VAL 37 -2.448 1.070 4.203
274 HG13 VAL 37 3HG1 VAL 37 -2.678 -0.430 5.100
275 HG21 VAL 37 1HG2 VAL 37 1.171 1.105 4.104
276 HG22 VAL 37 2HG2 VAL 37 -0.326 1.888 3.606
277 HG23 VAL 37 3HG2 VAL 37 0.235 2.030 5.293
278 H GLU 38 H GLU 38 -1.094 -0.322 8.250
279 HA GLU 38 HA GLU 38 -2.092 -2.712 9.118
280 HB2 GLU 38 2HB GLU 38 -2.153 -0.478 10.199
281 HB3 GLU 38 3HB GLU 38 -3.459 0.008 9.113
282 HG2 GLU 38 2HG GLU 38 -4.816 -1.912 10.139
283 HG3 GLU 38 3HG GLU 38 -3.526 -2.041 11.350
284 H SER 39 H SER 39 -3.634 -4.185 8.570
285 HA SER 39 HA SER 39 -4.951 -4.123 6.032
286 HB2 SER 39 2HB SER 39 -5.361 -5.911 8.469
287 HB3 SER 39 3HB SER 39 -6.086 -6.214 6.883
288 HG SER 39 HG SER 39 -4.192 -7.391 7.082
289 HA PRO 40 HA PRO 40 -6.890 -5.195 5.059
290 HB2 PRO 40 2HB PRO 40 -9.063 -4.524 3.595
291 HB3 PRO 40 3HB PRO 40 -9.211 -5.551 5.050
292 HG2 PRO 40 2HG PRO 40 -9.653 -2.553 4.851
293 HG3 PRO 40 3HG PRO 40 -10.739 -3.784 5.574
294 HD2 PRO 40 2HD PRO 40 -8.975 -2.319 7.078
295 HD3 PRO 40 3HD PRO 40 -9.371 -4.019 7.468
296 H ILE 41 H ILE 41 -6.365 -4.714 2.770
297 HA ILE 41 HA ILE 41 -5.784 -1.836 2.284
298 HB ILE 41 HB ILE 41 -3.893 -3.807 2.885
299 HG12 ILE 41 2HG1 ILE 41 -3.818 -1.431 3.380
300 HG13 ILE 41 3HG1 ILE 41 -2.322 -2.052 2.725
301 HG21 ILE 41 1HG2 ILE 41 -3.495 -3.115 -0.047
302 HG22 ILE 41 2HG2 ILE 41 -2.404 -3.998 1.015
303 HG23 ILE 41 3HG2 ILE 41 -3.971 -4.700 0.593
304 HD11 ILE 41 1HD1 ILE 41 -2.812 -1.002 0.531
305 HD12 ILE 41 2HD1 ILE 41 -4.326 -0.343 1.207
306 HD13 ILE 41 3HD1 ILE 41 -2.767 0.165 1.856
307 H SER 42 H SER 42 -5.207 -1.338 0.040
308 HA SER 42 HA SER 42 -7.006 -2.698 -1.924
309 HB2 SER 42 2HB SER 42 -7.856 -0.490 -0.892
310 HB3 SER 42 3HB SER 42 -6.510 0.299 -1.713
311 HG SER 42 HG SER 42 -8.346 0.302 -3.070
312 H GLU 43 H GLU 43 -6.257 -2.386 -4.224
313 HA GLU 43 HA GLU 43 -3.386 -2.076 -4.520
314 HB2 GLU 43 2HB GLU 43 -3.577 -2.316 -6.737
315 HB3 GLU 43 3HB GLU 43 -4.876 -3.341 -6.098
316 HG2 GLU 43 2HG GLU 43 -6.482 -1.450 -6.496
317 HG3 GLU 43 3HG GLU 43 -5.199 -0.547 -7.308
318 H ASN 44 H ASN 44 -5.980 0.195 -4.286
319 HA ASN 44 HA ASN 44 -4.296 2.441 -5.212
320 HB2 ASN 44 2HB ASN 44 -6.240 3.788 -5.233
321 HB3 ASN 44 3HB ASN 44 -6.606 2.281 -6.058
322 HD21 ASN 44 1HD2 ASN 44 -7.001 3.994 -2.954
323 HD22 ASN 44 2HD2 ASN 44 -8.580 3.333 -2.599
324 H GLY 45 H GLY 45 -3.700 0.903 -2.693
325 HA2 GLY 45 2HA GLY 45 -4.128 2.805 -0.501
326 HA3 GLY 45 3HA GLY 45 -3.333 1.234 -0.444
327 H TRP 46 H TRP 46 -2.166 3.430 -2.879
328 HA TRP 46 HA TRP 46 0.430 2.775 -2.209
329 HB2 TRP 46 2HB TRP 46 -0.141 3.428 -4.425
330 HB3 TRP 46 3HB TRP 46 -0.721 4.999 -3.881
331 HD1 TRP 46 HD1 TRP 46 2.707 3.417 -3.115
332 HE1 TRP 46 HE1 TRP 46 4.569 4.981 -3.890
333 HE3 TRP 46 HE3 TRP 46 -0.168 7.120 -5.180
334 HZ2 TRP 46 HZ2 TRP 46 4.794 7.559 -5.179
335 HZ3 TRP 46 HZ3 TRP 46 0.901 9.128 -6.157
336 HH2 TRP 46 HH2 TRP 46 3.372 9.364 -6.162
337 H CYS 47 H CYS 47 1.600 3.220 -0.490
338 HA CYS 47 HA CYS 47 1.463 5.861 0.852
339 HB2 CYS 47 2HB CYS 47 2.063 4.657 2.806
340 HB3 CYS 47 3HB CYS 47 0.970 3.558 1.947
341 H ARG 48 H ARG 48 3.617 6.145 2.215
342 HA ARG 48 HA ARG 48 5.614 6.866 0.141
343 HB2 ARG 48 2HB ARG 48 5.202 7.989 2.923
344 HB3 ARG 48 3HB ARG 48 6.410 8.538 1.747
345 HG2 ARG 48 2HG ARG 48 4.589 9.076 0.125
346 HG3 ARG 48 3HG ARG 48 3.398 8.558 1.309
347 HD2 ARG 48 2HD ARG 48 3.311 10.829 1.534
348 HD3 ARG 48 3HD ARG 48 4.360 10.369 2.867
349 HE ARG 48 HE ARG 48 6.308 11.048 1.430
350 HH11 ARG 48 1HH1 ARG 48 3.211 12.664 0.800
351 HH12 ARG 48 2HH1 ARG 48 4.044 13.885 -0.147
352 HH21 ARG 48 1HH2 ARG 48 7.157 12.720 0.348
353 HH22 ARG 48 2HH2 ARG 48 6.112 13.953 -0.355
354 H LEU 49 H LEU 49 5.295 4.190 1.808
355 HA LEU 49 HA LEU 49 7.965 4.066 3.055
356 HB2 LEU 49 2HB LEU 49 5.767 1.973 2.936
357 HB3 LEU 49 3HB LEU 49 7.196 1.949 3.962
358 HG LEU 49 HG LEU 49 4.860 3.905 4.138
359 HD11 LEU 49 1HD1 LEU 49 5.868 1.734 6.016
360 HD12 LEU 49 2HD1 LEU 49 4.521 2.828 6.348
361 HD13 LEU 49 3HD1 LEU 49 4.390 1.666 5.017
362 HD21 LEU 49 1HD2 LEU 49 7.317 3.769 5.930
363 HD22 LEU 49 2HD2 LEU 49 6.951 5.082 4.780
364 HD23 LEU 49 3HD2 LEU 49 5.894 4.797 6.158
365 H TYR 50 H TYR 50 6.280 2.265 0.432
366 HA TYR 50 HA TYR 50 8.974 1.336 -0.513
367 HB2 TYR 50 2HB TYR 50 6.480 -0.247 0.071
368 HB3 TYR 50 3HB TYR 50 7.603 -0.784 -1.158
369 HD1 TYR 50 HD1 TYR 50 10.202 -0.740 -0.391
370 HD2 TYR 50 HD2 TYR 50 6.774 -1.234 2.176
371 HE1 TYR 50 HE1 TYR 50 11.625 -1.922 1.284
372 HE2 TYR 50 HE2 TYR 50 8.207 -2.394 3.857
373 HH TYR 50 HH TYR 50 10.331 -3.145 4.389
374 H ALA 51 H ALA 51 5.602 1.076 -1.813
375 HA ALA 51 HA ALA 51 6.603 0.811 -4.404
376 HB1 ALA 51 1HB ALA 51 3.807 1.669 -3.624
377 HB2 ALA 51 2HB ALA 51 4.313 0.843 -5.111
378 HB3 ALA 51 3HB ALA 51 4.419 0.013 -3.564
379 H GLY 52 H GLY 52 6.342 2.090 -6.334
380 HA2 GLY 52 2HA GLY 52 6.401 3.963 -7.647
381 HA3 GLY 52 3HA GLY 52 5.796 4.917 -6.291
382 H LYS 53 H LYS 53 8.502 3.625 -4.982
383 HA LYS 53 HA LYS 53 10.245 5.901 -5.364
384 HB2 LYS 53 2HB LYS 53 10.604 3.155 -4.120
385 HB3 LYS 53 3HB LYS 53 11.915 4.335 -4.208
386 HG2 LYS 53 2HG LYS 53 10.566 5.973 -2.949
387 HG3 LYS 53 3HG LYS 53 9.235 4.807 -2.829
388 HD2 LYS 53 2HD LYS 53 10.640 3.270 -1.541
389 HD3 LYS 53 3HD LYS 53 12.051 4.326 -1.755
390 HE2 LYS 53 2HE LYS 53 10.907 6.133 -0.510
391 HE3 LYS 53 3HE LYS 53 9.488 5.093 -0.282
392 HZ1 LYS 53 1HZ LYS 53 12.220 4.454 0.715
393 HZ2 LYS 53 2HZ LYS 53 11.042 5.066 1.654
394 HZ3 LYS 53 3HZ LYS 53 10.854 3.573 0.986
395 H ALA 54 H ALA 54 12.504 5.655 -6.065
396 HA ALA 54 HA ALA 54 13.799 5.938 -7.867
397 HB1 ALA 54 1HB ALA 54 12.954 3.141 -8.680
398 HB2 ALA 54 2HB ALA 54 14.418 4.009 -9.184
399 HB3 ALA 54 3HB ALA 54 14.214 3.536 -7.495
Start of MODEL 12
1 H1 VAL 1 1H VAL 1 9.345 -8.938 16.766
2 H2 VAL 1 2H VAL 1 8.221 -10.131 16.919
3 H3 VAL 1 3H VAL 1 7.754 -8.566 16.730
4 HA VAL 1 HA VAL 1 9.309 -10.022 14.716
5 HB VAL 1 HB VAL 1 7.174 -10.061 13.354
6 HG11 VAL 1 1HG1 VAL 1 6.501 -12.235 14.343
7 HG12 VAL 1 2HG1 VAL 1 8.239 -12.047 14.091
8 HG13 VAL 1 3HG1 VAL 1 7.571 -11.905 15.721
9 HG21 VAL 1 1HG2 VAL 1 5.688 -8.682 14.775
10 HG22 VAL 1 2HG2 VAL 1 5.056 -10.314 14.552
11 HG23 VAL 1 3HG2 VAL 1 5.814 -9.879 16.081
12 H THR 2 H THR 2 9.968 -8.819 12.983
13 HA THR 2 HA THR 2 9.523 -5.947 13.030
14 HB THR 2 HB THR 2 10.757 -7.556 10.775
15 HG1 THR 2 HG1 THR 2 12.322 -7.900 12.002
16 HG21 THR 2 1HG2 THR 2 12.054 -5.473 10.414
17 HG22 THR 2 2HG2 THR 2 10.321 -5.195 10.198
18 HG23 THR 2 3HG2 THR 2 11.121 -4.668 11.694
19 H LYS 3 H LYS 3 7.368 -5.414 12.735
20 HA LYS 3 HA LYS 3 6.254 -5.694 10.017
21 HB2 LYS 3 2HB LYS 3 4.554 -6.476 12.427
22 HB3 LYS 3 3HB LYS 3 4.080 -6.481 10.729
23 HG2 LYS 3 2HG LYS 3 5.928 -8.258 10.388
24 HG3 LYS 3 3HG LYS 3 5.989 -8.362 12.151
25 HD2 LYS 3 2HD LYS 3 3.502 -8.930 12.070
26 HD3 LYS 3 3HD LYS 3 3.653 -8.988 10.308
27 HE2 LYS 3 2HE LYS 3 5.614 -10.645 10.702
28 HE3 LYS 3 3HE LYS 3 5.051 -10.749 12.376
29 HZ1 LYS 3 1HZ LYS 3 4.119 -12.519 11.123
30 HZ2 LYS 3 2HZ LYS 3 2.872 -11.506 11.443
31 HZ3 LYS 3 3HZ LYS 3 3.572 -11.514 9.935
32 H LYS 4 H LYS 4 4.971 -4.004 9.403
33 HA LYS 4 HA LYS 4 4.597 -1.700 11.286
34 HB2 LYS 4 2HB LYS 4 6.582 -1.472 9.841
35 HB3 LYS 4 3HB LYS 4 5.624 -1.818 8.424
36 HG2 LYS 4 2HG LYS 4 5.934 0.450 8.285
37 HG3 LYS 4 3HG LYS 4 4.311 0.353 8.969
38 HD2 LYS 4 2HD LYS 4 5.277 0.752 11.225
39 HD3 LYS 4 3HD LYS 4 6.895 0.843 10.514
40 HE2 LYS 4 2HE LYS 4 6.197 2.741 9.100
41 HE3 LYS 4 3HE LYS 4 4.557 2.669 9.773
42 HZ1 LYS 4 1HZ LYS 4 6.992 3.151 11.390
43 HZ2 LYS 4 2HZ LYS 4 6.058 4.362 10.805
44 HZ3 LYS 4 3HZ LYS 4 5.430 3.297 11.913
45 H ALA 5 H ALA 5 2.677 -0.512 11.044
46 HA ALA 5 HA ALA 5 0.775 -1.211 8.914
47 HB1 ALA 5 1HB ALA 5 0.175 -1.864 11.821
48 HB2 ALA 5 2HB ALA 5 -0.939 -2.032 10.444
49 HB3 ALA 5 3HB ALA 5 0.501 -3.039 10.524
50 H SER 6 H SER 6 1.628 1.156 8.791
51 HA SER 6 HA SER 6 -0.496 2.893 9.978
52 HB2 SER 6 2HB SER 6 1.464 3.335 11.299
53 HB3 SER 6 3HB SER 6 2.429 3.639 9.837
54 HG SER 6 HG SER 6 1.242 5.440 11.110
55 H HIS 7 H HIS 7 -1.731 3.254 8.327
56 HA HIS 7 HA HIS 7 -1.090 3.905 5.647
57 HB2 HIS 7 2HB HIS 7 -3.375 4.753 5.564
58 HB3 HIS 7 3HB HIS 7 -3.362 3.290 6.537
59 HD2 HIS 7 HD2 HIS 7 -4.897 6.581 6.600
60 HE1 HIS 7 HE1 HIS 7 -4.369 5.742 10.745
61 HE2 HIS 7 HE2 HIS 7 -5.540 7.249 9.080
62 H LYS 8 H LYS 8 -0.366 5.699 8.393
63 HA LYS 8 HA LYS 8 -0.631 8.329 7.008
64 HB2 LYS 8 2HB LYS 8 -2.145 7.800 8.990
65 HB3 LYS 8 3HB LYS 8 -0.714 7.873 10.011
66 HG2 LYS 8 2HG LYS 8 -2.040 9.955 10.035
67 HG3 LYS 8 3HG LYS 8 -0.399 10.244 9.447
68 HD2 LYS 8 2HD LYS 8 -1.189 10.366 7.147
69 HD3 LYS 8 3HD LYS 8 -2.818 9.847 7.623
70 HE2 LYS 8 2HE LYS 8 -3.166 11.915 8.855
71 HE3 LYS 8 3HE LYS 8 -1.483 12.411 8.584
72 HZ1 LYS 8 1HZ LYS 8 -3.408 11.918 6.378
73 HZ2 LYS 8 2HZ LYS 8 -3.119 13.419 6.993
74 HZ3 LYS 8 3HZ LYS 8 -1.921 12.545 6.237
75 H ASP 9 H ASP 9 1.644 6.401 8.926
76 HA ASP 9 HA ASP 9 3.757 8.426 8.530
77 HB2 ASP 9 2HB ASP 9 3.684 6.795 10.463
78 HB3 ASP 9 3HB ASP 9 4.050 5.505 9.320
79 H ALA 10 H ALA 10 2.760 5.300 7.019
80 HA ALA 10 HA ALA 10 4.739 5.499 4.910
81 HB1 ALA 10 1HB ALA 10 2.266 3.744 5.039
82 HB2 ALA 10 2HB ALA 10 3.724 3.502 4.063
83 HB3 ALA 10 3HB ALA 10 3.816 3.365 5.828
84 H GLY 11 H GLY 11 1.617 6.955 5.362
85 HA2 GLY 11 2HA GLY 11 0.343 8.319 4.010
86 HA3 GLY 11 3HA GLY 11 1.736 8.435 2.934
87 H TYR 12 H TYR 12 -0.632 5.849 3.801
88 HA TYR 12 HA TYR 12 -0.875 4.953 0.987
89 HB2 TYR 12 2HB TYR 12 -0.838 3.215 2.514
90 HB3 TYR 12 3HB TYR 12 -1.981 3.968 3.601
91 HD1 TYR 12 HD1 TYR 12 -1.589 1.963 0.529
92 HD2 TYR 12 HD2 TYR 12 -4.398 3.859 3.210
93 HE1 TYR 12 HE1 TYR 12 -3.406 0.526 -0.345
94 HE2 TYR 12 HE2 TYR 12 -6.216 2.427 2.310
95 HH TYR 12 HH TYR 12 -6.722 0.626 1.004
96 H GLN 13 H GLN 13 -2.340 5.531 -0.394
97 HA GLN 13 HA GLN 13 -4.620 7.258 0.469
98 HB2 GLN 13 2HB GLN 13 -2.788 7.884 -1.855
99 HB3 GLN 13 3HB GLN 13 -4.126 8.850 -1.198
100 HG2 GLN 13 2HG GLN 13 -2.790 9.086 0.941
101 HG3 GLN 13 3HG GLN 13 -1.424 8.376 0.077
102 HE21 GLN 13 1HE2 GLN 13 -1.120 10.913 1.102
103 HE22 GLN 13 2HE2 GLN 13 -1.038 12.047 -0.251
104 H GLU 14 H GLU 14 -5.251 7.827 -2.335
105 HA GLU 14 HA GLU 14 -6.668 5.258 -2.900
106 HB2 GLU 14 2HB GLU 14 -8.634 6.585 -3.393
107 HB3 GLU 14 3HB GLU 14 -8.064 6.895 -1.750
108 HG2 GLU 14 2HG GLU 14 -6.920 8.972 -2.584
109 HG3 GLU 14 3HG GLU 14 -7.617 8.682 -4.179
110 H SER 15 H SER 15 -4.489 7.416 -4.322
111 HA SER 15 HA SER 15 -5.189 6.386 -7.036
112 HB2 SER 15 2HB SER 15 -5.625 8.880 -6.581
113 HB3 SER 15 3HB SER 15 -3.862 9.056 -6.553
114 HG SER 15 HG SER 15 -4.626 9.404 -8.625
115 HA PRO 16 HA PRO 16 -0.984 4.808 -6.418
116 HB2 PRO 16 2HB PRO 16 -1.371 3.853 -9.251
117 HB3 PRO 16 3HB PRO 16 -0.746 2.957 -7.831
118 HG2 PRO 16 2HG PRO 16 -3.272 2.540 -8.673
119 HG3 PRO 16 3HG PRO 16 -2.939 2.727 -6.917
120 HD2 PRO 16 2HD PRO 16 -3.942 4.836 -8.865
121 HD3 PRO 16 3HD PRO 16 -4.579 4.387 -7.252
122 H ASN 17 H ASN 17 1.153 4.905 -7.531
123 HA ASN 17 HA ASN 17 1.697 7.443 -8.921
124 HB2 ASN 17 2HB ASN 17 3.257 6.529 -7.239
125 HB3 ASN 17 3HB ASN 17 3.396 5.037 -8.133
126 HD21 ASN 17 1HD2 ASN 17 4.461 8.426 -8.016
127 HD22 ASN 17 2HD2 ASN 17 5.690 8.180 -9.255
128 H GLY 18 H GLY 18 2.631 7.479 -11.146
129 HA2 GLY 18 2HA GLY 18 1.200 5.977 -13.060
130 HA3 GLY 18 3HA GLY 18 2.676 6.896 -13.366
131 H ALA 19 H ALA 19 4.188 5.085 -11.424
132 HA ALA 19 HA ALA 19 4.411 2.631 -13.114
133 HB1 ALA 19 1HB ALA 19 6.551 4.103 -11.538
134 HB2 ALA 19 2HB ALA 19 6.790 2.663 -12.547
135 HB3 ALA 19 3HB ALA 19 6.309 4.195 -13.296
136 H LYS 20 H LYS 20 3.561 3.601 -9.897
137 HA LYS 20 HA LYS 20 4.099 0.839 -8.880
138 HB2 LYS 20 2HB LYS 20 4.875 3.401 -7.438
139 HB3 LYS 20 3HB LYS 20 4.959 1.771 -6.768
140 HG2 LYS 20 2HG LYS 20 6.601 1.117 -8.508
141 HG3 LYS 20 3HG LYS 20 6.520 2.746 -9.196
142 HD2 LYS 20 2HD LYS 20 7.346 3.685 -7.042
143 HD3 LYS 20 3HD LYS 20 7.566 2.028 -6.425
144 HE2 LYS 20 2HE LYS 20 9.138 1.521 -8.256
145 HE3 LYS 20 3HE LYS 20 8.796 3.085 -9.010
146 HZ1 LYS 20 1HZ LYS 20 10.243 2.705 -6.440
147 HZ2 LYS 20 2HZ LYS 20 10.838 3.255 -7.859
148 HZ3 LYS 20 3HZ LYS 20 9.766 4.160 -7.050
149 H ARG 21 H ARG 21 2.642 -0.085 -7.768
150 HA ARG 21 HA ARG 21 0.569 1.408 -6.244
151 HB2 ARG 21 2HB ARG 21 -1.195 0.165 -7.048
152 HB3 ARG 21 3HB ARG 21 -0.261 0.438 -8.494
153 HG2 ARG 21 2HG ARG 21 0.702 -1.859 -8.330
154 HG3 ARG 21 3HG ARG 21 -0.198 -2.133 -6.824
155 HD2 ARG 21 2HD ARG 21 -1.285 -3.217 -8.725
156 HD3 ARG 21 3HD ARG 21 -2.324 -2.003 -7.971
157 HE ARG 21 HE ARG 21 -0.990 -0.698 -10.088
158 HH11 ARG 21 1HH1 ARG 21 -3.386 -3.327 -9.926
159 HH12 ARG 21 2HH1 ARG 21 -4.055 -2.761 -11.464
160 HH21 ARG 21 1HH2 ARG 21 -1.947 -0.185 -11.914
161 HH22 ARG 21 2HH2 ARG 21 -3.352 -1.097 -12.484
162 H CYS 22 H CYS 22 -0.670 -0.357 -4.847
163 HA CYS 22 HA CYS 22 1.203 -1.280 -2.864
164 HB2 CYS 22 2HB CYS 22 -1.749 -1.680 -3.379
165 HB3 CYS 22 3HB CYS 22 -0.913 -2.481 -2.071
166 H GLY 23 H GLY 23 2.636 -2.775 -3.236
167 HA2 GLY 23 2HA GLY 23 3.159 -5.136 -3.544
168 HA3 GLY 23 3HA GLY 23 1.993 -5.211 -4.861
169 H THR 24 H THR 24 3.251 -2.421 -5.790
170 HA THR 24 HA THR 24 5.637 -3.534 -7.170
171 HB THR 24 HB THR 24 5.009 -0.626 -7.320
172 HG1 THR 24 HG1 THR 24 3.399 -2.608 -8.548
173 HG21 THR 24 1HG2 THR 24 5.544 -0.992 -9.701
174 HG22 THR 24 2HG2 THR 24 6.829 -1.624 -8.664
175 HG23 THR 24 3HG2 THR 24 5.671 -2.737 -9.421
176 H CYS 25 H CYS 25 4.855 -1.793 -4.304
177 HA CYS 25 HA CYS 25 7.517 -1.023 -3.419
178 HB2 CYS 25 2HB CYS 25 6.281 -1.216 -1.235
179 HB3 CYS 25 3HB CYS 25 5.358 -0.255 -2.397
180 H ARG 26 H ARG 26 5.864 -3.956 -4.015
181 HA ARG 26 HA ARG 26 6.027 -6.134 -3.615
182 HB2 ARG 26 2HB ARG 26 8.911 -5.754 -2.799
183 HB3 ARG 26 3HB ARG 26 8.103 -7.230 -3.340
184 HG2 ARG 26 2HG ARG 26 7.548 -5.915 -5.520
185 HG3 ARG 26 3HG ARG 26 8.771 -4.749 -4.988
186 HD2 ARG 26 2HD ARG 26 9.161 -7.715 -5.415
187 HD3 ARG 26 3HD ARG 26 9.641 -6.464 -6.563
188 HE ARG 26 HE ARG 26 11.427 -5.799 -5.181
189 HH11 ARG 26 1HH1 ARG 26 9.932 -8.725 -3.807
190 HH12 ARG 26 2HH1 ARG 26 11.224 -8.797 -2.605
191 HH21 ARG 26 1HH2 ARG 26 12.946 -6.094 -3.597
192 HH22 ARG 26 2HH2 ARG 26 12.808 -7.516 -2.553
193 H GLN 27 H GLN 27 5.182 -4.278 -1.524
194 HA GLN 27 HA GLN 27 5.505 -5.975 0.906
195 HB2 GLN 27 2HB GLN 27 4.605 -3.115 0.635
196 HB3 GLN 27 3HB GLN 27 4.977 -3.926 2.135
197 HG2 GLN 27 2HG GLN 27 6.853 -2.932 -0.005
198 HG3 GLN 27 3HG GLN 27 6.799 -2.495 1.684
199 HE21 GLN 27 1HE2 GLN 27 8.720 -4.010 -0.476
200 HE22 GLN 27 2HE2 GLN 27 9.508 -5.148 0.626
201 H PHE 28 H PHE 28 3.214 -5.593 -1.518
202 HA PHE 28 HA PHE 28 0.797 -5.677 0.103
203 HB2 PHE 28 2HB PHE 28 0.688 -4.936 -2.170
204 HB3 PHE 28 3HB PHE 28 1.331 -6.459 -2.776
205 HD1 PHE 28 HD1 PHE 28 -1.643 -4.712 -1.475
206 HD2 PHE 28 HD2 PHE 28 -0.086 -8.478 -2.892
207 HE1 PHE 28 HE1 PHE 28 -3.954 -5.532 -1.842
208 HE2 PHE 28 HE2 PHE 28 -2.404 -9.304 -3.235
209 HZ PHE 28 HZ PHE 28 -4.339 -7.814 -2.739
210 H ARG 29 H ARG 29 -0.289 -7.347 0.876
211 HA ARG 29 HA ARG 29 1.022 -10.040 1.010
212 HB2 ARG 29 2HB ARG 29 0.271 -7.988 3.061
213 HB3 ARG 29 3HB ARG 29 -0.089 -9.625 3.455
214 HG2 ARG 29 2HG ARG 29 2.410 -10.131 2.792
215 HG3 ARG 29 3HG ARG 29 2.602 -8.380 2.843
216 HD2 ARG 29 2HD ARG 29 3.264 -9.254 4.990
217 HD3 ARG 29 3HD ARG 29 1.735 -8.410 5.213
218 HE ARG 29 HE ARG 29 0.696 -10.430 5.762
219 HH11 ARG 29 1HH1 ARG 29 3.930 -11.226 4.649
220 HH12 ARG 29 2HH1 ARG 29 3.822 -12.852 5.263
221 HH21 ARG 29 1HH2 ARG 29 0.571 -12.397 6.389
222 HH22 ARG 29 2HH2 ARG 29 1.803 -13.609 6.038
223 HA PRO 30 HA PRO 30 -3.089 -10.800 -0.653
224 HB2 PRO 30 2HB PRO 30 -1.991 -13.624 -0.636
225 HB3 PRO 30 3HB PRO 30 -3.007 -12.832 -1.877
226 HG2 PRO 30 2HG PRO 30 -0.350 -12.985 -2.256
227 HG3 PRO 30 3HG PRO 30 -1.167 -11.417 -2.556
228 HD2 PRO 30 2HD PRO 30 0.380 -12.292 -0.101
229 HD3 PRO 30 3HD PRO 30 0.467 -10.748 -1.004
230 HA PRO 31 HA PRO 31 -5.102 -11.808 -1.042
231 HB2 PRO 31 2HB PRO 31 -7.689 -11.551 -0.300
232 HB3 PRO 31 3HB PRO 31 -6.872 -13.140 -0.392
233 HG2 PRO 31 2HG PRO 31 -7.327 -11.424 2.073
234 HG3 PRO 31 3HG PRO 31 -7.664 -13.170 1.864
235 HD2 PRO 31 2HD PRO 31 -5.344 -12.256 3.013
236 HD3 PRO 31 3HD PRO 31 -5.384 -13.731 2.006
237 H SER 32 H SER 32 -5.645 -9.871 1.934
238 HA SER 32 HA SER 32 -5.858 -7.359 0.335
239 HB2 SER 32 2HB SER 32 -7.911 -8.278 2.385
240 HB3 SER 32 3HB SER 32 -7.934 -6.760 1.468
241 HG SER 32 HG SER 32 -8.098 -7.993 -0.446
242 H SER 33 H SER 33 -3.618 -8.067 1.854
243 HA SER 33 HA SER 33 -3.729 -6.181 4.170
244 HB2 SER 33 2HB SER 33 -2.197 -8.793 4.063
245 HB3 SER 33 3HB SER 33 -2.358 -7.695 5.433
246 HG SER 33 HG SER 33 -3.722 -9.505 5.586
247 H CYS 34 H CYS 34 -1.508 -5.570 4.914
248 HA CYS 34 HA CYS 34 0.612 -5.498 2.827
249 HB2 CYS 34 2HB CYS 34 -0.578 -3.481 2.362
250 HB3 CYS 34 3HB CYS 34 -0.767 -3.098 4.081
251 H ILE 35 H ILE 35 2.701 -5.113 3.645
252 HA ILE 35 HA ILE 35 3.009 -5.657 6.553
253 HB ILE 35 HB ILE 35 4.068 -7.221 5.033
254 HG12 ILE 35 2HG1 ILE 35 6.245 -7.389 6.014
255 HG13 ILE 35 3HG1 ILE 35 6.209 -5.697 6.495
256 HG21 ILE 35 1HG2 ILE 35 6.164 -6.583 3.853
257 HG22 ILE 35 2HG2 ILE 35 4.712 -5.884 3.175
258 HG23 ILE 35 3HG2 ILE 35 5.794 -4.876 4.169
259 HD11 ILE 35 1HD1 ILE 35 4.472 -6.197 8.179
260 HD12 ILE 35 2HD1 ILE 35 4.312 -7.857 7.551
261 HD13 ILE 35 3HD1 ILE 35 5.809 -7.348 8.352
262 H THR 36 H THR 36 2.762 -2.959 4.745
263 HA THR 36 HA THR 36 4.305 -1.380 6.767
264 HB THR 36 HB THR 36 3.293 -0.062 4.278
265 HG1 THR 36 HG1 THR 36 4.405 -1.275 3.111
266 HG21 THR 36 1HG2 THR 36 5.219 1.354 4.626
267 HG22 THR 36 2HG2 THR 36 4.444 1.157 6.195
268 HG23 THR 36 3HG2 THR 36 5.910 0.233 5.817
269 H VAL 37 H VAL 37 1.136 -1.974 5.363
270 HA VAL 37 HA VAL 37 -0.066 0.108 7.150
271 HB VAL 37 HB VAL 37 -0.916 -0.590 4.321
272 HG11 VAL 37 1HG1 VAL 37 -1.883 1.500 6.316
273 HG12 VAL 37 2HG1 VAL 37 -2.308 1.496 4.590
274 HG13 VAL 37 3HG1 VAL 37 -2.839 0.177 5.627
275 HG21 VAL 37 1HG2 VAL 37 1.178 0.668 4.268
276 HG22 VAL 37 2HG2 VAL 37 -0.128 1.735 3.845
277 HG23 VAL 37 3HG2 VAL 37 0.571 1.824 5.479
278 H GLU 38 H GLU 38 -2.143 -0.245 7.975
279 HA GLU 38 HA GLU 38 -2.651 -3.005 8.745
280 HB2 GLU 38 2HB GLU 38 -2.898 -0.938 10.185
281 HB3 GLU 38 3HB GLU 38 -4.310 -0.512 9.215
282 HG2 GLU 38 2HG GLU 38 -5.458 -2.560 9.969
283 HG3 GLU 38 3HG GLU 38 -3.993 -3.084 10.818
284 H SER 39 H SER 39 -4.335 -4.359 8.128
285 HA SER 39 HA SER 39 -5.561 -3.882 5.569
286 HB2 SER 39 2HB SER 39 -6.554 -6.116 5.900
287 HB3 SER 39 3HB SER 39 -4.828 -6.096 6.262
288 HG SER 39 HG SER 39 -5.827 -7.200 7.873
289 HA PRO 40 HA PRO 40 -7.783 -5.004 4.615
290 HB2 PRO 40 2HB PRO 40 -9.741 -3.791 3.193
291 HB3 PRO 40 3HB PRO 40 -10.092 -4.901 4.555
292 HG2 PRO 40 2HG PRO 40 -9.983 -1.867 4.623
293 HG3 PRO 40 3HG PRO 40 -11.288 -2.941 5.226
294 HD2 PRO 40 2HD PRO 40 -9.361 -1.976 6.882
295 HD3 PRO 40 3HD PRO 40 -9.998 -3.636 7.075
296 H ILE 41 H ILE 41 -6.728 -4.686 2.665
297 HA ILE 41 HA ILE 41 -6.054 -1.911 1.850
298 HB ILE 41 HB ILE 41 -4.203 -3.660 2.958
299 HG12 ILE 41 2HG1 ILE 41 -2.481 -2.104 1.972
300 HG13 ILE 41 3HG1 ILE 41 -3.765 -1.361 1.026
301 HG21 ILE 41 1HG2 ILE 41 -3.699 -3.693 -0.047
302 HG22 ILE 41 2HG2 ILE 41 -2.633 -4.293 1.210
303 HG23 ILE 41 3HG2 ILE 41 -4.180 -5.104 0.922
304 HD11 ILE 41 1HD1 ILE 41 -3.615 -1.506 4.074
305 HD12 ILE 41 2HD1 ILE 41 -3.224 -0.091 3.071
306 HD13 ILE 41 3HD1 ILE 41 -4.890 -0.668 3.159
307 H SER 42 H SER 42 -5.930 -1.399 -0.218
308 HA SER 42 HA SER 42 -7.048 -3.256 -2.257
309 HB2 SER 42 2HB SER 42 -7.828 -0.830 -1.957
310 HB3 SER 42 3HB SER 42 -6.245 -0.335 -2.543
311 HG SER 42 HG SER 42 -8.347 -1.055 -3.993
312 H GLU 43 H GLU 43 -5.806 -3.707 -4.226
313 HA GLU 43 HA GLU 43 -2.896 -3.212 -4.022
314 HB2 GLU 43 2HB GLU 43 -2.557 -4.195 -6.066
315 HB3 GLU 43 3HB GLU 43 -3.674 -5.217 -5.168
316 HG2 GLU 43 2HG GLU 43 -5.535 -4.499 -6.564
317 HG3 GLU 43 3HG GLU 43 -4.543 -3.251 -7.344
318 H ASN 44 H ASN 44 -5.695 -1.482 -5.145
319 HA ASN 44 HA ASN 44 -4.179 0.320 -6.913
320 HB2 ASN 44 2HB ASN 44 -6.460 -0.763 -7.409
321 HB3 ASN 44 3HB ASN 44 -7.140 0.373 -6.253
322 HD21 ASN 44 1HD2 ASN 44 -8.100 2.057 -7.354
323 HD22 ASN 44 2HD2 ASN 44 -7.455 2.775 -8.835
324 H GLY 45 H GLY 45 -3.684 0.324 -3.960
325 HA2 GLY 45 2HA GLY 45 -4.579 2.978 -2.990
326 HA3 GLY 45 3HA GLY 45 -3.647 1.783 -2.141
327 H TRP 46 H TRP 46 -1.496 1.382 -2.919
328 HA TRP 46 HA TRP 46 0.613 1.948 -2.924
329 HB2 TRP 46 2HB TRP 46 0.149 3.067 -5.196
330 HB3 TRP 46 3HB TRP 46 0.119 4.567 -4.324
331 HD1 TRP 46 HD1 TRP 46 2.617 1.592 -4.084
332 HE1 TRP 46 HE1 TRP 46 4.989 2.517 -4.119
333 HE3 TRP 46 HE3 TRP 46 1.564 6.553 -4.796
334 HZ2 TRP 46 HZ2 TRP 46 6.299 5.052 -4.542
335 HZ3 TRP 46 HZ3 TRP 46 3.405 8.217 -4.879
336 HH2 TRP 46 HH2 TRP 46 5.772 7.472 -4.772
337 H CYS 47 H CYS 47 1.623 2.420 -1.110
338 HA CYS 47 HA CYS 47 0.999 4.983 0.248
339 HB2 CYS 47 2HB CYS 47 2.009 4.207 2.198
340 HB3 CYS 47 3HB CYS 47 1.149 2.779 1.614
341 H ARG 48 H ARG 48 2.616 6.383 0.737
342 HA ARG 48 HA ARG 48 4.424 6.778 -1.561
343 HB2 ARG 48 2HB ARG 48 3.663 8.474 0.855
344 HB3 ARG 48 3HB ARG 48 4.698 9.018 -0.446
345 HG2 ARG 48 2HG ARG 48 2.001 9.444 -0.262
346 HG3 ARG 48 3HG ARG 48 3.016 9.682 -1.680
347 HD2 ARG 48 2HD ARG 48 2.352 7.334 -2.401
348 HD3 ARG 48 3HD ARG 48 1.153 7.356 -1.105
349 HE ARG 48 HE ARG 48 1.030 9.701 -2.828
350 HH11 ARG 48 1HH1 ARG 48 -0.263 6.358 -2.602
351 HH12 ARG 48 2HH1 ARG 48 -1.345 6.688 -3.928
352 HH21 ARG 48 1HH2 ARG 48 -0.619 9.958 -4.330
353 HH22 ARG 48 2HH2 ARG 48 -1.522 8.536 -4.828
354 H LEU 49 H LEU 49 4.745 5.231 1.444
355 HA LEU 49 HA LEU 49 7.677 5.343 1.330
356 HB2 LEU 49 2HB LEU 49 6.980 7.435 2.532
357 HB3 LEU 49 3HB LEU 49 6.178 6.451 3.735
358 HG LEU 49 HG LEU 49 8.441 5.424 4.305
359 HD11 LEU 49 1HD1 LEU 49 9.649 5.883 2.200
360 HD12 LEU 49 2HD1 LEU 49 9.462 7.632 2.472
361 HD13 LEU 49 3HD1 LEU 49 10.452 6.649 3.571
362 HD21 LEU 49 1HD2 LEU 49 7.490 7.245 5.623
363 HD22 LEU 49 2HD2 LEU 49 9.244 7.433 5.495
364 HD23 LEU 49 3HD2 LEU 49 8.173 8.447 4.502
365 H TYR 50 H TYR 50 6.824 3.231 0.720
366 HA TYR 50 HA TYR 50 5.765 1.373 2.544
367 HB2 TYR 50 2HB TYR 50 6.510 -0.261 0.752
368 HB3 TYR 50 3HB TYR 50 5.376 0.991 0.316
369 HD1 TYR 50 HD1 TYR 50 5.926 2.826 -1.174
370 HD2 TYR 50 HD2 TYR 50 8.776 -0.287 -0.263
371 HE1 TYR 50 HE1 TYR 50 7.334 3.540 -3.097
372 HE2 TYR 50 HE2 TYR 50 10.143 0.388 -2.237
373 HH TYR 50 HH TYR 50 9.259 3.206 -4.254
374 H ALA 51 H ALA 51 6.642 -0.625 3.289
375 HA ALA 51 HA ALA 51 9.216 -0.556 4.547
376 HB1 ALA 51 1HB ALA 51 7.244 -2.839 4.143
377 HB2 ALA 51 2HB ALA 51 8.611 -2.837 5.276
378 HB3 ALA 51 3HB ALA 51 7.269 -1.712 5.514
379 H GLY 52 H GLY 52 10.637 -2.645 4.310
380 HA2 GLY 52 2HA GLY 52 12.011 -4.001 2.981
381 HA3 GLY 52 3HA GLY 52 11.156 -3.483 1.526
382 H LYS 53 H LYS 53 12.047 -0.843 3.454
383 HA LYS 53 HA LYS 53 14.364 -0.121 1.717
384 HB2 LYS 53 2HB LYS 53 12.582 1.553 3.533
385 HB3 LYS 53 3HB LYS 53 13.942 2.183 2.597
386 HG2 LYS 53 2HG LYS 53 12.804 1.596 0.483
387 HG3 LYS 53 3HG LYS 53 11.452 0.889 1.392
388 HD2 LYS 53 2HD LYS 53 11.090 3.112 2.497
389 HD3 LYS 53 3HD LYS 53 12.311 3.820 1.444
390 HE2 LYS 53 2HE LYS 53 9.871 2.358 0.339
391 HE3 LYS 53 3HE LYS 53 9.782 4.038 0.869
392 HZ1 LYS 53 1HZ LYS 53 10.241 4.119 -1.418
393 HZ2 LYS 53 2HZ LYS 53 11.632 4.531 -0.698
394 HZ3 LYS 53 3HZ LYS 53 11.480 3.042 -1.354
395 H ALA 54 H ALA 54 16.254 0.661 2.581
396 HA ALA 54 HA ALA 54 18.153 0.389 3.770
397 HB1 ALA 54 1HB ALA 54 16.450 1.581 5.970
398 HB2 ALA 54 2HB ALA 54 18.207 1.710 5.791
399 HB3 ALA 54 3HB ALA 54 17.146 2.480 4.598
Start of MODEL 13
1 H1 VAL 1 1H VAL 1 17.335 -6.322 4.350
2 H2 VAL 1 2H VAL 1 18.600 -6.094 5.365
3 H3 VAL 1 3H VAL 1 17.699 -4.796 4.862
4 HA VAL 1 HA VAL 1 16.705 -7.034 6.484
5 HB VAL 1 HB VAL 1 16.379 -5.341 8.289
6 HG11 VAL 1 1HG1 VAL 1 18.174 -7.045 8.309
7 HG12 VAL 1 2HG1 VAL 1 19.271 -5.903 7.500
8 HG13 VAL 1 3HG1 VAL 1 18.650 -5.551 9.126
9 HG21 VAL 1 1HG2 VAL 1 16.714 -3.253 6.930
10 HG22 VAL 1 2HG2 VAL 1 17.742 -3.342 8.364
11 HG23 VAL 1 3HG2 VAL 1 18.435 -3.669 6.768
12 H THR 2 H THR 2 14.561 -7.087 6.952
13 HA THR 2 HA THR 2 12.754 -5.886 5.023
14 HB THR 2 HB THR 2 11.002 -7.051 6.456
15 HG1 THR 2 HG1 THR 2 11.948 -7.181 8.406
16 HG21 THR 2 1HG2 THR 2 13.352 -8.755 5.516
17 HG22 THR 2 2HG2 THR 2 11.693 -9.315 5.797
18 HG23 THR 2 3HG2 THR 2 12.021 -8.156 4.500
19 H LYS 3 H LYS 3 11.170 -4.325 5.314
20 HA LYS 3 HA LYS 3 10.601 -3.272 8.005
21 HB2 LYS 3 2HB LYS 3 12.507 -1.904 7.142
22 HB3 LYS 3 3HB LYS 3 11.521 -1.431 5.753
23 HG2 LYS 3 2HG LYS 3 9.918 -0.303 7.267
24 HG3 LYS 3 3HG LYS 3 10.837 -0.868 8.680
25 HD2 LYS 3 2HD LYS 3 12.811 0.416 7.931
26 HD3 LYS 3 3HD LYS 3 11.924 0.947 6.485
27 HE2 LYS 3 2HE LYS 3 10.247 2.068 7.939
28 HE3 LYS 3 3HE LYS 3 11.148 1.550 9.378
29 HZ1 LYS 3 1HZ LYS 3 11.703 3.824 8.718
30 HZ2 LYS 3 2HZ LYS 3 13.031 2.862 8.605
31 HZ3 LYS 3 3HZ LYS 3 12.224 3.307 7.241
32 H LYS 4 H LYS 4 8.511 -2.620 8.205
33 HA LYS 4 HA LYS 4 6.884 -1.772 5.946
34 HB2 LYS 4 2HB LYS 4 6.832 -4.271 5.782
35 HB3 LYS 4 3HB LYS 4 6.073 -4.354 7.365
36 HG2 LYS 4 2HG LYS 4 4.076 -3.352 6.562
37 HG3 LYS 4 3HG LYS 4 4.843 -2.680 5.143
38 HD2 LYS 4 2HD LYS 4 5.174 -4.999 4.224
39 HD3 LYS 4 3HD LYS 4 4.408 -5.654 5.671
40 HE2 LYS 4 2HE LYS 4 2.765 -5.664 3.947
41 HE3 LYS 4 3HE LYS 4 2.321 -4.398 5.094
42 HZ1 LYS 4 1HZ LYS 4 3.244 -2.768 3.504
43 HZ2 LYS 4 2HZ LYS 4 3.631 -4.014 2.463
44 HZ3 LYS 4 3HZ LYS 4 2.074 -3.662 2.822
45 H ALA 5 H ALA 5 6.572 0.090 6.957
46 HA ALA 5 HA ALA 5 6.031 0.462 9.751
47 HB1 ALA 5 1HB ALA 5 5.908 2.823 9.083
48 HB2 ALA 5 2HB ALA 5 7.251 2.024 8.256
49 HB3 ALA 5 3HB ALA 5 5.743 2.353 7.376
50 H SER 6 H SER 6 4.126 2.290 10.139
51 HA SER 6 HA SER 6 1.618 0.817 9.879
52 HB2 SER 6 2HB SER 6 0.752 2.306 11.498
53 HB3 SER 6 3HB SER 6 2.417 1.971 11.980
54 HG SER 6 HG SER 6 2.323 4.082 12.131
55 H HIS 7 H HIS 7 -0.398 1.854 9.404
56 HA HIS 7 HA HIS 7 -0.803 2.946 6.875
57 HB2 HIS 7 2HB HIS 7 -3.049 3.167 7.512
58 HB3 HIS 7 3HB HIS 7 -2.461 1.830 8.485
59 HD2 HIS 7 HD2 HIS 7 -1.725 2.645 11.170
60 HE1 HIS 7 HE1 HIS 7 -4.421 5.940 11.213
61 HE2 HIS 7 HE2 HIS 7 -2.882 4.501 12.638
62 H LYS 8 H LYS 8 0.344 4.635 9.548
63 HA LYS 8 HA LYS 8 -0.632 7.290 8.575
64 HB2 LYS 8 2HB LYS 8 -1.355 6.337 10.884
65 HB3 LYS 8 3HB LYS 8 0.288 6.672 11.404
66 HG2 LYS 8 2HG LYS 8 -1.163 8.468 12.050
67 HG3 LYS 8 3HG LYS 8 -0.060 9.089 10.819
68 HD2 LYS 8 2HD LYS 8 -1.795 9.126 9.144
69 HD3 LYS 8 3HD LYS 8 -2.858 8.087 10.112
70 HE2 LYS 8 2HE LYS 8 -2.908 9.891 11.888
71 HE3 LYS 8 3HE LYS 8 -1.938 10.916 10.825
72 HZ1 LYS 8 1HZ LYS 8 -4.293 11.457 10.666
73 HZ2 LYS 8 2HZ LYS 8 -3.785 10.865 9.221
74 HZ3 LYS 8 3HZ LYS 8 -4.665 9.914 10.236
75 H ASP 9 H ASP 9 2.235 5.613 9.906
76 HA ASP 9 HA ASP 9 4.038 7.829 9.459
77 HB2 ASP 9 2HB ASP 9 4.460 4.822 9.701
78 HB3 ASP 9 3HB ASP 9 5.784 5.968 9.475
79 H ALA 10 H ALA 10 2.914 5.147 7.374
80 HA ALA 10 HA ALA 10 4.592 6.045 5.149
81 HB1 ALA 10 1HB ALA 10 2.518 3.820 5.346
82 HB2 ALA 10 2HB ALA 10 3.703 4.048 4.041
83 HB3 ALA 10 3HB ALA 10 4.262 3.667 5.676
84 H GLY 11 H GLY 11 1.199 6.457 6.039
85 HA2 GLY 11 2HA GLY 11 -0.418 7.820 5.179
86 HA3 GLY 11 3HA GLY 11 0.890 8.723 4.424
87 H TYR 12 H TYR 12 -1.527 6.186 3.921
88 HA TYR 12 HA TYR 12 -1.108 6.052 1.022
89 HB2 TYR 12 2HB TYR 12 -2.050 4.121 1.474
90 HB3 TYR 12 3HB TYR 12 -2.721 4.640 2.986
91 HD1 TYR 12 HD1 TYR 12 -4.927 6.075 2.924
92 HD2 TYR 12 HD2 TYR 12 -3.477 3.673 -0.351
93 HE1 TYR 12 HE1 TYR 12 -7.217 6.024 1.947
94 HE2 TYR 12 HE2 TYR 12 -5.778 3.617 -1.316
95 HH TYR 12 HH TYR 12 -8.545 5.258 0.245
96 H GLN 13 H GLN 13 -2.411 6.804 -0.602
97 HA GLN 13 HA GLN 13 -4.547 8.683 -0.091
98 HB2 GLN 13 2HB GLN 13 -3.618 10.519 -1.407
99 HB3 GLN 13 3HB GLN 13 -2.656 10.237 0.029
100 HG2 GLN 13 2HG GLN 13 -0.895 9.195 -1.239
101 HG3 GLN 13 3HG GLN 13 -1.878 9.105 -2.693
102 HE21 GLN 13 1HE2 GLN 13 0.088 11.215 -0.658
103 HE22 GLN 13 2HE2 GLN 13 0.135 12.559 -1.815
104 H GLU 14 H GLU 14 -5.605 9.304 -2.222
105 HA GLU 14 HA GLU 14 -6.118 6.821 -3.553
106 HB2 GLU 14 2HB GLU 14 -7.785 8.530 -2.852
107 HB3 GLU 14 3HB GLU 14 -7.177 9.630 -4.090
108 HG2 GLU 14 2HG GLU 14 -7.975 8.179 -5.854
109 HG3 GLU 14 3HG GLU 14 -8.346 6.886 -4.703
110 H SER 15 H SER 15 -3.893 9.297 -4.417
111 HA SER 15 HA SER 15 -3.864 8.822 -7.303
112 HB2 SER 15 2HB SER 15 -3.311 10.983 -6.344
113 HB3 SER 15 3HB SER 15 -1.916 10.294 -5.516
114 HG SER 15 HG SER 15 -1.794 11.364 -7.767
115 HA PRO 16 HA PRO 16 -1.059 5.316 -6.521
116 HB2 PRO 16 2HB PRO 16 -1.749 4.357 -9.242
117 HB3 PRO 16 3HB PRO 16 -1.985 3.552 -7.662
118 HG2 PRO 16 2HG PRO 16 -4.099 4.546 -9.076
119 HG3 PRO 16 3HG PRO 16 -4.027 4.676 -7.283
120 HD2 PRO 16 2HD PRO 16 -3.145 6.745 -9.333
121 HD3 PRO 16 3HD PRO 16 -4.317 6.945 -8.020
122 H ASN 17 H ASN 17 0.858 4.361 -7.470
123 HA ASN 17 HA ASN 17 2.560 6.164 -9.021
124 HB2 ASN 17 2HB ASN 17 3.281 4.697 -7.043
125 HB3 ASN 17 3HB ASN 17 3.071 3.313 -8.085
126 HD21 ASN 17 1HD2 ASN 17 5.143 5.941 -7.186
127 HD22 ASN 17 2HD2 ASN 17 6.445 5.529 -8.292
128 H GLY 18 H GLY 18 3.457 5.693 -11.092
129 HA2 GLY 18 2HA GLY 18 1.887 4.406 -13.065
130 HA3 GLY 18 3HA GLY 18 3.583 4.855 -13.226
131 H ALA 19 H ALA 19 4.247 2.879 -10.950
132 HA ALA 19 HA ALA 19 3.328 0.267 -11.999
133 HB1 ALA 19 1HB ALA 19 6.284 0.900 -11.671
134 HB2 ALA 19 2HB ALA 19 5.586 -0.667 -12.132
135 HB3 ALA 19 3HB ALA 19 5.442 0.721 -13.228
136 H LYS 20 H LYS 20 5.075 2.011 -9.434
137 HA LYS 20 HA LYS 20 5.182 -0.304 -7.678
138 HB2 LYS 20 2HB LYS 20 5.866 2.573 -6.989
139 HB3 LYS 20 3HB LYS 20 6.408 1.105 -6.183
140 HG2 LYS 20 2HG LYS 20 7.682 0.472 -8.253
141 HG3 LYS 20 3HG LYS 20 7.225 2.033 -8.974
142 HD2 LYS 20 2HD LYS 20 8.275 3.227 -7.062
143 HD3 LYS 20 3HD LYS 20 8.715 1.664 -6.349
144 HE2 LYS 20 2HE LYS 20 10.041 1.174 -8.445
145 HE3 LYS 20 3HE LYS 20 9.747 2.843 -8.955
146 HZ1 LYS 20 1HZ LYS 20 11.109 2.014 -6.448
147 HZ2 LYS 20 2HZ LYS 20 11.870 2.613 -7.787
148 HZ3 LYS 20 3HZ LYS 20 10.878 3.572 -6.897
149 H ARG 21 H ARG 21 2.406 0.341 -8.211
150 HA ARG 21 HA ARG 21 1.466 1.676 -5.735
151 HB2 ARG 21 2HB ARG 21 -0.684 1.750 -6.629
152 HB3 ARG 21 3HB ARG 21 0.358 2.014 -8.031
153 HG2 ARG 21 2HG ARG 21 0.088 -0.417 -8.621
154 HG3 ARG 21 3HG ARG 21 -1.016 -0.604 -7.229
155 HD2 ARG 21 2HD ARG 21 -2.722 0.639 -8.214
156 HD3 ARG 21 3HD ARG 21 -1.607 1.591 -9.190
157 HE ARG 21 HE ARG 21 -1.778 0.150 -10.898
158 HH11 ARG 21 1HH1 ARG 21 -2.924 -1.705 -8.130
159 HH12 ARG 21 2HH1 ARG 21 -3.492 -2.999 -9.191
160 HH21 ARG 21 1HH2 ARG 21 -2.682 -1.407 -12.101
161 HH22 ARG 21 2HH2 ARG 21 -3.468 -2.770 -11.345
162 H CYS 22 H CYS 22 -0.370 0.643 -4.497
163 HA CYS 22 HA CYS 22 0.308 -1.574 -3.070
164 HB2 CYS 22 2HB CYS 22 -2.432 -0.540 -3.904
165 HB3 CYS 22 3HB CYS 22 -2.186 -1.757 -2.687
166 H GLY 23 H GLY 23 -0.233 -3.801 -3.012
167 HA2 GLY 23 2HA GLY 23 -0.673 -5.921 -3.958
168 HA3 GLY 23 3HA GLY 23 -1.307 -5.144 -5.391
169 H THR 24 H THR 24 1.132 -3.523 -5.908
170 HA THR 24 HA THR 24 3.298 -5.503 -6.350
171 HB THR 24 HB THR 24 3.602 -4.682 -8.684
172 HG1 THR 24 HG1 THR 24 2.390 -2.793 -8.569
173 HG21 THR 24 1HG2 THR 24 2.420 -6.824 -8.227
174 HG22 THR 24 2HG2 THR 24 0.872 -5.948 -8.284
175 HG23 THR 24 3HG2 THR 24 1.909 -6.023 -9.722
176 H CYS 25 H CYS 25 3.369 -3.588 -4.327
177 HA CYS 25 HA CYS 25 4.475 -1.096 -5.362
178 HB2 CYS 25 2HB CYS 25 4.343 -0.312 -3.080
179 HB3 CYS 25 3HB CYS 25 2.847 -1.082 -3.533
180 H ARG 26 H ARG 26 5.621 -3.131 -2.813
181 HA ARG 26 HA ARG 26 8.164 -3.822 -4.073
182 HB2 ARG 26 2HB ARG 26 8.590 -1.500 -3.178
183 HB3 ARG 26 3HB ARG 26 8.207 -2.077 -1.577
184 HG2 ARG 26 2HG ARG 26 10.497 -2.051 -1.589
185 HG3 ARG 26 3HG ARG 26 10.219 -3.747 -1.959
186 HD2 ARG 26 2HD ARG 26 10.624 -1.606 -4.105
187 HD3 ARG 26 3HD ARG 26 11.987 -2.382 -3.352
188 HE ARG 26 HE ARG 26 10.358 -3.469 -5.445
189 HH11 ARG 26 1HH1 ARG 26 12.398 -4.484 -2.756
190 HH12 ARG 26 2HH1 ARG 26 12.809 -5.978 -3.570
191 HH21 ARG 26 1HH2 ARG 26 10.905 -5.281 -6.348
192 HH22 ARG 26 2HH2 ARG 26 11.898 -6.478 -5.530
193 H GLN 27 H GLN 27 6.290 -3.664 -1.055
194 HA GLN 27 HA GLN 27 6.059 -6.548 -1.043
195 HB2 GLN 27 2HB GLN 27 8.144 -6.391 0.156
196 HB3 GLN 27 3HB GLN 27 7.522 -5.162 1.229
197 HG2 GLN 27 2HG GLN 27 7.736 -7.329 2.312
198 HG3 GLN 27 3HG GLN 27 6.091 -6.746 2.362
199 HE21 GLN 27 1HE2 GLN 27 5.489 -8.947 2.851
200 HE22 GLN 27 2HE2 GLN 27 5.398 -10.150 1.545
201 H PHE 28 H PHE 28 3.998 -5.422 -1.678
202 HA PHE 28 HA PHE 28 2.071 -4.327 -0.052
203 HB2 PHE 28 2HB PHE 28 1.464 -4.735 -2.215
204 HB3 PHE 28 3HB PHE 28 2.226 -6.297 -2.279
205 HD1 PHE 28 HD1 PHE 28 -0.824 -4.701 -0.698
206 HD2 PHE 28 HD2 PHE 28 0.988 -8.191 -2.460
207 HE1 PHE 28 HE1 PHE 28 -3.042 -5.787 -0.867
208 HE2 PHE 28 HE2 PHE 28 -1.237 -9.270 -2.612
209 HZ PHE 28 HZ PHE 28 -3.261 -8.060 -1.833
210 H ARG 29 H ARG 29 3.015 -7.771 -0.066
211 HA ARG 29 HA ARG 29 2.863 -9.435 1.480
212 HB2 ARG 29 2HB ARG 29 3.200 -7.648 3.189
213 HB3 ARG 29 3HB ARG 29 1.459 -7.637 3.460
214 HG2 ARG 29 2HG ARG 29 3.203 -10.110 3.751
215 HG3 ARG 29 3HG ARG 29 2.883 -8.965 5.054
216 HD2 ARG 29 2HD ARG 29 0.436 -9.397 4.835
217 HD3 ARG 29 3HD ARG 29 0.796 -10.626 3.620
218 HE ARG 29 HE ARG 29 1.849 -10.752 6.428
219 HH11 ARG 29 1HH1 ARG 29 0.188 -12.439 3.803
220 HH12 ARG 29 2HH1 ARG 29 0.315 -13.971 4.641
221 HH21 ARG 29 1HH2 ARG 29 2.183 -12.783 7.239
222 HH22 ARG 29 2HH2 ARG 29 1.684 -14.154 6.289
223 HA PRO 30 HA PRO 30 -1.272 -10.297 -0.359
224 HB2 PRO 30 2HB PRO 30 0.092 -12.903 -0.923
225 HB3 PRO 30 3HB PRO 30 -0.845 -11.867 -2.037
226 HG2 PRO 30 2HG PRO 30 1.865 -12.036 -2.185
227 HG3 PRO 30 3HG PRO 30 1.011 -10.484 -2.453
228 HD2 PRO 30 2HD PRO 30 2.377 -11.469 0.058
229 HD3 PRO 30 3HD PRO 30 2.479 -9.873 -0.734
230 HA PRO 31 HA PRO 31 -2.604 -12.740 -1.011
231 HB2 PRO 31 2HB PRO 31 -5.155 -13.119 0.480
232 HB3 PRO 31 3HB PRO 31 -4.378 -14.161 -0.748
233 HG2 PRO 31 2HG PRO 31 -4.357 -14.858 1.858
234 HG3 PRO 31 3HG PRO 31 -2.900 -15.098 0.839
235 HD2 PRO 31 2HD PRO 31 -3.503 -12.783 2.717
236 HD3 PRO 31 3HD PRO 31 -2.035 -13.787 2.607
237 H SER 32 H SER 32 -4.368 -10.799 1.427
238 HA SER 32 HA SER 32 -5.144 -8.772 -0.624
239 HB2 SER 32 2HB SER 32 -7.038 -10.009 1.416
240 HB3 SER 32 3HB SER 32 -7.448 -8.825 0.166
241 HG SER 32 HG SER 32 -8.052 -10.957 -0.344
242 H SER 33 H SER 33 -3.068 -8.462 1.225
243 HA SER 33 HA SER 33 -4.184 -6.922 3.524
244 HB2 SER 33 2HB SER 33 -2.224 -9.249 3.504
245 HB3 SER 33 3HB SER 33 -2.609 -8.276 4.927
246 HG SER 33 HG SER 33 -3.894 -10.148 4.848
247 H CYS 34 H CYS 34 -2.511 -5.805 4.785
248 HA CYS 34 HA CYS 34 0.135 -5.426 3.764
249 HB2 CYS 34 2HB CYS 34 -0.972 -3.966 2.173
250 HB3 CYS 34 3HB CYS 34 -1.803 -3.090 3.447
251 H ILE 35 H ILE 35 0.515 -2.950 5.173
252 HA ILE 35 HA ILE 35 -0.564 -3.153 7.851
253 HB ILE 35 HB ILE 35 2.454 -3.021 7.855
254 HG12 ILE 35 2HG1 ILE 35 0.924 -5.582 8.470
255 HG13 ILE 35 3HG1 ILE 35 1.852 -5.321 6.992
256 HG21 ILE 35 1HG2 ILE 35 0.424 -3.653 10.024
257 HG22 ILE 35 2HG2 ILE 35 2.172 -3.434 10.253
258 HG23 ILE 35 3HG2 ILE 35 1.191 -2.072 9.754
259 HD11 ILE 35 1HD1 ILE 35 3.198 -6.612 8.477
260 HD12 ILE 35 2HD1 ILE 35 3.923 -4.999 8.341
261 HD13 ILE 35 3HD1 ILE 35 3.008 -5.448 9.793
262 H THR 36 H THR 36 1.842 -1.705 5.697
263 HA THR 36 HA THR 36 1.681 1.007 6.522
264 HB THR 36 HB THR 36 2.424 1.172 3.936
265 HG1 THR 36 HG1 THR 36 2.684 -0.702 3.131
266 HG21 THR 36 1HG2 THR 36 3.829 1.526 6.072
267 HG22 THR 36 2HG2 THR 36 4.288 -0.176 5.904
268 HG23 THR 36 3HG2 THR 36 4.686 0.979 4.615
269 H VAL 37 H VAL 37 -0.594 -0.933 4.695
270 HA VAL 37 HA VAL 37 -2.166 1.000 6.162
271 HB VAL 37 HB VAL 37 -3.348 -0.118 3.601
272 HG11 VAL 37 1HG1 VAL 37 -4.507 1.695 5.778
273 HG12 VAL 37 2HG1 VAL 37 -5.287 1.382 4.219
274 HG13 VAL 37 3HG1 VAL 37 -5.061 0.057 5.350
275 HG21 VAL 37 1HG2 VAL 37 -2.670 2.753 4.342
276 HG22 VAL 37 2HG2 VAL 37 -1.890 1.790 3.074
277 HG23 VAL 37 3HG2 VAL 37 -3.585 2.244 2.897
278 H GLU 38 H GLU 38 -3.616 -0.066 7.555
279 HA GLU 38 HA GLU 38 -3.089 -2.850 8.091
280 HB2 GLU 38 2HB GLU 38 -3.554 -1.125 9.815
281 HB3 GLU 38 3HB GLU 38 -5.148 -0.915 9.114
282 HG2 GLU 38 2HG GLU 38 -5.533 -2.207 11.034
283 HG3 GLU 38 3HG GLU 38 -5.586 -3.404 9.757
284 H SER 39 H SER 39 -4.258 -4.637 7.684
285 HA SER 39 HA SER 39 -5.689 -4.702 5.262
286 HB2 SER 39 2HB SER 39 -5.413 -6.942 7.297
287 HB3 SER 39 3HB SER 39 -5.610 -7.118 5.553
288 HG SER 39 HG SER 39 -3.384 -6.257 7.036
289 HA PRO 40 HA PRO 40 -7.003 -6.491 4.164
290 HB2 PRO 40 2HB PRO 40 -9.782 -6.123 3.188
291 HB3 PRO 40 3HB PRO 40 -8.738 -7.575 3.159
292 HG2 PRO 40 2HG PRO 40 -10.833 -7.379 4.896
293 HG3 PRO 40 3HG PRO 40 -9.280 -8.115 5.405
294 HD2 PRO 40 2HD PRO 40 -10.225 -5.254 5.809
295 HD3 PRO 40 3HD PRO 40 -9.593 -6.399 7.029
296 H ILE 41 H ILE 41 -6.644 -5.666 2.046
297 HA ILE 41 HA ILE 41 -7.223 -2.769 1.681
298 HB ILE 41 HB ILE 41 -5.011 -3.343 2.880
299 HG12 ILE 41 2HG1 ILE 41 -3.708 -1.620 1.851
300 HG13 ILE 41 3HG1 ILE 41 -4.674 -1.640 0.386
301 HG21 ILE 41 1HG2 ILE 41 -4.090 -4.016 0.060
302 HG22 ILE 41 2HG2 ILE 41 -3.124 -4.008 1.531
303 HG23 ILE 41 3HG2 ILE 41 -4.392 -5.223 1.331
304 HD11 ILE 41 1HD1 ILE 41 -5.803 -0.956 3.137
305 HD12 ILE 41 2HD1 ILE 41 -5.196 0.251 1.985
306 HD13 ILE 41 3HD1 ILE 41 -6.601 -0.723 1.561
307 H SER 42 H SER 42 -6.299 -1.984 -0.537
308 HA SER 42 HA SER 42 -7.332 -3.846 -2.638
309 HB2 SER 42 2HB SER 42 -8.303 -1.485 -2.169
310 HB3 SER 42 3HB SER 42 -6.838 -0.883 -2.920
311 HG SER 42 HG SER 42 -8.428 -1.121 -4.476
312 H GLU 43 H GLU 43 -6.299 -3.554 -4.801
313 HA GLU 43 HA GLU 43 -3.375 -3.073 -4.710
314 HB2 GLU 43 2HB GLU 43 -3.272 -3.849 -6.946
315 HB3 GLU 43 3HB GLU 43 -4.189 -5.004 -5.988
316 HG2 GLU 43 2HG GLU 43 -6.304 -4.131 -6.889
317 HG3 GLU 43 3HG GLU 43 -5.447 -2.889 -7.805
318 H ASN 44 H ASN 44 -6.150 -1.161 -5.002
319 HA ASN 44 HA ASN 44 -4.650 0.964 -6.446
320 HB2 ASN 44 2HB ASN 44 -6.596 2.172 -6.664
321 HB3 ASN 44 3HB ASN 44 -7.099 0.518 -6.950
322 HD21 ASN 44 1HD2 ASN 44 -7.177 3.228 -4.653
323 HD22 ASN 44 2HD2 ASN 44 -8.517 2.593 -3.696
324 H GLY 45 H GLY 45 -3.823 2.773 -5.401
325 HA2 GLY 45 2HA GLY 45 -4.303 4.142 -3.233
326 HA3 GLY 45 3HA GLY 45 -3.654 2.700 -2.437
327 H TRP 46 H TRP 46 -1.505 2.172 -2.683
328 HA TRP 46 HA TRP 46 0.720 2.510 -2.704
329 HB2 TRP 46 2HB TRP 46 0.567 3.448 -5.007
330 HB3 TRP 46 3HB TRP 46 0.333 5.019 -4.290
331 HD1 TRP 46 HD1 TRP 46 3.062 2.557 -3.143
332 HE1 TRP 46 HE1 TRP 46 5.328 3.651 -3.471
333 HE3 TRP 46 HE3 TRP 46 1.585 6.783 -5.651
334 HZ2 TRP 46 HZ2 TRP 46 6.395 6.107 -4.567
335 HZ3 TRP 46 HZ3 TRP 46 3.266 8.480 -6.333
336 HH2 TRP 46 HH2 TRP 46 5.662 8.174 -5.764
337 H CYS 47 H CYS 47 1.177 2.753 -0.601
338 HA CYS 47 HA CYS 47 0.772 5.352 0.755
339 HB2 CYS 47 2HB CYS 47 1.654 4.309 2.705
340 HB3 CYS 47 3HB CYS 47 0.612 3.077 1.974
341 H ARG 48 H ARG 48 2.565 6.624 1.483
342 HA ARG 48 HA ARG 48 4.697 6.663 -0.590
343 HB2 ARG 48 2HB ARG 48 3.968 8.823 1.407
344 HB3 ARG 48 3HB ARG 48 5.066 8.955 0.030
345 HG2 ARG 48 2HG ARG 48 2.042 8.683 -0.025
346 HG3 ARG 48 3HG ARG 48 3.046 10.008 -0.609
347 HD2 ARG 48 2HD ARG 48 4.008 8.239 -2.280
348 HD3 ARG 48 3HD ARG 48 2.595 7.271 -1.860
349 HE ARG 48 HE ARG 48 2.642 9.967 -3.161
350 HH11 ARG 48 1HH1 ARG 48 0.631 7.039 -2.608
351 HH12 ARG 48 2HH1 ARG 48 -0.356 7.473 -3.974
352 HH21 ARG 48 1HH2 ARG 48 1.208 10.361 -4.809
353 HH22 ARG 48 2HH2 ARG 48 -0.040 9.161 -5.121
354 H LEU 49 H LEU 49 4.588 4.823 1.877
355 HA LEU 49 HA LEU 49 7.467 4.835 1.928
356 HB2 LEU 49 2HB LEU 49 6.642 6.192 4.041
357 HB3 LEU 49 3HB LEU 49 6.225 4.598 4.670
358 HG LEU 49 HG LEU 49 8.664 3.921 4.264
359 HD11 LEU 49 1HD1 LEU 49 8.962 6.943 3.920
360 HD12 LEU 49 2HD1 LEU 49 10.294 5.798 4.169
361 HD13 LEU 49 3HD1 LEU 49 9.329 5.711 2.694
362 HD21 LEU 49 1HD2 LEU 49 8.092 6.213 6.193
363 HD22 LEU 49 2HD2 LEU 49 7.781 4.487 6.493
364 HD23 LEU 49 3HD2 LEU 49 9.444 5.063 6.306
365 H TYR 50 H TYR 50 5.893 3.348 0.553
366 HA TYR 50 HA TYR 50 5.041 0.889 1.465
367 HB2 TYR 50 2HB TYR 50 5.150 0.217 -0.869
368 HB3 TYR 50 3HB TYR 50 4.485 1.828 -0.685
369 HD1 TYR 50 HD1 TYR 50 5.951 3.878 -1.230
370 HD2 TYR 50 HD2 TYR 50 7.043 -0.158 -2.234
371 HE1 TYR 50 HE1 TYR 50 7.635 4.742 -2.839
372 HE2 TYR 50 HE2 TYR 50 8.740 0.715 -3.863
373 HH TYR 50 HH TYR 50 9.139 4.206 -4.460
374 H ALA 51 H ALA 51 5.849 -1.197 1.329
375 HA ALA 51 HA ALA 51 7.996 -1.149 3.132
376 HB1 ALA 51 1HB ALA 51 6.358 -3.398 1.949
377 HB2 ALA 51 2HB ALA 51 7.334 -3.541 3.420
378 HB3 ALA 51 3HB ALA 51 5.955 -2.413 3.359
379 H GLY 52 H GLY 52 10.120 -1.396 2.938
380 HA2 GLY 52 2HA GLY 52 11.415 -2.434 0.544
381 HA3 GLY 52 3HA GLY 52 12.206 -1.933 2.034
382 H LYS 53 H LYS 53 12.426 -4.378 0.191
383 HA LYS 53 HA LYS 53 12.856 -6.195 2.436
384 HB2 LYS 53 2HB LYS 53 11.984 -8.184 1.396
385 HB3 LYS 53 3HB LYS 53 10.731 -7.014 1.775
386 HG2 LYS 53 2HG LYS 53 10.442 -6.443 -0.564
387 HG3 LYS 53 3HG LYS 53 11.859 -7.400 -1.036
388 HD2 LYS 53 2HD LYS 53 10.796 -9.474 -0.331
389 HD3 LYS 53 3HD LYS 53 9.435 -8.594 0.383
390 HE2 LYS 53 2HE LYS 53 8.771 -7.787 -1.855
391 HE3 LYS 53 3HE LYS 53 10.112 -8.683 -2.589
392 HZ1 LYS 53 1HZ LYS 53 7.872 -9.867 -1.041
393 HZ2 LYS 53 2HZ LYS 53 7.970 -9.916 -2.655
394 HZ3 LYS 53 3HZ LYS 53 9.088 -10.737 -1.775
395 H ALA 54 H ALA 54 14.384 -8.029 1.892
396 HA ALA 54 HA ALA 54 15.762 -7.890 -0.704
397 HB1 ALA 54 1HB ALA 54 17.263 -7.421 1.892
398 HB2 ALA 54 2HB ALA 54 18.019 -7.791 0.328
399 HB3 ALA 54 3HB ALA 54 17.084 -6.301 0.536
Start of MODEL 14
1 H1 VAL 1 1H VAL 1 11.895 -4.924 13.745
2 H2 VAL 1 2H VAL 1 13.293 -5.369 14.474
3 H3 VAL 1 3H VAL 1 12.497 -4.023 14.982
4 HA VAL 1 HA VAL 1 11.526 -6.791 15.159
5 HB VAL 1 HB VAL 1 13.336 -6.444 16.677
6 HG11 VAL 1 1HG1 VAL 1 11.739 -4.182 17.955
7 HG12 VAL 1 2HG1 VAL 1 13.219 -4.913 18.595
8 HG13 VAL 1 3HG1 VAL 1 13.279 -4.020 17.082
9 HG21 VAL 1 1HG2 VAL 1 12.321 -7.200 18.706
10 HG22 VAL 1 2HG2 VAL 1 10.757 -6.494 18.276
11 HG23 VAL 1 3HG2 VAL 1 11.404 -7.872 17.350
12 H THR 2 H THR 2 10.683 -3.347 15.877
13 HA THR 2 HA THR 2 8.030 -4.021 16.828
14 HB THR 2 HB THR 2 9.019 -1.340 15.803
15 HG1 THR 2 HG1 THR 2 9.431 -2.666 18.278
16 HG21 THR 2 1HG2 THR 2 7.035 -2.041 18.012
17 HG22 THR 2 2HG2 THR 2 7.525 -0.411 17.506
18 HG23 THR 2 3HG2 THR 2 6.599 -1.428 16.396
19 H LYS 3 H LYS 3 6.066 -3.990 15.751
20 HA LYS 3 HA LYS 3 6.132 -4.333 12.820
21 HB2 LYS 3 2HB LYS 3 4.940 -5.885 14.313
22 HB3 LYS 3 3HB LYS 3 3.934 -4.564 14.898
23 HG2 LYS 3 2HG LYS 3 3.015 -4.305 12.539
24 HG3 LYS 3 3HG LYS 3 3.990 -5.704 12.071
25 HD2 LYS 3 2HD LYS 3 1.730 -6.438 12.484
26 HD3 LYS 3 3HD LYS 3 2.751 -7.074 13.786
27 HE2 LYS 3 2HE LYS 3 2.032 -5.134 15.233
28 HE3 LYS 3 3HE LYS 3 1.004 -4.568 13.909
29 HZ1 LYS 3 1HZ LYS 3 0.682 -7.054 15.483
30 HZ2 LYS 3 2HZ LYS 3 -0.328 -5.768 15.394
31 HZ3 LYS 3 3HZ LYS 3 -0.146 -6.754 14.079
32 H LYS 4 H LYS 4 5.190 -3.065 11.265
33 HA LYS 4 HA LYS 4 4.047 -0.408 12.062
34 HB2 LYS 4 2HB LYS 4 6.063 -0.002 10.913
35 HB3 LYS 4 3HB LYS 4 5.731 -1.214 9.675
36 HG2 LYS 4 2HG LYS 4 4.190 0.126 8.558
37 HG3 LYS 4 3HG LYS 4 3.852 1.141 9.940
38 HD2 LYS 4 2HD LYS 4 5.058 2.326 8.170
39 HD3 LYS 4 3HD LYS 4 5.926 2.331 9.699
40 HE2 LYS 4 2HE LYS 4 7.488 0.654 8.925
41 HE3 LYS 4 3HE LYS 4 6.576 0.405 7.435
42 HZ1 LYS 4 1HZ LYS 4 7.788 3.000 8.187
43 HZ2 LYS 4 2HZ LYS 4 8.543 1.895 7.232
44 HZ3 LYS 4 3HZ LYS 4 7.155 2.608 6.710
45 H ALA 5 H ALA 5 2.079 0.115 11.465
46 HA ALA 5 HA ALA 5 0.667 -1.066 9.221
47 HB1 ALA 5 1HB ALA 5 -0.356 -1.684 12.000
48 HB2 ALA 5 2HB ALA 5 -1.186 -2.032 10.467
49 HB3 ALA 5 3HB ALA 5 0.338 -2.850 10.854
50 H SER 6 H SER 6 1.048 1.318 8.925
51 HA SER 6 HA SER 6 -1.333 2.883 9.701
52 HB2 SER 6 2HB SER 6 0.146 3.362 11.531
53 HB3 SER 6 3HB SER 6 1.496 3.658 10.429
54 HG SER 6 HG SER 6 0.635 5.569 11.089
55 H HIS 7 H HIS 7 -2.045 3.286 7.708
56 HA HIS 7 HA HIS 7 -0.547 4.039 5.372
57 HB2 HIS 7 2HB HIS 7 -2.821 5.016 4.706
58 HB3 HIS 7 3HB HIS 7 -2.711 3.285 4.944
59 HD2 HIS 7 HD2 HIS 7 -5.312 3.025 5.379
60 HE1 HIS 7 HE1 HIS 7 -5.472 5.086 9.113
61 HE2 HIS 7 HE2 HIS 7 -6.746 3.544 7.531
62 H LYS 8 H LYS 8 -1.659 5.868 8.070
63 HA LYS 8 HA LYS 8 -1.142 8.550 7.107
64 HB2 LYS 8 2HB LYS 8 -2.533 8.111 9.029
65 HB3 LYS 8 3HB LYS 8 -1.259 7.275 9.874
66 HG2 LYS 8 2HG LYS 8 -1.239 10.259 9.250
67 HG3 LYS 8 3HG LYS 8 -1.770 9.515 10.760
68 HD2 LYS 8 2HD LYS 8 0.683 8.385 10.596
69 HD3 LYS 8 3HD LYS 8 1.001 9.891 9.710
70 HE2 LYS 8 2HE LYS 8 0.097 11.167 11.673
71 HE3 LYS 8 3HE LYS 8 -0.094 9.627 12.538
72 HZ1 LYS 8 1HZ LYS 8 2.012 10.634 13.104
73 HZ2 LYS 8 2HZ LYS 8 2.339 9.282 12.199
74 HZ3 LYS 8 3HZ LYS 8 2.442 10.775 11.527
75 H ASP 9 H ASP 9 0.906 6.248 8.962
76 HA ASP 9 HA ASP 9 3.218 8.042 8.835
77 HB2 ASP 9 2HB ASP 9 2.964 5.159 9.764
78 HB3 ASP 9 3HB ASP 9 4.411 6.141 9.908
79 H ALA 10 H ALA 10 2.091 5.297 6.895
80 HA ALA 10 HA ALA 10 4.436 5.151 5.212
81 HB1 ALA 10 1HB ALA 10 1.590 4.301 4.582
82 HB2 ALA 10 2HB ALA 10 3.107 3.642 3.938
83 HB3 ALA 10 3HB ALA 10 2.682 3.368 5.628
84 H GLY 11 H GLY 11 1.803 7.386 5.368
85 HA2 GLY 11 2HA GLY 11 1.280 9.268 4.211
86 HA3 GLY 11 3HA GLY 11 2.803 9.128 3.315
87 H TYR 12 H TYR 12 -0.221 7.139 3.493
88 HA TYR 12 HA TYR 12 0.147 6.417 0.761
89 HB2 TYR 12 2HB TYR 12 -1.193 4.745 1.107
90 HB3 TYR 12 3HB TYR 12 -0.841 5.086 2.774
91 HD1 TYR 12 HD1 TYR 12 -2.976 7.581 2.808
92 HD2 TYR 12 HD2 TYR 12 -3.058 3.415 1.674
93 HE1 TYR 12 HE1 TYR 12 -5.426 7.527 3.175
94 HE2 TYR 12 HE2 TYR 12 -5.493 3.335 2.195
95 HH TYR 12 HH TYR 12 -7.339 6.271 2.988
96 H GLN 13 H GLN 13 -1.547 6.259 -0.849
97 HA GLN 13 HA GLN 13 -2.936 8.861 -1.320
98 HB2 GLN 13 2HB GLN 13 -1.658 6.957 -3.305
99 HB3 GLN 13 3HB GLN 13 -2.519 8.448 -3.703
100 HG2 GLN 13 2HG GLN 13 -0.749 9.626 -2.192
101 HG3 GLN 13 3HG GLN 13 0.170 8.132 -2.347
102 HE21 GLN 13 1HE2 GLN 13 -0.778 7.712 -5.256
103 HE22 GLN 13 2HE2 GLN 13 0.142 8.927 -6.132
104 H GLU 14 H GLU 14 -4.691 8.652 -3.001
105 HA GLU 14 HA GLU 14 -6.397 6.228 -2.550
106 HB2 GLU 14 2HB GLU 14 -7.048 9.059 -3.434
107 HB3 GLU 14 3HB GLU 14 -8.230 7.761 -3.436
108 HG2 GLU 14 2HG GLU 14 -6.755 8.386 -0.858
109 HG3 GLU 14 3HG GLU 14 -8.038 9.443 -1.402
110 H SER 15 H SER 15 -4.050 6.869 -4.513
111 HA SER 15 HA SER 15 -5.032 5.288 -6.700
112 HB2 SER 15 2HB SER 15 -4.408 8.238 -7.122
113 HB3 SER 15 3HB SER 15 -4.310 7.062 -8.448
114 HG SER 15 HG SER 15 -6.574 7.153 -6.787
115 HA PRO 16 HA PRO 16 -0.765 4.200 -6.904
116 HB2 PRO 16 2HB PRO 16 -0.903 4.327 -9.891
117 HB3 PRO 16 3HB PRO 16 -0.358 2.994 -8.869
118 HG2 PRO 16 2HG PRO 16 -2.789 2.879 -10.038
119 HG3 PRO 16 3HG PRO 16 -2.628 2.392 -8.316
120 HD2 PRO 16 2HD PRO 16 -3.525 5.068 -9.422
121 HD3 PRO 16 3HD PRO 16 -4.297 4.049 -8.172
122 H ASN 17 H ASN 17 1.387 4.756 -7.727
123 HA ASN 17 HA ASN 17 1.732 7.551 -8.737
124 HB2 ASN 17 2HB ASN 17 2.768 7.138 -6.533
125 HB3 ASN 17 3HB ASN 17 3.659 5.769 -7.203
126 HD21 ASN 17 1HD2 ASN 17 5.551 6.925 -6.434
127 HD22 ASN 17 2HD2 ASN 17 6.253 8.167 -7.477
128 H GLY 18 H GLY 18 0.990 6.631 -10.776
129 HA2 GLY 18 2HA GLY 18 1.255 5.726 -12.872
130 HA3 GLY 18 3HA GLY 18 2.979 6.016 -12.651
131 H ALA 19 H ALA 19 4.218 4.249 -12.822
132 HA ALA 19 HA ALA 19 3.154 1.598 -13.074
133 HB1 ALA 19 1HB ALA 19 5.066 2.493 -14.357
134 HB2 ALA 19 2HB ALA 19 6.030 2.581 -12.866
135 HB3 ALA 19 3HB ALA 19 5.497 1.006 -13.497
136 H LYS 20 H LYS 20 3.249 3.062 -10.207
137 HA LYS 20 HA LYS 20 3.889 0.553 -8.693
138 HB2 LYS 20 2HB LYS 20 4.701 3.385 -7.934
139 HB3 LYS 20 3HB LYS 20 4.792 1.975 -6.865
140 HG2 LYS 20 2HG LYS 20 6.396 0.873 -8.306
141 HG3 LYS 20 3HG LYS 20 6.245 2.137 -9.524
142 HD2 LYS 20 2HD LYS 20 7.126 3.815 -7.976
143 HD3 LYS 20 3HD LYS 20 7.310 2.579 -6.721
144 HE2 LYS 20 2HE LYS 20 8.895 1.329 -8.122
145 HE3 LYS 20 3HE LYS 20 8.642 2.459 -9.464
146 HZ1 LYS 20 1HZ LYS 20 10.654 2.964 -8.220
147 HZ2 LYS 20 2HZ LYS 20 9.589 4.212 -8.139
148 HZ3 LYS 20 3HZ LYS 20 9.788 3.212 -6.836
149 H ARG 21 H ARG 21 2.218 -0.132 -7.674
150 HA ARG 21 HA ARG 21 0.505 1.738 -6.151
151 HB2 ARG 21 2HB ARG 21 -1.519 0.736 -6.727
152 HB3 ARG 21 3HB ARG 21 -0.678 0.941 -8.261
153 HG2 ARG 21 2HG ARG 21 0.028 -1.464 -8.132
154 HG3 ARG 21 3HG ARG 21 -1.017 -1.639 -6.704
155 HD2 ARG 21 2HD ARG 21 -2.919 -0.796 -8.098
156 HD3 ARG 21 3HD ARG 21 -1.866 -0.872 -9.524
157 HE ARG 21 HE ARG 21 -1.550 -3.370 -8.710
158 HH11 ARG 21 1HH1 ARG 21 -4.559 -1.621 -8.961
159 HH12 ARG 21 2HH1 ARG 21 -5.529 -3.065 -8.815
160 HH21 ARG 21 1HH2 ARG 21 -2.824 -5.169 -8.476
161 HH22 ARG 21 2HH2 ARG 21 -4.574 -4.987 -8.377
162 H CYS 22 H CYS 22 -0.961 -0.065 -4.669
163 HA CYS 22 HA CYS 22 0.910 -1.642 -3.112
164 HB2 CYS 22 2HB CYS 22 -2.123 -1.484 -3.143
165 HB3 CYS 22 3HB CYS 22 -1.117 -2.295 -1.929
166 H GLY 23 H GLY 23 -1.144 -4.009 -3.199
167 HA2 GLY 23 2HA GLY 23 -1.633 -5.939 -4.349
168 HA3 GLY 23 3HA GLY 23 -1.288 -5.065 -5.831
169 H THR 24 H THR 24 1.467 -4.621 -5.019
170 HA THR 24 HA THR 24 2.919 -7.044 -4.394
171 HB THR 24 HB THR 24 2.579 -7.498 -6.763
172 HG1 THR 24 HG1 THR 24 4.477 -8.183 -6.098
173 HG21 THR 24 1HG2 THR 24 3.553 -6.119 -8.530
174 HG22 THR 24 2HG2 THR 24 2.268 -5.240 -7.696
175 HG23 THR 24 3HG2 THR 24 3.974 -4.853 -7.367
176 H CYS 25 H CYS 25 2.775 -3.673 -5.332
177 HA CYS 25 HA CYS 25 4.077 -1.878 -5.062
178 HB2 CYS 25 2HB CYS 25 3.635 -1.080 -3.062
179 HB3 CYS 25 3HB CYS 25 2.760 -2.556 -2.861
180 H ARG 26 H ARG 26 6.068 -1.892 -2.692
181 HA ARG 26 HA ARG 26 8.435 -2.941 -4.187
182 HB2 ARG 26 2HB ARG 26 8.643 -0.655 -3.222
183 HB3 ARG 26 3HB ARG 26 8.253 -1.288 -1.624
184 HG2 ARG 26 2HG ARG 26 10.671 -0.880 -1.906
185 HG3 ARG 26 3HG ARG 26 10.341 -2.573 -1.577
186 HD2 ARG 26 2HD ARG 26 10.495 -2.975 -4.110
187 HD3 ARG 26 3HD ARG 26 10.977 -1.287 -4.269
188 HE ARG 26 HE ARG 26 13.087 -1.819 -3.381
189 HH11 ARG 26 1HH1 ARG 26 11.017 -4.638 -2.820
190 HH12 ARG 26 2HH1 ARG 26 12.408 -5.667 -2.605
191 HH21 ARG 26 1HH2 ARG 26 14.705 -3.143 -3.052
192 HH22 ARG 26 2HH2 ARG 26 14.445 -4.875 -2.840
193 H GLN 27 H GLN 27 6.163 -3.706 -1.752
194 HA GLN 27 HA GLN 27 7.515 -6.256 -1.104
195 HB2 GLN 27 2HB GLN 27 6.793 -4.046 0.863
196 HB3 GLN 27 3HB GLN 27 6.809 -5.723 1.357
197 HG2 GLN 27 2HG GLN 27 9.188 -4.161 0.318
198 HG3 GLN 27 3HG GLN 27 8.897 -4.718 1.964
199 HE21 GLN 27 1HE2 GLN 27 8.062 -7.428 1.533
200 HE22 GLN 27 2HE2 GLN 27 9.412 -8.255 0.786
201 H PHE 28 H PHE 28 4.566 -4.315 -0.296
202 HA PHE 28 HA PHE 28 2.453 -4.926 0.258
203 HB2 PHE 28 2HB PHE 28 2.465 -5.036 -2.143
204 HB3 PHE 28 3HB PHE 28 2.963 -6.715 -2.120
205 HD1 PHE 28 HD1 PHE 28 0.149 -4.543 -0.847
206 HD2 PHE 28 HD2 PHE 28 1.341 -8.345 -2.496
207 HE1 PHE 28 HE1 PHE 28 -2.230 -5.194 -1.065
208 HE2 PHE 28 HE2 PHE 28 -1.046 -8.978 -2.737
209 HZ PHE 28 HZ PHE 28 -2.831 -7.404 -2.031
210 H ARG 29 H ARG 29 0.840 -7.031 0.501
211 HA ARG 29 HA ARG 29 2.187 -9.366 1.682
212 HB2 ARG 29 2HB ARG 29 2.081 -7.868 3.583
213 HB3 ARG 29 3HB ARG 29 0.361 -7.584 3.317
214 HG2 ARG 29 2HG ARG 29 -0.157 -9.912 3.849
215 HG3 ARG 29 3HG ARG 29 1.560 -10.297 4.033
216 HD2 ARG 29 2HD ARG 29 0.205 -8.106 5.651
217 HD3 ARG 29 3HD ARG 29 0.156 -9.794 6.168
218 HE ARG 29 HE ARG 29 2.824 -9.468 5.797
219 HH11 ARG 29 1HH1 ARG 29 0.614 -7.431 7.664
220 HH12 ARG 29 2HH1 ARG 29 1.932 -6.848 8.659
221 HH21 ARG 29 1HH2 ARG 29 4.289 -8.880 7.133
222 HH22 ARG 29 2HH2 ARG 29 3.971 -7.776 8.473
223 HA PRO 30 HA PRO 30 -1.418 -10.314 -0.876
224 HB2 PRO 30 2HB PRO 30 -0.870 -12.933 -1.514
225 HB3 PRO 30 3HB PRO 30 -0.080 -11.525 -2.284
226 HG2 PRO 30 2HG PRO 30 0.935 -13.232 0.006
227 HG3 PRO 30 3HG PRO 30 1.822 -12.712 -1.463
228 HD2 PRO 30 2HD PRO 30 2.071 -11.401 0.905
229 HD3 PRO 30 3HD PRO 30 2.064 -10.505 -0.645
230 HA PRO 31 HA PRO 31 -2.957 -11.877 -1.961
231 HB2 PRO 31 2HB PRO 31 -5.833 -12.053 -1.195
232 HB3 PRO 31 3HB PRO 31 -4.931 -12.941 -2.457
233 HG2 PRO 31 2HG PRO 31 -5.676 -14.170 -0.148
234 HG3 PRO 31 3HG PRO 31 -4.061 -14.479 -0.868
235 HD2 PRO 31 2HD PRO 31 -4.779 -12.541 1.359
236 HD3 PRO 31 3HD PRO 31 -3.482 -13.765 1.323
237 H SER 32 H SER 32 -4.660 -10.109 0.614
238 HA SER 32 HA SER 32 -4.853 -7.625 -1.019
239 HB2 SER 32 2HB SER 32 -7.156 -8.875 0.523
240 HB3 SER 32 3HB SER 32 -7.189 -7.332 -0.334
241 HG SER 32 HG SER 32 -6.933 -8.367 -2.256
242 H SER 33 H SER 33 -3.009 -8.209 1.136
243 HA SER 33 HA SER 33 -3.960 -6.400 3.326
244 HB2 SER 33 2HB SER 33 -2.163 -8.841 3.492
245 HB3 SER 33 3HB SER 33 -2.459 -7.711 4.811
246 HG SER 33 HG SER 33 -4.506 -9.192 3.465
247 H CYS 34 H CYS 34 -1.885 -5.530 4.557
248 HA CYS 34 HA CYS 34 0.347 -5.032 2.636
249 HB2 CYS 34 2HB CYS 34 -0.967 -3.053 2.425
250 HB3 CYS 34 3HB CYS 34 -1.194 -2.936 4.189
251 H ILE 35 H ILE 35 2.318 -4.612 3.534
252 HA ILE 35 HA ILE 35 2.842 -5.810 6.171
253 HB ILE 35 HB ILE 35 4.140 -6.515 4.246
254 HG12 ILE 35 2HG1 ILE 35 6.031 -4.973 6.043
255 HG13 ILE 35 3HG1 ILE 35 5.041 -6.285 6.632
256 HG21 ILE 35 1HG2 ILE 35 5.128 -3.638 4.061
257 HG22 ILE 35 2HG2 ILE 35 5.829 -5.007 3.206
258 HG23 ILE 35 3HG2 ILE 35 4.176 -4.511 2.841
259 HD11 ILE 35 1HD1 ILE 35 7.150 -6.454 4.440
260 HD12 ILE 35 2HD1 ILE 35 7.231 -7.147 6.073
261 HD13 ILE 35 3HD1 ILE 35 6.073 -7.795 4.898
262 H THR 36 H THR 36 2.168 -2.786 4.965
263 HA THR 36 HA THR 36 3.637 -1.299 7.079
264 HB THR 36 HB THR 36 2.662 -0.185 4.437
265 HG1 THR 36 HG1 THR 36 4.083 -1.196 3.468
266 HG21 THR 36 1HG2 THR 36 5.144 0.574 6.006
267 HG22 THR 36 2HG2 THR 36 4.367 1.451 4.676
268 HG23 THR 36 3HG2 THR 36 3.585 1.383 6.256
269 H VAL 37 H VAL 37 0.446 -1.773 5.594
270 HA VAL 37 HA VAL 37 -0.706 0.266 7.449
271 HB VAL 37 HB VAL 37 -2.030 1.238 5.857
272 HG11 VAL 37 1HG1 VAL 37 0.582 0.786 4.359
273 HG12 VAL 37 2HG1 VAL 37 -0.514 2.145 4.188
274 HG13 VAL 37 3HG1 VAL 37 0.386 1.918 5.711
275 HG21 VAL 37 1HG2 VAL 37 -2.740 -0.783 4.553
276 HG22 VAL 37 2HG2 VAL 37 -2.332 0.633 3.571
277 HG23 VAL 37 3HG2 VAL 37 -1.182 -0.689 3.689
278 H GLU 38 H GLU 38 -3.106 0.211 7.639
279 HA GLU 38 HA GLU 38 -3.918 -2.130 8.913
280 HB2 GLU 38 2HB GLU 38 -4.796 0.152 9.241
281 HB3 GLU 38 3HB GLU 38 -5.695 0.036 7.727
282 HG2 GLU 38 2HG GLU 38 -6.979 -1.896 8.670
283 HG3 GLU 38 3HG GLU 38 -6.073 -1.746 10.179
284 H SER 39 H SER 39 -4.686 -4.012 8.324
285 HA SER 39 HA SER 39 -5.370 -4.508 5.465
286 HB2 SER 39 2HB SER 39 -4.124 -6.295 7.575
287 HB3 SER 39 3HB SER 39 -4.465 -6.763 5.900
288 HG SER 39 HG SER 39 -2.882 -4.497 6.571
289 HA PRO 40 HA PRO 40 -6.384 -6.341 4.186
290 HB2 PRO 40 2HB PRO 40 -9.329 -6.111 3.621
291 HB3 PRO 40 3HB PRO 40 -8.129 -7.252 2.938
292 HG2 PRO 40 2HG PRO 40 -9.831 -8.088 4.865
293 HG3 PRO 40 3HG PRO 40 -8.096 -8.538 4.964
294 HD2 PRO 40 2HD PRO 40 -9.521 -6.260 6.386
295 HD3 PRO 40 3HD PRO 40 -8.427 -7.497 7.066
296 H ILE 41 H ILE 41 -6.351 -5.068 2.261
297 HA ILE 41 HA ILE 41 -6.967 -2.180 2.651
298 HB ILE 41 HB ILE 41 -4.638 -2.808 3.357
299 HG12 ILE 41 2HG1 ILE 41 -3.384 -1.102 2.183
300 HG13 ILE 41 3HG1 ILE 41 -4.555 -1.000 0.905
301 HG21 ILE 41 1HG2 ILE 41 -4.256 -4.619 1.681
302 HG22 ILE 41 2HG2 ILE 41 -4.166 -3.400 0.397
303 HG23 ILE 41 3HG2 ILE 41 -2.964 -3.420 1.686
304 HD11 ILE 41 1HD1 ILE 41 -5.082 -0.262 3.818
305 HD12 ILE 41 2HD1 ILE 41 -4.744 0.874 2.501
306 HD13 ILE 41 3HD1 ILE 41 -6.238 -0.072 2.476
307 H SER 42 H SER 42 -6.722 -0.868 0.728
308 HA SER 42 HA SER 42 -7.907 -2.035 -1.664
309 HB2 SER 42 2HB SER 42 -7.802 0.524 -0.520
310 HB3 SER 42 3HB SER 42 -6.763 0.669 -1.940
311 HG SER 42 HG SER 42 -8.427 0.089 -3.227
312 H GLU 43 H GLU 43 -6.850 -2.655 -3.526
313 HA GLU 43 HA GLU 43 -3.951 -2.858 -3.395
314 HB2 GLU 43 2HB GLU 43 -4.126 -4.079 -5.526
315 HB3 GLU 43 3HB GLU 43 -5.078 -4.736 -4.200
316 HG2 GLU 43 2HG GLU 43 -7.118 -3.658 -5.144
317 HG3 GLU 43 3HG GLU 43 -6.173 -3.096 -6.519
318 H ASN 44 H ASN 44 -5.970 -0.352 -4.667
319 HA ASN 44 HA ASN 44 -3.705 0.689 -6.256
320 HB2 ASN 44 2HB ASN 44 -5.143 2.156 -7.256
321 HB3 ASN 44 3HB ASN 44 -6.109 0.706 -7.082
322 HD21 ASN 44 1HD2 ASN 44 -7.359 3.017 -7.637
323 HD22 ASN 44 2HD2 ASN 44 -8.215 3.597 -6.206
324 H GLY 45 H GLY 45 -4.317 0.787 -3.013
325 HA2 GLY 45 2HA GLY 45 -4.315 3.580 -2.405
326 HA3 GLY 45 3HA GLY 45 -4.169 2.242 -1.270
327 H TRP 46 H TRP 46 -1.926 3.244 -3.857
328 HA TRP 46 HA TRP 46 0.386 2.378 -2.743
329 HB2 TRP 46 2HB TRP 46 0.070 3.344 -5.025
330 HB3 TRP 46 3HB TRP 46 0.058 4.942 -4.335
331 HD1 TRP 46 HD1 TRP 46 2.525 1.974 -4.679
332 HE1 TRP 46 HE1 TRP 46 4.911 2.851 -4.633
333 HE3 TRP 46 HE3 TRP 46 1.583 6.893 -3.706
334 HZ2 TRP 46 HZ2 TRP 46 6.266 5.389 -4.470
335 HZ3 TRP 46 HZ3 TRP 46 3.458 8.528 -3.551
336 HH2 TRP 46 HH2 TRP 46 5.794 7.795 -3.951
337 H CYS 47 H CYS 47 1.991 2.925 -1.350
338 HA CYS 47 HA CYS 47 1.998 5.661 -0.168
339 HB2 CYS 47 2HB CYS 47 2.279 4.790 1.963
340 HB3 CYS 47 3HB CYS 47 1.239 3.539 1.260
341 H ARG 48 H ARG 48 4.057 6.281 0.778
342 HA ARG 48 HA ARG 48 6.336 5.535 -1.014
343 HB2 ARG 48 2HB ARG 48 7.234 7.750 -0.725
344 HB3 ARG 48 3HB ARG 48 5.634 7.810 -1.426
345 HG2 ARG 48 2HG ARG 48 5.849 8.137 1.566
346 HG3 ARG 48 3HG ARG 48 6.452 9.448 0.559
347 HD2 ARG 48 2HD ARG 48 3.671 8.295 0.188
348 HD3 ARG 48 3HD ARG 48 4.023 9.593 1.343
349 HE ARG 48 HE ARG 48 5.092 10.460 -1.107
350 HH11 ARG 48 1HH1 ARG 48 1.830 9.776 0.067
351 HH12 ARG 48 2HH1 ARG 48 1.164 11.094 -0.887
352 HH21 ARG 48 1HH2 ARG 48 4.169 11.914 -2.316
353 HH22 ARG 48 2HH2 ARG 48 2.426 12.158 -2.323
354 H LEU 49 H LEU 49 5.346 4.931 2.056
355 HA LEU 49 HA LEU 49 8.133 4.488 2.904
356 HB2 LEU 49 2HB LEU 49 6.391 6.439 4.080
357 HB3 LEU 49 3HB LEU 49 6.635 5.176 5.274
358 HG LEU 49 HG LEU 49 8.915 6.524 3.770
359 HD11 LEU 49 1HD1 LEU 49 7.812 7.140 6.541
360 HD12 LEU 49 2HD1 LEU 49 9.284 7.829 5.822
361 HD13 LEU 49 3HD1 LEU 49 7.708 8.185 5.105
362 HD21 LEU 49 1HD2 LEU 49 9.486 4.304 4.757
363 HD22 LEU 49 2HD2 LEU 49 10.316 5.627 5.585
364 HD23 LEU 49 3HD2 LEU 49 8.897 4.871 6.335
365 H TYR 50 H TYR 50 6.412 2.800 1.673
366 HA TYR 50 HA TYR 50 5.550 0.535 2.874
367 HB2 TYR 50 2HB TYR 50 6.771 -0.632 0.984
368 HB3 TYR 50 3HB TYR 50 5.700 0.677 0.528
369 HD1 TYR 50 HD1 TYR 50 9.303 -0.258 0.905
370 HD2 TYR 50 HD2 TYR 50 6.490 2.667 -0.549
371 HE1 TYR 50 HE1 TYR 50 11.126 0.884 -0.347
372 HE2 TYR 50 HE2 TYR 50 8.307 3.785 -1.826
373 HH TYR 50 HH TYR 50 10.516 3.777 -2.364
374 H ALA 51 H ALA 51 6.307 -1.131 4.049
375 HA ALA 51 HA ALA 51 8.547 -0.531 5.644
376 HB1 ALA 51 1HB ALA 51 6.470 -1.462 6.538
377 HB2 ALA 51 2HB ALA 51 6.718 -2.941 5.603
378 HB3 ALA 51 3HB ALA 51 7.830 -2.539 6.922
379 H GLY 52 H GLY 52 10.632 -0.829 4.995
380 HA2 GLY 52 2HA GLY 52 11.624 -3.141 3.531
381 HA3 GLY 52 3HA GLY 52 12.586 -2.017 4.501
382 H LYS 53 H LYS 53 11.387 -5.159 4.345
383 HA LYS 53 HA LYS 53 10.997 -5.603 7.201
384 HB2 LYS 53 2HB LYS 53 10.305 -7.831 6.601
385 HB3 LYS 53 3HB LYS 53 9.507 -6.609 5.615
386 HG2 LYS 53 2HG LYS 53 11.084 -7.108 3.739
387 HG3 LYS 53 3HG LYS 53 11.810 -8.394 4.707
388 HD2 LYS 53 2HD LYS 53 8.890 -8.226 3.833
389 HD3 LYS 53 3HD LYS 53 10.119 -9.204 3.045
390 HE2 LYS 53 2HE LYS 53 9.214 -9.588 5.937
391 HE3 LYS 53 3HE LYS 53 8.570 -10.473 4.547
392 HZ1 LYS 53 1HZ LYS 53 10.311 -11.755 5.590
393 HZ2 LYS 53 2HZ LYS 53 10.830 -11.301 4.114
394 HZ3 LYS 53 3HZ LYS 53 11.396 -10.549 5.463
395 H ALA 54 H ALA 54 11.912 -7.377 8.397
396 HA ALA 54 HA ALA 54 14.712 -8.116 7.831
397 HB1 ALA 54 1HB ALA 54 13.852 -6.509 10.282
398 HB2 ALA 54 2HB ALA 54 15.477 -7.171 9.993
399 HB3 ALA 54 3HB ALA 54 14.836 -5.901 8.940
Start of MODEL 15
1 H1 VAL 1 1H VAL 1 5.128 -1.320 18.640
2 H2 VAL 1 2H VAL 1 5.314 -1.361 20.261
3 H3 VAL 1 3H VAL 1 5.953 -2.564 19.339
4 HA VAL 1 HA VAL 1 6.755 0.266 19.338
5 HB VAL 1 HB VAL 1 8.401 -2.080 20.336
6 HG11 VAL 1 1HG1 VAL 1 9.962 -0.325 21.091
7 HG12 VAL 1 2HG1 VAL 1 9.792 -0.277 19.339
8 HG13 VAL 1 3HG1 VAL 1 8.947 0.921 20.339
9 HG21 VAL 1 1HG2 VAL 1 6.669 -1.570 21.979
10 HG22 VAL 1 2HG2 VAL 1 8.201 -0.920 22.542
11 HG23 VAL 1 3HG2 VAL 1 6.998 0.177 21.838
12 H THR 2 H THR 2 8.336 -2.836 18.217
13 HA THR 2 HA THR 2 9.467 -1.242 16.007
14 HB THR 2 HB THR 2 10.930 -3.189 15.609
15 HG1 THR 2 HG1 THR 2 10.956 -4.814 17.133
16 HG21 THR 2 1HG2 THR 2 10.899 -2.309 18.518
17 HG22 THR 2 2HG2 THR 2 12.277 -2.962 17.612
18 HG23 THR 2 3HG2 THR 2 11.605 -1.385 17.171
19 H LYS 3 H LYS 3 6.772 -1.565 15.648
20 HA LYS 3 HA LYS 3 6.412 -3.588 13.488
21 HB2 LYS 3 2HB LYS 3 4.735 -3.197 15.416
22 HB3 LYS 3 3HB LYS 3 4.350 -1.673 14.615
23 HG2 LYS 3 2HG LYS 3 3.704 -3.007 12.556
24 HG3 LYS 3 3HG LYS 3 3.989 -4.489 13.503
25 HD2 LYS 3 2HD LYS 3 2.306 -3.705 15.178
26 HD3 LYS 3 3HD LYS 3 2.059 -2.247 14.196
27 HE2 LYS 3 2HE LYS 3 1.318 -3.685 12.294
28 HE3 LYS 3 3HE LYS 3 1.457 -5.106 13.347
29 HZ1 LYS 3 1HZ LYS 3 -0.309 -2.765 13.834
30 HZ2 LYS 3 2HZ LYS 3 -0.810 -4.253 13.300
31 HZ3 LYS 3 3HZ LYS 3 -0.202 -4.076 14.817
32 H LYS 4 H LYS 4 5.670 -2.875 11.385
33 HA LYS 4 HA LYS 4 6.974 -0.668 10.194
34 HB2 LYS 4 2HB LYS 4 4.342 -1.985 9.367
35 HB3 LYS 4 3HB LYS 4 5.250 -0.870 8.365
36 HG2 LYS 4 2HG LYS 4 5.983 -3.698 9.096
37 HG3 LYS 4 3HG LYS 4 5.760 -2.949 7.517
38 HD2 LYS 4 2HD LYS 4 7.821 -1.521 8.042
39 HD3 LYS 4 3HD LYS 4 8.103 -2.602 9.422
40 HE2 LYS 4 2HE LYS 4 8.178 -4.544 7.899
41 HE3 LYS 4 3HE LYS 4 7.820 -3.499 6.518
42 HZ1 LYS 4 1HZ LYS 4 10.173 -3.865 6.642
43 HZ2 LYS 4 2HZ LYS 4 9.900 -2.292 6.991
44 HZ3 LYS 4 3HZ LYS 4 10.259 -3.342 8.199
45 H ALA 5 H ALA 5 6.275 1.278 9.297
46 HA ALA 5 HA ALA 5 4.887 3.137 10.870
47 HB1 ALA 5 1HB ALA 5 5.089 3.023 7.822
48 HB2 ALA 5 2HB ALA 5 4.782 4.468 8.794
49 HB3 ALA 5 3HB ALA 5 6.360 3.654 8.903
50 H SER 6 H SER 6 2.753 3.463 11.340
51 HA SER 6 HA SER 6 0.633 1.885 10.146
52 HB2 SER 6 2HB SER 6 0.501 4.400 11.849
53 HB3 SER 6 3HB SER 6 -0.849 3.303 11.474
54 HG SER 6 HG SER 6 0.418 2.996 13.553
55 H HIS 7 H HIS 7 -1.001 2.569 8.747
56 HA HIS 7 HA HIS 7 -0.290 3.478 6.355
57 HB2 HIS 7 2HB HIS 7 -2.666 3.772 5.864
58 HB3 HIS 7 3HB HIS 7 -2.406 2.399 6.931
59 HD2 HIS 7 HD2 HIS 7 -5.253 3.711 6.648
60 HE1 HIS 7 HE1 HIS 7 -4.652 5.242 10.575
61 HE2 HIS 7 HE2 HIS 7 -6.395 4.702 8.794
62 H LYS 8 H LYS 8 -1.632 5.698 8.636
63 HA LYS 8 HA LYS 8 -1.386 8.018 6.902
64 HB2 LYS 8 2HB LYS 8 -2.727 9.140 8.302
65 HB3 LYS 8 3HB LYS 8 -3.202 7.504 8.689
66 HG2 LYS 8 2HG LYS 8 -1.369 9.325 10.308
67 HG3 LYS 8 3HG LYS 8 -3.035 8.904 10.677
68 HD2 LYS 8 2HD LYS 8 -2.379 6.545 11.063
69 HD3 LYS 8 3HD LYS 8 -0.691 6.958 10.719
70 HE2 LYS 8 2HE LYS 8 -0.847 8.749 12.528
71 HE3 LYS 8 3HE LYS 8 -2.426 8.072 12.952
72 HZ1 LYS 8 1HZ LYS 8 0.205 6.712 13.094
73 HZ2 LYS 8 2HZ LYS 8 -0.826 7.021 14.345
74 HZ3 LYS 8 3HZ LYS 8 -1.251 5.912 13.261
75 H ASP 9 H ASP 9 0.828 6.700 9.175
76 HA ASP 9 HA ASP 9 2.604 9.104 9.199
77 HB2 ASP 9 2HB ASP 9 2.943 6.239 10.208
78 HB3 ASP 9 3HB ASP 9 4.203 7.461 10.240
79 H ALA 10 H ALA 10 2.199 5.893 7.757
80 HA ALA 10 HA ALA 10 4.465 5.966 5.987
81 HB1 ALA 10 1HB ALA 10 1.865 4.381 5.823
82 HB2 ALA 10 2HB ALA 10 3.392 4.006 5.013
83 HB3 ALA 10 3HB ALA 10 3.271 3.902 6.783
84 H GLY 11 H GLY 11 1.691 7.902 5.899
85 HA2 GLY 11 2HA GLY 11 0.758 9.247 4.315
86 HA3 GLY 11 3HA GLY 11 2.310 9.161 3.493
87 H TYR 12 H TYR 12 -0.302 6.745 4.020
88 HA TYR 12 HA TYR 12 -0.363 5.880 1.273
89 HB2 TYR 12 2HB TYR 12 -1.848 4.332 1.914
90 HB3 TYR 12 3HB TYR 12 -1.023 4.615 3.414
91 HD1 TYR 12 HD1 TYR 12 -2.359 6.999 4.557
92 HD2 TYR 12 HD2 TYR 12 -3.988 3.652 2.374
93 HE1 TYR 12 HE1 TYR 12 -4.538 7.354 5.670
94 HE2 TYR 12 HE2 TYR 12 -6.208 4.030 3.486
95 HH TYR 12 HH TYR 12 -6.653 6.640 5.921
96 H GLN 13 H GLN 13 -2.026 6.086 -0.287
97 HA GLN 13 HA GLN 13 -3.222 8.849 -0.369
98 HB2 GLN 13 2HB GLN 13 -1.685 7.282 -2.481
99 HB3 GLN 13 3HB GLN 13 -2.466 8.810 -2.797
100 HG2 GLN 13 2HG GLN 13 -0.300 8.569 -0.687
101 HG3 GLN 13 3HG GLN 13 0.047 8.811 -2.384
102 HE21 GLN 13 1HE2 GLN 13 1.074 10.661 -0.895
103 HE22 GLN 13 2HE2 GLN 13 0.203 12.182 -1.102
104 H GLU 14 H GLU 14 -4.527 8.965 -2.584
105 HA GLU 14 HA GLU 14 -6.071 6.451 -3.106
106 HB2 GLU 14 2HB GLU 14 -6.989 9.351 -3.076
107 HB3 GLU 14 3HB GLU 14 -7.895 8.067 -3.887
108 HG2 GLU 14 2HG GLU 14 -8.099 6.821 -1.779
109 HG3 GLU 14 3HG GLU 14 -7.153 8.044 -0.931
110 H SER 15 H SER 15 -4.259 9.164 -4.455
111 HA SER 15 HA SER 15 -4.491 8.011 -7.195
112 HB2 SER 15 2HB SER 15 -3.180 10.547 -6.198
113 HB3 SER 15 3HB SER 15 -3.107 9.950 -7.869
114 HG SER 15 HG SER 15 -5.116 11.228 -6.575
115 HA PRO 16 HA PRO 16 -0.638 6.031 -5.874
116 HB2 PRO 16 2HB PRO 16 -0.799 3.707 -7.204
117 HB3 PRO 16 3HB PRO 16 -2.023 4.124 -5.962
118 HG2 PRO 16 2HG PRO 16 -2.234 4.492 -8.975
119 HG3 PRO 16 3HG PRO 16 -3.399 3.692 -7.874
120 HD2 PRO 16 2HD PRO 16 -3.619 6.337 -8.627
121 HD3 PRO 16 3HD PRO 16 -4.170 5.722 -7.042
122 H ASN 17 H ASN 17 1.372 5.200 -6.762
123 HA ASN 17 HA ASN 17 2.457 6.287 -9.204
124 HB2 ASN 17 2HB ASN 17 3.903 5.536 -7.360
125 HB3 ASN 17 3HB ASN 17 3.237 3.898 -7.453
126 HD21 ASN 17 1HD2 ASN 17 5.065 6.337 -9.352
127 HD22 ASN 17 2HD2 ASN 17 5.870 5.113 -10.357
128 H GLY 18 H GLY 18 2.494 5.424 -11.280
129 HA2 GLY 18 2HA GLY 18 0.368 3.720 -12.048
130 HA3 GLY 18 3HA GLY 18 1.720 4.220 -13.071
131 H ALA 19 H ALA 19 3.899 2.974 -12.015
132 HA ALA 19 HA ALA 19 3.411 0.375 -13.171
133 HB1 ALA 19 1HB ALA 19 5.967 1.678 -12.164
134 HB2 ALA 19 2HB ALA 19 5.864 0.225 -13.177
135 HB3 ALA 19 3HB ALA 19 5.308 1.786 -13.810
136 H LYS 20 H LYS 20 4.253 1.398 -9.839
137 HA LYS 20 HA LYS 20 3.569 -1.358 -8.963
138 HB2 LYS 20 2HB LYS 20 6.143 0.052 -8.216
139 HB3 LYS 20 3HB LYS 20 5.443 -1.259 -7.242
140 HG2 LYS 20 2HG LYS 20 5.456 -2.722 -9.255
141 HG3 LYS 20 3HG LYS 20 6.261 -1.417 -10.142
142 HD2 LYS 20 2HD LYS 20 8.124 -1.515 -8.416
143 HD3 LYS 20 3HD LYS 20 7.369 -2.988 -7.788
144 HE2 LYS 20 2HE LYS 20 8.474 -2.504 -10.594
145 HE3 LYS 20 3HE LYS 20 9.178 -3.543 -9.356
146 HZ1 LYS 20 1HZ LYS 20 7.969 -4.853 -10.952
147 HZ2 LYS 20 2HZ LYS 20 7.183 -4.954 -9.525
148 HZ3 LYS 20 3HZ LYS 20 6.579 -4.009 -10.734
149 H ARG 21 H ARG 21 1.554 -0.386 -8.480
150 HA ARG 21 HA ARG 21 1.456 1.104 -5.901
151 HB2 ARG 21 2HB ARG 21 -0.852 1.327 -6.275
152 HB3 ARG 21 3HB ARG 21 -0.114 1.507 -7.860
153 HG2 ARG 21 2HG ARG 21 -0.616 -1.083 -8.115
154 HG3 ARG 21 3HG ARG 21 -1.660 -0.843 -6.711
155 HD2 ARG 21 2HD ARG 21 -3.008 -0.635 -8.710
156 HD3 ARG 21 3HD ARG 21 -2.850 0.976 -7.979
157 HE ARG 21 HE ARG 21 -0.808 0.329 -9.984
158 HH11 ARG 21 1HH1 ARG 21 -4.020 1.742 -9.630
159 HH12 ARG 21 2HH1 ARG 21 -3.909 2.537 -11.188
160 HH21 ARG 21 1HH2 ARG 21 -0.686 1.521 -11.840
161 HH22 ARG 21 2HH2 ARG 21 -2.035 2.508 -12.346
162 H CYS 22 H CYS 22 -0.383 0.058 -4.359
163 HA CYS 22 HA CYS 22 0.468 -2.264 -3.106
164 HB2 CYS 22 2HB CYS 22 -2.345 -1.154 -3.375
165 HB3 CYS 22 3HB CYS 22 -1.731 -2.108 -2.055
166 H GLY 23 H GLY 23 -0.366 -4.497 -3.105
167 HA2 GLY 23 2HA GLY 23 -1.057 -6.458 -4.221
168 HA3 GLY 23 3HA GLY 23 -1.664 -5.498 -5.549
169 H THR 24 H THR 24 0.873 -4.066 -6.055
170 HA THR 24 HA THR 24 2.824 -6.248 -6.642
171 HB THR 24 HB THR 24 1.567 -5.829 -8.674
172 HG1 THR 24 HG1 THR 24 4.187 -4.824 -8.699
173 HG21 THR 24 1HG2 THR 24 2.036 -3.630 -9.904
174 HG22 THR 24 2HG2 THR 24 0.826 -3.592 -8.611
175 HG23 THR 24 3HG2 THR 24 2.442 -2.962 -8.304
176 H CYS 25 H CYS 25 2.610 -4.224 -4.529
177 HA CYS 25 HA CYS 25 4.416 -2.078 -4.847
178 HB2 CYS 25 2HB CYS 25 2.899 -1.879 -3.094
179 HB3 CYS 25 3HB CYS 25 3.126 -3.521 -2.545
180 H ARG 26 H ARG 26 6.304 -1.789 -3.306
181 HA ARG 26 HA ARG 26 8.562 -3.424 -4.133
182 HB2 ARG 26 2HB ARG 26 8.139 -1.280 -2.015
183 HB3 ARG 26 3HB ARG 26 9.680 -2.128 -2.222
184 HG2 ARG 26 2HG ARG 26 9.850 -1.346 -4.539
185 HG3 ARG 26 3HG ARG 26 8.320 -0.459 -4.377
186 HD2 ARG 26 2HD ARG 26 9.237 0.972 -2.659
187 HD3 ARG 26 3HD ARG 26 10.691 -0.002 -2.515
188 HE ARG 26 HE ARG 26 10.186 2.084 -4.470
189 HH11 ARG 26 1HH1 ARG 26 12.236 -0.742 -3.854
190 HH12 ARG 26 2HH1 ARG 26 13.362 -0.257 -5.086
191 HH21 ARG 26 1HH2 ARG 26 11.688 2.670 -5.838
192 HH22 ARG 26 2HH2 ARG 26 13.039 1.602 -6.236
193 H GLN 27 H GLN 27 6.269 -3.710 -1.467
194 HA GLN 27 HA GLN 27 7.474 -6.372 -1.062
195 HB2 GLN 27 2HB GLN 27 8.566 -5.023 0.627
196 HB3 GLN 27 3HB GLN 27 7.005 -4.435 1.211
197 HG2 GLN 27 2HG GLN 27 7.859 -6.071 2.733
198 HG3 GLN 27 3HG GLN 27 6.429 -6.710 1.956
199 HE21 GLN 27 1HE2 GLN 27 7.475 -8.699 2.962
200 HE22 GLN 27 2HE2 GLN 27 8.809 -9.484 2.111
201 H PHE 28 H PHE 28 4.586 -4.363 -0.235
202 HA PHE 28 HA PHE 28 2.449 -4.969 0.265
203 HB2 PHE 28 2HB PHE 28 2.733 -5.627 -2.161
204 HB3 PHE 28 3HB PHE 28 2.991 -7.273 -1.641
205 HD1 PHE 28 HD1 PHE 28 0.380 -4.739 -0.541
206 HD2 PHE 28 HD2 PHE 28 1.200 -8.478 -2.535
207 HE1 PHE 28 HE1 PHE 28 -2.044 -5.144 -0.795
208 HE2 PHE 28 HE2 PHE 28 -1.237 -8.902 -2.720
209 HZ PHE 28 HZ PHE 28 -2.860 -7.224 -1.855
210 H ARG 29 H ARG 29 0.937 -7.174 0.749
211 HA ARG 29 HA ARG 29 2.413 -9.258 2.182
212 HB2 ARG 29 2HB ARG 29 1.901 -7.337 3.787
213 HB3 ARG 29 3HB ARG 29 0.228 -7.864 3.768
214 HG2 ARG 29 2HG ARG 29 2.578 -9.681 4.454
215 HG3 ARG 29 3HG ARG 29 1.824 -8.629 5.645
216 HD2 ARG 29 2HD ARG 29 -0.303 -9.771 5.464
217 HD3 ARG 29 3HD ARG 29 0.271 -10.703 4.083
218 HE ARG 29 HE ARG 29 1.399 -12.168 5.496
219 HH11 ARG 29 1HH1 ARG 29 0.536 -9.378 7.509
220 HH12 ARG 29 2HH1 ARG 29 1.115 -10.195 8.942
221 HH21 ARG 29 1HH2 ARG 29 2.070 -13.043 7.286
222 HH22 ARG 29 2HH2 ARG 29 2.064 -12.187 8.823
223 HA PRO 30 HA PRO 30 -1.181 -10.313 -0.579
224 HB2 PRO 30 2HB PRO 30 -0.046 -12.544 -1.795
225 HB3 PRO 30 3HB PRO 30 0.160 -10.862 -2.356
226 HG2 PRO 30 2HG PRO 30 2.008 -12.498 -0.603
227 HG3 PRO 30 3HG PRO 30 2.421 -11.471 -2.016
228 HD2 PRO 30 2HD PRO 30 2.711 -10.592 0.523
229 HD3 PRO 30 3HD PRO 30 2.179 -9.488 -0.767
230 HA PRO 31 HA PRO 31 -2.313 -12.597 -1.776
231 HB2 PRO 31 2HB PRO 31 -5.021 -13.010 -0.558
232 HB3 PRO 31 3HB PRO 31 -4.246 -13.867 -1.923
233 HG2 PRO 31 2HG PRO 31 -4.422 -15.046 0.505
234 HG3 PRO 31 3HG PRO 31 -2.889 -15.160 -0.424
235 HD2 PRO 31 2HD PRO 31 -3.594 -13.212 1.786
236 HD3 PRO 31 3HD PRO 31 -2.146 -14.240 1.622
237 H SER 32 H SER 32 -3.836 -10.638 0.765
238 HA SER 32 HA SER 32 -4.655 -8.520 -1.163
239 HB2 SER 32 2HB SER 32 -7.000 -8.677 -0.234
240 HB3 SER 32 3HB SER 32 -6.501 -10.075 -1.192
241 HG SER 32 HG SER 32 -7.493 -10.769 0.692
242 H SER 33 H SER 33 -2.880 -8.842 1.403
243 HA SER 33 HA SER 33 -4.019 -6.541 2.932
244 HB2 SER 33 2HB SER 33 -2.270 -8.801 3.945
245 HB3 SER 33 3HB SER 33 -2.890 -7.455 4.898
246 HG SER 33 HG SER 33 -4.314 -9.583 3.693
247 H CYS 34 H CYS 34 -2.367 -5.256 4.063
248 HA CYS 34 HA CYS 34 0.214 -5.056 2.549
249 HB2 CYS 34 2HB CYS 34 -1.171 -3.041 2.327
250 HB3 CYS 34 3HB CYS 34 -1.259 -2.907 4.101
251 H ILE 35 H ILE 35 2.052 -4.473 3.802
252 HA ILE 35 HA ILE 35 2.156 -5.763 6.479
253 HB ILE 35 HB ILE 35 3.797 -6.466 4.745
254 HG12 ILE 35 2HG1 ILE 35 5.836 -6.349 6.092
255 HG13 ILE 35 3HG1 ILE 35 5.114 -5.136 7.135
256 HG21 ILE 35 1HG2 ILE 35 4.122 -4.316 3.568
257 HG22 ILE 35 2HG2 ILE 35 4.950 -3.656 4.995
258 HG23 ILE 35 3HG2 ILE 35 5.654 -5.013 4.098
259 HD11 ILE 35 1HD1 ILE 35 4.057 -7.975 6.767
260 HD12 ILE 35 2HD1 ILE 35 5.077 -7.422 8.108
261 HD13 ILE 35 3HD1 ILE 35 3.445 -6.769 7.930
262 H THR 36 H THR 36 2.001 -2.746 4.926
263 HA THR 36 HA THR 36 2.871 -1.096 7.233
264 HB THR 36 HB THR 36 1.866 -0.323 4.461
265 HG1 THR 36 HG1 THR 36 3.667 -0.734 3.684
266 HG21 THR 36 1HG2 THR 36 3.674 1.225 6.328
267 HG22 THR 36 2HG2 THR 36 3.014 1.737 4.755
268 HG23 THR 36 3HG2 THR 36 1.931 1.524 6.139
269 H VAL 37 H VAL 37 0.112 -1.469 4.998
270 HA VAL 37 HA VAL 37 -1.506 0.330 6.648
271 HB VAL 37 HB VAL 37 -1.826 -0.679 3.809
272 HG11 VAL 37 1HG1 VAL 37 -3.526 1.393 5.266
273 HG12 VAL 37 2HG1 VAL 37 -3.499 1.125 3.516
274 HG13 VAL 37 3HG1 VAL 37 -4.066 -0.150 4.580
275 HG21 VAL 37 1HG2 VAL 37 0.032 0.882 4.066
276 HG22 VAL 37 2HG2 VAL 37 -1.301 1.730 3.296
277 HG23 VAL 37 3HG2 VAL 37 -0.974 1.988 5.010
278 H GLU 38 H GLU 38 -3.580 0.067 7.263
279 HA GLU 38 HA GLU 38 -4.539 -2.283 8.424
280 HB2 GLU 38 2HB GLU 38 -5.220 0.158 8.727
281 HB3 GLU 38 3HB GLU 38 -6.155 0.027 7.244
282 HG2 GLU 38 2HG GLU 38 -7.620 -0.244 9.165
283 HG3 GLU 38 3HG GLU 38 -7.549 -1.761 8.267
284 H SER 39 H SER 39 -5.871 -3.992 7.755
285 HA SER 39 HA SER 39 -6.185 -4.232 4.789
286 HB2 SER 39 2HB SER 39 -4.778 -6.094 6.709
287 HB3 SER 39 3HB SER 39 -5.211 -6.519 5.055
288 HG SER 39 HG SER 39 -3.605 -4.282 5.811
289 HA PRO 40 HA PRO 40 -6.602 -6.467 3.490
290 HB2 PRO 40 2HB PRO 40 -8.642 -6.966 1.785
291 HB3 PRO 40 3HB PRO 40 -8.082 -8.152 3.003
292 HG2 PRO 40 2HG PRO 40 -10.405 -6.206 3.247
293 HG3 PRO 40 3HG PRO 40 -10.405 -7.971 3.560
294 HD2 PRO 40 2HD PRO 40 -10.105 -6.162 5.573
295 HD3 PRO 40 3HD PRO 40 -9.205 -7.705 5.577
296 H ILE 41 H ILE 41 -6.332 -5.363 1.472
297 HA ILE 41 HA ILE 41 -7.213 -2.513 1.669
298 HB ILE 41 HB ILE 41 -5.031 -2.981 2.742
299 HG12 ILE 41 2HG1 ILE 41 -3.709 -1.203 1.821
300 HG13 ILE 41 3HG1 ILE 41 -4.583 -1.223 0.300
301 HG21 ILE 41 1HG2 ILE 41 -4.256 -4.806 1.235
302 HG22 ILE 41 2HG2 ILE 41 -4.020 -3.618 -0.061
303 HG23 ILE 41 3HG2 ILE 41 -3.059 -3.525 1.415
304 HD11 ILE 41 1HD1 ILE 41 -6.621 -0.370 1.443
305 HD12 ILE 41 2HD1 ILE 41 -5.782 -0.469 3.003
306 HD13 ILE 41 3HD1 ILE 41 -5.231 0.671 1.761
307 H SER 42 H SER 42 -6.850 -1.187 -0.152
308 HA SER 42 HA SER 42 -7.836 -2.158 -2.658
309 HB2 SER 42 2HB SER 42 -7.929 0.207 -1.569
310 HB3 SER 42 3HB SER 42 -6.294 0.418 -2.160
311 HG SER 42 HG SER 42 -8.552 -0.254 -3.785
312 H GLU 43 H GLU 43 -6.656 -1.630 -4.766
313 HA GLU 43 HA GLU 43 -3.713 -2.041 -4.601
314 HB2 GLU 43 2HB GLU 43 -3.585 -2.291 -6.814
315 HB3 GLU 43 3HB GLU 43 -4.873 -3.366 -6.296
316 HG2 GLU 43 2HG GLU 43 -5.346 -0.671 -7.639
317 HG3 GLU 43 3HG GLU 43 -5.257 -2.191 -8.499
318 H ASN 44 H ASN 44 -6.227 0.393 -5.244
319 HA ASN 44 HA ASN 44 -4.220 2.440 -5.927
320 HB2 ASN 44 2HB ASN 44 -7.252 2.453 -5.859
321 HB3 ASN 44 3HB ASN 44 -6.274 3.862 -6.260
322 HD21 ASN 44 1HD2 ASN 44 -8.099 3.010 -8.103
323 HD22 ASN 44 2HD2 ASN 44 -7.245 2.265 -9.446
324 H GLY 45 H GLY 45 -3.804 1.448 -3.372
325 HA2 GLY 45 2HA GLY 45 -4.657 3.624 -1.494
326 HA3 GLY 45 3HA GLY 45 -4.070 2.027 -1.039
327 H TRP 46 H TRP 46 -1.971 2.705 -3.303
328 HA TRP 46 HA TRP 46 0.275 2.451 -2.197
329 HB2 TRP 46 2HB TRP 46 0.034 2.933 -4.551
330 HB3 TRP 46 3HB TRP 46 -0.247 4.637 -4.208
331 HD1 TRP 46 HD1 TRP 46 2.625 2.092 -3.637
332 HE1 TRP 46 HE1 TRP 46 4.863 3.282 -3.960
333 HE3 TRP 46 HE3 TRP 46 0.918 6.857 -4.497
334 HZ2 TRP 46 HZ2 TRP 46 5.799 5.888 -4.755
335 HZ3 TRP 46 HZ3 TRP 46 2.510 8.656 -5.111
336 HH2 TRP 46 HH2 TRP 46 4.948 8.183 -5.255
337 H CYS 47 H CYS 47 1.828 3.141 -0.884
338 HA CYS 47 HA CYS 47 1.485 5.788 0.440
339 HB2 CYS 47 2HB CYS 47 1.904 4.697 2.506
340 HB3 CYS 47 3HB CYS 47 0.879 3.564 1.632
341 H ARG 48 H ARG 48 3.577 5.910 1.988
342 HA ARG 48 HA ARG 48 6.062 5.852 0.375
343 HB2 ARG 48 2HB ARG 48 6.707 8.070 1.184
344 HB3 ARG 48 3HB ARG 48 5.282 8.104 0.155
345 HG2 ARG 48 2HG ARG 48 3.839 8.358 2.127
346 HG3 ARG 48 3HG ARG 48 5.264 8.303 3.198
347 HD2 ARG 48 2HD ARG 48 6.162 10.314 2.052
348 HD3 ARG 48 3HD ARG 48 4.749 10.337 0.991
349 HE ARG 48 HE ARG 48 4.776 10.878 3.945
350 HH11 ARG 48 1HH1 ARG 48 2.782 10.944 1.003
351 HH12 ARG 48 2HH1 ARG 48 1.743 12.169 1.740
352 HH21 ARG 48 1HH2 ARG 48 3.346 12.442 4.673
353 HH22 ARG 48 2HH2 ARG 48 1.998 12.882 3.627
354 H LEU 49 H LEU 49 4.836 4.284 2.757
355 HA LEU 49 HA LEU 49 7.594 4.041 3.879
356 HB2 LEU 49 2HB LEU 49 5.739 3.373 5.454
357 HB3 LEU 49 3HB LEU 49 5.322 2.087 4.308
358 HG LEU 49 HG LEU 49 7.745 1.267 4.506
359 HD11 LEU 49 1HD1 LEU 49 7.781 3.215 6.856
360 HD12 LEU 49 2HD1 LEU 49 8.983 1.948 6.550
361 HD13 LEU 49 3HD1 LEU 49 8.827 3.281 5.421
362 HD21 LEU 49 1HD2 LEU 49 5.948 0.140 5.714
363 HD22 LEU 49 2HD2 LEU 49 7.462 0.146 6.619
364 HD23 LEU 49 3HD2 LEU 49 6.154 1.248 7.082
365 H TYR 50 H TYR 50 5.175 2.447 1.750
366 HA TYR 50 HA TYR 50 5.424 1.108 -0.055
367 HB2 TYR 50 2HB TYR 50 6.085 3.467 -0.676
368 HB3 TYR 50 3HB TYR 50 7.761 2.984 -0.553
369 HD1 TYR 50 HD1 TYR 50 5.246 0.684 -2.128
370 HD2 TYR 50 HD2 TYR 50 8.135 3.838 -2.768
371 HE1 TYR 50 HE1 TYR 50 5.044 0.387 -4.566
372 HE2 TYR 50 HE2 TYR 50 7.910 3.525 -5.232
373 HH TYR 50 HH TYR 50 5.429 1.406 -6.580
374 H ALA 51 H ALA 51 6.037 -0.496 1.596
375 HA ALA 51 HA ALA 51 8.491 -0.571 2.789
376 HB1 ALA 51 1HB ALA 51 7.626 -2.603 3.909
377 HB2 ALA 51 2HB ALA 51 6.400 -1.335 3.771
378 HB3 ALA 51 3HB ALA 51 6.354 -2.728 2.674
379 H GLY 52 H GLY 52 9.872 -2.526 3.236
380 HA2 GLY 52 2HA GLY 52 10.690 -4.672 2.214
381 HA3 GLY 52 3HA GLY 52 10.785 -3.818 0.672
382 H LYS 53 H LYS 53 11.794 -1.389 2.353
383 HA LYS 53 HA LYS 53 14.667 -1.912 2.378
384 HB2 LYS 53 2HB LYS 53 12.871 0.381 3.243
385 HB3 LYS 53 3HB LYS 53 14.602 0.403 3.589
386 HG2 LYS 53 2HG LYS 53 15.184 0.298 1.251
387 HG3 LYS 53 3HG LYS 53 13.496 0.044 0.782
388 HD2 LYS 53 2HD LYS 53 12.893 2.297 1.570
389 HD3 LYS 53 3HD LYS 53 14.534 2.548 2.173
390 HE2 LYS 53 2HE LYS 53 14.221 3.730 0.065
391 HE3 LYS 53 3HE LYS 53 15.436 2.463 -0.114
392 HZ1 LYS 53 1HZ LYS 53 12.597 2.195 -0.963
393 HZ2 LYS 53 2HZ LYS 53 13.857 2.555 -1.967
394 HZ3 LYS 53 3HZ LYS 53 13.828 1.099 -1.220
395 H ALA 54 H ALA 54 16.014 -1.590 4.326
396 HA ALA 54 HA ALA 54 14.828 -2.816 6.783
397 HB1 ALA 54 1HB ALA 54 17.709 -2.720 5.820
398 HB2 ALA 54 2HB ALA 54 17.134 -3.474 7.318
399 HB3 ALA 54 3HB ALA 54 16.620 -4.123 5.746
Start of MODEL 16
1 H1 VAL 1 1H VAL 1 10.244 -4.726 19.879
2 H2 VAL 1 2H VAL 1 9.588 -6.207 19.987
3 H3 VAL 1 3H VAL 1 9.605 -5.231 21.314
4 HA VAL 1 HA VAL 1 7.397 -5.391 20.215
5 HB VAL 1 HB VAL 1 6.926 -2.977 20.047
6 HG11 VAL 1 1HG1 VAL 1 8.587 -3.723 22.497
7 HG12 VAL 1 2HG1 VAL 1 7.339 -2.466 22.384
8 HG13 VAL 1 3HG1 VAL 1 6.888 -4.166 22.219
9 HG21 VAL 1 1HG2 VAL 1 8.610 -1.330 20.632
10 HG22 VAL 1 2HG2 VAL 1 9.879 -2.558 20.697
11 HG23 VAL 1 3HG2 VAL 1 9.094 -2.149 19.147
12 H THR 2 H THR 2 6.114 -5.025 18.373
13 HA THR 2 HA THR 2 7.528 -4.485 15.793
14 HB THR 2 HB THR 2 5.759 -6.910 16.316
15 HG1 THR 2 HG1 THR 2 7.432 -8.039 16.610
16 HG21 THR 2 1HG2 THR 2 7.404 -6.024 13.907
17 HG22 THR 2 2HG2 THR 2 6.698 -7.642 14.099
18 HG23 THR 2 3HG2 THR 2 5.641 -6.227 13.986
19 H LYS 3 H LYS 3 6.335 -2.904 14.774
20 HA LYS 3 HA LYS 3 3.341 -3.092 14.886
21 HB2 LYS 3 2HB LYS 3 3.196 -0.657 15.011
22 HB3 LYS 3 3HB LYS 3 3.986 -1.343 16.428
23 HG2 LYS 3 2HG LYS 3 6.160 -0.612 15.701
24 HG3 LYS 3 3HG LYS 3 5.561 -0.173 14.093
25 HD2 LYS 3 2HD LYS 3 4.185 1.611 15.038
26 HD3 LYS 3 3HD LYS 3 4.738 1.199 16.680
27 HE2 LYS 3 2HE LYS 3 7.050 1.716 16.070
28 HE3 LYS 3 3HE LYS 3 6.588 1.987 14.381
29 HZ1 LYS 3 1HZ LYS 3 5.606 3.632 16.654
30 HZ2 LYS 3 2HZ LYS 3 6.847 4.040 15.686
31 HZ3 LYS 3 3HZ LYS 3 5.333 3.913 15.042
32 H LYS 4 H LYS 4 2.145 -2.290 13.194
33 HA LYS 4 HA LYS 4 3.404 -2.003 10.531
34 HB2 LYS 4 2HB LYS 4 0.554 -1.502 11.519
35 HB3 LYS 4 3HB LYS 4 1.075 -1.358 9.850
36 HG2 LYS 4 2HG LYS 4 1.010 -3.922 11.488
37 HG3 LYS 4 3HG LYS 4 -0.084 -3.450 10.183
38 HD2 LYS 4 2HD LYS 4 1.895 -3.404 8.619
39 HD3 LYS 4 3HD LYS 4 2.862 -4.139 9.903
40 HE2 LYS 4 2HE LYS 4 0.355 -5.332 8.616
41 HE3 LYS 4 3HE LYS 4 2.029 -5.783 8.280
42 HZ1 LYS 4 1HZ LYS 4 2.145 -6.262 10.778
43 HZ2 LYS 4 2HZ LYS 4 0.520 -6.328 10.766
44 HZ3 LYS 4 3HZ LYS 4 1.420 -7.344 9.797
45 H ALA 5 H ALA 5 3.089 -0.002 9.292
46 HA ALA 5 HA ALA 5 3.646 2.413 10.890
47 HB1 ALA 5 1HB ALA 5 3.589 2.011 7.878
48 HB2 ALA 5 2HB ALA 5 4.213 3.427 8.754
49 HB3 ALA 5 3HB ALA 5 5.040 1.867 8.899
50 H SER 6 H SER 6 2.426 4.405 10.506
51 HA SER 6 HA SER 6 -0.384 4.001 10.692
52 HB2 SER 6 2HB SER 6 1.132 6.571 10.155
53 HB3 SER 6 3HB SER 6 -0.557 6.429 10.684
54 HG SER 6 HG SER 6 1.530 6.554 12.191
55 H HIS 7 H HIS 7 -1.915 3.794 9.274
56 HA HIS 7 HA HIS 7 -1.171 2.884 6.731
57 HB2 HIS 7 2HB HIS 7 -3.464 2.155 6.549
58 HB3 HIS 7 3HB HIS 7 -2.962 1.963 8.221
59 HD2 HIS 7 HD2 HIS 7 -5.062 4.384 6.012
60 HE1 HIS 7 HE1 HIS 7 -6.376 4.935 10.025
61 HE2 HIS 7 HE2 HIS 7 -6.732 5.636 7.612
62 H LYS 8 H LYS 8 -2.064 6.165 7.286
63 HA LYS 8 HA LYS 8 -2.185 6.470 4.315
64 HB2 LYS 8 2HB LYS 8 -3.902 8.209 4.474
65 HB3 LYS 8 3HB LYS 8 -4.429 6.605 4.931
66 HG2 LYS 8 2HG LYS 8 -5.526 7.968 6.412
67 HG3 LYS 8 3HG LYS 8 -4.221 7.311 7.382
68 HD2 LYS 8 2HD LYS 8 -2.984 9.479 7.112
69 HD3 LYS 8 3HD LYS 8 -4.293 10.062 6.068
70 HE2 LYS 8 2HE LYS 8 -5.883 9.668 8.039
71 HE3 LYS 8 3HE LYS 8 -4.457 9.327 9.028
72 HZ1 LYS 8 1HZ LYS 8 -5.026 11.630 9.288
73 HZ2 LYS 8 2HZ LYS 8 -3.661 11.605 8.365
74 HZ3 LYS 8 3HZ LYS 8 -5.113 11.883 7.674
75 H ASP 9 H ASP 9 -1.019 7.747 7.332
76 HA ASP 9 HA ASP 9 0.198 10.090 6.113
77 HB2 ASP 9 2HB ASP 9 -0.575 9.747 8.518
78 HB3 ASP 9 3HB ASP 9 0.918 8.831 8.775
79 H ALA 10 H ALA 10 1.367 6.821 6.966
80 HA ALA 10 HA ALA 10 3.681 7.166 5.066
81 HB1 ALA 10 1HB ALA 10 4.814 5.454 6.415
82 HB2 ALA 10 2HB ALA 10 4.418 6.858 7.422
83 HB3 ALA 10 3HB ALA 10 3.431 5.380 7.526
84 H GLY 11 H GLY 11 0.771 5.487 5.712
85 HA2 GLY 11 2HA GLY 11 1.363 3.265 3.890
86 HA3 GLY 11 3HA GLY 11 -0.049 3.533 4.891
87 H TYR 12 H TYR 12 -1.172 2.696 3.066
88 HA TYR 12 HA TYR 12 -1.010 3.529 0.480
89 HB2 TYR 12 2HB TYR 12 -2.736 2.132 0.021
90 HB3 TYR 12 3HB TYR 12 -2.155 1.481 1.529
91 HD1 TYR 12 HD1 TYR 12 -3.497 1.958 3.684
92 HD2 TYR 12 HD2 TYR 12 -4.955 2.944 -0.244
93 HE1 TYR 12 HE1 TYR 12 -5.813 2.145 4.586
94 HE2 TYR 12 HE2 TYR 12 -7.255 3.191 0.661
95 HH TYR 12 HH TYR 12 -8.569 3.138 2.498
96 H GLN 13 H GLN 13 -2.024 4.899 -0.913
97 HA GLN 13 HA GLN 13 -3.754 7.076 0.172
98 HB2 GLN 13 2HB GLN 13 -2.241 6.883 -2.460
99 HB3 GLN 13 3HB GLN 13 -3.078 8.295 -1.843
100 HG2 GLN 13 2HG GLN 13 -0.547 7.048 -0.679
101 HG3 GLN 13 3HG GLN 13 -0.665 8.532 -1.603
102 HE21 GLN 13 1HE2 GLN 13 -1.212 7.063 1.582
103 HE22 GLN 13 2HE2 GLN 13 -1.468 8.577 2.412
104 H GLU 14 H GLU 14 -5.427 7.866 -1.520
105 HA GLU 14 HA GLU 14 -6.524 5.597 -3.151
106 HB2 GLU 14 2HB GLU 14 -8.032 8.017 -2.086
107 HB3 GLU 14 3HB GLU 14 -8.649 6.872 -3.283
108 HG2 GLU 14 2HG GLU 14 -8.188 5.024 -1.564
109 HG3 GLU 14 3HG GLU 14 -8.055 6.323 -0.373
110 H SER 15 H SER 15 -4.228 7.384 -3.711
111 HA SER 15 HA SER 15 -5.092 8.361 -6.377
112 HB2 SER 15 2HB SER 15 -5.080 10.270 -4.764
113 HB3 SER 15 3HB SER 15 -3.351 9.998 -4.506
114 HG SER 15 HG SER 15 -3.232 11.354 -6.109
115 HA PRO 16 HA PRO 16 -1.600 5.443 -6.040
116 HB2 PRO 16 2HB PRO 16 -2.610 4.486 -8.718
117 HB3 PRO 16 3HB PRO 16 -2.033 3.537 -7.321
118 HG2 PRO 16 2HG PRO 16 -4.685 3.815 -7.744
119 HG3 PRO 16 3HG PRO 16 -4.051 4.059 -6.078
120 HD2 PRO 16 2HD PRO 16 -4.643 6.170 -8.188
121 HD3 PRO 16 3HD PRO 16 -5.201 6.100 -6.496
122 H ASN 17 H ASN 17 0.455 5.322 -6.697
123 HA ASN 17 HA ASN 17 1.662 7.147 -8.558
124 HB2 ASN 17 2HB ASN 17 2.749 6.276 -6.545
125 HB3 ASN 17 3HB ASN 17 2.630 4.624 -7.154
126 HD21 ASN 17 1HD2 ASN 17 4.817 4.254 -6.997
127 HD22 ASN 17 2HD2 ASN 17 6.041 5.168 -7.848
128 H GLY 18 H GLY 18 2.065 6.975 -10.673
129 HA2 GLY 18 2HA GLY 18 1.058 4.822 -12.311
130 HA3 GLY 18 3HA GLY 18 2.012 6.214 -12.836
131 H ALA 19 H ALA 19 4.083 5.229 -10.673
132 HA ALA 19 HA ALA 19 5.339 3.014 -12.208
133 HB1 ALA 19 1HB ALA 19 6.442 4.715 -9.937
134 HB2 ALA 19 2HB ALA 19 7.321 3.468 -10.855
135 HB3 ALA 19 3HB ALA 19 6.759 4.933 -11.667
136 H LYS 20 H LYS 20 6.400 2.543 -9.167
137 HA LYS 20 HA LYS 20 4.889 0.095 -8.769
138 HB2 LYS 20 2HB LYS 20 6.950 1.511 -7.039
139 HB3 LYS 20 3HB LYS 20 6.285 -0.092 -6.714
140 HG2 LYS 20 2HG LYS 20 7.120 -0.843 -8.991
141 HG3 LYS 20 3HG LYS 20 7.865 0.742 -9.186
142 HD2 LYS 20 2HD LYS 20 9.633 -0.582 -8.466
143 HD3 LYS 20 3HD LYS 20 9.139 0.299 -7.020
144 HE2 LYS 20 2HE LYS 20 9.673 -1.980 -6.454
145 HE3 LYS 20 3HE LYS 20 7.950 -1.700 -6.189
146 HZ1 LYS 20 1HZ LYS 20 8.564 -3.821 -7.381
147 HZ2 LYS 20 2HZ LYS 20 7.423 -2.924 -8.105
148 HZ3 LYS 20 3HZ LYS 20 8.964 -2.922 -8.703
149 H ARG 21 H ARG 21 3.234 -0.389 -7.468
150 HA ARG 21 HA ARG 21 2.301 1.503 -5.381
151 HB2 ARG 21 2HB ARG 21 0.076 1.642 -6.184
152 HB3 ARG 21 3HB ARG 21 1.108 2.016 -7.554
153 HG2 ARG 21 2HG ARG 21 0.765 -0.589 -8.085
154 HG3 ARG 21 3HG ARG 21 -0.581 -0.432 -6.926
155 HD2 ARG 21 2HD ARG 21 -1.393 -0.122 -9.222
156 HD3 ARG 21 3HD ARG 21 -1.511 1.419 -8.369
157 HE ARG 21 HE ARG 21 0.622 2.111 -9.524
158 HH11 ARG 21 1HH1 ARG 21 -1.546 -0.086 -11.282
159 HH12 ARG 21 2HH1 ARG 21 -0.553 0.102 -12.716
160 HH21 ARG 21 1HH2 ARG 21 1.827 2.054 -11.376
161 HH22 ARG 21 2HH2 ARG 21 1.108 1.288 -12.802
162 H CYS 22 H CYS 22 0.243 0.333 -4.254
163 HA CYS 22 HA CYS 22 1.027 -2.053 -3.046
164 HB2 CYS 22 2HB CYS 22 -1.764 -1.070 -3.711
165 HB3 CYS 22 3HB CYS 22 -1.373 -2.238 -2.508
166 H GLY 23 H GLY 23 1.040 -4.162 -3.594
167 HA2 GLY 23 2HA GLY 23 0.575 -6.147 -4.779
168 HA3 GLY 23 3HA GLY 23 -0.338 -5.237 -5.980
169 H THR 24 H THR 24 2.230 -3.371 -5.997
170 HA THR 24 HA THR 24 4.288 -5.093 -7.228
171 HB THR 24 HB THR 24 4.629 -3.200 -8.974
172 HG1 THR 24 HG1 THR 24 2.993 -1.932 -9.418
173 HG21 THR 24 1HG2 THR 24 2.211 -4.998 -9.222
174 HG22 THR 24 2HG2 THR 24 3.062 -4.171 -10.544
175 HG23 THR 24 3HG2 THR 24 3.889 -5.426 -9.603
176 H CYS 25 H CYS 25 4.161 -3.889 -4.589
177 HA CYS 25 HA CYS 25 5.984 -1.530 -4.735
178 HB2 CYS 25 2HB CYS 25 5.211 -0.861 -2.684
179 HB3 CYS 25 3HB CYS 25 3.773 -1.571 -3.361
180 H ARG 26 H ARG 26 7.017 -2.044 -2.026
181 HA ARG 26 HA ARG 26 9.257 -3.801 -2.697
182 HB2 ARG 26 2HB ARG 26 9.449 -1.783 -1.230
183 HB3 ARG 26 3HB ARG 26 8.497 -2.624 0.008
184 HG2 ARG 26 2HG ARG 26 10.245 -4.393 0.123
185 HG3 ARG 26 3HG ARG 26 11.128 -3.591 -1.191
186 HD2 ARG 26 2HD ARG 26 11.295 -1.548 0.327
187 HD3 ARG 26 3HD ARG 26 10.630 -2.544 1.622
188 HE ARG 26 HE ARG 26 12.584 -3.940 1.585
189 HH11 ARG 26 1HH1 ARG 26 13.088 -1.177 -0.571
190 HH12 ARG 26 2HH1 ARG 26 14.624 -1.830 -1.103
191 HH21 ARG 26 1HH2 ARG 26 14.487 -4.520 1.071
192 HH22 ARG 26 2HH2 ARG 26 15.517 -3.582 -0.012
193 H GLN 27 H GLN 27 6.142 -4.252 -1.074
194 HA GLN 27 HA GLN 27 6.656 -7.142 -1.215
195 HB2 GLN 27 2HB GLN 27 5.915 -5.922 1.465
196 HB3 GLN 27 3HB GLN 27 5.805 -7.634 1.058
197 HG2 GLN 27 2HG GLN 27 8.266 -7.658 0.554
198 HG3 GLN 27 3HG GLN 27 8.372 -5.991 1.131
199 HE21 GLN 27 1HE2 GLN 27 7.516 -9.335 2.201
200 HE22 GLN 27 2HE2 GLN 27 7.981 -9.034 3.873
201 H PHE 28 H PHE 28 4.034 -4.948 0.072
202 HA PHE 28 HA PHE 28 1.828 -5.376 0.323
203 HB2 PHE 28 2HB PHE 28 1.728 -4.779 -1.990
204 HB3 PHE 28 3HB PHE 28 2.080 -6.410 -2.509
205 HD1 PHE 28 HD1 PHE 28 -0.542 -4.300 -0.862
206 HD2 PHE 28 HD2 PHE 28 0.363 -8.068 -2.756
207 HE1 PHE 28 HE1 PHE 28 -2.951 -4.828 -0.974
208 HE2 PHE 28 HE2 PHE 28 -2.054 -8.601 -2.841
209 HZ PHE 28 HZ PHE 28 -3.720 -6.978 -1.943
210 H ARG 29 H ARG 29 0.030 -7.107 0.570
211 HA ARG 29 HA ARG 29 1.203 -9.812 0.931
212 HB2 ARG 29 2HB ARG 29 1.465 -8.632 3.065
213 HB3 ARG 29 3HB ARG 29 -0.266 -8.342 3.128
214 HG2 ARG 29 2HG ARG 29 0.329 -10.211 4.542
215 HG3 ARG 29 3HG ARG 29 -0.696 -10.766 3.219
216 HD2 ARG 29 2HD ARG 29 1.366 -11.565 2.010
217 HD3 ARG 29 3HD ARG 29 2.339 -11.037 3.389
218 HE ARG 29 HE ARG 29 0.246 -12.803 4.276
219 HH11 ARG 29 1HH1 ARG 29 3.467 -13.043 2.809
220 HH12 ARG 29 2HH1 ARG 29 3.426 -14.779 3.018
221 HH21 ARG 29 1HH2 ARG 29 0.391 -14.918 4.540
222 HH22 ARG 29 2HH2 ARG 29 1.847 -15.778 4.047
223 HA PRO 30 HA PRO 30 -2.673 -10.404 -1.246
224 HB2 PRO 30 2HB PRO 30 -1.429 -13.146 -1.497
225 HB3 PRO 30 3HB PRO 30 -2.361 -12.222 -2.704
226 HG2 PRO 30 2HG PRO 30 0.334 -12.265 -2.837
227 HG3 PRO 30 3HG PRO 30 -0.528 -10.705 -3.054
228 HD2 PRO 30 2HD PRO 30 0.804 -11.784 -0.551
229 HD3 PRO 30 3HD PRO 30 0.927 -10.153 -1.280
230 HA PRO 31 HA PRO 31 -4.512 -11.540 -1.934
231 HB2 PRO 31 2HB PRO 31 -7.168 -11.532 -1.457
232 HB3 PRO 31 3HB PRO 31 -6.220 -13.044 -1.610
233 HG2 PRO 31 2HG PRO 31 -7.064 -11.630 0.920
234 HG3 PRO 31 3HG PRO 31 -7.220 -13.372 0.530
235 HD2 PRO 31 2HD PRO 31 -5.143 -12.341 2.014
236 HD3 PRO 31 3HD PRO 31 -4.938 -13.752 0.942
237 H SER 32 H SER 32 -5.525 -9.930 1.143
238 HA SER 32 HA SER 32 -5.752 -7.318 -0.295
239 HB2 SER 32 2HB SER 32 -7.857 -8.769 1.338
240 HB3 SER 32 3HB SER 32 -7.936 -7.028 1.024
241 HG SER 32 HG SER 32 -8.270 -7.299 -1.010
242 H SER 33 H SER 33 -3.653 -8.214 1.531
243 HA SER 33 HA SER 33 -3.970 -6.236 3.759
244 HB2 SER 33 2HB SER 33 -2.509 -8.892 3.759
245 HB3 SER 33 3HB SER 33 -2.453 -7.708 5.063
246 HG SER 33 HG SER 33 -4.842 -8.957 4.126
247 H CYS 34 H CYS 34 -1.604 -5.812 4.668
248 HA CYS 34 HA CYS 34 0.391 -5.592 2.476
249 HB2 CYS 34 2HB CYS 34 -0.762 -3.458 2.570
250 HB3 CYS 34 3HB CYS 34 -0.554 -3.391 4.320
251 H ILE 35 H ILE 35 2.493 -4.805 3.558
252 HA ILE 35 HA ILE 35 3.018 -6.421 6.047
253 HB ILE 35 HB ILE 35 4.959 -5.679 3.831
254 HG12 ILE 35 2HG1 ILE 35 3.541 -7.552 3.153
255 HG13 ILE 35 3HG1 ILE 35 5.186 -8.070 3.436
256 HG21 ILE 35 1HG2 ILE 35 5.399 -6.960 6.549
257 HG22 ILE 35 2HG2 ILE 35 6.511 -7.232 5.202
258 HG23 ILE 35 3HG2 ILE 35 6.255 -5.592 5.806
259 HD11 ILE 35 1HD1 ILE 35 4.493 -8.956 5.704
260 HD12 ILE 35 2HD1 ILE 35 2.810 -8.561 5.273
261 HD13 ILE 35 3HD1 ILE 35 3.734 -9.746 4.328
262 H THR 36 H THR 36 3.235 -3.265 4.484
263 HA THR 36 HA THR 36 4.522 -2.094 6.896
264 HB THR 36 HB THR 36 3.940 -1.037 4.135
265 HG1 THR 36 HG1 THR 36 5.963 -1.498 3.955
266 HG21 THR 36 1HG2 THR 36 5.121 1.022 4.814
267 HG22 THR 36 2HG2 THR 36 3.554 0.876 5.609
268 HG23 THR 36 3HG2 THR 36 5.042 0.496 6.516
269 H VAL 37 H VAL 37 1.311 -2.306 5.334
270 HA VAL 37 HA VAL 37 0.286 -0.849 7.742
271 HB VAL 37 HB VAL 37 -1.511 0.083 6.613
272 HG11 VAL 37 1HG1 VAL 37 0.951 0.505 4.874
273 HG12 VAL 37 2HG1 VAL 37 -0.465 1.545 5.002
274 HG13 VAL 37 3HG1 VAL 37 0.605 1.324 6.417
275 HG21 VAL 37 1HG2 VAL 37 -2.029 -0.082 4.291
276 HG22 VAL 37 2HG2 VAL 37 -0.645 -1.138 3.982
277 HG23 VAL 37 3HG2 VAL 37 -2.032 -1.713 4.957
278 H GLU 38 H GLU 38 -1.719 -1.339 8.570
279 HA GLU 38 HA GLU 38 -2.505 -4.191 8.515
280 HB2 GLU 38 2HB GLU 38 -2.222 -2.880 10.606
281 HB3 GLU 38 3HB GLU 38 -3.484 -1.773 10.072
282 HG2 GLU 38 2HG GLU 38 -5.144 -3.610 10.170
283 HG3 GLU 38 3HG GLU 38 -3.869 -4.753 10.596
284 H SER 39 H SER 39 -4.592 -4.924 7.814
285 HA SER 39 HA SER 39 -5.918 -3.412 5.770
286 HB2 SER 39 2HB SER 39 -7.620 -5.270 5.873
287 HB3 SER 39 3HB SER 39 -5.951 -5.789 5.610
288 HG SER 39 HG SER 39 -7.104 -7.041 7.181
289 HA PRO 40 HA PRO 40 -8.388 -3.382 4.929
290 HB2 PRO 40 2HB PRO 40 -9.629 -0.654 4.981
291 HB3 PRO 40 3HB PRO 40 -10.259 -2.178 4.286
292 HG2 PRO 40 2HG PRO 40 -11.240 -1.229 6.631
293 HG3 PRO 40 3HG PRO 40 -10.892 -2.983 6.450
294 HD2 PRO 40 2HD PRO 40 -9.127 -0.850 7.704
295 HD3 PRO 40 3HD PRO 40 -9.608 -2.439 8.368
296 H ILE 41 H ILE 41 -7.462 -2.772 3.040
297 HA ILE 41 HA ILE 41 -5.946 -0.293 2.699
298 HB ILE 41 HB ILE 41 -4.256 -1.509 3.736
299 HG12 ILE 41 2HG1 ILE 41 -3.793 -0.410 1.395
300 HG13 ILE 41 3HG1 ILE 41 -2.546 -1.250 2.284
301 HG21 ILE 41 1HG2 ILE 41 -3.437 -3.742 3.107
302 HG22 ILE 41 2HG2 ILE 41 -5.080 -3.789 3.741
303 HG23 ILE 41 3HG2 ILE 41 -4.815 -3.937 1.998
304 HD11 ILE 41 1HD1 ILE 41 -2.536 -1.737 -0.148
305 HD12 ILE 41 2HD1 ILE 41 -2.633 -3.177 0.871
306 HD13 ILE 41 3HD1 ILE 41 -4.086 -2.583 0.039
307 H SER 42 H SER 42 -5.971 0.372 0.619
308 HA SER 42 HA SER 42 -7.692 -1.049 -1.259
309 HB2 SER 42 2HB SER 42 -7.547 1.483 -0.976
310 HB3 SER 42 3HB SER 42 -5.994 1.403 -1.826
311 HG SER 42 HG SER 42 -7.486 1.746 -3.374
312 H GLU 43 H GLU 43 -7.071 -2.409 -2.880
313 HA GLU 43 HA GLU 43 -4.379 -3.409 -2.693
314 HB2 GLU 43 2HB GLU 43 -5.160 -5.172 -4.210
315 HB3 GLU 43 3HB GLU 43 -6.283 -4.920 -2.888
316 HG2 GLU 43 2HG GLU 43 -6.787 -3.496 -5.521
317 HG3 GLU 43 3HG GLU 43 -7.095 -5.224 -5.394
318 H ASN 44 H ASN 44 -5.178 -0.822 -4.370
319 HA ASN 44 HA ASN 44 -2.773 -1.058 -6.092
320 HB2 ASN 44 2HB ASN 44 -3.838 0.366 -7.763
321 HB3 ASN 44 3HB ASN 44 -4.792 -1.088 -7.521
322 HD21 ASN 44 1HD2 ASN 44 -5.881 1.184 -8.737
323 HD22 ASN 44 2HD2 ASN 44 -7.160 1.752 -7.648
324 H GLY 45 H GLY 45 -3.789 0.237 -3.287
325 HA2 GLY 45 2HA GLY 45 -4.213 2.908 -3.518
326 HA3 GLY 45 3HA GLY 45 -3.585 2.132 -2.081
327 H TRP 46 H TRP 46 -1.026 1.511 -3.015
328 HA TRP 46 HA TRP 46 1.108 2.257 -3.207
329 HB2 TRP 46 2HB TRP 46 0.708 3.458 -5.262
330 HB3 TRP 46 3HB TRP 46 -0.131 4.733 -4.410
331 HD1 TRP 46 HD1 TRP 46 3.395 3.252 -4.427
332 HE1 TRP 46 HE1 TRP 46 5.065 5.057 -3.776
333 HE3 TRP 46 HE3 TRP 46 0.159 7.181 -3.927
334 HZ2 TRP 46 HZ2 TRP 46 5.065 7.941 -3.465
335 HZ3 TRP 46 HZ3 TRP 46 1.031 9.471 -3.493
336 HH2 TRP 46 HH2 TRP 46 3.475 9.859 -3.255
337 H CYS 47 H CYS 47 2.429 2.763 -1.557
338 HA CYS 47 HA CYS 47 1.789 5.220 -0.016
339 HB2 CYS 47 2HB CYS 47 2.351 4.275 1.993
340 HB3 CYS 47 3HB CYS 47 1.459 2.952 1.226
341 H ARG 48 H ARG 48 3.448 6.322 0.856
342 HA ARG 48 HA ARG 48 5.834 6.484 -0.757
343 HB2 ARG 48 2HB ARG 48 4.761 8.508 -0.025
344 HB3 ARG 48 3HB ARG 48 4.604 7.916 1.627
345 HG2 ARG 48 2HG ARG 48 6.987 8.185 2.020
346 HG3 ARG 48 3HG ARG 48 7.203 8.852 0.372
347 HD2 ARG 48 2HD ARG 48 5.653 10.684 0.903
348 HD3 ARG 48 3HD ARG 48 5.286 9.943 2.476
349 HE ARG 48 HE ARG 48 8.116 10.588 2.081
350 HH11 ARG 48 1HH1 ARG 48 5.079 11.955 3.206
351 HH12 ARG 48 2HH1 ARG 48 5.899 13.074 4.277
352 HH21 ARG 48 1HH2 ARG 48 9.058 12.002 3.359
353 HH22 ARG 48 2HH2 ARG 48 8.111 13.269 4.150
354 H LEU 49 H LEU 49 5.160 4.650 2.087
355 HA LEU 49 HA LEU 49 7.955 4.711 2.963
356 HB2 LEU 49 2HB LEU 49 6.172 4.774 4.587
357 HB3 LEU 49 3HB LEU 49 5.588 3.199 4.058
358 HG LEU 49 HG LEU 49 7.583 2.097 4.902
359 HD11 LEU 49 1HD1 LEU 49 9.370 3.719 4.451
360 HD12 LEU 49 2HD1 LEU 49 8.639 4.881 5.583
361 HD13 LEU 49 3HD1 LEU 49 9.336 3.357 6.173
362 HD21 LEU 49 1HD2 LEU 49 5.742 2.782 6.507
363 HD22 LEU 49 2HD2 LEU 49 7.322 2.512 7.261
364 HD23 LEU 49 3HD2 LEU 49 6.742 4.165 6.979
365 H TYR 50 H TYR 50 5.819 2.301 1.391
366 HA TYR 50 HA TYR 50 8.260 0.638 0.865
367 HB2 TYR 50 2HB TYR 50 5.618 0.074 1.903
368 HB3 TYR 50 3HB TYR 50 5.915 -0.865 0.448
369 HD1 TYR 50 HD1 TYR 50 8.595 0.078 2.936
370 HD2 TYR 50 HD2 TYR 50 5.870 -2.965 1.544
371 HE1 TYR 50 HE1 TYR 50 9.840 -1.616 4.231
372 HE2 TYR 50 HE2 TYR 50 7.093 -4.652 2.918
373 HH TYR 50 HH TYR 50 8.931 -5.084 4.145
374 H ALA 51 H ALA 51 6.176 2.687 -0.842
375 HA ALA 51 HA ALA 51 7.846 1.865 -3.152
376 HB1 ALA 51 1HB ALA 51 5.743 1.012 -3.813
377 HB2 ALA 51 2HB ALA 51 4.884 2.426 -3.182
378 HB3 ALA 51 3HB ALA 51 5.902 2.566 -4.647
379 H GLY 52 H GLY 52 9.054 3.453 -1.678
380 HA2 GLY 52 2HA GLY 52 8.577 6.299 -2.019
381 HA3 GLY 52 3HA GLY 52 10.121 5.512 -1.639
382 H LYS 53 H LYS 53 9.785 3.772 -4.052
383 HA LYS 53 HA LYS 53 10.978 5.262 -6.208
384 HB2 LYS 53 2HB LYS 53 11.454 2.963 -5.827
385 HB3 LYS 53 3HB LYS 53 9.759 2.493 -5.881
386 HG2 LYS 53 2HG LYS 53 9.595 2.622 -8.149
387 HG3 LYS 53 3HG LYS 53 10.905 3.809 -8.329
388 HD2 LYS 53 2HD LYS 53 11.294 0.871 -7.618
389 HD3 LYS 53 3HD LYS 53 11.473 1.572 -9.235
390 HE2 LYS 53 2HE LYS 53 13.329 2.999 -8.391
391 HE3 LYS 53 3HE LYS 53 13.136 2.280 -6.785
392 HZ1 LYS 53 1HZ LYS 53 13.574 0.093 -7.812
393 HZ2 LYS 53 2HZ LYS 53 13.903 0.827 -9.244
394 HZ3 LYS 53 3HZ LYS 53 14.865 1.107 -7.948
395 H ALA 54 H ALA 54 9.742 6.991 -6.611
396 HA ALA 54 HA ALA 54 7.342 6.734 -8.290
397 HB1 ALA 54 1HB ALA 54 7.309 8.235 -5.620
398 HB2 ALA 54 2HB ALA 54 5.982 8.181 -6.797
399 HB3 ALA 54 3HB ALA 54 6.472 6.711 -5.937
Start of MODEL 17
1 H1 VAL 1 1H VAL 1 14.381 -8.954 16.068
2 H2 VAL 1 2H VAL 1 13.011 -9.688 16.574
3 H3 VAL 1 3H VAL 1 14.015 -9.001 17.670
4 HA VAL 1 HA VAL 1 12.031 -7.648 17.262
5 HB VAL 1 HB VAL 1 13.132 -5.502 16.726
6 HG11 VAL 1 1HG1 VAL 1 14.732 -7.193 18.689
7 HG12 VAL 1 2HG1 VAL 1 14.543 -5.429 18.679
8 HG13 VAL 1 3HG1 VAL 1 13.146 -6.455 19.016
9 HG21 VAL 1 1HG2 VAL 1 14.831 -6.268 15.070
10 HG22 VAL 1 2HG2 VAL 1 15.534 -5.350 16.404
11 HG23 VAL 1 3HG2 VAL 1 15.705 -7.108 16.374
12 H THR 2 H THR 2 10.897 -6.218 15.838
13 HA THR 2 HA THR 2 11.065 -6.975 12.941
14 HB THR 2 HB THR 2 8.515 -6.561 14.526
15 HG1 THR 2 HG1 THR 2 9.575 -8.490 15.095
16 HG21 THR 2 1HG2 THR 2 8.152 -6.089 12.160
17 HG22 THR 2 2HG2 THR 2 9.088 -7.533 11.687
18 HG23 THR 2 3HG2 THR 2 7.526 -7.706 12.503
19 H LYS 3 H LYS 3 10.716 -5.360 11.441
20 HA LYS 3 HA LYS 3 9.951 -2.639 12.388
21 HB2 LYS 3 2HB LYS 3 12.445 -2.951 12.500
22 HB3 LYS 3 3HB LYS 3 12.463 -3.240 10.767
23 HG2 LYS 3 2HG LYS 3 13.152 -0.963 11.334
24 HG3 LYS 3 3HG LYS 3 11.676 -0.932 10.357
25 HD2 LYS 3 2HD LYS 3 10.316 -0.389 12.231
26 HD3 LYS 3 3HD LYS 3 11.599 -0.802 13.388
27 HE2 LYS 3 2HE LYS 3 12.940 1.121 12.516
28 HE3 LYS 3 3HE LYS 3 11.601 1.547 11.438
29 HZ1 LYS 3 1HZ LYS 3 11.533 2.820 13.526
30 HZ2 LYS 3 2HZ LYS 3 10.208 1.849 13.400
31 HZ3 LYS 3 3HZ LYS 3 11.444 1.429 14.400
32 H LYS 4 H LYS 4 8.401 -1.814 11.144
33 HA LYS 4 HA LYS 4 8.961 -1.297 8.380
34 HB2 LYS 4 2HB LYS 4 6.731 -2.012 7.461
35 HB3 LYS 4 3HB LYS 4 7.895 -3.276 7.709
36 HG2 LYS 4 2HG LYS 4 5.989 -2.839 9.985
37 HG3 LYS 4 3HG LYS 4 5.245 -3.319 8.469
38 HD2 LYS 4 2HD LYS 4 7.480 -4.869 9.829
39 HD3 LYS 4 3HD LYS 4 5.760 -5.241 9.967
40 HE2 LYS 4 2HE LYS 4 5.602 -5.617 7.529
41 HE3 LYS 4 3HE LYS 4 7.288 -5.177 7.326
42 HZ1 LYS 4 1HZ LYS 4 6.367 -7.520 8.895
43 HZ2 LYS 4 2HZ LYS 4 7.032 -7.576 7.375
44 HZ3 LYS 4 3HZ LYS 4 7.938 -7.056 8.637
45 H ALA 5 H ALA 5 7.678 0.433 7.494
46 HA ALA 5 HA ALA 5 6.876 2.355 9.457
47 HB1 ALA 5 1HB ALA 5 8.015 2.892 7.307
48 HB2 ALA 5 2HB ALA 5 6.537 2.432 6.431
49 HB3 ALA 5 3HB ALA 5 6.525 3.819 7.533
50 H SER 6 H SER 6 4.853 3.669 9.294
51 HA SER 6 HA SER 6 2.390 2.018 8.862
52 HB2 SER 6 2HB SER 6 2.726 4.516 10.541
53 HB3 SER 6 3HB SER 6 1.257 3.550 10.374
54 HG SER 6 HG SER 6 2.781 1.765 11.174
55 H HIS 7 H HIS 7 0.515 3.089 8.143
56 HA HIS 7 HA HIS 7 0.441 4.020 5.640
57 HB2 HIS 7 2HB HIS 7 -1.856 4.647 6.114
58 HB3 HIS 7 3HB HIS 7 -1.450 3.184 6.970
59 HD2 HIS 7 HD2 HIS 7 -3.849 5.281 7.744
60 HE1 HIS 7 HE1 HIS 7 -1.575 5.871 11.306
61 HE2 HIS 7 HE2 HIS 7 -3.868 6.186 10.222
62 H LYS 8 H LYS 8 0.625 6.308 8.400
63 HA LYS 8 HA LYS 8 0.348 8.637 6.633
64 HB2 LYS 8 2HB LYS 8 0.913 8.346 9.597
65 HB3 LYS 8 3HB LYS 8 0.986 9.910 8.798
66 HG2 LYS 8 2HG LYS 8 -1.464 8.105 8.735
67 HG3 LYS 8 3HG LYS 8 -1.208 9.345 9.954
68 HD2 LYS 8 2HD LYS 8 -1.370 9.925 6.963
69 HD3 LYS 8 3HD LYS 8 -2.738 9.994 8.067
70 HE2 LYS 8 2HE LYS 8 -1.734 11.781 9.361
71 HE3 LYS 8 3HE LYS 8 -0.223 11.677 8.444
72 HZ1 LYS 8 1HZ LYS 8 -1.290 12.485 6.520
73 HZ2 LYS 8 2HZ LYS 8 -2.795 12.329 7.130
74 HZ3 LYS 8 3HZ LYS 8 -1.794 13.484 7.735
75 H ASP 9 H ASP 9 3.177 7.333 8.460
76 HA ASP 9 HA ASP 9 5.048 9.142 7.199
77 HB2 ASP 9 2HB ASP 9 5.506 6.346 8.300
78 HB3 ASP 9 3HB ASP 9 6.776 7.471 7.832
79 H ALA 10 H ALA 10 3.583 6.120 6.063
80 HA ALA 10 HA ALA 10 5.225 5.962 3.669
81 HB1 ALA 10 1HB ALA 10 2.653 4.522 4.412
82 HB2 ALA 10 2HB ALA 10 3.786 4.078 3.118
83 HB3 ALA 10 3HB ALA 10 4.301 3.977 4.806
84 H GLY 11 H GLY 11 2.620 8.002 4.472
85 HA2 GLY 11 2HA GLY 11 1.515 9.593 3.263
86 HA3 GLY 11 3HA GLY 11 2.559 9.217 1.894
87 H TYR 12 H TYR 12 0.094 7.086 3.498
88 HA TYR 12 HA TYR 12 -0.911 6.345 0.909
89 HB2 TYR 12 2HB TYR 12 -1.958 4.658 1.863
90 HB3 TYR 12 3HB TYR 12 -0.815 4.951 3.137
91 HD1 TYR 12 HD1 TYR 12 -1.992 7.194 4.670
92 HD2 TYR 12 HD2 TYR 12 -3.936 3.867 2.723
93 HE1 TYR 12 HE1 TYR 12 -3.976 7.497 6.143
94 HE2 TYR 12 HE2 TYR 12 -5.929 4.189 4.190
95 HH TYR 12 HH TYR 12 -6.933 5.535 5.785
96 H GLN 13 H GLN 13 -2.881 6.556 -0.088
97 HA GLN 13 HA GLN 13 -5.009 8.272 0.908
98 HB2 GLN 13 2HB GLN 13 -4.896 9.818 -1.091
99 HB3 GLN 13 3HB GLN 13 -3.674 10.094 0.141
100 HG2 GLN 13 2HG GLN 13 -1.927 9.264 -1.197
101 HG3 GLN 13 3HG GLN 13 -3.019 8.362 -2.245
102 HE21 GLN 13 1HE2 GLN 13 -2.876 9.253 -4.276
103 HE22 GLN 13 2HE2 GLN 13 -3.059 10.999 -4.583
104 H GLU 14 H GLU 14 -6.767 8.481 -0.934
105 HA GLU 14 HA GLU 14 -7.326 5.781 -1.768
106 HB2 GLU 14 2HB GLU 14 -8.885 8.348 -2.221
107 HB3 GLU 14 3HB GLU 14 -9.466 6.730 -2.606
108 HG2 GLU 14 2HG GLU 14 -9.121 6.119 -0.162
109 HG3 GLU 14 3HG GLU 14 -8.889 7.846 0.149
110 H SER 15 H SER 15 -5.153 7.480 -3.351
111 HA SER 15 HA SER 15 -5.730 6.160 -5.893
112 HB2 SER 15 2HB SER 15 -5.045 9.123 -5.879
113 HB3 SER 15 3HB SER 15 -5.214 8.087 -7.305
114 HG SER 15 HG SER 15 -7.192 8.890 -5.447
115 HA PRO 16 HA PRO 16 -1.511 5.230 -5.345
116 HB2 PRO 16 2HB PRO 16 -1.093 4.902 -8.282
117 HB3 PRO 16 3HB PRO 16 -0.977 3.681 -6.986
118 HG2 PRO 16 2HG PRO 16 -3.079 3.715 -8.722
119 HG3 PRO 16 3HG PRO 16 -3.337 3.372 -6.980
120 HD2 PRO 16 2HD PRO 16 -3.660 6.014 -8.397
121 HD3 PRO 16 3HD PRO 16 -4.814 5.151 -7.342
122 H ASN 17 H ASN 17 0.817 5.662 -5.857
123 HA ASN 17 HA ASN 17 1.264 8.361 -7.069
124 HB2 ASN 17 2HB ASN 17 1.465 8.389 -4.611
125 HB3 ASN 17 3HB ASN 17 2.696 7.116 -4.706
126 HD21 ASN 17 1HD2 ASN 17 1.950 10.375 -6.072
127 HD22 ASN 17 2HD2 ASN 17 3.646 10.888 -6.074
128 H GLY 18 H GLY 18 2.133 8.142 -8.998
129 HA2 GLY 18 2HA GLY 18 3.591 7.544 -10.669
130 HA3 GLY 18 3HA GLY 18 4.791 7.453 -9.377
131 H ALA 19 H ALA 19 5.941 5.650 -9.724
132 HA ALA 19 HA ALA 19 4.791 3.220 -10.829
133 HB1 ALA 19 1HB ALA 19 7.586 3.781 -9.755
134 HB2 ALA 19 2HB ALA 19 7.105 2.445 -10.807
135 HB3 ALA 19 3HB ALA 19 7.038 4.108 -11.417
136 H LYS 20 H LYS 20 4.422 4.298 -7.711
137 HA LYS 20 HA LYS 20 4.997 1.694 -6.375
138 HB2 LYS 20 2HB LYS 20 4.105 4.368 -5.207
139 HB3 LYS 20 3HB LYS 20 4.257 2.877 -4.311
140 HG2 LYS 20 2HG LYS 20 6.222 3.966 -3.797
141 HG3 LYS 20 3HG LYS 20 6.701 2.770 -4.985
142 HD2 LYS 20 2HD LYS 20 7.890 4.830 -5.381
143 HD3 LYS 20 3HD LYS 20 6.784 4.545 -6.721
144 HE2 LYS 20 2HE LYS 20 5.169 6.169 -5.661
145 HE3 LYS 20 3HE LYS 20 6.342 6.459 -4.378
146 HZ1 LYS 20 1HZ LYS 20 6.428 8.142 -6.192
147 HZ2 LYS 20 2HZ LYS 20 7.861 7.379 -6.022
148 HZ3 LYS 20 3HZ LYS 20 6.893 6.981 -7.255
149 H ARG 21 H ARG 21 3.465 0.241 -5.916
150 HA ARG 21 HA ARG 21 0.731 0.991 -5.359
151 HB2 ARG 21 2HB ARG 21 0.259 0.997 -7.625
152 HB3 ARG 21 3HB ARG 21 1.414 -0.273 -8.017
153 HG2 ARG 21 2HG ARG 21 -0.029 -1.991 -7.213
154 HG3 ARG 21 3HG ARG 21 -1.109 -0.835 -6.432
155 HD2 ARG 21 2HD ARG 21 -2.325 -1.364 -8.323
156 HD3 ARG 21 3HD ARG 21 -1.490 0.091 -8.855
157 HE ARG 21 HE ARG 21 -0.312 -1.137 -10.392
158 HH11 ARG 21 1HH1 ARG 21 -1.808 -3.452 -8.180
159 HH12 ARG 21 2HH1 ARG 21 -1.306 -4.823 -9.134
160 HH21 ARG 21 1HH2 ARG 21 -0.016 -2.872 -11.696
161 HH22 ARG 21 2HH2 ARG 21 -0.301 -4.490 -11.104
162 H CYS 22 H CYS 22 -0.161 -0.377 -3.890
163 HA CYS 22 HA CYS 22 0.673 -2.739 -2.821
164 HB2 CYS 22 2HB CYS 22 -2.209 -2.178 -3.582
165 HB3 CYS 22 3HB CYS 22 -1.573 -2.788 -2.063
166 H GLY 23 H GLY 23 1.264 -4.666 -3.874
167 HA2 GLY 23 2HA GLY 23 0.683 -6.603 -5.195
168 HA3 GLY 23 3HA GLY 23 -0.254 -5.584 -6.282
169 H THR 24 H THR 24 2.290 -3.673 -5.974
170 HA THR 24 HA THR 24 4.457 -5.325 -7.038
171 HB THR 24 HB THR 24 3.532 -4.346 -9.048
172 HG1 THR 24 HG1 THR 24 5.362 -3.761 -9.892
173 HG21 THR 24 1HG2 THR 24 4.132 -1.608 -7.870
174 HG22 THR 24 2HG2 THR 24 3.743 -1.951 -9.562
175 HG23 THR 24 3HG2 THR 24 2.544 -2.279 -8.303
176 H CYS 25 H CYS 25 4.113 -4.970 -4.575
177 HA CYS 25 HA CYS 25 5.812 -2.758 -3.533
178 HB2 CYS 25 2HB CYS 25 3.736 -1.834 -3.055
179 HB3 CYS 25 3HB CYS 25 2.943 -3.408 -2.937
180 H ARG 26 H ARG 26 6.886 -3.108 -1.687
181 HA ARG 26 HA ARG 26 7.697 -5.837 -1.043
182 HB2 ARG 26 2HB ARG 26 9.152 -3.747 -1.327
183 HB3 ARG 26 3HB ARG 26 8.596 -3.253 0.278
184 HG2 ARG 26 2HG ARG 26 9.640 -5.202 1.288
185 HG3 ARG 26 3HG ARG 26 10.047 -5.858 -0.317
186 HD2 ARG 26 2HD ARG 26 11.453 -3.796 -0.734
187 HD3 ARG 26 3HD ARG 26 11.097 -3.264 0.905
188 HE ARG 26 HE ARG 26 12.687 -4.741 1.734
189 HH11 ARG 26 1HH1 ARG 26 12.171 -5.636 -1.635
190 HH12 ARG 26 2HH1 ARG 26 13.540 -6.722 -1.602
191 HH21 ARG 26 1HH2 ARG 26 14.271 -6.249 1.720
192 HH22 ARG 26 2HH2 ARG 26 14.526 -7.222 0.279
193 H GLN 27 H GLN 27 5.258 -3.839 0.265
194 HA GLN 27 HA GLN 27 5.133 -5.475 2.787
195 HB2 GLN 27 2HB GLN 27 4.192 -2.641 2.285
196 HB3 GLN 27 3HB GLN 27 3.880 -3.551 3.764
197 HG2 GLN 27 2HG GLN 27 6.622 -2.780 2.708
198 HG3 GLN 27 3HG GLN 27 5.738 -1.956 3.993
199 HE21 GLN 27 1HE2 GLN 27 8.286 -3.887 3.626
200 HE22 GLN 27 2HE2 GLN 27 8.212 -4.683 5.180
201 H PHE 28 H PHE 28 3.467 -4.685 -0.174
202 HA PHE 28 HA PHE 28 0.862 -5.511 0.568
203 HB2 PHE 28 2HB PHE 28 1.421 -4.650 -1.659
204 HB3 PHE 28 3HB PHE 28 2.381 -6.089 -1.991
205 HD1 PHE 28 HD1 PHE 28 -1.078 -4.881 -1.238
206 HD2 PHE 28 HD2 PHE 28 1.322 -8.145 -2.710
207 HE1 PHE 28 HE1 PHE 28 -3.135 -6.049 -2.013
208 HE2 PHE 28 HE2 PHE 28 -0.742 -9.328 -3.431
209 HZ PHE 28 HZ PHE 28 -2.959 -8.283 -3.096
210 H ARG 29 H ARG 29 -0.025 -7.358 1.036
211 HA ARG 29 HA ARG 29 1.714 -9.704 1.678
212 HB2 ARG 29 2HB ARG 29 1.465 -8.172 3.538
213 HB3 ARG 29 3HB ARG 29 -0.266 -8.059 3.298
214 HG2 ARG 29 2HG ARG 29 0.090 -9.411 5.211
215 HG3 ARG 29 3HG ARG 29 -0.497 -10.455 3.918
216 HD2 ARG 29 2HD ARG 29 1.971 -10.991 3.453
217 HD3 ARG 29 3HD ARG 29 2.345 -10.166 4.966
218 HE ARG 29 HE ARG 29 0.265 -12.061 5.485
219 HH11 ARG 29 1HH1 ARG 29 3.694 -12.325 4.725
220 HH12 ARG 29 2HH1 ARG 29 3.832 -13.766 5.712
221 HH21 ARG 29 1HH2 ARG 29 0.542 -13.808 6.628
222 HH22 ARG 29 2HH2 ARG 29 2.131 -14.515 6.882
223 HA PRO 30 HA PRO 30 -1.639 -11.081 -1.043
224 HB2 PRO 30 2HB PRO 30 -0.033 -13.643 -0.864
225 HB3 PRO 30 3HB PRO 30 -0.824 -12.919 -2.301
226 HG2 PRO 30 2HG PRO 30 1.820 -12.569 -1.941
227 HG3 PRO 30 3HG PRO 30 0.807 -11.160 -2.401
228 HD2 PRO 30 2HD PRO 30 1.818 -11.937 0.348
229 HD3 PRO 30 3HD PRO 30 1.814 -10.338 -0.450
230 HA PRO 31 HA PRO 31 -3.084 -12.641 -2.093
231 HB2 PRO 31 2HB PRO 31 -5.929 -13.107 -1.337
232 HB3 PRO 31 3HB PRO 31 -4.950 -13.881 -2.618
233 HG2 PRO 31 2HG PRO 31 -5.590 -15.239 -0.361
234 HG3 PRO 31 3HG PRO 31 -3.938 -15.376 -1.060
235 HD2 PRO 31 2HD PRO 31 -4.886 -13.511 1.144
236 HD3 PRO 31 3HD PRO 31 -3.509 -14.656 1.186
237 H SER 32 H SER 32 -4.532 -10.922 0.663
238 HA SER 32 HA SER 32 -4.952 -8.525 -0.994
239 HB2 SER 32 2HB SER 32 -7.353 -8.367 -0.485
240 HB3 SER 32 3HB SER 32 -6.976 -9.773 -1.483
241 HG SER 32 HG SER 32 -8.440 -10.000 0.409
242 H SER 33 H SER 33 -3.146 -8.700 1.096
243 HA SER 33 HA SER 33 -4.348 -6.726 2.996
244 HB2 SER 33 2HB SER 33 -2.363 -8.905 3.722
245 HB3 SER 33 3HB SER 33 -2.974 -7.634 4.792
246 HG SER 33 HG SER 33 -4.362 -9.810 3.611
247 H CYS 34 H CYS 34 -2.763 -5.370 4.039
248 HA CYS 34 HA CYS 34 -0.112 -4.995 2.706
249 HB2 CYS 34 2HB CYS 34 -1.507 -3.095 2.153
250 HB3 CYS 34 3HB CYS 34 -2.069 -2.938 3.815
251 H ILE 35 H ILE 35 1.118 -3.585 4.527
252 HA ILE 35 HA ILE 35 0.517 -4.597 7.254
253 HB ILE 35 HB ILE 35 3.402 -4.475 6.344
254 HG12 ILE 35 2HG1 ILE 35 1.702 -6.995 6.671
255 HG13 ILE 35 3HG1 ILE 35 2.219 -6.336 5.125
256 HG21 ILE 35 1HG2 ILE 35 3.017 -4.183 8.778
257 HG22 ILE 35 2HG2 ILE 35 1.995 -5.628 8.811
258 HG23 ILE 35 3HG2 ILE 35 3.728 -5.758 8.504
259 HD11 ILE 35 1HD1 ILE 35 4.601 -6.658 5.778
260 HD12 ILE 35 2HD1 ILE 35 4.034 -7.533 7.227
261 HD13 ILE 35 3HD1 ILE 35 3.654 -8.145 5.616
262 H THR 36 H THR 36 1.515 -1.974 5.149
263 HA THR 36 HA THR 36 2.050 -0.182 7.439
264 HB THR 36 HB THR 36 2.526 1.533 5.971
265 HG1 THR 36 HG1 THR 36 1.944 0.306 3.587
266 HG21 THR 36 1HG2 THR 36 3.540 -0.922 4.487
267 HG22 THR 36 2HG2 THR 36 4.214 0.720 4.439
268 HG23 THR 36 3HG2 THR 36 4.290 -0.227 5.938
269 H VAL 37 H VAL 37 -0.582 -0.975 5.217
270 HA VAL 37 HA VAL 37 -2.441 0.855 6.690
271 HB VAL 37 HB VAL 37 -2.748 -0.329 3.907
272 HG11 VAL 37 1HG1 VAL 37 -4.330 1.851 5.350
273 HG12 VAL 37 2HG1 VAL 37 -4.506 1.429 3.640
274 HG13 VAL 37 3HG1 VAL 37 -4.941 0.249 4.866
275 HG21 VAL 37 1HG2 VAL 37 -0.916 1.324 3.903
276 HG22 VAL 37 2HG2 VAL 37 -2.319 1.954 3.065
277 HG23 VAL 37 3HG2 VAL 37 -1.964 2.508 4.716
278 H GLU 38 H GLU 38 -4.556 0.084 7.225
279 HA GLU 38 HA GLU 38 -4.636 -2.491 8.423
280 HB2 GLU 38 2HB GLU 38 -5.798 -0.392 9.094
281 HB3 GLU 38 3HB GLU 38 -6.984 -0.661 7.810
282 HG2 GLU 38 2HG GLU 38 -7.501 -2.922 8.855
283 HG3 GLU 38 3HG GLU 38 -6.442 -2.496 10.190
284 H SER 39 H SER 39 -5.697 -4.389 8.008
285 HA SER 39 HA SER 39 -6.234 -5.001 5.213
286 HB2 SER 39 2HB SER 39 -6.318 -7.329 5.965
287 HB3 SER 39 3HB SER 39 -4.882 -6.529 6.600
288 HG SER 39 HG SER 39 -5.941 -6.280 8.597
289 HA PRO 40 HA PRO 40 -7.414 -6.824 4.034
290 HB2 PRO 40 2HB PRO 40 -9.392 -6.874 2.176
291 HB3 PRO 40 3HB PRO 40 -9.389 -7.978 3.582
292 HG2 PRO 40 2HG PRO 40 -10.872 -5.341 3.313
293 HG3 PRO 40 3HG PRO 40 -11.532 -6.935 3.807
294 HD2 PRO 40 2HD PRO 40 -10.757 -5.082 5.644
295 HD3 PRO 40 3HD PRO 40 -10.472 -6.825 5.917
296 H ILE 41 H ILE 41 -6.821 -6.130 1.813
297 HA ILE 41 HA ILE 41 -7.080 -3.198 1.381
298 HB ILE 41 HB ILE 41 -4.792 -4.287 2.332
299 HG12 ILE 41 2HG1 ILE 41 -3.552 -2.365 1.261
300 HG13 ILE 41 3HG1 ILE 41 -5.013 -1.989 0.358
301 HG21 ILE 41 1HG2 ILE 41 -4.293 -4.270 -0.676
302 HG22 ILE 41 2HG2 ILE 41 -3.131 -4.594 0.595
303 HG23 ILE 41 3HG2 ILE 41 -4.457 -5.738 0.308
304 HD11 ILE 41 1HD1 ILE 41 -4.721 -2.059 3.401
305 HD12 ILE 41 2HD1 ILE 41 -4.781 -0.607 2.390
306 HD13 ILE 41 3HD1 ILE 41 -6.217 -1.624 2.542
307 H SER 42 H SER 42 -6.734 -2.405 -0.685
308 HA SER 42 HA SER 42 -7.633 -4.080 -2.954
309 HB2 SER 42 2HB SER 42 -8.365 -1.641 -2.369
310 HB3 SER 42 3HB SER 42 -6.807 -1.165 -3.022
311 HG SER 42 HG SER 42 -8.580 -1.196 -4.548
312 H GLU 43 H GLU 43 -6.162 -4.798 -4.551
313 HA GLU 43 HA GLU 43 -3.334 -3.987 -4.357
314 HB2 GLU 43 2HB GLU 43 -2.852 -5.539 -6.110
315 HB3 GLU 43 3HB GLU 43 -3.685 -6.282 -4.756
316 HG2 GLU 43 2HG GLU 43 -5.802 -6.317 -5.971
317 HG3 GLU 43 3HG GLU 43 -5.065 -5.497 -7.346
318 H ASN 44 H ASN 44 -5.017 -1.866 -4.701
319 HA ASN 44 HA ASN 44 -4.945 -0.929 -7.506
320 HB2 ASN 44 2HB ASN 44 -6.992 -0.643 -6.247
321 HB3 ASN 44 3HB ASN 44 -6.148 0.195 -4.936
322 HD21 ASN 44 1HD2 ASN 44 -5.513 2.467 -5.277
323 HD22 ASN 44 2HD2 ASN 44 -6.372 3.320 -6.548
324 H GLY 45 H GLY 45 -3.385 -0.158 -4.382
325 HA2 GLY 45 2HA GLY 45 -1.230 0.960 -4.283
326 HA3 GLY 45 3HA GLY 45 -1.636 1.855 -5.731
327 H TRP 46 H TRP 46 -1.496 1.973 -2.382
328 HA TRP 46 HA TRP 46 -3.093 4.522 -2.334
329 HB2 TRP 46 2HB TRP 46 -2.235 2.877 0.056
330 HB3 TRP 46 3HB TRP 46 -3.368 4.214 0.016
331 HD1 TRP 46 HD1 TRP 46 -3.481 0.954 0.858
332 HE1 TRP 46 HE1 TRP 46 -5.736 -0.150 0.451
333 HE3 TRP 46 HE3 TRP 46 -5.284 4.104 -2.767
334 HZ2 TRP 46 HZ2 TRP 46 -8.094 0.317 -1.180
335 HZ3 TRP 46 HZ3 TRP 46 -7.529 3.717 -3.749
336 HH2 TRP 46 HH2 TRP 46 -8.947 1.870 -2.929
337 H CYS 47 H CYS 47 -0.072 3.068 -0.985
338 HA CYS 47 HA CYS 47 0.769 5.777 -0.134
339 HB2 CYS 47 2HB CYS 47 1.772 4.812 1.642
340 HB3 CYS 47 3HB CYS 47 0.577 3.566 1.357
341 H ARG 48 H ARG 48 3.182 6.045 -0.040
342 HA ARG 48 HA ARG 48 4.249 5.609 -2.807
343 HB2 ARG 48 2HB ARG 48 5.136 7.872 -2.766
344 HB3 ARG 48 3HB ARG 48 3.381 7.843 -2.629
345 HG2 ARG 48 2HG ARG 48 3.485 8.337 -0.249
346 HG3 ARG 48 3HG ARG 48 5.264 8.292 -0.276
347 HD2 ARG 48 2HD ARG 48 5.344 10.219 -1.770
348 HD3 ARG 48 3HD ARG 48 3.604 10.117 -2.043
349 HE ARG 48 HE ARG 48 3.179 11.263 -0.109
350 HH11 ARG 48 1HH1 ARG 48 6.625 10.445 -0.005
351 HH12 ARG 48 2HH1 ARG 48 6.833 11.282 1.507
352 HH21 ARG 48 1HH2 ARG 48 3.548 12.312 1.760
353 HH22 ARG 48 2HH2 ARG 48 5.132 12.340 2.485
354 H LEU 49 H LEU 49 4.827 4.756 0.292
355 HA LEU 49 HA LEU 49 7.686 4.283 -0.246
356 HB2 LEU 49 2HB LEU 49 6.659 5.894 2.125
357 HB3 LEU 49 3HB LEU 49 8.242 5.130 2.114
358 HG LEU 49 HG LEU 49 7.378 7.287 0.161
359 HD11 LEU 49 1HD1 LEU 49 8.864 8.743 1.450
360 HD12 LEU 49 2HD1 LEU 49 7.555 8.124 2.470
361 HD13 LEU 49 3HD1 LEU 49 9.189 7.428 2.601
362 HD21 LEU 49 1HD2 LEU 49 9.145 5.800 -0.757
363 HD22 LEU 49 2HD2 LEU 49 9.784 7.387 -0.362
364 HD23 LEU 49 3HD2 LEU 49 10.103 6.020 0.726
365 H TYR 50 H TYR 50 6.377 2.241 -0.568
366 HA TYR 50 HA TYR 50 5.601 0.803 1.779
367 HB2 TYR 50 2HB TYR 50 5.749 -1.213 0.403
368 HB3 TYR 50 3HB TYR 50 4.719 0.052 -0.230
369 HD1 TYR 50 HD1 TYR 50 8.224 -1.290 -0.605
370 HD2 TYR 50 HD2 TYR 50 4.836 0.581 -2.498
371 HE1 TYR 50 HE1 TYR 50 9.262 -1.670 -2.832
372 HE2 TYR 50 HE2 TYR 50 5.908 0.229 -4.732
373 HH TYR 50 HH TYR 50 7.759 -0.526 -5.852
374 H ALA 51 H ALA 51 6.634 -0.454 3.121
375 HA ALA 51 HA ALA 51 9.272 0.528 3.581
376 HB1 ALA 51 1HB ALA 51 8.890 -0.177 5.880
377 HB2 ALA 51 2HB ALA 51 7.432 0.595 5.229
378 HB3 ALA 51 3HB ALA 51 7.515 -1.179 5.379
379 H GLY 52 H GLY 52 10.930 -0.745 4.840
380 HA2 GLY 52 2HA GLY 52 11.919 -3.039 3.405
381 HA3 GLY 52 3HA GLY 52 12.554 -2.387 4.913
382 H LYS 53 H LYS 53 12.398 -5.131 4.300
383 HA LYS 53 HA LYS 53 10.409 -6.145 6.287
384 HB2 LYS 53 2HB LYS 53 10.300 -8.258 4.975
385 HB3 LYS 53 3HB LYS 53 9.512 -6.839 4.296
386 HG2 LYS 53 2HG LYS 53 11.397 -6.520 2.717
387 HG3 LYS 53 3HG LYS 53 12.179 -7.972 3.368
388 HD2 LYS 53 2HD LYS 53 10.196 -9.314 2.685
389 HD3 LYS 53 3HD LYS 53 9.425 -7.846 2.062
390 HE2 LYS 53 2HE LYS 53 11.196 -7.556 0.401
391 HE3 LYS 53 3HE LYS 53 12.041 -8.994 0.997
392 HZ1 LYS 53 1HZ LYS 53 9.238 -9.132 0.045
393 HZ2 LYS 53 2HZ LYS 53 10.470 -9.261 -1.014
394 HZ3 LYS 53 3HZ LYS 53 10.311 -10.360 0.214
395 H ALA 54 H ALA 54 11.183 -6.788 7.982
396 HA ALA 54 HA ALA 54 13.350 -8.660 8.411
397 HB1 ALA 54 1HB ALA 54 14.677 -6.582 8.085
398 HB2 ALA 54 2HB ALA 54 13.673 -5.738 9.280
399 HB3 ALA 54 3HB ALA 54 14.718 -7.079 9.787
Start of MODEL 18
1 H1 VAL 1 1H VAL 1 4.146 -10.720 16.118
2 H2 VAL 1 2H VAL 1 2.837 -10.020 16.796
3 H3 VAL 1 3H VAL 1 3.351 -11.479 17.355
4 HA VAL 1 HA VAL 1 4.000 -9.873 18.924
5 HB VAL 1 HB VAL 1 6.508 -10.511 17.345
6 HG11 VAL 1 1HG1 VAL 1 6.854 -8.932 19.214
7 HG12 VAL 1 2HG1 VAL 1 5.996 -10.034 20.316
8 HG13 VAL 1 3HG1 VAL 1 7.546 -10.508 19.596
9 HG21 VAL 1 1HG2 VAL 1 5.274 -12.617 17.670
10 HG22 VAL 1 2HG2 VAL 1 6.655 -12.546 18.760
11 HG23 VAL 1 3HG2 VAL 1 5.029 -12.224 19.393
12 H THR 2 H THR 2 5.484 -8.912 15.773
13 HA THR 2 HA THR 2 5.906 -6.187 16.772
14 HB THR 2 HB THR 2 6.481 -7.499 14.098
15 HG1 THR 2 HG1 THR 2 8.407 -7.801 14.911
16 HG21 THR 2 1HG2 THR 2 7.422 -4.803 15.184
17 HG22 THR 2 2HG2 THR 2 8.055 -5.618 13.743
18 HG23 THR 2 3HG2 THR 2 6.386 -5.049 13.764
19 H LYS 3 H LYS 3 4.962 -4.327 16.099
20 HA LYS 3 HA LYS 3 2.267 -4.551 14.870
21 HB2 LYS 3 2HB LYS 3 2.782 -3.481 17.158
22 HB3 LYS 3 3HB LYS 3 3.576 -2.185 16.280
23 HG2 LYS 3 2HG LYS 3 1.412 -1.409 16.776
24 HG3 LYS 3 3HG LYS 3 1.354 -1.790 15.057
25 HD2 LYS 3 2HD LYS 3 0.221 -3.905 15.517
26 HD3 LYS 3 3HD LYS 3 0.430 -3.713 17.256
27 HE2 LYS 3 2HE LYS 3 -1.207 -1.848 15.482
28 HE3 LYS 3 3HE LYS 3 -1.866 -3.207 16.398
29 HZ1 LYS 3 1HZ LYS 3 -0.951 -2.138 18.420
30 HZ2 LYS 3 2HZ LYS 3 -0.616 -0.773 17.538
31 HZ3 LYS 3 3HZ LYS 3 -2.160 -1.307 17.723
32 H LYS 4 H LYS 4 1.819 -3.865 12.826
33 HA LYS 4 HA LYS 4 3.744 -2.039 11.479
34 HB2 LYS 4 2HB LYS 4 2.833 -2.649 9.387
35 HB3 LYS 4 3HB LYS 4 3.379 -4.045 10.302
36 HG2 LYS 4 2HG LYS 4 1.031 -4.627 10.844
37 HG3 LYS 4 3HG LYS 4 0.477 -3.172 10.009
38 HD2 LYS 4 2HD LYS 4 0.193 -5.037 8.506
39 HD3 LYS 4 3HD LYS 4 1.486 -4.018 7.897
40 HE2 LYS 4 2HE LYS 4 2.133 -6.269 7.569
41 HE3 LYS 4 3HE LYS 4 3.183 -5.602 8.821
42 HZ1 LYS 4 1HZ LYS 4 0.783 -7.259 9.374
43 HZ2 LYS 4 2HZ LYS 4 2.287 -7.877 9.222
44 HZ3 LYS 4 3HZ LYS 4 1.958 -6.837 10.461
45 H ALA 5 H ALA 5 3.130 -0.280 10.230
46 HA ALA 5 HA ALA 5 1.778 1.576 11.898
47 HB1 ALA 5 1HB ALA 5 2.870 1.889 9.070
48 HB2 ALA 5 2HB ALA 5 2.521 3.204 10.211
49 HB3 ALA 5 3HB ALA 5 3.811 2.046 10.572
50 H SER 6 H SER 6 0.151 3.203 11.234
51 HA SER 6 HA SER 6 -2.099 2.059 9.727
52 HB2 SER 6 2HB SER 6 -3.264 4.140 10.140
53 HB3 SER 6 3HB SER 6 -2.621 3.460 11.636
54 HG SER 6 HG SER 6 -0.891 4.937 11.511
55 H HIS 7 H HIS 7 -2.839 2.653 7.769
56 HA HIS 7 HA HIS 7 -1.071 3.213 5.670
57 HB2 HIS 7 2HB HIS 7 -3.127 3.449 4.330
58 HB3 HIS 7 3HB HIS 7 -3.163 2.059 5.392
59 HD2 HIS 7 HD2 HIS 7 -5.879 3.009 4.279
60 HE1 HIS 7 HE1 HIS 7 -6.670 4.699 8.110
61 HE2 HIS 7 HE2 HIS 7 -7.722 3.909 5.938
62 H LYS 8 H LYS 8 -3.164 5.512 7.297
63 HA LYS 8 HA LYS 8 -2.368 7.872 5.806
64 HB2 LYS 8 2HB LYS 8 -3.633 7.516 8.547
65 HB3 LYS 8 3HB LYS 8 -3.305 9.098 7.857
66 HG2 LYS 8 2HG LYS 8 -5.131 7.019 6.582
67 HG3 LYS 8 3HG LYS 8 -5.642 8.375 7.587
68 HD2 LYS 8 2HD LYS 8 -4.466 9.913 5.866
69 HD3 LYS 8 3HD LYS 8 -4.420 8.489 4.809
70 HE2 LYS 8 2HE LYS 8 -6.916 8.232 5.199
71 HE3 LYS 8 3HE LYS 8 -6.890 9.753 6.093
72 HZ1 LYS 8 1HZ LYS 8 -7.552 10.149 3.835
73 HZ2 LYS 8 2HZ LYS 8 -6.039 10.805 4.014
74 HZ3 LYS 8 3HZ LYS 8 -6.231 9.403 3.220
75 H ASP 9 H ASP 9 -0.999 6.496 8.813
76 HA ASP 9 HA ASP 9 0.878 8.681 9.238
77 HB2 ASP 9 2HB ASP 9 0.057 7.081 10.969
78 HB3 ASP 9 3HB ASP 9 0.942 5.787 10.151
79 H ALA 10 H ALA 10 0.933 5.633 7.413
80 HA ALA 10 HA ALA 10 3.621 6.102 6.353
81 HB1 ALA 10 1HB ALA 10 1.471 4.119 5.541
82 HB2 ALA 10 2HB ALA 10 3.194 4.060 5.100
83 HB3 ALA 10 3HB ALA 10 2.709 3.838 6.789
84 H GLY 11 H GLY 11 0.841 7.802 5.735
85 HA2 GLY 11 2HA GLY 11 0.228 9.242 4.083
86 HA3 GLY 11 3HA GLY 11 1.870 9.107 3.455
87 H TYR 12 H TYR 12 -0.855 6.725 3.568
88 HA TYR 12 HA TYR 12 -0.539 6.090 0.756
89 HB2 TYR 12 2HB TYR 12 -1.786 4.324 1.138
90 HB3 TYR 12 3HB TYR 12 -1.499 4.650 2.808
91 HD1 TYR 12 HD1 TYR 12 -3.354 6.367 3.910
92 HD2 TYR 12 HD2 TYR 12 -3.938 3.964 0.394
93 HE1 TYR 12 HE1 TYR 12 -5.829 6.488 4.222
94 HE2 TYR 12 HE2 TYR 12 -6.409 4.118 0.687
95 HH TYR 12 HH TYR 12 -7.864 5.855 3.442
96 H GLN 13 H GLN 13 -1.995 6.343 -0.959
97 HA GLN 13 HA GLN 13 -4.240 8.160 -0.769
98 HB2 GLN 13 2HB GLN 13 -3.436 9.827 -2.371
99 HB3 GLN 13 3HB GLN 13 -2.471 9.821 -0.896
100 HG2 GLN 13 2HG GLN 13 -0.783 8.343 -2.184
101 HG3 GLN 13 3HG GLN 13 -1.674 8.772 -3.641
102 HE21 GLN 13 1HE2 GLN 13 1.067 9.516 -2.115
103 HE22 GLN 13 2HE2 GLN 13 1.219 11.181 -2.668
104 H GLU 14 H GLU 14 -5.770 7.381 -2.104
105 HA GLU 14 HA GLU 14 -5.060 5.305 -4.036
106 HB2 GLU 14 2HB GLU 14 -7.755 6.358 -3.136
107 HB3 GLU 14 3HB GLU 14 -7.546 5.083 -4.349
108 HG2 GLU 14 2HG GLU 14 -6.271 3.717 -2.724
109 HG3 GLU 14 3HG GLU 14 -6.512 4.953 -1.493
110 H SER 15 H SER 15 -3.970 7.751 -4.726
111 HA SER 15 HA SER 15 -4.808 7.836 -7.567
112 HB2 SER 15 2HB SER 15 -4.198 10.221 -7.751
113 HB3 SER 15 3HB SER 15 -5.643 9.928 -6.776
114 HG SER 15 HG SER 15 -3.027 10.598 -5.898
115 HA PRO 16 HA PRO 16 -0.646 6.638 -6.032
116 HB2 PRO 16 2HB PRO 16 -0.385 4.091 -6.895
117 HB3 PRO 16 3HB PRO 16 -1.588 4.551 -5.654
118 HG2 PRO 16 2HG PRO 16 -2.077 4.283 -8.645
119 HG3 PRO 16 3HG PRO 16 -2.944 3.458 -7.298
120 HD2 PRO 16 2HD PRO 16 -3.921 5.760 -8.306
121 HD3 PRO 16 3HD PRO 16 -3.919 5.439 -6.550
122 H ASN 17 H ASN 17 1.442 5.607 -6.886
123 HA ASN 17 HA ASN 17 2.456 6.754 -9.317
124 HB2 ASN 17 2HB ASN 17 3.887 6.105 -7.391
125 HB3 ASN 17 3HB ASN 17 3.433 4.413 -7.610
126 HD21 ASN 17 1HD2 ASN 17 5.034 7.166 -9.269
127 HD22 ASN 17 2HD2 ASN 17 5.920 6.148 -10.407
128 H GLY 18 H GLY 18 2.651 5.913 -11.383
129 HA2 GLY 18 2HA GLY 18 0.787 3.942 -12.258
130 HA3 GLY 18 3HA GLY 18 2.077 4.672 -13.220
131 H ALA 19 H ALA 19 4.259 3.617 -11.512
132 HA ALA 19 HA ALA 19 4.464 0.993 -12.792
133 HB1 ALA 19 1HB ALA 19 6.298 2.599 -12.985
134 HB2 ALA 19 2HB ALA 19 6.489 2.641 -11.223
135 HB3 ALA 19 3HB ALA 19 6.828 1.151 -12.121
136 H LYS 20 H LYS 20 4.982 2.168 -9.427
137 HA LYS 20 HA LYS 20 4.290 -0.574 -8.408
138 HB2 LYS 20 2HB LYS 20 6.611 1.206 -7.604
139 HB3 LYS 20 3HB LYS 20 6.040 -0.131 -6.612
140 HG2 LYS 20 2HG LYS 20 7.132 -0.393 -9.433
141 HG3 LYS 20 3HG LYS 20 7.985 -0.744 -7.924
142 HD2 LYS 20 2HD LYS 20 6.085 -2.438 -7.438
143 HD3 LYS 20 3HD LYS 20 5.667 -2.276 -9.150
144 HE2 LYS 20 2HE LYS 20 8.348 -3.178 -8.001
145 HE3 LYS 20 3HE LYS 20 7.119 -4.221 -8.730
146 HZ1 LYS 20 1HZ LYS 20 7.448 -3.067 -10.829
147 HZ2 LYS 20 2HZ LYS 20 8.587 -2.080 -10.170
148 HZ3 LYS 20 3HZ LYS 20 8.882 -3.673 -10.318
149 H ARG 21 H ARG 21 2.179 0.278 -8.193
150 HA ARG 21 HA ARG 21 1.777 1.618 -5.552
151 HB2 ARG 21 2HB ARG 21 -0.490 1.770 -6.084
152 HB3 ARG 21 3HB ARG 21 0.320 2.061 -7.621
153 HG2 ARG 21 2HG ARG 21 -0.067 -0.574 -7.944
154 HG3 ARG 21 3HG ARG 21 -1.265 -0.314 -6.667
155 HD2 ARG 21 2HD ARG 21 -2.443 -0.094 -8.724
156 HD3 ARG 21 3HD ARG 21 -2.229 1.550 -8.112
157 HE ARG 21 HE ARG 21 -0.039 0.843 -9.837
158 HH11 ARG 21 1HH1 ARG 21 -3.463 1.622 -10.136
159 HH12 ARG 21 2HH1 ARG 21 -3.259 2.114 -11.815
160 HH21 ARG 21 1HH2 ARG 21 0.093 1.440 -11.954
161 HH22 ARG 21 2HH2 ARG 21 -1.393 1.655 -12.856
162 H CYS 22 H CYS 22 0.018 0.266 -4.171
163 HA CYS 22 HA CYS 22 0.893 -2.216 -3.291
164 HB2 CYS 22 2HB CYS 22 -1.966 -1.216 -3.486
165 HB3 CYS 22 3HB CYS 22 -1.326 -2.344 -2.302
166 H GLY 23 H GLY 23 -0.374 -4.361 -3.516
167 HA2 GLY 23 2HA GLY 23 -1.056 -6.156 -4.868
168 HA3 GLY 23 3HA GLY 23 -1.281 -5.066 -6.222
169 H THR 24 H THR 24 1.165 -3.910 -6.579
170 HA THR 24 HA THR 24 3.016 -6.189 -7.163
171 HB THR 24 HB THR 24 2.007 -5.164 -9.124
172 HG1 THR 24 HG1 THR 24 4.113 -5.972 -9.259
173 HG21 THR 24 1HG2 THR 24 3.388 -2.610 -8.212
174 HG22 THR 24 2HG2 THR 24 2.729 -2.888 -9.837
175 HG23 THR 24 3HG2 THR 24 1.645 -2.865 -8.439
176 H CYS 25 H CYS 25 2.894 -3.218 -5.352
177 HA CYS 25 HA CYS 25 5.580 -2.607 -4.906
178 HB2 CYS 25 2HB CYS 25 3.783 -1.356 -3.856
179 HB3 CYS 25 3HB CYS 25 3.231 -2.783 -2.975
180 H ARG 26 H ARG 26 7.226 -3.332 -3.651
181 HA ARG 26 HA ARG 26 7.461 -6.184 -3.161
182 HB2 ARG 26 2HB ARG 26 9.298 -4.617 -3.838
183 HB3 ARG 26 3HB ARG 26 9.244 -3.901 -2.222
184 HG2 ARG 26 2HG ARG 26 9.911 -6.050 -1.221
185 HG3 ARG 26 3HG ARG 26 9.821 -6.833 -2.811
186 HD2 ARG 26 2HD ARG 26 11.649 -5.451 -3.642
187 HD3 ARG 26 3HD ARG 26 11.656 -4.482 -2.169
188 HE ARG 26 HE ARG 26 12.510 -7.350 -2.409
189 HH11 ARG 26 1HH1 ARG 26 12.158 -4.699 -0.158
190 HH12 ARG 26 2HH1 ARG 26 13.716 -4.972 0.581
191 HH21 ARG 26 1HH2 ARG 26 14.360 -7.854 -1.204
192 HH22 ARG 26 2HH2 ARG 26 14.613 -6.972 0.295
193 H GLN 27 H GLN 27 6.077 -3.674 -1.258
194 HA GLN 27 HA GLN 27 6.243 -5.325 1.227
195 HB2 GLN 27 2HB GLN 27 5.532 -2.446 0.680
196 HB3 GLN 27 3HB GLN 27 5.288 -3.214 2.249
197 HG2 GLN 27 2HG GLN 27 8.007 -3.146 0.863
198 HG3 GLN 27 3HG GLN 27 7.443 -1.855 1.907
199 HE21 GLN 27 1HE2 GLN 27 6.816 -2.422 4.129
200 HE22 GLN 27 2HE2 GLN 27 7.831 -3.593 4.965
201 H PHE 28 H PHE 28 4.137 -5.076 -1.405
202 HA PHE 28 HA PHE 28 1.616 -5.193 -0.014
203 HB2 PHE 28 2HB PHE 28 1.780 -4.698 -2.419
204 HB3 PHE 28 3HB PHE 28 2.455 -6.295 -2.723
205 HD1 PHE 28 HD1 PHE 28 -0.590 -4.663 -1.201
206 HD2 PHE 28 HD2 PHE 28 1.021 -8.086 -3.277
207 HE1 PHE 28 HE1 PHE 28 -2.875 -5.589 -1.458
208 HE2 PHE 28 HE2 PHE 28 -1.263 -9.031 -3.489
209 HZ PHE 28 HZ PHE 28 -3.216 -7.773 -2.614
210 H ARG 29 H ARG 29 0.243 -7.041 0.333
211 HA ARG 29 HA ARG 29 1.531 -9.702 0.350
212 HB2 ARG 29 2HB ARG 29 1.951 -8.649 2.558
213 HB3 ARG 29 3HB ARG 29 0.228 -8.377 2.766
214 HG2 ARG 29 2HG ARG 29 0.874 -10.287 4.068
215 HG3 ARG 29 3HG ARG 29 -0.152 -10.813 2.731
216 HD2 ARG 29 2HD ARG 29 2.020 -11.334 1.461
217 HD3 ARG 29 3HD ARG 29 2.886 -11.044 2.967
218 HE ARG 29 HE ARG 29 1.197 -12.930 3.820
219 HH11 ARG 29 1HH1 ARG 29 2.935 -12.991 0.708
220 HH12 ARG 29 2HH1 ARG 29 2.693 -14.733 0.625
221 HH21 ARG 29 1HH2 ARG 29 0.929 -15.020 3.488
222 HH22 ARG 29 2HH2 ARG 29 1.659 -15.819 2.086
223 HA PRO 30 HA PRO 30 -2.610 -10.586 -1.238
224 HB2 PRO 30 2HB PRO 30 -1.724 -13.434 -0.759
225 HB3 PRO 30 3HB PRO 30 -2.554 -12.742 -2.185
226 HG2 PRO 30 2HG PRO 30 0.104 -13.212 -2.282
227 HG3 PRO 30 3HG PRO 30 -0.532 -11.655 -2.914
228 HD2 PRO 30 2HD PRO 30 0.714 -12.211 -0.207
229 HD3 PRO 30 3HD PRO 30 1.047 -10.871 -1.357
230 HA PRO 31 HA PRO 31 -4.712 -11.914 -1.494
231 HB2 PRO 31 2HB PRO 31 -7.147 -11.201 0.129
232 HB3 PRO 31 3HB PRO 31 -6.988 -12.362 -1.222
233 HG2 PRO 31 2HG PRO 31 -7.100 -13.259 1.325
234 HG3 PRO 31 3HG PRO 31 -5.882 -13.956 0.202
235 HD2 PRO 31 2HD PRO 31 -5.487 -11.754 2.260
236 HD3 PRO 31 3HD PRO 31 -4.511 -13.223 1.981
237 H SER 32 H SER 32 -5.481 -9.374 0.945
238 HA SER 32 HA SER 32 -4.662 -7.274 -0.922
239 HB2 SER 32 2HB SER 32 -7.200 -7.713 -1.232
240 HB3 SER 32 3HB SER 32 -7.395 -6.905 0.325
241 HG SER 32 HG SER 32 -6.505 -5.048 -0.554
242 H SER 33 H SER 33 -3.085 -7.804 0.884
243 HA SER 33 HA SER 33 -3.494 -6.181 3.350
244 HB2 SER 33 2HB SER 33 -2.049 -8.844 3.002
245 HB3 SER 33 3HB SER 33 -2.064 -7.883 4.476
246 HG SER 33 HG SER 33 -3.544 -9.528 4.544
247 H CYS 34 H CYS 34 -1.228 -5.829 4.405
248 HA CYS 34 HA CYS 34 0.994 -5.487 2.466
249 HB2 CYS 34 2HB CYS 34 -0.267 -3.409 2.368
250 HB3 CYS 34 3HB CYS 34 -0.221 -3.253 4.127
251 H ILE 35 H ILE 35 2.970 -4.984 3.443
252 HA ILE 35 HA ILE 35 3.467 -6.185 6.134
253 HB ILE 35 HB ILE 35 5.394 -5.500 3.890
254 HG12 ILE 35 2HG1 ILE 35 4.038 -7.351 3.130
255 HG13 ILE 35 3HG1 ILE 35 5.636 -7.926 3.541
256 HG21 ILE 35 1HG2 ILE 35 5.841 -6.958 6.527
257 HG22 ILE 35 2HG2 ILE 35 7.001 -6.912 5.183
258 HG23 ILE 35 3HG2 ILE 35 6.558 -5.423 6.009
259 HD11 ILE 35 1HD1 ILE 35 3.116 -8.272 5.228
260 HD12 ILE 35 2HD1 ILE 35 3.938 -9.508 4.269
261 HD13 ILE 35 3HD1 ILE 35 4.740 -8.839 5.694
262 H THR 36 H THR 36 3.705 -3.169 4.271
263 HA THR 36 HA THR 36 5.141 -1.681 6.358
264 HB THR 36 HB THR 36 3.519 -0.664 4.000
265 HG1 THR 36 HG1 THR 36 5.206 -0.807 2.862
266 HG21 THR 36 1HG2 THR 36 5.744 0.692 5.586
267 HG22 THR 36 2HG2 THR 36 4.884 1.332 4.162
268 HG23 THR 36 3HG2 THR 36 4.016 1.111 5.680
269 H VAL 37 H VAL 37 1.761 -1.951 5.159
270 HA VAL 37 HA VAL 37 0.892 -0.382 7.527
271 HB VAL 37 HB VAL 37 -0.812 0.666 6.321
272 HG11 VAL 37 1HG1 VAL 37 1.704 0.762 4.610
273 HG12 VAL 37 2HG1 VAL 37 0.461 1.995 4.714
274 HG13 VAL 37 3HG1 VAL 37 1.458 1.637 6.144
275 HG21 VAL 37 1HG2 VAL 37 -1.530 -1.114 4.769
276 HG22 VAL 37 2HG2 VAL 37 -1.208 0.409 3.928
277 HG23 VAL 37 3HG2 VAL 37 -0.023 -0.896 3.844
278 H GLU 38 H GLU 38 -0.998 -0.698 8.531
279 HA GLU 38 HA GLU 38 -1.728 -3.345 9.091
280 HB2 GLU 38 2HB GLU 38 -1.891 -1.297 10.481
281 HB3 GLU 38 3HB GLU 38 -3.342 -0.821 9.593
282 HG2 GLU 38 2HG GLU 38 -4.495 -2.898 10.303
283 HG3 GLU 38 3HG GLU 38 -3.040 -3.427 11.158
284 H SER 39 H SER 39 -3.256 -4.717 8.475
285 HA SER 39 HA SER 39 -4.562 -4.112 5.883
286 HB2 SER 39 2HB SER 39 -3.666 -6.710 7.169
287 HB3 SER 39 3HB SER 39 -4.376 -6.570 5.555
288 HG SER 39 HG SER 39 -2.108 -5.058 6.385
289 HA PRO 40 HA PRO 40 -5.977 -5.691 4.496
290 HB2 PRO 40 2HB PRO 40 -8.387 -5.364 3.329
291 HB3 PRO 40 3HB PRO 40 -7.958 -6.837 4.251
292 HG2 PRO 40 2HG PRO 40 -9.519 -4.422 5.226
293 HG3 PRO 40 3HG PRO 40 -9.955 -6.153 5.380
294 HD2 PRO 40 2HD PRO 40 -8.708 -4.779 7.394
295 HD3 PRO 40 3HD PRO 40 -8.369 -6.503 7.076
296 H ILE 41 H ILE 41 -5.968 -4.422 2.583
297 HA ILE 41 HA ILE 41 -6.276 -1.485 2.891
298 HB ILE 41 HB ILE 41 -3.978 -2.244 3.583
299 HG12 ILE 41 2HG1 ILE 41 -2.632 -0.685 2.294
300 HG13 ILE 41 3HG1 ILE 41 -3.871 -0.523 1.071
301 HG21 ILE 41 1HG2 ILE 41 -3.741 -4.154 2.014
302 HG22 ILE 41 2HG2 ILE 41 -3.615 -3.018 0.654
303 HG23 ILE 41 3HG2 ILE 41 -2.382 -3.031 1.916
304 HD11 ILE 41 1HD1 ILE 41 -3.801 1.374 2.691
305 HD12 ILE 41 2HD1 ILE 41 -5.374 0.567 2.694
306 HD13 ILE 41 3HD1 ILE 41 -4.212 0.253 4.006
307 H SER 42 H SER 42 -6.137 -0.324 0.874
308 HA SER 42 HA SER 42 -7.461 -1.449 -1.400
309 HB2 SER 42 2HB SER 42 -7.516 0.942 -0.803
310 HB3 SER 42 3HB SER 42 -5.780 1.074 -1.087
311 HG SER 42 HG SER 42 -7.554 1.569 -2.815
312 H GLU 43 H GLU 43 -6.687 -2.287 -3.320
313 HA GLU 43 HA GLU 43 -3.802 -2.856 -3.538
314 HB2 GLU 43 2HB GLU 43 -4.269 -4.082 -5.517
315 HB3 GLU 43 3HB GLU 43 -5.408 -4.548 -4.251
316 HG2 GLU 43 2HG GLU 43 -7.106 -3.042 -5.237
317 HG3 GLU 43 3HG GLU 43 -5.996 -2.623 -6.548
318 H ASN 44 H ASN 44 -5.551 -0.082 -4.116
319 HA ASN 44 HA ASN 44 -3.377 0.934 -5.905
320 HB2 ASN 44 2HB ASN 44 -6.314 1.672 -5.749
321 HB3 ASN 44 3HB ASN 44 -5.131 2.834 -6.328
322 HD21 ASN 44 1HD2 ASN 44 -6.638 -0.274 -7.046
323 HD22 ASN 44 2HD2 ASN 44 -6.067 -0.334 -8.713
324 H GLY 45 H GLY 45 -3.656 0.598 -2.793
325 HA2 GLY 45 2HA GLY 45 -4.184 3.078 -1.636
326 HA3 GLY 45 3HA GLY 45 -3.246 1.772 -0.895
327 H TRP 46 H TRP 46 -0.935 1.772 -2.337
328 HA TRP 46 HA TRP 46 1.123 2.662 -2.381
329 HB2 TRP 46 2HB TRP 46 0.205 3.339 -4.509
330 HB3 TRP 46 3HB TRP 46 -0.269 4.887 -3.804
331 HD1 TRP 46 HD1 TRP 46 3.059 2.858 -3.924
332 HE1 TRP 46 HE1 TRP 46 4.983 4.422 -4.457
333 HE3 TRP 46 HE3 TRP 46 0.448 7.252 -4.253
334 HZ2 TRP 46 HZ2 TRP 46 5.355 7.221 -5.109
335 HZ3 TRP 46 HZ3 TRP 46 1.614 9.352 -4.922
336 HH2 TRP 46 HH2 TRP 46 4.055 9.341 -5.353
337 H CYS 47 H CYS 47 1.652 2.903 -0.243
338 HA CYS 47 HA CYS 47 1.412 5.530 1.073
339 HB2 CYS 47 2HB CYS 47 2.333 4.372 2.971
340 HB3 CYS 47 3HB CYS 47 1.156 3.279 2.238
341 H ARG 48 H ARG 48 3.321 6.677 1.846
342 HA ARG 48 HA ARG 48 5.411 6.782 -0.242
343 HB2 ARG 48 2HB ARG 48 6.187 8.832 0.740
344 HB3 ARG 48 3HB ARG 48 4.462 8.850 0.408
345 HG2 ARG 48 2HG ARG 48 4.079 8.358 2.872
346 HG3 ARG 48 3HG ARG 48 5.797 8.697 3.133
347 HD2 ARG 48 2HD ARG 48 5.481 10.975 2.262
348 HD3 ARG 48 3HD ARG 48 3.826 10.569 1.755
349 HE ARG 48 HE ARG 48 4.431 10.293 4.644
350 HH11 ARG 48 1HH1 ARG 48 3.003 12.488 2.272
351 HH12 ARG 48 2HH1 ARG 48 1.927 13.156 3.478
352 HH21 ARG 48 1HH2 ARG 48 3.085 11.078 5.987
353 HH22 ARG 48 2HH2 ARG 48 1.802 12.186 5.537
354 H LEU 49 H LEU 49 5.092 4.590 1.884
355 HA LEU 49 HA LEU 49 8.013 4.295 2.424
356 HB2 LEU 49 2HB LEU 49 5.597 3.442 4.043
357 HB3 LEU 49 3HB LEU 49 7.149 2.649 4.227
358 HG LEU 49 HG LEU 49 6.862 4.173 5.993
359 HD11 LEU 49 1HD1 LEU 49 8.880 5.481 5.884
360 HD12 LEU 49 2HD1 LEU 49 9.153 3.949 5.041
361 HD13 LEU 49 3HD1 LEU 49 8.893 5.441 4.113
362 HD21 LEU 49 1HD2 LEU 49 5.304 5.776 4.792
363 HD22 LEU 49 2HD2 LEU 49 6.503 6.494 5.885
364 HD23 LEU 49 3HD2 LEU 49 6.758 6.560 4.141
365 H TYR 50 H TYR 50 5.755 3.370 0.238
366 HA TYR 50 HA TYR 50 6.012 0.666 -0.196
367 HB2 TYR 50 2HB TYR 50 5.360 1.091 -2.367
368 HB3 TYR 50 3HB TYR 50 4.727 2.463 -1.495
369 HD1 TYR 50 HD1 TYR 50 6.693 4.514 -1.388
370 HD2 TYR 50 HD2 TYR 50 6.065 1.598 -4.486
371 HE1 TYR 50 HE1 TYR 50 7.823 6.012 -3.006
372 HE2 TYR 50 HE2 TYR 50 7.142 3.132 -6.137
373 HH TYR 50 HH TYR 50 8.688 6.201 -5.123
374 H ALA 51 H ALA 51 7.278 -0.531 -1.891
375 HA ALA 51 HA ALA 51 10.035 0.445 -2.373
376 HB1 ALA 51 1HB ALA 51 10.198 -0.636 -0.190
377 HB2 ALA 51 2HB ALA 51 9.406 -2.092 -0.819
378 HB3 ALA 51 3HB ALA 51 11.018 -1.628 -1.407
379 H GLY 52 H GLY 52 11.262 -0.763 -3.887
380 HA2 GLY 52 2HA GLY 52 11.639 -2.598 -5.340
381 HA3 GLY 52 3HA GLY 52 9.913 -2.924 -5.427
382 H LYS 53 H LYS 53 10.962 0.418 -5.909
383 HA LYS 53 HA LYS 53 9.937 0.243 -8.687
384 HB2 LYS 53 2HB LYS 53 9.144 2.000 -7.079
385 HB3 LYS 53 3HB LYS 53 10.759 2.721 -7.135
386 HG2 LYS 53 2HG LYS 53 10.511 3.020 -9.606
387 HG3 LYS 53 3HG LYS 53 8.896 2.279 -9.516
388 HD2 LYS 53 2HD LYS 53 8.047 4.080 -8.180
389 HD3 LYS 53 3HD LYS 53 9.648 4.803 -7.977
390 HE2 LYS 53 2HE LYS 53 8.469 4.441 -10.759
391 HE3 LYS 53 3HE LYS 53 7.919 5.760 -9.723
392 HZ1 LYS 53 1HZ LYS 53 10.250 6.493 -9.525
393 HZ2 LYS 53 2HZ LYS 53 10.707 5.348 -10.626
394 HZ3 LYS 53 3HZ LYS 53 9.719 6.569 -11.058
395 H ALA 54 H ALA 54 11.173 0.003 -10.374
396 HA ALA 54 HA ALA 54 14.107 0.441 -10.223
397 HB1 ALA 54 1HB ALA 54 12.394 -1.019 -12.273
398 HB2 ALA 54 2HB ALA 54 14.167 -0.934 -12.260
399 HB3 ALA 54 3HB ALA 54 13.313 -1.754 -10.940
Start of MODEL 19
1 H1 VAL 1 1H VAL 1 5.264 -11.044 16.728
2 H2 VAL 1 2H VAL 1 6.747 -10.446 16.400
3 H3 VAL 1 3H VAL 1 6.273 -11.862 15.717
4 HA VAL 1 HA VAL 1 6.115 -10.308 14.018
5 HB VAL 1 HB VAL 1 4.134 -11.878 14.464
6 HG11 VAL 1 1HG1 VAL 1 2.634 -9.283 15.026
7 HG12 VAL 1 2HG1 VAL 1 1.972 -10.920 14.918
8 HG13 VAL 1 3HG1 VAL 1 3.030 -10.486 16.267
9 HG21 VAL 1 1HG2 VAL 1 3.671 -9.413 12.744
10 HG22 VAL 1 2HG2 VAL 1 4.585 -10.872 12.282
11 HG23 VAL 1 3HG2 VAL 1 2.854 -10.977 12.602
12 H THR 2 H THR 2 5.666 -8.173 13.228
13 HA THR 2 HA THR 2 5.837 -6.191 15.437
14 HB THR 2 HB THR 2 7.768 -6.625 13.933
15 HG1 THR 2 HG1 THR 2 8.370 -4.623 14.167
16 HG21 THR 2 1HG2 THR 2 6.528 -6.589 11.727
17 HG22 THR 2 2HG2 THR 2 6.273 -4.850 11.973
18 HG23 THR 2 3HG2 THR 2 7.917 -5.491 11.814
19 H LYS 3 H LYS 3 5.177 -3.971 15.105
20 HA LYS 3 HA LYS 3 2.343 -3.856 14.486
21 HB2 LYS 3 2HB LYS 3 3.513 -2.654 16.381
22 HB3 LYS 3 3HB LYS 3 4.197 -1.556 15.175
23 HG2 LYS 3 2HG LYS 3 1.699 -1.159 14.471
24 HG3 LYS 3 3HG LYS 3 1.289 -1.939 15.990
25 HD2 LYS 3 2HD LYS 3 2.479 -0.222 17.241
26 HD3 LYS 3 3HD LYS 3 3.100 0.510 15.751
27 HE2 LYS 3 2HE LYS 3 0.121 0.253 16.347
28 HE3 LYS 3 3HE LYS 3 1.083 1.648 16.853
29 HZ1 LYS 3 1HZ LYS 3 0.753 0.803 14.019
30 HZ2 LYS 3 2HZ LYS 3 0.030 2.092 14.725
31 HZ3 LYS 3 3HZ LYS 3 1.643 2.076 14.541
32 H LYS 4 H LYS 4 1.245 -2.930 12.797
33 HA LYS 4 HA LYS 4 2.702 -2.052 10.369
34 HB2 LYS 4 2HB LYS 4 -0.283 -1.906 10.950
35 HB3 LYS 4 3HB LYS 4 0.518 -1.668 9.404
36 HG2 LYS 4 2HG LYS 4 0.198 -4.263 10.920
37 HG3 LYS 4 3HG LYS 4 -0.573 -3.792 9.415
38 HD2 LYS 4 2HD LYS 4 1.057 -4.798 8.269
39 HD3 LYS 4 3HD LYS 4 2.216 -3.608 8.872
40 HE2 LYS 4 2HE LYS 4 2.487 -5.023 10.947
41 HE3 LYS 4 3HE LYS 4 1.375 -6.204 10.198
42 HZ1 LYS 4 1HZ LYS 4 3.910 -5.378 8.964
43 HZ2 LYS 4 2HZ LYS 4 3.792 -6.712 9.932
44 HZ3 LYS 4 3HZ LYS 4 2.921 -6.669 8.554
45 H ALA 5 H ALA 5 2.552 0.008 9.440
46 HA ALA 5 HA ALA 5 2.200 2.274 11.325
47 HB1 ALA 5 1HB ALA 5 2.977 3.613 9.388
48 HB2 ALA 5 2HB ALA 5 4.118 2.320 9.812
49 HB3 ALA 5 3HB ALA 5 3.044 2.126 8.409
50 H SER 6 H SER 6 0.669 3.977 10.908
51 HA SER 6 HA SER 6 -1.874 3.151 9.708
52 HB2 SER 6 2HB SER 6 -2.641 5.396 10.196
53 HB3 SER 6 3HB SER 6 -1.906 4.642 11.617
54 HG SER 6 HG SER 6 0.041 5.829 11.090
55 H HIS 7 H HIS 7 -2.777 3.908 7.744
56 HA HIS 7 HA HIS 7 -0.719 3.329 5.902
57 HB2 HIS 7 2HB HIS 7 -2.461 3.100 4.239
58 HB3 HIS 7 3HB HIS 7 -2.926 2.354 5.756
59 HD2 HIS 7 HD2 HIS 7 -5.167 2.938 3.734
60 HE1 HIS 7 HE1 HIS 7 -6.277 6.210 6.228
61 HE2 HIS 7 HE2 HIS 7 -7.063 4.643 4.359
62 H LYS 8 H LYS 8 -2.682 6.311 5.923
63 HA LYS 8 HA LYS 8 -1.017 7.532 3.889
64 HB2 LYS 8 2HB LYS 8 -2.888 9.012 5.748
65 HB3 LYS 8 3HB LYS 8 -2.212 9.556 4.209
66 HG2 LYS 8 2HG LYS 8 -3.395 7.336 3.284
67 HG3 LYS 8 3HG LYS 8 -4.372 7.531 4.736
68 HD2 LYS 8 2HD LYS 8 -4.085 9.491 2.435
69 HD3 LYS 8 3HD LYS 8 -5.503 8.535 2.868
70 HE2 LYS 8 2HE LYS 8 -5.632 9.776 5.048
71 HE3 LYS 8 3HE LYS 8 -4.261 10.769 4.535
72 HZ1 LYS 8 1HZ LYS 8 -6.319 11.874 4.080
73 HZ2 LYS 8 2HZ LYS 8 -5.624 11.504 2.631
74 HZ3 LYS 8 3HZ LYS 8 -6.894 10.610 3.182
75 H ASP 9 H ASP 9 -0.537 7.346 7.353
76 HA ASP 9 HA ASP 9 1.498 9.439 7.452
77 HB2 ASP 9 2HB ASP 9 0.140 8.325 9.380
78 HB3 ASP 9 3HB ASP 9 1.356 7.046 9.305
79 H ALA 10 H ALA 10 1.448 5.982 6.759
80 HA ALA 10 HA ALA 10 4.261 5.747 5.983
81 HB1 ALA 10 1HB ALA 10 3.387 3.512 5.169
82 HB2 ALA 10 2HB ALA 10 3.116 3.853 6.891
83 HB3 ALA 10 3HB ALA 10 1.790 4.000 5.732
84 H GLY 11 H GLY 11 1.818 7.483 4.564
85 HA2 GLY 11 2HA GLY 11 2.012 8.690 2.621
86 HA3 GLY 11 3HA GLY 11 3.282 7.626 2.063
87 H TYR 12 H TYR 12 0.478 5.772 2.840
88 HA TYR 12 HA TYR 12 -0.060 5.014 0.103
89 HB2 TYR 12 2HB TYR 12 -0.490 3.494 1.920
90 HB3 TYR 12 3HB TYR 12 -1.525 4.666 2.712
91 HD1 TYR 12 HD1 TYR 12 -1.405 2.156 -0.006
92 HD2 TYR 12 HD2 TYR 12 -3.804 5.052 2.128
93 HE1 TYR 12 HE1 TYR 12 -3.475 1.128 -0.913
94 HE2 TYR 12 HE2 TYR 12 -5.870 3.998 1.237
95 HH TYR 12 HH TYR 12 -6.742 2.248 0.086
96 H GLN 13 H GLN 13 -1.938 5.355 -1.173
97 HA GLN 13 HA GLN 13 -3.790 7.498 -0.351
98 HB2 GLN 13 2HB GLN 13 -2.724 7.405 -3.195
99 HB3 GLN 13 3HB GLN 13 -3.836 8.564 -2.455
100 HG2 GLN 13 2HG GLN 13 -1.757 8.998 -0.835
101 HG3 GLN 13 3HG GLN 13 -0.838 8.306 -2.149
102 HE21 GLN 13 1HE2 GLN 13 0.024 10.692 -1.690
103 HE22 GLN 13 2HE2 GLN 13 -0.782 11.993 -2.557
104 H GLU 14 H GLU 14 -5.870 7.203 -0.952
105 HA GLU 14 HA GLU 14 -6.817 4.555 -1.481
106 HB2 GLU 14 2HB GLU 14 -9.002 5.537 -1.213
107 HB3 GLU 14 3HB GLU 14 -7.910 6.366 -0.101
108 HG2 GLU 14 2HG GLU 14 -7.628 8.103 -2.061
109 HG3 GLU 14 3HG GLU 14 -9.078 7.367 -2.722
110 H SER 15 H SER 15 -5.999 7.053 -3.655
111 HA SER 15 HA SER 15 -6.853 5.453 -5.980
112 HB2 SER 15 2HB SER 15 -7.153 8.469 -5.704
113 HB3 SER 15 3HB SER 15 -7.234 7.605 -7.250
114 HG SER 15 HG SER 15 -9.061 6.608 -6.657
115 HA PRO 16 HA PRO 16 -2.914 5.069 -5.932
116 HB2 PRO 16 2HB PRO 16 -2.534 4.929 -8.919
117 HB3 PRO 16 3HB PRO 16 -2.078 3.757 -7.636
118 HG2 PRO 16 2HG PRO 16 -4.326 3.351 -9.065
119 HG3 PRO 16 3HG PRO 16 -4.354 3.134 -7.275
120 HD2 PRO 16 2HD PRO 16 -5.190 5.568 -8.901
121 HD3 PRO 16 3HD PRO 16 -6.105 4.710 -7.643
122 H ASN 17 H ASN 17 -0.780 5.523 -5.882
123 HA ASN 17 HA ASN 17 -0.239 8.363 -6.035
124 HB2 ASN 17 2HB ASN 17 -0.013 6.610 -4.123
125 HB3 ASN 17 3HB ASN 17 1.527 6.196 -4.857
126 HD21 ASN 17 1HD2 ASN 17 1.663 6.893 -2.396
127 HD22 ASN 17 2HD2 ASN 17 2.009 8.602 -2.130
128 H GLY 18 H GLY 18 0.370 6.173 -8.435
129 HA2 GLY 18 2HA GLY 18 1.947 7.593 -10.118
130 HA3 GLY 18 3HA GLY 18 3.161 6.871 -9.069
131 H ALA 19 H ALA 19 4.108 5.535 -10.594
132 HA ALA 19 HA ALA 19 2.519 3.660 -12.194
133 HB1 ALA 19 1HB ALA 19 5.522 4.017 -11.874
134 HB2 ALA 19 2HB ALA 19 4.714 3.011 -13.090
135 HB3 ALA 19 3HB ALA 19 4.496 4.771 -13.112
136 H LYS 20 H LYS 20 4.753 3.348 -9.390
137 HA LYS 20 HA LYS 20 4.319 0.479 -8.966
138 HB2 LYS 20 2HB LYS 20 5.529 2.715 -7.400
139 HB3 LYS 20 3HB LYS 20 5.134 1.170 -6.607
140 HG2 LYS 20 2HG LYS 20 6.476 -0.074 -8.203
141 HG3 LYS 20 3HG LYS 20 6.750 1.378 -9.173
142 HD2 LYS 20 2HD LYS 20 8.038 2.391 -7.295
143 HD3 LYS 20 3HD LYS 20 7.749 0.935 -6.327
144 HE2 LYS 20 2HE LYS 20 9.957 0.791 -7.275
145 HE3 LYS 20 3HE LYS 20 8.939 -0.436 -8.033
146 HZ1 LYS 20 1HZ LYS 20 8.718 1.070 -9.969
147 HZ2 LYS 20 2HZ LYS 20 9.623 2.204 -9.210
148 HZ3 LYS 20 3HZ LYS 20 10.314 0.798 -9.657
149 H ARG 21 H ARG 21 3.156 -0.567 -7.529
150 HA ARG 21 HA ARG 21 0.681 0.688 -6.431
151 HB2 ARG 21 2HB ARG 21 -0.710 -0.443 -7.752
152 HB3 ARG 21 3HB ARG 21 0.629 -0.550 -8.859
153 HG2 ARG 21 2HG ARG 21 1.139 -2.846 -7.947
154 HG3 ARG 21 3HG ARG 21 -0.266 -2.677 -6.861
155 HD2 ARG 21 2HD ARG 21 -0.976 -3.948 -8.766
156 HD3 ARG 21 3HD ARG 21 -1.741 -2.381 -8.859
157 HE ARG 21 HE ARG 21 0.512 -3.390 -10.577
158 HH11 ARG 21 1HH1 ARG 21 -2.011 -0.896 -10.231
159 HH12 ARG 21 2HH1 ARG 21 -1.874 -0.508 -11.923
160 HH21 ARG 21 1HH2 ARG 21 0.560 -2.809 -12.597
161 HH22 ARG 21 2HH2 ARG 21 -0.529 -1.576 -13.243
162 H CYS 22 H CYS 22 -0.288 -0.490 -4.738
163 HA CYS 22 HA CYS 22 1.295 -2.000 -2.945
164 HB2 CYS 22 2HB CYS 22 -1.715 -1.869 -3.452
165 HB3 CYS 22 3HB CYS 22 -0.974 -2.656 -2.088
166 H GLY 23 H GLY 23 2.427 -3.692 -3.745
167 HA2 GLY 23 2HA GLY 23 1.921 -6.248 -4.390
168 HA3 GLY 23 3HA GLY 23 1.272 -5.468 -5.831
169 H THR 24 H THR 24 2.777 -3.853 -6.932
170 HA THR 24 HA THR 24 5.391 -5.026 -7.421
171 HB THR 24 HB THR 24 5.705 -3.114 -8.963
172 HG1 THR 24 HG1 THR 24 3.940 -1.798 -9.356
173 HG21 THR 24 1HG2 THR 24 3.954 -3.683 -10.541
174 HG22 THR 24 2HG2 THR 24 4.546 -5.150 -9.747
175 HG23 THR 24 3HG2 THR 24 2.981 -4.446 -9.270
176 H CYS 25 H CYS 25 4.253 -2.744 -5.151
177 HA CYS 25 HA CYS 25 6.648 -1.373 -4.410
178 HB2 CYS 25 2HB CYS 25 5.377 -0.952 -2.391
179 HB3 CYS 25 3HB CYS 25 4.169 -1.033 -3.677
180 H ARG 26 H ARG 26 5.814 -4.701 -4.135
181 HA ARG 26 HA ARG 26 6.794 -6.542 -3.302
182 HB2 ARG 26 2HB ARG 26 9.308 -4.949 -2.822
183 HB3 ARG 26 3HB ARG 26 9.163 -6.685 -3.099
184 HG2 ARG 26 2HG ARG 26 8.311 -6.224 -5.405
185 HG3 ARG 26 3HG ARG 26 8.583 -4.503 -5.147
186 HD2 ARG 26 2HD ARG 26 10.790 -6.574 -5.047
187 HD3 ARG 26 3HD ARG 26 10.436 -5.494 -6.409
188 HE ARG 26 HE ARG 26 10.678 -3.916 -4.062
189 HH11 ARG 26 1HH1 ARG 26 12.902 -5.438 -6.381
190 HH12 ARG 26 2HH1 ARG 26 14.139 -4.294 -5.868
191 HH21 ARG 26 1HH2 ARG 26 12.279 -2.609 -3.655
192 HH22 ARG 26 2HH2 ARG 26 13.799 -2.776 -4.528
193 H GLN 27 H GLN 27 5.548 -4.524 -1.323
194 HA GLN 27 HA GLN 27 6.229 -6.280 0.991
195 HB2 GLN 27 2HB GLN 27 7.164 -3.775 0.947
196 HB3 GLN 27 3HB GLN 27 5.555 -3.402 1.501
197 HG2 GLN 27 2HG GLN 27 7.159 -3.617 3.345
198 HG3 GLN 27 3HG GLN 27 5.863 -4.801 3.488
199 HE21 GLN 27 1HE2 GLN 27 8.816 -5.116 1.350
200 HE22 GLN 27 2HE2 GLN 27 9.412 -6.480 2.279
201 H PHE 28 H PHE 28 3.843 -5.605 -1.073
202 HA PHE 28 HA PHE 28 1.482 -5.494 0.516
203 HB2 PHE 28 2HB PHE 28 1.627 -5.007 -1.843
204 HB3 PHE 28 3HB PHE 28 2.098 -6.663 -2.212
205 HD1 PHE 28 HD1 PHE 28 -0.725 -4.625 -0.777
206 HD2 PHE 28 HD2 PHE 28 0.443 -8.255 -2.789
207 HE1 PHE 28 HE1 PHE 28 -3.109 -5.201 -1.126
208 HE2 PHE 28 HE2 PHE 28 -1.945 -8.818 -3.157
209 HZ PHE 28 HZ PHE 28 -3.721 -7.297 -2.316
210 H ARG 29 H ARG 29 -0.105 -7.180 0.838
211 HA ARG 29 HA ARG 29 0.966 -9.921 1.372
212 HB2 ARG 29 2HB ARG 29 1.152 -8.687 3.386
213 HB3 ARG 29 3HB ARG 29 -0.458 -8.002 3.235
214 HG2 ARG 29 2HG ARG 29 -1.445 -10.219 3.491
215 HG3 ARG 29 3HG ARG 29 0.179 -10.914 3.732
216 HD2 ARG 29 2HD ARG 29 0.424 -9.513 5.777
217 HD3 ARG 29 3HD ARG 29 -1.176 -8.808 5.472
218 HE ARG 29 HE ARG 29 -1.196 -11.729 5.645
219 HH11 ARG 29 1HH1 ARG 29 -1.666 -8.814 7.573
220 HH12 ARG 29 2HH1 ARG 29 -2.300 -9.738 8.914
221 HH21 ARG 29 1HH2 ARG 29 -2.129 -12.779 7.361
222 HH22 ARG 29 2HH2 ARG 29 -2.474 -11.873 8.819
223 HA PRO 30 HA PRO 30 -2.783 -10.232 -1.087
224 HB2 PRO 30 2HB PRO 30 -2.624 -12.841 -1.947
225 HB3 PRO 30 3HB PRO 30 -1.611 -11.514 -2.595
226 HG2 PRO 30 2HG PRO 30 -0.900 -13.508 -0.416
227 HG3 PRO 30 3HG PRO 30 0.056 -13.060 -1.866
228 HD2 PRO 30 2HD PRO 30 0.521 -11.928 0.563
229 HD3 PRO 30 3HD PRO 30 0.646 -10.959 -0.940
230 HA PRO 31 HA PRO 31 -4.537 -11.235 -2.139
231 HB2 PRO 31 2HB PRO 31 -7.403 -11.247 -1.322
232 HB3 PRO 31 3HB PRO 31 -6.614 -12.001 -2.738
233 HG2 PRO 31 2HG PRO 31 -7.425 -13.536 -0.672
234 HG3 PRO 31 3HG PRO 31 -5.817 -13.834 -1.411
235 HD2 PRO 31 2HD PRO 31 -6.432 -12.125 1.042
236 HD3 PRO 31 3HD PRO 31 -5.289 -13.497 0.908
237 H SER 32 H SER 32 -5.492 -9.594 0.810
238 HA SER 32 HA SER 32 -6.036 -7.040 -0.650
239 HB2 SER 32 2HB SER 32 -7.798 -8.018 1.606
240 HB3 SER 32 3HB SER 32 -8.170 -6.828 0.359
241 HG SER 32 HG SER 32 -8.513 -8.485 -1.099
242 H SER 33 H SER 33 -3.746 -7.844 1.231
243 HA SER 33 HA SER 33 -4.156 -5.748 3.333
244 HB2 SER 33 2HB SER 33 -3.024 -8.544 3.701
245 HB3 SER 33 3HB SER 33 -3.049 -7.267 4.927
246 HG SER 33 HG SER 33 -5.250 -8.643 3.769
247 H CYS 34 H CYS 34 -1.993 -5.303 4.495
248 HA CYS 34 HA CYS 34 0.358 -5.413 2.634
249 HB2 CYS 34 2HB CYS 34 -0.748 -3.238 2.440
250 HB3 CYS 34 3HB CYS 34 -0.722 -3.048 4.209
251 H ILE 35 H ILE 35 2.410 -5.511 3.608
252 HA ILE 35 HA ILE 35 2.459 -6.222 6.507
253 HB ILE 35 HB ILE 35 4.412 -6.649 4.254
254 HG12 ILE 35 2HG1 ILE 35 3.505 -8.764 6.214
255 HG13 ILE 35 3HG1 ILE 35 2.327 -8.186 5.068
256 HG21 ILE 35 1HG2 ILE 35 5.001 -7.145 7.198
257 HG22 ILE 35 2HG2 ILE 35 5.952 -7.761 5.837
258 HG23 ILE 35 3HG2 ILE 35 5.853 -6.026 6.109
259 HD11 ILE 35 1HD1 ILE 35 5.009 -9.445 4.394
260 HD12 ILE 35 2HD1 ILE 35 3.395 -10.118 4.098
261 HD13 ILE 35 3HD1 ILE 35 3.927 -8.699 3.188
262 H THR 36 H THR 36 2.905 -3.481 4.503
263 HA THR 36 HA THR 36 4.566 -2.069 6.527
264 HB THR 36 HB THR 36 3.234 -0.975 4.027
265 HG1 THR 36 HG1 THR 36 4.740 -1.790 3.014
266 HG21 THR 36 1HG2 THR 36 3.840 0.801 5.624
267 HG22 THR 36 2HG2 THR 36 5.481 0.139 5.759
268 HG23 THR 36 3HG2 THR 36 4.902 0.812 4.212
269 H VAL 37 H VAL 37 1.206 -1.964 5.188
270 HA VAL 37 HA VAL 37 0.587 -0.014 7.342
271 HB VAL 37 HB VAL 37 -0.942 1.092 5.977
272 HG11 VAL 37 1HG1 VAL 37 1.575 0.653 4.339
273 HG12 VAL 37 2HG1 VAL 37 0.544 2.085 4.356
274 HG13 VAL 37 3HG1 VAL 37 1.476 1.652 5.810
275 HG21 VAL 37 1HG2 VAL 37 -1.351 0.642 3.632
276 HG22 VAL 37 2HG2 VAL 37 -0.322 -0.789 3.686
277 HG23 VAL 37 3HG2 VAL 37 -1.854 -0.756 4.596
278 H GLU 38 H GLU 38 -1.238 0.229 8.327
279 HA GLU 38 HA GLU 38 -2.734 -1.854 9.384
280 HB2 GLU 38 2HB GLU 38 -2.392 0.483 10.152
281 HB3 GLU 38 3HB GLU 38 -3.475 1.068 8.902
282 HG2 GLU 38 2HG GLU 38 -5.369 -0.090 9.951
283 HG3 GLU 38 3HG GLU 38 -4.291 -0.822 11.146
284 H SER 39 H SER 39 -4.165 -3.230 8.521
285 HA SER 39 HA SER 39 -5.215 -2.713 5.780
286 HB2 SER 39 2HB SER 39 -3.977 -5.095 7.199
287 HB3 SER 39 3HB SER 39 -4.869 -5.291 5.694
288 HG SER 39 HG SER 39 -2.616 -3.583 6.102
289 HA PRO 40 HA PRO 40 -6.478 -5.096 4.458
290 HB2 PRO 40 2HB PRO 40 -9.308 -4.359 3.799
291 HB3 PRO 40 3HB PRO 40 -8.382 -5.819 3.353
292 HG2 PRO 40 2HG PRO 40 -10.218 -5.945 5.326
293 HG3 PRO 40 3HG PRO 40 -8.620 -6.736 5.539
294 HD2 PRO 40 2HD PRO 40 -9.508 -4.019 6.556
295 HD3 PRO 40 3HD PRO 40 -8.697 -5.341 7.439
296 H ILE 41 H ILE 41 -6.444 -4.176 2.284
297 HA ILE 41 HA ILE 41 -6.477 -1.211 2.156
298 HB ILE 41 HB ILE 41 -4.298 -2.340 3.091
299 HG12 ILE 41 2HG1 ILE 41 -2.781 -0.803 1.897
300 HG13 ILE 41 3HG1 ILE 41 -4.080 -0.400 0.780
301 HG21 ILE 41 1HG2 ILE 41 -3.771 -2.876 0.141
302 HG22 ILE 41 2HG2 ILE 41 -2.712 -3.207 1.511
303 HG23 ILE 41 3HG2 ILE 41 -4.208 -4.128 1.325
304 HD11 ILE 41 1HD1 ILE 41 -4.230 -0.004 3.811
305 HD12 ILE 41 2HD1 ILE 41 -3.734 1.251 2.662
306 HD13 ILE 41 3HD1 ILE 41 -5.383 0.612 2.602
307 H SER 42 H SER 42 -6.095 -0.363 -0.106
308 HA SER 42 HA SER 42 -7.324 -2.064 -2.155
309 HB2 SER 42 2HB SER 42 -7.561 0.454 -2.089
310 HB3 SER 42 3HB SER 42 -5.868 0.562 -2.589
311 HG SER 42 HG SER 42 -7.291 0.615 -4.382
312 H GLU 43 H GLU 43 -6.299 -3.436 -3.413
313 HA GLU 43 HA GLU 43 -3.461 -3.909 -3.399
314 HB2 GLU 43 2HB GLU 43 -3.997 -5.669 -5.032
315 HB3 GLU 43 3HB GLU 43 -4.972 -5.750 -3.579
316 HG2 GLU 43 2HG GLU 43 -6.132 -4.297 -5.959
317 HG3 GLU 43 3HG GLU 43 -6.007 -6.050 -6.020
318 H ASN 44 H ASN 44 -4.072 -1.238 -4.257
319 HA ASN 44 HA ASN 44 -2.554 -1.160 -6.780
320 HB2 ASN 44 2HB ASN 44 -5.193 -1.199 -7.084
321 HB3 ASN 44 3HB ASN 44 -5.100 0.484 -6.574
322 HD21 ASN 44 1HD2 ASN 44 -5.952 0.961 -8.756
323 HD22 ASN 44 2HD2 ASN 44 -4.892 0.761 -10.156
324 H GLY 45 H GLY 45 -3.293 0.388 -3.732
325 HA2 GLY 45 2HA GLY 45 -3.326 3.072 -4.395
326 HA3 GLY 45 3HA GLY 45 -2.888 2.444 -2.826
327 H TRP 46 H TRP 46 -0.486 1.397 -3.083
328 HA TRP 46 HA TRP 46 1.660 1.785 -2.998
329 HB2 TRP 46 2HB TRP 46 1.711 2.085 -5.345
330 HB3 TRP 46 3HB TRP 46 1.447 3.811 -5.193
331 HD1 TRP 46 HD1 TRP 46 4.006 1.531 -3.353
332 HE1 TRP 46 HE1 TRP 46 6.349 2.491 -3.656
333 HE3 TRP 46 HE3 TRP 46 2.907 5.302 -6.619
334 HZ2 TRP 46 HZ2 TRP 46 7.622 4.543 -5.243
335 HZ3 TRP 46 HZ3 TRP 46 4.727 6.756 -7.517
336 HH2 TRP 46 HH2 TRP 46 7.078 6.368 -6.847
337 H CYS 47 H CYS 47 2.856 2.603 -1.497
338 HA CYS 47 HA CYS 47 2.031 5.150 -0.241
339 HB2 CYS 47 2HB CYS 47 2.706 4.035 1.831
340 HB3 CYS 47 3HB CYS 47 1.729 2.912 0.906
341 H ARG 48 H ARG 48 4.251 5.301 1.462
342 HA ARG 48 HA ARG 48 6.589 5.946 -0.305
343 HB2 ARG 48 2HB ARG 48 5.675 7.441 2.192
344 HB3 ARG 48 3HB ARG 48 7.134 7.790 1.274
345 HG2 ARG 48 2HG ARG 48 4.320 8.014 0.108
346 HG3 ARG 48 3HG ARG 48 5.190 9.351 0.853
347 HD2 ARG 48 2HD ARG 48 6.868 9.361 -0.864
348 HD3 ARG 48 3HD ARG 48 6.376 7.777 -1.449
349 HE ARG 48 HE ARG 48 4.788 8.706 -2.762
350 HH11 ARG 48 1HH1 ARG 48 5.646 11.282 -0.474
351 HH12 ARG 48 2HH1 ARG 48 4.690 12.430 -1.398
352 HH21 ARG 48 1HH2 ARG 48 3.611 10.257 -3.759
353 HH22 ARG 48 2HH2 ARG 48 3.353 11.799 -2.957
354 H LEU 49 H LEU 49 5.409 4.247 2.457
355 HA LEU 49 HA LEU 49 8.108 3.803 3.532
356 HB2 LEU 49 2HB LEU 49 6.114 4.630 4.876
357 HB3 LEU 49 3HB LEU 49 5.448 3.012 4.699
358 HG LEU 49 HG LEU 49 7.406 2.099 5.980
359 HD11 LEU 49 1HD1 LEU 49 8.114 5.046 6.334
360 HD12 LEU 49 2HD1 LEU 49 8.830 3.697 7.237
361 HD13 LEU 49 3HD1 LEU 49 9.107 3.829 5.501
362 HD21 LEU 49 1HD2 LEU 49 5.313 2.674 7.112
363 HD22 LEU 49 2HD2 LEU 49 6.707 2.985 8.149
364 HD23 LEU 49 3HD2 LEU 49 5.885 4.342 7.356
365 H TYR 50 H TYR 50 6.260 2.166 1.291
366 HA TYR 50 HA TYR 50 6.650 -0.523 1.732
367 HB2 TYR 50 2HB TYR 50 6.671 -0.809 -0.624
368 HB3 TYR 50 3HB TYR 50 5.562 0.491 -0.259
369 HD1 TYR 50 HD1 TYR 50 6.316 2.921 -0.677
370 HD2 TYR 50 HD2 TYR 50 8.533 -0.495 -2.070
371 HE1 TYR 50 HE1 TYR 50 7.651 4.392 -2.187
372 HE2 TYR 50 HE2 TYR 50 9.811 0.956 -3.635
373 HH TYR 50 HH TYR 50 10.161 3.074 -4.408
374 H ALA 51 H ALA 51 8.217 -2.053 0.821
375 HA ALA 51 HA ALA 51 11.046 -1.238 0.773
376 HB1 ALA 51 1HB ALA 51 11.535 -2.730 2.724
377 HB2 ALA 51 2HB ALA 51 10.477 -1.375 3.176
378 HB3 ALA 51 3HB ALA 51 9.783 -2.990 2.933
379 H GLY 52 H GLY 52 12.447 -2.887 -0.063
380 HA2 GLY 52 2HA GLY 52 11.244 -5.000 -1.662
381 HA3 GLY 52 3HA GLY 52 12.960 -4.728 -1.396
382 H LYS 53 H LYS 53 10.377 -6.813 -0.748
383 HA LYS 53 HA LYS 53 11.301 -8.090 1.663
384 HB2 LYS 53 2HB LYS 53 9.827 -9.916 1.066
385 HB3 LYS 53 3HB LYS 53 9.030 -8.372 0.781
386 HG2 LYS 53 2HG LYS 53 9.769 -8.619 -1.685
387 HG3 LYS 53 3HG LYS 53 10.176 -10.289 -1.296
388 HD2 LYS 53 2HD LYS 53 7.421 -9.047 -0.881
389 HD3 LYS 53 3HD LYS 53 7.931 -9.867 -2.349
390 HE2 LYS 53 2HE LYS 53 8.320 -11.961 -1.042
391 HE3 LYS 53 3HE LYS 53 7.742 -11.134 0.416
392 HZ1 LYS 53 1HZ LYS 53 6.132 -11.509 -2.058
393 HZ2 LYS 53 2HZ LYS 53 5.950 -12.398 -0.685
394 HZ3 LYS 53 3HZ LYS 53 5.612 -10.800 -0.669
395 H ALA 54 H ALA 54 12.625 -9.813 2.026
396 HA ALA 54 HA ALA 54 14.427 -10.728 -0.180
397 HB1 ALA 54 1HB ALA 54 15.248 -9.605 2.531
398 HB2 ALA 54 2HB ALA 54 16.339 -10.288 1.307
399 HB3 ALA 54 3HB ALA 54 15.441 -8.802 0.956
Start of MODEL 20
1 H1 VAL 1 1H VAL 1 11.961 -7.402 14.269
2 H2 VAL 1 2H VAL 1 11.337 -8.671 15.104
3 H3 VAL 1 3H VAL 1 10.483 -7.998 13.878
4 HA VAL 1 HA VAL 1 13.073 -9.337 13.589
5 HB VAL 1 HB VAL 1 11.271 -10.890 14.242
6 HG11 VAL 1 1HG1 VAL 1 10.106 -10.415 11.463
7 HG12 VAL 1 2HG1 VAL 1 9.644 -11.670 12.617
8 HG13 VAL 1 3HG1 VAL 1 9.330 -9.981 13.006
9 HG21 VAL 1 1HG2 VAL 1 13.289 -11.617 13.059
10 HG22 VAL 1 2HG2 VAL 1 11.885 -12.594 12.618
11 HG23 VAL 1 3HG2 VAL 1 12.485 -11.361 11.491
12 H THR 2 H THR 2 10.319 -7.831 11.776
13 HA THR 2 HA THR 2 12.300 -7.135 9.656
14 HB THR 2 HB THR 2 10.437 -7.486 7.981
15 HG1 THR 2 HG1 THR 2 9.041 -9.293 8.754
16 HG21 THR 2 1HG2 THR 2 10.928 -9.818 7.649
17 HG22 THR 2 2HG2 THR 2 12.393 -9.027 8.241
18 HG23 THR 2 3HG2 THR 2 11.420 -10.022 9.345
19 H LYS 3 H LYS 3 12.045 -5.151 8.664
20 HA LYS 3 HA LYS 3 10.727 -3.273 10.465
21 HB2 LYS 3 2HB LYS 3 11.958 -1.551 9.468
22 HB3 LYS 3 3HB LYS 3 13.006 -2.947 9.673
23 HG2 LYS 3 2HG LYS 3 12.624 -3.454 7.187
24 HG3 LYS 3 3HG LYS 3 11.794 -1.902 7.094
25 HD2 LYS 3 2HD LYS 3 14.023 -1.489 6.367
26 HD3 LYS 3 3HD LYS 3 13.879 -0.801 7.988
27 HE2 LYS 3 2HE LYS 3 14.896 -3.029 8.844
28 HE3 LYS 3 3HE LYS 3 15.243 -3.402 7.153
29 HZ1 LYS 3 1HZ LYS 3 16.511 -1.244 7.100
30 HZ2 LYS 3 2HZ LYS 3 16.227 -1.088 8.701
31 HZ3 LYS 3 3HZ LYS 3 17.161 -2.329 8.169
32 H LYS 4 H LYS 4 9.104 -1.982 10.227
33 HA LYS 4 HA LYS 4 7.527 -1.797 7.701
34 HB2 LYS 4 2HB LYS 4 6.478 -2.398 10.509
35 HB3 LYS 4 3HB LYS 4 5.492 -1.638 9.288
36 HG2 LYS 4 2HG LYS 4 4.869 -3.819 9.175
37 HG3 LYS 4 3HG LYS 4 5.917 -3.631 7.767
38 HD2 LYS 4 2HD LYS 4 7.707 -4.859 8.901
39 HD3 LYS 4 3HD LYS 4 6.814 -4.810 10.442
40 HE2 LYS 4 2HE LYS 4 4.973 -6.109 9.337
41 HE3 LYS 4 3HE LYS 4 5.969 -6.237 7.880
42 HZ1 LYS 4 1HZ LYS 4 6.821 -7.214 10.539
43 HZ2 LYS 4 2HZ LYS 4 6.052 -8.138 9.446
44 HZ3 LYS 4 3HZ LYS 4 7.550 -7.531 9.075
45 H ALA 5 H ALA 5 6.180 0.120 7.664
46 HA ALA 5 HA ALA 5 7.210 2.378 9.337
47 HB1 ALA 5 1HB ALA 5 6.078 2.529 6.515
48 HB2 ALA 5 2HB ALA 5 6.749 3.857 7.476
49 HB3 ALA 5 3HB ALA 5 7.813 2.555 6.915
50 H SER 6 H SER 6 5.639 3.997 9.927
51 HA SER 6 HA SER 6 2.969 3.086 10.586
52 HB2 SER 6 2HB SER 6 4.062 5.890 10.295
53 HB3 SER 6 3HB SER 6 2.542 5.438 11.104
54 HG SER 6 HG SER 6 4.567 5.726 12.388
55 H HIS 7 H HIS 7 1.010 3.434 9.475
56 HA HIS 7 HA HIS 7 0.965 3.338 6.654
57 HB2 HIS 7 2HB HIS 7 -1.460 3.661 6.930
58 HB3 HIS 7 3HB HIS 7 -0.822 2.494 8.090
59 HD2 HIS 7 HD2 HIS 7 -3.604 4.186 8.444
60 HE1 HIS 7 HE1 HIS 7 -1.565 6.079 11.672
61 HE2 HIS 7 HE2 HIS 7 -3.840 5.671 10.599
62 H LYS 8 H LYS 8 0.681 6.089 8.748
63 HA LYS 8 HA LYS 8 0.199 8.096 6.675
64 HB2 LYS 8 2HB LYS 8 1.004 8.288 9.595
65 HB3 LYS 8 3HB LYS 8 0.636 9.679 8.582
66 HG2 LYS 8 2HG LYS 8 -1.445 7.507 8.719
67 HG3 LYS 8 3HG LYS 8 -1.175 8.448 10.177
68 HD2 LYS 8 2HD LYS 8 -1.697 9.765 7.493
69 HD3 LYS 8 3HD LYS 8 -3.015 9.232 8.539
70 HE2 LYS 8 2HE LYS 8 -0.820 11.033 9.603
71 HE3 LYS 8 3HE LYS 8 -2.169 11.710 8.691
72 HZ1 LYS 8 1HZ LYS 8 -2.645 9.991 11.057
73 HZ2 LYS 8 2HZ LYS 8 -2.473 11.632 11.176
74 HZ3 LYS 8 3HZ LYS 8 -3.696 10.982 10.302
75 H ASP 9 H ASP 9 3.142 6.667 7.980
76 HA ASP 9 HA ASP 9 4.853 8.652 6.616
77 HB2 ASP 9 2HB ASP 9 5.470 7.547 8.826
78 HB3 ASP 9 3HB ASP 9 5.722 6.053 7.918
79 H ALA 10 H ALA 10 3.434 5.516 5.996
80 HA ALA 10 HA ALA 10 4.530 5.304 3.291
81 HB1 ALA 10 1HB ALA 10 2.858 3.495 3.105
82 HB2 ALA 10 2HB ALA 10 3.830 3.325 4.574
83 HB3 ALA 10 3HB ALA 10 2.169 3.949 4.665
84 H GLY 11 H GLY 11 2.488 7.519 4.689
85 HA2 GLY 11 2HA GLY 11 1.195 9.211 3.911
86 HA3 GLY 11 3HA GLY 11 1.896 8.893 2.324
87 H TYR 12 H TYR 12 -0.200 6.563 4.082
88 HA TYR 12 HA TYR 12 -1.149 5.931 1.610
89 HB2 TYR 12 2HB TYR 12 -2.156 4.111 2.465
90 HB3 TYR 12 3HB TYR 12 -0.982 4.423 3.682
91 HD1 TYR 12 HD1 TYR 12 -2.100 6.268 5.566
92 HD2 TYR 12 HD2 TYR 12 -4.180 3.384 3.123
93 HE1 TYR 12 HE1 TYR 12 -4.058 6.397 7.093
94 HE2 TYR 12 HE2 TYR 12 -6.161 3.540 4.637
95 HH TYR 12 HH TYR 12 -7.093 4.625 6.393
96 H GLN 13 H GLN 13 -2.755 6.093 0.329
97 HA GLN 13 HA GLN 13 -5.248 7.437 0.723
98 HB2 GLN 13 2HB GLN 13 -4.843 9.378 -0.659
99 HB3 GLN 13 3HB GLN 13 -3.678 9.405 0.660
100 HG2 GLN 13 2HG GLN 13 -1.981 8.394 -0.974
101 HG3 GLN 13 3HG GLN 13 -3.160 8.692 -2.253
102 HE21 GLN 13 1HE2 GLN 13 -4.039 11.233 -2.146
103 HE22 GLN 13 2HE2 GLN 13 -2.700 12.347 -1.976
104 H GLU 14 H GLU 14 -6.553 7.127 -1.261
105 HA GLU 14 HA GLU 14 -5.694 4.795 -2.778
106 HB2 GLU 14 2HB GLU 14 -8.250 6.421 -2.877
107 HB3 GLU 14 3HB GLU 14 -7.975 4.922 -3.780
108 HG2 GLU 14 2HG GLU 14 -7.625 3.683 -1.696
109 HG3 GLU 14 3HG GLU 14 -7.893 5.154 -0.748
110 H SER 15 H SER 15 -3.962 6.852 -3.365
111 HA SER 15 HA SER 15 -4.268 7.195 -6.306
112 HB2 SER 15 2HB SER 15 -3.604 9.467 -4.405
113 HB3 SER 15 3HB SER 15 -3.409 9.505 -6.163
114 HG SER 15 HG SER 15 -5.829 9.175 -4.698
115 HA PRO 16 HA PRO 16 -0.240 5.395 -4.921
116 HB2 PRO 16 2HB PRO 16 0.238 3.747 -7.045
117 HB3 PRO 16 3HB PRO 16 -0.928 3.369 -5.746
118 HG2 PRO 16 2HG PRO 16 -1.502 4.644 -8.448
119 HG3 PRO 16 3HG PRO 16 -2.310 3.225 -7.707
120 HD2 PRO 16 2HD PRO 16 -3.374 5.697 -7.519
121 HD3 PRO 16 3HD PRO 16 -3.440 4.579 -6.122
122 H ASN 17 H ASN 17 1.946 5.067 -6.177
123 HA ASN 17 HA ASN 17 2.634 7.747 -7.274
124 HB2 ASN 17 2HB ASN 17 3.585 7.160 -5.101
125 HB3 ASN 17 3HB ASN 17 4.209 5.642 -5.732
126 HD21 ASN 17 1HD2 ASN 17 4.536 9.198 -5.893
127 HD22 ASN 17 2HD2 ASN 17 6.271 9.101 -6.206
128 H GLY 18 H GLY 18 4.387 7.863 -8.865
129 HA2 GLY 18 2HA GLY 18 3.933 6.498 -11.227
130 HA3 GLY 18 3HA GLY 18 5.447 7.307 -10.823
131 H ALA 19 H ALA 19 3.994 4.371 -11.540
132 HA ALA 19 HA ALA 19 4.562 2.224 -11.609
133 HB1 ALA 19 1HB ALA 19 7.458 3.105 -11.549
134 HB2 ALA 19 2HB ALA 19 6.768 1.636 -12.272
135 HB3 ALA 19 3HB ALA 19 6.398 3.214 -12.973
136 H LYS 20 H LYS 20 4.307 3.483 -8.878
137 HA LYS 20 HA LYS 20 5.118 1.071 -7.323
138 HB2 LYS 20 2HB LYS 20 5.592 3.986 -6.606
139 HB3 LYS 20 3HB LYS 20 5.475 2.747 -5.367
140 HG2 LYS 20 2HG LYS 20 7.555 2.766 -7.598
141 HG3 LYS 20 3HG LYS 20 7.794 3.348 -5.948
142 HD2 LYS 20 2HD LYS 20 7.167 1.015 -5.124
143 HD3 LYS 20 3HD LYS 20 7.249 0.489 -6.821
144 HE2 LYS 20 2HE LYS 20 9.607 1.277 -6.927
145 HE3 LYS 20 3HE LYS 20 9.523 1.761 -5.227
146 HZ1 LYS 20 1HZ LYS 20 10.501 -0.480 -5.521
147 HZ2 LYS 20 2HZ LYS 20 9.124 -0.574 -4.639
148 HZ3 LYS 20 3HZ LYS 20 9.113 -1.003 -6.219
149 H ARG 21 H ARG 21 3.205 0.157 -7.064
150 HA ARG 21 HA ARG 21 1.221 1.547 -5.325
151 HB2 ARG 21 2HB ARG 21 -0.666 0.808 -6.522
152 HB3 ARG 21 3HB ARG 21 0.414 1.408 -7.777
153 HG2 ARG 21 2HG ARG 21 1.159 -1.019 -8.142
154 HG3 ARG 21 3HG ARG 21 -0.106 -1.504 -6.987
155 HD2 ARG 21 2HD ARG 21 -0.905 -1.801 -9.249
156 HD3 ARG 21 3HD ARG 21 -1.835 -0.553 -8.454
157 HE ARG 21 HE ARG 21 0.366 -0.041 -10.445
158 HH11 ARG 21 1HH1 ARG 21 -2.718 1.128 -9.118
159 HH12 ARG 21 2HH1 ARG 21 -2.890 2.200 -10.510
160 HH21 ARG 21 1HH2 ARG 21 -0.010 1.485 -12.045
161 HH22 ARG 21 2HH2 ARG 21 -1.516 2.398 -11.952
162 H CYS 22 H CYS 22 -0.166 -0.118 -4.124
163 HA CYS 22 HA CYS 22 0.993 -2.051 -2.680
164 HB2 CYS 22 2HB CYS 22 -1.763 -2.125 -3.974
165 HB3 CYS 22 3HB CYS 22 -1.265 -3.063 -2.577
166 H GLY 23 H GLY 23 2.522 -3.438 -3.523
167 HA2 GLY 23 2HA GLY 23 2.534 -5.874 -4.544
168 HA3 GLY 23 3HA GLY 23 1.886 -5.064 -5.969
169 H THR 24 H THR 24 3.279 -3.185 -6.867
170 HA THR 24 HA THR 24 6.133 -3.842 -6.869
171 HB THR 24 HB THR 24 6.328 -1.611 -8.090
172 HG1 THR 24 HG1 THR 24 4.144 -1.209 -9.061
173 HG21 THR 24 1HG2 THR 24 6.200 -3.879 -9.168
174 HG22 THR 24 2HG2 THR 24 4.441 -3.661 -9.315
175 HG23 THR 24 3HG2 THR 24 5.568 -2.563 -10.153
176 H CYS 25 H CYS 25 4.142 -1.971 -4.765
177 HA CYS 25 HA CYS 25 6.200 -0.484 -3.401
178 HB2 CYS 25 2HB CYS 25 4.543 -0.321 -1.678
179 HB3 CYS 25 3HB CYS 25 3.600 -0.337 -3.168
180 H ARG 26 H ARG 26 5.837 -3.832 -3.720
181 HA ARG 26 HA ARG 26 6.622 -5.709 -2.794
182 HB2 ARG 26 2HB ARG 26 8.754 -4.668 -2.692
183 HB3 ARG 26 3HB ARG 26 8.408 -3.847 -1.184
184 HG2 ARG 26 2HG ARG 26 8.368 -6.865 -1.305
185 HG3 ARG 26 3HG ARG 26 9.873 -5.940 -1.226
186 HD2 ARG 26 2HD ARG 26 9.167 -4.854 0.845
187 HD3 ARG 26 3HD ARG 26 7.692 -5.823 0.886
188 HE ARG 26 HE ARG 26 9.696 -7.708 0.690
189 HH11 ARG 26 1HH1 ARG 26 9.040 -5.150 3.019
190 HH12 ARG 26 2HH1 ARG 26 10.053 -5.883 4.230
191 HH21 ARG 26 1HH2 ARG 26 10.739 -8.679 2.385
192 HH22 ARG 26 2HH2 ARG 26 11.270 -7.688 3.729
193 H GLN 27 H GLN 27 4.967 -3.489 -0.772
194 HA GLN 27 HA GLN 27 4.918 -5.293 1.553
195 HB2 GLN 27 2HB GLN 27 4.448 -2.430 0.954
196 HB3 GLN 27 3HB GLN 27 3.407 -3.107 2.203
197 HG2 GLN 27 2HG GLN 27 5.408 -1.978 3.058
198 HG3 GLN 27 3HG GLN 27 5.219 -3.631 3.626
199 HE21 GLN 27 1HE2 GLN 27 6.810 -2.280 0.567
200 HE22 GLN 27 2HE2 GLN 27 8.358 -2.933 1.049
201 H PHE 28 H PHE 28 2.868 -4.977 -1.157
202 HA PHE 28 HA PHE 28 0.366 -5.677 0.076
203 HB2 PHE 28 2HB PHE 28 0.386 -5.074 -2.226
204 HB3 PHE 28 3HB PHE 28 1.585 -6.311 -2.615
205 HD1 PHE 28 HD1 PHE 28 -1.976 -5.815 -1.569
206 HD2 PHE 28 HD2 PHE 28 0.951 -8.539 -3.186
207 HE1 PHE 28 HE1 PHE 28 -3.788 -7.396 -2.195
208 HE2 PHE 28 HE2 PHE 28 -0.861 -10.114 -3.813
209 HZ PHE 28 HZ PHE 28 -3.235 -9.545 -3.322
210 H ARG 29 H ARG 29 -0.305 -7.472 1.036
211 HA ARG 29 HA ARG 29 1.369 -9.927 0.872
212 HB2 ARG 29 2HB ARG 29 1.278 -10.336 3.101
213 HB3 ARG 29 3HB ARG 29 1.661 -8.646 2.973
214 HG2 ARG 29 2HG ARG 29 -0.691 -8.084 3.552
215 HG3 ARG 29 3HG ARG 29 -1.045 -9.820 3.735
216 HD2 ARG 29 2HD ARG 29 0.726 -9.959 5.464
217 HD3 ARG 29 3HD ARG 29 1.004 -8.229 5.307
218 HE ARG 29 HE ARG 29 -0.934 -7.781 6.522
219 HH11 ARG 29 1HH1 ARG 29 -1.037 -11.270 5.822
220 HH12 ARG 29 2HH1 ARG 29 -1.992 -11.529 7.265
221 HH21 ARG 29 1HH2 ARG 29 -2.288 -8.254 8.111
222 HH22 ARG 29 2HH2 ARG 29 -2.700 -9.941 8.472
223 HA PRO 30 HA PRO 30 -2.515 -11.040 -0.946
224 HB2 PRO 30 2HB PRO 30 -1.913 -13.651 -1.727
225 HB3 PRO 30 3HB PRO 30 -1.506 -12.165 -2.633
226 HG2 PRO 30 2HG PRO 30 0.243 -13.762 -0.764
227 HG3 PRO 30 3HG PRO 30 0.672 -13.035 -2.341
228 HD2 PRO 30 2HD PRO 30 1.316 -11.872 0.031
229 HD3 PRO 30 3HD PRO 30 0.868 -10.873 -1.386
230 HA PRO 31 HA PRO 31 -4.204 -12.721 -1.658
231 HB2 PRO 31 2HB PRO 31 -6.862 -12.905 -1.137
232 HB3 PRO 31 3HB PRO 31 -5.755 -14.308 -1.091
233 HG2 PRO 31 2HG PRO 31 -6.716 -12.623 1.245
234 HG3 PRO 31 3HG PRO 31 -6.720 -14.408 1.101
235 HD2 PRO 31 2HD PRO 31 -4.709 -13.062 2.376
236 HD3 PRO 31 3HD PRO 31 -4.389 -14.537 1.418
237 H SER 32 H SER 32 -5.069 -10.564 1.077
238 HA SER 32 HA SER 32 -5.558 -8.354 -0.842
239 HB2 SER 32 2HB SER 32 -7.834 -7.963 0.009
240 HB3 SER 32 3HB SER 32 -7.686 -9.556 -0.725
241 HG SER 32 HG SER 32 -7.121 -9.957 1.813
242 H SER 33 H SER 33 -3.674 -8.810 1.595
243 HA SER 33 HA SER 33 -4.522 -6.369 3.128
244 HB2 SER 33 2HB SER 33 -3.058 -8.814 4.146
245 HB3 SER 33 3HB SER 33 -3.424 -7.352 5.084
246 HG SER 33 HG SER 33 -5.106 -8.779 5.487
247 H CYS 34 H CYS 34 -2.608 -5.384 4.335
248 HA CYS 34 HA CYS 34 -0.132 -5.245 2.633
249 HB2 CYS 34 2HB CYS 34 -1.457 -3.197 2.545
250 HB3 CYS 34 3HB CYS 34 -1.543 -3.123 4.310
251 H ILE 35 H ILE 35 1.881 -5.266 3.820
252 HA ILE 35 HA ILE 35 1.683 -6.370 6.562
253 HB ILE 35 HB ILE 35 4.381 -5.579 6.114
254 HG12 ILE 35 2HG1 ILE 35 3.374 -7.191 3.756
255 HG13 ILE 35 3HG1 ILE 35 3.963 -5.520 3.734
256 HG21 ILE 35 1HG2 ILE 35 3.172 -8.370 6.054
257 HG22 ILE 35 2HG2 ILE 35 4.816 -7.914 6.531
258 HG23 ILE 35 3HG2 ILE 35 3.453 -7.423 7.533
259 HD11 ILE 35 1HD1 ILE 35 5.615 -7.978 4.390
260 HD12 ILE 35 2HD1 ILE 35 5.721 -6.965 2.949
261 HD13 ILE 35 3HD1 ILE 35 6.190 -6.295 4.523
262 H THR 36 H THR 36 1.770 -3.205 5.245
263 HA THR 36 HA THR 36 2.740 -2.106 7.857
264 HB THR 36 HB THR 36 4.195 -2.084 5.661
265 HG1 THR 36 HG1 THR 36 3.950 0.077 7.465
266 HG21 THR 36 1HG2 THR 36 2.537 -0.766 4.318
267 HG22 THR 36 2HG2 THR 36 2.826 0.618 5.400
268 HG23 THR 36 3HG2 THR 36 4.143 -0.050 4.418
269 H VAL 37 H VAL 37 0.035 -2.043 5.747
270 HA VAL 37 HA VAL 37 -0.965 0.412 7.140
271 HB VAL 37 HB VAL 37 -1.649 -0.514 4.329
272 HG11 VAL 37 1HG1 VAL 37 -2.523 1.937 5.922
273 HG12 VAL 37 2HG1 VAL 37 -2.750 1.721 4.182
274 HG13 VAL 37 3HG1 VAL 37 -3.560 0.631 5.306
275 HG21 VAL 37 1HG2 VAL 37 0.561 0.436 4.290
276 HG22 VAL 37 2HG2 VAL 37 -0.523 1.687 3.715
277 HG23 VAL 37 3HG2 VAL 37 0.091 1.763 5.378
278 H GLU 38 H GLU 38 -3.022 0.490 7.918
279 HA GLU 38 HA GLU 38 -4.189 -1.783 9.018
280 HB2 GLU 38 2HB GLU 38 -4.555 0.716 9.569
281 HB3 GLU 38 3HB GLU 38 -5.793 0.700 8.305
282 HG2 GLU 38 2HG GLU 38 -6.882 -1.241 9.536
283 HG3 GLU 38 3HG GLU 38 -5.689 -1.037 10.816
284 H SER 39 H SER 39 -5.328 -3.390 8.276
285 HA SER 39 HA SER 39 -5.968 -3.444 5.371
286 HB2 SER 39 2HB SER 39 -4.675 -5.376 7.316
287 HB3 SER 39 3HB SER 39 -5.283 -5.922 5.756
288 HG SER 39 HG SER 39 -3.386 -3.825 6.153
289 HA PRO 40 HA PRO 40 -6.609 -5.960 4.146
290 HB2 PRO 40 2HB PRO 40 -9.422 -5.786 3.120
291 HB3 PRO 40 3HB PRO 40 -8.188 -7.049 2.819
292 HG2 PRO 40 2HG PRO 40 -10.159 -7.541 4.575
293 HG3 PRO 40 3HG PRO 40 -8.470 -7.945 5.037
294 HD2 PRO 40 2HD PRO 40 -10.059 -5.445 5.737
295 HD3 PRO 40 3HD PRO 40 -9.135 -6.523 6.824
296 H ILE 41 H ILE 41 -6.570 -5.125 1.837
297 HA ILE 41 HA ILE 41 -7.020 -2.173 1.747
298 HB ILE 41 HB ILE 41 -4.857 -1.795 0.911
299 HG12 ILE 41 2HG1 ILE 41 -3.779 -4.546 1.399
300 HG13 ILE 41 3HG1 ILE 41 -4.604 -4.262 -0.117
301 HG21 ILE 41 1HG2 ILE 41 -4.490 -3.536 3.373
302 HG22 ILE 41 2HG2 ILE 41 -3.535 -2.125 2.891
303 HG23 ILE 41 3HG2 ILE 41 -5.216 -1.926 3.410
304 HD11 ILE 41 1HD1 ILE 41 -2.141 -3.878 -0.223
305 HD12 ILE 41 2HD1 ILE 41 -3.167 -2.548 -0.797
306 HD13 ILE 41 3HD1 ILE 41 -2.379 -2.432 0.784
307 H SER 42 H SER 42 -6.579 -1.228 -0.406
308 HA SER 42 HA SER 42 -7.962 -2.744 -2.547
309 HB2 SER 42 2HB SER 42 -8.656 -0.428 -1.957
310 HB3 SER 42 3HB SER 42 -7.055 0.155 -2.439
311 HG SER 42 HG SER 42 -8.520 0.376 -4.116
312 H GLU 43 H GLU 43 -6.624 -4.036 -3.740
313 HA GLU 43 HA GLU 43 -3.804 -3.686 -3.858
314 HB2 GLU 43 2HB GLU 43 -3.798 -5.593 -5.325
315 HB3 GLU 43 3HB GLU 43 -4.961 -5.847 -4.021
316 HG2 GLU 43 2HG GLU 43 -6.820 -5.221 -5.569
317 HG3 GLU 43 3HG GLU 43 -5.650 -4.956 -6.864
318 H ASN 44 H ASN 44 -6.065 -1.969 -5.688
319 HA ASN 44 HA ASN 44 -4.365 -1.466 -8.021
320 HB2 ASN 44 2HB ASN 44 -6.835 -1.310 -8.123
321 HB3 ASN 44 3HB ASN 44 -6.818 -0.018 -6.921
322 HD21 ASN 44 1HD2 ASN 44 -6.436 2.106 -7.639
323 HD22 ASN 44 2HD2 ASN 44 -6.116 2.466 -9.337
324 H GLY 45 H GLY 45 -4.273 -0.440 -4.737
325 HA2 GLY 45 2HA GLY 45 -2.110 0.920 -4.332
326 HA3 GLY 45 3HA GLY 45 -2.877 2.122 -5.379
327 H TRP 46 H TRP 46 -2.697 0.790 -2.261
328 HA TRP 46 HA TRP 46 -4.895 2.498 -1.191
329 HB2 TRP 46 2HB TRP 46 -4.934 0.042 -0.837
330 HB3 TRP 46 3HB TRP 46 -3.390 0.141 -0.014
331 HD1 TRP 46 HD1 TRP 46 -3.501 0.274 2.470
332 HE1 TRP 46 HE1 TRP 46 -5.328 0.598 4.255
333 HE3 TRP 46 HE3 TRP 46 -7.352 1.724 -0.571
334 HZ2 TRP 46 HZ2 TRP 46 -8.045 1.567 4.360
335 HZ3 TRP 46 HZ3 TRP 46 -9.537 2.397 0.407
336 HH2 TRP 46 HH2 TRP 46 -9.886 2.329 2.866
337 H CYS 47 H CYS 47 -1.380 1.971 -1.031
338 HA CYS 47 HA CYS 47 -1.250 4.714 0.006
339 HB2 CYS 47 2HB CYS 47 0.275 4.332 1.648
340 HB3 CYS 47 3HB CYS 47 -0.363 2.703 1.618
341 H ARG 48 H ARG 48 1.330 5.252 -0.294
342 HA ARG 48 HA ARG 48 2.026 4.748 -3.109
343 HB2 ARG 48 2HB ARG 48 1.718 6.809 -3.995
344 HB3 ARG 48 3HB ARG 48 0.358 6.740 -2.918
345 HG2 ARG 48 2HG ARG 48 2.926 8.339 -2.572
346 HG3 ARG 48 3HG ARG 48 1.289 8.924 -2.866
347 HD2 ARG 48 2HD ARG 48 0.746 7.700 -0.588
348 HD3 ARG 48 3HD ARG 48 2.482 7.847 -0.301
349 HE ARG 48 HE ARG 48 0.439 9.919 -0.257
350 HH11 ARG 48 1HH1 ARG 48 3.883 9.808 -1.130
351 HH12 ARG 48 2HH1 ARG 48 4.139 11.338 -0.330
352 HH21 ARG 48 1HH2 ARG 48 0.921 11.758 0.740
353 HH22 ARG 48 2HH2 ARG 48 2.431 12.563 0.353
354 H LEU 49 H LEU 49 3.122 5.169 0.016
355 HA LEU 49 HA LEU 49 5.901 5.579 -0.959
356 HB2 LEU 49 2HB LEU 49 4.934 7.708 -0.208
357 HB3 LEU 49 3HB LEU 49 4.603 7.024 1.377
358 HG LEU 49 HG LEU 49 6.967 6.890 1.898
359 HD11 LEU 49 1HD1 LEU 49 7.957 6.354 -0.294
360 HD12 LEU 49 2HD1 LEU 49 7.430 7.922 -0.933
361 HD13 LEU 49 3HD1 LEU 49 8.665 7.842 0.336
362 HD21 LEU 49 1HD2 LEU 49 5.774 9.035 2.228
363 HD22 LEU 49 2HD2 LEU 49 7.481 9.300 1.840
364 HD23 LEU 49 3HD2 LEU 49 6.250 9.554 0.595
365 H TYR 50 H TYR 50 3.861 3.606 0.882
366 HA TYR 50 HA TYR 50 4.267 1.711 2.027
367 HB2 TYR 50 2HB TYR 50 5.601 0.204 0.591
368 HB3 TYR 50 3HB TYR 50 4.423 1.206 -0.209
369 HD1 TYR 50 HD1 TYR 50 5.032 2.947 -1.791
370 HD2 TYR 50 HD2 TYR 50 8.050 0.524 0.115
371 HE1 TYR 50 HE1 TYR 50 6.755 3.903 -3.312
372 HE2 TYR 50 HE2 TYR 50 9.745 1.400 -1.492
373 HH TYR 50 HH TYR 50 9.044 4.095 -3.696
374 H ALA 51 H ALA 51 6.692 0.101 2.124
375 HA ALA 51 HA ALA 51 8.241 1.410 4.253
376 HB1 ALA 51 1HB ALA 51 6.607 -1.111 4.756
377 HB2 ALA 51 2HB ALA 51 7.651 -0.270 5.909
378 HB3 ALA 51 3HB ALA 51 6.192 0.526 5.321
379 H GLY 52 H GLY 52 9.551 -0.748 5.347
380 HA2 GLY 52 2HA GLY 52 10.988 -2.505 5.080
381 HA3 GLY 52 3HA GLY 52 10.316 -2.795 3.486
382 H LYS 53 H LYS 53 11.431 0.354 3.589
383 HA LYS 53 HA LYS 53 13.838 -0.298 1.976
384 HB2 LYS 53 2HB LYS 53 13.606 2.032 1.124
385 HB3 LYS 53 3HB LYS 53 12.261 0.957 0.763
386 HG2 LYS 53 2HG LYS 53 10.975 2.011 2.679
387 HG3 LYS 53 3HG LYS 53 12.290 3.191 2.840
388 HD2 LYS 53 2HD LYS 53 11.839 3.931 0.482
389 HD3 LYS 53 3HD LYS 53 10.615 2.671 0.345
390 HE2 LYS 53 2HE LYS 53 9.305 4.533 0.780
391 HE3 LYS 53 3HE LYS 53 9.433 3.771 2.360
392 HZ1 LYS 53 1HZ LYS 53 10.991 6.110 1.401
393 HZ2 LYS 53 2HZ LYS 53 9.828 6.132 2.551
394 HZ3 LYS 53 3HZ LYS 53 11.255 5.392 2.855
395 H ALA 54 H ALA 54 15.781 0.767 2.223
396 HA ALA 54 HA ALA 54 17.651 0.927 3.421
397 HB1 ALA 54 1HB ALA 54 16.117 2.907 5.140
398 HB2 ALA 54 2HB ALA 54 17.879 2.720 5.060
399 HB3 ALA 54 3HB ALA 54 16.982 3.265 3.630
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