Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
564214 | 2m9w RC | 19312 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H1 SER 1 -4.519 20.224 19.526
2 H2 SER 1 H2 SER 1 -4.236 21.163 18.153
3 H3 SER 1 H3 SER 1 -3.070 20.057 18.675
4 HA SER 1 HA SER 1 -4.246 19.217 16.765
5 HB2 SER 1 HB2 SER 1 -4.989 17.031 17.839
6 HB3 SER 1 HB3 SER 1 -3.387 17.573 18.337
7 HG SER 1 HG SER 1 -4.896 16.844 20.038
8 H HIS 2 H HIS 2 -6.165 18.849 15.678
9 HA HIS 2 HA HIS 2 -8.595 20.120 16.680
10 HB2 HIS 2 HB2 HIS 2 -8.014 18.736 14.013
11 HB3 HIS 2 HB3 HIS 2 -9.484 19.629 14.388
12 HD2 HIS 2 HD2 HIS 2 -5.648 20.374 13.835
13 HE1 HIS 2 HE1 HIS 2 -7.919 23.856 13.069
14 HE2 HIS 2 HE2 HIS 2 -5.586 22.883 13.194
15 H MET 3 H MET 3 -10.606 18.991 16.988
16 HA MET 3 HA MET 3 -10.372 16.318 17.968
17 HB2 MET 3 HB2 MET 3 -12.820 16.432 18.413
18 HB3 MET 3 HB3 MET 3 -11.945 17.796 19.082
19 HG2 MET 3 HG2 MET 3 -12.771 19.243 17.315
20 HG3 MET 3 HG3 MET 3 -13.556 17.870 16.526
21 HE1 MET 3 HE1 MET 3 -16.716 19.723 17.834
22 HE2 MET 3 HE2 MET 3 -15.992 18.872 16.471
23 HE3 MET 3 HE3 MET 3 -15.289 20.389 17.041
24 H SER 4 H SER 4 -9.752 14.952 16.420
25 HA SER 4 HA SER 4 -10.924 14.812 13.774
26 HB2 SER 4 HB2 SER 4 -8.502 14.396 14.145
27 HB3 SER 4 HB3 SER 4 -8.890 12.999 15.150
28 HG SER 4 HG SER 4 -9.710 11.954 13.362
29 H ALA 5 H ALA 5 -13.070 14.166 13.919
30 HA ALA 5 HA ALA 5 -14.120 12.111 15.553
31 HB1 ALA 5 HB1 ALA 5 -16.113 12.221 14.091
32 HB2 ALA 5 HB2 ALA 5 -15.206 13.186 12.921
33 HB3 ALA 5 HB3 ALA 5 -15.544 13.834 14.525
34 H SER 6 H SER 6 -14.546 9.957 15.152
35 HA SER 6 HA SER 6 -12.660 8.596 13.432
36 HB2 SER 6 HB2 SER 6 -13.522 6.546 14.631
37 HB3 SER 6 HB3 SER 6 -12.935 7.804 15.720
38 HG SER 6 HG SER 6 -15.169 6.695 15.999
39 H ARG 7 H ARG 7 -15.431 9.942 12.620
40 HA ARG 7 HA ARG 7 -17.081 8.186 11.276
41 HB2 ARG 7 HB2 ARG 7 -17.464 10.645 11.531
42 HB3 ARG 7 HB3 ARG 7 -16.161 10.963 10.391
43 HG2 ARG 7 HG2 ARG 7 -17.591 9.550 8.715
44 HG3 ARG 7 HG3 ARG 7 -18.905 9.815 9.864
45 HD2 ARG 7 HD2 ARG 7 -17.325 11.927 8.363
46 HD3 ARG 7 HD3 ARG 7 -19.019 11.495 8.130
47 HE ARG 7 HE ARG 7 -18.890 12.291 10.744
48 HH11 ARG 7 HH11 ARG 7 -18.029 13.840 7.683
49 HH12 ARG 7 HH12 ARG 7 -18.336 15.441 8.270
50 HH21 ARG 7 HH21 ARG 7 -19.277 14.394 11.500
51 HH22 ARG 7 HH22 ARG 7 -19.055 15.755 10.448
52 H ARG 8 H ARG 8 -16.170 6.505 10.158
53 HA ARG 8 HA ARG 8 -14.314 7.133 7.947
54 HB2 ARG 8 HB2 ARG 8 -13.329 4.905 8.209
55 HB3 ARG 8 HB3 ARG 8 -13.149 5.865 9.666
56 HG2 ARG 8 HG2 ARG 8 -14.888 4.560 10.788
57 HG3 ARG 8 HG3 ARG 8 -15.198 3.654 9.306
58 HD2 ARG 8 HD2 ARG 8 -12.534 3.171 9.558
59 HD3 ARG 8 HD3 ARG 8 -12.949 3.405 11.257
60 HE ARG 8 HE ARG 8 -14.783 1.643 10.691
61 HH11 ARG 8 HH11 ARG 8 -11.487 1.634 9.427
62 HH12 ARG 8 HH12 ARG 8 -11.430 -0.089 9.247
63 HH21 ARG 8 HH21 ARG 8 -14.697 -0.623 10.443
64 HH22 ARG 8 HH22 ARG 8 -13.257 -1.372 9.826
65 H VAL 9 H VAL 9 -15.779 7.458 6.406
66 HA VAL 9 HA VAL 9 -17.806 5.391 5.783
67 HB VAL 9 HB VAL 9 -17.695 8.263 4.731
68 HG11 VAL 9 HG11 VAL 9 -20.048 7.897 4.110
69 HG12 VAL 9 HG12 VAL 9 -19.979 6.243 4.725
70 HG13 VAL 9 HG13 VAL 9 -19.004 6.711 3.330
71 HG21 VAL 9 HG21 VAL 9 -19.436 8.834 6.377
72 HG22 VAL 9 HG22 VAL 9 -17.950 8.326 7.178
73 HG23 VAL 9 HG23 VAL 9 -19.324 7.219 7.087
74 H GLY 10 H GLY 10 -17.438 4.110 4.058
75 HA2 GLY 10 HA2 GLY 10 -16.764 3.438 1.935
76 HA3 GLY 10 HA3 GLY 10 -16.055 5.023 1.661
77 H LEU 11 H LEU 11 -15.566 2.391 3.996
78 HA LEU 11 HA LEU 11 -13.812 1.244 4.801
79 HB2 LEU 11 HB2 LEU 11 -12.508 1.928 2.133
80 HB3 LEU 11 HB3 LEU 11 -11.819 0.812 3.300
81 HG LEU 11 HG LEU 11 -14.441 0.418 1.801
82 HD11 LEU 11 HD11 LEU 11 -11.782 -1.016 1.496
83 HD12 LEU 11 HD12 LEU 11 -12.477 0.146 0.360
84 HD13 LEU 11 HD13 LEU 11 -13.279 -1.398 0.640
85 HD21 LEU 11 HD21 LEU 11 -14.595 -0.563 4.031
86 HD22 LEU 11 HD22 LEU 11 -13.071 -1.423 3.792
87 HD23 LEU 11 HD23 LEU 11 -14.484 -1.830 2.812
88 H SER 12 H SER 12 -11.178 1.454 5.007
89 HA SER 12 HA SER 12 -10.290 4.236 5.238
90 HB2 SER 12 HB2 SER 12 -10.067 2.245 7.553
91 HB3 SER 12 HB3 SER 12 -9.338 3.847 7.509
92 HG SER 12 HG SER 12 -11.895 4.164 7.010
93 H CYS 13 H CYS 13 -8.127 4.394 4.714
94 HA CYS 13 HA CYS 13 -6.711 2.357 3.402
95 HB2 CYS 13 HB2 CYS 13 -6.207 4.718 3.059
96 HB3 CYS 13 HB3 CYS 13 -5.675 4.901 4.729
97 H ALA 14 H ALA 14 -5.598 0.651 4.153
98 HA ALA 14 HA ALA 14 -5.314 0.151 6.998
99 HB1 ALA 14 HB1 ALA 14 -6.060 -1.609 5.406
100 HB2 ALA 14 HB2 ALA 14 -4.606 -2.090 6.288
101 HB3 ALA 14 HB3 ALA 14 -4.483 -1.547 4.614
102 H ASN 15 H ASN 15 -3.851 2.298 6.546
103 HA ASN 15 HA ASN 15 -1.315 1.726 7.571
104 HB2 ASN 15 HB2 ASN 15 -0.577 1.234 5.310
105 HB3 ASN 15 HB3 ASN 15 -1.352 2.681 4.667
106 HD21 ASN 15 HD21 ASN 15 -0.234 4.621 4.757
107 HD22 ASN 15 HD22 ASN 15 1.338 4.807 5.429
108 H CYS 16 H CYS 16 -2.766 4.283 5.475
109 HA CYS 16 HA CYS 16 -1.760 6.328 7.304
110 HB2 CYS 16 HB2 CYS 16 -2.154 7.923 5.471
111 HB3 CYS 16 HB3 CYS 16 -1.124 6.587 4.980
112 H GLN 17 H GLN 17 -4.619 4.686 6.902
113 HA GLN 17 HA GLN 17 -6.581 4.778 7.984
114 HB2 GLN 17 HB2 GLN 17 -5.364 7.184 9.398
115 HB3 GLN 17 HB3 GLN 17 -6.899 6.457 9.861
116 HG2 GLN 17 HG2 GLN 17 -4.231 5.007 9.873
117 HG3 GLN 17 HG3 GLN 17 -4.972 5.753 11.286
118 HE21 GLN 17 HE21 GLN 17 -7.685 4.911 10.706
119 HE22 GLN 17 HE22 GLN 17 -7.743 3.213 10.997
120 H THR 18 H THR 18 -5.795 7.078 5.706
121 HA THR 18 HA THR 18 -8.061 8.814 5.920
122 HB THR 18 HB THR 18 -5.995 9.532 4.729
123 HG1 THR 18 HG1 THR 18 -7.141 10.664 3.198
124 HG21 THR 18 HG21 THR 18 -6.878 7.631 2.512
125 HG22 THR 18 HG22 THR 18 -5.424 7.455 3.499
126 HG23 THR 18 HG23 THR 18 -5.579 8.825 2.399
127 H THR 19 H THR 19 -10.023 8.642 5.037
128 HA THR 19 HA THR 19 -10.861 6.083 3.845
129 HB THR 19 HB THR 19 -13.121 6.748 4.484
130 HG1 THR 19 HG1 THR 19 -13.662 8.792 4.884
131 HG21 THR 19 HG21 THR 19 -11.727 5.842 6.324
132 HG22 THR 19 HG22 THR 19 -12.846 7.064 6.937
133 HG23 THR 19 HG23 THR 19 -11.151 7.473 6.696
134 H THR 20 H THR 20 -9.947 9.155 2.840
135 HA THR 20 HA THR 20 -11.610 9.094 0.397
136 HB THR 20 HB THR 20 -12.110 11.114 1.588
137 HG1 THR 20 HG1 THR 20 -11.780 11.451 -0.650
138 HG21 THR 20 HG21 THR 20 -9.131 11.703 1.785
139 HG22 THR 20 HG22 THR 20 -10.171 11.206 3.122
140 HG23 THR 20 HG23 THR 20 -10.435 12.761 2.329
141 H THR 21 H THR 21 -10.583 8.522 -1.384
142 HA THR 21 HA THR 21 -8.021 9.542 -2.183
143 HB THR 21 HB THR 21 -7.214 7.637 -0.812
144 HG1 THR 21 HG1 THR 21 -5.864 7.905 -2.475
145 HG21 THR 21 HG21 THR 21 -9.183 6.147 -0.962
146 HG22 THR 21 HG22 THR 21 -7.705 5.304 -1.425
147 HG23 THR 21 HG23 THR 21 -8.831 5.849 -2.668
148 H THR 22 H THR 22 -7.518 8.912 -4.425
149 HA THR 22 HA THR 22 -9.832 8.926 -6.107
150 HB THR 22 HB THR 22 -8.078 8.803 -7.980
151 HG1 THR 22 HG1 THR 22 -6.024 8.530 -7.463
152 HG21 THR 22 HG21 THR 22 -7.683 10.977 -5.889
153 HG22 THR 22 HG22 THR 22 -8.908 10.987 -7.163
154 HG23 THR 22 HG23 THR 22 -7.197 11.069 -7.583
155 H LEU 23 H LEU 23 -7.395 6.500 -5.260
156 HA LEU 23 HA LEU 23 -9.002 4.377 -6.539
157 HB2 LEU 23 HB2 LEU 23 -7.231 5.054 -8.154
158 HB3 LEU 23 HB3 LEU 23 -6.003 4.775 -6.932
159 HG LEU 23 HG LEU 23 -6.567 2.335 -6.939
160 HD11 LEU 23 HD11 LEU 23 -8.444 3.018 -9.220
161 HD12 LEU 23 HD12 LEU 23 -8.902 2.435 -7.618
162 HD13 LEU 23 HD13 LEU 23 -7.991 1.390 -8.704
163 HD21 LEU 23 HD21 LEU 23 -5.842 3.450 -9.675
164 HD22 LEU 23 HD22 LEU 23 -5.541 1.803 -9.113
165 HD23 LEU 23 HD23 LEU 23 -4.726 3.156 -8.336
166 H TRP 24 H TRP 24 -9.261 2.698 -5.192
167 HA TRP 24 HA TRP 24 -7.602 2.388 -2.799
168 HB2 TRP 24 HB2 TRP 24 -10.185 1.051 -3.707
169 HB3 TRP 24 HB3 TRP 24 -9.295 0.524 -2.281
170 HD1 TRP 24 HD1 TRP 24 -11.723 3.195 -3.439
171 HE1 TRP 24 HE1 TRP 24 -12.326 4.712 -1.456
172 HE3 TRP 24 HE3 TRP 24 -8.265 1.536 -0.061
173 HZ2 TRP 24 HZ2 TRP 24 -11.452 5.153 1.197
174 HZ3 TRP 24 HZ3 TRP 24 -8.210 2.564 2.173
175 HH2 TRP 24 HH2 TRP 24 -9.770 4.343 2.786
176 H ARG 25 H ARG 25 -5.675 1.599 -3.506
177 HA ARG 25 HA ARG 25 -5.546 -0.885 -5.050
178 HB2 ARG 25 HB2 ARG 25 -3.466 1.087 -4.059
179 HB3 ARG 25 HB3 ARG 25 -2.969 -0.552 -4.472
180 HG2 ARG 25 HG2 ARG 25 -3.964 -0.255 -6.734
181 HG3 ARG 25 HG3 ARG 25 -4.331 1.421 -6.334
182 HD2 ARG 25 HD2 ARG 25 -2.080 2.070 -6.428
183 HD3 ARG 25 HD3 ARG 25 -1.484 0.443 -6.089
184 HE ARG 25 HE ARG 25 -2.177 -0.180 -8.370
185 HH11 ARG 25 HH11 ARG 25 -1.677 3.276 -7.801
186 HH12 ARG 25 HH12 ARG 25 -1.361 3.604 -9.473
187 HH21 ARG 25 HH21 ARG 25 -1.745 0.275 -10.519
188 HH22 ARG 25 HH22 ARG 25 -1.391 1.897 -11.010
189 H ARG 26 H ARG 26 -3.793 -2.491 -4.056
190 HA ARG 26 HA ARG 26 -4.626 -3.108 -1.277
191 HB2 ARG 26 HB2 ARG 26 -4.150 -5.078 -3.566
192 HB3 ARG 26 HB3 ARG 26 -4.523 -5.523 -1.902
193 HG2 ARG 26 HG2 ARG 26 -6.351 -3.994 -3.788
194 HG3 ARG 26 HG3 ARG 26 -6.515 -5.691 -3.331
195 HD2 ARG 26 HD2 ARG 26 -6.985 -5.075 -1.016
196 HD3 ARG 26 HD3 ARG 26 -6.650 -3.378 -1.359
197 HE ARG 26 HE ARG 26 -8.733 -3.142 -2.297
198 HH11 ARG 26 HH11 ARG 26 -8.180 -6.592 -1.733
199 HH12 ARG 26 HH12 ARG 26 -9.836 -7.011 -2.035
200 HH21 ARG 26 HH21 ARG 26 -10.891 -3.732 -2.668
201 HH22 ARG 26 HH22 ARG 26 -11.362 -5.397 -2.568
202 H ASN 27 H ASN 27 -3.042 -3.666 0.135
203 HA ASN 27 HA ASN 27 -0.299 -3.109 -0.654
204 HB2 ASN 27 HB2 ASN 27 0.201 -3.171 1.748
205 HB3 ASN 27 HB3 ASN 27 -1.190 -2.150 1.438
206 HD21 ASN 27 HD21 ASN 27 -1.735 -2.344 3.661
207 HD22 ASN 27 HD22 ASN 27 -2.451 -3.778 4.292
208 H ALA 28 H ALA 28 1.091 -4.790 1.194
209 HA ALA 28 HA ALA 28 1.660 -6.997 -0.488
210 HB1 ALA 28 HB1 ALA 28 3.318 -7.626 1.221
211 HB2 ALA 28 HB2 ALA 28 2.589 -6.488 2.361
212 HB3 ALA 28 HB3 ALA 28 3.367 -5.890 0.898
213 H GLU 29 H GLU 29 -0.298 -6.655 2.407
214 HA GLU 29 HA GLU 29 -0.800 -9.521 2.692
215 HB2 GLU 29 HB2 GLU 29 -2.086 -7.157 4.138
216 HB3 GLU 29 HB3 GLU 29 -2.316 -8.851 4.545
217 HG2 GLU 29 HG2 GLU 29 -0.816 -7.903 6.145
218 HG3 GLU 29 HG3 GLU 29 0.114 -8.997 5.123
219 H GLY 30 H GLY 30 -2.007 -6.949 0.838
220 HA2 GLY 30 HA2 GLY 30 -3.656 -6.988 -0.797
221 HA3 GLY 30 HA3 GLY 30 -4.303 -8.474 -0.116
222 H GLU 31 H GLU 31 -3.689 -5.888 2.062
223 HA GLU 31 HA GLU 31 -6.475 -5.616 2.758
224 HB2 GLU 31 HB2 GLU 31 -4.096 -4.019 3.812
225 HB3 GLU 31 HB3 GLU 31 -5.680 -4.154 4.565
226 HG2 GLU 31 HG2 GLU 31 -3.628 -6.347 4.245
227 HG3 GLU 31 HG3 GLU 31 -4.070 -5.539 5.745
228 HA PRO 32 HA PRO 32 -7.405 -2.128 0.185
229 HB2 PRO 32 HB2 PRO 32 -9.344 -1.009 2.115
230 HB3 PRO 32 HB3 PRO 32 -9.657 -1.866 0.594
231 HG2 PRO 32 HG2 PRO 32 -10.208 -2.917 3.062
232 HG3 PRO 32 HG3 PRO 32 -9.870 -3.907 1.624
233 HD2 PRO 32 HD2 PRO 32 -8.050 -3.208 3.916
234 HD3 PRO 32 HD3 PRO 32 -8.201 -4.735 3.015
235 H VAL 33 H VAL 33 -5.629 -0.854 0.129
236 HA VAL 33 HA VAL 33 -5.327 1.326 2.121
237 HB VAL 33 HB VAL 33 -2.984 1.562 1.312
238 HG11 VAL 33 HG11 VAL 33 -3.634 -1.237 2.292
239 HG12 VAL 33 HG12 VAL 33 -3.427 0.201 3.294
240 HG13 VAL 33 HG13 VAL 33 -2.056 -0.447 2.392
241 HG21 VAL 33 HG21 VAL 33 -1.943 -0.173 -0.123
242 HG22 VAL 33 HG22 VAL 33 -3.231 0.679 -0.976
243 HG23 VAL 33 HG23 VAL 33 -3.521 -0.942 -0.342
244 H CYS 34 H CYS 34 -4.810 3.412 1.278
245 HA CYS 34 HA CYS 34 -6.058 4.258 -1.127
246 HB2 CYS 34 HB2 CYS 34 -5.046 6.452 -0.646
247 HB3 CYS 34 HB3 CYS 34 -5.698 5.757 0.832
248 H ASN 35 H ASN 35 -4.939 5.313 -2.935
249 HA ASN 35 HA ASN 35 -3.255 3.628 -4.338
250 HB2 ASN 35 HB2 ASN 35 -4.702 5.343 -5.386
251 HB3 ASN 35 HB3 ASN 35 -3.685 6.623 -4.738
252 HD21 ASN 35 HD21 ASN 35 -1.754 7.095 -5.745
253 HD22 ASN 35 HD22 ASN 35 -1.290 6.431 -7.270
254 H ALA 36 H ALA 36 -2.403 6.510 -2.435
255 HA ALA 36 HA ALA 36 0.317 6.759 -3.139
256 HB1 ALA 36 HB1 ALA 36 -0.998 8.552 -2.082
257 HB2 ALA 36 HB2 ALA 36 0.485 8.234 -1.179
258 HB3 ALA 36 HB3 ALA 36 -1.063 7.631 -0.579
259 H CYS 37 H CYS 37 -1.250 4.885 -0.538
260 HA CYS 37 HA CYS 37 1.206 4.127 0.789
261 HB2 CYS 37 HB2 CYS 37 -1.610 2.983 1.055
262 HB3 CYS 37 HB3 CYS 37 -0.259 2.621 2.140
263 H GLY 38 H GLY 38 -0.911 2.676 -1.615
264 HA2 GLY 38 HA2 GLY 38 0.181 0.052 -1.678
265 HA3 GLY 38 HA3 GLY 38 -0.765 0.815 -2.947
266 H LEU 39 H LEU 39 0.917 2.998 -3.509
267 HA LEU 39 HA LEU 39 2.738 1.865 -5.361
268 HB2 LEU 39 HB2 LEU 39 2.456 4.727 -4.369
269 HB3 LEU 39 HB3 LEU 39 3.503 4.252 -5.699
270 HG LEU 39 HG LEU 39 0.463 4.070 -5.654
271 HD11 LEU 39 HD11 LEU 39 2.303 5.836 -7.303
272 HD12 LEU 39 HD12 LEU 39 1.298 6.358 -5.950
273 HD13 LEU 39 HD13 LEU 39 0.540 5.766 -7.425
274 HD21 LEU 39 HD21 LEU 39 0.629 3.301 -7.988
275 HD22 LEU 39 HD22 LEU 39 1.362 2.159 -6.868
276 HD23 LEU 39 HD23 LEU 39 2.389 3.218 -7.839
277 H TYR 40 H TYR 40 3.134 3.051 -2.068
278 HA TYR 40 HA TYR 40 5.961 3.380 -2.097
279 HB2 TYR 40 HB2 TYR 40 4.278 4.333 -0.378
280 HB3 TYR 40 HB3 TYR 40 4.296 2.754 0.384
281 HD1 TYR 40 HD2 TYR 40 6.250 5.823 -0.269
282 HD2 TYR 40 HD1 TYR 40 6.295 2.012 1.656
283 HE1 TYR 40 HE2 TYR 40 8.187 6.522 1.082
284 HE2 TYR 40 HE1 TYR 40 8.220 2.715 3.015
285 HH TYR 40 HH TYR 40 9.239 5.929 3.274
286 H MET 41 H MET 41 3.869 0.595 -1.564
287 HA MET 41 HA MET 41 5.963 -1.190 -0.679
288 HB2 MET 41 HB2 MET 41 3.118 -1.692 -1.629
289 HB3 MET 41 HB3 MET 41 4.214 -2.995 -1.177
290 HG2 MET 41 HG2 MET 41 4.455 -1.821 1.076
291 HG3 MET 41 HG3 MET 41 3.064 -0.844 0.588
292 HE1 MET 41 HE1 MET 41 2.244 -2.044 3.102
293 HE2 MET 41 HE2 MET 41 3.631 -3.135 3.054
294 HE3 MET 41 HE3 MET 41 1.997 -3.784 3.215
295 H LYS 42 H LYS 42 4.472 -0.371 -3.773
296 HA LYS 42 HA LYS 42 5.756 -2.341 -5.372
297 HB2 LYS 42 HB2 LYS 42 4.363 0.283 -5.914
298 HB3 LYS 42 HB3 LYS 42 5.397 -0.345 -7.189
299 HG2 LYS 42 HG2 LYS 42 3.066 -0.993 -7.546
300 HG3 LYS 42 HG3 LYS 42 4.090 -2.406 -7.290
301 HD2 LYS 42 HD2 LYS 42 3.302 -2.331 -4.832
302 HD3 LYS 42 HD3 LYS 42 2.083 -1.173 -5.377
303 HE2 LYS 42 HE2 LYS 42 1.171 -3.459 -5.297
304 HE3 LYS 42 HE3 LYS 42 1.194 -2.855 -6.956
305 HZ1 LYS 42 HZ1 LYS 42 1.990 -5.173 -6.714
306 HZ2 LYS 42 HZ2 LYS 42 3.293 -4.618 -5.796
307 HZ3 LYS 42 HZ3 LYS 42 3.146 -4.153 -7.412
308 H LEU 43 H LEU 43 6.700 0.862 -4.264
309 HA LEU 43 HA LEU 43 9.177 1.028 -5.678
310 HB2 LEU 43 HB2 LEU 43 8.087 2.541 -3.265
311 HB3 LEU 43 HB3 LEU 43 9.597 2.949 -4.066
312 HG LEU 43 HG LEU 43 6.856 3.034 -5.388
313 HD11 LEU 43 HD11 LEU 43 7.065 4.771 -3.678
314 HD12 LEU 43 HD12 LEU 43 7.055 5.469 -5.294
315 HD13 LEU 43 HD13 LEU 43 8.575 5.333 -4.405
316 HD21 LEU 43 HD21 LEU 43 8.611 2.543 -7.006
317 HD22 LEU 43 HD22 LEU 43 9.569 3.911 -6.433
318 HD23 LEU 43 HD23 LEU 43 8.019 4.187 -7.237
319 H HIS 44 H HIS 44 8.225 -0.084 -2.414
320 HA HIS 44 HA HIS 44 11.059 -0.770 -1.815
321 HB2 HIS 44 HB2 HIS 44 9.045 0.374 0.183
322 HB3 HIS 44 HB3 HIS 44 10.730 -0.039 0.507
323 HD1 HIS 44 HD1 HIS 44 12.440 1.350 -1.290
324 HD2 HIS 44 HD2 HIS 44 8.758 3.037 -0.345
325 HE1 HIS 44 HE1 HIS 44 12.574 3.746 -2.036
326 HE2 HIS 44 HE2 HIS 44 10.431 4.778 -1.250
327 H GLY 45 H GLY 45 7.885 -1.343 -0.195
328 HA2 GLY 45 HA2 GLY 45 7.269 -3.899 -0.558
329 HA3 GLY 45 HA3 GLY 45 8.716 -4.099 0.432
330 H VAL 46 H VAL 46 8.463 -1.919 2.105
331 HA VAL 46 HA VAL 46 6.260 -2.589 3.894
332 HB VAL 46 HB VAL 46 7.286 -0.951 5.434
333 HG11 VAL 46 HG11 VAL 46 8.187 -3.229 5.473
334 HG12 VAL 46 HG12 VAL 46 9.464 -2.066 5.824
335 HG13 VAL 46 HG13 VAL 46 9.368 -2.814 4.226
336 HG21 VAL 46 HG21 VAL 46 9.267 -0.352 3.197
337 HG22 VAL 46 HG22 VAL 46 9.381 0.256 4.851
338 HG23 VAL 46 HG23 VAL 46 8.035 0.748 3.825
339 HA PRO 47 HA PRO 47 3.763 0.971 2.541
340 HB2 PRO 47 HB2 PRO 47 2.057 1.308 4.579
341 HB3 PRO 47 HB3 PRO 47 2.091 -0.242 3.708
342 HG2 PRO 47 HG2 PRO 47 3.339 0.455 6.352
343 HG3 PRO 47 HG3 PRO 47 2.419 -0.997 5.891
344 HD2 PRO 47 HD2 PRO 47 5.201 -0.857 5.920
345 HD3 PRO 47 HD3 PRO 47 4.264 -2.024 4.963
346 H ARG 48 H ARG 48 2.837 3.177 3.668
347 HA ARG 48 HA ARG 48 5.191 4.784 4.062
348 HB2 ARG 48 HB2 ARG 48 2.254 5.398 3.715
349 HB3 ARG 48 HB3 ARG 48 3.363 6.676 4.192
350 HG2 ARG 48 HG2 ARG 48 4.655 6.385 2.176
351 HG3 ARG 48 HG3 ARG 48 3.715 4.970 1.731
352 HD2 ARG 48 HD2 ARG 48 2.962 6.814 0.383
353 HD3 ARG 48 HD3 ARG 48 1.687 6.474 1.554
354 HE ARG 48 HE ARG 48 2.902 8.379 2.868
355 HH11 ARG 48 HH11 ARG 48 2.324 8.335 -0.618
356 HH12 ARG 48 HH12 ARG 48 2.269 10.064 -0.746
357 HH21 ARG 48 HH21 ARG 48 2.860 10.646 2.658
358 HH22 ARG 48 HH22 ARG 48 2.572 11.366 1.103
359 HA PRO 49 HA PRO 49 5.121 3.939 8.518
360 HB2 PRO 49 HB2 PRO 49 7.377 5.930 8.585
361 HB3 PRO 49 HB3 PRO 49 7.351 4.235 9.113
362 HG2 PRO 49 HG2 PRO 49 8.635 4.973 6.887
363 HG3 PRO 49 HG3 PRO 49 7.781 3.415 6.987
364 HD2 PRO 49 HD2 PRO 49 6.906 5.957 5.609
365 HD3 PRO 49 HD3 PRO 49 6.736 4.266 5.101
366 H LEU 50 H LEU 50 3.579 4.851 9.815
367 HA LEU 50 HA LEU 50 3.632 7.786 10.312
368 HB2 LEU 50 HB2 LEU 50 1.350 5.836 10.852
369 HB3 LEU 50 HB3 LEU 50 1.329 7.558 11.191
370 HG LEU 50 HG LEU 50 1.261 6.205 8.474
371 HD11 LEU 50 HD11 LEU 50 -0.903 7.411 8.290
372 HD12 LEU 50 HD12 LEU 50 -0.709 7.987 9.947
373 HD13 LEU 50 HD13 LEU 50 -0.868 6.258 9.622
374 HD21 LEU 50 HD21 LEU 50 2.729 8.146 8.255
375 HD22 LEU 50 HD22 LEU 50 1.522 9.183 9.020
376 HD23 LEU 50 HD23 LEU 50 1.190 8.442 7.449
377 H ALA 51 H ALA 51 2.591 4.844 12.073
378 HA ALA 51 HA ALA 51 3.389 6.052 14.636
379 HB1 ALA 51 HB1 ALA 51 1.642 3.629 14.034
380 HB2 ALA 51 HB2 ALA 51 1.063 5.258 14.389
381 HB3 ALA 51 HB3 ALA 51 1.912 4.336 15.630
382 H MET 52 H MET 52 5.438 5.036 12.887
383 HA MET 52 HA MET 52 7.437 4.032 13.017
384 HB2 MET 52 HB2 MET 52 7.161 4.801 15.466
385 HB3 MET 52 HB3 MET 52 6.771 3.138 15.855
386 HG2 MET 52 HG2 MET 52 9.384 3.829 14.498
387 HG3 MET 52 HG3 MET 52 9.197 4.004 16.239
388 HE1 MET 52 HE1 MET 52 8.498 0.289 17.331
389 HE2 MET 52 HE2 MET 52 7.275 1.478 16.897
390 HE3 MET 52 HE3 MET 52 8.661 1.959 17.877
391 H ARG 53 H ARG 53 8.516 1.766 13.486
392 HA ARG 53 HA ARG 53 7.019 -0.232 12.009
393 HB2 ARG 53 HB2 ARG 53 9.841 -0.145 13.171
394 HB3 ARG 53 HB3 ARG 53 9.240 -1.469 12.178
395 HG2 ARG 53 HG2 ARG 53 9.252 1.383 11.155
396 HG3 ARG 53 HG3 ARG 53 10.682 0.359 11.046
397 HD2 ARG 53 HD2 ARG 53 7.973 -0.379 9.881
398 HD3 ARG 53 HD3 ARG 53 9.281 0.381 8.969
399 HE ARG 53 HE ARG 53 10.638 -1.586 9.363
400 HH11 ARG 53 HH11 ARG 53 7.192 -2.042 9.979
401 HH12 ARG 53 HH12 ARG 53 7.281 -3.764 9.794
402 HH21 ARG 53 HH21 ARG 53 10.716 -3.843 9.154
403 HH22 ARG 53 HH22 ARG 53 9.265 -4.780 9.333
404 H LYS 54 H LYS 54 5.659 0.110 14.374
405 HA LYS 54 HA LYS 54 6.632 -1.620 16.496
406 HB2 LYS 54 HB2 LYS 54 5.585 0.583 17.000
407 HB3 LYS 54 HB3 LYS 54 4.070 0.023 16.299
408 HG2 LYS 54 HG2 LYS 54 3.895 -1.710 18.062
409 HG3 LYS 54 HG3 LYS 54 5.417 -1.152 18.762
410 HD2 LYS 54 HD2 LYS 54 3.468 -0.272 20.009
411 HD3 LYS 54 HD3 LYS 54 4.398 1.041 19.279
412 HE2 LYS 54 HE2 LYS 54 2.760 1.236 17.476
413 HE3 LYS 54 HE3 LYS 54 1.872 -0.159 18.093
414 HZ1 LYS 54 HZ1 LYS 54 1.330 1.065 20.073
415 HZ2 LYS 54 HZ2 LYS 54 0.859 1.967 18.723
416 HZ3 LYS 54 HZ3 LYS 54 2.256 2.388 19.576
417 H GLU 55 H GLU 55 3.599 -1.442 14.552
418 HA GLU 55 HA GLU 55 2.779 -4.060 15.591
419 HB2 GLU 55 HB2 GLU 55 1.229 -1.975 14.007
420 HB3 GLU 55 HB3 GLU 55 0.555 -3.495 14.593
421 HG2 GLU 55 HG2 GLU 55 1.115 -2.766 16.930
422 HG3 GLU 55 HG3 GLU 55 1.601 -1.203 16.275
423 H GLY 56 H GLY 56 4.911 -4.174 13.725
424 HA2 GLY 56 HA2 GLY 56 3.803 -5.574 11.399
425 HA3 GLY 56 HA3 GLY 56 5.499 -5.468 11.875
426 H ILE 57 H ILE 57 2.443 -6.705 13.227
427 HA ILE 57 HA ILE 57 3.738 -8.432 15.091
428 HB ILE 57 HB ILE 57 0.797 -8.354 14.277
429 HG12 ILE 57 HG12 ILE 57 1.539 -6.131 15.060
430 HG13 ILE 57 HG13 ILE 57 0.442 -6.858 16.223
431 HG21 ILE 57 HG21 ILE 57 0.354 -9.344 16.505
432 HG22 ILE 57 HG22 ILE 57 2.091 -9.483 16.785
433 HG23 ILE 57 HG23 ILE 57 1.327 -10.408 15.490
434 HD11 ILE 57 HD11 ILE 57 3.447 -6.654 16.482
435 HD12 ILE 57 HD12 ILE 57 2.376 -7.437 17.649
436 HD13 ILE 57 HD13 ILE 57 2.237 -5.707 17.345
437 H GLN 58 H GLN 58 4.225 -10.555 14.938
438 HA GLN 58 HA GLN 58 3.665 -11.973 12.378
439 HB2 GLN 58 HB2 GLN 58 5.931 -12.925 12.561
440 HB3 GLN 58 HB3 GLN 58 6.006 -11.166 12.576
441 HG2 GLN 58 HG2 GLN 58 6.328 -11.180 15.018
442 HG3 GLN 58 HG3 GLN 58 6.173 -12.936 15.036
443 HE21 GLN 58 HE21 GLN 58 8.182 -13.354 15.864
444 HE22 GLN 58 HE22 GLN 58 9.663 -13.031 15.030
445 H THR 59 H THR 59 2.111 -12.157 14.901
446 HA THR 59 HA THR 59 2.909 -14.621 16.230
447 HB THR 59 HB THR 59 0.877 -14.170 17.659
448 HG1 THR 59 HG1 THR 59 -0.508 -13.031 16.437
449 HG21 THR 59 HG21 THR 59 2.776 -11.811 17.354
450 HG22 THR 59 HG22 THR 59 3.077 -13.254 18.327
451 HG23 THR 59 HG23 THR 59 1.770 -12.153 18.765
452 H ARG 60 H ARG 60 2.435 -15.300 13.641
453 HA ARG 60 HA ARG 60 1.566 -16.984 12.416
454 HB2 ARG 60 HB2 ARG 60 1.850 -18.078 14.728
455 HB3 ARG 60 HB3 ARG 60 0.110 -17.897 14.924
456 HG2 ARG 60 HG2 ARG 60 -0.271 -19.341 12.951
457 HG3 ARG 60 HG3 ARG 60 1.475 -19.489 12.715
458 HD2 ARG 60 HD2 ARG 60 1.671 -20.564 14.932
459 HD3 ARG 60 HD3 ARG 60 -0.079 -20.441 15.142
460 HE ARG 60 HE ARG 60 0.479 -21.817 12.743
461 HH11 ARG 60 HH11 ARG 60 0.652 -22.338 16.221
462 HH12 ARG 60 HH12 ARG 60 0.493 -24.060 16.085
463 HH21 ARG 60 HH21 ARG 60 0.321 -24.069 12.591
464 HH22 ARG 60 HH22 ARG 60 0.308 -25.038 14.028
465 H LYS 61 H LYS 61 0.043 -14.432 12.753
466 HA LYS 61 HA LYS 61 -2.758 -15.084 12.574
467 HB2 LYS 61 HB2 LYS 61 -3.046 -12.631 12.122
468 HB3 LYS 61 HB3 LYS 61 -2.225 -13.012 13.628
469 HG2 LYS 61 HG2 LYS 61 -0.029 -12.514 12.446
470 HG3 LYS 61 HG3 LYS 61 -0.980 -11.923 11.081
471 HD2 LYS 61 HD2 LYS 61 -0.965 -10.810 13.912
472 HD3 LYS 61 HD3 LYS 61 -0.269 -10.049 12.481
473 HE2 LYS 61 HE2 LYS 61 -3.223 -10.535 13.017
474 HE3 LYS 61 HE3 LYS 61 -2.386 -8.986 13.046
475 HZ1 LYS 61 HZ1 LYS 61 -1.903 -9.319 10.645
476 HZ2 LYS 61 HZ2 LYS 61 -3.548 -9.180 10.994
477 HZ3 LYS 61 HZ3 LYS 61 -2.883 -10.697 10.664
478 H ARG 62 H ARG 62 -3.268 -16.298 10.891
479 HA ARG 62 HA ARG 62 -2.216 -16.361 8.307
480 HB2 ARG 62 HB2 ARG 62 -3.541 -18.181 9.292
481 HB3 ARG 62 HB3 ARG 62 -4.977 -17.179 9.329
482 HG2 ARG 62 HG2 ARG 62 -3.698 -17.765 6.659
483 HG3 ARG 62 HG3 ARG 62 -4.615 -19.041 7.456
484 HD2 ARG 62 HD2 ARG 62 -6.597 -17.539 7.540
485 HD3 ARG 62 HD3 ARG 62 -5.678 -16.295 6.687
486 HE ARG 62 HE ARG 62 -5.452 -18.252 4.931
487 HH11 ARG 62 HH11 ARG 62 -8.343 -17.355 6.744
488 HH12 ARG 62 HH12 ARG 62 -9.430 -17.900 5.511
489 HH21 ARG 62 HH21 ARG 62 -6.897 -18.959 3.324
490 HH22 ARG 62 HH22 ARG 62 -8.607 -18.811 3.566
491 H LYS 63 H LYS 63 -4.905 -14.480 9.602
492 HA LYS 63 HA LYS 63 -5.097 -12.885 7.117
493 HB2 LYS 63 HB2 LYS 63 -7.214 -13.897 8.155
494 HB3 LYS 63 HB3 LYS 63 -6.972 -12.854 9.544
495 HG2 LYS 63 HG2 LYS 63 -7.295 -11.731 6.742
496 HG3 LYS 63 HG3 LYS 63 -8.688 -12.129 7.747
497 HD2 LYS 63 HD2 LYS 63 -7.960 -10.513 9.442
498 HD3 LYS 63 HD3 LYS 63 -6.500 -10.164 8.515
499 HE2 LYS 63 HE2 LYS 63 -9.345 -9.606 7.608
500 HE3 LYS 63 HE3 LYS 63 -8.194 -8.411 8.208
501 HZ1 LYS 63 HZ1 LYS 63 -7.743 -10.073 5.778
502 HZ2 LYS 63 HZ2 LYS 63 -6.784 -8.789 6.315
503 HZ3 LYS 63 HZ3 LYS 63 -8.345 -8.496 5.751
Start of MODEL 2
1 H1 SER 1 H1 SER 1 -23.070 33.293 0.499
2 H2 SER 1 H2 SER 1 -21.491 33.176 1.093
3 H3 SER 1 H3 SER 1 -22.789 32.639 2.031
4 HA SER 1 HA SER 1 -23.288 30.912 0.453
5 HB2 SER 1 HB2 SER 1 -20.764 31.839 -1.013
6 HB3 SER 1 HB3 SER 1 -21.840 30.521 -1.491
7 HG SER 1 HG SER 1 -23.480 32.038 -1.835
8 H HIS 2 H HIS 2 -22.530 28.869 0.990
9 HA HIS 2 HA HIS 2 -19.806 28.508 1.994
10 HB2 HIS 2 HB2 HIS 2 -21.166 28.997 4.039
11 HB3 HIS 2 HB3 HIS 2 -22.235 27.656 3.641
12 HD2 HIS 2 HD2 HIS 2 -21.507 25.359 4.915
13 HE1 HIS 2 HE1 HIS 2 -17.419 26.318 5.423
14 HE2 HIS 2 HE2 HIS 2 -19.231 24.623 5.920
15 H MET 3 H MET 3 -19.001 26.489 1.558
16 HA MET 3 HA MET 3 -20.237 25.094 -0.601
17 HB2 MET 3 HB2 MET 3 -17.801 25.437 -0.438
18 HB3 MET 3 HB3 MET 3 -17.736 24.450 1.016
19 HG2 MET 3 HG2 MET 3 -16.934 23.246 -0.986
20 HG3 MET 3 HG3 MET 3 -18.335 22.462 -0.258
21 HE1 MET 3 HE1 MET 3 -17.051 24.680 -3.272
22 HE2 MET 3 HE2 MET 3 -18.304 25.699 -2.561
23 HE3 MET 3 HE3 MET 3 -18.556 24.971 -4.147
24 H SER 4 H SER 4 -20.990 23.004 -0.728
25 HA SER 4 HA SER 4 -22.294 21.870 1.567
26 HB2 SER 4 HB2 SER 4 -22.032 20.745 -1.261
27 HB3 SER 4 HB3 SER 4 -23.210 20.252 -0.040
28 HG SER 4 HG SER 4 -23.922 22.513 -0.096
29 H ALA 5 H ALA 5 -21.830 19.946 2.621
30 HA ALA 5 HA ALA 5 -19.087 19.086 2.741
31 HB1 ALA 5 HB1 ALA 5 -21.559 18.020 4.162
32 HB2 ALA 5 HB2 ALA 5 -20.483 19.282 4.760
33 HB3 ALA 5 HB3 ALA 5 -19.883 17.636 4.573
34 H SER 6 H SER 6 -18.156 17.222 1.960
35 HA SER 6 HA SER 6 -19.326 15.750 -0.158
36 HB2 SER 6 HB2 SER 6 -16.837 15.180 1.512
37 HB3 SER 6 HB3 SER 6 -17.264 14.309 0.034
38 HG SER 6 HG SER 6 -15.860 16.457 0.144
39 H ARG 7 H ARG 7 -20.028 13.605 -0.273
40 HA ARG 7 HA ARG 7 -20.325 12.023 2.159
41 HB2 ARG 7 HB2 ARG 7 -22.785 11.607 1.635
42 HB3 ARG 7 HB3 ARG 7 -22.392 13.189 2.293
43 HG2 ARG 7 HG2 ARG 7 -22.595 14.199 0.063
44 HG3 ARG 7 HG3 ARG 7 -22.910 12.610 -0.642
45 HD2 ARG 7 HD2 ARG 7 -24.987 13.909 -0.325
46 HD3 ARG 7 HD3 ARG 7 -24.999 12.424 0.625
47 HE ARG 7 HE ARG 7 -24.300 13.897 2.563
48 HH11 ARG 7 HH11 ARG 7 -26.267 15.190 -0.059
49 HH12 ARG 7 HH12 ARG 7 -26.996 16.404 0.940
50 HH21 ARG 7 HH21 ARG 7 -25.283 15.500 3.840
51 HH22 ARG 7 HH22 ARG 7 -26.442 16.579 3.136
52 H ARG 8 H ARG 8 -18.918 10.571 1.324
53 HA ARG 8 HA ARG 8 -20.155 8.493 -0.269
54 HB2 ARG 8 HB2 ARG 8 -18.954 9.874 -2.013
55 HB3 ARG 8 HB3 ARG 8 -17.442 9.612 -1.154
56 HG2 ARG 8 HG2 ARG 8 -17.572 8.110 -3.069
57 HG3 ARG 8 HG3 ARG 8 -17.638 7.161 -1.582
58 HD2 ARG 8 HD2 ARG 8 -20.082 6.946 -1.816
59 HD3 ARG 8 HD3 ARG 8 -20.042 7.953 -3.268
60 HE ARG 8 HE ARG 8 -18.404 5.552 -3.369
61 HH11 ARG 8 HH11 ARG 8 -21.559 6.937 -4.109
62 HH12 ARG 8 HH12 ARG 8 -21.951 5.718 -5.278
63 HH21 ARG 8 HH21 ARG 8 -18.941 3.965 -4.925
64 HH22 ARG 8 HH22 ARG 8 -20.472 4.042 -5.739
65 H VAL 9 H VAL 9 -20.076 7.176 1.496
66 HA VAL 9 HA VAL 9 -17.570 6.713 2.954
67 HB VAL 9 HB VAL 9 -20.321 5.416 3.335
68 HG11 VAL 9 HG11 VAL 9 -19.468 4.637 5.516
69 HG12 VAL 9 HG12 VAL 9 -17.882 5.327 5.167
70 HG13 VAL 9 HG13 VAL 9 -18.498 3.992 4.192
71 HG21 VAL 9 HG21 VAL 9 -19.052 7.699 4.910
72 HG22 VAL 9 HG22 VAL 9 -20.588 6.911 5.283
73 HG23 VAL 9 HG23 VAL 9 -20.416 7.831 3.792
74 H GLY 10 H GLY 10 -16.196 5.144 2.325
75 HA2 GLY 10 HA2 GLY 10 -17.164 2.835 0.717
76 HA3 GLY 10 HA3 GLY 10 -15.723 3.749 0.273
77 H LEU 11 H LEU 11 -13.913 2.712 0.823
78 HA LEU 11 HA LEU 11 -13.791 0.991 3.225
79 HB2 LEU 11 HB2 LEU 11 -11.889 1.252 0.845
80 HB3 LEU 11 HB3 LEU 11 -11.679 0.124 2.179
81 HG LEU 11 HG LEU 11 -14.048 0.076 0.258
82 HD11 LEU 11 HD11 LEU 11 -13.034 -1.888 -0.782
83 HD12 LEU 11 HD12 LEU 11 -11.616 -1.735 0.256
84 HD13 LEU 11 HD13 LEU 11 -11.974 -0.484 -0.934
85 HD21 LEU 11 HD21 LEU 11 -14.513 -2.152 1.225
86 HD22 LEU 11 HD22 LEU 11 -14.617 -0.872 2.432
87 HD23 LEU 11 HD23 LEU 11 -13.197 -1.921 2.381
88 H SER 12 H SER 12 -11.278 1.071 4.088
89 HA SER 12 HA SER 12 -10.372 3.891 4.262
90 HB2 SER 12 HB2 SER 12 -10.535 1.936 6.605
91 HB3 SER 12 HB3 SER 12 -9.831 3.552 6.663
92 HG SER 12 HG SER 12 -12.281 3.734 5.650
93 H CYS 13 H CYS 13 -8.170 4.131 4.129
94 HA CYS 13 HA CYS 13 -6.479 2.177 3.050
95 HB2 CYS 13 HB2 CYS 13 -6.141 4.612 2.806
96 HB3 CYS 13 HB3 CYS 13 -5.753 4.745 4.516
97 H ALA 14 H ALA 14 -5.760 0.378 4.061
98 HA ALA 14 HA ALA 14 -5.433 0.228 6.950
99 HB1 ALA 14 HB1 ALA 14 -4.771 -1.806 4.787
100 HB2 ALA 14 HB2 ALA 14 -6.296 -1.700 5.679
101 HB3 ALA 14 HB3 ALA 14 -4.794 -2.106 6.517
102 H ASN 15 H ASN 15 -3.904 2.177 6.588
103 HA ASN 15 HA ASN 15 -1.192 1.526 6.933
104 HB2 ASN 15 HB2 ASN 15 -1.569 1.169 4.358
105 HB3 ASN 15 HB3 ASN 15 -1.654 2.919 4.256
106 HD21 ASN 15 HD21 ASN 15 0.477 3.324 6.314
107 HD22 ASN 15 HD22 ASN 15 1.932 2.889 5.537
108 H CYS 16 H CYS 16 -3.380 4.050 5.597
109 HA CYS 16 HA CYS 16 -2.245 6.020 7.504
110 HB2 CYS 16 HB2 CYS 16 -2.517 7.776 5.779
111 HB3 CYS 16 HB3 CYS 16 -1.393 6.523 5.278
112 H GLN 17 H GLN 17 -4.994 4.413 6.448
113 HA GLN 17 HA GLN 17 -7.121 4.355 7.108
114 HB2 GLN 17 HB2 GLN 17 -6.152 6.241 9.282
115 HB3 GLN 17 HB3 GLN 17 -7.741 5.474 9.274
116 HG2 GLN 17 HG2 GLN 17 -6.668 3.245 9.326
117 HG3 GLN 17 HG3 GLN 17 -5.082 4.010 9.337
118 HE21 GLN 17 HE21 GLN 17 -4.349 4.997 11.228
119 HE22 GLN 17 HE22 GLN 17 -5.116 4.767 12.759
120 H THR 18 H THR 18 -6.140 6.651 5.268
121 HA THR 18 HA THR 18 -8.283 8.566 5.462
122 HB THR 18 HB THR 18 -6.202 9.243 4.348
123 HG1 THR 18 HG1 THR 18 -7.681 10.503 3.508
124 HG21 THR 18 HG21 THR 18 -5.581 8.455 2.107
125 HG22 THR 18 HG22 THR 18 -6.907 7.291 2.118
126 HG23 THR 18 HG23 THR 18 -5.560 7.110 3.247
127 H THR 19 H THR 19 -10.273 8.414 4.664
128 HA THR 19 HA THR 19 -11.155 6.062 3.155
129 HB THR 19 HB THR 19 -13.450 7.049 3.583
130 HG1 THR 19 HG1 THR 19 -12.178 8.875 5.348
131 HG21 THR 19 HG21 THR 19 -12.502 5.412 5.195
132 HG22 THR 19 HG22 THR 19 -13.494 6.624 6.012
133 HG23 THR 19 HG23 THR 19 -11.735 6.739 6.078
134 H THR 20 H THR 20 -10.018 9.185 2.510
135 HA THR 20 HA THR 20 -11.568 9.558 0.023
136 HB THR 20 HB THR 20 -10.496 11.883 0.069
137 HG1 THR 20 HG1 THR 20 -8.869 10.927 1.759
138 HG21 THR 20 HG21 THR 20 -12.168 11.127 2.501
139 HG22 THR 20 HG22 THR 20 -12.791 11.566 0.908
140 HG23 THR 20 HG23 THR 20 -11.940 12.765 1.884
141 H THR 21 H THR 21 -10.593 8.445 -1.615
142 HA THR 21 HA THR 21 -8.121 9.407 -2.680
143 HB THR 21 HB THR 21 -7.104 7.745 -1.180
144 HG1 THR 21 HG1 THR 21 -6.651 6.202 -3.313
145 HG21 THR 21 HG21 THR 21 -8.855 5.666 -2.536
146 HG22 THR 21 HG22 THR 21 -9.019 6.223 -0.869
147 HG23 THR 21 HG23 THR 21 -7.577 5.337 -1.364
148 H THR 22 H THR 22 -7.914 8.887 -4.894
149 HA THR 22 HA THR 22 -10.407 8.151 -6.211
150 HB THR 22 HB THR 22 -9.171 8.901 -8.291
151 HG1 THR 22 HG1 THR 22 -7.059 8.835 -8.051
152 HG21 THR 22 HG21 THR 22 -9.112 11.310 -7.705
153 HG22 THR 22 HG22 THR 22 -9.170 10.898 -5.990
154 HG23 THR 22 HG23 THR 22 -10.545 10.532 -7.037
155 H LEU 23 H LEU 23 -7.833 6.363 -5.115
156 HA LEU 23 HA LEU 23 -8.497 4.112 -6.831
157 HB2 LEU 23 HB2 LEU 23 -6.632 5.113 -8.068
158 HB3 LEU 23 HB3 LEU 23 -5.654 5.187 -6.613
159 HG LEU 23 HG LEU 23 -5.602 2.673 -6.555
160 HD11 LEU 23 HD11 LEU 23 -7.665 2.169 -7.751
161 HD12 LEU 23 HD12 LEU 23 -6.293 1.374 -8.520
162 HD13 LEU 23 HD13 LEU 23 -6.992 2.827 -9.245
163 HD21 LEU 23 HD21 LEU 23 -4.017 2.385 -8.410
164 HD22 LEU 23 HD22 LEU 23 -3.747 3.904 -7.567
165 HD23 LEU 23 HD23 LEU 23 -4.562 3.901 -9.134
166 H TRP 24 H TRP 24 -8.766 2.422 -5.562
167 HA TRP 24 HA TRP 24 -7.392 2.159 -2.970
168 HB2 TRP 24 HB2 TRP 24 -9.858 0.789 -4.147
169 HB3 TRP 24 HB3 TRP 24 -9.097 0.268 -2.646
170 HD1 TRP 24 HD1 TRP 24 -11.726 2.626 -3.856
171 HE1 TRP 24 HE1 TRP 24 -12.441 4.210 -1.956
172 HE3 TRP 24 HE3 TRP 24 -7.953 1.673 -0.533
173 HZ2 TRP 24 HZ2 TRP 24 -11.536 4.946 0.614
174 HZ3 TRP 24 HZ3 TRP 24 -7.948 2.867 1.612
175 HH2 TRP 24 HH2 TRP 24 -9.705 4.472 2.172
176 H ARG 25 H ARG 25 -5.503 1.105 -3.171
177 HA ARG 25 HA ARG 25 -5.286 -1.286 -4.903
178 HB2 ARG 25 HB2 ARG 25 -3.092 0.348 -3.529
179 HB3 ARG 25 HB3 ARG 25 -2.819 -1.104 -4.493
180 HG2 ARG 25 HG2 ARG 25 -3.865 0.115 -6.461
181 HG3 ARG 25 HG3 ARG 25 -3.859 1.574 -5.462
182 HD2 ARG 25 HD2 ARG 25 -1.905 1.556 -6.921
183 HD3 ARG 25 HD3 ARG 25 -1.392 1.397 -5.239
184 HE ARG 25 HE ARG 25 -1.013 -0.974 -5.629
185 HH11 ARG 25 HH11 ARG 25 -1.361 0.992 -8.554
186 HH12 ARG 25 HH12 ARG 25 -0.534 -0.158 -9.550
187 HH21 ARG 25 HH21 ARG 25 0.031 -2.478 -6.980
188 HH22 ARG 25 HH22 ARG 25 0.253 -2.123 -8.662
189 H ARG 26 H ARG 26 -3.686 -2.937 -3.794
190 HA ARG 26 HA ARG 26 -4.631 -3.533 -1.041
191 HB2 ARG 26 HB2 ARG 26 -4.221 -5.281 -3.483
192 HB3 ARG 26 HB3 ARG 26 -3.822 -5.982 -1.922
193 HG2 ARG 26 HG2 ARG 26 -6.108 -6.544 -2.713
194 HG3 ARG 26 HG3 ARG 26 -6.088 -5.761 -1.137
195 HD2 ARG 26 HD2 ARG 26 -6.805 -3.647 -2.147
196 HD3 ARG 26 HD3 ARG 26 -6.729 -4.364 -3.759
197 HE ARG 26 HE ARG 26 -8.793 -5.228 -3.411
198 HH11 ARG 26 HH11 ARG 26 -7.497 -4.617 -0.186
199 HH12 ARG 26 HH12 ARG 26 -8.971 -5.065 0.603
200 HH21 ARG 26 HH21 ARG 26 -10.696 -5.805 -2.332
201 HH22 ARG 26 HH22 ARG 26 -10.763 -5.736 -0.599
202 H ASN 27 H ASN 27 -3.093 -3.702 0.505
203 HA ASN 27 HA ASN 27 -0.288 -3.407 -0.093
204 HB2 ASN 27 HB2 ASN 27 0.033 -3.487 2.363
205 HB3 ASN 27 HB3 ASN 27 -1.213 -2.335 1.912
206 HD21 ASN 27 HD21 ASN 27 -1.914 -2.439 4.120
207 HD22 ASN 27 HD22 ASN 27 -2.864 -3.762 4.690
208 H ALA 28 H ALA 28 0.986 -5.075 1.714
209 HA ALA 28 HA ALA 28 1.351 -7.423 0.181
210 HB1 ALA 28 HB1 ALA 28 3.143 -6.387 1.502
211 HB2 ALA 28 HB2 ALA 28 2.950 -8.090 1.922
212 HB3 ALA 28 HB3 ALA 28 2.325 -6.832 2.997
213 H GLU 29 H GLU 29 -0.701 -6.746 2.887
214 HA GLU 29 HA GLU 29 -1.272 -9.535 3.576
215 HB2 GLU 29 HB2 GLU 29 -2.587 -6.977 4.589
216 HB3 GLU 29 HB3 GLU 29 -2.627 -8.570 5.350
217 HG2 GLU 29 HG2 GLU 29 -0.250 -8.437 5.863
218 HG3 GLU 29 HG3 GLU 29 -0.103 -6.929 4.968
219 H GLY 30 H GLY 30 -2.415 -7.191 1.356
220 HA2 GLY 30 HA2 GLY 30 -4.070 -7.434 -0.281
221 HA3 GLY 30 HA3 GLY 30 -4.741 -8.799 0.602
222 H GLU 31 H GLU 31 -4.124 -6.122 2.560
223 HA GLU 31 HA GLU 31 -6.907 -5.478 2.967
224 HB2 GLU 31 HB2 GLU 31 -4.372 -4.266 4.157
225 HB3 GLU 31 HB3 GLU 31 -6.007 -3.927 4.703
226 HG2 GLU 31 HG2 GLU 31 -4.595 -6.600 4.848
227 HG3 GLU 31 HG3 GLU 31 -4.875 -5.503 6.197
228 HA PRO 32 HA PRO 32 -7.103 -2.169 0.014
229 HB2 PRO 32 HB2 PRO 32 -9.208 -0.689 0.917
230 HB3 PRO 32 HB3 PRO 32 -9.413 -2.349 0.318
231 HG2 PRO 32 HG2 PRO 32 -9.287 -1.367 3.147
232 HG3 PRO 32 HG3 PRO 32 -10.363 -2.584 2.423
233 HD2 PRO 32 HD2 PRO 32 -8.095 -3.221 3.874
234 HD3 PRO 32 HD3 PRO 32 -8.801 -4.276 2.631
235 H VAL 33 H VAL 33 -5.164 -1.019 0.192
236 HA VAL 33 HA VAL 33 -5.057 1.318 2.010
237 HB VAL 33 HB VAL 33 -2.690 1.558 1.311
238 HG11 VAL 33 HG11 VAL 33 -1.816 -0.441 2.462
239 HG12 VAL 33 HG12 VAL 33 -3.381 -1.240 2.282
240 HG13 VAL 33 HG13 VAL 33 -3.236 0.209 3.283
241 HG21 VAL 33 HG21 VAL 33 -1.564 -0.199 -0.046
242 HG22 VAL 33 HG22 VAL 33 -2.800 0.643 -0.980
243 HG23 VAL 33 HG23 VAL 33 -3.125 -0.971 -0.345
244 H CYS 34 H CYS 34 -4.566 3.405 1.132
245 HA CYS 34 HA CYS 34 -5.801 4.138 -1.339
246 HB2 CYS 34 HB2 CYS 34 -4.931 6.413 -0.799
247 HB3 CYS 34 HB3 CYS 34 -5.726 5.673 0.587
248 H ASN 35 H ASN 35 -4.528 5.505 -2.996
249 HA ASN 35 HA ASN 35 -2.563 3.855 -4.216
250 HB2 ASN 35 HB2 ASN 35 -4.114 5.356 -5.515
251 HB3 ASN 35 HB3 ASN 35 -3.219 6.755 -4.923
252 HD21 ASN 35 HD21 ASN 35 -2.278 7.481 -6.756
253 HD22 ASN 35 HD22 ASN 35 -1.221 6.574 -7.774
254 H ALA 36 H ALA 36 -2.335 6.829 -2.286
255 HA ALA 36 HA ALA 36 0.380 7.477 -2.736
256 HB1 ALA 36 HB1 ALA 36 0.204 8.825 -0.685
257 HB2 ALA 36 HB2 ALA 36 -1.303 7.999 -0.263
258 HB3 ALA 36 HB3 ALA 36 -1.222 9.021 -1.700
259 H CYS 37 H CYS 37 -1.120 5.186 -0.548
260 HA CYS 37 HA CYS 37 1.350 4.446 0.840
261 HB2 CYS 37 HB2 CYS 37 -1.468 3.249 0.956
262 HB3 CYS 37 HB3 CYS 37 -0.140 2.838 2.035
263 H GLY 38 H GLY 38 -0.668 3.341 -1.782
264 HA2 GLY 38 HA2 GLY 38 0.249 0.645 -1.974
265 HA3 GLY 38 HA3 GLY 38 -0.692 1.519 -3.169
266 H LEU 39 H LEU 39 1.129 3.641 -3.581
267 HA LEU 39 HA LEU 39 2.937 2.535 -5.482
268 HB2 LEU 39 HB2 LEU 39 2.605 5.363 -4.409
269 HB3 LEU 39 HB3 LEU 39 3.775 4.944 -5.654
270 HG LEU 39 HG LEU 39 0.749 4.661 -5.933
271 HD11 LEU 39 HD11 LEU 39 2.635 6.693 -7.186
272 HD12 LEU 39 HD12 LEU 39 1.455 7.012 -5.912
273 HD13 LEU 39 HD13 LEU 39 0.907 6.536 -7.516
274 HD21 LEU 39 HD21 LEU 39 2.951 4.164 -7.974
275 HD22 LEU 39 HD22 LEU 39 1.218 4.154 -8.308
276 HD23 LEU 39 HD23 LEU 39 1.908 2.943 -7.234
277 H TYR 40 H TYR 40 3.218 3.695 -2.179
278 HA TYR 40 HA TYR 40 6.042 3.849 -1.989
279 HB2 TYR 40 HB2 TYR 40 4.350 4.819 -0.346
280 HB3 TYR 40 HB3 TYR 40 4.071 3.198 0.269
281 HD1 TYR 40 HD1 TYR 40 6.024 1.968 1.411
282 HD2 TYR 40 HD2 TYR 40 6.214 6.129 0.448
283 HE1 TYR 40 HE1 TYR 40 7.861 2.267 3.012
284 HE2 TYR 40 HE2 TYR 40 8.058 6.416 2.040
285 HH TYR 40 HH TYR 40 9.685 3.764 3.475
286 H MET 41 H MET 41 3.735 1.196 -1.284
287 HA MET 41 HA MET 41 5.739 -0.733 -0.577
288 HB2 MET 41 HB2 MET 41 3.411 -0.955 0.197
289 HB3 MET 41 HB3 MET 41 2.848 -1.142 -1.457
290 HG2 MET 41 HG2 MET 41 3.883 -3.293 -1.659
291 HG3 MET 41 HG3 MET 41 4.783 -3.078 -0.156
292 HE1 MET 41 HE1 MET 41 2.045 -3.382 2.563
293 HE2 MET 41 HE2 MET 41 2.619 -1.879 1.844
294 HE3 MET 41 HE3 MET 41 3.763 -3.172 2.220
295 H LYS 42 H LYS 42 4.240 0.228 -3.630
296 HA LYS 42 HA LYS 42 5.155 -1.901 -5.274
297 HB2 LYS 42 HB2 LYS 42 3.377 -0.208 -5.874
298 HB3 LYS 42 HB3 LYS 42 4.620 1.015 -6.053
299 HG2 LYS 42 HG2 LYS 42 4.618 -1.508 -7.740
300 HG3 LYS 42 HG3 LYS 42 3.659 -0.095 -8.177
301 HD2 LYS 42 HD2 LYS 42 5.725 1.276 -8.274
302 HD3 LYS 42 HD3 LYS 42 6.683 -0.145 -7.849
303 HE2 LYS 42 HE2 LYS 42 6.785 0.247 -10.250
304 HE3 LYS 42 HE3 LYS 42 5.924 -1.260 -9.934
305 HZ1 LYS 42 HZ1 LYS 42 4.721 1.365 -10.623
306 HZ2 LYS 42 HZ2 LYS 42 3.832 -0.007 -10.203
307 HZ3 LYS 42 HZ3 LYS 42 4.778 -0.013 -11.601
308 H LEU 43 H LEU 43 6.572 1.208 -4.345
309 HA LEU 43 HA LEU 43 8.875 0.991 -6.053
310 HB2 LEU 43 HB2 LEU 43 8.124 2.960 -3.854
311 HB3 LEU 43 HB3 LEU 43 9.566 3.116 -4.837
312 HG LEU 43 HG LEU 43 6.719 3.193 -5.920
313 HD11 LEU 43 HD11 LEU 43 8.653 5.494 -5.472
314 HD12 LEU 43 HD12 LEU 43 7.182 5.166 -4.552
315 HD13 LEU 43 HD13 LEU 43 7.069 5.598 -6.253
316 HD21 LEU 43 HD21 LEU 43 7.728 3.953 -8.034
317 HD22 LEU 43 HD22 LEU 43 8.284 2.340 -7.601
318 HD23 LEU 43 HD23 LEU 43 9.345 3.729 -7.354
319 H HIS 44 H HIS 44 8.167 0.224 -2.673
320 HA HIS 44 HA HIS 44 11.067 -0.171 -2.117
321 HB2 HIS 44 HB2 HIS 44 8.963 0.709 -0.086
322 HB3 HIS 44 HB3 HIS 44 10.710 0.607 0.151
323 HD1 HIS 44 HD1 HIS 44 11.888 2.161 -2.096
324 HD2 HIS 44 HD2 HIS 44 8.341 3.357 -0.298
325 HE1 HIS 44 HE1 HIS 44 11.627 4.594 -2.665
326 HE2 HIS 44 HE2 HIS 44 9.610 5.332 -1.365
327 H GLY 45 H GLY 45 7.782 -1.242 -1.113
328 HA2 GLY 45 HA2 GLY 45 7.281 -3.630 -1.206
329 HA3 GLY 45 HA3 GLY 45 8.902 -3.965 -0.620
330 H VAL 46 H VAL 46 7.478 -1.316 0.972
331 HA VAL 46 HA VAL 46 6.506 -2.966 3.232
332 HB VAL 46 HB VAL 46 7.556 -1.316 4.829
333 HG11 VAL 46 HG11 VAL 46 8.628 -3.490 4.460
334 HG12 VAL 46 HG12 VAL 46 9.845 -2.242 4.727
335 HG13 VAL 46 HG13 VAL 46 9.536 -2.837 3.093
336 HG21 VAL 46 HG21 VAL 46 9.398 0.143 4.044
337 HG22 VAL 46 HG22 VAL 46 7.869 0.574 3.278
338 HG23 VAL 46 HG23 VAL 46 9.074 -0.343 2.373
339 HA PRO 47 HA PRO 47 3.071 0.015 3.476
340 HB2 PRO 47 HB2 PRO 47 3.318 -0.208 6.477
341 HB3 PRO 47 HB3 PRO 47 1.916 -0.529 5.431
342 HG2 PRO 47 HG2 PRO 47 3.245 -2.537 6.562
343 HG3 PRO 47 HG3 PRO 47 2.630 -2.686 4.895
344 HD2 PRO 47 HD2 PRO 47 5.444 -2.084 5.827
345 HD3 PRO 47 HD3 PRO 47 4.892 -3.185 4.544
346 H ARG 48 H ARG 48 2.856 2.223 3.796
347 HA ARG 48 HA ARG 48 5.213 3.771 4.034
348 HB2 ARG 48 HB2 ARG 48 3.196 4.302 2.612
349 HB3 ARG 48 HB3 ARG 48 2.324 4.738 4.075
350 HG2 ARG 48 HG2 ARG 48 3.957 6.529 4.522
351 HG3 ARG 48 HG3 ARG 48 4.852 6.081 3.072
352 HD2 ARG 48 HD2 ARG 48 2.860 6.654 1.692
353 HD3 ARG 48 HD3 ARG 48 2.014 7.159 3.164
354 HE ARG 48 HE ARG 48 4.140 8.693 3.380
355 HH11 ARG 48 HH11 ARG 48 2.340 8.033 0.425
356 HH12 ARG 48 HH12 ARG 48 2.719 9.561 -0.295
357 HH21 ARG 48 HH21 ARG 48 4.627 10.701 2.439
358 HH22 ARG 48 HH22 ARG 48 4.028 11.093 0.858
359 HA PRO 49 HA PRO 49 4.888 3.949 8.600
360 HB2 PRO 49 HB2 PRO 49 7.411 4.897 9.107
361 HB3 PRO 49 HB3 PRO 49 7.094 3.203 8.681
362 HG2 PRO 49 HG2 PRO 49 8.112 5.427 6.954
363 HG3 PRO 49 HG3 PRO 49 8.620 3.722 7.017
364 HD2 PRO 49 HD2 PRO 49 6.914 4.725 5.105
365 HD3 PRO 49 HD3 PRO 49 6.916 3.030 5.628
366 H LEU 50 H LEU 50 3.560 5.529 9.245
367 HA LEU 50 HA LEU 50 4.037 8.355 8.626
368 HB2 LEU 50 HB2 LEU 50 1.776 7.097 10.228
369 HB3 LEU 50 HB3 LEU 50 1.846 8.754 9.643
370 HG LEU 50 HG LEU 50 1.513 6.237 7.966
371 HD11 LEU 50 HD11 LEU 50 -0.372 8.556 8.495
372 HD12 LEU 50 HD12 LEU 50 -0.513 6.912 9.128
373 HD13 LEU 50 HD13 LEU 50 -0.672 7.203 7.403
374 HD21 LEU 50 HD21 LEU 50 1.782 9.098 6.970
375 HD22 LEU 50 HD22 LEU 50 1.316 7.704 5.988
376 HD23 LEU 50 HD23 LEU 50 2.926 7.779 6.700
377 H ALA 51 H ALA 51 3.347 6.402 11.543
378 HA ALA 51 HA ALA 51 5.098 8.119 13.181
379 HB1 ALA 51 HB1 ALA 51 3.357 8.365 14.907
380 HB2 ALA 51 HB2 ALA 51 2.205 7.489 13.893
381 HB3 ALA 51 HB3 ALA 51 2.822 9.059 13.377
382 H MET 52 H MET 52 2.972 5.237 13.154
383 HA MET 52 HA MET 52 4.129 4.025 15.449
384 HB2 MET 52 HB2 MET 52 1.832 3.517 14.766
385 HB3 MET 52 HB3 MET 52 2.394 2.810 13.261
386 HG2 MET 52 HG2 MET 52 1.862 0.965 14.629
387 HG3 MET 52 HG3 MET 52 3.612 1.077 14.731
388 HE1 MET 52 HE1 MET 52 4.910 1.255 16.962
389 HE2 MET 52 HE2 MET 52 4.264 1.984 18.429
390 HE3 MET 52 HE3 MET 52 4.503 2.979 16.998
391 H ARG 53 H ARG 53 6.335 3.866 15.203
392 HA ARG 53 HA ARG 53 7.450 1.981 13.244
393 HB2 ARG 53 HB2 ARG 53 8.895 3.842 13.648
394 HB3 ARG 53 HB3 ARG 53 8.654 3.782 15.390
395 HG2 ARG 53 HG2 ARG 53 10.010 1.760 15.564
396 HG3 ARG 53 HG3 ARG 53 10.152 1.656 13.808
397 HD2 ARG 53 HD2 ARG 53 11.226 3.972 15.461
398 HD3 ARG 53 HD3 ARG 53 12.190 2.574 14.975
399 HE ARG 53 HE ARG 53 10.968 4.530 13.111
400 HH11 ARG 53 HH11 ARG 53 13.543 2.223 13.819
401 HH12 ARG 53 HH12 ARG 53 14.400 2.566 12.351
402 HH21 ARG 53 HH21 ARG 53 12.103 4.937 11.205
403 HH22 ARG 53 HH22 ARG 53 13.589 4.103 10.878
404 H LYS 54 H LYS 54 6.750 -0.047 13.734
405 HA LYS 54 HA LYS 54 8.130 -1.382 15.830
406 HB2 LYS 54 HB2 LYS 54 5.295 -0.737 16.359
407 HB3 LYS 54 HB3 LYS 54 5.538 -2.481 16.356
408 HG2 LYS 54 HG2 LYS 54 7.417 -2.161 18.016
409 HG3 LYS 54 HG3 LYS 54 6.984 -0.448 18.103
410 HD2 LYS 54 HD2 LYS 54 4.735 -1.046 18.938
411 HD3 LYS 54 HD3 LYS 54 5.126 -2.765 18.796
412 HE2 LYS 54 HE2 LYS 54 5.342 -2.068 21.117
413 HE3 LYS 54 HE3 LYS 54 6.942 -2.462 20.487
414 HZ1 LYS 54 HZ1 LYS 54 6.899 -0.421 21.826
415 HZ2 LYS 54 HZ2 LYS 54 5.836 0.291 20.720
416 HZ3 LYS 54 HZ3 LYS 54 7.403 -0.120 20.240
417 H GLU 55 H GLU 55 9.012 -2.205 13.877
418 HA GLU 55 HA GLU 55 7.502 -4.432 12.678
419 HB2 GLU 55 HB2 GLU 55 8.836 -2.936 11.156
420 HB3 GLU 55 HB3 GLU 55 10.299 -3.388 12.017
421 HG2 GLU 55 HG2 GLU 55 10.104 -4.597 9.898
422 HG3 GLU 55 HG3 GLU 55 10.075 -5.698 11.271
423 H GLY 56 H GLY 56 7.365 -5.535 14.671
424 HA2 GLY 56 HA2 GLY 56 9.575 -6.023 16.418
425 HA3 GLY 56 HA3 GLY 56 7.981 -6.751 16.516
426 H ILE 57 H ILE 57 10.742 -7.901 16.823
427 HA ILE 57 HA ILE 57 10.423 -10.201 14.975
428 HB ILE 57 HB ILE 57 12.877 -10.556 15.017
429 HG12 ILE 57 HG12 ILE 57 13.066 -7.870 16.490
430 HG13 ILE 57 HG13 ILE 57 13.391 -9.443 17.207
431 HG21 ILE 57 HG21 ILE 57 13.560 -8.715 13.514
432 HG22 ILE 57 HG22 ILE 57 12.143 -7.785 14.004
433 HG23 ILE 57 HG23 ILE 57 11.940 -9.302 13.125
434 HD11 ILE 57 HD11 ILE 57 14.966 -8.154 14.980
435 HD12 ILE 57 HD12 ILE 57 15.287 -9.742 15.679
436 HD13 ILE 57 HD13 ILE 57 15.456 -8.292 16.669
437 H GLN 58 H GLN 58 11.223 -12.211 15.841
438 HA GLN 58 HA GLN 58 11.977 -13.783 17.249
439 HB2 GLN 58 HB2 GLN 58 13.496 -12.115 18.268
440 HB3 GLN 58 HB3 GLN 58 12.219 -11.604 19.362
441 HG2 GLN 58 HG2 GLN 58 13.731 -13.016 20.577
442 HG3 GLN 58 HG3 GLN 58 12.223 -13.902 20.365
443 HE21 GLN 58 HE21 GLN 58 15.604 -13.710 19.473
444 HE22 GLN 58 HE22 GLN 58 15.701 -15.275 18.749
445 H THR 59 H THR 59 9.496 -11.642 18.702
446 HA THR 59 HA THR 59 8.503 -13.506 20.562
447 HB THR 59 HB THR 59 7.958 -11.218 20.947
448 HG1 THR 59 HG1 THR 59 6.047 -11.698 21.682
449 HG21 THR 59 HG21 THR 59 6.398 -11.166 18.334
450 HG22 THR 59 HG22 THR 59 7.949 -10.374 18.619
451 HG23 THR 59 HG23 THR 59 6.520 -9.849 19.507
452 H ARG 60 H ARG 60 7.576 -15.397 20.180
453 HA ARG 60 HA ARG 60 6.287 -16.046 17.659
454 HB2 ARG 60 HB2 ARG 60 7.698 -17.721 18.892
455 HB3 ARG 60 HB3 ARG 60 6.465 -17.774 20.151
456 HG2 ARG 60 HG2 ARG 60 4.796 -18.509 18.400
457 HG3 ARG 60 HG3 ARG 60 6.130 -18.597 17.241
458 HD2 ARG 60 HD2 ARG 60 5.667 -20.801 18.129
459 HD3 ARG 60 HD3 ARG 60 7.250 -20.266 18.695
460 HE ARG 60 HE ARG 60 5.468 -19.529 20.669
461 HH11 ARG 60 HH11 ARG 60 6.421 -22.606 19.237
462 HH12 ARG 60 HH12 ARG 60 6.084 -23.508 20.679
463 HH21 ARG 60 HH21 ARG 60 5.011 -20.724 22.528
464 HH22 ARG 60 HH22 ARG 60 5.280 -22.437 22.547
465 H LYS 61 H LYS 61 4.516 -14.691 17.592
466 HA LYS 61 HA LYS 61 2.320 -15.224 19.514
467 HB2 LYS 61 HB2 LYS 61 1.459 -12.961 18.935
468 HB3 LYS 61 HB3 LYS 61 3.038 -12.916 19.704
469 HG2 LYS 61 HG2 LYS 61 4.099 -12.546 17.498
470 HG3 LYS 61 HG3 LYS 61 2.502 -12.560 16.735
471 HD2 LYS 61 HD2 LYS 61 1.861 -10.597 18.189
472 HD3 LYS 61 HD3 LYS 61 3.523 -10.551 18.791
473 HE2 LYS 61 HE2 LYS 61 3.171 -8.885 17.021
474 HE3 LYS 61 HE3 LYS 61 4.341 -10.101 16.506
475 HZ1 LYS 61 HZ1 LYS 61 1.460 -10.071 15.744
476 HZ2 LYS 61 HZ2 LYS 61 2.619 -11.177 15.214
477 HZ3 LYS 61 HZ3 LYS 61 2.738 -9.555 14.763
478 H ARG 62 H ARG 62 0.254 -15.575 18.679
479 HA ARG 62 HA ARG 62 0.199 -16.626 15.918
480 HB2 ARG 62 HB2 ARG 62 -0.334 -18.122 17.901
481 HB3 ARG 62 HB3 ARG 62 -1.743 -17.122 18.231
482 HG2 ARG 62 HG2 ARG 62 -2.718 -17.768 16.056
483 HG3 ARG 62 HG3 ARG 62 -1.295 -18.747 15.700
484 HD2 ARG 62 HD2 ARG 62 -1.821 -20.291 17.487
485 HD3 ARG 62 HD3 ARG 62 -3.099 -19.234 18.095
486 HE ARG 62 HE ARG 62 -4.276 -19.657 15.929
487 HH11 ARG 62 HH11 ARG 62 -2.028 -22.090 17.129
488 HH12 ARG 62 HH12 ARG 62 -2.820 -23.387 16.296
489 HH21 ARG 62 HH21 ARG 62 -5.300 -21.369 14.873
490 HH22 ARG 62 HH22 ARG 62 -4.673 -22.980 15.024
491 H LYS 63 H LYS 63 0.146 -13.886 16.175
492 HA LYS 63 HA LYS 63 -1.946 -12.998 14.583
493 HB2 LYS 63 HB2 LYS 63 -3.387 -13.282 16.586
494 HB3 LYS 63 HB3 LYS 63 -2.313 -12.257 17.526
495 HG2 LYS 63 HG2 LYS 63 -2.915 -10.322 16.079
496 HG3 LYS 63 HG3 LYS 63 -4.007 -11.365 15.160
497 HD2 LYS 63 HD2 LYS 63 -5.227 -10.004 16.853
498 HD3 LYS 63 HD3 LYS 63 -5.396 -11.735 17.157
499 HE2 LYS 63 HE2 LYS 63 -3.582 -11.571 18.866
500 HE3 LYS 63 HE3 LYS 63 -3.518 -9.830 18.599
501 HZ1 LYS 63 HZ1 LYS 63 -4.817 -10.402 20.542
502 HZ2 LYS 63 HZ2 LYS 63 -5.869 -11.341 19.612
503 HZ3 LYS 63 HZ3 LYS 63 -5.796 -9.669 19.375
Start of MODEL 3
1 H1 SER 1 H1 SER 1 -40.640 14.855 4.964
2 H2 SER 1 H2 SER 1 -39.925 14.462 3.486
3 H3 SER 1 H3 SER 1 -39.775 16.020 4.107
4 HA SER 1 HA SER 1 -37.746 14.762 4.379
5 HB2 SER 1 HB2 SER 1 -39.232 15.523 6.930
6 HB3 SER 1 HB3 SER 1 -37.488 15.258 6.836
7 HG SER 1 HG SER 1 -37.290 17.009 5.503
8 H HIS 2 H HIS 2 -39.794 12.699 3.939
9 HA HIS 2 HA HIS 2 -39.253 10.631 5.924
10 HB2 HIS 2 HB2 HIS 2 -40.720 10.503 3.244
11 HB3 HIS 2 HB3 HIS 2 -40.715 9.239 4.476
12 HD2 HIS 2 HD2 HIS 2 -42.330 9.735 6.714
13 HE1 HIS 2 HE1 HIS 2 -44.067 13.253 5.134
14 HE2 HIS 2 HE2 HIS 2 -44.307 11.405 6.846
15 H MET 3 H MET 3 -37.202 11.951 3.963
16 HA MET 3 HA MET 3 -35.808 9.469 3.166
17 HB2 MET 3 HB2 MET 3 -35.736 12.220 1.825
18 HB3 MET 3 HB3 MET 3 -34.671 10.884 1.405
19 HG2 MET 3 HG2 MET 3 -36.600 9.562 0.658
20 HG3 MET 3 HG3 MET 3 -37.685 10.884 1.109
21 HE1 MET 3 HE1 MET 3 -37.688 10.908 -2.851
22 HE2 MET 3 HE2 MET 3 -38.701 10.796 -1.412
23 HE3 MET 3 HE3 MET 3 -37.574 9.495 -1.802
24 H SER 4 H SER 4 -33.494 9.579 3.345
25 HA SER 4 HA SER 4 -32.242 11.719 4.874
26 HB2 SER 4 HB2 SER 4 -31.318 10.090 6.568
27 HB3 SER 4 HB3 SER 4 -33.063 10.290 6.691
28 HG SER 4 HG SER 4 -32.516 8.267 4.998
29 H ALA 5 H ALA 5 -30.635 12.170 3.502
30 HA ALA 5 HA ALA 5 -29.274 10.092 1.937
31 HB1 ALA 5 HB1 ALA 5 -28.249 12.008 0.747
32 HB2 ALA 5 HB2 ALA 5 -29.017 13.128 1.874
33 HB3 ALA 5 HB3 ALA 5 -30.008 12.153 0.790
34 H SER 6 H SER 6 -28.779 9.584 4.460
35 HA SER 6 HA SER 6 -26.589 10.886 5.691
36 HB2 SER 6 HB2 SER 6 -27.654 8.054 6.107
37 HB3 SER 6 HB3 SER 6 -26.584 8.929 7.210
38 HG SER 6 HG SER 6 -28.210 10.304 7.716
39 H ARG 7 H ARG 7 -24.877 11.103 4.394
40 HA ARG 7 HA ARG 7 -24.028 9.282 2.409
41 HB2 ARG 7 HB2 ARG 7 -22.151 10.814 2.066
42 HB3 ARG 7 HB3 ARG 7 -23.641 11.728 2.270
43 HG2 ARG 7 HG2 ARG 7 -23.010 12.291 4.581
44 HG3 ARG 7 HG3 ARG 7 -21.546 11.314 4.438
45 HD2 ARG 7 HD2 ARG 7 -22.192 13.827 2.859
46 HD3 ARG 7 HD3 ARG 7 -21.016 13.674 4.168
47 HE ARG 7 HE ARG 7 -20.563 11.906 1.919
48 HH11 ARG 7 HH11 ARG 7 -19.807 15.073 3.263
49 HH12 ARG 7 HH12 ARG 7 -18.371 15.254 2.305
50 HH21 ARG 7 HH21 ARG 7 -18.710 12.187 0.651
51 HH22 ARG 7 HH22 ARG 7 -17.754 13.622 0.829
52 H ARG 8 H ARG 8 -22.273 7.865 2.351
53 HA ARG 8 HA ARG 8 -21.321 6.908 5.004
54 HB2 ARG 8 HB2 ARG 8 -21.919 5.332 2.458
55 HB3 ARG 8 HB3 ARG 8 -21.322 4.638 3.966
56 HG2 ARG 8 HG2 ARG 8 -23.375 5.164 5.114
57 HG3 ARG 8 HG3 ARG 8 -23.949 6.136 3.758
58 HD2 ARG 8 HD2 ARG 8 -24.074 4.098 2.357
59 HD3 ARG 8 HD3 ARG 8 -23.518 3.132 3.726
60 HE ARG 8 HE ARG 8 -25.613 3.238 4.648
61 HH11 ARG 8 HH11 ARG 8 -25.477 5.628 2.060
62 HH12 ARG 8 HH12 ARG 8 -27.180 5.945 2.111
63 HH21 ARG 8 HH21 ARG 8 -27.840 3.644 4.680
64 HH22 ARG 8 HH22 ARG 8 -28.521 4.819 3.596
65 H VAL 9 H VAL 9 -19.254 6.113 5.175
66 HA VAL 9 HA VAL 9 -17.222 6.992 3.283
67 HB VAL 9 HB VAL 9 -16.971 5.395 5.895
68 HG11 VAL 9 HG11 VAL 9 -14.576 6.026 5.847
69 HG12 VAL 9 HG12 VAL 9 -14.801 6.780 4.267
70 HG13 VAL 9 HG13 VAL 9 -15.014 5.037 4.452
71 HG21 VAL 9 HG21 VAL 9 -16.292 7.543 6.937
72 HG22 VAL 9 HG22 VAL 9 -17.931 7.630 6.292
73 HG23 VAL 9 HG23 VAL 9 -16.599 8.384 5.414
74 H GLY 10 H GLY 10 -16.241 5.660 1.794
75 HA2 GLY 10 HA2 GLY 10 -17.232 3.047 1.207
76 HA3 GLY 10 HA3 GLY 10 -15.841 3.823 0.464
77 H LEU 11 H LEU 11 -13.814 3.841 1.705
78 HA LEU 11 HA LEU 11 -13.476 1.824 3.822
79 HB2 LEU 11 HB2 LEU 11 -11.916 1.872 1.195
80 HB3 LEU 11 HB3 LEU 11 -11.378 0.972 2.603
81 HG LEU 11 HG LEU 11 -14.007 0.428 1.154
82 HD11 LEU 11 HD11 LEU 11 -11.370 -1.043 0.875
83 HD12 LEU 11 HD12 LEU 11 -12.124 -0.017 -0.346
84 HD13 LEU 11 HD13 LEU 11 -12.909 -1.514 0.147
85 HD21 LEU 11 HD21 LEU 11 -12.509 -1.193 3.239
86 HD22 LEU 11 HD22 LEU 11 -13.990 -1.689 2.414
87 HD23 LEU 11 HD23 LEU 11 -14.010 -0.298 3.495
88 H SER 12 H SER 12 -11.409 2.056 4.929
89 HA SER 12 HA SER 12 -10.005 4.645 4.528
90 HB2 SER 12 HB2 SER 12 -10.190 2.932 7.059
91 HB3 SER 12 HB3 SER 12 -9.315 4.454 6.910
92 HG SER 12 HG SER 12 -12.067 4.352 6.315
93 H CYS 13 H CYS 13 -7.760 4.563 4.360
94 HA CYS 13 HA CYS 13 -6.420 2.399 3.219
95 HB2 CYS 13 HB2 CYS 13 -5.682 4.725 2.975
96 HB3 CYS 13 HB3 CYS 13 -5.313 4.835 4.689
97 H ALA 14 H ALA 14 -5.601 0.570 4.086
98 HA ALA 14 HA ALA 14 -5.637 0.115 6.968
99 HB1 ALA 14 HB1 ALA 14 -6.473 -1.598 5.399
100 HB2 ALA 14 HB2 ALA 14 -5.122 -2.216 6.353
101 HB3 ALA 14 HB3 ALA 14 -4.868 -1.725 4.677
102 H ASN 15 H ASN 15 -3.924 2.029 6.774
103 HA ASN 15 HA ASN 15 -1.422 1.117 7.700
104 HB2 ASN 15 HB2 ASN 15 -0.794 0.660 5.427
105 HB3 ASN 15 HB3 ASN 15 -1.502 2.161 4.834
106 HD21 ASN 15 HD21 ASN 15 -0.246 3.974 4.826
107 HD22 ASN 15 HD22 ASN 15 1.359 4.041 5.400
108 H CYS 16 H CYS 16 -2.938 3.881 5.965
109 HA CYS 16 HA CYS 16 -1.818 5.748 7.995
110 HB2 CYS 16 HB2 CYS 16 -1.849 7.469 6.237
111 HB3 CYS 16 HB3 CYS 16 -0.903 6.072 5.723
112 H GLN 17 H GLN 17 -4.682 4.335 6.945
113 HA GLN 17 HA GLN 17 -6.857 4.559 7.402
114 HB2 GLN 17 HB2 GLN 17 -5.807 6.408 9.573
115 HB3 GLN 17 HB3 GLN 17 -7.501 5.941 9.453
116 HG2 GLN 17 HG2 GLN 17 -6.876 3.567 9.744
117 HG3 GLN 17 HG3 GLN 17 -5.177 4.025 9.842
118 HE21 GLN 17 HE21 GLN 17 -4.405 4.974 11.734
119 HE22 GLN 17 HE22 GLN 17 -5.307 4.989 13.209
120 H THR 18 H THR 18 -5.531 6.583 5.498
121 HA THR 18 HA THR 18 -7.382 8.803 5.534
122 HB THR 18 HB THR 18 -5.057 9.070 4.609
123 HG1 THR 18 HG1 THR 18 -6.464 9.797 2.402
124 HG21 THR 18 HG21 THR 18 -4.891 6.950 3.300
125 HG22 THR 18 HG22 THR 18 -4.529 8.377 2.330
126 HG23 THR 18 HG23 THR 18 -6.096 7.579 2.168
127 H THR 19 H THR 19 -9.332 8.849 4.644
128 HA THR 19 HA THR 19 -10.425 6.582 3.163
129 HB THR 19 HB THR 19 -12.580 7.836 3.383
130 HG1 THR 19 HG1 THR 19 -12.597 9.890 4.034
131 HG21 THR 19 HG21 THR 19 -11.012 7.735 5.998
132 HG22 THR 19 HG22 THR 19 -11.841 6.361 5.260
133 HG23 THR 19 HG23 THR 19 -12.773 7.744 5.840
134 H THR 20 H THR 20 -9.296 9.836 2.592
135 HA THR 20 HA THR 20 -10.299 10.027 -0.116
136 HB THR 20 HB THR 20 -10.128 12.125 1.018
137 HG1 THR 20 HG1 THR 20 -7.873 12.123 -0.721
138 HG21 THR 20 HG21 THR 20 -8.035 13.080 1.903
139 HG22 THR 20 HG22 THR 20 -7.182 11.585 1.514
140 HG23 THR 20 HG23 THR 20 -8.454 11.579 2.736
141 H THR 21 H THR 21 -9.341 9.308 -1.864
142 HA THR 21 HA THR 21 -6.538 9.036 -2.353
143 HB THR 21 HB THR 21 -6.779 7.004 -0.970
144 HG1 THR 21 HG1 THR 21 -6.522 5.457 -3.012
145 HG21 THR 21 HG21 THR 21 -8.259 5.149 -1.621
146 HG22 THR 21 HG22 THR 21 -8.928 6.130 -2.925
147 HG23 THR 21 HG23 THR 21 -9.195 6.599 -1.244
148 H THR 22 H THR 22 -6.187 8.019 -4.549
149 HA THR 22 HA THR 22 -8.466 8.518 -6.381
150 HB THR 22 HB THR 22 -6.707 8.552 -8.169
151 HG1 THR 22 HG1 THR 22 -4.557 8.424 -7.595
152 HG21 THR 22 HG21 THR 22 -5.677 10.711 -7.556
153 HG22 THR 22 HG22 THR 22 -6.159 10.480 -5.873
154 HG23 THR 22 HG23 THR 22 -7.387 10.690 -7.126
155 H LEU 23 H LEU 23 -6.404 6.024 -5.092
156 HA LEU 23 HA LEU 23 -7.688 3.957 -6.731
157 HB2 LEU 23 HB2 LEU 23 -5.646 4.636 -7.987
158 HB3 LEU 23 HB3 LEU 23 -4.664 4.312 -6.569
159 HG LEU 23 HG LEU 23 -5.241 1.882 -6.734
160 HD11 LEU 23 HD11 LEU 23 -6.348 0.993 -8.737
161 HD12 LEU 23 HD12 LEU 23 -6.689 2.637 -9.288
162 HD13 LEU 23 HD13 LEU 23 -7.422 2.030 -7.801
163 HD21 LEU 23 HD21 LEU 23 -4.044 3.049 -9.274
164 HD22 LEU 23 HD22 LEU 23 -3.872 1.381 -8.720
165 HD23 LEU 23 HD23 LEU 23 -3.179 2.695 -7.775
166 H TRP 24 H TRP 24 -8.271 2.311 -5.430
167 HA TRP 24 HA TRP 24 -6.934 1.828 -2.869
168 HB2 TRP 24 HB2 TRP 24 -9.403 0.567 -4.141
169 HB3 TRP 24 HB3 TRP 24 -8.688 -0.038 -2.649
170 HD1 TRP 24 HD1 TRP 24 -11.343 2.252 -3.721
171 HE1 TRP 24 HE1 TRP 24 -12.007 3.861 -1.830
172 HE3 TRP 24 HE3 TRP 24 -7.379 1.516 -0.553
173 HZ2 TRP 24 HZ2 TRP 24 -11.007 4.707 0.667
174 HZ3 TRP 24 HZ3 TRP 24 -7.309 2.772 1.559
175 HH2 TRP 24 HH2 TRP 24 -9.090 4.339 2.156
176 H ARG 25 H ARG 25 -4.977 0.962 -3.258
177 HA ARG 25 HA ARG 25 -4.677 -1.425 -4.950
178 HB2 ARG 25 HB2 ARG 25 -2.555 -0.053 -3.225
179 HB3 ARG 25 HB3 ARG 25 -2.287 -1.276 -4.469
180 HG2 ARG 25 HG2 ARG 25 -3.291 0.450 -6.123
181 HG3 ARG 25 HG3 ARG 25 -3.074 1.628 -4.826
182 HD2 ARG 25 HD2 ARG 25 -1.152 1.774 -6.254
183 HD3 ARG 25 HD3 ARG 25 -0.622 0.977 -4.772
184 HE ARG 25 HE ARG 25 -1.157 -0.372 -7.356
185 HH11 ARG 25 HH11 ARG 25 0.561 -0.372 -4.271
186 HH12 ARG 25 HH12 ARG 25 1.497 -1.775 -4.665
187 HH21 ARG 25 HH21 ARG 25 0.071 -2.197 -7.834
188 HH22 ARG 25 HH22 ARG 25 1.219 -2.807 -6.685
189 H ARG 26 H ARG 26 -4.163 -3.467 -4.052
190 HA ARG 26 HA ARG 26 -4.698 -3.767 -1.143
191 HB2 ARG 26 HB2 ARG 26 -5.044 -5.814 -3.391
192 HB3 ARG 26 HB3 ARG 26 -5.189 -6.191 -1.679
193 HG2 ARG 26 HG2 ARG 26 -7.413 -5.959 -2.484
194 HG3 ARG 26 HG3 ARG 26 -7.078 -4.497 -1.557
195 HD2 ARG 26 HD2 ARG 26 -6.662 -3.259 -3.655
196 HD3 ARG 26 HD3 ARG 26 -6.968 -4.729 -4.588
197 HE ARG 26 HE ARG 26 -9.164 -4.079 -2.891
198 HH11 ARG 26 HH11 ARG 26 -7.692 -3.191 -5.967
199 HH12 ARG 26 HH12 ARG 26 -9.180 -2.615 -6.639
200 HH21 ARG 26 HH21 ARG 26 -11.092 -3.318 -3.779
201 HH22 ARG 26 HH22 ARG 26 -11.119 -2.690 -5.395
202 H ASN 27 H ASN 27 -3.110 -4.373 0.094
203 HA ASN 27 HA ASN 27 -0.457 -4.916 -0.903
204 HB2 ASN 27 HB2 ASN 27 0.143 -5.031 1.530
205 HB3 ASN 27 HB3 ASN 27 -0.706 -3.551 1.100
206 HD21 ASN 27 HD21 ASN 27 -1.354 -3.183 3.233
207 HD22 ASN 27 HD22 ASN 27 -2.549 -4.144 4.026
208 H ALA 28 H ALA 28 0.652 -6.812 0.648
209 HA ALA 28 HA ALA 28 -0.167 -9.238 -0.625
210 HB1 ALA 28 HB1 ALA 28 1.882 -8.824 1.574
211 HB2 ALA 28 HB2 ALA 28 2.192 -8.728 -0.160
212 HB3 ALA 28 HB3 ALA 28 1.719 -10.266 0.566
213 H GLU 29 H GLU 29 -1.189 -7.753 2.253
214 HA GLU 29 HA GLU 29 -2.019 -10.178 3.671
215 HB2 GLU 29 HB2 GLU 29 -2.555 -7.249 4.358
216 HB3 GLU 29 HB3 GLU 29 -2.676 -8.635 5.443
217 HG2 GLU 29 HG2 GLU 29 -0.263 -8.943 5.424
218 HG3 GLU 29 HG3 GLU 29 -0.074 -7.727 4.162
219 H GLY 30 H GLY 30 -3.213 -8.214 1.172
220 HA2 GLY 30 HA2 GLY 30 -5.214 -8.462 -0.025
221 HA3 GLY 30 HA3 GLY 30 -5.917 -9.321 1.333
222 H GLU 31 H GLU 31 -4.461 -6.560 2.449
223 HA GLU 31 HA GLU 31 -6.993 -5.345 3.128
224 HB2 GLU 31 HB2 GLU 31 -4.115 -4.707 3.897
225 HB3 GLU 31 HB3 GLU 31 -5.506 -3.823 4.512
226 HG2 GLU 31 HG2 GLU 31 -4.982 -6.779 4.917
227 HG3 GLU 31 HG3 GLU 31 -4.704 -5.514 6.114
228 HA PRO 32 HA PRO 32 -6.755 -2.191 -0.034
229 HB2 PRO 32 HB2 PRO 32 -8.912 -0.635 1.022
230 HB3 PRO 32 HB3 PRO 32 -9.043 -1.982 -0.119
231 HG2 PRO 32 HG2 PRO 32 -9.999 -1.955 2.538
232 HG3 PRO 32 HG3 PRO 32 -9.877 -3.373 1.475
233 HD2 PRO 32 HD2 PRO 32 -8.022 -2.475 3.654
234 HD3 PRO 32 HD3 PRO 32 -8.419 -4.122 3.107
235 H VAL 33 H VAL 33 -4.850 -1.108 0.285
236 HA VAL 33 HA VAL 33 -4.747 1.205 2.132
237 HB VAL 33 HB VAL 33 -2.334 1.338 1.576
238 HG11 VAL 33 HG11 VAL 33 -3.024 -0.033 3.490
239 HG12 VAL 33 HG12 VAL 33 -1.598 -0.728 2.722
240 HG13 VAL 33 HG13 VAL 33 -3.185 -1.453 2.449
241 HG21 VAL 33 HG21 VAL 33 -2.789 -1.126 -0.164
242 HG22 VAL 33 HG22 VAL 33 -1.212 -0.433 0.234
243 HG23 VAL 33 HG23 VAL 33 -2.363 0.490 -0.735
244 H CYS 34 H CYS 34 -4.282 3.266 1.304
245 HA CYS 34 HA CYS 34 -5.545 4.039 -1.106
246 HB2 CYS 34 HB2 CYS 34 -4.717 6.313 -0.523
247 HB3 CYS 34 HB3 CYS 34 -5.450 5.511 0.856
248 H ASN 35 H ASN 35 -4.319 5.672 -2.616
249 HA ASN 35 HA ASN 35 -2.401 4.231 -4.121
250 HB2 ASN 35 HB2 ASN 35 -2.299 6.187 -5.596
251 HB3 ASN 35 HB3 ASN 35 -3.972 5.837 -5.180
252 HD21 ASN 35 HD21 ASN 35 -2.518 8.326 -6.050
253 HD22 ASN 35 HD22 ASN 35 -3.004 9.526 -4.909
254 H ALA 36 H ALA 36 -2.120 6.876 -1.774
255 HA ALA 36 HA ALA 36 0.591 7.568 -2.206
256 HB1 ALA 36 HB1 ALA 36 -0.992 9.021 -1.016
257 HB2 ALA 36 HB2 ALA 36 0.443 8.715 -0.033
258 HB3 ALA 36 HB3 ALA 36 -1.067 7.868 0.319
259 H CYS 37 H CYS 37 -0.920 5.172 -0.086
260 HA CYS 37 HA CYS 37 1.561 4.331 1.189
261 HB2 CYS 37 HB2 CYS 37 -1.231 3.115 1.338
262 HB3 CYS 37 HB3 CYS 37 0.128 2.752 2.419
263 H GLY 38 H GLY 38 -0.466 3.385 -1.443
264 HA2 GLY 38 HA2 GLY 38 0.427 0.670 -1.713
265 HA3 GLY 38 HA3 GLY 38 -0.563 1.578 -2.846
266 H LEU 39 H LEU 39 1.188 3.744 -3.316
267 HA LEU 39 HA LEU 39 2.959 2.641 -5.269
268 HB2 LEU 39 HB2 LEU 39 2.654 5.492 -4.245
269 HB3 LEU 39 HB3 LEU 39 3.707 5.038 -5.577
270 HG LEU 39 HG LEU 39 0.671 4.744 -5.570
271 HD11 LEU 39 HD11 LEU 39 0.681 6.578 -7.207
272 HD12 LEU 39 HD12 LEU 39 2.428 6.750 -7.018
273 HD13 LEU 39 HD13 LEU 39 1.353 7.086 -5.660
274 HD21 LEU 39 HD21 LEU 39 0.894 4.180 -7.952
275 HD22 LEU 39 HD22 LEU 39 1.723 3.004 -6.937
276 HD23 LEU 39 HD23 LEU 39 2.654 4.223 -7.812
277 H TYR 40 H TYR 40 3.345 3.939 -1.994
278 HA TYR 40 HA TYR 40 6.191 3.913 -1.903
279 HB2 TYR 40 HB2 TYR 40 4.532 5.028 -0.236
280 HB3 TYR 40 HB3 TYR 40 4.363 3.441 0.503
281 HD1 TYR 40 HD1 TYR 40 6.501 2.315 1.436
282 HD2 TYR 40 HD2 TYR 40 6.374 6.434 0.339
283 HE1 TYR 40 HE1 TYR 40 8.523 2.723 2.767
284 HE2 TYR 40 HE2 TYR 40 8.398 6.833 1.665
285 HH TYR 40 HH TYR 40 9.636 5.869 3.493
286 H MET 41 H MET 41 3.707 1.524 -1.016
287 HA MET 41 HA MET 41 5.299 -0.674 -0.306
288 HB2 MET 41 HB2 MET 41 2.952 -0.760 0.144
289 HB3 MET 41 HB3 MET 41 2.524 -0.373 -1.513
290 HG2 MET 41 HG2 MET 41 1.962 -2.677 -1.047
291 HG3 MET 41 HG3 MET 41 3.271 -2.633 -2.220
292 HE1 MET 41 HE1 MET 41 2.253 -3.435 1.506
293 HE2 MET 41 HE2 MET 41 3.450 -2.153 1.719
294 HE3 MET 41 HE3 MET 41 3.824 -3.801 2.220
295 H LYS 42 H LYS 42 4.270 0.522 -3.454
296 HA LYS 42 HA LYS 42 5.016 -1.754 -5.009
297 HB2 LYS 42 HB2 LYS 42 3.275 0.217 -5.437
298 HB3 LYS 42 HB3 LYS 42 4.643 1.037 -6.164
299 HG2 LYS 42 HG2 LYS 42 3.706 -1.706 -7.064
300 HG3 LYS 42 HG3 LYS 42 3.041 -0.209 -7.722
301 HD2 LYS 42 HD2 LYS 42 5.261 0.443 -8.548
302 HD3 LYS 42 HD3 LYS 42 5.975 -1.002 -7.828
303 HE2 LYS 42 HE2 LYS 42 4.593 -2.414 -9.334
304 HE3 LYS 42 HE3 LYS 42 3.926 -0.953 -10.070
305 HZ1 LYS 42 HZ1 LYS 42 6.115 -0.346 -10.826
306 HZ2 LYS 42 HZ2 LYS 42 5.765 -1.913 -11.350
307 HZ3 LYS 42 HZ3 LYS 42 6.808 -1.674 -10.045
308 H LEU 43 H LEU 43 6.630 1.217 -4.036
309 HA LEU 43 HA LEU 43 8.876 0.863 -5.886
310 HB2 LEU 43 HB2 LEU 43 8.100 3.077 -3.949
311 HB3 LEU 43 HB3 LEU 43 9.563 3.118 -4.909
312 HG LEU 43 HG LEU 43 6.751 3.032 -6.073
313 HD11 LEU 43 HD11 LEU 43 7.047 5.392 -6.633
314 HD12 LEU 43 HD12 LEU 43 8.613 5.417 -5.819
315 HD13 LEU 43 HD13 LEU 43 7.135 5.143 -4.891
316 HD21 LEU 43 HD21 LEU 43 8.404 2.040 -7.577
317 HD22 LEU 43 HD22 LEU 43 9.420 3.480 -7.453
318 HD23 LEU 43 HD23 LEU 43 7.828 3.579 -8.214
319 H HIS 44 H HIS 44 8.191 0.576 -2.418
320 HA HIS 44 HA HIS 44 11.100 0.284 -1.829
321 HB2 HIS 44 HB2 HIS 44 9.044 1.647 -0.026
322 HB3 HIS 44 HB3 HIS 44 10.779 1.518 0.261
323 HD1 HIS 44 HD1 HIS 44 12.224 2.690 -1.860
324 HD2 HIS 44 HD2 HIS 44 8.364 4.054 -1.129
325 HE1 HIS 44 HE1 HIS 44 12.040 4.885 -3.063
326 HE2 HIS 44 HE2 HIS 44 9.771 5.763 -2.457
327 H GLY 45 H GLY 45 8.245 -1.384 -1.863
328 HA2 GLY 45 HA2 GLY 45 7.992 -3.621 -1.298
329 HA3 GLY 45 HA3 GLY 45 9.408 -3.531 -0.266
330 H VAL 46 H VAL 46 8.605 -1.413 1.412
331 HA VAL 46 HA VAL 46 6.442 -2.628 3.007
332 HB VAL 46 HB VAL 46 7.351 -1.286 4.893
333 HG11 VAL 46 HG11 VAL 46 8.221 -3.551 4.546
334 HG12 VAL 46 HG12 VAL 46 9.486 -2.503 5.187
335 HG13 VAL 46 HG13 VAL 46 9.482 -2.931 3.474
336 HG21 VAL 46 HG21 VAL 46 9.483 -0.028 4.657
337 HG22 VAL 46 HG22 VAL 46 8.205 0.660 3.656
338 HG23 VAL 46 HG23 VAL 46 9.463 -0.331 2.915
339 HA PRO 47 HA PRO 47 3.737 0.859 2.116
340 HB2 PRO 47 HB2 PRO 47 2.144 1.042 4.297
341 HB3 PRO 47 HB3 PRO 47 2.120 -0.407 3.267
342 HG2 PRO 47 HG2 PRO 47 3.563 0.017 5.876
343 HG3 PRO 47 HG3 PRO 47 2.566 -1.364 5.357
344 HD2 PRO 47 HD2 PRO 47 5.301 -1.389 5.207
345 HD3 PRO 47 HD3 PRO 47 4.270 -2.292 4.075
346 H ARG 48 H ARG 48 2.762 2.972 3.381
347 HA ARG 48 HA ARG 48 5.174 4.602 3.620
348 HB2 ARG 48 HB2 ARG 48 3.299 5.163 2.032
349 HB3 ARG 48 HB3 ARG 48 2.264 5.496 3.415
350 HG2 ARG 48 HG2 ARG 48 3.836 7.307 4.112
351 HG3 ARG 48 HG3 ARG 48 4.805 6.991 2.674
352 HD2 ARG 48 HD2 ARG 48 2.932 7.630 1.231
353 HD3 ARG 48 HD3 ARG 48 1.889 7.856 2.645
354 HE ARG 48 HE ARG 48 4.322 9.449 2.619
355 HH11 ARG 48 HH11 ARG 48 0.919 9.397 1.736
356 HH12 ARG 48 HH12 ARG 48 0.777 11.120 1.682
357 HH21 ARG 48 HH21 ARG 48 4.127 11.703 2.578
358 HH22 ARG 48 HH22 ARG 48 2.611 12.437 2.164
359 HA PRO 49 HA PRO 49 4.399 4.852 8.167
360 HB2 PRO 49 HB2 PRO 49 6.796 5.959 8.869
361 HB3 PRO 49 HB3 PRO 49 6.645 4.236 8.458
362 HG2 PRO 49 HG2 PRO 49 7.595 6.505 6.726
363 HG3 PRO 49 HG3 PRO 49 8.300 4.885 6.943
364 HD2 PRO 49 HD2 PRO 49 6.723 5.510 4.807
365 HD3 PRO 49 HD3 PRO 49 6.776 3.877 5.507
366 H LEU 50 H LEU 50 3.821 6.595 9.539
367 HA LEU 50 HA LEU 50 3.739 9.307 8.314
368 HB2 LEU 50 HB2 LEU 50 1.817 8.086 10.342
369 HB3 LEU 50 HB3 LEU 50 1.726 9.725 9.717
370 HG LEU 50 HG LEU 50 1.238 7.157 8.154
371 HD11 LEU 50 HD11 LEU 50 -0.605 7.761 9.629
372 HD12 LEU 50 HD12 LEU 50 -1.062 8.006 7.949
373 HD13 LEU 50 HD13 LEU 50 -0.652 9.395 8.957
374 HD21 LEU 50 HD21 LEU 50 0.656 8.589 6.226
375 HD22 LEU 50 HD22 LEU 50 2.352 8.748 6.674
376 HD23 LEU 50 HD23 LEU 50 1.205 10.015 7.117
377 H ALA 51 H ALA 51 3.908 11.128 9.754
378 HA ALA 51 HA ALA 51 5.640 10.760 12.076
379 HB1 ALA 51 HB1 ALA 51 5.743 13.237 12.086
380 HB2 ALA 51 HB2 ALA 51 4.538 13.297 10.796
381 HB3 ALA 51 HB3 ALA 51 6.122 12.582 10.492
382 H MET 52 H MET 52 4.358 9.781 13.639
383 HA MET 52 HA MET 52 2.334 11.457 14.974
384 HB2 MET 52 HB2 MET 52 1.058 9.930 13.472
385 HB3 MET 52 HB3 MET 52 1.843 8.534 14.201
386 HG2 MET 52 HG2 MET 52 -0.483 8.920 15.025
387 HG3 MET 52 HG3 MET 52 0.722 8.944 16.315
388 HE1 MET 52 HE1 MET 52 -1.870 11.600 17.609
389 HE2 MET 52 HE2 MET 52 -0.941 10.161 18.029
390 HE3 MET 52 HE3 MET 52 -2.207 10.069 16.801
391 H ARG 53 H ARG 53 1.975 10.809 17.194
392 HA ARG 53 HA ARG 53 4.257 10.660 18.695
393 HB2 ARG 53 HB2 ARG 53 1.470 9.784 19.537
394 HB3 ARG 53 HB3 ARG 53 2.790 10.124 20.650
395 HG2 ARG 53 HG2 ARG 53 2.780 12.490 19.935
396 HG3 ARG 53 HG3 ARG 53 1.443 12.150 18.827
397 HD2 ARG 53 HD2 ARG 53 0.022 11.482 20.718
398 HD3 ARG 53 HD3 ARG 53 1.361 11.738 21.841
399 HE ARG 53 HE ARG 53 0.747 14.121 20.371
400 HH11 ARG 53 HH11 ARG 53 -0.376 12.134 23.055
401 HH12 ARG 53 HH12 ARG 53 -1.170 13.446 23.861
402 HH21 ARG 53 HH21 ARG 53 -0.324 15.844 21.456
403 HH22 ARG 53 HH22 ARG 53 -1.140 15.540 22.956
404 H LYS 54 H LYS 54 5.674 8.943 18.155
405 HA LYS 54 HA LYS 54 6.778 7.042 18.661
406 HB2 LYS 54 HB2 LYS 54 4.623 6.723 20.799
407 HB3 LYS 54 HB3 LYS 54 6.144 5.831 20.750
408 HG2 LYS 54 HG2 LYS 54 7.430 7.850 21.134
409 HG3 LYS 54 HG3 LYS 54 5.995 8.858 20.938
410 HD2 LYS 54 HD2 LYS 54 6.573 8.656 23.311
411 HD3 LYS 54 HD3 LYS 54 5.016 7.888 22.996
412 HE2 LYS 54 HE2 LYS 54 6.142 5.669 22.977
413 HE3 LYS 54 HE3 LYS 54 7.681 6.461 23.332
414 HZ1 LYS 54 HZ1 LYS 54 6.766 7.248 25.418
415 HZ2 LYS 54 HZ2 LYS 54 6.631 5.566 25.331
416 HZ3 LYS 54 HZ3 LYS 54 5.273 6.538 25.079
417 H GLU 55 H GLU 55 4.271 6.961 16.837
418 HA GLU 55 HA GLU 55 3.393 4.195 16.948
419 HB2 GLU 55 HB2 GLU 55 2.815 6.474 15.003
420 HB3 GLU 55 HB3 GLU 55 2.135 4.861 14.821
421 HG2 GLU 55 HG2 GLU 55 1.717 6.554 17.300
422 HG3 GLU 55 HG3 GLU 55 0.640 6.614 15.908
423 H GLY 56 H GLY 56 5.708 3.518 16.832
424 HA2 GLY 56 HA2 GLY 56 6.801 3.344 14.087
425 HA3 GLY 56 HA3 GLY 56 7.667 2.996 15.579
426 H ILE 57 H ILE 57 6.808 1.148 16.896
427 HA ILE 57 HA ILE 57 6.216 -1.144 15.161
428 HB ILE 57 HB ILE 57 6.755 -2.530 17.213
429 HG12 ILE 57 HG12 ILE 57 7.660 0.145 18.410
430 HG13 ILE 57 HG13 ILE 57 6.300 -0.815 18.976
431 HG21 ILE 57 HG21 ILE 57 8.938 -0.641 16.255
432 HG22 ILE 57 HG22 ILE 57 8.416 -2.119 15.444
433 HG23 ILE 57 HG23 ILE 57 9.197 -2.211 17.021
434 HD11 ILE 57 HD11 ILE 57 7.853 -2.615 19.607
435 HD12 ILE 57 HD12 ILE 57 8.193 -1.098 20.437
436 HD13 ILE 57 HD13 ILE 57 9.208 -1.609 19.088
437 H GLN 58 H GLN 58 4.084 -1.098 14.721
438 HA GLN 58 HA GLN 58 2.136 -1.189 16.952
439 HB2 GLN 58 HB2 GLN 58 0.418 -0.533 15.335
440 HB3 GLN 58 HB3 GLN 58 1.725 0.632 15.349
441 HG2 GLN 58 HG2 GLN 58 1.515 0.527 13.087
442 HG3 GLN 58 HG3 GLN 58 2.519 -0.908 13.245
443 HE21 GLN 58 HE21 GLN 58 0.668 -0.322 11.131
444 HE22 GLN 58 HE22 GLN 58 -0.521 -1.575 11.123
445 H THR 59 H THR 59 1.129 -3.085 17.349
446 HA THR 59 HA THR 59 1.226 -5.257 15.327
447 HB THR 59 HB THR 59 1.368 -6.868 17.371
448 HG1 THR 59 HG1 THR 59 1.813 -4.378 18.588
449 HG21 THR 59 HG21 THR 59 3.832 -6.744 17.495
450 HG22 THR 59 HG22 THR 59 3.798 -5.150 16.740
451 HG23 THR 59 HG23 THR 59 3.275 -6.567 15.827
452 H ARG 60 H ARG 60 -0.820 -4.895 14.639
453 HA ARG 60 HA ARG 60 -3.030 -5.184 14.429
454 HB2 ARG 60 HB2 ARG 60 -2.874 -6.650 17.101
455 HB3 ARG 60 HB3 ARG 60 -4.289 -6.635 16.051
456 HG2 ARG 60 HG2 ARG 60 -1.570 -7.807 15.363
457 HG3 ARG 60 HG3 ARG 60 -3.020 -8.717 15.799
458 HD2 ARG 60 HD2 ARG 60 -2.693 -6.957 13.342
459 HD3 ARG 60 HD3 ARG 60 -2.654 -8.722 13.364
460 HE ARG 60 HE ARG 60 -5.059 -8.240 14.440
461 HH11 ARG 60 HH11 ARG 60 -3.590 -6.939 11.525
462 HH12 ARG 60 HH12 ARG 60 -5.103 -6.712 10.714
463 HH21 ARG 60 HH21 ARG 60 -7.043 -7.942 13.375
464 HH22 ARG 60 HH22 ARG 60 -7.073 -7.287 11.768
465 H LYS 61 H LYS 61 -4.148 -3.370 14.424
466 HA LYS 61 HA LYS 61 -4.222 -1.404 16.450
467 HB2 LYS 61 HB2 LYS 61 -4.563 -0.841 14.115
468 HB3 LYS 61 HB3 LYS 61 -5.972 -1.888 14.010
469 HG2 LYS 61 HG2 LYS 61 -7.217 -0.384 15.529
470 HG3 LYS 61 HG3 LYS 61 -5.803 0.674 15.646
471 HD2 LYS 61 HD2 LYS 61 -5.944 1.229 13.279
472 HD3 LYS 61 HD3 LYS 61 -7.201 0.016 13.018
473 HE2 LYS 61 HE2 LYS 61 -7.510 2.493 14.747
474 HE3 LYS 61 HE3 LYS 61 -8.097 2.324 13.096
475 HZ1 LYS 61 HZ1 LYS 61 -9.488 0.469 13.868
476 HZ2 LYS 61 HZ2 LYS 61 -9.867 1.933 14.622
477 HZ3 LYS 61 HZ3 LYS 61 -8.981 0.761 15.453
478 H ARG 62 H ARG 62 -5.053 -1.870 18.405
479 HA ARG 62 HA ARG 62 -7.566 -3.324 18.762
480 HB2 ARG 62 HB2 ARG 62 -5.683 -3.662 20.367
481 HB3 ARG 62 HB3 ARG 62 -5.764 -1.964 20.825
482 HG2 ARG 62 HG2 ARG 62 -6.862 -3.396 22.503
483 HG3 ARG 62 HG3 ARG 62 -8.021 -2.296 21.757
484 HD2 ARG 62 HD2 ARG 62 -8.824 -4.131 20.300
485 HD3 ARG 62 HD3 ARG 62 -7.666 -5.236 21.041
486 HE ARG 62 HE ARG 62 -9.138 -4.257 23.136
487 HH11 ARG 62 HH11 ARG 62 -9.944 -5.972 20.166
488 HH12 ARG 62 HH12 ARG 62 -11.347 -6.735 20.845
489 HH21 ARG 62 HH21 ARG 62 -10.996 -5.247 24.005
490 HH22 ARG 62 HH22 ARG 62 -11.943 -6.324 23.025
491 H LYS 63 H LYS 63 -9.477 -2.363 18.977
492 HA LYS 63 HA LYS 63 -11.174 -0.915 18.910
493 HB2 LYS 63 HB2 LYS 63 -10.414 -0.018 21.062
494 HB3 LYS 63 HB3 LYS 63 -9.260 1.041 20.258
495 HG2 LYS 63 HG2 LYS 63 -11.148 2.268 19.204
496 HG3 LYS 63 HG3 LYS 63 -12.287 1.228 20.063
497 HD2 LYS 63 HD2 LYS 63 -11.510 2.089 22.218
498 HD3 LYS 63 HD3 LYS 63 -10.246 3.035 21.427
499 HE2 LYS 63 HE2 LYS 63 -12.144 4.458 22.066
500 HE3 LYS 63 HE3 LYS 63 -11.967 4.413 20.314
501 HZ1 LYS 63 HZ1 LYS 63 -14.279 4.227 21.047
502 HZ2 LYS 63 HZ2 LYS 63 -13.918 2.793 21.865
503 HZ3 LYS 63 HZ3 LYS 63 -13.784 2.863 20.181
Start of MODEL 4
1 H1 SER 1 H1 SER 1 -18.031 17.323 -2.273
2 H2 SER 1 H2 SER 1 -17.826 15.676 -2.604
3 H3 SER 1 H3 SER 1 -16.879 16.421 -1.427
4 HA SER 1 HA SER 1 -19.809 16.083 -1.295
5 HB2 SER 1 HB2 SER 1 -18.544 13.922 -1.080
6 HB3 SER 1 HB3 SER 1 -17.629 14.615 0.255
7 HG SER 1 HG SER 1 -19.352 13.359 1.018
8 H HIS 2 H HIS 2 -20.298 16.175 1.243
9 HA HIS 2 HA HIS 2 -18.865 18.436 2.518
10 HB2 HIS 2 HB2 HIS 2 -21.891 18.010 2.353
11 HB3 HIS 2 HB3 HIS 2 -21.128 19.148 3.459
12 HD2 HIS 2 HD2 HIS 2 -22.275 18.939 -0.189
13 HE1 HIS 2 HE1 HIS 2 -20.053 22.510 0.260
14 HE2 HIS 2 HE2 HIS 2 -21.730 21.266 -1.176
15 H MET 3 H MET 3 -20.580 15.386 2.819
16 HA MET 3 HA MET 3 -20.289 15.213 5.696
17 HB2 MET 3 HB2 MET 3 -21.222 12.948 5.446
18 HB3 MET 3 HB3 MET 3 -22.186 14.113 4.561
19 HG2 MET 3 HG2 MET 3 -21.082 13.367 2.450
20 HG3 MET 3 HG3 MET 3 -20.218 12.142 3.375
21 HE1 MET 3 HE1 MET 3 -23.688 13.276 1.897
22 HE2 MET 3 HE2 MET 3 -24.009 13.403 3.628
23 HE3 MET 3 HE3 MET 3 -24.795 12.145 2.673
24 H SER 4 H SER 4 -18.508 14.495 6.755
25 HA SER 4 HA SER 4 -16.227 13.318 5.434
26 HB2 SER 4 HB2 SER 4 -16.863 13.570 8.408
27 HB3 SER 4 HB3 SER 4 -15.283 13.205 7.719
28 HG SER 4 HG SER 4 -16.139 15.542 8.325
29 H ALA 5 H ALA 5 -15.951 11.158 5.074
30 HA ALA 5 HA ALA 5 -17.957 9.236 5.746
31 HB1 ALA 5 HB1 ALA 5 -15.175 8.791 4.604
32 HB2 ALA 5 HB2 ALA 5 -16.654 9.029 3.670
33 HB3 ALA 5 HB3 ALA 5 -16.465 7.585 4.669
34 H SER 6 H SER 6 -18.132 9.271 7.965
35 HA SER 6 HA SER 6 -15.998 8.668 9.813
36 HB2 SER 6 HB2 SER 6 -17.935 8.640 11.470
37 HB3 SER 6 HB3 SER 6 -17.780 10.131 10.543
38 HG SER 6 HG SER 6 -19.928 9.504 10.525
39 H ARG 7 H ARG 7 -17.115 6.763 7.628
40 HA ARG 7 HA ARG 7 -16.767 4.255 8.972
41 HB2 ARG 7 HB2 ARG 7 -18.921 3.296 8.223
42 HB3 ARG 7 HB3 ARG 7 -19.194 4.615 9.347
43 HG2 ARG 7 HG2 ARG 7 -19.397 4.975 6.337
44 HG3 ARG 7 HG3 ARG 7 -20.763 4.475 7.328
45 HD2 ARG 7 HD2 ARG 7 -20.666 6.581 8.588
46 HD3 ARG 7 HD3 ARG 7 -19.219 7.074 7.702
47 HE ARG 7 HE ARG 7 -21.332 6.569 5.889
48 HH11 ARG 7 HH11 ARG 7 -20.374 8.981 8.295
49 HH12 ARG 7 HH12 ARG 7 -21.229 10.267 7.509
50 HH21 ARG 7 HH21 ARG 7 -22.442 8.286 4.882
51 HH22 ARG 7 HH22 ARG 7 -22.400 9.874 5.580
52 H ARG 8 H ARG 8 -16.602 2.513 7.300
53 HA ARG 8 HA ARG 8 -15.294 3.399 4.917
54 HB2 ARG 8 HB2 ARG 8 -16.121 0.641 5.883
55 HB3 ARG 8 HB3 ARG 8 -15.359 0.893 4.314
56 HG2 ARG 8 HG2 ARG 8 -13.417 1.958 5.495
57 HG3 ARG 8 HG3 ARG 8 -14.154 1.499 7.032
58 HD2 ARG 8 HD2 ARG 8 -13.754 -0.793 6.686
59 HD3 ARG 8 HD3 ARG 8 -13.649 -0.618 4.928
60 HE ARG 8 HE ARG 8 -11.543 0.835 5.849
61 HH11 ARG 8 HH11 ARG 8 -12.486 -2.496 6.422
62 HH12 ARG 8 HH12 ARG 8 -10.856 -3.041 6.627
63 HH21 ARG 8 HH21 ARG 8 -9.400 0.084 6.041
64 HH22 ARG 8 HH22 ARG 8 -9.120 -1.589 6.415
65 H VAL 9 H VAL 9 -16.818 4.688 3.860
66 HA VAL 9 HA VAL 9 -19.263 3.626 2.747
67 HB VAL 9 HB VAL 9 -17.703 6.137 1.960
68 HG11 VAL 9 HG11 VAL 9 -20.581 5.389 1.301
69 HG12 VAL 9 HG12 VAL 9 -19.239 5.477 0.158
70 HG13 VAL 9 HG13 VAL 9 -19.818 6.943 0.948
71 HG21 VAL 9 HG21 VAL 9 -20.073 5.880 3.851
72 HG22 VAL 9 HG22 VAL 9 -19.298 7.390 3.360
73 HG23 VAL 9 HG23 VAL 9 -18.402 6.213 4.324
74 H GLY 10 H GLY 10 -16.031 4.452 1.493
75 HA2 GLY 10 HA2 GLY 10 -16.255 2.297 -0.535
76 HA3 GLY 10 HA3 GLY 10 -15.596 3.880 -0.947
77 H LEU 11 H LEU 11 -15.239 1.708 1.833
78 HA LEU 11 HA LEU 11 -13.520 0.792 2.955
79 HB2 LEU 11 HB2 LEU 11 -11.927 1.264 0.408
80 HB3 LEU 11 HB3 LEU 11 -11.327 0.348 1.780
81 HG LEU 11 HG LEU 11 -13.803 -0.451 0.191
82 HD11 LEU 11 HD11 LEU 11 -10.992 -1.553 -0.094
83 HD12 LEU 11 HD12 LEU 11 -11.821 -0.526 -1.265
84 HD13 LEU 11 HD13 LEU 11 -12.441 -2.138 -0.919
85 HD21 LEU 11 HD21 LEU 11 -13.772 -1.316 2.483
86 HD22 LEU 11 HD22 LEU 11 -12.153 -1.979 2.236
87 HD23 LEU 11 HD23 LEU 11 -13.522 -2.621 1.324
88 H SER 12 H SER 12 -11.285 1.238 3.904
89 HA SER 12 HA SER 12 -10.359 4.028 3.697
90 HB2 SER 12 HB2 SER 12 -10.100 4.274 6.113
91 HB3 SER 12 HB3 SER 12 -11.779 3.826 5.802
92 HG SER 12 HG SER 12 -10.412 2.678 7.511
93 H CYS 13 H CYS 13 -8.135 4.232 3.998
94 HA CYS 13 HA CYS 13 -6.456 2.111 3.216
95 HB2 CYS 13 HB2 CYS 13 -5.976 4.508 2.812
96 HB3 CYS 13 HB3 CYS 13 -5.759 4.776 4.531
97 H ALA 14 H ALA 14 -5.711 0.437 4.410
98 HA ALA 14 HA ALA 14 -6.117 0.083 7.171
99 HB1 ALA 14 HB1 ALA 14 -4.679 -1.907 6.947
100 HB2 ALA 14 HB2 ALA 14 -4.118 -1.335 5.374
101 HB3 ALA 14 HB3 ALA 14 -5.809 -1.787 5.593
102 H ASN 15 H ASN 15 -3.618 1.766 5.504
103 HA ASN 15 HA ASN 15 -1.677 1.691 7.679
104 HB2 ASN 15 HB2 ASN 15 -0.932 1.403 5.310
105 HB3 ASN 15 HB3 ASN 15 -1.508 3.026 4.941
106 HD21 ASN 15 HD21 ASN 15 -0.132 4.748 5.348
107 HD22 ASN 15 HD22 ASN 15 1.414 4.583 6.088
108 H CYS 16 H CYS 16 -3.465 4.216 5.822
109 HA CYS 16 HA CYS 16 -2.663 6.220 7.866
110 HB2 CYS 16 HB2 CYS 16 -2.842 7.899 6.017
111 HB3 CYS 16 HB3 CYS 16 -1.624 6.645 5.714
112 H GLN 17 H GLN 17 -5.366 4.610 6.615
113 HA GLN 17 HA GLN 17 -7.582 4.711 6.984
114 HB2 GLN 17 HB2 GLN 17 -6.637 6.453 9.280
115 HB3 GLN 17 HB3 GLN 17 -8.329 6.003 9.086
116 HG2 GLN 17 HG2 GLN 17 -6.047 4.018 9.358
117 HG3 GLN 17 HG3 GLN 17 -7.076 4.550 10.691
118 HE21 GLN 17 HE21 GLN 17 -6.675 1.867 9.491
119 HE22 GLN 17 HE22 GLN 17 -8.252 1.310 9.066
120 H THR 18 H THR 18 -6.401 6.709 5.112
121 HA THR 18 HA THR 18 -8.450 8.773 5.044
122 HB THR 18 HB THR 18 -6.203 9.296 4.107
123 HG1 THR 18 HG1 THR 18 -7.988 10.440 3.303
124 HG21 THR 18 HG21 THR 18 -6.886 7.325 1.891
125 HG22 THR 18 HG22 THR 18 -5.611 7.106 3.092
126 HG23 THR 18 HG23 THR 18 -5.498 8.416 1.913
127 H THR 19 H THR 19 -10.317 8.656 3.963
128 HA THR 19 HA THR 19 -11.112 6.192 2.547
129 HB THR 19 HB THR 19 -13.434 7.210 2.760
130 HG1 THR 19 HG1 THR 19 -13.694 9.117 3.802
131 HG21 THR 19 HG21 THR 19 -12.676 5.614 4.491
132 HG22 THR 19 HG22 THR 19 -13.686 6.878 5.197
133 HG23 THR 19 HG23 THR 19 -11.933 6.938 5.393
134 H THR 20 H THR 20 -10.259 9.515 1.998
135 HA THR 20 HA THR 20 -11.989 9.901 -0.326
136 HB THR 20 HB THR 20 -11.730 11.658 1.459
137 HG1 THR 20 HG1 THR 20 -10.964 12.477 -1.171
138 HG21 THR 20 HG21 THR 20 -9.763 13.132 1.432
139 HG22 THR 20 HG22 THR 20 -8.980 12.103 0.232
140 HG23 THR 20 HG23 THR 20 -9.289 11.482 1.857
141 H THR 21 H THR 21 -9.288 8.255 -0.213
142 HA THR 21 HA THR 21 -7.541 9.443 -2.110
143 HB THR 21 HB THR 21 -6.712 7.692 -0.631
144 HG1 THR 21 HG1 THR 21 -6.599 6.517 -3.210
145 HG21 THR 21 HG21 THR 21 -8.741 6.301 -0.452
146 HG22 THR 21 HG22 THR 21 -7.338 5.332 -0.902
147 HG23 THR 21 HG23 THR 21 -8.529 5.772 -2.126
148 H THR 22 H THR 22 -7.216 8.945 -4.307
149 HA THR 22 HA THR 22 -9.632 8.639 -5.845
150 HB THR 22 HB THR 22 -8.069 9.048 -7.803
151 HG1 THR 22 HG1 THR 22 -5.889 9.701 -7.164
152 HG21 THR 22 HG21 THR 22 -7.850 11.036 -5.503
153 HG22 THR 22 HG22 THR 22 -9.159 10.963 -6.686
154 HG23 THR 22 HG23 THR 22 -7.530 11.394 -7.206
155 H LEU 23 H LEU 23 -6.479 6.935 -5.876
156 HA LEU 23 HA LEU 23 -7.682 4.584 -7.181
157 HB2 LEU 23 HB2 LEU 23 -5.646 5.557 -8.191
158 HB3 LEU 23 HB3 LEU 23 -4.780 5.347 -6.684
159 HG LEU 23 HG LEU 23 -5.035 2.836 -6.954
160 HD11 LEU 23 HD11 LEU 23 -5.648 1.934 -9.157
161 HD12 LEU 23 HD12 LEU 23 -6.091 3.553 -9.703
162 HD13 LEU 23 HD13 LEU 23 -6.996 2.780 -8.399
163 HD21 LEU 23 HD21 LEU 23 -2.950 3.955 -7.582
164 HD22 LEU 23 HD22 LEU 23 -3.580 4.258 -9.204
165 HD23 LEU 23 HD23 LEU 23 -3.288 2.602 -8.663
166 H TRP 24 H TRP 24 -7.754 2.601 -6.207
167 HA TRP 24 HA TRP 24 -6.781 2.290 -3.436
168 HB2 TRP 24 HB2 TRP 24 -9.109 1.001 -4.904
169 HB3 TRP 24 HB3 TRP 24 -8.415 0.239 -3.473
170 HD1 TRP 24 HD1 TRP 24 -10.980 2.773 -4.407
171 HE1 TRP 24 HE1 TRP 24 -11.793 4.025 -2.307
172 HE3 TRP 24 HE3 TRP 24 -7.377 1.263 -1.101
173 HZ2 TRP 24 HZ2 TRP 24 -11.003 4.351 0.378
174 HZ3 TRP 24 HZ3 TRP 24 -7.467 2.102 1.208
175 HH2 TRP 24 HH2 TRP 24 -9.243 3.618 1.924
176 H ARG 25 H ARG 25 -5.574 0.547 -2.886
177 HA ARG 25 HA ARG 25 -4.593 -1.311 -4.961
178 HB2 ARG 25 HB2 ARG 25 -2.844 0.064 -2.869
179 HB3 ARG 25 HB3 ARG 25 -2.305 -1.096 -4.072
180 HG2 ARG 25 HG2 ARG 25 -3.516 1.033 -5.544
181 HG3 ARG 25 HG3 ARG 25 -2.554 1.806 -4.287
182 HD2 ARG 25 HD2 ARG 25 -1.236 1.531 -6.325
183 HD3 ARG 25 HD3 ARG 25 -0.574 0.521 -5.034
184 HE ARG 25 HE ARG 25 -2.449 -0.890 -6.686
185 HH11 ARG 25 HH11 ARG 25 0.939 0.109 -6.545
186 HH12 ARG 25 HH12 ARG 25 1.469 -1.158 -7.597
187 HH21 ARG 25 HH21 ARG 25 -1.717 -2.577 -8.001
188 HH22 ARG 25 HH22 ARG 25 -0.036 -2.687 -8.428
189 H ARG 26 H ARG 26 -3.428 -3.198 -3.888
190 HA ARG 26 HA ARG 26 -4.527 -3.875 -1.214
191 HB2 ARG 26 HB2 ARG 26 -4.188 -5.694 -3.644
192 HB3 ARG 26 HB3 ARG 26 -4.469 -6.313 -2.018
193 HG2 ARG 26 HG2 ARG 26 -6.363 -4.477 -3.528
194 HG3 ARG 26 HG3 ARG 26 -6.534 -6.229 -3.391
195 HD2 ARG 26 HD2 ARG 26 -6.856 -6.077 -0.999
196 HD3 ARG 26 HD3 ARG 26 -6.476 -4.352 -1.004
197 HE ARG 26 HE ARG 26 -8.604 -4.517 -2.679
198 HH11 ARG 26 HH11 ARG 26 -8.088 -5.646 0.627
199 HH12 ARG 26 HH12 ARG 26 -9.754 -5.475 1.070
200 HH21 ARG 26 HH21 ARG 26 -10.772 -4.263 -2.058
201 HH22 ARG 26 HH22 ARG 26 -11.271 -4.687 -0.456
202 H ASN 27 H ASN 27 -3.076 -4.453 0.280
203 HA ASN 27 HA ASN 27 -0.248 -4.418 -0.418
204 HB2 ASN 27 HB2 ASN 27 0.133 -4.443 2.042
205 HB3 ASN 27 HB3 ASN 27 -0.931 -3.141 1.534
206 HD21 ASN 27 HD21 ASN 27 -1.642 -2.957 3.688
207 HD22 ASN 27 HD22 ASN 27 -2.749 -4.088 4.370
208 H ALA 28 H ALA 28 1.054 -6.070 1.147
209 HA ALA 28 HA ALA 28 0.955 -8.595 -0.050
210 HB1 ALA 28 HB1 ALA 28 2.986 -7.636 0.990
211 HB2 ALA 28 HB2 ALA 28 2.660 -9.261 1.604
212 HB3 ALA 28 HB3 ALA 28 2.268 -7.848 2.586
213 H GLU 29 H GLU 29 -0.683 -7.385 2.759
214 HA GLU 29 HA GLU 29 -1.371 -9.939 3.956
215 HB2 GLU 29 HB2 GLU 29 -2.517 -7.174 4.590
216 HB3 GLU 29 HB3 GLU 29 -2.477 -8.582 5.650
217 HG2 GLU 29 HG2 GLU 29 -0.104 -8.399 5.963
218 HG3 GLU 29 HG3 GLU 29 0.044 -7.209 4.670
219 H GLY 30 H GLY 30 -2.796 -7.616 1.754
220 HA2 GLY 30 HA2 GLY 30 -4.539 -8.173 0.214
221 HA3 GLY 30 HA3 GLY 30 -5.236 -9.261 1.400
222 H GLU 31 H GLU 31 -4.283 -6.511 2.966
223 HA GLU 31 HA GLU 31 -6.952 -5.506 3.335
224 HB2 GLU 31 HB2 GLU 31 -4.255 -4.491 4.337
225 HB3 GLU 31 HB3 GLU 31 -5.813 -3.881 4.877
226 HG2 GLU 31 HG2 GLU 31 -4.787 -6.709 5.263
227 HG3 GLU 31 HG3 GLU 31 -4.816 -5.454 6.493
228 HA PRO 32 HA PRO 32 -6.795 -2.352 0.160
229 HB2 PRO 32 HB2 PRO 32 -8.776 -0.660 0.967
230 HB3 PRO 32 HB3 PRO 32 -9.122 -2.310 0.405
231 HG2 PRO 32 HG2 PRO 32 -8.978 -1.271 3.217
232 HG3 PRO 32 HG3 PRO 32 -10.142 -2.407 2.495
233 HD2 PRO 32 HD2 PRO 32 -7.971 -3.201 4.015
234 HD3 PRO 32 HD3 PRO 32 -8.745 -4.228 2.790
235 H VAL 33 H VAL 33 -4.879 -1.236 0.189
236 HA VAL 33 HA VAL 33 -4.563 1.039 2.056
237 HB VAL 33 HB VAL 33 -2.193 1.161 1.279
238 HG11 VAL 33 HG11 VAL 33 -1.374 -0.832 2.479
239 HG12 VAL 33 HG12 VAL 33 -2.974 -1.572 2.368
240 HG13 VAL 33 HG13 VAL 33 -2.743 -0.102 3.321
241 HG21 VAL 33 HG21 VAL 33 -1.192 -0.697 -0.028
242 HG22 VAL 33 HG22 VAL 33 -2.408 0.172 -0.965
243 HG23 VAL 33 HG23 VAL 33 -2.798 -1.399 -0.258
244 H CYS 34 H CYS 34 -4.059 3.099 1.226
245 HA CYS 34 HA CYS 34 -5.645 3.871 -1.016
246 HB2 CYS 34 HB2 CYS 34 -4.833 6.184 -0.422
247 HB3 CYS 34 HB3 CYS 34 -5.505 5.297 0.953
248 H ASN 35 H ASN 35 -4.643 5.633 -2.554
249 HA ASN 35 HA ASN 35 -2.769 4.503 -4.306
250 HB2 ASN 35 HB2 ASN 35 -4.357 6.267 -5.027
251 HB3 ASN 35 HB3 ASN 35 -3.562 7.448 -3.991
252 HD21 ASN 35 HD21 ASN 35 -2.068 5.013 -6.139
253 HD22 ASN 35 HD22 ASN 35 -1.276 6.155 -7.161
254 H ALA 36 H ALA 36 -2.398 7.126 -1.915
255 HA ALA 36 HA ALA 36 0.272 7.798 -2.247
256 HB1 ALA 36 HB1 ALA 36 -1.340 9.086 -0.888
257 HB2 ALA 36 HB2 ALA 36 0.134 8.742 0.027
258 HB3 ALA 36 HB3 ALA 36 -1.335 7.812 0.334
259 H CYS 37 H CYS 37 -1.103 5.451 0.080
260 HA CYS 37 HA CYS 37 1.382 4.555 1.143
261 HB2 CYS 37 HB2 CYS 37 -1.327 3.173 1.249
262 HB3 CYS 37 HB3 CYS 37 0.073 2.789 2.264
263 H GLY 38 H GLY 38 -0.590 3.572 -1.530
264 HA2 GLY 38 HA2 GLY 38 0.607 0.997 -2.023
265 HA3 GLY 38 HA3 GLY 38 -0.535 1.856 -3.042
266 H LEU 39 H LEU 39 1.304 4.285 -3.028
267 HA LEU 39 HA LEU 39 2.954 3.633 -5.287
268 HB2 LEU 39 HB2 LEU 39 2.838 6.121 -3.530
269 HB3 LEU 39 HB3 LEU 39 3.855 5.989 -4.958
270 HG LEU 39 HG LEU 39 0.811 5.872 -4.973
271 HD11 LEU 39 HD11 LEU 39 1.611 8.111 -4.410
272 HD12 LEU 39 HD12 LEU 39 0.903 8.083 -6.022
273 HD13 LEU 39 HD13 LEU 39 2.659 8.113 -5.831
274 HD21 LEU 39 HD21 LEU 39 2.779 5.913 -7.281
275 HD22 LEU 39 HD22 LEU 39 1.019 6.016 -7.419
276 HD23 LEU 39 HD23 LEU 39 1.767 4.550 -6.791
277 H TYR 40 H TYR 40 3.526 4.303 -1.843
278 HA TYR 40 HA TYR 40 6.346 4.021 -1.866
279 HB2 TYR 40 HB2 TYR 40 4.883 5.081 -0.017
280 HB3 TYR 40 HB3 TYR 40 4.560 3.444 0.536
281 HD1 TYR 40 HD1 TYR 40 6.574 2.002 1.295
282 HD2 TYR 40 HD2 TYR 40 6.880 6.209 0.625
283 HE1 TYR 40 HE1 TYR 40 8.665 2.042 2.575
284 HE2 TYR 40 HE2 TYR 40 8.993 6.242 1.892
285 HH TYR 40 HH TYR 40 10.129 4.899 3.641
286 H MET 41 H MET 41 3.669 1.765 -1.359
287 HA MET 41 HA MET 41 5.226 -0.510 -0.651
288 HB2 MET 41 HB2 MET 41 2.904 -0.393 -0.006
289 HB3 MET 41 HB3 MET 41 2.379 -0.222 -1.674
290 HG2 MET 41 HG2 MET 41 2.719 -2.490 -2.149
291 HG3 MET 41 HG3 MET 41 3.850 -2.705 -0.812
292 HE1 MET 41 HE1 MET 41 2.419 -1.428 1.671
293 HE2 MET 41 HE2 MET 41 3.188 -3.017 1.679
294 HE3 MET 41 HE3 MET 41 1.547 -2.830 2.294
295 H LYS 42 H LYS 42 4.059 0.779 -3.720
296 HA LYS 42 HA LYS 42 4.731 -1.359 -5.430
297 HB2 LYS 42 HB2 LYS 42 3.406 0.885 -5.862
298 HB3 LYS 42 HB3 LYS 42 4.972 1.563 -6.257
299 HG2 LYS 42 HG2 LYS 42 3.703 -0.813 -7.661
300 HG3 LYS 42 HG3 LYS 42 3.611 0.849 -8.233
301 HD2 LYS 42 HD2 LYS 42 6.157 -0.796 -7.945
302 HD3 LYS 42 HD3 LYS 42 5.314 -0.451 -9.455
303 HE2 LYS 42 HE2 LYS 42 5.813 1.910 -9.270
304 HE3 LYS 42 HE3 LYS 42 6.480 1.692 -7.648
305 HZ1 LYS 42 HZ1 LYS 42 8.281 0.437 -8.540
306 HZ2 LYS 42 HZ2 LYS 42 8.168 1.874 -9.423
307 HZ3 LYS 42 HZ3 LYS 42 7.605 0.430 -10.088
308 H LEU 43 H LEU 43 6.609 1.332 -4.118
309 HA LEU 43 HA LEU 43 9.010 0.845 -5.600
310 HB2 LEU 43 HB2 LEU 43 8.484 2.515 -3.119
311 HB3 LEU 43 HB3 LEU 43 9.995 2.527 -4.011
312 HG LEU 43 HG LEU 43 7.302 3.447 -5.093
313 HD11 LEU 43 HD11 LEU 43 8.243 5.714 -5.019
314 HD12 LEU 43 HD12 LEU 43 9.705 5.092 -4.249
315 HD13 LEU 43 HD13 LEU 43 8.154 4.994 -3.412
316 HD21 LEU 43 HD21 LEU 43 10.038 3.566 -6.398
317 HD22 LEU 43 HD22 LEU 43 8.546 4.262 -7.039
318 HD23 LEU 43 HD23 LEU 43 8.699 2.516 -6.875
319 H HIS 44 H HIS 44 8.151 0.303 -2.130
320 HA HIS 44 HA HIS 44 10.783 -1.029 -1.771
321 HB2 HIS 44 HB2 HIS 44 9.269 0.708 0.230
322 HB3 HIS 44 HB3 HIS 44 10.838 -0.053 0.509
323 HD1 HIS 44 HD1 HIS 44 12.661 0.704 -1.521
324 HD2 HIS 44 HD2 HIS 44 9.574 3.314 -0.539
325 HE1 HIS 44 HE1 HIS 44 13.333 2.928 -2.464
326 HE2 HIS 44 HE2 HIS 44 11.567 4.522 -1.644
327 H GLY 45 H GLY 45 7.557 -1.780 -1.839
328 HA2 GLY 45 HA2 GLY 45 6.644 -3.890 -1.437
329 HA3 GLY 45 HA3 GLY 45 8.013 -4.295 -0.413
330 H VAL 46 H VAL 46 7.882 -2.115 1.353
331 HA VAL 46 HA VAL 46 5.616 -2.808 3.058
332 HB VAL 46 HB VAL 46 6.835 -1.527 4.798
333 HG11 VAL 46 HG11 VAL 46 8.618 -3.486 3.300
334 HG12 VAL 46 HG12 VAL 46 7.405 -3.892 4.517
335 HG13 VAL 46 HG13 VAL 46 8.841 -2.980 4.979
336 HG21 VAL 46 HG21 VAL 46 9.089 -0.572 4.351
337 HG22 VAL 46 HG22 VAL 46 7.839 0.245 3.414
338 HG23 VAL 46 HG23 VAL 46 8.895 -0.932 2.630
339 HA PRO 47 HA PRO 47 3.381 0.999 2.109
340 HB2 PRO 47 HB2 PRO 47 1.890 1.434 4.334
341 HB3 PRO 47 HB3 PRO 47 1.643 -0.022 3.345
342 HG2 PRO 47 HG2 PRO 47 3.189 0.264 5.907
343 HG3 PRO 47 HG3 PRO 47 2.032 -1.000 5.433
344 HD2 PRO 47 HD2 PRO 47 4.760 -1.315 5.234
345 HD3 PRO 47 HD3 PRO 47 3.605 -2.163 4.182
346 H ARG 48 H ARG 48 2.784 3.252 3.279
347 HA ARG 48 HA ARG 48 5.219 4.628 3.619
348 HB2 ARG 48 HB2 ARG 48 2.330 5.461 3.836
349 HB3 ARG 48 HB3 ARG 48 3.569 6.570 4.406
350 HG2 ARG 48 HG2 ARG 48 4.663 6.343 2.116
351 HG3 ARG 48 HG3 ARG 48 3.224 5.479 1.603
352 HD2 ARG 48 HD2 ARG 48 1.860 7.484 2.178
353 HD3 ARG 48 HD3 ARG 48 3.349 8.316 2.639
354 HE ARG 48 HE ARG 48 3.445 7.330 -0.044
355 HH11 ARG 48 HH11 ARG 48 2.231 10.005 1.911
356 HH12 ARG 48 HH12 ARG 48 2.204 11.120 0.585
357 HH21 ARG 48 HH21 ARG 48 3.402 8.806 -1.776
358 HH22 ARG 48 HH22 ARG 48 2.871 10.437 -1.507
359 HA PRO 49 HA PRO 49 5.804 3.863 8.042
360 HB2 PRO 49 HB2 PRO 49 8.143 5.645 7.908
361 HB3 PRO 49 HB3 PRO 49 8.107 3.887 8.105
362 HG2 PRO 49 HG2 PRO 49 9.024 5.169 5.850
363 HG3 PRO 49 HG3 PRO 49 8.427 3.495 5.883
364 HD2 PRO 49 HD2 PRO 49 7.029 5.973 4.923
365 HD3 PRO 49 HD3 PRO 49 6.927 4.306 4.328
366 H LEU 50 H LEU 50 4.121 4.987 8.968
367 HA LEU 50 HA LEU 50 4.019 7.914 8.945
368 HB2 LEU 50 HB2 LEU 50 2.109 5.869 10.148
369 HB3 LEU 50 HB3 LEU 50 1.823 7.604 10.072
370 HG LEU 50 HG LEU 50 1.992 5.701 7.704
371 HD11 LEU 50 HD11 LEU 50 -0.374 6.239 7.402
372 HD12 LEU 50 HD12 LEU 50 -0.350 7.237 8.859
373 HD13 LEU 50 HD13 LEU 50 -0.077 5.494 8.970
374 HD21 LEU 50 HD21 LEU 50 1.351 7.647 6.315
375 HD22 LEU 50 HD22 LEU 50 2.939 7.844 7.050
376 HD23 LEU 50 HD23 LEU 50 1.548 8.707 7.716
377 H ALA 51 H ALA 51 3.942 9.183 10.809
378 HA ALA 51 HA ALA 51 5.278 8.312 13.214
379 HB1 ALA 51 HB1 ALA 51 5.419 10.654 12.421
380 HB2 ALA 51 HB2 ALA 51 4.725 10.582 14.042
381 HB3 ALA 51 HB3 ALA 51 3.680 10.851 12.645
382 H MET 52 H MET 52 4.331 7.952 15.253
383 HA MET 52 HA MET 52 2.866 7.222 16.812
384 HB2 MET 52 HB2 MET 52 1.485 9.213 16.306
385 HB3 MET 52 HB3 MET 52 0.698 8.361 14.988
386 HG2 MET 52 HG2 MET 52 -0.363 6.836 16.583
387 HG3 MET 52 HG3 MET 52 0.462 7.639 17.924
388 HE1 MET 52 HE1 MET 52 -2.125 7.754 18.959
389 HE2 MET 52 HE2 MET 52 -2.840 7.157 17.460
390 HE3 MET 52 HE3 MET 52 -3.416 8.664 18.174
391 H ARG 53 H ARG 53 3.432 5.842 13.979
392 HA ARG 53 HA ARG 53 1.476 3.676 14.001
393 HB2 ARG 53 HB2 ARG 53 2.488 4.636 11.852
394 HB3 ARG 53 HB3 ARG 53 4.004 3.877 12.306
395 HG2 ARG 53 HG2 ARG 53 3.051 2.376 10.761
396 HG3 ARG 53 HG3 ARG 53 2.688 1.644 12.322
397 HD2 ARG 53 HD2 ARG 53 0.770 3.279 10.620
398 HD3 ARG 53 HD3 ARG 53 0.764 1.525 10.792
399 HE ARG 53 HE ARG 53 0.341 2.032 13.264
400 HH11 ARG 53 HH11 ARG 53 -0.950 4.034 10.656
401 HH12 ARG 53 HH12 ARG 53 -2.297 4.578 11.596
402 HH21 ARG 53 HH21 ARG 53 -1.430 2.809 14.479
403 HH22 ARG 53 HH22 ARG 53 -2.568 3.891 13.745
404 H LYS 54 H LYS 54 2.060 3.291 16.275
405 HA LYS 54 HA LYS 54 4.314 1.392 16.606
406 HB2 LYS 54 HB2 LYS 54 4.472 2.118 18.964
407 HB3 LYS 54 HB3 LYS 54 4.740 3.477 17.877
408 HG2 LYS 54 HG2 LYS 54 2.514 4.341 18.300
409 HG3 LYS 54 HG3 LYS 54 2.093 2.917 19.259
410 HD2 LYS 54 HD2 LYS 54 3.863 3.556 20.915
411 HD3 LYS 54 HD3 LYS 54 4.198 5.006 19.964
412 HE2 LYS 54 HE2 LYS 54 1.967 5.866 20.407
413 HE3 LYS 54 HE3 LYS 54 1.511 4.370 21.222
414 HZ1 LYS 54 HZ1 LYS 54 2.067 6.128 22.790
415 HZ2 LYS 54 HZ2 LYS 54 3.623 6.246 22.142
416 HZ3 LYS 54 HZ3 LYS 54 3.142 4.832 22.930
417 H GLU 55 H GLU 55 3.888 -0.193 18.379
418 HA GLU 55 HA GLU 55 2.768 -1.969 19.203
419 HB2 GLU 55 HB2 GLU 55 0.458 0.011 19.415
420 HB3 GLU 55 HB3 GLU 55 0.503 -1.566 20.198
421 HG2 GLU 55 HG2 GLU 55 2.306 0.809 20.772
422 HG3 GLU 55 HG3 GLU 55 1.067 0.131 21.829
423 H GLY 56 H GLY 56 0.223 -3.042 18.933
424 HA2 GLY 56 HA2 GLY 56 -1.075 -4.273 17.489
425 HA3 GLY 56 HA3 GLY 56 -0.696 -3.112 16.223
426 H ILE 57 H ILE 57 -0.034 -4.314 14.525
427 HA ILE 57 HA ILE 57 0.826 -5.941 13.229
428 HB ILE 57 HB ILE 57 3.300 -5.299 14.892
429 HG12 ILE 57 HG12 ILE 57 3.991 -4.077 12.730
430 HG13 ILE 57 HG13 ILE 57 2.357 -4.341 12.148
431 HG21 ILE 57 HG21 ILE 57 3.630 -7.523 13.902
432 HG22 ILE 57 HG22 ILE 57 4.660 -6.343 13.088
433 HG23 ILE 57 HG23 ILE 57 3.176 -6.902 12.313
434 HD11 ILE 57 HD11 ILE 57 3.136 -2.719 14.558
435 HD12 ILE 57 HD12 ILE 57 1.493 -2.945 13.954
436 HD13 ILE 57 HD13 ILE 57 2.686 -2.090 12.975
437 H GLN 58 H GLN 58 -0.222 -7.826 13.521
438 HA GLN 58 HA GLN 58 -0.432 -9.150 15.981
439 HB2 GLN 58 HB2 GLN 58 -1.710 -10.900 14.762
440 HB3 GLN 58 HB3 GLN 58 -2.257 -9.271 14.399
441 HG2 GLN 58 HG2 GLN 58 -1.206 -9.326 12.218
442 HG3 GLN 58 HG3 GLN 58 -0.425 -10.865 12.577
443 HE21 GLN 58 HE21 GLN 58 -2.163 -10.260 10.356
444 HE22 GLN 58 HE22 GLN 58 -3.513 -11.328 10.469
445 H THR 59 H THR 59 1.451 -9.861 16.871
446 HA THR 59 HA THR 59 3.090 -11.865 15.517
447 HB THR 59 HB THR 59 4.250 -10.236 16.954
448 HG1 THR 59 HG1 THR 59 5.312 -12.135 16.815
449 HG21 THR 59 HG21 THR 59 4.069 -10.271 19.417
450 HG22 THR 59 HG22 THR 59 2.768 -11.459 19.320
451 HG23 THR 59 HG23 THR 59 2.520 -9.831 18.689
452 H ARG 60 H ARG 60 2.879 -14.106 15.889
453 HA ARG 60 HA ARG 60 0.566 -14.932 17.530
454 HB2 ARG 60 HB2 ARG 60 -0.234 -14.186 15.265
455 HB3 ARG 60 HB3 ARG 60 0.782 -15.415 14.527
456 HG2 ARG 60 HG2 ARG 60 -1.507 -16.194 14.585
457 HG3 ARG 60 HG3 ARG 60 -0.543 -17.180 15.687
458 HD2 ARG 60 HD2 ARG 60 -1.439 -16.003 17.607
459 HD3 ARG 60 HD3 ARG 60 -2.260 -14.833 16.569
460 HE ARG 60 HE ARG 60 -2.969 -17.716 16.672
461 HH11 ARG 60 HH11 ARG 60 -3.966 -14.344 16.538
462 HH12 ARG 60 HH12 ARG 60 -5.654 -14.722 16.484
463 HH21 ARG 60 HH21 ARG 60 -5.210 -18.179 16.622
464 HH22 ARG 60 HH22 ARG 60 -6.353 -16.882 16.532
465 H LYS 61 H LYS 61 1.289 -16.596 18.687
466 HA LYS 61 HA LYS 61 2.631 -18.862 17.322
467 HB2 LYS 61 HB2 LYS 61 3.214 -19.699 19.580
468 HB3 LYS 61 HB3 LYS 61 3.858 -18.084 19.319
469 HG2 LYS 61 HG2 LYS 61 1.995 -17.139 20.665
470 HG3 LYS 61 HG3 LYS 61 1.402 -18.778 20.967
471 HD2 LYS 61 HD2 LYS 61 3.601 -19.319 22.064
472 HD3 LYS 61 HD3 LYS 61 4.101 -17.642 21.828
473 HE2 LYS 61 HE2 LYS 61 2.276 -16.878 23.279
474 HE3 LYS 61 HE3 LYS 61 1.717 -18.541 23.468
475 HZ1 LYS 61 HZ1 LYS 61 3.921 -19.050 24.460
476 HZ2 LYS 61 HZ2 LYS 61 2.987 -17.979 25.372
477 HZ3 LYS 61 HZ3 LYS 61 4.275 -17.396 24.442
478 H ARG 62 H ARG 62 1.782 -21.038 18.057
479 HA ARG 62 HA ARG 62 0.160 -22.588 17.856
480 HB2 ARG 62 HB2 ARG 62 -1.810 -20.463 18.774
481 HB3 ARG 62 HB3 ARG 62 -2.255 -22.128 18.439
482 HG2 ARG 62 HG2 ARG 62 -0.733 -22.838 20.313
483 HG3 ARG 62 HG3 ARG 62 -0.477 -21.130 20.692
484 HD2 ARG 62 HD2 ARG 62 -2.978 -20.895 20.958
485 HD3 ARG 62 HD3 ARG 62 -3.117 -22.640 20.745
486 HE ARG 62 HE ARG 62 -1.457 -22.565 22.812
487 HH11 ARG 62 HH11 ARG 62 -4.402 -20.703 22.258
488 HH12 ARG 62 HH12 ARG 62 -4.770 -20.549 23.946
489 HH21 ARG 62 HH21 ARG 62 -1.949 -22.312 25.048
490 HH22 ARG 62 HH22 ARG 62 -3.386 -21.459 25.518
491 H LYS 63 H LYS 63 -0.917 -19.429 16.654
492 HA LYS 63 HA LYS 63 -2.003 -18.666 14.891
493 HB2 LYS 63 HB2 LYS 63 -1.301 -21.265 13.471
494 HB3 LYS 63 HB3 LYS 63 -1.937 -19.813 12.702
495 HG2 LYS 63 HG2 LYS 63 0.141 -18.589 13.457
496 HG3 LYS 63 HG3 LYS 63 0.786 -20.137 14.020
497 HD2 LYS 63 HD2 LYS 63 0.054 -19.404 11.152
498 HD3 LYS 63 HD3 LYS 63 1.682 -19.607 11.798
499 HE2 LYS 63 HE2 LYS 63 1.204 -22.009 12.209
500 HE3 LYS 63 HE3 LYS 63 -0.410 -21.796 11.529
501 HZ1 LYS 63 HZ1 LYS 63 0.698 -21.060 9.442
502 HZ2 LYS 63 HZ2 LYS 63 0.968 -22.677 9.837
503 HZ3 LYS 63 HZ3 LYS 63 2.183 -21.532 10.101
Start of MODEL 5
1 H1 SER 1 H1 SER 1 -8.556 10.949 -13.047
2 H2 SER 1 H2 SER 1 -10.190 11.261 -12.783
3 H3 SER 1 H3 SER 1 -9.583 9.693 -12.587
4 HA SER 1 HA SER 1 -9.992 10.834 -10.475
5 HB2 SER 1 HB2 SER 1 -7.063 10.225 -11.076
6 HB3 SER 1 HB3 SER 1 -7.818 10.195 -9.478
7 HG SER 1 HG SER 1 -7.587 8.121 -10.650
8 H HIS 2 H HIS 2 -9.291 12.490 -8.978
9 HA HIS 2 HA HIS 2 -7.591 14.669 -9.908
10 HB2 HIS 2 HB2 HIS 2 -9.958 15.147 -10.779
11 HB3 HIS 2 HB3 HIS 2 -10.489 15.273 -9.107
12 HD2 HIS 2 HD2 HIS 2 -8.512 17.305 -11.774
13 HE1 HIS 2 HE1 HIS 2 -8.868 19.673 -8.285
14 HE2 HIS 2 HE2 HIS 2 -8.327 19.670 -10.756
15 H MET 3 H MET 3 -7.123 16.205 -8.122
16 HA MET 3 HA MET 3 -6.605 14.773 -5.696
17 HB2 MET 3 HB2 MET 3 -5.055 16.487 -6.732
18 HB3 MET 3 HB3 MET 3 -6.173 17.751 -6.241
19 HG2 MET 3 HG2 MET 3 -5.762 17.276 -3.895
20 HG3 MET 3 HG3 MET 3 -4.808 15.850 -4.309
21 HE1 MET 3 HE1 MET 3 -2.057 18.236 -2.888
22 HE2 MET 3 HE2 MET 3 -2.767 16.623 -2.814
23 HE3 MET 3 HE3 MET 3 -3.704 18.028 -2.299
24 H SER 4 H SER 4 -8.932 17.256 -6.627
25 HA SER 4 HA SER 4 -10.129 17.525 -4.019
26 HB2 SER 4 HB2 SER 4 -10.390 19.331 -5.696
27 HB3 SER 4 HB3 SER 4 -11.234 18.230 -6.781
28 HG SER 4 HG SER 4 -12.105 19.453 -4.429
29 H ALA 5 H ALA 5 -10.499 15.446 -3.316
30 HA ALA 5 HA ALA 5 -11.854 13.414 -4.830
31 HB1 ALA 5 HB1 ALA 5 -11.167 13.507 -1.865
32 HB2 ALA 5 HB2 ALA 5 -10.147 12.839 -3.142
33 HB3 ALA 5 HB3 ALA 5 -11.692 12.078 -2.762
34 H SER 6 H SER 6 -12.750 15.646 -2.194
35 HA SER 6 HA SER 6 -14.632 16.017 -0.984
36 HB2 SER 6 HB2 SER 6 -16.021 15.430 -3.637
37 HB3 SER 6 HB3 SER 6 -16.718 16.322 -2.281
38 HG SER 6 HG SER 6 -14.637 17.064 -4.031
39 H ARG 7 H ARG 7 -14.036 14.085 0.174
40 HA ARG 7 HA ARG 7 -14.971 11.492 -0.653
41 HB2 ARG 7 HB2 ARG 7 -13.754 10.694 1.418
42 HB3 ARG 7 HB3 ARG 7 -12.785 11.576 0.258
43 HG2 ARG 7 HG2 ARG 7 -11.976 12.502 2.186
44 HG3 ARG 7 HG3 ARG 7 -13.280 13.637 1.863
45 HD2 ARG 7 HD2 ARG 7 -13.627 11.253 3.701
46 HD3 ARG 7 HD3 ARG 7 -12.981 12.789 4.270
47 HE ARG 7 HE ARG 7 -15.327 13.434 3.025
48 HH11 ARG 7 HH11 ARG 7 -14.461 11.311 5.723
49 HH12 ARG 7 HH12 ARG 7 -16.000 11.494 6.506
50 HH21 ARG 7 HH21 ARG 7 -17.340 13.619 4.037
51 HH22 ARG 7 HH22 ARG 7 -17.631 12.811 5.542
52 H ARG 8 H ARG 8 -15.931 9.974 0.930
53 HA ARG 8 HA ARG 8 -17.846 11.139 2.867
54 HB2 ARG 8 HB2 ARG 8 -18.370 8.931 0.819
55 HB3 ARG 8 HB3 ARG 8 -19.434 9.252 2.187
56 HG2 ARG 8 HG2 ARG 8 -20.046 11.416 1.306
57 HG3 ARG 8 HG3 ARG 8 -18.796 11.323 0.059
58 HD2 ARG 8 HD2 ARG 8 -21.221 9.490 0.252
59 HD3 ARG 8 HD3 ARG 8 -21.062 10.858 -0.852
60 HE ARG 8 HE ARG 8 -18.902 9.418 -1.488
61 HH11 ARG 8 HH11 ARG 8 -22.257 8.334 -1.116
62 HH12 ARG 8 HH12 ARG 8 -22.083 7.040 -2.256
63 HH21 ARG 8 HH21 ARG 8 -18.706 7.755 -2.991
64 HH22 ARG 8 HH22 ARG 8 -20.052 6.718 -3.333
65 H VAL 9 H VAL 9 -18.720 9.048 4.182
66 HA VAL 9 HA VAL 9 -16.352 7.744 5.300
67 HB VAL 9 HB VAL 9 -19.266 7.617 6.236
68 HG11 VAL 9 HG11 VAL 9 -16.715 6.748 7.646
69 HG12 VAL 9 HG12 VAL 9 -17.981 5.689 7.023
70 HG13 VAL 9 HG13 VAL 9 -18.324 6.770 8.374
71 HG21 VAL 9 HG21 VAL 9 -18.601 9.248 7.989
72 HG22 VAL 9 HG22 VAL 9 -18.423 9.925 6.368
73 HG23 VAL 9 HG23 VAL 9 -16.999 9.380 7.257
74 H GLY 10 H GLY 10 -15.724 5.860 4.376
75 HA2 GLY 10 HA2 GLY 10 -17.640 3.685 3.986
76 HA3 GLY 10 HA3 GLY 10 -16.790 4.225 2.535
77 H LEU 11 H LEU 11 -14.898 3.213 2.126
78 HA LEU 11 HA LEU 11 -13.478 1.659 4.108
79 HB2 LEU 11 HB2 LEU 11 -12.799 2.385 1.215
80 HB3 LEU 11 HB3 LEU 11 -11.830 1.305 2.206
81 HG LEU 11 HG LEU 11 -14.695 0.779 1.296
82 HD11 LEU 11 HD11 LEU 11 -12.090 -0.499 0.366
83 HD12 LEU 11 HD12 LEU 11 -13.078 0.635 -0.559
84 HD13 LEU 11 HD13 LEU 11 -13.719 -0.953 -0.149
85 HD21 LEU 11 HD21 LEU 11 -14.372 -1.470 2.238
86 HD22 LEU 11 HD22 LEU 11 -14.261 -0.221 3.474
87 HD23 LEU 11 HD23 LEU 11 -12.791 -0.986 2.863
88 H SER 12 H SER 12 -11.419 2.117 4.868
89 HA SER 12 HA SER 12 -10.229 4.774 4.320
90 HB2 SER 12 HB2 SER 12 -10.271 3.309 7.004
91 HB3 SER 12 HB3 SER 12 -9.524 4.870 6.686
92 HG SER 12 HG SER 12 -12.216 4.712 6.051
93 H CYS 13 H CYS 13 -7.927 4.692 4.166
94 HA CYS 13 HA CYS 13 -6.542 2.433 3.273
95 HB2 CYS 13 HB2 CYS 13 -5.779 4.776 2.978
96 HB3 CYS 13 HB3 CYS 13 -5.453 4.913 4.695
97 H ALA 14 H ALA 14 -6.034 0.633 4.317
98 HA ALA 14 HA ALA 14 -6.514 0.100 7.000
99 HB1 ALA 14 HB1 ALA 14 -5.374 -2.037 6.635
100 HB2 ALA 14 HB2 ALA 14 -4.670 -1.417 5.136
101 HB3 ALA 14 HB3 ALA 14 -6.418 -1.635 5.266
102 H ASN 15 H ASN 15 -3.839 1.711 5.662
103 HA ASN 15 HA ASN 15 -2.081 1.269 7.977
104 HB2 ASN 15 HB2 ASN 15 -1.074 0.905 5.719
105 HB3 ASN 15 HB3 ASN 15 -1.450 2.573 5.292
106 HD21 ASN 15 HD21 ASN 15 0.689 3.100 4.957
107 HD22 ASN 15 HD22 ASN 15 1.835 3.248 6.232
108 H CYS 16 H CYS 16 -2.893 4.093 5.832
109 HA CYS 16 HA CYS 16 -2.149 5.907 8.017
110 HB2 CYS 16 HB2 CYS 16 -2.140 7.639 6.198
111 HB3 CYS 16 HB3 CYS 16 -1.077 6.272 5.874
112 H GLN 17 H GLN 17 -5.003 4.568 6.944
113 HA GLN 17 HA GLN 17 -7.176 4.862 7.290
114 HB2 GLN 17 HB2 GLN 17 -6.258 6.931 9.328
115 HB3 GLN 17 HB3 GLN 17 -7.927 6.386 9.167
116 HG2 GLN 17 HG2 GLN 17 -7.208 4.068 9.695
117 HG3 GLN 17 HG3 GLN 17 -5.550 4.640 9.906
118 HE21 GLN 17 HE21 GLN 17 -8.792 4.687 11.222
119 HE22 GLN 17 HE22 GLN 17 -8.368 5.247 12.800
120 H THR 18 H THR 18 -5.600 6.955 5.438
121 HA THR 18 HA THR 18 -7.498 9.098 5.262
122 HB THR 18 HB THR 18 -5.099 9.356 4.471
123 HG1 THR 18 HG1 THR 18 -5.814 10.926 3.222
124 HG21 THR 18 HG21 THR 18 -4.520 8.690 2.169
125 HG22 THR 18 HG22 THR 18 -6.067 7.845 2.011
126 HG23 THR 18 HG23 THR 18 -4.854 7.266 3.157
127 H THR 19 H THR 19 -9.322 9.183 4.149
128 HA THR 19 HA THR 19 -10.345 6.820 2.747
129 HB THR 19 HB THR 19 -12.530 8.162 2.783
130 HG1 THR 19 HG1 THR 19 -11.559 10.242 2.992
131 HG21 THR 19 HG21 THR 19 -12.027 6.468 4.548
132 HG22 THR 19 HG22 THR 19 -12.946 7.829 5.195
133 HG23 THR 19 HG23 THR 19 -11.212 7.713 5.499
134 H THR 20 H THR 20 -8.830 9.771 1.978
135 HA THR 20 HA THR 20 -10.150 10.266 -0.559
136 HB THR 20 HB THR 20 -8.358 12.070 -0.810
137 HG1 THR 20 HG1 THR 20 -6.783 11.103 0.601
138 HG21 THR 20 HG21 THR 20 -9.979 12.156 1.755
139 HG22 THR 20 HG22 THR 20 -10.566 12.605 0.152
140 HG23 THR 20 HG23 THR 20 -9.292 13.553 0.923
141 H THR 21 H THR 21 -9.809 8.460 -1.793
142 HA THR 21 HA THR 21 -7.606 8.664 -3.565
143 HB THR 21 HB THR 21 -6.422 7.284 -1.899
144 HG1 THR 21 HG1 THR 21 -6.921 5.348 -3.850
145 HG21 THR 21 HG21 THR 21 -8.642 5.242 -2.267
146 HG22 THR 21 HG22 THR 21 -8.323 6.176 -0.802
147 HG23 THR 21 HG23 THR 21 -7.152 4.984 -1.366
148 H THR 22 H THR 22 -8.208 7.827 -5.578
149 HA THR 22 HA THR 22 -10.918 6.849 -5.913
150 HB THR 22 HB THR 22 -10.175 6.708 -8.388
151 HG1 THR 22 HG1 THR 22 -8.151 7.151 -8.859
152 HG21 THR 22 HG21 THR 22 -10.202 9.147 -8.720
153 HG22 THR 22 HG22 THR 22 -9.879 9.402 -7.003
154 HG23 THR 22 HG23 THR 22 -11.405 8.674 -7.521
155 H LEU 23 H LEU 23 -7.644 5.578 -6.552
156 HA LEU 23 HA LEU 23 -8.651 2.874 -6.973
157 HB2 LEU 23 HB2 LEU 23 -6.841 3.827 -8.409
158 HB3 LEU 23 HB3 LEU 23 -5.792 3.920 -7.005
159 HG LEU 23 HG LEU 23 -5.831 1.427 -6.808
160 HD11 LEU 23 HD11 LEU 23 -7.490 1.486 -9.341
161 HD12 LEU 23 HD12 LEU 23 -8.028 0.965 -7.742
162 HD13 LEU 23 HD13 LEU 23 -6.793 0.044 -8.595
163 HD21 LEU 23 HD21 LEU 23 -4.454 0.926 -8.787
164 HD22 LEU 23 HD22 LEU 23 -4.030 2.487 -8.086
165 HD23 LEU 23 HD23 LEU 23 -5.004 2.418 -9.557
166 H TRP 24 H TRP 24 -9.403 2.175 -5.005
167 HA TRP 24 HA TRP 24 -7.763 1.984 -2.648
168 HB2 TRP 24 HB2 TRP 24 -10.327 0.555 -3.492
169 HB3 TRP 24 HB3 TRP 24 -9.498 0.184 -1.980
170 HD1 TRP 24 HD1 TRP 24 -12.106 2.452 -3.306
171 HE1 TRP 24 HE1 TRP 24 -12.617 4.332 -1.623
172 HE3 TRP 24 HE3 TRP 24 -8.103 1.828 -0.171
173 HZ2 TRP 24 HZ2 TRP 24 -11.449 5.413 0.747
174 HZ3 TRP 24 HZ3 TRP 24 -7.868 3.331 1.763
175 HH2 TRP 24 HH2 TRP 24 -9.506 5.089 2.206
176 H ARG 25 H ARG 25 -5.843 1.107 -3.116
177 HA ARG 25 HA ARG 25 -5.486 -1.196 -4.834
178 HB2 ARG 25 HB2 ARG 25 -3.442 0.163 -3.019
179 HB3 ARG 25 HB3 ARG 25 -3.110 -0.924 -4.371
180 HG2 ARG 25 HG2 ARG 25 -4.159 0.785 -5.899
181 HG3 ARG 25 HG3 ARG 25 -4.257 1.879 -4.515
182 HD2 ARG 25 HD2 ARG 25 -2.295 2.421 -5.798
183 HD3 ARG 25 HD3 ARG 25 -1.781 1.712 -4.270
184 HE ARG 25 HE ARG 25 -1.507 -0.428 -5.582
185 HH11 ARG 25 HH11 ARG 25 -1.180 2.707 -7.144
186 HH12 ARG 25 HH12 ARG 25 -0.125 2.118 -8.385
187 HH21 ARG 25 HH21 ARG 25 -0.166 -1.207 -7.226
188 HH22 ARG 25 HH22 ARG 25 0.450 -0.120 -8.424
189 H ARG 26 H ARG 26 -4.139 -3.072 -3.979
190 HA ARG 26 HA ARG 26 -4.832 -3.795 -1.187
191 HB2 ARG 26 HB2 ARG 26 -4.082 -5.616 -3.527
192 HB3 ARG 26 HB3 ARG 26 -4.421 -6.161 -1.885
193 HG2 ARG 26 HG2 ARG 26 -6.379 -4.883 -3.824
194 HG3 ARG 26 HG3 ARG 26 -6.357 -6.565 -3.290
195 HD2 ARG 26 HD2 ARG 26 -6.885 -5.817 -0.978
196 HD3 ARG 26 HD3 ARG 26 -6.914 -4.142 -1.535
197 HE ARG 26 HE ARG 26 -8.896 -6.221 -2.051
198 HH11 ARG 26 HH11 ARG 26 -7.872 -2.899 -2.630
199 HH12 ARG 26 HH12 ARG 26 -9.422 -2.403 -3.222
200 HH21 ARG 26 HH21 ARG 26 -10.879 -5.588 -2.821
201 HH22 ARG 26 HH22 ARG 26 -11.139 -3.950 -3.325
202 H ASN 27 H ASN 27 -3.218 -3.901 0.221
203 HA ASN 27 HA ASN 27 -0.460 -3.553 -0.537
204 HB2 ASN 27 HB2 ASN 27 -0.004 -3.811 1.904
205 HB3 ASN 27 HB3 ASN 27 -1.229 -2.602 1.579
206 HD21 ASN 27 HD21 ASN 27 -1.838 -2.803 3.783
207 HD22 ASN 27 HD22 ASN 27 -2.798 -4.128 4.340
208 H ALA 28 H ALA 28 1.092 -5.249 0.754
209 HA ALA 28 HA ALA 28 1.152 -7.532 -0.878
210 HB1 ALA 28 HB1 ALA 28 3.076 -8.244 0.482
211 HB2 ALA 28 HB2 ALA 28 2.640 -7.068 1.725
212 HB3 ALA 28 HB3 ALA 28 3.162 -6.514 0.135
213 H GLU 29 H GLU 29 -0.576 -7.037 2.058
214 HA GLU 29 HA GLU 29 -0.898 -9.836 2.746
215 HB2 GLU 29 HB2 GLU 29 -2.416 -7.383 3.769
216 HB3 GLU 29 HB3 GLU 29 -2.406 -8.983 4.515
217 HG2 GLU 29 HG2 GLU 29 -0.071 -8.756 5.131
218 HG3 GLU 29 HG3 GLU 29 0.077 -7.265 4.200
219 H GLY 30 H GLY 30 -2.957 -7.195 1.504
220 HA2 GLY 30 HA2 GLY 30 -4.507 -7.843 -0.398
221 HA3 GLY 30 HA3 GLY 30 -5.096 -9.092 0.691
222 H GLU 31 H GLU 31 -4.243 -6.260 2.344
223 HA GLU 31 HA GLU 31 -7.001 -5.579 2.939
224 HB2 GLU 31 HB2 GLU 31 -4.375 -4.444 4.000
225 HB3 GLU 31 HB3 GLU 31 -5.972 -4.003 4.606
226 HG2 GLU 31 HG2 GLU 31 -4.738 -6.775 4.712
227 HG3 GLU 31 HG3 GLU 31 -4.836 -5.648 6.065
228 HA PRO 32 HA PRO 32 -7.261 -2.162 0.056
229 HB2 PRO 32 HB2 PRO 32 -9.338 -0.709 1.075
230 HB3 PRO 32 HB3 PRO 32 -9.574 -2.330 0.384
231 HG2 PRO 32 HG2 PRO 32 -9.350 -1.535 3.273
232 HG3 PRO 32 HG3 PRO 32 -10.496 -2.658 2.505
233 HD2 PRO 32 HD2 PRO 32 -8.242 -3.505 3.831
234 HD3 PRO 32 HD3 PRO 32 -8.972 -4.414 2.488
235 H VAL 33 H VAL 33 -5.387 -1.000 0.178
236 HA VAL 33 HA VAL 33 -5.161 1.201 2.160
237 HB VAL 33 HB VAL 33 -2.745 1.342 1.504
238 HG11 VAL 33 HG11 VAL 33 -3.400 0.044 3.481
239 HG12 VAL 33 HG12 VAL 33 -2.006 -0.696 2.691
240 HG13 VAL 33 HG13 VAL 33 -3.612 -1.405 2.490
241 HG21 VAL 33 HG21 VAL 33 -3.312 -1.166 -0.138
242 HG22 VAL 33 HG22 VAL 33 -1.711 -0.477 0.155
243 HG23 VAL 33 HG23 VAL 33 -2.904 0.428 -0.779
244 H CYS 34 H CYS 34 -4.472 3.261 1.339
245 HA CYS 34 HA CYS 34 -5.731 4.141 -1.044
246 HB2 CYS 34 HB2 CYS 34 -4.668 6.338 -0.491
247 HB3 CYS 34 HB3 CYS 34 -5.505 5.623 0.886
248 H ASN 35 H ASN 35 -4.603 5.356 -2.789
249 HA ASN 35 HA ASN 35 -2.652 3.759 -4.076
250 HB2 ASN 35 HB2 ASN 35 -4.348 5.174 -5.302
251 HB3 ASN 35 HB3 ASN 35 -3.455 6.614 -4.819
252 HD21 ASN 35 HD21 ASN 35 -1.579 7.132 -5.887
253 HD22 ASN 35 HD22 ASN 35 -1.015 6.324 -7.306
254 H ALA 36 H ALA 36 -2.422 6.664 -2.094
255 HA ALA 36 HA ALA 36 0.244 7.429 -2.561
256 HB1 ALA 36 HB1 ALA 36 0.069 8.622 -0.411
257 HB2 ALA 36 HB2 ALA 36 -1.390 7.704 -0.017
258 HB3 ALA 36 HB3 ALA 36 -1.398 8.832 -1.374
259 H CYS 37 H CYS 37 -1.125 4.982 -0.370
260 HA CYS 37 HA CYS 37 1.421 4.335 0.896
261 HB2 CYS 37 HB2 CYS 37 -1.307 2.978 1.148
262 HB3 CYS 37 HB3 CYS 37 0.127 2.539 2.079
263 H GLY 38 H GLY 38 -0.635 3.093 -1.671
264 HA2 GLY 38 HA2 GLY 38 0.440 0.457 -1.931
265 HA3 GLY 38 HA3 GLY 38 -0.564 1.302 -3.099
266 H LEU 39 H LEU 39 1.104 3.530 -3.589
267 HA LEU 39 HA LEU 39 2.954 2.597 -5.505
268 HB2 LEU 39 HB2 LEU 39 2.748 5.330 -4.161
269 HB3 LEU 39 HB3 LEU 39 3.825 4.987 -5.510
270 HG LEU 39 HG LEU 39 0.780 4.895 -5.597
271 HD11 LEU 39 HD11 LEU 39 1.661 7.178 -5.515
272 HD12 LEU 39 HD12 LEU 39 0.975 6.825 -7.098
273 HD13 LEU 39 HD13 LEU 39 2.729 6.835 -6.879
274 HD21 LEU 39 HD21 LEU 39 2.803 4.337 -7.788
275 HD22 LEU 39 HD22 LEU 39 1.060 4.503 -8.019
276 HD23 LEU 39 HD23 LEU 39 1.692 3.175 -7.050
277 H TYR 40 H TYR 40 3.362 3.755 -2.176
278 HA TYR 40 HA TYR 40 6.188 3.800 -2.076
279 HB2 TYR 40 HB2 TYR 40 4.504 4.919 -0.450
280 HB3 TYR 40 HB3 TYR 40 4.370 3.354 0.339
281 HD1 TYR 40 HD1 TYR 40 6.425 2.374 1.514
282 HD2 TYR 40 HD2 TYR 40 6.410 6.335 -0.097
283 HE1 TYR 40 HE1 TYR 40 8.405 2.935 2.859
284 HE2 TYR 40 HE2 TYR 40 8.388 6.892 1.238
285 HH TYR 40 HH TYR 40 10.287 4.581 2.772
286 H MET 41 H MET 41 3.803 1.275 -1.354
287 HA MET 41 HA MET 41 5.662 -0.659 -0.330
288 HB2 MET 41 HB2 MET 41 3.302 -0.720 0.312
289 HB3 MET 41 HB3 MET 41 2.808 -0.971 -1.358
290 HG2 MET 41 HG2 MET 41 3.675 -3.193 -1.379
291 HG3 MET 41 HG3 MET 41 4.587 -2.932 0.108
292 HE1 MET 41 HE1 MET 41 3.612 -2.951 2.486
293 HE2 MET 41 HE2 MET 41 1.888 -3.006 2.860
294 HE3 MET 41 HE3 MET 41 2.579 -1.571 2.103
295 H LYS 42 H LYS 42 4.441 0.122 -3.550
296 HA LYS 42 HA LYS 42 5.523 -2.194 -4.872
297 HB2 LYS 42 HB2 LYS 42 3.674 -0.817 -5.842
298 HB3 LYS 42 HB3 LYS 42 4.774 0.537 -6.022
299 HG2 LYS 42 HG2 LYS 42 4.409 -0.495 -8.169
300 HG3 LYS 42 HG3 LYS 42 6.084 -0.755 -7.692
301 HD2 LYS 42 HD2 LYS 42 4.071 -2.943 -7.094
302 HD3 LYS 42 HD3 LYS 42 4.580 -2.713 -8.765
303 HE2 LYS 42 HE2 LYS 42 6.918 -3.073 -8.136
304 HE3 LYS 42 HE3 LYS 42 6.464 -3.224 -6.439
305 HZ1 LYS 42 HZ1 LYS 42 5.169 -5.206 -7.032
306 HZ2 LYS 42 HZ2 LYS 42 6.802 -5.383 -7.426
307 HZ3 LYS 42 HZ3 LYS 42 5.665 -5.063 -8.636
308 H LEU 43 H LEU 43 6.768 0.964 -3.967
309 HA LEU 43 HA LEU 43 9.161 0.869 -5.555
310 HB2 LEU 43 HB2 LEU 43 8.319 2.618 -3.211
311 HB3 LEU 43 HB3 LEU 43 9.816 2.852 -4.100
312 HG LEU 43 HG LEU 43 7.026 3.081 -5.302
313 HD11 LEU 43 HD11 LEU 43 7.427 5.502 -5.374
314 HD12 LEU 43 HD12 LEU 43 8.960 5.287 -4.522
315 HD13 LEU 43 HD13 LEU 43 7.436 4.890 -3.721
316 HD21 LEU 43 HD21 LEU 43 9.728 3.700 -6.541
317 HD22 LEU 43 HD22 LEU 43 8.151 4.008 -7.277
318 HD23 LEU 43 HD23 LEU 43 8.662 2.354 -6.960
319 H HIS 44 H HIS 44 8.489 0.409 -2.039
320 HA HIS 44 HA HIS 44 11.314 -0.438 -1.651
321 HB2 HIS 44 HB2 HIS 44 9.536 1.061 0.321
322 HB3 HIS 44 HB3 HIS 44 11.213 0.592 0.591
323 HD1 HIS 44 HD1 HIS 44 12.796 1.589 -1.589
324 HD2 HIS 44 HD2 HIS 44 9.429 3.706 -0.372
325 HE1 HIS 44 HE1 HIS 44 13.091 3.908 -2.498
326 HE2 HIS 44 HE2 HIS 44 11.165 5.206 -1.545
327 H GLY 45 H GLY 45 8.230 -1.668 -1.638
328 HA2 GLY 45 HA2 GLY 45 7.421 -3.718 -1.022
329 HA3 GLY 45 HA3 GLY 45 9.035 -4.142 -0.480
330 H VAL 46 H VAL 46 7.454 -1.356 0.867
331 HA VAL 46 HA VAL 46 6.504 -2.736 3.278
332 HB VAL 46 HB VAL 46 7.690 -1.065 4.763
333 HG11 VAL 46 HG11 VAL 46 9.873 -2.208 4.792
334 HG12 VAL 46 HG12 VAL 46 9.535 -2.905 3.203
335 HG13 VAL 46 HG13 VAL 46 8.544 -3.354 4.594
336 HG21 VAL 46 HG21 VAL 46 8.207 0.651 3.086
337 HG22 VAL 46 HG22 VAL 46 9.311 -0.451 2.260
338 HG23 VAL 46 HG23 VAL 46 9.688 0.123 3.888
339 HA PRO 47 HA PRO 47 3.367 0.486 3.076
340 HB2 PRO 47 HB2 PRO 47 2.604 0.757 5.720
341 HB3 PRO 47 HB3 PRO 47 2.162 -0.645 4.719
342 HG2 PRO 47 HG2 PRO 47 4.366 -0.402 6.740
343 HG3 PRO 47 HG3 PRO 47 3.240 -1.749 6.464
344 HD2 PRO 47 HD2 PRO 47 5.804 -1.766 5.524
345 HD3 PRO 47 HD3 PRO 47 4.483 -2.593 4.674
346 H ARG 48 H ARG 48 2.968 2.696 3.598
347 HA ARG 48 HA ARG 48 5.354 4.260 3.711
348 HB2 ARG 48 HB2 ARG 48 3.261 4.674 2.285
349 HB3 ARG 48 HB3 ARG 48 2.479 5.283 3.739
350 HG2 ARG 48 HG2 ARG 48 4.104 7.100 3.891
351 HG3 ARG 48 HG3 ARG 48 5.011 6.438 2.529
352 HD2 ARG 48 HD2 ARG 48 2.978 6.767 1.090
353 HD3 ARG 48 HD3 ARG 48 2.192 7.563 2.458
354 HE ARG 48 HE ARG 48 4.381 9.038 2.276
355 HH11 ARG 48 HH11 ARG 48 2.351 7.884 -0.363
356 HH12 ARG 48 HH12 ARG 48 2.699 9.240 -1.386
357 HH21 ARG 48 HH21 ARG 48 4.838 10.810 0.908
358 HH22 ARG 48 HH22 ARG 48 4.106 10.893 -0.660
359 HA PRO 49 HA PRO 49 5.446 4.525 8.192
360 HB2 PRO 49 HB2 PRO 49 7.245 6.605 8.522
361 HB3 PRO 49 HB3 PRO 49 7.727 4.967 8.033
362 HG2 PRO 49 HG2 PRO 49 7.256 7.380 6.300
363 HG3 PRO 49 HG3 PRO 49 8.598 6.211 6.258
364 HD2 PRO 49 HD2 PRO 49 6.552 6.034 4.515
365 HD3 PRO 49 HD3 PRO 49 7.320 4.573 5.174
366 H LEU 50 H LEU 50 4.488 5.683 9.876
367 HA LEU 50 HA LEU 50 2.788 7.970 9.050
368 HB2 LEU 50 HB2 LEU 50 2.234 5.896 11.217
369 HB3 LEU 50 HB3 LEU 50 1.141 7.171 10.691
370 HG LEU 50 HG LEU 50 2.007 4.740 9.073
371 HD11 LEU 50 HD11 LEU 50 -0.702 5.491 10.215
372 HD12 LEU 50 HD12 LEU 50 0.381 4.232 10.820
373 HD13 LEU 50 HD13 LEU 50 -0.339 4.075 9.222
374 HD21 LEU 50 HD21 LEU 50 0.210 7.033 8.219
375 HD22 LEU 50 HD22 LEU 50 0.445 5.527 7.327
376 HD23 LEU 50 HD23 LEU 50 1.798 6.629 7.560
377 H ALA 51 H ALA 51 3.082 9.833 10.068
378 HA ALA 51 HA ALA 51 4.782 10.163 12.379
379 HB1 ALA 51 HB1 ALA 51 4.242 12.569 12.120
380 HB2 ALA 51 HB2 ALA 51 3.030 12.168 10.900
381 HB3 ALA 51 HB3 ALA 51 4.736 11.856 10.581
382 H MET 52 H MET 52 3.703 8.924 13.973
383 HA MET 52 HA MET 52 0.980 9.464 14.769
384 HB2 MET 52 HB2 MET 52 3.163 7.870 16.182
385 HB3 MET 52 HB3 MET 52 1.485 7.946 16.704
386 HG2 MET 52 HG2 MET 52 0.785 6.879 14.591
387 HG3 MET 52 HG3 MET 52 2.472 6.785 14.084
388 HE1 MET 52 HE1 MET 52 3.948 4.255 16.741
389 HE2 MET 52 HE2 MET 52 3.956 6.015 16.837
390 HE3 MET 52 HE3 MET 52 4.308 5.212 15.304
391 H ARG 53 H ARG 53 0.954 11.644 15.120
392 HA ARG 53 HA ARG 53 1.922 12.603 17.717
393 HB2 ARG 53 HB2 ARG 53 3.500 13.283 15.737
394 HB3 ARG 53 HB3 ARG 53 2.198 14.339 15.215
395 HG2 ARG 53 HG2 ARG 53 3.540 14.513 17.933
396 HG3 ARG 53 HG3 ARG 53 4.052 15.427 16.520
397 HD2 ARG 53 HD2 ARG 53 2.615 17.057 17.142
398 HD3 ARG 53 HD3 ARG 53 1.281 15.974 16.742
399 HE ARG 53 HE ARG 53 2.394 15.643 19.400
400 HH11 ARG 53 HH11 ARG 53 -0.128 17.240 17.496
401 HH12 ARG 53 HH12 ARG 53 -1.106 17.576 18.888
402 HH21 ARG 53 HH21 ARG 53 1.152 16.235 21.189
403 HH22 ARG 53 HH22 ARG 53 -0.375 17.011 20.970
404 H LYS 54 H LYS 54 -0.151 12.442 18.462
405 HA LYS 54 HA LYS 54 -2.217 14.205 17.408
406 HB2 LYS 54 HB2 LYS 54 -3.914 12.449 17.195
407 HB3 LYS 54 HB3 LYS 54 -2.567 12.086 16.130
408 HG2 LYS 54 HG2 LYS 54 -2.934 10.780 18.845
409 HG3 LYS 54 HG3 LYS 54 -3.603 10.110 17.357
410 HD2 LYS 54 HD2 LYS 54 -1.313 9.882 16.427
411 HD3 LYS 54 HD3 LYS 54 -0.639 10.586 17.899
412 HE2 LYS 54 HE2 LYS 54 -0.407 8.152 17.947
413 HE3 LYS 54 HE3 LYS 54 -1.524 8.669 19.209
414 HZ1 LYS 54 HZ1 LYS 54 -2.308 6.702 18.027
415 HZ2 LYS 54 HZ2 LYS 54 -2.322 7.544 16.566
416 HZ3 LYS 54 HZ3 LYS 54 -3.376 7.994 17.809
417 H GLU 55 H GLU 55 -3.982 14.452 18.851
418 HA GLU 55 HA GLU 55 -3.460 13.756 21.693
419 HB2 GLU 55 HB2 GLU 55 -4.640 16.314 20.494
420 HB3 GLU 55 HB3 GLU 55 -4.613 15.949 22.220
421 HG2 GLU 55 HG2 GLU 55 -2.241 16.075 22.330
422 HG3 GLU 55 HG3 GLU 55 -2.080 16.021 20.575
423 H GLY 56 H GLY 56 -5.024 12.334 19.626
424 HA2 GLY 56 HA2 GLY 56 -7.833 12.639 20.408
425 HA3 GLY 56 HA3 GLY 56 -7.176 11.574 19.176
426 H ILE 57 H ILE 57 -7.567 11.967 22.682
427 HA ILE 57 HA ILE 57 -6.939 9.142 23.151
428 HB ILE 57 HB ILE 57 -7.774 11.375 25.061
429 HG12 ILE 57 HG12 ILE 57 -5.484 10.894 26.115
430 HG13 ILE 57 HG13 ILE 57 -5.126 9.863 24.735
431 HG21 ILE 57 HG21 ILE 57 -7.234 8.470 25.782
432 HG22 ILE 57 HG22 ILE 57 -8.789 9.301 25.871
433 HG23 ILE 57 HG23 ILE 57 -7.471 9.787 26.935
434 HD11 ILE 57 HD11 ILE 57 -5.302 11.824 23.260
435 HD12 ILE 57 HD12 ILE 57 -4.085 12.046 24.517
436 HD13 ILE 57 HD13 ILE 57 -5.655 12.835 24.664
437 H GLN 58 H GLN 58 -8.494 7.878 22.266
438 HA GLN 58 HA GLN 58 -11.307 8.480 22.215
439 HB2 GLN 58 HB2 GLN 58 -9.656 6.050 21.441
440 HB3 GLN 58 HB3 GLN 58 -11.409 5.970 21.452
441 HG2 GLN 58 HG2 GLN 58 -10.545 6.359 19.194
442 HG3 GLN 58 HG3 GLN 58 -11.552 7.697 19.732
443 HE21 GLN 58 HE21 GLN 58 -8.280 6.671 19.049
444 HE22 GLN 58 HE22 GLN 58 -7.602 8.251 18.885
445 H THR 59 H THR 59 -12.191 8.640 24.240
446 HA THR 59 HA THR 59 -11.708 6.584 26.280
447 HB THR 59 HB THR 59 -13.233 8.079 27.679
448 HG1 THR 59 HG1 THR 59 -14.075 9.058 25.512
449 HG21 THR 59 HG21 THR 59 -11.571 9.885 27.961
450 HG22 THR 59 HG22 THR 59 -10.830 9.457 26.415
451 HG23 THR 59 HG23 THR 59 -10.770 8.323 27.767
452 H ARG 60 H ARG 60 -12.876 4.727 26.126
453 HA ARG 60 HA ARG 60 -15.519 4.697 24.818
454 HB2 ARG 60 HB2 ARG 60 -13.647 3.005 24.245
455 HB3 ARG 60 HB3 ARG 60 -13.932 2.293 25.826
456 HG2 ARG 60 HG2 ARG 60 -15.260 0.931 24.492
457 HG3 ARG 60 HG3 ARG 60 -16.450 2.131 25.002
458 HD2 ARG 60 HD2 ARG 60 -16.699 1.745 22.638
459 HD3 ARG 60 HD3 ARG 60 -16.021 3.367 22.843
460 HE ARG 60 HE ARG 60 -13.850 1.689 22.576
461 HH11 ARG 60 HH11 ARG 60 -16.605 2.428 20.469
462 HH12 ARG 60 HH12 ARG 60 -15.719 2.077 19.022
463 HH21 ARG 60 HH21 ARG 60 -12.758 1.168 20.681
464 HH22 ARG 60 HH22 ARG 60 -13.540 1.368 19.145
465 H LYS 61 H LYS 61 -13.952 3.484 27.791
466 HA LYS 61 HA LYS 61 -14.684 2.517 29.673
467 HB2 LYS 61 HB2 LYS 61 -16.781 4.725 29.496
468 HB3 LYS 61 HB3 LYS 61 -16.546 3.707 30.917
469 HG2 LYS 61 HG2 LYS 61 -14.184 4.535 31.071
470 HG3 LYS 61 HG3 LYS 61 -14.520 5.641 29.730
471 HD2 LYS 61 HD2 LYS 61 -16.235 6.792 31.079
472 HD3 LYS 61 HD3 LYS 61 -16.005 5.640 32.400
473 HE2 LYS 61 HE2 LYS 61 -13.675 6.444 32.675
474 HE3 LYS 61 HE3 LYS 61 -13.927 7.593 31.358
475 HZ1 LYS 61 HZ1 LYS 61 -15.407 7.570 33.933
476 HZ2 LYS 61 HZ2 LYS 61 -15.644 8.669 32.669
477 HZ3 LYS 61 HZ3 LYS 61 -14.179 8.645 33.512
478 H ARG 62 H ARG 62 -15.088 0.787 28.062
479 HA ARG 62 HA ARG 62 -17.821 0.157 27.355
480 HB2 ARG 62 HB2 ARG 62 -15.872 -0.339 25.847
481 HB3 ARG 62 HB3 ARG 62 -15.318 -1.549 26.994
482 HG2 ARG 62 HG2 ARG 62 -16.478 -2.598 25.110
483 HG3 ARG 62 HG3 ARG 62 -17.378 -2.872 26.603
484 HD2 ARG 62 HD2 ARG 62 -18.969 -1.112 25.998
485 HD3 ARG 62 HD3 ARG 62 -18.033 -0.725 24.551
486 HE ARG 62 HE ARG 62 -18.567 -3.215 23.999
487 HH11 ARG 62 HH11 ARG 62 -20.793 -0.930 25.493
488 HH12 ARG 62 HH12 ARG 62 -22.206 -1.679 24.825
489 HH21 ARG 62 HH21 ARG 62 -20.399 -4.124 23.035
490 HH22 ARG 62 HH22 ARG 62 -21.975 -3.506 23.415
491 H LYS 63 H LYS 63 -18.663 0.133 29.483
492 HA LYS 63 HA LYS 63 -19.004 -2.501 30.531
493 HB2 LYS 63 HB2 LYS 63 -16.941 -1.931 31.771
494 HB3 LYS 63 HB3 LYS 63 -17.639 -0.412 32.312
495 HG2 LYS 63 HG2 LYS 63 -19.290 -1.613 33.668
496 HG3 LYS 63 HG3 LYS 63 -18.689 -3.163 33.069
497 HD2 LYS 63 HD2 LYS 63 -16.521 -2.781 34.164
498 HD3 LYS 63 HD3 LYS 63 -17.037 -1.173 34.689
499 HE2 LYS 63 HE2 LYS 63 -17.179 -2.780 36.539
500 HE3 LYS 63 HE3 LYS 63 -18.793 -2.213 36.104
501 HZ1 LYS 63 HZ1 LYS 63 -19.106 -4.276 34.838
502 HZ2 LYS 63 HZ2 LYS 63 -18.788 -4.580 36.465
503 HZ3 LYS 63 HZ3 LYS 63 -17.574 -4.811 35.316
Start of MODEL 6
1 H1 SER 1 H1 SER 1 -10.673 17.884 -1.401
2 H2 SER 1 H2 SER 1 -9.318 17.079 -0.786
3 H3 SER 1 H3 SER 1 -10.071 18.282 0.127
4 HA SER 1 HA SER 1 -12.034 16.983 0.346
5 HB2 SER 1 HB2 SER 1 -10.518 14.845 -1.217
6 HB3 SER 1 HB3 SER 1 -12.151 14.695 -0.558
7 HG SER 1 HG SER 1 -12.281 15.241 -2.719
8 H HIS 2 H HIS 2 -11.496 17.191 2.492
9 HA HIS 2 HA HIS 2 -10.456 14.900 3.851
10 HB2 HIS 2 HB2 HIS 2 -8.315 16.160 3.178
11 HB3 HIS 2 HB3 HIS 2 -8.830 17.463 4.240
12 HD2 HIS 2 HD2 HIS 2 -8.125 13.578 4.701
13 HE1 HIS 2 HE1 HIS 2 -6.829 15.704 8.121
14 HE2 HIS 2 HE2 HIS 2 -7.145 13.414 7.094
15 H MET 3 H MET 3 -12.918 15.848 3.955
16 HA MET 3 HA MET 3 -13.409 17.693 6.112
17 HB2 MET 3 HB2 MET 3 -15.779 17.057 5.884
18 HB3 MET 3 HB3 MET 3 -15.070 17.403 4.318
19 HG2 MET 3 HG2 MET 3 -16.460 15.542 3.959
20 HG3 MET 3 HG3 MET 3 -14.834 14.863 4.034
21 HE1 MET 3 HE1 MET 3 -15.937 12.403 4.382
22 HE2 MET 3 HE2 MET 3 -17.541 13.136 4.300
23 HE3 MET 3 HE3 MET 3 -17.132 12.060 5.636
24 H SER 4 H SER 4 -14.285 17.187 8.186
25 HA SER 4 HA SER 4 -12.915 15.058 9.507
26 HB2 SER 4 HB2 SER 4 -15.023 16.980 10.584
27 HB3 SER 4 HB3 SER 4 -13.968 15.960 11.563
28 HG SER 4 HG SER 4 -12.333 17.263 11.191
29 H ALA 5 H ALA 5 -13.692 13.130 8.653
30 HA ALA 5 HA ALA 5 -16.466 12.353 8.683
31 HB1 ALA 5 HB1 ALA 5 -13.951 10.696 8.255
32 HB2 ALA 5 HB2 ALA 5 -14.920 11.456 6.992
33 HB3 ALA 5 HB3 ALA 5 -15.603 10.145 7.956
34 H SER 6 H SER 6 -17.522 11.801 10.476
35 HA SER 6 HA SER 6 -16.395 11.354 13.024
36 HB2 SER 6 HB2 SER 6 -18.710 12.200 12.698
37 HB3 SER 6 HB3 SER 6 -19.194 10.658 11.999
38 HG SER 6 HG SER 6 -19.095 11.378 14.573
39 H ARG 7 H ARG 7 -17.942 9.085 10.756
40 HA ARG 7 HA ARG 7 -16.079 6.987 11.198
41 HB2 ARG 7 HB2 ARG 7 -17.380 6.639 13.264
42 HB3 ARG 7 HB3 ARG 7 -18.889 6.644 12.368
43 HG2 ARG 7 HG2 ARG 7 -16.858 4.540 11.656
44 HG3 ARG 7 HG3 ARG 7 -17.692 4.374 13.199
45 HD2 ARG 7 HD2 ARG 7 -19.860 4.342 12.069
46 HD3 ARG 7 HD3 ARG 7 -19.089 4.641 10.509
47 HE ARG 7 HE ARG 7 -17.947 2.327 11.507
48 HH11 ARG 7 HH11 ARG 7 -21.200 3.332 10.607
49 HH12 ARG 7 HH12 ARG 7 -21.698 1.735 10.156
50 HH21 ARG 7 HH21 ARG 7 -18.622 0.230 10.905
51 HH22 ARG 7 HH22 ARG 7 -20.234 -0.019 10.327
52 H ARG 8 H ARG 8 -15.924 6.072 9.270
53 HA ARG 8 HA ARG 8 -18.136 6.258 7.322
54 HB2 ARG 8 HB2 ARG 8 -15.171 5.695 6.942
55 HB3 ARG 8 HB3 ARG 8 -16.351 5.674 5.635
56 HG2 ARG 8 HG2 ARG 8 -15.758 8.111 7.355
57 HG3 ARG 8 HG3 ARG 8 -14.989 7.788 5.803
58 HD2 ARG 8 HD2 ARG 8 -16.773 9.369 5.436
59 HD3 ARG 8 HD3 ARG 8 -17.272 7.829 4.734
60 HE ARG 8 HE ARG 8 -18.176 8.538 7.446
61 HH11 ARG 8 HH11 ARG 8 -19.033 7.999 4.077
62 HH12 ARG 8 HH12 ARG 8 -20.736 7.947 4.404
63 HH21 ARG 8 HH21 ARG 8 -20.400 8.438 7.851
64 HH22 ARG 8 HH22 ARG 8 -21.505 8.196 6.535
65 H VAL 9 H VAL 9 -18.148 4.353 5.725
66 HA VAL 9 HA VAL 9 -18.968 2.055 7.285
67 HB VAL 9 HB VAL 9 -19.163 2.507 4.269
68 HG11 VAL 9 HG11 VAL 9 -20.964 0.800 4.312
69 HG12 VAL 9 HG12 VAL 9 -20.675 0.539 6.035
70 HG13 VAL 9 HG13 VAL 9 -19.425 0.128 4.859
71 HG21 VAL 9 HG21 VAL 9 -21.241 3.097 6.423
72 HG22 VAL 9 HG22 VAL 9 -21.498 3.247 4.682
73 HG23 VAL 9 HG23 VAL 9 -20.340 4.301 5.497
74 H GLY 10 H GLY 10 -16.834 1.378 7.988
75 HA2 GLY 10 HA2 GLY 10 -15.520 -0.490 8.078
76 HA3 GLY 10 HA3 GLY 10 -16.057 -0.947 6.475
77 H LEU 11 H LEU 11 -15.072 0.549 4.672
78 HA LEU 11 HA LEU 11 -12.318 -0.049 4.666
79 HB2 LEU 11 HB2 LEU 11 -13.888 1.677 2.711
80 HB3 LEU 11 HB3 LEU 11 -12.269 1.045 2.441
81 HG LEU 11 HG LEU 11 -14.850 -0.561 2.617
82 HD11 LEU 11 HD11 LEU 11 -14.332 -1.172 0.289
83 HD12 LEU 11 HD12 LEU 11 -12.906 -0.130 0.330
84 HD13 LEU 11 HD13 LEU 11 -14.520 0.571 0.479
85 HD21 LEU 11 HD21 LEU 11 -12.007 -1.601 2.351
86 HD22 LEU 11 HD22 LEU 11 -13.474 -2.570 2.186
87 HD23 LEU 11 HD23 LEU 11 -13.079 -1.831 3.735
88 H SER 12 H SER 12 -10.823 1.013 5.697
89 HA SER 12 HA SER 12 -10.386 3.865 5.107
90 HB2 SER 12 HB2 SER 12 -9.730 2.542 7.791
91 HB3 SER 12 HB3 SER 12 -9.423 4.222 7.355
92 HG SER 12 HG SER 12 -11.970 3.891 6.970
93 H CYS 13 H CYS 13 -8.191 4.293 4.611
94 HA CYS 13 HA CYS 13 -6.518 2.313 3.561
95 HB2 CYS 13 HB2 CYS 13 -6.277 4.756 3.078
96 HB3 CYS 13 HB3 CYS 13 -5.662 5.003 4.710
97 H ALA 14 H ALA 14 -5.945 0.589 4.749
98 HA ALA 14 HA ALA 14 -5.807 0.405 7.525
99 HB1 ALA 14 HB1 ALA 14 -4.787 -1.801 7.168
100 HB2 ALA 14 HB2 ALA 14 -4.428 -1.379 5.489
101 HB3 ALA 14 HB3 ALA 14 -6.103 -1.524 6.030
102 H ASN 15 H ASN 15 -3.459 1.682 5.416
103 HA ASN 15 HA ASN 15 -1.223 1.439 7.269
104 HB2 ASN 15 HB2 ASN 15 -0.715 0.959 4.956
105 HB3 ASN 15 HB3 ASN 15 -1.468 2.458 4.415
106 HD21 ASN 15 HD21 ASN 15 -0.325 4.363 4.553
107 HD22 ASN 15 HD22 ASN 15 1.318 4.441 5.022
108 H CYS 16 H CYS 16 -2.475 4.260 5.353
109 HA CYS 16 HA CYS 16 -1.173 6.051 7.288
110 HB2 CYS 16 HB2 CYS 16 -1.494 7.801 5.568
111 HB3 CYS 16 HB3 CYS 16 -0.712 6.365 4.869
112 H GLN 17 H GLN 17 -4.219 4.779 6.846
113 HA GLN 17 HA GLN 17 -6.244 5.072 7.739
114 HB2 GLN 17 HB2 GLN 17 -4.856 6.965 9.673
115 HB3 GLN 17 HB3 GLN 17 -6.440 6.224 9.911
116 HG2 GLN 17 HG2 GLN 17 -5.374 3.985 9.916
117 HG3 GLN 17 HG3 GLN 17 -3.795 4.744 9.716
118 HE21 GLN 17 HE21 GLN 17 -3.009 3.897 11.628
119 HE22 GLN 17 HE22 GLN 17 -3.531 4.438 13.184
120 H THR 18 H THR 18 -6.632 6.124 5.594
121 HA THR 18 HA THR 18 -8.097 8.625 6.078
122 HB THR 18 HB THR 18 -6.043 9.348 4.880
123 HG1 THR 18 HG1 THR 18 -7.982 10.461 4.432
124 HG21 THR 18 HG21 THR 18 -5.503 7.290 3.605
125 HG22 THR 18 HG22 THR 18 -5.635 8.675 2.518
126 HG23 THR 18 HG23 THR 18 -6.957 7.509 2.625
127 H THR 19 H THR 19 -10.063 8.654 5.161
128 HA THR 19 HA THR 19 -10.999 6.290 3.674
129 HB THR 19 HB THR 19 -13.287 7.097 4.311
130 HG1 THR 19 HG1 THR 19 -12.882 8.750 6.256
131 HG21 THR 19 HG21 THR 19 -12.130 5.457 5.757
132 HG22 THR 19 HG22 THR 19 -13.137 6.542 6.718
133 HG23 THR 19 HG23 THR 19 -11.386 6.773 6.668
134 H THR 20 H THR 20 -10.165 9.585 3.265
135 HA THR 20 HA THR 20 -11.938 10.169 1.040
136 HB THR 20 HB THR 20 -10.538 12.332 0.933
137 HG1 THR 20 HG1 THR 20 -8.720 11.283 2.122
138 HG21 THR 20 HG21 THR 20 -11.557 13.313 2.957
139 HG22 THR 20 HG22 THR 20 -11.893 11.698 3.586
140 HG23 THR 20 HG23 THR 20 -12.708 12.264 2.126
141 H THR 21 H THR 21 -11.287 8.348 -0.261
142 HA THR 21 HA THR 21 -9.551 9.220 -2.365
143 HB THR 21 HB THR 21 -7.786 8.121 -1.074
144 HG1 THR 21 HG1 THR 21 -8.002 6.060 -2.844
145 HG21 THR 21 HG21 THR 21 -7.852 5.716 -0.497
146 HG22 THR 21 HG22 THR 21 -9.512 5.618 -1.083
147 HG23 THR 21 HG23 THR 21 -9.134 6.608 0.329
148 H THR 22 H THR 22 -10.266 8.420 -4.301
149 HA THR 22 HA THR 22 -12.695 6.852 -4.387
150 HB THR 22 HB THR 22 -10.987 7.880 -6.703
151 HG1 THR 22 HG1 THR 22 -12.997 9.435 -6.551
152 HG21 THR 22 HG21 THR 22 -13.920 7.047 -6.638
153 HG22 THR 22 HG22 THR 22 -12.617 6.148 -7.418
154 HG23 THR 22 HG23 THR 22 -13.078 7.738 -8.028
155 H LEU 23 H LEU 23 -9.281 6.444 -5.267
156 HA LEU 23 HA LEU 23 -9.696 3.752 -6.327
157 HB2 LEU 23 HB2 LEU 23 -8.202 5.343 -7.497
158 HB3 LEU 23 HB3 LEU 23 -7.162 5.415 -6.085
159 HG LEU 23 HG LEU 23 -6.598 2.996 -6.376
160 HD11 LEU 23 HD11 LEU 23 -8.291 3.142 -8.887
161 HD12 LEU 23 HD12 LEU 23 -8.645 2.204 -7.435
162 HD13 LEU 23 HD13 LEU 23 -7.247 1.793 -8.424
163 HD21 LEU 23 HD21 LEU 23 -6.111 4.655 -8.869
164 HD22 LEU 23 HD22 LEU 23 -5.197 3.226 -8.374
165 HD23 LEU 23 HD23 LEU 23 -5.147 4.685 -7.388
166 H TRP 24 H TRP 24 -9.942 2.240 -4.823
167 HA TRP 24 HA TRP 24 -8.249 2.164 -2.410
168 HB2 TRP 24 HB2 TRP 24 -10.840 0.721 -3.123
169 HB3 TRP 24 HB3 TRP 24 -9.877 0.324 -1.700
170 HD1 TRP 24 HD1 TRP 24 -12.399 2.877 -2.949
171 HE1 TRP 24 HE1 TRP 24 -12.930 4.528 -1.045
172 HE3 TRP 24 HE3 TRP 24 -8.730 1.517 0.352
173 HZ2 TRP 24 HZ2 TRP 24 -11.917 5.176 1.524
174 HZ3 TRP 24 HZ3 TRP 24 -8.571 2.710 2.494
175 HH2 TRP 24 HH2 TRP 24 -10.125 4.505 3.066
176 H ARG 25 H ARG 25 -6.341 1.449 -3.277
177 HA ARG 25 HA ARG 25 -6.107 -0.992 -4.816
178 HB2 ARG 25 HB2 ARG 25 -4.004 0.672 -3.357
179 HB3 ARG 25 HB3 ARG 25 -3.639 -0.701 -4.405
180 HG2 ARG 25 HG2 ARG 25 -4.757 0.571 -6.294
181 HG3 ARG 25 HG3 ARG 25 -4.849 1.970 -5.215
182 HD2 ARG 25 HD2 ARG 25 -2.397 1.994 -5.026
183 HD3 ARG 25 HD3 ARG 25 -2.285 0.541 -6.028
184 HE ARG 25 HE ARG 25 -2.985 3.246 -6.918
185 HH11 ARG 25 HH11 ARG 25 -2.415 -0.110 -7.817
186 HH12 ARG 25 HH12 ARG 25 -2.261 0.251 -9.507
187 HH21 ARG 25 HH21 ARG 25 -2.771 3.698 -9.141
188 HH22 ARG 25 HH22 ARG 25 -2.462 2.403 -10.257
189 H ARG 26 H ARG 26 -4.906 -2.883 -4.006
190 HA ARG 26 HA ARG 26 -5.117 -3.329 -1.084
191 HB2 ARG 26 HB2 ARG 26 -5.129 -5.307 -3.401
192 HB3 ARG 26 HB3 ARG 26 -4.784 -5.815 -1.753
193 HG2 ARG 26 HG2 ARG 26 -7.088 -6.289 -2.185
194 HG3 ARG 26 HG3 ARG 26 -7.029 -4.934 -1.058
195 HD2 ARG 26 HD2 ARG 26 -7.435 -3.379 -2.975
196 HD3 ARG 26 HD3 ARG 26 -7.562 -4.778 -4.045
197 HE ARG 26 HE ARG 26 -9.383 -5.030 -1.885
198 HH11 ARG 26 HH11 ARG 26 -8.918 -3.190 -4.851
199 HH12 ARG 26 HH12 ARG 26 -10.613 -2.929 -5.097
200 HH21 ARG 26 HH21 ARG 26 -11.610 -4.689 -2.233
201 HH22 ARG 26 HH22 ARG 26 -12.139 -3.783 -3.608
202 H ASN 27 H ASN 27 -3.273 -3.553 0.032
203 HA ASN 27 HA ASN 27 -0.727 -3.148 -1.279
204 HB2 ASN 27 HB2 ASN 27 0.177 -2.904 0.929
205 HB3 ASN 27 HB3 ASN 27 -1.366 -2.087 0.929
206 HD21 ASN 27 HD21 ASN 27 -3.016 -2.895 2.207
207 HD22 ASN 27 HD22 ASN 27 -2.719 -4.066 3.442
208 H ALA 28 H ALA 28 1.094 -4.708 0.098
209 HA ALA 28 HA ALA 28 1.031 -7.071 -1.474
210 HB1 ALA 28 HB1 ALA 28 3.176 -7.625 -0.448
211 HB2 ALA 28 HB2 ALA 28 2.907 -6.426 0.818
212 HB3 ALA 28 HB3 ALA 28 3.124 -5.904 -0.855
213 H GLU 29 H GLU 29 -0.300 -6.484 1.618
214 HA GLU 29 HA GLU 29 -0.538 -9.354 2.304
215 HB2 GLU 29 HB2 GLU 29 -0.914 -6.864 4.027
216 HB3 GLU 29 HB3 GLU 29 -1.122 -8.522 4.593
217 HG2 GLU 29 HG2 GLU 29 1.261 -8.976 4.088
218 HG3 GLU 29 HG3 GLU 29 1.462 -7.306 3.554
219 H GLY 30 H GLY 30 -2.272 -6.943 0.766
220 HA2 GLY 30 HA2 GLY 30 -4.259 -7.442 -0.360
221 HA3 GLY 30 HA3 GLY 30 -4.646 -8.662 0.835
222 H GLU 31 H GLU 31 -3.824 -5.820 2.469
223 HA GLU 31 HA GLU 31 -6.612 -5.325 3.132
224 HB2 GLU 31 HB2 GLU 31 -4.100 -3.923 4.139
225 HB3 GLU 31 HB3 GLU 31 -5.725 -3.699 4.789
226 HG2 GLU 31 HG2 GLU 31 -4.023 -6.203 4.891
227 HG3 GLU 31 HG3 GLU 31 -4.508 -5.185 6.246
228 HA PRO 32 HA PRO 32 -7.319 -1.970 0.280
229 HB2 PRO 32 HB2 PRO 32 -9.377 -0.631 1.522
230 HB3 PRO 32 HB3 PRO 32 -9.591 -2.217 0.748
231 HG2 PRO 32 HG2 PRO 32 -9.204 -1.584 3.661
232 HG3 PRO 32 HG3 PRO 32 -10.337 -2.723 2.900
233 HD2 PRO 32 HD2 PRO 32 -7.991 -3.544 4.027
234 HD3 PRO 32 HD3 PRO 32 -8.715 -4.378 2.635
235 H VAL 33 H VAL 33 -5.656 -0.612 0.157
236 HA VAL 33 HA VAL 33 -5.364 1.630 2.070
237 HB VAL 33 HB VAL 33 -2.966 1.792 1.309
238 HG11 VAL 33 HG11 VAL 33 -3.496 0.609 3.403
239 HG12 VAL 33 HG12 VAL 33 -2.113 -0.141 2.603
240 HG13 VAL 33 HG13 VAL 33 -3.705 -0.904 2.516
241 HG21 VAL 33 HG21 VAL 33 -1.927 -0.097 0.066
242 HG22 VAL 33 HG22 VAL 33 -3.168 0.708 -0.895
243 HG23 VAL 33 HG23 VAL 33 -3.521 -0.840 -0.127
244 H CYS 34 H CYS 34 -4.782 3.665 1.099
245 HA CYS 34 HA CYS 34 -6.042 4.312 -1.370
246 HB2 CYS 34 HB2 CYS 34 -5.060 6.584 -0.975
247 HB3 CYS 34 HB3 CYS 34 -5.938 5.965 0.418
248 H ASN 35 H ASN 35 -4.802 5.582 -3.082
249 HA ASN 35 HA ASN 35 -3.320 3.840 -4.614
250 HB2 ASN 35 HB2 ASN 35 -4.504 5.738 -5.600
251 HB3 ASN 35 HB3 ASN 35 -3.451 6.880 -4.782
252 HD21 ASN 35 HD21 ASN 35 -1.395 7.283 -5.619
253 HD22 ASN 35 HD22 ASN 35 -0.910 6.759 -7.195
254 H ALA 36 H ALA 36 -2.005 6.592 -2.751
255 HA ALA 36 HA ALA 36 0.683 6.376 -3.605
256 HB1 ALA 36 HB1 ALA 36 -0.317 8.444 -2.694
257 HB2 ALA 36 HB2 ALA 36 1.151 8.005 -1.817
258 HB3 ALA 36 HB3 ALA 36 -0.433 7.692 -1.102
259 H CYS 37 H CYS 37 -1.017 5.011 -0.782
260 HA CYS 37 HA CYS 37 1.257 4.114 0.652
261 HB2 CYS 37 HB2 CYS 37 -1.592 3.042 0.770
262 HB3 CYS 37 HB3 CYS 37 -0.308 2.693 1.941
263 H GLY 38 H GLY 38 -0.704 2.649 -1.868
264 HA2 GLY 38 HA2 GLY 38 0.398 0.014 -1.815
265 HA3 GLY 38 HA3 GLY 38 -0.535 0.745 -3.109
266 H LEU 39 H LEU 39 1.116 2.967 -3.655
267 HA LEU 39 HA LEU 39 3.052 1.925 -5.452
268 HB2 LEU 39 HB2 LEU 39 2.789 4.753 -4.360
269 HB3 LEU 39 HB3 LEU 39 3.765 4.291 -5.750
270 HG LEU 39 HG LEU 39 0.727 4.199 -5.575
271 HD11 LEU 39 HD11 LEU 39 2.552 5.997 -7.188
272 HD12 LEU 39 HD12 LEU 39 1.613 6.464 -5.767
273 HD13 LEU 39 HD13 LEU 39 0.785 5.982 -7.244
274 HD21 LEU 39 HD21 LEU 39 2.531 3.442 -7.901
275 HD22 LEU 39 HD22 LEU 39 0.771 3.576 -7.967
276 HD23 LEU 39 HD23 LEU 39 1.522 2.344 -6.957
277 H TYR 40 H TYR 40 3.236 3.074 -2.138
278 HA TYR 40 HA TYR 40 6.049 3.484 -2.006
279 HB2 TYR 40 HB2 TYR 40 4.228 4.482 -0.478
280 HB3 TYR 40 HB3 TYR 40 4.196 2.934 0.351
281 HD1 TYR 40 HD1 TYR 40 6.164 2.220 1.725
282 HD2 TYR 40 HD2 TYR 40 6.079 6.055 -0.150
283 HE1 TYR 40 HE1 TYR 40 7.971 2.969 3.193
284 HE2 TYR 40 HE2 TYR 40 7.894 6.812 1.324
285 HH TYR 40 HH TYR 40 8.832 6.220 3.559
286 H MET 41 H MET 41 3.956 0.662 -1.519
287 HA MET 41 HA MET 41 6.022 -1.036 -0.412
288 HB2 MET 41 HB2 MET 41 3.444 -1.931 -1.759
289 HB3 MET 41 HB3 MET 41 4.472 -2.889 -0.699
290 HG2 MET 41 HG2 MET 41 3.934 -1.111 1.088
291 HG3 MET 41 HG3 MET 41 2.627 -0.623 0.008
292 HE1 MET 41 HE1 MET 41 2.881 -4.618 2.301
293 HE2 MET 41 HE2 MET 41 3.917 -3.218 2.586
294 HE3 MET 41 HE3 MET 41 4.138 -4.202 1.139
295 H LYS 42 H LYS 42 4.767 -0.332 -3.615
296 HA LYS 42 HA LYS 42 6.021 -2.344 -5.134
297 HB2 LYS 42 HB2 LYS 42 4.167 -0.802 -5.881
298 HB3 LYS 42 HB3 LYS 42 5.320 0.518 -5.959
299 HG2 LYS 42 HG2 LYS 42 5.740 -1.966 -7.628
300 HG3 LYS 42 HG3 LYS 42 4.586 -0.738 -8.145
301 HD2 LYS 42 HD2 LYS 42 6.419 0.964 -8.132
302 HD3 LYS 42 HD3 LYS 42 7.569 -0.287 -7.656
303 HE2 LYS 42 HE2 LYS 42 7.115 -1.491 -9.768
304 HE3 LYS 42 HE3 LYS 42 5.970 -0.236 -10.237
305 HZ1 LYS 42 HZ1 LYS 42 8.038 0.152 -11.313
306 HZ2 LYS 42 HZ2 LYS 42 8.891 0.075 -9.854
307 HZ3 LYS 42 HZ3 LYS 42 7.831 1.359 -10.143
308 H LEU 43 H LEU 43 7.152 0.755 -3.911
309 HA LEU 43 HA LEU 43 9.739 0.666 -5.223
310 HB2 LEU 43 HB2 LEU 43 8.533 2.539 -3.165
311 HB3 LEU 43 HB3 LEU 43 10.123 2.763 -3.869
312 HG LEU 43 HG LEU 43 7.516 2.803 -5.440
313 HD11 LEU 43 HD11 LEU 43 7.631 4.715 -3.938
314 HD12 LEU 43 HD12 LEU 43 7.855 5.234 -5.607
315 HD13 LEU 43 HD13 LEU 43 9.248 5.117 -4.525
316 HD21 LEU 43 HD21 LEU 43 9.408 2.077 -6.816
317 HD22 LEU 43 HD22 LEU 43 10.346 3.487 -6.313
318 HD23 LEU 43 HD23 LEU 43 8.887 3.693 -7.286
319 H HIS 44 H HIS 44 8.561 0.415 -1.817
320 HA HIS 44 HA HIS 44 11.364 0.003 -0.922
321 HB2 HIS 44 HB2 HIS 44 9.077 1.322 0.608
322 HB3 HIS 44 HB3 HIS 44 10.739 1.158 1.180
323 HD1 HIS 44 HD1 HIS 44 12.568 2.392 -0.504
324 HD2 HIS 44 HD2 HIS 44 8.624 3.700 -0.655
325 HE1 HIS 44 HE1 HIS 44 12.626 4.594 -1.708
326 HE2 HIS 44 HE2 HIS 44 10.242 5.378 -1.757
327 H GLY 45 H GLY 45 8.573 -1.725 -1.283
328 HA2 GLY 45 HA2 GLY 45 8.181 -3.909 -0.616
329 HA3 GLY 45 HA3 GLY 45 9.419 -3.771 0.622
330 H VAL 46 H VAL 46 8.675 -1.801 2.220
331 HA VAL 46 HA VAL 46 6.211 -2.653 3.513
332 HB VAL 46 HB VAL 46 6.881 -1.132 5.343
333 HG11 VAL 46 HG11 VAL 46 9.029 -2.179 5.988
334 HG12 VAL 46 HG12 VAL 46 9.233 -2.775 4.338
335 HG13 VAL 46 HG13 VAL 46 7.894 -3.361 5.330
336 HG21 VAL 46 HG21 VAL 46 9.173 -0.251 3.536
337 HG22 VAL 46 HG22 VAL 46 8.964 0.217 5.227
338 HG23 VAL 46 HG23 VAL 46 7.790 0.739 4.018
339 HA PRO 47 HA PRO 47 3.934 1.005 2.033
340 HB2 PRO 47 HB2 PRO 47 1.888 1.069 3.933
341 HB3 PRO 47 HB3 PRO 47 1.929 -0.018 2.539
342 HG2 PRO 47 HG2 PRO 47 2.175 -0.717 5.335
343 HG3 PRO 47 HG3 PRO 47 2.128 -1.791 3.925
344 HD2 PRO 47 HD2 PRO 47 4.476 -0.867 5.473
345 HD3 PRO 47 HD3 PRO 47 4.327 -2.254 4.371
346 H ARG 48 H ARG 48 2.850 3.098 3.028
347 HA ARG 48 HA ARG 48 4.980 4.703 3.870
348 HB2 ARG 48 HB2 ARG 48 2.018 5.180 3.578
349 HB3 ARG 48 HB3 ARG 48 3.021 6.426 4.302
350 HG2 ARG 48 HG2 ARG 48 4.407 6.485 2.259
351 HG3 ARG 48 HG3 ARG 48 3.354 5.275 1.531
352 HD2 ARG 48 HD2 ARG 48 2.818 7.624 0.815
353 HD3 ARG 48 HD3 ARG 48 1.455 6.829 1.621
354 HE ARG 48 HE ARG 48 3.074 8.267 3.490
355 HH11 ARG 48 HH11 ARG 48 0.576 8.863 1.063
356 HH12 ARG 48 HH12 ARG 48 0.032 10.313 1.830
357 HH21 ARG 48 HH21 ARG 48 2.331 10.131 4.470
358 HH22 ARG 48 HH22 ARG 48 1.032 11.032 3.766
359 HA PRO 49 HA PRO 49 4.595 3.566 8.253
360 HB2 PRO 49 HB2 PRO 49 6.970 4.590 9.147
361 HB3 PRO 49 HB3 PRO 49 6.894 3.129 8.140
362 HG2 PRO 49 HG2 PRO 49 7.592 5.932 7.332
363 HG3 PRO 49 HG3 PRO 49 8.315 4.394 6.809
364 HD2 PRO 49 HD2 PRO 49 6.421 5.808 5.337
365 HD3 PRO 49 HD3 PRO 49 6.714 4.070 5.144
366 H LEU 50 H LEU 50 4.118 4.625 10.238
367 HA LEU 50 HA LEU 50 3.644 7.555 10.099
368 HB2 LEU 50 HB2 LEU 50 2.056 5.440 11.622
369 HB3 LEU 50 HB3 LEU 50 1.752 7.171 11.690
370 HG LEU 50 HG LEU 50 1.392 5.380 9.245
371 HD11 LEU 50 HD11 LEU 50 -0.684 6.793 10.944
372 HD12 LEU 50 HD12 LEU 50 -0.351 5.059 10.929
373 HD13 LEU 50 HD13 LEU 50 -0.992 5.840 9.486
374 HD21 LEU 50 HD21 LEU 50 2.140 7.598 8.523
375 HD22 LEU 50 HD22 LEU 50 0.884 8.371 9.496
376 HD23 LEU 50 HD23 LEU 50 0.443 7.359 8.117
377 H ALA 51 H ALA 51 3.312 8.395 12.507
378 HA ALA 51 HA ALA 51 5.839 8.260 13.802
379 HB1 ALA 51 HB1 ALA 51 4.445 10.282 13.856
380 HB2 ALA 51 HB2 ALA 51 4.816 9.741 15.493
381 HB3 ALA 51 HB3 ALA 51 3.220 9.436 14.805
382 H MET 52 H MET 52 2.603 7.037 14.754
383 HA MET 52 HA MET 52 3.691 5.263 16.776
384 HB2 MET 52 HB2 MET 52 1.372 6.136 17.005
385 HB3 MET 52 HB3 MET 52 0.910 5.325 15.514
386 HG2 MET 52 HG2 MET 52 1.412 3.130 16.581
387 HG3 MET 52 HG3 MET 52 1.790 3.976 18.085
388 HE1 MET 52 HE1 MET 52 0.017 2.393 19.360
389 HE2 MET 52 HE2 MET 52 -0.377 1.581 17.844
390 HE3 MET 52 HE3 MET 52 -1.664 2.231 18.858
391 H ARG 53 H ARG 53 5.146 3.935 15.836
392 HA ARG 53 HA ARG 53 4.563 2.507 13.354
393 HB2 ARG 53 HB2 ARG 53 6.935 1.741 13.496
394 HB3 ARG 53 HB3 ARG 53 6.750 3.482 13.488
395 HG2 ARG 53 HG2 ARG 53 8.438 3.181 15.055
396 HG3 ARG 53 HG3 ARG 53 7.013 3.325 16.080
397 HD2 ARG 53 HD2 ARG 53 6.964 0.898 16.411
398 HD3 ARG 53 HD3 ARG 53 8.288 0.685 15.259
399 HE ARG 53 HE ARG 53 9.051 2.436 17.361
400 HH11 ARG 53 HH11 ARG 53 8.549 -0.997 16.735
401 HH12 ARG 53 HH12 ARG 53 9.665 -1.499 17.962
402 HH21 ARG 53 HH21 ARG 53 10.507 1.753 18.946
403 HH22 ARG 53 HH22 ARG 53 10.778 0.061 19.216
404 H LYS 54 H LYS 54 3.612 1.958 16.421
405 HA LYS 54 HA LYS 54 4.002 -0.862 16.674
406 HB2 LYS 54 HB2 LYS 54 1.878 0.969 17.869
407 HB3 LYS 54 HB3 LYS 54 1.992 -0.754 18.234
408 HG2 LYS 54 HG2 LYS 54 4.354 -0.333 19.040
409 HG3 LYS 54 HG3 LYS 54 4.039 1.394 18.855
410 HD2 LYS 54 HD2 LYS 54 2.241 1.277 20.537
411 HD3 LYS 54 HD3 LYS 54 2.446 -0.474 20.664
412 HE2 LYS 54 HE2 LYS 54 4.809 -0.066 21.450
413 HE3 LYS 54 HE3 LYS 54 4.452 1.661 21.477
414 HZ1 LYS 54 HZ1 LYS 54 2.746 1.243 23.123
415 HZ2 LYS 54 HZ2 LYS 54 4.235 0.650 23.659
416 HZ3 LYS 54 HZ3 LYS 54 3.060 -0.416 23.079
417 H GLU 55 H GLU 55 3.693 -1.580 14.611
418 HA GLU 55 HA GLU 55 1.072 -1.498 13.307
419 HB2 GLU 55 HB2 GLU 55 2.325 -2.604 11.412
420 HB3 GLU 55 HB3 GLU 55 2.973 -1.032 11.876
421 HG2 GLU 55 HG2 GLU 55 4.778 -2.116 13.137
422 HG3 GLU 55 HG3 GLU 55 4.123 -3.707 12.746
423 H GLY 56 H GLY 56 2.141 -3.239 15.763
424 HA2 GLY 56 HA2 GLY 56 1.555 -5.965 14.989
425 HA3 GLY 56 HA3 GLY 56 1.811 -5.350 16.619
426 H ILE 57 H ILE 57 -0.541 -5.102 13.972
427 HA ILE 57 HA ILE 57 -2.739 -4.578 15.829
428 HB ILE 57 HB ILE 57 -4.075 -4.149 13.701
429 HG12 ILE 57 HG12 ILE 57 -1.342 -4.351 12.327
430 HG13 ILE 57 HG13 ILE 57 -2.655 -5.503 12.129
431 HG21 ILE 57 HG21 ILE 57 -1.583 -2.453 14.122
432 HG22 ILE 57 HG22 ILE 57 -3.106 -2.307 15.003
433 HG23 ILE 57 HG23 ILE 57 -3.048 -1.933 13.281
434 HD11 ILE 57 HD11 ILE 57 -4.026 -3.781 11.082
435 HD12 ILE 57 HD12 ILE 57 -2.494 -3.991 10.238
436 HD13 ILE 57 HD13 ILE 57 -2.729 -2.604 11.299
437 H GLN 58 H GLN 58 -2.273 -6.832 16.609
438 HA GLN 58 HA GLN 58 -3.523 -9.003 15.147
439 HB2 GLN 58 HB2 GLN 58 -1.589 -9.280 16.799
440 HB3 GLN 58 HB3 GLN 58 -2.744 -8.966 18.092
441 HG2 GLN 58 HG2 GLN 58 -4.041 -10.956 17.423
442 HG3 GLN 58 HG3 GLN 58 -2.914 -11.259 16.101
443 HE21 GLN 58 HE21 GLN 58 -3.621 -13.013 18.302
444 HE22 GLN 58 HE22 GLN 58 -2.150 -13.368 19.135
445 H THR 59 H THR 59 -4.547 -6.419 17.115
446 HA THR 59 HA THR 59 -6.931 -7.385 18.261
447 HB THR 59 HB THR 59 -6.348 -4.539 17.296
448 HG1 THR 59 HG1 THR 59 -5.056 -4.355 18.953
449 HG21 THR 59 HG21 THR 59 -7.912 -3.838 19.076
450 HG22 THR 59 HG22 THR 59 -8.220 -5.524 19.492
451 HG23 THR 59 HG23 THR 59 -8.729 -4.897 17.922
452 H ARG 60 H ARG 60 -8.064 -8.666 16.769
453 HA ARG 60 HA ARG 60 -9.022 -7.618 14.249
454 HB2 ARG 60 HB2 ARG 60 -8.641 -10.008 14.429
455 HB3 ARG 60 HB3 ARG 60 -9.755 -10.143 15.784
456 HG2 ARG 60 HG2 ARG 60 -11.656 -9.684 14.362
457 HG3 ARG 60 HG3 ARG 60 -10.615 -9.263 13.006
458 HD2 ARG 60 HD2 ARG 60 -11.618 -11.503 12.752
459 HD3 ARG 60 HD3 ARG 60 -9.856 -11.558 12.819
460 HE ARG 60 HE ARG 60 -10.239 -12.152 15.284
461 HH11 ARG 60 HH11 ARG 60 -12.464 -13.170 12.745
462 HH12 ARG 60 HH12 ARG 60 -12.963 -14.589 13.603
463 HH21 ARG 60 HH21 ARG 60 -10.851 -14.063 16.345
464 HH22 ARG 60 HH22 ARG 60 -12.052 -15.097 15.639
465 H LYS 61 H LYS 61 -9.798 -5.643 15.229
466 HA LYS 61 HA LYS 61 -12.453 -5.731 16.462
467 HB2 LYS 61 HB2 LYS 61 -10.778 -4.064 17.254
468 HB3 LYS 61 HB3 LYS 61 -10.678 -3.389 15.630
469 HG2 LYS 61 HG2 LYS 61 -13.108 -2.763 15.801
470 HG3 LYS 61 HG3 LYS 61 -13.097 -3.332 17.475
471 HD2 LYS 61 HD2 LYS 61 -11.480 -1.629 18.108
472 HD3 LYS 61 HD3 LYS 61 -11.269 -1.126 16.425
473 HE2 LYS 61 HE2 LYS 61 -12.707 0.455 17.639
474 HE3 LYS 61 HE3 LYS 61 -13.615 -0.358 16.366
475 HZ1 LYS 61 HZ1 LYS 61 -14.570 -1.830 18.029
476 HZ2 LYS 61 HZ2 LYS 61 -14.875 -0.215 18.423
477 HZ3 LYS 61 HZ3 LYS 61 -13.678 -1.071 19.252
478 H ARG 62 H ARG 62 -13.301 -6.919 14.670
479 HA ARG 62 HA ARG 62 -14.317 -7.344 12.722
480 HB2 ARG 62 HB2 ARG 62 -15.612 -5.261 13.234
481 HB3 ARG 62 HB3 ARG 62 -14.431 -4.333 12.315
482 HG2 ARG 62 HG2 ARG 62 -15.027 -5.700 10.286
483 HG3 ARG 62 HG3 ARG 62 -16.304 -6.464 11.239
484 HD2 ARG 62 HD2 ARG 62 -17.303 -4.184 11.602
485 HD3 ARG 62 HD3 ARG 62 -16.080 -3.523 10.505
486 HE ARG 62 HE ARG 62 -18.308 -5.320 9.801
487 HH11 ARG 62 HH11 ARG 62 -15.676 -3.256 8.682
488 HH12 ARG 62 HH12 ARG 62 -16.228 -3.263 7.038
489 HH21 ARG 62 HH21 ARG 62 -18.987 -5.314 7.647
490 HH22 ARG 62 HH22 ARG 62 -18.097 -4.425 6.454
491 H LYS 63 H LYS 63 -12.837 -8.408 11.474
492 HA LYS 63 HA LYS 63 -11.210 -6.796 9.603
493 HB2 LYS 63 HB2 LYS 63 -9.765 -7.760 11.433
494 HB3 LYS 63 HB3 LYS 63 -10.256 -9.369 10.941
495 HG2 LYS 63 HG2 LYS 63 -8.160 -9.149 9.941
496 HG3 LYS 63 HG3 LYS 63 -9.248 -8.752 8.614
497 HD2 LYS 63 HD2 LYS 63 -7.767 -6.726 10.346
498 HD3 LYS 63 HD3 LYS 63 -7.247 -7.265 8.751
499 HE2 LYS 63 HE2 LYS 63 -9.748 -5.658 9.400
500 HE3 LYS 63 HE3 LYS 63 -8.305 -5.088 8.559
501 HZ1 LYS 63 HZ1 LYS 63 -10.228 -7.135 7.563
502 HZ2 LYS 63 HZ2 LYS 63 -8.798 -6.687 6.779
503 HZ3 LYS 63 HZ3 LYS 63 -10.036 -5.556 6.983
Start of MODEL 7
1 H1 SER 1 H1 SER 1 -22.366 3.147 19.633
2 H2 SER 1 H2 SER 1 -22.884 3.473 18.059
3 H3 SER 1 H3 SER 1 -21.263 3.097 18.352
4 HA SER 1 HA SER 1 -21.829 0.891 19.022
5 HB2 SER 1 HB2 SER 1 -24.691 1.735 18.373
6 HB3 SER 1 HB3 SER 1 -24.187 0.109 18.847
7 HG SER 1 HG SER 1 -24.955 1.940 20.464
8 H HIS 2 H HIS 2 -21.209 -0.472 17.420
9 HA HIS 2 HA HIS 2 -21.019 0.432 14.704
10 HB2 HIS 2 HB2 HIS 2 -20.444 -2.351 15.812
11 HB3 HIS 2 HB3 HIS 2 -19.886 -1.714 14.268
12 HD2 HIS 2 HD2 HIS 2 -18.346 0.941 14.967
13 HE1 HIS 2 HE1 HIS 2 -16.547 -1.239 18.120
14 HE2 HIS 2 HE2 HIS 2 -16.520 0.929 16.813
15 H MET 3 H MET 3 -23.273 -1.541 16.425
16 HA MET 3 HA MET 3 -24.439 -3.006 14.305
17 HB2 MET 3 HB2 MET 3 -26.296 -3.459 15.853
18 HB3 MET 3 HB3 MET 3 -24.753 -3.634 16.674
19 HG2 MET 3 HG2 MET 3 -25.069 -1.385 17.688
20 HG3 MET 3 HG3 MET 3 -26.647 -1.287 16.902
21 HE1 MET 3 HE1 MET 3 -27.542 -1.878 20.720
22 HE2 MET 3 HE2 MET 3 -27.816 -0.828 19.329
23 HE3 MET 3 HE3 MET 3 -26.216 -0.916 20.070
24 H SER 4 H SER 4 -24.853 0.317 15.302
25 HA SER 4 HA SER 4 -27.207 0.716 13.575
26 HB2 SER 4 HB2 SER 4 -27.118 3.078 14.584
27 HB3 SER 4 HB3 SER 4 -27.445 1.775 15.723
28 HG SER 4 HG SER 4 -24.877 2.916 15.279
29 H ALA 5 H ALA 5 -26.042 0.263 11.633
30 HA ALA 5 HA ALA 5 -25.031 2.690 10.387
31 HB1 ALA 5 HB1 ALA 5 -22.931 1.639 11.169
32 HB2 ALA 5 HB2 ALA 5 -23.035 1.614 9.409
33 HB3 ALA 5 HB3 ALA 5 -23.352 0.143 10.333
34 H SER 6 H SER 6 -26.722 2.751 8.998
35 HA SER 6 HA SER 6 -27.962 0.429 7.840
36 HB2 SER 6 HB2 SER 6 -29.398 2.200 6.688
37 HB3 SER 6 HB3 SER 6 -29.376 2.297 8.447
38 HG SER 6 HG SER 6 -28.995 4.345 7.859
39 H ARG 7 H ARG 7 -26.073 -0.455 6.772
40 HA ARG 7 HA ARG 7 -24.600 -0.904 5.114
41 HB2 ARG 7 HB2 ARG 7 -26.675 0.568 3.448
42 HB3 ARG 7 HB3 ARG 7 -25.326 -0.323 2.754
43 HG2 ARG 7 HG2 ARG 7 -26.196 -2.422 3.715
44 HG3 ARG 7 HG3 ARG 7 -27.535 -1.536 4.452
45 HD2 ARG 7 HD2 ARG 7 -28.390 -0.916 2.243
46 HD3 ARG 7 HD3 ARG 7 -27.014 -1.699 1.457
47 HE ARG 7 HE ARG 7 -28.185 -3.678 2.952
48 HH11 ARG 7 HH11 ARG 7 -29.321 -1.544 0.382
49 HH12 ARG 7 HH12 ARG 7 -30.496 -2.681 -0.205
50 HH21 ARG 7 HH21 ARG 7 -29.718 -5.146 2.190
51 HH22 ARG 7 HH22 ARG 7 -30.722 -4.735 0.830
52 H ARG 8 H ARG 8 -23.142 0.549 6.302
53 HA ARG 8 HA ARG 8 -22.752 3.257 5.396
54 HB2 ARG 8 HB2 ARG 8 -22.315 2.503 7.745
55 HB3 ARG 8 HB3 ARG 8 -20.960 1.546 7.163
56 HG2 ARG 8 HG2 ARG 8 -19.814 3.608 6.419
57 HG3 ARG 8 HG3 ARG 8 -21.175 4.578 6.987
58 HD2 ARG 8 HD2 ARG 8 -20.734 3.709 9.313
59 HD3 ARG 8 HD3 ARG 8 -19.299 2.890 8.687
60 HE ARG 8 HE ARG 8 -18.831 5.413 7.929
61 HH11 ARG 8 HH11 ARG 8 -19.803 4.093 11.036
62 HH12 ARG 8 HH12 ARG 8 -19.029 5.342 11.955
63 HH21 ARG 8 HH21 ARG 8 -17.845 7.062 9.103
64 HH22 ARG 8 HH22 ARG 8 -17.894 7.057 10.837
65 H VAL 9 H VAL 9 -21.858 3.690 3.515
66 HA VAL 9 HA VAL 9 -20.207 1.790 2.048
67 HB VAL 9 HB VAL 9 -21.153 4.577 1.186
68 HG11 VAL 9 HG11 VAL 9 -20.234 2.222 -0.503
69 HG12 VAL 9 HG12 VAL 9 -19.332 3.709 -0.210
70 HG13 VAL 9 HG13 VAL 9 -20.839 3.761 -1.123
71 HG21 VAL 9 HG21 VAL 9 -22.551 1.918 0.709
72 HG22 VAL 9 HG22 VAL 9 -23.041 3.477 0.036
73 HG23 VAL 9 HG23 VAL 9 -23.105 3.210 1.778
74 H GLY 10 H GLY 10 -18.122 2.269 1.258
75 HA2 GLY 10 HA2 GLY 10 -16.328 3.795 0.824
76 HA3 GLY 10 HA3 GLY 10 -16.727 4.661 2.296
77 H LEU 11 H LEU 11 -14.401 2.893 1.058
78 HA LEU 11 HA LEU 11 -13.690 1.206 3.330
79 HB2 LEU 11 HB2 LEU 11 -12.143 2.071 0.846
80 HB3 LEU 11 HB3 LEU 11 -11.494 0.982 2.064
81 HG LEU 11 HG LEU 11 -13.938 0.389 0.346
82 HD11 LEU 11 HD11 LEU 11 -11.107 -0.676 0.073
83 HD12 LEU 11 HD12 LEU 11 -11.905 0.454 -1.025
84 HD13 LEU 11 HD13 LEU 11 -12.510 -1.193 -0.869
85 HD21 LEU 11 HD21 LEU 11 -12.403 -1.396 2.271
86 HD22 LEU 11 HD22 LEU 11 -13.724 -1.911 1.216
87 HD23 LEU 11 HD23 LEU 11 -14.032 -0.756 2.508
88 H SER 12 H SER 12 -11.469 1.602 4.327
89 HA SER 12 HA SER 12 -10.551 4.409 4.362
90 HB2 SER 12 HB2 SER 12 -10.747 2.586 6.811
91 HB3 SER 12 HB3 SER 12 -10.075 4.210 6.790
92 HG SER 12 HG SER 12 -12.529 4.281 5.762
93 H CYS 13 H CYS 13 -8.381 4.518 3.994
94 HA CYS 13 HA CYS 13 -6.775 2.406 3.158
95 HB2 CYS 13 HB2 CYS 13 -6.344 4.802 2.681
96 HB3 CYS 13 HB3 CYS 13 -5.908 5.069 4.363
97 H ALA 14 H ALA 14 -6.018 0.736 4.312
98 HA ALA 14 HA ALA 14 -6.067 0.559 7.139
99 HB1 ALA 14 HB1 ALA 14 -4.475 -1.141 5.191
100 HB2 ALA 14 HB2 ALA 14 -6.161 -1.409 5.645
101 HB3 ALA 14 HB3 ALA 14 -4.884 -1.566 6.855
102 H ASN 15 H ASN 15 -3.792 1.973 5.038
103 HA ASN 15 HA ASN 15 -1.500 1.893 6.812
104 HB2 ASN 15 HB2 ASN 15 -1.395 1.703 4.289
105 HB3 ASN 15 HB3 ASN 15 -1.894 3.379 4.178
106 HD21 ASN 15 HD21 ASN 15 -0.111 4.376 6.367
107 HD22 ASN 15 HD22 ASN 15 1.477 4.245 5.741
108 H CYS 16 H CYS 16 -3.730 4.448 5.495
109 HA CYS 16 HA CYS 16 -2.550 6.391 7.403
110 HB2 CYS 16 HB2 CYS 16 -2.693 8.137 5.603
111 HB3 CYS 16 HB3 CYS 16 -1.565 6.837 5.230
112 H GLN 17 H GLN 17 -5.341 4.910 6.425
113 HA GLN 17 HA GLN 17 -7.499 5.048 7.015
114 HB2 GLN 17 HB2 GLN 17 -6.370 6.930 9.109
115 HB3 GLN 17 HB3 GLN 17 -8.054 6.409 9.103
116 HG2 GLN 17 HG2 GLN 17 -7.371 4.067 9.352
117 HG3 GLN 17 HG3 GLN 17 -5.672 4.537 9.243
118 HE21 GLN 17 HE21 GLN 17 -4.670 5.442 11.036
119 HE22 GLN 17 HE22 GLN 17 -5.400 5.470 12.602
120 H THR 18 H THR 18 -6.374 7.132 5.036
121 HA THR 18 HA THR 18 -8.468 9.137 5.020
122 HB THR 18 HB THR 18 -6.279 9.639 3.927
123 HG1 THR 18 HG1 THR 18 -7.256 10.426 1.908
124 HG21 THR 18 HG21 THR 18 -5.700 8.723 1.728
125 HG22 THR 18 HG22 THR 18 -7.101 7.652 1.770
126 HG23 THR 18 HG23 THR 18 -5.775 7.422 2.917
127 H THR 19 H THR 19 -10.423 8.989 4.003
128 HA THR 19 HA THR 19 -11.245 6.360 2.945
129 HB THR 19 HB THR 19 -13.563 7.206 3.358
130 HG1 THR 19 HG1 THR 19 -13.543 9.369 3.231
131 HG21 THR 19 HG21 THR 19 -11.752 7.563 5.787
132 HG22 THR 19 HG22 THR 19 -12.382 6.016 5.210
133 HG23 THR 19 HG23 THR 19 -13.489 7.248 5.823
134 H THR 20 H THR 20 -10.203 9.336 1.786
135 HA THR 20 HA THR 20 -11.905 9.320 -0.630
136 HB THR 20 HB THR 20 -10.143 11.532 0.520
137 HG1 THR 20 HG1 THR 20 -12.315 10.926 1.486
138 HG21 THR 20 HG21 THR 20 -11.990 11.639 -1.900
139 HG22 THR 20 HG22 THR 20 -10.228 11.729 -1.946
140 HG23 THR 20 HG23 THR 20 -11.156 13.018 -1.181
141 H THR 21 H THR 21 -10.932 7.864 -1.962
142 HA THR 21 HA THR 21 -8.997 9.031 -3.663
143 HB THR 21 HB THR 21 -7.384 7.962 -2.067
144 HG1 THR 21 HG1 THR 21 -6.229 7.840 -3.812
145 HG21 THR 21 HG21 THR 21 -7.134 5.500 -2.035
146 HG22 THR 21 HG22 THR 21 -8.594 5.329 -3.000
147 HG23 THR 21 HG23 THR 21 -8.688 5.994 -1.366
148 H THR 22 H THR 22 -8.742 7.741 -5.665
149 HA THR 22 HA THR 22 -11.163 6.204 -6.302
150 HB THR 22 HB THR 22 -10.345 6.501 -8.695
151 HG1 THR 22 HG1 THR 22 -8.705 8.442 -8.617
152 HG21 THR 22 HG21 THR 22 -12.010 8.072 -7.722
153 HG22 THR 22 HG22 THR 22 -10.943 8.881 -8.868
154 HG23 THR 22 HG23 THR 22 -10.694 9.095 -7.135
155 H LEU 23 H LEU 23 -7.608 6.001 -6.624
156 HA LEU 23 HA LEU 23 -7.722 3.217 -7.446
157 HB2 LEU 23 HB2 LEU 23 -6.078 4.802 -8.465
158 HB3 LEU 23 HB3 LEU 23 -5.302 4.980 -6.903
159 HG LEU 23 HG LEU 23 -4.735 2.524 -6.943
160 HD11 LEU 23 HD11 LEU 23 -6.500 1.719 -8.416
161 HD12 LEU 23 HD12 LEU 23 -4.919 1.268 -9.048
162 HD13 LEU 23 HD13 LEU 23 -5.809 2.608 -9.778
163 HD21 LEU 23 HD21 LEU 23 -3.051 4.181 -7.645
164 HD22 LEU 23 HD22 LEU 23 -3.646 4.106 -9.305
165 HD23 LEU 23 HD23 LEU 23 -2.891 2.688 -8.571
166 H TRP 24 H TRP 24 -8.643 2.267 -5.622
167 HA TRP 24 HA TRP 24 -7.128 2.079 -3.133
168 HB2 TRP 24 HB2 TRP 24 -9.664 0.686 -4.114
169 HB3 TRP 24 HB3 TRP 24 -8.905 0.332 -2.563
170 HD1 TRP 24 HD1 TRP 24 -11.184 2.894 -4.240
171 HE1 TRP 24 HE1 TRP 24 -11.971 4.589 -2.477
172 HE3 TRP 24 HE3 TRP 24 -8.099 1.566 -0.374
173 HZ2 TRP 24 HZ2 TRP 24 -11.388 5.274 0.199
174 HZ3 TRP 24 HZ3 TRP 24 -8.272 2.801 1.739
175 HH2 TRP 24 HH2 TRP 24 -9.880 4.617 2.024
176 H ARG 25 H ARG 25 -5.257 0.951 -3.324
177 HA ARG 25 HA ARG 25 -5.142 -1.576 -4.843
178 HB2 ARG 25 HB2 ARG 25 -2.982 -0.004 -3.365
179 HB3 ARG 25 HB3 ARG 25 -2.704 -1.573 -4.119
180 HG2 ARG 25 HG2 ARG 25 -3.450 -0.499 -6.319
181 HG3 ARG 25 HG3 ARG 25 -3.348 1.054 -5.481
182 HD2 ARG 25 HD2 ARG 25 -1.285 0.560 -6.744
183 HD3 ARG 25 HD3 ARG 25 -0.964 0.664 -5.010
184 HE ARG 25 HE ARG 25 -1.336 -1.960 -5.305
185 HH11 ARG 25 HH11 ARG 25 0.714 0.180 -7.227
186 HH12 ARG 25 HH12 ARG 25 1.819 -1.096 -7.626
187 HH21 ARG 25 HH21 ARG 25 0.093 -3.559 -5.852
188 HH22 ARG 25 HH22 ARG 25 1.466 -3.204 -6.852
189 H ARG 26 H ARG 26 -4.432 -3.529 -3.776
190 HA ARG 26 HA ARG 26 -4.841 -3.625 -0.830
191 HB2 ARG 26 HB2 ARG 26 -5.032 -5.870 -2.913
192 HB3 ARG 26 HB3 ARG 26 -5.023 -6.157 -1.178
193 HG2 ARG 26 HG2 ARG 26 -7.288 -6.286 -1.934
194 HG3 ARG 26 HG3 ARG 26 -7.122 -4.800 -0.994
195 HD2 ARG 26 HD2 ARG 26 -8.476 -4.555 -3.084
196 HD3 ARG 26 HD3 ARG 26 -7.085 -3.462 -2.996
197 HE ARG 26 HE ARG 26 -6.513 -5.931 -4.371
198 HH11 ARG 26 HH11 ARG 26 -7.885 -2.715 -4.872
199 HH12 ARG 26 HH12 ARG 26 -7.548 -2.715 -6.577
200 HH21 ARG 26 HH21 ARG 26 -6.016 -5.888 -6.579
201 HH22 ARG 26 HH22 ARG 26 -6.480 -4.522 -7.554
202 H ASN 27 H ASN 27 -2.999 -3.729 0.285
203 HA ASN 27 HA ASN 27 -0.469 -3.870 -1.053
204 HB2 ASN 27 HB2 ASN 27 0.524 -3.286 1.052
205 HB3 ASN 27 HB3 ASN 27 -0.995 -2.415 0.968
206 HD21 ASN 27 HD21 ASN 27 -2.631 -2.945 2.428
207 HD22 ASN 27 HD22 ASN 27 -2.297 -3.873 3.846
208 H ALA 28 H ALA 28 1.205 -5.306 0.667
209 HA ALA 28 HA ALA 28 1.245 -7.826 -0.496
210 HB1 ALA 28 HB1 ALA 28 3.219 -6.691 0.439
211 HB2 ALA 28 HB2 ALA 28 3.071 -8.330 1.065
212 HB3 ALA 28 HB3 ALA 28 2.612 -6.953 2.074
213 H GLU 29 H GLU 29 -0.065 -6.837 2.623
214 HA GLU 29 HA GLU 29 -0.755 -9.473 3.584
215 HB2 GLU 29 HB2 GLU 29 -1.711 -6.724 4.488
216 HB3 GLU 29 HB3 GLU 29 -1.888 -8.228 5.392
217 HG2 GLU 29 HG2 GLU 29 0.604 -8.392 5.534
218 HG3 GLU 29 HG3 GLU 29 0.718 -6.842 4.705
219 H GLY 30 H GLY 30 -2.275 -7.067 1.573
220 HA2 GLY 30 HA2 GLY 30 -4.074 -7.558 0.086
221 HA3 GLY 30 HA3 GLY 30 -4.675 -8.764 1.219
222 H GLU 31 H GLU 31 -3.701 -5.873 2.717
223 HA GLU 31 HA GLU 31 -6.407 -5.205 3.497
224 HB2 GLU 31 HB2 GLU 31 -3.808 -3.780 4.211
225 HB3 GLU 31 HB3 GLU 31 -5.358 -3.571 5.006
226 HG2 GLU 31 HG2 GLU 31 -3.751 -6.132 4.986
227 HG3 GLU 31 HG3 GLU 31 -3.764 -4.954 6.295
228 HA PRO 32 HA PRO 32 -7.067 -2.182 0.304
229 HB2 PRO 32 HB2 PRO 32 -9.131 -0.809 1.897
230 HB3 PRO 32 HB3 PRO 32 -9.348 -1.923 0.535
231 HG2 PRO 32 HG2 PRO 32 -10.046 -2.552 3.107
232 HG3 PRO 32 HG3 PRO 32 -9.587 -3.765 1.891
233 HD2 PRO 32 HD2 PRO 32 -7.920 -2.590 4.109
234 HD3 PRO 32 HD3 PRO 32 -8.022 -4.273 3.541
235 H VAL 33 H VAL 33 -5.189 -0.956 0.296
236 HA VAL 33 HA VAL 33 -5.036 1.462 1.980
237 HB VAL 33 HB VAL 33 -2.662 1.617 1.300
238 HG11 VAL 33 HG11 VAL 33 -3.376 -1.107 2.452
239 HG12 VAL 33 HG12 VAL 33 -3.213 0.402 3.356
240 HG13 VAL 33 HG13 VAL 33 -1.801 -0.314 2.579
241 HG21 VAL 33 HG21 VAL 33 -1.534 -0.220 0.064
242 HG22 VAL 33 HG22 VAL 33 -2.751 0.576 -0.935
243 HG23 VAL 33 HG23 VAL 33 -3.096 -0.999 -0.214
244 H CYS 34 H CYS 34 -4.568 3.470 1.008
245 HA CYS 34 HA CYS 34 -5.877 4.032 -1.479
246 HB2 CYS 34 HB2 CYS 34 -5.158 6.376 -1.024
247 HB3 CYS 34 HB3 CYS 34 -5.939 5.635 0.375
248 H ASN 35 H ASN 35 -4.735 5.501 -3.127
249 HA ASN 35 HA ASN 35 -2.737 4.119 -4.522
250 HB2 ASN 35 HB2 ASN 35 -2.608 6.106 -6.012
251 HB3 ASN 35 HB3 ASN 35 -4.276 5.678 -5.653
252 HD21 ASN 35 HD21 ASN 35 -2.940 8.243 -6.453
253 HD22 ASN 35 HD22 ASN 35 -3.516 9.401 -5.311
254 H ALA 36 H ALA 36 -2.419 6.994 -2.412
255 HA ALA 36 HA ALA 36 0.313 7.535 -2.852
256 HB1 ALA 36 HB1 ALA 36 -1.259 9.125 -1.866
257 HB2 ALA 36 HB2 ALA 36 0.168 8.923 -0.850
258 HB3 ALA 36 HB3 ALA 36 -1.355 8.144 -0.401
259 H CYS 37 H CYS 37 -1.227 5.259 -0.701
260 HA CYS 37 HA CYS 37 1.163 4.602 0.838
261 HB2 CYS 37 HB2 CYS 37 -1.650 3.404 0.767
262 HB3 CYS 37 HB3 CYS 37 -0.409 2.978 1.948
263 H GLY 38 H GLY 38 -0.729 3.352 -1.877
264 HA2 GLY 38 HA2 GLY 38 0.371 0.693 -1.935
265 HA3 GLY 38 HA3 GLY 38 -0.632 1.440 -3.170
266 H LEU 39 H LEU 39 1.163 3.731 -3.532
267 HA LEU 39 HA LEU 39 2.993 2.687 -5.465
268 HB2 LEU 39 HB2 LEU 39 2.724 5.487 -4.299
269 HB3 LEU 39 HB3 LEU 39 3.764 5.076 -5.651
270 HG LEU 39 HG LEU 39 0.720 4.907 -5.650
271 HD11 LEU 39 HD11 LEU 39 2.555 6.872 -7.078
272 HD12 LEU 39 HD12 LEU 39 1.534 7.235 -5.686
273 HD13 LEU 39 HD13 LEU 39 0.795 6.805 -7.225
274 HD21 LEU 39 HD21 LEU 39 0.924 4.404 -8.063
275 HD22 LEU 39 HD22 LEU 39 1.666 3.154 -7.068
276 HD23 LEU 39 HD23 LEU 39 2.681 4.335 -7.900
277 H TYR 40 H TYR 40 3.253 3.646 -2.123
278 HA TYR 40 HA TYR 40 6.105 3.803 -1.958
279 HB2 TYR 40 HB2 TYR 40 4.443 4.819 -0.305
280 HB3 TYR 40 HB3 TYR 40 4.167 3.205 0.330
281 HD1 TYR 40 HD1 TYR 40 5.956 2.071 1.665
282 HD2 TYR 40 HD2 TYR 40 6.521 6.029 0.163
283 HE1 TYR 40 HE1 TYR 40 7.783 2.414 3.264
284 HE2 TYR 40 HE2 TYR 40 8.358 6.362 1.749
285 HH TYR 40 HH TYR 40 9.086 5.475 3.913
286 H MET 41 H MET 41 3.707 1.226 -1.291
287 HA MET 41 HA MET 41 5.663 -0.755 -0.597
288 HB2 MET 41 HB2 MET 41 3.417 -1.119 0.196
289 HB3 MET 41 HB3 MET 41 2.743 -1.023 -1.428
290 HG2 MET 41 HG2 MET 41 3.618 -3.152 -2.028
291 HG3 MET 41 HG3 MET 41 4.711 -3.189 -0.648
292 HE1 MET 41 HE1 MET 41 3.068 -2.507 1.879
293 HE2 MET 41 HE2 MET 41 4.084 -3.942 1.728
294 HE3 MET 41 HE3 MET 41 2.428 -4.093 2.313
295 H LYS 42 H LYS 42 4.200 0.297 -3.633
296 HA LYS 42 HA LYS 42 5.058 -1.756 -5.363
297 HB2 LYS 42 HB2 LYS 42 3.476 0.196 -5.898
298 HB3 LYS 42 HB3 LYS 42 4.884 1.224 -6.046
299 HG2 LYS 42 HG2 LYS 42 4.428 -1.214 -7.800
300 HG3 LYS 42 HG3 LYS 42 3.835 0.393 -8.211
301 HD2 LYS 42 HD2 LYS 42 6.204 1.219 -8.165
302 HD3 LYS 42 HD3 LYS 42 6.740 -0.442 -7.887
303 HE2 LYS 42 HE2 LYS 42 6.959 0.075 -10.252
304 HE3 LYS 42 HE3 LYS 42 5.652 -1.094 -10.055
305 HZ1 LYS 42 HZ1 LYS 42 5.375 1.829 -10.475
306 HZ2 LYS 42 HZ2 LYS 42 4.083 0.789 -10.149
307 HZ3 LYS 42 HZ3 LYS 42 4.976 0.605 -11.571
308 H LEU 43 H LEU 43 6.678 1.156 -4.161
309 HA LEU 43 HA LEU 43 9.066 0.724 -5.761
310 HB2 LEU 43 HB2 LEU 43 8.109 2.926 -3.908
311 HB3 LEU 43 HB3 LEU 43 9.722 2.944 -4.590
312 HG LEU 43 HG LEU 43 7.192 2.866 -6.285
313 HD11 LEU 43 HD11 LEU 43 8.870 5.293 -5.548
314 HD12 LEU 43 HD12 LEU 43 7.213 4.965 -5.033
315 HD13 LEU 43 HD13 LEU 43 7.559 5.272 -6.734
316 HD21 LEU 43 HD21 LEU 43 9.158 1.971 -7.444
317 HD22 LEU 43 HD22 LEU 43 10.085 3.420 -7.048
318 HD23 LEU 43 HD23 LEU 43 8.700 3.528 -8.141
319 H HIS 44 H HIS 44 8.124 0.207 -2.391
320 HA HIS 44 HA HIS 44 10.973 -0.253 -1.637
321 HB2 HIS 44 HB2 HIS 44 8.842 0.984 0.165
322 HB3 HIS 44 HB3 HIS 44 10.552 0.761 0.543
323 HD1 HIS 44 HD1 HIS 44 12.219 2.138 -1.224
324 HD2 HIS 44 HD2 HIS 44 8.296 3.473 -0.871
325 HE1 HIS 44 HE1 HIS 44 12.178 4.414 -2.288
326 HE2 HIS 44 HE2 HIS 44 9.846 5.260 -1.920
327 H GLY 45 H GLY 45 7.881 -1.669 -1.780
328 HA2 GLY 45 HA2 GLY 45 7.396 -3.928 -1.385
329 HA3 GLY 45 HA3 GLY 45 8.866 -4.075 -0.433
330 H VAL 46 H VAL 46 8.305 -1.844 1.327
331 HA VAL 46 HA VAL 46 6.282 -3.055 3.091
332 HB VAL 46 HB VAL 46 7.319 -1.679 4.888
333 HG11 VAL 46 HG11 VAL 46 8.201 -3.933 4.506
334 HG12 VAL 46 HG12 VAL 46 9.505 -2.860 5.012
335 HG13 VAL 46 HG13 VAL 46 9.345 -3.317 3.312
336 HG21 VAL 46 HG21 VAL 46 9.426 -0.413 4.458
337 HG22 VAL 46 HG22 VAL 46 8.049 0.275 3.597
338 HG23 VAL 46 HG23 VAL 46 9.233 -0.703 2.726
339 HA PRO 47 HA PRO 47 3.538 0.512 2.486
340 HB2 PRO 47 HB2 PRO 47 2.040 0.480 4.748
341 HB3 PRO 47 HB3 PRO 47 1.935 -0.835 3.559
342 HG2 PRO 47 HG2 PRO 47 3.426 -0.766 6.159
343 HG3 PRO 47 HG3 PRO 47 2.427 -2.063 5.464
344 HD2 PRO 47 HD2 PRO 47 5.181 -2.018 5.302
345 HD3 PRO 47 HD3 PRO 47 4.137 -2.852 4.131
346 H ARG 48 H ARG 48 2.880 2.636 3.578
347 HA ARG 48 HA ARG 48 5.191 4.077 4.377
348 HB2 ARG 48 HB2 ARG 48 2.273 4.829 4.128
349 HB3 ARG 48 HB3 ARG 48 3.428 5.975 4.807
350 HG2 ARG 48 HG2 ARG 48 4.785 5.653 2.700
351 HG3 ARG 48 HG3 ARG 48 3.423 4.750 2.064
352 HD2 ARG 48 HD2 ARG 48 3.557 7.676 2.807
353 HD3 ARG 48 HD3 ARG 48 3.256 6.978 1.216
354 HE ARG 48 HE ARG 48 1.150 6.099 2.666
355 HH11 ARG 48 HH11 ARG 48 2.515 9.316 2.176
356 HH12 ARG 48 HH12 ARG 48 0.993 10.127 2.385
357 HH21 ARG 48 HH21 ARG 48 -0.818 7.197 3.027
358 HH22 ARG 48 HH22 ARG 48 -0.899 8.921 2.870
359 HA PRO 49 HA PRO 49 4.674 3.304 8.830
360 HB2 PRO 49 HB2 PRO 49 7.214 3.988 9.550
361 HB3 PRO 49 HB3 PRO 49 6.845 2.455 8.744
362 HG2 PRO 49 HG2 PRO 49 8.119 4.902 7.639
363 HG3 PRO 49 HG3 PRO 49 8.362 3.202 7.192
364 HD2 PRO 49 HD2 PRO 49 6.733 5.087 5.816
365 HD3 PRO 49 HD3 PRO 49 6.784 3.336 5.535
366 H LEU 50 H LEU 50 3.299 4.836 9.578
367 HA LEU 50 HA LEU 50 3.718 7.689 9.299
368 HB2 LEU 50 HB2 LEU 50 1.556 6.151 10.790
369 HB3 LEU 50 HB3 LEU 50 1.543 7.881 10.500
370 HG LEU 50 HG LEU 50 1.178 5.659 8.461
371 HD11 LEU 50 HD11 LEU 50 -0.999 6.767 8.072
372 HD12 LEU 50 HD12 LEU 50 -0.624 7.950 9.326
373 HD13 LEU 50 HD13 LEU 50 -0.819 6.247 9.747
374 HD21 LEU 50 HD21 LEU 50 1.541 8.624 7.874
375 HD22 LEU 50 HD22 LEU 50 1.014 7.409 6.707
376 HD23 LEU 50 HD23 LEU 50 2.631 7.319 7.397
377 H ALA 51 H ALA 51 2.898 8.917 11.470
378 HA ALA 51 HA ALA 51 4.952 8.723 13.453
379 HB1 ALA 51 HB1 ALA 51 3.772 10.619 14.493
380 HB2 ALA 51 HB2 ALA 51 2.388 10.360 13.426
381 HB3 ALA 51 HB3 ALA 51 3.938 10.866 12.754
382 H MET 52 H MET 52 4.154 8.888 15.873
383 HA MET 52 HA MET 52 2.986 6.348 16.559
384 HB2 MET 52 HB2 MET 52 3.959 8.638 18.332
385 HB3 MET 52 HB3 MET 52 3.373 7.098 18.948
386 HG2 MET 52 HG2 MET 52 5.201 5.944 17.734
387 HG3 MET 52 HG3 MET 52 5.812 7.519 17.214
388 HE1 MET 52 HE1 MET 52 8.425 6.438 19.964
389 HE2 MET 52 HE2 MET 52 8.216 6.947 18.289
390 HE3 MET 52 HE3 MET 52 7.615 5.373 18.818
391 H ARG 53 H ARG 53 0.918 6.657 15.567
392 HA ARG 53 HA ARG 53 -1.024 8.086 17.293
393 HB2 ARG 53 HB2 ARG 53 -1.209 8.806 14.967
394 HB3 ARG 53 HB3 ARG 53 -1.263 7.140 14.398
395 HG2 ARG 53 HG2 ARG 53 -3.439 6.804 15.405
396 HG3 ARG 53 HG3 ARG 53 -3.374 8.383 16.185
397 HD2 ARG 53 HD2 ARG 53 -3.456 9.481 13.968
398 HD3 ARG 53 HD3 ARG 53 -3.490 7.898 13.187
399 HE ARG 53 HE ARG 53 -5.725 7.815 13.569
400 HH11 ARG 53 HH11 ARG 53 -4.426 10.105 15.924
401 HH12 ARG 53 HH12 ARG 53 -5.992 10.516 16.551
402 HH21 ARG 53 HH21 ARG 53 -7.736 8.312 14.437
403 HH22 ARG 53 HH22 ARG 53 -7.872 9.492 15.701
404 H LYS 54 H LYS 54 -1.617 6.697 18.850
405 HA LYS 54 HA LYS 54 -2.220 3.872 18.155
406 HB2 LYS 54 HB2 LYS 54 -1.708 3.303 20.467
407 HB3 LYS 54 HB3 LYS 54 -0.348 4.131 19.724
408 HG2 LYS 54 HG2 LYS 54 -0.975 6.221 20.899
409 HG3 LYS 54 HG3 LYS 54 -2.325 5.381 21.668
410 HD2 LYS 54 HD2 LYS 54 0.633 4.757 22.023
411 HD3 LYS 54 HD3 LYS 54 -0.425 5.505 23.218
412 HE2 LYS 54 HE2 LYS 54 -1.733 3.443 23.397
413 HE3 LYS 54 HE3 LYS 54 -0.775 2.693 22.117
414 HZ1 LYS 54 HZ1 LYS 54 0.148 3.481 24.821
415 HZ2 LYS 54 HZ2 LYS 54 1.190 2.981 23.594
416 HZ3 LYS 54 HZ3 LYS 54 0.026 1.916 24.201
417 H GLU 55 H GLU 55 -3.855 6.532 18.270
418 HA GLU 55 HA GLU 55 -6.111 5.883 19.948
419 HB2 GLU 55 HB2 GLU 55 -5.797 7.810 17.600
420 HB3 GLU 55 HB3 GLU 55 -7.258 7.669 18.575
421 HG2 GLU 55 HG2 GLU 55 -6.234 8.592 20.493
422 HG3 GLU 55 HG3 GLU 55 -4.606 8.309 19.874
423 H GLY 56 H GLY 56 -6.348 3.666 19.363
424 HA2 GLY 56 HA2 GLY 56 -8.463 2.908 17.882
425 HA3 GLY 56 HA3 GLY 56 -7.183 2.922 16.667
426 H ILE 57 H ILE 57 -5.782 1.227 16.574
427 HA ILE 57 HA ILE 57 -5.220 -0.949 16.600
428 HB ILE 57 HB ILE 57 -5.201 -0.547 19.633
429 HG12 ILE 57 HG12 ILE 57 -2.683 -0.673 19.310
430 HG13 ILE 57 HG13 ILE 57 -2.945 -0.688 17.571
431 HG21 ILE 57 HG21 ILE 57 -5.553 -2.951 19.211
432 HG22 ILE 57 HG22 ILE 57 -3.921 -2.676 19.819
433 HG23 ILE 57 HG23 ILE 57 -4.181 -2.981 18.100
434 HD11 ILE 57 HD11 ILE 57 -2.267 1.492 18.377
435 HD12 ILE 57 HD12 ILE 57 -3.662 1.558 19.452
436 HD13 ILE 57 HD13 ILE 57 -3.892 1.556 17.702
437 H GLN 58 H GLN 58 -7.221 -1.252 15.609
438 HA GLN 58 HA GLN 58 -8.966 -3.152 17.027
439 HB2 GLN 58 HB2 GLN 58 -10.901 -2.350 15.679
440 HB3 GLN 58 HB3 GLN 58 -10.298 -1.111 16.762
441 HG2 GLN 58 HG2 GLN 58 -9.544 -1.183 13.835
442 HG3 GLN 58 HG3 GLN 58 -11.009 -0.395 14.404
443 HE21 GLN 58 HE21 GLN 58 -10.817 1.528 15.652
444 HE22 GLN 58 HE22 GLN 58 -9.366 2.466 15.638
445 H THR 59 H THR 59 -9.228 -5.038 15.930
446 HA THR 59 HA THR 59 -7.434 -5.619 13.796
447 HB THR 59 HB THR 59 -7.825 -7.343 15.430
448 HG1 THR 59 HG1 THR 59 -8.150 -9.058 14.053
449 HG21 THR 59 HG21 THR 59 -10.128 -6.843 16.135
450 HG22 THR 59 HG22 THR 59 -9.950 -8.547 15.717
451 HG23 THR 59 HG23 THR 59 -10.746 -7.444 14.593
452 H ARG 60 H ARG 60 -7.825 -4.592 11.940
453 HA ARG 60 HA ARG 60 -10.409 -4.518 10.629
454 HB2 ARG 60 HB2 ARG 60 -8.500 -2.782 10.392
455 HB3 ARG 60 HB3 ARG 60 -7.674 -3.941 9.372
456 HG2 ARG 60 HG2 ARG 60 -10.459 -2.992 8.692
457 HG3 ARG 60 HG3 ARG 60 -9.056 -2.006 8.311
458 HD2 ARG 60 HD2 ARG 60 -9.197 -3.113 6.325
459 HD3 ARG 60 HD3 ARG 60 -8.235 -4.317 7.180
460 HE ARG 60 HE ARG 60 -11.170 -4.542 7.096
461 HH11 ARG 60 HH11 ARG 60 -8.038 -5.859 6.151
462 HH12 ARG 60 HH12 ARG 60 -8.714 -7.351 5.572
463 HH21 ARG 60 HH21 ARG 60 -12.044 -6.478 6.279
464 HH22 ARG 60 HH22 ARG 60 -10.983 -7.699 5.642
465 H LYS 61 H LYS 61 -10.885 -6.710 10.781
466 HA LYS 61 HA LYS 61 -9.864 -8.435 8.659
467 HB2 LYS 61 HB2 LYS 61 -8.429 -8.995 10.619
468 HB3 LYS 61 HB3 LYS 61 -9.859 -9.278 11.600
469 HG2 LYS 61 HG2 LYS 61 -10.410 -11.081 9.700
470 HG3 LYS 61 HG3 LYS 61 -8.675 -10.983 9.411
471 HD2 LYS 61 HD2 LYS 61 -9.130 -12.828 10.944
472 HD3 LYS 61 HD3 LYS 61 -8.269 -11.556 11.814
473 HE2 LYS 61 HE2 LYS 61 -10.388 -10.774 12.790
474 HE3 LYS 61 HE3 LYS 61 -11.271 -12.016 11.901
475 HZ1 LYS 61 HZ1 LYS 61 -10.043 -13.704 13.120
476 HZ2 LYS 61 HZ2 LYS 61 -10.880 -12.684 14.178
477 HZ3 LYS 61 HZ3 LYS 61 -9.209 -12.512 13.985
478 H ARG 62 H ARG 62 -11.921 -8.020 7.794
479 HA ARG 62 HA ARG 62 -14.030 -9.740 8.773
480 HB2 ARG 62 HB2 ARG 62 -14.470 -7.667 10.055
481 HB3 ARG 62 HB3 ARG 62 -14.491 -6.730 8.566
482 HG2 ARG 62 HG2 ARG 62 -16.504 -7.896 7.814
483 HG3 ARG 62 HG3 ARG 62 -16.470 -8.935 9.241
484 HD2 ARG 62 HD2 ARG 62 -16.850 -6.957 10.683
485 HD3 ARG 62 HD3 ARG 62 -16.839 -5.923 9.252
486 HE ARG 62 HE ARG 62 -18.897 -6.814 8.570
487 HH11 ARG 62 HH11 ARG 62 -17.925 -8.161 11.664
488 HH12 ARG 62 HH12 ARG 62 -19.519 -8.709 12.060
489 HH21 ARG 62 HH21 ARG 62 -20.986 -7.484 9.118
490 HH22 ARG 62 HH22 ARG 62 -21.263 -8.325 10.610
491 H LYS 63 H LYS 63 -14.956 -10.656 7.076
492 HA LYS 63 HA LYS 63 -14.567 -9.569 4.366
493 HB2 LYS 63 HB2 LYS 63 -15.341 -12.371 5.310
494 HB3 LYS 63 HB3 LYS 63 -15.284 -11.890 3.620
495 HG2 LYS 63 HG2 LYS 63 -13.269 -13.085 4.064
496 HG3 LYS 63 HG3 LYS 63 -12.829 -11.381 3.929
497 HD2 LYS 63 HD2 LYS 63 -12.805 -11.239 6.434
498 HD3 LYS 63 HD3 LYS 63 -13.144 -12.970 6.506
499 HE2 LYS 63 HE2 LYS 63 -10.702 -11.699 5.237
500 HE3 LYS 63 HE3 LYS 63 -10.748 -12.483 6.814
501 HZ1 LYS 63 HZ1 LYS 63 -11.289 -14.562 5.743
502 HZ2 LYS 63 HZ2 LYS 63 -9.873 -13.927 5.084
503 HZ3 LYS 63 HZ3 LYS 63 -11.320 -13.817 4.226
Start of MODEL 8
1 H1 SER 1 H1 SER 1 -26.738 20.227 0.863
2 H2 SER 1 H2 SER 1 -25.828 18.863 0.458
3 H3 SER 1 H3 SER 1 -27.002 18.763 1.666
4 HA SER 1 HA SER 1 -28.742 19.134 0.093
5 HB2 SER 1 HB2 SER 1 -28.180 19.215 -2.349
6 HB3 SER 1 HB3 SER 1 -27.490 20.586 -1.476
7 HG SER 1 HG SER 1 -25.804 19.867 -2.621
8 H HIS 2 H HIS 2 -29.498 17.399 -1.462
9 HA HIS 2 HA HIS 2 -28.375 14.763 -0.712
10 HB2 HIS 2 HB2 HIS 2 -31.157 15.505 -1.750
11 HB3 HIS 2 HB3 HIS 2 -30.635 13.871 -1.353
12 HD2 HIS 2 HD2 HIS 2 -31.416 17.250 0.510
13 HE1 HIS 2 HE1 HIS 2 -31.674 14.017 3.217
14 HE2 HIS 2 HE2 HIS 2 -31.774 16.529 2.970
15 H MET 3 H MET 3 -27.759 16.768 -3.101
16 HA MET 3 HA MET 3 -28.526 15.605 -5.539
17 HB2 MET 3 HB2 MET 3 -27.547 17.909 -5.270
18 HB3 MET 3 HB3 MET 3 -25.974 17.184 -4.969
19 HG2 MET 3 HG2 MET 3 -26.123 16.137 -7.270
20 HG3 MET 3 HG3 MET 3 -27.569 17.107 -7.541
21 HE1 MET 3 HE1 MET 3 -23.681 17.065 -7.153
22 HE2 MET 3 HE2 MET 3 -24.126 17.985 -5.713
23 HE3 MET 3 HE3 MET 3 -23.295 18.782 -7.049
24 H SER 4 H SER 4 -25.646 15.116 -3.555
25 HA SER 4 HA SER 4 -25.381 12.369 -4.475
26 HB2 SER 4 HB2 SER 4 -22.901 12.652 -4.850
27 HB3 SER 4 HB3 SER 4 -23.868 13.554 -6.013
28 HG SER 4 HG SER 4 -22.376 14.508 -3.820
29 H ALA 5 H ALA 5 -26.458 12.549 -2.289
30 HA ALA 5 HA ALA 5 -24.979 13.315 0.045
31 HB1 ALA 5 HB1 ALA 5 -26.857 12.291 1.295
32 HB2 ALA 5 HB2 ALA 5 -27.477 11.592 -0.203
33 HB3 ALA 5 HB3 ALA 5 -27.449 13.343 0.006
34 H SER 6 H SER 6 -23.017 12.217 0.067
35 HA SER 6 HA SER 6 -23.081 9.338 0.699
36 HB2 SER 6 HB2 SER 6 -22.581 9.526 -1.725
37 HB3 SER 6 HB3 SER 6 -21.219 10.583 -1.368
38 HG SER 6 HG SER 6 -21.505 7.898 -0.485
39 H ARG 7 H ARG 7 -22.712 9.965 2.846
40 HA ARG 7 HA ARG 7 -19.848 10.506 3.423
41 HB2 ARG 7 HB2 ARG 7 -22.183 10.806 5.375
42 HB3 ARG 7 HB3 ARG 7 -20.490 11.156 5.704
43 HG2 ARG 7 HG2 ARG 7 -20.596 12.998 3.999
44 HG3 ARG 7 HG3 ARG 7 -22.323 12.676 3.829
45 HD2 ARG 7 HD2 ARG 7 -22.626 13.171 6.248
46 HD3 ARG 7 HD3 ARG 7 -20.910 13.565 6.370
47 HE ARG 7 HE ARG 7 -22.922 15.082 4.806
48 HH11 ARG 7 HH11 ARG 7 -19.867 15.022 6.542
49 HH12 ARG 7 HH12 ARG 7 -19.624 16.735 6.411
50 HH21 ARG 7 HH21 ARG 7 -22.600 17.336 4.668
51 HH22 ARG 7 HH22 ARG 7 -21.170 18.041 5.351
52 H ARG 8 H ARG 8 -22.358 8.234 3.347
53 HA ARG 8 HA ARG 8 -21.113 6.393 5.303
54 HB2 ARG 8 HB2 ARG 8 -23.534 7.058 5.605
55 HB3 ARG 8 HB3 ARG 8 -23.910 6.296 4.064
56 HG2 ARG 8 HG2 ARG 8 -23.150 4.106 5.015
57 HG3 ARG 8 HG3 ARG 8 -22.865 4.907 6.562
58 HD2 ARG 8 HD2 ARG 8 -25.540 4.606 5.145
59 HD3 ARG 8 HD3 ARG 8 -25.019 3.756 6.603
60 HE ARG 8 HE ARG 8 -24.826 6.288 7.420
61 HH11 ARG 8 HH11 ARG 8 -27.475 4.719 5.702
62 HH12 ARG 8 HH12 ARG 8 -28.682 5.761 6.385
63 HH21 ARG 8 HH21 ARG 8 -26.418 7.647 8.281
64 HH22 ARG 8 HH22 ARG 8 -28.083 7.422 7.850
65 H VAL 9 H VAL 9 -20.916 4.164 4.687
66 HA VAL 9 HA VAL 9 -20.087 2.477 3.467
67 HB VAL 9 HB VAL 9 -21.688 3.550 1.097
68 HG11 VAL 9 HG11 VAL 9 -20.539 0.772 1.603
69 HG12 VAL 9 HG12 VAL 9 -19.974 1.928 0.393
70 HG13 VAL 9 HG13 VAL 9 -21.581 1.216 0.251
71 HG21 VAL 9 HG21 VAL 9 -23.451 1.944 1.776
72 HG22 VAL 9 HG22 VAL 9 -23.164 3.152 3.030
73 HG23 VAL 9 HG23 VAL 9 -22.516 1.520 3.215
74 H GLY 10 H GLY 10 -17.993 3.151 3.641
75 HA2 GLY 10 HA2 GLY 10 -16.662 3.904 1.170
76 HA3 GLY 10 HA3 GLY 10 -16.517 5.066 2.488
77 H LEU 11 H LEU 11 -14.645 3.016 1.071
78 HA LEU 11 HA LEU 11 -13.645 1.363 3.214
79 HB2 LEU 11 HB2 LEU 11 -12.369 2.201 0.579
80 HB3 LEU 11 HB3 LEU 11 -11.702 0.991 1.662
81 HG LEU 11 HG LEU 11 -14.374 0.736 0.217
82 HD11 LEU 11 HD11 LEU 11 -13.249 -0.924 -1.217
83 HD12 LEU 11 HD12 LEU 11 -11.707 -0.572 -0.433
84 HD13 LEU 11 HD13 LEU 11 -12.521 0.674 -1.381
85 HD21 LEU 11 HD21 LEU 11 -14.339 -0.499 2.330
86 HD22 LEU 11 HD22 LEU 11 -12.832 -1.294 1.868
87 HD23 LEU 11 HD23 LEU 11 -14.314 -1.608 0.960
88 H SER 12 H SER 12 -11.560 1.616 4.228
89 HA SER 12 HA SER 12 -10.383 4.336 4.251
90 HB2 SER 12 HB2 SER 12 -10.724 2.449 6.620
91 HB3 SER 12 HB3 SER 12 -9.888 3.997 6.665
92 HG SER 12 HG SER 12 -12.456 4.145 5.686
93 H CYS 13 H CYS 13 -8.228 4.409 3.996
94 HA CYS 13 HA CYS 13 -6.662 2.287 3.064
95 HB2 CYS 13 HB2 CYS 13 -6.122 4.604 2.547
96 HB3 CYS 13 HB3 CYS 13 -5.898 4.984 4.245
97 H ALA 14 H ALA 14 -6.173 0.552 4.260
98 HA ALA 14 HA ALA 14 -6.223 0.264 7.020
99 HB1 ALA 14 HB1 ALA 14 -6.260 -1.626 5.455
100 HB2 ALA 14 HB2 ALA 14 -5.029 -1.859 6.695
101 HB3 ALA 14 HB3 ALA 14 -4.561 -1.358 5.064
102 H ASN 15 H ASN 15 -3.779 1.669 5.107
103 HA ASN 15 HA ASN 15 -1.604 1.526 7.003
104 HB2 ASN 15 HB2 ASN 15 -1.433 1.570 4.427
105 HB3 ASN 15 HB3 ASN 15 -1.803 3.281 4.519
106 HD21 ASN 15 HD21 ASN 15 -0.100 3.816 6.922
107 HD22 ASN 15 HD22 ASN 15 1.516 3.674 6.364
108 H CYS 16 H CYS 16 -3.786 4.143 5.723
109 HA CYS 16 HA CYS 16 -2.760 5.983 7.811
110 HB2 CYS 16 HB2 CYS 16 -3.015 7.844 6.125
111 HB3 CYS 16 HB3 CYS 16 -1.763 6.683 5.746
112 H GLN 17 H GLN 17 -5.574 4.975 5.983
113 HA GLN 17 HA GLN 17 -7.814 5.197 6.221
114 HB2 GLN 17 HB2 GLN 17 -7.095 6.160 9.015
115 HB3 GLN 17 HB3 GLN 17 -8.725 5.734 8.502
116 HG2 GLN 17 HG2 GLN 17 -7.961 3.416 8.060
117 HG3 GLN 17 HG3 GLN 17 -6.344 3.859 8.595
118 HE21 GLN 17 HE21 GLN 17 -5.997 4.268 10.818
119 HE22 GLN 17 HE22 GLN 17 -7.079 3.660 12.020
120 H THR 18 H THR 18 -6.305 7.342 5.081
121 HA THR 18 HA THR 18 -7.407 9.881 5.672
122 HB THR 18 HB THR 18 -5.332 9.691 4.364
123 HG1 THR 18 HG1 THR 18 -5.845 11.215 2.774
124 HG21 THR 18 HG21 THR 18 -7.011 8.499 2.125
125 HG22 THR 18 HG22 THR 18 -5.835 7.622 3.109
126 HG23 THR 18 HG23 THR 18 -5.295 8.919 2.044
127 H THR 19 H THR 19 -8.593 7.160 3.932
128 HA THR 19 HA THR 19 -10.413 6.526 2.857
129 HB THR 19 HB THR 19 -12.599 7.574 3.159
130 HG1 THR 19 HG1 THR 19 -11.366 9.649 4.657
131 HG21 THR 19 HG21 THR 19 -11.767 6.126 4.981
132 HG22 THR 19 HG22 THR 19 -12.753 7.439 5.630
133 HG23 THR 19 HG23 THR 19 -10.997 7.525 5.745
134 H THR 20 H THR 20 -9.968 10.033 2.209
135 HA THR 20 HA THR 20 -10.845 9.940 -0.513
136 HB THR 20 HB THR 20 -8.970 11.937 0.844
137 HG1 THR 20 HG1 THR 20 -10.859 13.099 1.268
138 HG21 THR 20 HG21 THR 20 -9.750 13.539 -0.881
139 HG22 THR 20 HG22 THR 20 -10.681 12.259 -1.658
140 HG23 THR 20 HG23 THR 20 -8.923 12.155 -1.621
141 H THR 21 H THR 21 -9.774 8.994 -2.191
142 HA THR 21 HA THR 21 -6.937 9.266 -2.592
143 HB THR 21 HB THR 21 -6.934 7.345 -1.002
144 HG1 THR 21 HG1 THR 21 -5.294 7.341 -2.482
145 HG21 THR 21 HG21 THR 21 -8.516 5.876 -3.137
146 HG22 THR 21 HG22 THR 21 -9.126 6.341 -1.548
147 HG23 THR 21 HG23 THR 21 -7.826 5.156 -1.677
148 H THR 22 H THR 22 -6.230 8.476 -4.649
149 HA THR 22 HA THR 22 -8.193 8.682 -6.747
150 HB THR 22 HB THR 22 -5.197 8.099 -6.922
151 HG1 THR 22 HG1 THR 22 -5.118 10.394 -7.382
152 HG21 THR 22 HG21 THR 22 -5.353 8.969 -9.238
153 HG22 THR 22 HG22 THR 22 -7.098 9.140 -9.067
154 HG23 THR 22 HG23 THR 22 -6.375 7.533 -9.039
155 H LEU 23 H LEU 23 -6.414 6.073 -5.195
156 HA LEU 23 HA LEU 23 -7.878 4.031 -6.682
157 HB2 LEU 23 HB2 LEU 23 -5.916 4.442 -8.130
158 HB3 LEU 23 HB3 LEU 23 -4.836 4.229 -6.763
159 HG LEU 23 HG LEU 23 -5.517 1.815 -6.630
160 HD11 LEU 23 HD11 LEU 23 -6.753 0.781 -8.507
161 HD12 LEU 23 HD12 LEU 23 -7.076 2.385 -9.170
162 HD13 LEU 23 HD13 LEU 23 -7.742 1.929 -7.602
163 HD21 LEU 23 HD21 LEU 23 -4.398 2.686 -9.322
164 HD22 LEU 23 HD22 LEU 23 -4.259 1.069 -8.626
165 HD23 LEU 23 HD23 LEU 23 -3.477 2.435 -7.835
166 H TRP 24 H TRP 24 -8.385 2.387 -5.342
167 HA TRP 24 HA TRP 24 -6.994 1.988 -2.791
168 HB2 TRP 24 HB2 TRP 24 -9.414 0.581 -4.009
169 HB3 TRP 24 HB3 TRP 24 -8.716 0.158 -2.448
170 HD1 TRP 24 HD1 TRP 24 -11.451 2.144 -3.814
171 HE1 TRP 24 HE1 TRP 24 -12.304 3.853 -2.099
172 HE3 TRP 24 HE3 TRP 24 -7.539 1.996 -0.499
173 HZ2 TRP 24 HZ2 TRP 24 -11.434 5.002 0.330
174 HZ3 TRP 24 HZ3 TRP 24 -7.627 3.454 1.482
175 HH2 TRP 24 HH2 TRP 24 -9.538 4.925 1.890
176 H ARG 25 H ARG 25 -4.997 1.187 -3.312
177 HA ARG 25 HA ARG 25 -4.680 -1.252 -4.891
178 HB2 ARG 25 HB2 ARG 25 -2.755 0.560 -3.383
179 HB3 ARG 25 HB3 ARG 25 -2.245 -1.054 -3.876
180 HG2 ARG 25 HG2 ARG 25 -2.706 -0.501 -6.229
181 HG3 ARG 25 HG3 ARG 25 -3.222 1.119 -5.753
182 HD2 ARG 25 HD2 ARG 25 -1.048 1.797 -5.209
183 HD3 ARG 25 HD3 ARG 25 -0.471 0.149 -4.972
184 HE ARG 25 HE ARG 25 -1.043 1.340 -7.625
185 HH11 ARG 25 HH11 ARG 25 0.924 -0.759 -5.568
186 HH12 ARG 25 HH12 ARG 25 2.010 -1.189 -6.856
187 HH21 ARG 25 HH21 ARG 25 0.401 0.767 -9.293
188 HH22 ARG 25 HH22 ARG 25 1.714 -0.324 -8.963
189 H ARG 26 H ARG 26 -3.334 -3.057 -3.743
190 HA ARG 26 HA ARG 26 -4.498 -3.644 -1.062
191 HB2 ARG 26 HB2 ARG 26 -3.491 -5.697 -3.100
192 HB3 ARG 26 HB3 ARG 26 -4.377 -6.022 -1.616
193 HG2 ARG 26 HG2 ARG 26 -5.449 -4.691 -4.111
194 HG3 ARG 26 HG3 ARG 26 -5.803 -6.325 -3.558
195 HD2 ARG 26 HD2 ARG 26 -7.518 -5.573 -2.283
196 HD3 ARG 26 HD3 ARG 26 -6.471 -4.431 -1.442
197 HE ARG 26 HE ARG 26 -6.964 -3.239 -3.842
198 HH11 ARG 26 HH11 ARG 26 -9.043 -4.446 -1.265
199 HH12 ARG 26 HH12 ARG 26 -10.300 -3.296 -1.597
200 HH21 ARG 26 HH21 ARG 26 -8.632 -1.778 -4.264
201 HH22 ARG 26 HH22 ARG 26 -10.069 -1.794 -3.289
202 H ASN 27 H ASN 27 -3.043 -5.152 0.236
203 HA ASN 27 HA ASN 27 -0.166 -5.003 -0.531
204 HB2 ASN 27 HB2 ASN 27 0.495 -4.947 1.798
205 HB3 ASN 27 HB3 ASN 27 -0.637 -3.633 1.513
206 HD21 ASN 27 HD21 ASN 27 -2.745 -3.814 2.396
207 HD22 ASN 27 HD22 ASN 27 -3.036 -4.851 3.741
208 H ALA 28 H ALA 28 0.890 -6.865 1.167
209 HA ALA 28 HA ALA 28 0.403 -9.252 -0.226
210 HB1 ALA 28 HB1 ALA 28 2.564 -8.694 0.792
211 HB2 ALA 28 HB2 ALA 28 2.008 -10.287 1.310
212 HB3 ALA 28 HB3 ALA 28 1.876 -8.901 2.401
213 H GLU 29 H GLU 29 -1.006 -8.057 2.724
214 HA GLU 29 HA GLU 29 -2.423 -10.595 3.246
215 HB2 GLU 29 HB2 GLU 29 -1.976 -8.129 4.980
216 HB3 GLU 29 HB3 GLU 29 -3.022 -9.469 5.449
217 HG2 GLU 29 HG2 GLU 29 -1.075 -11.009 5.313
218 HG3 GLU 29 HG3 GLU 29 -0.045 -9.631 4.914
219 H GLY 30 H GLY 30 -2.977 -8.329 1.160
220 HA2 GLY 30 HA2 GLY 30 -4.902 -8.121 -0.097
221 HA3 GLY 30 HA3 GLY 30 -5.807 -8.879 1.194
222 H GLU 31 H GLU 31 -4.542 -6.587 2.990
223 HA GLU 31 HA GLU 31 -7.002 -5.265 3.231
224 HB2 GLU 31 HB2 GLU 31 -4.344 -4.293 4.359
225 HB3 GLU 31 HB3 GLU 31 -5.945 -3.869 4.951
226 HG2 GLU 31 HG2 GLU 31 -4.713 -6.631 5.027
227 HG3 GLU 31 HG3 GLU 31 -4.799 -5.518 6.389
228 HA PRO 32 HA PRO 32 -6.737 -2.222 0.038
229 HB2 PRO 32 HB2 PRO 32 -8.852 -0.607 0.689
230 HB3 PRO 32 HB3 PRO 32 -9.093 -2.282 0.160
231 HG2 PRO 32 HG2 PRO 32 -9.102 -1.171 2.951
232 HG3 PRO 32 HG3 PRO 32 -10.206 -2.352 2.210
233 HD2 PRO 32 HD2 PRO 32 -8.104 -3.080 3.838
234 HD3 PRO 32 HD3 PRO 32 -8.758 -4.125 2.554
235 H VAL 33 H VAL 33 -4.806 -1.126 0.304
236 HA VAL 33 HA VAL 33 -4.639 1.212 2.080
237 HB VAL 33 HB VAL 33 -2.264 1.355 1.366
238 HG11 VAL 33 HG11 VAL 33 -1.459 -0.711 2.467
239 HG12 VAL 33 HG12 VAL 33 -3.063 -1.430 2.298
240 HG13 VAL 33 HG13 VAL 33 -2.835 -0.010 3.323
241 HG21 VAL 33 HG21 VAL 33 -2.838 -1.111 -0.347
242 HG22 VAL 33 HG22 VAL 33 -1.241 -0.414 -0.063
243 HG23 VAL 33 HG23 VAL 33 -2.454 0.509 -0.946
244 H CYS 34 H CYS 34 -4.128 3.288 1.204
245 HA CYS 34 HA CYS 34 -5.560 3.995 -1.182
246 HB2 CYS 34 HB2 CYS 34 -4.798 6.325 -0.635
247 HB3 CYS 34 HB3 CYS 34 -5.568 5.531 0.729
248 H ASN 35 H ASN 35 -4.506 5.465 -2.835
249 HA ASN 35 HA ASN 35 -2.582 4.142 -4.325
250 HB2 ASN 35 HB2 ASN 35 -2.510 6.100 -5.807
251 HB3 ASN 35 HB3 ASN 35 -4.169 5.799 -5.313
252 HD21 ASN 35 HD21 ASN 35 -2.996 8.227 -6.355
253 HD22 ASN 35 HD22 ASN 35 -3.270 9.459 -5.176
254 H ALA 36 H ALA 36 -2.148 6.876 -2.079
255 HA ALA 36 HA ALA 36 0.571 7.459 -2.637
256 HB1 ALA 36 HB1 ALA 36 -0.990 7.917 -0.074
257 HB2 ALA 36 HB2 ALA 36 -0.936 9.001 -1.463
258 HB3 ALA 36 HB3 ALA 36 0.528 8.715 -0.524
259 H CYS 37 H CYS 37 -0.944 5.220 -0.349
260 HA CYS 37 HA CYS 37 1.477 4.405 1.001
261 HB2 CYS 37 HB2 CYS 37 -1.301 3.140 1.026
262 HB3 CYS 37 HB3 CYS 37 0.020 2.762 2.140
263 H GLY 38 H GLY 38 -0.477 3.200 -1.654
264 HA2 GLY 38 HA2 GLY 38 0.771 0.588 -1.787
265 HA3 GLY 38 HA3 GLY 38 -0.416 1.248 -2.897
266 H LEU 39 H LEU 39 1.136 3.661 -3.445
267 HA LEU 39 HA LEU 39 2.913 2.731 -5.491
268 HB2 LEU 39 HB2 LEU 39 2.424 5.527 -4.386
269 HB3 LEU 39 HB3 LEU 39 3.528 5.193 -5.713
270 HG LEU 39 HG LEU 39 0.521 4.696 -5.767
271 HD11 LEU 39 HD11 LEU 39 0.430 6.564 -7.370
272 HD12 LEU 39 HD12 LEU 39 2.162 6.839 -7.162
273 HD13 LEU 39 HD13 LEU 39 1.058 7.087 -5.807
274 HD21 LEU 39 HD21 LEU 39 0.837 4.188 -8.166
275 HD22 LEU 39 HD22 LEU 39 1.689 3.041 -7.137
276 HD23 LEU 39 HD23 LEU 39 2.586 4.316 -7.965
277 H TYR 40 H TYR 40 3.260 3.912 -2.192
278 HA TYR 40 HA TYR 40 6.089 4.009 -2.069
279 HB2 TYR 40 HB2 TYR 40 4.480 4.954 -0.335
280 HB3 TYR 40 HB3 TYR 40 4.188 3.313 0.222
281 HD1 TYR 40 HD1 TYR 40 6.049 2.042 1.368
282 HD2 TYR 40 HD2 TYR 40 6.512 6.144 0.273
283 HE1 TYR 40 HE1 TYR 40 7.968 2.231 2.884
284 HE2 TYR 40 HE2 TYR 40 8.445 6.323 1.779
285 HH TYR 40 HH TYR 40 9.416 5.245 3.684
286 H MET 41 H MET 41 3.721 1.397 -1.608
287 HA MET 41 HA MET 41 5.611 -0.650 -0.933
288 HB2 MET 41 HB2 MET 41 2.715 -0.756 -1.861
289 HB3 MET 41 HB3 MET 41 3.651 -2.209 -1.522
290 HG2 MET 41 HG2 MET 41 4.064 -1.249 0.798
291 HG3 MET 41 HG3 MET 41 2.827 -0.049 0.409
292 HE1 MET 41 HE1 MET 41 3.160 -2.556 2.667
293 HE2 MET 41 HE2 MET 41 1.470 -3.031 2.874
294 HE3 MET 41 HE3 MET 41 1.911 -1.323 2.883
295 H LYS 42 H LYS 42 4.406 0.624 -3.980
296 HA LYS 42 HA LYS 42 5.355 -1.499 -5.658
297 HB2 LYS 42 HB2 LYS 42 3.620 0.204 -6.342
298 HB3 LYS 42 HB3 LYS 42 4.901 1.414 -6.426
299 HG2 LYS 42 HG2 LYS 42 6.059 -0.145 -8.111
300 HG3 LYS 42 HG3 LYS 42 4.549 -1.060 -8.144
301 HD2 LYS 42 HD2 LYS 42 4.537 0.457 -10.008
302 HD3 LYS 42 HD3 LYS 42 3.361 1.050 -8.834
303 HE2 LYS 42 HE2 LYS 42 4.952 2.737 -8.047
304 HE3 LYS 42 HE3 LYS 42 6.198 2.110 -9.129
305 HZ1 LYS 42 HZ1 LYS 42 5.150 4.068 -10.049
306 HZ2 LYS 42 HZ2 LYS 42 3.630 3.342 -9.971
307 HZ3 LYS 42 HZ3 LYS 42 4.807 2.722 -11.008
308 H LEU 43 H LEU 43 6.629 1.620 -4.632
309 HA LEU 43 HA LEU 43 9.067 1.509 -6.138
310 HB2 LEU 43 HB2 LEU 43 8.078 3.358 -3.930
311 HB3 LEU 43 HB3 LEU 43 9.595 3.597 -4.779
312 HG LEU 43 HG LEU 43 6.897 3.556 -6.192
313 HD11 LEU 43 HD11 LEU 43 7.000 6.007 -6.277
314 HD12 LEU 43 HD12 LEU 43 8.448 6.001 -5.267
315 HD13 LEU 43 HD13 LEU 43 6.911 5.430 -4.613
316 HD21 LEU 43 HD21 LEU 43 8.138 4.618 -8.044
317 HD22 LEU 43 HD22 LEU 43 8.782 3.027 -7.647
318 HD23 LEU 43 HD23 LEU 43 9.637 4.478 -7.117
319 H HIS 44 H HIS 44 8.083 0.518 -2.907
320 HA HIS 44 HA HIS 44 10.892 -0.191 -2.236
321 HB2 HIS 44 HB2 HIS 44 8.894 0.925 -0.202
322 HB3 HIS 44 HB3 HIS 44 10.602 0.561 0.066
323 HD1 HIS 44 HD1 HIS 44 12.221 2.020 -1.751
324 HD2 HIS 44 HD2 HIS 44 8.495 3.571 -0.729
325 HE1 HIS 44 HE1 HIS 44 12.256 4.422 -2.489
326 HE2 HIS 44 HE2 HIS 44 10.024 5.344 -1.833
327 H GLY 45 H GLY 45 7.681 -0.676 -0.651
328 HA2 GLY 45 HA2 GLY 45 6.878 -3.108 -1.251
329 HA3 GLY 45 HA3 GLY 45 8.319 -3.551 -0.344
330 H VAL 46 H VAL 46 8.072 -1.414 1.586
331 HA VAL 46 HA VAL 46 6.216 -2.755 3.399
332 HB VAL 46 HB VAL 46 7.308 -1.429 5.174
333 HG11 VAL 46 HG11 VAL 46 8.318 -3.566 4.541
334 HG12 VAL 46 HG12 VAL 46 9.574 -2.424 5.023
335 HG13 VAL 46 HG13 VAL 46 9.303 -2.772 3.312
336 HG21 VAL 46 HG21 VAL 46 9.260 0.042 4.678
337 HG22 VAL 46 HG22 VAL 46 7.769 0.663 3.972
338 HG23 VAL 46 HG23 VAL 46 8.954 -0.150 2.948
339 HA PRO 47 HA PRO 47 3.088 0.530 3.514
340 HB2 PRO 47 HB2 PRO 47 2.607 0.813 6.241
341 HB3 PRO 47 HB3 PRO 47 1.960 -0.512 5.256
342 HG2 PRO 47 HG2 PRO 47 4.369 -0.503 7.044
343 HG3 PRO 47 HG3 PRO 47 3.103 -1.743 6.869
344 HD2 PRO 47 HD2 PRO 47 5.501 -2.027 5.676
345 HD3 PRO 47 HD3 PRO 47 4.009 -2.582 4.885
346 H ARG 48 H ARG 48 2.830 2.734 3.914
347 HA ARG 48 HA ARG 48 5.157 4.313 3.978
348 HB2 ARG 48 HB2 ARG 48 2.532 4.725 3.139
349 HB3 ARG 48 HB3 ARG 48 2.589 5.726 4.575
350 HG2 ARG 48 HG2 ARG 48 4.974 6.372 3.207
351 HG3 ARG 48 HG3 ARG 48 3.773 6.206 1.927
352 HD2 ARG 48 HD2 ARG 48 3.778 8.491 2.589
353 HD3 ARG 48 HD3 ARG 48 2.303 7.786 3.251
354 HE ARG 48 HE ARG 48 4.252 7.593 5.237
355 HH11 ARG 48 HH11 ARG 48 2.565 10.189 3.535
356 HH12 ARG 48 HH12 ARG 48 2.709 11.301 4.860
357 HH21 ARG 48 HH21 ARG 48 4.469 9.080 6.935
358 HH22 ARG 48 HH22 ARG 48 3.793 10.673 6.790
359 HA PRO 49 HA PRO 49 5.680 4.331 8.497
360 HB2 PRO 49 HB2 PRO 49 7.657 6.522 7.880
361 HB3 PRO 49 HB3 PRO 49 7.897 5.006 8.774
362 HG2 PRO 49 HG2 PRO 49 8.885 5.276 6.326
363 HG3 PRO 49 HG3 PRO 49 8.145 3.734 6.824
364 HD2 PRO 49 HD2 PRO 49 6.948 5.945 5.147
365 HD3 PRO 49 HD3 PRO 49 6.904 4.184 4.889
366 H LEU 50 H LEU 50 3.878 5.220 9.384
367 HA LEU 50 HA LEU 50 3.490 8.148 9.383
368 HB2 LEU 50 HB2 LEU 50 1.700 5.940 10.478
369 HB3 LEU 50 HB3 LEU 50 1.315 7.655 10.469
370 HG LEU 50 HG LEU 50 1.571 5.843 8.039
371 HD11 LEU 50 HD11 LEU 50 -0.822 6.253 7.774
372 HD12 LEU 50 HD12 LEU 50 -0.838 7.243 9.235
373 HD13 LEU 50 HD13 LEU 50 -0.474 5.518 9.337
374 HD21 LEU 50 HD21 LEU 50 0.977 8.827 8.102
375 HD22 LEU 50 HD22 LEU 50 0.834 7.781 6.686
376 HD23 LEU 50 HD23 LEU 50 2.412 8.053 7.422
377 H ALA 51 H ALA 51 3.141 5.549 11.813
378 HA ALA 51 HA ALA 51 4.743 7.023 13.781
379 HB1 ALA 51 HB1 ALA 51 1.847 6.203 14.267
380 HB2 ALA 51 HB2 ALA 51 2.443 7.856 14.115
381 HB3 ALA 51 HB3 ALA 51 2.950 6.865 15.482
382 H MET 52 H MET 52 6.153 5.563 14.501
383 HA MET 52 HA MET 52 5.641 2.680 14.327
384 HB2 MET 52 HB2 MET 52 8.167 4.236 15.043
385 HB3 MET 52 HB3 MET 52 8.070 2.485 14.908
386 HG2 MET 52 HG2 MET 52 7.629 2.632 12.539
387 HG3 MET 52 HG3 MET 52 7.503 4.391 12.633
388 HE1 MET 52 HE1 MET 52 9.979 1.376 13.397
389 HE2 MET 52 HE2 MET 52 10.161 2.462 14.777
390 HE3 MET 52 HE3 MET 52 11.484 2.260 13.628
391 H ARG 53 H ARG 53 4.816 1.641 16.073
392 HA ARG 53 HA ARG 53 5.524 2.555 18.807
393 HB2 ARG 53 HB2 ARG 53 3.110 1.012 17.770
394 HB3 ARG 53 HB3 ARG 53 3.571 0.935 19.465
395 HG2 ARG 53 HG2 ARG 53 1.828 2.571 19.258
396 HG3 ARG 53 HG3 ARG 53 3.331 3.418 19.612
397 HD2 ARG 53 HD2 ARG 53 3.540 4.035 17.218
398 HD3 ARG 53 HD3 ARG 53 2.025 3.195 16.874
399 HE ARG 53 HE ARG 53 2.142 5.464 18.764
400 HH11 ARG 53 HH11 ARG 53 0.802 4.034 15.844
401 HH12 ARG 53 HH12 ARG 53 -0.405 5.269 15.668
402 HH21 ARG 53 HH21 ARG 53 0.584 7.052 18.517
403 HH22 ARG 53 HH22 ARG 53 -0.526 6.978 17.184
404 H LYS 54 H LYS 54 6.976 1.333 19.867
405 HA LYS 54 HA LYS 54 7.706 -1.355 19.097
406 HB2 LYS 54 HB2 LYS 54 9.190 0.461 20.278
407 HB3 LYS 54 HB3 LYS 54 8.362 0.009 21.755
408 HG2 LYS 54 HG2 LYS 54 9.975 -1.928 20.057
409 HG3 LYS 54 HG3 LYS 54 10.645 -1.023 21.413
410 HD2 LYS 54 HD2 LYS 54 8.889 -2.151 22.882
411 HD3 LYS 54 HD3 LYS 54 8.500 -3.175 21.499
412 HE2 LYS 54 HE2 LYS 54 11.194 -3.000 22.896
413 HE3 LYS 54 HE3 LYS 54 10.040 -4.324 23.030
414 HZ1 LYS 54 HZ1 LYS 54 11.498 -3.514 20.576
415 HZ2 LYS 54 HZ2 LYS 54 10.358 -4.753 20.656
416 HZ3 LYS 54 HZ3 LYS 54 11.805 -4.882 21.519
417 H GLU 55 H GLU 55 5.576 -2.227 19.079
418 HA GLU 55 HA GLU 55 4.045 -2.355 21.613
419 HB2 GLU 55 HB2 GLU 55 3.041 -1.111 19.658
420 HB3 GLU 55 HB3 GLU 55 3.087 -2.599 18.718
421 HG2 GLU 55 HG2 GLU 55 1.513 -3.646 20.282
422 HG3 GLU 55 HG3 GLU 55 1.494 -2.185 21.266
423 H GLY 56 H GLY 56 4.718 -4.232 22.523
424 HA2 GLY 56 HA2 GLY 56 5.484 -6.607 21.111
425 HA3 GLY 56 HA3 GLY 56 5.310 -6.419 22.850
426 H ILE 57 H ILE 57 3.432 -6.798 19.870
427 HA ILE 57 HA ILE 57 1.454 -8.489 21.259
428 HB ILE 57 HB ILE 57 0.481 -6.191 21.076
429 HG12 ILE 57 HG12 ILE 57 -0.860 -8.190 19.189
430 HG13 ILE 57 HG13 ILE 57 -1.041 -8.162 20.939
431 HG21 ILE 57 HG21 ILE 57 0.828 -6.504 18.067
432 HG22 ILE 57 HG22 ILE 57 1.720 -5.389 19.103
433 HG23 ILE 57 HG23 ILE 57 -0.017 -5.175 18.869
434 HD11 ILE 57 HD11 ILE 57 -2.970 -7.209 19.835
435 HD12 ILE 57 HD12 ILE 57 -1.956 -6.012 19.031
436 HD13 ILE 57 HD13 ILE 57 -2.139 -5.983 20.789
437 H GLN 58 H GLN 58 0.757 -10.215 20.017
438 HA GLN 58 HA GLN 58 1.945 -10.728 17.419
439 HB2 GLN 58 HB2 GLN 58 1.507 -12.577 19.027
440 HB3 GLN 58 HB3 GLN 58 -0.221 -12.246 18.942
441 HG2 GLN 58 HG2 GLN 58 -0.235 -12.861 16.561
442 HG3 GLN 58 HG3 GLN 58 1.503 -13.160 16.621
443 HE21 GLN 58 HE21 GLN 58 -1.638 -14.310 17.636
444 HE22 GLN 58 HE22 GLN 58 -1.133 -15.901 18.076
445 H THR 59 H THR 59 1.222 -9.503 15.795
446 HA THR 59 HA THR 59 -1.407 -8.327 15.730
447 HB THR 59 HB THR 59 -0.635 -7.309 13.565
448 HG1 THR 59 HG1 THR 59 0.870 -8.414 12.569
449 HG21 THR 59 HG21 THR 59 -0.142 -6.147 15.690
450 HG22 THR 59 HG22 THR 59 1.153 -5.898 14.519
451 HG23 THR 59 HG23 THR 59 1.372 -7.048 15.839
452 H ARG 60 H ARG 60 -0.639 -11.411 15.142
453 HA ARG 60 HA ARG 60 -2.110 -11.905 12.719
454 HB2 ARG 60 HB2 ARG 60 -0.288 -13.443 13.826
455 HB3 ARG 60 HB3 ARG 60 -1.586 -13.997 14.870
456 HG2 ARG 60 HG2 ARG 60 -1.659 -15.608 13.207
457 HG3 ARG 60 HG3 ARG 60 -2.848 -14.465 12.584
458 HD2 ARG 60 HD2 ARG 60 -0.065 -15.065 11.602
459 HD3 ARG 60 HD3 ARG 60 -1.561 -14.912 10.683
460 HE ARG 60 HE ARG 60 0.011 -12.659 11.791
461 HH11 ARG 60 HH11 ARG 60 -2.102 -13.897 9.268
462 HH12 ARG 60 HH12 ARG 60 -2.071 -12.424 8.357
463 HH21 ARG 60 HH21 ARG 60 0.001 -10.742 10.635
464 HH22 ARG 60 HH22 ARG 60 -0.870 -10.626 9.141
465 H LYS 61 H LYS 61 -4.051 -10.737 13.152
466 HA LYS 61 HA LYS 61 -6.085 -12.547 14.114
467 HB2 LYS 61 HB2 LYS 61 -7.266 -11.041 15.596
468 HB3 LYS 61 HB3 LYS 61 -5.639 -11.283 16.194
469 HG2 LYS 61 HG2 LYS 61 -6.471 -8.807 14.654
470 HG3 LYS 61 HG3 LYS 61 -6.610 -8.947 16.406
471 HD2 LYS 61 HD2 LYS 61 -4.122 -9.412 16.480
472 HD3 LYS 61 HD3 LYS 61 -4.058 -9.019 14.758
473 HE2 LYS 61 HE2 LYS 61 -4.920 -7.163 17.004
474 HE3 LYS 61 HE3 LYS 61 -3.401 -7.091 16.116
475 HZ1 LYS 61 HZ1 LYS 61 -4.970 -5.444 15.334
476 HZ2 LYS 61 HZ2 LYS 61 -6.101 -6.638 14.962
477 HZ3 LYS 61 HZ3 LYS 61 -4.647 -6.563 14.108
478 H ARG 62 H ARG 62 -5.095 -11.276 11.613
479 HA ARG 62 HA ARG 62 -7.191 -9.597 10.594
480 HB2 ARG 62 HB2 ARG 62 -4.731 -9.909 9.702
481 HB3 ARG 62 HB3 ARG 62 -5.349 -11.316 8.865
482 HG2 ARG 62 HG2 ARG 62 -6.583 -8.576 8.439
483 HG3 ARG 62 HG3 ARG 62 -5.122 -9.059 7.588
484 HD2 ARG 62 HD2 ARG 62 -6.944 -9.444 6.093
485 HD3 ARG 62 HD3 ARG 62 -6.419 -11.026 6.658
486 HE ARG 62 HE ARG 62 -8.442 -11.331 7.666
487 HH11 ARG 62 HH11 ARG 62 -8.318 -7.956 6.649
488 HH12 ARG 62 HH12 ARG 62 -9.993 -7.689 7.003
489 HH21 ARG 62 HH21 ARG 62 -10.590 -10.917 8.184
490 HH22 ARG 62 HH22 ARG 62 -11.274 -9.352 7.870
491 H LYS 63 H LYS 63 -6.245 -12.978 9.900
492 HA LYS 63 HA LYS 63 -7.290 -14.855 9.311
493 HB2 LYS 63 HB2 LYS 63 -8.567 -14.520 11.402
494 HB3 LYS 63 HB3 LYS 63 -9.778 -13.592 10.536
495 HG2 LYS 63 HG2 LYS 63 -9.274 -16.407 9.608
496 HG3 LYS 63 HG3 LYS 63 -10.109 -16.200 11.146
497 HD2 LYS 63 HD2 LYS 63 -11.848 -14.844 10.031
498 HD3 LYS 63 HD3 LYS 63 -11.011 -15.008 8.485
499 HE2 LYS 63 HE2 LYS 63 -12.929 -16.563 8.681
500 HE3 LYS 63 HE3 LYS 63 -11.406 -17.438 8.515
501 HZ1 LYS 63 HZ1 LYS 63 -12.814 -16.933 11.079
502 HZ2 LYS 63 HZ2 LYS 63 -11.412 -17.855 10.874
503 HZ3 LYS 63 HZ3 LYS 63 -12.873 -18.377 10.209
Start of MODEL 9
1 H1 SER 1 H1 SER 1 -27.751 1.730 25.188
2 H2 SER 1 H2 SER 1 -29.323 2.316 25.357
3 H3 SER 1 H3 SER 1 -28.467 2.606 23.932
4 HA SER 1 HA SER 1 -29.289 -0.045 24.938
5 HB2 SER 1 HB2 SER 1 -31.241 1.292 24.215
6 HB3 SER 1 HB3 SER 1 -30.460 1.637 22.674
7 HG SER 1 HG SER 1 -32.021 -0.376 23.231
8 H HIS 2 H HIS 2 -27.908 -1.557 24.195
9 HA HIS 2 HA HIS 2 -25.967 -1.130 22.178
10 HB2 HIS 2 HB2 HIS 2 -26.907 -3.743 23.438
11 HB3 HIS 2 HB3 HIS 2 -25.482 -3.570 22.424
12 HD2 HIS 2 HD2 HIS 2 -23.455 -1.802 23.614
13 HE1 HIS 2 HE1 HIS 2 -24.783 -2.783 27.506
14 HE2 HIS 2 HE2 HIS 2 -22.810 -2.044 26.112
15 H MET 3 H MET 3 -27.170 -0.399 20.442
16 HA MET 3 HA MET 3 -27.778 -2.385 18.480
17 HB2 MET 3 HB2 MET 3 -30.021 -2.179 19.584
18 HB3 MET 3 HB3 MET 3 -30.011 -0.447 19.292
19 HG2 MET 3 HG2 MET 3 -29.949 -2.522 17.082
20 HG3 MET 3 HG3 MET 3 -31.426 -1.780 17.696
21 HE1 MET 3 HE1 MET 3 -31.984 -1.058 15.099
22 HE2 MET 3 HE2 MET 3 -30.460 -1.782 14.586
23 HE3 MET 3 HE3 MET 3 -30.851 -0.130 14.116
24 H SER 4 H SER 4 -26.613 -1.594 16.832
25 HA SER 4 HA SER 4 -26.668 1.255 16.157
26 HB2 SER 4 HB2 SER 4 -24.785 0.963 17.809
27 HB3 SER 4 HB3 SER 4 -24.043 -0.217 16.725
28 HG SER 4 HG SER 4 -23.887 2.470 16.677
29 H ALA 5 H ALA 5 -27.650 0.775 14.239
30 HA ALA 5 HA ALA 5 -27.001 -1.361 12.491
31 HB1 ALA 5 HB1 ALA 5 -29.199 -0.265 12.486
32 HB2 ALA 5 HB2 ALA 5 -28.475 -0.209 10.879
33 HB3 ALA 5 HB3 ALA 5 -28.474 1.234 11.898
34 H SER 6 H SER 6 -25.519 -1.515 10.846
35 HA SER 6 HA SER 6 -23.272 0.215 10.877
36 HB2 SER 6 HB2 SER 6 -23.026 -2.181 10.432
37 HB3 SER 6 HB3 SER 6 -23.988 -2.047 8.964
38 HG SER 6 HG SER 6 -21.734 -2.074 8.561
39 H ARG 7 H ARG 7 -23.874 2.277 10.270
40 HA ARG 7 HA ARG 7 -24.401 2.763 7.398
41 HB2 ARG 7 HB2 ARG 7 -25.964 3.841 9.076
42 HB3 ARG 7 HB3 ARG 7 -24.604 4.701 9.776
43 HG2 ARG 7 HG2 ARG 7 -25.235 5.071 6.845
44 HG3 ARG 7 HG3 ARG 7 -26.224 5.885 8.049
45 HD2 ARG 7 HD2 ARG 7 -24.235 7.047 8.922
46 HD3 ARG 7 HD3 ARG 7 -23.208 6.211 7.753
47 HE ARG 7 HE ARG 7 -25.066 7.421 6.191
48 HH11 ARG 7 HH11 ARG 7 -22.911 8.701 8.692
49 HH12 ARG 7 HH12 ARG 7 -22.813 10.276 7.965
50 HH21 ARG 7 HH21 ARG 7 -24.921 9.491 5.255
51 HH22 ARG 7 HH22 ARG 7 -23.953 10.718 6.007
52 H ARG 8 H ARG 8 -22.321 2.422 6.604
53 HA ARG 8 HA ARG 8 -20.070 3.845 7.885
54 HB2 ARG 8 HB2 ARG 8 -18.570 2.453 6.574
55 HB3 ARG 8 HB3 ARG 8 -19.720 1.444 7.439
56 HG2 ARG 8 HG2 ARG 8 -20.974 1.024 5.399
57 HG3 ARG 8 HG3 ARG 8 -19.969 2.164 4.500
58 HD2 ARG 8 HD2 ARG 8 -17.990 0.708 4.902
59 HD3 ARG 8 HD3 ARG 8 -19.028 -0.440 5.755
60 HE ARG 8 HE ARG 8 -20.300 -0.474 3.496
61 HH11 ARG 8 HH11 ARG 8 -16.780 -0.258 3.788
62 HH12 ARG 8 HH12 ARG 8 -16.499 -1.039 2.262
63 HH21 ARG 8 HH21 ARG 8 -19.904 -1.490 1.522
64 HH22 ARG 8 HH22 ARG 8 -18.275 -1.739 0.974
65 H VAL 9 H VAL 9 -18.836 5.337 6.849
66 HA VAL 9 HA VAL 9 -19.933 6.841 4.674
67 HB VAL 9 HB VAL 9 -17.165 7.044 5.948
68 HG11 VAL 9 HG11 VAL 9 -17.150 9.381 5.144
69 HG12 VAL 9 HG12 VAL 9 -18.699 9.119 4.339
70 HG13 VAL 9 HG13 VAL 9 -17.264 8.241 3.800
71 HG21 VAL 9 HG21 VAL 9 -19.728 8.500 6.709
72 HG22 VAL 9 HG22 VAL 9 -18.132 8.817 7.392
73 HG23 VAL 9 HG23 VAL 9 -18.910 7.257 7.663
74 H GLY 10 H GLY 10 -17.536 4.271 4.992
75 HA2 GLY 10 HA2 GLY 10 -17.890 3.040 2.642
76 HA3 GLY 10 HA3 GLY 10 -16.794 4.331 2.158
77 H LEU 11 H LEU 11 -14.685 3.870 2.252
78 HA LEU 11 HA LEU 11 -13.687 1.657 3.953
79 HB2 LEU 11 HB2 LEU 11 -12.666 2.690 1.273
80 HB3 LEU 11 HB3 LEU 11 -11.779 1.544 2.262
81 HG LEU 11 HG LEU 11 -14.474 1.039 0.927
82 HD11 LEU 11 HD11 LEU 11 -13.237 -0.531 -0.499
83 HD12 LEU 11 HD12 LEU 11 -11.725 -0.095 0.303
84 HD13 LEU 11 HD13 LEU 11 -12.595 1.104 -0.659
85 HD21 LEU 11 HD21 LEU 11 -14.217 -1.297 1.692
86 HD22 LEU 11 HD22 LEU 11 -14.350 -0.179 3.047
87 HD23 LEU 11 HD23 LEU 11 -12.774 -0.842 2.606
88 H SER 12 H SER 12 -11.473 1.912 4.715
89 HA SER 12 HA SER 12 -10.266 4.593 4.558
90 HB2 SER 12 HB2 SER 12 -10.481 2.940 7.114
91 HB3 SER 12 HB3 SER 12 -9.540 4.419 6.945
92 HG SER 12 HG SER 12 -12.032 4.861 6.123
93 H CYS 13 H CYS 13 -8.025 4.515 4.433
94 HA CYS 13 HA CYS 13 -6.704 2.400 3.201
95 HB2 CYS 13 HB2 CYS 13 -5.970 4.738 3.114
96 HB3 CYS 13 HB3 CYS 13 -5.555 4.717 4.825
97 H ALA 14 H ALA 14 -6.070 0.457 4.005
98 HA ALA 14 HA ALA 14 -5.856 -0.044 6.857
99 HB1 ALA 14 HB1 ALA 14 -5.374 -2.356 6.173
100 HB2 ALA 14 HB2 ALA 14 -5.239 -1.848 4.489
101 HB3 ALA 14 HB3 ALA 14 -6.789 -1.727 5.324
102 H ASN 15 H ASN 15 -4.184 1.787 6.814
103 HA ASN 15 HA ASN 15 -1.623 0.893 7.468
104 HB2 ASN 15 HB2 ASN 15 -1.160 0.635 5.076
105 HB3 ASN 15 HB3 ASN 15 -1.796 2.239 4.723
106 HD21 ASN 15 HD21 ASN 15 -0.447 3.989 4.942
107 HD22 ASN 15 HD22 ASN 15 1.198 3.897 5.439
108 H CYS 16 H CYS 16 -2.965 3.794 5.823
109 HA CYS 16 HA CYS 16 -1.909 5.504 7.982
110 HB2 CYS 16 HB2 CYS 16 -2.192 7.375 6.334
111 HB3 CYS 16 HB3 CYS 16 -1.066 6.124 5.812
112 H GLN 17 H GLN 17 -4.821 4.190 6.846
113 HA GLN 17 HA GLN 17 -6.939 4.247 7.541
114 HB2 GLN 17 HB2 GLN 17 -5.822 5.899 9.837
115 HB3 GLN 17 HB3 GLN 17 -7.457 5.240 9.801
116 HG2 GLN 17 HG2 GLN 17 -6.574 2.954 9.727
117 HG3 GLN 17 HG3 GLN 17 -4.923 3.571 9.657
118 HE21 GLN 17 HE21 GLN 17 -4.000 4.436 11.531
119 HE22 GLN 17 HE22 GLN 17 -4.662 4.145 13.099
120 H THR 18 H THR 18 -5.740 6.623 5.922
121 HA THR 18 HA THR 18 -7.645 8.736 6.285
122 HB THR 18 HB THR 18 -5.384 9.148 5.291
123 HG1 THR 18 HG1 THR 18 -6.239 10.793 4.291
124 HG21 THR 18 HG21 THR 18 -6.458 7.774 2.792
125 HG22 THR 18 HG22 THR 18 -5.193 7.129 3.839
126 HG23 THR 18 HG23 THR 18 -4.913 8.619 2.934
127 H THR 19 H THR 19 -9.541 9.070 5.193
128 HA THR 19 HA THR 19 -10.726 6.829 3.731
129 HB THR 19 HB THR 19 -12.832 8.266 3.881
130 HG1 THR 19 HG1 THR 19 -12.516 10.285 4.399
131 HG21 THR 19 HG21 THR 19 -11.472 7.734 6.551
132 HG22 THR 19 HG22 THR 19 -12.324 6.512 5.603
133 HG23 THR 19 HG23 THR 19 -13.206 7.890 6.277
134 H THR 20 H THR 20 -9.143 9.806 3.045
135 HA THR 20 HA THR 20 -10.362 10.114 0.397
136 HB THR 20 HB THR 20 -9.891 12.167 1.768
137 HG1 THR 20 HG1 THR 20 -10.052 12.590 -0.362
138 HG21 THR 20 HG21 THR 20 -6.963 11.562 1.214
139 HG22 THR 20 HG22 THR 20 -7.741 11.538 2.799
140 HG23 THR 20 HG23 THR 20 -7.596 13.055 1.908
141 H THR 21 H THR 21 -9.291 9.797 -1.510
142 HA THR 21 HA THR 21 -6.543 9.391 -1.928
143 HB THR 21 HB THR 21 -6.970 7.201 -0.757
144 HG1 THR 21 HG1 THR 21 -6.519 6.392 -3.375
145 HG21 THR 21 HG21 THR 21 -8.294 5.439 -1.855
146 HG22 THR 21 HG22 THR 21 -8.776 6.570 -3.117
147 HG23 THR 21 HG23 THR 21 -9.322 6.822 -1.459
148 H THR 22 H THR 22 -6.204 8.394 -4.224
149 HA THR 22 HA THR 22 -8.326 9.251 -6.078
150 HB THR 22 HB THR 22 -6.553 8.846 -7.834
151 HG1 THR 22 HG1 THR 22 -4.478 8.341 -7.186
152 HG21 THR 22 HG21 THR 22 -5.116 10.776 -7.249
153 HG22 THR 22 HG22 THR 22 -5.687 10.707 -5.582
154 HG23 THR 22 HG23 THR 22 -6.807 11.121 -6.883
155 H LEU 23 H LEU 23 -6.184 6.371 -5.599
156 HA LEU 23 HA LEU 23 -8.426 4.599 -6.440
157 HB2 LEU 23 HB2 LEU 23 -5.438 4.207 -6.945
158 HB3 LEU 23 HB3 LEU 23 -6.624 2.930 -7.130
159 HG LEU 23 HG LEU 23 -6.234 3.644 -9.306
160 HD11 LEU 23 HD11 LEU 23 -8.731 5.148 -8.518
161 HD12 LEU 23 HD12 LEU 23 -8.620 3.419 -8.857
162 HD13 LEU 23 HD13 LEU 23 -8.306 4.587 -10.138
163 HD21 LEU 23 HD21 LEU 23 -6.172 5.967 -10.102
164 HD22 LEU 23 HD22 LEU 23 -4.961 5.680 -8.855
165 HD23 LEU 23 HD23 LEU 23 -6.446 6.545 -8.455
166 H TRP 24 H TRP 24 -8.201 2.360 -5.625
167 HA TRP 24 HA TRP 24 -7.081 2.223 -2.866
168 HB2 TRP 24 HB2 TRP 24 -9.618 0.954 -4.017
169 HB3 TRP 24 HB3 TRP 24 -8.894 0.430 -2.496
170 HD1 TRP 24 HD1 TRP 24 -11.209 3.060 -3.888
171 HE1 TRP 24 HE1 TRP 24 -11.910 4.676 -2.011
172 HE3 TRP 24 HE3 TRP 24 -7.886 1.617 -0.287
173 HZ2 TRP 24 HZ2 TRP 24 -11.142 5.271 0.656
174 HZ3 TRP 24 HZ3 TRP 24 -7.920 2.765 1.884
175 HH2 TRP 24 HH2 TRP 24 -9.511 4.561 2.345
176 H ARG 25 H ARG 25 -5.184 1.215 -3.150
177 HA ARG 25 HA ARG 25 -4.893 -1.103 -4.931
178 HB2 ARG 25 HB2 ARG 25 -2.854 0.428 -3.255
179 HB3 ARG 25 HB3 ARG 25 -2.467 -0.933 -4.305
180 HG2 ARG 25 HG2 ARG 25 -3.313 0.394 -6.259
181 HG3 ARG 25 HG3 ARG 25 -3.541 1.769 -5.174
182 HD2 ARG 25 HD2 ARG 25 -1.121 1.784 -4.675
183 HD3 ARG 25 HD3 ARG 25 -0.886 0.387 -5.734
184 HE ARG 25 HE ARG 25 -2.071 2.784 -6.914
185 HH11 ARG 25 HH11 ARG 25 0.859 0.846 -6.528
186 HH12 ARG 25 HH12 ARG 25 1.674 1.603 -7.858
187 HH21 ARG 25 HH21 ARG 25 -0.987 3.784 -8.623
188 HH22 ARG 25 HH22 ARG 25 0.615 3.279 -9.057
189 H ARG 26 H ARG 26 -3.481 -2.924 -3.953
190 HA ARG 26 HA ARG 26 -4.467 -3.658 -1.249
191 HB2 ARG 26 HB2 ARG 26 -3.739 -5.336 -3.679
192 HB3 ARG 26 HB3 ARG 26 -3.670 -6.045 -2.073
193 HG2 ARG 26 HG2 ARG 26 -5.765 -6.624 -3.157
194 HG3 ARG 26 HG3 ARG 26 -6.074 -5.598 -1.758
195 HD2 ARG 26 HD2 ARG 26 -6.394 -3.652 -3.272
196 HD3 ARG 26 HD3 ARG 26 -6.080 -4.695 -4.662
197 HE ARG 26 HE ARG 26 -8.231 -5.416 -4.552
198 HH11 ARG 26 HH11 ARG 26 -7.461 -4.125 -1.354
199 HH12 ARG 26 HH12 ARG 26 -9.075 -4.338 -0.760
200 HH21 ARG 26 HH21 ARG 26 -10.330 -5.707 -3.728
201 HH22 ARG 26 HH22 ARG 26 -10.691 -5.232 -2.098
202 H ASN 27 H ASN 27 -2.984 -3.854 0.349
203 HA ASN 27 HA ASN 27 -0.138 -3.589 -0.164
204 HB2 ASN 27 HB2 ASN 27 0.101 -3.730 2.316
205 HB3 ASN 27 HB3 ASN 27 -1.064 -2.507 1.829
206 HD21 ASN 27 HD21 ASN 27 -1.948 -2.568 3.977
207 HD22 ASN 27 HD22 ASN 27 -2.965 -3.865 4.477
208 H ALA 28 H ALA 28 1.109 -5.327 1.540
209 HA ALA 28 HA ALA 28 1.292 -7.746 0.116
210 HB1 ALA 28 HB1 ALA 28 2.251 -7.132 2.926
211 HB2 ALA 28 HB2 ALA 28 3.135 -6.801 1.437
212 HB3 ALA 28 HB3 ALA 28 2.812 -8.469 1.916
213 H GLU 29 H GLU 29 -0.705 -6.843 2.810
214 HA GLU 29 HA GLU 29 -1.473 -9.547 3.569
215 HB2 GLU 29 HB2 GLU 29 -2.569 -6.878 4.546
216 HB3 GLU 29 HB3 GLU 29 -2.764 -8.442 5.328
217 HG2 GLU 29 HG2 GLU 29 -0.163 -6.909 5.015
218 HG3 GLU 29 HG3 GLU 29 -1.108 -7.058 6.491
219 H GLY 30 H GLY 30 -2.347 -7.440 1.116
220 HA2 GLY 30 HA2 GLY 30 -3.966 -7.632 -0.521
221 HA3 GLY 30 HA3 GLY 30 -4.742 -8.909 0.401
222 H GLU 31 H GLU 31 -4.114 -6.071 2.144
223 HA GLU 31 HA GLU 31 -6.945 -5.552 2.521
224 HB2 GLU 31 HB2 GLU 31 -4.467 -4.353 3.840
225 HB3 GLU 31 HB3 GLU 31 -6.118 -4.063 4.356
226 HG2 GLU 31 HG2 GLU 31 -4.719 -6.747 4.389
227 HG3 GLU 31 HG3 GLU 31 -4.957 -5.705 5.788
228 HA PRO 32 HA PRO 32 -7.100 -2.056 -0.260
229 HB2 PRO 32 HB2 PRO 32 -9.280 -0.693 0.661
230 HB3 PRO 32 HB3 PRO 32 -9.423 -2.294 -0.098
231 HG2 PRO 32 HG2 PRO 32 -9.400 -1.603 2.825
232 HG3 PRO 32 HG3 PRO 32 -10.471 -2.718 1.946
233 HD2 PRO 32 HD2 PRO 32 -8.301 -3.591 3.373
234 HD3 PRO 32 HD3 PRO 32 -8.898 -4.436 1.928
235 H VAL 33 H VAL 33 -5.111 -1.126 0.309
236 HA VAL 33 HA VAL 33 -5.086 1.156 2.166
237 HB VAL 33 HB VAL 33 -2.691 1.402 1.532
238 HG11 VAL 33 HG11 VAL 33 -3.307 -0.026 3.429
239 HG12 VAL 33 HG12 VAL 33 -1.865 -0.642 2.621
240 HG13 VAL 33 HG13 VAL 33 -3.426 -1.426 2.358
241 HG21 VAL 33 HG21 VAL 33 -2.769 0.589 -0.794
242 HG22 VAL 33 HG22 VAL 33 -3.123 -1.045 -0.234
243 HG23 VAL 33 HG23 VAL 33 -1.558 -0.309 0.126
244 H CYS 34 H CYS 34 -4.617 3.279 1.411
245 HA CYS 34 HA CYS 34 -5.859 4.135 -0.974
246 HB2 CYS 34 HB2 CYS 34 -4.919 6.363 -0.412
247 HB3 CYS 34 HB3 CYS 34 -5.642 5.595 0.996
248 H ASN 35 H ASN 35 -4.814 5.343 -2.730
249 HA ASN 35 HA ASN 35 -3.069 3.854 -4.254
250 HB2 ASN 35 HB2 ASN 35 -4.584 5.635 -5.123
251 HB3 ASN 35 HB3 ASN 35 -3.530 6.866 -4.427
252 HD21 ASN 35 HD21 ASN 35 -2.880 7.845 -6.281
253 HD22 ASN 35 HD22 ASN 35 -1.982 7.077 -7.545
254 H ALA 36 H ALA 36 -2.334 6.596 -2.123
255 HA ALA 36 HA ALA 36 0.380 6.986 -2.805
256 HB1 ALA 36 HB1 ALA 36 -1.031 7.655 -0.199
257 HB2 ALA 36 HB2 ALA 36 -0.991 8.669 -1.641
258 HB3 ALA 36 HB3 ALA 36 0.501 8.336 -0.764
259 H CYS 37 H CYS 37 -1.123 4.973 -0.267
260 HA CYS 37 HA CYS 37 1.329 4.205 1.021
261 HB2 CYS 37 HB2 CYS 37 -1.446 2.951 1.223
262 HB3 CYS 37 HB3 CYS 37 -0.087 2.603 2.304
263 H GLY 38 H GLY 38 -0.740 2.815 -1.473
264 HA2 GLY 38 HA2 GLY 38 0.587 0.259 -1.675
265 HA3 GLY 38 HA3 GLY 38 -0.587 0.930 -2.797
266 H LEU 39 H LEU 39 0.841 3.362 -3.346
267 HA LEU 39 HA LEU 39 2.653 2.713 -5.382
268 HB2 LEU 39 HB2 LEU 39 1.226 4.897 -4.779
269 HB3 LEU 39 HB3 LEU 39 2.678 5.398 -3.942
270 HG LEU 39 HG LEU 39 2.587 4.686 -6.888
271 HD11 LEU 39 HD11 LEU 39 2.413 7.456 -5.653
272 HD12 LEU 39 HD12 LEU 39 1.116 6.602 -6.492
273 HD13 LEU 39 HD13 LEU 39 2.554 7.099 -7.378
274 HD21 LEU 39 HD21 LEU 39 4.713 6.179 -5.306
275 HD22 LEU 39 HD22 LEU 39 4.726 5.917 -7.053
276 HD23 LEU 39 HD23 LEU 39 4.851 4.545 -5.957
277 H TYR 40 H TYR 40 3.091 3.831 -2.041
278 HA TYR 40 HA TYR 40 5.899 3.994 -1.957
279 HB2 TYR 40 HB2 TYR 40 4.143 4.910 -0.279
280 HB3 TYR 40 HB3 TYR 40 4.122 3.301 0.420
281 HD1 TYR 40 HD1 TYR 40 6.414 2.374 1.343
282 HD2 TYR 40 HD2 TYR 40 5.743 6.501 0.437
283 HE1 TYR 40 HE1 TYR 40 8.300 3.000 2.789
284 HE2 TYR 40 HE2 TYR 40 7.631 7.121 1.875
285 HH TYR 40 HH TYR 40 9.891 4.901 3.052
286 H MET 41 H MET 41 3.650 1.334 -1.175
287 HA MET 41 HA MET 41 5.612 -0.582 -0.402
288 HB2 MET 41 HB2 MET 41 3.368 -0.936 0.363
289 HB3 MET 41 HB3 MET 41 2.710 -0.851 -1.264
290 HG2 MET 41 HG2 MET 41 3.534 -3.011 -1.821
291 HG3 MET 41 HG3 MET 41 4.605 -3.054 -0.426
292 HE1 MET 41 HE1 MET 41 3.952 -3.767 1.923
293 HE2 MET 41 HE2 MET 41 2.292 -3.870 2.510
294 HE3 MET 41 HE3 MET 41 2.974 -2.305 2.067
295 H LYS 42 H LYS 42 4.237 0.336 -3.511
296 HA LYS 42 HA LYS 42 5.210 -1.927 -4.979
297 HB2 LYS 42 HB2 LYS 42 3.302 -0.342 -5.667
298 HB3 LYS 42 HB3 LYS 42 4.543 0.812 -6.141
299 HG2 LYS 42 HG2 LYS 42 3.742 -0.422 -8.088
300 HG3 LYS 42 HG3 LYS 42 5.432 -0.838 -7.778
301 HD2 LYS 42 HD2 LYS 42 4.700 -2.927 -6.647
302 HD3 LYS 42 HD3 LYS 42 3.014 -2.506 -6.955
303 HE2 LYS 42 HE2 LYS 42 3.420 -2.665 -9.381
304 HE3 LYS 42 HE3 LYS 42 5.113 -3.065 -9.073
305 HZ1 LYS 42 HZ1 LYS 42 2.755 -4.672 -8.243
306 HZ2 LYS 42 HZ2 LYS 42 4.363 -5.037 -7.856
307 HZ3 LYS 42 HZ3 LYS 42 3.849 -5.056 -9.466
308 H LEU 43 H LEU 43 6.547 1.138 -4.009
309 HA LEU 43 HA LEU 43 8.908 1.037 -5.661
310 HB2 LEU 43 HB2 LEU 43 8.140 2.722 -3.251
311 HB3 LEU 43 HB3 LEU 43 9.655 2.917 -4.107
312 HG LEU 43 HG LEU 43 6.902 3.387 -5.320
313 HD11 LEU 43 HD11 LEU 43 8.993 5.401 -4.418
314 HD12 LEU 43 HD12 LEU 43 7.455 5.072 -3.619
315 HD13 LEU 43 HD13 LEU 43 7.471 5.775 -5.233
316 HD21 LEU 43 HD21 LEU 43 8.135 4.355 -7.225
317 HD22 LEU 43 HD22 LEU 43 8.516 2.649 -7.007
318 HD23 LEU 43 HD23 LEU 43 9.666 3.882 -6.481
319 H HIS 44 H HIS 44 8.196 0.432 -2.187
320 HA HIS 44 HA HIS 44 11.062 -0.204 -1.725
321 HB2 HIS 44 HB2 HIS 44 9.028 0.930 0.253
322 HB3 HIS 44 HB3 HIS 44 10.746 0.682 0.555
323 HD1 HIS 44 HD1 HIS 44 12.341 2.149 -1.206
324 HD2 HIS 44 HD2 HIS 44 8.459 3.490 -0.582
325 HE1 HIS 44 HE1 HIS 44 12.310 4.533 -1.976
326 HE2 HIS 44 HE2 HIS 44 10.046 5.383 -1.330
327 H GLY 45 H GLY 45 8.064 -1.720 -1.835
328 HA2 GLY 45 HA2 GLY 45 7.590 -3.962 -1.369
329 HA3 GLY 45 HA3 GLY 45 9.029 -4.070 -0.364
330 H VAL 46 H VAL 46 8.599 -1.971 1.392
331 HA VAL 46 HA VAL 46 6.409 -2.928 3.089
332 HB VAL 46 HB VAL 46 7.444 -1.524 4.846
333 HG11 VAL 46 HG11 VAL 46 9.479 -3.257 3.391
334 HG12 VAL 46 HG12 VAL 46 8.284 -3.810 4.567
335 HG13 VAL 46 HG13 VAL 46 9.590 -2.742 5.078
336 HG21 VAL 46 HG21 VAL 46 9.573 -0.304 4.441
337 HG22 VAL 46 HG22 VAL 46 8.252 0.357 3.478
338 HG23 VAL 46 HG23 VAL 46 9.459 -0.681 2.718
339 HA PRO 47 HA PRO 47 3.787 0.569 2.070
340 HB2 PRO 47 HB2 PRO 47 2.120 0.734 4.183
341 HB3 PRO 47 HB3 PRO 47 2.158 -0.730 3.176
342 HG2 PRO 47 HG2 PRO 47 3.442 -0.257 5.849
343 HG3 PRO 47 HG3 PRO 47 2.560 -1.685 5.265
344 HD2 PRO 47 HD2 PRO 47 5.328 -1.479 5.282
345 HD3 PRO 47 HD3 PRO 47 4.418 -2.560 4.206
346 H ARG 48 H ARG 48 2.764 2.668 3.367
347 HA ARG 48 HA ARG 48 5.101 4.326 3.720
348 HB2 ARG 48 HB2 ARG 48 3.075 5.044 2.390
349 HB3 ARG 48 HB3 ARG 48 2.179 5.166 3.903
350 HG2 ARG 48 HG2 ARG 48 3.996 6.822 4.671
351 HG3 ARG 48 HG3 ARG 48 4.544 6.835 2.996
352 HD2 ARG 48 HD2 ARG 48 2.331 7.666 2.284
353 HD3 ARG 48 HD3 ARG 48 1.774 7.631 3.960
354 HE ARG 48 HE ARG 48 3.236 9.695 2.701
355 HH11 ARG 48 HH11 ARG 48 3.200 8.036 5.828
356 HH12 ARG 48 HH12 ARG 48 3.839 9.398 6.683
357 HH21 ARG 48 HH21 ARG 48 4.020 11.484 3.880
358 HH22 ARG 48 HH22 ARG 48 4.297 11.335 5.588
359 HA PRO 49 HA PRO 49 4.667 4.033 8.273
360 HB2 PRO 49 HB2 PRO 49 7.171 4.849 8.951
361 HB3 PRO 49 HB3 PRO 49 6.861 3.228 8.302
362 HG2 PRO 49 HG2 PRO 49 7.998 5.618 6.913
363 HG3 PRO 49 HG3 PRO 49 8.430 3.903 6.742
364 HD2 PRO 49 HD2 PRO 49 6.761 5.301 4.992
365 HD3 PRO 49 HD3 PRO 49 6.816 3.534 5.150
366 H LEU 50 H LEU 50 3.364 5.576 9.034
367 HA LEU 50 HA LEU 50 3.583 8.400 8.612
368 HB2 LEU 50 HB2 LEU 50 2.100 6.927 10.829
369 HB3 LEU 50 HB3 LEU 50 1.792 8.569 10.285
370 HG LEU 50 HG LEU 50 1.280 6.044 8.665
371 HD11 LEU 50 HD11 LEU 50 -0.279 6.240 10.516
372 HD12 LEU 50 HD12 LEU 50 -1.106 6.569 8.999
373 HD13 LEU 50 HD13 LEU 50 -0.664 7.902 10.065
374 HD21 LEU 50 HD21 LEU 50 1.868 7.887 7.183
375 HD22 LEU 50 HD22 LEU 50 0.689 8.941 7.968
376 HD23 LEU 50 HD23 LEU 50 0.148 7.533 7.051
377 H ALA 51 H ALA 51 4.125 6.285 11.362
378 HA ALA 51 HA ALA 51 6.455 7.462 12.419
379 HB1 ALA 51 HB1 ALA 51 5.521 8.435 14.521
380 HB2 ALA 51 HB2 ALA 51 3.882 8.172 13.913
381 HB3 ALA 51 HB3 ALA 51 4.951 9.314 13.100
382 H MET 52 H MET 52 3.396 5.922 13.234
383 HA MET 52 HA MET 52 4.328 4.138 15.233
384 HB2 MET 52 HB2 MET 52 1.811 3.998 13.507
385 HB3 MET 52 HB3 MET 52 2.077 3.109 15.002
386 HG2 MET 52 HG2 MET 52 2.069 5.164 16.291
387 HG3 MET 52 HG3 MET 52 1.991 6.133 14.816
388 HE1 MET 52 HE1 MET 52 -0.124 7.508 15.703
389 HE2 MET 52 HE2 MET 52 -0.038 6.612 17.221
390 HE3 MET 52 HE3 MET 52 -1.569 6.741 16.358
391 H ARG 53 H ARG 53 5.617 2.449 14.890
392 HA ARG 53 HA ARG 53 5.213 0.571 12.676
393 HB2 ARG 53 HB2 ARG 53 6.968 2.095 11.835
394 HB3 ARG 53 HB3 ARG 53 7.885 1.894 13.322
395 HG2 ARG 53 HG2 ARG 53 8.898 0.608 11.500
396 HG3 ARG 53 HG3 ARG 53 8.305 -0.477 12.759
397 HD2 ARG 53 HD2 ARG 53 6.329 -1.008 11.405
398 HD3 ARG 53 HD3 ARG 53 6.835 0.144 10.166
399 HE ARG 53 HE ARG 53 8.949 -1.463 10.214
400 HH11 ARG 53 HH11 ARG 53 5.544 -2.369 10.210
401 HH12 ARG 53 HH12 ARG 53 5.821 -3.865 9.377
402 HH21 ARG 53 HH21 ARG 53 9.301 -3.400 9.088
403 HH22 ARG 53 HH22 ARG 53 7.965 -4.450 8.734
404 H LYS 54 H LYS 54 7.071 1.412 15.572
405 HA LYS 54 HA LYS 54 7.660 0.364 17.461
406 HB2 LYS 54 HB2 LYS 54 5.309 -1.471 16.846
407 HB3 LYS 54 HB3 LYS 54 6.126 -1.365 18.403
408 HG2 LYS 54 HG2 LYS 54 5.401 0.977 18.644
409 HG3 LYS 54 HG3 LYS 54 4.618 0.913 17.062
410 HD2 LYS 54 HD2 LYS 54 2.956 0.660 18.860
411 HD3 LYS 54 HD3 LYS 54 3.056 -0.822 17.909
412 HE2 LYS 54 HE2 LYS 54 4.483 -1.835 19.671
413 HE3 LYS 54 HE3 LYS 54 4.360 -0.348 20.616
414 HZ1 LYS 54 HZ1 LYS 54 2.812 -2.073 21.354
415 HZ2 LYS 54 HZ2 LYS 54 2.065 -2.070 19.835
416 HZ3 LYS 54 HZ3 LYS 54 1.991 -0.691 20.811
417 H GLU 55 H GLU 55 9.572 -0.134 16.240
418 HA GLU 55 HA GLU 55 11.408 -1.371 16.025
419 HB2 GLU 55 HB2 GLU 55 10.715 -2.596 18.048
420 HB3 GLU 55 HB3 GLU 55 9.765 -3.707 17.070
421 HG2 GLU 55 HG2 GLU 55 11.887 -4.713 17.782
422 HG3 GLU 55 HG3 GLU 55 11.791 -4.580 16.027
423 H GLY 56 H GLY 56 12.439 -2.284 14.362
424 HA2 GLY 56 HA2 GLY 56 10.861 -2.977 11.999
425 HA3 GLY 56 HA3 GLY 56 12.561 -2.547 12.053
426 H ILE 57 H ILE 57 12.915 -4.639 14.332
427 HA ILE 57 HA ILE 57 13.520 -6.824 12.479
428 HB ILE 57 HB ILE 57 14.857 -7.848 14.274
429 HG12 ILE 57 HG12 ILE 57 14.027 -5.521 16.076
430 HG13 ILE 57 HG13 ILE 57 13.463 -7.175 16.259
431 HG21 ILE 57 HG21 ILE 57 15.900 -6.124 12.861
432 HG22 ILE 57 HG22 ILE 57 16.587 -6.088 14.484
433 HG23 ILE 57 HG23 ILE 57 15.406 -4.868 14.000
434 HD11 ILE 57 HD11 ILE 57 15.189 -6.683 17.871
435 HD12 ILE 57 HD12 ILE 57 16.305 -6.208 16.591
436 HD13 ILE 57 HD13 ILE 57 15.774 -7.887 16.723
437 H GLN 58 H GLN 58 11.038 -6.922 12.290
438 HA GLN 58 HA GLN 58 9.513 -8.302 14.282
439 HB2 GLN 58 HB2 GLN 58 8.509 -6.819 12.545
440 HB3 GLN 58 HB3 GLN 58 8.970 -7.969 11.295
441 HG2 GLN 58 HG2 GLN 58 7.488 -9.679 12.399
442 HG3 GLN 58 HG3 GLN 58 6.974 -8.436 13.540
443 HE21 GLN 58 HE21 GLN 58 4.817 -8.655 12.875
444 HE22 GLN 58 HE22 GLN 58 4.251 -8.055 11.358
445 H THR 59 H THR 59 8.884 -10.481 14.345
446 HA THR 59 HA THR 59 10.795 -12.416 13.591
447 HB THR 59 HB THR 59 9.331 -12.656 15.578
448 HG1 THR 59 HG1 THR 59 10.227 -14.563 14.911
449 HG21 THR 59 HG21 THR 59 6.999 -13.404 15.372
450 HG22 THR 59 HG22 THR 59 7.092 -13.281 13.615
451 HG23 THR 59 HG23 THR 59 7.206 -11.825 14.607
452 H ARG 60 H ARG 60 8.008 -11.173 11.891
453 HA ARG 60 HA ARG 60 7.920 -13.256 9.888
454 HB2 ARG 60 HB2 ARG 60 5.919 -11.870 10.451
455 HB3 ARG 60 HB3 ARG 60 6.738 -10.443 9.834
456 HG2 ARG 60 HG2 ARG 60 5.209 -11.159 8.141
457 HG3 ARG 60 HG3 ARG 60 6.823 -11.582 7.567
458 HD2 ARG 60 HD2 ARG 60 5.217 -13.384 7.122
459 HD3 ARG 60 HD3 ARG 60 6.457 -13.926 8.255
460 HE ARG 60 HE ARG 60 4.401 -13.014 9.832
461 HH11 ARG 60 HH11 ARG 60 4.584 -15.505 7.330
462 HH12 ARG 60 HH12 ARG 60 3.317 -16.453 8.041
463 HH21 ARG 60 HH21 ARG 60 2.784 -14.269 10.734
464 HH22 ARG 60 HH22 ARG 60 2.300 -15.751 9.967
465 H LYS 61 H LYS 61 10.036 -13.426 9.055
466 HA LYS 61 HA LYS 61 11.202 -11.146 7.639
467 HB2 LYS 61 HB2 LYS 61 12.473 -13.169 8.845
468 HB3 LYS 61 HB3 LYS 61 12.240 -13.983 7.307
469 HG2 LYS 61 HG2 LYS 61 13.704 -11.357 7.746
470 HG3 LYS 61 HG3 LYS 61 14.462 -12.919 7.484
471 HD2 LYS 61 HD2 LYS 61 12.683 -11.582 5.408
472 HD3 LYS 61 HD3 LYS 61 14.419 -11.305 5.500
473 HE2 LYS 61 HE2 LYS 61 13.975 -12.951 3.794
474 HE3 LYS 61 HE3 LYS 61 14.790 -13.746 5.137
475 HZ1 LYS 61 HZ1 LYS 61 12.993 -15.084 4.303
476 HZ2 LYS 61 HZ2 LYS 61 11.877 -13.840 4.554
477 HZ3 LYS 61 HZ3 LYS 61 12.638 -14.597 5.866
478 H ARG 62 H ARG 62 10.533 -10.640 5.669
479 HA ARG 62 HA ARG 62 8.484 -12.014 4.304
480 HB2 ARG 62 HB2 ARG 62 8.619 -9.629 4.204
481 HB3 ARG 62 HB3 ARG 62 10.261 -9.655 3.582
482 HG2 ARG 62 HG2 ARG 62 9.485 -10.425 1.414
483 HG3 ARG 62 HG3 ARG 62 7.843 -10.641 2.032
484 HD2 ARG 62 HD2 ARG 62 8.254 -8.527 0.656
485 HD3 ARG 62 HD3 ARG 62 7.491 -8.292 2.226
486 HE ARG 62 HE ARG 62 9.738 -7.610 3.063
487 HH11 ARG 62 HH11 ARG 62 9.067 -7.283 -0.384
488 HH12 ARG 62 HH12 ARG 62 10.243 -6.026 -0.608
489 HH21 ARG 62 HH21 ARG 62 11.259 -5.972 2.750
490 HH22 ARG 62 HH22 ARG 62 11.487 -5.283 1.175
491 H LYS 63 H LYS 63 9.167 -14.095 3.868
492 HA LYS 63 HA LYS 63 9.840 -15.832 2.618
493 HB2 LYS 63 HB2 LYS 63 9.411 -13.748 0.462
494 HB3 LYS 63 HB3 LYS 63 9.609 -15.460 0.118
495 HG2 LYS 63 HG2 LYS 63 7.361 -14.166 1.690
496 HG3 LYS 63 HG3 LYS 63 7.249 -14.918 0.098
497 HD2 LYS 63 HD2 LYS 63 7.825 -16.335 2.733
498 HD3 LYS 63 HD3 LYS 63 6.334 -16.423 1.802
499 HE2 LYS 63 HE2 LYS 63 7.457 -17.633 0.012
500 HE3 LYS 63 HE3 LYS 63 9.026 -17.408 0.791
501 HZ1 LYS 63 HZ1 LYS 63 6.754 -18.992 1.877
502 HZ2 LYS 63 HZ2 LYS 63 8.232 -18.745 2.660
503 HZ3 LYS 63 HZ3 LYS 63 8.180 -19.618 1.213
Start of MODEL 10
1 H1 SER 1 H1 SER 1 -14.911 24.371 12.262
2 H2 SER 1 H2 SER 1 -15.665 23.054 12.995
3 H3 SER 1 H3 SER 1 -16.308 24.601 13.182
4 HA SER 1 HA SER 1 -16.864 24.730 10.882
5 HB2 SER 1 HB2 SER 1 -15.709 21.911 10.679
6 HB3 SER 1 HB3 SER 1 -16.403 22.855 9.356
7 HG SER 1 HG SER 1 -14.519 23.739 9.111
8 H HIS 2 H HIS 2 -18.923 24.861 11.722
9 HA HIS 2 HA HIS 2 -20.229 22.555 12.928
10 HB2 HIS 2 HB2 HIS 2 -21.044 25.451 12.562
11 HB3 HIS 2 HB3 HIS 2 -22.231 24.242 13.040
12 HD2 HIS 2 HD2 HIS 2 -18.637 24.139 14.610
13 HE1 HIS 2 HE1 HIS 2 -21.418 25.397 17.539
14 HE2 HIS 2 HE2 HIS 2 -19.088 24.497 17.138
15 H MET 3 H MET 3 -19.930 21.313 10.981
16 HA MET 3 HA MET 3 -22.436 21.053 9.610
17 HB2 MET 3 HB2 MET 3 -21.514 20.965 7.321
18 HB3 MET 3 HB3 MET 3 -21.302 22.559 8.022
19 HG2 MET 3 HG2 MET 3 -18.924 22.061 8.438
20 HG3 MET 3 HG3 MET 3 -19.136 20.457 7.738
21 HE1 MET 3 HE1 MET 3 -19.675 20.052 5.096
22 HE2 MET 3 HE2 MET 3 -19.931 21.374 3.961
23 HE3 MET 3 HE3 MET 3 -21.104 21.084 5.242
24 H SER 4 H SER 4 -22.839 18.947 9.148
25 HA SER 4 HA SER 4 -20.728 16.926 9.252
26 HB2 SER 4 HB2 SER 4 -21.534 17.184 11.615
27 HB3 SER 4 HB3 SER 4 -23.172 16.805 11.083
28 HG SER 4 HG SER 4 -20.967 15.146 11.429
29 H ALA 5 H ALA 5 -21.135 15.299 7.829
30 HA ALA 5 HA ALA 5 -23.749 14.638 6.788
31 HB1 ALA 5 HB1 ALA 5 -21.753 16.027 4.948
32 HB2 ALA 5 HB2 ALA 5 -23.272 16.718 5.520
33 HB3 ALA 5 HB3 ALA 5 -23.294 15.312 4.455
34 H SER 6 H SER 6 -23.562 12.954 5.045
35 HA SER 6 HA SER 6 -21.434 11.046 5.499
36 HB2 SER 6 HB2 SER 6 -23.768 10.307 5.055
37 HB3 SER 6 HB3 SER 6 -23.695 11.038 3.452
38 HG SER 6 HG SER 6 -22.700 8.639 4.341
39 H ARG 7 H ARG 7 -19.492 11.672 4.737
40 HA ARG 7 HA ARG 7 -19.294 13.456 2.413
41 HB2 ARG 7 HB2 ARG 7 -18.183 13.545 4.968
42 HB3 ARG 7 HB3 ARG 7 -16.840 12.916 4.027
43 HG2 ARG 7 HG2 ARG 7 -16.947 14.881 2.543
44 HG3 ARG 7 HG3 ARG 7 -18.336 15.494 3.443
45 HD2 ARG 7 HD2 ARG 7 -16.924 15.634 5.484
46 HD3 ARG 7 HD3 ARG 7 -15.534 15.083 4.541
47 HE ARG 7 HE ARG 7 -16.735 17.403 3.385
48 HH11 ARG 7 HH11 ARG 7 -14.605 16.397 6.015
49 HH12 ARG 7 HH12 ARG 7 -13.789 17.929 6.097
50 HH21 ARG 7 HH21 ARG 7 -15.640 19.410 3.510
51 HH22 ARG 7 HH22 ARG 7 -14.377 19.628 4.681
52 H ARG 8 H ARG 8 -19.659 10.508 2.193
53 HA ARG 8 HA ARG 8 -19.076 8.772 0.907
54 HB2 ARG 8 HB2 ARG 8 -17.402 10.881 -0.505
55 HB3 ARG 8 HB3 ARG 8 -17.561 9.229 -1.100
56 HG2 ARG 8 HG2 ARG 8 -20.045 9.567 -1.212
57 HG3 ARG 8 HG3 ARG 8 -19.794 11.257 -0.771
58 HD2 ARG 8 HD2 ARG 8 -18.576 11.683 -2.816
59 HD3 ARG 8 HD3 ARG 8 -18.535 9.965 -3.223
60 HE ARG 8 HE ARG 8 -20.683 11.827 -3.684
61 HH11 ARG 8 HH11 ARG 8 -20.008 8.399 -3.179
62 HH12 ARG 8 HH12 ARG 8 -21.445 7.882 -4.001
63 HH21 ARG 8 HH21 ARG 8 -22.539 11.126 -4.773
64 HH22 ARG 8 HH22 ARG 8 -22.883 9.429 -4.910
65 H VAL 9 H VAL 9 -17.605 9.285 3.348
66 HA VAL 9 HA VAL 9 -14.991 8.083 2.986
67 HB VAL 9 HB VAL 9 -16.639 8.532 5.526
68 HG11 VAL 9 HG11 VAL 9 -14.523 8.237 6.769
69 HG12 VAL 9 HG12 VAL 9 -13.692 7.827 5.269
70 HG13 VAL 9 HG13 VAL 9 -14.961 6.771 5.889
71 HG21 VAL 9 HG21 VAL 9 -15.206 10.501 5.908
72 HG22 VAL 9 HG22 VAL 9 -16.092 10.652 4.389
73 HG23 VAL 9 HG23 VAL 9 -14.379 10.216 4.375
74 H GLY 10 H GLY 10 -15.626 6.279 1.728
75 HA2 GLY 10 HA2 GLY 10 -17.507 4.287 2.679
76 HA3 GLY 10 HA3 GLY 10 -16.552 4.233 1.204
77 H LEU 11 H LEU 11 -14.275 3.662 1.380
78 HA LEU 11 HA LEU 11 -13.780 1.629 3.432
79 HB2 LEU 11 HB2 LEU 11 -12.097 2.423 1.023
80 HB3 LEU 11 HB3 LEU 11 -11.805 1.036 2.056
81 HG LEU 11 HG LEU 11 -14.201 1.404 0.215
82 HD11 LEU 11 HD11 LEU 11 -13.210 -0.380 -1.139
83 HD12 LEU 11 HD12 LEU 11 -11.801 -0.427 -0.075
84 HD13 LEU 11 HD13 LEU 11 -12.137 1.017 -1.034
85 HD21 LEU 11 HD21 LEU 11 -14.831 0.101 2.173
86 HD22 LEU 11 HD22 LEU 11 -13.448 -0.971 1.945
87 HD23 LEU 11 HD23 LEU 11 -14.748 -0.938 0.750
88 H SER 12 H SER 12 -11.557 1.577 4.391
89 HA SER 12 HA SER 12 -10.350 4.249 4.850
90 HB2 SER 12 HB2 SER 12 -10.513 1.929 6.837
91 HB3 SER 12 HB3 SER 12 -9.667 3.449 7.109
92 HG SER 12 HG SER 12 -11.476 4.173 7.814
93 H CYS 13 H CYS 13 -8.199 4.364 4.383
94 HA CYS 13 HA CYS 13 -6.638 2.346 3.199
95 HB2 CYS 13 HB2 CYS 13 -6.059 4.737 3.040
96 HB3 CYS 13 HB3 CYS 13 -5.727 4.809 4.768
97 H ALA 14 H ALA 14 -5.952 0.482 4.117
98 HA ALA 14 HA ALA 14 -6.056 0.073 6.998
99 HB1 ALA 14 HB1 ALA 14 -5.596 -2.271 6.432
100 HB2 ALA 14 HB2 ALA 14 -5.249 -1.817 4.764
101 HB3 ALA 14 HB3 ALA 14 -6.879 -1.614 5.404
102 H ASN 15 H ASN 15 -4.264 1.935 6.777
103 HA ASN 15 HA ASN 15 -1.956 0.975 8.025
104 HB2 ASN 15 HB2 ASN 15 -1.244 0.459 5.658
105 HB3 ASN 15 HB3 ASN 15 -1.451 2.158 5.236
106 HD21 ASN 15 HD21 ASN 15 0.081 3.664 6.010
107 HD22 ASN 15 HD22 ASN 15 1.585 3.177 6.693
108 H CYS 16 H CYS 16 -2.427 3.786 5.827
109 HA CYS 16 HA CYS 16 -1.660 5.635 7.943
110 HB2 CYS 16 HB2 CYS 16 -1.701 7.364 6.185
111 HB3 CYS 16 HB3 CYS 16 -0.800 5.950 5.643
112 H GLN 17 H GLN 17 -4.612 4.481 6.532
113 HA GLN 17 HA GLN 17 -6.798 4.728 7.026
114 HB2 GLN 17 HB2 GLN 17 -5.663 5.938 9.582
115 HB3 GLN 17 HB3 GLN 17 -7.330 5.403 9.390
116 HG2 GLN 17 HG2 GLN 17 -6.659 3.102 9.155
117 HG3 GLN 17 HG3 GLN 17 -4.962 3.547 9.005
118 HE21 GLN 17 HE21 GLN 17 -3.785 4.047 10.847
119 HE22 GLN 17 HE22 GLN 17 -4.359 3.707 12.440
120 H THR 18 H THR 18 -5.511 6.831 5.507
121 HA THR 18 HA THR 18 -6.437 9.404 6.199
122 HB THR 18 HB THR 18 -4.574 9.077 4.601
123 HG1 THR 18 HG1 THR 18 -6.766 10.696 4.062
124 HG21 THR 18 HG21 THR 18 -5.430 7.126 3.340
125 HG22 THR 18 HG22 THR 18 -4.979 8.443 2.259
126 HG23 THR 18 HG23 THR 18 -6.684 8.144 2.610
127 H THR 19 H THR 19 -7.932 6.762 4.572
128 HA THR 19 HA THR 19 -9.936 6.233 3.785
129 HB THR 19 HB THR 19 -11.977 7.190 4.678
130 HG1 THR 19 HG1 THR 19 -11.714 9.366 4.684
131 HG21 THR 19 HG21 THR 19 -10.723 5.732 6.216
132 HG22 THR 19 HG22 THR 19 -11.585 6.991 7.099
133 HG23 THR 19 HG23 THR 19 -9.848 7.141 6.839
134 H THR 20 H THR 20 -10.051 9.807 3.652
135 HA THR 20 HA THR 20 -11.512 9.939 1.232
136 HB THR 20 HB THR 20 -9.882 12.135 2.581
137 HG1 THR 20 HG1 THR 20 -11.499 12.346 3.993
138 HG21 THR 20 HG21 THR 20 -12.356 12.321 0.813
139 HG22 THR 20 HG22 THR 20 -10.724 12.801 0.347
140 HG23 THR 20 HG23 THR 20 -11.566 13.677 1.625
141 H THR 21 H THR 21 -10.299 8.639 -0.237
142 HA THR 21 HA THR 21 -8.171 10.088 -1.673
143 HB THR 21 HB THR 21 -7.059 8.282 -0.320
144 HG1 THR 21 HG1 THR 21 -5.923 8.643 -2.136
145 HG21 THR 21 HG21 THR 21 -7.417 5.915 -0.866
146 HG22 THR 21 HG22 THR 21 -8.698 6.354 -1.998
147 HG23 THR 21 HG23 THR 21 -8.911 6.637 -0.268
148 H THR 22 H THR 22 -7.963 9.286 -3.945
149 HA THR 22 HA THR 22 -10.579 8.954 -5.160
150 HB THR 22 HB THR 22 -7.847 9.173 -6.509
151 HG1 THR 22 HG1 THR 22 -7.972 11.240 -6.173
152 HG21 THR 22 HG21 THR 22 -9.573 8.289 -8.050
153 HG22 THR 22 HG22 THR 22 -9.117 9.932 -8.500
154 HG23 THR 22 HG23 THR 22 -10.637 9.644 -7.652
155 H LEU 23 H LEU 23 -7.518 7.120 -4.957
156 HA LEU 23 HA LEU 23 -8.821 4.805 -6.288
157 HB2 LEU 23 HB2 LEU 23 -7.229 5.991 -7.794
158 HB3 LEU 23 HB3 LEU 23 -5.942 5.755 -6.624
159 HG LEU 23 HG LEU 23 -6.088 3.283 -6.970
160 HD11 LEU 23 HD11 LEU 23 -7.411 2.361 -8.829
161 HD12 LEU 23 HD12 LEU 23 -8.155 3.940 -9.089
162 HD13 LEU 23 HD13 LEU 23 -8.436 3.067 -7.580
163 HD21 LEU 23 HD21 LEU 23 -4.470 4.572 -8.269
164 HD22 LEU 23 HD22 LEU 23 -5.676 4.878 -9.521
165 HD23 LEU 23 HD23 LEU 23 -5.101 3.235 -9.231
166 H TRP 24 H TRP 24 -8.430 2.814 -5.467
167 HA TRP 24 HA TRP 24 -7.009 2.599 -2.885
168 HB2 TRP 24 HB2 TRP 24 -9.346 0.993 -4.018
169 HB3 TRP 24 HB3 TRP 24 -8.515 0.590 -2.515
170 HD1 TRP 24 HD1 TRP 24 -11.351 2.704 -3.779
171 HE1 TRP 24 HE1 TRP 24 -12.223 4.228 -1.889
172 HE3 TRP 24 HE3 TRP 24 -7.579 2.052 -0.398
173 HZ2 TRP 24 HZ2 TRP 24 -11.412 5.049 0.694
174 HZ3 TRP 24 HZ3 TRP 24 -7.696 3.246 1.745
175 HH2 TRP 24 HH2 TRP 24 -9.572 4.715 2.284
176 H ARG 25 H ARG 25 -6.060 0.498 -2.434
177 HA ARG 25 HA ARG 25 -4.881 -0.976 -4.698
178 HB2 ARG 25 HB2 ARG 25 -3.280 0.360 -2.454
179 HB3 ARG 25 HB3 ARG 25 -2.607 -0.770 -3.619
180 HG2 ARG 25 HG2 ARG 25 -3.749 1.957 -4.298
181 HG3 ARG 25 HG3 ARG 25 -2.036 1.591 -4.098
182 HD2 ARG 25 HD2 ARG 25 -2.220 -0.038 -6.000
183 HD3 ARG 25 HD3 ARG 25 -3.893 0.486 -6.231
184 HE ARG 25 HE ARG 25 -2.034 2.675 -6.270
185 HH11 ARG 25 HH11 ARG 25 -3.430 0.149 -8.297
186 HH12 ARG 25 HH12 ARG 25 -3.121 1.004 -9.773
187 HH21 ARG 25 HH21 ARG 25 -1.632 3.774 -8.201
188 HH22 ARG 25 HH22 ARG 25 -2.099 3.067 -9.715
189 H ARG 26 H ARG 26 -3.659 -2.915 -3.815
190 HA ARG 26 HA ARG 26 -4.773 -3.928 -1.246
191 HB2 ARG 26 HB2 ARG 26 -3.719 -5.751 -3.455
192 HB3 ARG 26 HB3 ARG 26 -4.808 -6.143 -2.136
193 HG2 ARG 26 HG2 ARG 26 -5.528 -4.497 -4.582
194 HG3 ARG 26 HG3 ARG 26 -5.924 -6.196 -4.339
195 HD2 ARG 26 HD2 ARG 26 -6.952 -3.862 -2.691
196 HD3 ARG 26 HD3 ARG 26 -7.864 -4.757 -3.903
197 HE ARG 26 HE ARG 26 -7.460 -5.464 -1.170
198 HH11 ARG 26 HH11 ARG 26 -7.933 -6.965 -4.335
199 HH12 ARG 26 HH12 ARG 26 -8.571 -8.431 -3.662
200 HH21 ARG 26 HH21 ARG 26 -8.316 -7.392 -0.334
201 HH22 ARG 26 HH22 ARG 26 -8.790 -8.667 -1.414
202 H ASN 27 H ASN 27 -3.177 -4.035 0.332
203 HA ASN 27 HA ASN 27 -0.371 -3.758 -0.399
204 HB2 ASN 27 HB2 ASN 27 0.087 -3.515 1.974
205 HB3 ASN 27 HB3 ASN 27 -1.333 -2.558 1.578
206 HD21 ASN 27 HD21 ASN 27 -3.325 -3.161 2.438
207 HD22 ASN 27 HD22 ASN 27 -3.449 -4.293 3.734
208 H ALA 28 H ALA 28 0.955 -5.291 1.556
209 HA ALA 28 HA ALA 28 1.452 -7.698 0.252
210 HB1 ALA 28 HB1 ALA 28 2.814 -8.308 2.210
211 HB2 ALA 28 HB2 ALA 28 2.025 -7.048 3.165
212 HB3 ALA 28 HB3 ALA 28 3.044 -6.607 1.795
213 H GLU 29 H GLU 29 -0.660 -7.115 3.056
214 HA GLU 29 HA GLU 29 -1.581 -9.822 3.336
215 HB2 GLU 29 HB2 GLU 29 -2.662 -7.139 4.301
216 HB3 GLU 29 HB3 GLU 29 -3.487 -8.653 4.649
217 HG2 GLU 29 HG2 GLU 29 -0.618 -8.099 5.448
218 HG3 GLU 29 HG3 GLU 29 -2.000 -7.774 6.491
219 H GLY 30 H GLY 30 -2.811 -6.915 1.735
220 HA2 GLY 30 HA2 GLY 30 -4.011 -7.115 -0.386
221 HA3 GLY 30 HA3 GLY 30 -4.853 -8.511 0.271
222 H GLU 31 H GLU 31 -4.459 -6.133 2.631
223 HA GLU 31 HA GLU 31 -7.248 -5.437 2.682
224 HB2 GLU 31 HB2 GLU 31 -4.864 -4.408 4.292
225 HB3 GLU 31 HB3 GLU 31 -6.533 -3.955 4.608
226 HG2 GLU 31 HG2 GLU 31 -5.413 -6.764 4.770
227 HG3 GLU 31 HG3 GLU 31 -5.756 -5.712 6.144
228 HA PRO 32 HA PRO 32 -7.209 -1.959 -0.064
229 HB2 PRO 32 HB2 PRO 32 -9.326 -0.453 0.832
230 HB3 PRO 32 HB3 PRO 32 -9.540 -2.031 0.044
231 HG2 PRO 32 HG2 PRO 32 -9.555 -1.377 2.974
232 HG3 PRO 32 HG3 PRO 32 -10.657 -2.426 2.051
233 HD2 PRO 32 HD2 PRO 32 -8.603 -3.435 3.528
234 HD3 PRO 32 HD3 PRO 32 -9.168 -4.212 2.034
235 H VAL 33 H VAL 33 -5.220 -1.024 0.391
236 HA VAL 33 HA VAL 33 -5.119 1.277 2.243
237 HB VAL 33 HB VAL 33 -2.669 1.366 1.694
238 HG11 VAL 33 HG11 VAL 33 -2.017 -0.640 2.973
239 HG12 VAL 33 HG12 VAL 33 -3.614 -1.343 2.703
240 HG13 VAL 33 HG13 VAL 33 -3.447 0.124 3.672
241 HG21 VAL 33 HG21 VAL 33 -2.703 0.380 -0.560
242 HG22 VAL 33 HG22 VAL 33 -3.189 -1.181 0.104
243 HG23 VAL 33 HG23 VAL 33 -1.594 -0.518 0.480
244 H CYS 34 H CYS 34 -4.574 3.370 1.440
245 HA CYS 34 HA CYS 34 -5.780 4.143 -0.988
246 HB2 CYS 34 HB2 CYS 34 -4.785 6.403 -0.506
247 HB3 CYS 34 HB3 CYS 34 -5.625 5.702 0.874
248 H ASN 35 H ASN 35 -4.727 5.355 -2.748
249 HA ASN 35 HA ASN 35 -2.941 3.850 -4.227
250 HB2 ASN 35 HB2 ASN 35 -4.435 5.592 -5.186
251 HB3 ASN 35 HB3 ASN 35 -3.439 6.853 -4.457
252 HD21 ASN 35 HD21 ASN 35 -2.927 7.791 -6.436
253 HD22 ASN 35 HD22 ASN 35 -1.876 7.053 -7.590
254 H ALA 36 H ALA 36 -2.228 6.620 -2.120
255 HA ALA 36 HA ALA 36 0.497 6.994 -2.772
256 HB1 ALA 36 HB1 ALA 36 -0.956 7.686 -0.196
257 HB2 ALA 36 HB2 ALA 36 -0.875 8.696 -1.639
258 HB3 ALA 36 HB3 ALA 36 0.594 8.355 -0.725
259 H CYS 37 H CYS 37 -1.065 4.764 -0.537
260 HA CYS 37 HA CYS 37 1.373 4.021 0.885
261 HB2 CYS 37 HB2 CYS 37 -1.454 2.879 1.073
262 HB3 CYS 37 HB3 CYS 37 -0.105 2.395 2.097
263 H GLY 38 H GLY 38 -0.759 2.636 -1.585
264 HA2 GLY 38 HA2 GLY 38 0.486 0.055 -1.739
265 HA3 GLY 38 HA3 GLY 38 -0.626 0.755 -2.898
266 H LEU 39 H LEU 39 0.783 3.037 -3.625
267 HA LEU 39 HA LEU 39 2.687 2.217 -5.525
268 HB2 LEU 39 HB2 LEU 39 1.214 4.497 -5.103
269 HB3 LEU 39 HB3 LEU 39 2.771 5.066 -4.543
270 HG LEU 39 HG LEU 39 2.188 3.952 -7.311
271 HD11 LEU 39 HD11 LEU 39 1.096 6.108 -6.997
272 HD12 LEU 39 HD12 LEU 39 2.449 6.272 -8.113
273 HD13 LEU 39 HD13 LEU 39 2.609 6.832 -6.445
274 HD21 LEU 39 HD21 LEU 39 4.740 5.225 -6.264
275 HD22 LEU 39 HD22 LEU 39 4.427 4.793 -7.947
276 HD23 LEU 39 HD23 LEU 39 4.521 3.534 -6.719
277 H TYR 40 H TYR 40 2.958 3.387 -2.206
278 HA TYR 40 HA TYR 40 5.757 3.801 -2.096
279 HB2 TYR 40 HB2 TYR 40 3.886 4.563 -0.437
280 HB3 TYR 40 HB3 TYR 40 4.068 2.979 0.296
281 HD1 TYR 40 HD1 TYR 40 6.309 2.362 1.369
282 HD2 TYR 40 HD2 TYR 40 5.459 6.318 -0.006
283 HE1 TYR 40 HE1 TYR 40 8.163 3.236 2.729
284 HE2 TYR 40 HE2 TYR 40 7.311 7.188 1.348
285 HH TYR 40 HH TYR 40 8.643 6.609 3.253
286 H MET 41 H MET 41 3.719 0.945 -1.549
287 HA MET 41 HA MET 41 5.841 -0.803 -0.691
288 HB2 MET 41 HB2 MET 41 3.115 -1.572 -1.825
289 HB3 MET 41 HB3 MET 41 4.200 -2.619 -0.919
290 HG2 MET 41 HG2 MET 41 3.913 -0.885 0.997
291 HG3 MET 41 HG3 MET 41 2.516 -0.337 0.075
292 HE1 MET 41 HE1 MET 41 4.094 -3.136 2.261
293 HE2 MET 41 HE2 MET 41 4.011 -3.997 0.719
294 HE3 MET 41 HE3 MET 41 2.967 -4.480 2.055
295 H LYS 42 H LYS 42 4.486 0.151 -3.771
296 HA LYS 42 HA LYS 42 5.709 -1.873 -5.386
297 HB2 LYS 42 HB2 LYS 42 3.720 -0.482 -6.077
298 HB3 LYS 42 HB3 LYS 42 4.771 0.923 -6.188
299 HG2 LYS 42 HG2 LYS 42 4.323 -0.007 -8.407
300 HG3 LYS 42 HG3 LYS 42 6.037 -0.152 -8.011
301 HD2 LYS 42 HD2 LYS 42 5.261 -2.201 -9.087
302 HD3 LYS 42 HD3 LYS 42 5.677 -2.542 -7.408
303 HE2 LYS 42 HE2 LYS 42 3.221 -2.382 -6.843
304 HE3 LYS 42 HE3 LYS 42 2.882 -2.209 -8.568
305 HZ1 LYS 42 HZ1 LYS 42 4.169 -4.548 -7.258
306 HZ2 LYS 42 HZ2 LYS 42 3.939 -4.378 -8.922
307 HZ3 LYS 42 HZ3 LYS 42 2.605 -4.487 -7.895
308 H LEU 43 H LEU 43 6.739 1.191 -4.065
309 HA LEU 43 HA LEU 43 9.157 1.452 -5.637
310 HB2 LEU 43 HB2 LEU 43 8.032 2.947 -3.244
311 HB3 LEU 43 HB3 LEU 43 9.583 3.353 -3.952
312 HG LEU 43 HG LEU 43 6.979 3.437 -5.525
313 HD11 LEU 43 HD11 LEU 43 8.373 5.744 -4.124
314 HD12 LEU 43 HD12 LEU 43 6.817 5.036 -3.682
315 HD13 LEU 43 HD13 LEU 43 6.994 5.875 -5.220
316 HD21 LEU 43 HD21 LEU 43 8.287 4.825 -7.096
317 HD22 LEU 43 HD22 LEU 43 8.969 3.211 -6.918
318 HD23 LEU 43 HD23 LEU 43 9.731 4.583 -6.106
319 H HIS 44 H HIS 44 8.346 0.496 -2.274
320 HA HIS 44 HA HIS 44 11.237 0.078 -1.696
321 HB2 HIS 44 HB2 HIS 44 9.069 1.091 0.197
322 HB3 HIS 44 HB3 HIS 44 10.753 0.813 0.635
323 HD1 HIS 44 HD1 HIS 44 12.509 2.302 -0.926
324 HD2 HIS 44 HD2 HIS 44 8.599 3.689 -0.573
325 HE1 HIS 44 HE1 HIS 44 12.569 4.706 -1.653
326 HE2 HIS 44 HE2 HIS 44 10.251 5.566 -1.207
327 H GLY 45 H GLY 45 8.057 -1.325 -1.518
328 HA2 GLY 45 HA2 GLY 45 7.664 -3.642 -1.242
329 HA3 GLY 45 HA3 GLY 45 9.153 -3.799 -0.320
330 H VAL 46 H VAL 46 8.552 -1.439 1.335
331 HA VAL 46 HA VAL 46 6.670 -2.645 3.243
332 HB VAL 46 HB VAL 46 7.581 -1.036 4.881
333 HG11 VAL 46 HG11 VAL 46 9.759 -2.569 3.414
334 HG12 VAL 46 HG12 VAL 46 8.686 -3.207 4.663
335 HG13 VAL 46 HG13 VAL 46 9.867 -1.962 5.069
336 HG21 VAL 46 HG21 VAL 46 9.386 -0.044 2.633
337 HG22 VAL 46 HG22 VAL 46 9.520 0.419 4.332
338 HG23 VAL 46 HG23 VAL 46 8.086 0.868 3.408
339 HA PRO 47 HA PRO 47 3.514 0.532 2.515
340 HB2 PRO 47 HB2 PRO 47 2.841 0.501 5.421
341 HB3 PRO 47 HB3 PRO 47 1.852 -0.002 4.034
342 HG2 PRO 47 HG2 PRO 47 2.849 -1.798 5.759
343 HG3 PRO 47 HG3 PRO 47 2.704 -2.162 4.022
344 HD2 PRO 47 HD2 PRO 47 5.155 -1.299 5.569
345 HD3 PRO 47 HD3 PRO 47 4.989 -2.596 4.361
346 H ARG 48 H ARG 48 2.711 2.661 3.530
347 HA ARG 48 HA ARG 48 4.984 4.420 3.663
348 HB2 ARG 48 HB2 ARG 48 2.740 4.780 2.403
349 HB3 ARG 48 HB3 ARG 48 2.067 5.242 3.961
350 HG2 ARG 48 HG2 ARG 48 3.632 7.108 4.121
351 HG3 ARG 48 HG3 ARG 48 4.436 6.599 2.636
352 HD2 ARG 48 HD2 ARG 48 2.146 6.909 1.486
353 HD3 ARG 48 HD3 ARG 48 1.657 7.749 2.961
354 HE ARG 48 HE ARG 48 3.370 9.404 2.528
355 HH11 ARG 48 HH11 ARG 48 2.715 7.247 -0.190
356 HH12 ARG 48 HH12 ARG 48 3.327 8.357 -1.372
357 HH21 ARG 48 HH21 ARG 48 4.119 10.871 0.940
358 HH22 ARG 48 HH22 ARG 48 4.120 10.404 -0.730
359 HA PRO 49 HA PRO 49 5.100 3.618 8.081
360 HB2 PRO 49 HB2 PRO 49 7.332 5.064 8.769
361 HB3 PRO 49 HB3 PRO 49 7.420 3.567 7.818
362 HG2 PRO 49 HG2 PRO 49 7.462 6.409 6.849
363 HG3 PRO 49 HG3 PRO 49 8.522 5.055 6.391
364 HD2 PRO 49 HD2 PRO 49 6.430 5.800 4.843
365 HD3 PRO 49 HD3 PRO 49 6.925 4.099 4.985
366 H LEU 50 H LEU 50 4.061 4.420 9.781
367 HA LEU 50 HA LEU 50 3.447 7.302 9.998
368 HB2 LEU 50 HB2 LEU 50 2.262 4.977 11.583
369 HB3 LEU 50 HB3 LEU 50 1.692 6.640 11.574
370 HG LEU 50 HG LEU 50 1.543 4.678 9.256
371 HD11 LEU 50 HD11 LEU 50 -0.891 4.822 9.578
372 HD12 LEU 50 HD12 LEU 50 -0.650 5.844 10.998
373 HD13 LEU 50 HD13 LEU 50 -0.070 4.176 10.997
374 HD21 LEU 50 HD21 LEU 50 1.928 6.935 8.386
375 HD22 LEU 50 HD22 LEU 50 0.581 7.559 9.339
376 HD23 LEU 50 HD23 LEU 50 0.285 6.404 8.038
377 H ALA 51 H ALA 51 4.503 4.543 12.002
378 HA ALA 51 HA ALA 51 6.387 6.132 13.527
379 HB1 ALA 51 HB1 ALA 51 5.303 5.757 15.727
380 HB2 ALA 51 HB2 ALA 51 3.918 5.008 14.927
381 HB3 ALA 51 HB3 ALA 51 4.268 6.717 14.668
382 H MET 52 H MET 52 7.007 4.579 15.575
383 HA MET 52 HA MET 52 7.011 1.741 14.812
384 HB2 MET 52 HB2 MET 52 9.181 2.759 14.021
385 HB3 MET 52 HB3 MET 52 9.550 3.210 15.680
386 HG2 MET 52 HG2 MET 52 9.615 0.844 16.329
387 HG3 MET 52 HG3 MET 52 9.165 0.366 14.691
388 HE1 MET 52 HE1 MET 52 11.291 -1.299 14.634
389 HE2 MET 52 HE2 MET 52 11.696 -0.795 16.276
390 HE3 MET 52 HE3 MET 52 12.929 -0.772 15.013
391 H ARG 53 H ARG 53 5.260 2.235 16.405
392 HA ARG 53 HA ARG 53 6.106 1.310 19.061
393 HB2 ARG 53 HB2 ARG 53 4.350 3.763 18.592
394 HB3 ARG 53 HB3 ARG 53 4.269 2.843 20.088
395 HG2 ARG 53 HG2 ARG 53 6.631 3.372 20.556
396 HG3 ARG 53 HG3 ARG 53 6.725 4.293 19.051
397 HD2 ARG 53 HD2 ARG 53 6.394 5.762 21.025
398 HD3 ARG 53 HD3 ARG 53 5.052 5.881 19.881
399 HE ARG 53 HE ARG 53 4.550 3.943 21.929
400 HH11 ARG 53 HH11 ARG 53 4.483 7.423 21.366
401 HH12 ARG 53 HH12 ARG 53 3.285 7.714 22.588
402 HH21 ARG 53 HH21 ARG 53 2.948 4.340 23.487
403 HH22 ARG 53 HH22 ARG 53 2.418 5.965 23.786
404 H LYS 54 H LYS 54 3.789 1.528 16.454
405 HA LYS 54 HA LYS 54 1.769 -0.051 17.940
406 HB2 LYS 54 HB2 LYS 54 1.353 2.466 18.070
407 HB3 LYS 54 HB3 LYS 54 1.177 2.478 16.320
408 HG2 LYS 54 HG2 LYS 54 -0.766 0.896 16.563
409 HG3 LYS 54 HG3 LYS 54 -0.617 1.046 18.318
410 HD2 LYS 54 HD2 LYS 54 -1.045 3.489 18.139
411 HD3 LYS 54 HD3 LYS 54 -1.184 3.336 16.384
412 HE2 LYS 54 HE2 LYS 54 -3.138 1.823 16.704
413 HE3 LYS 54 HE3 LYS 54 -3.016 2.066 18.449
414 HZ1 LYS 54 HZ1 LYS 54 -3.448 4.405 18.133
415 HZ2 LYS 54 HZ2 LYS 54 -4.682 3.506 17.411
416 HZ3 LYS 54 HZ3 LYS 54 -3.484 4.217 16.459
417 H GLU 55 H GLU 55 3.541 -1.116 16.085
418 HA GLU 55 HA GLU 55 2.284 -1.436 13.512
419 HB2 GLU 55 HB2 GLU 55 4.414 -3.165 14.875
420 HB3 GLU 55 HB3 GLU 55 3.849 -3.394 13.225
421 HG2 GLU 55 HG2 GLU 55 5.890 -2.236 13.001
422 HG3 GLU 55 HG3 GLU 55 4.645 -1.016 12.749
423 H GLY 56 H GLY 56 0.201 -2.060 13.702
424 HA2 GLY 56 HA2 GLY 56 -0.984 -3.752 15.589
425 HA3 GLY 56 HA3 GLY 56 -1.662 -3.370 14.016
426 H ILE 57 H ILE 57 0.476 -4.526 12.491
427 HA ILE 57 HA ILE 57 0.933 -7.249 13.325
428 HB ILE 57 HB ILE 57 -1.289 -7.490 12.259
429 HG12 ILE 57 HG12 ILE 57 -0.698 -9.260 10.541
430 HG13 ILE 57 HG13 ILE 57 0.978 -8.727 10.627
431 HG21 ILE 57 HG21 ILE 57 -1.692 -7.058 9.875
432 HG22 ILE 57 HG22 ILE 57 -0.064 -6.395 9.711
433 HG23 ILE 57 HG23 ILE 57 -1.250 -5.574 10.727
434 HD11 ILE 57 HD11 ILE 57 -0.610 -9.869 12.934
435 HD12 ILE 57 HD12 ILE 57 1.095 -9.408 12.971
436 HD13 ILE 57 HD13 ILE 57 0.561 -10.746 11.955
437 H GLN 58 H GLN 58 2.928 -7.815 12.674
438 HA GLN 58 HA GLN 58 4.581 -5.970 11.198
439 HB2 GLN 58 HB2 GLN 58 5.169 -8.718 12.385
440 HB3 GLN 58 HB3 GLN 58 6.379 -7.747 11.554
441 HG2 GLN 58 HG2 GLN 58 6.700 -7.453 13.915
442 HG3 GLN 58 HG3 GLN 58 6.051 -5.948 13.270
443 HE21 GLN 58 HE21 GLN 58 5.329 -5.296 15.321
444 HE22 GLN 58 HE22 GLN 58 3.970 -6.025 16.100
445 H THR 59 H THR 59 2.989 -9.023 10.536
446 HA THR 59 HA THR 59 2.328 -10.040 8.668
447 HB THR 59 HB THR 59 3.091 -7.454 7.265
448 HG1 THR 59 HG1 THR 59 1.471 -7.074 8.725
449 HG21 THR 59 HG21 THR 59 1.347 -9.745 6.254
450 HG22 THR 59 HG22 THR 59 2.905 -9.257 5.584
451 HG23 THR 59 HG23 THR 59 1.521 -8.172 5.469
452 H ARG 60 H ARG 60 4.157 -11.494 9.122
453 HA ARG 60 HA ARG 60 6.164 -11.606 7.005
454 HB2 ARG 60 HB2 ARG 60 6.758 -12.560 9.204
455 HB3 ARG 60 HB3 ARG 60 5.406 -13.689 9.100
456 HG2 ARG 60 HG2 ARG 60 6.425 -14.781 7.154
457 HG3 ARG 60 HG3 ARG 60 7.746 -13.613 7.162
458 HD2 ARG 60 HD2 ARG 60 8.514 -14.470 9.322
459 HD3 ARG 60 HD3 ARG 60 7.152 -15.598 9.376
460 HE ARG 60 HE ARG 60 8.472 -16.089 6.991
461 HH11 ARG 60 HH11 ARG 60 9.325 -16.333 10.408
462 HH12 ARG 60 HH12 ARG 60 10.454 -17.628 10.139
463 HH21 ARG 60 HH21 ARG 60 9.924 -17.801 6.685
464 HH22 ARG 60 HH22 ARG 60 10.786 -18.446 8.045
465 H LYS 61 H LYS 61 5.340 -11.936 5.020
466 HA LYS 61 HA LYS 61 2.982 -13.327 4.341
467 HB2 LYS 61 HB2 LYS 61 5.456 -12.768 2.650
468 HB3 LYS 61 HB3 LYS 61 3.942 -13.407 2.015
469 HG2 LYS 61 HG2 LYS 61 2.813 -11.285 2.884
470 HG3 LYS 61 HG3 LYS 61 4.435 -10.661 3.206
471 HD2 LYS 61 HD2 LYS 61 3.596 -9.840 1.044
472 HD3 LYS 61 HD3 LYS 61 5.004 -10.881 0.809
473 HE2 LYS 61 HE2 LYS 61 3.238 -11.327 -0.858
474 HE3 LYS 61 HE3 LYS 61 3.540 -12.739 0.150
475 HZ1 LYS 61 HZ1 LYS 61 1.259 -10.847 0.377
476 HZ2 LYS 61 HZ2 LYS 61 1.576 -12.076 1.490
477 HZ3 LYS 61 HZ3 LYS 61 1.194 -12.464 -0.110
478 H ARG 62 H ARG 62 2.571 -15.459 4.250
479 HA ARG 62 HA ARG 62 4.615 -17.384 4.955
480 HB2 ARG 62 HB2 ARG 62 1.615 -17.618 4.463
481 HB3 ARG 62 HB3 ARG 62 2.620 -19.033 4.765
482 HG2 ARG 62 HG2 ARG 62 2.357 -16.680 6.671
483 HG3 ARG 62 HG3 ARG 62 1.443 -18.183 6.803
484 HD2 ARG 62 HD2 ARG 62 3.556 -19.443 7.109
485 HD3 ARG 62 HD3 ARG 62 4.472 -17.941 6.942
486 HE ARG 62 HE ARG 62 2.681 -17.511 9.001
487 HH11 ARG 62 HH11 ARG 62 5.374 -19.733 8.451
488 HH12 ARG 62 HH12 ARG 62 5.767 -19.845 10.137
489 HH21 ARG 62 HH21 ARG 62 3.247 -17.653 11.197
490 HH22 ARG 62 HH22 ARG 62 4.566 -18.669 11.692
491 H LYS 63 H LYS 63 5.886 -16.915 3.085
492 HA LYS 63 HA LYS 63 6.334 -19.100 1.576
493 HB2 LYS 63 HB2 LYS 63 4.496 -17.267 0.058
494 HB3 LYS 63 HB3 LYS 63 5.889 -17.852 -0.841
495 HG2 LYS 63 HG2 LYS 63 5.230 -20.137 -0.578
496 HG3 LYS 63 HG3 LYS 63 4.001 -19.720 0.616
497 HD2 LYS 63 HD2 LYS 63 2.752 -18.482 -1.183
498 HD3 LYS 63 HD3 LYS 63 3.944 -19.059 -2.356
499 HE2 LYS 63 HE2 LYS 63 1.916 -20.462 -2.371
500 HE3 LYS 63 HE3 LYS 63 3.324 -21.391 -1.854
501 HZ1 LYS 63 HZ1 LYS 63 1.299 -20.206 -0.029
502 HZ2 LYS 63 HZ2 LYS 63 2.597 -21.177 0.438
503 HZ3 LYS 63 HZ3 LYS 63 1.343 -21.827 -0.492
Start of MODEL 11
1 H1 SER 1 H1 SER 1 -41.139 10.549 5.641
2 H2 SER 1 H2 SER 1 -40.984 9.670 4.209
3 H3 SER 1 H3 SER 1 -41.846 11.117 4.212
4 HA SER 1 HA SER 1 -39.674 11.352 3.209
5 HB2 SER 1 HB2 SER 1 -40.759 13.292 4.363
6 HB3 SER 1 HB3 SER 1 -39.941 12.841 5.861
7 HG SER 1 HG SER 1 -38.979 14.510 4.313
8 H HIS 2 H HIS 2 -37.765 10.359 3.117
9 HA HIS 2 HA HIS 2 -36.638 9.076 5.531
10 HB2 HIS 2 HB2 HIS 2 -36.159 8.416 2.585
11 HB3 HIS 2 HB3 HIS 2 -35.548 7.509 3.970
12 HD2 HIS 2 HD2 HIS 2 -37.286 5.594 4.968
13 HE1 HIS 2 HE1 HIS 2 -40.612 6.650 2.570
14 HE2 HIS 2 HE2 HIS 2 -39.639 4.901 4.118
15 H MET 3 H MET 3 -35.211 10.493 6.393
16 HA MET 3 HA MET 3 -33.506 12.196 4.814
17 HB2 MET 3 HB2 MET 3 -33.462 11.593 7.805
18 HB3 MET 3 HB3 MET 3 -32.448 12.795 7.012
19 HG2 MET 3 HG2 MET 3 -34.305 13.914 8.058
20 HG3 MET 3 HG3 MET 3 -34.500 14.009 6.306
21 HE1 MET 3 HE1 MET 3 -36.946 14.647 8.284
22 HE2 MET 3 HE2 MET 3 -38.235 13.778 7.452
23 HE3 MET 3 HE3 MET 3 -37.046 14.689 6.522
24 H SER 4 H SER 4 -32.543 10.624 3.493
25 HA SER 4 HA SER 4 -30.658 8.677 4.612
26 HB2 SER 4 HB2 SER 4 -32.292 8.109 2.763
27 HB3 SER 4 HB3 SER 4 -31.451 9.243 1.715
28 HG SER 4 HG SER 4 -29.538 7.770 2.403
29 H ALA 5 H ALA 5 -30.529 11.857 4.221
30 HA ALA 5 HA ALA 5 -28.326 12.461 2.589
31 HB1 ALA 5 HB1 ALA 5 -29.981 14.135 3.312
32 HB2 ALA 5 HB2 ALA 5 -28.347 14.643 3.737
33 HB3 ALA 5 HB3 ALA 5 -29.417 13.991 4.981
34 H SER 6 H SER 6 -26.597 11.136 2.963
35 HA SER 6 HA SER 6 -24.844 11.715 5.187
36 HB2 SER 6 HB2 SER 6 -24.635 9.268 5.850
37 HB3 SER 6 HB3 SER 6 -26.183 9.994 6.277
38 HG SER 6 HG SER 6 -26.798 9.048 4.054
39 H ARG 7 H ARG 7 -22.797 11.687 4.449
40 HA ARG 7 HA ARG 7 -22.109 10.375 1.905
41 HB2 ARG 7 HB2 ARG 7 -20.553 12.299 3.700
42 HB3 ARG 7 HB3 ARG 7 -19.837 11.497 2.309
43 HG2 ARG 7 HG2 ARG 7 -20.441 13.739 1.664
44 HG3 ARG 7 HG3 ARG 7 -21.508 12.612 0.828
45 HD2 ARG 7 HD2 ARG 7 -23.303 13.101 2.449
46 HD3 ARG 7 HD3 ARG 7 -22.237 14.213 3.312
47 HE ARG 7 HE ARG 7 -22.192 15.350 0.955
48 HH11 ARG 7 HH11 ARG 7 -25.007 13.998 2.574
49 HH12 ARG 7 HH12 ARG 7 -26.118 15.082 1.806
50 HH21 ARG 7 HH21 ARG 7 -23.647 16.756 -0.035
51 HH22 ARG 7 HH22 ARG 7 -25.340 16.654 0.329
52 H ARG 8 H ARG 8 -22.372 8.274 2.647
53 HA ARG 8 HA ARG 8 -21.348 7.334 5.142
54 HB2 ARG 8 HB2 ARG 8 -23.422 6.560 3.793
55 HB3 ARG 8 HB3 ARG 8 -22.304 5.613 2.822
56 HG2 ARG 8 HG2 ARG 8 -21.746 4.201 4.662
57 HG3 ARG 8 HG3 ARG 8 -22.473 5.306 5.832
58 HD2 ARG 8 HD2 ARG 8 -23.942 3.624 3.766
59 HD3 ARG 8 HD3 ARG 8 -23.959 3.401 5.521
60 HE ARG 8 HE ARG 8 -25.114 5.758 4.123
61 HH11 ARG 8 HH11 ARG 8 -25.310 3.401 6.729
62 HH12 ARG 8 HH12 ARG 8 -26.768 4.078 7.375
63 HH21 ARG 8 HH21 ARG 8 -26.964 6.662 5.033
64 HH22 ARG 8 HH22 ARG 8 -27.704 5.923 6.419
65 H VAL 9 H VAL 9 -19.332 6.659 5.553
66 HA VAL 9 HA VAL 9 -17.256 7.094 3.688
67 HB VAL 9 HB VAL 9 -17.135 5.773 6.441
68 HG11 VAL 9 HG11 VAL 9 -14.886 6.968 4.782
69 HG12 VAL 9 HG12 VAL 9 -15.107 5.258 5.155
70 HG13 VAL 9 HG13 VAL 9 -14.735 6.400 6.448
71 HG21 VAL 9 HG21 VAL 9 -16.682 8.675 5.640
72 HG22 VAL 9 HG22 VAL 9 -16.495 8.016 7.266
73 HG23 VAL 9 HG23 VAL 9 -18.088 8.052 6.510
74 H GLY 10 H GLY 10 -17.071 5.803 1.978
75 HA2 GLY 10 HA2 GLY 10 -17.369 2.921 2.007
76 HA3 GLY 10 HA3 GLY 10 -16.902 3.933 0.650
77 H LEU 11 H LEU 11 -15.784 2.304 3.516
78 HA LEU 11 HA LEU 11 -13.845 1.380 4.194
79 HB2 LEU 11 HB2 LEU 11 -12.903 1.860 1.343
80 HB3 LEU 11 HB3 LEU 11 -11.986 0.954 2.535
81 HG LEU 11 HG LEU 11 -14.707 0.155 1.421
82 HD11 LEU 11 HD11 LEU 11 -13.518 -1.661 0.281
83 HD12 LEU 11 HD12 LEU 11 -11.973 -1.043 0.872
84 HD13 LEU 11 HD13 LEU 11 -12.936 -0.085 -0.255
85 HD21 LEU 11 HD21 LEU 11 -14.380 -1.974 2.616
86 HD22 LEU 11 HD22 LEU 11 -14.448 -0.615 3.732
87 HD23 LEU 11 HD23 LEU 11 -12.893 -1.348 3.336
88 H SER 12 H SER 12 -11.394 1.822 4.416
89 HA SER 12 HA SER 12 -10.546 4.615 4.178
90 HB2 SER 12 HB2 SER 12 -10.532 3.115 6.841
91 HB3 SER 12 HB3 SER 12 -9.812 4.697 6.557
92 HG SER 12 HG SER 12 -12.307 4.871 5.766
93 H CYS 13 H CYS 13 -8.255 4.775 4.118
94 HA CYS 13 HA CYS 13 -6.721 2.599 3.202
95 HB2 CYS 13 HB2 CYS 13 -6.131 4.961 2.736
96 HB3 CYS 13 HB3 CYS 13 -5.776 5.231 4.438
97 H ALA 14 H ALA 14 -6.195 0.889 4.333
98 HA ALA 14 HA ALA 14 -6.395 0.509 7.100
99 HB1 ALA 14 HB1 ALA 14 -5.368 -1.696 6.675
100 HB2 ALA 14 HB2 ALA 14 -4.840 -1.156 5.081
101 HB3 ALA 14 HB3 ALA 14 -6.560 -1.310 5.426
102 H ASN 15 H ASN 15 -3.852 1.937 5.317
103 HA ASN 15 HA ASN 15 -1.767 1.422 7.315
104 HB2 ASN 15 HB2 ASN 15 -1.149 1.047 4.967
105 HB3 ASN 15 HB3 ASN 15 -1.632 2.682 4.535
106 HD21 ASN 15 HD21 ASN 15 -0.237 4.407 5.039
107 HD22 ASN 15 HD22 ASN 15 1.373 4.172 5.601
108 H CYS 16 H CYS 16 -3.173 4.267 5.553
109 HA CYS 16 HA CYS 16 -1.891 6.044 7.566
110 HB2 CYS 16 HB2 CYS 16 -1.697 7.736 5.782
111 HB3 CYS 16 HB3 CYS 16 -0.900 6.239 5.321
112 H GLN 17 H GLN 17 -4.904 4.952 6.664
113 HA GLN 17 HA GLN 17 -6.967 5.389 7.460
114 HB2 GLN 17 HB2 GLN 17 -5.549 7.437 9.204
115 HB3 GLN 17 HB3 GLN 17 -7.224 6.940 9.418
116 HG2 GLN 17 HG2 GLN 17 -6.586 4.712 10.033
117 HG3 GLN 17 HG3 GLN 17 -4.922 4.980 9.512
118 HE21 GLN 17 HE21 GLN 17 -4.155 4.311 11.549
119 HE22 GLN 17 HE22 GLN 17 -4.267 5.324 12.943
120 H THR 18 H THR 18 -5.699 7.245 5.224
121 HA THR 18 HA THR 18 -7.669 9.394 5.194
122 HB THR 18 HB THR 18 -5.467 9.833 4.160
123 HG1 THR 18 HG1 THR 18 -6.343 10.584 2.078
124 HG21 THR 18 HG21 THR 18 -6.238 7.805 2.028
125 HG22 THR 18 HG22 THR 18 -4.977 7.570 3.244
126 HG23 THR 18 HG23 THR 18 -4.805 8.834 2.028
127 H THR 19 H THR 19 -9.489 9.509 3.875
128 HA THR 19 HA THR 19 -10.461 6.964 2.715
129 HB THR 19 HB THR 19 -12.747 7.967 3.015
130 HG1 THR 19 HG1 THR 19 -12.925 10.002 3.609
131 HG21 THR 19 HG21 THR 19 -11.076 7.891 5.563
132 HG22 THR 19 HG22 THR 19 -11.818 6.490 4.785
133 HG23 THR 19 HG23 THR 19 -12.835 7.756 5.474
134 H THR 20 H THR 20 -9.447 10.150 1.942
135 HA THR 20 HA THR 20 -10.865 10.292 -0.617
136 HB THR 20 HB THR 20 -9.651 12.511 -0.838
137 HG1 THR 20 HG1 THR 20 -7.865 12.110 0.510
138 HG21 THR 20 HG21 THR 20 -10.963 13.696 0.889
139 HG22 THR 20 HG22 THR 20 -11.248 12.170 1.728
140 HG23 THR 20 HG23 THR 20 -11.927 12.433 0.121
141 H THR 21 H THR 21 -9.952 8.657 -1.856
142 HA THR 21 HA THR 21 -7.295 9.250 -2.944
143 HB THR 21 HB THR 21 -6.973 7.398 -1.280
144 HG1 THR 21 HG1 THR 21 -5.568 7.426 -3.006
145 HG21 THR 21 HG21 THR 21 -9.168 6.278 -1.463
146 HG22 THR 21 HG22 THR 21 -7.846 5.145 -1.739
147 HG23 THR 21 HG23 THR 21 -8.774 5.760 -3.107
148 H THR 22 H THR 22 -6.947 8.235 -5.045
149 HA THR 22 HA THR 22 -9.281 8.344 -6.742
150 HB THR 22 HB THR 22 -7.508 7.838 -8.567
151 HG1 THR 22 HG1 THR 22 -5.582 8.625 -6.655
152 HG21 THR 22 HG21 THR 22 -6.600 10.140 -8.536
153 HG22 THR 22 HG22 THR 22 -7.148 10.342 -6.873
154 HG23 THR 22 HG23 THR 22 -8.328 10.136 -8.171
155 H LEU 23 H LEU 23 -7.138 5.868 -5.428
156 HA LEU 23 HA LEU 23 -8.797 3.751 -6.594
157 HB2 LEU 23 HB2 LEU 23 -6.950 4.129 -8.212
158 HB3 LEU 23 HB3 LEU 23 -5.772 3.874 -6.934
159 HG LEU 23 HG LEU 23 -6.480 1.503 -6.730
160 HD11 LEU 23 HD11 LEU 23 -8.017 0.484 -8.380
161 HD12 LEU 23 HD12 LEU 23 -8.381 2.086 -9.027
162 HD13 LEU 23 HD13 LEU 23 -8.829 1.683 -7.369
163 HD21 LEU 23 HD21 LEU 23 -5.775 2.288 -9.585
164 HD22 LEU 23 HD22 LEU 23 -5.572 0.682 -8.877
165 HD23 LEU 23 HD23 LEU 23 -4.634 2.039 -8.260
166 H TRP 24 H TRP 24 -9.319 2.374 -5.041
167 HA TRP 24 HA TRP 24 -7.780 2.039 -2.597
168 HB2 TRP 24 HB2 TRP 24 -10.352 0.734 -3.595
169 HB3 TRP 24 HB3 TRP 24 -9.589 0.313 -2.065
170 HD1 TRP 24 HD1 TRP 24 -12.246 2.500 -3.326
171 HE1 TRP 24 HE1 TRP 24 -12.818 4.342 -1.626
172 HE3 TRP 24 HE3 TRP 24 -8.137 2.119 -0.287
173 HZ2 TRP 24 HZ2 TRP 24 -11.688 5.489 0.690
174 HZ3 TRP 24 HZ3 TRP 24 -7.959 3.642 1.634
175 HH2 TRP 24 HH2 TRP 24 -9.697 5.291 2.111
176 H ARG 25 H ARG 25 -5.848 1.226 -3.343
177 HA ARG 25 HA ARG 25 -5.643 -1.251 -4.819
178 HB2 ARG 25 HB2 ARG 25 -3.617 0.524 -3.408
179 HB3 ARG 25 HB3 ARG 25 -3.161 -1.070 -4.005
180 HG2 ARG 25 HG2 ARG 25 -3.899 -0.380 -6.284
181 HG3 ARG 25 HG3 ARG 25 -4.188 1.245 -5.664
182 HD2 ARG 25 HD2 ARG 25 -1.883 1.629 -5.288
183 HD3 ARG 25 HD3 ARG 25 -1.481 -0.086 -5.371
184 HE ARG 25 HE ARG 25 -1.993 1.729 -7.625
185 HH11 ARG 25 HH11 ARG 25 -1.171 -1.554 -6.590
186 HH12 ARG 25 HH12 ARG 25 -0.604 -2.024 -8.160
187 HH21 ARG 25 HH21 ARG 25 -1.228 1.081 -9.659
188 HH22 ARG 25 HH22 ARG 25 -0.637 -0.532 -9.899
189 H ARG 26 H ARG 26 -4.414 -3.107 -3.899
190 HA ARG 26 HA ARG 26 -4.891 -3.561 -0.998
191 HB2 ARG 26 HB2 ARG 26 -4.608 -5.588 -3.276
192 HB3 ARG 26 HB3 ARG 26 -4.539 -6.027 -1.575
193 HG2 ARG 26 HG2 ARG 26 -6.742 -6.540 -2.331
194 HG3 ARG 26 HG3 ARG 26 -6.868 -5.115 -1.304
195 HD2 ARG 26 HD2 ARG 26 -6.970 -3.686 -3.330
196 HD3 ARG 26 HD3 ARG 26 -6.899 -5.132 -4.341
197 HE ARG 26 HE ARG 26 -9.039 -5.481 -2.615
198 HH11 ARG 26 HH11 ARG 26 -8.182 -3.210 -5.165
199 HH12 ARG 26 HH12 ARG 26 -9.828 -2.896 -5.604
200 HH21 ARG 26 HH21 ARG 26 -11.181 -5.088 -3.221
201 HH22 ARG 26 HH22 ARG 26 -11.529 -3.970 -4.500
202 H ASN 27 H ASN 27 -3.113 -3.854 0.249
203 HA ASN 27 HA ASN 27 -0.455 -3.610 -0.879
204 HB2 ASN 27 HB2 ASN 27 0.318 -3.742 1.497
205 HB3 ASN 27 HB3 ASN 27 -0.921 -2.515 1.260
206 HD21 ASN 27 HD21 ASN 27 -1.355 -2.563 3.512
207 HD22 ASN 27 HD22 ASN 27 -2.223 -3.860 4.245
208 H ALA 28 H ALA 28 1.140 -5.332 0.494
209 HA ALA 28 HA ALA 28 0.914 -7.739 -1.026
210 HB1 ALA 28 HB1 ALA 28 3.014 -8.397 0.055
211 HB2 ALA 28 HB2 ALA 28 2.849 -7.081 1.225
212 HB3 ALA 28 HB3 ALA 28 3.090 -6.727 -0.487
213 H GLU 29 H GLU 29 -0.457 -6.862 1.932
214 HA GLU 29 HA GLU 29 -0.798 -9.591 2.959
215 HB2 GLU 29 HB2 GLU 29 -1.894 -6.970 4.048
216 HB3 GLU 29 HB3 GLU 29 -1.780 -8.509 4.901
217 HG2 GLU 29 HG2 GLU 29 0.606 -8.346 5.069
218 HG3 GLU 29 HG3 GLU 29 0.665 -7.016 3.915
219 H GLY 30 H GLY 30 -2.437 -7.150 1.100
220 HA2 GLY 30 HA2 GLY 30 -4.272 -7.642 -0.350
221 HA3 GLY 30 HA3 GLY 30 -4.852 -8.826 0.808
222 H GLU 31 H GLU 31 -3.878 -5.974 2.333
223 HA GLU 31 HA GLU 31 -6.577 -5.341 3.134
224 HB2 GLU 31 HB2 GLU 31 -3.923 -4.054 3.896
225 HB3 GLU 31 HB3 GLU 31 -5.466 -3.724 4.675
226 HG2 GLU 31 HG2 GLU 31 -4.077 -6.416 4.620
227 HG3 GLU 31 HG3 GLU 31 -4.039 -5.279 5.960
228 HA PRO 32 HA PRO 32 -7.368 -2.060 0.188
229 HB2 PRO 32 HB2 PRO 32 -9.254 -0.825 2.140
230 HB3 PRO 32 HB3 PRO 32 -9.601 -1.593 0.579
231 HG2 PRO 32 HG2 PRO 32 -10.287 -2.734 2.941
232 HG3 PRO 32 HG3 PRO 32 -9.864 -3.689 1.501
233 HD2 PRO 32 HD2 PRO 32 -8.177 -3.065 3.917
234 HD3 PRO 32 HD3 PRO 32 -8.311 -4.578 2.993
235 H VAL 33 H VAL 33 -5.469 -0.911 0.169
236 HA VAL 33 HA VAL 33 -5.112 1.348 2.043
237 HB VAL 33 HB VAL 33 -2.729 1.374 1.272
238 HG11 VAL 33 HG11 VAL 33 -3.290 0.190 3.352
239 HG12 VAL 33 HG12 VAL 33 -1.970 -0.626 2.512
240 HG13 VAL 33 HG13 VAL 33 -3.603 -1.295 2.447
241 HG21 VAL 33 HG21 VAL 33 -1.795 -0.547 -0.004
242 HG22 VAL 33 HG22 VAL 33 -2.983 0.341 -0.959
243 HG23 VAL 33 HG23 VAL 33 -3.422 -1.200 -0.216
244 H CYS 34 H CYS 34 -4.589 3.380 1.175
245 HA CYS 34 HA CYS 34 -5.816 4.169 -1.273
246 HB2 CYS 34 HB2 CYS 34 -4.852 6.386 -0.771
247 HB3 CYS 34 HB3 CYS 34 -5.586 5.691 0.672
248 H ASN 35 H ASN 35 -4.577 5.476 -2.950
249 HA ASN 35 HA ASN 35 -2.692 3.923 -4.324
250 HB2 ASN 35 HB2 ASN 35 -2.446 5.818 -5.883
251 HB3 ASN 35 HB3 ASN 35 -4.139 5.571 -5.484
252 HD21 ASN 35 HD21 ASN 35 -2.888 7.933 -6.550
253 HD22 ASN 35 HD22 ASN 35 -3.183 9.209 -5.426
254 H ALA 36 H ALA 36 -2.202 6.688 -2.124
255 HA ALA 36 HA ALA 36 0.547 7.127 -2.526
256 HB1 ALA 36 HB1 ALA 36 -1.065 7.545 0.011
257 HB2 ALA 36 HB2 ALA 36 -0.921 8.683 -1.327
258 HB3 ALA 36 HB3 ALA 36 0.500 8.288 -0.362
259 H CYS 37 H CYS 37 -1.078 4.831 -0.351
260 HA CYS 37 HA CYS 37 1.345 3.993 1.015
261 HB2 CYS 37 HB2 CYS 37 -1.480 2.829 1.103
262 HB3 CYS 37 HB3 CYS 37 -0.179 2.447 2.223
263 H GLY 38 H GLY 38 -0.802 2.718 -1.516
264 HA2 GLY 38 HA2 GLY 38 0.314 0.093 -1.694
265 HA3 GLY 38 HA3 GLY 38 -0.729 0.868 -2.875
266 H LEU 39 H LEU 39 0.920 3.113 -3.435
267 HA LEU 39 HA LEU 39 2.765 1.983 -5.328
268 HB2 LEU 39 HB2 LEU 39 2.207 4.868 -4.569
269 HB3 LEU 39 HB3 LEU 39 3.255 4.378 -5.892
270 HG LEU 39 HG LEU 39 0.263 3.811 -5.724
271 HD11 LEU 39 HD11 LEU 39 0.009 5.457 -7.532
272 HD12 LEU 39 HD12 LEU 39 1.736 5.809 -7.470
273 HD13 LEU 39 HD13 LEU 39 0.712 6.194 -6.087
274 HD21 LEU 39 HD21 LEU 39 2.196 3.239 -8.000
275 HD22 LEU 39 HD22 LEU 39 0.446 3.015 -8.049
276 HD23 LEU 39 HD23 LEU 39 1.422 2.037 -6.959
277 H TYR 40 H TYR 40 3.038 3.328 -2.102
278 HA TYR 40 HA TYR 40 5.880 3.729 -2.136
279 HB2 TYR 40 HB2 TYR 40 4.206 4.753 -0.443
280 HB3 TYR 40 HB3 TYR 40 4.233 3.200 0.383
281 HD1 TYR 40 HD1 TYR 40 6.415 2.393 1.430
282 HD2 TYR 40 HD2 TYR 40 6.031 6.320 -0.208
283 HE1 TYR 40 HE1 TYR 40 8.425 3.089 2.646
284 HE2 TYR 40 HE2 TYR 40 8.053 7.014 1.008
285 HH TYR 40 HH TYR 40 9.319 6.302 3.040
286 H MET 41 H MET 41 3.726 1.069 -1.144
287 HA MET 41 HA MET 41 5.782 -0.752 -0.350
288 HB2 MET 41 HB2 MET 41 3.540 -1.126 0.467
289 HB3 MET 41 HB3 MET 41 2.880 -1.201 -1.161
290 HG2 MET 41 HG2 MET 41 3.909 -3.333 -1.559
291 HG3 MET 41 HG3 MET 41 4.859 -3.222 -0.081
292 HE1 MET 41 HE1 MET 41 4.032 -3.892 2.266
293 HE2 MET 41 HE2 MET 41 2.330 -3.995 2.716
294 HE3 MET 41 HE3 MET 41 3.020 -2.441 2.251
295 H LYS 42 H LYS 42 4.212 -0.030 -3.414
296 HA LYS 42 HA LYS 42 5.219 -2.091 -5.032
297 HB2 LYS 42 HB2 LYS 42 3.448 -0.524 -5.755
298 HB3 LYS 42 HB3 LYS 42 4.596 0.807 -5.751
299 HG2 LYS 42 HG2 LYS 42 4.197 0.109 -8.029
300 HG3 LYS 42 HG3 LYS 42 5.855 -0.300 -7.585
301 HD2 LYS 42 HD2 LYS 42 5.094 -2.658 -7.147
302 HD3 LYS 42 HD3 LYS 42 3.493 -2.210 -7.745
303 HE2 LYS 42 HE2 LYS 42 4.518 -1.616 -9.938
304 HE3 LYS 42 HE3 LYS 42 6.085 -2.160 -9.332
305 HZ1 LYS 42 HZ1 LYS 42 5.139 -4.373 -9.018
306 HZ2 LYS 42 HZ2 LYS 42 5.019 -3.875 -10.627
307 HZ3 LYS 42 HZ3 LYS 42 3.657 -3.840 -9.637
308 H LEU 43 H LEU 43 6.659 0.935 -3.948
309 HA LEU 43 HA LEU 43 9.083 0.675 -5.495
310 HB2 LEU 43 HB2 LEU 43 8.219 2.587 -3.294
311 HB3 LEU 43 HB3 LEU 43 9.780 2.685 -4.088
312 HG LEU 43 HG LEU 43 7.129 2.963 -5.560
313 HD11 LEU 43 HD11 LEU 43 8.984 5.169 -4.588
314 HD12 LEU 43 HD12 LEU 43 7.373 4.813 -3.961
315 HD13 LEU 43 HD13 LEU 43 7.563 5.392 -5.614
316 HD21 LEU 43 HD21 LEU 43 9.983 3.539 -6.441
317 HD22 LEU 43 HD22 LEU 43 8.533 3.872 -7.394
318 HD23 LEU 43 HD23 LEU 43 8.963 2.210 -7.003
319 H HIS 44 H HIS 44 8.621 0.929 -1.933
320 HA HIS 44 HA HIS 44 11.376 -0.001 -1.588
321 HB2 HIS 44 HB2 HIS 44 9.487 1.307 0.422
322 HB3 HIS 44 HB3 HIS 44 11.216 1.026 0.649
323 HD1 HIS 44 HD1 HIS 44 12.831 2.438 -0.988
324 HD2 HIS 44 HD2 HIS 44 8.856 3.664 -0.904
325 HE1 HIS 44 HE1 HIS 44 12.786 4.680 -2.110
326 HE2 HIS 44 HE2 HIS 44 10.406 5.454 -1.945
327 H GLY 45 H GLY 45 8.453 -1.550 -1.592
328 HA2 GLY 45 HA2 GLY 45 8.093 -3.807 -1.100
329 HA3 GLY 45 HA3 GLY 45 9.473 -3.807 -0.013
330 H VAL 46 H VAL 46 8.817 -1.695 1.655
331 HA VAL 46 HA VAL 46 6.492 -2.652 3.172
332 HB VAL 46 HB VAL 46 7.374 -1.236 5.011
333 HG11 VAL 46 HG11 VAL 46 8.207 -3.542 4.858
334 HG12 VAL 46 HG12 VAL 46 9.476 -2.481 5.468
335 HG13 VAL 46 HG13 VAL 46 9.512 -3.026 3.789
336 HG21 VAL 46 HG21 VAL 46 9.594 -0.463 3.067
337 HG22 VAL 46 HG22 VAL 46 9.554 -0.055 4.784
338 HG23 VAL 46 HG23 VAL 46 8.341 0.613 3.692
339 HA PRO 47 HA PRO 47 4.079 0.989 1.980
340 HB2 PRO 47 HB2 PRO 47 2.208 1.110 3.902
341 HB3 PRO 47 HB3 PRO 47 2.323 -0.332 2.869
342 HG2 PRO 47 HG2 PRO 47 3.326 0.059 5.671
343 HG3 PRO 47 HG3 PRO 47 2.475 -1.334 4.963
344 HD2 PRO 47 HD2 PRO 47 5.237 -1.183 5.264
345 HD3 PRO 47 HD3 PRO 47 4.408 -2.235 4.100
346 H ARG 48 H ARG 48 2.968 3.016 3.369
347 HA ARG 48 HA ARG 48 5.218 4.643 4.072
348 HB2 ARG 48 HB2 ARG 48 2.244 5.157 3.882
349 HB3 ARG 48 HB3 ARG 48 3.325 6.385 4.546
350 HG2 ARG 48 HG2 ARG 48 4.629 6.347 2.458
351 HG3 ARG 48 HG3 ARG 48 3.528 5.145 1.803
352 HD2 ARG 48 HD2 ARG 48 1.692 6.749 1.867
353 HD3 ARG 48 HD3 ARG 48 2.731 7.953 2.638
354 HE ARG 48 HE ARG 48 3.199 6.889 -0.093
355 HH11 ARG 48 HH11 ARG 48 3.137 9.649 2.109
356 HH12 ARG 48 HH12 ARG 48 3.645 10.769 0.889
357 HH21 ARG 48 HH21 ARG 48 3.868 8.362 -1.657
358 HH22 ARG 48 HH22 ARG 48 4.066 10.037 -1.260
359 HA PRO 49 HA PRO 49 4.867 3.737 8.514
360 HB2 PRO 49 HB2 PRO 49 7.267 4.795 9.275
361 HB3 PRO 49 HB3 PRO 49 7.154 3.234 8.438
362 HG2 PRO 49 HG2 PRO 49 7.970 5.893 7.365
363 HG3 PRO 49 HG3 PRO 49 8.559 4.273 6.941
364 HD2 PRO 49 HD2 PRO 49 6.685 5.758 5.464
365 HD3 PRO 49 HD3 PRO 49 6.964 4.015 5.296
366 H LEU 50 H LEU 50 3.670 4.959 9.873
367 HA LEU 50 HA LEU 50 3.244 7.775 9.384
368 HB2 LEU 50 HB2 LEU 50 2.106 5.969 11.551
369 HB3 LEU 50 HB3 LEU 50 1.576 7.613 11.225
370 HG LEU 50 HG LEU 50 1.263 5.224 9.359
371 HD11 LEU 50 HD11 LEU 50 -0.831 6.819 10.872
372 HD12 LEU 50 HD12 LEU 50 -0.309 5.170 11.233
373 HD13 LEU 50 HD13 LEU 50 -1.157 5.516 9.727
374 HD21 LEU 50 HD21 LEU 50 1.677 7.243 8.021
375 HD22 LEU 50 HD22 LEU 50 0.403 8.102 8.884
376 HD23 LEU 50 HD23 LEU 50 -0.006 6.726 7.859
377 H ALA 51 H ALA 51 3.770 9.504 10.697
378 HA ALA 51 HA ALA 51 6.154 9.310 12.279
379 HB1 ALA 51 HB1 ALA 51 5.702 11.255 10.842
380 HB2 ALA 51 HB2 ALA 51 5.912 11.754 12.521
381 HB3 ALA 51 HB3 ALA 51 4.293 11.670 11.821
382 H MET 52 H MET 52 6.349 9.077 14.449
383 HA MET 52 HA MET 52 3.956 8.965 16.138
384 HB2 MET 52 HB2 MET 52 5.506 7.082 16.311
385 HB3 MET 52 HB3 MET 52 6.847 8.155 16.688
386 HG2 MET 52 HG2 MET 52 5.856 8.727 18.824
387 HG3 MET 52 HG3 MET 52 4.390 7.831 18.434
388 HE1 MET 52 HE1 MET 52 5.331 5.074 17.228
389 HE2 MET 52 HE2 MET 52 4.168 5.184 18.551
390 HE3 MET 52 HE3 MET 52 5.554 4.104 18.684
391 H ARG 53 H ARG 53 3.318 10.879 16.851
392 HA ARG 53 HA ARG 53 5.033 13.047 17.652
393 HB2 ARG 53 HB2 ARG 53 2.053 12.515 18.023
394 HB3 ARG 53 HB3 ARG 53 2.838 13.992 18.573
395 HG2 ARG 53 HG2 ARG 53 2.741 13.052 15.685
396 HG3 ARG 53 HG3 ARG 53 1.676 14.262 16.399
397 HD2 ARG 53 HD2 ARG 53 4.692 14.488 16.068
398 HD3 ARG 53 HD3 ARG 53 3.459 15.366 15.155
399 HE ARG 53 HE ARG 53 2.783 16.300 17.420
400 HH11 ARG 53 HH11 ARG 53 6.136 15.498 16.708
401 HH12 ARG 53 HH12 ARG 53 6.748 16.655 17.840
402 HH21 ARG 53 HH21 ARG 53 3.634 17.767 18.908
403 HH22 ARG 53 HH22 ARG 53 5.355 17.927 19.075
404 H LYS 54 H LYS 54 2.929 10.733 19.350
405 HA LYS 54 HA LYS 54 4.759 10.625 21.638
406 HB2 LYS 54 HB2 LYS 54 1.751 11.079 21.928
407 HB3 LYS 54 HB3 LYS 54 2.814 10.609 23.249
408 HG2 LYS 54 HG2 LYS 54 4.125 12.765 22.765
409 HG3 LYS 54 HG3 LYS 54 2.772 13.232 21.734
410 HD2 LYS 54 HD2 LYS 54 2.535 14.244 23.958
411 HD3 LYS 54 HD3 LYS 54 1.241 13.077 23.682
412 HE2 LYS 54 HE2 LYS 54 2.351 11.426 25.076
413 HE3 LYS 54 HE3 LYS 54 3.776 12.456 25.244
414 HZ1 LYS 54 HZ1 LYS 54 1.066 13.138 26.250
415 HZ2 LYS 54 HZ2 LYS 54 2.478 14.038 26.472
416 HZ3 LYS 54 HZ3 LYS 54 2.327 12.517 27.190
417 H GLU 55 H GLU 55 4.734 8.649 22.721
418 HA GLU 55 HA GLU 55 3.799 6.373 21.179
419 HB2 GLU 55 HB2 GLU 55 5.024 5.033 22.988
420 HB3 GLU 55 HB3 GLU 55 6.015 6.098 22.004
421 HG2 GLU 55 HG2 GLU 55 6.090 7.743 23.835
422 HG3 GLU 55 HG3 GLU 55 5.044 6.711 24.806
423 H GLY 56 H GLY 56 1.568 6.595 21.372
424 HA2 GLY 56 HA2 GLY 56 0.154 6.395 23.889
425 HA3 GLY 56 HA3 GLY 56 -0.527 6.281 22.273
426 H ILE 57 H ILE 57 -0.974 4.595 24.687
427 HA ILE 57 HA ILE 57 0.228 2.030 24.104
428 HB ILE 57 HB ILE 57 -0.197 2.690 26.448
429 HG12 ILE 57 HG12 ILE 57 -1.213 0.556 27.253
430 HG13 ILE 57 HG13 ILE 57 -1.838 0.239 25.641
431 HG21 ILE 57 HG21 ILE 57 -3.158 2.524 25.804
432 HG22 ILE 57 HG22 ILE 57 -2.253 3.993 26.176
433 HG23 ILE 57 HG23 ILE 57 -2.463 2.751 27.412
434 HD11 ILE 57 HD11 ILE 57 0.136 -1.091 26.121
435 HD12 ILE 57 HD12 ILE 57 1.080 0.370 26.404
436 HD13 ILE 57 HD13 ILE 57 0.446 0.026 24.792
437 H GLN 58 H GLN 58 -0.645 0.349 23.025
438 HA GLN 58 HA GLN 58 -3.420 0.431 22.071
439 HB2 GLN 58 HB2 GLN 58 -2.068 1.617 20.343
440 HB3 GLN 58 HB3 GLN 58 -1.030 0.209 20.191
441 HG2 GLN 58 HG2 GLN 58 -2.674 0.397 18.340
442 HG3 GLN 58 HG3 GLN 58 -2.836 -1.104 19.248
443 HE21 GLN 58 HE21 GLN 58 -4.682 -1.433 20.500
444 HE22 GLN 58 HE22 GLN 58 -6.099 -0.454 20.355
445 H THR 59 H THR 59 -3.567 -1.271 23.638
446 HA THR 59 HA THR 59 -3.082 -3.867 22.299
447 HB THR 59 HB THR 59 -3.124 -4.965 24.587
448 HG1 THR 59 HG1 THR 59 -4.067 -3.294 25.796
449 HG21 THR 59 HG21 THR 59 -0.856 -2.979 24.174
450 HG22 THR 59 HG22 THR 59 -0.958 -4.592 23.463
451 HG23 THR 59 HG23 THR 59 -0.793 -4.402 25.210
452 H ARG 60 H ARG 60 -5.039 -3.362 21.227
453 HA ARG 60 HA ARG 60 -7.237 -3.288 20.763
454 HB2 ARG 60 HB2 ARG 60 -7.455 -4.891 23.337
455 HB3 ARG 60 HB3 ARG 60 -8.791 -4.629 22.216
456 HG2 ARG 60 HG2 ARG 60 -7.452 -5.720 20.416
457 HG3 ARG 60 HG3 ARG 60 -6.192 -6.060 21.603
458 HD2 ARG 60 HD2 ARG 60 -7.681 -7.513 22.844
459 HD3 ARG 60 HD3 ARG 60 -9.046 -7.057 21.815
460 HE ARG 60 HE ARG 60 -6.753 -8.264 20.473
461 HH11 ARG 60 HH11 ARG 60 -9.940 -8.832 21.872
462 HH12 ARG 60 HH12 ARG 60 -10.182 -10.309 20.997
463 HH21 ARG 60 HH21 ARG 60 -7.100 -10.161 19.311
464 HH22 ARG 60 HH22 ARG 60 -8.562 -11.066 19.534
465 H LYS 61 H LYS 61 -5.952 -1.176 22.324
466 HA LYS 61 HA LYS 61 -7.990 0.087 23.940
467 HB2 LYS 61 HB2 LYS 61 -5.531 0.410 24.325
468 HB3 LYS 61 HB3 LYS 61 -5.399 1.215 22.773
469 HG2 LYS 61 HG2 LYS 61 -5.398 2.847 24.576
470 HG3 LYS 61 HG3 LYS 61 -6.858 3.038 23.602
471 HD2 LYS 61 HD2 LYS 61 -8.169 1.833 25.318
472 HD3 LYS 61 HD3 LYS 61 -6.703 1.587 26.276
473 HE2 LYS 61 HE2 LYS 61 -8.002 3.442 27.188
474 HE3 LYS 61 HE3 LYS 61 -6.480 4.044 26.536
475 HZ1 LYS 61 HZ1 LYS 61 -7.687 4.747 24.541
476 HZ2 LYS 61 HZ2 LYS 61 -8.304 5.478 25.937
477 HZ3 LYS 61 HZ3 LYS 61 -9.136 4.196 25.216
478 H ARG 62 H ARG 62 -9.780 0.375 22.695
479 HA ARG 62 HA ARG 62 -9.668 2.167 20.347
480 HB2 ARG 62 HB2 ARG 62 -11.272 0.655 19.167
481 HB3 ARG 62 HB3 ARG 62 -9.719 -0.118 19.461
482 HG2 ARG 62 HG2 ARG 62 -10.683 -1.336 21.394
483 HG3 ARG 62 HG3 ARG 62 -12.243 -0.571 21.098
484 HD2 ARG 62 HD2 ARG 62 -12.400 -1.700 18.918
485 HD3 ARG 62 HD3 ARG 62 -10.805 -2.425 19.166
486 HE ARG 62 HE ARG 62 -12.356 -3.148 21.358
487 HH11 ARG 62 HH11 ARG 62 -12.419 -3.738 17.897
488 HH12 ARG 62 HH12 ARG 62 -13.191 -5.278 18.062
489 HH21 ARG 62 HH21 ARG 62 -13.321 -5.192 21.561
490 HH22 ARG 62 HH22 ARG 62 -13.713 -6.109 20.139
491 H LYS 63 H LYS 63 -12.210 2.352 19.686
492 HA LYS 63 HA LYS 63 -14.179 3.322 20.056
493 HB2 LYS 63 HB2 LYS 63 -14.661 1.093 21.062
494 HB3 LYS 63 HB3 LYS 63 -14.167 1.696 22.640
495 HG2 LYS 63 HG2 LYS 63 -16.607 1.635 22.465
496 HG3 LYS 63 HG3 LYS 63 -16.030 3.296 22.632
497 HD2 LYS 63 HD2 LYS 63 -16.258 3.582 20.152
498 HD3 LYS 63 HD3 LYS 63 -16.929 1.950 20.058
499 HE2 LYS 63 HE2 LYS 63 -18.813 2.624 21.472
500 HE3 LYS 63 HE3 LYS 63 -18.125 4.241 21.649
501 HZ1 LYS 63 HZ1 LYS 63 -19.041 3.017 19.105
502 HZ2 LYS 63 HZ2 LYS 63 -18.363 4.556 19.272
503 HZ3 LYS 63 HZ3 LYS 63 -19.850 4.210 19.993
Start of MODEL 12
1 H1 SER 1 H1 SER 1 -23.670 10.584 28.168
2 H2 SER 1 H2 SER 1 -24.680 9.591 29.081
3 H3 SER 1 H3 SER 1 -25.047 11.230 28.905
4 HA SER 1 HA SER 1 -26.449 9.857 27.531
5 HB2 SER 1 HB2 SER 1 -24.473 11.517 25.912
6 HB3 SER 1 HB3 SER 1 -26.128 11.117 25.437
7 HG SER 1 HG SER 1 -26.142 13.157 26.321
8 H HIS 2 H HIS 2 -23.116 9.822 26.220
9 HA HIS 2 HA HIS 2 -21.929 8.446 24.900
10 HB2 HIS 2 HB2 HIS 2 -23.589 6.275 26.235
11 HB3 HIS 2 HB3 HIS 2 -22.277 5.919 25.115
12 HD2 HIS 2 HD2 HIS 2 -22.745 6.126 28.785
13 HE1 HIS 2 HE1 HIS 2 -18.696 7.160 28.115
14 HE2 HIS 2 HE2 HIS 2 -20.359 6.257 29.793
15 H MET 3 H MET 3 -22.019 6.776 23.129
16 HA MET 3 HA MET 3 -24.405 6.291 21.647
17 HB2 MET 3 HB2 MET 3 -24.098 8.736 21.114
18 HB3 MET 3 HB3 MET 3 -22.488 8.397 20.500
19 HG2 MET 3 HG2 MET 3 -23.529 6.949 18.736
20 HG3 MET 3 HG3 MET 3 -25.117 7.451 19.319
21 HE1 MET 3 HE1 MET 3 -24.513 10.592 20.030
22 HE2 MET 3 HE2 MET 3 -25.971 10.046 19.200
23 HE3 MET 3 HE3 MET 3 -24.998 11.344 18.510
24 H SER 4 H SER 4 -23.983 4.600 20.235
25 HA SER 4 HA SER 4 -21.469 3.318 20.066
26 HB2 SER 4 HB2 SER 4 -22.608 2.060 18.121
27 HB3 SER 4 HB3 SER 4 -23.425 1.978 19.681
28 HG SER 4 HG SER 4 -24.800 2.454 17.838
29 H ALA 5 H ALA 5 -19.818 4.535 19.345
30 HA ALA 5 HA ALA 5 -20.013 6.694 17.537
31 HB1 ALA 5 HB1 ALA 5 -18.360 6.635 19.361
32 HB2 ALA 5 HB2 ALA 5 -17.581 6.909 17.800
33 HB3 ALA 5 HB3 ALA 5 -17.511 5.315 18.554
34 H SER 6 H SER 6 -20.932 5.837 15.671
35 HA SER 6 HA SER 6 -18.951 5.185 13.652
36 HB2 SER 6 HB2 SER 6 -19.821 2.926 14.297
37 HB3 SER 6 HB3 SER 6 -21.463 3.461 13.943
38 HG SER 6 HG SER 6 -19.433 2.706 12.236
39 H ARG 7 H ARG 7 -19.411 7.411 13.455
40 HA ARG 7 HA ARG 7 -21.858 8.613 12.761
41 HB2 ARG 7 HB2 ARG 7 -19.884 9.854 13.523
42 HB3 ARG 7 HB3 ARG 7 -18.983 9.368 12.092
43 HG2 ARG 7 HG2 ARG 7 -20.506 10.726 10.682
44 HG3 ARG 7 HG3 ARG 7 -21.396 11.216 12.130
45 HD2 ARG 7 HD2 ARG 7 -19.378 12.278 13.036
46 HD3 ARG 7 HD3 ARG 7 -18.446 11.736 11.637
47 HE ARG 7 HE ARG 7 -20.490 13.222 10.577
48 HH11 ARG 7 HH11 ARG 7 -17.947 13.848 12.922
49 HH12 ARG 7 HH12 ARG 7 -17.830 15.533 12.527
50 HH21 ARG 7 HH21 ARG 7 -20.312 15.430 10.054
51 HH22 ARG 7 HH22 ARG 7 -19.170 16.426 10.901
52 H ARG 8 H ARG 8 -19.394 7.018 10.846
53 HA ARG 8 HA ARG 8 -21.224 6.350 8.745
54 HB2 ARG 8 HB2 ARG 8 -20.004 7.390 6.885
55 HB3 ARG 8 HB3 ARG 8 -20.545 8.632 8.005
56 HG2 ARG 8 HG2 ARG 8 -18.266 8.807 8.936
57 HG3 ARG 8 HG3 ARG 8 -17.713 7.535 7.845
58 HD2 ARG 8 HD2 ARG 8 -18.696 10.306 7.088
59 HD3 ARG 8 HD3 ARG 8 -17.060 9.663 6.919
60 HE ARG 8 HE ARG 8 -19.218 8.329 5.445
61 HH11 ARG 8 HH11 ARG 8 -16.405 10.461 5.257
62 HH12 ARG 8 HH12 ARG 8 -16.276 10.310 3.532
63 HH21 ARG 8 HH21 ARG 8 -19.073 8.210 3.199
64 HH22 ARG 8 HH22 ARG 8 -17.791 9.037 2.372
65 H VAL 9 H VAL 9 -20.515 4.510 7.663
66 HA VAL 9 HA VAL 9 -17.956 3.317 8.517
67 HB VAL 9 HB VAL 9 -20.211 1.985 6.948
68 HG11 VAL 9 HG11 VAL 9 -18.029 0.889 6.630
69 HG12 VAL 9 HG12 VAL 9 -19.115 -0.141 7.563
70 HG13 VAL 9 HG13 VAL 9 -17.828 0.748 8.381
71 HG21 VAL 9 HG21 VAL 9 -19.665 1.853 9.937
72 HG22 VAL 9 HG22 VAL 9 -20.864 0.887 9.072
73 HG23 VAL 9 HG23 VAL 9 -21.042 2.641 9.158
74 H GLY 10 H GLY 10 -16.638 4.664 7.290
75 HA2 GLY 10 HA2 GLY 10 -16.760 4.473 4.332
76 HA3 GLY 10 HA3 GLY 10 -15.855 5.660 5.266
77 H LEU 11 H LEU 11 -15.034 3.564 3.153
78 HA LEU 11 HA LEU 11 -13.175 1.832 4.421
79 HB2 LEU 11 HB2 LEU 11 -13.171 3.007 1.616
80 HB3 LEU 11 HB3 LEU 11 -11.974 1.844 2.166
81 HG LEU 11 HG LEU 11 -14.953 1.369 1.787
82 HD11 LEU 11 HD11 LEU 11 -14.241 -0.255 0.103
83 HD12 LEU 11 HD12 LEU 11 -12.545 0.124 0.418
84 HD13 LEU 11 HD13 LEU 11 -13.613 1.348 -0.276
85 HD21 LEU 11 HD21 LEU 11 -14.568 -0.954 2.505
86 HD22 LEU 11 HD22 LEU 11 -14.255 0.183 3.811
87 HD23 LEU 11 HD23 LEU 11 -12.905 -0.554 2.944
88 H SER 12 H SER 12 -11.419 2.371 5.503
89 HA SER 12 HA SER 12 -9.981 4.906 4.955
90 HB2 SER 12 HB2 SER 12 -8.980 4.526 7.266
91 HB3 SER 12 HB3 SER 12 -10.723 4.796 7.272
92 HG SER 12 HG SER 12 -11.055 2.614 7.569
93 H CYS 13 H CYS 13 -7.811 4.784 4.432
94 HA CYS 13 HA CYS 13 -6.629 2.567 3.249
95 HB2 CYS 13 HB2 CYS 13 -5.781 4.852 2.933
96 HB3 CYS 13 HB3 CYS 13 -5.298 4.941 4.622
97 H ALA 14 H ALA 14 -5.871 0.738 4.058
98 HA ALA 14 HA ALA 14 -5.606 0.235 6.903
99 HB1 ALA 14 HB1 ALA 14 -5.147 -2.083 6.190
100 HB2 ALA 14 HB2 ALA 14 -5.078 -1.564 4.504
101 HB3 ALA 14 HB3 ALA 14 -6.593 -1.441 5.400
102 H ASN 15 H ASN 15 -3.958 2.089 6.628
103 HA ASN 15 HA ASN 15 -1.442 1.215 7.420
104 HB2 ASN 15 HB2 ASN 15 -0.818 0.830 5.099
105 HB3 ASN 15 HB3 ASN 15 -1.550 2.348 4.574
106 HD21 ASN 15 HD21 ASN 15 -0.290 4.221 4.677
107 HD22 ASN 15 HD22 ASN 15 1.327 4.260 5.276
108 H CYS 16 H CYS 16 -2.533 4.094 5.531
109 HA CYS 16 HA CYS 16 -1.257 5.828 7.533
110 HB2 CYS 16 HB2 CYS 16 -1.522 7.594 5.780
111 HB3 CYS 16 HB3 CYS 16 -0.679 6.170 5.192
112 H GLN 17 H GLN 17 -4.390 4.754 6.906
113 HA GLN 17 HA GLN 17 -6.469 5.272 7.536
114 HB2 GLN 17 HB2 GLN 17 -5.157 7.161 9.534
115 HB3 GLN 17 HB3 GLN 17 -6.846 6.678 9.561
116 HG2 GLN 17 HG2 GLN 17 -6.169 4.336 10.001
117 HG3 GLN 17 HG3 GLN 17 -4.477 4.833 9.969
118 HE21 GLN 17 HE21 GLN 17 -7.481 5.017 11.779
119 HE22 GLN 17 HE22 GLN 17 -6.782 5.533 13.269
120 H THR 18 H THR 18 -6.816 6.198 5.409
121 HA THR 18 HA THR 18 -7.734 8.978 5.629
122 HB THR 18 HB THR 18 -5.634 9.144 4.334
123 HG1 THR 18 HG1 THR 18 -7.201 9.637 2.202
124 HG21 THR 18 HG21 THR 18 -5.394 8.158 2.084
125 HG22 THR 18 HG22 THR 18 -6.909 7.280 2.294
126 HG23 THR 18 HG23 THR 18 -5.523 6.898 3.316
127 H THR 19 H THR 19 -9.821 9.154 5.046
128 HA THR 19 HA THR 19 -11.250 6.734 4.303
129 HB THR 19 HB THR 19 -13.307 8.231 4.702
130 HG1 THR 19 HG1 THR 19 -12.969 10.258 5.469
131 HG21 THR 19 HG21 THR 19 -12.454 6.699 6.468
132 HG22 THR 19 HG22 THR 19 -13.063 8.201 7.165
133 HG23 THR 19 HG23 THR 19 -11.325 7.946 7.005
134 H THR 20 H THR 20 -10.077 9.507 2.649
135 HA THR 20 HA THR 20 -11.658 8.801 0.242
136 HB THR 20 HB THR 20 -11.554 11.235 -0.451
137 HG1 THR 20 HG1 THR 20 -10.508 11.494 2.176
138 HG21 THR 20 HG21 THR 20 -13.014 10.759 2.173
139 HG22 THR 20 HG22 THR 20 -13.630 10.348 0.570
140 HG23 THR 20 HG23 THR 20 -13.367 12.037 1.008
141 H THR 21 H THR 21 -10.535 8.559 -1.589
142 HA THR 21 HA THR 21 -7.991 9.744 -2.169
143 HB THR 21 HB THR 21 -7.197 7.807 -0.795
144 HG1 THR 21 HG1 THR 21 -5.832 8.402 -2.460
145 HG21 THR 21 HG21 THR 21 -9.066 6.236 -1.223
146 HG22 THR 21 HG22 THR 21 -7.501 5.496 -1.565
147 HG23 THR 21 HG23 THR 21 -8.523 6.052 -2.893
148 H THR 22 H THR 22 -7.264 9.017 -4.400
149 HA THR 22 HA THR 22 -9.465 9.124 -6.226
150 HB THR 22 HB THR 22 -6.493 8.708 -6.792
151 HG1 THR 22 HG1 THR 22 -6.600 11.032 -7.166
152 HG21 THR 22 HG21 THR 22 -8.691 9.750 -8.629
153 HG22 THR 22 HG22 THR 22 -7.913 8.170 -8.764
154 HG23 THR 22 HG23 THR 22 -6.976 9.642 -9.022
155 H LEU 23 H LEU 23 -7.349 6.556 -5.042
156 HA LEU 23 HA LEU 23 -8.744 4.523 -6.645
157 HB2 LEU 23 HB2 LEU 23 -6.827 5.293 -8.029
158 HB3 LEU 23 HB3 LEU 23 -5.725 4.947 -6.711
159 HG LEU 23 HG LEU 23 -6.271 2.505 -6.924
160 HD11 LEU 23 HD11 LEU 23 -7.867 3.345 -9.357
161 HD12 LEU 23 HD12 LEU 23 -8.512 2.664 -7.862
162 HD13 LEU 23 HD13 LEU 23 -7.477 1.686 -8.895
163 HD21 LEU 23 HD21 LEU 23 -4.288 3.409 -8.045
164 HD22 LEU 23 HD22 LEU 23 -5.247 3.800 -9.476
165 HD23 LEU 23 HD23 LEU 23 -5.008 2.116 -9.003
166 H TRP 24 H TRP 24 -9.258 2.908 -5.325
167 HA TRP 24 HA TRP 24 -7.756 2.349 -2.867
168 HB2 TRP 24 HB2 TRP 24 -10.435 1.331 -3.912
169 HB3 TRP 24 HB3 TRP 24 -9.664 0.673 -2.468
170 HD1 TRP 24 HD1 TRP 24 -11.946 3.453 -3.506
171 HE1 TRP 24 HE1 TRP 24 -12.301 5.081 -1.547
172 HE3 TRP 24 HE3 TRP 24 -8.261 1.777 -0.366
173 HZ2 TRP 24 HZ2 TRP 24 -11.171 5.598 0.987
174 HZ3 TRP 24 HZ3 TRP 24 -7.955 2.900 1.799
175 HH2 TRP 24 HH2 TRP 24 -9.383 4.770 2.462
176 H ARG 25 H ARG 25 -6.391 0.718 -2.691
177 HA ARG 25 HA ARG 25 -6.196 -1.406 -4.742
178 HB2 ARG 25 HB2 ARG 25 -3.912 0.250 -3.574
179 HB3 ARG 25 HB3 ARG 25 -3.694 -1.178 -4.585
180 HG2 ARG 25 HG2 ARG 25 -4.770 -0.050 -6.473
181 HG3 ARG 25 HG3 ARG 25 -5.078 1.375 -5.474
182 HD2 ARG 25 HD2 ARG 25 -3.126 1.716 -6.905
183 HD3 ARG 25 HD3 ARG 25 -2.660 1.713 -5.201
184 HE ARG 25 HE ARG 25 -2.372 -0.884 -6.297
185 HH11 ARG 25 HH11 ARG 25 -0.816 2.275 -6.358
186 HH12 ARG 25 HH12 ARG 25 0.749 1.623 -6.725
187 HH21 ARG 25 HH21 ARG 25 -0.331 -1.710 -6.788
188 HH22 ARG 25 HH22 ARG 25 1.026 -0.640 -6.970
189 H ARG 26 H ARG 26 -4.688 -3.173 -3.957
190 HA ARG 26 HA ARG 26 -5.086 -3.717 -1.065
191 HB2 ARG 26 HB2 ARG 26 -4.856 -5.665 -3.417
192 HB3 ARG 26 HB3 ARG 26 -4.786 -6.163 -1.733
193 HG2 ARG 26 HG2 ARG 26 -7.011 -6.606 -2.506
194 HG3 ARG 26 HG3 ARG 26 -7.102 -5.227 -1.412
195 HD2 ARG 26 HD2 ARG 26 -7.088 -3.728 -3.450
196 HD3 ARG 26 HD3 ARG 26 -7.224 -5.179 -4.445
197 HE ARG 26 HE ARG 26 -9.300 -5.293 -2.628
198 HH11 ARG 26 HH11 ARG 26 -8.294 -3.109 -5.210
199 HH12 ARG 26 HH12 ARG 26 -9.908 -2.589 -5.568
200 HH21 ARG 26 HH21 ARG 26 -11.408 -4.590 -3.094
201 HH22 ARG 26 HH22 ARG 26 -11.674 -3.435 -4.361
202 H ASN 27 H ASN 27 -3.308 -3.844 0.146
203 HA ASN 27 HA ASN 27 -0.676 -3.493 -0.967
204 HB2 ASN 27 HB2 ASN 27 0.103 -3.500 1.396
205 HB3 ASN 27 HB3 ASN 27 -1.246 -2.398 1.150
206 HD21 ASN 27 HD21 ASN 27 -1.578 -2.441 3.432
207 HD22 ASN 27 HD22 ASN 27 -2.368 -3.773 4.196
208 H ALA 28 H ALA 28 1.000 -5.066 0.566
209 HA ALA 28 HA ALA 28 1.241 -7.445 -0.896
210 HB1 ALA 28 HB1 ALA 28 3.031 -8.032 0.688
211 HB2 ALA 28 HB2 ALA 28 2.455 -6.797 1.816
212 HB3 ALA 28 HB3 ALA 28 3.117 -6.326 0.251
213 H GLU 29 H GLU 29 -0.588 -6.803 1.971
214 HA GLU 29 HA GLU 29 -0.966 -9.627 2.713
215 HB2 GLU 29 HB2 GLU 29 -1.854 -7.045 4.071
216 HB3 GLU 29 HB3 GLU 29 -2.023 -8.667 4.741
217 HG2 GLU 29 HG2 GLU 29 0.437 -8.907 4.810
218 HG3 GLU 29 HG3 GLU 29 0.608 -7.300 4.103
219 H GLY 30 H GLY 30 -2.500 -7.237 0.822
220 HA2 GLY 30 HA2 GLY 30 -4.408 -7.586 -0.513
221 HA3 GLY 30 HA3 GLY 30 -4.947 -8.852 0.578
222 H GLU 31 H GLU 31 -3.974 -6.105 2.263
223 HA GLU 31 HA GLU 31 -6.649 -5.470 3.131
224 HB2 GLU 31 HB2 GLU 31 -3.996 -4.158 3.844
225 HB3 GLU 31 HB3 GLU 31 -5.515 -3.917 4.693
226 HG2 GLU 31 HG2 GLU 31 -3.977 -6.514 4.521
227 HG3 GLU 31 HG3 GLU 31 -4.000 -5.427 5.906
228 HA PRO 32 HA PRO 32 -7.361 -2.182 0.196
229 HB2 PRO 32 HB2 PRO 32 -9.437 -0.848 1.385
230 HB3 PRO 32 HB3 PRO 32 -9.623 -2.470 0.689
231 HG2 PRO 32 HG2 PRO 32 -9.254 -1.691 3.565
232 HG3 PRO 32 HG3 PRO 32 -10.358 -2.894 2.860
233 HD2 PRO 32 HD2 PRO 32 -7.972 -3.595 4.029
234 HD3 PRO 32 HD3 PRO 32 -8.710 -4.526 2.707
235 H VAL 33 H VAL 33 -5.369 -1.116 0.407
236 HA VAL 33 HA VAL 33 -5.187 1.249 2.157
237 HB VAL 33 HB VAL 33 -2.852 1.458 1.279
238 HG11 VAL 33 HG11 VAL 33 -1.901 -0.490 2.445
239 HG12 VAL 33 HG12 VAL 33 -3.472 -1.295 2.413
240 HG13 VAL 33 HG13 VAL 33 -3.256 0.190 3.345
241 HG21 VAL 33 HG21 VAL 33 -1.831 -0.356 -0.069
242 HG22 VAL 33 HG22 VAL 33 -3.122 0.458 -0.956
243 HG23 VAL 33 HG23 VAL 33 -3.410 -1.128 -0.235
244 H CYS 34 H CYS 34 -4.587 3.330 1.167
245 HA CYS 34 HA CYS 34 -5.913 3.991 -1.298
246 HB2 CYS 34 HB2 CYS 34 -4.904 6.254 -0.924
247 HB3 CYS 34 HB3 CYS 34 -5.747 5.648 0.505
248 H ASN 35 H ASN 35 -4.743 5.035 -3.137
249 HA ASN 35 HA ASN 35 -2.946 3.286 -4.323
250 HB2 ASN 35 HB2 ASN 35 -4.341 4.836 -5.645
251 HB3 ASN 35 HB3 ASN 35 -3.411 6.209 -5.051
252 HD21 ASN 35 HD21 ASN 35 -2.738 6.853 -7.067
253 HD22 ASN 35 HD22 ASN 35 -1.620 5.973 -8.044
254 H ALA 36 H ALA 36 -2.273 6.336 -2.612
255 HA ALA 36 HA ALA 36 0.455 6.627 -3.258
256 HB1 ALA 36 HB1 ALA 36 0.534 8.220 -1.395
257 HB2 ALA 36 HB2 ALA 36 -0.997 7.594 -0.771
258 HB3 ALA 36 HB3 ALA 36 -0.947 8.425 -2.326
259 H CYS 37 H CYS 37 -1.095 4.734 -0.708
260 HA CYS 37 HA CYS 37 1.389 4.055 0.647
261 HB2 CYS 37 HB2 CYS 37 -1.417 2.916 0.975
262 HB3 CYS 37 HB3 CYS 37 -0.049 2.570 2.040
263 H GLY 38 H GLY 38 -0.729 2.654 -1.789
264 HA2 GLY 38 HA2 GLY 38 0.524 0.089 -2.006
265 HA3 GLY 38 HA3 GLY 38 -0.529 0.844 -3.190
266 H LEU 39 H LEU 39 1.132 3.246 -3.445
267 HA LEU 39 HA LEU 39 3.002 2.474 -5.467
268 HB2 LEU 39 HB2 LEU 39 2.600 5.138 -4.026
269 HB3 LEU 39 HB3 LEU 39 3.682 4.919 -5.392
270 HG LEU 39 HG LEU 39 0.655 4.607 -5.481
271 HD11 LEU 39 HD11 LEU 39 0.660 6.683 -6.787
272 HD12 LEU 39 HD12 LEU 39 2.407 6.832 -6.570
273 HD13 LEU 39 HD13 LEU 39 1.330 6.939 -5.176
274 HD21 LEU 39 HD21 LEU 39 2.674 4.468 -7.739
275 HD22 LEU 39 HD22 LEU 39 0.916 4.462 -7.916
276 HD23 LEU 39 HD23 LEU 39 1.719 3.127 -7.096
277 H TYR 40 H TYR 40 3.244 3.764 -2.177
278 HA TYR 40 HA TYR 40 6.026 3.954 -1.944
279 HB2 TYR 40 HB2 TYR 40 4.160 4.925 -0.412
280 HB3 TYR 40 HB3 TYR 40 4.157 3.363 0.393
281 HD1 TYR 40 HD1 TYR 40 6.366 2.572 1.514
282 HD2 TYR 40 HD2 TYR 40 5.777 6.578 0.144
283 HE1 TYR 40 HE1 TYR 40 8.230 3.333 2.925
284 HE2 TYR 40 HE2 TYR 40 7.639 7.334 1.546
285 HH TYR 40 HH TYR 40 8.870 6.651 3.519
286 H MET 41 H MET 41 3.786 1.304 -1.179
287 HA MET 41 HA MET 41 5.708 -0.508 -0.136
288 HB2 MET 41 HB2 MET 41 3.412 -0.884 0.417
289 HB3 MET 41 HB3 MET 41 2.918 -0.907 -1.270
290 HG2 MET 41 HG2 MET 41 3.807 -3.071 -1.617
291 HG3 MET 41 HG3 MET 41 4.798 -2.998 -0.163
292 HE1 MET 41 HE1 MET 41 4.026 -3.589 2.193
293 HE2 MET 41 HE2 MET 41 2.338 -3.687 2.693
294 HE3 MET 41 HE3 MET 41 3.019 -2.141 2.187
295 H LYS 42 H LYS 42 4.396 -0.040 -3.429
296 HA LYS 42 HA LYS 42 5.694 -2.296 -4.603
297 HB2 LYS 42 HB2 LYS 42 3.714 -1.150 -5.593
298 HB3 LYS 42 HB3 LYS 42 4.700 0.268 -5.929
299 HG2 LYS 42 HG2 LYS 42 4.384 -1.005 -7.962
300 HG3 LYS 42 HG3 LYS 42 6.084 -1.096 -7.491
301 HD2 LYS 42 HD2 LYS 42 5.709 -3.362 -6.569
302 HD3 LYS 42 HD3 LYS 42 3.996 -3.262 -6.987
303 HE2 LYS 42 HE2 LYS 42 4.617 -3.088 -9.389
304 HE3 LYS 42 HE3 LYS 42 6.320 -3.244 -8.945
305 HZ1 LYS 42 HZ1 LYS 42 4.201 -5.281 -8.495
306 HZ2 LYS 42 HZ2 LYS 42 5.808 -5.436 -8.001
307 HZ3 LYS 42 HZ3 LYS 42 5.434 -5.361 -9.647
308 H LEU 43 H LEU 43 6.735 0.963 -3.900
309 HA LEU 43 HA LEU 43 9.128 0.889 -5.535
310 HB2 LEU 43 HB2 LEU 43 8.030 2.869 -3.516
311 HB3 LEU 43 HB3 LEU 43 9.582 3.100 -4.297
312 HG LEU 43 HG LEU 43 6.937 2.918 -5.797
313 HD11 LEU 43 HD11 LEU 43 8.531 5.399 -5.066
314 HD12 LEU 43 HD12 LEU 43 6.969 4.926 -4.393
315 HD13 LEU 43 HD13 LEU 43 7.097 5.351 -6.097
316 HD21 LEU 43 HD21 LEU 43 8.216 3.766 -7.718
317 HD22 LEU 43 HD22 LEU 43 8.863 2.229 -7.151
318 HD23 LEU 43 HD23 LEU 43 9.700 3.734 -6.760
319 H HIS 44 H HIS 44 8.348 0.476 -2.056
320 HA HIS 44 HA HIS 44 11.262 0.264 -1.436
321 HB2 HIS 44 HB2 HIS 44 9.121 1.556 0.328
322 HB3 HIS 44 HB3 HIS 44 10.846 1.461 0.678
323 HD1 HIS 44 HD1 HIS 44 12.376 2.726 -1.285
324 HD2 HIS 44 HD2 HIS 44 8.408 3.910 -0.868
325 HE1 HIS 44 HE1 HIS 44 12.195 4.922 -2.481
326 HE2 HIS 44 HE2 HIS 44 9.825 5.672 -2.122
327 H GLY 45 H GLY 45 8.631 -1.618 -1.633
328 HA2 GLY 45 HA2 GLY 45 8.309 -3.784 -0.883
329 HA3 GLY 45 HA3 GLY 45 9.628 -3.584 0.258
330 H VAL 46 H VAL 46 8.899 -1.585 1.841
331 HA VAL 46 HA VAL 46 6.784 -2.722 3.474
332 HB VAL 46 HB VAL 46 7.566 -1.153 5.195
333 HG11 VAL 46 HG11 VAL 46 9.871 -2.580 3.824
334 HG12 VAL 46 HG12 VAL 46 8.757 -3.276 5.003
335 HG13 VAL 46 HG13 VAL 46 9.875 -2.003 5.495
336 HG21 VAL 46 HG21 VAL 46 9.460 -0.041 3.084
337 HG22 VAL 46 HG22 VAL 46 9.507 0.368 4.802
338 HG23 VAL 46 HG23 VAL 46 8.104 0.813 3.827
339 HA PRO 47 HA PRO 47 3.733 0.478 2.545
340 HB2 PRO 47 HB2 PRO 47 2.619 0.641 5.217
341 HB3 PRO 47 HB3 PRO 47 1.999 -0.279 3.843
342 HG2 PRO 47 HG2 PRO 47 3.076 -1.370 6.180
343 HG3 PRO 47 HG3 PRO 47 2.802 -2.236 4.656
344 HD2 PRO 47 HD2 PRO 47 5.345 -1.152 5.778
345 HD3 PRO 47 HD3 PRO 47 5.082 -2.546 4.707
346 H ARG 48 H ARG 48 2.811 2.632 3.687
347 HA ARG 48 HA ARG 48 5.126 4.359 3.825
348 HB2 ARG 48 HB2 ARG 48 2.948 4.842 2.547
349 HB3 ARG 48 HB3 ARG 48 2.215 5.206 4.106
350 HG2 ARG 48 HG2 ARG 48 3.901 7.004 4.444
351 HG3 ARG 48 HG3 ARG 48 4.580 6.643 2.860
352 HD2 ARG 48 HD2 ARG 48 2.362 7.188 1.834
353 HD3 ARG 48 HD3 ARG 48 1.778 7.663 3.437
354 HE ARG 48 HE ARG 48 4.198 9.015 2.669
355 HH11 ARG 48 HH11 ARG 48 0.693 9.169 2.365
356 HH12 ARG 48 HH12 ARG 48 0.676 10.870 2.036
357 HH21 ARG 48 HH21 ARG 48 4.169 11.219 2.214
358 HH22 ARG 48 HH22 ARG 48 2.662 12.040 1.951
359 HA PRO 49 HA PRO 49 5.239 3.646 8.268
360 HB2 PRO 49 HB2 PRO 49 7.427 5.197 8.913
361 HB3 PRO 49 HB3 PRO 49 7.559 3.646 8.062
362 HG2 PRO 49 HG2 PRO 49 7.605 6.422 6.925
363 HG3 PRO 49 HG3 PRO 49 8.651 5.033 6.543
364 HD2 PRO 49 HD2 PRO 49 6.558 5.732 4.959
365 HD3 PRO 49 HD3 PRO 49 7.064 4.041 5.164
366 H LEU 50 H LEU 50 4.367 4.521 10.071
367 HA LEU 50 HA LEU 50 3.674 7.407 10.129
368 HB2 LEU 50 HB2 LEU 50 2.207 5.048 11.389
369 HB3 LEU 50 HB3 LEU 50 1.745 6.735 11.568
370 HG LEU 50 HG LEU 50 1.705 5.164 8.959
371 HD11 LEU 50 HD11 LEU 50 -0.030 4.437 10.526
372 HD12 LEU 50 HD12 LEU 50 -0.729 5.286 9.153
373 HD13 LEU 50 HD13 LEU 50 -0.588 6.101 10.709
374 HD21 LEU 50 HD21 LEU 50 2.183 7.536 8.549
375 HD22 LEU 50 HD22 LEU 50 0.779 8.006 9.512
376 HD23 LEU 50 HD23 LEU 50 0.559 7.120 8.000
377 H ALA 51 H ALA 51 3.182 8.053 12.506
378 HA ALA 51 HA ALA 51 5.044 6.927 14.474
379 HB1 ALA 51 HB1 ALA 51 6.046 9.138 14.934
380 HB2 ALA 51 HB2 ALA 51 5.117 9.848 13.610
381 HB3 ALA 51 HB3 ALA 51 6.360 8.641 13.271
382 H MET 52 H MET 52 3.021 9.865 14.028
383 HA MET 52 HA MET 52 1.655 9.291 16.599
384 HB2 MET 52 HB2 MET 52 3.070 11.389 16.478
385 HB3 MET 52 HB3 MET 52 2.006 11.991 15.217
386 HG2 MET 52 HG2 MET 52 0.109 11.935 16.832
387 HG3 MET 52 HG3 MET 52 1.229 11.406 18.088
388 HE1 MET 52 HE1 MET 52 3.858 13.220 17.374
389 HE2 MET 52 HE2 MET 52 3.246 12.961 19.011
390 HE3 MET 52 HE3 MET 52 3.553 14.597 18.426
391 H ARG 53 H ARG 53 0.451 7.790 15.089
392 HA ARG 53 HA ARG 53 -2.004 9.111 14.146
393 HB2 ARG 53 HB2 ARG 53 -0.235 7.297 12.501
394 HB3 ARG 53 HB3 ARG 53 -1.970 7.248 12.233
395 HG2 ARG 53 HG2 ARG 53 -0.275 9.757 12.022
396 HG3 ARG 53 HG3 ARG 53 -0.767 8.756 10.653
397 HD2 ARG 53 HD2 ARG 53 -3.120 9.246 11.082
398 HD3 ARG 53 HD3 ARG 53 -2.705 10.116 12.562
399 HE ARG 53 HE ARG 53 -1.411 11.250 10.291
400 HH11 ARG 53 HH11 ARG 53 -4.545 11.124 11.904
401 HH12 ARG 53 HH12 ARG 53 -5.059 12.662 11.285
402 HH21 ARG 53 HH21 ARG 53 -2.105 13.273 9.496
403 HH22 ARG 53 HH22 ARG 53 -3.676 13.876 9.921
404 H LYS 54 H LYS 54 -2.804 8.442 16.158
405 HA LYS 54 HA LYS 54 -3.969 5.729 16.055
406 HB2 LYS 54 HB2 LYS 54 -2.831 7.155 18.502
407 HB3 LYS 54 HB3 LYS 54 -3.988 5.837 18.643
408 HG2 LYS 54 HG2 LYS 54 -2.404 4.340 17.451
409 HG3 LYS 54 HG3 LYS 54 -1.230 5.658 17.386
410 HD2 LYS 54 HD2 LYS 54 -1.082 5.692 19.831
411 HD3 LYS 54 HD3 LYS 54 -2.350 4.466 19.957
412 HE2 LYS 54 HE2 LYS 54 -0.114 3.472 20.266
413 HE3 LYS 54 HE3 LYS 54 -0.892 2.831 18.819
414 HZ1 LYS 54 HZ1 LYS 54 1.174 4.968 18.874
415 HZ2 LYS 54 HZ2 LYS 54 0.436 4.351 17.484
416 HZ3 LYS 54 HZ3 LYS 54 1.426 3.356 18.421
417 H GLU 55 H GLU 55 -4.972 8.009 14.892
418 HA GLU 55 HA GLU 55 -6.859 9.155 14.531
419 HB2 GLU 55 HB2 GLU 55 -7.978 7.021 14.829
420 HB3 GLU 55 HB3 GLU 55 -7.972 7.197 16.578
421 HG2 GLU 55 HG2 GLU 55 -10.206 7.569 15.527
422 HG3 GLU 55 HG3 GLU 55 -9.642 8.930 16.493
423 H GLY 56 H GLY 56 -7.413 8.671 18.025
424 HA2 GLY 56 HA2 GLY 56 -6.517 11.140 18.993
425 HA3 GLY 56 HA3 GLY 56 -8.206 11.347 18.525
426 H ILE 57 H ILE 57 -7.043 11.456 21.199
427 HA ILE 57 HA ILE 57 -7.325 10.810 23.329
428 HB ILE 57 HB ILE 57 -9.829 9.340 22.396
429 HG12 ILE 57 HG12 ILE 57 -9.923 11.671 21.586
430 HG13 ILE 57 HG13 ILE 57 -11.088 11.439 22.880
431 HG21 ILE 57 HG21 ILE 57 -10.669 9.725 24.688
432 HG22 ILE 57 HG22 ILE 57 -9.139 10.487 25.126
433 HG23 ILE 57 HG23 ILE 57 -9.180 8.775 24.702
434 HD11 ILE 57 HD11 ILE 57 -9.994 13.583 23.053
435 HD12 ILE 57 HD12 ILE 57 -8.412 12.812 23.118
436 HD13 ILE 57 HD13 ILE 57 -9.564 12.577 24.437
437 H GLN 58 H GLN 58 -5.442 9.604 23.328
438 HA GLN 58 HA GLN 58 -5.360 6.803 22.571
439 HB2 GLN 58 HB2 GLN 58 -3.224 8.609 23.788
440 HB3 GLN 58 HB3 GLN 58 -2.947 6.955 23.257
441 HG2 GLN 58 HG2 GLN 58 -2.099 8.382 21.545
442 HG3 GLN 58 HG3 GLN 58 -3.587 7.676 20.920
443 HE21 GLN 58 HE21 GLN 58 -3.867 9.334 19.402
444 HE22 GLN 58 HE22 GLN 58 -4.308 10.944 19.844
445 H THR 59 H THR 59 -5.755 8.673 25.471
446 HA THR 59 HA THR 59 -5.199 6.529 27.350
447 HB THR 59 HB THR 59 -6.083 8.267 29.025
448 HG1 THR 59 HG1 THR 59 -7.177 9.838 28.140
449 HG21 THR 59 HG21 THR 59 -4.117 9.749 28.847
450 HG22 THR 59 HG22 THR 59 -3.821 9.172 27.204
451 HG23 THR 59 HG23 THR 59 -3.660 8.072 28.578
452 H ARG 60 H ARG 60 -7.589 6.718 25.251
453 HA ARG 60 HA ARG 60 -10.014 6.574 26.695
454 HB2 ARG 60 HB2 ARG 60 -9.532 6.922 24.110
455 HB3 ARG 60 HB3 ARG 60 -9.567 5.170 24.025
456 HG2 ARG 60 HG2 ARG 60 -11.848 6.882 25.062
457 HG3 ARG 60 HG3 ARG 60 -11.716 6.329 23.398
458 HD2 ARG 60 HD2 ARG 60 -11.991 4.022 24.075
459 HD3 ARG 60 HD3 ARG 60 -11.884 4.456 25.785
460 HE ARG 60 HE ARG 60 -14.006 5.876 24.593
461 HH11 ARG 60 HH11 ARG 60 -13.244 2.561 25.554
462 HH12 ARG 60 HH12 ARG 60 -14.906 2.146 25.813
463 HH21 ARG 60 HH21 ARG 60 -16.157 5.307 24.987
464 HH22 ARG 60 HH22 ARG 60 -16.549 3.696 25.494
465 H LYS 61 H LYS 61 -10.167 5.103 28.309
466 HA LYS 61 HA LYS 61 -10.383 3.188 29.455
467 HB2 LYS 61 HB2 LYS 61 -11.888 2.631 27.526
468 HB3 LYS 61 HB3 LYS 61 -10.547 1.850 26.712
469 HG2 LYS 61 HG2 LYS 61 -11.398 0.883 29.446
470 HG3 LYS 61 HG3 LYS 61 -12.340 0.425 28.030
471 HD2 LYS 61 HD2 LYS 61 -10.312 -0.606 27.027
472 HD3 LYS 61 HD3 LYS 61 -9.379 -0.153 28.456
473 HE2 LYS 61 HE2 LYS 61 -10.758 -1.613 29.854
474 HE3 LYS 61 HE3 LYS 61 -11.780 -2.014 28.471
475 HZ1 LYS 61 HZ1 LYS 61 -9.911 -3.051 27.398
476 HZ2 LYS 61 HZ2 LYS 61 -10.116 -3.722 28.937
477 HZ3 LYS 61 HZ3 LYS 61 -8.882 -2.608 28.660
478 H ARG 62 H ARG 62 -8.405 3.210 30.446
479 HA ARG 62 HA ARG 62 -5.963 2.211 29.284
480 HB2 ARG 62 HB2 ARG 62 -6.812 3.132 32.047
481 HB3 ARG 62 HB3 ARG 62 -5.286 2.277 31.860
482 HG2 ARG 62 HG2 ARG 62 -5.957 4.759 30.257
483 HG3 ARG 62 HG3 ARG 62 -5.162 4.813 31.831
484 HD2 ARG 62 HD2 ARG 62 -3.312 3.420 30.949
485 HD3 ARG 62 HD3 ARG 62 -4.105 3.360 29.378
486 HE ARG 62 HE ARG 62 -3.174 5.358 28.899
487 HH11 ARG 62 HH11 ARG 62 -3.368 5.246 32.427
488 HH12 ARG 62 HH12 ARG 62 -2.554 6.762 32.621
489 HH21 ARG 62 HH21 ARG 62 -2.040 7.277 29.209
490 HH22 ARG 62 HH22 ARG 62 -1.807 7.904 30.807
491 H LYS 63 H LYS 63 -4.773 0.396 30.022
492 HA LYS 63 HA LYS 63 -4.273 -1.640 30.777
493 HB2 LYS 63 HB2 LYS 63 -5.313 -1.185 32.909
494 HB3 LYS 63 HB3 LYS 63 -6.920 -1.480 32.273
495 HG2 LYS 63 HG2 LYS 63 -4.952 -3.747 32.181
496 HG3 LYS 63 HG3 LYS 63 -5.590 -3.291 33.759
497 HD2 LYS 63 HD2 LYS 63 -7.756 -4.000 33.263
498 HD3 LYS 63 HD3 LYS 63 -7.584 -3.698 31.530
499 HE2 LYS 63 HE2 LYS 63 -6.302 -5.989 33.053
500 HE3 LYS 63 HE3 LYS 63 -7.744 -6.097 32.040
501 HZ1 LYS 63 HZ1 LYS 63 -5.884 -6.815 30.766
502 HZ2 LYS 63 HZ2 LYS 63 -4.987 -5.438 31.149
503 HZ3 LYS 63 HZ3 LYS 63 -6.346 -5.305 30.157
Start of MODEL 13
1 H1 SER 1 H1 SER 1 -8.976 22.622 1.603
2 H2 SER 1 H2 SER 1 -10.339 23.550 1.968
3 H3 SER 1 H3 SER 1 -9.359 23.966 0.654
4 HA SER 1 HA SER 1 -9.936 21.946 -0.480
5 HB2 SER 1 HB2 SER 1 -10.291 20.520 1.510
6 HB3 SER 1 HB3 SER 1 -11.713 21.459 1.957
7 HG SER 1 HG SER 1 -11.369 19.725 -0.261
8 H HIS 2 H HIS 2 -11.515 22.183 -2.062
9 HA HIS 2 HA HIS 2 -13.349 24.419 -1.952
10 HB2 HIS 2 HB2 HIS 2 -12.911 22.254 -4.057
11 HB3 HIS 2 HB3 HIS 2 -14.056 23.580 -4.250
12 HD2 HIS 2 HD2 HIS 2 -12.641 26.218 -3.950
13 HE1 HIS 2 HE1 HIS 2 -9.240 24.566 -5.852
14 HE2 HIS 2 HE2 HIS 2 -10.430 26.708 -5.208
15 H MET 3 H MET 3 -13.486 21.005 -1.334
16 HA MET 3 HA MET 3 -16.391 20.840 -1.329
17 HB2 MET 3 HB2 MET 3 -14.997 18.883 -1.994
18 HB3 MET 3 HB3 MET 3 -14.272 18.844 -0.392
19 HG2 MET 3 HG2 MET 3 -16.477 18.326 0.593
20 HG3 MET 3 HG3 MET 3 -17.197 18.355 -1.021
21 HE1 MET 3 HE1 MET 3 -18.207 15.934 -0.653
22 HE2 MET 3 HE2 MET 3 -17.506 15.844 0.965
23 HE3 MET 3 HE3 MET 3 -17.251 14.529 -0.183
24 H SER 4 H SER 4 -13.867 20.294 1.170
25 HA SER 4 HA SER 4 -13.730 20.614 3.388
26 HB2 SER 4 HB2 SER 4 -15.518 23.004 2.781
27 HB3 SER 4 HB3 SER 4 -14.651 22.764 4.300
28 HG SER 4 HG SER 4 -13.746 23.856 2.053
29 H ALA 5 H ALA 5 -15.661 18.742 2.527
30 HA ALA 5 HA ALA 5 -17.562 18.745 4.805
31 HB1 ALA 5 HB1 ALA 5 -19.274 17.724 3.350
32 HB2 ALA 5 HB2 ALA 5 -18.197 17.860 1.956
33 HB3 ALA 5 HB3 ALA 5 -18.806 19.314 2.751
34 H SER 6 H SER 6 -18.047 16.677 5.649
35 HA SER 6 HA SER 6 -15.867 14.854 5.655
36 HB2 SER 6 HB2 SER 6 -18.647 14.581 6.866
37 HB3 SER 6 HB3 SER 6 -17.276 13.528 7.226
38 HG SER 6 HG SER 6 -16.642 16.159 7.542
39 H ARG 7 H ARG 7 -15.537 13.856 3.688
40 HA ARG 7 HA ARG 7 -17.620 11.962 2.769
41 HB2 ARG 7 HB2 ARG 7 -16.567 13.246 0.957
42 HB3 ARG 7 HB3 ARG 7 -14.960 12.751 1.486
43 HG2 ARG 7 HG2 ARG 7 -15.465 10.411 0.913
44 HG3 ARG 7 HG3 ARG 7 -17.109 10.855 0.454
45 HD2 ARG 7 HD2 ARG 7 -14.634 11.958 -0.917
46 HD3 ARG 7 HD3 ARG 7 -15.496 10.517 -1.458
47 HE ARG 7 HE ARG 7 -17.022 13.000 -1.206
48 HH11 ARG 7 HH11 ARG 7 -15.472 10.661 -3.363
49 HH12 ARG 7 HH12 ARG 7 -16.317 11.235 -4.767
50 HH21 ARG 7 HH21 ARG 7 -18.097 13.733 -3.057
51 HH22 ARG 7 HH22 ARG 7 -17.803 12.977 -4.593
52 H ARG 8 H ARG 8 -17.577 10.283 4.170
53 HA ARG 8 HA ARG 8 -15.029 8.772 4.416
54 HB2 ARG 8 HB2 ARG 8 -17.311 8.889 6.445
55 HB3 ARG 8 HB3 ARG 8 -15.919 7.814 6.545
56 HG2 ARG 8 HG2 ARG 8 -14.516 10.031 6.449
57 HG3 ARG 8 HG3 ARG 8 -16.029 10.806 6.918
58 HD2 ARG 8 HD2 ARG 8 -14.695 8.559 8.460
59 HD3 ARG 8 HD3 ARG 8 -14.508 10.272 8.827
60 HE ARG 8 HE ARG 8 -17.126 8.892 8.932
61 HH11 ARG 8 HH11 ARG 8 -14.738 11.018 10.405
62 HH12 ARG 8 HH12 ARG 8 -15.730 11.394 11.781
63 HH21 ARG 8 HH21 ARG 8 -18.395 9.335 10.775
64 HH22 ARG 8 HH22 ARG 8 -17.813 10.431 11.989
65 H VAL 9 H VAL 9 -15.930 8.300 2.234
66 HA VAL 9 HA VAL 9 -17.943 6.122 2.220
67 HB VAL 9 HB VAL 9 -17.188 8.008 -0.077
68 HG11 VAL 9 HG11 VAL 9 -19.410 5.942 0.102
69 HG12 VAL 9 HG12 VAL 9 -17.952 5.821 -0.885
70 HG13 VAL 9 HG13 VAL 9 -19.153 7.062 -1.240
71 HG21 VAL 9 HG21 VAL 9 -19.390 9.069 0.245
72 HG22 VAL 9 HG22 VAL 9 -18.393 9.232 1.692
73 HG23 VAL 9 HG23 VAL 9 -19.694 8.040 1.649
74 H GLY 10 H GLY 10 -17.455 4.271 1.020
75 HA2 GLY 10 HA2 GLY 10 -16.158 2.825 -0.289
76 HA3 GLY 10 HA3 GLY 10 -14.795 3.931 -0.178
77 H LEU 11 H LEU 11 -13.213 3.352 1.180
78 HA LEU 11 HA LEU 11 -13.729 1.451 3.397
79 HB2 LEU 11 HB2 LEU 11 -11.523 1.324 1.284
80 HB3 LEU 11 HB3 LEU 11 -11.547 0.324 2.731
81 HG LEU 11 HG LEU 11 -13.688 0.254 0.562
82 HD11 LEU 11 HD11 LEU 11 -12.743 -1.861 -0.152
83 HD12 LEU 11 HD12 LEU 11 -11.462 -1.734 1.056
84 HD13 LEU 11 HD13 LEU 11 -11.537 -0.582 -0.281
85 HD21 LEU 11 HD21 LEU 11 -13.251 -1.546 2.967
86 HD22 LEU 11 HD22 LEU 11 -14.448 -1.803 1.694
87 HD23 LEU 11 HD23 LEU 11 -14.570 -0.392 2.739
88 H SER 12 H SER 12 -11.174 1.294 4.377
89 HA SER 12 HA SER 12 -10.272 4.077 4.863
90 HB2 SER 12 HB2 SER 12 -10.354 1.808 6.909
91 HB3 SER 12 HB3 SER 12 -9.808 3.456 7.198
92 HG SER 12 HG SER 12 -12.441 2.862 6.328
93 H CYS 13 H CYS 13 -8.060 4.340 4.635
94 HA CYS 13 HA CYS 13 -6.438 2.374 3.396
95 HB2 CYS 13 HB2 CYS 13 -6.131 4.883 3.271
96 HB3 CYS 13 HB3 CYS 13 -5.511 4.846 4.899
97 H ALA 14 H ALA 14 -5.591 0.616 4.362
98 HA ALA 14 HA ALA 14 -5.637 0.015 7.082
99 HB1 ALA 14 HB1 ALA 14 -5.524 -1.684 5.300
100 HB2 ALA 14 HB2 ALA 14 -4.253 -1.938 6.503
101 HB3 ALA 14 HB3 ALA 14 -3.862 -1.208 4.944
102 H ASN 15 H ASN 15 -3.220 1.717 5.206
103 HA ASN 15 HA ASN 15 -1.288 1.775 7.411
104 HB2 ASN 15 HB2 ASN 15 -0.374 1.494 5.177
105 HB3 ASN 15 HB3 ASN 15 -1.208 2.927 4.588
106 HD21 ASN 15 HD21 ASN 15 -0.308 4.939 4.969
107 HD22 ASN 15 HD22 ASN 15 1.233 5.179 5.692
108 H CYS 16 H CYS 16 -3.158 4.200 5.487
109 HA CYS 16 HA CYS 16 -2.654 6.247 7.589
110 HB2 CYS 16 HB2 CYS 16 -2.240 7.897 5.827
111 HB3 CYS 16 HB3 CYS 16 -1.163 6.527 5.584
112 H GLN 17 H GLN 17 -4.933 4.786 7.612
113 HA GLN 17 HA GLN 17 -7.327 5.140 6.897
114 HB2 GLN 17 HB2 GLN 17 -6.484 6.079 9.655
115 HB3 GLN 17 HB3 GLN 17 -8.135 5.655 9.210
116 HG2 GLN 17 HG2 GLN 17 -7.483 3.345 8.798
117 HG3 GLN 17 HG3 GLN 17 -5.788 3.734 9.091
118 HE21 GLN 17 HE21 GLN 17 -8.929 3.287 10.584
119 HE22 GLN 17 HE22 GLN 17 -8.355 3.138 12.206
120 H THR 18 H THR 18 -7.473 6.730 5.317
121 HA THR 18 HA THR 18 -8.044 9.508 6.145
122 HB THR 18 HB THR 18 -6.314 9.345 4.440
123 HG1 THR 18 HG1 THR 18 -8.770 10.218 3.253
124 HG21 THR 18 HG21 THR 18 -6.840 7.136 3.475
125 HG22 THR 18 HG22 THR 18 -6.700 8.355 2.207
126 HG23 THR 18 HG23 THR 18 -8.294 7.800 2.720
127 H THR 19 H THR 19 -9.511 6.595 5.326
128 HA THR 19 HA THR 19 -11.529 5.812 4.826
129 HB THR 19 HB THR 19 -13.525 7.035 5.778
130 HG1 THR 19 HG1 THR 19 -11.702 8.910 6.845
131 HG21 THR 19 HG21 THR 19 -11.145 6.814 7.655
132 HG22 THR 19 HG22 THR 19 -12.202 5.478 7.188
133 HG23 THR 19 HG23 THR 19 -12.844 6.827 8.131
134 H THR 20 H THR 20 -10.330 7.946 2.870
135 HA THR 20 HA THR 20 -12.066 7.413 0.741
136 HB THR 20 HB THR 20 -13.505 9.177 1.766
137 HG1 THR 20 HG1 THR 20 -13.767 9.147 -0.370
138 HG21 THR 20 HG21 THR 20 -11.208 11.090 1.230
139 HG22 THR 20 HG22 THR 20 -11.735 10.566 2.832
140 HG23 THR 20 HG23 THR 20 -12.817 11.522 1.816
141 H THR 21 H THR 21 -11.073 7.924 -1.221
142 HA THR 21 HA THR 21 -8.799 9.605 -1.532
143 HB THR 21 HB THR 21 -7.802 7.660 -0.177
144 HG1 THR 21 HG1 THR 21 -6.416 8.902 -1.395
145 HG21 THR 21 HG21 THR 21 -8.219 6.095 -2.754
146 HG22 THR 21 HG22 THR 21 -9.072 5.796 -1.238
147 HG23 THR 21 HG23 THR 21 -7.330 5.545 -1.333
148 H THR 22 H THR 22 -7.610 8.711 -3.710
149 HA THR 22 HA THR 22 -9.645 7.850 -5.673
150 HB THR 22 HB THR 22 -6.881 9.058 -6.185
151 HG1 THR 22 HG1 THR 22 -8.521 10.446 -5.118
152 HG21 THR 22 HG21 THR 22 -7.715 9.428 -8.472
153 HG22 THR 22 HG22 THR 22 -9.263 8.693 -8.057
154 HG23 THR 22 HG23 THR 22 -7.798 7.709 -8.080
155 H LEU 23 H LEU 23 -9.579 5.704 -6.101
156 HA LEU 23 HA LEU 23 -8.912 3.630 -6.637
157 HB2 LEU 23 HB2 LEU 23 -7.293 4.711 -8.169
158 HB3 LEU 23 HB3 LEU 23 -6.125 4.832 -6.863
159 HG LEU 23 HG LEU 23 -6.026 2.321 -6.764
160 HD11 LEU 23 HD11 LEU 23 -8.217 1.766 -7.673
161 HD12 LEU 23 HD12 LEU 23 -6.941 0.988 -8.604
162 HD13 LEU 23 HD13 LEU 23 -7.755 2.413 -9.252
163 HD21 LEU 23 HD21 LEU 23 -5.325 3.535 -9.455
164 HD22 LEU 23 HD22 LEU 23 -4.678 2.030 -8.799
165 HD23 LEU 23 HD23 LEU 23 -4.323 3.558 -7.999
166 H TRP 24 H TRP 24 -9.446 2.619 -4.738
167 HA TRP 24 HA TRP 24 -7.582 2.291 -2.549
168 HB2 TRP 24 HB2 TRP 24 -10.166 0.811 -3.229
169 HB3 TRP 24 HB3 TRP 24 -9.192 0.460 -1.805
170 HD1 TRP 24 HD1 TRP 24 -12.099 2.504 -2.793
171 HE1 TRP 24 HE1 TRP 24 -12.616 4.286 -1.011
172 HE3 TRP 24 HE3 TRP 24 -7.756 2.248 -0.066
173 HZ2 TRP 24 HZ2 TRP 24 -11.374 5.428 1.227
174 HZ3 TRP 24 HZ3 TRP 24 -7.509 3.740 1.877
175 HH2 TRP 24 HH2 TRP 24 -9.283 5.299 2.511
176 H ARG 25 H ARG 25 -5.721 1.308 -3.049
177 HA ARG 25 HA ARG 25 -5.555 -0.956 -4.884
178 HB2 ARG 25 HB2 ARG 25 -3.368 0.367 -3.202
179 HB3 ARG 25 HB3 ARG 25 -3.118 -0.846 -4.455
180 HG2 ARG 25 HG2 ARG 25 -4.049 0.764 -6.139
181 HG3 ARG 25 HG3 ARG 25 -4.149 1.978 -4.861
182 HD2 ARG 25 HD2 ARG 25 -1.692 1.829 -4.537
183 HD3 ARG 25 HD3 ARG 25 -1.600 0.625 -5.826
184 HE ARG 25 HE ARG 25 -2.511 3.409 -6.252
185 HH11 ARG 25 HH11 ARG 25 -0.595 0.651 -7.342
186 HH12 ARG 25 HH12 ARG 25 -0.064 1.456 -8.784
187 HH21 ARG 25 HH21 ARG 25 -1.765 4.449 -8.122
188 HH22 ARG 25 HH22 ARG 25 -0.725 3.600 -9.220
189 H ARG 26 H ARG 26 -4.208 -2.863 -4.157
190 HA ARG 26 HA ARG 26 -4.921 -3.792 -1.430
191 HB2 ARG 26 HB2 ARG 26 -4.182 -5.382 -3.937
192 HB3 ARG 26 HB3 ARG 26 -4.491 -6.101 -2.362
193 HG2 ARG 26 HG2 ARG 26 -6.515 -4.561 -4.016
194 HG3 ARG 26 HG3 ARG 26 -6.410 -6.319 -3.902
195 HD2 ARG 26 HD2 ARG 26 -6.817 -6.100 -1.414
196 HD3 ARG 26 HD3 ARG 26 -7.101 -4.377 -1.674
197 HE ARG 26 HE ARG 26 -9.056 -4.894 -2.920
198 HH11 ARG 26 HH11 ARG 26 -7.644 -7.732 -1.380
199 HH12 ARG 26 HH12 ARG 26 -9.100 -8.666 -1.488
200 HH21 ARG 26 HH21 ARG 26 -10.948 -6.122 -3.067
201 HH22 ARG 26 HH22 ARG 26 -10.982 -7.744 -2.453
202 H ASN 27 H ASN 27 -3.269 -4.097 -0.001
203 HA ASN 27 HA ASN 27 -0.505 -3.743 -0.880
204 HB2 ASN 27 HB2 ASN 27 0.075 -3.762 1.520
205 HB3 ASN 27 HB3 ASN 27 -1.206 -2.609 1.183
206 HD21 ASN 27 HD21 ASN 27 -1.690 -2.639 3.442
207 HD22 ASN 27 HD22 ASN 27 -2.574 -3.942 4.146
208 H ALA 28 H ALA 28 1.030 -5.368 0.583
209 HA ALA 28 HA ALA 28 1.008 -7.821 -0.822
210 HB1 ALA 28 HB1 ALA 28 3.060 -6.739 0.003
211 HB2 ALA 28 HB2 ALA 28 2.954 -8.405 0.574
212 HB3 ALA 28 HB3 ALA 28 2.574 -7.068 1.667
213 H GLU 29 H GLU 29 -0.501 -6.913 2.156
214 HA GLU 29 HA GLU 29 -0.906 -9.625 3.150
215 HB2 GLU 29 HB2 GLU 29 -0.326 -7.695 4.644
216 HB3 GLU 29 HB3 GLU 29 -1.847 -6.921 4.215
217 HG2 GLU 29 HG2 GLU 29 -3.122 -8.616 5.352
218 HG3 GLU 29 HG3 GLU 29 -1.695 -9.632 5.555
219 H GLY 30 H GLY 30 -2.492 -7.354 1.108
220 HA2 GLY 30 HA2 GLY 30 -4.336 -7.875 -0.277
221 HA3 GLY 30 HA3 GLY 30 -4.908 -9.040 0.906
222 H GLU 31 H GLU 31 -4.026 -6.298 2.515
223 HA GLU 31 HA GLU 31 -6.756 -5.561 3.102
224 HB2 GLU 31 HB2 GLU 31 -4.067 -4.615 4.192
225 HB3 GLU 31 HB3 GLU 31 -5.619 -4.042 4.792
226 HG2 GLU 31 HG2 GLU 31 -4.683 -6.927 4.845
227 HG3 GLU 31 HG3 GLU 31 -4.643 -5.820 6.214
228 HA PRO 32 HA PRO 32 -7.076 -2.148 0.343
229 HB2 PRO 32 HB2 PRO 32 -8.970 -0.640 1.951
230 HB3 PRO 32 HB3 PRO 32 -9.325 -1.818 0.676
231 HG2 PRO 32 HG2 PRO 32 -9.886 -2.170 3.380
232 HG3 PRO 32 HG3 PRO 32 -9.810 -3.468 2.169
233 HD2 PRO 32 HD2 PRO 32 -7.746 -2.618 4.176
234 HD3 PRO 32 HD3 PRO 32 -8.157 -4.248 3.591
235 H VAL 33 H VAL 33 -5.116 -1.086 0.333
236 HA VAL 33 HA VAL 33 -4.750 1.235 2.150
237 HB VAL 33 HB VAL 33 -2.435 1.384 1.181
238 HG11 VAL 33 HG11 VAL 33 -2.810 0.229 3.310
239 HG12 VAL 33 HG12 VAL 33 -1.508 -0.547 2.409
240 HG13 VAL 33 HG13 VAL 33 -3.109 -1.293 2.460
241 HG21 VAL 33 HG21 VAL 33 -2.814 0.291 -0.994
242 HG22 VAL 33 HG22 VAL 33 -3.114 -1.253 -0.193
243 HG23 VAL 33 HG23 VAL 33 -1.509 -0.516 -0.121
244 H CYS 34 H CYS 34 -4.486 3.294 1.290
245 HA CYS 34 HA CYS 34 -5.855 3.984 -1.099
246 HB2 CYS 34 HB2 CYS 34 -5.142 6.288 -0.612
247 HB3 CYS 34 HB3 CYS 34 -5.683 5.500 0.874
248 H ASN 35 H ASN 35 -4.866 5.351 -2.809
249 HA ASN 35 HA ASN 35 -3.056 4.102 -4.422
250 HB2 ASN 35 HB2 ASN 35 -4.545 5.923 -5.154
251 HB3 ASN 35 HB3 ASN 35 -3.616 7.090 -4.220
252 HD21 ASN 35 HD21 ASN 35 -3.140 8.345 -5.993
253 HD22 ASN 35 HD22 ASN 35 -2.037 7.859 -7.228
254 H ALA 36 H ALA 36 -2.323 6.802 -2.186
255 HA ALA 36 HA ALA 36 0.379 7.201 -2.871
256 HB1 ALA 36 HB1 ALA 36 0.502 8.549 -0.816
257 HB2 ALA 36 HB2 ALA 36 -1.022 7.850 -0.260
258 HB3 ALA 36 HB3 ALA 36 -0.997 8.871 -1.697
259 H CYS 37 H CYS 37 -1.105 5.015 -0.524
260 HA CYS 37 HA CYS 37 1.349 4.292 0.839
261 HB2 CYS 37 HB2 CYS 37 -1.369 2.898 0.926
262 HB3 CYS 37 HB3 CYS 37 -0.017 2.589 2.007
263 H GLY 38 H GLY 38 -0.629 2.980 -1.752
264 HA2 GLY 38 HA2 GLY 38 0.677 0.460 -2.071
265 HA3 GLY 38 HA3 GLY 38 -0.386 1.246 -3.226
266 H LEU 39 H LEU 39 1.204 3.662 -3.425
267 HA LEU 39 HA LEU 39 3.016 3.003 -5.493
268 HB2 LEU 39 HB2 LEU 39 2.691 5.576 -3.893
269 HB3 LEU 39 HB3 LEU 39 3.717 5.432 -5.311
270 HG LEU 39 HG LEU 39 0.685 5.116 -5.293
271 HD11 LEU 39 HD11 LEU 39 2.392 7.375 -6.391
272 HD12 LEU 39 HD12 LEU 39 1.358 7.447 -4.962
273 HD13 LEU 39 HD13 LEU 39 0.637 7.223 -6.553
274 HD21 LEU 39 HD21 LEU 39 1.698 3.670 -6.974
275 HD22 LEU 39 HD22 LEU 39 2.624 5.027 -7.623
276 HD23 LEU 39 HD23 LEU 39 0.862 5.015 -7.743
277 H TYR 40 H TYR 40 3.480 3.875 -2.074
278 HA TYR 40 HA TYR 40 6.336 3.873 -2.129
279 HB2 TYR 40 HB2 TYR 40 4.960 5.073 -0.394
280 HB3 TYR 40 HB3 TYR 40 4.494 3.518 0.282
281 HD1 TYR 40 HD1 TYR 40 6.243 2.088 1.426
282 HD2 TYR 40 HD2 TYR 40 7.138 6.047 0.094
283 HE1 TYR 40 HE1 TYR 40 8.258 2.093 2.818
284 HE2 TYR 40 HE2 TYR 40 9.160 6.049 1.493
285 HH TYR 40 HH TYR 40 10.151 4.939 3.343
286 H MET 41 H MET 41 3.880 1.433 -1.244
287 HA MET 41 HA MET 41 5.629 -0.618 -0.390
288 HB2 MET 41 HB2 MET 41 3.333 -0.865 0.202
289 HB3 MET 41 HB3 MET 41 2.784 -0.668 -1.456
290 HG2 MET 41 HG2 MET 41 3.438 -2.868 -2.050
291 HG3 MET 41 HG3 MET 41 4.456 -3.048 -0.624
292 HE1 MET 41 HE1 MET 41 3.633 -3.850 1.692
293 HE2 MET 41 HE2 MET 41 1.952 -3.751 2.217
294 HE3 MET 41 HE3 MET 41 2.848 -2.277 1.847
295 H LYS 42 H LYS 42 4.428 0.257 -3.582
296 HA LYS 42 HA LYS 42 5.361 -1.910 -5.105
297 HB2 LYS 42 HB2 LYS 42 3.780 -0.215 -5.962
298 HB3 LYS 42 HB3 LYS 42 5.022 1.027 -5.859
299 HG2 LYS 42 HG2 LYS 42 4.686 0.305 -8.175
300 HG3 LYS 42 HG3 LYS 42 6.317 -0.092 -7.624
301 HD2 LYS 42 HD2 LYS 42 5.590 -2.441 -7.221
302 HD3 LYS 42 HD3 LYS 42 3.977 -2.036 -7.813
303 HE2 LYS 42 HE2 LYS 42 4.968 -1.466 -10.024
304 HE3 LYS 42 HE3 LYS 42 6.556 -1.943 -9.410
305 HZ1 LYS 42 HZ1 LYS 42 4.186 -3.724 -9.636
306 HZ2 LYS 42 HZ2 LYS 42 5.705 -4.179 -9.052
307 HZ3 LYS 42 HZ3 LYS 42 5.527 -3.722 -10.667
308 H LEU 43 H LEU 43 7.030 0.843 -3.764
309 HA LEU 43 HA LEU 43 9.450 0.466 -5.347
310 HB2 LEU 43 HB2 LEU 43 8.671 2.501 -3.226
311 HB3 LEU 43 HB3 LEU 43 10.181 2.534 -4.117
312 HG LEU 43 HG LEU 43 7.435 2.790 -5.411
313 HD11 LEU 43 HD11 LEU 43 7.860 4.726 -3.976
314 HD12 LEU 43 HD12 LEU 43 7.915 5.180 -5.676
315 HD13 LEU 43 HD13 LEU 43 9.417 4.997 -4.764
316 HD21 LEU 43 HD21 LEU 43 8.677 3.509 -7.409
317 HD22 LEU 43 HD22 LEU 43 9.116 1.873 -6.931
318 HD23 LEU 43 HD23 LEU 43 10.207 3.214 -6.575
319 H HIS 44 H HIS 44 8.424 0.135 -1.892
320 HA HIS 44 HA HIS 44 11.193 -0.714 -1.186
321 HB2 HIS 44 HB2 HIS 44 9.432 1.125 0.499
322 HB3 HIS 44 HB3 HIS 44 11.087 0.635 0.850
323 HD1 HIS 44 HD1 HIS 44 12.746 1.322 -1.388
324 HD2 HIS 44 HD2 HIS 44 9.404 3.636 -0.577
325 HE1 HIS 44 HE1 HIS 44 13.138 3.481 -2.580
326 HE2 HIS 44 HE2 HIS 44 11.026 4.798 -2.196
327 H GLY 45 H GLY 45 8.115 -1.852 -1.292
328 HA2 GLY 45 HA2 GLY 45 7.564 -4.038 -0.639
329 HA3 GLY 45 HA3 GLY 45 8.805 -3.990 0.601
330 H VAL 46 H VAL 46 8.202 -1.934 2.182
331 HA VAL 46 HA VAL 46 5.714 -2.703 3.496
332 HB VAL 46 HB VAL 46 6.414 -1.056 5.269
333 HG11 VAL 46 HG11 VAL 46 8.526 -3.109 4.537
334 HG12 VAL 46 HG12 VAL 46 7.060 -3.400 5.475
335 HG13 VAL 46 HG13 VAL 46 8.326 -2.356 6.123
336 HG21 VAL 46 HG21 VAL 46 7.668 0.545 3.878
337 HG22 VAL 46 HG22 VAL 46 8.910 -0.670 3.563
338 HG23 VAL 46 HG23 VAL 46 8.676 -0.048 5.199
339 HA PRO 47 HA PRO 47 3.277 0.856 2.068
340 HB2 PRO 47 HB2 PRO 47 2.016 1.215 4.730
341 HB3 PRO 47 HB3 PRO 47 1.286 0.642 3.219
342 HG2 PRO 47 HG2 PRO 47 1.690 -0.978 5.360
343 HG3 PRO 47 HG3 PRO 47 1.710 -1.572 3.683
344 HD2 PRO 47 HD2 PRO 47 4.038 -0.944 5.496
345 HD3 PRO 47 HD3 PRO 47 3.827 -2.295 4.356
346 H ARG 48 H ARG 48 2.719 3.214 2.816
347 HA ARG 48 HA ARG 48 5.209 4.518 3.201
348 HB2 ARG 48 HB2 ARG 48 3.136 5.285 1.835
349 HB3 ARG 48 HB3 ARG 48 2.514 5.913 3.356
350 HG2 ARG 48 HG2 ARG 48 4.428 7.415 3.565
351 HG3 ARG 48 HG3 ARG 48 5.180 6.710 2.131
352 HD2 ARG 48 HD2 ARG 48 3.259 7.506 0.762
353 HD3 ARG 48 HD3 ARG 48 2.573 8.273 2.203
354 HE ARG 48 HE ARG 48 5.259 9.139 1.751
355 HH11 ARG 48 HH11 ARG 48 1.979 9.632 0.590
356 HH12 ARG 48 HH12 ARG 48 2.286 11.236 0.015
357 HH21 ARG 48 HH21 ARG 48 5.667 11.246 0.985
358 HH22 ARG 48 HH22 ARG 48 4.391 12.157 0.239
359 HA PRO 49 HA PRO 49 4.804 3.590 7.514
360 HB2 PRO 49 HB2 PRO 49 7.328 4.137 8.385
361 HB3 PRO 49 HB3 PRO 49 6.967 2.804 7.273
362 HG2 PRO 49 HG2 PRO 49 8.099 5.505 6.663
363 HG3 PRO 49 HG3 PRO 49 8.563 3.919 6.008
364 HD2 PRO 49 HD2 PRO 49 6.909 5.702 4.692
365 HD3 PRO 49 HD3 PRO 49 6.900 3.948 4.413
366 H LEU 50 H LEU 50 3.352 4.939 8.425
367 HA LEU 50 HA LEU 50 3.987 7.611 9.368
368 HB2 LEU 50 HB2 LEU 50 1.640 5.870 10.228
369 HB3 LEU 50 HB3 LEU 50 1.775 7.617 10.354
370 HG LEU 50 HG LEU 50 1.317 5.971 7.839
371 HD11 LEU 50 HD11 LEU 50 -0.779 7.267 7.723
372 HD12 LEU 50 HD12 LEU 50 -0.387 8.047 9.255
373 HD13 LEU 50 HD13 LEU 50 -0.667 6.303 9.191
374 HD21 LEU 50 HD21 LEU 50 2.851 7.769 7.224
375 HD22 LEU 50 HD22 LEU 50 1.799 8.965 7.984
376 HD23 LEU 50 HD23 LEU 50 1.246 8.074 6.562
377 H ALA 51 H ALA 51 3.392 4.412 10.782
378 HA ALA 51 HA ALA 51 3.892 5.134 13.505
379 HB1 ALA 51 HB1 ALA 51 2.370 3.299 12.890
380 HB2 ALA 51 HB2 ALA 51 3.663 2.716 13.936
381 HB3 ALA 51 HB3 ALA 51 3.719 2.390 12.202
382 H MET 52 H MET 52 5.807 3.642 10.919
383 HA MET 52 HA MET 52 8.152 3.342 12.638
384 HB2 MET 52 HB2 MET 52 7.887 2.794 9.650
385 HB3 MET 52 HB3 MET 52 9.272 2.389 10.651
386 HG2 MET 52 HG2 MET 52 7.747 0.876 11.980
387 HG3 MET 52 HG3 MET 52 6.509 1.170 10.761
388 HE1 MET 52 HE1 MET 52 8.216 -0.431 7.552
389 HE2 MET 52 HE2 MET 52 8.322 1.258 8.048
390 HE3 MET 52 HE3 MET 52 6.786 0.399 8.164
391 H ARG 53 H ARG 53 8.785 5.420 13.202
392 HA ARG 53 HA ARG 53 9.366 7.412 11.147
393 HB2 ARG 53 HB2 ARG 53 8.634 7.818 13.678
394 HB3 ARG 53 HB3 ARG 53 10.338 7.617 14.023
395 HG2 ARG 53 HG2 ARG 53 9.177 9.728 12.163
396 HG3 ARG 53 HG3 ARG 53 9.626 10.002 13.842
397 HD2 ARG 53 HD2 ARG 53 11.998 9.436 13.250
398 HD3 ARG 53 HD3 ARG 53 11.502 9.276 11.563
399 HE ARG 53 HE ARG 53 11.018 11.821 12.955
400 HH11 ARG 53 HH11 ARG 53 12.885 10.094 10.505
401 HH12 ARG 53 HH12 ARG 53 13.499 11.548 9.784
402 HH21 ARG 53 HH21 ARG 53 11.839 13.697 12.008
403 HH22 ARG 53 HH22 ARG 53 12.905 13.587 10.640
404 H LYS 54 H LYS 54 10.610 5.709 10.008
405 HA LYS 54 HA LYS 54 13.400 6.136 10.290
406 HB2 LYS 54 HB2 LYS 54 13.233 4.382 11.993
407 HB3 LYS 54 HB3 LYS 54 12.397 3.312 10.874
408 HG2 LYS 54 HG2 LYS 54 14.375 2.980 9.554
409 HG3 LYS 54 HG3 LYS 54 15.220 4.317 10.337
410 HD2 LYS 54 HD2 LYS 54 14.389 1.741 11.738
411 HD3 LYS 54 HD3 LYS 54 16.005 2.063 11.106
412 HE2 LYS 54 HE2 LYS 54 16.245 3.972 12.638
413 HE3 LYS 54 HE3 LYS 54 14.610 3.705 13.247
414 HZ1 LYS 54 HZ1 LYS 54 16.285 2.798 14.724
415 HZ2 LYS 54 HZ2 LYS 54 16.869 1.792 13.498
416 HZ3 LYS 54 HZ3 LYS 54 15.309 1.565 14.102
417 H GLU 55 H GLU 55 13.881 6.507 8.288
418 HA GLU 55 HA GLU 55 12.703 5.151 6.016
419 HB2 GLU 55 HB2 GLU 55 13.389 7.583 5.988
420 HB3 GLU 55 HB3 GLU 55 15.069 7.085 6.146
421 HG2 GLU 55 HG2 GLU 55 14.616 7.648 3.840
422 HG3 GLU 55 HG3 GLU 55 14.896 5.910 3.959
423 H GLY 56 H GLY 56 13.770 3.635 4.680
424 HA2 GLY 56 HA2 GLY 56 16.427 2.724 4.931
425 HA3 GLY 56 HA3 GLY 56 15.420 1.747 5.996
426 H ILE 57 H ILE 57 15.501 -0.163 4.927
427 HA ILE 57 HA ILE 57 14.170 -0.453 2.358
428 HB ILE 57 HB ILE 57 16.409 -0.012 1.560
429 HG12 ILE 57 HG12 ILE 57 16.038 -3.040 1.518
430 HG13 ILE 57 HG13 ILE 57 15.231 -1.910 0.441
431 HG21 ILE 57 HG21 ILE 57 17.679 -0.343 3.630
432 HG22 ILE 57 HG22 ILE 57 18.437 -1.205 2.289
433 HG23 ILE 57 HG23 ILE 57 17.489 -2.091 3.485
434 HD11 ILE 57 HD11 ILE 57 18.202 -2.445 0.557
435 HD12 ILE 57 HD12 ILE 57 17.414 -1.269 -0.501
436 HD13 ILE 57 HD13 ILE 57 17.069 -2.987 -0.681
437 H GLN 58 H GLN 58 12.839 -2.158 2.587
438 HA GLN 58 HA GLN 58 13.339 -4.202 4.654
439 HB2 GLN 58 HB2 GLN 58 11.068 -2.917 4.314
440 HB3 GLN 58 HB3 GLN 58 10.819 -3.988 2.949
441 HG2 GLN 58 HG2 GLN 58 11.192 -4.876 5.829
442 HG3 GLN 58 HG3 GLN 58 9.650 -4.728 5.008
443 HE21 GLN 58 HE21 GLN 58 12.494 -6.667 5.420
444 HE22 GLN 58 HE22 GLN 58 11.954 -8.040 4.526
445 H THR 59 H THR 59 14.741 -5.666 3.831
446 HA THR 59 HA THR 59 13.980 -7.185 1.422
447 HB THR 59 HB THR 59 16.565 -7.307 0.956
448 HG1 THR 59 HG1 THR 59 17.813 -5.839 1.884
449 HG21 THR 59 HG21 THR 59 15.015 -6.223 -0.612
450 HG22 THR 59 HG22 THR 59 16.508 -5.292 -0.478
451 HG23 THR 59 HG23 THR 59 15.049 -4.741 0.348
452 H ARG 60 H ARG 60 16.941 -8.424 2.206
453 HA ARG 60 HA ARG 60 17.599 -10.420 2.952
454 HB2 ARG 60 HB2 ARG 60 15.443 -10.218 5.082
455 HB3 ARG 60 HB3 ARG 60 16.780 -11.365 5.075
456 HG2 ARG 60 HG2 ARG 60 18.375 -9.427 5.252
457 HG3 ARG 60 HG3 ARG 60 16.983 -8.343 5.368
458 HD2 ARG 60 HD2 ARG 60 17.755 -10.540 7.308
459 HD3 ARG 60 HD3 ARG 60 17.805 -8.798 7.598
460 HE ARG 60 HE ARG 60 15.174 -9.737 6.910
461 HH11 ARG 60 HH11 ARG 60 17.379 -9.383 9.648
462 HH12 ARG 60 HH12 ARG 60 16.100 -9.386 10.820
463 HH21 ARG 60 HH21 ARG 60 13.540 -9.796 8.441
464 HH22 ARG 60 HH22 ARG 60 13.907 -9.623 10.125
465 H LYS 61 H LYS 61 14.049 -10.554 3.452
466 HA LYS 61 HA LYS 61 13.852 -12.786 1.522
467 HB2 LYS 61 HB2 LYS 61 11.872 -11.709 3.571
468 HB3 LYS 61 HB3 LYS 61 11.462 -12.943 2.388
469 HG2 LYS 61 HG2 LYS 61 13.568 -13.207 4.552
470 HG3 LYS 61 HG3 LYS 61 11.951 -13.906 4.599
471 HD2 LYS 61 HD2 LYS 61 14.154 -14.613 2.620
472 HD3 LYS 61 HD3 LYS 61 13.636 -15.595 3.988
473 HE2 LYS 61 HE2 LYS 61 11.938 -14.899 1.561
474 HE3 LYS 61 HE3 LYS 61 12.708 -16.452 1.877
475 HZ1 LYS 61 HZ1 LYS 61 10.402 -16.544 2.470
476 HZ2 LYS 61 HZ2 LYS 61 10.551 -15.208 3.494
477 HZ3 LYS 61 HZ3 LYS 61 11.332 -16.656 3.876
478 H ARG 62 H ARG 62 13.513 -12.130 -0.524
479 HA ARG 62 HA ARG 62 11.714 -9.937 -1.221
480 HB2 ARG 62 HB2 ARG 62 13.685 -10.496 -2.634
481 HB3 ARG 62 HB3 ARG 62 13.046 -12.112 -2.901
482 HG2 ARG 62 HG2 ARG 62 11.050 -11.020 -4.044
483 HG3 ARG 62 HG3 ARG 62 11.925 -9.489 -3.942
484 HD2 ARG 62 HD2 ARG 62 12.197 -10.599 -6.148
485 HD3 ARG 62 HD3 ARG 62 13.738 -10.396 -5.302
486 HE ARG 62 HE ARG 62 12.398 -12.957 -4.931
487 HH11 ARG 62 HH11 ARG 62 14.831 -11.228 -6.820
488 HH12 ARG 62 HH12 ARG 62 15.625 -12.690 -7.322
489 HH21 ARG 62 HH21 ARG 62 13.474 -14.809 -5.534
490 HH22 ARG 62 HH22 ARG 62 14.853 -14.725 -6.586
491 H LYS 63 H LYS 63 11.442 -13.072 -0.109
492 HA LYS 63 HA LYS 63 9.696 -14.377 0.434
493 HB2 LYS 63 HB2 LYS 63 8.133 -12.486 0.368
494 HB3 LYS 63 HB3 LYS 63 8.006 -12.615 -1.380
495 HG2 LYS 63 HG2 LYS 63 6.964 -14.880 -1.091
496 HG3 LYS 63 HG3 LYS 63 6.991 -14.628 0.659
497 HD2 LYS 63 HD2 LYS 63 5.525 -12.891 -1.368
498 HD3 LYS 63 HD3 LYS 63 4.773 -14.075 -0.297
499 HE2 LYS 63 HE2 LYS 63 5.453 -12.764 1.662
500 HE3 LYS 63 HE3 LYS 63 6.283 -11.604 0.620
501 HZ1 LYS 63 HZ1 LYS 63 4.123 -11.126 -0.426
502 HZ2 LYS 63 HZ2 LYS 63 4.149 -10.751 1.219
503 HZ3 LYS 63 HZ3 LYS 63 3.369 -12.150 0.688
Start of MODEL 14
1 H1 SER 1 H1 SER 1 -15.089 18.575 19.996
2 H2 SER 1 H2 SER 1 -14.607 19.832 21.020
3 H3 SER 1 H3 SER 1 -16.048 19.001 21.320
4 HA SER 1 HA SER 1 -13.332 17.842 21.416
5 HB2 SER 1 HB2 SER 1 -15.232 18.583 23.689
6 HB3 SER 1 HB3 SER 1 -13.657 17.809 23.879
7 HG SER 1 HG SER 1 -13.436 20.028 24.204
8 H HIS 2 H HIS 2 -13.602 15.814 23.027
9 HA HIS 2 HA HIS 2 -14.311 13.721 23.412
10 HB2 HIS 2 HB2 HIS 2 -16.414 14.672 24.241
11 HB3 HIS 2 HB3 HIS 2 -17.049 14.821 22.608
12 HD2 HIS 2 HD2 HIS 2 -15.760 11.693 24.703
13 HE1 HIS 2 HE1 HIS 2 -19.417 10.781 22.783
14 HE2 HIS 2 HE2 HIS 2 -17.582 9.903 24.283
15 H MET 3 H MET 3 -16.617 14.109 20.719
16 HA MET 3 HA MET 3 -15.117 13.293 18.532
17 HB2 MET 3 HB2 MET 3 -15.683 10.909 18.241
18 HB3 MET 3 HB3 MET 3 -14.774 11.119 19.727
19 HG2 MET 3 HG2 MET 3 -16.819 10.894 21.046
20 HG3 MET 3 HG3 MET 3 -17.783 10.805 19.573
21 HE1 MET 3 HE1 MET 3 -15.161 8.959 21.862
22 HE2 MET 3 HE2 MET 3 -14.275 9.036 20.338
23 HE3 MET 3 HE3 MET 3 -14.855 7.485 20.943
24 H SER 4 H SER 4 -16.790 11.980 16.923
25 HA SER 4 HA SER 4 -19.617 12.610 17.402
26 HB2 SER 4 HB2 SER 4 -18.871 14.525 16.031
27 HB3 SER 4 HB3 SER 4 -18.102 13.445 14.869
28 HG SER 4 HG SER 4 -19.977 13.072 13.982
29 H ALA 5 H ALA 5 -20.962 10.994 16.488
30 HA ALA 5 HA ALA 5 -19.845 8.453 15.980
31 HB1 ALA 5 HB1 ALA 5 -22.139 7.725 15.478
32 HB2 ALA 5 HB2 ALA 5 -22.661 9.411 15.385
33 HB3 ALA 5 HB3 ALA 5 -22.096 8.747 16.917
34 H SER 6 H SER 6 -18.435 8.406 14.290
35 HA SER 6 HA SER 6 -18.982 9.621 11.720
36 HB2 SER 6 HB2 SER 6 -16.625 7.912 12.622
37 HB3 SER 6 HB3 SER 6 -16.699 8.872 11.142
38 HG SER 6 HG SER 6 -17.191 10.149 13.587
39 H ARG 7 H ARG 7 -20.925 8.381 11.312
40 HA ARG 7 HA ARG 7 -20.633 5.558 10.509
41 HB2 ARG 7 HB2 ARG 7 -23.112 5.620 10.301
42 HB3 ARG 7 HB3 ARG 7 -22.569 6.110 11.901
43 HG2 ARG 7 HG2 ARG 7 -22.935 8.486 11.313
44 HG3 ARG 7 HG3 ARG 7 -23.471 8.011 9.698
45 HD2 ARG 7 HD2 ARG 7 -25.356 6.730 10.751
46 HD3 ARG 7 HD3 ARG 7 -24.825 7.312 12.329
47 HE ARG 7 HE ARG 7 -25.378 9.562 11.629
48 HH11 ARG 7 HH11 ARG 7 -26.715 7.018 9.581
49 HH12 ARG 7 HH12 ARG 7 -27.992 8.021 8.969
50 HH21 ARG 7 HH21 ARG 7 -27.096 10.844 10.842
51 HH22 ARG 7 HH22 ARG 7 -28.203 10.178 9.680
52 H ARG 8 H ARG 8 -19.139 7.266 8.966
53 HA ARG 8 HA ARG 8 -20.560 8.272 6.643
54 HB2 ARG 8 HB2 ARG 8 -17.573 8.171 7.278
55 HB3 ARG 8 HB3 ARG 8 -18.291 9.042 5.926
56 HG2 ARG 8 HG2 ARG 8 -19.472 10.536 7.502
57 HG3 ARG 8 HG3 ARG 8 -18.779 9.653 8.866
58 HD2 ARG 8 HD2 ARG 8 -16.512 10.330 8.185
59 HD3 ARG 8 HD3 ARG 8 -17.164 11.154 6.763
60 HE ARG 8 HE ARG 8 -18.389 12.226 9.067
61 HH11 ARG 8 HH11 ARG 8 -15.225 12.207 7.484
62 HH12 ARG 8 HH12 ARG 8 -14.759 13.744 8.138
63 HH21 ARG 8 HH21 ARG 8 -17.748 14.242 9.910
64 HH22 ARG 8 HH22 ARG 8 -16.191 14.903 9.519
65 H VAL 9 H VAL 9 -20.635 7.355 4.646
66 HA VAL 9 HA VAL 9 -19.960 4.586 4.262
67 HB VAL 9 HB VAL 9 -20.965 6.633 2.213
68 HG11 VAL 9 HG11 VAL 9 -21.002 3.591 2.064
69 HG12 VAL 9 HG12 VAL 9 -19.992 4.671 1.100
70 HG13 VAL 9 HG13 VAL 9 -21.742 4.692 0.897
71 HG21 VAL 9 HG21 VAL 9 -22.519 6.427 4.105
72 HG22 VAL 9 HG22 VAL 9 -22.571 4.674 3.902
73 HG23 VAL 9 HG23 VAL 9 -23.219 5.731 2.643
74 H GLY 10 H GLY 10 -18.257 3.703 3.159
75 HA2 GLY 10 HA2 GLY 10 -16.657 4.146 1.207
76 HA3 GLY 10 HA3 GLY 10 -16.100 5.493 2.188
77 H LEU 11 H LEU 11 -14.607 3.152 1.234
78 HA LEU 11 HA LEU 11 -13.911 1.504 3.479
79 HB2 LEU 11 HB2 LEU 11 -12.377 2.112 0.912
80 HB3 LEU 11 HB3 LEU 11 -11.913 0.876 2.071
81 HG LEU 11 HG LEU 11 -14.479 0.857 0.423
82 HD11 LEU 11 HD11 LEU 11 -11.947 -0.795 0.086
83 HD12 LEU 11 HD12 LEU 11 -12.504 0.496 -0.981
84 HD13 LEU 11 HD13 LEU 11 -13.445 -0.984 -0.835
85 HD21 LEU 11 HD21 LEU 11 -13.355 -1.260 2.286
86 HD22 LEU 11 HD22 LEU 11 -14.778 -1.432 1.252
87 HD23 LEU 11 HD23 LEU 11 -14.788 -0.265 2.570
88 H SER 12 H SER 12 -11.903 1.577 4.676
89 HA SER 12 HA SER 12 -10.562 4.233 4.790
90 HB2 SER 12 HB2 SER 12 -9.895 3.500 7.143
91 HB3 SER 12 HB3 SER 12 -11.617 3.784 6.914
92 HG SER 12 HG SER 12 -11.994 1.644 6.962
93 H CYS 13 H CYS 13 -8.351 4.288 4.540
94 HA CYS 13 HA CYS 13 -6.885 2.233 3.317
95 HB2 CYS 13 HB2 CYS 13 -6.248 4.605 3.136
96 HB3 CYS 13 HB3 CYS 13 -5.906 4.677 4.858
97 H ALA 14 H ALA 14 -6.119 0.395 4.181
98 HA ALA 14 HA ALA 14 -5.982 -0.074 7.040
99 HB1 ALA 14 HB1 ALA 14 -5.427 -2.375 6.386
100 HB2 ALA 14 HB2 ALA 14 -5.245 -1.878 4.702
101 HB3 ALA 14 HB3 ALA 14 -6.826 -1.793 5.486
102 H ASN 15 H ASN 15 -4.345 1.878 6.834
103 HA ASN 15 HA ASN 15 -1.869 1.070 7.802
104 HB2 ASN 15 HB2 ASN 15 -1.201 0.639 5.488
105 HB3 ASN 15 HB3 ASN 15 -1.801 2.208 4.958
106 HD21 ASN 15 HD21 ASN 15 -0.542 4.057 5.371
107 HD22 ASN 15 HD22 ASN 15 1.055 3.974 5.975
108 H CYS 16 H CYS 16 -3.303 3.778 5.913
109 HA CYS 16 HA CYS 16 -2.297 5.683 7.935
110 HB2 CYS 16 HB2 CYS 16 -2.220 7.350 6.173
111 HB3 CYS 16 HB3 CYS 16 -1.320 5.925 5.683
112 H GLN 17 H GLN 17 -5.115 4.190 7.089
113 HA GLN 17 HA GLN 17 -7.183 4.333 7.971
114 HB2 GLN 17 HB2 GLN 17 -6.182 6.818 9.415
115 HB3 GLN 17 HB3 GLN 17 -7.688 5.979 9.769
116 HG2 GLN 17 HG2 GLN 17 -6.480 4.012 10.532
117 HG3 GLN 17 HG3 GLN 17 -4.935 4.724 10.063
118 HE21 GLN 17 HE21 GLN 17 -5.852 3.802 12.712
119 HE22 GLN 17 HE22 GLN 17 -5.690 5.159 13.765
120 H THR 18 H THR 18 -6.077 6.658 5.791
121 HA THR 18 HA THR 18 -8.252 8.520 5.895
122 HB THR 18 HB THR 18 -6.054 9.250 5.045
123 HG1 THR 18 HG1 THR 18 -7.326 10.670 4.143
124 HG21 THR 18 HG21 THR 18 -6.640 7.546 2.593
125 HG22 THR 18 HG22 THR 18 -5.357 7.253 3.770
126 HG23 THR 18 HG23 THR 18 -5.314 8.699 2.762
127 H THR 19 H THR 19 -10.103 8.577 4.789
128 HA THR 19 HA THR 19 -10.929 6.274 3.163
129 HB THR 19 HB THR 19 -13.229 7.274 3.415
130 HG1 THR 19 HG1 THR 19 -13.499 9.143 4.626
131 HG21 THR 19 HG21 THR 19 -13.489 6.918 5.848
132 HG22 THR 19 HG22 THR 19 -11.745 7.054 6.074
133 HG23 THR 19 HG23 THR 19 -12.413 5.694 5.169
134 H THR 20 H THR 20 -9.823 9.510 2.799
135 HA THR 20 HA THR 20 -11.219 10.096 0.310
136 HB THR 20 HB THR 20 -9.927 12.289 0.459
137 HG1 THR 20 HG1 THR 20 -8.317 11.120 1.992
138 HG21 THR 20 HG21 THR 20 -12.223 12.104 1.367
139 HG22 THR 20 HG22 THR 20 -11.240 13.196 2.341
140 HG23 THR 20 HG23 THR 20 -11.571 11.561 2.915
141 H THR 21 H THR 21 -10.375 8.507 -1.072
142 HA THR 21 HA THR 21 -8.167 9.513 -2.633
143 HB THR 21 HB THR 21 -6.873 8.016 -1.168
144 HG1 THR 21 HG1 THR 21 -6.912 6.403 -3.409
145 HG21 THR 21 HG21 THR 21 -8.714 5.781 -2.091
146 HG22 THR 21 HG22 THR 21 -8.643 6.451 -0.458
147 HG23 THR 21 HG23 THR 21 -7.257 5.583 -1.116
148 H THR 22 H THR 22 -8.354 8.859 -4.811
149 HA THR 22 HA THR 22 -10.962 7.837 -5.613
150 HB THR 22 HB THR 22 -8.606 8.660 -7.385
151 HG1 THR 22 HG1 THR 22 -10.801 10.343 -6.770
152 HG21 THR 22 HG21 THR 22 -11.590 8.551 -8.002
153 HG22 THR 22 HG22 THR 22 -10.378 7.416 -8.605
154 HG23 THR 22 HG23 THR 22 -10.326 9.110 -9.098
155 H LEU 23 H LEU 23 -7.617 6.749 -5.542
156 HA LEU 23 HA LEU 23 -8.320 4.186 -6.858
157 HB2 LEU 23 HB2 LEU 23 -6.578 5.490 -8.032
158 HB3 LEU 23 HB3 LEU 23 -5.609 5.560 -6.569
159 HG LEU 23 HG LEU 23 -5.260 3.096 -6.671
160 HD11 LEU 23 HD11 LEU 23 -6.828 3.182 -9.265
161 HD12 LEU 23 HD12 LEU 23 -7.337 2.412 -7.758
162 HD13 LEU 23 HD13 LEU 23 -5.939 1.793 -8.632
163 HD21 LEU 23 HD21 LEU 23 -4.526 4.514 -9.264
164 HD22 LEU 23 HD22 LEU 23 -3.765 3.052 -8.630
165 HD23 LEU 23 HD23 LEU 23 -3.616 4.567 -7.751
166 H TRP 24 H TRP 24 -8.585 2.571 -5.513
167 HA TRP 24 HA TRP 24 -7.149 2.395 -2.948
168 HB2 TRP 24 HB2 TRP 24 -9.561 0.882 -4.053
169 HB3 TRP 24 HB3 TRP 24 -8.746 0.430 -2.555
170 HD1 TRP 24 HD1 TRP 24 -11.368 2.821 -3.855
171 HE1 TRP 24 HE1 TRP 24 -12.150 4.360 -1.943
172 HE3 TRP 24 HE3 TRP 24 -7.792 1.692 -0.381
173 HZ2 TRP 24 HZ2 TRP 24 -11.353 5.011 0.697
174 HZ3 TRP 24 HZ3 TRP 24 -7.864 2.816 1.798
175 HH2 TRP 24 HH2 TRP 24 -9.608 4.443 2.333
176 H ARG 25 H ARG 25 -5.263 1.454 -3.093
177 HA ARG 25 HA ARG 25 -4.767 -0.878 -4.828
178 HB2 ARG 25 HB2 ARG 25 -2.896 0.839 -3.123
179 HB3 ARG 25 HB3 ARG 25 -2.378 -0.544 -4.090
180 HG2 ARG 25 HG2 ARG 25 -3.181 0.621 -6.142
181 HG3 ARG 25 HG3 ARG 25 -3.616 2.017 -5.158
182 HD2 ARG 25 HD2 ARG 25 -1.331 2.495 -4.650
183 HD3 ARG 25 HD3 ARG 25 -0.788 0.924 -5.247
184 HE ARG 25 HE ARG 25 -1.875 3.063 -6.995
185 HH11 ARG 25 HH11 ARG 25 0.476 0.512 -6.367
186 HH12 ARG 25 HH12 ARG 25 1.271 0.704 -7.895
187 HH21 ARG 25 HH21 ARG 25 -0.843 3.269 -9.030
188 HH22 ARG 25 HH22 ARG 25 0.522 2.271 -9.410
189 H ARG 26 H ARG 26 -3.168 -2.525 -3.503
190 HA ARG 26 HA ARG 26 -4.210 -2.918 -0.766
191 HB2 ARG 26 HB2 ARG 26 -4.163 -5.139 -2.862
192 HB3 ARG 26 HB3 ARG 26 -4.505 -5.360 -1.147
193 HG2 ARG 26 HG2 ARG 26 -6.456 -3.706 -1.488
194 HG3 ARG 26 HG3 ARG 26 -6.186 -3.931 -3.216
195 HD2 ARG 26 HD2 ARG 26 -6.562 -6.376 -2.913
196 HD3 ARG 26 HD3 ARG 26 -6.894 -6.063 -1.201
197 HE ARG 26 HE ARG 26 -8.517 -4.510 -2.992
198 HH11 ARG 26 HH11 ARG 26 -8.288 -7.634 -1.384
199 HH12 ARG 26 HH12 ARG 26 -9.994 -7.936 -1.452
200 HH21 ARG 26 HH21 ARG 26 -10.766 -4.886 -3.039
201 HH22 ARG 26 HH22 ARG 26 -11.397 -6.368 -2.396
202 H ASN 27 H ASN 27 -2.837 -3.776 0.676
203 HA ASN 27 HA ASN 27 -0.013 -3.815 0.037
204 HB2 ASN 27 HB2 ASN 27 0.301 -4.178 2.487
205 HB3 ASN 27 HB3 ASN 27 -0.743 -2.807 2.140
206 HD21 ASN 27 HD21 ASN 27 -1.650 -2.865 4.215
207 HD22 ASN 27 HD22 ASN 27 -2.746 -4.101 4.713
208 H ALA 28 H ALA 28 1.089 -5.779 1.611
209 HA ALA 28 HA ALA 28 1.044 -8.036 -0.098
210 HB1 ALA 28 HB1 ALA 28 2.261 -7.780 2.672
211 HB2 ALA 28 HB2 ALA 28 3.046 -7.355 1.150
212 HB3 ALA 28 HB3 ALA 28 2.638 -9.038 1.490
213 H GLU 29 H GLU 29 -0.593 -7.381 2.951
214 HA GLU 29 HA GLU 29 -1.627 -10.026 3.415
215 HB2 GLU 29 HB2 GLU 29 -2.438 -7.276 4.462
216 HB3 GLU 29 HB3 GLU 29 -3.188 -8.770 5.010
217 HG2 GLU 29 HG2 GLU 29 -0.227 -8.161 5.278
218 HG3 GLU 29 HG3 GLU 29 -1.423 -7.858 6.536
219 H GLY 30 H GLY 30 -2.531 -7.404 1.342
220 HA2 GLY 30 HA2 GLY 30 -4.097 -7.411 -0.388
221 HA3 GLY 30 HA3 GLY 30 -4.857 -8.845 0.292
222 H GLU 31 H GLU 31 -4.100 -6.043 2.174
223 HA GLU 31 HA GLU 31 -6.908 -5.557 2.818
224 HB2 GLU 31 HB2 GLU 31 -4.298 -4.528 4.004
225 HB3 GLU 31 HB3 GLU 31 -5.885 -4.040 4.578
226 HG2 GLU 31 HG2 GLU 31 -4.861 -6.888 4.584
227 HG3 GLU 31 HG3 GLU 31 -4.794 -5.796 5.962
228 HA PRO 32 HA PRO 32 -7.093 -2.225 -0.109
229 HB2 PRO 32 HB2 PRO 32 -9.316 -0.852 0.768
230 HB3 PRO 32 HB3 PRO 32 -9.413 -2.459 0.016
231 HG2 PRO 32 HG2 PRO 32 -9.477 -1.736 2.926
232 HG3 PRO 32 HG3 PRO 32 -10.488 -2.895 2.031
233 HD2 PRO 32 HD2 PRO 32 -8.340 -3.680 3.538
234 HD3 PRO 32 HD3 PRO 32 -8.864 -4.562 2.086
235 H VAL 33 H VAL 33 -5.136 -1.244 0.385
236 HA VAL 33 HA VAL 33 -5.099 1.050 2.247
237 HB VAL 33 HB VAL 33 -2.696 1.285 1.702
238 HG11 VAL 33 HG11 VAL 33 -3.330 -0.211 3.541
239 HG12 VAL 33 HG12 VAL 33 -1.885 -0.815 2.729
240 HG13 VAL 33 HG13 VAL 33 -3.450 -1.574 2.421
241 HG21 VAL 33 HG21 VAL 33 -1.511 -0.357 0.277
242 HG22 VAL 33 HG22 VAL 33 -2.706 0.555 -0.646
243 HG23 VAL 33 HG23 VAL 33 -3.056 -1.100 -0.150
244 H CYS 34 H CYS 34 -4.576 3.193 1.490
245 HA CYS 34 HA CYS 34 -5.843 4.031 -0.901
246 HB2 CYS 34 HB2 CYS 34 -4.977 6.279 -0.324
247 HB3 CYS 34 HB3 CYS 34 -5.694 5.493 1.074
248 H ASN 35 H ASN 35 -4.771 5.338 -2.609
249 HA ASN 35 HA ASN 35 -2.808 4.026 -4.061
250 HB2 ASN 35 HB2 ASN 35 -4.363 5.741 -5.003
251 HB3 ASN 35 HB3 ASN 35 -3.483 7.002 -4.148
252 HD21 ASN 35 HD21 ASN 35 -2.818 8.124 -5.938
253 HD22 ASN 35 HD22 ASN 35 -1.704 7.515 -7.109
254 H ALA 36 H ALA 36 -2.459 6.802 -1.851
255 HA ALA 36 HA ALA 36 0.227 7.476 -2.254
256 HB1 ALA 36 HB1 ALA 36 -1.410 7.771 0.290
257 HB2 ALA 36 HB2 ALA 36 -1.419 8.890 -1.074
258 HB3 ALA 36 HB3 ALA 36 0.050 8.681 -0.119
259 H CYS 37 H CYS 37 -1.162 4.972 -0.180
260 HA CYS 37 HA CYS 37 1.339 4.348 1.181
261 HB2 CYS 37 HB2 CYS 37 -1.314 2.808 1.143
262 HB3 CYS 37 HB3 CYS 37 0.028 2.497 2.243
263 H GLY 38 H GLY 38 -0.624 2.954 -1.404
264 HA2 GLY 38 HA2 GLY 38 0.790 0.492 -1.691
265 HA3 GLY 38 HA3 GLY 38 -0.395 1.165 -2.794
266 H LEU 39 H LEU 39 1.202 3.653 -3.161
267 HA LEU 39 HA LEU 39 2.853 3.005 -5.348
268 HB2 LEU 39 HB2 LEU 39 2.719 5.496 -3.617
269 HB3 LEU 39 HB3 LEU 39 3.736 5.395 -5.044
270 HG LEU 39 HG LEU 39 0.699 5.142 -5.077
271 HD11 LEU 39 HD11 LEU 39 1.368 7.415 -4.443
272 HD12 LEU 39 HD12 LEU 39 0.669 7.390 -6.059
273 HD13 LEU 39 HD13 LEU 39 2.419 7.521 -5.859
274 HD21 LEU 39 HD21 LEU 39 1.767 3.923 -6.920
275 HD22 LEU 39 HD22 LEU 39 2.662 5.375 -7.381
276 HD23 LEU 39 HD23 LEU 39 0.902 5.340 -7.509
277 H TYR 40 H TYR 40 3.560 3.642 -1.955
278 HA TYR 40 HA TYR 40 6.407 3.584 -2.093
279 HB2 TYR 40 HB2 TYR 40 4.800 4.506 -0.218
280 HB3 TYR 40 HB3 TYR 40 4.792 2.865 0.399
281 HD1 TYR 40 HD1 TYR 40 7.409 1.876 0.629
282 HD2 TYR 40 HD2 TYR 40 6.250 5.977 0.873
283 HE1 TYR 40 HE1 TYR 40 9.406 2.363 1.967
284 HE2 TYR 40 HE2 TYR 40 8.250 6.463 2.206
285 HH TYR 40 HH TYR 40 10.837 4.332 2.492
286 H MET 41 H MET 41 3.910 1.117 -1.663
287 HA MET 41 HA MET 41 5.604 -1.003 -0.763
288 HB2 MET 41 HB2 MET 41 2.860 -1.238 -2.074
289 HB3 MET 41 HB3 MET 41 3.675 -2.482 -1.134
290 HG2 MET 41 HG2 MET 41 3.628 -0.598 0.749
291 HG3 MET 41 HG3 MET 41 2.267 -0.019 -0.210
292 HE1 MET 41 HE1 MET 41 3.686 -2.815 2.107
293 HE2 MET 41 HE2 MET 41 3.544 -3.725 0.600
294 HE3 MET 41 HE3 MET 41 2.480 -4.095 1.955
295 H LYS 42 H LYS 42 4.507 0.057 -3.941
296 HA LYS 42 HA LYS 42 5.490 -2.234 -5.370
297 HB2 LYS 42 HB2 LYS 42 3.637 -0.736 -6.194
298 HB3 LYS 42 HB3 LYS 42 4.818 0.541 -6.452
299 HG2 LYS 42 HG2 LYS 42 4.287 -0.565 -8.559
300 HG3 LYS 42 HG3 LYS 42 5.975 -0.867 -8.135
301 HD2 LYS 42 HD2 LYS 42 5.307 -3.118 -7.248
302 HD3 LYS 42 HD3 LYS 42 3.648 -2.807 -7.772
303 HE2 LYS 42 HE2 LYS 42 4.800 -4.209 -9.404
304 HE3 LYS 42 HE3 LYS 42 4.446 -2.637 -10.121
305 HZ1 LYS 42 HZ1 LYS 42 7.076 -3.490 -9.014
306 HZ2 LYS 42 HZ2 LYS 42 6.746 -1.984 -9.708
307 HZ3 LYS 42 HZ3 LYS 42 6.685 -3.386 -10.656
308 H LEU 43 H LEU 43 6.896 0.751 -4.233
309 HA LEU 43 HA LEU 43 9.266 0.631 -5.901
310 HB2 LEU 43 HB2 LEU 43 8.457 2.403 -3.558
311 HB3 LEU 43 HB3 LEU 43 10.013 2.542 -4.356
312 HG LEU 43 HG LEU 43 7.328 2.987 -5.719
313 HD11 LEU 43 HD11 LEU 43 9.372 5.032 -4.783
314 HD12 LEU 43 HD12 LEU 43 7.777 4.746 -4.079
315 HD13 LEU 43 HD13 LEU 43 7.912 5.375 -5.718
316 HD21 LEU 43 HD21 LEU 43 8.656 3.867 -7.600
317 HD22 LEU 43 HD22 LEU 43 9.021 2.172 -7.292
318 HD23 LEU 43 HD23 LEU 43 10.151 3.423 -6.764
319 H HIS 44 H HIS 44 8.512 0.006 -2.434
320 HA HIS 44 HA HIS 44 11.308 -0.932 -1.990
321 HB2 HIS 44 HB2 HIS 44 9.665 0.811 -0.094
322 HB3 HIS 44 HB3 HIS 44 11.293 0.206 0.206
323 HD1 HIS 44 HD1 HIS 44 13.141 1.117 -1.631
324 HD2 HIS 44 HD2 HIS 44 9.619 3.280 -1.230
325 HE1 HIS 44 HE1 HIS 44 13.580 3.330 -2.734
326 HE2 HIS 44 HE2 HIS 44 11.475 4.663 -2.367
327 H GLY 45 H GLY 45 8.096 -1.843 -1.847
328 HA2 GLY 45 HA2 GLY 45 7.380 -3.994 -1.252
329 HA3 GLY 45 HA3 GLY 45 8.764 -4.176 -0.187
330 H VAL 46 H VAL 46 8.350 -1.680 1.233
331 HA VAL 46 HA VAL 46 6.138 -2.463 3.019
332 HB VAL 46 HB VAL 46 7.196 -0.969 4.679
333 HG11 VAL 46 HG11 VAL 46 9.203 -2.883 3.419
334 HG12 VAL 46 HG12 VAL 46 7.954 -3.302 4.594
335 HG13 VAL 46 HG13 VAL 46 9.283 -2.245 5.064
336 HG21 VAL 46 HG21 VAL 46 8.114 0.767 3.201
337 HG22 VAL 46 HG22 VAL 46 9.293 -0.371 2.549
338 HG23 VAL 46 HG23 VAL 46 9.386 0.124 4.242
339 HA PRO 47 HA PRO 47 3.777 1.224 1.788
340 HB2 PRO 47 HB2 PRO 47 2.079 1.557 3.880
341 HB3 PRO 47 HB3 PRO 47 1.995 0.120 2.842
342 HG2 PRO 47 HG2 PRO 47 3.238 0.413 5.551
343 HG3 PRO 47 HG3 PRO 47 2.228 -0.903 4.911
344 HD2 PRO 47 HD2 PRO 47 4.990 -1.008 5.027
345 HD3 PRO 47 HD3 PRO 47 4.009 -1.945 3.883
346 H ARG 48 H ARG 48 2.879 3.360 2.906
347 HA ARG 48 HA ARG 48 5.146 4.955 3.754
348 HB2 ARG 48 HB2 ARG 48 2.673 5.423 2.336
349 HB3 ARG 48 HB3 ARG 48 2.604 6.432 3.771
350 HG2 ARG 48 HG2 ARG 48 4.893 7.340 3.092
351 HG3 ARG 48 HG3 ARG 48 4.690 6.478 1.569
352 HD2 ARG 48 HD2 ARG 48 3.983 8.720 1.154
353 HD3 ARG 48 HD3 ARG 48 2.496 7.772 1.280
354 HE ARG 48 HE ARG 48 3.149 8.785 3.816
355 HH11 ARG 48 HH11 ARG 48 2.023 10.046 0.710
356 HH12 ARG 48 HH12 ARG 48 1.225 11.406 1.434
357 HH21 ARG 48 HH21 ARG 48 2.126 10.578 4.721
358 HH22 ARG 48 HH22 ARG 48 1.289 11.702 3.702
359 HA PRO 49 HA PRO 49 3.739 3.946 8.045
360 HB2 PRO 49 HB2 PRO 49 6.321 5.138 8.966
361 HB3 PRO 49 HB3 PRO 49 5.732 3.470 9.123
362 HG2 PRO 49 HG2 PRO 49 7.765 4.116 7.475
363 HG3 PRO 49 HG3 PRO 49 6.624 2.805 7.095
364 HD2 PRO 49 HD2 PRO 49 6.665 5.640 6.024
365 HD3 PRO 49 HD3 PRO 49 6.411 4.103 5.165
366 H LEU 50 H LEU 50 2.547 5.202 9.445
367 HA LEU 50 HA LEU 50 2.731 8.137 9.338
368 HB2 LEU 50 HB2 LEU 50 0.768 6.253 10.708
369 HB3 LEU 50 HB3 LEU 50 0.765 7.978 11.027
370 HG LEU 50 HG LEU 50 0.090 6.611 8.394
371 HD11 LEU 50 HD11 LEU 50 -2.131 7.613 8.775
372 HD12 LEU 50 HD12 LEU 50 -1.592 8.283 10.316
373 HD13 LEU 50 HD13 LEU 50 -1.686 6.532 10.092
374 HD21 LEU 50 HD21 LEU 50 0.266 9.595 8.954
375 HD22 LEU 50 HD22 LEU 50 -0.381 8.848 7.489
376 HD23 LEU 50 HD23 LEU 50 1.324 8.665 7.888
377 H ALA 51 H ALA 51 3.109 9.427 11.148
378 HA ALA 51 HA ALA 51 4.245 8.221 13.591
379 HB1 ALA 51 HB1 ALA 51 3.986 11.134 12.741
380 HB2 ALA 51 HB2 ALA 51 5.433 10.137 12.583
381 HB3 ALA 51 HB3 ALA 51 4.818 10.547 14.185
382 H MET 52 H MET 52 1.269 9.163 12.322
383 HA MET 52 HA MET 52 -0.037 10.332 14.554
384 HB2 MET 52 HB2 MET 52 -0.788 10.643 12.210
385 HB3 MET 52 HB3 MET 52 -1.224 8.944 12.107
386 HG2 MET 52 HG2 MET 52 -3.028 9.238 13.669
387 HG3 MET 52 HG3 MET 52 -2.491 10.868 14.075
388 HE1 MET 52 HE1 MET 52 -2.787 12.985 12.503
389 HE2 MET 52 HE2 MET 52 -3.348 12.893 10.834
390 HE3 MET 52 HE3 MET 52 -1.795 12.188 11.281
391 H ARG 53 H ARG 53 -0.059 9.258 16.354
392 HA ARG 53 HA ARG 53 -0.872 6.410 16.562
393 HB2 ARG 53 HB2 ARG 53 1.483 6.440 16.922
394 HB3 ARG 53 HB3 ARG 53 1.446 7.983 17.760
395 HG2 ARG 53 HG2 ARG 53 0.374 6.829 19.717
396 HG3 ARG 53 HG3 ARG 53 0.577 5.292 18.872
397 HD2 ARG 53 HD2 ARG 53 2.888 5.275 19.165
398 HD3 ARG 53 HD3 ARG 53 3.015 7.034 19.212
399 HE ARG 53 HE ARG 53 1.997 5.377 21.454
400 HH11 ARG 53 HH11 ARG 53 3.754 8.212 20.288
401 HH12 ARG 53 HH12 ARG 53 4.176 8.755 21.878
402 HH21 ARG 53 HH21 ARG 53 2.596 6.113 23.548
403 HH22 ARG 53 HH22 ARG 53 3.521 7.569 23.726
404 H LYS 54 H LYS 54 -1.153 9.677 17.673
405 HA LYS 54 HA LYS 54 -2.266 9.079 20.286
406 HB2 LYS 54 HB2 LYS 54 -1.890 11.767 18.876
407 HB3 LYS 54 HB3 LYS 54 -2.383 11.555 20.548
408 HG2 LYS 54 HG2 LYS 54 -0.096 12.151 20.634
409 HG3 LYS 54 HG3 LYS 54 -0.132 10.421 20.961
410 HD2 LYS 54 HD2 LYS 54 1.736 11.000 19.477
411 HD3 LYS 54 HD3 LYS 54 0.577 9.968 18.636
412 HE2 LYS 54 HE2 LYS 54 1.359 11.772 17.169
413 HE3 LYS 54 HE3 LYS 54 -0.362 11.962 17.495
414 HZ1 LYS 54 HZ1 LYS 54 0.849 14.067 17.619
415 HZ2 LYS 54 HZ2 LYS 54 1.818 13.463 18.861
416 HZ3 LYS 54 HZ3 LYS 54 0.161 13.676 19.116
417 H GLU 55 H GLU 55 -4.362 9.272 20.877
418 HA GLU 55 HA GLU 55 -6.606 9.463 20.879
419 HB2 GLU 55 HB2 GLU 55 -6.026 11.825 20.171
420 HB3 GLU 55 HB3 GLU 55 -6.279 11.348 18.499
421 HG2 GLU 55 HG2 GLU 55 -8.674 10.810 19.093
422 HG3 GLU 55 HG3 GLU 55 -8.353 11.440 20.710
423 H GLY 56 H GLY 56 -5.155 7.509 19.057
424 HA2 GLY 56 HA2 GLY 56 -7.031 6.842 16.957
425 HA3 GLY 56 HA3 GLY 56 -5.644 5.900 17.482
426 H ILE 57 H ILE 57 -8.925 6.847 18.487
427 HA ILE 57 HA ILE 57 -9.324 4.145 19.647
428 HB ILE 57 HB ILE 57 -9.381 5.687 21.492
429 HG12 ILE 57 HG12 ILE 57 -12.263 4.967 20.771
430 HG13 ILE 57 HG13 ILE 57 -11.101 3.883 21.520
431 HG21 ILE 57 HG21 ILE 57 -10.857 7.643 21.677
432 HG22 ILE 57 HG22 ILE 57 -11.411 7.392 20.022
433 HG23 ILE 57 HG23 ILE 57 -9.725 7.813 20.333
434 HD11 ILE 57 HD11 ILE 57 -12.286 6.371 22.762
435 HD12 ILE 57 HD12 ILE 57 -11.065 5.341 23.513
436 HD13 ILE 57 HD13 ILE 57 -12.663 4.693 23.154
437 H GLN 58 H GLN 58 -9.832 3.502 17.524
438 HA GLN 58 HA GLN 58 -12.417 4.358 16.395
439 HB2 GLN 58 HB2 GLN 58 -11.843 3.134 14.413
440 HB3 GLN 58 HB3 GLN 58 -10.399 4.004 14.889
441 HG2 GLN 58 HG2 GLN 58 -10.881 1.048 15.376
442 HG3 GLN 58 HG3 GLN 58 -9.955 1.715 14.037
443 HE21 GLN 58 HE21 GLN 58 -9.095 -0.158 16.057
444 HE22 GLN 58 HE22 GLN 58 -7.744 0.567 16.852
445 H THR 59 H THR 59 -11.004 1.888 18.348
446 HA THR 59 HA THR 59 -13.116 -0.057 18.009
447 HB THR 59 HB THR 59 -11.923 -1.221 19.949
448 HG1 THR 59 HG1 THR 59 -10.680 0.135 21.008
449 HG21 THR 59 HG21 THR 59 -9.988 -1.932 18.583
450 HG22 THR 59 HG22 THR 59 -10.226 -0.555 17.507
451 HG23 THR 59 HG23 THR 59 -11.447 -1.827 17.595
452 H ARG 60 H ARG 60 -14.819 1.429 18.439
453 HA ARG 60 HA ARG 60 -15.432 1.840 21.313
454 HB2 ARG 60 HB2 ARG 60 -15.130 3.953 19.977
455 HB3 ARG 60 HB3 ARG 60 -16.410 3.440 18.890
456 HG2 ARG 60 HG2 ARG 60 -17.145 5.165 20.511
457 HG3 ARG 60 HG3 ARG 60 -18.073 3.671 20.651
458 HD2 ARG 60 HD2 ARG 60 -16.754 3.021 22.628
459 HD3 ARG 60 HD3 ARG 60 -15.782 4.488 22.480
460 HE ARG 60 HE ARG 60 -17.816 5.763 22.934
461 HH11 ARG 60 HH11 ARG 60 -17.863 2.385 23.912
462 HH12 ARG 60 HH12 ARG 60 -19.076 2.631 25.126
463 HH21 ARG 60 HH21 ARG 60 -19.387 6.076 24.541
464 HH22 ARG 60 HH22 ARG 60 -19.937 4.727 25.481
465 H LYS 61 H LYS 61 -15.951 -0.226 18.903
466 HA LYS 61 HA LYS 61 -17.296 -1.936 18.498
467 HB2 LYS 61 HB2 LYS 61 -18.864 -1.087 20.975
468 HB3 LYS 61 HB3 LYS 61 -19.071 -2.616 20.121
469 HG2 LYS 61 HG2 LYS 61 -16.678 -3.178 20.628
470 HG3 LYS 61 HG3 LYS 61 -16.565 -1.692 21.573
471 HD2 LYS 61 HD2 LYS 61 -18.375 -2.546 23.081
472 HD3 LYS 61 HD3 LYS 61 -18.407 -4.052 22.156
473 HE2 LYS 61 HE2 LYS 61 -16.016 -2.983 23.706
474 HE3 LYS 61 HE3 LYS 61 -17.082 -4.284 24.229
475 HZ1 LYS 61 HZ1 LYS 61 -15.034 -5.129 23.259
476 HZ2 LYS 61 HZ2 LYS 61 -15.370 -4.349 21.795
477 HZ3 LYS 61 HZ3 LYS 61 -16.376 -5.598 22.336
478 H ARG 62 H ARG 62 -18.717 -2.183 16.905
479 HA ARG 62 HA ARG 62 -20.655 -0.027 16.329
480 HB2 ARG 62 HB2 ARG 62 -19.050 -1.895 14.559
481 HB3 ARG 62 HB3 ARG 62 -20.588 -1.288 13.954
482 HG2 ARG 62 HG2 ARG 62 -18.237 0.414 14.835
483 HG3 ARG 62 HG3 ARG 62 -18.718 0.082 13.171
484 HD2 ARG 62 HD2 ARG 62 -20.998 1.163 13.816
485 HD3 ARG 62 HD3 ARG 62 -20.152 1.759 15.243
486 HE ARG 62 HE ARG 62 -18.843 3.153 13.906
487 HH11 ARG 62 HH11 ARG 62 -21.144 1.365 11.943
488 HH12 ARG 62 HH12 ARG 62 -20.954 2.390 10.558
489 HH21 ARG 62 HH21 ARG 62 -18.585 4.483 12.063
490 HH22 ARG 62 HH22 ARG 62 -19.504 4.147 10.637
491 H LYS 63 H LYS 63 -22.428 -0.954 14.763
492 HA LYS 63 HA LYS 63 -23.766 -3.305 15.945
493 HB2 LYS 63 HB2 LYS 63 -25.921 -1.726 15.805
494 HB3 LYS 63 HB3 LYS 63 -24.905 -1.720 17.238
495 HG2 LYS 63 HG2 LYS 63 -23.968 0.382 16.741
496 HG3 LYS 63 HG3 LYS 63 -24.388 0.303 15.032
497 HD2 LYS 63 HD2 LYS 63 -26.608 0.398 17.090
498 HD3 LYS 63 HD3 LYS 63 -25.728 1.874 16.708
499 HE2 LYS 63 HE2 LYS 63 -27.822 1.614 15.395
500 HE3 LYS 63 HE3 LYS 63 -26.386 1.747 14.379
501 HZ1 LYS 63 HZ1 LYS 63 -26.432 -0.640 14.049
502 HZ2 LYS 63 HZ2 LYS 63 -27.919 0.029 13.606
503 HZ3 LYS 63 HZ3 LYS 63 -27.767 -0.795 15.071
Start of MODEL 15
1 H1 SER 1 H1 SER 1 -35.568 -8.640 -7.639
2 H2 SER 1 H2 SER 1 -35.674 -8.730 -5.958
3 H3 SER 1 H3 SER 1 -35.040 -10.027 -6.828
4 HA SER 1 HA SER 1 -33.297 -8.771 -5.750
5 HB2 SER 1 HB2 SER 1 -33.315 -8.493 -8.794
6 HB3 SER 1 HB3 SER 1 -31.877 -8.518 -7.770
7 HG SER 1 HG SER 1 -31.994 -10.588 -8.267
8 H HIS 2 H HIS 2 -32.811 -6.808 -4.894
9 HA HIS 2 HA HIS 2 -34.218 -4.421 -5.668
10 HB2 HIS 2 HB2 HIS 2 -32.077 -5.015 -3.594
11 HB3 HIS 2 HB3 HIS 2 -32.568 -3.357 -3.923
12 HD2 HIS 2 HD2 HIS 2 -34.954 -2.574 -2.818
13 HE1 HIS 2 HE1 HIS 2 -35.899 -6.310 -1.091
14 HE2 HIS 2 HE2 HIS 2 -36.471 -3.846 -1.156
15 H MET 3 H MET 3 -33.291 -2.453 -6.384
16 HA MET 3 HA MET 3 -31.519 -2.897 -8.657
17 HB2 MET 3 HB2 MET 3 -33.050 -0.391 -7.829
18 HB3 MET 3 HB3 MET 3 -32.307 -0.678 -9.399
19 HG2 MET 3 HG2 MET 3 -33.907 -2.425 -9.898
20 HG3 MET 3 HG3 MET 3 -34.576 -2.334 -8.264
21 HE1 MET 3 HE1 MET 3 -37.564 -0.854 -10.209
22 HE2 MET 3 HE2 MET 3 -37.041 -1.983 -8.961
23 HE3 MET 3 HE3 MET 3 -36.564 -2.238 -10.642
24 H SER 4 H SER 4 -30.736 -2.355 -5.605
25 HA SER 4 HA SER 4 -29.018 -0.075 -5.668
26 HB2 SER 4 HB2 SER 4 -28.175 -1.141 -3.470
27 HB3 SER 4 HB3 SER 4 -29.887 -0.724 -3.532
28 HG SER 4 HG SER 4 -29.914 -2.752 -2.779
29 H ALA 5 H ALA 5 -27.459 -0.144 -7.207
30 HA ALA 5 HA ALA 5 -25.466 -2.357 -7.163
31 HB1 ALA 5 HB1 ALA 5 -26.704 -2.251 -9.304
32 HB2 ALA 5 HB2 ALA 5 -25.001 -1.854 -9.529
33 HB3 ALA 5 HB3 ALA 5 -26.214 -0.569 -9.517
34 H SER 6 H SER 6 -25.763 0.280 -5.660
35 HA SER 6 HA SER 6 -23.756 2.100 -6.468
36 HB2 SER 6 HB2 SER 6 -24.878 1.624 -3.671
37 HB3 SER 6 HB3 SER 6 -24.106 3.102 -4.252
38 HG SER 6 HG SER 6 -25.992 2.773 -5.941
39 H ARG 7 H ARG 7 -21.576 1.875 -6.350
40 HA ARG 7 HA ARG 7 -20.229 -0.347 -5.233
41 HB2 ARG 7 HB2 ARG 7 -19.281 1.112 -7.045
42 HB3 ARG 7 HB3 ARG 7 -19.055 2.395 -5.867
43 HG2 ARG 7 HG2 ARG 7 -16.955 1.567 -5.586
44 HG3 ARG 7 HG3 ARG 7 -17.701 0.263 -4.665
45 HD2 ARG 7 HD2 ARG 7 -16.825 0.259 -7.565
46 HD3 ARG 7 HD3 ARG 7 -16.272 -0.779 -6.251
47 HE ARG 7 HE ARG 7 -18.952 -0.916 -7.492
48 HH11 ARG 7 HH11 ARG 7 -16.226 -2.588 -6.015
49 HH12 ARG 7 HH12 ARG 7 -16.942 -4.155 -6.212
50 HH21 ARG 7 HH21 ARG 7 -19.875 -2.949 -7.726
51 HH22 ARG 7 HH22 ARG 7 -19.014 -4.360 -7.183
52 H ARG 8 H ARG 8 -19.588 -0.715 -3.156
53 HA ARG 8 HA ARG 8 -20.792 0.798 -1.086
54 HB2 ARG 8 HB2 ARG 8 -20.415 -1.717 -1.114
55 HB3 ARG 8 HB3 ARG 8 -18.720 -1.412 -0.750
56 HG2 ARG 8 HG2 ARG 8 -19.328 -0.374 1.388
57 HG3 ARG 8 HG3 ARG 8 -21.045 -0.556 1.019
58 HD2 ARG 8 HD2 ARG 8 -20.577 -3.093 0.882
59 HD3 ARG 8 HD3 ARG 8 -19.020 -2.730 1.631
60 HE ARG 8 HE ARG 8 -20.216 -1.900 3.574
61 HH11 ARG 8 HH11 ARG 8 -22.132 -3.803 1.299
62 HH12 ARG 8 HH12 ARG 8 -23.333 -4.228 2.479
63 HH21 ARG 8 HH21 ARG 8 -21.804 -2.464 5.105
64 HH22 ARG 8 HH22 ARG 8 -23.140 -3.468 4.631
65 H VAL 9 H VAL 9 -19.990 2.836 -0.929
66 HA VAL 9 HA VAL 9 -17.196 3.456 -0.543
67 HB VAL 9 HB VAL 9 -19.642 5.218 -0.015
68 HG11 VAL 9 HG11 VAL 9 -18.079 7.133 -0.180
69 HG12 VAL 9 HG12 VAL 9 -16.718 6.019 -0.341
70 HG13 VAL 9 HG13 VAL 9 -17.652 6.064 1.157
71 HG21 VAL 9 HG21 VAL 9 -19.209 6.221 -2.239
72 HG22 VAL 9 HG22 VAL 9 -19.588 4.503 -2.363
73 HG23 VAL 9 HG23 VAL 9 -17.916 5.048 -2.519
74 H GLY 10 H GLY 10 -16.696 2.011 1.107
75 HA2 GLY 10 HA2 GLY 10 -17.152 3.029 3.817
76 HA3 GLY 10 HA3 GLY 10 -17.645 1.365 3.499
77 H LEU 11 H LEU 11 -15.039 2.235 1.563
78 HA LEU 11 HA LEU 11 -13.136 0.665 3.101
79 HB2 LEU 11 HB2 LEU 11 -12.884 2.018 0.375
80 HB3 LEU 11 HB3 LEU 11 -11.701 0.919 1.066
81 HG LEU 11 HG LEU 11 -14.542 0.151 0.248
82 HD11 LEU 11 HD11 LEU 11 -13.137 0.666 -1.695
83 HD12 LEU 11 HD12 LEU 11 -13.486 -1.057 -1.609
84 HD13 LEU 11 HD13 LEU 11 -11.896 -0.455 -1.127
85 HD21 LEU 11 HD21 LEU 11 -13.752 -1.211 2.120
86 HD22 LEU 11 HD22 LEU 11 -12.266 -1.594 1.249
87 HD23 LEU 11 HD23 LEU 11 -13.823 -2.170 0.644
88 H SER 12 H SER 12 -11.470 1.505 4.244
89 HA SER 12 HA SER 12 -10.513 4.249 3.651
90 HB2 SER 12 HB2 SER 12 -10.610 2.996 6.444
91 HB3 SER 12 HB3 SER 12 -10.088 4.625 6.026
92 HG SER 12 HG SER 12 -12.555 4.348 5.110
93 H CYS 13 H CYS 13 -8.263 4.473 3.731
94 HA CYS 13 HA CYS 13 -6.613 2.358 2.973
95 HB2 CYS 13 HB2 CYS 13 -6.044 4.729 2.599
96 HB3 CYS 13 HB3 CYS 13 -5.828 4.973 4.318
97 H ALA 14 H ALA 14 -6.175 0.590 4.145
98 HA ALA 14 HA ALA 14 -6.529 0.305 6.912
99 HB1 ALA 14 HB1 ALA 14 -5.518 -1.907 6.651
100 HB2 ALA 14 HB2 ALA 14 -4.886 -1.447 5.067
101 HB3 ALA 14 HB3 ALA 14 -6.629 -1.564 5.323
102 H ASN 15 H ASN 15 -3.938 1.756 5.311
103 HA ASN 15 HA ASN 15 -2.016 1.402 7.493
104 HB2 ASN 15 HB2 ASN 15 -1.185 1.080 5.167
105 HB3 ASN 15 HB3 ASN 15 -1.677 2.718 4.750
106 HD21 ASN 15 HD21 ASN 15 -0.345 4.438 5.370
107 HD22 ASN 15 HD22 ASN 15 1.208 4.217 6.084
108 H CYS 16 H CYS 16 -3.343 4.153 5.534
109 HA CYS 16 HA CYS 16 -2.496 5.998 7.707
110 HB2 CYS 16 HB2 CYS 16 -2.325 7.733 5.936
111 HB3 CYS 16 HB3 CYS 16 -1.275 6.351 5.627
112 H GLN 17 H GLN 17 -5.291 4.697 6.428
113 HA GLN 17 HA GLN 17 -7.468 4.959 6.913
114 HB2 GLN 17 HB2 GLN 17 -6.338 6.902 8.947
115 HB3 GLN 17 HB3 GLN 17 -8.052 6.511 8.882
116 HG2 GLN 17 HG2 GLN 17 -5.878 4.414 9.239
117 HG3 GLN 17 HG3 GLN 17 -6.704 5.209 10.582
118 HE21 GLN 17 HE21 GLN 17 -7.038 2.919 7.990
119 HE22 GLN 17 HE22 GLN 17 -8.546 2.249 8.489
120 H THR 18 H THR 18 -5.984 7.084 5.062
121 HA THR 18 HA THR 18 -7.979 9.140 4.801
122 HB THR 18 HB THR 18 -5.680 9.583 4.023
123 HG1 THR 18 HG1 THR 18 -6.276 10.517 2.029
124 HG21 THR 18 HG21 THR 18 -5.065 7.337 3.186
125 HG22 THR 18 HG22 THR 18 -4.801 8.567 1.949
126 HG23 THR 18 HG23 THR 18 -6.213 7.509 1.854
127 H THR 19 H THR 19 -9.655 9.258 3.352
128 HA THR 19 HA THR 19 -10.512 6.754 1.997
129 HB THR 19 HB THR 19 -12.839 7.686 2.248
130 HG1 THR 19 HG1 THR 19 -13.176 9.559 3.342
131 HG21 THR 19 HG21 THR 19 -11.316 7.456 4.876
132 HG22 THR 19 HG22 THR 19 -12.001 6.108 3.963
133 HG23 THR 19 HG23 THR 19 -13.066 7.319 4.679
134 H THR 20 H THR 20 -9.255 9.814 1.320
135 HA THR 20 HA THR 20 -11.152 10.659 -0.725
136 HB THR 20 HB THR 20 -10.134 12.295 0.867
137 HG1 THR 20 HG1 THR 20 -10.292 12.573 -1.850
138 HG21 THR 20 HG21 THR 20 -7.832 11.388 0.967
139 HG22 THR 20 HG22 THR 20 -7.830 13.094 0.522
140 HG23 THR 20 HG23 THR 20 -7.572 11.866 -0.716
141 H THR 21 H THR 21 -8.757 8.435 -0.906
142 HA THR 21 HA THR 21 -7.356 9.201 -3.290
143 HB THR 21 HB THR 21 -6.352 7.623 -1.684
144 HG1 THR 21 HG1 THR 21 -6.632 5.941 -3.886
145 HG21 THR 21 HG21 THR 21 -8.517 5.682 -2.563
146 HG22 THR 21 HG22 THR 21 -8.377 6.424 -0.966
147 HG23 THR 21 HG23 THR 21 -7.144 5.293 -1.525
148 H THR 22 H THR 22 -7.616 8.422 -5.402
149 HA THR 22 HA THR 22 -10.287 7.698 -6.268
150 HB THR 22 HB THR 22 -7.675 7.975 -7.847
151 HG1 THR 22 HG1 THR 22 -9.724 9.856 -8.100
152 HG21 THR 22 HG21 THR 22 -10.535 7.819 -8.886
153 HG22 THR 22 HG22 THR 22 -9.293 6.579 -9.088
154 HG23 THR 22 HG23 THR 22 -9.103 8.155 -9.860
155 H LEU 23 H LEU 23 -7.054 6.181 -6.253
156 HA LEU 23 HA LEU 23 -8.162 3.608 -7.172
157 HB2 LEU 23 HB2 LEU 23 -6.213 4.550 -8.380
158 HB3 LEU 23 HB3 LEU 23 -5.280 4.572 -6.891
159 HG LEU 23 HG LEU 23 -5.337 2.075 -6.815
160 HD11 LEU 23 HD11 LEU 23 -7.458 1.661 -7.933
161 HD12 LEU 23 HD12 LEU 23 -6.159 0.775 -8.725
162 HD13 LEU 23 HD13 LEU 23 -6.797 2.244 -9.465
163 HD21 LEU 23 HD21 LEU 23 -3.801 1.665 -8.696
164 HD22 LEU 23 HD22 LEU 23 -3.441 3.190 -7.891
165 HD23 LEU 23 HD23 LEU 23 -4.289 3.194 -9.440
166 H TRP 24 H TRP 24 -8.716 2.180 -5.667
167 HA TRP 24 HA TRP 24 -7.383 2.029 -3.058
168 HB2 TRP 24 HB2 TRP 24 -9.836 0.605 -4.190
169 HB3 TRP 24 HB3 TRP 24 -9.134 0.208 -2.621
170 HD1 TRP 24 HD1 TRP 24 -11.676 2.473 -4.115
171 HE1 TRP 24 HE1 TRP 24 -12.400 4.258 -2.403
172 HE3 TRP 24 HE3 TRP 24 -7.980 1.817 -0.635
173 HZ2 TRP 24 HZ2 TRP 24 -11.509 5.263 0.099
174 HZ3 TRP 24 HZ3 TRP 24 -7.978 3.239 1.375
175 HH2 TRP 24 HH2 TRP 24 -9.704 4.927 1.727
176 H ARG 25 H ARG 25 -5.617 0.869 -2.929
177 HA ARG 25 HA ARG 25 -5.039 -1.338 -4.806
178 HB2 ARG 25 HB2 ARG 25 -3.089 0.202 -3.019
179 HB3 ARG 25 HB3 ARG 25 -2.684 -0.915 -4.323
180 HG2 ARG 25 HG2 ARG 25 -3.677 0.645 -5.969
181 HG3 ARG 25 HG3 ARG 25 -4.070 1.762 -4.660
182 HD2 ARG 25 HD2 ARG 25 -2.094 2.582 -5.680
183 HD3 ARG 25 HD3 ARG 25 -1.590 1.867 -4.150
184 HE ARG 25 HE ARG 25 -1.034 -0.175 -5.633
185 HH11 ARG 25 HH11 ARG 25 -0.658 3.188 -6.650
186 HH12 ARG 25 HH12 ARG 25 0.631 2.826 -7.758
187 HH21 ARG 25 HH21 ARG 25 0.630 -0.623 -7.107
188 HH22 ARG 25 HH22 ARG 25 1.355 0.672 -8.016
189 H ARG 26 H ARG 26 -3.398 -2.946 -3.662
190 HA ARG 26 HA ARG 26 -4.581 -3.863 -1.095
191 HB2 ARG 26 HB2 ARG 26 -3.015 -5.453 -3.198
192 HB3 ARG 26 HB3 ARG 26 -3.718 -6.114 -1.727
193 HG2 ARG 26 HG2 ARG 26 -5.281 -4.939 -4.044
194 HG3 ARG 26 HG3 ARG 26 -5.021 -6.660 -3.754
195 HD2 ARG 26 HD2 ARG 26 -6.198 -6.381 -1.546
196 HD3 ARG 26 HD3 ARG 26 -6.596 -4.727 -2.026
197 HE ARG 26 HE ARG 26 -7.629 -5.965 -4.078
198 HH11 ARG 26 HH11 ARG 26 -7.770 -7.083 -0.741
199 HH12 ARG 26 HH12 ARG 26 -9.261 -7.936 -0.961
200 HH21 ARG 26 HH21 ARG 26 -9.568 -7.124 -4.363
201 HH22 ARG 26 HH22 ARG 26 -10.279 -7.957 -3.016
202 H ASN 27 H ASN 27 -3.179 -4.132 0.674
203 HA ASN 27 HA ASN 27 -0.264 -3.882 0.240
204 HB2 ASN 27 HB2 ASN 27 0.003 -3.962 2.654
205 HB3 ASN 27 HB3 ASN 27 -1.240 -2.780 2.274
206 HD21 ASN 27 HD21 ASN 27 -3.341 -3.172 2.963
207 HD22 ASN 27 HD22 ASN 27 -3.714 -4.407 4.104
208 H ALA 28 H ALA 28 0.838 -5.753 1.892
209 HA ALA 28 HA ALA 28 0.857 -8.029 0.255
210 HB1 ALA 28 HB1 ALA 28 2.332 -9.045 1.932
211 HB2 ALA 28 HB2 ALA 28 1.879 -7.799 3.099
212 HB3 ALA 28 HB3 ALA 28 2.772 -7.359 1.646
213 H GLU 29 H GLU 29 -0.789 -7.478 3.357
214 HA GLU 29 HA GLU 29 -1.959 -10.161 3.375
215 HB2 GLU 29 HB2 GLU 29 -2.033 -7.864 5.375
216 HB3 GLU 29 HB3 GLU 29 -2.930 -9.368 5.600
217 HG2 GLU 29 HG2 GLU 29 -0.822 -10.654 5.576
218 HG3 GLU 29 HG3 GLU 29 0.079 -9.169 5.266
219 H GLY 30 H GLY 30 -2.709 -7.612 1.591
220 HA2 GLY 30 HA2 GLY 30 -4.397 -7.735 0.018
221 HA3 GLY 30 HA3 GLY 30 -5.250 -8.880 1.028
222 H GLU 31 H GLU 31 -4.662 -6.336 3.037
223 HA GLU 31 HA GLU 31 -7.410 -5.497 2.946
224 HB2 GLU 31 HB2 GLU 31 -5.127 -4.314 4.584
225 HB3 GLU 31 HB3 GLU 31 -6.845 -4.034 4.852
226 HG2 GLU 31 HG2 GLU 31 -5.415 -6.691 5.119
227 HG3 GLU 31 HG3 GLU 31 -5.921 -5.660 6.454
228 HA PRO 32 HA PRO 32 -7.151 -2.227 -0.045
229 HB2 PRO 32 HB2 PRO 32 -9.268 -0.613 0.717
230 HB3 PRO 32 HB3 PRO 32 -9.489 -2.209 -0.029
231 HG2 PRO 32 HG2 PRO 32 -9.578 -1.478 2.887
232 HG3 PRO 32 HG3 PRO 32 -10.704 -2.492 1.951
233 HD2 PRO 32 HD2 PRO 32 -8.783 -3.592 3.499
234 HD3 PRO 32 HD3 PRO 32 -9.258 -4.341 1.958
235 H VAL 33 H VAL 33 -5.283 -1.091 0.197
236 HA VAL 33 HA VAL 33 -5.142 1.174 2.102
237 HB VAL 33 HB VAL 33 -2.728 1.350 1.467
238 HG11 VAL 33 HG11 VAL 33 -3.543 -1.421 2.431
239 HG12 VAL 33 HG12 VAL 33 -3.376 0.028 3.429
240 HG13 VAL 33 HG13 VAL 33 -1.955 -0.671 2.651
241 HG21 VAL 33 HG21 VAL 33 -2.822 0.458 -0.813
242 HG22 VAL 33 HG22 VAL 33 -3.227 -1.148 -0.204
243 HG23 VAL 33 HG23 VAL 33 -1.640 -0.447 0.137
244 H CYS 34 H CYS 34 -4.353 3.239 1.213
245 HA CYS 34 HA CYS 34 -5.782 4.088 -1.107
246 HB2 CYS 34 HB2 CYS 34 -4.734 6.300 -0.629
247 HB3 CYS 34 HB3 CYS 34 -5.471 5.587 0.803
248 H ASN 35 H ASN 35 -4.648 5.440 -2.830
249 HA ASN 35 HA ASN 35 -2.796 3.927 -4.294
250 HB2 ASN 35 HB2 ASN 35 -4.260 5.668 -5.328
251 HB3 ASN 35 HB3 ASN 35 -3.294 6.920 -4.548
252 HD21 ASN 35 HD21 ASN 35 -2.429 7.893 -6.332
253 HD22 ASN 35 HD22 ASN 35 -1.409 7.111 -7.492
254 H ALA 36 H ALA 36 -2.324 6.793 -2.239
255 HA ALA 36 HA ALA 36 0.370 7.334 -2.584
256 HB1 ALA 36 HB1 ALA 36 -1.291 7.678 -0.060
257 HB2 ALA 36 HB2 ALA 36 -1.228 8.814 -1.407
258 HB3 ALA 36 HB3 ALA 36 0.212 8.528 -0.429
259 H CYS 37 H CYS 37 -1.125 5.148 -0.165
260 HA CYS 37 HA CYS 37 1.322 4.379 1.086
261 HB2 CYS 37 HB2 CYS 37 -1.386 2.988 1.130
262 HB3 CYS 37 HB3 CYS 37 -0.024 2.561 2.157
263 H GLY 38 H GLY 38 -0.578 3.037 -1.521
264 HA2 GLY 38 HA2 GLY 38 0.845 0.580 -1.856
265 HA3 GLY 38 HA3 GLY 38 -0.289 1.321 -2.972
266 H LEU 39 H LEU 39 1.305 3.861 -3.053
267 HA LEU 39 HA LEU 39 3.108 3.297 -5.187
268 HB2 LEU 39 HB2 LEU 39 2.701 5.795 -3.483
269 HB3 LEU 39 HB3 LEU 39 3.828 5.741 -4.831
270 HG LEU 39 HG LEU 39 0.819 5.322 -5.077
271 HD11 LEU 39 HD11 LEU 39 0.749 7.534 -6.120
272 HD12 LEU 39 HD12 LEU 39 2.472 7.760 -5.803
273 HD13 LEU 39 HD13 LEU 39 1.333 7.631 -4.460
274 HD21 LEU 39 HD21 LEU 39 2.052 4.103 -6.791
275 HD22 LEU 39 HD22 LEU 39 2.944 5.564 -7.229
276 HD23 LEU 39 HD23 LEU 39 1.201 5.474 -7.496
277 H TYR 40 H TYR 40 3.490 3.929 -1.713
278 HA TYR 40 HA TYR 40 6.330 3.909 -1.640
279 HB2 TYR 40 HB2 TYR 40 4.658 4.730 0.198
280 HB3 TYR 40 HB3 TYR 40 4.583 3.051 0.710
281 HD1 TYR 40 HD1 TYR 40 6.888 1.901 1.305
282 HD2 TYR 40 HD2 TYR 40 6.368 6.137 1.043
283 HE1 TYR 40 HE1 TYR 40 8.935 2.234 2.619
284 HE2 TYR 40 HE2 TYR 40 8.425 6.465 2.343
285 HH TYR 40 HH TYR 40 10.627 3.948 3.003
286 H MET 41 H MET 41 3.869 1.355 -1.378
287 HA MET 41 HA MET 41 5.645 -0.796 -0.752
288 HB2 MET 41 HB2 MET 41 2.914 -0.953 -2.111
289 HB3 MET 41 HB3 MET 41 3.777 -2.288 -1.355
290 HG2 MET 41 HG2 MET 41 3.651 -0.822 0.802
291 HG3 MET 41 HG3 MET 41 2.366 0.021 -0.062
292 HE1 MET 41 HE1 MET 41 3.385 -3.838 -0.054
293 HE2 MET 41 HE2 MET 41 2.292 -4.416 1.204
294 HE3 MET 41 HE3 MET 41 3.576 -3.269 1.610
295 H LYS 42 H LYS 42 4.633 0.714 -3.733
296 HA LYS 42 HA LYS 42 5.513 -1.372 -5.506
297 HB2 LYS 42 HB2 LYS 42 3.720 0.543 -5.863
298 HB3 LYS 42 HB3 LYS 42 5.088 1.537 -6.334
299 HG2 LYS 42 HG2 LYS 42 4.409 -1.107 -7.669
300 HG3 LYS 42 HG3 LYS 42 3.766 0.441 -8.216
301 HD2 LYS 42 HD2 LYS 42 6.065 1.240 -8.659
302 HD3 LYS 42 HD3 LYS 42 6.714 -0.303 -8.096
303 HE2 LYS 42 HE2 LYS 42 5.517 -1.458 -9.932
304 HE3 LYS 42 HE3 LYS 42 4.912 0.099 -10.510
305 HZ1 LYS 42 HZ1 LYS 42 7.199 0.802 -10.889
306 HZ2 LYS 42 HZ2 LYS 42 6.855 -0.610 -11.748
307 HZ3 LYS 42 HZ3 LYS 42 7.778 -0.690 -10.340
308 H LEU 43 H LEU 43 6.861 1.648 -4.227
309 HA LEU 43 HA LEU 43 9.265 1.594 -5.835
310 HB2 LEU 43 HB2 LEU 43 8.405 3.323 -3.482
311 HB3 LEU 43 HB3 LEU 43 9.904 3.565 -4.358
312 HG LEU 43 HG LEU 43 7.130 3.805 -5.594
313 HD11 LEU 43 HD11 LEU 43 7.497 5.561 -3.936
314 HD12 LEU 43 HD12 LEU 43 7.504 6.229 -5.564
315 HD13 LEU 43 HD13 LEU 43 9.029 6.006 -4.700
316 HD21 LEU 43 HD21 LEU 43 8.817 3.164 -7.241
317 HD22 LEU 43 HD22 LEU 43 9.856 4.502 -6.741
318 HD23 LEU 43 HD23 LEU 43 8.295 4.825 -7.504
319 H HIS 44 H HIS 44 8.417 0.680 -2.480
320 HA HIS 44 HA HIS 44 11.271 0.043 -1.895
321 HB2 HIS 44 HB2 HIS 44 9.346 1.464 0.013
322 HB3 HIS 44 HB3 HIS 44 11.025 1.045 0.341
323 HD1 HIS 44 HD1 HIS 44 12.731 2.221 -1.555
324 HD2 HIS 44 HD2 HIS 44 9.071 4.050 -0.827
325 HE1 HIS 44 HE1 HIS 44 12.949 4.538 -2.490
326 HE2 HIS 44 HE2 HIS 44 10.793 5.669 -1.868
327 H GLY 45 H GLY 45 8.247 -1.290 -2.123
328 HA2 GLY 45 HA2 GLY 45 7.810 -3.550 -1.783
329 HA3 GLY 45 HA3 GLY 45 9.137 -3.654 -0.644
330 H VAL 46 H VAL 46 8.599 -1.945 1.298
331 HA VAL 46 HA VAL 46 6.356 -3.185 2.677
332 HB VAL 46 HB VAL 46 7.191 -2.025 4.677
333 HG11 VAL 46 HG11 VAL 46 8.219 -4.169 4.095
334 HG12 VAL 46 HG12 VAL 46 9.410 -3.113 4.849
335 HG13 VAL 46 HG13 VAL 46 9.431 -3.353 3.100
336 HG21 VAL 46 HG21 VAL 46 7.908 0.109 3.690
337 HG22 VAL 46 HG22 VAL 46 9.230 -0.694 2.840
338 HG23 VAL 46 HG23 VAL 46 9.239 -0.606 4.603
339 HA PRO 47 HA PRO 47 3.351 0.205 2.411
340 HB2 PRO 47 HB2 PRO 47 2.954 0.023 5.391
341 HB3 PRO 47 HB3 PRO 47 1.768 -0.151 4.077
342 HG2 PRO 47 HG2 PRO 47 2.604 -2.285 5.432
343 HG3 PRO 47 HG3 PRO 47 2.320 -2.384 3.678
344 HD2 PRO 47 HD2 PRO 47 4.944 -2.113 5.154
345 HD3 PRO 47 HD3 PRO 47 4.530 -3.147 3.767
346 H ARG 48 H ARG 48 2.894 2.363 3.198
347 HA ARG 48 HA ARG 48 5.171 3.996 3.565
348 HB2 ARG 48 HB2 ARG 48 3.160 4.735 2.342
349 HB3 ARG 48 HB3 ARG 48 2.195 4.615 3.806
350 HG2 ARG 48 HG2 ARG 48 3.578 6.446 4.808
351 HG3 ARG 48 HG3 ARG 48 4.430 6.605 3.276
352 HD2 ARG 48 HD2 ARG 48 2.511 7.399 2.144
353 HD3 ARG 48 HD3 ARG 48 1.406 6.812 3.391
354 HE ARG 48 HE ARG 48 2.894 8.652 4.728
355 HH11 ARG 48 HH11 ARG 48 1.121 8.834 1.675
356 HH12 ARG 48 HH12 ARG 48 0.734 10.516 1.867
357 HH21 ARG 48 HH21 ARG 48 2.281 10.838 4.997
358 HH22 ARG 48 HH22 ARG 48 1.389 11.643 3.740
359 HA PRO 49 HA PRO 49 5.124 3.490 8.148
360 HB2 PRO 49 HB2 PRO 49 7.563 4.650 8.647
361 HB3 PRO 49 HB3 PRO 49 7.400 2.993 8.025
362 HG2 PRO 49 HG2 PRO 49 8.039 5.506 6.525
363 HG3 PRO 49 HG3 PRO 49 8.760 3.888 6.365
364 HD2 PRO 49 HD2 PRO 49 6.839 4.840 4.659
365 HD3 PRO 49 HD3 PRO 49 7.040 3.113 5.014
366 H LEU 50 H LEU 50 3.741 4.838 9.095
367 HA LEU 50 HA LEU 50 3.599 7.668 8.476
368 HB2 LEU 50 HB2 LEU 50 1.996 6.052 10.503
369 HB3 LEU 50 HB3 LEU 50 1.588 7.650 9.881
370 HG LEU 50 HG LEU 50 1.642 5.083 8.246
371 HD11 LEU 50 HD11 LEU 50 -0.785 5.245 8.242
372 HD12 LEU 50 HD12 LEU 50 -0.728 6.677 9.273
373 HD13 LEU 50 HD13 LEU 50 -0.170 5.115 9.884
374 HD21 LEU 50 HD21 LEU 50 0.781 7.878 7.414
375 HD22 LEU 50 HD22 LEU 50 0.592 6.406 6.455
376 HD23 LEU 50 HD23 LEU 50 2.204 6.998 6.844
377 H ALA 51 H ALA 51 4.219 5.644 11.311
378 HA ALA 51 HA ALA 51 5.159 7.993 12.866
379 HB1 ALA 51 HB1 ALA 51 3.741 5.480 13.854
380 HB2 ALA 51 HB2 ALA 51 3.033 7.093 13.726
381 HB3 ALA 51 HB3 ALA 51 4.344 6.793 14.867
382 H MET 52 H MET 52 7.284 7.928 13.196
383 HA MET 52 HA MET 52 8.616 5.394 13.946
384 HB2 MET 52 HB2 MET 52 9.658 7.501 11.996
385 HB3 MET 52 HB3 MET 52 10.750 6.417 12.845
386 HG2 MET 52 HG2 MET 52 9.568 4.480 11.810
387 HG3 MET 52 HG3 MET 52 8.603 5.625 10.866
388 HE1 MET 52 HE1 MET 52 10.852 3.192 9.965
389 HE2 MET 52 HE2 MET 52 11.467 3.944 8.494
390 HE3 MET 52 HE3 MET 52 9.735 3.935 8.819
391 H ARG 53 H ARG 53 9.230 5.602 16.011
392 HA ARG 53 HA ARG 53 9.738 8.105 17.366
393 HB2 ARG 53 HB2 ARG 53 10.717 5.395 18.385
394 HB3 ARG 53 HB3 ARG 53 10.178 6.785 19.318
395 HG2 ARG 53 HG2 ARG 53 8.413 4.931 17.705
396 HG3 ARG 53 HG3 ARG 53 8.601 4.907 19.456
397 HD2 ARG 53 HD2 ARG 53 7.632 7.174 19.583
398 HD3 ARG 53 HD3 ARG 53 7.430 7.189 17.827
399 HE ARG 53 HE ARG 53 6.011 5.097 18.266
400 HH11 ARG 53 HH11 ARG 53 6.128 7.859 20.440
401 HH12 ARG 53 HH12 ARG 53 4.528 7.597 21.058
402 HH21 ARG 53 HH21 ARG 53 3.932 4.751 19.074
403 HH22 ARG 53 HH22 ARG 53 3.278 5.820 20.278
404 H LYS 54 H LYS 54 11.765 5.284 16.842
405 HA LYS 54 HA LYS 54 13.659 6.693 15.158
406 HB2 LYS 54 HB2 LYS 54 14.640 6.866 17.513
407 HB3 LYS 54 HB3 LYS 54 14.614 5.109 17.616
408 HG2 LYS 54 HG2 LYS 54 16.865 5.893 17.090
409 HG3 LYS 54 HG3 LYS 54 16.211 4.977 15.725
410 HD2 LYS 54 HD2 LYS 54 15.628 7.130 14.593
411 HD3 LYS 54 HD3 LYS 54 16.331 8.017 15.950
412 HE2 LYS 54 HE2 LYS 54 18.537 7.015 15.451
413 HE3 LYS 54 HE3 LYS 54 17.821 6.128 14.099
414 HZ1 LYS 54 HZ1 LYS 54 17.271 8.233 13.042
415 HZ2 LYS 54 HZ2 LYS 54 18.928 8.144 13.359
416 HZ3 LYS 54 HZ3 LYS 54 17.935 9.093 14.340
417 H GLU 55 H GLU 55 12.466 5.415 13.660
418 HA GLU 55 HA GLU 55 11.224 3.747 12.823
419 HB2 GLU 55 HB2 GLU 55 13.549 2.062 13.835
420 HB3 GLU 55 HB3 GLU 55 12.210 1.373 12.926
421 HG2 GLU 55 HG2 GLU 55 14.127 1.768 11.469
422 HG3 GLU 55 HG3 GLU 55 12.767 2.781 10.992
423 H GLY 56 H GLY 56 12.201 1.538 15.388
424 HA2 GLY 56 HA2 GLY 56 11.172 0.736 17.259
425 HA3 GLY 56 HA3 GLY 56 10.911 2.431 17.606
426 H ILE 57 H ILE 57 9.388 0.481 15.052
427 HA ILE 57 HA ILE 57 6.785 1.405 15.814
428 HB ILE 57 HB ILE 57 5.953 -0.115 13.914
429 HG12 ILE 57 HG12 ILE 57 8.099 -0.503 12.233
430 HG13 ILE 57 HG13 ILE 57 8.887 -0.802 13.774
431 HG21 ILE 57 HG21 ILE 57 6.743 1.447 12.166
432 HG22 ILE 57 HG22 ILE 57 7.998 2.045 13.252
433 HG23 ILE 57 HG23 ILE 57 6.295 2.298 13.644
434 HD11 ILE 57 HD11 ILE 57 6.458 -2.271 12.738
435 HD12 ILE 57 HD12 ILE 57 7.335 -2.625 14.230
436 HD13 ILE 57 HD13 ILE 57 8.122 -2.847 12.669
437 H GLN 58 H GLN 58 5.935 0.680 17.625
438 HA GLN 58 HA GLN 58 5.999 -2.210 18.316
439 HB2 GLN 58 HB2 GLN 58 5.480 0.175 20.172
440 HB3 GLN 58 HB3 GLN 58 5.612 -1.514 20.656
441 HG2 GLN 58 HG2 GLN 58 8.005 -1.492 19.926
442 HG3 GLN 58 HG3 GLN 58 7.845 0.228 19.562
443 HE21 GLN 58 HE21 GLN 58 9.639 -1.008 21.462
444 HE22 GLN 58 HE22 GLN 58 9.263 -0.351 23.014
445 H THR 59 H THR 59 4.076 -3.278 18.360
446 HA THR 59 HA THR 59 1.673 -2.082 19.306
447 HB THR 59 HB THR 59 1.553 -1.263 16.934
448 HG1 THR 59 HG1 THR 59 -0.450 -3.244 17.303
449 HG21 THR 59 HG21 THR 59 2.722 -3.124 15.768
450 HG22 THR 59 HG22 THR 59 1.121 -2.842 15.080
451 HG23 THR 59 HG23 THR 59 1.383 -4.206 16.164
452 H ARG 60 H ARG 60 0.227 -3.625 19.984
453 HA ARG 60 HA ARG 60 0.799 -6.483 19.536
454 HB2 ARG 60 HB2 ARG 60 -1.266 -5.200 21.383
455 HB3 ARG 60 HB3 ARG 60 -0.829 -6.908 21.325
456 HG2 ARG 60 HG2 ARG 60 1.498 -6.249 22.076
457 HG3 ARG 60 HG3 ARG 60 0.891 -4.602 22.291
458 HD2 ARG 60 HD2 ARG 60 -0.847 -5.539 23.871
459 HD3 ARG 60 HD3 ARG 60 -0.024 -7.100 23.748
460 HE ARG 60 HE ARG 60 1.860 -5.142 24.472
461 HH11 ARG 60 HH11 ARG 60 -0.934 -6.770 25.901
462 HH12 ARG 60 HH12 ARG 60 -0.362 -6.568 27.528
463 HH21 ARG 60 HH21 ARG 60 2.571 -4.856 26.611
464 HH22 ARG 60 HH22 ARG 60 1.627 -5.481 27.929
465 H LYS 61 H LYS 61 -0.992 -7.849 18.783
466 HA LYS 61 HA LYS 61 -3.142 -6.388 17.339
467 HB2 LYS 61 HB2 LYS 61 -3.222 -8.228 15.707
468 HB3 LYS 61 HB3 LYS 61 -1.638 -7.464 15.727
469 HG2 LYS 61 HG2 LYS 61 -0.692 -9.356 16.967
470 HG3 LYS 61 HG3 LYS 61 -2.293 -10.102 17.092
471 HD2 LYS 61 HD2 LYS 61 -2.379 -10.232 14.577
472 HD3 LYS 61 HD3 LYS 61 -0.729 -9.600 14.523
473 HE2 LYS 61 HE2 LYS 61 -1.550 -12.191 15.882
474 HE3 LYS 61 HE3 LYS 61 -0.831 -12.069 14.279
475 HZ1 LYS 61 HZ1 LYS 61 0.814 -12.627 15.946
476 HZ2 LYS 61 HZ2 LYS 61 0.461 -11.216 16.811
477 HZ3 LYS 61 HZ3 LYS 61 1.144 -11.112 15.269
478 H ARG 62 H ARG 62 -5.168 -6.907 17.828
479 HA ARG 62 HA ARG 62 -5.736 -8.718 20.023
480 HB2 ARG 62 HB2 ARG 62 -7.553 -6.903 18.381
481 HB3 ARG 62 HB3 ARG 62 -8.084 -7.849 19.769
482 HG2 ARG 62 HG2 ARG 62 -6.641 -6.569 21.258
483 HG3 ARG 62 HG3 ARG 62 -5.949 -5.690 19.892
484 HD2 ARG 62 HD2 ARG 62 -7.622 -4.338 21.088
485 HD3 ARG 62 HD3 ARG 62 -8.120 -4.654 19.424
486 HE ARG 62 HE ARG 62 -9.184 -6.549 21.324
487 HH11 ARG 62 HH11 ARG 62 -9.728 -3.395 19.852
488 HH12 ARG 62 HH12 ARG 62 -11.441 -3.417 20.146
489 HH21 ARG 62 HH21 ARG 62 -11.445 -6.567 21.697
490 HH22 ARG 62 HH22 ARG 62 -12.403 -5.210 21.189
491 H LYS 63 H LYS 63 -5.201 -10.712 19.044
492 HA LYS 63 HA LYS 63 -6.788 -11.791 16.874
493 HB2 LYS 63 HB2 LYS 63 -4.366 -12.509 17.623
494 HB3 LYS 63 HB3 LYS 63 -5.166 -13.453 18.867
495 HG2 LYS 63 HG2 LYS 63 -5.566 -13.794 15.868
496 HG3 LYS 63 HG3 LYS 63 -4.520 -14.791 16.873
497 HD2 LYS 63 HD2 LYS 63 -7.545 -14.588 17.146
498 HD3 LYS 63 HD3 LYS 63 -6.675 -15.898 16.350
499 HE2 LYS 63 HE2 LYS 63 -5.704 -16.629 18.431
500 HE3 LYS 63 HE3 LYS 63 -6.279 -15.187 19.275
501 HZ1 LYS 63 HZ1 LYS 63 -7.688 -17.057 19.788
502 HZ2 LYS 63 HZ2 LYS 63 -7.981 -17.355 18.150
503 HZ3 LYS 63 HZ3 LYS 63 -8.570 -15.944 18.869
Start of MODEL 16
1 H1 SER 1 H1 SER 1 -30.994 6.149 4.632
2 H2 SER 1 H2 SER 1 -32.634 6.223 5.042
3 H3 SER 1 H3 SER 1 -31.899 7.522 4.247
4 HA SER 1 HA SER 1 -32.250 4.811 3.124
5 HB2 SER 1 HB2 SER 1 -34.413 6.072 3.407
6 HB3 SER 1 HB3 SER 1 -33.756 7.378 2.419
7 HG SER 1 HG SER 1 -33.988 4.695 1.515
8 H HIS 2 H HIS 2 -30.027 4.825 2.560
9 HA HIS 2 HA HIS 2 -29.394 6.383 0.140
10 HB2 HIS 2 HB2 HIS 2 -27.654 6.066 2.602
11 HB3 HIS 2 HB3 HIS 2 -26.886 6.191 1.021
12 HD2 HIS 2 HD2 HIS 2 -28.596 8.458 3.649
13 HE1 HIS 2 HE1 HIS 2 -27.608 10.822 0.279
14 HE2 HIS 2 HE2 HIS 2 -28.395 10.860 2.685
15 H MET 3 H MET 3 -28.580 5.267 -1.444
16 HA MET 3 HA MET 3 -27.396 2.606 -1.146
17 HB2 MET 3 HB2 MET 3 -29.863 2.231 -1.512
18 HB3 MET 3 HB3 MET 3 -29.770 3.146 -3.008
19 HG2 MET 3 HG2 MET 3 -28.260 1.442 -3.953
20 HG3 MET 3 HG3 MET 3 -28.343 0.528 -2.443
21 HE1 MET 3 HE1 MET 3 -30.449 -1.694 -4.942
22 HE2 MET 3 HE2 MET 3 -29.081 -1.665 -3.831
23 HE3 MET 3 HE3 MET 3 -29.012 -0.751 -5.339
24 H SER 4 H SER 4 -28.265 5.399 -3.106
25 HA SER 4 HA SER 4 -26.410 4.872 -5.259
26 HB2 SER 4 HB2 SER 4 -27.180 7.157 -6.031
27 HB3 SER 4 HB3 SER 4 -28.505 6.026 -5.757
28 HG SER 4 HG SER 4 -29.221 7.242 -4.194
29 H ALA 5 H ALA 5 -26.692 7.375 -2.698
30 HA ALA 5 HA ALA 5 -24.005 8.408 -3.278
31 HB1 ALA 5 HB1 ALA 5 -24.689 10.327 -1.887
32 HB2 ALA 5 HB2 ALA 5 -26.197 9.506 -1.475
33 HB3 ALA 5 HB3 ALA 5 -25.890 9.998 -3.140
34 H SER 6 H SER 6 -23.603 5.993 -2.263
35 HA SER 6 HA SER 6 -23.075 6.137 0.616
36 HB2 SER 6 HB2 SER 6 -23.921 3.998 -0.393
37 HB3 SER 6 HB3 SER 6 -22.454 3.891 -1.368
38 HG SER 6 HG SER 6 -21.256 3.630 0.492
39 H ARG 7 H ARG 7 -21.745 8.073 0.134
40 HA ARG 7 HA ARG 7 -19.134 7.665 -1.150
41 HB2 ARG 7 HB2 ARG 7 -18.898 10.156 -0.860
42 HB3 ARG 7 HB3 ARG 7 -20.292 9.673 -1.819
43 HG2 ARG 7 HG2 ARG 7 -21.809 10.133 0.008
44 HG3 ARG 7 HG3 ARG 7 -20.468 10.413 1.119
45 HD2 ARG 7 HD2 ARG 7 -21.066 12.115 -1.325
46 HD3 ARG 7 HD3 ARG 7 -21.555 12.510 0.325
47 HE ARG 7 HE ARG 7 -18.956 12.275 0.704
48 HH11 ARG 7 HH11 ARG 7 -20.561 13.919 -1.973
49 HH12 ARG 7 HH12 ARG 7 -19.268 15.057 -2.190
50 HH21 ARG 7 HH21 ARG 7 -17.312 13.770 0.429
51 HH22 ARG 7 HH22 ARG 7 -17.412 14.969 -0.821
52 H ARG 8 H ARG 8 -20.517 8.353 2.014
53 HA ARG 8 HA ARG 8 -17.927 8.744 3.306
54 HB2 ARG 8 HB2 ARG 8 -20.142 10.048 3.770
55 HB3 ARG 8 HB3 ARG 8 -20.647 8.630 4.678
56 HG2 ARG 8 HG2 ARG 8 -18.716 8.921 6.205
57 HG3 ARG 8 HG3 ARG 8 -18.188 10.325 5.273
58 HD2 ARG 8 HD2 ARG 8 -20.468 11.371 5.804
59 HD3 ARG 8 HD3 ARG 8 -20.701 10.047 6.955
60 HE ARG 8 HE ARG 8 -18.219 11.397 7.382
61 HH11 ARG 8 HH11 ARG 8 -21.662 11.681 8.008
62 HH12 ARG 8 HH12 ARG 8 -21.454 12.715 9.383
63 HH21 ARG 8 HH21 ARG 8 -17.957 12.846 9.118
64 HH22 ARG 8 HH22 ARG 8 -19.344 13.374 10.019
65 H VAL 9 H VAL 9 -20.188 6.213 2.709
66 HA VAL 9 HA VAL 9 -18.925 4.374 4.664
67 HB VAL 9 HB VAL 9 -21.543 4.006 3.111
68 HG11 VAL 9 HG11 VAL 9 -20.484 1.861 3.697
69 HG12 VAL 9 HG12 VAL 9 -21.959 2.099 4.630
70 HG13 VAL 9 HG13 VAL 9 -20.385 2.351 5.391
71 HG21 VAL 9 HG21 VAL 9 -21.771 5.847 4.737
72 HG22 VAL 9 HG22 VAL 9 -21.174 4.808 6.032
73 HG23 VAL 9 HG23 VAL 9 -22.717 4.448 5.253
74 H GLY 10 H GLY 10 -17.642 2.751 3.884
75 HA2 GLY 10 HA2 GLY 10 -17.878 1.243 1.608
76 HA3 GLY 10 HA3 GLY 10 -16.951 2.649 1.084
77 H LEU 11 H LEU 11 -14.783 2.745 1.559
78 HA LEU 11 HA LEU 11 -13.602 0.667 3.330
79 HB2 LEU 11 HB2 LEU 11 -12.596 1.503 0.570
80 HB3 LEU 11 HB3 LEU 11 -11.716 0.456 1.672
81 HG LEU 11 HG LEU 11 -14.408 -0.223 0.413
82 HD11 LEU 11 HD11 LEU 11 -13.182 -1.809 -0.993
83 HD12 LEU 11 HD12 LEU 11 -11.651 -1.268 -0.302
84 HD13 LEU 11 HD13 LEU 11 -12.622 -0.159 -1.270
85 HD21 LEU 11 HD21 LEU 11 -14.023 -2.513 1.278
86 HD22 LEU 11 HD22 LEU 11 -14.138 -1.339 2.586
87 HD23 LEU 11 HD23 LEU 11 -12.558 -1.960 2.097
88 H SER 12 H SER 12 -11.421 1.220 4.074
89 HA SER 12 HA SER 12 -10.476 3.972 3.686
90 HB2 SER 12 HB2 SER 12 -10.796 2.702 6.436
91 HB3 SER 12 HB3 SER 12 -10.026 4.249 6.113
92 HG SER 12 HG SER 12 -12.464 4.230 5.028
93 H CYS 13 H CYS 13 -8.250 4.139 3.773
94 HA CYS 13 HA CYS 13 -6.568 2.063 3.057
95 HB2 CYS 13 HB2 CYS 13 -6.041 4.458 2.759
96 HB3 CYS 13 HB3 CYS 13 -5.855 4.655 4.500
97 H ALA 14 H ALA 14 -6.164 0.288 4.219
98 HA ALA 14 HA ALA 14 -6.546 -0.112 6.956
99 HB1 ALA 14 HB1 ALA 14 -4.789 -1.737 5.075
100 HB2 ALA 14 HB2 ALA 14 -6.531 -1.930 5.274
101 HB3 ALA 14 HB3 ALA 14 -5.442 -2.293 6.615
102 H ASN 15 H ASN 15 -3.823 1.303 5.365
103 HA ASN 15 HA ASN 15 -1.925 0.824 7.545
104 HB2 ASN 15 HB2 ASN 15 -1.066 0.547 5.275
105 HB3 ASN 15 HB3 ASN 15 -1.621 2.149 4.809
106 HD21 ASN 15 HD21 ASN 15 -0.270 3.865 5.158
107 HD22 ASN 15 HD22 ASN 15 1.260 3.770 5.944
108 H CYS 16 H CYS 16 -2.917 3.784 5.714
109 HA CYS 16 HA CYS 16 -1.956 5.454 7.946
110 HB2 CYS 16 HB2 CYS 16 -2.063 7.337 6.352
111 HB3 CYS 16 HB3 CYS 16 -1.152 5.992 5.668
112 H GLN 17 H GLN 17 -4.908 4.356 6.656
113 HA GLN 17 HA GLN 17 -7.073 4.647 7.044
114 HB2 GLN 17 HB2 GLN 17 -6.151 6.079 9.566
115 HB3 GLN 17 HB3 GLN 17 -7.819 5.616 9.247
116 HG2 GLN 17 HG2 GLN 17 -5.535 3.624 9.330
117 HG3 GLN 17 HG3 GLN 17 -6.508 4.046 10.737
118 HE21 GLN 17 HE21 GLN 17 -7.159 1.879 10.918
119 HE22 GLN 17 HE22 GLN 17 -8.328 1.174 9.863
120 H THR 18 H THR 18 -7.286 5.805 5.173
121 HA THR 18 HA THR 18 -8.487 8.444 5.528
122 HB THR 18 HB THR 18 -6.187 8.963 4.722
123 HG1 THR 18 HG1 THR 18 -6.853 10.266 2.994
124 HG21 THR 18 HG21 THR 18 -5.680 6.890 3.452
125 HG22 THR 18 HG22 THR 18 -5.445 8.326 2.454
126 HG23 THR 18 HG23 THR 18 -6.887 7.332 2.239
127 H THR 19 H THR 19 -10.075 8.889 3.955
128 HA THR 19 HA THR 19 -11.088 6.564 2.407
129 HB THR 19 HB THR 19 -13.311 7.824 2.565
130 HG1 THR 19 HG1 THR 19 -13.381 9.496 4.193
131 HG21 THR 19 HG21 THR 19 -12.047 7.069 5.239
132 HG22 THR 19 HG22 THR 19 -12.815 5.943 4.121
133 HG23 THR 19 HG23 THR 19 -13.780 7.192 4.909
134 H THR 20 H THR 20 -9.257 9.209 1.890
135 HA THR 20 HA THR 20 -10.635 10.227 -0.515
136 HB THR 20 HB THR 20 -8.293 11.450 1.020
137 HG1 THR 20 HG1 THR 20 -11.033 11.484 1.421
138 HG21 THR 20 HG21 THR 20 -8.433 12.247 -1.333
139 HG22 THR 20 HG22 THR 20 -8.867 13.531 -0.205
140 HG23 THR 20 HG23 THR 20 -10.128 12.671 -1.090
141 H THR 21 H THR 21 -10.089 8.492 -1.868
142 HA THR 21 HA THR 21 -7.751 8.908 -3.432
143 HB THR 21 HB THR 21 -6.634 7.516 -1.736
144 HG1 THR 21 HG1 THR 21 -6.711 5.571 -3.645
145 HG21 THR 21 HG21 THR 21 -8.544 6.251 -0.852
146 HG22 THR 21 HG22 THR 21 -7.267 5.153 -1.377
147 HG23 THR 21 HG23 THR 21 -8.697 5.381 -2.380
148 H THR 22 H THR 22 -7.942 7.875 -5.476
149 HA THR 22 HA THR 22 -10.515 6.558 -6.094
150 HB THR 22 HB THR 22 -9.863 6.987 -8.497
151 HG1 THR 22 HG1 THR 22 -7.875 7.580 -8.909
152 HG21 THR 22 HG21 THR 22 -9.839 9.493 -6.759
153 HG22 THR 22 HG22 THR 22 -11.284 8.650 -7.328
154 HG23 THR 22 HG23 THR 22 -10.209 9.430 -8.485
155 H LEU 23 H LEU 23 -7.079 6.063 -5.894
156 HA LEU 23 HA LEU 23 -7.167 3.446 -7.232
157 HB2 LEU 23 HB2 LEU 23 -5.394 5.036 -7.904
158 HB3 LEU 23 HB3 LEU 23 -4.826 5.127 -6.247
159 HG LEU 23 HG LEU 23 -4.132 2.737 -6.346
160 HD11 LEU 23 HD11 LEU 23 -4.097 1.509 -8.476
161 HD12 LEU 23 HD12 LEU 23 -4.991 2.816 -9.254
162 HD13 LEU 23 HD13 LEU 23 -5.747 1.878 -7.965
163 HD21 LEU 23 HD21 LEU 23 -2.481 4.479 -6.903
164 HD22 LEU 23 HD22 LEU 23 -2.955 4.406 -8.601
165 HD23 LEU 23 HD23 LEU 23 -2.190 3.011 -7.836
166 H TRP 24 H TRP 24 -8.116 2.094 -5.765
167 HA TRP 24 HA TRP 24 -7.066 1.830 -3.028
168 HB2 TRP 24 HB2 TRP 24 -9.450 0.569 -4.455
169 HB3 TRP 24 HB3 TRP 24 -8.911 0.026 -2.869
170 HD1 TRP 24 HD1 TRP 24 -11.171 2.578 -4.434
171 HE1 TRP 24 HE1 TRP 24 -12.024 4.208 -2.630
172 HE3 TRP 24 HE3 TRP 24 -7.999 1.319 -0.622
173 HZ2 TRP 24 HZ2 TRP 24 -11.436 4.869 0.061
174 HZ3 TRP 24 HZ3 TRP 24 -8.203 2.501 1.522
175 HH2 TRP 24 HH2 TRP 24 -9.886 4.240 1.854
176 H ARG 25 H ARG 25 -4.999 1.025 -3.428
177 HA ARG 25 HA ARG 25 -4.585 -1.416 -4.963
178 HB2 ARG 25 HB2 ARG 25 -2.603 0.069 -3.174
179 HB3 ARG 25 HB3 ARG 25 -2.217 -1.214 -4.314
180 HG2 ARG 25 HG2 ARG 25 -3.251 0.417 -6.100
181 HG3 ARG 25 HG3 ARG 25 -2.981 1.646 -4.867
182 HD2 ARG 25 HD2 ARG 25 -1.073 1.641 -6.337
183 HD3 ARG 25 HD3 ARG 25 -0.560 0.948 -4.793
184 HE ARG 25 HE ARG 25 -1.281 -0.696 -7.146
185 HH11 ARG 25 HH11 ARG 25 0.974 -0.058 -4.519
186 HH12 ARG 25 HH12 ARG 25 1.960 -1.428 -4.893
187 HH21 ARG 25 HH21 ARG 25 -0.013 -2.485 -7.575
188 HH22 ARG 25 HH22 ARG 25 1.401 -2.805 -6.625
189 H ARG 26 H ARG 26 -3.183 -3.176 -3.804
190 HA ARG 26 HA ARG 26 -4.425 -3.859 -1.179
191 HB2 ARG 26 HB2 ARG 26 -3.295 -5.853 -3.208
192 HB3 ARG 26 HB3 ARG 26 -4.274 -6.205 -1.791
193 HG2 ARG 26 HG2 ARG 26 -5.200 -4.796 -4.307
194 HG3 ARG 26 HG3 ARG 26 -5.584 -6.453 -3.850
195 HD2 ARG 26 HD2 ARG 26 -7.020 -5.729 -2.078
196 HD3 ARG 26 HD3 ARG 26 -6.398 -4.076 -2.143
197 HE ARG 26 HE ARG 26 -7.456 -4.565 -4.635
198 HH11 ARG 26 HH11 ARG 26 -8.752 -4.442 -1.374
199 HH12 ARG 26 HH12 ARG 26 -10.330 -3.948 -1.898
200 HH21 ARG 26 HH21 ARG 26 -9.506 -3.958 -5.307
201 HH22 ARG 26 HH22 ARG 26 -10.763 -3.678 -4.143
202 H ASN 27 H ASN 27 -3.043 -4.124 0.514
203 HA ASN 27 HA ASN 27 -0.190 -3.682 0.092
204 HB2 ASN 27 HB2 ASN 27 -0.042 -3.389 2.507
205 HB3 ASN 27 HB3 ASN 27 -1.421 -2.480 1.906
206 HD21 ASN 27 HD21 ASN 27 -3.510 -3.132 2.538
207 HD22 ASN 27 HD22 ASN 27 -3.756 -4.239 3.839
208 H ALA 28 H ALA 28 0.943 -5.103 2.192
209 HA ALA 28 HA ALA 28 1.705 -7.523 1.149
210 HB1 ALA 28 HB1 ALA 28 2.648 -8.033 3.366
211 HB2 ALA 28 HB2 ALA 28 1.650 -6.766 4.092
212 HB3 ALA 28 HB3 ALA 28 2.916 -6.342 2.940
213 H GLU 29 H GLU 29 -0.734 -7.003 3.674
214 HA GLU 29 HA GLU 29 -1.572 -9.736 3.921
215 HB2 GLU 29 HB2 GLU 29 -2.900 -7.143 4.830
216 HB3 GLU 29 HB3 GLU 29 -3.385 -8.761 5.341
217 HG2 GLU 29 HG2 GLU 29 -1.256 -9.108 6.469
218 HG3 GLU 29 HG3 GLU 29 -0.635 -7.583 5.839
219 H GLY 30 H GLY 30 -2.443 -7.101 1.824
220 HA2 GLY 30 HA2 GLY 30 -3.531 -7.403 -0.263
221 HA3 GLY 30 HA3 GLY 30 -4.382 -8.794 0.390
222 H GLU 31 H GLU 31 -4.426 -6.246 2.588
223 HA GLU 31 HA GLU 31 -7.240 -5.737 2.223
224 HB2 GLU 31 HB2 GLU 31 -5.237 -4.502 4.172
225 HB3 GLU 31 HB3 GLU 31 -6.978 -4.272 4.237
226 HG2 GLU 31 HG2 GLU 31 -5.516 -6.899 4.608
227 HG3 GLU 31 HG3 GLU 31 -6.225 -5.922 5.892
228 HA PRO 32 HA PRO 32 -7.053 -2.155 -0.391
229 HB2 PRO 32 HB2 PRO 32 -9.177 -0.623 0.457
230 HB3 PRO 32 HB3 PRO 32 -9.386 -2.159 -0.407
231 HG2 PRO 32 HG2 PRO 32 -9.517 -1.638 2.551
232 HG3 PRO 32 HG3 PRO 32 -10.628 -2.580 1.526
233 HD2 PRO 32 HD2 PRO 32 -8.727 -3.789 3.018
234 HD3 PRO 32 HD3 PRO 32 -9.191 -4.417 1.420
235 H VAL 33 H VAL 33 -5.396 -0.792 -0.214
236 HA VAL 33 HA VAL 33 -5.307 1.242 1.931
237 HB VAL 33 HB VAL 33 -2.842 1.450 1.454
238 HG11 VAL 33 HG11 VAL 33 -3.595 0.161 3.396
239 HG12 VAL 33 HG12 VAL 33 -2.138 -0.560 2.709
240 HG13 VAL 33 HG13 VAL 33 -3.713 -1.302 2.413
241 HG21 VAL 33 HG21 VAL 33 -3.194 -1.086 -0.214
242 HG22 VAL 33 HG22 VAL 33 -1.649 -0.347 0.215
243 HG23 VAL 33 HG23 VAL 33 -2.773 0.514 -0.835
244 H CYS 34 H CYS 34 -4.499 3.310 1.262
245 HA CYS 34 HA CYS 34 -5.796 4.312 -1.062
246 HB2 CYS 34 HB2 CYS 34 -4.828 6.500 -0.334
247 HB3 CYS 34 HB3 CYS 34 -5.624 5.648 0.993
248 H ASN 35 H ASN 35 -4.638 5.832 -2.549
249 HA ASN 35 HA ASN 35 -2.695 4.681 -4.174
250 HB2 ASN 35 HB2 ASN 35 -4.132 6.465 -4.999
251 HB3 ASN 35 HB3 ASN 35 -3.520 7.597 -3.803
252 HD21 ASN 35 HD21 ASN 35 -1.496 5.432 -5.774
253 HD22 ASN 35 HD22 ASN 35 -0.747 6.690 -6.684
254 H ALA 36 H ALA 36 -2.341 7.177 -1.661
255 HA ALA 36 HA ALA 36 0.388 7.742 -1.943
256 HB1 ALA 36 HB1 ALA 36 -1.316 8.026 0.548
257 HB2 ALA 36 HB2 ALA 36 -1.198 9.201 -0.764
258 HB3 ALA 36 HB3 ALA 36 0.215 8.852 0.229
259 H CYS 37 H CYS 37 -1.173 5.202 -0.010
260 HA CYS 37 HA CYS 37 1.298 4.372 1.326
261 HB2 CYS 37 HB2 CYS 37 -1.493 3.122 1.297
262 HB3 CYS 37 HB3 CYS 37 -0.161 2.592 2.326
263 H GLY 38 H GLY 38 -0.678 3.495 -1.436
264 HA2 GLY 38 HA2 GLY 38 0.372 0.868 -1.910
265 HA3 GLY 38 HA3 GLY 38 -0.582 1.835 -3.020
266 H LEU 39 H LEU 39 1.245 4.105 -3.015
267 HA LEU 39 HA LEU 39 2.994 3.484 -5.121
268 HB2 LEU 39 HB2 LEU 39 3.142 5.797 -3.142
269 HB3 LEU 39 HB3 LEU 39 4.072 5.698 -4.628
270 HG LEU 39 HG LEU 39 1.038 5.903 -4.471
271 HD11 LEU 39 HD11 LEU 39 2.137 7.997 -3.827
272 HD12 LEU 39 HD12 LEU 39 1.315 8.163 -5.375
273 HD13 LEU 39 HD13 LEU 39 3.070 7.984 -5.325
274 HD21 LEU 39 HD21 LEU 39 1.084 6.165 -6.912
275 HD22 LEU 39 HD22 LEU 39 1.736 4.599 -6.436
276 HD23 LEU 39 HD23 LEU 39 2.828 5.897 -6.922
277 H TYR 40 H TYR 40 3.506 3.704 -1.652
278 HA TYR 40 HA TYR 40 6.324 3.463 -1.630
279 HB2 TYR 40 HB2 TYR 40 4.523 4.209 0.262
280 HB3 TYR 40 HB3 TYR 40 4.741 2.542 0.779
281 HD1 TYR 40 HD1 TYR 40 7.410 1.817 0.795
282 HD2 TYR 40 HD2 TYR 40 5.903 5.782 1.344
283 HE1 TYR 40 HE1 TYR 40 9.487 2.442 1.940
284 HE2 TYR 40 HE2 TYR 40 7.992 6.397 2.488
285 HH TYR 40 HH TYR 40 10.773 4.449 2.456
286 H MET 41 H MET 41 3.707 1.066 -1.329
287 HA MET 41 HA MET 41 5.478 -1.182 -0.920
288 HB2 MET 41 HB2 MET 41 2.481 -0.983 -1.374
289 HB3 MET 41 HB3 MET 41 3.293 -2.544 -1.403
290 HG2 MET 41 HG2 MET 41 4.256 -1.803 0.911
291 HG3 MET 41 HG3 MET 41 2.902 -0.674 0.908
292 HE1 MET 41 HE1 MET 41 2.578 -2.223 3.337
293 HE2 MET 41 HE2 MET 41 3.794 -3.380 2.795
294 HE3 MET 41 HE3 MET 41 2.183 -3.941 3.257
295 H LYS 42 H LYS 42 4.228 0.415 -3.744
296 HA LYS 42 HA LYS 42 4.800 -1.744 -5.569
297 HB2 LYS 42 HB2 LYS 42 3.230 0.306 -5.928
298 HB3 LYS 42 HB3 LYS 42 4.680 1.216 -6.308
299 HG2 LYS 42 HG2 LYS 42 3.843 -1.295 -7.812
300 HG3 LYS 42 HG3 LYS 42 3.336 0.322 -8.280
301 HD2 LYS 42 HD2 LYS 42 6.223 -0.663 -8.192
302 HD3 LYS 42 HD3 LYS 42 5.254 -0.469 -9.652
303 HE2 LYS 42 HE2 LYS 42 6.071 1.770 -7.763
304 HE3 LYS 42 HE3 LYS 42 6.800 1.432 -9.329
305 HZ1 LYS 42 HZ1 LYS 42 3.968 2.177 -8.891
306 HZ2 LYS 42 HZ2 LYS 42 4.712 1.927 -10.386
307 HZ3 LYS 42 HZ3 LYS 42 5.183 3.225 -9.412
308 H LEU 43 H LEU 43 6.496 1.129 -4.386
309 HA LEU 43 HA LEU 43 8.787 0.905 -6.079
310 HB2 LEU 43 HB2 LEU 43 8.230 2.537 -3.576
311 HB3 LEU 43 HB3 LEU 43 9.697 2.699 -4.521
312 HG LEU 43 HG LEU 43 6.903 3.257 -5.602
313 HD11 LEU 43 HD11 LEU 43 9.010 5.239 -4.653
314 HD12 LEU 43 HD12 LEU 43 7.472 4.887 -3.859
315 HD13 LEU 43 HD13 LEU 43 7.485 5.652 -5.445
316 HD21 LEU 43 HD21 LEU 43 8.466 2.596 -7.377
317 HD22 LEU 43 HD22 LEU 43 9.638 3.796 -6.829
318 HD23 LEU 43 HD23 LEU 43 8.091 4.316 -7.504
319 H HIS 44 H HIS 44 8.185 0.043 -2.642
320 HA HIS 44 HA HIS 44 10.914 -1.129 -2.449
321 HB2 HIS 44 HB2 HIS 44 9.594 0.611 -0.312
322 HB3 HIS 44 HB3 HIS 44 11.179 -0.148 -0.198
323 HD1 HIS 44 HD1 HIS 44 12.887 0.674 -2.196
324 HD2 HIS 44 HD2 HIS 44 9.728 3.182 -1.221
325 HE1 HIS 44 HE1 HIS 44 13.443 2.883 -3.242
326 HE2 HIS 44 HE2 HIS 44 11.451 4.327 -2.777
327 H GLY 45 H GLY 45 7.672 -1.799 -2.170
328 HA2 GLY 45 HA2 GLY 45 6.629 -3.765 -1.561
329 HA3 GLY 45 HA3 GLY 45 8.172 -4.377 -0.991
330 H VAL 46 H VAL 46 7.730 -1.484 0.546
331 HA VAL 46 HA VAL 46 6.469 -2.690 2.945
332 HB VAL 46 HB VAL 46 7.964 -1.234 4.333
333 HG11 VAL 46 HG11 VAL 46 10.049 -2.565 4.062
334 HG12 VAL 46 HG12 VAL 46 9.467 -3.145 2.498
335 HG13 VAL 46 HG13 VAL 46 8.603 -3.574 3.975
336 HG21 VAL 46 HG21 VAL 46 9.963 -0.150 3.331
337 HG22 VAL 46 HG22 VAL 46 8.472 0.537 2.688
338 HG23 VAL 46 HG23 VAL 46 9.403 -0.605 1.718
339 HA PRO 47 HA PRO 47 3.539 0.578 2.666
340 HB2 PRO 47 HB2 PRO 47 2.682 0.968 5.204
341 HB3 PRO 47 HB3 PRO 47 2.456 -0.593 4.387
342 HG2 PRO 47 HG2 PRO 47 4.582 0.201 6.360
343 HG3 PRO 47 HG3 PRO 47 3.580 -1.271 6.320
344 HD2 PRO 47 HD2 PRO 47 6.135 -1.198 5.343
345 HD3 PRO 47 HD3 PRO 47 4.884 -2.278 4.686
346 H ARG 48 H ARG 48 2.860 2.767 3.393
347 HA ARG 48 HA ARG 48 4.938 4.682 3.643
348 HB2 ARG 48 HB2 ARG 48 2.676 5.012 2.554
349 HB3 ARG 48 HB3 ARG 48 1.952 5.043 4.160
350 HG2 ARG 48 HG2 ARG 48 3.157 7.086 4.709
351 HG3 ARG 48 HG3 ARG 48 4.055 7.011 3.191
352 HD2 ARG 48 HD2 ARG 48 1.920 7.250 1.941
353 HD3 ARG 48 HD3 ARG 48 1.058 7.392 3.475
354 HE ARG 48 HE ARG 48 2.243 9.472 3.880
355 HH11 ARG 48 HH11 ARG 48 2.335 8.326 0.561
356 HH12 ARG 48 HH12 ARG 48 2.634 9.898 -0.102
357 HH21 ARG 48 HH21 ARG 48 2.652 11.531 2.997
358 HH22 ARG 48 HH22 ARG 48 2.813 11.712 1.276
359 HA PRO 49 HA PRO 49 5.656 3.546 7.878
360 HB2 PRO 49 HB2 PRO 49 7.379 5.995 8.098
361 HB3 PRO 49 HB3 PRO 49 7.821 4.282 8.260
362 HG2 PRO 49 HG2 PRO 49 8.558 5.645 6.106
363 HG3 PRO 49 HG3 PRO 49 7.997 3.960 5.953
364 HD2 PRO 49 HD2 PRO 49 6.446 6.509 5.440
365 HD3 PRO 49 HD3 PRO 49 6.578 5.047 4.430
366 H LEU 50 H LEU 50 3.834 3.832 9.128
367 HA LEU 50 HA LEU 50 3.275 6.365 10.475
368 HB2 LEU 50 HB2 LEU 50 2.146 3.551 10.712
369 HB3 LEU 50 HB3 LEU 50 1.837 4.722 11.978
370 HG LEU 50 HG LEU 50 -0.078 4.593 10.458
371 HD11 LEU 50 HD11 LEU 50 0.363 6.776 11.512
372 HD12 LEU 50 HD12 LEU 50 -0.368 6.985 9.922
373 HD13 LEU 50 HD13 LEU 50 1.363 7.256 10.138
374 HD21 LEU 50 HD21 LEU 50 0.046 5.285 8.088
375 HD22 LEU 50 HD22 LEU 50 1.036 3.861 8.388
376 HD23 LEU 50 HD23 LEU 50 1.799 5.443 8.216
377 H ALA 51 H ALA 51 4.776 7.035 11.903
378 HA ALA 51 HA ALA 51 6.710 5.271 13.140
379 HB1 ALA 51 HB1 ALA 51 7.682 7.359 14.045
380 HB2 ALA 51 HB2 ALA 51 6.279 8.266 13.475
381 HB3 ALA 51 HB3 ALA 51 7.364 7.499 12.316
382 H MET 52 H MET 52 3.999 7.266 14.241
383 HA MET 52 HA MET 52 4.081 6.061 16.950
384 HB2 MET 52 HB2 MET 52 4.257 8.612 16.697
385 HB3 MET 52 HB3 MET 52 2.609 8.601 16.090
386 HG2 MET 52 HG2 MET 52 1.796 7.752 18.232
387 HG3 MET 52 HG3 MET 52 3.452 7.629 18.833
388 HE1 MET 52 HE1 MET 52 3.001 9.119 20.998
389 HE2 MET 52 HE2 MET 52 1.294 9.177 20.553
390 HE3 MET 52 HE3 MET 52 2.155 10.665 20.951
391 H ARG 53 H ARG 53 2.270 5.012 17.708
392 HA ARG 53 HA ARG 53 0.488 3.642 17.672
393 HB2 ARG 53 HB2 ARG 53 -0.827 5.728 17.372
394 HB3 ARG 53 HB3 ARG 53 -0.659 5.591 15.625
395 HG2 ARG 53 HG2 ARG 53 -1.942 3.437 15.711
396 HG3 ARG 53 HG3 ARG 53 -2.179 3.680 17.444
397 HD2 ARG 53 HD2 ARG 53 -3.347 5.840 16.926
398 HD3 ARG 53 HD3 ARG 53 -3.180 5.473 15.206
399 HE ARG 53 HE ARG 53 -4.528 3.425 16.757
400 HH11 ARG 53 HH11 ARG 53 -4.978 6.333 14.818
401 HH12 ARG 53 HH12 ARG 53 -6.645 6.002 14.476
402 HH21 ARG 53 HH21 ARG 53 -6.704 2.992 16.310
403 HH22 ARG 53 HH22 ARG 53 -7.633 4.087 15.333
404 H LYS 54 H LYS 54 1.698 1.948 16.879
405 HA LYS 54 HA LYS 54 1.692 1.421 13.962
406 HB2 LYS 54 HB2 LYS 54 3.624 0.426 16.094
407 HB3 LYS 54 HB3 LYS 54 3.695 0.017 14.386
408 HG2 LYS 54 HG2 LYS 54 4.105 2.422 13.861
409 HG3 LYS 54 HG3 LYS 54 4.114 2.767 15.594
410 HD2 LYS 54 HD2 LYS 54 6.411 2.543 14.755
411 HD3 LYS 54 HD3 LYS 54 6.044 1.249 15.897
412 HE2 LYS 54 HE2 LYS 54 5.591 -0.267 13.946
413 HE3 LYS 54 HE3 LYS 54 6.108 1.030 12.867
414 HZ1 LYS 54 HZ1 LYS 54 8.279 0.986 13.943
415 HZ2 LYS 54 HZ2 LYS 54 7.887 -0.518 13.279
416 HZ3 LYS 54 HZ3 LYS 54 7.770 -0.275 14.949
417 H GLU 55 H GLU 55 2.683 -1.351 15.676
418 HA GLU 55 HA GLU 55 0.281 -2.682 14.724
419 HB2 GLU 55 HB2 GLU 55 1.567 -4.787 14.905
420 HB3 GLU 55 HB3 GLU 55 2.319 -3.609 13.854
421 HG2 GLU 55 HG2 GLU 55 3.240 -4.177 16.685
422 HG3 GLU 55 HG3 GLU 55 3.907 -4.960 15.260
423 H GLY 56 H GLY 56 -1.154 -2.086 16.340
424 HA2 GLY 56 HA2 GLY 56 -0.958 -2.975 19.072
425 HA3 GLY 56 HA3 GLY 56 -2.420 -2.483 18.224
426 H ILE 57 H ILE 57 -1.863 -4.399 16.054
427 HA ILE 57 HA ILE 57 -2.092 -6.483 15.320
428 HB ILE 57 HB ILE 57 -1.372 -7.325 18.157
429 HG12 ILE 57 HG12 ILE 57 0.464 -6.140 16.973
430 HG13 ILE 57 HG13 ILE 57 0.871 -7.831 17.234
431 HG21 ILE 57 HG21 ILE 57 -2.632 -9.149 17.121
432 HG22 ILE 57 HG22 ILE 57 -0.933 -9.591 17.265
433 HG23 ILE 57 HG23 ILE 57 -1.585 -9.105 15.700
434 HD11 ILE 57 HD11 ILE 57 1.595 -7.083 15.043
435 HD12 ILE 57 HD12 ILE 57 -0.049 -6.613 14.624
436 HD13 ILE 57 HD13 ILE 57 0.342 -8.315 14.877
437 H GLN 58 H GLN 58 -3.938 -7.415 14.728
438 HA GLN 58 HA GLN 58 -6.231 -7.547 16.616
439 HB2 GLN 58 HB2 GLN 58 -7.718 -6.940 14.724
440 HB3 GLN 58 HB3 GLN 58 -6.553 -5.672 15.079
441 HG2 GLN 58 HG2 GLN 58 -5.239 -6.202 13.135
442 HG3 GLN 58 HG3 GLN 58 -6.152 -7.684 12.848
443 HE21 GLN 58 HE21 GLN 58 -6.643 -7.022 10.724
444 HE22 GLN 58 HE22 GLN 58 -7.814 -5.794 10.396
445 H THR 59 H THR 59 -4.265 -9.627 15.836
446 HA THR 59 HA THR 59 -5.326 -11.467 13.980
447 HB THR 59 HB THR 59 -3.844 -13.156 15.205
448 HG1 THR 59 HG1 THR 59 -2.405 -12.148 16.783
449 HG21 THR 59 HG21 THR 59 -2.519 -10.531 14.421
450 HG22 THR 59 HG22 THR 59 -2.916 -11.859 13.326
451 HG23 THR 59 HG23 THR 59 -1.702 -12.088 14.584
452 H ARG 60 H ARG 60 -7.174 -12.626 14.121
453 HA ARG 60 HA ARG 60 -8.692 -12.858 16.548
454 HB2 ARG 60 HB2 ARG 60 -9.131 -13.837 13.721
455 HB3 ARG 60 HB3 ARG 60 -10.140 -14.452 15.027
456 HG2 ARG 60 HG2 ARG 60 -10.716 -12.056 15.595
457 HG3 ARG 60 HG3 ARG 60 -9.883 -11.572 14.116
458 HD2 ARG 60 HD2 ARG 60 -11.451 -12.763 12.747
459 HD3 ARG 60 HD3 ARG 60 -12.162 -13.576 14.147
460 HE ARG 60 HE ARG 60 -12.484 -10.737 13.417
461 HH11 ARG 60 HH11 ARG 60 -13.510 -13.462 15.402
462 HH12 ARG 60 HH12 ARG 60 -14.937 -12.652 15.972
463 HH21 ARG 60 HH21 ARG 60 -14.325 -9.693 14.199
464 HH22 ARG 60 HH22 ARG 60 -15.401 -10.512 15.284
465 H LYS 61 H LYS 61 -7.697 -14.043 18.063
466 HA LYS 61 HA LYS 61 -7.334 -16.943 17.555
467 HB2 LYS 61 HB2 LYS 61 -6.339 -15.230 19.886
468 HB3 LYS 61 HB3 LYS 61 -6.108 -16.968 19.732
469 HG2 LYS 61 HG2 LYS 61 -4.810 -16.504 17.588
470 HG3 LYS 61 HG3 LYS 61 -4.912 -14.791 17.998
471 HD2 LYS 61 HD2 LYS 61 -2.775 -15.485 18.777
472 HD3 LYS 61 HD3 LYS 61 -3.773 -15.387 20.226
473 HE2 LYS 61 HE2 LYS 61 -3.114 -17.952 18.723
474 HE3 LYS 61 HE3 LYS 61 -2.306 -17.402 20.185
475 HZ1 LYS 61 HZ1 LYS 61 -4.508 -17.538 21.311
476 HZ2 LYS 61 HZ2 LYS 61 -3.903 -19.026 20.789
477 HZ3 LYS 61 HZ3 LYS 61 -5.133 -18.266 19.917
478 H ARG 62 H ARG 62 -8.728 -18.316 18.504
479 HA ARG 62 HA ARG 62 -10.598 -19.138 19.407
480 HB2 ARG 62 HB2 ARG 62 -9.632 -18.633 21.585
481 HB3 ARG 62 HB3 ARG 62 -10.176 -16.961 21.501
482 HG2 ARG 62 HG2 ARG 62 -12.524 -17.694 21.681
483 HG3 ARG 62 HG3 ARG 62 -12.010 -19.384 21.665
484 HD2 ARG 62 HD2 ARG 62 -11.307 -17.335 23.798
485 HD3 ARG 62 HD3 ARG 62 -12.504 -18.627 23.948
486 HE ARG 62 HE ARG 62 -10.395 -20.073 23.376
487 HH11 ARG 62 HH11 ARG 62 -10.561 -17.390 25.629
488 HH12 ARG 62 HH12 ARG 62 -9.286 -18.005 26.635
489 HH21 ARG 62 HH21 ARG 62 -8.723 -20.854 24.629
490 HH22 ARG 62 HH22 ARG 62 -8.239 -19.998 26.055
491 H LYS 63 H LYS 63 -11.416 -18.337 17.369
492 HA LYS 63 HA LYS 63 -13.197 -17.806 16.138
493 HB2 LYS 63 HB2 LYS 63 -14.309 -18.864 18.201
494 HB3 LYS 63 HB3 LYS 63 -14.677 -17.232 18.735
495 HG2 LYS 63 HG2 LYS 63 -16.631 -18.231 17.686
496 HG3 LYS 63 HG3 LYS 63 -16.058 -16.889 16.686
497 HD2 LYS 63 HD2 LYS 63 -15.005 -18.453 15.124
498 HD3 LYS 63 HD3 LYS 63 -15.402 -19.820 16.171
499 HE2 LYS 63 HE2 LYS 63 -16.933 -19.676 14.253
500 HE3 LYS 63 HE3 LYS 63 -17.800 -19.448 15.773
501 HZ1 LYS 63 HZ1 LYS 63 -17.790 -17.077 15.383
502 HZ2 LYS 63 HZ2 LYS 63 -18.484 -17.877 14.068
503 HZ3 LYS 63 HZ3 LYS 63 -16.905 -17.283 13.955
Start of MODEL 17
1 H1 SER 1 H1 SER 1 -35.531 -0.207 -16.371
2 H2 SER 1 H2 SER 1 -34.968 -0.007 -17.949
3 H3 SER 1 H3 SER 1 -36.350 0.816 -17.433
4 HA SER 1 HA SER 1 -34.381 2.239 -17.555
5 HB2 SER 1 HB2 SER 1 -35.452 1.812 -14.726
6 HB3 SER 1 HB3 SER 1 -34.744 3.303 -15.356
7 HG SER 1 HG SER 1 -37.138 3.098 -15.313
8 H HIS 2 H HIS 2 -32.314 2.794 -16.677
9 HA HIS 2 HA HIS 2 -30.977 0.766 -14.955
10 HB2 HIS 2 HB2 HIS 2 -29.932 1.168 -17.261
11 HB3 HIS 2 HB3 HIS 2 -29.596 2.821 -16.766
12 HD2 HIS 2 HD2 HIS 2 -28.663 -0.787 -15.390
13 HE1 HIS 2 HE1 HIS 2 -25.427 1.869 -14.810
14 HE2 HIS 2 HE2 HIS 2 -26.319 -0.450 -14.345
15 H MET 3 H MET 3 -29.460 1.757 -13.375
16 HA MET 3 HA MET 3 -30.235 4.463 -12.448
17 HB2 MET 3 HB2 MET 3 -30.298 3.646 -10.115
18 HB3 MET 3 HB3 MET 3 -31.462 2.776 -11.101
19 HG2 MET 3 HG2 MET 3 -29.727 0.923 -11.294
20 HG3 MET 3 HG3 MET 3 -28.826 1.767 -10.034
21 HE1 MET 3 HE1 MET 3 -31.284 2.891 -8.198
22 HE2 MET 3 HE2 MET 3 -29.851 2.137 -7.494
23 HE3 MET 3 HE3 MET 3 -31.458 1.576 -7.034
24 H SER 4 H SER 4 -28.580 5.566 -11.259
25 HA SER 4 HA SER 4 -25.995 5.226 -12.338
26 HB2 SER 4 HB2 SER 4 -25.379 7.078 -10.674
27 HB3 SER 4 HB3 SER 4 -26.697 7.453 -11.784
28 HG SER 4 HG SER 4 -27.142 6.421 -9.181
29 H ALA 5 H ALA 5 -25.043 3.318 -11.859
30 HA ALA 5 HA ALA 5 -25.090 2.024 -9.293
31 HB1 ALA 5 HB1 ALA 5 -25.121 0.739 -11.392
32 HB2 ALA 5 HB2 ALA 5 -23.716 0.298 -10.424
33 HB3 ALA 5 HB3 ALA 5 -23.525 1.358 -11.824
34 H SER 6 H SER 6 -23.471 4.729 -9.949
35 HA SER 6 HA SER 6 -20.904 4.390 -8.872
36 HB2 SER 6 HB2 SER 6 -21.279 6.843 -8.133
37 HB3 SER 6 HB3 SER 6 -21.452 6.507 -9.855
38 HG SER 6 HG SER 6 -23.459 7.009 -7.925
39 H ARG 7 H ARG 7 -21.024 2.860 -7.318
40 HA ARG 7 HA ARG 7 -22.843 2.715 -5.148
41 HB2 ARG 7 HB2 ARG 7 -21.742 0.741 -6.126
42 HB3 ARG 7 HB3 ARG 7 -20.165 1.373 -5.677
43 HG2 ARG 7 HG2 ARG 7 -20.621 1.000 -3.313
44 HG3 ARG 7 HG3 ARG 7 -22.288 0.532 -3.671
45 HD2 ARG 7 HD2 ARG 7 -21.502 -1.425 -4.925
46 HD3 ARG 7 HD3 ARG 7 -19.825 -0.940 -4.673
47 HE ARG 7 HE ARG 7 -20.542 -1.213 -2.165
48 HH11 ARG 7 HH11 ARG 7 -21.392 -3.310 -4.862
49 HH12 ARG 7 HH12 ARG 7 -21.486 -4.741 -3.883
50 HH21 ARG 7 HH21 ARG 7 -20.597 -3.091 -0.900
51 HH22 ARG 7 HH22 ARG 7 -21.031 -4.609 -1.629
52 H ARG 8 H ARG 8 -19.473 3.728 -5.486
53 HA ARG 8 HA ARG 8 -17.983 4.816 -4.211
54 HB2 ARG 8 HB2 ARG 8 -19.715 6.634 -4.375
55 HB3 ARG 8 HB3 ARG 8 -20.397 6.079 -2.849
56 HG2 ARG 8 HG2 ARG 8 -18.259 6.646 -1.710
57 HG3 ARG 8 HG3 ARG 8 -17.609 7.230 -3.246
58 HD2 ARG 8 HD2 ARG 8 -19.988 8.364 -1.740
59 HD3 ARG 8 HD3 ARG 8 -18.402 9.118 -1.915
60 HE ARG 8 HE ARG 8 -20.353 8.707 -4.111
61 HH11 ARG 8 HH11 ARG 8 -17.673 10.544 -2.749
62 HH12 ARG 8 HH12 ARG 8 -17.689 11.730 -4.013
63 HH21 ARG 8 HH21 ARG 8 -20.332 10.259 -5.781
64 HH22 ARG 8 HH22 ARG 8 -19.192 11.565 -5.725
65 H VAL 9 H VAL 9 -17.384 2.803 -3.371
66 HA VAL 9 HA VAL 9 -18.489 1.549 -1.079
67 HB VAL 9 HB VAL 9 -15.656 1.168 -2.173
68 HG11 VAL 9 HG11 VAL 9 -17.440 -0.759 -0.630
69 HG12 VAL 9 HG12 VAL 9 -16.014 0.065 0.002
70 HG13 VAL 9 HG13 VAL 9 -15.839 -1.132 -1.281
71 HG21 VAL 9 HG21 VAL 9 -18.211 -0.210 -3.098
72 HG22 VAL 9 HG22 VAL 9 -16.575 -0.617 -3.623
73 HG23 VAL 9 HG23 VAL 9 -17.263 0.956 -4.024
74 H GLY 10 H GLY 10 -16.186 4.116 -1.494
75 HA2 GLY 10 HA2 GLY 10 -15.492 5.684 0.035
76 HA3 GLY 10 HA3 GLY 10 -16.236 4.748 1.325
77 H LEU 11 H LEU 11 -15.137 2.887 2.102
78 HA LEU 11 HA LEU 11 -13.474 1.668 2.925
79 HB2 LEU 11 HB2 LEU 11 -11.982 2.515 0.413
80 HB3 LEU 11 HB3 LEU 11 -11.346 1.348 1.562
81 HG LEU 11 HG LEU 11 -13.920 0.975 -0.029
82 HD11 LEU 11 HD11 LEU 11 -11.192 -0.276 -0.484
83 HD12 LEU 11 HD12 LEU 11 -11.978 0.925 -1.513
84 HD13 LEU 11 HD13 LEU 11 -12.679 -0.684 -1.348
85 HD21 LEU 11 HD21 LEU 11 -13.984 -0.203 2.116
86 HD22 LEU 11 HD22 LEU 11 -12.423 -0.959 1.775
87 HD23 LEU 11 HD23 LEU 11 -13.832 -1.350 0.785
88 H SER 12 H SER 12 -11.439 1.744 4.035
89 HA SER 12 HA SER 12 -10.329 4.458 4.441
90 HB2 SER 12 HB2 SER 12 -10.413 2.304 6.596
91 HB3 SER 12 HB3 SER 12 -10.012 4.002 6.778
92 HG SER 12 HG SER 12 -12.577 3.227 5.878
93 H CYS 13 H CYS 13 -8.141 4.571 4.229
94 HA CYS 13 HA CYS 13 -6.514 2.508 3.199
95 HB2 CYS 13 HB2 CYS 13 -6.093 5.010 3.054
96 HB3 CYS 13 HB3 CYS 13 -5.620 4.975 4.723
97 H ALA 14 H ALA 14 -6.257 0.685 4.356
98 HA ALA 14 HA ALA 14 -6.416 0.288 7.098
99 HB1 ALA 14 HB1 ALA 14 -4.867 -1.361 5.090
100 HB2 ALA 14 HB2 ALA 14 -6.592 -1.504 5.428
101 HB3 ALA 14 HB3 ALA 14 -5.409 -1.914 6.678
102 H ASN 15 H ASN 15 -3.718 1.390 5.189
103 HA ASN 15 HA ASN 15 -1.882 1.383 7.459
104 HB2 ASN 15 HB2 ASN 15 -0.978 0.815 5.246
105 HB3 ASN 15 HB3 ASN 15 -1.532 2.347 4.583
106 HD21 ASN 15 HD21 ASN 15 -0.337 4.207 5.038
107 HD22 ASN 15 HD22 ASN 15 1.210 4.184 5.778
108 H CYS 16 H CYS 16 -2.539 4.103 5.151
109 HA CYS 16 HA CYS 16 -2.410 5.933 7.481
110 HB2 CYS 16 HB2 CYS 16 -1.483 7.624 5.943
111 HB3 CYS 16 HB3 CYS 16 -0.513 6.163 5.895
112 H GLN 17 H GLN 17 -4.679 5.149 7.452
113 HA GLN 17 HA GLN 17 -6.949 5.574 6.419
114 HB2 GLN 17 HB2 GLN 17 -6.268 7.007 9.009
115 HB3 GLN 17 HB3 GLN 17 -7.883 6.490 8.533
116 HG2 GLN 17 HG2 GLN 17 -7.294 4.174 8.749
117 HG3 GLN 17 HG3 GLN 17 -5.578 4.553 8.912
118 HE21 GLN 17 HE21 GLN 17 -4.819 5.413 10.892
119 HE22 GLN 17 HE22 GLN 17 -5.746 5.304 12.351
120 H THR 18 H THR 18 -6.379 7.057 4.532
121 HA THR 18 HA THR 18 -7.003 9.888 4.975
122 HB THR 18 HB THR 18 -5.161 9.463 3.415
123 HG1 THR 18 HG1 THR 18 -5.839 10.859 1.878
124 HG21 THR 18 HG21 THR 18 -5.498 8.326 1.254
125 HG22 THR 18 HG22 THR 18 -7.155 7.919 1.714
126 HG23 THR 18 HG23 THR 18 -5.793 7.227 2.602
127 H THR 19 H THR 19 -8.394 6.950 3.908
128 HA THR 19 HA THR 19 -10.396 6.204 3.299
129 HB THR 19 HB THR 19 -12.429 7.288 4.193
130 HG1 THR 19 HG1 THR 19 -11.304 9.548 3.914
131 HG21 THR 19 HG21 THR 19 -10.131 7.324 6.186
132 HG22 THR 19 HG22 THR 19 -11.081 5.909 5.726
133 HG23 THR 19 HG23 THR 19 -11.845 7.240 6.594
134 H THR 20 H THR 20 -8.999 8.389 1.509
135 HA THR 20 HA THR 20 -11.052 8.458 -0.570
136 HB THR 20 HB THR 20 -10.358 10.958 -1.015
137 HG1 THR 20 HG1 THR 20 -9.669 10.723 1.748
138 HG21 THR 20 HG21 THR 20 -12.657 10.345 -0.310
139 HG22 THR 20 HG22 THR 20 -12.132 11.859 0.431
140 HG23 THR 20 HG23 THR 20 -12.139 10.371 1.377
141 H THR 21 H THR 21 -10.088 7.642 -2.314
142 HA THR 21 HA THR 21 -7.938 8.997 -3.583
143 HB THR 21 HB THR 21 -6.524 7.471 -2.182
144 HG1 THR 21 HG1 THR 21 -5.711 8.027 -4.204
145 HG21 THR 21 HG21 THR 21 -7.916 5.220 -3.675
146 HG22 THR 21 HG22 THR 21 -8.041 5.546 -1.947
147 HG23 THR 21 HG23 THR 21 -6.498 5.039 -2.634
148 H THR 22 H THR 22 -7.677 8.200 -5.818
149 HA THR 22 HA THR 22 -10.184 7.427 -6.988
150 HB THR 22 HB THR 22 -7.472 7.730 -8.361
151 HG1 THR 22 HG1 THR 22 -9.449 9.622 -7.619
152 HG21 THR 22 HG21 THR 22 -9.183 6.605 -9.773
153 HG22 THR 22 HG22 THR 22 -8.787 8.208 -10.386
154 HG23 THR 22 HG23 THR 22 -10.291 7.959 -9.498
155 H LEU 23 H LEU 23 -7.018 5.859 -6.514
156 HA LEU 23 HA LEU 23 -8.155 3.291 -7.479
157 HB2 LEU 23 HB2 LEU 23 -6.384 4.241 -8.973
158 HB3 LEU 23 HB3 LEU 23 -5.244 4.184 -7.634
159 HG LEU 23 HG LEU 23 -5.434 1.688 -7.578
160 HD11 LEU 23 HD11 LEU 23 -7.247 1.990 -9.989
161 HD12 LEU 23 HD12 LEU 23 -7.710 1.397 -8.391
162 HD13 LEU 23 HD13 LEU 23 -6.585 0.470 -9.381
163 HD21 LEU 23 HD21 LEU 23 -4.720 2.769 -10.319
164 HD22 LEU 23 HD22 LEU 23 -4.224 1.206 -9.662
165 HD23 LEU 23 HD23 LEU 23 -3.653 2.698 -8.915
166 H TRP 24 H TRP 24 -8.621 2.104 -5.766
167 HA TRP 24 HA TRP 24 -6.875 1.951 -3.419
168 HB2 TRP 24 HB2 TRP 24 -9.572 0.657 -4.036
169 HB3 TRP 24 HB3 TRP 24 -8.662 0.371 -2.553
170 HD1 TRP 24 HD1 TRP 24 -10.833 3.047 -4.257
171 HE1 TRP 24 HE1 TRP 24 -11.398 4.873 -2.532
172 HE3 TRP 24 HE3 TRP 24 -7.803 1.523 -0.423
173 HZ2 TRP 24 HZ2 TRP 24 -10.663 5.575 0.113
174 HZ3 TRP 24 HZ3 TRP 24 -7.798 2.829 1.664
175 HH2 TRP 24 HH2 TRP 24 -9.198 4.813 1.922
176 H ARG 25 H ARG 25 -5.498 0.336 -3.098
177 HA ARG 25 HA ARG 25 -5.528 -2.081 -4.828
178 HB2 ARG 25 HB2 ARG 25 -2.995 -2.166 -4.342
179 HB3 ARG 25 HB3 ARG 25 -3.535 -0.958 -5.491
180 HG2 ARG 25 HG2 ARG 25 -3.193 -0.159 -2.612
181 HG3 ARG 25 HG3 ARG 25 -1.762 -0.362 -3.620
182 HD2 ARG 25 HD2 ARG 25 -4.092 1.457 -4.326
183 HD3 ARG 25 HD3 ARG 25 -2.617 1.995 -3.513
184 HE ARG 25 HE ARG 25 -1.781 0.674 -5.784
185 HH11 ARG 25 HH11 ARG 25 -3.823 3.479 -5.215
186 HH12 ARG 25 HH12 ARG 25 -3.377 4.239 -6.711
187 HH21 ARG 25 HH21 ARG 25 -1.168 1.694 -7.685
188 HH22 ARG 25 HH22 ARG 25 -1.862 3.224 -8.122
189 H ARG 26 H ARG 26 -4.163 -3.876 -3.654
190 HA ARG 26 HA ARG 26 -4.940 -3.986 -0.792
191 HB2 ARG 26 HB2 ARG 26 -4.423 -6.280 -2.752
192 HB3 ARG 26 HB3 ARG 26 -4.873 -6.470 -1.059
193 HG2 ARG 26 HG2 ARG 26 -6.595 -5.223 -3.232
194 HG3 ARG 26 HG3 ARG 26 -6.809 -6.826 -2.528
195 HD2 ARG 26 HD2 ARG 26 -7.332 -5.847 -0.359
196 HD3 ARG 26 HD3 ARG 26 -7.001 -4.226 -0.972
197 HE ARG 26 HE ARG 26 -8.933 -4.823 -2.604
198 HH11 ARG 26 HH11 ARG 26 -8.778 -5.732 0.797
199 HH12 ARG 26 HH12 ARG 26 -10.500 -5.732 1.000
200 HH21 ARG 26 HH21 ARG 26 -11.173 -4.764 -2.306
201 HH22 ARG 26 HH22 ARG 26 -11.863 -5.180 -0.770
202 H ASN 27 H ASN 27 -3.366 -4.260 0.708
203 HA ASN 27 HA ASN 27 -0.573 -4.292 -0.062
204 HB2 ASN 27 HB2 ASN 27 -0.134 -4.353 2.410
205 HB3 ASN 27 HB3 ASN 27 -1.193 -3.030 1.936
206 HD21 ASN 27 HD21 ASN 27 -1.966 -2.836 4.043
207 HD22 ASN 27 HD22 ASN 27 -3.054 -3.980 4.738
208 H ALA 28 H ALA 28 0.756 -6.013 1.471
209 HA ALA 28 HA ALA 28 0.620 -8.471 0.152
210 HB1 ALA 28 HB1 ALA 28 2.327 -9.250 1.745
211 HB2 ALA 28 HB2 ALA 28 1.960 -7.889 2.811
212 HB3 ALA 28 HB3 ALA 28 2.665 -7.595 1.224
213 H GLU 29 H GLU 29 -1.041 -7.426 3.020
214 HA GLU 29 HA GLU 29 -1.771 -10.044 4.024
215 HB2 GLU 29 HB2 GLU 29 -2.818 -7.273 4.766
216 HB3 GLU 29 HB3 GLU 29 -3.045 -8.751 5.704
217 HG2 GLU 29 HG2 GLU 29 -0.718 -8.868 6.273
218 HG3 GLU 29 HG3 GLU 29 -0.293 -7.629 5.091
219 H GLY 30 H GLY 30 -3.295 -7.454 2.127
220 HA2 GLY 30 HA2 GLY 30 -4.933 -8.121 0.409
221 HA3 GLY 30 HA3 GLY 30 -5.675 -9.185 1.595
222 H GLU 31 H GLU 31 -4.620 -6.199 2.839
223 HA GLU 31 HA GLU 31 -7.346 -5.290 3.315
224 HB2 GLU 31 HB2 GLU 31 -4.643 -4.274 4.303
225 HB3 GLU 31 HB3 GLU 31 -6.194 -3.609 4.798
226 HG2 GLU 31 HG2 GLU 31 -5.252 -6.442 5.300
227 HG3 GLU 31 HG3 GLU 31 -5.259 -5.134 6.486
228 HA PRO 32 HA PRO 32 -7.230 -2.198 0.029
229 HB2 PRO 32 HB2 PRO 32 -9.252 -0.521 0.842
230 HB3 PRO 32 HB3 PRO 32 -9.561 -2.145 0.194
231 HG2 PRO 32 HG2 PRO 32 -9.487 -1.248 3.056
232 HG3 PRO 32 HG3 PRO 32 -10.648 -2.327 2.247
233 HD2 PRO 32 HD2 PRO 32 -8.591 -3.276 3.780
234 HD3 PRO 32 HD3 PRO 32 -9.240 -4.177 2.390
235 H VAL 33 H VAL 33 -5.536 -0.878 -0.094
236 HA VAL 33 HA VAL 33 -5.085 1.256 1.912
237 HB VAL 33 HB VAL 33 -2.629 1.128 1.285
238 HG11 VAL 33 HG11 VAL 33 -3.792 -1.402 2.514
239 HG12 VAL 33 HG12 VAL 33 -3.455 0.106 3.366
240 HG13 VAL 33 HG13 VAL 33 -2.127 -0.839 2.691
241 HG21 VAL 33 HG21 VAL 33 -3.418 -1.479 -0.089
242 HG22 VAL 33 HG22 VAL 33 -1.762 -0.918 0.174
243 HG23 VAL 33 HG23 VAL 33 -2.841 -0.020 -0.896
244 H CYS 34 H CYS 34 -4.258 3.228 1.112
245 HA CYS 34 HA CYS 34 -5.526 4.086 -1.318
246 HB2 CYS 34 HB2 CYS 34 -4.778 6.351 -0.620
247 HB3 CYS 34 HB3 CYS 34 -5.552 5.488 0.709
248 H ASN 35 H ASN 35 -4.258 5.771 -2.687
249 HA ASN 35 HA ASN 35 -2.257 4.493 -4.186
250 HB2 ASN 35 HB2 ASN 35 -2.104 6.587 -5.460
251 HB3 ASN 35 HB3 ASN 35 -3.784 6.222 -5.113
252 HD21 ASN 35 HD21 ASN 35 -2.426 8.782 -5.742
253 HD22 ASN 35 HD22 ASN 35 -2.864 9.859 -4.463
254 H ALA 36 H ALA 36 -2.032 6.907 -1.597
255 HA ALA 36 HA ALA 36 0.719 7.555 -1.841
256 HB1 ALA 36 HB1 ALA 36 -0.900 8.962 -0.629
257 HB2 ALA 36 HB2 ALA 36 0.477 8.555 0.398
258 HB3 ALA 36 HB3 ALA 36 -1.065 7.720 0.614
259 H CYS 37 H CYS 37 -0.901 4.863 -0.308
260 HA CYS 37 HA CYS 37 1.429 3.950 1.206
261 HB2 CYS 37 HB2 CYS 37 -1.280 2.604 0.791
262 HB3 CYS 37 HB3 CYS 37 -0.048 2.109 1.948
263 H GLY 38 H GLY 38 -0.410 3.086 -1.673
264 HA2 GLY 38 HA2 GLY 38 0.778 0.516 -2.100
265 HA3 GLY 38 HA3 GLY 38 -0.302 1.373 -3.181
266 H LEU 39 H LEU 39 1.179 3.698 -3.636
267 HA LEU 39 HA LEU 39 3.045 2.864 -5.628
268 HB2 LEU 39 HB2 LEU 39 2.574 5.645 -4.479
269 HB3 LEU 39 HB3 LEU 39 3.475 5.289 -5.947
270 HG LEU 39 HG LEU 39 0.487 4.855 -5.539
271 HD11 LEU 39 HD11 LEU 39 0.202 6.633 -7.208
272 HD12 LEU 39 HD12 LEU 39 1.951 6.872 -7.264
273 HD13 LEU 39 HD13 LEU 39 1.058 7.212 -5.781
274 HD21 LEU 39 HD21 LEU 39 0.394 4.240 -7.915
275 HD22 LEU 39 HD22 LEU 39 1.388 3.112 -7.000
276 HD23 LEU 39 HD23 LEU 39 2.156 4.332 -8.021
277 H TYR 40 H TYR 40 3.315 4.026 -2.323
278 HA TYR 40 HA TYR 40 6.121 4.311 -2.113
279 HB2 TYR 40 HB2 TYR 40 4.342 5.116 -0.448
280 HB3 TYR 40 HB3 TYR 40 4.200 3.457 0.104
281 HD1 TYR 40 HD1 TYR 40 6.239 2.361 1.225
282 HD2 TYR 40 HD2 TYR 40 6.079 6.550 0.392
283 HE1 TYR 40 HE1 TYR 40 8.056 2.749 2.832
284 HE2 TYR 40 HE2 TYR 40 7.907 6.934 1.991
285 HH TYR 40 HH TYR 40 8.899 5.824 3.974
286 H MET 41 H MET 41 3.926 1.547 -1.724
287 HA MET 41 HA MET 41 5.879 -0.394 -0.953
288 HB2 MET 41 HB2 MET 41 3.507 -0.679 -0.401
289 HB3 MET 41 HB3 MET 41 3.073 -0.720 -2.104
290 HG2 MET 41 HG2 MET 41 4.142 -2.864 -2.394
291 HG3 MET 41 HG3 MET 41 4.848 -2.790 -0.783
292 HE1 MET 41 HE1 MET 41 3.567 -3.194 1.431
293 HE2 MET 41 HE2 MET 41 1.823 -3.416 1.555
294 HE3 MET 41 HE3 MET 41 2.478 -1.838 1.117
295 H LYS 42 H LYS 42 4.668 0.713 -4.095
296 HA LYS 42 HA LYS 42 5.893 -1.320 -5.691
297 HB2 LYS 42 HB2 LYS 42 4.947 1.499 -6.334
298 HB3 LYS 42 HB3 LYS 42 5.706 0.481 -7.555
299 HG2 LYS 42 HG2 LYS 42 3.908 -1.210 -7.237
300 HG3 LYS 42 HG3 LYS 42 3.128 -0.139 -6.066
301 HD2 LYS 42 HD2 LYS 42 2.730 1.545 -7.780
302 HD3 LYS 42 HD3 LYS 42 3.687 0.644 -8.959
303 HE2 LYS 42 HE2 LYS 42 1.081 -0.322 -7.734
304 HE3 LYS 42 HE3 LYS 42 1.237 0.413 -9.326
305 HZ1 LYS 42 HZ1 LYS 42 2.627 -1.422 -10.012
306 HZ2 LYS 42 HZ2 LYS 42 1.155 -2.004 -9.425
307 HZ3 LYS 42 HZ3 LYS 42 2.543 -2.113 -8.473
308 H LEU 43 H LEU 43 7.122 1.548 -4.136
309 HA LEU 43 HA LEU 43 9.607 1.604 -5.680
310 HB2 LEU 43 HB2 LEU 43 8.528 3.342 -3.435
311 HB3 LEU 43 HB3 LEU 43 10.087 3.601 -4.190
312 HG LEU 43 HG LEU 43 7.405 3.778 -5.613
313 HD11 LEU 43 HD11 LEU 43 7.694 5.628 -4.052
314 HD12 LEU 43 HD12 LEU 43 7.815 6.201 -5.714
315 HD13 LEU 43 HD13 LEU 43 9.277 6.001 -4.742
316 HD21 LEU 43 HD21 LEU 43 9.160 3.027 -7.138
317 HD22 LEU 43 HD22 LEU 43 10.194 4.375 -6.654
318 HD23 LEU 43 HD23 LEU 43 8.684 4.681 -7.518
319 H HIS 44 H HIS 44 8.513 0.724 -2.398
320 HA HIS 44 HA HIS 44 11.334 0.211 -1.578
321 HB2 HIS 44 HB2 HIS 44 9.094 1.249 0.227
322 HB3 HIS 44 HB3 HIS 44 10.790 1.045 0.662
323 HD1 HIS 44 HD1 HIS 44 12.459 2.567 -1.011
324 HD2 HIS 44 HD2 HIS 44 8.529 3.825 -0.524
325 HE1 HIS 44 HE1 HIS 44 12.391 4.931 -1.848
326 HE2 HIS 44 HE2 HIS 44 10.055 5.723 -1.354
327 H GLY 45 H GLY 45 8.319 -1.226 -2.056
328 HA2 GLY 45 HA2 GLY 45 7.729 -3.450 -1.821
329 HA3 GLY 45 HA3 GLY 45 9.153 -3.724 -0.837
330 H VAL 46 H VAL 46 7.842 -1.154 0.626
331 HA VAL 46 HA VAL 46 6.154 -2.722 2.493
332 HB VAL 46 HB VAL 46 7.164 -1.461 4.378
333 HG11 VAL 46 HG11 VAL 46 9.237 -2.957 2.737
334 HG12 VAL 46 HG12 VAL 46 8.084 -3.665 3.870
335 HG13 VAL 46 HG13 VAL 46 9.361 -2.602 4.464
336 HG21 VAL 46 HG21 VAL 46 9.109 -0.320 2.326
337 HG22 VAL 46 HG22 VAL 46 9.243 -0.122 4.076
338 HG23 VAL 46 HG23 VAL 46 7.878 0.584 3.213
339 HA PRO 47 HA PRO 47 3.356 0.810 2.192
340 HB2 PRO 47 HB2 PRO 47 2.449 0.625 4.979
341 HB3 PRO 47 HB3 PRO 47 1.599 0.119 3.509
342 HG2 PRO 47 HG2 PRO 47 2.551 -1.631 5.404
343 HG3 PRO 47 HG3 PRO 47 2.271 -2.058 3.702
344 HD2 PRO 47 HD2 PRO 47 4.861 -1.401 5.084
345 HD3 PRO 47 HD3 PRO 47 4.531 -2.604 3.816
346 H ARG 48 H ARG 48 2.784 2.913 3.361
347 HA ARG 48 HA ARG 48 5.235 4.326 3.896
348 HB2 ARG 48 HB2 ARG 48 3.214 5.157 2.515
349 HB3 ARG 48 HB3 ARG 48 2.416 5.478 4.053
350 HG2 ARG 48 HG2 ARG 48 4.232 7.051 4.651
351 HG3 ARG 48 HG3 ARG 48 5.034 6.699 3.123
352 HD2 ARG 48 HD2 ARG 48 2.958 7.544 1.941
353 HD3 ARG 48 HD3 ARG 48 2.365 8.072 3.520
354 HE ARG 48 HE ARG 48 4.114 9.668 3.638
355 HH11 ARG 48 HH11 ARG 48 4.081 8.017 0.512
356 HH12 ARG 48 HH12 ARG 48 5.028 9.244 -0.271
357 HH21 ARG 48 HH21 ARG 48 5.341 11.264 2.571
358 HH22 ARG 48 HH22 ARG 48 5.737 11.074 0.889
359 HA PRO 49 HA PRO 49 4.815 2.974 8.160
360 HB2 PRO 49 HB2 PRO 49 7.096 4.069 9.249
361 HB3 PRO 49 HB3 PRO 49 7.118 2.671 8.157
362 HG2 PRO 49 HG2 PRO 49 7.629 5.559 7.510
363 HG3 PRO 49 HG3 PRO 49 8.536 4.116 7.000
364 HD2 PRO 49 HD2 PRO 49 6.739 5.312 5.363
365 HD3 PRO 49 HD3 PRO 49 6.992 3.552 5.349
366 H LEU 50 H LEU 50 3.690 3.642 9.845
367 HA LEU 50 HA LEU 50 3.092 6.480 10.295
368 HB2 LEU 50 HB2 LEU 50 1.820 3.950 11.405
369 HB3 LEU 50 HB3 LEU 50 1.264 5.578 11.751
370 HG LEU 50 HG LEU 50 1.151 4.139 9.072
371 HD11 LEU 50 HD11 LEU 50 -1.285 4.384 9.343
372 HD12 LEU 50 HD12 LEU 50 -1.044 5.105 10.935
373 HD13 LEU 50 HD13 LEU 50 -0.569 3.430 10.638
374 HD21 LEU 50 HD21 LEU 50 0.392 7.017 9.683
375 HD22 LEU 50 HD22 LEU 50 0.019 6.155 8.188
376 HD23 LEU 50 HD23 LEU 50 1.696 6.466 8.625
377 H ALA 51 H ALA 51 2.306 6.192 13.056
378 HA ALA 51 HA ALA 51 4.586 7.056 14.387
379 HB1 ALA 51 HB1 ALA 51 3.234 6.950 16.438
380 HB2 ALA 51 HB2 ALA 51 2.047 5.931 15.618
381 HB3 ALA 51 HB3 ALA 51 2.288 7.598 15.095
382 H MET 52 H MET 52 2.897 3.934 14.950
383 HA MET 52 HA MET 52 5.332 2.824 16.180
384 HB2 MET 52 HB2 MET 52 3.111 2.567 17.355
385 HB3 MET 52 HB3 MET 52 2.542 1.586 16.013
386 HG2 MET 52 HG2 MET 52 4.270 -0.102 16.497
387 HG3 MET 52 HG3 MET 52 4.884 0.897 17.815
388 HE1 MET 52 HE1 MET 52 2.054 1.968 19.125
389 HE2 MET 52 HE2 MET 52 3.457 1.429 20.050
390 HE3 MET 52 HE3 MET 52 1.867 0.740 20.375
391 H ARG 53 H ARG 53 6.711 1.938 14.794
392 HA ARG 53 HA ARG 53 6.276 1.091 12.156
393 HB2 ARG 53 HB2 ARG 53 8.478 1.746 13.066
394 HB3 ARG 53 HB3 ARG 53 8.489 0.333 14.113
395 HG2 ARG 53 HG2 ARG 53 8.611 -1.138 12.125
396 HG3 ARG 53 HG3 ARG 53 8.578 0.282 11.074
397 HD2 ARG 53 HD2 ARG 53 10.715 1.063 12.055
398 HD3 ARG 53 HD3 ARG 53 10.744 -0.350 13.117
399 HE ARG 53 HE ARG 53 10.552 -1.249 10.473
400 HH11 ARG 53 HH11 ARG 53 12.911 0.393 12.514
401 HH12 ARG 53 HH12 ARG 53 14.278 -0.230 11.641
402 HH21 ARG 53 HH21 ARG 53 12.371 -2.056 9.344
403 HH22 ARG 53 HH22 ARG 53 13.965 -1.612 9.851
404 H LYS 54 H LYS 54 6.200 -0.647 15.209
405 HA LYS 54 HA LYS 54 5.472 -2.656 15.899
406 HB2 LYS 54 HB2 LYS 54 3.375 -2.058 14.721
407 HB3 LYS 54 HB3 LYS 54 4.006 -2.740 13.228
408 HG2 LYS 54 HG2 LYS 54 4.169 -4.966 14.646
409 HG3 LYS 54 HG3 LYS 54 3.010 -4.165 15.700
410 HD2 LYS 54 HD2 LYS 54 2.580 -4.617 12.717
411 HD3 LYS 54 HD3 LYS 54 2.006 -5.718 13.963
412 HE2 LYS 54 HE2 LYS 54 0.165 -4.338 13.254
413 HE3 LYS 54 HE3 LYS 54 0.609 -3.852 14.886
414 HZ1 LYS 54 HZ1 LYS 54 1.600 -1.884 14.069
415 HZ2 LYS 54 HZ2 LYS 54 0.120 -2.021 13.268
416 HZ3 LYS 54 HZ3 LYS 54 1.551 -2.417 12.465
417 H GLU 55 H GLU 55 7.563 -3.508 15.910
418 HA GLU 55 HA GLU 55 9.038 -5.188 15.691
419 HB2 GLU 55 HB2 GLU 55 7.050 -6.656 15.364
420 HB3 GLU 55 HB3 GLU 55 7.140 -6.377 13.631
421 HG2 GLU 55 HG2 GLU 55 8.062 -8.569 14.224
422 HG3 GLU 55 HG3 GLU 55 9.309 -7.527 13.538
423 H GLY 56 H GLY 56 7.893 -4.814 12.306
424 HA2 GLY 56 HA2 GLY 56 9.095 -3.899 10.492
425 HA3 GLY 56 HA3 GLY 56 10.576 -3.951 11.451
426 H ILE 57 H ILE 57 8.304 -5.839 9.562
427 HA ILE 57 HA ILE 57 9.544 -8.387 9.881
428 HB ILE 57 HB ILE 57 8.068 -9.061 7.892
429 HG12 ILE 57 HG12 ILE 57 6.982 -6.208 8.163
430 HG13 ILE 57 HG13 ILE 57 7.899 -6.815 6.792
431 HG21 ILE 57 HG21 ILE 57 6.693 -7.765 10.279
432 HG22 ILE 57 HG22 ILE 57 7.360 -9.397 10.224
433 HG23 ILE 57 HG23 ILE 57 5.972 -8.980 9.217
434 HD11 ILE 57 HD11 ILE 57 5.167 -7.778 7.644
435 HD12 ILE 57 HD12 ILE 57 6.094 -8.375 6.266
436 HD13 ILE 57 HD13 ILE 57 5.530 -6.706 6.291
437 H GLN 58 H GLN 58 11.725 -8.128 9.459
438 HA GLN 58 HA GLN 58 12.784 -7.161 6.975
439 HB2 GLN 58 HB2 GLN 58 13.948 -7.277 9.304
440 HB3 GLN 58 HB3 GLN 58 14.260 -8.961 8.931
441 HG2 GLN 58 HG2 GLN 58 15.218 -6.606 7.278
442 HG3 GLN 58 HG3 GLN 58 16.190 -7.446 8.476
443 HE21 GLN 58 HE21 GLN 58 16.885 -9.591 7.995
444 HE22 GLN 58 HE22 GLN 58 16.976 -10.158 6.366
445 H THR 59 H THR 59 12.197 -8.253 5.197
446 HA THR 59 HA THR 59 12.587 -11.184 5.032
447 HB THR 59 HB THR 59 10.875 -11.062 3.104
448 HG1 THR 59 HG1 THR 59 10.291 -8.527 4.301
449 HG21 THR 59 HG21 THR 59 9.859 -10.375 5.890
450 HG22 THR 59 HG22 THR 59 10.202 -11.995 5.279
451 HG23 THR 59 HG23 THR 59 8.881 -11.052 4.586
452 H ARG 60 H ARG 60 14.190 -11.743 3.664
453 HA ARG 60 HA ARG 60 15.651 -9.795 2.135
454 HB2 ARG 60 HB2 ARG 60 15.928 -12.817 2.291
455 HB3 ARG 60 HB3 ARG 60 17.036 -11.760 1.419
456 HG2 ARG 60 HG2 ARG 60 17.571 -10.617 3.581
457 HG3 ARG 60 HG3 ARG 60 16.542 -11.786 4.415
458 HD2 ARG 60 HD2 ARG 60 19.012 -12.433 2.784
459 HD3 ARG 60 HD3 ARG 60 18.921 -12.407 4.545
460 HE ARG 60 HE ARG 60 16.992 -14.185 3.874
461 HH11 ARG 60 HH11 ARG 60 20.395 -13.976 2.985
462 HH12 ARG 60 HH12 ARG 60 20.575 -15.692 2.806
463 HH21 ARG 60 HH21 ARG 60 17.256 -16.451 3.627
464 HH22 ARG 60 HH22 ARG 60 18.801 -17.088 3.170
465 H LYS 61 H LYS 61 13.954 -9.055 0.780
466 HA LYS 61 HA LYS 61 12.751 -10.614 -1.284
467 HB2 LYS 61 HB2 LYS 61 11.836 -8.426 -0.504
468 HB3 LYS 61 HB3 LYS 61 13.265 -7.605 -1.119
469 HG2 LYS 61 HG2 LYS 61 11.401 -7.279 -2.647
470 HG3 LYS 61 HG3 LYS 61 12.637 -8.271 -3.432
471 HD2 LYS 61 HD2 LYS 61 11.307 -10.310 -2.891
472 HD3 LYS 61 HD3 LYS 61 10.070 -9.295 -2.149
473 HE2 LYS 61 HE2 LYS 61 9.649 -8.217 -4.329
474 HE3 LYS 61 HE3 LYS 61 10.904 -9.218 -5.067
475 HZ1 LYS 61 HZ1 LYS 61 8.392 -10.209 -3.824
476 HZ2 LYS 61 HZ2 LYS 61 9.600 -11.185 -4.495
477 HZ3 LYS 61 HZ3 LYS 61 8.721 -10.134 -5.479
478 H ARG 62 H ARG 62 15.531 -8.419 -1.141
479 HA ARG 62 HA ARG 62 17.209 -9.872 -2.882
480 HB2 ARG 62 HB2 ARG 62 15.480 -8.850 -4.525
481 HB3 ARG 62 HB3 ARG 62 16.155 -7.276 -4.123
482 HG2 ARG 62 HG2 ARG 62 18.332 -7.949 -5.012
483 HG3 ARG 62 HG3 ARG 62 17.730 -9.581 -5.319
484 HD2 ARG 62 HD2 ARG 62 16.015 -8.533 -6.890
485 HD3 ARG 62 HD3 ARG 62 16.889 -7.007 -6.697
486 HE ARG 62 HE ARG 62 18.612 -9.157 -7.481
487 HH11 ARG 62 HH11 ARG 62 16.304 -6.830 -8.788
488 HH12 ARG 62 HH12 ARG 62 16.992 -6.862 -10.379
489 HH21 ARG 62 HH21 ARG 62 19.497 -9.186 -9.584
490 HH22 ARG 62 HH22 ARG 62 18.797 -8.196 -10.821
491 H LYS 63 H LYS 63 19.341 -8.791 -3.036
492 HA LYS 63 HA LYS 63 19.957 -7.212 -0.730
493 HB2 LYS 63 HB2 LYS 63 22.295 -7.226 -1.531
494 HB3 LYS 63 HB3 LYS 63 21.589 -8.837 -1.537
495 HG2 LYS 63 HG2 LYS 63 21.359 -8.806 -3.956
496 HG3 LYS 63 HG3 LYS 63 21.856 -7.109 -4.023
497 HD2 LYS 63 HD2 LYS 63 24.096 -7.750 -3.127
498 HD3 LYS 63 HD3 LYS 63 23.597 -9.444 -3.125
499 HE2 LYS 63 HE2 LYS 63 23.323 -9.367 -5.574
500 HE3 LYS 63 HE3 LYS 63 23.812 -7.669 -5.581
501 HZ1 LYS 63 HZ1 LYS 63 25.940 -8.412 -4.568
502 HZ2 LYS 63 HZ2 LYS 63 25.696 -8.973 -6.141
503 HZ3 LYS 63 HZ3 LYS 63 25.471 -10.012 -4.824
Start of MODEL 18
1 H1 SER 1 H1 SER 1 -8.901 24.218 11.721
2 H2 SER 1 H2 SER 1 -8.373 25.747 12.209
3 H3 SER 1 H3 SER 1 -7.673 24.997 10.869
4 HA SER 1 HA SER 1 -10.492 25.855 11.069
5 HB2 SER 1 HB2 SER 1 -9.746 27.635 9.404
6 HB3 SER 1 HB3 SER 1 -9.039 27.809 11.009
7 HG SER 1 HG SER 1 -7.685 27.875 8.918
8 H HIS 2 H HIS 2 -9.730 23.237 10.429
9 HA HIS 2 HA HIS 2 -10.038 23.025 7.483
10 HB2 HIS 2 HB2 HIS 2 -8.808 20.857 7.691
11 HB3 HIS 2 HB3 HIS 2 -7.841 22.223 8.244
12 HD2 HIS 2 HD2 HIS 2 -9.173 18.856 9.537
13 HE1 HIS 2 HE1 HIS 2 -7.479 20.926 12.818
14 HE2 HIS 2 HE2 HIS 2 -8.569 18.769 12.057
15 H MET 3 H MET 3 -12.123 23.136 9.769
16 HA MET 3 HA MET 3 -13.274 20.557 10.094
17 HB2 MET 3 HB2 MET 3 -13.707 22.475 11.637
18 HB3 MET 3 HB3 MET 3 -14.630 23.282 10.378
19 HG2 MET 3 HG2 MET 3 -15.385 20.601 11.581
20 HG3 MET 3 HG3 MET 3 -16.012 22.147 12.144
21 HE1 MET 3 HE1 MET 3 -19.109 20.507 10.300
22 HE2 MET 3 HE2 MET 3 -18.553 21.242 11.802
23 HE3 MET 3 HE3 MET 3 -17.886 19.693 11.277
24 H SER 4 H SER 4 -13.642 19.474 8.243
25 HA SER 4 HA SER 4 -15.818 20.408 6.482
26 HB2 SER 4 HB2 SER 4 -14.496 19.350 4.530
27 HB3 SER 4 HB3 SER 4 -13.880 20.884 5.142
28 HG SER 4 HG SER 4 -12.280 19.769 6.244
29 H ALA 5 H ALA 5 -17.155 19.070 7.719
30 HA ALA 5 HA ALA 5 -16.567 16.269 8.126
31 HB1 ALA 5 HB1 ALA 5 -17.781 17.537 9.841
32 HB2 ALA 5 HB2 ALA 5 -18.750 16.184 9.258
33 HB3 ALA 5 HB3 ALA 5 -19.111 17.825 8.717
34 H SER 6 H SER 6 -16.483 15.176 6.234
35 HA SER 6 HA SER 6 -19.036 14.712 4.829
36 HB2 SER 6 HB2 SER 6 -16.358 15.095 3.390
37 HB3 SER 6 HB3 SER 6 -17.903 14.700 2.630
38 HG SER 6 HG SER 6 -17.185 17.093 3.970
39 H ARG 7 H ARG 7 -19.423 12.639 5.458
40 HA ARG 7 HA ARG 7 -17.250 10.729 5.858
41 HB2 ARG 7 HB2 ARG 7 -20.240 10.189 6.113
42 HB3 ARG 7 HB3 ARG 7 -18.919 9.197 6.723
43 HG2 ARG 7 HG2 ARG 7 -18.323 11.215 8.221
44 HG3 ARG 7 HG3 ARG 7 -19.903 11.858 7.770
45 HD2 ARG 7 HD2 ARG 7 -19.280 9.331 9.321
46 HD3 ARG 7 HD3 ARG 7 -20.218 10.728 9.848
47 HE ARG 7 HE ARG 7 -21.732 9.882 7.836
48 HH11 ARG 7 HH11 ARG 7 -20.241 7.988 10.410
49 HH12 ARG 7 HH12 ARG 7 -21.472 6.772 10.391
50 HH21 ARG 7 HH21 ARG 7 -23.312 8.238 7.795
51 HH22 ARG 7 HH22 ARG 7 -23.214 6.911 8.905
52 H ARG 8 H ARG 8 -17.028 11.365 3.321
53 HA ARG 8 HA ARG 8 -18.475 9.520 1.598
54 HB2 ARG 8 HB2 ARG 8 -17.449 11.923 0.988
55 HB3 ARG 8 HB3 ARG 8 -15.992 10.998 0.679
56 HG2 ARG 8 HG2 ARG 8 -18.680 10.593 -0.691
57 HG3 ARG 8 HG3 ARG 8 -17.282 11.405 -1.389
58 HD2 ARG 8 HD2 ARG 8 -16.037 9.333 -1.485
59 HD3 ARG 8 HD3 ARG 8 -17.263 8.486 -0.536
60 HE ARG 8 HE ARG 8 -17.984 9.612 -3.162
61 HH11 ARG 8 HH11 ARG 8 -17.461 6.744 -1.168
62 HH12 ARG 8 HH12 ARG 8 -18.202 5.676 -2.312
63 HH21 ARG 8 HH21 ARG 8 -18.951 8.215 -4.621
64 HH22 ARG 8 HH22 ARG 8 -19.053 6.517 -4.282
65 H VAL 9 H VAL 9 -17.993 7.616 2.652
66 HA VAL 9 HA VAL 9 -15.250 6.645 2.900
67 HB VAL 9 HB VAL 9 -17.877 5.247 3.608
68 HG11 VAL 9 HG11 VAL 9 -15.020 4.559 4.402
69 HG12 VAL 9 HG12 VAL 9 -16.045 3.643 3.292
70 HG13 VAL 9 HG13 VAL 9 -16.471 3.749 5.002
71 HG21 VAL 9 HG21 VAL 9 -17.409 5.853 5.965
72 HG22 VAL 9 HG22 VAL 9 -17.629 7.290 4.964
73 HG23 VAL 9 HG23 VAL 9 -16.005 6.792 5.450
74 H GLY 10 H GLY 10 -14.564 6.342 0.765
75 HA2 GLY 10 HA2 GLY 10 -15.920 4.646 -1.126
76 HA3 GLY 10 HA3 GLY 10 -14.206 5.060 -1.137
77 H LEU 11 H LEU 11 -12.964 4.074 0.710
78 HA LEU 11 HA LEU 11 -13.992 1.643 1.984
79 HB2 LEU 11 HB2 LEU 11 -11.418 1.834 0.356
80 HB3 LEU 11 HB3 LEU 11 -11.625 0.612 1.598
81 HG LEU 11 HG LEU 11 -13.479 0.857 -0.808
82 HD11 LEU 11 HD11 LEU 11 -12.290 -1.003 -1.826
83 HD12 LEU 11 HD12 LEU 11 -11.137 -1.029 -0.493
84 HD13 LEU 11 HD13 LEU 11 -11.194 0.357 -1.582
85 HD21 LEU 11 HD21 LEU 11 -14.468 -0.291 1.117
86 HD22 LEU 11 HD22 LEU 11 -13.074 -1.370 1.217
87 HD23 LEU 11 HD23 LEU 11 -14.148 -1.437 -0.184
88 H SER 12 H SER 12 -11.509 1.156 3.421
89 HA SER 12 HA SER 12 -10.624 3.792 4.425
90 HB2 SER 12 HB2 SER 12 -11.264 1.448 6.279
91 HB3 SER 12 HB3 SER 12 -10.678 3.034 6.761
92 HG SER 12 HG SER 12 -12.855 3.430 5.332
93 H CYS 13 H CYS 13 -8.476 3.909 4.301
94 HA CYS 13 HA CYS 13 -6.765 1.930 3.355
95 HB2 CYS 13 HB2 CYS 13 -6.286 4.364 3.271
96 HB3 CYS 13 HB3 CYS 13 -6.047 4.387 5.016
97 H ALA 14 H ALA 14 -6.025 0.133 4.331
98 HA ALA 14 HA ALA 14 -6.194 -0.255 7.222
99 HB1 ALA 14 HB1 ALA 14 -5.434 -2.186 5.000
100 HB2 ALA 14 HB2 ALA 14 -7.034 -2.013 5.723
101 HB3 ALA 14 HB3 ALA 14 -5.688 -2.610 6.696
102 H ASN 15 H ASN 15 -4.486 1.661 6.772
103 HA ASN 15 HA ASN 15 -2.004 0.775 7.824
104 HB2 ASN 15 HB2 ASN 15 -1.486 0.392 5.436
105 HB3 ASN 15 HB3 ASN 15 -2.035 2.011 5.017
106 HD21 ASN 15 HD21 ASN 15 -0.670 3.778 5.489
107 HD22 ASN 15 HD22 ASN 15 0.976 3.582 5.943
108 H CYS 16 H CYS 16 -3.757 3.408 6.186
109 HA CYS 16 HA CYS 16 -2.576 5.437 7.965
110 HB2 CYS 16 HB2 CYS 16 -4.200 5.771 5.423
111 HB3 CYS 16 HB3 CYS 16 -3.389 7.062 6.340
112 H GLN 17 H GLN 17 -5.584 3.813 7.274
113 HA GLN 17 HA GLN 17 -7.735 3.973 7.939
114 HB2 GLN 17 HB2 GLN 17 -6.457 5.327 10.354
115 HB3 GLN 17 HB3 GLN 17 -8.170 4.925 10.283
116 HG2 GLN 17 HG2 GLN 17 -7.615 2.532 10.063
117 HG3 GLN 17 HG3 GLN 17 -5.893 2.919 10.095
118 HE21 GLN 17 HE21 GLN 17 -4.931 3.437 12.080
119 HE22 GLN 17 HE22 GLN 17 -5.741 3.237 13.594
120 H THR 18 H THR 18 -7.227 5.657 5.988
121 HA THR 18 HA THR 18 -8.929 8.002 6.607
122 HB THR 18 HB THR 18 -6.694 8.776 5.885
123 HG1 THR 18 HG1 THR 18 -7.511 9.974 3.946
124 HG21 THR 18 HG21 THR 18 -5.995 6.853 4.467
125 HG22 THR 18 HG22 THR 18 -5.828 8.387 3.615
126 HG23 THR 18 HG23 THR 18 -7.188 7.323 3.252
127 H THR 19 H THR 19 -10.759 8.237 5.415
128 HA THR 19 HA THR 19 -11.580 5.964 3.737
129 HB THR 19 HB THR 19 -13.887 6.866 4.083
130 HG1 THR 19 HG1 THR 19 -13.849 8.969 4.487
131 HG21 THR 19 HG21 THR 19 -12.337 6.571 6.685
132 HG22 THR 19 HG22 THR 19 -12.953 5.228 5.716
133 HG23 THR 19 HG23 THR 19 -14.079 6.356 6.481
134 H THR 20 H THR 20 -10.442 9.132 3.394
135 HA THR 20 HA THR 20 -11.628 9.463 0.710
136 HB THR 20 HB THR 20 -12.366 11.254 2.171
137 HG1 THR 20 HG1 THR 20 -11.513 11.718 -0.076
138 HG21 THR 20 HG21 THR 20 -10.837 12.850 3.261
139 HG22 THR 20 HG22 THR 20 -9.449 11.902 2.731
140 HG23 THR 20 HG23 THR 20 -10.591 11.216 3.889
141 H THR 21 H THR 21 -10.277 8.969 -0.842
142 HA THR 21 HA THR 21 -7.772 10.210 -1.264
143 HB THR 21 HB THR 21 -7.018 8.420 0.377
144 HG1 THR 21 HG1 THR 21 -5.297 8.821 -0.790
145 HG21 THR 21 HG21 THR 21 -6.931 6.073 -0.330
146 HG22 THR 21 HG22 THR 21 -7.773 6.470 -1.827
147 HG23 THR 21 HG23 THR 21 -8.606 6.625 -0.280
148 H THR 22 H THR 22 -6.670 8.885 -3.248
149 HA THR 22 HA THR 22 -8.799 7.992 -5.126
150 HB THR 22 HB THR 22 -7.236 8.782 -6.946
151 HG1 THR 22 HG1 THR 22 -5.488 8.905 -5.023
152 HG21 THR 22 HG21 THR 22 -9.072 10.293 -6.225
153 HG22 THR 22 HG22 THR 22 -7.637 11.206 -6.693
154 HG23 THR 22 HG23 THR 22 -8.010 10.977 -4.986
155 H LEU 23 H LEU 23 -8.326 6.163 -6.413
156 HA LEU 23 HA LEU 23 -7.478 4.173 -7.045
157 HB2 LEU 23 HB2 LEU 23 -5.662 5.610 -7.928
158 HB3 LEU 23 HB3 LEU 23 -4.807 5.452 -6.407
159 HG LEU 23 HG LEU 23 -4.630 2.946 -6.860
160 HD11 LEU 23 HD11 LEU 23 -4.957 2.139 -9.141
161 HD12 LEU 23 HD12 LEU 23 -5.590 3.713 -9.631
162 HD13 LEU 23 HD13 LEU 23 -6.472 2.727 -8.461
163 HD21 LEU 23 HD21 LEU 23 -2.728 4.451 -7.244
164 HD22 LEU 23 HD22 LEU 23 -3.293 4.769 -8.887
165 HD23 LEU 23 HD23 LEU 23 -2.764 3.148 -8.430
166 H TRP 24 H TRP 24 -8.459 3.030 -5.365
167 HA TRP 24 HA TRP 24 -7.076 2.395 -2.911
168 HB2 TRP 24 HB2 TRP 24 -9.651 1.326 -4.143
169 HB3 TRP 24 HB3 TRP 24 -9.007 0.748 -2.609
170 HD1 TRP 24 HD1 TRP 24 -11.131 3.517 -4.036
171 HE1 TRP 24 HE1 TRP 24 -11.810 5.139 -2.162
172 HE3 TRP 24 HE3 TRP 24 -7.985 1.867 -0.343
173 HZ2 TRP 24 HZ2 TRP 24 -11.111 5.658 0.535
174 HZ3 TRP 24 HZ3 TRP 24 -8.052 2.985 1.846
175 HH2 TRP 24 HH2 TRP 24 -9.582 4.842 2.274
176 H ARG 25 H ARG 25 -5.227 1.302 -3.245
177 HA ARG 25 HA ARG 25 -5.142 -1.165 -4.855
178 HB2 ARG 25 HB2 ARG 25 -2.968 0.365 -3.361
179 HB3 ARG 25 HB3 ARG 25 -2.695 -1.175 -4.174
180 HG2 ARG 25 HG2 ARG 25 -3.442 -0.106 -6.319
181 HG3 ARG 25 HG3 ARG 25 -3.508 1.442 -5.475
182 HD2 ARG 25 HD2 ARG 25 -1.115 1.372 -5.058
183 HD3 ARG 25 HD3 ARG 25 -1.009 -0.275 -5.695
184 HE ARG 25 HE ARG 25 -2.070 1.535 -7.633
185 HH11 ARG 25 HH11 ARG 25 0.995 0.480 -6.224
186 HH12 ARG 25 HH12 ARG 25 1.921 0.938 -7.620
187 HH21 ARG 25 HH21 ARG 25 -0.836 2.139 -9.440
188 HH22 ARG 25 HH22 ARG 25 0.882 1.880 -9.445
189 H ARG 26 H ARG 26 -3.608 -2.892 -3.535
190 HA ARG 26 HA ARG 26 -4.685 -3.222 -0.782
191 HB2 ARG 26 HB2 ARG 26 -3.994 -5.413 -2.802
192 HB3 ARG 26 HB3 ARG 26 -4.269 -5.719 -1.095
193 HG2 ARG 26 HG2 ARG 26 -6.300 -6.298 -2.093
194 HG3 ARG 26 HG3 ARG 26 -6.601 -4.688 -1.443
195 HD2 ARG 26 HD2 ARG 26 -6.273 -3.721 -3.693
196 HD3 ARG 26 HD3 ARG 26 -5.943 -5.332 -4.339
197 HE ARG 26 HE ARG 26 -8.533 -4.226 -3.554
198 HH11 ARG 26 HH11 ARG 26 -6.764 -7.089 -4.605
199 HH12 ARG 26 HH12 ARG 26 -8.199 -7.937 -5.097
200 HH21 ARG 26 HH21 ARG 26 -10.396 -5.365 -4.194
201 HH22 ARG 26 HH22 ARG 26 -10.251 -6.957 -4.859
202 H ASN 27 H ASN 27 -3.243 -4.257 0.735
203 HA ASN 27 HA ASN 27 -0.383 -3.655 0.270
204 HB2 ASN 27 HB2 ASN 27 -0.164 -3.925 2.760
205 HB3 ASN 27 HB3 ASN 27 -1.318 -2.680 2.303
206 HD21 ASN 27 HD21 ASN 27 -2.239 -2.825 4.404
207 HD22 ASN 27 HD22 ASN 27 -3.278 -4.134 4.836
208 H ALA 28 H ALA 28 0.782 -5.451 2.075
209 HA ALA 28 HA ALA 28 1.191 -7.735 0.466
210 HB1 ALA 28 HB1 ALA 28 2.034 -7.270 3.341
211 HB2 ALA 28 HB2 ALA 28 2.931 -6.759 1.912
212 HB3 ALA 28 HB3 ALA 28 2.709 -8.478 2.244
213 H GLU 29 H GLU 29 -1.142 -7.139 2.935
214 HA GLU 29 HA GLU 29 -1.693 -9.945 3.562
215 HB2 GLU 29 HB2 GLU 29 -3.259 -7.448 4.370
216 HB3 GLU 29 HB3 GLU 29 -3.390 -9.054 5.090
217 HG2 GLU 29 HG2 GLU 29 -1.118 -8.865 5.996
218 HG3 GLU 29 HG3 GLU 29 -0.918 -7.293 5.218
219 H GLY 30 H GLY 30 -2.904 -7.347 1.549
220 HA2 GLY 30 HA2 GLY 30 -4.348 -7.703 -0.339
221 HA3 GLY 30 HA3 GLY 30 -5.137 -9.019 0.519
222 H GLU 31 H GLU 31 -4.508 -6.417 2.568
223 HA GLU 31 HA GLU 31 -7.288 -5.612 2.722
224 HB2 GLU 31 HB2 GLU 31 -4.809 -4.783 4.292
225 HB3 GLU 31 HB3 GLU 31 -6.422 -4.168 4.625
226 HG2 GLU 31 HG2 GLU 31 -5.560 -7.065 4.831
227 HG3 GLU 31 HG3 GLU 31 -5.792 -5.957 6.181
228 HA PRO 32 HA PRO 32 -6.893 -2.223 -0.128
229 HB2 PRO 32 HB2 PRO 32 -9.045 -0.660 0.576
230 HB3 PRO 32 HB3 PRO 32 -9.224 -2.242 -0.208
231 HG2 PRO 32 HG2 PRO 32 -9.440 -1.573 2.714
232 HG3 PRO 32 HG3 PRO 32 -10.523 -2.567 1.712
233 HD2 PRO 32 HD2 PRO 32 -8.656 -3.697 3.314
234 HD3 PRO 32 HD3 PRO 32 -9.089 -4.416 1.745
235 H VAL 33 H VAL 33 -5.471 -0.594 -0.150
236 HA VAL 33 HA VAL 33 -5.269 1.342 2.080
237 HB VAL 33 HB VAL 33 -2.810 1.516 1.601
238 HG11 VAL 33 HG11 VAL 33 -3.678 -1.295 2.372
239 HG12 VAL 33 HG12 VAL 33 -3.569 0.093 3.457
240 HG13 VAL 33 HG13 VAL 33 -2.106 -0.563 2.721
241 HG21 VAL 33 HG21 VAL 33 -3.201 -0.902 -0.212
242 HG22 VAL 33 HG22 VAL 33 -1.645 -0.209 0.255
243 HG23 VAL 33 HG23 VAL 33 -2.767 0.729 -0.731
244 H CYS 34 H CYS 34 -4.462 3.443 1.442
245 HA CYS 34 HA CYS 34 -5.474 4.586 -0.947
246 HB2 CYS 34 HB2 CYS 34 -4.110 6.594 -0.148
247 HB3 CYS 34 HB3 CYS 34 -5.244 5.946 1.035
248 H ASN 35 H ASN 35 -4.155 5.705 -2.663
249 HA ASN 35 HA ASN 35 -2.215 3.996 -3.800
250 HB2 ASN 35 HB2 ASN 35 -1.827 5.724 -5.535
251 HB3 ASN 35 HB3 ASN 35 -3.529 5.392 -5.275
252 HD21 ASN 35 HD21 ASN 35 -3.742 7.381 -6.494
253 HD22 ASN 35 HD22 ASN 35 -3.677 8.898 -5.664
254 H ALA 36 H ALA 36 -1.867 6.802 -1.706
255 HA ALA 36 HA ALA 36 0.850 7.410 -2.081
256 HB1 ALA 36 HB1 ALA 36 -0.703 8.824 -0.793
257 HB2 ALA 36 HB2 ALA 36 0.740 8.452 0.154
258 HB3 ALA 36 HB3 ALA 36 -0.777 7.606 0.482
259 H CYS 37 H CYS 37 -0.682 4.892 -0.138
260 HA CYS 37 HA CYS 37 1.822 3.939 1.024
261 HB2 CYS 37 HB2 CYS 37 -1.009 2.848 1.281
262 HB3 CYS 37 HB3 CYS 37 0.381 2.360 2.253
263 H GLY 38 H GLY 38 -0.455 3.057 -1.492
264 HA2 GLY 38 HA2 GLY 38 0.415 0.375 -1.949
265 HA3 GLY 38 HA3 GLY 38 -0.617 1.338 -2.986
266 H LEU 39 H LEU 39 1.234 3.483 -3.411
267 HA LEU 39 HA LEU 39 2.919 2.507 -5.514
268 HB2 LEU 39 HB2 LEU 39 2.754 5.233 -4.162
269 HB3 LEU 39 HB3 LEU 39 3.767 4.900 -5.558
270 HG LEU 39 HG LEU 39 0.731 4.622 -5.601
271 HD11 LEU 39 HD11 LEU 39 0.669 6.770 -6.780
272 HD12 LEU 39 HD12 LEU 39 2.407 6.966 -6.545
273 HD13 LEU 39 HD13 LEU 39 1.322 6.958 -5.153
274 HD21 LEU 39 HD21 LEU 39 1.890 3.300 -7.314
275 HD22 LEU 39 HD22 LEU 39 2.757 4.740 -7.857
276 HD23 LEU 39 HD23 LEU 39 1.004 4.639 -8.038
277 H TYR 40 H TYR 40 3.364 3.603 -2.184
278 HA TYR 40 HA TYR 40 6.190 3.722 -2.118
279 HB2 TYR 40 HB2 TYR 40 4.385 4.696 -0.454
280 HB3 TYR 40 HB3 TYR 40 4.491 3.133 0.339
281 HD1 TYR 40 HD1 TYR 40 6.663 2.459 1.480
282 HD2 TYR 40 HD2 TYR 40 6.144 6.338 -0.254
283 HE1 TYR 40 HE1 TYR 40 8.602 3.291 2.749
284 HE2 TYR 40 HE2 TYR 40 8.086 7.160 1.004
285 HH TYR 40 HH TYR 40 9.348 6.603 3.033
286 H MET 41 H MET 41 3.862 1.127 -1.489
287 HA MET 41 HA MET 41 5.817 -0.837 -0.688
288 HB2 MET 41 HB2 MET 41 3.560 -1.088 0.144
289 HB3 MET 41 HB3 MET 41 2.888 -1.073 -1.480
290 HG2 MET 41 HG2 MET 41 3.752 -3.265 -1.949
291 HG3 MET 41 HG3 MET 41 4.745 -3.257 -0.494
292 HE1 MET 41 HE1 MET 41 2.912 -2.272 1.832
293 HE2 MET 41 HE2 MET 41 3.905 -3.729 1.892
294 HE3 MET 41 HE3 MET 41 2.204 -3.802 2.357
295 H LYS 42 H LYS 42 4.243 0.076 -3.720
296 HA LYS 42 HA LYS 42 5.102 -2.154 -5.278
297 HB2 LYS 42 HB2 LYS 42 3.202 -0.586 -5.860
298 HB3 LYS 42 HB3 LYS 42 4.389 0.653 -6.249
299 HG2 LYS 42 HG2 LYS 42 3.577 -0.403 -8.288
300 HG3 LYS 42 HG3 LYS 42 5.286 -0.789 -8.058
301 HD2 LYS 42 HD2 LYS 42 4.632 -3.020 -7.137
302 HD3 LYS 42 HD3 LYS 42 2.935 -2.624 -7.414
303 HE2 LYS 42 HE2 LYS 42 3.336 -2.518 -9.832
304 HE3 LYS 42 HE3 LYS 42 5.056 -2.827 -9.577
305 HZ1 LYS 42 HZ1 LYS 42 3.802 -4.821 -10.229
306 HZ2 LYS 42 HZ2 LYS 42 2.882 -4.702 -8.816
307 HZ3 LYS 42 HZ3 LYS 42 4.543 -4.992 -8.721
308 H LEU 43 H LEU 43 6.605 0.862 -4.354
309 HA LEU 43 HA LEU 43 8.882 0.609 -6.157
310 HB2 LEU 43 HB2 LEU 43 8.135 2.636 -4.022
311 HB3 LEU 43 HB3 LEU 43 9.631 2.720 -4.925
312 HG LEU 43 HG LEU 43 6.860 2.905 -6.170
313 HD11 LEU 43 HD11 LEU 43 8.843 5.129 -5.591
314 HD12 LEU 43 HD12 LEU 43 7.302 4.865 -4.772
315 HD13 LEU 43 HD13 LEU 43 7.324 5.301 -6.478
316 HD21 LEU 43 HD21 LEU 43 9.595 3.360 -7.412
317 HD22 LEU 43 HD22 LEU 43 8.041 3.621 -8.208
318 HD23 LEU 43 HD23 LEU 43 8.520 1.994 -7.731
319 H HIS 44 H HIS 44 8.405 0.807 -2.601
320 HA HIS 44 HA HIS 44 11.226 0.019 -2.195
321 HB2 HIS 44 HB2 HIS 44 9.328 1.515 -0.325
322 HB3 HIS 44 HB3 HIS 44 11.042 1.213 -0.031
323 HD1 HIS 44 HD1 HIS 44 12.632 2.226 -2.090
324 HD2 HIS 44 HD2 HIS 44 8.917 3.990 -1.462
325 HE1 HIS 44 HE1 HIS 44 12.707 4.409 -3.323
326 HE2 HIS 44 HE2 HIS 44 10.503 5.510 -2.825
327 H GLY 45 H GLY 45 8.228 -1.423 -2.040
328 HA2 GLY 45 HA2 GLY 45 7.851 -3.640 -1.424
329 HA3 GLY 45 HA3 GLY 45 9.266 -3.608 -0.387
330 H VAL 46 H VAL 46 8.503 -1.234 1.070
331 HA VAL 46 HA VAL 46 6.555 -2.448 2.922
332 HB VAL 46 HB VAL 46 7.485 -0.965 4.622
333 HG11 VAL 46 HG11 VAL 46 9.687 -2.318 3.017
334 HG12 VAL 46 HG12 VAL 46 8.670 -3.072 4.246
335 HG13 VAL 46 HG13 VAL 46 9.821 -1.817 4.706
336 HG21 VAL 46 HG21 VAL 46 9.238 0.231 2.427
337 HG22 VAL 46 HG22 VAL 46 9.403 0.573 4.152
338 HG23 VAL 46 HG23 VAL 46 7.939 1.059 3.295
339 HA PRO 47 HA PRO 47 3.617 0.885 2.075
340 HB2 PRO 47 HB2 PRO 47 2.334 0.906 4.644
341 HB3 PRO 47 HB3 PRO 47 1.849 -0.032 3.224
342 HG2 PRO 47 HG2 PRO 47 2.869 -1.074 5.644
343 HG3 PRO 47 HG3 PRO 47 2.601 -1.959 4.133
344 HD2 PRO 47 HD2 PRO 47 5.147 -0.903 5.261
345 HD3 PRO 47 HD3 PRO 47 4.882 -2.274 4.160
346 H ARG 48 H ARG 48 2.697 2.955 3.272
347 HA ARG 48 HA ARG 48 4.990 4.626 3.809
348 HB2 ARG 48 HB2 ARG 48 2.405 5.043 2.691
349 HB3 ARG 48 HB3 ARG 48 2.406 5.988 4.170
350 HG2 ARG 48 HG2 ARG 48 4.466 7.151 3.398
351 HG3 ARG 48 HG3 ARG 48 4.401 6.222 1.896
352 HD2 ARG 48 HD2 ARG 48 2.173 7.198 1.417
353 HD3 ARG 48 HD3 ARG 48 2.291 8.162 2.893
354 HE ARG 48 HE ARG 48 4.457 8.503 0.995
355 HH11 ARG 48 HH11 ARG 48 1.338 9.750 2.076
356 HH12 ARG 48 HH12 ARG 48 1.579 11.302 1.344
357 HH21 ARG 48 HH21 ARG 48 4.744 10.523 0.043
358 HH22 ARG 48 HH22 ARG 48 3.518 11.740 0.189
359 HA PRO 49 HA PRO 49 4.420 3.871 8.295
360 HB2 PRO 49 HB2 PRO 49 6.853 5.532 8.682
361 HB3 PRO 49 HB3 PRO 49 6.616 3.809 9.029
362 HG2 PRO 49 HG2 PRO 49 8.212 4.636 7.017
363 HG3 PRO 49 HG3 PRO 49 7.261 3.138 6.910
364 HD2 PRO 49 HD2 PRO 49 6.635 5.845 5.726
365 HD3 PRO 49 HD3 PRO 49 6.520 4.233 4.977
366 H LEU 50 H LEU 50 3.207 5.031 9.734
367 HA LEU 50 HA LEU 50 2.567 7.816 9.174
368 HB2 LEU 50 HB2 LEU 50 1.506 5.967 11.343
369 HB3 LEU 50 HB3 LEU 50 0.869 7.557 10.963
370 HG LEU 50 HG LEU 50 0.749 5.102 9.166
371 HD11 LEU 50 HD11 LEU 50 -0.777 4.954 11.054
372 HD12 LEU 50 HD12 LEU 50 -1.678 5.225 9.563
373 HD13 LEU 50 HD13 LEU 50 -1.429 6.556 10.695
374 HD21 LEU 50 HD21 LEU 50 0.973 7.114 7.782
375 HD22 LEU 50 HD22 LEU 50 -0.354 7.889 8.651
376 HD23 LEU 50 HD23 LEU 50 -0.659 6.461 7.660
377 H ALA 51 H ALA 51 4.893 8.356 9.675
378 HA ALA 51 HA ALA 51 6.428 9.480 10.859
379 HB1 ALA 51 HB1 ALA 51 4.535 11.019 11.220
380 HB2 ALA 51 HB2 ALA 51 5.673 11.048 12.570
381 HB3 ALA 51 HB3 ALA 51 4.146 10.176 12.721
382 H MET 52 H MET 52 4.594 8.578 13.792
383 HA MET 52 HA MET 52 6.540 6.571 14.650
384 HB2 MET 52 HB2 MET 52 6.215 9.256 16.080
385 HB3 MET 52 HB3 MET 52 6.833 7.838 16.910
386 HG2 MET 52 HG2 MET 52 8.801 7.793 15.510
387 HG3 MET 52 HG3 MET 52 8.147 9.048 14.462
388 HE1 MET 52 HE1 MET 52 9.467 8.282 18.133
389 HE2 MET 52 HE2 MET 52 7.895 9.029 18.425
390 HE3 MET 52 HE3 MET 52 9.375 9.888 18.852
391 H ARG 53 H ARG 53 5.752 5.266 16.380
392 HA ARG 53 HA ARG 53 3.590 6.142 18.056
393 HB2 ARG 53 HB2 ARG 53 2.005 4.326 17.664
394 HB3 ARG 53 HB3 ARG 53 2.259 5.224 16.176
395 HG2 ARG 53 HG2 ARG 53 3.709 3.409 15.315
396 HG3 ARG 53 HG3 ARG 53 3.479 2.508 16.815
397 HD2 ARG 53 HD2 ARG 53 1.044 2.375 16.346
398 HD3 ARG 53 HD3 ARG 53 1.287 3.262 14.842
399 HE ARG 53 HE ARG 53 2.693 0.711 15.218
400 HH11 ARG 53 HH11 ARG 53 0.115 2.472 13.609
401 HH12 ARG 53 HH12 ARG 53 -0.125 1.258 12.398
402 HH21 ARG 53 HH21 ARG 53 2.363 -0.887 13.627
403 HH22 ARG 53 HH22 ARG 53 1.152 -0.657 12.407
404 H LYS 54 H LYS 54 3.477 4.984 19.969
405 HA LYS 54 HA LYS 54 5.591 2.969 20.474
406 HB2 LYS 54 HB2 LYS 54 4.359 5.082 22.297
407 HB3 LYS 54 HB3 LYS 54 5.391 3.786 22.892
408 HG2 LYS 54 HG2 LYS 54 6.267 5.820 20.826
409 HG3 LYS 54 HG3 LYS 54 6.528 6.016 22.556
410 HD2 LYS 54 HD2 LYS 54 7.591 3.601 21.038
411 HD3 LYS 54 HD3 LYS 54 8.487 5.115 21.138
412 HE2 LYS 54 HE2 LYS 54 9.319 3.613 22.841
413 HE3 LYS 54 HE3 LYS 54 8.463 4.933 23.628
414 HZ1 LYS 54 HZ1 LYS 54 7.972 2.783 24.624
415 HZ2 LYS 54 HZ2 LYS 54 7.354 2.216 23.159
416 HZ3 LYS 54 HZ3 LYS 54 6.578 3.478 23.971
417 H GLU 55 H GLU 55 2.480 4.056 21.873
418 HA GLU 55 HA GLU 55 1.463 1.271 21.959
419 HB2 GLU 55 HB2 GLU 55 1.342 3.260 24.289
420 HB3 GLU 55 HB3 GLU 55 0.566 1.679 24.255
421 HG2 GLU 55 HG2 GLU 55 2.762 0.575 24.172
422 HG3 GLU 55 HG3 GLU 55 3.564 2.145 24.148
423 H GLY 56 H GLY 56 -0.980 1.450 22.760
424 HA2 GLY 56 HA2 GLY 56 -2.641 3.612 22.420
425 HA3 GLY 56 HA3 GLY 56 -2.403 2.992 20.788
426 H ILE 57 H ILE 57 -4.204 1.860 20.255
427 HA ILE 57 HA ILE 57 -5.399 -0.009 22.176
428 HB ILE 57 HB ILE 57 -6.277 0.581 19.301
429 HG12 ILE 57 HG12 ILE 57 -8.296 1.719 20.488
430 HG13 ILE 57 HG13 ILE 57 -7.306 1.730 21.941
431 HG21 ILE 57 HG21 ILE 57 -7.713 -0.983 21.485
432 HG22 ILE 57 HG22 ILE 57 -6.977 -1.661 20.032
433 HG23 ILE 57 HG23 ILE 57 -8.378 -0.599 19.895
434 HD11 ILE 57 HD11 ILE 57 -5.669 3.147 20.790
435 HD12 ILE 57 HD12 ILE 57 -7.275 3.871 20.813
436 HD13 ILE 57 HD13 ILE 57 -6.673 3.116 19.339
437 H GLN 58 H GLN 58 -3.334 -1.164 22.259
438 HA GLN 58 HA GLN 58 -2.344 -2.543 19.909
439 HB2 GLN 58 HB2 GLN 58 -0.749 -1.717 21.613
440 HB3 GLN 58 HB3 GLN 58 -1.482 -2.761 22.826
441 HG2 GLN 58 HG2 GLN 58 -0.793 -4.750 21.459
442 HG3 GLN 58 HG3 GLN 58 0.037 -3.659 20.353
443 HE21 GLN 58 HE21 GLN 58 1.996 -2.713 21.017
444 HE22 GLN 58 HE22 GLN 58 2.854 -3.252 22.415
445 H THR 59 H THR 59 -4.147 -3.746 19.327
446 HA THR 59 HA THR 59 -5.156 -5.867 21.058
447 HB THR 59 HB THR 59 -6.756 -4.748 19.566
448 HG1 THR 59 HG1 THR 59 -7.230 -6.890 19.986
449 HG21 THR 59 HG21 THR 59 -5.143 -5.830 17.221
450 HG22 THR 59 HG22 THR 59 -5.246 -4.132 17.693
451 HG23 THR 59 HG23 THR 59 -6.683 -4.977 17.113
452 H ARG 60 H ARG 60 -4.814 -8.047 20.716
453 HA ARG 60 HA ARG 60 -2.421 -9.048 19.600
454 HB2 ARG 60 HB2 ARG 60 -3.641 -10.115 21.441
455 HB3 ARG 60 HB3 ARG 60 -5.009 -10.427 20.382
456 HG2 ARG 60 HG2 ARG 60 -3.721 -12.059 19.110
457 HG3 ARG 60 HG3 ARG 60 -2.254 -11.656 20.008
458 HD2 ARG 60 HD2 ARG 60 -3.317 -12.447 22.091
459 HD3 ARG 60 HD3 ARG 60 -4.775 -12.864 21.191
460 HE ARG 60 HE ARG 60 -2.850 -14.304 19.927
461 HH11 ARG 60 HH11 ARG 60 -3.765 -14.055 23.332
462 HH12 ARG 60 HH12 ARG 60 -3.285 -15.679 23.703
463 HH21 ARG 60 HH21 ARG 60 -2.264 -16.455 20.443
464 HH22 ARG 60 HH22 ARG 60 -2.438 -17.036 22.068
465 H LYS 61 H LYS 61 -5.634 -8.541 18.377
466 HA LYS 61 HA LYS 61 -6.707 -8.748 16.435
467 HB2 LYS 61 HB2 LYS 61 -4.806 -7.233 15.732
468 HB3 LYS 61 HB3 LYS 61 -3.961 -8.652 15.127
469 HG2 LYS 61 HG2 LYS 61 -5.912 -9.054 13.570
470 HG3 LYS 61 HG3 LYS 61 -6.598 -7.527 14.117
471 HD2 LYS 61 HD2 LYS 61 -5.514 -7.006 12.071
472 HD3 LYS 61 HD3 LYS 61 -4.415 -6.425 13.319
473 HE2 LYS 61 HE2 LYS 61 -4.117 -9.081 11.871
474 HE3 LYS 61 HE3 LYS 61 -3.282 -7.601 11.414
475 HZ1 LYS 61 HZ1 LYS 61 -2.226 -7.610 13.626
476 HZ2 LYS 61 HZ2 LYS 61 -1.835 -8.971 12.706
477 HZ3 LYS 61 HZ3 LYS 61 -2.957 -9.098 13.960
478 H ARG 62 H ARG 62 -7.048 -10.928 17.433
479 HA ARG 62 HA ARG 62 -5.937 -13.162 15.890
480 HB2 ARG 62 HB2 ARG 62 -5.860 -13.508 18.296
481 HB3 ARG 62 HB3 ARG 62 -7.571 -13.116 18.459
482 HG2 ARG 62 HG2 ARG 62 -8.181 -15.136 17.187
483 HG3 ARG 62 HG3 ARG 62 -6.476 -15.519 16.953
484 HD2 ARG 62 HD2 ARG 62 -6.184 -15.945 19.320
485 HD3 ARG 62 HD3 ARG 62 -7.811 -15.347 19.670
486 HE ARG 62 HE ARG 62 -8.708 -17.255 18.471
487 HH11 ARG 62 HH11 ARG 62 -5.318 -17.574 19.400
488 HH12 ARG 62 HH12 ARG 62 -5.354 -19.308 19.322
489 HH21 ARG 62 HH21 ARG 62 -8.706 -19.497 18.349
490 HH22 ARG 62 HH22 ARG 62 -7.269 -20.391 18.726
491 H LYS 63 H LYS 63 -7.048 -13.989 14.256
492 HA LYS 63 HA LYS 63 -9.984 -14.132 14.334
493 HB2 LYS 63 HB2 LYS 63 -9.395 -12.354 12.719
494 HB3 LYS 63 HB3 LYS 63 -8.285 -13.434 11.882
495 HG2 LYS 63 HG2 LYS 63 -10.427 -13.147 10.662
496 HG3 LYS 63 HG3 LYS 63 -10.141 -14.829 11.128
497 HD2 LYS 63 HD2 LYS 63 -11.648 -14.446 13.127
498 HD3 LYS 63 HD3 LYS 63 -12.022 -12.848 12.479
499 HE2 LYS 63 HE2 LYS 63 -13.010 -13.877 10.481
500 HE3 LYS 63 HE3 LYS 63 -12.570 -15.483 11.074
501 HZ1 LYS 63 HZ1 LYS 63 -14.882 -14.973 11.536
502 HZ2 LYS 63 HZ2 LYS 63 -14.436 -13.597 12.410
503 HZ3 LYS 63 HZ3 LYS 63 -14.013 -15.129 12.979
Start of MODEL 19
1 H1 SER 1 H1 SER 1 -14.079 22.560 20.802
2 H2 SER 1 H2 SER 1 -13.227 21.837 22.064
3 H3 SER 1 H3 SER 1 -14.449 22.950 22.410
4 HA SER 1 HA SER 1 -15.175 20.707 22.820
5 HB2 SER 1 HB2 SER 1 -16.852 22.380 22.072
6 HB3 SER 1 HB3 SER 1 -16.500 21.995 20.387
7 HG SER 1 HG SER 1 -17.763 20.335 20.531
8 H HIS 2 H HIS 2 -14.883 18.576 22.296
9 HA HIS 2 HA HIS 2 -14.470 17.825 19.468
10 HB2 HIS 2 HB2 HIS 2 -12.273 17.647 20.631
11 HB3 HIS 2 HB3 HIS 2 -12.990 16.581 21.837
12 HD2 HIS 2 HD2 HIS 2 -12.562 16.483 17.895
13 HE1 HIS 2 HE1 HIS 2 -12.327 12.569 19.469
14 HE2 HIS 2 HE2 HIS 2 -12.475 13.958 17.359
15 H MET 3 H MET 3 -16.702 17.467 19.442
16 HA MET 3 HA MET 3 -17.397 14.722 20.316
17 HB2 MET 3 HB2 MET 3 -19.273 17.044 19.663
18 HB3 MET 3 HB3 MET 3 -19.797 15.389 19.936
19 HG2 MET 3 HG2 MET 3 -18.891 15.531 22.254
20 HG3 MET 3 HG3 MET 3 -18.508 17.229 21.955
21 HE1 MET 3 HE1 MET 3 -22.828 15.542 21.981
22 HE2 MET 3 HE2 MET 3 -21.400 14.552 22.282
23 HE3 MET 3 HE3 MET 3 -21.696 15.207 20.670
24 H SER 4 H SER 4 -15.887 16.040 17.972
25 HA SER 4 HA SER 4 -17.531 15.160 15.680
26 HB2 SER 4 HB2 SER 4 -16.934 17.585 15.726
27 HB3 SER 4 HB3 SER 4 -15.222 17.168 15.769
28 HG SER 4 HG SER 4 -16.979 16.334 13.702
29 H ALA 5 H ALA 5 -16.920 13.151 15.064
30 HA ALA 5 HA ALA 5 -14.050 12.461 14.791
31 HB1 ALA 5 HB1 ALA 5 -16.193 10.724 16.086
32 HB2 ALA 5 HB2 ALA 5 -14.839 11.486 16.917
33 HB3 ALA 5 HB3 ALA 5 -14.537 10.207 15.739
34 H SER 6 H SER 6 -14.190 10.037 13.670
35 HA SER 6 HA SER 6 -15.429 10.395 11.105
36 HB2 SER 6 HB2 SER 6 -14.514 8.037 10.709
37 HB3 SER 6 HB3 SER 6 -13.308 9.250 11.141
38 HG SER 6 HG SER 6 -12.816 8.048 12.776
39 H ARG 7 H ARG 7 -17.620 10.539 11.466
40 HA ARG 7 HA ARG 7 -19.161 8.791 13.096
41 HB2 ARG 7 HB2 ARG 7 -19.893 11.088 12.570
42 HB3 ARG 7 HB3 ARG 7 -20.012 10.683 10.861
43 HG2 ARG 7 HG2 ARG 7 -21.838 9.088 11.379
44 HG3 ARG 7 HG3 ARG 7 -21.736 9.535 13.084
45 HD2 ARG 7 HD2 ARG 7 -22.379 11.843 12.532
46 HD3 ARG 7 HD3 ARG 7 -22.408 11.438 10.811
47 HE ARG 7 HE ARG 7 -24.157 9.664 11.930
48 HH11 ARG 7 HH11 ARG 7 -23.957 13.184 11.949
49 HH12 ARG 7 HH12 ARG 7 -25.673 13.402 12.095
50 HH21 ARG 7 HH21 ARG 7 -26.393 9.948 12.104
51 HH22 ARG 7 HH22 ARG 7 -27.068 11.545 12.186
52 H ARG 8 H ARG 8 -19.306 9.176 9.516
53 HA ARG 8 HA ARG 8 -20.247 6.387 9.263
54 HB2 ARG 8 HB2 ARG 8 -20.197 8.632 7.199
55 HB3 ARG 8 HB3 ARG 8 -20.867 7.023 6.950
56 HG2 ARG 8 HG2 ARG 8 -22.519 7.515 8.808
57 HG3 ARG 8 HG3 ARG 8 -21.907 9.172 8.820
58 HD2 ARG 8 HD2 ARG 8 -23.935 9.067 7.484
59 HD3 ARG 8 HD3 ARG 8 -22.559 9.403 6.426
60 HE ARG 8 HE ARG 8 -23.187 6.598 6.636
61 HH11 ARG 8 HH11 ARG 8 -24.072 9.535 4.900
62 HH12 ARG 8 HH12 ARG 8 -24.694 8.670 3.529
63 HH21 ARG 8 HH21 ARG 8 -24.016 5.492 4.844
64 HH22 ARG 8 HH22 ARG 8 -24.661 6.382 3.497
65 H VAL 9 H VAL 9 -18.762 4.919 8.864
66 HA VAL 9 HA VAL 9 -16.184 5.593 7.589
67 HB VAL 9 HB VAL 9 -16.951 3.039 9.107
68 HG11 VAL 9 HG11 VAL 9 -14.191 4.115 8.373
69 HG12 VAL 9 HG12 VAL 9 -15.004 2.743 7.615
70 HG13 VAL 9 HG13 VAL 9 -14.519 2.651 9.306
71 HG21 VAL 9 HG21 VAL 9 -17.146 4.975 10.624
72 HG22 VAL 9 HG22 VAL 9 -15.505 5.481 10.219
73 HG23 VAL 9 HG23 VAL 9 -15.773 3.960 11.071
74 H GLY 10 H GLY 10 -15.358 4.142 5.938
75 HA2 GLY 10 HA2 GLY 10 -17.113 2.140 4.715
76 HA3 GLY 10 HA3 GLY 10 -16.690 3.537 3.714
77 H LEU 11 H LEU 11 -15.359 2.318 2.227
78 HA LEU 11 HA LEU 11 -13.020 0.948 3.067
79 HB2 LEU 11 HB2 LEU 11 -13.689 2.351 0.459
80 HB3 LEU 11 HB3 LEU 11 -12.118 1.611 0.724
81 HG LEU 11 HG LEU 11 -14.806 0.183 0.632
82 HD11 LEU 11 HD11 LEU 11 -13.870 -0.963 -1.329
83 HD12 LEU 11 HD12 LEU 11 -12.388 -0.012 -1.190
84 HD13 LEU 11 HD13 LEU 11 -13.917 0.784 -1.569
85 HD21 LEU 11 HD21 LEU 11 -13.413 -0.862 2.368
86 HD22 LEU 11 HD22 LEU 11 -12.076 -1.021 1.227
87 HD23 LEU 11 HD23 LEU 11 -13.571 -1.922 0.967
88 H SER 12 H SER 12 -11.530 1.789 4.290
89 HA SER 12 HA SER 12 -10.472 4.513 3.791
90 HB2 SER 12 HB2 SER 12 -10.509 3.092 6.487
91 HB3 SER 12 HB3 SER 12 -10.093 4.774 6.162
92 HG SER 12 HG SER 12 -12.661 3.657 5.704
93 H CYS 13 H CYS 13 -8.177 4.663 3.923
94 HA CYS 13 HA CYS 13 -6.632 2.608 2.854
95 HB2 CYS 13 HB2 CYS 13 -6.014 5.004 2.783
96 HB3 CYS 13 HB3 CYS 13 -5.731 5.002 4.518
97 H ALA 14 H ALA 14 -5.971 0.774 3.709
98 HA ALA 14 HA ALA 14 -6.014 0.212 6.556
99 HB1 ALA 14 HB1 ALA 14 -6.733 -1.441 4.866
100 HB2 ALA 14 HB2 ALA 14 -5.405 -2.062 5.841
101 HB3 ALA 14 HB3 ALA 14 -5.093 -1.489 4.202
102 H ASN 15 H ASN 15 -4.386 2.137 6.636
103 HA ASN 15 HA ASN 15 -1.842 1.364 7.466
104 HB2 ASN 15 HB2 ASN 15 -1.317 1.089 5.053
105 HB3 ASN 15 HB3 ASN 15 -1.888 2.717 4.712
106 HD21 ASN 15 HD21 ASN 15 -0.593 4.500 5.374
107 HD22 ASN 15 HD22 ASN 15 1.066 4.315 5.791
108 H CYS 16 H CYS 16 -3.367 4.132 5.712
109 HA CYS 16 HA CYS 16 -2.545 5.968 7.904
110 HB2 CYS 16 HB2 CYS 16 -2.402 7.746 6.206
111 HB3 CYS 16 HB3 CYS 16 -1.344 6.401 5.794
112 H GLN 17 H GLN 17 -5.207 4.518 6.571
113 HA GLN 17 HA GLN 17 -7.396 4.567 7.069
114 HB2 GLN 17 HB2 GLN 17 -6.598 6.667 9.111
115 HB3 GLN 17 HB3 GLN 17 -8.172 5.880 9.056
116 HG2 GLN 17 HG2 GLN 17 -7.175 3.722 9.550
117 HG3 GLN 17 HG3 GLN 17 -5.551 4.399 9.448
118 HE21 GLN 17 HE21 GLN 17 -6.965 3.009 11.649
119 HE22 GLN 17 HE22 GLN 17 -6.857 4.068 13.012
120 H THR 18 H THR 18 -6.108 6.803 5.225
121 HA THR 18 HA THR 18 -8.054 8.908 5.237
122 HB THR 18 HB THR 18 -5.774 9.349 4.407
123 HG1 THR 18 HG1 THR 18 -6.486 10.740 2.909
124 HG21 THR 18 HG21 THR 18 -5.278 7.223 3.253
125 HG22 THR 18 HG22 THR 18 -5.051 8.595 2.169
126 HG23 THR 18 HG23 THR 18 -6.493 7.588 2.026
127 H THR 19 H THR 19 -9.854 9.177 4.050
128 HA THR 19 HA THR 19 -10.792 7.009 2.276
129 HB THR 19 HB THR 19 -13.057 8.046 2.622
130 HG1 THR 19 HG1 THR 19 -12.786 9.542 4.717
131 HG21 THR 19 HG21 THR 19 -11.660 7.404 5.253
132 HG22 THR 19 HG22 THR 19 -12.324 6.205 4.141
133 HG23 THR 19 HG23 THR 19 -13.399 7.346 4.950
134 H THR 20 H THR 20 -9.141 9.854 2.026
135 HA THR 20 HA THR 20 -10.633 11.149 -0.124
136 HB THR 20 HB THR 20 -7.902 11.975 0.981
137 HG1 THR 20 HG1 THR 20 -8.901 13.002 2.630
138 HG21 THR 20 HG21 THR 20 -8.604 14.254 0.356
139 HG22 THR 20 HG22 THR 20 -10.159 13.645 -0.213
140 HG23 THR 20 HG23 THR 20 -8.674 13.192 -1.054
141 H THR 21 H THR 21 -10.082 8.750 -1.106
142 HA THR 21 HA THR 21 -8.196 9.202 -3.263
143 HB THR 21 HB THR 21 -6.704 8.173 -1.618
144 HG1 THR 21 HG1 THR 21 -7.261 6.006 -3.344
145 HG21 THR 21 HG21 THR 21 -8.385 7.030 -0.210
146 HG22 THR 21 HG22 THR 21 -7.099 5.929 -0.695
147 HG23 THR 21 HG23 THR 21 -8.666 5.854 -1.496
148 H THR 22 H THR 22 -8.910 8.295 -5.098
149 HA THR 22 HA THR 22 -11.356 6.647 -5.091
150 HB THR 22 HB THR 22 -9.927 8.028 -7.419
151 HG1 THR 22 HG1 THR 22 -10.972 9.305 -5.533
152 HG21 THR 22 HG21 THR 22 -11.463 6.213 -8.151
153 HG22 THR 22 HG22 THR 22 -12.073 7.801 -8.616
154 HG23 THR 22 HG23 THR 22 -12.777 6.957 -7.235
155 H LEU 23 H LEU 23 -7.957 6.620 -6.008
156 HA LEU 23 HA LEU 23 -8.075 4.053 -7.378
157 HB2 LEU 23 HB2 LEU 23 -6.597 5.955 -8.141
158 HB3 LEU 23 HB3 LEU 23 -5.655 5.767 -6.674
159 HG LEU 23 HG LEU 23 -5.043 3.434 -7.414
160 HD11 LEU 23 HD11 LEU 23 -5.447 2.752 -9.741
161 HD12 LEU 23 HD12 LEU 23 -6.433 4.190 -10.005
162 HD13 LEU 23 HD13 LEU 23 -6.960 2.957 -8.859
163 HD21 LEU 23 HD21 LEU 23 -3.431 4.113 -9.160
164 HD22 LEU 23 HD22 LEU 23 -3.494 5.286 -7.850
165 HD23 LEU 23 HD23 LEU 23 -4.300 5.635 -9.380
166 H TRP 24 H TRP 24 -8.638 2.553 -5.847
167 HA TRP 24 HA TRP 24 -7.155 2.305 -3.329
168 HB2 TRP 24 HB2 TRP 24 -9.605 0.846 -4.417
169 HB3 TRP 24 HB3 TRP 24 -8.824 0.421 -2.892
170 HD1 TRP 24 HD1 TRP 24 -11.290 2.923 -4.329
171 HE1 TRP 24 HE1 TRP 24 -12.034 4.548 -2.489
172 HE3 TRP 24 HE3 TRP 24 -7.906 1.653 -0.726
173 HZ2 TRP 24 HZ2 TRP 24 -11.285 5.207 0.157
174 HZ3 TRP 24 HZ3 TRP 24 -7.972 2.833 1.423
175 HH2 TRP 24 HH2 TRP 24 -9.626 4.577 1.856
176 H ARG 25 H ARG 25 -5.652 0.831 -2.948
177 HA ARG 25 HA ARG 25 -4.984 -1.228 -4.979
178 HB2 ARG 25 HB2 ARG 25 -3.048 0.541 -3.399
179 HB3 ARG 25 HB3 ARG 25 -2.579 -0.786 -4.460
180 HG2 ARG 25 HG2 ARG 25 -3.550 0.435 -6.393
181 HG3 ARG 25 HG3 ARG 25 -3.970 1.770 -5.319
182 HD2 ARG 25 HD2 ARG 25 -1.606 2.168 -4.837
183 HD3 ARG 25 HD3 ARG 25 -1.146 0.764 -5.807
184 HE ARG 25 HE ARG 25 -2.652 2.769 -7.249
185 HH11 ARG 25 HH11 ARG 25 0.570 1.659 -6.377
186 HH12 ARG 25 HH12 ARG 25 1.348 2.497 -7.679
187 HH21 ARG 25 HH21 ARG 25 -1.602 3.904 -8.946
188 HH22 ARG 25 HH22 ARG 25 0.119 3.775 -9.135
189 H ARG 26 H ARG 26 -3.341 -2.841 -3.934
190 HA ARG 26 HA ARG 26 -4.246 -3.586 -1.202
191 HB2 ARG 26 HB2 ARG 26 -2.925 -5.342 -3.331
192 HB3 ARG 26 HB3 ARG 26 -3.516 -5.885 -1.768
193 HG2 ARG 26 HG2 ARG 26 -5.247 -4.801 -4.011
194 HG3 ARG 26 HG3 ARG 26 -5.016 -6.511 -3.639
195 HD2 ARG 26 HD2 ARG 26 -5.996 -6.073 -1.359
196 HD3 ARG 26 HD3 ARG 26 -6.347 -4.423 -1.883
197 HE ARG 26 HE ARG 26 -7.810 -5.357 -3.593
198 HH11 ARG 26 HH11 ARG 26 -7.029 -7.520 -0.926
199 HH12 ARG 26 HH12 ARG 26 -8.434 -8.505 -1.171
200 HH21 ARG 26 HH21 ARG 26 -9.598 -6.675 -3.914
201 HH22 ARG 26 HH22 ARG 26 -9.884 -8.025 -2.863
202 H ASN 27 H ASN 27 -2.734 -3.680 0.445
203 HA ASN 27 HA ASN 27 0.093 -3.254 -0.102
204 HB2 ASN 27 HB2 ASN 27 0.400 -3.430 2.345
205 HB3 ASN 27 HB3 ASN 27 -0.851 -2.269 1.933
206 HD21 ASN 27 HD21 ASN 27 -1.683 -2.389 4.040
207 HD22 ASN 27 HD22 ASN 27 -2.598 -3.744 4.591
208 H ALA 28 H ALA 28 1.432 -5.004 1.536
209 HA ALA 28 HA ALA 28 1.723 -7.292 -0.083
210 HB1 ALA 28 HB1 ALA 28 3.542 -6.378 1.294
211 HB2 ALA 28 HB2 ALA 28 3.314 -8.102 1.597
212 HB3 ALA 28 HB3 ALA 28 2.719 -6.905 2.757
213 H GLU 29 H GLU 29 -0.214 -6.811 2.829
214 HA GLU 29 HA GLU 29 -0.854 -9.663 3.121
215 HB2 GLU 29 HB2 GLU 29 -1.713 -7.226 4.741
216 HB3 GLU 29 HB3 GLU 29 -2.121 -8.894 5.141
217 HG2 GLU 29 HG2 GLU 29 0.324 -9.396 5.347
218 HG3 GLU 29 HG3 GLU 29 0.663 -7.692 5.058
219 H GLY 30 H GLY 30 -1.976 -7.169 1.216
220 HA2 GLY 30 HA2 GLY 30 -3.647 -7.306 -0.395
221 HA3 GLY 30 HA3 GLY 30 -4.308 -8.709 0.425
222 H GLU 31 H GLU 31 -3.783 -6.011 2.447
223 HA GLU 31 HA GLU 31 -6.600 -5.486 2.807
224 HB2 GLU 31 HB2 GLU 31 -4.094 -4.256 4.031
225 HB3 GLU 31 HB3 GLU 31 -5.725 -3.778 4.473
226 HG2 GLU 31 HG2 GLU 31 -4.591 -6.563 4.802
227 HG3 GLU 31 HG3 GLU 31 -4.708 -5.357 6.083
228 HA PRO 32 HA PRO 32 -6.864 -2.274 -0.279
229 HB2 PRO 32 HB2 PRO 32 -9.204 -1.045 0.451
230 HB3 PRO 32 HB3 PRO 32 -9.161 -2.676 -0.252
231 HG2 PRO 32 HG2 PRO 32 -9.437 -1.872 2.622
232 HG3 PRO 32 HG3 PRO 32 -10.292 -3.141 1.720
233 HD2 PRO 32 HD2 PRO 32 -8.167 -3.679 3.369
234 HD3 PRO 32 HD3 PRO 32 -8.568 -4.665 1.946
235 H VAL 33 H VAL 33 -5.073 -1.045 0.157
236 HA VAL 33 HA VAL 33 -5.185 1.210 2.040
237 HB VAL 33 HB VAL 33 -2.779 1.551 1.418
238 HG11 VAL 33 HG11 VAL 33 -3.414 -1.270 2.357
239 HG12 VAL 33 HG12 VAL 33 -3.325 0.174 3.370
240 HG13 VAL 33 HG13 VAL 33 -1.873 -0.431 2.571
241 HG21 VAL 33 HG21 VAL 33 -3.099 -0.981 -0.258
242 HG22 VAL 33 HG22 VAL 33 -1.572 -0.167 0.088
243 HG23 VAL 33 HG23 VAL 33 -2.797 0.648 -0.881
244 H CYS 34 H CYS 34 -4.260 3.302 1.150
245 HA CYS 34 HA CYS 34 -5.876 4.217 -1.043
246 HB2 CYS 34 HB2 CYS 34 -4.796 6.421 -0.562
247 HB3 CYS 34 HB3 CYS 34 -5.464 5.677 0.885
248 H ASN 35 H ASN 35 -4.768 5.733 -2.706
249 HA ASN 35 HA ASN 35 -2.987 4.378 -4.397
250 HB2 ASN 35 HB2 ASN 35 -4.412 6.154 -5.277
251 HB3 ASN 35 HB3 ASN 35 -3.665 7.347 -4.223
252 HD21 ASN 35 HD21 ASN 35 -1.845 4.909 -6.077
253 HD22 ASN 35 HD22 ASN 35 -1.103 6.037 -7.147
254 H ALA 36 H ALA 36 -2.396 6.959 -1.991
255 HA ALA 36 HA ALA 36 0.336 7.400 -2.488
256 HB1 ALA 36 HB1 ALA 36 0.378 8.543 -0.317
257 HB2 ALA 36 HB2 ALA 36 -1.170 7.808 0.116
258 HB3 ALA 36 HB3 ALA 36 -1.077 8.954 -1.222
259 H CYS 37 H CYS 37 -1.191 5.167 -0.175
260 HA CYS 37 HA CYS 37 1.288 4.279 1.029
261 HB2 CYS 37 HB2 CYS 37 -1.561 3.176 1.281
262 HB3 CYS 37 HB3 CYS 37 -0.192 2.708 2.304
263 H GLY 38 H GLY 38 -0.985 3.108 -1.421
264 HA2 GLY 38 HA2 GLY 38 0.159 0.487 -1.748
265 HA3 GLY 38 HA3 GLY 38 -0.986 1.277 -2.818
266 H LEU 39 H LEU 39 0.700 3.623 -3.246
267 HA LEU 39 HA LEU 39 2.302 2.776 -5.444
268 HB2 LEU 39 HB2 LEU 39 1.154 5.189 -4.630
269 HB3 LEU 39 HB3 LEU 39 2.849 5.511 -4.348
270 HG LEU 39 HG LEU 39 1.667 4.621 -7.008
271 HD11 LEU 39 HD11 LEU 39 2.511 7.399 -6.130
272 HD12 LEU 39 HD12 LEU 39 0.860 6.846 -6.427
273 HD13 LEU 39 HD13 LEU 39 2.008 6.939 -7.759
274 HD21 LEU 39 HD21 LEU 39 3.846 5.267 -7.976
275 HD22 LEU 39 HD22 LEU 39 4.015 3.960 -6.807
276 HD23 LEU 39 HD23 LEU 39 4.468 5.607 -6.358
277 H TYR 40 H TYR 40 3.013 4.122 -2.246
278 HA TYR 40 HA TYR 40 5.793 4.068 -2.202
279 HB2 TYR 40 HB2 TYR 40 4.250 5.153 -0.499
280 HB3 TYR 40 HB3 TYR 40 3.905 3.566 0.161
281 HD1 TYR 40 HD1 TYR 40 6.029 2.206 1.076
282 HD2 TYR 40 HD2 TYR 40 5.996 6.436 0.451
283 HE1 TYR 40 HE1 TYR 40 7.938 2.453 2.606
284 HE2 TYR 40 HE2 TYR 40 7.901 6.670 1.974
285 HH TYR 40 HH TYR 40 9.808 4.127 2.976
286 H MET 41 H MET 41 3.530 1.580 -0.959
287 HA MET 41 HA MET 41 5.607 -0.133 -0.031
288 HB2 MET 41 HB2 MET 41 3.315 -0.019 0.982
289 HB3 MET 41 HB3 MET 41 2.660 -0.814 -0.444
290 HG2 MET 41 HG2 MET 41 3.805 -2.842 0.051
291 HG3 MET 41 HG3 MET 41 4.821 -2.061 1.266
292 HE1 MET 41 HE1 MET 41 2.947 -4.166 3.806
293 HE2 MET 41 HE2 MET 41 4.459 -3.346 3.410
294 HE3 MET 41 HE3 MET 41 3.822 -4.595 2.334
295 H LYS 42 H LYS 42 3.744 -0.026 -3.061
296 HA LYS 42 HA LYS 42 4.659 -2.617 -3.934
297 HB2 LYS 42 HB2 LYS 42 2.500 -1.511 -4.732
298 HB3 LYS 42 HB3 LYS 42 3.491 -0.456 -5.740
299 HG2 LYS 42 HG2 LYS 42 2.692 -2.297 -7.095
300 HG3 LYS 42 HG3 LYS 42 4.432 -2.481 -6.867
301 HD2 LYS 42 HD2 LYS 42 3.808 -4.070 -4.894
302 HD3 LYS 42 HD3 LYS 42 2.186 -4.081 -5.588
303 HE2 LYS 42 HE2 LYS 42 4.743 -4.976 -6.959
304 HE3 LYS 42 HE3 LYS 42 3.463 -6.020 -6.349
305 HZ1 LYS 42 HZ1 LYS 42 3.192 -4.054 -8.550
306 HZ2 LYS 42 HZ2 LYS 42 1.966 -5.068 -7.979
307 HZ3 LYS 42 HZ3 LYS 42 3.329 -5.730 -8.731
308 H LEU 43 H LEU 43 5.739 0.729 -4.416
309 HA LEU 43 HA LEU 43 7.780 0.291 -6.316
310 HB2 LEU 43 HB2 LEU 43 7.408 2.369 -4.137
311 HB3 LEU 43 HB3 LEU 43 8.876 2.349 -5.089
312 HG LEU 43 HG LEU 43 6.068 2.794 -6.173
313 HD11 LEU 43 HD11 LEU 43 6.935 4.716 -4.913
314 HD12 LEU 43 HD12 LEU 43 6.842 5.080 -6.634
315 HD13 LEU 43 HD13 LEU 43 8.405 4.720 -5.894
316 HD21 LEU 43 HD21 LEU 43 7.410 1.588 -7.829
317 HD22 LEU 43 HD22 LEU 43 8.723 2.754 -7.657
318 HD23 LEU 43 HD23 LEU 43 7.176 3.260 -8.343
319 H HIS 44 H HIS 44 7.788 0.120 -2.774
320 HA HIS 44 HA HIS 44 10.669 -0.529 -2.755
321 HB2 HIS 44 HB2 HIS 44 8.872 0.376 -0.451
322 HB3 HIS 44 HB3 HIS 44 10.625 0.186 -0.390
323 HD1 HIS 44 HD1 HIS 44 11.744 1.706 -2.604
324 HD2 HIS 44 HD2 HIS 44 8.274 3.036 -0.745
325 HE1 HIS 44 HE1 HIS 44 11.498 4.108 -3.280
326 HE2 HIS 44 HE2 HIS 44 9.546 4.943 -1.928
327 H GLY 45 H GLY 45 7.884 -1.472 -0.699
328 HA2 GLY 45 HA2 GLY 45 7.484 -4.054 -0.935
329 HA3 GLY 45 HA3 GLY 45 9.109 -4.119 -0.253
330 H VAL 46 H VAL 46 8.845 -1.840 1.412
331 HA VAL 46 HA VAL 46 7.288 -2.915 3.645
332 HB VAL 46 HB VAL 46 8.461 -1.217 5.010
333 HG11 VAL 46 HG11 VAL 46 10.369 -2.834 3.271
334 HG12 VAL 46 HG12 VAL 46 9.537 -3.407 4.718
335 HG13 VAL 46 HG13 VAL 46 10.757 -2.141 4.850
336 HG21 VAL 46 HG21 VAL 46 8.696 0.604 3.369
337 HG22 VAL 46 HG22 VAL 46 9.844 -0.354 2.431
338 HG23 VAL 46 HG23 VAL 46 10.273 0.200 4.053
339 HA PRO 47 HA PRO 47 3.896 -0.061 3.095
340 HB2 PRO 47 HB2 PRO 47 2.936 0.278 5.622
341 HB3 PRO 47 HB3 PRO 47 2.840 -1.290 4.794
342 HG2 PRO 47 HG2 PRO 47 4.842 -0.363 6.833
343 HG3 PRO 47 HG3 PRO 47 3.963 -1.907 6.742
344 HD2 PRO 47 HD2 PRO 47 6.531 -1.636 5.862
345 HD3 PRO 47 HD3 PRO 47 5.385 -2.780 5.126
346 H ARG 48 H ARG 48 2.947 2.062 4.109
347 HA ARG 48 HA ARG 48 5.110 4.033 4.035
348 HB2 ARG 48 HB2 ARG 48 3.013 4.148 2.576
349 HB3 ARG 48 HB3 ARG 48 2.099 4.526 4.035
350 HG2 ARG 48 HG2 ARG 48 3.434 6.566 4.351
351 HG3 ARG 48 HG3 ARG 48 4.399 6.170 2.929
352 HD2 ARG 48 HD2 ARG 48 2.367 6.340 1.516
353 HD3 ARG 48 HD3 ARG 48 1.422 6.768 2.949
354 HE ARG 48 HE ARG 48 2.854 8.761 3.168
355 HH11 ARG 48 HH11 ARG 48 2.679 7.262 -0.026
356 HH12 ARG 48 HH12 ARG 48 3.100 8.731 -0.846
357 HH21 ARG 48 HH21 ARG 48 3.429 10.643 2.058
358 HH22 ARG 48 HH22 ARG 48 3.523 10.631 0.327
359 HA PRO 49 HA PRO 49 4.708 3.418 8.473
360 HB2 PRO 49 HB2 PRO 49 7.078 4.437 9.314
361 HB3 PRO 49 HB3 PRO 49 6.975 2.937 8.369
362 HG2 PRO 49 HG2 PRO 49 7.728 5.685 7.471
363 HG3 PRO 49 HG3 PRO 49 8.419 4.117 7.003
364 HD2 PRO 49 HD2 PRO 49 6.557 5.534 5.488
365 HD3 PRO 49 HD3 PRO 49 6.855 3.788 5.349
366 H LEU 50 H LEU 50 3.158 4.573 9.446
367 HA LEU 50 HA LEU 50 3.328 7.434 9.973
368 HB2 LEU 50 HB2 LEU 50 1.417 5.325 11.055
369 HB3 LEU 50 HB3 LEU 50 1.283 7.050 11.366
370 HG LEU 50 HG LEU 50 0.888 5.641 8.701
371 HD11 LEU 50 HD11 LEU 50 -1.422 6.517 8.911
372 HD12 LEU 50 HD12 LEU 50 -1.028 7.159 10.504
373 HD13 LEU 50 HD13 LEU 50 -0.998 5.417 10.221
374 HD21 LEU 50 HD21 LEU 50 0.349 7.850 7.739
375 HD22 LEU 50 HD22 LEU 50 2.025 7.781 8.277
376 HD23 LEU 50 HD23 LEU 50 0.820 8.634 9.247
377 H ALA 51 H ALA 51 4.195 4.450 11.506
378 HA ALA 51 HA ALA 51 4.159 5.236 14.227
379 HB1 ALA 51 HB1 ALA 51 5.378 3.142 14.637
380 HB2 ALA 51 HB2 ALA 51 5.699 2.973 12.910
381 HB3 ALA 51 HB3 ALA 51 4.044 2.873 13.512
382 H MET 52 H MET 52 5.256 7.162 14.486
383 HA MET 52 HA MET 52 7.938 7.684 13.656
384 HB2 MET 52 HB2 MET 52 6.268 9.000 15.853
385 HB3 MET 52 HB3 MET 52 7.788 9.635 15.230
386 HG2 MET 52 HG2 MET 52 5.257 9.265 13.612
387 HG3 MET 52 HG3 MET 52 5.818 10.792 14.287
388 HE1 MET 52 HE1 MET 52 9.106 11.416 12.204
389 HE2 MET 52 HE2 MET 52 8.964 10.658 13.790
390 HE3 MET 52 HE3 MET 52 8.006 12.089 13.408
391 H ARG 53 H ARG 53 6.606 7.165 16.954
392 HA ARG 53 HA ARG 53 8.633 5.105 17.453
393 HB2 ARG 53 HB2 ARG 53 8.098 7.368 19.439
394 HB3 ARG 53 HB3 ARG 53 9.059 5.931 19.772
395 HG2 ARG 53 HG2 ARG 53 10.614 6.691 17.892
396 HG3 ARG 53 HG3 ARG 53 9.723 8.216 17.896
397 HD2 ARG 53 HD2 ARG 53 11.683 8.522 19.246
398 HD3 ARG 53 HD3 ARG 53 10.309 8.446 20.349
399 HE ARG 53 HE ARG 53 10.937 6.099 20.794
400 HH11 ARG 53 HH11 ARG 53 13.432 8.210 19.496
401 HH12 ARG 53 HH12 ARG 53 14.729 7.256 20.136
402 HH21 ARG 53 HH21 ARG 53 12.661 4.864 21.616
403 HH22 ARG 53 HH22 ARG 53 14.297 5.377 21.330
404 H LYS 54 H LYS 54 6.826 3.676 17.124
405 HA LYS 54 HA LYS 54 4.597 3.657 18.982
406 HB2 LYS 54 HB2 LYS 54 4.882 2.517 16.543
407 HB3 LYS 54 HB3 LYS 54 5.468 1.156 17.478
408 HG2 LYS 54 HG2 LYS 54 2.711 2.430 17.639
409 HG3 LYS 54 HG3 LYS 54 3.110 0.867 16.928
410 HD2 LYS 54 HD2 LYS 54 3.704 -0.013 19.143
411 HD3 LYS 54 HD3 LYS 54 3.407 1.568 19.868
412 HE2 LYS 54 HE2 LYS 54 1.005 1.379 19.075
413 HE3 LYS 54 HE3 LYS 54 1.359 -0.290 18.617
414 HZ1 LYS 54 HZ1 LYS 54 0.361 -0.193 20.801
415 HZ2 LYS 54 HZ2 LYS 54 1.567 0.856 21.351
416 HZ3 LYS 54 HZ3 LYS 54 1.959 -0.731 20.929
417 H GLU 55 H GLU 55 7.560 1.794 18.500
418 HA GLU 55 HA GLU 55 9.129 0.938 19.812
419 HB2 GLU 55 HB2 GLU 55 8.727 3.117 21.147
420 HB3 GLU 55 HB3 GLU 55 7.804 2.130 22.271
421 HG2 GLU 55 HG2 GLU 55 9.985 2.331 23.198
422 HG3 GLU 55 HG3 GLU 55 9.873 0.693 22.561
423 H GLY 56 H GLY 56 8.790 -1.204 19.593
424 HA2 GLY 56 HA2 GLY 56 7.801 -2.734 21.808
425 HA3 GLY 56 HA3 GLY 56 6.732 -2.823 20.410
426 H ILE 57 H ILE 57 7.468 -5.156 20.886
427 HA ILE 57 HA ILE 57 10.177 -5.893 20.234
428 HB ILE 57 HB ILE 57 7.735 -7.669 20.779
429 HG12 ILE 57 HG12 ILE 57 9.059 -8.194 22.953
430 HG13 ILE 57 HG13 ILE 57 10.061 -6.802 22.569
431 HG21 ILE 57 HG21 ILE 57 9.335 -8.882 19.367
432 HG22 ILE 57 HG22 ILE 57 9.344 -9.557 20.996
433 HG23 ILE 57 HG23 ILE 57 10.651 -8.491 20.472
434 HD11 ILE 57 HD11 ILE 57 7.092 -6.753 23.113
435 HD12 ILE 57 HD12 ILE 57 8.101 -5.351 22.748
436 HD13 ILE 57 HD13 ILE 57 8.373 -6.271 24.227
437 H GLN 58 H GLN 58 10.955 -6.657 18.298
438 HA GLN 58 HA GLN 58 9.092 -6.843 16.015
439 HB2 GLN 58 HB2 GLN 58 10.968 -6.402 14.513
440 HB3 GLN 58 HB3 GLN 58 10.862 -5.146 15.725
441 HG2 GLN 58 HG2 GLN 58 12.917 -7.372 15.642
442 HG3 GLN 58 HG3 GLN 58 13.185 -5.700 15.194
443 HE21 GLN 58 HE21 GLN 58 12.854 -7.941 17.834
444 HE22 GLN 58 HE22 GLN 58 13.399 -6.869 19.076
445 H THR 59 H THR 59 8.344 -8.888 16.592
446 HA THR 59 HA THR 59 9.974 -11.068 15.493
447 HB THR 59 HB THR 59 10.249 -11.182 18.007
448 HG1 THR 59 HG1 THR 59 10.186 -13.359 17.919
449 HG21 THR 59 HG21 THR 59 7.278 -11.878 18.021
450 HG22 THR 59 HG22 THR 59 7.984 -10.411 18.702
451 HG23 THR 59 HG23 THR 59 8.373 -11.983 19.401
452 H ARG 60 H ARG 60 8.594 -13.052 15.173
453 HA ARG 60 HA ARG 60 6.945 -14.102 14.059
454 HB2 ARG 60 HB2 ARG 60 5.726 -13.537 16.221
455 HB3 ARG 60 HB3 ARG 60 5.003 -12.164 15.387
456 HG2 ARG 60 HG2 ARG 60 3.900 -13.674 13.805
457 HG3 ARG 60 HG3 ARG 60 4.678 -15.070 14.555
458 HD2 ARG 60 HD2 ARG 60 3.467 -14.655 16.636
459 HD3 ARG 60 HD3 ARG 60 2.748 -13.195 15.949
460 HE ARG 60 HE ARG 60 1.766 -14.815 14.228
461 HH11 ARG 60 HH11 ARG 60 2.224 -15.680 17.620
462 HH12 ARG 60 HH12 ARG 60 0.924 -16.827 17.604
463 HH21 ARG 60 HH21 ARG 60 0.090 -16.293 14.246
464 HH22 ARG 60 HH22 ARG 60 -0.286 -17.174 15.696
465 H LYS 61 H LYS 61 8.217 -11.592 12.993
466 HA LYS 61 HA LYS 61 6.348 -10.241 11.277
467 HB2 LYS 61 HB2 LYS 61 8.484 -9.248 12.251
468 HB3 LYS 61 HB3 LYS 61 9.403 -10.274 11.156
469 HG2 LYS 61 HG2 LYS 61 8.358 -9.144 9.225
470 HG3 LYS 61 HG3 LYS 61 7.432 -8.119 10.329
471 HD2 LYS 61 HD2 LYS 61 9.612 -7.252 11.253
472 HD3 LYS 61 HD3 LYS 61 10.458 -8.198 10.025
473 HE2 LYS 61 HE2 LYS 61 10.289 -5.905 9.279
474 HE3 LYS 61 HE3 LYS 61 9.251 -6.900 8.258
475 HZ1 LYS 61 HZ1 LYS 61 8.369 -5.200 10.531
476 HZ2 LYS 61 HZ2 LYS 61 7.356 -6.179 9.602
477 HZ3 LYS 61 HZ3 LYS 61 8.142 -4.870 8.886
478 H ARG 62 H ARG 62 5.477 -11.284 9.614
479 HA ARG 62 HA ARG 62 4.991 -12.689 7.950
480 HB2 ARG 62 HB2 ARG 62 6.940 -11.951 6.700
481 HB3 ARG 62 HB3 ARG 62 7.999 -13.011 7.625
482 HG2 ARG 62 HG2 ARG 62 7.058 -14.985 6.593
483 HG3 ARG 62 HG3 ARG 62 5.766 -14.044 5.839
484 HD2 ARG 62 HD2 ARG 62 8.729 -13.750 5.212
485 HD3 ARG 62 HD3 ARG 62 7.566 -14.657 4.239
486 HE ARG 62 HE ARG 62 6.367 -12.323 4.241
487 HH11 ARG 62 HH11 ARG 62 9.826 -12.879 3.799
488 HH12 ARG 62 HH12 ARG 62 10.026 -11.468 2.810
489 HH21 ARG 62 HH21 ARG 62 6.663 -10.504 2.954
490 HH22 ARG 62 HH22 ARG 62 8.240 -10.125 2.333
491 H LYS 63 H LYS 63 3.879 -14.214 8.905
492 HA LYS 63 HA LYS 63 5.198 -16.523 10.206
493 HB2 LYS 63 HB2 LYS 63 4.049 -15.115 11.851
494 HB3 LYS 63 HB3 LYS 63 2.583 -15.087 10.882
495 HG2 LYS 63 HG2 LYS 63 2.358 -16.546 12.836
496 HG3 LYS 63 HG3 LYS 63 2.199 -17.454 11.331
497 HD2 LYS 63 HD2 LYS 63 4.486 -18.316 11.573
498 HD3 LYS 63 HD3 LYS 63 4.726 -17.340 13.029
499 HE2 LYS 63 HE2 LYS 63 4.211 -19.731 13.518
500 HE3 LYS 63 HE3 LYS 63 3.048 -18.614 14.230
501 HZ1 LYS 63 HZ1 LYS 63 1.961 -20.527 13.232
502 HZ2 LYS 63 HZ2 LYS 63 2.644 -20.166 11.733
503 HZ3 LYS 63 HZ3 LYS 63 1.524 -19.111 12.420
Start of MODEL 20
1 H1 SER 1 H1 SER 1 -36.040 11.457 15.520
2 H2 SER 1 H2 SER 1 -36.279 9.881 14.957
3 H3 SER 1 H3 SER 1 -37.238 11.141 14.371
4 HA SER 1 HA SER 1 -35.358 12.175 13.345
5 HB2 SER 1 HB2 SER 1 -33.824 9.737 14.356
6 HB3 SER 1 HB3 SER 1 -33.172 10.988 13.292
7 HG SER 1 HG SER 1 -33.515 12.497 14.938
8 H HIS 2 H HIS 2 -35.628 11.912 11.206
9 HA HIS 2 HA HIS 2 -36.707 9.541 9.983
10 HB2 HIS 2 HB2 HIS 2 -35.526 12.091 8.767
11 HB3 HIS 2 HB3 HIS 2 -36.325 10.831 7.829
12 HD2 HIS 2 HD2 HIS 2 -37.198 13.792 10.170
13 HE1 HIS 2 HE1 HIS 2 -40.774 12.152 8.617
14 HE2 HIS 2 HE2 HIS 2 -39.723 14.165 9.747
15 H MET 3 H MET 3 -35.545 8.576 7.999
16 HA MET 3 HA MET 3 -32.603 8.450 8.408
17 HB2 MET 3 HB2 MET 3 -32.563 6.265 7.372
18 HB3 MET 3 HB3 MET 3 -33.769 6.224 8.645
19 HG2 MET 3 HG2 MET 3 -35.562 6.300 7.023
20 HG3 MET 3 HG3 MET 3 -34.415 6.545 5.702
21 HE1 MET 3 HE1 MET 3 -35.589 2.934 4.882
22 HE2 MET 3 HE2 MET 3 -35.212 4.524 4.223
23 HE3 MET 3 HE3 MET 3 -36.544 4.334 5.366
24 H SER 4 H SER 4 -31.353 9.154 6.789
25 HA SER 4 HA SER 4 -32.511 9.724 4.124
26 HB2 SER 4 HB2 SER 4 -29.917 10.702 5.427
27 HB3 SER 4 HB3 SER 4 -30.491 11.158 3.818
28 HG SER 4 HG SER 4 -32.426 11.930 4.948
29 H ALA 5 H ALA 5 -30.310 9.502 2.540
30 HA ALA 5 HA ALA 5 -29.890 6.713 2.202
31 HB1 ALA 5 HB1 ALA 5 -29.799 8.292 0.307
32 HB2 ALA 5 HB2 ALA 5 -28.302 7.364 0.420
33 HB3 ALA 5 HB3 ALA 5 -28.349 9.040 0.978
34 H SER 6 H SER 6 -27.631 9.312 3.196
35 HA SER 6 HA SER 6 -25.767 9.401 4.481
36 HB2 SER 6 HB2 SER 6 -27.420 8.594 6.195
37 HB3 SER 6 HB3 SER 6 -26.920 6.936 5.870
38 HG SER 6 HG SER 6 -24.888 7.415 6.702
39 H ARG 7 H ARG 7 -25.832 7.571 2.038
40 HA ARG 7 HA ARG 7 -24.016 5.391 2.634
41 HB2 ARG 7 HB2 ARG 7 -25.878 5.068 1.038
42 HB3 ARG 7 HB3 ARG 7 -25.234 6.330 -0.007
43 HG2 ARG 7 HG2 ARG 7 -23.205 4.933 -0.391
44 HG3 ARG 7 HG3 ARG 7 -23.909 3.671 0.621
45 HD2 ARG 7 HD2 ARG 7 -25.703 3.302 -0.960
46 HD3 ARG 7 HD3 ARG 7 -25.233 4.711 -1.918
47 HE ARG 7 HE ARG 7 -23.908 2.098 -1.819
48 HH11 ARG 7 HH11 ARG 7 -23.860 5.386 -3.069
49 HH12 ARG 7 HH12 ARG 7 -22.732 5.016 -4.333
50 HH21 ARG 7 HH21 ARG 7 -22.399 1.648 -3.481
51 HH22 ARG 7 HH22 ARG 7 -21.914 2.911 -4.563
52 H ARG 8 H ARG 8 -22.092 6.248 3.223
53 HA ARG 8 HA ARG 8 -20.286 7.020 1.132
54 HB2 ARG 8 HB2 ARG 8 -21.310 9.239 1.775
55 HB3 ARG 8 HB3 ARG 8 -20.729 9.008 3.421
56 HG2 ARG 8 HG2 ARG 8 -18.411 9.079 2.656
57 HG3 ARG 8 HG3 ARG 8 -18.929 9.179 0.972
58 HD2 ARG 8 HD2 ARG 8 -20.001 11.385 1.478
59 HD3 ARG 8 HD3 ARG 8 -19.390 11.271 3.130
60 HE ARG 8 HE ARG 8 -17.255 11.728 2.382
61 HH11 ARG 8 HH11 ARG 8 -19.384 11.357 -0.372
62 HH12 ARG 8 HH12 ARG 8 -18.246 12.035 -1.493
63 HH21 ARG 8 HH21 ARG 8 -15.764 12.593 0.910
64 HH22 ARG 8 HH22 ARG 8 -16.196 12.734 -0.761
65 H VAL 9 H VAL 9 -18.076 6.831 1.823
66 HA VAL 9 HA VAL 9 -16.335 5.828 2.809
67 HB VAL 9 HB VAL 9 -17.800 6.260 5.460
68 HG11 VAL 9 HG11 VAL 9 -16.010 4.604 5.707
69 HG12 VAL 9 HG12 VAL 9 -15.564 6.106 6.518
70 HG13 VAL 9 HG13 VAL 9 -14.850 5.701 4.955
71 HG21 VAL 9 HG21 VAL 9 -17.492 8.386 4.252
72 HG22 VAL 9 HG22 VAL 9 -15.765 8.064 4.076
73 HG23 VAL 9 HG23 VAL 9 -16.456 8.331 5.680
74 H GLY 10 H GLY 10 -16.730 3.901 1.745
75 HA2 GLY 10 HA2 GLY 10 -18.058 1.695 3.204
76 HA3 GLY 10 HA3 GLY 10 -17.589 1.684 1.507
77 H LEU 11 H LEU 11 -14.952 2.865 2.145
78 HA LEU 11 HA LEU 11 -13.541 0.630 3.481
79 HB2 LEU 11 HB2 LEU 11 -12.759 2.031 0.884
80 HB3 LEU 11 HB3 LEU 11 -11.712 0.922 1.756
81 HG LEU 11 HG LEU 11 -14.348 0.201 0.410
82 HD11 LEU 11 HD11 LEU 11 -12.944 -1.109 -1.148
83 HD12 LEU 11 HD12 LEU 11 -11.491 -0.471 -0.375
84 HD13 LEU 11 HD13 LEU 11 -12.590 0.617 -1.223
85 HD21 LEU 11 HD21 LEU 11 -13.789 -2.144 0.956
86 HD22 LEU 11 HD22 LEU 11 -14.041 -1.171 2.402
87 HD23 LEU 11 HD23 LEU 11 -12.403 -1.592 1.901
88 H SER 12 H SER 12 -11.410 1.219 4.251
89 HA SER 12 HA SER 12 -10.598 4.033 4.299
90 HB2 SER 12 HB2 SER 12 -10.781 2.340 6.849
91 HB3 SER 12 HB3 SER 12 -10.117 3.968 6.737
92 HG SER 12 HG SER 12 -12.557 4.061 5.726
93 H CYS 13 H CYS 13 -8.425 4.195 4.054
94 HA CYS 13 HA CYS 13 -6.802 2.165 3.119
95 HB2 CYS 13 HB2 CYS 13 -6.249 4.552 2.836
96 HB3 CYS 13 HB3 CYS 13 -5.955 4.710 4.562
97 H ALA 14 H ALA 14 -5.927 0.446 4.066
98 HA ALA 14 HA ALA 14 -5.866 0.074 6.952
99 HB1 ALA 14 HB1 ALA 14 -5.188 -2.229 6.416
100 HB2 ALA 14 HB2 ALA 14 -4.975 -1.797 4.720
101 HB3 ALA 14 HB3 ALA 14 -6.585 -1.755 5.441
102 H ASN 15 H ASN 15 -4.259 2.120 6.510
103 HA ASN 15 HA ASN 15 -1.740 1.363 7.574
104 HB2 ASN 15 HB2 ASN 15 -1.243 1.031 5.115
105 HB3 ASN 15 HB3 ASN 15 -1.660 2.716 4.811
106 HD21 ASN 15 HD21 ASN 15 -0.210 4.350 5.577
107 HD22 ASN 15 HD22 ASN 15 1.401 3.985 6.082
108 H CYS 16 H CYS 16 -3.184 4.074 5.683
109 HA CYS 16 HA CYS 16 -2.378 5.991 7.799
110 HB2 CYS 16 HB2 CYS 16 -2.518 7.712 6.001
111 HB3 CYS 16 HB3 CYS 16 -1.381 6.424 5.620
112 H GLN 17 H GLN 17 -5.127 4.440 6.708
113 HA GLN 17 HA GLN 17 -7.268 4.486 7.364
114 HB2 GLN 17 HB2 GLN 17 -6.166 6.415 9.437
115 HB3 GLN 17 HB3 GLN 17 -7.836 5.853 9.458
116 HG2 GLN 17 HG2 GLN 17 -7.115 3.545 9.754
117 HG3 GLN 17 HG3 GLN 17 -5.424 4.012 9.589
118 HE21 GLN 17 HE21 GLN 17 -8.258 4.231 11.653
119 HE22 GLN 17 HE22 GLN 17 -7.409 4.610 13.108
120 H THR 18 H THR 18 -6.218 6.661 5.399
121 HA THR 18 HA THR 18 -8.188 8.731 5.536
122 HB THR 18 HB THR 18 -6.199 9.205 4.246
123 HG1 THR 18 HG1 THR 18 -7.525 10.421 3.148
124 HG21 THR 18 HG21 THR 18 -5.625 6.962 3.405
125 HG22 THR 18 HG22 THR 18 -5.682 8.135 2.087
126 HG23 THR 18 HG23 THR 18 -7.013 6.998 2.319
127 H THR 19 H THR 19 -10.241 8.724 4.904
128 HA THR 19 HA THR 19 -11.472 6.190 4.105
129 HB THR 19 HB THR 19 -13.611 7.384 4.743
130 HG1 THR 19 HG1 THR 19 -12.066 9.452 5.888
131 HG21 THR 19 HG21 THR 19 -12.401 6.051 6.452
132 HG22 THR 19 HG22 THR 19 -13.177 7.464 7.175
133 HG23 THR 19 HG23 THR 19 -11.437 7.469 6.875
134 H THR 20 H THR 20 -10.214 8.717 2.397
135 HA THR 20 HA THR 20 -12.093 8.407 0.171
136 HB THR 20 HB THR 20 -13.014 10.358 1.223
137 HG1 THR 20 HG1 THR 20 -11.551 11.767 -0.661
138 HG21 THR 20 HG21 THR 20 -10.240 11.606 1.305
139 HG22 THR 20 HG22 THR 20 -11.159 11.031 2.698
140 HG23 THR 20 HG23 THR 20 -11.744 12.407 1.762
141 H THR 21 H THR 21 -10.630 7.393 -1.104
142 HA THR 21 HA THR 21 -8.691 9.170 -2.419
143 HB THR 21 HB THR 21 -7.284 7.672 -1.009
144 HG1 THR 21 HG1 THR 21 -6.236 8.099 -2.857
145 HG21 THR 21 HG21 THR 21 -8.778 5.718 -0.806
146 HG22 THR 21 HG22 THR 21 -7.200 5.244 -1.429
147 HG23 THR 21 HG23 THR 21 -8.569 5.371 -2.527
148 H THR 22 H THR 22 -8.559 8.743 -4.671
149 HA THR 22 HA THR 22 -11.011 7.701 -5.803
150 HB THR 22 HB THR 22 -10.056 8.590 -7.965
151 HG1 THR 22 HG1 THR 22 -7.891 8.540 -7.787
152 HG21 THR 22 HG21 THR 22 -10.007 10.578 -5.651
153 HG22 THR 22 HG22 THR 22 -11.449 10.062 -6.532
154 HG23 THR 22 HG23 THR 22 -10.189 10.980 -7.358
155 H LEU 23 H LEU 23 -8.092 6.234 -5.010
156 HA LEU 23 HA LEU 23 -8.703 3.949 -6.742
157 HB2 LEU 23 HB2 LEU 23 -6.925 5.271 -7.916
158 HB3 LEU 23 HB3 LEU 23 -5.900 5.124 -6.498
159 HG LEU 23 HG LEU 23 -5.835 2.648 -6.808
160 HD11 LEU 23 HD11 LEU 23 -6.643 1.628 -8.900
161 HD12 LEU 23 HD12 LEU 23 -7.414 3.150 -9.350
162 HD13 LEU 23 HD13 LEU 23 -7.964 2.268 -7.921
163 HD21 LEU 23 HD21 LEU 23 -4.031 4.011 -7.745
164 HD22 LEU 23 HD22 LEU 23 -4.933 4.223 -9.247
165 HD23 LEU 23 HD23 LEU 23 -4.358 2.621 -8.781
166 H TRP 24 H TRP 24 -9.292 2.611 -5.177
167 HA TRP 24 HA TRP 24 -7.759 2.220 -2.728
168 HB2 TRP 24 HB2 TRP 24 -10.276 0.861 -3.797
169 HB3 TRP 24 HB3 TRP 24 -9.519 0.461 -2.256
170 HD1 TRP 24 HD1 TRP 24 -12.016 2.848 -3.735
171 HE1 TRP 24 HE1 TRP 24 -12.736 4.558 -1.950
172 HE3 TRP 24 HE3 TRP 24 -8.445 1.888 -0.199
173 HZ2 TRP 24 HZ2 TRP 24 -11.889 5.391 0.635
174 HZ3 TRP 24 HZ3 TRP 24 -8.461 3.192 1.879
175 HH2 TRP 24 HH2 TRP 24 -10.149 4.908 2.285
176 H ARG 25 H ARG 25 -5.864 1.294 -3.114
177 HA ARG 25 HA ARG 25 -5.498 -0.990 -4.908
178 HB2 ARG 25 HB2 ARG 25 -3.470 0.419 -3.099
179 HB3 ARG 25 HB3 ARG 25 -3.103 -0.739 -4.378
180 HG2 ARG 25 HG2 ARG 25 -4.028 0.864 -6.052
181 HG3 ARG 25 HG3 ARG 25 -4.293 2.025 -4.747
182 HD2 ARG 25 HD2 ARG 25 -2.243 2.578 -5.900
183 HD3 ARG 25 HD3 ARG 25 -1.852 2.008 -4.278
184 HE ARG 25 HE ARG 25 -1.278 -0.170 -5.325
185 HH11 ARG 25 HH11 ARG 25 -1.231 2.715 -7.330
186 HH12 ARG 25 HH12 ARG 25 -0.088 2.055 -8.458
187 HH21 ARG 25 HH21 ARG 25 0.221 -1.026 -6.789
188 HH22 ARG 25 HH22 ARG 25 0.735 -0.074 -8.147
189 H ARG 26 H ARG 26 -3.837 -2.712 -3.764
190 HA ARG 26 HA ARG 26 -5.000 -3.551 -1.153
191 HB2 ARG 26 HB2 ARG 26 -4.088 -5.537 -3.293
192 HB3 ARG 26 HB3 ARG 26 -4.999 -5.873 -1.828
193 HG2 ARG 26 HG2 ARG 26 -6.030 -4.399 -4.271
194 HG3 ARG 26 HG3 ARG 26 -6.402 -6.064 -3.833
195 HD2 ARG 26 HD2 ARG 26 -7.117 -3.683 -2.088
196 HD3 ARG 26 HD3 ARG 26 -8.199 -4.361 -3.305
197 HE ARG 26 HE ARG 26 -7.247 -6.312 -1.408
198 HH11 ARG 26 HH11 ARG 26 -9.732 -3.879 -1.968
199 HH12 ARG 26 HH12 ARG 26 -10.861 -4.602 -0.871
200 HH21 ARG 26 HH21 ARG 26 -8.768 -7.275 -0.002
201 HH22 ARG 26 HH22 ARG 26 -10.314 -6.528 0.244
202 H ASN 27 H ASN 27 -3.522 -3.971 0.419
203 HA ASN 27 HA ASN 27 -0.679 -3.634 -0.131
204 HB2 ASN 27 HB2 ASN 27 -0.415 -3.590 2.341
205 HB3 ASN 27 HB3 ASN 27 -1.644 -2.455 1.804
206 HD21 ASN 27 HD21 ASN 27 -2.522 -2.393 3.904
207 HD22 ASN 27 HD22 ASN 27 -3.469 -3.688 4.537
208 H ALA 28 H ALA 28 0.519 -5.192 1.785
209 HA ALA 28 HA ALA 28 0.978 -7.625 0.476
210 HB1 ALA 28 HB1 ALA 28 1.701 -6.877 3.330
211 HB2 ALA 28 HB2 ALA 28 2.647 -6.504 1.891
212 HB3 ALA 28 HB3 ALA 28 2.427 -8.184 2.373
213 H GLU 29 H GLU 29 -1.209 -6.874 3.117
214 HA GLU 29 HA GLU 29 -1.814 -9.649 3.786
215 HB2 GLU 29 HB2 GLU 29 -3.015 -7.013 4.752
216 HB3 GLU 29 HB3 GLU 29 -3.437 -8.600 5.400
217 HG2 GLU 29 HG2 GLU 29 -1.220 -8.916 6.295
218 HG3 GLU 29 HG3 GLU 29 -0.616 -7.499 5.440
219 H GLY 30 H GLY 30 -2.875 -7.379 1.471
220 HA2 GLY 30 HA2 GLY 30 -4.424 -7.712 -0.259
221 HA3 GLY 30 HA3 GLY 30 -5.132 -9.053 0.632
222 H GLU 31 H GLU 31 -4.527 -6.037 2.193
223 HA GLU 31 HA GLU 31 -7.386 -5.531 2.627
224 HB2 GLU 31 HB2 GLU 31 -4.904 -4.338 3.952
225 HB3 GLU 31 HB3 GLU 31 -6.564 -3.976 4.410
226 HG2 GLU 31 HG2 GLU 31 -5.314 -6.730 4.570
227 HG3 GLU 31 HG3 GLU 31 -5.409 -5.598 5.918
228 HA PRO 32 HA PRO 32 -7.415 -2.068 -0.204
229 HB2 PRO 32 HB2 PRO 32 -9.481 -0.556 0.784
230 HB3 PRO 32 HB3 PRO 32 -9.735 -2.116 -0.026
231 HG2 PRO 32 HG2 PRO 32 -9.648 -1.523 2.916
232 HG3 PRO 32 HG3 PRO 32 -10.806 -2.519 2.001
233 HD2 PRO 32 HD2 PRO 32 -8.749 -3.627 3.382
234 HD3 PRO 32 HD3 PRO 32 -9.356 -4.333 1.869
235 H VAL 33 H VAL 33 -5.651 -0.788 -0.103
236 HA VAL 33 HA VAL 33 -5.415 1.299 1.991
237 HB VAL 33 HB VAL 33 -2.982 1.465 1.273
238 HG11 VAL 33 HG11 VAL 33 -2.227 -0.492 2.560
239 HG12 VAL 33 HG12 VAL 33 -3.829 -1.224 2.414
240 HG13 VAL 33 HG13 VAL 33 -3.618 0.276 3.323
241 HG21 VAL 33 HG21 VAL 33 -3.550 -1.121 -0.246
242 HG22 VAL 33 HG22 VAL 33 -1.954 -0.409 0.015
243 HG23 VAL 33 HG23 VAL 33 -3.146 0.445 -0.963
244 H CYS 34 H CYS 34 -4.398 3.363 1.132
245 HA CYS 34 HA CYS 34 -5.821 4.333 -1.179
246 HB2 CYS 34 HB2 CYS 34 -4.688 6.491 -0.662
247 HB3 CYS 34 HB3 CYS 34 -5.414 5.784 0.790
248 H ASN 35 H ASN 35 -4.590 5.658 -2.828
249 HA ASN 35 HA ASN 35 -2.992 4.022 -4.413
250 HB2 ASN 35 HB2 ASN 35 -4.329 5.951 -5.318
251 HB3 ASN 35 HB3 ASN 35 -3.151 7.064 -4.623
252 HD21 ASN 35 HD21 ASN 35 -2.559 7.917 -6.558
253 HD22 ASN 35 HD22 ASN 35 -1.675 7.066 -7.770
254 H ALA 36 H ALA 36 -2.038 6.639 -2.231
255 HA ALA 36 HA ALA 36 0.714 6.807 -2.830
256 HB1 ALA 36 HB1 ALA 36 0.895 8.016 -0.690
257 HB2 ALA 36 HB2 ALA 36 -0.713 7.445 -0.227
258 HB3 ALA 36 HB3 ALA 36 -0.523 8.543 -1.595
259 H CYS 37 H CYS 37 -1.038 4.886 -0.363
260 HA CYS 37 HA CYS 37 1.293 3.867 0.941
261 HB2 CYS 37 HB2 CYS 37 -1.565 2.822 0.953
262 HB3 CYS 37 HB3 CYS 37 -0.288 2.200 1.984
263 H GLY 38 H GLY 38 -0.730 2.669 -1.712
264 HA2 GLY 38 HA2 GLY 38 0.456 0.087 -1.958
265 HA3 GLY 38 HA3 GLY 38 -0.506 0.913 -3.169
266 H LEU 39 H LEU 39 1.064 3.189 -3.605
267 HA LEU 39 HA LEU 39 3.024 2.317 -5.461
268 HB2 LEU 39 HB2 LEU 39 2.434 5.059 -4.289
269 HB3 LEU 39 HB3 LEU 39 3.680 4.812 -5.504
270 HG LEU 39 HG LEU 39 0.716 4.219 -5.919
271 HD11 LEU 39 HD11 LEU 39 0.684 6.202 -7.366
272 HD12 LEU 39 HD12 LEU 39 2.367 6.549 -6.962
273 HD13 LEU 39 HD13 LEU 39 1.123 6.634 -5.713
274 HD21 LEU 39 HD21 LEU 39 1.318 3.934 -8.298
275 HD22 LEU 39 HD22 LEU 39 2.140 2.753 -7.281
276 HD23 LEU 39 HD23 LEU 39 3.025 4.150 -7.903
277 H TYR 40 H TYR 40 3.228 3.406 -2.138
278 HA TYR 40 HA TYR 40 6.059 3.733 -1.975
279 HB2 TYR 40 HB2 TYR 40 4.240 4.651 -0.345
280 HB3 TYR 40 HB3 TYR 40 4.272 3.064 0.410
281 HD1 TYR 40 HD1 TYR 40 6.473 2.269 1.488
282 HD2 TYR 40 HD2 TYR 40 5.949 6.303 0.179
283 HE1 TYR 40 HE1 TYR 40 8.340 2.975 2.913
284 HE2 TYR 40 HE2 TYR 40 7.820 7.001 1.600
285 HH TYR 40 HH TYR 40 9.915 4.783 3.140
286 H MET 41 H MET 41 3.890 0.967 -1.464
287 HA MET 41 HA MET 41 5.904 -0.861 -0.526
288 HB2 MET 41 HB2 MET 41 3.218 -1.504 -1.832
289 HB3 MET 41 HB3 MET 41 4.248 -2.654 -0.989
290 HG2 MET 41 HG2 MET 41 3.942 -0.989 1.035
291 HG3 MET 41 HG3 MET 41 2.513 -0.492 0.130
292 HE1 MET 41 HE1 MET 41 4.280 -3.293 2.174
293 HE2 MET 41 HE2 MET 41 4.252 -4.066 0.585
294 HE3 MET 41 HE3 MET 41 3.251 -4.701 1.890
295 H LYS 42 H LYS 42 4.720 0.105 -3.682
296 HA LYS 42 HA LYS 42 5.862 -2.045 -5.192
297 HB2 LYS 42 HB2 LYS 42 3.927 -0.288 -5.760
298 HB3 LYS 42 HB3 LYS 42 5.241 0.668 -6.420
299 HG2 LYS 42 HG2 LYS 42 4.522 -2.156 -7.284
300 HG3 LYS 42 HG3 LYS 42 3.993 -0.694 -8.105
301 HD2 LYS 42 HD2 LYS 42 6.880 -1.599 -7.807
302 HD3 LYS 42 HD3 LYS 42 5.884 -1.810 -9.247
303 HE2 LYS 42 HE2 LYS 42 5.708 0.631 -9.504
304 HE3 LYS 42 HE3 LYS 42 6.668 0.867 -8.040
305 HZ1 LYS 42 HZ1 LYS 42 7.996 1.103 -10.061
306 HZ2 LYS 42 HZ2 LYS 42 7.624 -0.480 -10.513
307 HZ3 LYS 42 HZ3 LYS 42 8.539 -0.194 -9.125
308 H LEU 43 H LEU 43 6.898 1.235 -4.357
309 HA LEU 43 HA LEU 43 9.326 1.194 -5.926
310 HB2 LEU 43 HB2 LEU 43 8.183 3.153 -3.898
311 HB3 LEU 43 HB3 LEU 43 9.681 3.439 -4.760
312 HG LEU 43 HG LEU 43 6.959 3.120 -6.085
313 HD11 LEU 43 HD11 LEU 43 7.057 5.552 -6.483
314 HD12 LEU 43 HD12 LEU 43 8.550 5.654 -5.547
315 HD13 LEU 43 HD13 LEU 43 7.043 5.176 -4.760
316 HD21 LEU 43 HD21 LEU 43 9.646 3.912 -7.287
317 HD22 LEU 43 HD22 LEU 43 8.098 3.918 -8.141
318 HD23 LEU 43 HD23 LEU 43 8.781 2.397 -7.570
319 H HIS 44 H HIS 44 8.548 1.210 -2.440
320 HA HIS 44 HA HIS 44 11.422 0.934 -1.766
321 HB2 HIS 44 HB2 HIS 44 9.156 2.046 -0.043
322 HB3 HIS 44 HB3 HIS 44 10.873 2.048 0.357
323 HD1 HIS 44 HD1 HIS 44 12.323 3.302 -1.737
324 HD2 HIS 44 HD2 HIS 44 8.417 4.502 -0.988
325 HE1 HIS 44 HE1 HIS 44 12.083 5.535 -2.853
326 HE2 HIS 44 HE2 HIS 44 9.797 6.332 -2.176
327 H GLY 45 H GLY 45 8.708 -0.965 -1.944
328 HA2 GLY 45 HA2 GLY 45 8.656 -3.239 -1.465
329 HA3 GLY 45 HA3 GLY 45 9.982 -3.043 -0.331
330 H VAL 46 H VAL 46 9.103 -1.249 1.441
331 HA VAL 46 HA VAL 46 7.064 -2.695 2.947
332 HB VAL 46 HB VAL 46 7.753 -1.270 4.836
333 HG11 VAL 46 HG11 VAL 46 10.090 -2.062 5.093
334 HG12 VAL 46 HG12 VAL 46 10.157 -2.430 3.369
335 HG13 VAL 46 HG13 VAL 46 9.048 -3.317 4.415
336 HG21 VAL 46 HG21 VAL 46 8.208 0.853 3.645
337 HG22 VAL 46 HG22 VAL 46 9.636 0.144 2.889
338 HG23 VAL 46 HG23 VAL 46 9.598 0.395 4.634
339 HA PRO 47 HA PRO 47 3.903 0.619 2.426
340 HB2 PRO 47 HB2 PRO 47 2.557 0.523 4.795
341 HB3 PRO 47 HB3 PRO 47 2.422 -0.781 3.596
342 HG2 PRO 47 HG2 PRO 47 4.138 -0.670 6.058
343 HG3 PRO 47 HG3 PRO 47 3.088 -1.985 5.478
344 HD2 PRO 47 HD2 PRO 47 5.774 -1.985 5.040
345 HD3 PRO 47 HD3 PRO 47 4.634 -2.700 3.883
346 H ARG 48 H ARG 48 3.181 2.700 3.633
347 HA ARG 48 HA ARG 48 5.595 4.191 4.062
348 HB2 ARG 48 HB2 ARG 48 3.407 5.015 2.842
349 HB3 ARG 48 HB3 ARG 48 2.833 5.423 4.459
350 HG2 ARG 48 HG2 ARG 48 4.885 6.828 4.767
351 HG3 ARG 48 HG3 ARG 48 5.340 6.458 3.107
352 HD2 ARG 48 HD2 ARG 48 4.314 8.537 2.882
353 HD3 ARG 48 HD3 ARG 48 2.997 7.434 2.494
354 HE ARG 48 HE ARG 48 2.238 7.757 4.853
355 HH11 ARG 48 HH11 ARG 48 4.174 10.257 3.318
356 HH12 ARG 48 HH12 ARG 48 3.544 11.525 4.319
357 HH21 ARG 48 HH21 ARG 48 1.437 9.453 6.178
358 HH22 ARG 48 HH22 ARG 48 2.008 11.069 5.926
359 HA PRO 49 HA PRO 49 5.441 3.352 8.547
360 HB2 PRO 49 HB2 PRO 49 7.962 4.969 8.680
361 HB3 PRO 49 HB3 PRO 49 7.701 3.261 9.095
362 HG2 PRO 49 HG2 PRO 49 9.096 3.943 6.922
363 HG3 PRO 49 HG3 PRO 49 8.012 2.530 6.909
364 HD2 PRO 49 HD2 PRO 49 7.477 5.317 5.844
365 HD3 PRO 49 HD3 PRO 49 7.203 3.739 5.062
366 H LEU 50 H LEU 50 4.189 4.482 9.927
367 HA LEU 50 HA LEU 50 4.049 7.456 9.733
368 HB2 LEU 50 HB2 LEU 50 1.860 5.555 10.660
369 HB3 LEU 50 HB3 LEU 50 1.704 7.281 10.367
370 HG LEU 50 HG LEU 50 2.146 5.132 8.257
371 HD11 LEU 50 HD11 LEU 50 -0.125 5.666 7.533
372 HD12 LEU 50 HD12 LEU 50 -0.291 6.825 8.853
373 HD13 LEU 50 HD13 LEU 50 -0.095 5.107 9.205
374 HD21 LEU 50 HD21 LEU 50 1.804 8.127 7.836
375 HD22 LEU 50 HD22 LEU 50 1.832 6.903 6.563
376 HD23 LEU 50 HD23 LEU 50 3.270 7.191 7.538
377 H ALA 51 H ALA 51 4.804 4.869 11.810
378 HA ALA 51 HA ALA 51 4.968 4.442 14.009
379 HB1 ALA 51 HB1 ALA 51 5.057 7.464 14.391
380 HB2 ALA 51 HB2 ALA 51 6.458 6.432 14.099
381 HB3 ALA 51 HB3 ALA 51 5.533 6.257 15.591
382 H MET 52 H MET 52 3.117 7.427 14.481
383 HA MET 52 HA MET 52 1.063 8.003 15.154
384 HB2 MET 52 HB2 MET 52 0.576 7.084 12.876
385 HB3 MET 52 HB3 MET 52 0.155 5.540 13.606
386 HG2 MET 52 HG2 MET 52 -1.747 6.555 14.747
387 HG3 MET 52 HG3 MET 52 -1.276 8.153 14.161
388 HE1 MET 52 HE1 MET 52 -4.550 7.561 12.130
389 HE2 MET 52 HE2 MET 52 -3.641 8.685 13.137
390 HE3 MET 52 HE3 MET 52 -4.217 7.163 13.818
391 H ARG 53 H ARG 53 0.577 4.467 15.316
392 HA ARG 53 HA ARG 53 -0.704 4.595 17.915
393 HB2 ARG 53 HB2 ARG 53 -0.862 2.052 17.607
394 HB3 ARG 53 HB3 ARG 53 -1.697 3.035 16.424
395 HG2 ARG 53 HG2 ARG 53 -0.702 1.168 15.286
396 HG3 ARG 53 HG3 ARG 53 0.161 2.623 14.804
397 HD2 ARG 53 HD2 ARG 53 2.062 2.025 16.200
398 HD3 ARG 53 HD3 ARG 53 1.186 0.675 16.913
399 HE ARG 53 HE ARG 53 1.191 -0.059 14.372
400 HH11 ARG 53 HH11 ARG 53 3.881 1.285 16.219
401 HH12 ARG 53 HH12 ARG 53 5.081 0.436 15.305
402 HH21 ARG 53 HH21 ARG 53 2.744 -1.208 13.275
403 HH22 ARG 53 HH22 ARG 53 4.427 -0.986 13.629
404 H LYS 54 H LYS 54 1.847 5.550 18.269
405 HA LYS 54 HA LYS 54 4.115 4.106 18.135
406 HB2 LYS 54 HB2 LYS 54 3.455 6.273 20.174
407 HB3 LYS 54 HB3 LYS 54 5.090 5.735 19.796
408 HG2 LYS 54 HG2 LYS 54 4.868 6.556 17.495
409 HG3 LYS 54 HG3 LYS 54 3.184 7.009 17.796
410 HD2 LYS 54 HD2 LYS 54 3.897 8.683 19.458
411 HD3 LYS 54 HD3 LYS 54 5.585 8.190 19.261
412 HE2 LYS 54 HE2 LYS 54 5.542 8.941 16.918
413 HE3 LYS 54 HE3 LYS 54 3.848 9.410 17.087
414 HZ1 LYS 54 HZ1 LYS 54 6.114 10.568 18.613
415 HZ2 LYS 54 HZ2 LYS 54 4.497 11.040 18.740
416 HZ3 LYS 54 HZ3 LYS 54 5.340 11.297 17.303
417 H GLU 55 H GLU 55 3.552 1.945 18.804
418 HA GLU 55 HA GLU 55 3.733 0.100 20.095
419 HB2 GLU 55 HB2 GLU 55 5.690 1.892 21.575
420 HB3 GLU 55 HB3 GLU 55 5.622 0.138 21.728
421 HG2 GLU 55 HG2 GLU 55 6.196 -0.114 19.354
422 HG3 GLU 55 HG3 GLU 55 6.213 1.638 19.157
423 H GLY 56 H GLY 56 1.573 1.900 20.855
424 HA2 GLY 56 HA2 GLY 56 1.196 1.526 23.737
425 HA3 GLY 56 HA3 GLY 56 0.074 2.269 22.600
426 H ILE 57 H ILE 57 -0.986 0.541 24.418
427 HA ILE 57 HA ILE 57 -1.141 -2.148 23.448
428 HB ILE 57 HB ILE 57 -3.021 -2.469 25.046
429 HG12 ILE 57 HG12 ILE 57 -2.664 0.490 25.733
430 HG13 ILE 57 HG13 ILE 57 -4.063 -0.206 24.930
431 HG21 ILE 57 HG21 ILE 57 -1.695 -2.161 27.108
432 HG22 ILE 57 HG22 ILE 57 -0.598 -1.078 26.249
433 HG23 ILE 57 HG23 ILE 57 -0.702 -2.780 25.788
434 HD11 ILE 57 HD11 ILE 57 -3.171 -0.751 27.761
435 HD12 ILE 57 HD12 ILE 57 -4.542 -1.523 26.959
436 HD13 ILE 57 HD13 ILE 57 -4.556 0.215 27.247
437 H GLN 58 H GLN 58 -2.534 -3.074 22.087
438 HA GLN 58 HA GLN 58 -4.293 -1.306 20.474
439 HB2 GLN 58 HB2 GLN 58 -2.578 -3.697 19.630
440 HB3 GLN 58 HB3 GLN 58 -3.625 -2.776 18.549
441 HG2 GLN 58 HG2 GLN 58 -2.252 -0.855 18.646
442 HG3 GLN 58 HG3 GLN 58 -1.453 -1.383 20.123
443 HE21 GLN 58 HE21 GLN 58 0.593 -1.105 19.325
444 HE22 GLN 58 HE22 GLN 58 1.282 -2.103 18.094
445 H THR 59 H THR 59 -6.349 -1.993 20.113
446 HA THR 59 HA THR 59 -7.466 -3.802 22.003
447 HB THR 59 HB THR 59 -9.657 -3.214 20.801
448 HG1 THR 59 HG1 THR 59 -9.494 -2.285 18.915
449 HG21 THR 59 HG21 THR 59 -7.921 -0.875 21.688
450 HG22 THR 59 HG22 THR 59 -8.893 -1.898 22.748
451 HG23 THR 59 HG23 THR 59 -9.685 -0.866 21.558
452 H ARG 60 H ARG 60 -8.307 -5.787 21.786
453 HA ARG 60 HA ARG 60 -7.791 -7.525 19.577
454 HB2 ARG 60 HB2 ARG 60 -9.561 -7.805 22.053
455 HB3 ARG 60 HB3 ARG 60 -9.321 -9.112 20.898
456 HG2 ARG 60 HG2 ARG 60 -7.090 -7.788 22.475
457 HG3 ARG 60 HG3 ARG 60 -7.896 -9.290 22.937
458 HD2 ARG 60 HD2 ARG 60 -6.294 -8.843 20.390
459 HD3 ARG 60 HD3 ARG 60 -5.768 -9.751 21.813
460 HE ARG 60 HE ARG 60 -8.149 -10.909 21.058
461 HH11 ARG 60 HH11 ARG 60 -5.030 -10.472 19.492
462 HH12 ARG 60 HH12 ARG 60 -5.186 -11.904 18.521
463 HH21 ARG 60 HH21 ARG 60 -8.321 -12.804 19.799
464 HH22 ARG 60 HH22 ARG 60 -7.036 -13.216 18.702
465 H LYS 61 H LYS 61 -10.740 -5.979 20.842
466 HA LYS 61 HA LYS 61 -12.275 -6.321 18.404
467 HB2 LYS 61 HB2 LYS 61 -12.706 -4.468 20.799
468 HB3 LYS 61 HB3 LYS 61 -13.871 -4.733 19.501
469 HG2 LYS 61 HG2 LYS 61 -14.183 -7.037 20.153
470 HG3 LYS 61 HG3 LYS 61 -12.860 -6.939 21.321
471 HD2 LYS 61 HD2 LYS 61 -14.162 -5.337 22.682
472 HD3 LYS 61 HD3 LYS 61 -15.478 -5.384 21.502
473 HE2 LYS 61 HE2 LYS 61 -15.916 -6.813 23.492
474 HE3 LYS 61 HE3 LYS 61 -15.887 -7.741 21.992
475 HZ1 LYS 61 HZ1 LYS 61 -14.694 -8.839 23.796
476 HZ2 LYS 61 HZ2 LYS 61 -13.632 -7.532 23.915
477 HZ3 LYS 61 HZ3 LYS 61 -13.658 -8.470 22.511
478 H ARG 62 H ARG 62 -10.846 -5.538 16.861
479 HA ARG 62 HA ARG 62 -9.334 -3.087 17.305
480 HB2 ARG 62 HB2 ARG 62 -8.522 -5.427 16.401
481 HB3 ARG 62 HB3 ARG 62 -9.136 -4.866 14.851
482 HG2 ARG 62 HG2 ARG 62 -7.574 -2.960 14.904
483 HG3 ARG 62 HG3 ARG 62 -7.006 -3.457 16.502
484 HD2 ARG 62 HD2 ARG 62 -6.359 -5.707 15.364
485 HD3 ARG 62 HD3 ARG 62 -6.585 -4.842 13.841
486 HE ARG 62 HE ARG 62 -4.709 -3.516 14.308
487 HH11 ARG 62 HH11 ARG 62 -5.278 -5.820 16.905
488 HH12 ARG 62 HH12 ARG 62 -3.689 -5.640 17.576
489 HH21 ARG 62 HH21 ARG 62 -2.610 -3.348 15.170
490 HH22 ARG 62 HH22 ARG 62 -2.180 -4.243 16.594
491 H LYS 63 H LYS 63 -12.346 -3.402 16.263
492 HA LYS 63 HA LYS 63 -12.249 -1.283 14.263
493 HB2 LYS 63 HB2 LYS 63 -13.697 -2.684 12.695
494 HB3 LYS 63 HB3 LYS 63 -12.007 -3.155 12.806
495 HG2 LYS 63 HG2 LYS 63 -12.649 -4.994 14.373
496 HG3 LYS 63 HG3 LYS 63 -14.345 -4.557 14.157
497 HD2 LYS 63 HD2 LYS 63 -12.457 -5.521 11.971
498 HD3 LYS 63 HD3 LYS 63 -13.710 -6.486 12.752
499 HE2 LYS 63 HE2 LYS 63 -15.444 -5.015 11.833
500 HE3 LYS 63 HE3 LYS 63 -14.207 -3.996 11.086
501 HZ1 LYS 63 HZ1 LYS 63 -14.698 -6.860 10.463
502 HZ2 LYS 63 HZ2 LYS 63 -13.512 -5.893 9.749
503 HZ3 LYS 63 HZ3 LYS 63 -15.145 -5.549 9.498