Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
631067 | 6e86 RC | 30502 | cing | 1-original | 6 | MR format | nomenclature mapping |
Start of MODEL 1
1 H1 GLY 811 H1 GLY 1 -7.753 29.946 1.297
2 H2 GLY 811 H2 GLY 1 -6.878 29.601 2.635
3 H3 GLY 811 H3 GLY 1 -7.919 28.489 2.036
4 HA2 GLY 811 HA2 GLY 1 -6.612 28.266 0.005
5 HA3 GLY 811 HA3 GLY 1 -5.483 29.462 0.669
6 HA PRO 812 HA PRO 2 -3.833 25.255 1.699
7 HB2 PRO 812 HB2 PRO 2 -1.297 26.786 1.137
8 HB3 PRO 812 HB3 PRO 2 -1.722 25.090 0.734
9 HG2 PRO 812 HG2 PRO 2 -1.839 27.017 -1.175
10 HG3 PRO 812 HG3 PRO 2 -3.196 25.847 -1.035
11 HD2 PRO 812 HD2 PRO 2 -3.014 28.651 0.127
12 HD3 PRO 812 HD3 PRO 2 -4.324 27.917 -0.853
13 H LEU 813 H LEU 3 -1.817 24.738 3.048
14 HA LEU 813 HA LEU 3 -0.852 24.486 5.030
15 HB2 LEU 813 HB2 LEU 3 -1.259 27.377 5.719
16 HB3 LEU 813 HB3 LEU 3 -0.107 26.251 6.405
17 HG LEU 813 HG LEU 3 -0.065 27.452 3.597
18 HD11 LEU 813 HD11 LEU 3 2.005 28.508 4.417
19 HD12 LEU 813 HD12 LEU 3 1.799 27.705 5.994
20 HD13 LEU 813 HD13 LEU 3 0.630 28.931 5.457
21 HD21 LEU 813 HD21 LEU 3 1.876 25.470 4.862
22 HD22 LEU 813 HD22 LEU 3 2.128 26.333 3.331
23 HD23 LEU 813 HD23 LEU 3 0.810 25.170 3.459
24 H GLY 814 H GLY 4 -1.669 23.308 6.517
25 HA2 GLY 814 HA2 GLY 4 -2.949 22.573 8.311
26 HA3 GLY 814 HA3 GLY 4 -3.643 24.189 8.464
27 H SER 815 H SER 5 -4.035 23.035 5.307
28 HA SER 815 HA SER 5 -6.779 22.029 5.744
29 HB2 SER 815 HB2 SER 5 -7.461 23.603 3.958
30 HB3 SER 815 HB3 SER 5 -6.677 24.455 5.307
31 HG SER 815 HG SER 5 -5.836 25.150 3.298
32 H VAL 816 H VAL 6 -3.895 21.033 4.489
33 HA VAL 816 HA VAL 6 -4.471 20.464 1.754
34 HB VAL 816 HB VAL 6 -2.358 19.446 3.694
35 HG11 VAL 816 HG11 VAL 6 -0.936 19.033 1.794
36 HG12 VAL 816 HG12 VAL 6 -2.268 19.451 0.687
37 HG13 VAL 816 HG13 VAL 6 -2.399 18.034 1.775
38 HG21 VAL 816 HG21 VAL 6 -0.924 21.177 2.922
39 HG22 VAL 816 HG22 VAL 6 -2.395 21.977 3.413
40 HG23 VAL 816 HG23 VAL 6 -2.102 21.716 1.681
41 H GLN 817 H GLN 7 -5.399 18.765 0.824
42 HA GLN 817 HA GLN 7 -6.175 16.439 2.540
43 HB2 GLN 817 HB2 GLN 7 -7.915 16.103 0.828
44 HB3 GLN 817 HB3 GLN 7 -8.079 17.584 1.768
45 HG2 GLN 817 HG2 GLN 7 -8.146 18.875 -0.027
46 HG3 GLN 817 HG3 GLN 7 -6.619 18.273 -0.604
47 HE21 GLN 817 HE21 GLN 7 -6.617 16.186 -1.786
48 HE22 GLN 817 HE22 GLN 7 -7.989 15.861 -2.862
49 H HIS 818 H HIS 8 -5.063 14.591 2.267
50 HA HIS 818 HA HIS 8 -3.813 14.102 -0.409
51 HB2 HIS 818 HB2 HIS 8 -2.764 13.910 2.330
52 HB3 HIS 818 HB3 HIS 8 -2.440 12.521 1.315
53 HD2 HIS 818 HD2 HIS 8 -1.310 16.034 1.836
54 HE1 HIS 818 HE1 HIS 8 0.173 15.041 -2.028
55 HE2 HIS 818 HE2 HIS 8 0.168 16.810 -0.227
56 H VAL 819 H VAL 9 -5.963 13.506 -0.972
57 HA VAL 819 HA VAL 9 -7.133 10.962 -0.414
58 HB VAL 819 HB VAL 9 -7.173 12.701 -2.881
59 HG11 VAL 819 HG11 VAL 9 -8.920 10.313 -2.136
60 HG12 VAL 819 HG12 VAL 9 -7.774 10.378 -3.503
61 HG13 VAL 819 HG13 VAL 9 -9.197 11.428 -3.492
62 HG21 VAL 819 HG21 VAL 9 -9.435 13.275 -1.993
63 HG22 VAL 819 HG22 VAL 9 -8.172 13.731 -0.849
64 HG23 VAL 819 HG23 VAL 9 -9.127 12.258 -0.564
65 H GLY 820 H GLY 10 -6.234 9.045 -0.572
66 HA2 GLY 820 HA2 GLY 10 -5.065 7.313 -1.741
67 HA3 GLY 820 HA3 GLY 10 -4.054 8.513 -2.542
68 H PHE 821 H PHE 11 -4.173 9.457 0.723
69 HA PHE 821 HA PHE 11 -1.964 7.590 1.521
70 HB2 PHE 821 HB2 PHE 11 -1.899 10.564 1.954
71 HB3 PHE 821 HB3 PHE 11 -0.654 9.396 2.319
72 HD1 PHE 821 HD1 PHE 11 1.107 9.083 0.783
73 HD2 PHE 821 HD2 PHE 11 -2.520 11.014 -0.474
74 HE1 PHE 821 HE1 PHE 11 2.194 9.746 -1.366
75 HE2 PHE 821 HE2 PHE 11 -1.421 11.765 -2.551
76 HZ PHE 821 HZ PHE 11 0.942 11.209 -2.962
77 H LYS 822 H LYS 12 -3.378 6.484 2.844
78 HA LYS 822 HA LYS 12 -4.699 7.874 5.140
79 HB2 LYS 822 HB2 LYS 12 -6.052 6.227 4.149
80 HB3 LYS 822 HB3 LYS 12 -4.780 5.132 3.905
81 HG2 LYS 822 HG2 LYS 12 -5.123 5.421 6.804
82 HG3 LYS 822 HG3 LYS 12 -6.691 5.387 6.085
83 HD2 LYS 822 HD2 LYS 12 -6.198 3.194 6.715
84 HD3 LYS 822 HD3 LYS 12 -6.167 3.237 4.948
85 HE2 LYS 822 HE2 LYS 12 -3.681 3.300 5.006
86 HE3 LYS 822 HE3 LYS 12 -3.715 3.359 6.776
87 HZ1 LYS 822 HZ1 LYS 12 -4.773 1.144 6.774
88 HZ2 LYS 822 HZ2 LYS 12 -3.346 1.066 5.992
89 HZ3 LYS 822 HZ3 LYS 12 -4.746 1.076 5.145
90 H CYS 823 H CYS 13 -3.963 7.689 7.240
91 HA CYS 823 HA CYS 13 -1.137 7.581 7.606
92 HB2 CYS 823 HB2 CYS 13 -2.696 9.070 8.791
93 HB3 CYS 823 HB3 CYS 13 -3.462 7.672 9.518
94 H ASP 824 H ASP 14 0.051 6.335 8.924
95 HA ASP 824 HA ASP 14 -0.654 3.427 9.161
96 HB2 ASP 824 HB2 ASP 14 1.986 4.937 9.155
97 HB3 ASP 824 HB3 ASP 14 1.839 3.245 9.605
98 H ASN 825 H ASN 15 0.195 6.254 11.082
99 HA ASN 825 HA ASN 15 0.686 4.849 13.552
100 HB2 ASN 825 HB2 ASN 15 1.397 7.168 13.081
101 HB3 ASN 825 HB3 ASN 15 -0.294 7.699 13.153
102 HD21 ASN 825 HD21 ASN 15 -0.033 9.051 14.957
103 HD22 ASN 825 HD22 ASN 15 0.344 8.385 16.556
104 H CYS 826 H CYS 16 -2.234 6.736 12.564
105 HA CYS 826 HA CYS 16 -3.775 5.307 14.640
106 HB2 CYS 826 HB2 CYS 16 -4.984 7.274 14.945
107 HB3 CYS 826 HB3 CYS 16 -3.307 7.801 14.807
108 H GLY 827 H GLY 17 -3.556 5.516 11.230
109 HA2 GLY 827 HA2 GLY 17 -4.527 4.063 9.756
110 HA3 GLY 827 HA3 GLY 17 -5.712 3.583 10.944
111 H ILE 828 H ILE 18 -5.534 6.997 10.742
112 HA ILE 828 HA ILE 18 -8.127 7.237 9.725
113 HB ILE 828 HB ILE 18 -7.142 8.870 11.218
114 HG12 ILE 828 HG12 ILE 18 -7.799 10.278 8.605
115 HG13 ILE 828 HG13 ILE 18 -9.021 9.467 9.542
116 HG21 ILE 828 HG21 ILE 18 -4.812 8.928 10.278
117 HG22 ILE 828 HG22 ILE 18 -5.527 10.511 10.480
118 HG23 ILE 828 HG23 ILE 18 -5.403 9.796 8.868
119 HD11 ILE 828 HD11 ILE 18 -7.353 11.828 10.483
120 HD12 ILE 828 HD12 ILE 18 -8.496 10.925 11.502
121 HD13 ILE 828 HD13 ILE 18 -9.078 11.814 10.081
122 H GLU 829 H GLU 19 -8.952 7.792 7.838
123 HA GLU 829 HA GLU 19 -7.789 7.066 5.377
124 HB2 GLU 829 HB2 GLU 19 -9.727 8.708 4.602
125 HB3 GLU 829 HB3 GLU 19 -10.014 7.050 5.029
126 HG2 GLU 829 HG2 GLU 19 -10.832 7.751 7.255
127 HG3 GLU 829 HG3 GLU 19 -10.327 9.416 6.937
128 HA PRO 830 HA PRO 20 -5.525 9.959 3.060
129 HB2 PRO 830 HB2 PRO 20 -8.270 11.203 2.761
130 HB3 PRO 830 HB3 PRO 20 -6.935 11.041 1.576
131 HG2 PRO 830 HG2 PRO 20 -9.073 9.294 2.016
132 HG3 PRO 830 HG3 PRO 20 -7.650 8.940 0.991
133 HD2 PRO 830 HD2 PRO 20 -8.162 7.562 3.304
134 HD3 PRO 830 HD3 PRO 20 -6.535 7.834 2.637
135 H ILE 831 H ILE 21 -4.225 10.859 4.529
136 HA ILE 831 HA ILE 21 -4.808 12.353 6.747
137 HB ILE 831 HB ILE 21 -2.366 12.401 4.960
138 HG12 ILE 831 HG12 ILE 21 -2.672 11.084 7.693
139 HG13 ILE 831 HG13 ILE 21 -3.219 10.256 6.256
140 HG21 ILE 831 HG21 ILE 21 -2.231 14.482 6.231
141 HG22 ILE 831 HG22 ILE 21 -1.107 13.333 6.952
142 HG23 ILE 831 HG23 ILE 21 -2.662 13.638 7.730
143 HD11 ILE 831 HD11 ILE 21 -1.033 10.339 5.236
144 HD12 ILE 831 HD12 ILE 21 -0.926 9.611 6.854
145 HD13 ILE 831 HD13 ILE 21 -0.378 11.268 6.599
146 H GLN 832 H GLN 22 -5.100 14.346 7.420
147 HA GLN 832 HA GLN 22 -5.578 16.418 5.325
148 HB2 GLN 832 HB2 GLN 22 -6.981 16.097 7.993
149 HB3 GLN 832 HB3 GLN 22 -7.293 17.323 6.759
150 HG2 GLN 832 HG2 GLN 22 -7.681 14.332 6.294
151 HG3 GLN 832 HG3 GLN 22 -8.936 15.418 6.829
152 HE21 GLN 832 HE21 GLN 22 -7.951 13.906 4.105
153 HE22 GLN 832 HE22 GLN 22 -8.617 15.066 2.950
154 H GLY 833 H GLY 23 -4.717 18.377 5.541
155 HA2 GLY 833 HA2 GLY 23 -4.167 20.294 6.982
156 HA3 GLY 833 HA3 GLY 23 -3.376 19.214 8.079
157 H VAL 834 H VAL 24 -1.704 17.828 7.062
158 HA VAL 834 HA VAL 24 -0.017 18.803 4.918
159 HB VAL 834 HB VAL 24 0.509 20.127 6.977
160 HG11 VAL 834 HG11 VAL 24 1.603 19.202 8.876
161 HG12 VAL 834 HG12 VAL 24 1.504 17.561 8.186
162 HG13 VAL 834 HG13 VAL 24 0.014 18.437 8.651
163 HG21 VAL 834 HG21 VAL 24 2.313 19.819 5.352
164 HG22 VAL 834 HG22 VAL 24 2.749 18.255 6.099
165 HG23 VAL 834 HG23 VAL 24 2.976 19.772 6.983
166 H ARG 835 H ARG 25 1.056 16.922 4.059
167 HA ARG 835 HA ARG 25 0.458 14.341 5.478
168 HB2 ARG 835 HB2 ARG 25 -0.083 14.423 3.119
169 HB3 ARG 835 HB3 ARG 25 1.587 14.819 2.695
170 HG2 ARG 835 HG2 ARG 25 2.340 12.619 3.491
171 HG3 ARG 835 HG3 ARG 25 0.715 12.265 4.113
172 HD2 ARG 835 HD2 ARG 25 0.948 11.112 2.062
173 HD3 ARG 835 HD3 ARG 25 -0.161 12.428 1.779
174 HE ARG 835 HE ARG 25 1.333 13.391 0.291
175 HH11 ARG 835 HH11 ARG 25 2.892 10.634 1.836
176 HH12 ARG 835 HH12 ARG 25 4.253 10.688 0.750
177 HH21 ARG 835 HH21 ARG 25 3.145 13.373 -1.078
178 HH22 ARG 835 HH22 ARG 25 4.365 12.160 -0.857
179 H TRP 836 H TRP 26 2.226 12.827 5.850
180 HA TRP 836 HA TRP 26 4.897 14.146 6.092
181 HB2 TRP 836 HB2 TRP 26 3.604 12.522 8.297
182 HB3 TRP 836 HB3 TRP 26 5.290 12.811 8.142
183 HD1 TRP 836 HD1 TRP 26 2.150 14.879 8.916
184 HE1 TRP 836 HE1 TRP 26 2.953 17.077 10.043
185 HE3 TRP 836 HE3 TRP 26 7.121 14.598 7.875
186 HZ2 TRP 836 HZ2 TRP 26 5.453 18.265 10.785
187 HZ3 TRP 836 HZ3 TRP 26 8.737 16.143 8.939
188 HH2 TRP 836 HH2 TRP 26 7.933 17.946 10.438
189 H HIS 837 H HIS 27 5.832 13.271 4.472
190 HA HIS 837 HA HIS 27 5.396 10.454 3.644
191 HB2 HIS 837 HB2 HIS 27 5.439 12.371 2.012
192 HB3 HIS 837 HB3 HIS 27 7.083 12.719 2.480
193 HD2 HIS 837 HD2 HIS 27 9.029 11.258 1.470
194 HE1 HIS 837 HE1 HIS 27 6.648 8.574 -0.846
195 HE2 HIS 837 HE2 HIS 27 9.028 9.338 -0.347
196 H CYS 838 H CYS 28 6.547 8.942 4.727
197 HA CYS 838 HA CYS 28 8.940 9.328 6.161
198 HB2 CYS 838 HB2 CYS 28 7.445 7.055 4.934
199 HB3 CYS 838 HB3 CYS 28 9.147 6.796 5.362
200 H GLN 839 H GLN 29 11.008 9.705 5.601
201 HA GLN 839 HA GLN 29 11.628 10.032 2.783
202 HB2 GLN 839 HB2 GLN 29 13.318 10.460 5.266
203 HB3 GLN 839 HB3 GLN 29 13.778 10.910 3.634
204 HG2 GLN 839 HG2 GLN 29 11.410 12.176 3.654
205 HG3 GLN 839 HG3 GLN 29 11.642 12.127 5.391
206 HE21 GLN 839 HE21 GLN 29 11.928 14.427 5.681
207 HE22 GLN 839 HE22 GLN 29 13.187 15.299 4.833
208 H ASP 840 H ASP 30 12.519 7.677 5.268
209 HA ASP 840 HA ASP 30 14.600 6.511 3.457
210 HB2 ASP 840 HB2 ASP 30 15.234 7.290 5.715
211 HB3 ASP 840 HB3 ASP 30 14.093 6.143 6.408
212 H CYS 841 H CYS 31 11.561 5.676 5.115
213 HA CYS 841 HA CYS 31 11.676 2.886 4.593
214 HB2 CYS 841 HB2 CYS 31 9.188 4.602 4.943
215 HB3 CYS 841 HB3 CYS 31 9.315 2.861 5.056
216 HA PRO 842 HA PRO 32 11.544 2.836 0.299
217 HB2 PRO 842 HB2 PRO 32 10.660 0.345 -0.392
218 HB3 PRO 842 HB3 PRO 32 12.179 0.631 0.515
219 HG2 PRO 842 HG2 PRO 32 9.448 -0.083 1.635
220 HG3 PRO 842 HG3 PRO 32 11.024 -0.853 1.994
221 HD2 PRO 842 HD2 PRO 32 9.956 1.082 3.602
222 HD3 PRO 842 HD3 PRO 32 11.707 0.944 3.335
223 HA PRO 843 HA PRO 33 7.708 4.160 -1.588
224 HB2 PRO 843 HB2 PRO 33 8.722 2.608 -3.988
225 HB3 PRO 843 HB3 PRO 33 7.985 4.238 -3.939
226 HG2 PRO 843 HG2 PRO 33 10.661 4.007 -4.107
227 HG3 PRO 843 HG3 PRO 33 9.967 5.162 -2.922
228 HD2 PRO 843 HD2 PRO 33 11.011 2.361 -2.430
229 HD3 PRO 843 HD3 PRO 33 11.302 3.869 -1.506
230 H GLU 844 H GLU 34 8.571 0.726 -1.994
231 HA GLU 844 HA GLU 34 6.045 -0.346 -2.642
232 HB2 GLU 844 HB2 GLU 34 8.168 -1.565 -2.701
233 HB3 GLU 844 HB3 GLU 34 8.271 -1.534 -0.937
234 HG2 GLU 844 HG2 GLU 34 6.242 -2.910 -0.746
235 HG3 GLU 844 HG3 GLU 34 6.013 -2.866 -2.495
236 H MET 845 H MET 35 7.340 0.554 0.529
237 HA MET 845 HA MET 35 4.854 -0.192 1.962
238 HB2 MET 845 HB2 MET 35 7.445 1.101 2.870
239 HB3 MET 845 HB3 MET 35 6.044 0.875 3.919
240 HG2 MET 845 HG2 MET 35 7.433 -1.395 2.461
241 HG3 MET 845 HG3 MET 35 7.802 -0.904 4.112
242 HE1 MET 845 HE1 MET 35 5.013 -0.369 5.569
243 HE2 MET 845 HE2 MET 35 6.358 -1.346 6.216
244 HE3 MET 845 HE3 MET 35 4.707 -1.996 6.189
245 H SER 846 H SER 36 6.610 2.762 1.084
246 HA SER 846 HA SER 36 6.252 4.957 1.492
247 HB2 SER 846 HB2 SER 36 5.477 4.551 -0.782
248 HB3 SER 846 HB3 SER 36 3.814 4.382 -0.190
249 HG SER 846 HG SER 36 4.388 6.551 -0.938
250 H LEU 847 H LEU 37 6.085 4.965 3.650
251 HA LEU 847 HA LEU 37 3.526 4.641 5.019
252 HB2 LEU 847 HB2 LEU 37 6.406 5.007 5.856
253 HB3 LEU 847 HB3 LEU 37 5.142 5.250 6.997
254 HG LEU 847 HG LEU 37 4.762 2.715 5.437
255 HD11 LEU 847 HD11 LEU 37 7.414 3.121 6.756
256 HD12 LEU 847 HD12 LEU 37 7.053 2.755 5.058
257 HD13 LEU 847 HD13 LEU 37 6.738 1.527 6.296
258 HD21 LEU 847 HD21 LEU 37 5.318 1.993 8.074
259 HD22 LEU 847 HD22 LEU 37 3.778 2.101 7.250
260 HD23 LEU 847 HD23 LEU 37 4.339 3.506 8.150
261 H ASP 848 H ASP 38 2.605 6.221 6.511
262 HA ASP 848 HA ASP 38 3.357 9.000 6.010
263 HB2 ASP 848 HB2 ASP 38 0.555 8.077 5.363
264 HB3 ASP 848 HB3 ASP 38 1.170 9.728 5.368
265 H PHE 849 H PHE 39 2.619 10.484 7.460
266 HA PHE 849 HA PHE 39 0.878 9.546 9.689
267 HB2 PHE 849 HB2 PHE 39 3.409 11.189 10.154
268 HB3 PHE 849 HB3 PHE 39 2.256 10.608 11.308
269 HD1 PHE 849 HD1 PHE 39 2.702 8.720 12.500
270 HD2 PHE 849 HD2 PHE 39 4.705 9.227 8.713
271 HE1 PHE 849 HE1 PHE 39 3.842 6.551 12.821
272 HE2 PHE 849 HE2 PHE 39 5.879 7.169 9.069
273 HZ PHE 849 HZ PHE 39 5.426 5.687 11.092
274 H CYS 850 H CYS 40 -0.527 11.047 10.611
275 HA CYS 850 HA CYS 40 -1.120 13.486 9.320
276 HB2 CYS 850 HB2 CYS 40 -1.711 12.631 12.180
277 HB3 CYS 850 HB3 CYS 40 -2.617 13.811 11.242
278 H ASP 851 H ASP 41 -1.290 15.605 10.600
279 HA ASP 851 HA ASP 41 1.203 16.773 11.087
280 HB2 ASP 851 HB2 ASP 41 0.013 18.697 11.695
281 HB3 ASP 851 HB3 ASP 41 -0.991 17.899 10.508
282 H SER 852 H SER 42 -0.935 15.177 13.389
283 HA SER 852 HA SER 42 0.746 15.833 15.702
284 HB2 SER 852 HB2 SER 42 -1.706 15.811 15.913
285 HB3 SER 852 HB3 SER 42 -1.726 14.090 15.470
286 HG SER 852 HG SER 42 -1.769 14.448 17.770
287 H CYS 853 H CYS 43 -0.009 12.995 13.659
288 HA CYS 853 HA CYS 43 1.161 11.026 15.343
289 HB2 CYS 853 HB2 CYS 43 0.354 11.156 12.443
290 HB3 CYS 853 HB3 CYS 43 0.868 9.690 13.249
291 H SER 854 H SER 44 2.410 13.101 12.811
292 HA SER 854 HA SER 44 4.776 11.710 12.043
293 HB2 SER 854 HB2 SER 44 5.456 13.879 11.208
294 HB3 SER 854 HB3 SER 44 3.726 13.668 10.942
295 HG SER 854 HG SER 44 4.226 15.744 11.841
296 H ASP 855 H ASP 45 4.013 13.399 14.981
297 HA ASP 855 HA ASP 45 6.789 13.629 15.878
298 HB2 ASP 855 HB2 ASP 45 4.963 15.327 16.381
299 HB3 ASP 855 HB3 ASP 45 4.236 14.123 17.448
300 H CYS 856 H CYS 46 4.542 11.113 15.695
301 HA CYS 856 HA CYS 46 4.877 10.010 18.338
302 HB2 CYS 856 HB2 CYS 46 2.852 9.863 16.674
303 HB3 CYS 856 HB3 CYS 46 3.752 8.548 15.915
304 HG CYS 856 HG CYS 46 4.064 7.116 18.117
305 H LEU 857 H LEU 47 6.706 9.734 15.483
306 HA LEU 857 HA LEU 47 8.500 8.540 14.851
307 HB2 LEU 857 HB2 LEU 47 9.222 9.988 16.731
308 HB3 LEU 857 HB3 LEU 47 9.086 8.636 17.837
309 HG LEU 857 HG LEU 47 10.905 7.446 16.828
310 HD11 LEU 857 HD11 LEU 47 10.693 9.455 14.546
311 HD12 LEU 857 HD12 LEU 47 10.543 7.671 14.477
312 HD13 LEU 857 HD13 LEU 47 12.114 8.434 14.791
313 HD21 LEU 857 HD21 LEU 47 11.632 10.402 16.836
314 HD22 LEU 857 HD22 LEU 47 12.754 9.031 17.017
315 HD23 LEU 857 HD23 LEU 47 11.542 9.347 18.267
316 H HIS 858 H HIS 48 7.153 6.789 14.177
317 HA HIS 858 HA HIS 48 6.986 4.457 15.959
318 HB2 HIS 858 HB2 HIS 48 4.916 5.498 14.967
319 HB3 HIS 858 HB3 HIS 48 5.526 5.047 13.369
320 HD2 HIS 858 HD2 HIS 48 4.847 2.725 12.488
321 HE1 HIS 858 HE1 HIS 48 3.531 0.924 16.132
322 HE2 HIS 858 HE2 HIS 48 3.691 0.623 13.611
323 H GLU 859 H GLU 49 7.148 2.320 15.166
324 HA GLU 859 HA GLU 49 8.955 1.937 12.884
325 HB2 GLU 859 HB2 GLU 49 9.599 0.545 15.491
326 HB3 GLU 859 HB3 GLU 49 10.563 0.709 14.070
327 HG2 GLU 859 HG2 GLU 49 10.736 3.200 14.529
328 HG3 GLU 859 HG3 GLU 49 9.863 2.937 16.022
329 H THR 860 H THR 50 8.779 -0.016 11.845
330 HA THR 860 HA THR 50 6.842 -2.042 12.938
331 HB THR 860 HB THR 50 5.777 -2.381 10.899
332 HG1 THR 860 HG1 THR 50 6.413 -1.442 8.980
333 HG21 THR 860 HG21 THR 50 4.789 -0.434 11.921
334 HG22 THR 860 HG22 THR 50 4.865 -0.160 10.171
335 HG23 THR 860 HG23 THR 50 6.004 0.658 11.256
336 H ASP 861 H ASP 51 7.401 -3.609 10.391
337 HA ASP 861 HA ASP 51 9.846 -4.980 11.184
338 HB2 ASP 861 HB2 ASP 51 7.990 -5.323 8.870
339 HB3 ASP 861 HB3 ASP 51 9.351 -6.372 9.222
340 H ILE 862 H ILE 52 8.820 -2.583 8.865
341 HA ILE 862 HA ILE 52 11.516 -2.450 7.667
342 HB ILE 862 HB ILE 52 8.844 -1.768 6.471
343 HG12 ILE 862 HG12 ILE 52 11.053 -3.826 5.929
344 HG13 ILE 862 HG13 ILE 52 9.451 -4.181 6.585
345 HG21 ILE 862 HG21 ILE 52 11.686 -1.274 5.498
346 HG22 ILE 862 HG22 ILE 52 10.435 -0.045 5.798
347 HG23 ILE 862 HG23 ILE 52 10.243 -1.165 4.460
348 HD11 ILE 862 HD11 ILE 52 8.451 -3.351 4.461
349 HD12 ILE 862 HD12 ILE 52 9.447 -4.821 4.325
350 HD13 ILE 862 HD13 ILE 52 10.114 -3.268 3.793
351 H HIS 863 H HIS 53 8.820 -0.614 9.069
352 HA HIS 863 HA HIS 53 10.073 1.963 8.711
353 HB2 HIS 863 HB2 HIS 53 7.920 2.070 8.527
354 HB3 HIS 863 HB3 HIS 53 7.412 0.937 9.581
355 HD1 HIS 863 HD1 HIS 53 5.612 2.974 9.945
356 HD2 HIS 863 HD2 HIS 53 9.524 3.871 10.910
357 HE1 HIS 863 HE1 HIS 53 6.232 5.032 8.615
358 H LYS 864 H LYS 54 11.408 3.055 10.046
359 HA LYS 864 HA LYS 54 11.811 2.096 12.830
360 HB2 LYS 864 HB2 LYS 54 14.107 2.482 10.878
361 HB3 LYS 864 HB3 LYS 54 14.203 2.050 12.555
362 HG2 LYS 864 HG2 LYS 54 12.890 0.327 10.379
363 HG3 LYS 864 HG3 LYS 54 14.485 0.082 10.987
364 HD2 LYS 864 HD2 LYS 54 13.799 -0.714 13.076
365 HD3 LYS 864 HD3 LYS 54 12.192 -0.105 12.932
366 HE2 LYS 864 HE2 LYS 54 11.589 -1.671 11.219
367 HE3 LYS 864 HE3 LYS 54 13.261 -2.129 10.940
368 HZ1 LYS 864 HZ1 LYS 54 12.256 -3.830 12.269
369 HZ2 LYS 864 HZ2 LYS 54 11.605 -2.772 13.325
370 HZ3 LYS 864 HZ3 LYS 54 13.238 -3.028 13.300
371 H GLU 865 H GLU 55 12.934 3.572 14.232
372 HA GLU 865 HA GLU 55 12.461 6.353 13.649
373 HB2 GLU 865 HB2 GLU 55 13.137 6.739 15.905
374 HB3 GLU 865 HB3 GLU 55 12.119 5.312 15.872
375 HG2 GLU 865 HG2 GLU 55 14.272 3.935 15.963
376 HG3 GLU 865 HG3 GLU 55 15.172 5.432 16.099
377 H ASP 866 H ASP 56 14.814 4.576 12.395
378 HA ASP 866 HA ASP 56 17.239 5.894 13.065
379 HB2 ASP 866 HB2 ASP 56 16.830 3.562 12.122
380 HB3 ASP 866 HB3 ASP 56 16.652 4.367 10.571
381 H HIS 867 H HIS 57 14.626 6.851 11.128
382 HA HIS 867 HA HIS 57 16.202 8.391 9.157
383 HB2 HIS 867 HB2 HIS 57 14.299 8.114 7.803
384 HB3 HIS 867 HB3 HIS 57 14.809 6.596 8.456
385 HD1 HIS 867 HD1 HIS 57 12.271 8.979 10.333
386 HD2 HIS 867 HD2 HIS 57 12.691 5.406 8.194
387 HE1 HIS 867 HE1 HIS 57 9.903 8.127 9.946
388 H GLN 868 H GLN 58 13.974 9.799 8.277
389 HA GLN 868 HA GLN 58 12.885 11.599 10.271
390 HB2 GLN 868 HB2 GLN 58 13.540 13.648 9.109
391 HB3 GLN 868 HB3 GLN 58 14.951 12.802 9.720
392 HG2 GLN 868 HG2 GLN 58 14.034 12.594 6.813
393 HG3 GLN 868 HG3 GLN 58 15.142 13.832 7.387
394 HE21 GLN 868 HE21 GLN 58 17.209 12.938 8.532
395 HE22 GLN 868 HE22 GLN 58 17.835 11.451 7.829
396 H LEU 869 H LEU 59 11.113 12.916 9.356
397 HA LEU 869 HA LEU 59 9.760 11.621 7.013
398 HB2 LEU 869 HB2 LEU 59 8.621 13.375 9.227
399 HB3 LEU 869 HB3 LEU 59 7.731 12.530 7.959
400 HG LEU 869 HG LEU 59 7.330 11.530 10.029
401 HD11 LEU 869 HD11 LEU 59 9.140 9.696 8.439
402 HD12 LEU 869 HD12 LEU 59 7.438 10.066 8.050
403 HD13 LEU 869 HD13 LEU 59 7.827 9.198 9.527
404 HD21 LEU 869 HD21 LEU 59 8.800 10.462 11.503
405 HD22 LEU 869 HD22 LEU 59 9.416 12.101 11.254
406 HD23 LEU 869 HD23 LEU 59 10.198 10.709 10.455
407 H GLU 870 H GLU 60 8.677 12.981 5.508
408 HA GLU 870 HA GLU 60 9.734 15.788 5.355
409 HB2 GLU 870 HB2 GLU 60 10.322 14.200 3.508
410 HB3 GLU 870 HB3 GLU 60 8.626 14.011 3.197
411 HG2 GLU 870 HG2 GLU 60 9.321 15.441 1.607
412 HG3 GLU 870 HG3 GLU 60 8.531 16.528 2.746
413 HA PRO 871 HA PRO 61 5.348 16.838 6.023
414 HB2 PRO 871 HB2 PRO 61 5.581 19.527 6.345
415 HB3 PRO 871 HB3 PRO 61 6.035 18.371 7.620
416 HG2 PRO 871 HG2 PRO 61 7.847 19.798 5.669
417 HG3 PRO 871 HG3 PRO 61 8.092 19.512 7.418
418 HD2 PRO 871 HD2 PRO 61 9.193 17.964 5.385
419 HD3 PRO 871 HD3 PRO 61 8.879 17.349 7.025
420 H ILE 872 H ILE 62 3.780 17.366 4.482
421 HA ILE 872 HA ILE 62 4.708 18.711 1.979
422 HB ILE 872 HB ILE 62 2.584 16.622 1.994
423 HG12 ILE 872 HG12 ILE 62 4.588 15.443 2.897
424 HG13 ILE 872 HG13 ILE 62 4.088 14.850 1.339
425 HG21 ILE 872 HG21 ILE 62 3.099 16.532 -0.411
426 HG22 ILE 872 HG22 ILE 62 4.428 17.689 -0.194
427 HG23 ILE 872 HG23 ILE 62 2.770 18.196 0.092
428 HD11 ILE 872 HD11 ILE 62 5.881 15.944 0.196
429 HD12 ILE 872 HD12 ILE 62 6.567 15.112 1.604
430 HD13 ILE 872 HD13 ILE 62 6.316 16.870 1.646
431 H TYR 873 H TYR 63 3.783 20.528 1.786
432 HA TYR 873 HA TYR 63 1.452 21.297 3.380
433 HB2 TYR 873 HB2 TYR 63 3.634 22.851 1.954
434 HB3 TYR 873 HB3 TYR 63 2.309 23.600 2.811
435 HD1 TYR 873 HD1 TYR 63 5.611 22.240 3.166
436 HD2 TYR 873 HD2 TYR 63 1.928 22.941 5.310
437 HE1 TYR 873 HE1 TYR 63 6.828 22.061 5.336
438 HE2 TYR 873 HE2 TYR 63 3.139 22.758 7.462
439 HH TYR 873 HH TYR 63 5.193 22.500 8.496
440 H ARG 874 H ARG 64 1.464 19.850 0.683
441 HA ARG 874 HA ARG 64 -0.720 21.254 -0.651
442 HB2 ARG 874 HB2 ARG 64 0.527 21.494 -2.781
443 HB3 ARG 874 HB3 ARG 64 1.178 22.501 -1.485
444 HG2 ARG 874 HG2 ARG 64 2.950 20.677 -1.118
445 HG3 ARG 874 HG3 ARG 64 2.362 19.920 -2.605
446 HD2 ARG 874 HD2 ARG 64 3.319 22.775 -2.324
447 HD3 ARG 874 HD3 ARG 64 4.347 21.422 -2.852
448 HE ARG 874 HE ARG 64 2.156 21.383 -4.577
449 HH11 ARG 874 HH11 ARG 64 4.694 23.710 -3.912
450 HH12 ARG 874 HH12 ARG 64 4.607 24.393 -5.510
451 HH21 ARG 874 HH21 ARG 64 2.084 22.322 -6.583
452 HH22 ARG 874 HH22 ARG 64 3.167 23.628 -6.979
453 H1 ALA 1 H1 ALA 65 1.072 6.104 3.950
454 H2 ALA 1 H2 ALA 65 0.980 5.030 5.198
455 H3 ALA 1 H3 ALA 65 -0.379 5.776 4.649
456 HA ALA 1 HA ALA 65 1.266 3.875 3.158
457 HB1 ALA 1 HB1 ALA 65 -0.699 2.376 3.259
458 HB2 ALA 1 HB2 ALA 65 -1.491 3.517 4.381
459 HB3 ALA 1 HB3 ALA 65 0.025 2.689 4.834
460 H ARG 2 H ARG 66 1.316 4.319 1.137
461 HA ARG 2 HA ARG 66 -0.481 5.879 -0.391
462 HB2 ARG 2 HB2 ARG 66 0.765 5.258 -2.272
463 HB3 ARG 2 HB3 ARG 66 1.874 5.394 -0.932
464 HG2 ARG 2 HG2 ARG 66 1.047 2.955 -2.495
465 HG3 ARG 2 HG3 ARG 66 2.652 3.556 -2.162
466 HD2 ARG 2 HD2 ARG 66 2.532 2.779 0.162
467 HD3 ARG 2 HD3 ARG 66 0.865 2.279 -0.030
468 HE ARG 2 HE ARG 66 3.207 0.787 -0.780
469 HH11 ARG 2 HH11 ARG 66 -0.197 1.191 -1.687
470 HH12 ARG 2 HH12 ARG 66 -0.284 -0.451 -2.275
471 HH21 ARG 2 HH21 ARG 66 2.993 -1.214 -1.474
472 HH22 ARG 2 HH22 ARG 66 1.495 -1.799 -2.174
473 H THR 3 H THR 67 -2.610 5.304 0.018
474 HA THR 3 HA THR 67 -3.702 2.776 -1.117
475 HB THR 3 HB THR 67 -5.898 3.843 -0.544
476 HG1 THR 3 HG1 THR 67 -5.877 5.742 0.614
477 HG21 THR 3 HG21 THR 67 -5.678 3.670 1.883
478 HG22 THR 3 HG22 THR 67 -3.907 3.832 1.771
479 HG23 THR 3 HG23 THR 67 -4.716 2.391 1.107
480 HH31 ALY 4 H26 ALY 68 -1.264 8.739 -10.502
481 HH32 ALY 4 H27 ALY 68 -2.690 9.801 -10.416
482 HH33 ALY 4 H28 ALY 68 -2.805 8.113 -9.872
483 HZ ALY 4 HZ1 ALY 68 -3.707 9.646 -8.089
484 HE3 ALY 4 HE3 ALY 68 -1.610 10.577 -6.171
485 HE2 ALY 4 HE2 ALY 68 -3.320 11.016 -6.177
486 HD3 ALY 4 HD3 ALY 68 -2.874 9.532 -4.334
487 HD2 ALY 4 HD2 ALY 68 -3.932 8.710 -5.496
488 HG3 ALY 4 HG3 ALY 68 -2.038 7.382 -6.331
489 HG2 ALY 4 HG2 ALY 68 -0.904 8.341 -5.374
490 HB3 ALY 4 HB3 ALY 68 -1.180 6.290 -4.220
491 HB2 ALY 4 HB2 ALY 68 -1.960 7.548 -3.284
492 HCA ALY 4 HA ALY 68 -4.190 6.786 -4.231
493 H ALY 4 H ALY 68 -2.768 5.860 -2.160
494 H GLN 5 H GLN 69 -5.334 5.674 -5.714
495 HA GLN 5 HA GLN 69 -4.340 3.281 -7.071
496 HB2 GLN 5 HB2 GLN 69 -6.811 4.992 -7.569
497 HB3 GLN 5 HB3 GLN 69 -6.478 3.437 -8.321
498 HG2 GLN 5 HG2 GLN 69 -6.930 3.909 -5.335
499 HG3 GLN 5 HG3 GLN 69 -8.075 3.213 -6.466
500 HE21 GLN 5 HE21 GLN 69 -5.536 2.463 -4.267
501 HE22 GLN 5 HE22 GLN 69 -5.372 0.770 -4.747
502 H THR 6 H THR 70 -4.079 3.059 -9.365
503 HA THR 6 HA THR 70 -3.785 5.385 -11.081
504 HB THR 6 HB THR 70 -1.618 5.383 -9.837
505 HG1 THR 6 HG1 THR 70 -1.528 6.257 -11.841
506 HG21 THR 6 HG21 THR 70 -1.319 2.930 -9.538
507 HG22 THR 6 HG22 THR 70 0.074 3.708 -10.299
508 HG23 THR 6 HG23 THR 70 -1.056 2.761 -11.288
509 H ALA 7 H ALA 71 -3.195 4.732 -13.349
510 HA ALA 7 HA ALA 71 -4.840 2.515 -14.171
511 HB1 ALA 7 HB1 ALA 71 -2.929 4.284 -15.748
512 HB2 ALA 7 HB2 ALA 71 -4.654 4.603 -15.452
513 HB3 ALA 7 HB3 ALA 71 -4.161 3.212 -16.438
514 H ARG 8 H ARG 72 -4.280 0.677 -15.365
515 HA ARG 8 HA ARG 72 -1.949 -0.813 -14.515
516 HB2 ARG 8 HB2 ARG 72 -4.187 -1.813 -14.950
517 HB3 ARG 8 HB3 ARG 72 -4.005 -1.458 -16.673
518 HG2 ARG 8 HG2 ARG 72 -2.034 -2.950 -16.785
519 HG3 ARG 8 HG3 ARG 72 -2.154 -3.248 -15.036
520 HD2 ARG 8 HD2 ARG 72 -4.398 -4.237 -15.365
521 HD3 ARG 8 HD3 ARG 72 -4.277 -3.941 -17.113
522 HE ARG 8 HE ARG 72 -2.006 -5.439 -16.347
523 HH11 ARG 8 HH11 ARG 72 -5.462 -5.972 -16.564
524 HH12 ARG 8 HH12 ARG 72 -5.278 -7.688 -16.825
525 HH21 ARG 8 HH21 ARG 72 -1.841 -7.633 -16.649
526 HH22 ARG 8 HH22 ARG 72 -3.270 -8.598 -16.866
Start of MODEL 2
1 H1 GLY 811 H1 GLY 1 -3.781 24.474 -4.725
2 H2 GLY 811 H2 GLY 1 -5.008 25.470 -4.284
3 H3 GLY 811 H3 GLY 1 -5.326 24.064 -5.060
4 HA2 GLY 811 HA2 GLY 1 -5.859 23.818 -2.709
5 HA3 GLY 811 HA3 GLY 1 -4.552 22.747 -3.211
6 HA PRO 812 HA PRO 2 -3.022 26.453 -0.385
7 HB2 PRO 812 HB2 PRO 2 -4.838 25.622 1.880
8 HB3 PRO 812 HB3 PRO 2 -4.206 27.246 1.472
9 HG2 PRO 812 HG2 PRO 2 -6.739 26.586 0.815
10 HG3 PRO 812 HG3 PRO 2 -5.709 27.449 -0.374
11 HD2 PRO 812 HD2 PRO 2 -6.322 24.484 -0.226
12 HD3 PRO 812 HD3 PRO 2 -6.349 25.582 -1.640
13 H LEU 813 H LEU 3 -1.343 26.237 1.072
14 HA LEU 813 HA LEU 3 -0.069 23.735 1.330
15 HB2 LEU 813 HB2 LEU 3 0.381 26.457 2.614
16 HB3 LEU 813 HB3 LEU 3 1.395 25.081 2.998
17 HG LEU 813 HG LEU 3 2.095 24.849 0.651
18 HD11 LEU 813 HD11 LEU 3 0.261 25.848 -0.610
19 HD12 LEU 813 HD12 LEU 3 1.740 26.744 -0.925
20 HD13 LEU 813 HD13 LEU 3 0.530 27.426 0.184
21 HD21 LEU 813 HD21 LEU 3 3.534 26.835 0.636
22 HD22 LEU 813 HD22 LEU 3 3.393 26.175 2.272
23 HD23 LEU 813 HD23 LEU 3 2.478 27.629 1.825
24 H GLY 814 H GLY 4 -2.348 25.200 3.545
25 HA2 GLY 814 HA2 GLY 4 -1.805 23.194 5.678
26 HA3 GLY 814 HA3 GLY 4 -2.856 24.600 5.792
27 H SER 815 H SER 5 -3.408 22.892 2.891
28 HA SER 815 HA SER 5 -5.713 21.375 3.932
29 HB2 SER 815 HB2 SER 5 -5.884 23.452 1.728
30 HB3 SER 815 HB3 SER 5 -7.222 22.476 2.349
31 HG SER 815 HG SER 5 -7.073 23.576 4.330
32 H VAL 816 H VAL 6 -3.058 20.742 2.591
33 HA VAL 816 HA VAL 6 -3.330 20.063 -0.126
34 HB VAL 816 HB VAL 6 -1.537 19.006 2.108
35 HG11 VAL 816 HG11 VAL 6 0.121 18.556 0.450
36 HG12 VAL 816 HG12 VAL 6 -1.000 19.048 -0.849
37 HG13 VAL 816 HG13 VAL 6 -1.350 17.613 0.168
38 HG21 VAL 816 HG21 VAL 6 -0.931 21.263 0.150
39 HG22 VAL 816 HG22 VAL 6 0.032 20.707 1.554
40 HG23 VAL 816 HG23 VAL 6 -1.476 21.529 1.816
41 H GLN 817 H GLN 7 -4.140 18.384 -1.183
42 HA GLN 817 HA GLN 7 -5.200 16.077 0.388
43 HB2 GLN 817 HB2 GLN 7 -6.524 15.660 -1.631
44 HB3 GLN 817 HB3 GLN 7 -6.879 17.185 -0.824
45 HG2 GLN 817 HG2 GLN 7 -6.580 18.372 -2.659
46 HG3 GLN 817 HG3 GLN 7 -4.951 17.765 -2.865
47 HE21 GLN 817 HE21 GLN 7 -4.728 15.594 -3.898
48 HE22 GLN 817 HE22 GLN 7 -5.836 15.224 -5.233
49 H HIS 818 H HIS 8 -3.944 14.320 0.492
50 HA HIS 818 HA HIS 8 -2.166 13.671 -1.832
51 HB2 HIS 818 HB2 HIS 8 -1.798 13.554 1.091
52 HB3 HIS 818 HB3 HIS 8 -1.311 12.108 0.238
53 HD2 HIS 818 HD2 HIS 8 -0.267 15.696 0.710
54 HE1 HIS 818 HE1 HIS 8 2.186 14.258 -2.455
55 HE2 HIS 818 HE2 HIS 8 1.713 16.238 -0.963
56 H VAL 819 H VAL 9 -4.205 13.058 -2.861
57 HA VAL 819 HA VAL 9 -5.518 10.583 -2.295
58 HB VAL 819 HB VAL 9 -5.170 12.080 -4.876
59 HG11 VAL 819 HG11 VAL 9 -7.068 10.720 -5.711
60 HG12 VAL 819 HG12 VAL 9 -6.975 9.697 -4.261
61 HG13 VAL 819 HG13 VAL 9 -5.634 9.731 -5.436
62 HG21 VAL 819 HG21 VAL 9 -7.484 11.766 -2.895
63 HG22 VAL 819 HG22 VAL 9 -7.552 12.672 -4.424
64 HG23 VAL 819 HG23 VAL 9 -6.510 13.235 -3.116
65 H GLY 820 H GLY 10 -4.891 8.563 -2.425
66 HA2 GLY 820 HA2 GLY 10 -3.622 6.726 -3.230
67 HA3 GLY 820 HA3 GLY 10 -2.376 7.818 -3.821
68 H PHE 821 H PHE 11 -2.908 9.040 -0.773
69 HA PHE 821 HA PHE 11 -1.002 7.113 0.535
70 HB2 PHE 821 HB2 PHE 11 -1.004 10.107 0.862
71 HB3 PHE 821 HB3 PHE 11 0.155 8.953 1.482
72 HD1 PHE 821 HD1 PHE 11 2.200 8.795 0.385
73 HD2 PHE 821 HD2 PHE 11 -1.196 10.361 -1.734
74 HE1 PHE 821 HE1 PHE 11 3.663 9.430 -1.549
75 HE2 PHE 821 HE2 PHE 11 0.249 11.078 -3.581
76 HZ PHE 821 HZ PHE 11 2.683 10.682 -3.469
77 H LYS 822 H LYS 12 -2.509 6.067 1.682
78 HA LYS 822 HA LYS 12 -4.347 7.419 3.626
79 HB2 LYS 822 HB2 LYS 12 -5.454 5.766 2.647
80 HB3 LYS 822 HB3 LYS 12 -4.113 4.826 2.248
81 HG2 LYS 822 HG2 LYS 12 -4.940 4.927 5.205
82 HG3 LYS 822 HG3 LYS 12 -5.952 4.122 4.049
83 HD2 LYS 822 HD2 LYS 12 -4.042 2.728 3.263
84 HD3 LYS 822 HD3 LYS 12 -2.967 3.654 4.320
85 HE2 LYS 822 HE2 LYS 12 -3.320 1.546 5.272
86 HE3 LYS 822 HE3 LYS 12 -4.040 2.794 6.296
87 HZ1 LYS 822 HZ1 LYS 12 -5.581 1.042 4.411
88 HZ2 LYS 822 HZ2 LYS 12 -6.253 2.141 5.432
89 HZ3 LYS 822 HZ3 LYS 12 -5.509 0.816 6.023
90 H CYS 823 H CYS 13 -3.925 7.345 5.839
91 HA CYS 823 HA CYS 13 -1.167 7.269 6.679
92 HB2 CYS 823 HB2 CYS 13 -2.635 8.938 7.538
93 HB3 CYS 823 HB3 CYS 13 -3.837 7.739 7.973
94 H ASP 824 H ASP 14 -0.332 6.120 8.408
95 HA ASP 824 HA ASP 14 -1.147 3.255 8.674
96 HB2 ASP 824 HB2 ASP 14 1.507 4.678 9.060
97 HB3 ASP 824 HB3 ASP 14 1.215 2.990 9.441
98 H ASN 825 H ASN 15 -0.583 6.200 10.594
99 HA ASN 825 HA ASN 15 -0.637 4.868 13.193
100 HB2 ASN 825 HB2 ASN 15 0.245 7.149 12.872
101 HB3 ASN 825 HB3 ASN 15 -1.367 7.714 12.402
102 HD21 ASN 825 HD21 ASN 15 -2.895 8.087 14.007
103 HD22 ASN 825 HD22 ASN 15 -2.464 8.033 15.722
104 H CYS 826 H CYS 16 -3.104 6.672 11.306
105 HA CYS 826 HA CYS 16 -5.233 5.806 13.088
106 HB2 CYS 826 HB2 CYS 16 -5.313 7.634 10.675
107 HB3 CYS 826 HB3 CYS 16 -6.461 7.595 12.007
108 H GLY 827 H GLY 17 -4.227 5.288 9.754
109 HA2 GLY 827 HA2 GLY 17 -4.889 3.727 8.286
110 HA3 GLY 827 HA3 GLY 17 -6.204 3.196 9.303
111 H ILE 828 H ILE 18 -6.111 6.639 9.046
112 HA ILE 828 HA ILE 18 -8.535 6.811 7.604
113 HB ILE 828 HB ILE 18 -7.884 8.528 9.152
114 HG12 ILE 828 HG12 ILE 18 -7.842 9.768 6.354
115 HG13 ILE 828 HG13 ILE 18 -9.284 9.104 7.054
116 HG21 ILE 828 HG21 ILE 18 -6.112 10.131 8.706
117 HG22 ILE 828 HG22 ILE 18 -5.599 9.247 7.262
118 HG23 ILE 828 HG23 ILE 18 -5.438 8.534 8.873
119 HD11 ILE 828 HD11 ILE 18 -7.761 11.501 8.109
120 HD12 ILE 828 HD12 ILE 18 -9.113 10.708 8.968
121 HD13 ILE 828 HD13 ILE 18 -9.368 11.452 7.374
122 H GLU 829 H GLU 19 -8.928 7.250 5.562
123 HA GLU 829 HA GLU 19 -7.269 6.334 3.457
124 HB2 GLU 829 HB2 GLU 19 -9.446 8.209 2.856
125 HB3 GLU 829 HB3 GLU 19 -9.049 6.664 2.122
126 HG2 GLU 829 HG2 GLU 19 -11.081 6.175 3.001
127 HG3 GLU 829 HG3 GLU 19 -9.985 5.522 4.207
128 HA PRO 830 HA PRO 20 -4.900 9.390 1.499
129 HB2 PRO 830 HB2 PRO 20 -7.317 10.818 0.375
130 HB3 PRO 830 HB3 PRO 20 -5.654 10.766 -0.276
131 HG2 PRO 830 HG2 PRO 20 -7.450 9.011 -1.157
132 HG3 PRO 830 HG3 PRO 20 -5.813 8.421 -0.709
133 HD2 PRO 830 HD2 PRO 20 -8.389 8.253 0.816
134 HD3 PRO 830 HD3 PRO 20 -7.021 7.097 0.786
135 H ILE 831 H ILE 21 -3.799 10.588 2.813
136 HA ILE 831 HA ILE 21 -4.818 12.092 4.929
137 HB ILE 831 HB ILE 21 -2.094 12.068 3.593
138 HG12 ILE 831 HG12 ILE 21 -2.903 10.878 6.286
139 HG13 ILE 831 HG13 ILE 21 -3.099 9.974 4.811
140 HG21 ILE 831 HG21 ILE 21 -2.184 14.212 4.747
141 HG22 ILE 831 HG22 ILE 21 -1.212 13.121 5.719
142 HG23 ILE 831 HG23 ILE 21 -2.878 13.453 6.193
143 HD11 ILE 831 HD11 ILE 21 -0.735 10.128 4.273
144 HD12 ILE 831 HD12 ILE 21 -0.994 9.389 5.870
145 HD13 ILE 831 HD13 ILE 21 -0.434 11.056 5.758
146 H GLN 832 H GLN 22 -5.221 14.127 5.418
147 HA GLN 832 HA GLN 22 -5.207 16.103 3.184
148 HB2 GLN 832 HB2 GLN 22 -7.082 15.987 5.568
149 HB3 GLN 832 HB3 GLN 22 -7.139 17.111 4.211
150 HG2 GLN 832 HG2 GLN 22 -7.576 14.100 4.009
151 HG3 GLN 832 HG3 GLN 22 -8.833 15.312 4.052
152 HE21 GLN 832 HE21 GLN 22 -7.443 13.324 1.903
153 HE22 GLN 832 HE22 GLN 22 -7.651 14.327 0.463
154 H GLY 833 H GLY 23 -4.427 18.092 3.484
155 HA2 GLY 833 HA2 GLY 23 -4.083 20.061 4.900
156 HA3 GLY 833 HA3 GLY 23 -3.550 19.022 6.178
157 H VAL 834 H VAL 24 -1.747 17.548 5.591
158 HA VAL 834 HA VAL 24 0.385 18.420 3.839
159 HB VAL 834 HB VAL 24 0.466 19.857 5.891
160 HG11 VAL 834 HG11 VAL 24 1.162 17.347 7.404
161 HG12 VAL 834 HG12 VAL 24 -0.391 18.231 7.489
162 HG13 VAL 834 HG13 VAL 24 1.108 19.016 8.026
163 HG21 VAL 834 HG21 VAL 24 2.814 17.936 5.589
164 HG22 VAL 834 HG22 VAL 24 2.867 19.476 6.462
165 HG23 VAL 834 HG23 VAL 24 2.573 19.480 4.722
166 H ARG 835 H ARG 25 1.612 16.512 3.343
167 HA ARG 835 HA ARG 25 0.748 14.024 4.801
168 HB2 ARG 835 HB2 ARG 25 0.675 13.945 2.352
169 HB3 ARG 835 HB3 ARG 25 2.418 14.258 2.271
170 HG2 ARG 835 HG2 ARG 25 2.889 12.119 3.373
171 HG3 ARG 835 HG3 ARG 25 1.162 11.878 3.711
172 HD2 ARG 835 HD2 ARG 25 1.775 10.513 1.858
173 HD3 ARG 835 HD3 ARG 25 0.735 11.790 1.266
174 HE ARG 835 HE ARG 25 2.454 12.637 -0.012
175 HH11 ARG 835 HH11 ARG 25 3.773 10.022 1.957
176 HH12 ARG 835 HH12 ARG 25 5.336 10.133 1.170
177 HH21 ARG 835 HH21 ARG 25 4.496 12.717 -0.930
178 HH22 ARG 835 HH22 ARG 25 5.713 11.587 -0.440
179 H TRP 836 H TRP 26 2.423 12.549 5.520
180 HA TRP 836 HA TRP 26 4.995 13.889 6.220
181 HB2 TRP 836 HB2 TRP 26 3.237 12.366 8.158
182 HB3 TRP 836 HB3 TRP 26 4.921 12.615 8.381
183 HD1 TRP 836 HD1 TRP 26 1.736 14.714 8.367
184 HE1 TRP 836 HE1 TRP 26 2.280 16.964 9.549
185 HE3 TRP 836 HE3 TRP 26 6.798 14.378 8.473
186 HZ2 TRP 836 HZ2 TRP 26 4.584 18.232 10.688
187 HZ3 TRP 836 HZ3 TRP 26 8.166 16.001 9.737
188 HH2 TRP 836 HH2 TRP 26 7.075 17.904 10.903
189 H HIS 837 H HIS 27 6.273 12.908 4.906
190 HA HIS 837 HA HIS 27 5.903 10.043 4.129
191 HB2 HIS 837 HB2 HIS 27 6.286 11.828 2.405
192 HB3 HIS 837 HB3 HIS 27 7.769 12.271 3.188
193 HD2 HIS 837 HD2 HIS 27 9.940 11.005 2.584
194 HE1 HIS 837 HE1 HIS 27 8.296 7.973 0.101
195 HE2 HIS 837 HE2 HIS 27 10.439 9.027 0.924
196 H CYS 838 H CYS 28 6.813 8.583 5.447
197 HA CYS 838 HA CYS 28 8.955 9.023 7.241
198 HB2 CYS 838 HB2 CYS 28 7.601 6.708 5.933
199 HB3 CYS 838 HB3 CYS 28 9.207 6.448 6.659
200 H GLN 839 H GLN 29 11.080 9.360 6.981
201 HA GLN 839 HA GLN 29 12.145 9.509 4.288
202 HB2 GLN 839 HB2 GLN 29 13.369 10.008 7.010
203 HB3 GLN 839 HB3 GLN 29 14.231 10.297 5.513
204 HG2 GLN 839 HG2 GLN 29 11.532 11.634 5.916
205 HG3 GLN 839 HG3 GLN 29 12.964 12.289 6.686
206 HE21 GLN 839 HE21 GLN 29 13.773 14.006 5.466
207 HE22 GLN 839 HE22 GLN 29 13.816 14.010 3.713
208 H ASP 840 H ASP 30 12.558 7.262 6.980
209 HA ASP 840 HA ASP 30 14.840 5.935 5.567
210 HB2 ASP 840 HB2 ASP 30 15.152 6.985 7.805
211 HB3 ASP 840 HB3 ASP 30 13.996 5.834 8.458
212 H CYS 841 H CYS 31 11.595 5.269 6.841
213 HA CYS 841 HA CYS 31 11.789 2.442 6.772
214 HB2 CYS 841 HB2 CYS 31 9.277 4.123 6.397
215 HB3 CYS 841 HB3 CYS 31 9.381 2.412 6.725
216 HA PRO 842 HA PRO 32 12.472 1.706 2.600
217 HB2 PRO 842 HB2 PRO 32 11.836 -0.903 2.199
218 HB3 PRO 842 HB3 PRO 32 13.090 -0.389 3.370
219 HG2 PRO 842 HG2 PRO 32 10.183 -1.057 3.928
220 HG3 PRO 842 HG3 PRO 32 11.634 -1.672 4.777
221 HD2 PRO 842 HD2 PRO 32 10.147 0.478 5.671
222 HD3 PRO 842 HD3 PRO 32 11.899 0.332 5.962
223 HA PRO 843 HA PRO 33 9.162 2.485 -0.235
224 HB2 PRO 843 HB2 PRO 33 10.500 0.418 -2.000
225 HB3 PRO 843 HB3 PRO 33 9.852 2.029 -2.442
226 HG2 PRO 843 HG2 PRO 33 12.500 1.733 -2.050
227 HG3 PRO 843 HG3 PRO 33 11.661 3.138 -1.309
228 HD2 PRO 843 HD2 PRO 33 12.445 0.512 -0.012
229 HD3 PRO 843 HD3 PRO 33 12.650 2.184 0.588
230 H GLU 844 H GLU 34 9.906 -0.962 0.264
231 HA GLU 844 HA GLU 34 7.496 -2.111 -0.647
232 HB2 GLU 844 HB2 GLU 34 9.554 -3.325 -0.090
233 HB3 GLU 844 HB3 GLU 34 9.329 -2.966 1.627
234 HG2 GLU 844 HG2 GLU 34 7.357 -4.369 1.735
235 HG3 GLU 844 HG3 GLU 34 7.289 -4.497 -0.026
236 H MET 845 H MET 35 8.163 -0.507 2.417
237 HA MET 845 HA MET 35 5.474 -1.148 3.499
238 HB2 MET 845 HB2 MET 35 8.020 -0.769 4.676
239 HB3 MET 845 HB3 MET 35 7.099 0.656 5.127
240 HG2 MET 845 HG2 MET 35 6.197 -2.231 5.462
241 HG3 MET 845 HG3 MET 35 6.938 -1.248 6.719
242 HE1 MET 845 HE1 MET 35 4.917 -2.019 8.281
243 HE2 MET 845 HE2 MET 35 4.125 -2.881 6.944
244 HE3 MET 845 HE3 MET 35 3.208 -1.707 7.909
245 H SER 846 H SER 36 7.429 1.697 2.628
246 HA SER 846 HA SER 36 6.994 3.916 2.429
247 HB2 SER 846 HB2 SER 36 4.863 2.613 0.706
248 HB3 SER 846 HB3 SER 36 5.166 4.359 0.715
249 HG SER 846 HG SER 36 6.824 2.290 -0.187
250 H LEU 847 H LEU 37 6.540 4.510 4.553
251 HA LEU 847 HA LEU 37 3.770 4.327 5.492
252 HB2 LEU 847 HB2 LEU 37 6.419 4.775 6.857
253 HB3 LEU 847 HB3 LEU 37 4.949 5.126 7.680
254 HG LEU 847 HG LEU 37 4.841 2.448 6.335
255 HD11 LEU 847 HD11 LEU 37 7.174 3.025 8.112
256 HD12 LEU 847 HD12 LEU 37 7.158 2.531 6.410
257 HD13 LEU 847 HD13 LEU 37 6.611 1.384 7.650
258 HD21 LEU 847 HD21 LEU 37 4.812 1.911 9.026
259 HD22 LEU 847 HD22 LEU 37 3.443 2.137 7.962
260 HD23 LEU 847 HD23 LEU 37 3.998 3.515 8.897
261 H ASP 848 H ASP 38 2.643 5.970 6.601
262 HA ASP 848 HA ASP 38 3.432 8.731 6.040
263 HB2 ASP 848 HB2 ASP 38 0.746 7.714 5.113
264 HB3 ASP 848 HB3 ASP 38 1.416 9.328 4.929
265 H PHE 849 H PHE 39 2.408 10.311 7.241
266 HA PHE 849 HA PHE 39 0.369 9.524 9.246
267 HB2 PHE 849 HB2 PHE 39 2.792 11.232 10.024
268 HB3 PHE 849 HB3 PHE 39 1.453 10.788 10.986
269 HD1 PHE 849 HD1 PHE 39 1.494 8.893 12.316
270 HD2 PHE 849 HD2 PHE 39 4.349 9.206 9.079
271 HE1 PHE 849 HE1 PHE 39 2.610 6.815 13.086
272 HE2 PHE 849 HE2 PHE 39 5.461 7.236 9.882
273 HZ PHE 849 HZ PHE 39 4.582 5.917 11.861
274 H CYS 850 H CYS 40 -1.200 11.032 9.705
275 HA CYS 850 HA CYS 40 -1.651 13.229 8.002
276 HB2 CYS 850 HB2 CYS 40 -2.808 12.730 10.766
277 HB3 CYS 850 HB3 CYS 40 -3.585 13.592 9.441
278 H ASP 851 H ASP 41 -2.293 15.420 8.901
279 HA ASP 851 HA ASP 41 -0.159 16.941 9.932
280 HB2 ASP 851 HB2 ASP 41 -1.675 18.725 10.006
281 HB3 ASP 851 HB3 ASP 41 -2.167 17.748 8.630
282 H SER 852 H SER 42 -2.737 15.236 11.662
283 HA SER 852 HA SER 42 -2.079 16.420 14.244
284 HB2 SER 852 HB2 SER 42 -4.412 16.022 13.574
285 HB3 SER 852 HB3 SER 42 -4.084 14.283 13.463
286 HG SER 852 HG SER 42 -4.111 15.936 15.787
287 H CYS 853 H CYS 43 -1.851 13.140 12.748
288 HA CYS 853 HA CYS 43 -0.946 11.997 15.223
289 HB2 CYS 853 HB2 CYS 43 -1.352 9.962 14.213
290 HB3 CYS 853 HB3 CYS 43 -2.616 11.054 13.625
291 H SER 854 H SER 44 0.619 13.188 12.397
292 HA SER 854 HA SER 44 3.179 11.935 12.534
293 HB2 SER 854 HB2 SER 44 4.002 14.022 11.506
294 HB3 SER 854 HB3 SER 44 2.514 13.470 10.729
295 HG SER 854 HG SER 44 1.457 15.127 11.522
296 H ASP 855 H ASP 45 1.623 13.750 14.946
297 HA ASP 855 HA ASP 45 3.948 14.911 16.240
298 HB2 ASP 855 HB2 ASP 45 1.559 15.676 16.563
299 HB3 ASP 855 HB3 ASP 45 1.233 14.154 17.396
300 H CYS 856 H CYS 46 2.901 11.711 15.735
301 HA CYS 856 HA CYS 46 3.862 10.672 18.307
302 HB2 CYS 856 HB2 CYS 46 1.705 9.865 17.459
303 HB3 CYS 856 HB3 CYS 46 2.514 9.231 16.008
304 HG CYS 856 HG CYS 46 1.933 7.258 17.661
305 H LEU 857 H LEU 47 5.648 9.567 18.528
306 HA LEU 857 HA LEU 47 7.482 9.133 16.219
307 HB2 LEU 857 HB2 LEU 47 8.357 10.432 18.060
308 HB3 LEU 857 HB3 LEU 47 8.001 9.148 19.217
309 HG LEU 857 HG LEU 47 9.659 7.687 18.245
310 HD11 LEU 857 HD11 LEU 47 11.127 8.564 16.329
311 HD12 LEU 857 HD12 LEU 47 9.887 9.794 16.055
312 HD13 LEU 857 HD13 LEU 47 9.486 8.062 15.877
313 HD21 LEU 857 HD21 LEU 47 10.456 9.429 19.803
314 HD22 LEU 857 HD22 LEU 47 10.763 10.529 18.440
315 HD23 LEU 857 HD23 LEU 47 11.698 9.029 18.611
316 H HIS 858 H HIS 48 6.405 7.448 15.308
317 HA HIS 858 HA HIS 48 5.588 5.159 16.962
318 HB2 HIS 858 HB2 HIS 48 3.935 6.413 15.555
319 HB3 HIS 858 HB3 HIS 48 4.828 5.893 14.129
320 HD2 HIS 858 HD2 HIS 48 3.643 3.912 12.989
321 HE1 HIS 858 HE1 HIS 48 1.955 1.967 16.388
322 HE2 HIS 858 HE2 HIS 48 2.160 1.905 13.849
323 H GLU 859 H GLU 49 5.730 3.039 16.370
324 HA GLU 859 HA GLU 49 7.783 2.268 14.425
325 HB2 GLU 859 HB2 GLU 49 7.921 1.036 17.184
326 HB3 GLU 859 HB3 GLU 49 9.082 1.016 15.909
327 HG2 GLU 859 HG2 GLU 49 9.423 3.507 16.253
328 HG3 GLU 859 HG3 GLU 49 8.348 3.407 17.634
329 H THR 860 H THR 50 7.559 0.238 13.573
330 HA THR 860 HA THR 50 5.405 -1.558 14.637
331 HB THR 860 HB THR 50 4.568 -2.098 12.536
332 HG1 THR 860 HG1 THR 50 5.460 -1.362 10.618
333 HG21 THR 860 HG21 THR 50 3.786 0.031 11.519
334 HG22 THR 860 HG22 THR 50 4.900 0.945 12.556
335 HG23 THR 860 HG23 THR 50 3.602 -0.001 13.283
336 H ASP 861 H ASP 51 6.185 -3.435 12.354
337 HA ASP 861 HA ASP 51 8.447 -4.778 13.618
338 HB2 ASP 861 HB2 ASP 51 6.509 -5.977 12.535
339 HB3 ASP 861 HB3 ASP 51 7.027 -5.325 10.985
340 H ILE 862 H ILE 52 7.817 -2.689 10.894
341 HA ILE 862 HA ILE 52 10.632 -2.753 10.019
342 HB ILE 862 HB ILE 52 8.133 -2.020 8.504
343 HG12 ILE 862 HG12 ILE 52 10.190 -4.297 8.418
344 HG13 ILE 862 HG13 ILE 52 8.488 -4.438 8.863
345 HG21 ILE 862 HG21 ILE 52 11.070 -1.843 7.755
346 HG22 ILE 862 HG22 ILE 52 9.921 -0.492 7.861
347 HG23 ILE 862 HG23 ILE 52 9.713 -1.699 6.599
348 HD11 ILE 862 HD11 ILE 52 9.614 -3.884 6.131
349 HD12 ILE 862 HD12 ILE 52 7.876 -3.749 6.543
350 HD13 ILE 862 HD13 ILE 52 8.722 -5.308 6.697
351 H HIS 863 H HIS 53 7.893 -0.640 10.884
352 HA HIS 863 HA HIS 53 9.354 1.814 10.448
353 HB2 HIS 863 HB2 HIS 53 7.255 1.998 9.971
354 HB3 HIS 863 HB3 HIS 53 6.547 1.004 11.053
355 HD1 HIS 863 HD1 HIS 53 4.845 3.114 10.902
356 HD2 HIS 863 HD2 HIS 53 8.642 3.949 12.332
357 HE1 HIS 863 HE1 HIS 53 5.732 5.045 9.534
358 H LYS 864 H LYS 54 10.581 2.973 11.863
359 HA LYS 864 HA LYS 54 10.583 2.213 14.735
360 HB2 LYS 864 HB2 LYS 54 13.108 2.305 13.050
361 HB3 LYS 864 HB3 LYS 54 12.986 2.042 14.760
362 HG2 LYS 864 HG2 LYS 54 11.814 0.148 12.642
363 HG3 LYS 864 HG3 LYS 54 13.328 -0.095 13.450
364 HD2 LYS 864 HD2 LYS 54 12.323 -0.627 15.526
365 HD3 LYS 864 HD3 LYS 54 10.819 0.072 15.086
366 HE2 LYS 864 HE2 LYS 54 10.514 -2.258 14.942
367 HE3 LYS 864 HE3 LYS 54 10.490 -1.626 13.304
368 HZ1 LYS 864 HZ1 LYS 54 12.866 -2.396 13.110
369 HZ2 LYS 864 HZ2 LYS 54 11.821 -3.621 13.373
370 HZ3 LYS 864 HZ3 LYS 54 12.759 -3.074 14.598
371 H GLU 865 H GLU 55 11.639 3.654 16.163
372 HA GLU 865 HA GLU 55 11.388 6.421 15.442
373 HB2 GLU 865 HB2 GLU 55 11.839 6.852 17.746
374 HB3 GLU 865 HB3 GLU 55 10.782 5.453 17.657
375 HG2 GLU 865 HG2 GLU 55 12.910 4.034 17.975
376 HG3 GLU 865 HG3 GLU 55 13.794 5.523 18.208
377 H ASP 866 H ASP 56 13.759 4.500 14.495
378 HA ASP 866 HA ASP 56 16.200 5.735 15.285
379 HB2 ASP 866 HB2 ASP 56 15.443 3.967 13.005
380 HB3 ASP 866 HB3 ASP 56 17.092 4.461 13.331
381 H HIS 867 H HIS 57 13.748 6.741 13.118
382 HA HIS 867 HA HIS 57 15.580 8.194 11.311
383 HB2 HIS 867 HB2 HIS 57 13.890 7.858 9.737
384 HB3 HIS 867 HB3 HIS 57 14.251 6.367 10.553
385 HD1 HIS 867 HD1 HIS 57 11.539 8.936 11.850
386 HD2 HIS 867 HD2 HIS 57 12.173 5.203 10.075
387 HE1 HIS 867 HE1 HIS 57 9.232 8.096 11.174
388 H GLN 868 H GLN 58 13.569 9.587 10.081
389 HA GLN 868 HA GLN 58 12.238 11.503 11.806
390 HB2 GLN 868 HB2 GLN 58 13.164 13.488 10.677
391 HB3 GLN 868 HB3 GLN 58 14.360 12.636 11.632
392 HG2 GLN 868 HG2 GLN 58 14.129 12.296 8.607
393 HG3 GLN 868 HG3 GLN 58 15.107 13.541 9.365
394 HE21 GLN 868 HE21 GLN 58 16.838 12.679 10.991
395 HE22 GLN 868 HE22 GLN 58 17.582 11.162 10.504
396 H LEU 869 H LEU 59 10.680 12.860 10.560
397 HA LEU 869 HA LEU 59 9.666 11.486 8.098
398 HB2 LEU 869 HB2 LEU 59 8.203 13.278 10.077
399 HB3 LEU 869 HB3 LEU 59 7.514 12.390 8.719
400 HG LEU 869 HG LEU 59 6.815 11.467 10.742
401 HD11 LEU 869 HD11 LEU 59 7.317 9.128 10.364
402 HD12 LEU 869 HD12 LEU 59 8.785 9.566 9.455
403 HD13 LEU 869 HD13 LEU 59 7.160 9.972 8.831
404 HD21 LEU 869 HD21 LEU 59 8.704 12.048 12.237
405 HD22 LEU 869 HD22 LEU 59 9.601 10.658 11.572
406 HD23 LEU 869 HD23 LEU 59 8.076 10.403 12.422
407 H GLU 870 H GLU 60 9.009 12.659 6.356
408 HA GLU 870 HA GLU 60 9.956 15.499 6.225
409 HB2 GLU 870 HB2 GLU 60 10.804 13.811 4.606
410 HB3 GLU 870 HB3 GLU 60 9.180 13.584 4.038
411 HG2 GLU 870 HG2 GLU 60 10.032 14.958 2.478
412 HG3 GLU 870 HG3 GLU 60 9.199 16.129 3.497
413 HA PRO 871 HA PRO 61 5.483 16.529 6.120
414 HB2 PRO 871 HB2 PRO 61 5.682 19.230 6.345
415 HB3 PRO 871 HB3 PRO 61 5.863 18.129 7.736
416 HG2 PRO 871 HG2 PRO 61 8.035 19.459 6.107
417 HG3 PRO 871 HG3 PRO 61 7.943 19.272 7.884
418 HD2 PRO 871 HD2 PRO 61 9.400 17.620 6.204
419 HD3 PRO 871 HD3 PRO 61 8.742 17.075 7.766
420 H ILE 872 H ILE 62 4.216 17.051 4.302
421 HA ILE 872 HA ILE 62 5.619 18.230 1.939
422 HB ILE 872 HB ILE 62 3.499 16.144 1.697
423 HG12 ILE 872 HG12 ILE 62 5.296 15.015 3.007
424 HG13 ILE 872 HG13 ILE 62 5.047 14.319 1.434
425 HG21 ILE 872 HG21 ILE 62 5.721 17.074 -0.178
426 HG22 ILE 872 HG22 ILE 62 4.054 17.615 -0.234
427 HG23 ILE 872 HG23 ILE 62 4.430 15.917 -0.571
428 HD11 ILE 872 HD11 ILE 62 7.261 16.308 1.988
429 HD12 ILE 872 HD12 ILE 62 7.043 15.307 0.540
430 HD13 ILE 872 HD13 ILE 62 7.440 14.545 2.093
431 H TYR 873 H TYR 63 4.788 20.051 1.543
432 HA TYR 873 HA TYR 63 2.139 20.825 2.513
433 HB2 TYR 873 HB2 TYR 63 4.521 22.476 1.594
434 HB3 TYR 873 HB3 TYR 63 3.009 23.128 2.194
435 HD1 TYR 873 HD1 TYR 63 6.268 21.917 3.158
436 HD2 TYR 873 HD2 TYR 63 2.220 22.457 4.557
437 HE1 TYR 873 HE1 TYR 63 7.062 21.818 5.510
438 HE2 TYR 873 HE2 TYR 63 3.013 22.344 6.908
439 HH TYR 873 HH TYR 63 6.482 22.049 7.749
440 H ARG 874 H ARG 64 2.800 19.315 -0.052
441 HA ARG 874 HA ARG 64 0.970 20.691 -1.860
442 HB2 ARG 874 HB2 ARG 64 2.584 20.733 -3.733
443 HB3 ARG 874 HB3 ARG 64 2.990 21.844 -2.419
444 HG2 ARG 874 HG2 ARG 64 4.779 20.385 -1.646
445 HG3 ARG 874 HG3 ARG 64 4.312 19.125 -2.808
446 HD2 ARG 874 HD2 ARG 64 4.768 20.658 -4.665
447 HD3 ARG 874 HD3 ARG 64 5.234 21.928 -3.507
448 HE ARG 874 HE ARG 64 6.797 19.576 -3.028
449 HH11 ARG 874 HH11 ARG 64 6.580 22.127 -5.419
450 HH12 ARG 874 HH12 ARG 64 8.256 21.971 -5.874
451 HH21 ARG 874 HH21 ARG 64 8.924 19.424 -3.665
452 HH22 ARG 874 HH22 ARG 64 9.543 20.480 -4.901
453 H1 ALA 1 H1 ALA 65 -0.110 4.818 4.084
454 H2 ALA 1 H2 ALA 65 1.444 5.040 3.642
455 H3 ALA 1 H3 ALA 65 1.090 3.991 4.854
456 HA ALA 1 HA ALA 65 1.644 2.834 2.808
457 HB1 ALA 1 HB1 ALA 65 -1.276 2.484 3.606
458 HB2 ALA 1 HB2 ALA 65 0.126 1.722 4.409
459 HB3 ALA 1 HB3 ALA 65 -0.271 1.304 2.741
460 H ARG 2 H ARG 66 1.049 2.293 0.599
461 HA ARG 2 HA ARG 66 -0.078 4.740 -0.734
462 HB2 ARG 2 HB2 ARG 66 1.981 2.810 -1.850
463 HB3 ARG 2 HB3 ARG 66 1.493 4.380 -2.504
464 HG2 ARG 2 HG2 ARG 66 3.001 3.844 0.079
465 HG3 ARG 2 HG3 ARG 66 3.655 4.549 -1.396
466 HD2 ARG 2 HD2 ARG 66 2.316 6.584 -1.066
467 HD3 ARG 2 HD3 ARG 66 1.442 5.839 0.274
468 HE ARG 2 HE ARG 66 3.055 6.338 1.734
469 HH11 ARG 2 HH11 ARG 66 4.688 6.661 -1.370
470 HH12 ARG 2 HH12 ARG 66 6.068 7.417 -0.639
471 HH21 ARG 2 HH21 ARG 66 4.633 7.462 2.524
472 HH22 ARG 2 HH22 ARG 66 6.100 7.770 1.614
473 H THR 3 H THR 67 -2.122 4.374 -1.090
474 HA THR 3 HA THR 67 -3.098 2.041 -2.639
475 HB THR 3 HB THR 67 -5.243 3.329 -2.591
476 HG1 THR 3 HG1 THR 67 -5.300 5.212 -1.355
477 HG21 THR 3 HG21 THR 67 -3.943 3.125 0.174
478 HG22 THR 3 HG22 THR 67 -4.666 1.763 -0.713
479 HG23 THR 3 HG23 THR 67 -5.676 3.124 -0.194
480 HH31 ALY 4 H26 ALY 68 2.139 6.455 -10.057
481 HH32 ALY 4 H27 ALY 68 3.079 7.734 -10.867
482 HH33 ALY 4 H28 ALY 68 1.334 7.580 -11.179
483 HZ ALY 4 HZ1 ALY 68 -0.019 7.602 -9.134
484 HE3 ALY 4 HE3 ALY 68 0.982 9.510 -7.048
485 HE2 ALY 4 HE2 ALY 68 -0.563 9.807 -7.862
486 HD3 ALY 4 HD3 ALY 68 -0.860 8.669 -5.702
487 HD2 ALY 4 HD2 ALY 68 -1.432 7.664 -7.048
488 HG3 ALY 4 HG3 ALY 68 0.626 6.297 -6.939
489 HG2 ALY 4 HG2 ALY 68 1.315 7.385 -5.735
490 HB3 ALY 4 HB3 ALY 68 0.521 5.345 -4.690
491 HB2 ALY 4 HB2 ALY 68 -0.355 6.747 -4.095
492 HCA ALY 4 HA ALY 68 -2.298 6.150 -5.525
493 H ALY 4 H ALY 68 -1.549 5.002 -3.217
494 H GLN 5 H GLN 69 -2.963 5.429 -7.419
495 HA GLN 5 HA GLN 69 -1.889 2.989 -8.686
496 HB2 GLN 5 HB2 GLN 69 -4.006 4.980 -9.608
497 HB3 GLN 5 HB3 GLN 69 -3.611 3.452 -10.401
498 HG2 GLN 5 HG2 GLN 69 -4.813 3.774 -7.611
499 HG3 GLN 5 HG3 GLN 69 -5.645 3.232 -9.060
500 HE21 GLN 5 HE21 GLN 69 -4.006 2.130 -6.283
501 HE22 GLN 5 HE22 GLN 69 -3.766 0.474 -6.833
502 H THR 6 H THR 70 -1.163 3.015 -10.944
503 HA THR 6 HA THR 70 0.926 4.969 -11.419
504 HB THR 6 HB THR 70 1.286 3.671 -13.507
505 HG1 THR 6 HG1 THR 70 0.024 1.832 -13.848
506 HG21 THR 6 HG21 THR 70 2.010 1.596 -12.455
507 HG22 THR 6 HG22 THR 70 0.971 1.900 -11.045
508 HG23 THR 6 HG23 THR 70 2.355 2.963 -11.380
509 H ALA 7 H ALA 71 -2.392 4.729 -12.470
510 HA ALA 7 HA ALA 71 -2.200 7.286 -13.900
511 HB1 ALA 7 HB1 ALA 71 -3.279 6.373 -15.938
512 HB2 ALA 7 HB2 ALA 71 -3.194 4.741 -15.257
513 HB3 ALA 7 HB3 ALA 71 -1.699 5.620 -15.655
514 H ARG 8 H ARG 72 -4.299 8.197 -14.400
515 HA ARG 8 HA ARG 72 -6.259 7.902 -12.290
516 HB2 ARG 8 HB2 ARG 72 -5.694 10.045 -13.282
517 HB3 ARG 8 HB3 ARG 72 -6.277 9.536 -14.860
518 HG2 ARG 8 HG2 ARG 72 -8.111 9.548 -12.430
519 HG3 ARG 8 HG3 ARG 72 -7.752 11.042 -13.280
520 HD2 ARG 8 HD2 ARG 72 -9.023 8.617 -14.621
521 HD3 ARG 8 HD3 ARG 72 -9.894 9.985 -13.958
522 HE ARG 8 HE ARG 72 -9.077 11.414 -15.630
523 HH11 ARG 8 HH11 ARG 72 -8.745 11.753 -17.771
524 HH12 ARG 8 HH12 ARG 72 -8.097 10.493 -18.776
525 HH21 ARG 8 HH21 ARG 72 -7.822 8.173 -16.250
526 HH22 ARG 8 HH22 ARG 72 -7.640 8.510 -17.953
Start of MODEL 3
1 H1 GLY 811 H1 GLY 1 -6.832 26.740 4.441
2 H2 GLY 811 H2 GLY 1 -7.580 25.380 3.918
3 H3 GLY 811 H3 GLY 1 -8.426 26.781 4.068
4 HA2 GLY 811 HA2 GLY 1 -7.988 26.402 1.736
5 HA3 GLY 811 HA3 GLY 1 -7.110 27.831 2.313
6 HA PRO 812 HA PRO 2 -4.314 24.875 0.002
7 HB2 PRO 812 HB2 PRO 2 -3.193 27.538 -0.869
8 HB3 PRO 812 HB3 PRO 2 -3.348 25.997 -1.782
9 HG2 PRO 812 HG2 PRO 2 -5.155 27.987 -2.158
10 HG3 PRO 812 HG3 PRO 2 -5.721 26.293 -1.999
11 HD2 PRO 812 HD2 PRO 2 -5.664 28.461 0.117
12 HD3 PRO 812 HD3 PRO 2 -6.979 27.318 -0.291
13 H LEU 813 H LEU 3 -2.115 24.365 0.297
14 HA LEU 813 HA LEU 3 -0.347 23.835 1.576
15 HB2 LEU 813 HB2 LEU 3 -0.323 26.635 2.705
16 HB3 LEU 813 HB3 LEU 3 1.005 25.496 2.645
17 HG LEU 813 HG LEU 3 -0.284 26.775 0.183
18 HD11 LEU 813 HD11 LEU 3 1.743 28.157 0.115
19 HD12 LEU 813 HD12 LEU 3 2.303 27.436 1.642
20 HD13 LEU 813 HD13 LEU 3 0.827 28.430 1.609
21 HD21 LEU 813 HD21 LEU 3 2.317 25.214 0.489
22 HD22 LEU 813 HD22 LEU 3 1.711 25.968 -0.999
23 HD23 LEU 813 HD23 LEU 3 0.841 24.602 -0.298
24 H GLY 814 H GLY 4 -3.100 25.155 3.291
25 HA2 GLY 814 HA2 GLY 4 -2.405 23.662 5.777
26 HA3 GLY 814 HA3 GLY 4 -3.660 24.878 5.567
27 H SER 815 H SER 5 -4.292 23.169 2.937
28 HA SER 815 HA SER 5 -5.946 21.082 4.226
29 HB2 SER 815 HB2 SER 5 -6.967 23.136 2.246
30 HB3 SER 815 HB3 SER 5 -7.919 21.873 3.036
31 HG SER 815 HG SER 5 -7.567 22.893 5.038
32 H VAL 816 H VAL 6 -3.516 20.861 2.428
33 HA VAL 816 HA VAL 6 -4.211 20.072 -0.214
34 HB VAL 816 HB VAL 6 -1.960 19.288 1.675
35 HG11 VAL 816 HG11 VAL 6 -0.581 18.765 -0.146
36 HG12 VAL 816 HG12 VAL 6 -1.889 19.140 -1.318
37 HG13 VAL 816 HG13 VAL 6 -2.033 17.768 -0.185
38 HG21 VAL 816 HG21 VAL 6 -0.635 21.057 0.705
39 HG22 VAL 816 HG22 VAL 6 -2.122 21.782 1.275
40 HG23 VAL 816 HG23 VAL 6 -1.920 21.464 -0.464
41 H GLN 817 H GLN 7 -5.023 18.244 -1.049
42 HA GLN 817 HA GLN 7 -5.659 16.011 0.777
43 HB2 GLN 817 HB2 GLN 7 -6.959 15.206 -1.144
44 HB3 GLN 817 HB3 GLN 7 -7.448 16.781 -0.540
45 HG2 GLN 817 HG2 GLN 7 -7.357 17.660 -2.562
46 HG3 GLN 817 HG3 GLN 7 -5.640 17.351 -2.658
47 HE21 GLN 817 HE21 GLN 7 -4.989 15.126 -3.366
48 HE22 GLN 817 HE22 GLN 7 -5.953 14.400 -4.665
49 H HIS 818 H HIS 8 -4.439 14.232 0.997
50 HA HIS 818 HA HIS 8 -2.545 13.491 -1.178
51 HB2 HIS 818 HB2 HIS 8 -2.442 12.296 1.567
52 HB3 HIS 818 HB3 HIS 8 -1.156 12.575 0.399
53 HD2 HIS 818 HD2 HIS 8 -0.738 15.418 -0.051
54 HE1 HIS 818 HE1 HIS 8 -1.959 16.411 3.892
55 HE2 HIS 818 HE2 HIS 8 -0.833 17.306 1.763
56 H VAL 819 H VAL 9 -4.847 12.834 -2.148
57 HA VAL 819 HA VAL 9 -5.967 10.289 -1.512
58 HB VAL 819 HB VAL 9 -5.821 11.718 -4.134
59 HG11 VAL 819 HG11 VAL 9 -6.171 9.333 -4.609
60 HG12 VAL 819 HG12 VAL 9 -7.672 10.228 -4.834
61 HG13 VAL 819 HG13 VAL 9 -7.446 9.259 -3.361
62 HG21 VAL 819 HG21 VAL 9 -8.048 11.340 -2.076
63 HG22 VAL 819 HG22 VAL 9 -8.198 12.224 -3.612
64 HG23 VAL 819 HG23 VAL 9 -7.144 12.847 -2.337
65 H GLY 820 H GLY 10 -5.271 8.299 -1.644
66 HA2 GLY 820 HA2 GLY 10 -3.920 6.505 -2.419
67 HA3 GLY 820 HA3 GLY 10 -2.792 7.650 -3.132
68 H PHE 821 H PHE 11 -3.410 8.817 0.001
69 HA PHE 821 HA PHE 11 -1.413 7.023 1.320
70 HB2 PHE 821 HB2 PHE 11 -1.321 10.047 1.442
71 HB3 PHE 821 HB3 PHE 11 -0.157 8.894 2.070
72 HD1 PHE 821 HD1 PHE 11 -1.265 10.796 -0.797
73 HD2 PHE 821 HD2 PHE 11 1.435 7.746 0.537
74 HE1 PHE 821 HE1 PHE 11 0.084 11.142 -2.836
75 HE2 PHE 821 HE2 PHE 11 2.724 7.971 -1.589
76 HZ PHE 821 HZ PHE 11 2.082 9.753 -3.231
77 H LYS 822 H LYS 12 -3.018 6.068 2.553
78 HA LYS 822 HA LYS 12 -4.628 7.659 4.508
79 HB2 LYS 822 HB2 LYS 12 -5.823 5.870 3.573
80 HB3 LYS 822 HB3 LYS 12 -4.507 4.795 3.605
81 HG2 LYS 822 HG2 LYS 12 -5.170 5.365 6.401
82 HG3 LYS 822 HG3 LYS 12 -6.641 5.219 5.541
83 HD2 LYS 822 HD2 LYS 12 -6.226 3.156 6.469
84 HD3 LYS 822 HD3 LYS 12 -5.967 2.963 4.723
85 HE2 LYS 822 HE2 LYS 12 -3.505 3.109 5.108
86 HE3 LYS 822 HE3 LYS 12 -3.794 3.360 6.841
87 HZ1 LYS 822 HZ1 LYS 12 -3.296 1.006 6.376
88 HZ2 LYS 822 HZ2 LYS 12 -4.561 0.886 5.342
89 HZ3 LYS 822 HZ3 LYS 12 -4.821 1.138 6.933
90 H CYS 823 H CYS 13 -4.074 7.766 6.687
91 HA CYS 823 HA CYS 13 -1.297 7.635 7.374
92 HB2 CYS 823 HB2 CYS 13 -2.925 9.296 8.192
93 HB3 CYS 823 HB3 CYS 13 -3.815 8.011 8.978
94 H ASP 824 H ASP 14 -0.312 6.496 8.987
95 HA ASP 824 HA ASP 14 -1.243 3.698 9.505
96 HB2 ASP 824 HB2 ASP 14 1.486 5.027 9.694
97 HB3 ASP 824 HB3 ASP 14 1.146 3.365 10.154
98 H ASN 825 H ASN 15 -0.363 6.706 11.114
99 HA ASN 825 HA ASN 15 -0.155 5.636 13.779
100 HB2 ASN 825 HB2 ASN 15 0.684 7.854 13.054
101 HB3 ASN 825 HB3 ASN 15 -0.988 8.433 12.913
102 HD21 ASN 825 HD21 ASN 15 -0.903 9.980 14.551
103 HD22 ASN 825 HD22 ASN 15 -0.650 9.534 16.249
104 H CYS 826 H CYS 16 -2.914 7.419 12.281
105 HA CYS 826 HA CYS 16 -4.684 6.315 14.372
106 HB2 CYS 826 HB2 CYS 16 -5.877 8.302 14.292
107 HB3 CYS 826 HB3 CYS 16 -4.187 8.804 14.248
108 H GLY 827 H GLY 17 -4.156 6.130 10.969
109 HA2 GLY 827 HA2 GLY 17 -4.994 4.580 9.565
110 HA3 GLY 827 HA3 GLY 17 -6.215 4.106 10.712
111 H ILE 828 H ILE 18 -6.086 7.537 10.208
112 HA ILE 828 HA ILE 18 -8.553 7.703 8.893
113 HB ILE 828 HB ILE 18 -7.596 9.579 10.114
114 HG12 ILE 828 HG12 ILE 18 -7.871 10.391 7.186
115 HG13 ILE 828 HG13 ILE 18 -9.237 9.936 8.164
116 HG21 ILE 828 HG21 ILE 18 -5.805 10.947 9.205
117 HG22 ILE 828 HG22 ILE 18 -5.540 9.840 7.852
118 HG23 ILE 828 HG23 ILE 18 -5.205 9.340 9.510
119 HD11 ILE 828 HD11 ILE 18 -8.718 11.780 9.762
120 HD12 ILE 828 HD12 ILE 18 -9.139 12.309 8.126
121 HD13 ILE 828 HD13 ILE 18 -7.449 12.336 8.638
122 H GLU 829 H GLU 19 -9.093 7.866 6.830
123 HA GLU 829 HA GLU 19 -7.774 6.643 4.634
124 HB2 GLU 829 HB2 GLU 19 -9.676 8.779 4.116
125 HB3 GLU 829 HB3 GLU 19 -9.659 7.135 3.496
126 HG2 GLU 829 HG2 GLU 19 -10.818 8.059 6.129
127 HG3 GLU 829 HG3 GLU 19 -11.693 7.503 4.714
128 HA PRO 830 HA PRO 20 -5.196 9.355 2.384
129 HB2 PRO 830 HB2 PRO 20 -7.560 10.746 1.120
130 HB3 PRO 830 HB3 PRO 20 -5.910 10.476 0.477
131 HG2 PRO 830 HG2 PRO 20 -7.920 8.787 -0.135
132 HG3 PRO 830 HG3 PRO 20 -6.283 8.164 0.234
133 HD2 PRO 830 HD2 PRO 20 -8.755 8.250 1.940
134 HD3 PRO 830 HD3 PRO 20 -7.423 7.052 1.981
135 H ILE 831 H ILE 21 -4.075 10.656 3.554
136 HA ILE 831 HA ILE 21 -5.016 12.317 5.571
137 HB ILE 831 HB ILE 21 -2.337 12.240 4.152
138 HG12 ILE 831 HG12 ILE 21 -2.926 11.114 6.912
139 HG13 ILE 831 HG13 ILE 21 -3.349 10.175 5.507
140 HG21 ILE 831 HG21 ILE 21 -1.325 13.269 6.187
141 HG22 ILE 831 HG22 ILE 21 -2.949 13.541 6.849
142 HG23 ILE 831 HG23 ILE 21 -2.399 14.392 5.394
143 HD11 ILE 831 HD11 ILE 21 -1.056 10.250 4.659
144 HD12 ILE 831 HD12 ILE 21 -1.141 9.537 6.285
145 HD13 ILE 831 HD13 ILE 21 -0.547 11.187 6.074
146 H GLN 832 H GLN 22 -4.923 14.550 5.984
147 HA GLN 832 HA GLN 22 -5.050 16.245 3.531
148 HB2 GLN 832 HB2 GLN 22 -6.880 16.500 5.948
149 HB3 GLN 832 HB3 GLN 22 -6.971 17.419 4.452
150 HG2 GLN 832 HG2 GLN 22 -7.442 14.399 4.628
151 HG3 GLN 832 HG3 GLN 22 -8.687 15.596 4.777
152 HE21 GLN 832 HE21 GLN 22 -7.633 13.465 2.586
153 HE22 GLN 832 HE22 GLN 22 -8.089 14.356 1.132
154 H GLY 833 H GLY 23 -4.072 18.113 3.552
155 HA2 GLY 833 HA2 GLY 23 -3.685 20.270 4.742
156 HA3 GLY 833 HA3 GLY 23 -3.061 19.369 6.078
157 H VAL 834 H VAL 24 -1.261 17.862 5.525
158 HA VAL 834 HA VAL 24 0.606 18.581 3.420
159 HB VAL 834 HB VAL 24 0.958 20.107 5.358
160 HG11 VAL 834 HG11 VAL 24 1.773 17.673 6.907
161 HG12 VAL 834 HG12 VAL 24 0.257 18.599 7.126
162 HG13 VAL 834 HG13 VAL 24 1.827 19.372 7.449
163 HG21 VAL 834 HG21 VAL 24 3.407 19.734 5.645
164 HG22 VAL 834 HG22 VAL 24 2.914 19.594 3.957
165 HG23 VAL 834 HG23 VAL 24 3.242 18.128 4.919
166 H ARG 835 H ARG 25 1.756 16.658 2.809
167 HA ARG 835 HA ARG 25 0.829 14.161 4.111
168 HB2 ARG 835 HB2 ARG 25 1.207 14.436 1.553
169 HB3 ARG 835 HB3 ARG 25 2.921 14.410 1.949
170 HG2 ARG 835 HG2 ARG 25 2.663 12.168 2.965
171 HG3 ARG 835 HG3 ARG 25 0.964 12.151 2.460
172 HD2 ARG 835 HD2 ARG 25 1.563 12.026 0.157
173 HD3 ARG 835 HD3 ARG 25 3.197 12.643 0.462
174 HE ARG 835 HE ARG 25 2.491 10.067 1.747
175 HH11 ARG 835 HH11 ARG 25 4.282 11.385 -1.005
176 HH12 ARG 835 HH12 ARG 25 5.364 10.023 -0.974
177 HH21 ARG 835 HH21 ARG 25 3.763 8.540 1.701
178 HH22 ARG 835 HH22 ARG 25 5.201 8.498 0.681
179 H TRP 836 H TRP 26 2.379 12.648 5.085
180 HA TRP 836 HA TRP 26 5.085 13.792 5.624
181 HB2 TRP 836 HB2 TRP 26 3.430 12.514 7.808
182 HB3 TRP 836 HB3 TRP 26 5.131 12.721 7.827
183 HD1 TRP 836 HD1 TRP 26 2.056 14.971 8.016
184 HE1 TRP 836 HE1 TRP 26 2.841 17.267 8.970
185 HE3 TRP 836 HE3 TRP 26 7.085 14.430 7.487
186 HZ2 TRP 836 HZ2 TRP 26 5.316 18.470 9.772
187 HZ3 TRP 836 HZ3 TRP 26 8.662 16.059 8.475
188 HH2 TRP 836 HH2 TRP 26 7.797 18.060 9.663
189 H HIS 837 H HIS 27 6.070 12.692 4.179
190 HA HIS 837 HA HIS 27 5.617 9.786 3.745
191 HB2 HIS 837 HB2 HIS 27 5.836 11.161 1.785
192 HB3 HIS 837 HB3 HIS 27 7.278 11.948 2.387
193 HD2 HIS 837 HD2 HIS 27 9.573 10.943 1.727
194 HE1 HIS 837 HE1 HIS 27 8.289 7.183 0.181
195 HE2 HIS 837 HE2 HIS 27 10.285 8.727 0.487
196 H CYS 838 H CYS 28 6.627 8.402 5.082
197 HA CYS 838 HA CYS 28 8.885 8.937 6.693
198 HB2 CYS 838 HB2 CYS 28 7.438 6.554 5.634
199 HB3 CYS 838 HB3 CYS 28 9.074 6.319 6.276
200 H GLN 839 H GLN 29 11.004 9.197 6.280
201 HA GLN 839 HA GLN 29 11.910 9.098 3.526
202 HB2 GLN 839 HB2 GLN 29 13.361 9.840 6.087
203 HB3 GLN 839 HB3 GLN 29 14.004 10.034 4.463
204 HG2 GLN 839 HG2 GLN 29 11.692 11.334 4.059
205 HG3 GLN 839 HG3 GLN 29 11.744 11.539 5.797
206 HE21 GLN 839 HE21 GLN 29 12.099 13.843 5.802
207 HE22 GLN 839 HE22 GLN 29 13.458 14.559 4.967
208 H ASP 840 H ASP 30 12.485 7.113 6.398
209 HA ASP 840 HA ASP 30 14.691 5.663 4.977
210 HB2 ASP 840 HB2 ASP 30 15.129 6.730 7.164
211 HB3 ASP 840 HB3 ASP 30 13.892 5.711 7.889
212 H CYS 841 H CYS 31 11.486 5.126 6.410
213 HA CYS 841 HA CYS 31 11.553 2.287 6.283
214 HB2 CYS 841 HB2 CYS 31 9.111 4.096 6.140
215 HB3 CYS 841 HB3 CYS 31 9.159 2.384 6.506
216 HA PRO 842 HA PRO 32 11.886 1.695 2.036
217 HB2 PRO 842 HB2 PRO 32 11.010 -0.854 1.572
218 HB3 PRO 842 HB3 PRO 32 12.427 -0.471 2.593
219 HG2 PRO 842 HG2 PRO 32 9.574 -0.996 3.503
220 HG3 PRO 842 HG3 PRO 32 11.088 -1.740 4.118
221 HD2 PRO 842 HD2 PRO 32 9.919 0.403 5.350
222 HD3 PRO 842 HD3 PRO 32 11.683 0.209 5.278
223 HA PRO 843 HA PRO 33 8.337 2.831 -0.410
224 HB2 PRO 843 HB2 PRO 33 9.496 0.932 -2.469
225 HB3 PRO 843 HB3 PRO 33 8.841 2.586 -2.701
226 HG2 PRO 843 HG2 PRO 33 11.508 2.228 -2.566
227 HG3 PRO 843 HG3 PRO 33 10.764 3.560 -1.622
228 HD2 PRO 843 HD2 PRO 33 11.597 0.804 -0.660
229 HD3 PRO 843 HD3 PRO 33 11.890 2.406 0.083
230 H GLU 844 H GLU 34 9.059 -0.656 -0.270
231 HA GLU 844 HA GLU 34 6.554 -1.721 -1.019
232 HB2 GLU 844 HB2 GLU 34 8.588 -3.029 -0.719
233 HB3 GLU 844 HB3 GLU 34 8.581 -2.719 1.025
234 HG2 GLU 844 HG2 GLU 34 6.573 -4.047 1.321
235 HG3 GLU 844 HG3 GLU 34 6.290 -4.106 -0.420
236 H MET 845 H MET 35 7.593 -0.433 2.112
237 HA MET 845 HA MET 35 4.964 -0.922 3.389
238 HB2 MET 845 HB2 MET 35 7.518 0.398 4.369
239 HB3 MET 845 HB3 MET 35 6.021 0.354 5.300
240 HG2 MET 845 HG2 MET 35 7.439 -2.128 4.278
241 HG3 MET 845 HG3 MET 35 7.666 -1.443 5.884
242 HE1 MET 845 HE1 MET 35 5.998 -1.538 7.848
243 HE2 MET 845 HE2 MET 35 4.342 -2.160 7.749
244 HE3 MET 845 HE3 MET 35 4.746 -0.634 6.956
245 H SER 846 H SER 36 6.894 1.834 2.256
246 HA SER 846 HA SER 36 6.582 4.083 2.402
247 HB2 SER 846 HB2 SER 36 6.119 3.460 0.129
248 HB3 SER 846 HB3 SER 36 4.396 3.314 0.480
249 HG SER 846 HG SER 36 5.101 5.409 -0.404
250 H LEU 847 H LEU 37 6.148 4.357 4.501
251 HA LEU 847 HA LEU 37 3.442 4.302 5.587
252 HB2 LEU 847 HB2 LEU 37 6.223 4.739 6.693
253 HB3 LEU 847 HB3 LEU 37 4.852 5.128 7.645
254 HG LEU 847 HG LEU 37 4.607 2.414 6.374
255 HD11 LEU 847 HD11 LEU 37 6.920 2.404 6.272
256 HD12 LEU 847 HD12 LEU 37 6.452 1.351 7.614
257 HD13 LEU 847 HD13 LEU 37 7.093 2.992 7.936
258 HD21 LEU 847 HD21 LEU 37 3.311 2.193 8.108
259 HD22 LEU 847 HD22 LEU 37 4.001 3.547 8.982
260 HD23 LEU 847 HD23 LEU 37 4.757 1.909 9.058
261 H ASP 848 H ASP 38 2.478 6.077 6.829
262 HA ASP 848 HA ASP 38 3.197 8.770 5.915
263 HB2 ASP 848 HB2 ASP 38 0.464 7.620 5.311
264 HB3 ASP 848 HB3 ASP 38 1.019 9.277 5.049
265 H PHE 849 H PHE 39 2.421 10.430 7.140
266 HA PHE 849 HA PHE 39 0.492 9.821 9.331
267 HB2 PHE 849 HB2 PHE 39 3.034 11.439 9.823
268 HB3 PHE 849 HB3 PHE 39 1.755 11.045 10.918
269 HD1 PHE 849 HD1 PHE 39 4.370 9.258 8.766
270 HD2 PHE 849 HD2 PHE 39 2.046 9.346 12.400
271 HE1 PHE 849 HE1 PHE 39 5.443 7.256 9.507
272 HE2 PHE 849 HE2 PHE 39 3.090 7.231 13.129
273 HZ PHE 849 HZ PHE 39 4.775 6.090 11.684
274 H CYS 850 H CYS 40 -0.912 11.458 9.951
275 HA CYS 850 HA CYS 40 -1.324 13.744 8.359
276 HB2 CYS 850 HB2 CYS 40 -2.131 13.203 11.235
277 HB3 CYS 850 HB3 CYS 40 -2.925 14.329 10.139
278 H ASP 851 H ASP 41 -1.423 16.033 9.249
279 HA ASP 851 HA ASP 41 1.056 17.120 9.966
280 HB2 ASP 851 HB2 ASP 41 -0.073 19.162 10.212
281 HB3 ASP 851 HB3 ASP 41 -0.912 18.298 8.937
282 H SER 852 H SER 42 -1.456 15.891 12.093
283 HA SER 852 HA SER 42 -0.105 16.781 14.541
284 HB2 SER 852 HB2 SER 42 -2.563 16.791 14.394
285 HB3 SER 852 HB3 SER 42 -2.553 15.034 14.138
286 HG SER 852 HG SER 42 -2.930 15.664 16.356
287 H CYS 853 H CYS 43 -0.645 13.721 12.759
288 HA CYS 853 HA CYS 43 0.289 11.969 14.801
289 HB2 CYS 853 HB2 CYS 43 -0.241 11.736 11.843
290 HB3 CYS 853 HB3 CYS 43 0.165 10.382 12.872
291 H SER 854 H SER 44 1.842 13.662 12.141
292 HA SER 854 HA SER 44 4.193 12.083 11.810
293 HB2 SER 854 HB2 SER 44 5.041 14.061 10.695
294 HB3 SER 854 HB3 SER 44 3.325 13.890 10.327
295 HG SER 854 HG SER 44 3.883 16.051 10.938
296 H ASP 855 H ASP 45 3.270 14.236 14.350
297 HA ASP 855 HA ASP 45 5.949 14.534 15.479
298 HB2 ASP 855 HB2 ASP 45 4.126 16.316 15.565
299 HB3 ASP 855 HB3 ASP 45 3.267 15.279 16.703
300 H CYS 856 H CYS 46 3.644 12.055 15.431
301 HA CYS 856 HA CYS 46 3.707 11.347 18.226
302 HB2 CYS 856 HB2 CYS 46 1.820 11.008 16.435
303 HB3 CYS 856 HB3 CYS 46 2.731 9.576 15.950
304 HG CYS 856 HG CYS 46 2.812 8.469 18.349
305 H LEU 857 H LEU 47 5.756 10.628 15.614
306 HA LEU 857 HA LEU 47 7.565 9.327 15.314
307 HB2 LEU 857 HB2 LEU 47 8.160 10.994 17.044
308 HB3 LEU 857 HB3 LEU 47 7.864 9.814 18.301
309 HG LEU 857 HG LEU 47 9.723 8.446 17.648
310 HD11 LEU 857 HD11 LEU 47 9.600 8.376 15.264
311 HD12 LEU 857 HD12 LEU 47 11.165 9.131 15.640
312 HD13 LEU 857 HD13 LEU 47 9.815 10.147 15.121
313 HD21 LEU 857 HD21 LEU 47 10.277 10.506 18.888
314 HD22 LEU 857 HD22 LEU 47 10.567 11.356 17.351
315 HD23 LEU 857 HD23 LEU 47 11.602 9.990 17.834
316 H HIS 858 H HIS 48 6.213 7.535 14.739
317 HA HIS 858 HA HIS 48 5.806 5.462 16.780
318 HB2 HIS 858 HB2 HIS 48 3.883 6.395 15.449
319 HB3 HIS 858 HB3 HIS 48 4.635 5.726 13.999
320 HD2 HIS 858 HD2 HIS 48 3.957 3.318 13.366
321 HE1 HIS 858 HE1 HIS 48 2.255 2.046 17.069
322 HE2 HIS 858 HE2 HIS 48 2.639 1.405 14.641
323 H GLU 859 H GLU 49 5.970 3.226 16.289
324 HA GLU 859 HA GLU 49 7.985 2.513 14.275
325 HB2 GLU 859 HB2 GLU 49 8.319 1.470 17.100
326 HB3 GLU 859 HB3 GLU 49 9.418 1.419 15.773
327 HG2 GLU 859 HG2 GLU 49 9.627 3.942 15.913
328 HG3 GLU 859 HG3 GLU 49 8.606 3.903 17.335
329 H THR 860 H THR 50 7.831 0.451 13.483
330 HA THR 860 HA THR 50 5.726 -1.375 14.619
331 HB THR 860 HB THR 50 4.864 -1.950 12.538
332 HG1 THR 860 HG1 THR 50 5.728 -1.301 10.602
333 HG21 THR 860 HG21 THR 50 3.855 0.130 13.201
334 HG22 THR 860 HG22 THR 50 4.106 0.165 11.448
335 HG23 THR 860 HG23 THR 50 5.161 1.098 12.525
336 H ASP 861 H ASP 51 6.499 -3.274 12.368
337 HA ASP 861 HA ASP 51 8.797 -4.566 13.617
338 HB2 ASP 861 HB2 ASP 51 6.836 -5.805 12.646
339 HB3 ASP 861 HB3 ASP 51 7.291 -5.208 11.051
340 H ILE 862 H ILE 52 8.104 -2.502 10.888
341 HA ILE 862 HA ILE 52 10.911 -2.566 9.975
342 HB ILE 862 HB ILE 52 8.390 -2.009 8.429
343 HG12 ILE 862 HG12 ILE 52 10.570 -4.168 8.408
344 HG13 ILE 862 HG13 ILE 52 8.896 -4.393 8.933
345 HG21 ILE 862 HG21 ILE 52 10.008 -1.723 6.507
346 HG22 ILE 862 HG22 ILE 52 11.331 -1.707 7.699
347 HG23 ILE 862 HG23 ILE 52 10.095 -0.429 7.694
348 HD11 ILE 862 HD11 ILE 52 9.872 -3.892 6.129
349 HD12 ILE 862 HD12 ILE 52 8.148 -3.854 6.628
350 HD13 ILE 862 HD13 ILE 52 9.105 -5.346 6.788
351 H HIS 863 H HIS 53 8.141 -0.513 10.836
352 HA HIS 863 HA HIS 53 9.510 1.967 10.272
353 HB2 HIS 863 HB2 HIS 53 7.393 2.097 9.841
354 HB3 HIS 863 HB3 HIS 53 6.732 1.128 10.976
355 HD1 HIS 863 HD1 HIS 53 4.978 3.225 10.868
356 HD2 HIS 863 HD2 HIS 53 8.800 4.158 12.138
357 HE1 HIS 863 HE1 HIS 53 5.807 5.088 9.375
358 H LYS 864 H LYS 54 10.731 3.202 11.583
359 HA LYS 864 HA LYS 54 10.825 2.618 14.490
360 HB2 LYS 864 HB2 LYS 54 13.319 2.702 12.754
361 HB3 LYS 864 HB3 LYS 54 13.224 2.481 14.474
362 HG2 LYS 864 HG2 LYS 54 12.095 0.517 12.409
363 HG3 LYS 864 HG3 LYS 54 13.605 0.321 13.220
364 HD2 LYS 864 HD2 LYS 54 12.687 -0.181 15.294
365 HD3 LYS 864 HD3 LYS 54 11.122 0.445 14.920
366 HE2 LYS 864 HE2 LYS 54 10.648 -1.318 13.344
367 HE3 LYS 864 HE3 LYS 54 12.320 -1.851 13.329
368 HZ1 LYS 864 HZ1 LYS 54 11.978 -2.428 15.774
369 HZ2 LYS 864 HZ2 LYS 54 11.115 -3.336 14.728
370 HZ3 LYS 864 HZ3 LYS 54 10.364 -2.143 15.542
371 H GLU 865 H GLU 55 11.857 4.232 15.793
372 HA GLU 865 HA GLU 55 11.526 6.918 14.818
373 HB2 GLU 865 HB2 GLU 55 12.002 7.583 17.064
374 HB3 GLU 865 HB3 GLU 55 10.953 6.181 17.113
375 HG2 GLU 865 HG2 GLU 55 13.064 4.797 17.572
376 HG3 GLU 865 HG3 GLU 55 13.973 6.296 17.610
377 H ASP 866 H ASP 56 13.957 4.948 14.064
378 HA ASP 866 HA ASP 56 16.330 6.311 14.798
379 HB2 ASP 866 HB2 ASP 56 15.958 3.885 14.145
380 HB3 ASP 866 HB3 ASP 56 15.951 4.469 12.486
381 H HIS 867 H HIS 57 13.966 7.045 12.492
382 HA HIS 867 HA HIS 57 15.774 8.274 10.508
383 HB2 HIS 867 HB2 HIS 57 14.009 7.845 9.016
384 HB3 HIS 867 HB3 HIS 57 14.399 6.425 9.920
385 HD1 HIS 867 HD1 HIS 57 11.774 9.084 11.217
386 HD2 HIS 867 HD2 HIS 57 12.268 5.266 9.578
387 HE1 HIS 867 HE1 HIS 57 9.425 8.248 10.689
388 H GLN 868 H GLN 58 13.691 9.587 9.220
389 HA GLN 868 HA GLN 58 12.468 11.666 10.825
390 HB2 GLN 868 HB2 GLN 58 13.306 13.527 9.488
391 HB3 GLN 868 HB3 GLN 58 14.617 12.745 10.347
392 HG2 GLN 868 HG2 GLN 58 13.986 12.182 7.406
393 HG3 GLN 868 HG3 GLN 58 15.080 13.449 7.938
394 HE21 GLN 868 HE21 GLN 58 16.983 12.663 9.390
395 HE22 GLN 868 HE22 GLN 58 17.630 11.093 8.939
396 H LEU 869 H LEU 59 10.849 12.885 9.551
397 HA LEU 869 HA LEU 59 9.684 11.292 7.287
398 HB2 LEU 869 HB2 LEU 59 8.409 13.367 9.114
399 HB3 LEU 869 HB3 LEU 59 7.608 12.374 7.895
400 HG LEU 869 HG LEU 59 6.970 11.688 10.033
401 HD11 LEU 869 HD11 LEU 59 7.426 9.305 9.925
402 HD12 LEU 869 HD12 LEU 59 8.857 9.603 8.912
403 HD13 LEU 869 HD13 LEU 59 7.213 9.949 8.302
404 HD21 LEU 869 HD21 LEU 59 8.266 10.795 11.774
405 HD22 LEU 869 HD22 LEU 59 8.955 12.376 11.372
406 HD23 LEU 869 HD23 LEU 59 9.762 10.876 10.844
407 H GLU 870 H GLU 60 8.745 12.485 5.520
408 HA GLU 870 HA GLU 60 10.024 15.159 5.056
409 HB2 GLU 870 HB2 GLU 60 10.629 13.259 3.537
410 HB3 GLU 870 HB3 GLU 60 8.957 13.161 3.071
411 HG2 GLU 870 HG2 GLU 60 9.928 14.297 1.382
412 HG3 GLU 870 HG3 GLU 60 9.177 15.608 2.288
413 HA PRO 871 HA PRO 61 5.697 16.566 5.191
414 HB2 PRO 871 HB2 PRO 61 6.112 19.260 5.233
415 HB3 PRO 871 HB3 PRO 61 6.326 18.225 6.663
416 HG2 PRO 871 HG2 PRO 61 8.438 19.303 4.796
417 HG3 PRO 871 HG3 PRO 61 8.495 19.172 6.576
418 HD2 PRO 871 HD2 PRO 61 9.648 17.360 4.803
419 HD3 PRO 871 HD3 PRO 61 9.155 16.931 6.460
420 H ILE 872 H ILE 62 4.314 16.982 3.429
421 HA ILE 872 HA ILE 62 5.517 18.207 0.974
422 HB ILE 872 HB ILE 62 3.416 16.102 0.806
423 HG12 ILE 872 HG12 ILE 62 5.261 14.971 2.080
424 HG13 ILE 872 HG13 ILE 62 4.818 14.257 0.559
425 HG21 ILE 872 HG21 ILE 62 4.341 15.799 -1.467
426 HG22 ILE 872 HG22 ILE 62 5.580 17.029 -1.128
427 HG23 ILE 872 HG23 ILE 62 3.873 17.474 -1.167
428 HD11 ILE 872 HD11 ILE 62 7.197 16.123 0.854
429 HD12 ILE 872 HD12 ILE 62 6.798 15.095 -0.537
430 HD13 ILE 872 HD13 ILE 62 7.286 14.347 1.000
431 H TYR 873 H TYR 63 4.496 19.944 0.363
432 HA TYR 873 HA TYR 63 1.914 20.604 1.590
433 HB2 TYR 873 HB2 TYR 63 4.126 22.300 0.399
434 HB3 TYR 873 HB3 TYR 63 2.594 22.931 0.977
435 HD1 TYR 873 HD1 TYR 63 1.960 22.836 3.370
436 HD2 TYR 873 HD2 TYR 63 5.857 21.562 2.013
437 HE1 TYR 873 HE1 TYR 63 2.801 22.945 5.701
438 HE2 TYR 873 HE2 TYR 63 6.697 21.659 4.355
439 HH TYR 873 HH TYR 63 4.634 22.717 7.094
440 H ARG 874 H ARG 64 2.387 18.919 -0.852
441 HA ARG 874 HA ARG 64 0.204 19.912 -2.483
442 HB2 ARG 874 HB2 ARG 64 1.468 19.888 -4.616
443 HB3 ARG 874 HB3 ARG 64 1.965 21.182 -3.534
444 HG2 ARG 874 HG2 ARG 64 3.996 19.979 -2.901
445 HG3 ARG 874 HG3 ARG 64 3.470 18.545 -3.802
446 HD2 ARG 874 HD2 ARG 64 3.532 19.847 -5.901
447 HD3 ARG 874 HD3 ARG 64 4.042 21.285 -4.989
448 HE ARG 874 HE ARG 64 5.849 19.135 -4.447
449 HH11 ARG 874 HH11 ARG 64 7.869 19.042 -5.357
450 HH12 ARG 874 HH12 ARG 64 8.215 19.926 -6.813
451 HH21 ARG 874 HH21 ARG 64 5.079 21.276 -7.115
452 HH22 ARG 874 HH22 ARG 64 6.686 21.170 -7.782
453 H1 ALA 1 H1 ALA 65 0.877 4.529 5.703
454 H2 ALA 1 H2 ALA 65 -0.404 5.229 4.942
455 H3 ALA 1 H3 ALA 65 1.116 5.551 4.427
456 HA ALA 1 HA ALA 65 1.447 3.300 3.777
457 HB1 ALA 1 HB1 ALA 65 0.010 2.067 5.223
458 HB2 ALA 1 HB2 ALA 65 -0.630 1.850 3.602
459 HB3 ALA 1 HB3 ALA 65 -1.430 2.999 4.707
460 H ARG 2 H ARG 66 1.732 3.581 1.758
461 HA ARG 2 HA ARG 66 0.193 4.996 -0.105
462 HB2 ARG 2 HB2 ARG 66 1.516 4.008 -1.784
463 HB3 ARG 2 HB3 ARG 66 2.533 4.211 -0.380
464 HG2 ARG 2 HG2 ARG 66 1.412 1.628 -1.534
465 HG3 ARG 2 HG3 ARG 66 3.089 2.120 -1.423
466 HD2 ARG 2 HD2 ARG 66 3.049 1.872 1.020
467 HD3 ARG 2 HD3 ARG 66 1.348 1.437 1.001
468 HE ARG 2 HE ARG 66 3.584 -0.292 0.420
469 HH11 ARG 2 HH11 ARG 66 0.120 0.078 -0.222
470 HH12 ARG 2 HH12 ARG 66 -0.069 -1.641 -0.441
471 HH21 ARG 2 HH21 ARG 66 3.250 -2.374 0.215
472 HH22 ARG 2 HH22 ARG 66 1.678 -3.027 -0.214
473 H THR 3 H THR 67 -1.694 4.759 -0.892
474 HA THR 3 HA THR 67 -2.804 2.110 -1.714
475 HB THR 3 HB THR 67 -5.066 3.050 -1.317
476 HG1 THR 3 HG1 THR 67 -5.265 4.951 -0.153
477 HG21 THR 3 HG21 THR 67 -3.942 1.679 0.466
478 HG22 THR 3 HG22 THR 67 -5.107 2.857 1.097
479 HG23 THR 3 HG23 THR 67 -3.371 3.192 1.217
480 HH31 ALY 4 H26 ALY 68 2.170 13.046 -6.183
481 HH32 ALY 4 H27 ALY 68 3.707 12.231 -5.802
482 HH33 ALY 4 H28 ALY 68 2.421 12.311 -4.580
483 HZ ALY 4 HZ1 ALY 68 0.239 11.504 -5.553
484 HE3 ALY 4 HE3 ALY 68 -1.025 9.865 -6.636
485 HE2 ALY 4 HE2 ALY 68 0.445 9.138 -7.302
486 HD3 ALY 4 HD3 ALY 68 1.007 8.188 -5.103
487 HD2 ALY 4 HD2 ALY 68 -0.417 8.970 -4.383
488 HG3 ALY 4 HG3 ALY 68 -1.915 7.654 -5.766
489 HG2 ALY 4 HG2 ALY 68 -0.539 6.898 -6.605
490 HB3 ALY 4 HB3 ALY 68 0.192 5.797 -4.562
491 HB2 ALY 4 HB2 ALY 68 -0.932 6.720 -3.583
492 HCA ALY 4 HA ALY 68 -2.833 5.654 -4.913
493 H ALY 4 H ALY 68 -1.100 4.300 -2.992
494 H GLN 5 H GLN 69 -3.599 4.083 -6.334
495 HA GLN 5 HA GLN 69 -1.997 2.097 -7.638
496 HB2 GLN 5 HB2 GLN 69 -4.654 3.339 -8.443
497 HB3 GLN 5 HB3 GLN 69 -3.915 1.922 -9.207
498 HG2 GLN 5 HG2 GLN 69 -3.949 0.722 -7.023
499 HG3 GLN 5 HG3 GLN 69 -4.784 2.094 -6.287
500 HE21 GLN 5 HE21 GLN 69 -6.133 -0.167 -5.973
501 HE22 GLN 5 HE22 GLN 69 -7.460 -0.287 -7.124
502 H THR 6 H THR 70 -1.046 1.997 -9.656
503 HA THR 6 HA THR 70 -0.050 4.485 -10.785
504 HB THR 6 HB THR 70 1.287 2.384 -10.595
505 HG1 THR 6 HG1 THR 70 2.103 3.913 -11.920
506 HG21 THR 6 HG21 THR 70 1.149 0.686 -12.317
507 HG22 THR 6 HG22 THR 70 -0.223 1.495 -13.094
508 HG23 THR 6 HG23 THR 70 -0.417 0.759 -11.485
509 H ALA 7 H ALA 71 -0.210 5.146 -13.036
510 HA ALA 7 HA ALA 71 -2.934 5.172 -14.023
511 HB1 ALA 7 HB1 ALA 71 -0.343 6.198 -15.254
512 HB2 ALA 7 HB2 ALA 71 -1.437 7.121 -14.197
513 HB3 ALA 7 HB3 ALA 71 -1.989 6.594 -15.799
514 H ARG 8 H ARG 72 -3.731 4.378 -15.976
515 HA ARG 8 HA ARG 72 -2.234 2.322 -17.507
516 HB2 ARG 8 HB2 ARG 72 -4.924 1.835 -16.158
517 HB3 ARG 8 HB3 ARG 72 -4.212 0.808 -17.403
518 HG2 ARG 8 HG2 ARG 72 -2.231 0.402 -15.892
519 HG3 ARG 8 HG3 ARG 72 -3.043 1.348 -14.638
520 HD2 ARG 8 HD2 ARG 72 -3.443 -0.960 -14.164
521 HD3 ARG 8 HD3 ARG 72 -4.964 -0.245 -14.723
522 HE ARG 8 HE ARG 72 -3.505 -1.426 -16.919
523 HH11 ARG 8 HH11 ARG 72 -5.484 -2.418 -14.198
524 HH12 ARG 8 HH12 ARG 72 -5.956 -3.904 -14.979
525 HH21 ARG 8 HH21 ARG 72 -4.169 -3.315 -17.856
526 HH22 ARG 8 HH22 ARG 72 -5.225 -4.395 -16.996
Start of MODEL 4
1 H1 GLY 811 H1 GLY 1 -2.629 31.504 1.066
2 H2 GLY 811 H2 GLY 1 -2.745 30.528 2.378
3 H3 GLY 811 H3 GLY 1 -3.859 30.434 1.180
4 HA2 GLY 811 HA2 GLY 1 -2.228 29.623 -0.392
5 HA3 GLY 811 HA3 GLY 1 -0.991 29.748 0.871
6 HA PRO 812 HA PRO 2 -3.451 25.671 0.827
7 HB2 PRO 812 HB2 PRO 2 -2.000 23.963 -0.726
8 HB3 PRO 812 HB3 PRO 2 -3.085 25.202 -1.420
9 HG2 PRO 812 HG2 PRO 2 -0.089 25.424 -0.954
10 HG3 PRO 812 HG3 PRO 2 -0.988 25.717 -2.481
11 HD2 PRO 812 HD2 PRO 2 -0.335 27.762 -0.813
12 HD3 PRO 812 HD3 PRO 2 -1.909 27.728 -1.662
13 H LEU 813 H LEU 3 -0.305 26.442 1.814
14 HA LEU 813 HA LEU 3 0.921 24.074 2.530
15 HB2 LEU 813 HB2 LEU 3 1.965 26.255 2.461
16 HB3 LEU 813 HB3 LEU 3 1.042 26.827 3.840
17 HG LEU 813 HG LEU 3 2.766 24.397 4.269
18 HD11 LEU 813 HD11 LEU 3 4.765 25.794 4.631
19 HD12 LEU 813 HD12 LEU 3 3.891 27.207 3.991
20 HD13 LEU 813 HD13 LEU 3 4.244 25.817 2.940
21 HD21 LEU 813 HD21 LEU 3 2.324 26.941 5.914
22 HD22 LEU 813 HD22 LEU 3 3.205 25.492 6.437
23 HD23 LEU 813 HD23 LEU 3 1.461 25.416 6.166
24 H GLY 814 H GLY 4 -1.627 25.645 4.387
25 HA2 GLY 814 HA2 GLY 4 -1.311 23.836 6.712
26 HA3 GLY 814 HA3 GLY 4 -2.451 25.162 6.542
27 H SER 815 H SER 5 -2.788 23.366 3.732
28 HA SER 815 HA SER 5 -4.903 21.601 4.790
29 HB2 SER 815 HB2 SER 5 -5.400 23.782 2.733
30 HB3 SER 815 HB3 SER 5 -6.599 22.639 3.345
31 HG SER 815 HG SER 5 -6.448 23.603 5.388
32 H VAL 816 H VAL 6 -2.289 21.170 3.197
33 HA VAL 816 HA VAL 6 -2.825 20.531 0.516
34 HB VAL 816 HB VAL 6 -0.874 19.287 2.501
35 HG11 VAL 816 HG11 VAL 6 -0.748 19.407 -0.488
36 HG12 VAL 816 HG12 VAL 6 -0.922 17.964 0.567
37 HG13 VAL 816 HG13 VAL 6 0.575 18.900 0.610
38 HG21 VAL 816 HG21 VAL 6 -0.385 21.637 0.620
39 HG22 VAL 816 HG22 VAL 6 0.728 20.919 1.820
40 HG23 VAL 816 HG23 VAL 6 -0.661 21.795 2.374
41 H GLN 817 H GLN 7 -3.910 18.978 -0.462
42 HA GLN 817 HA GLN 7 -4.844 16.644 1.110
43 HB2 GLN 817 HB2 GLN 7 -6.372 16.319 -0.765
44 HB3 GLN 817 HB3 GLN 7 -6.546 17.900 -0.007
45 HG2 GLN 817 HG2 GLN 7 -6.354 18.915 -1.960
46 HG3 GLN 817 HG3 GLN 7 -4.725 18.342 -2.137
47 HE21 GLN 817 HE21 GLN 7 -7.997 16.673 -2.490
48 HE22 GLN 817 HE22 GLN 7 -7.602 16.107 -4.098
49 H HIS 818 H HIS 8 -3.930 14.683 0.938
50 HA HIS 818 HA HIS 8 -2.547 13.998 -1.626
51 HB2 HIS 818 HB2 HIS 8 -1.693 13.603 1.187
52 HB3 HIS 818 HB3 HIS 8 -1.380 12.301 0.037
53 HD2 HIS 818 HD2 HIS 8 0.064 15.537 1.085
54 HE1 HIS 818 HE1 HIS 8 1.477 15.070 -2.913
55 HE2 HIS 818 HE2 HIS 8 1.691 16.456 -0.823
56 H VAL 819 H VAL 9 -4.595 13.559 -2.394
57 HA VAL 819 HA VAL 9 -6.024 11.127 -1.862
58 HB VAL 819 HB VAL 9 -5.731 12.743 -4.402
59 HG11 VAL 819 HG11 VAL 9 -6.552 10.460 -4.894
60 HG12 VAL 819 HG12 VAL 9 -7.858 11.654 -5.024
61 HG13 VAL 819 HG13 VAL 9 -7.756 10.611 -3.590
62 HG21 VAL 819 HG21 VAL 9 -7.843 12.675 -2.188
63 HG22 VAL 819 HG22 VAL 9 -7.970 13.598 -3.701
64 HG23 VAL 819 HG23 VAL 9 -6.734 14.016 -2.517
65 H GLY 820 H GLY 10 -4.991 9.274 -1.653
66 HA2 GLY 820 HA2 GLY 10 -3.866 7.419 -2.923
67 HA3 GLY 820 HA3 GLY 10 -2.678 8.601 -3.432
68 H PHE 821 H PHE 11 -3.106 9.579 -0.309
69 HA PHE 821 HA PHE 11 -1.390 7.411 0.890
70 HB2 PHE 821 HB2 PHE 11 -0.950 10.353 1.383
71 HB3 PHE 821 HB3 PHE 11 0.040 9.021 1.938
72 HD1 PHE 821 HD1 PHE 11 0.521 7.525 -0.672
73 HD2 PHE 821 HD2 PHE 11 0.647 11.688 0.384
74 HE1 PHE 821 HE1 PHE 11 1.931 7.990 -2.655
75 HE2 PHE 821 HE2 PHE 11 1.970 12.167 -1.644
76 HZ PHE 821 HZ PHE 11 2.596 10.364 -3.172
77 H LYS 822 H LYS 12 -3.068 6.507 2.063
78 HA LYS 822 HA LYS 12 -4.617 8.196 4.010
79 HB2 LYS 822 HB2 LYS 12 -5.978 6.613 2.909
80 HB3 LYS 822 HB3 LYS 12 -4.803 5.386 2.954
81 HG2 LYS 822 HG2 LYS 12 -5.542 5.888 5.734
82 HG3 LYS 822 HG3 LYS 12 -6.981 6.046 4.803
83 HD2 LYS 822 HD2 LYS 12 -6.951 3.854 5.557
84 HD3 LYS 822 HD3 LYS 12 -6.637 3.784 3.817
85 HE2 LYS 822 HE2 LYS 12 -4.218 3.471 4.268
86 HE3 LYS 822 HE3 LYS 12 -4.497 3.649 6.009
87 HZ1 LYS 822 HZ1 LYS 12 -5.624 1.448 4.327
88 HZ2 LYS 822 HZ2 LYS 12 -5.889 1.626 5.929
89 HZ3 LYS 822 HZ3 LYS 12 -4.392 1.284 5.387
90 H CYS 823 H CYS 13 -4.210 8.128 6.220
91 HA CYS 823 HA CYS 13 -1.527 7.698 7.048
92 HB2 CYS 823 HB2 CYS 13 -3.069 9.400 7.936
93 HB3 CYS 823 HB3 CYS 13 -4.093 8.112 8.556
94 H ASP 824 H ASP 14 -0.644 6.339 8.467
95 HA ASP 824 HA ASP 14 -1.820 3.608 8.819
96 HB2 ASP 824 HB2 ASP 14 1.002 4.675 9.174
97 HB3 ASP 824 HB3 ASP 14 0.506 3.005 9.396
98 H ASN 825 H ASN 15 -0.751 6.372 10.724
99 HA ASN 825 HA ASN 15 -0.834 5.038 13.308
100 HB2 ASN 825 HB2 ASN 15 0.225 7.246 13.066
101 HB3 ASN 825 HB3 ASN 15 -1.364 7.954 12.645
102 HD21 ASN 825 HD21 ASN 15 -1.418 9.385 14.394
103 HD22 ASN 825 HD22 ASN 15 -1.540 8.811 16.068
104 H CYS 826 H CYS 16 -3.340 7.158 11.771
105 HA CYS 826 HA CYS 16 -5.312 6.022 13.664
106 HB2 CYS 826 HB2 CYS 16 -6.285 8.110 13.805
107 HB3 CYS 826 HB3 CYS 16 -4.560 8.445 13.834
108 H GLY 827 H GLY 17 -4.610 5.997 10.328
109 HA2 GLY 827 HA2 GLY 17 -5.566 4.586 8.796
110 HA3 GLY 827 HA3 GLY 17 -6.952 4.352 9.829
111 H ILE 828 H ILE 18 -6.328 7.689 9.540
112 HA ILE 828 HA ILE 18 -8.701 8.171 8.152
113 HB ILE 828 HB ILE 18 -7.772 9.750 9.718
114 HG12 ILE 828 HG12 ILE 18 -7.860 11.075 6.984
115 HG13 ILE 828 HG13 ILE 18 -9.290 10.464 7.761
116 HG21 ILE 828 HG21 ILE 18 -5.595 10.334 7.638
117 HG22 ILE 828 HG22 ILE 18 -5.342 9.515 9.175
118 HG23 ILE 828 HG23 ILE 18 -5.881 11.173 9.177
119 HD11 ILE 828 HD11 ILE 18 -8.866 11.963 9.719
120 HD12 ILE 828 HD12 ILE 18 -9.153 12.820 8.194
121 HD13 ILE 828 HD13 ILE 18 -7.504 12.685 8.830
122 H GLU 829 H GLU 19 -9.203 8.693 6.177
123 HA GLU 829 HA GLU 19 -7.831 7.720 3.914
124 HB2 GLU 829 HB2 GLU 19 -9.442 9.493 2.813
125 HB3 GLU 829 HB3 GLU 19 -9.987 7.917 3.268
126 HG2 GLU 829 HG2 GLU 19 -10.253 10.362 5.089
127 HG3 GLU 829 HG3 GLU 19 -11.441 9.981 3.854
128 HA PRO 830 HA PRO 20 -4.948 10.201 1.828
129 HB2 PRO 830 HB2 PRO 20 -7.466 11.708 1.118
130 HB3 PRO 830 HB3 PRO 20 -6.035 11.330 0.124
131 HG2 PRO 830 HG2 PRO 20 -8.400 9.838 0.391
132 HG3 PRO 830 HG3 PRO 20 -6.917 9.293 -0.456
133 HD2 PRO 830 HD2 PRO 20 -7.815 8.093 1.831
134 HD3 PRO 830 HD3 PRO 20 -6.099 8.177 1.369
135 H ILE 831 H ILE 21 -3.751 11.030 3.428
136 HA ILE 831 HA ILE 21 -4.426 12.681 5.497
137 HB ILE 831 HB ILE 21 -1.792 12.414 4.028
138 HG12 ILE 831 HG12 ILE 21 -2.511 11.217 6.729
139 HG13 ILE 831 HG13 ILE 21 -3.019 10.407 5.272
140 HG21 ILE 831 HG21 ILE 21 -0.707 13.246 6.163
141 HG22 ILE 831 HG22 ILE 21 -2.311 13.736 6.725
142 HG23 ILE 831 HG23 ILE 21 -1.589 14.489 5.289
143 HD11 ILE 831 HD11 ILE 21 -0.128 11.106 5.874
144 HD12 ILE 831 HD12 ILE 21 -0.747 10.263 4.437
145 HD13 ILE 831 HD13 ILE 21 -0.883 9.516 6.043
146 H GLN 832 H GLN 22 -4.554 14.725 6.057
147 HA GLN 832 HA GLN 22 -4.564 16.748 3.871
148 HB2 GLN 832 HB2 GLN 22 -6.256 16.685 6.379
149 HB3 GLN 832 HB3 GLN 22 -6.312 17.893 5.093
150 HG2 GLN 832 HG2 GLN 22 -6.984 14.947 4.682
151 HG3 GLN 832 HG3 GLN 22 -8.158 16.194 5.041
152 HE21 GLN 832 HE21 GLN 22 -7.055 14.461 2.487
153 HE22 GLN 832 HE22 GLN 22 -7.489 15.631 1.236
154 H GLY 833 H GLY 23 -3.446 18.574 4.117
155 HA2 GLY 833 HA2 GLY 23 -2.736 20.480 5.536
156 HA3 GLY 833 HA3 GLY 23 -2.318 19.353 6.778
157 H VAL 834 H VAL 24 -0.718 17.646 6.116
158 HA VAL 834 HA VAL 24 1.277 18.320 4.109
159 HB VAL 834 HB VAL 24 1.768 19.657 6.155
160 HG11 VAL 834 HG11 VAL 24 2.501 18.682 8.200
161 HG12 VAL 834 HG12 VAL 24 2.334 17.041 7.529
162 HG13 VAL 834 HG13 VAL 24 0.884 18.060 7.811
163 HG21 VAL 834 HG21 VAL 24 4.150 18.933 6.505
164 HG22 VAL 834 HG22 VAL 24 3.713 19.081 4.810
165 HG23 VAL 834 HG23 VAL 24 3.815 17.468 5.566
166 H ARG 835 H ARG 25 2.220 16.395 3.352
167 HA ARG 835 HA ARG 25 1.321 13.824 4.589
168 HB2 ARG 835 HB2 ARG 25 1.459 14.006 2.113
169 HB3 ARG 835 HB3 ARG 25 3.170 14.393 2.236
170 HG2 ARG 835 HG2 ARG 25 3.257 12.000 3.490
171 HG3 ARG 835 HG3 ARG 25 1.741 11.764 2.624
172 HD2 ARG 835 HD2 ARG 25 3.006 12.410 0.496
173 HD3 ARG 835 HD3 ARG 25 4.485 12.430 1.473
174 HE ARG 835 HE ARG 25 3.174 9.928 1.914
175 HH11 ARG 835 HH11 ARG 25 4.944 11.394 -0.763
176 HH12 ARG 835 HH12 ARG 25 5.431 9.828 -1.342
177 HH21 ARG 835 HH21 ARG 25 3.746 8.152 1.178
178 HH22 ARG 835 HH22 ARG 25 4.766 7.963 -0.251
179 H TRP 836 H TRP 26 2.559 12.748 6.114
180 HA TRP 836 HA TRP 26 5.452 13.479 6.322
181 HB2 TRP 836 HB2 TRP 26 3.677 12.145 8.389
182 HB3 TRP 836 HB3 TRP 26 5.392 12.228 8.445
183 HD1 TRP 836 HD1 TRP 26 2.475 14.649 8.784
184 HE1 TRP 836 HE1 TRP 26 3.396 16.829 9.885
185 HE3 TRP 836 HE3 TRP 26 7.457 13.831 8.231
186 HZ2 TRP 836 HZ2 TRP 26 5.931 17.800 10.801
187 HZ3 TRP 836 HZ3 TRP 26 9.123 15.268 9.366
188 HH2 TRP 836 HH2 TRP 26 8.380 17.226 10.690
189 H HIS 837 H HIS 27 6.397 12.369 4.821
190 HA HIS 837 HA HIS 27 5.731 9.518 4.234
191 HB2 HIS 837 HB2 HIS 27 6.062 10.955 2.311
192 HB3 HIS 837 HB3 HIS 27 7.597 11.547 2.949
193 HD2 HIS 837 HD2 HIS 27 9.657 10.433 1.892
194 HE1 HIS 837 HE1 HIS 27 8.017 6.629 0.848
195 HE2 HIS 837 HE2 HIS 27 10.106 8.091 0.764
196 H CYS 838 H CYS 28 6.739 7.942 5.322
197 HA CYS 838 HA CYS 28 8.887 8.334 7.131
198 HB2 CYS 838 HB2 CYS 28 7.415 6.094 5.866
199 HB3 CYS 838 HB3 CYS 28 9.041 5.732 6.495
200 H GLN 839 H GLN 29 11.065 8.450 6.929
201 HA GLN 839 HA GLN 29 12.165 8.579 4.241
202 HB2 GLN 839 HB2 GLN 29 13.473 8.962 6.960
203 HB3 GLN 839 HB3 GLN 29 14.247 9.250 5.413
204 HG2 GLN 839 HG2 GLN 29 12.097 10.778 4.968
205 HG3 GLN 839 HG3 GLN 29 12.008 10.803 6.719
206 HE21 GLN 839 HE21 GLN 29 12.536 13.063 6.988
207 HE22 GLN 839 HE22 GLN 29 14.026 13.730 6.356
208 H ASP 840 H ASP 30 12.445 6.308 6.968
209 HA ASP 840 HA ASP 30 14.680 4.889 5.578
210 HB2 ASP 840 HB2 ASP 30 14.967 5.687 7.888
211 HB3 ASP 840 HB3 ASP 30 13.627 4.668 8.397
212 H CYS 841 H CYS 31 11.338 4.375 6.651
213 HA CYS 841 HA CYS 31 11.261 1.577 6.208
214 HB2 CYS 841 HB2 CYS 31 8.983 3.577 6.060
215 HB3 CYS 841 HB3 CYS 31 8.849 1.837 6.165
216 HA PRO 842 HA PRO 32 12.137 1.506 1.969
217 HB2 PRO 842 HB2 PRO 32 11.332 -0.975 1.144
218 HB3 PRO 842 HB3 PRO 32 12.638 -0.720 2.340
219 HG2 PRO 842 HG2 PRO 32 9.710 -1.324 2.870
220 HG3 PRO 842 HG3 PRO 32 11.142 -2.136 3.569
221 HD2 PRO 842 HD2 PRO 32 9.829 -0.132 4.888
222 HD3 PRO 842 HD3 PRO 32 11.589 -0.337 5.004
223 HA PRO 843 HA PRO 33 8.970 2.933 -0.733
224 HB2 PRO 843 HB2 PRO 33 10.032 1.012 -2.822
225 HB3 PRO 843 HB3 PRO 33 9.601 2.742 -2.997
226 HG2 PRO 843 HG2 PRO 33 12.183 2.046 -2.716
227 HG3 PRO 843 HG3 PRO 33 11.541 3.421 -1.758
228 HD2 PRO 843 HD2 PRO 33 11.997 0.563 -0.869
229 HD3 PRO 843 HD3 PRO 33 12.403 2.096 -0.035
230 H GLU 844 H GLU 34 9.305 -0.624 -0.816
231 HA GLU 844 HA GLU 34 6.737 -1.375 -1.722
232 HB2 GLU 844 HB2 GLU 34 8.673 -2.860 -1.464
233 HB3 GLU 844 HB3 GLU 34 8.609 -2.693 0.298
234 HG2 GLU 844 HG2 GLU 34 6.507 -3.885 0.410
235 HG3 GLU 844 HG3 GLU 34 6.301 -3.802 -1.343
236 H MET 845 H MET 35 7.744 -0.198 1.409
237 HA MET 845 HA MET 35 4.997 -0.334 2.532
238 HB2 MET 845 HB2 MET 35 7.635 -0.935 3.906
239 HB3 MET 845 HB3 MET 35 6.201 -0.458 4.813
240 HG2 MET 845 HG2 MET 35 6.293 -2.828 2.935
241 HG3 MET 845 HG3 MET 35 6.562 -2.924 4.669
242 HE1 MET 845 HE1 MET 35 4.387 -1.078 6.073
243 HE2 MET 845 HE2 MET 35 4.804 -2.749 6.520
244 HE3 MET 845 HE3 MET 35 3.109 -2.283 6.278
245 H SER 846 H SER 36 5.679 1.693 0.921
246 HA SER 846 HA SER 36 6.698 3.982 2.307
247 HB2 SER 846 HB2 SER 36 4.616 3.830 0.092
248 HB3 SER 846 HB3 SER 36 5.319 5.326 0.731
249 HG SER 846 HG SER 36 6.631 3.226 -0.654
250 H LEU 847 H LEU 37 6.062 4.184 4.287
251 HA LEU 847 HA LEU 37 3.288 4.094 5.242
252 HB2 LEU 847 HB2 LEU 37 6.063 4.180 6.442
253 HB3 LEU 847 HB3 LEU 37 4.715 4.650 7.411
254 HG LEU 847 HG LEU 37 4.449 2.021 5.866
255 HD11 LEU 847 HD11 LEU 37 6.593 2.436 7.870
256 HD12 LEU 847 HD12 LEU 37 6.654 1.724 6.276
257 HD13 LEU 847 HD13 LEU 37 5.859 0.814 7.535
258 HD21 LEU 847 HD21 LEU 37 2.697 2.160 7.271
259 HD22 LEU 847 HD22 LEU 37 3.568 3.009 8.550
260 HD23 LEU 847 HD23 LEU 37 3.791 1.244 8.274
261 H ASP 848 H ASP 38 2.300 5.824 6.496
262 HA ASP 848 HA ASP 38 3.229 8.532 5.808
263 HB2 ASP 848 HB2 ASP 38 0.492 7.568 4.964
264 HB3 ASP 848 HB3 ASP 38 1.233 9.138 4.689
265 H PHE 849 H PHE 39 2.467 10.099 7.147
266 HA PHE 849 HA PHE 39 0.260 9.460 9.029
267 HB2 PHE 849 HB2 PHE 39 2.900 10.643 9.994
268 HB3 PHE 849 HB3 PHE 39 1.505 10.200 10.913
269 HD1 PHE 849 HD1 PHE 39 4.567 8.842 9.262
270 HD2 PHE 849 HD2 PHE 39 0.824 7.854 11.141
271 HE1 PHE 849 HE1 PHE 39 5.450 6.703 9.876
272 HE2 PHE 849 HE2 PHE 39 1.721 5.597 11.744
273 HZ PHE 849 HZ PHE 39 4.047 4.982 11.154
274 H CYS 850 H CYS 40 -0.931 11.160 9.851
275 HA CYS 850 HA CYS 40 -1.026 13.642 8.505
276 HB2 CYS 850 HB2 CYS 40 -2.073 12.901 11.265
277 HB3 CYS 850 HB3 CYS 40 -2.701 14.171 10.221
278 H ASP 851 H ASP 41 -1.075 15.748 9.756
279 HA ASP 851 HA ASP 41 1.499 16.578 10.503
280 HB2 ASP 851 HB2 ASP 41 0.552 18.674 10.893
281 HB3 ASP 851 HB3 ASP 41 -0.398 17.973 9.602
282 H SER 852 H SER 42 -1.100 15.391 12.551
283 HA SER 852 HA SER 42 0.368 15.882 15.044
284 HB2 SER 852 HB2 SER 42 -2.085 16.216 14.939
285 HB3 SER 852 HB3 SER 42 -2.281 14.504 14.519
286 HG SER 852 HG SER 42 -1.371 15.631 16.980
287 H CYS 853 H CYS 43 -0.546 13.125 12.955
288 HA CYS 853 HA CYS 43 0.072 11.060 14.803
289 HB2 CYS 853 HB2 CYS 43 -0.326 11.225 11.817
290 HB3 CYS 853 HB3 CYS 43 -0.159 9.725 12.703
291 H SER 854 H SER 44 1.943 12.791 12.404
292 HA SER 854 HA SER 44 4.173 11.022 12.075
293 HB2 SER 854 HB2 SER 44 5.264 13.022 11.242
294 HB3 SER 854 HB3 SER 44 3.574 13.018 10.737
295 HG SER 854 HG SER 44 4.135 15.061 11.558
296 H ASP 855 H ASP 45 3.202 13.038 14.749
297 HA ASP 855 HA ASP 45 5.794 12.879 16.105
298 HB2 ASP 855 HB2 ASP 45 4.274 14.932 16.154
299 HB3 ASP 855 HB3 ASP 45 3.190 13.996 17.183
300 H CYS 856 H CYS 46 3.221 10.764 15.656
301 HA CYS 856 HA CYS 46 2.952 9.749 18.344
302 HB2 CYS 856 HB2 CYS 46 1.245 9.642 16.383
303 HB3 CYS 856 HB3 CYS 46 2.226 8.316 15.752
304 HG CYS 856 HG CYS 46 0.227 7.179 16.915
305 H LEU 857 H LEU 47 5.214 9.209 15.837
306 HA LEU 857 HA LEU 47 7.034 7.928 15.591
307 HB2 LEU 857 HB2 LEU 47 7.510 9.324 17.573
308 HB3 LEU 857 HB3 LEU 47 7.047 8.011 18.633
309 HG LEU 857 HG LEU 47 8.900 6.649 18.004
310 HD11 LEU 857 HD11 LEU 47 10.555 7.464 16.230
311 HD12 LEU 857 HD12 LEU 47 9.316 8.607 15.713
312 HD13 LEU 857 HD13 LEU 47 9.002 6.846 15.631
313 HD21 LEU 857 HD21 LEU 47 9.422 8.516 19.526
314 HD22 LEU 857 HD22 LEU 47 9.880 9.527 18.134
315 HD23 LEU 857 HD23 LEU 47 10.816 8.065 18.536
316 H HIS 858 H HIS 48 5.611 6.336 14.679
317 HA HIS 858 HA HIS 48 4.873 4.055 16.347
318 HB2 HIS 858 HB2 HIS 48 3.174 5.257 14.966
319 HB3 HIS 858 HB3 HIS 48 4.074 4.810 13.517
320 HD2 HIS 858 HD2 HIS 48 3.293 2.637 12.365
321 HE1 HIS 858 HE1 HIS 48 1.230 0.781 15.609
322 HE2 HIS 858 HE2 HIS 48 1.777 0.606 13.133
323 H GLU 859 H GLU 49 4.951 1.887 15.600
324 HA GLU 859 HA GLU 49 7.186 1.216 13.827
325 HB2 GLU 859 HB2 GLU 49 7.095 -0.081 16.558
326 HB3 GLU 859 HB3 GLU 49 8.361 -0.079 15.393
327 HG2 GLU 859 HG2 GLU 49 8.669 2.409 15.796
328 HG3 GLU 859 HG3 GLU 49 7.470 2.294 17.064
329 H THR 860 H THR 50 7.050 -0.755 12.867
330 HA THR 860 HA THR 50 4.839 -2.633 13.621
331 HB THR 860 HB THR 50 4.219 -3.066 11.414
332 HG1 THR 860 HG1 THR 50 5.281 -2.249 9.633
333 HG21 THR 860 HG21 THR 50 3.121 -1.043 12.125
334 HG22 THR 860 HG22 THR 50 3.544 -0.879 10.415
335 HG23 THR 860 HG23 THR 50 4.478 -0.017 11.660
336 H ASP 861 H ASP 51 5.870 -4.378 11.331
337 HA ASP 861 HA ASP 51 8.064 -5.724 12.699
338 HB2 ASP 861 HB2 ASP 51 6.703 -6.234 10.089
339 HB3 ASP 861 HB3 ASP 51 7.934 -7.263 10.786
340 H ILE 862 H ILE 52 7.577 -3.543 10.014
341 HA ILE 862 HA ILE 52 10.460 -3.536 9.370
342 HB ILE 862 HB ILE 52 8.082 -2.702 7.717
343 HG12 ILE 862 HG12 ILE 52 10.183 -4.932 7.641
344 HG13 ILE 862 HG13 ILE 52 8.446 -5.129 7.888
345 HG21 ILE 862 HG21 ILE 52 9.842 -2.196 5.993
346 HG22 ILE 862 HG22 ILE 52 11.073 -2.374 7.276
347 HG23 ILE 862 HG23 ILE 52 9.858 -1.081 7.357
348 HD11 ILE 862 HD11 ILE 52 8.941 -5.813 5.681
349 HD12 ILE 862 HD12 ILE 52 9.851 -4.325 5.346
350 HD13 ILE 862 HD13 ILE 52 8.073 -4.260 5.585
351 H HIS 863 H HIS 53 7.644 -1.510 10.185
352 HA HIS 863 HA HIS 53 9.134 0.953 10.066
353 HB2 HIS 863 HB2 HIS 53 7.114 1.190 9.432
354 HB3 HIS 863 HB3 HIS 53 6.278 0.138 10.367
355 HD1 HIS 863 HD1 HIS 53 4.630 2.249 10.199
356 HD2 HIS 863 HD2 HIS 53 8.318 2.969 11.950
357 HE1 HIS 863 HE1 HIS 53 5.544 4.362 9.177
358 H LYS 864 H LYS 54 10.251 1.979 11.606
359 HA LYS 864 HA LYS 54 9.990 1.131 14.435
360 HB2 LYS 864 HB2 LYS 54 12.651 1.205 12.973
361 HB3 LYS 864 HB3 LYS 54 12.375 0.898 14.658
362 HG2 LYS 864 HG2 LYS 54 11.362 -0.914 12.380
363 HG3 LYS 864 HG3 LYS 54 12.796 -1.195 13.305
364 HD2 LYS 864 HD2 LYS 54 11.581 -1.701 15.312
365 HD3 LYS 864 HD3 LYS 54 10.113 -1.090 14.678
366 HE2 LYS 864 HE2 LYS 54 9.918 -3.420 14.497
367 HE3 LYS 864 HE3 LYS 54 10.136 -2.817 12.866
368 HZ1 LYS 864 HZ1 LYS 54 12.516 -3.511 13.029
369 HZ2 LYS 864 HZ2 LYS 54 11.519 -4.780 13.272
370 HZ3 LYS 864 HZ3 LYS 54 12.261 -4.081 14.549
371 H GLU 865 H GLU 55 10.963 2.556 15.978
372 HA GLU 865 HA GLU 55 10.837 5.331 15.258
373 HB2 GLU 865 HB2 GLU 55 11.164 5.737 17.602
374 HB3 GLU 865 HB3 GLU 55 10.064 4.386 17.414
375 HG2 GLU 865 HG2 GLU 55 12.091 2.867 17.850
376 HG3 GLU 865 HG3 GLU 55 13.033 4.312 18.166
377 H ASP 866 H ASP 56 13.234 3.346 14.489
378 HA ASP 866 HA ASP 56 15.603 4.524 15.515
379 HB2 ASP 866 HB2 ASP 56 15.175 2.186 14.606
380 HB3 ASP 866 HB3 ASP 56 15.311 2.926 13.016
381 H HIS 867 H HIS 57 13.441 5.567 13.116
382 HA HIS 867 HA HIS 57 15.459 6.877 11.404
383 HB2 HIS 867 HB2 HIS 57 13.813 6.680 9.740
384 HB3 HIS 867 HB3 HIS 57 14.071 5.167 10.524
385 HD1 HIS 867 HD1 HIS 57 11.457 7.841 11.797
386 HD2 HIS 867 HD2 HIS 57 11.934 4.115 9.954
387 HE1 HIS 867 HE1 HIS 57 9.134 7.161 11.001
388 H GLN 868 H GLN 58 13.534 8.404 10.082
389 HA GLN 868 HA GLN 58 12.321 10.420 11.773
390 HB2 GLN 868 HB2 GLN 58 13.392 12.324 10.659
391 HB3 GLN 868 HB3 GLN 58 14.560 11.379 11.559
392 HG2 GLN 868 HG2 GLN 58 14.172 11.093 8.544
393 HG3 GLN 868 HG3 GLN 58 15.289 12.239 9.274
394 HE21 GLN 868 HE21 GLN 58 16.981 11.185 10.830
395 HE22 GLN 868 HE22 GLN 58 17.573 9.616 10.291
396 H LEU 869 H LEU 59 10.893 11.865 10.477
397 HA LEU 869 HA LEU 59 9.806 10.531 8.024
398 HB2 LEU 869 HB2 LEU 59 8.527 12.546 9.908
399 HB3 LEU 869 HB3 LEU 59 7.759 11.706 8.565
400 HG LEU 869 HG LEU 59 6.922 10.890 10.572
401 HD11 LEU 869 HD11 LEU 59 7.283 8.487 10.318
402 HD12 LEU 869 HD12 LEU 59 8.796 8.797 9.438
403 HD13 LEU 869 HD13 LEU 59 7.224 9.264 8.745
404 HD21 LEU 869 HD21 LEU 59 9.587 9.868 11.550
405 HD22 LEU 869 HD22 LEU 59 8.016 9.827 12.352
406 HD23 LEU 869 HD23 LEU 59 8.823 11.382 12.106
407 H GLU 870 H GLU 60 9.060 11.901 6.311
408 HA GLU 870 HA GLU 60 10.458 14.546 6.095
409 HB2 GLU 870 HB2 GLU 60 11.317 12.866 4.576
410 HB3 GLU 870 HB3 GLU 60 9.706 12.508 3.990
411 HG2 GLU 870 HG2 GLU 60 10.901 13.774 2.399
412 HG3 GLU 870 HG3 GLU 60 9.538 14.732 2.980
413 HA PRO 871 HA PRO 61 6.144 15.977 5.817
414 HB2 PRO 871 HB2 PRO 61 6.541 18.633 6.171
415 HB3 PRO 871 HB3 PRO 61 6.665 17.454 7.504
416 HG2 PRO 871 HG2 PRO 61 8.888 18.737 5.904
417 HG3 PRO 871 HG3 PRO 61 8.816 18.437 7.666
418 HD2 PRO 871 HD2 PRO 61 10.108 16.795 5.806
419 HD3 PRO 871 HD3 PRO 61 9.536 16.241 7.391
420 H ILE 872 H ILE 62 4.938 16.609 3.967
421 HA ILE 872 HA ILE 62 6.370 18.126 1.831
422 HB ILE 872 HB ILE 62 4.194 16.216 1.181
423 HG12 ILE 872 HG12 ILE 62 7.037 15.485 1.891
424 HG13 ILE 872 HG13 ILE 62 5.497 14.675 2.277
425 HG21 ILE 872 HG21 ILE 62 5.250 16.372 -1.025
426 HG22 ILE 872 HG22 ILE 62 6.654 17.219 -0.337
427 HG23 ILE 872 HG23 ILE 62 5.069 18.005 -0.408
428 HD11 ILE 872 HD11 ILE 62 5.318 14.092 -0.137
429 HD12 ILE 872 HD12 ILE 62 6.721 13.362 0.711
430 HD13 ILE 872 HD13 ILE 62 6.962 14.773 -0.348
431 H TYR 873 H TYR 63 5.474 20.039 1.410
432 HA TYR 873 HA TYR 63 2.921 20.701 2.698
433 HB2 TYR 873 HB2 TYR 63 5.261 22.433 1.857
434 HB3 TYR 873 HB3 TYR 63 3.783 23.014 2.602
435 HD1 TYR 873 HD1 TYR 63 7.050 21.615 3.243
436 HD2 TYR 873 HD2 TYR 63 3.109 22.165 4.925
437 HE1 TYR 873 HE1 TYR 63 7.964 21.226 5.527
438 HE2 TYR 873 HE2 TYR 63 4.031 21.796 7.202
439 HH TYR 873 HH TYR 63 5.932 21.424 8.473
440 H ARG 874 H ARG 64 3.343 19.427 0.046
441 HA ARG 874 HA ARG 64 1.321 20.823 -1.494
442 HB2 ARG 874 HB2 ARG 64 4.099 20.277 -2.651
443 HB3 ARG 874 HB3 ARG 64 2.690 20.704 -3.612
444 HG2 ARG 874 HG2 ARG 64 4.050 22.498 -1.560
445 HG3 ARG 874 HG3 ARG 64 4.182 22.573 -3.305
446 HD2 ARG 874 HD2 ARG 64 1.745 23.000 -3.523
447 HD3 ARG 874 HD3 ARG 64 1.595 23.074 -1.773
448 HE ARG 874 HE ARG 64 2.698 25.085 -3.579
449 HH11 ARG 874 HH11 ARG 64 2.744 24.090 -0.202
450 HH12 ARG 874 HH12 ARG 64 3.320 25.658 0.317
451 HH21 ARG 874 HH21 ARG 64 3.373 27.033 -2.832
452 HH22 ARG 874 HH22 ARG 64 3.627 27.295 -1.133
453 H1 ALA 1 H1 ALA 65 -0.866 5.170 4.417
454 H2 ALA 1 H2 ALA 65 0.738 5.316 4.100
455 H3 ALA 1 H3 ALA 65 0.212 4.236 5.230
456 HA ALA 1 HA ALA 65 0.830 3.085 3.269
457 HB1 ALA 1 HB1 ALA 65 -0.965 2.000 4.453
458 HB2 ALA 1 HB2 ALA 65 -1.370 1.955 2.740
459 HB3 ALA 1 HB3 ALA 65 -2.161 3.144 3.796
460 H ARG 2 H ARG 66 1.481 3.630 1.364
461 HA ARG 2 HA ARG 66 0.257 5.342 -0.512
462 HB2 ARG 2 HB2 ARG 66 1.843 4.552 -2.084
463 HB3 ARG 2 HB3 ARG 66 2.626 4.608 -0.526
464 HG2 ARG 2 HG2 ARG 66 1.762 2.155 -2.109
465 HG3 ARG 2 HG3 ARG 66 3.389 2.662 -1.724
466 HD2 ARG 2 HD2 ARG 66 3.066 2.115 0.651
467 HD3 ARG 2 HD3 ARG 66 1.384 1.671 0.360
468 HE ARG 2 HE ARG 66 3.721 0.034 -0.136
469 HH11 ARG 2 HH11 ARG 66 3.473 -1.998 -0.662
470 HH12 ARG 2 HH12 ARG 66 1.989 -2.600 -1.373
471 HH21 ARG 2 HH21 ARG 66 0.253 -1.209 -1.658
472 HH22 ARG 2 HH22 ARG 66 0.371 0.471 -1.208
473 H THR 3 H THR 67 -1.527 5.234 -1.529
474 HA THR 3 HA THR 67 -2.452 2.766 -2.924
475 HB THR 3 HB THR 67 -4.761 3.302 -2.490
476 HG1 THR 3 HG1 THR 67 -4.911 5.442 -2.328
477 HG21 THR 3 HG21 THR 67 -4.976 2.929 -0.135
478 HG22 THR 3 HG22 THR 67 -3.356 3.569 0.192
479 HG23 THR 3 HG23 THR 67 -3.544 2.030 -0.686
480 HH31 ALY 4 H26 ALY 68 -3.252 13.803 -5.481
481 HH32 ALY 4 H27 ALY 68 -2.030 15.056 -5.167
482 HH33 ALY 4 H28 ALY 68 -2.340 13.791 -3.958
483 HZ ALY 4 HZ1 ALY 68 -2.308 11.512 -5.121
484 HE3 ALY 4 HE3 ALY 68 -0.662 10.640 -7.122
485 HE2 ALY 4 HE2 ALY 68 0.486 11.083 -5.839
486 HD3 ALY 4 HD3 ALY 68 -0.783 9.666 -4.235
487 HD2 ALY 4 HD2 ALY 68 -1.857 9.162 -5.563
488 HG3 ALY 4 HG3 ALY 68 0.097 8.178 -6.745
489 HG2 ALY 4 HG2 ALY 68 1.152 8.727 -5.442
490 HB3 ALY 4 HB3 ALY 68 0.784 6.447 -4.980
491 HB2 ALY 4 HB2 ALY 68 -0.185 7.350 -3.825
492 HCA ALY 4 HA ALY 68 -2.212 6.918 -5.268
493 H ALY 4 H ALY 68 -0.705 4.966 -3.725
494 H GLN 5 H GLN 69 -3.224 5.123 -6.557
495 HA GLN 5 HA GLN 69 -1.775 3.610 -8.470
496 HB2 GLN 5 HB2 GLN 69 -4.022 3.066 -7.607
497 HB3 GLN 5 HB3 GLN 69 -4.690 4.485 -8.402
498 HG2 GLN 5 HG2 GLN 69 -5.258 2.502 -9.657
499 HG3 GLN 5 HG3 GLN 69 -4.202 3.515 -10.620
500 HE21 GLN 5 HE21 GLN 69 -3.948 1.409 -11.867
501 HE22 GLN 5 HE22 GLN 69 -2.738 0.277 -11.283
502 H THR 6 H THR 70 -3.031 6.892 -8.725
503 HA THR 6 HA THR 70 -3.050 8.468 -10.363
504 HB THR 6 HB THR 70 -0.509 7.212 -11.425
505 HG1 THR 6 HG1 THR 70 -0.290 7.383 -9.213
506 HG21 THR 6 HG21 THR 70 0.150 9.574 -11.759
507 HG22 THR 6 HG22 THR 70 -1.433 10.115 -11.166
508 HG23 THR 6 HG23 THR 70 -1.304 9.212 -12.689
509 H ALA 7 H ALA 71 -4.901 6.710 -10.917
510 HA ALA 7 HA ALA 71 -4.762 5.449 -13.500
511 HB1 ALA 7 HB1 ALA 71 -7.174 5.085 -13.147
512 HB2 ALA 7 HB2 ALA 71 -7.160 6.220 -11.779
513 HB3 ALA 7 HB3 ALA 71 -6.253 4.693 -11.683
514 H ARG 8 H ARG 72 -5.961 5.961 -15.391
515 HA ARG 8 HA ARG 72 -5.842 8.701 -16.298
516 HB2 ARG 8 HB2 ARG 72 -5.419 6.717 -17.732
517 HB3 ARG 8 HB3 ARG 72 -7.122 6.256 -17.586
518 HG2 ARG 8 HG2 ARG 72 -7.798 8.359 -18.707
519 HG3 ARG 8 HG3 ARG 72 -6.096 8.871 -18.787
520 HD2 ARG 8 HD2 ARG 72 -5.576 6.921 -20.201
521 HD3 ARG 8 HD3 ARG 72 -7.271 6.397 -20.121
522 HE ARG 8 HE ARG 72 -7.199 9.082 -21.063
523 HH11 ARG 8 HH11 ARG 72 -6.325 5.900 -22.244
524 HH12 ARG 8 HH12 ARG 72 -6.573 6.347 -23.910
525 HH21 ARG 8 HH21 ARG 72 -7.465 9.596 -23.200
526 HH22 ARG 8 HH22 ARG 72 -7.182 8.398 -24.435
Start of MODEL 5
1 H1 GLY 811 H1 GLY 1 -1.851 30.843 1.589
2 H2 GLY 811 H2 GLY 1 -0.452 31.654 1.336
3 H3 GLY 811 H3 GLY 1 -0.665 30.806 2.719
4 HA2 GLY 811 HA2 GLY 1 -0.466 29.660 -0.002
5 HA3 GLY 811 HA3 GLY 1 0.815 29.606 1.223
6 HA PRO 812 HA PRO 2 -1.903 25.806 1.197
7 HB2 PRO 812 HB2 PRO 2 0.798 24.454 1.108
8 HB3 PRO 812 HB3 PRO 2 -0.718 23.985 0.284
9 HG2 PRO 812 HG2 PRO 2 1.218 25.259 -1.106
10 HG3 PRO 812 HG3 PRO 2 -0.480 25.811 -1.288
11 HD2 PRO 812 HD2 PRO 2 1.682 26.959 0.510
12 HD3 PRO 812 HD3 PRO 2 0.621 27.811 -0.644
13 H LEU 813 H LEU 3 0.682 26.668 3.286
14 HA LEU 813 HA LEU 3 0.992 24.594 5.047
15 HB2 LEU 813 HB2 LEU 3 2.379 26.559 5.079
16 HB3 LEU 813 HB3 LEU 3 1.014 27.583 5.518
17 HG LEU 813 HG LEU 3 0.905 26.537 7.761
18 HD11 LEU 813 HD11 LEU 3 3.414 25.045 6.875
19 HD12 LEU 813 HD12 LEU 3 1.845 24.307 7.279
20 HD13 LEU 813 HD13 LEU 3 2.785 25.118 8.529
21 HD21 LEU 813 HD21 LEU 3 3.676 27.548 7.003
22 HD22 LEU 813 HD22 LEU 3 2.970 27.529 8.634
23 HD23 LEU 813 HD23 LEU 3 2.264 28.562 7.375
24 H GLY 814 H GLY 4 -0.304 23.424 6.276
25 HA2 GLY 814 HA2 GLY 4 -1.757 22.991 8.069
26 HA3 GLY 814 HA3 GLY 4 -2.388 24.636 7.998
27 H SER 815 H SER 5 -2.484 23.693 4.863
28 HA SER 815 HA SER 5 -5.080 22.289 4.929
29 HB2 SER 815 HB2 SER 5 -4.406 24.783 3.325
30 HB3 SER 815 HB3 SER 5 -5.921 23.869 3.225
31 HG SER 815 HG SER 5 -6.110 25.694 4.611
32 H VAL 816 H VAL 6 -2.132 21.624 4.122
33 HA VAL 816 HA VAL 6 -1.909 21.421 1.318
34 HB VAL 816 HB VAL 6 -0.597 19.823 3.561
35 HG11 VAL 816 HG11 VAL 6 0.425 20.419 0.797
36 HG12 VAL 816 HG12 VAL 6 -0.139 18.843 1.430
37 HG13 VAL 816 HG13 VAL 6 1.313 19.604 2.106
38 HG21 VAL 816 HG21 VAL 6 -0.330 22.329 3.857
39 HG22 VAL 816 HG22 VAL 6 0.434 22.362 2.256
40 HG23 VAL 816 HG23 VAL 6 1.148 21.444 3.616
41 H GLN 817 H GLN 7 -2.675 20.020 -0.113
42 HA GLN 817 HA GLN 7 -4.062 17.563 0.875
43 HB2 GLN 817 HB2 GLN 7 -5.181 17.655 -1.321
44 HB3 GLN 817 HB3 GLN 7 -5.548 18.998 -0.239
45 HG2 GLN 817 HG2 GLN 7 -4.979 20.523 -1.733
46 HG3 GLN 817 HG3 GLN 7 -3.374 19.863 -1.892
47 HE21 GLN 817 HE21 GLN 7 -3.119 17.950 -3.350
48 HE22 GLN 817 HE22 GLN 7 -4.081 17.950 -4.843
49 H HIS 818 H HIS 8 -3.017 15.663 0.660
50 HA HIS 818 HA HIS 8 -1.008 15.423 -1.552
51 HB2 HIS 818 HB2 HIS 8 -0.896 14.727 1.306
52 HB3 HIS 818 HB3 HIS 8 -0.340 13.479 0.210
53 HD2 HIS 818 HD2 HIS 8 0.748 16.735 1.648
54 HE1 HIS 818 HE1 HIS 8 3.300 16.214 -1.711
55 HE2 HIS 818 HE2 HIS 8 2.806 17.693 0.270
56 H VAL 819 H VAL 9 -2.880 15.152 -2.848
57 HA VAL 819 HA VAL 9 -4.324 12.702 -3.072
58 HB VAL 819 HB VAL 9 -3.491 14.736 -5.148
59 HG11 VAL 819 HG11 VAL 9 -4.028 12.574 -6.257
60 HG12 VAL 819 HG12 VAL 9 -5.300 13.774 -6.520
61 HG13 VAL 819 HG13 VAL 9 -5.545 12.482 -5.328
62 HG21 VAL 819 HG21 VAL 9 -5.886 15.422 -4.893
63 HG22 VAL 819 HG22 VAL 9 -5.011 15.601 -3.375
64 HG23 VAL 819 HG23 VAL 9 -6.086 14.211 -3.607
65 H GLY 820 H GLY 10 -3.612 10.720 -3.347
66 HA2 GLY 820 HA2 GLY 10 -2.257 9.026 -4.302
67 HA3 GLY 820 HA3 GLY 10 -0.993 10.207 -4.641
68 H PHE 821 H PHE 11 -1.960 10.767 -1.422
69 HA PHE 821 HA PHE 11 -0.219 8.592 -0.324
70 HB2 PHE 821 HB2 PHE 11 -0.064 11.436 0.620
71 HB3 PHE 821 HB3 PHE 11 0.951 10.080 1.061
72 HD1 PHE 821 HD1 PHE 11 0.035 12.338 -1.763
73 HD2 PHE 821 HD2 PHE 11 3.041 9.859 0.045
74 HE1 PHE 821 HE1 PHE 11 1.712 13.288 -3.301
75 HE2 PHE 821 HE2 PHE 11 4.701 10.678 -1.642
76 HZ PHE 821 HZ PHE 11 4.059 12.548 -3.167
77 H LYS 822 H LYS 12 -1.957 7.480 0.396
78 HA LYS 822 HA LYS 12 -3.880 8.629 2.366
79 HB2 LYS 822 HB2 LYS 12 -5.022 7.276 1.083
80 HB3 LYS 822 HB3 LYS 12 -3.720 6.269 0.635
81 HG2 LYS 822 HG2 LYS 12 -4.928 6.051 3.457
82 HG3 LYS 822 HG3 LYS 12 -5.736 5.424 2.074
83 HD2 LYS 822 HD2 LYS 12 -3.621 4.100 1.468
84 HD3 LYS 822 HD3 LYS 12 -2.952 4.621 3.031
85 HE2 LYS 822 HE2 LYS 12 -4.859 3.552 4.196
86 HE3 LYS 822 HE3 LYS 12 -5.543 3.063 2.634
87 HZ1 LYS 822 HZ1 LYS 12 -4.323 1.231 3.646
88 HZ2 LYS 822 HZ2 LYS 12 -2.943 2.095 3.729
89 HZ3 LYS 822 HZ3 LYS 12 -3.572 1.658 2.269
90 H CYS 823 H CYS 13 -3.892 8.131 4.520
91 HA CYS 823 HA CYS 13 -1.347 7.802 5.804
92 HB2 CYS 823 HB2 CYS 13 -3.172 9.250 6.602
93 HB3 CYS 823 HB3 CYS 13 -4.181 7.829 6.813
94 H ASP 824 H ASP 14 -0.662 6.304 7.165
95 HA ASP 824 HA ASP 14 -1.595 3.467 6.855
96 HB2 ASP 824 HB2 ASP 14 1.005 4.731 7.787
97 HB3 ASP 824 HB3 ASP 14 0.642 3.027 7.973
98 H ASN 825 H ASN 15 -1.335 6.019 9.243
99 HA ASN 825 HA ASN 15 -1.573 4.278 11.570
100 HB2 ASN 825 HB2 ASN 15 -0.663 6.590 11.726
101 HB3 ASN 825 HB3 ASN 15 -2.278 7.215 11.298
102 HD21 ASN 825 HD21 ASN 15 -2.616 8.289 13.266
103 HD22 ASN 825 HD22 ASN 15 -2.822 7.393 14.784
104 H CYS 826 H CYS 16 -3.979 6.462 9.973
105 HA CYS 826 HA CYS 16 -6.140 4.885 11.229
106 HB2 CYS 826 HB2 CYS 16 -7.352 6.848 11.431
107 HB3 CYS 826 HB3 CYS 16 -5.716 7.297 11.901
108 H GLY 827 H GLY 17 -4.842 5.512 8.100
109 HA2 GLY 827 HA2 GLY 17 -5.352 4.267 6.244
110 HA3 GLY 827 HA3 GLY 17 -6.880 3.789 6.934
111 H ILE 828 H ILE 18 -6.529 7.150 7.265
112 HA ILE 828 HA ILE 18 -8.632 7.731 5.515
113 HB ILE 828 HB ILE 18 -8.110 9.082 7.457
114 HG12 ILE 828 HG12 ILE 18 -7.827 10.851 5.010
115 HG13 ILE 828 HG13 ILE 18 -9.317 10.044 5.386
116 HG21 ILE 828 HG21 ILE 18 -5.626 9.068 7.360
117 HG22 ILE 828 HG22 ILE 18 -6.281 10.681 7.466
118 HG23 ILE 828 HG23 ILE 18 -5.651 10.085 5.919
119 HD11 ILE 828 HD11 ILE 18 -9.459 12.287 6.229
120 HD12 ILE 828 HD12 ILE 18 -7.947 12.124 7.134
121 HD13 ILE 828 HD13 ILE 18 -9.383 11.187 7.612
122 H GLU 829 H GLU 19 -8.781 8.596 3.586
123 HA GLU 829 HA GLU 19 -6.920 8.061 1.528
124 HB2 GLU 829 HB2 GLU 19 -8.439 9.942 0.426
125 HB3 GLU 829 HB3 GLU 19 -8.926 8.291 0.484
126 HG2 GLU 829 HG2 GLU 19 -9.748 10.353 2.588
127 HG3 GLU 829 HG3 GLU 19 -10.635 10.118 1.090
128 HA PRO 830 HA PRO 20 -3.977 11.126 0.461
129 HB2 PRO 830 HB2 PRO 20 -6.495 12.609 -0.385
130 HB3 PRO 830 HB3 PRO 20 -4.873 12.588 -1.136
131 HG2 PRO 830 HG2 PRO 20 -7.009 10.898 -1.706
132 HG3 PRO 830 HG3 PRO 20 -5.325 10.630 -2.248
133 HD2 PRO 830 HD2 PRO 20 -6.615 8.941 -0.489
134 HD3 PRO 830 HD3 PRO 20 -4.851 9.150 -0.575
135 H ILE 831 H ILE 21 -3.125 11.675 2.354
136 HA ILE 831 HA ILE 21 -4.289 12.871 4.536
137 HB ILE 831 HB ILE 21 -1.422 12.948 3.555
138 HG12 ILE 831 HG12 ILE 21 -2.536 11.295 5.855
139 HG13 ILE 831 HG13 ILE 21 -2.710 10.718 4.218
140 HG21 ILE 831 HG21 ILE 21 -2.495 13.814 6.270
141 HG22 ILE 831 HG22 ILE 21 -1.570 14.796 5.119
142 HG23 ILE 831 HG23 ILE 21 -0.792 13.464 5.959
143 HD11 ILE 831 HD11 ILE 21 -0.695 9.796 5.253
144 HD12 ILE 831 HD12 ILE 21 -0.035 11.422 5.463
145 HD13 ILE 831 HD13 ILE 21 -0.310 10.787 3.828
146 H GLN 832 H GLN 22 -4.687 14.771 5.388
147 HA GLN 832 HA GLN 22 -4.391 17.150 3.628
148 HB2 GLN 832 HB2 GLN 22 -6.537 16.617 5.685
149 HB3 GLN 832 HB3 GLN 22 -6.400 18.021 4.620
150 HG2 GLN 832 HG2 GLN 22 -6.804 15.171 3.609
151 HG3 GLN 832 HG3 GLN 22 -8.096 16.312 3.907
152 HE21 GLN 832 HE21 GLN 22 -6.429 15.053 1.401
153 HE22 GLN 832 HE22 GLN 22 -6.637 16.413 0.288
154 H GLY 833 H GLY 23 -3.520 18.961 4.401
155 HA2 GLY 833 HA2 GLY 23 -3.263 20.602 6.199
156 HA3 GLY 833 HA3 GLY 23 -2.972 19.307 7.317
157 H VAL 834 H VAL 24 -1.153 17.826 6.598
158 HA VAL 834 HA VAL 24 1.153 18.891 5.215
159 HB VAL 834 HB VAL 24 1.162 19.884 7.498
160 HG11 VAL 834 HG11 VAL 24 1.556 18.619 9.479
161 HG12 VAL 834 HG12 VAL 24 1.559 17.098 8.550
162 HG13 VAL 834 HG13 VAL 24 0.060 18.066 8.698
163 HG21 VAL 834 HG21 VAL 24 3.410 17.884 7.053
164 HG22 VAL 834 HG22 VAL 24 3.462 19.256 8.174
165 HG23 VAL 834 HG23 VAL 24 3.339 19.564 6.444
166 H ARG 835 H ARG 25 2.353 17.078 4.410
167 HA ARG 835 HA ARG 25 1.281 14.356 5.103
168 HB2 ARG 835 HB2 ARG 25 1.499 14.521 2.802
169 HB3 ARG 835 HB3 ARG 25 2.990 15.448 2.880
170 HG2 ARG 835 HG2 ARG 25 4.227 13.418 3.596
171 HG3 ARG 835 HG3 ARG 25 2.729 12.472 3.458
172 HD2 ARG 835 HD2 ARG 25 2.639 12.867 1.075
173 HD3 ARG 835 HD3 ARG 25 3.914 14.087 1.176
174 HE ARG 835 HE ARG 25 4.439 11.234 1.957
175 HH11 ARG 835 HH11 ARG 25 5.193 13.831 -0.301
176 HH12 ARG 835 HH12 ARG 25 6.646 13.050 -0.849
177 HH21 ARG 835 HH21 ARG 25 6.301 10.301 1.198
178 HH22 ARG 835 HH22 ARG 25 7.207 11.060 -0.073
179 H TRP 836 H TRP 26 2.751 12.677 5.811
180 HA TRP 836 HA TRP 26 5.223 13.684 7.160
181 HB2 TRP 836 HB2 TRP 26 3.083 12.099 8.587
182 HB3 TRP 836 HB3 TRP 26 4.735 12.109 9.050
183 HD1 TRP 836 HD1 TRP 26 1.786 14.381 9.153
184 HE1 TRP 836 HE1 TRP 26 2.357 16.379 10.753
185 HE3 TRP 836 HE3 TRP 26 6.800 13.753 9.457
186 HZ2 TRP 836 HZ2 TRP 26 4.630 17.190 12.312
187 HZ3 TRP 836 HZ3 TRP 26 8.152 14.980 11.120
188 HH2 TRP 836 HH2 TRP 26 7.076 16.664 12.600
189 H HIS 837 H HIS 27 6.527 12.823 5.682
190 HA HIS 837 HA HIS 27 6.192 9.979 4.800
191 HB2 HIS 837 HB2 HIS 27 6.723 11.730 3.146
192 HB3 HIS 837 HB3 HIS 27 8.171 12.168 4.035
193 HD2 HIS 837 HD2 HIS 27 10.335 11.109 3.130
194 HE1 HIS 837 HE1 HIS 27 8.755 7.590 1.321
195 HE2 HIS 837 HE2 HIS 27 10.872 8.938 1.740
196 H CYS 838 H CYS 28 7.380 8.261 5.791
197 HA CYS 838 HA CYS 28 9.266 8.965 7.891
198 HB2 CYS 838 HB2 CYS 28 7.758 7.096 7.968
199 HB3 CYS 838 HB3 CYS 28 8.705 6.350 6.656
200 H GLN 839 H GLN 29 11.304 9.182 7.883
201 HA GLN 839 HA GLN 29 12.613 9.732 5.368
202 HB2 GLN 839 HB2 GLN 29 13.652 9.769 8.221
203 HB3 GLN 839 HB3 GLN 29 14.522 10.383 6.810
204 HG2 GLN 839 HG2 GLN 29 12.421 11.827 6.350
205 HG3 GLN 839 HG3 GLN 29 11.924 11.455 7.992
206 HE21 GLN 839 HE21 GLN 29 12.112 13.609 8.846
207 HE22 GLN 839 HE22 GLN 29 13.586 14.538 8.683
208 H ASP 840 H ASP 30 12.877 7.084 7.747
209 HA ASP 840 HA ASP 30 15.167 5.926 6.226
210 HB2 ASP 840 HB2 ASP 30 15.168 6.285 8.748
211 HB3 ASP 840 HB3 ASP 30 13.849 5.193 8.780
212 H CYS 841 H CYS 31 11.700 5.288 6.830
213 HA CYS 841 HA CYS 31 11.683 2.555 6.007
214 HB2 CYS 841 HB2 CYS 31 9.539 4.690 5.922
215 HB3 CYS 841 HB3 CYS 31 9.298 3.106 5.264
216 HA PRO 842 HA PRO 32 12.747 2.961 1.783
217 HB2 PRO 842 HB2 PRO 32 11.987 0.594 0.676
218 HB3 PRO 842 HB3 PRO 32 13.209 0.695 1.981
219 HG2 PRO 842 HG2 PRO 32 10.239 0.094 2.263
220 HG3 PRO 842 HG3 PRO 32 11.624 -0.819 2.945
221 HD2 PRO 842 HD2 PRO 32 10.244 1.082 4.375
222 HD3 PRO 842 HD3 PRO 32 11.987 0.791 4.603
223 HA PRO 843 HA PRO 33 9.438 4.671 -0.702
224 HB2 PRO 843 HB2 PRO 33 10.842 3.308 -3.019
225 HB3 PRO 843 HB3 PRO 33 10.192 4.971 -2.922
226 HG2 PRO 843 HG2 PRO 33 12.839 4.565 -2.598
227 HG3 PRO 843 HG3 PRO 33 11.976 5.640 -1.442
228 HD2 PRO 843 HD2 PRO 33 12.740 2.727 -1.079
229 HD3 PRO 843 HD3 PRO 33 12.939 4.112 0.041
230 H GLU 844 H GLU 34 10.223 1.253 -1.289
231 HA GLU 844 HA GLU 34 7.871 0.413 -2.603
232 HB2 GLU 844 HB2 GLU 34 9.917 -0.913 -2.367
233 HB3 GLU 844 HB3 GLU 34 9.646 -1.076 -0.621
234 HG2 GLU 844 HG2 GLU 34 7.678 -2.444 -0.989
235 HG3 GLU 844 HG3 GLU 34 7.653 -2.048 -2.709
236 H MET 845 H MET 35 8.427 0.954 0.838
237 HA MET 845 HA MET 35 5.654 0.142 1.563
238 HB2 MET 845 HB2 MET 35 8.009 1.109 3.208
239 HB3 MET 845 HB3 MET 35 6.382 0.897 3.857
240 HG2 MET 845 HG2 MET 35 7.967 -1.313 2.510
241 HG3 MET 845 HG3 MET 35 7.912 -1.037 4.247
242 HE1 MET 845 HE1 MET 35 5.891 -1.529 5.836
243 HE2 MET 845 HE2 MET 35 4.295 -2.079 5.294
244 HE3 MET 845 HE3 MET 35 4.811 -0.416 4.961
245 H SER 846 H SER 36 7.714 3.073 1.552
246 HA SER 846 HA SER 36 7.239 5.265 2.038
247 HB2 SER 846 HB2 SER 36 5.587 6.225 0.295
248 HB3 SER 846 HB3 SER 36 7.085 5.466 -0.239
249 HG SER 846 HG SER 36 6.036 3.810 -1.028
250 H LEU 847 H LEU 37 6.470 4.501 4.154
251 HA LEU 847 HA LEU 37 3.633 4.570 4.720
252 HB2 LEU 847 HB2 LEU 37 6.106 4.576 6.434
253 HB3 LEU 847 HB3 LEU 37 4.517 4.731 7.147
254 HG LEU 847 HG LEU 37 4.563 2.444 5.270
255 HD11 LEU 847 HD11 LEU 37 6.178 1.037 6.496
256 HD12 LEU 847 HD12 LEU 37 6.769 2.535 7.270
257 HD13 LEU 847 HD13 LEU 37 6.882 2.354 5.532
258 HD21 LEU 847 HD21 LEU 37 4.239 2.028 8.199
259 HD22 LEU 847 HD22 LEU 37 3.583 1.181 6.823
260 HD23 LEU 847 HD23 LEU 37 2.982 2.788 7.210
261 H ASP 848 H ASP 38 2.400 6.188 5.664
262 HA ASP 848 HA ASP 38 3.572 8.874 5.902
263 HB2 ASP 848 HB2 ASP 38 1.181 8.362 4.134
264 HB3 ASP 848 HB3 ASP 38 1.813 9.920 4.615
265 H PHE 849 H PHE 39 2.418 10.284 7.250
266 HA PHE 849 HA PHE 39 -0.147 9.279 8.386
267 HB2 PHE 849 HB2 PHE 39 1.985 10.562 10.120
268 HB3 PHE 849 HB3 PHE 39 0.500 9.788 10.597
269 HD1 PHE 849 HD1 PHE 39 3.955 9.331 10.468
270 HD2 PHE 849 HD2 PHE 39 0.265 7.242 9.728
271 HE1 PHE 849 HE1 PHE 39 5.040 7.191 11.053
272 HE2 PHE 849 HE2 PHE 39 1.363 5.081 10.298
273 HZ PHE 849 HZ PHE 39 3.755 5.051 10.996
274 H CYS 850 H CYS 40 -1.618 10.781 9.231
275 HA CYS 850 HA CYS 40 -1.669 13.419 8.229
276 HB2 CYS 850 HB2 CYS 40 -3.112 12.193 10.620
277 HB3 CYS 850 HB3 CYS 40 -3.650 13.602 9.708
278 H ASP 851 H ASP 41 -2.111 15.334 9.718
279 HA ASP 851 HA ASP 41 0.181 16.182 11.116
280 HB2 ASP 851 HB2 ASP 41 -1.029 18.125 11.611
281 HB3 ASP 851 HB3 ASP 41 -1.601 17.598 10.041
282 H SER 852 H SER 42 -2.680 14.544 12.368
283 HA SER 852 HA SER 42 -1.813 14.735 15.163
284 HB2 SER 852 HB2 SER 42 -4.200 14.921 14.583
285 HB3 SER 852 HB3 SER 42 -4.155 13.288 13.880
286 HG SER 852 HG SER 42 -4.938 13.333 16.077
287 H CYS 853 H CYS 43 -1.996 12.280 12.570
288 HA CYS 853 HA CYS 43 -1.549 10.003 14.220
289 HB2 CYS 853 HB2 CYS 43 -1.409 10.604 11.273
290 HB3 CYS 853 HB3 CYS 43 -1.221 9.005 11.948
291 H SER 854 H SER 44 0.565 12.228 12.508
292 HA SER 854 HA SER 44 2.987 10.699 12.429
293 HB2 SER 854 HB2 SER 44 4.019 12.872 12.133
294 HB3 SER 854 HB3 SER 44 2.489 12.826 11.259
295 HG SER 854 HG SER 44 2.768 14.763 12.530
296 H ASP 855 H ASP 45 1.301 12.271 15.065
297 HA ASP 855 HA ASP 45 3.560 12.176 16.909
298 HB2 ASP 855 HB2 ASP 45 1.695 13.924 16.951
299 HB3 ASP 855 HB3 ASP 45 0.638 12.654 17.577
300 H CYS 856 H CYS 46 1.409 9.896 15.656
301 HA CYS 856 HA CYS 46 1.050 8.263 18.015
302 HB2 CYS 856 HB2 CYS 46 -0.415 8.507 15.818
303 HB3 CYS 856 HB3 CYS 46 0.678 7.296 15.162
304 HG CYS 856 HG CYS 46 0.388 5.548 17.111
305 H LEU 857 H LEU 47 3.655 8.754 15.974
306 HA LEU 857 HA LEU 47 5.723 7.864 15.725
307 HB2 LEU 857 HB2 LEU 47 5.608 7.929 18.178
308 HB3 LEU 857 HB3 LEU 47 5.023 6.278 18.199
309 HG LEU 857 HG LEU 47 7.126 5.454 17.210
310 HD11 LEU 857 HD11 LEU 47 7.927 7.425 15.989
311 HD12 LEU 857 HD12 LEU 47 9.115 6.985 17.213
312 HD13 LEU 857 HD13 LEU 47 8.033 8.356 17.505
313 HD21 LEU 857 HD21 LEU 47 7.364 7.178 19.716
314 HD22 LEU 857 HD22 LEU 47 8.477 5.876 19.273
315 HD23 LEU 857 HD23 LEU 47 6.793 5.493 19.627
316 H HIS 858 H HIS 48 3.970 5.088 16.710
317 HA HIS 858 HA HIS 48 3.785 3.033 16.128
318 HB2 HIS 858 HB2 HIS 48 1.993 4.271 15.210
319 HB3 HIS 858 HB3 HIS 48 2.942 4.737 13.829
320 HD2 HIS 858 HD2 HIS 48 2.550 3.221 11.676
321 HE1 HIS 858 HE1 HIS 48 0.546 -0.068 13.504
322 HE2 HIS 858 HE2 HIS 48 1.222 0.976 11.286
323 H GLU 859 H GLU 49 3.979 1.118 14.988
324 HA GLU 859 HA GLU 49 6.332 0.907 13.240
325 HB2 GLU 859 HB2 GLU 49 6.088 -0.986 15.589
326 HB3 GLU 859 HB3 GLU 49 7.437 -0.670 14.571
327 HG2 GLU 859 HG2 GLU 49 7.572 1.673 15.620
328 HG3 GLU 859 HG3 GLU 49 6.323 1.141 16.735
329 H THR 860 H THR 50 6.376 -0.847 11.905
330 HA THR 860 HA THR 50 4.111 -2.825 11.996
331 HB THR 860 HB THR 50 3.803 -2.744 9.637
332 HG1 THR 860 HG1 THR 50 4.967 -1.358 8.323
333 HG21 THR 860 HG21 THR 50 2.414 -1.110 10.652
334 HG22 THR 860 HG22 THR 50 3.117 -0.358 9.200
335 HG23 THR 860 HG23 THR 50 3.725 0.064 10.821
336 H ASP 861 H ASP 51 5.386 -3.942 9.431
337 HA ASP 861 HA ASP 51 7.396 -5.661 10.626
338 HB2 ASP 861 HB2 ASP 51 6.429 -5.323 7.820
339 HB3 ASP 861 HB3 ASP 51 7.574 -6.544 8.337
340 H ILE 862 H ILE 52 7.258 -2.714 8.712
341 HA ILE 862 HA ILE 52 10.209 -2.610 8.572
342 HB ILE 862 HB ILE 52 8.221 -1.727 6.493
343 HG12 ILE 862 HG12 ILE 52 10.371 -3.913 6.710
344 HG13 ILE 862 HG13 ILE 52 8.628 -4.186 6.650
345 HG21 ILE 862 HG21 ILE 52 11.244 -1.404 6.660
346 HG22 ILE 862 HG22 ILE 52 10.035 -0.097 6.597
347 HG23 ILE 862 HG23 ILE 52 10.272 -1.133 5.196
348 HD11 ILE 862 HD11 ILE 52 9.519 -4.748 4.559
349 HD12 ILE 862 HD12 ILE 52 10.357 -3.188 4.413
350 HD13 ILE 862 HD13 ILE 52 8.562 -3.260 4.388
351 H HIS 863 H HIS 53 7.221 -0.892 9.213
352 HA HIS 863 HA HIS 53 8.469 1.707 9.693
353 HB2 HIS 863 HB2 HIS 53 6.181 1.409 8.917
354 HB3 HIS 863 HB3 HIS 53 5.644 0.713 10.300
355 HD1 HIS 863 HD1 HIS 53 4.717 3.599 8.967
356 HD2 HIS 863 HD2 HIS 53 7.566 3.110 11.905
357 HE1 HIS 863 HE1 HIS 53 6.456 5.366 8.507
358 H LYS 864 H LYS 54 9.521 2.275 11.502
359 HA LYS 864 HA LYS 54 9.036 0.831 14.044
360 HB2 LYS 864 HB2 LYS 54 11.795 1.343 12.880
361 HB3 LYS 864 HB3 LYS 54 11.427 0.668 14.454
362 HG2 LYS 864 HG2 LYS 54 10.777 -0.605 11.743
363 HG3 LYS 864 HG3 LYS 54 12.102 -1.063 12.766
364 HD2 LYS 864 HD2 LYS 54 10.767 -2.138 14.352
365 HD3 LYS 864 HD3 LYS 54 9.306 -1.362 13.850
366 HE2 LYS 864 HE2 LYS 54 9.216 -2.559 11.768
367 HE3 LYS 864 HE3 LYS 54 10.865 -3.129 11.938
368 HZ1 LYS 864 HZ1 LYS 54 10.017 -4.391 13.981
369 HZ2 LYS 864 HZ2 LYS 54 9.433 -4.924 12.552
370 HZ3 LYS 864 HZ3 LYS 54 8.489 -3.994 13.496
371 H GLU 865 H GLU 55 10.028 1.963 15.944
372 HA GLU 865 HA GLU 55 9.912 4.861 15.699
373 HB2 GLU 865 HB2 GLU 55 10.030 4.887 18.050
374 HB3 GLU 865 HB3 GLU 55 8.870 3.674 17.531
375 HG2 GLU 865 HG2 GLU 55 10.633 1.915 18.023
376 HG3 GLU 865 HG3 GLU 55 11.730 3.189 18.524
377 H ASP 866 H ASP 56 12.346 2.868 14.802
378 HA ASP 866 HA ASP 56 14.600 3.750 16.316
379 HB2 ASP 866 HB2 ASP 56 14.269 1.581 15.045
380 HB3 ASP 866 HB3 ASP 56 14.561 2.526 13.596
381 H HIS 867 H HIS 57 12.797 5.150 13.787
382 HA HIS 867 HA HIS 57 14.905 7.030 12.885
383 HB2 HIS 867 HB2 HIS 57 13.532 6.654 10.687
384 HB3 HIS 867 HB3 HIS 57 14.749 5.534 11.160
385 HD1 HIS 867 HD1 HIS 57 13.900 3.487 10.016
386 HD2 HIS 867 HD2 HIS 57 10.969 5.772 11.924
387 HE1 HIS 867 HE1 HIS 57 11.706 3.272 8.745
388 H GLN 868 H GLN 58 13.165 8.367 11.177
389 HA GLN 868 HA GLN 58 11.319 9.815 12.927
390 HB2 GLN 868 HB2 GLN 58 12.436 11.952 12.584
391 HB3 GLN 868 HB3 GLN 58 13.483 10.827 13.436
392 HG2 GLN 868 HG2 GLN 58 13.695 11.365 10.431
393 HG3 GLN 868 HG3 GLN 58 14.574 12.271 11.648
394 HE21 GLN 868 HE21 GLN 58 16.080 10.958 13.117
395 HE22 GLN 868 HE22 GLN 58 16.813 9.545 12.371
396 H LEU 869 H LEU 59 10.018 11.398 11.860
397 HA LEU 869 HA LEU 59 9.467 10.731 9.012
398 HB2 LEU 869 HB2 LEU 59 7.752 12.233 11.032
399 HB3 LEU 869 HB3 LEU 59 7.280 11.652 9.440
400 HG LEU 869 HG LEU 59 6.196 10.363 10.997
401 HD11 LEU 869 HD11 LEU 59 6.891 8.093 10.425
402 HD12 LEU 869 HD12 LEU 59 8.478 8.697 9.961
403 HD13 LEU 869 HD13 LEU 59 7.004 9.197 9.041
404 HD21 LEU 869 HD21 LEU 59 7.695 10.676 12.987
405 HD22 LEU 869 HD22 LEU 59 8.724 9.364 12.332
406 HD23 LEU 869 HD23 LEU 59 7.045 9.046 12.761
407 H GLU 870 H GLU 60 8.815 12.421 7.571
408 HA GLU 870 HA GLU 60 10.099 15.074 8.080
409 HB2 GLU 870 HB2 GLU 60 11.085 13.572 6.291
410 HB3 GLU 870 HB3 GLU 60 9.568 13.702 5.434
411 HG2 GLU 870 HG2 GLU 60 10.937 15.214 4.418
412 HG3 GLU 870 HG3 GLU 60 9.947 16.251 5.452
413 HA PRO 871 HA PRO 61 5.785 16.361 7.500
414 HB2 PRO 871 HB2 PRO 61 5.978 18.953 8.316
415 HB3 PRO 871 HB3 PRO 61 5.954 17.587 9.459
416 HG2 PRO 871 HG2 PRO 61 8.330 19.160 8.468
417 HG3 PRO 871 HG3 PRO 61 8.008 18.546 10.116
418 HD2 PRO 871 HD2 PRO 61 9.644 17.316 8.214
419 HD3 PRO 871 HD3 PRO 61 8.889 16.460 9.582
420 H ILE 872 H ILE 62 4.823 17.209 5.647
421 HA ILE 872 HA ILE 62 6.545 18.861 3.835
422 HB ILE 872 HB ILE 62 4.452 16.999 2.829
423 HG12 ILE 872 HG12 ILE 62 5.999 15.515 4.078
424 HG13 ILE 872 HG13 ILE 62 6.030 15.214 2.362
425 HG21 ILE 872 HG21 ILE 62 5.289 18.813 1.365
426 HG22 ILE 872 HG22 ILE 62 5.712 17.224 0.720
427 HG23 ILE 872 HG23 ILE 62 6.930 18.221 1.540
428 HD11 ILE 872 HD11 ILE 62 8.143 16.340 2.092
429 HD12 ILE 872 HD12 ILE 62 8.280 15.205 3.454
430 HD13 ILE 872 HD13 ILE 62 8.093 16.948 3.750
431 H TYR 873 H TYR 63 5.826 20.761 3.713
432 HA TYR 873 HA TYR 63 3.158 21.486 4.640
433 HB2 TYR 873 HB2 TYR 63 5.657 23.132 4.148
434 HB3 TYR 873 HB3 TYR 63 4.172 23.742 4.833
435 HD1 TYR 873 HD1 TYR 63 3.242 22.347 6.941
436 HD2 TYR 873 HD2 TYR 63 7.358 22.445 5.645
437 HE1 TYR 873 HE1 TYR 63 3.975 21.761 9.238
438 HE2 TYR 873 HE2 TYR 63 8.092 21.859 7.945
439 HH TYR 873 HH TYR 63 7.431 21.568 10.161
440 H ARG 874 H ARG 64 3.928 20.488 1.862
441 HA ARG 874 HA ARG 64 2.276 22.270 0.236
442 HB2 ARG 874 HB2 ARG 64 4.093 22.651 -1.426
443 HB3 ARG 874 HB3 ARG 64 4.394 23.427 0.136
444 HG2 ARG 874 HG2 ARG 64 5.913 21.499 0.746
445 HG3 ARG 874 HG3 ARG 64 5.679 20.848 -0.875
446 HD2 ARG 874 HD2 ARG 64 6.742 23.592 -0.186
447 HD3 ARG 874 HD3 ARG 64 7.766 22.200 -0.537
448 HE ARG 874 HE ARG 64 6.255 23.855 -2.441
449 HH11 ARG 874 HH11 ARG 64 6.525 23.565 -4.615
450 HH12 ARG 874 HH12 ARG 64 7.356 22.160 -5.217
451 HH21 ARG 874 HH21 ARG 64 7.983 20.811 -2.128
452 HH22 ARG 874 HH22 ARG 64 8.161 20.641 -3.852
453 H1 ALA 1 H1 ALA 65 0.381 6.439 2.864
454 H2 ALA 1 H2 ALA 65 2.015 6.568 2.647
455 H3 ALA 1 H3 ALA 65 1.401 5.507 3.753
456 HA ALA 1 HA ALA 65 2.165 4.374 1.799
457 HB1 ALA 1 HB1 ALA 65 0.362 3.304 3.027
458 HB2 ALA 1 HB2 ALA 65 0.105 3.098 1.294
459 HB3 ALA 1 HB3 ALA 65 -0.849 4.302 2.188
460 H ARG 2 H ARG 66 2.691 4.697 -0.206
461 HA ARG 2 HA ARG 66 1.672 6.537 -2.035
462 HB2 ARG 2 HB2 ARG 66 2.864 5.297 -3.712
463 HB3 ARG 2 HB3 ARG 66 3.796 5.388 -2.246
464 HG2 ARG 2 HG2 ARG 66 2.523 2.989 -3.562
465 HG3 ARG 2 HG3 ARG 66 4.182 3.243 -3.063
466 HD2 ARG 2 HD2 ARG 66 3.362 3.037 -0.633
467 HD3 ARG 2 HD3 ARG 66 1.829 2.478 -1.267
468 HE ARG 2 HE ARG 66 4.404 1.069 -1.191
469 HH11 ARG 2 HH11 ARG 66 4.569 -0.964 -1.742
470 HH12 ARG 2 HH12 ARG 66 3.290 -1.812 -2.595
471 HH21 ARG 2 HH21 ARG 66 1.241 0.976 -2.745
472 HH22 ARG 2 HH22 ARG 66 1.416 -0.710 -3.146
473 H THR 3 H THR 67 -0.160 6.799 -2.954
474 HA THR 3 HA THR 67 -1.561 4.568 -4.337
475 HB THR 3 HB THR 67 -3.736 5.622 -3.830
476 HG1 THR 3 HG1 THR 67 -3.885 7.240 -2.337
477 HG21 THR 3 HG21 THR 67 -2.881 3.776 -2.357
478 HG22 THR 3 HG22 THR 67 -4.008 4.882 -1.554
479 HG23 THR 3 HG23 THR 67 -2.268 5.017 -1.234
480 HH31 ALY 4 H26 ALY 68 -1.620 15.141 -8.221
481 HH32 ALY 4 H27 ALY 68 -1.350 15.116 -6.464
482 HH33 ALY 4 H28 ALY 68 -1.995 13.675 -7.280
483 HZ ALY 4 HZ1 ALY 68 0.009 13.129 -5.781
484 HE3 ALY 4 HE3 ALY 68 2.304 12.610 -7.627
485 HE2 ALY 4 HE2 ALY 68 2.619 13.317 -6.038
486 HD3 ALY 4 HD3 ALY 68 2.933 10.913 -5.931
487 HD2 ALY 4 HD2 ALY 68 1.521 11.367 -4.966
488 HG3 ALY 4 HG3 ALY 68 0.027 10.674 -6.834
489 HG2 ALY 4 HG2 ALY 68 1.453 10.163 -7.765
490 HB3 ALY 4 HB3 ALY 68 2.004 8.457 -6.115
491 HB2 ALY 4 HB2 ALY 68 0.853 9.124 -4.965
492 HCA ALY 4 HA ALY 68 -0.983 8.603 -6.697
493 H ALY 4 H ALY 68 0.472 6.596 -5.095
494 H GLN 5 H GLN 69 -1.709 6.901 -8.179
495 HA GLN 5 HA GLN 69 0.046 6.792 -10.536
496 HB2 GLN 5 HB2 GLN 69 -0.003 4.486 -10.887
497 HB3 GLN 5 HB3 GLN 69 0.492 4.676 -9.221
498 HG2 GLN 5 HG2 GLN 69 -2.282 3.861 -10.213
499 HG3 GLN 5 HG3 GLN 69 -1.067 2.789 -9.557
500 HE21 GLN 5 HE21 GLN 69 -3.931 3.973 -8.722
501 HE22 GLN 5 HE22 GLN 69 -3.690 4.194 -6.991
502 H THR 6 H THR 70 -1.091 6.231 -12.542
503 HA THR 6 HA THR 70 -3.699 7.514 -12.663
504 HB THR 6 HB THR 70 -3.563 6.988 -15.091
505 HG1 THR 6 HG1 THR 70 -2.390 5.126 -15.218
506 HG21 THR 6 HG21 THR 70 -0.987 8.178 -13.969
507 HG22 THR 6 HG22 THR 70 -2.519 9.049 -14.182
508 HG23 THR 6 HG23 THR 70 -1.655 8.418 -15.594
509 H ALA 7 H ALA 71 -2.678 4.136 -12.559
510 HA ALA 7 HA ALA 71 -5.185 2.997 -13.423
511 HB1 ALA 7 HB1 ALA 71 -3.056 1.775 -13.517
512 HB2 ALA 7 HB2 ALA 71 -4.240 0.905 -12.528
513 HB3 ALA 7 HB3 ALA 71 -2.932 1.813 -11.737
514 H ARG 8 H ARG 72 -6.837 2.047 -12.216
515 HA ARG 8 HA ARG 72 -7.563 3.301 -9.670
516 HB2 ARG 8 HB2 ARG 72 -8.905 1.136 -11.335
517 HB3 ARG 8 HB3 ARG 72 -9.565 1.812 -9.843
518 HG2 ARG 8 HG2 ARG 72 -9.599 4.084 -10.877
519 HG3 ARG 8 HG3 ARG 72 -8.962 3.399 -12.378
520 HD2 ARG 8 HD2 ARG 72 -11.316 3.665 -12.644
521 HD3 ARG 8 HD3 ARG 72 -10.972 1.931 -12.538
522 HE ARG 8 HE ARG 72 -11.616 3.010 -9.943
523 HH11 ARG 8 HH11 ARG 72 -13.231 2.114 -12.919
524 HH12 ARG 8 HH12 ARG 72 -14.745 1.799 -12.115
525 HH21 ARG 8 HH21 ARG 72 -13.575 2.574 -8.973
526 HH22 ARG 8 HH22 ARG 72 -14.925 2.055 -9.937
Start of MODEL 6
1 H1 GLY 811 H1 GLY 1 -5.043 24.732 -3.584
2 H2 GLY 811 H2 GLY 1 -3.634 24.460 -2.799
3 H3 GLY 811 H3 GLY 1 -4.157 25.996 -3.038
4 HA2 GLY 811 HA2 GLY 1 -6.070 25.645 -1.608
5 HA3 GLY 811 HA3 GLY 1 -5.522 23.981 -1.347
6 HA PRO 812 HA PRO 2 -3.747 27.257 1.666
7 HB2 PRO 812 HB2 PRO 2 -5.550 25.900 3.663
8 HB3 PRO 812 HB3 PRO 2 -5.103 27.626 3.531
9 HG2 PRO 812 HG2 PRO 2 -7.518 26.780 2.652
10 HG3 PRO 812 HG3 PRO 2 -6.566 27.942 1.666
11 HD2 PRO 812 HD2 PRO 2 -6.789 24.931 1.334
12 HD3 PRO 812 HD3 PRO 2 -6.939 26.222 0.107
13 H LEU 813 H LEU 3 -2.045 26.930 3.035
14 HA LEU 813 HA LEU 3 -0.618 24.519 3.055
15 HB2 LEU 813 HB2 LEU 3 -0.359 26.822 5.029
16 HB3 LEU 813 HB3 LEU 3 0.880 25.634 4.643
17 HG LEU 813 HG LEU 3 -0.197 27.768 2.749
18 HD11 LEU 813 HD11 LEU 3 2.493 27.477 4.146
19 HD12 LEU 813 HD12 LEU 3 1.217 28.646 4.565
20 HD13 LEU 813 HD13 LEU 3 2.036 28.756 3.001
21 HD21 LEU 813 HD21 LEU 3 1.660 27.108 1.257
22 HD22 LEU 813 HD22 LEU 3 0.507 25.785 1.472
23 HD23 LEU 813 HD23 LEU 3 2.055 25.757 2.344
24 H GLY 814 H GLY 4 -3.071 25.521 5.343
25 HA2 GLY 814 HA2 GLY 4 -2.428 23.349 7.271
26 HA3 GLY 814 HA3 GLY 4 -3.615 24.635 7.473
27 H SER 815 H SER 5 -3.990 23.278 4.393
28 HA SER 815 HA SER 5 -6.102 21.390 5.212
29 HB2 SER 815 HB2 SER 5 -6.545 23.736 3.339
30 HB3 SER 815 HB3 SER 5 -7.747 22.514 3.801
31 HG SER 815 HG SER 5 -8.020 24.381 5.068
32 H VAL 816 H VAL 6 -3.436 21.167 3.817
33 HA VAL 816 HA VAL 6 -3.624 20.847 1.038
34 HB VAL 816 HB VAL 6 -1.814 19.609 3.147
35 HG11 VAL 816 HG11 VAL 6 -1.422 18.473 1.119
36 HG12 VAL 816 HG12 VAL 6 -0.067 19.533 1.527
37 HG13 VAL 816 HG13 VAL 6 -1.210 20.038 0.249
38 HG21 VAL 816 HG21 VAL 6 -0.371 21.480 2.891
39 HG22 VAL 816 HG22 VAL 6 -1.936 22.158 3.191
40 HG23 VAL 816 HG23 VAL 6 -1.332 22.138 1.525
41 H GLN 817 H GLN 7 -4.259 19.248 -0.277
42 HA GLN 817 HA GLN 7 -5.313 16.754 0.992
43 HB2 GLN 817 HB2 GLN 7 -6.716 16.627 -1.019
44 HB3 GLN 817 HB3 GLN 7 -7.036 18.028 0.013
45 HG2 GLN 817 HG2 GLN 7 -6.754 19.473 -1.631
46 HG3 GLN 817 HG3 GLN 7 -5.160 18.856 -1.996
47 HE21 GLN 817 HE21 GLN 7 -5.107 16.771 -3.327
48 HE22 GLN 817 HE22 GLN 7 -6.289 16.670 -4.642
49 H HIS 818 H HIS 8 -4.092 15.000 0.803
50 HA HIS 818 HA HIS 8 -2.467 14.657 -1.693
51 HB2 HIS 818 HB2 HIS 8 -1.954 14.053 1.182
52 HB3 HIS 818 HB3 HIS 8 -1.349 12.945 -0.044
53 HD2 HIS 818 HD2 HIS 8 -0.359 16.131 1.562
54 HE1 HIS 818 HE1 HIS 8 1.606 16.250 -2.210
55 HE2 HIS 818 HE2 HIS 8 1.393 17.397 0.004
56 H VAL 819 H VAL 9 -4.396 14.068 -2.733
57 HA VAL 819 HA VAL 9 -5.672 11.513 -2.365
58 HB VAL 819 HB VAL 9 -5.490 13.303 -4.778
59 HG11 VAL 819 HG11 VAL 9 -6.077 11.002 -5.455
60 HG12 VAL 819 HG12 VAL 9 -7.482 12.069 -5.560
61 HG13 VAL 819 HG13 VAL 9 -7.333 10.946 -4.191
62 HG21 VAL 819 HG21 VAL 9 -7.649 12.907 -2.643
63 HG22 VAL 819 HG22 VAL 9 -7.809 13.929 -4.088
64 HG23 VAL 819 HG23 VAL 9 -6.643 14.358 -2.835
65 H GLY 820 H GLY 10 -4.500 9.764 -2.223
66 HA2 GLY 820 HA2 GLY 10 -3.237 8.058 -3.573
67 HA3 GLY 820 HA3 GLY 10 -2.135 9.357 -4.005
68 H PHE 821 H PHE 11 -2.735 10.127 -0.834
69 HA PHE 821 HA PHE 11 -0.928 8.013 0.308
70 HB2 PHE 821 HB2 PHE 11 -0.862 10.910 1.155
71 HB3 PHE 821 HB3 PHE 11 0.217 9.616 1.636
72 HD1 PHE 821 HD1 PHE 11 1.027 8.505 -1.080
73 HD2 PHE 821 HD2 PHE 11 0.689 12.494 0.453
74 HE1 PHE 821 HE1 PHE 11 2.619 9.311 -2.806
75 HE2 PHE 821 HE2 PHE 11 2.205 13.317 -1.300
76 HZ PHE 821 HZ PHE 11 3.172 11.769 -2.926
77 H LYS 822 H LYS 12 -2.605 6.827 1.123
78 HA LYS 822 HA LYS 12 -4.500 7.983 3.164
79 HB2 LYS 822 HB2 LYS 12 -5.638 6.449 2.043
80 HB3 LYS 822 HB3 LYS 12 -4.282 5.495 1.590
81 HG2 LYS 822 HG2 LYS 12 -5.102 5.389 4.527
82 HG3 LYS 822 HG3 LYS 12 -6.197 4.763 3.360
83 HD2 LYS 822 HD2 LYS 12 -4.366 3.312 2.387
84 HD3 LYS 822 HD3 LYS 12 -3.266 3.979 3.602
85 HE2 LYS 822 HE2 LYS 12 -3.951 1.801 4.278
86 HE3 LYS 822 HE3 LYS 12 -4.591 3.010 5.401
87 HZ1 LYS 822 HZ1 LYS 12 -6.252 1.284 4.791
88 HZ2 LYS 822 HZ2 LYS 12 -6.192 1.712 3.224
89 HZ3 LYS 822 HZ3 LYS 12 -6.787 2.756 4.346
90 H CYS 823 H CYS 13 -4.119 7.716 5.394
91 HA CYS 823 HA CYS 13 -1.448 7.467 6.388
92 HB2 CYS 823 HB2 CYS 13 -3.322 8.757 7.386
93 HB3 CYS 823 HB3 CYS 13 -4.150 7.224 7.699
94 H ASP 824 H ASP 14 -0.477 5.874 7.544
95 HA ASP 824 HA ASP 14 -1.373 3.038 7.183
96 HB2 ASP 824 HB2 ASP 14 1.266 4.333 7.992
97 HB3 ASP 824 HB3 ASP 14 0.981 2.613 8.025
98 H ASN 825 H ASN 15 -0.777 5.464 9.649
99 HA ASN 825 HA ASN 15 -0.584 3.649 11.850
100 HB2 ASN 825 HB2 ASN 15 0.318 5.967 11.680
101 HB3 ASN 825 HB3 ASN 15 -1.323 6.591 11.847
102 HD21 ASN 825 HD21 ASN 15 -1.433 7.412 13.897
103 HD22 ASN 825 HD22 ASN 15 -0.915 6.543 15.354
104 H CYS 826 H CYS 16 -3.347 5.837 10.984
105 HA CYS 826 HA CYS 16 -5.143 4.033 12.497
106 HB2 CYS 826 HB2 CYS 16 -6.599 5.827 12.805
107 HB3 CYS 826 HB3 CYS 16 -4.998 6.486 13.113
108 H GLY 827 H GLY 17 -4.414 4.926 9.206
109 HA2 GLY 827 HA2 GLY 17 -5.051 3.679 7.402
110 HA3 GLY 827 HA3 GLY 17 -6.429 3.039 8.255
111 H ILE 828 H ILE 18 -6.277 6.456 8.703
112 HA ILE 828 HA ILE 18 -8.605 6.976 7.275
113 HB ILE 828 HB ILE 18 -7.842 8.437 9.034
114 HG12 ILE 828 HG12 ILE 18 -7.938 9.993 6.412
115 HG13 ILE 828 HG13 ILE 18 -9.346 9.222 7.125
116 HG21 ILE 828 HG21 ILE 18 -6.025 10.102 8.726
117 HG22 ILE 828 HG22 ILE 18 -5.586 9.357 7.181
118 HG23 ILE 828 HG23 ILE 18 -5.404 8.479 8.710
119 HD11 ILE 828 HD11 ILE 18 -7.748 11.499 8.352
120 HD12 ILE 828 HD12 ILE 18 -9.055 10.618 9.184
121 HD13 ILE 828 HD13 ILE 18 -9.396 11.545 7.712
122 H GLU 829 H GLU 19 -9.061 7.658 5.305
123 HA GLU 829 HA GLU 19 -7.529 6.970 3.043
124 HB2 GLU 829 HB2 GLU 19 -9.601 9.026 2.752
125 HB3 GLU 829 HB3 GLU 19 -9.406 7.525 1.866
126 HG2 GLU 829 HG2 GLU 19 -10.769 7.858 4.545
127 HG3 GLU 829 HG3 GLU 19 -11.521 7.499 2.999
128 HA PRO 830 HA PRO 20 -5.046 10.085 1.356
129 HB2 PRO 830 HB2 PRO 20 -7.437 11.654 0.331
130 HB3 PRO 830 HB3 PRO 20 -5.798 11.595 -0.337
131 HG2 PRO 830 HG2 PRO 20 -7.670 9.930 -1.292
132 HG3 PRO 830 HG3 PRO 20 -6.027 9.291 -0.934
133 HD2 PRO 830 HD2 PRO 20 -8.569 9.054 0.632
134 HD3 PRO 830 HD3 PRO 20 -7.212 7.887 0.509
135 H ILE 831 H ILE 21 -3.954 11.097 2.851
136 HA ILE 831 HA ILE 21 -5.043 12.392 5.053
137 HB ILE 831 HB ILE 21 -2.236 12.566 3.915
138 HG12 ILE 831 HG12 ILE 21 -3.201 10.949 6.320
139 HG13 ILE 831 HG13 ILE 21 -3.259 10.275 4.705
140 HG21 ILE 831 HG21 ILE 21 -1.525 13.259 6.212
141 HG22 ILE 831 HG22 ILE 21 -3.220 13.363 6.700
142 HG23 ILE 831 HG23 ILE 21 -2.554 14.464 5.464
143 HD11 ILE 831 HD11 ILE 21 -0.870 10.548 4.389
144 HD12 ILE 831 HD12 ILE 21 -1.227 9.591 5.849
145 HD13 ILE 831 HD13 ILE 21 -0.705 11.268 6.002
146 H GLN 832 H GLN 22 -5.501 14.332 5.719
147 HA GLN 832 HA GLN 22 -5.438 16.565 3.760
148 HB2 GLN 832 HB2 GLN 22 -7.307 16.160 6.116
149 HB3 GLN 832 HB3 GLN 22 -7.364 17.459 4.925
150 HG2 GLN 832 HG2 GLN 22 -7.834 14.504 4.327
151 HG3 GLN 832 HG3 GLN 22 -9.081 15.711 4.551
152 HE21 GLN 832 HE21 GLN 22 -7.566 14.049 2.145
153 HE22 GLN 832 HE22 GLN 22 -7.853 15.223 0.854
154 H GLY 833 H GLY 23 -4.584 18.481 4.339
155 HA2 GLY 833 HA2 GLY 23 -4.148 20.240 6.002
156 HA3 GLY 833 HA3 GLY 23 -3.783 19.019 7.164
157 H VAL 834 H VAL 24 -2.015 17.461 6.405
158 HA VAL 834 HA VAL 24 0.177 18.551 4.860
159 HB VAL 834 HB VAL 24 0.177 19.639 7.134
160 HG11 VAL 834 HG11 VAL 24 -0.618 17.792 8.450
161 HG12 VAL 834 HG12 VAL 24 0.873 18.508 9.090
162 HG13 VAL 834 HG13 VAL 24 0.960 16.958 8.209
163 HG21 VAL 834 HG21 VAL 24 2.593 17.880 6.536
164 HG22 VAL 834 HG22 VAL 24 2.587 19.268 7.640
165 HG23 VAL 834 HG23 VAL 24 2.304 19.536 5.924
166 H ARG 835 H ARG 25 1.427 16.811 4.072
167 HA ARG 835 HA ARG 25 0.665 14.051 4.959
168 HB2 ARG 835 HB2 ARG 25 1.006 14.508 2.525
169 HB3 ARG 835 HB3 ARG 25 2.675 14.970 2.855
170 HG2 ARG 835 HG2 ARG 25 2.717 12.454 3.916
171 HG3 ARG 835 HG3 ARG 25 1.377 12.257 2.794
172 HD2 ARG 835 HD2 ARG 25 2.945 13.123 0.971
173 HD3 ARG 835 HD3 ARG 25 4.228 13.162 2.180
174 HE ARG 835 HE ARG 25 3.017 10.575 2.256
175 HH11 ARG 835 HH11 ARG 25 5.127 12.208 -0.067
176 HH12 ARG 835 HH12 ARG 25 5.819 10.680 -0.527
177 HH21 ARG 835 HH21 ARG 25 3.813 8.876 1.642
178 HH22 ARG 835 HH22 ARG 25 5.119 8.745 0.471
179 H TRP 836 H TRP 26 1.957 12.845 6.397
180 HA TRP 836 HA TRP 26 4.697 13.900 6.968
181 HB2 TRP 836 HB2 TRP 26 2.996 12.082 8.698
182 HB3 TRP 836 HB3 TRP 26 4.677 12.424 8.913
183 HD1 TRP 836 HD1 TRP 26 1.368 14.353 9.114
184 HE1 TRP 836 HE1 TRP 26 1.796 16.452 10.583
185 HE3 TRP 836 HE3 TRP 26 6.448 14.266 9.216
186 HZ2 TRP 836 HZ2 TRP 26 4.032 17.693 11.883
187 HZ3 TRP 836 HZ3 TRP 26 7.729 15.800 10.677
188 HH2 TRP 836 HH2 TRP 26 6.538 17.480 12.058
189 H HIS 837 H HIS 27 5.925 13.155 5.549
190 HA HIS 837 HA HIS 27 5.778 10.374 4.469
191 HB2 HIS 837 HB2 HIS 27 5.984 12.031 2.774
192 HB3 HIS 837 HB3 HIS 27 7.210 12.928 3.672
193 HD2 HIS 837 HD2 HIS 27 9.630 12.548 2.951
194 HE1 HIS 837 HE1 HIS 27 9.266 8.790 0.978
195 HE2 HIS 837 HE2 HIS 27 10.855 10.694 1.543
196 H CYS 838 H CYS 28 6.901 8.861 5.503
197 HA CYS 838 HA CYS 28 8.892 9.301 7.470
198 HB2 CYS 838 HB2 CYS 28 7.869 7.050 5.806
199 HB3 CYS 838 HB3 CYS 28 9.472 6.865 6.564
200 H GLN 839 H GLN 29 11.023 9.790 7.403
201 HA GLN 839 HA GLN 29 12.206 10.424 4.829
202 HB2 GLN 839 HB2 GLN 29 13.348 10.585 7.639
203 HB3 GLN 839 HB3 GLN 29 14.131 11.183 6.184
204 HG2 GLN 839 HG2 GLN 29 11.832 12.477 5.823
205 HG3 GLN 839 HG3 GLN 29 11.645 12.230 7.552
206 HE21 GLN 839 HE21 GLN 29 11.822 14.483 8.135
207 HE22 GLN 839 HE22 GLN 29 13.246 15.419 7.734
208 H ASP 840 H ASP 30 12.715 7.862 7.232
209 HA ASP 840 HA ASP 30 15.150 6.926 5.776
210 HB2 ASP 840 HB2 ASP 30 15.240 7.414 8.184
211 HB3 ASP 840 HB3 ASP 30 14.013 6.194 8.475
212 H CYS 841 H CYS 31 11.859 5.855 6.582
213 HA CYS 841 HA CYS 31 12.182 3.155 5.773
214 HB2 CYS 841 HB2 CYS 31 9.639 4.818 5.799
215 HB3 CYS 841 HB3 CYS 31 9.760 3.083 5.677
216 HA PRO 842 HA PRO 32 13.111 3.781 1.578
217 HB2 PRO 842 HB2 PRO 32 12.724 1.331 0.427
218 HB3 PRO 842 HB3 PRO 32 13.943 1.617 1.702
219 HG2 PRO 842 HG2 PRO 32 11.118 0.542 2.038
220 HG3 PRO 842 HG3 PRO 32 12.643 -0.162 2.662
221 HD2 PRO 842 HD2 PRO 32 11.049 1.454 4.199
222 HD3 PRO 842 HD3 PRO 32 12.826 1.482 4.337
223 HA PRO 843 HA PRO 33 9.757 4.991 -1.033
224 HB2 PRO 843 HB2 PRO 33 11.166 3.545 -3.298
225 HB3 PRO 843 HB3 PRO 33 10.445 5.181 -3.284
226 HG2 PRO 843 HG2 PRO 33 13.107 4.915 -2.999
227 HG3 PRO 843 HG3 PRO 33 12.228 6.022 -1.895
228 HD2 PRO 843 HD2 PRO 33 13.138 3.181 -1.373
229 HD3 PRO 843 HD3 PRO 33 13.294 4.632 -0.338
230 H GLU 844 H GLU 34 10.649 1.569 -1.485
231 HA GLU 844 HA GLU 34 8.224 0.558 -2.557
232 HB2 GLU 844 HB2 GLU 34 10.359 -0.657 -2.415
233 HB3 GLU 844 HB3 GLU 34 10.240 -0.722 -0.649
234 HG2 GLU 844 HG2 GLU 34 8.236 -2.129 -0.789
235 HG3 GLU 844 HG3 GLU 34 8.212 -1.978 -2.548
236 H MET 845 H MET 35 9.053 1.484 0.709
237 HA MET 845 HA MET 35 6.317 0.926 1.728
238 HB2 MET 845 HB2 MET 35 8.983 0.500 3.112
239 HB3 MET 845 HB3 MET 35 7.479 0.695 4.010
240 HG2 MET 845 HG2 MET 35 7.910 -1.427 1.883
241 HG3 MET 845 HG3 MET 35 8.146 -1.678 3.610
242 HE1 MET 845 HE1 MET 35 6.310 -1.931 5.406
243 HE2 MET 845 HE2 MET 35 4.580 -1.630 5.131
244 HE3 MET 845 HE3 MET 35 5.722 -0.273 5.113
245 H SER 846 H SER 36 6.758 3.164 0.347
246 HA SER 846 HA SER 36 7.548 5.413 1.951
247 HB2 SER 846 HB2 SER 36 7.315 5.553 -0.496
248 HB3 SER 846 HB3 SER 36 5.567 5.338 -0.339
249 HG SER 846 HG SER 36 7.172 7.521 0.536
250 H LEU 847 H LEU 37 6.806 5.269 3.925
251 HA LEU 847 HA LEU 37 4.066 4.666 4.655
252 HB2 LEU 847 HB2 LEU 37 6.727 4.976 6.032
253 HB3 LEU 847 HB3 LEU 37 5.302 5.168 6.997
254 HG LEU 847 HG LEU 37 5.422 2.723 5.163
255 HD11 LEU 847 HD11 LEU 37 6.823 1.530 6.867
256 HD12 LEU 847 HD12 LEU 37 7.356 3.182 7.360
257 HD13 LEU 847 HD13 LEU 37 7.605 2.605 5.729
258 HD21 LEU 847 HD21 LEU 37 3.535 2.699 6.486
259 HD22 LEU 847 HD22 LEU 37 4.353 3.278 7.932
260 HD23 LEU 847 HD23 LEU 37 4.612 1.610 7.322
261 H ASP 848 H ASP 38 2.682 5.873 5.915
262 HA ASP 848 HA ASP 38 2.999 8.830 5.777
263 HB2 ASP 848 HB2 ASP 38 0.567 7.237 4.945
264 HB3 ASP 848 HB3 ASP 38 0.764 8.985 4.922
265 H PHE 849 H PHE 39 2.153 9.995 7.408
266 HA PHE 849 HA PHE 39 0.153 8.749 9.208
267 HB2 PHE 849 HB2 PHE 39 2.405 10.508 10.243
268 HB3 PHE 849 HB3 PHE 39 1.125 9.779 11.145
269 HD1 PHE 849 HD1 PHE 39 1.533 7.800 12.303
270 HD2 PHE 849 HD2 PHE 39 4.068 8.705 8.909
271 HE1 PHE 849 HE1 PHE 39 2.781 5.701 12.659
272 HE2 PHE 849 HE2 PHE 39 5.285 6.692 9.289
273 HZ PHE 849 HZ PHE 39 4.634 5.035 11.125
274 H CYS 850 H CYS 40 -1.594 10.068 9.639
275 HA CYS 850 HA CYS 40 -1.819 12.512 8.204
276 HB2 CYS 850 HB2 CYS 40 -3.927 12.717 9.326
277 HB3 CYS 850 HB3 CYS 40 -3.805 11.157 8.528
278 H ASP 851 H ASP 41 -2.593 14.584 9.224
279 HA ASP 851 HA ASP 41 -0.794 15.746 11.035
280 HB2 ASP 851 HB2 ASP 41 -2.304 17.531 11.119
281 HB3 ASP 851 HB3 ASP 41 -2.361 16.916 9.472
282 H SER 852 H SER 42 -3.334 13.573 11.772
283 HA SER 852 HA SER 42 -3.489 14.318 14.617
284 HB2 SER 852 HB2 SER 42 -5.513 13.562 13.234
285 HB3 SER 852 HB3 SER 42 -4.832 11.932 13.348
286 HG SER 852 HG SER 42 -6.323 12.410 15.069
287 H CYS 853 H CYS 43 -2.398 11.572 12.610
288 HA CYS 853 HA CYS 43 -1.428 9.962 14.783
289 HB2 CYS 853 HB2 CYS 43 -1.472 9.890 11.781
290 HB3 CYS 853 HB3 CYS 43 -0.594 8.695 12.650
291 H SER 854 H SER 44 -0.003 12.403 12.704
292 HA SER 854 HA SER 44 2.678 11.540 12.646
293 HB2 SER 854 HB2 SER 44 3.210 13.791 12.068
294 HB3 SER 854 HB3 SER 44 1.660 13.364 11.372
295 HG SER 854 HG SER 44 2.176 15.126 13.546
296 H ASP 855 H ASP 45 0.973 12.636 15.435
297 HA ASP 855 HA ASP 45 3.259 13.379 17.051
298 HB2 ASP 855 HB2 ASP 45 0.871 14.108 17.421
299 HB3 ASP 855 HB3 ASP 45 0.481 12.451 17.878
300 H CYS 856 H CYS 46 2.107 10.403 15.831
301 HA CYS 856 HA CYS 46 2.767 8.658 18.022
302 HB2 CYS 856 HB2 CYS 46 1.053 8.288 16.045
303 HB3 CYS 856 HB3 CYS 46 2.481 7.905 15.090
304 HG CYS 856 HG CYS 46 1.343 6.461 17.867
305 H LEU 857 H LEU 47 4.402 7.077 17.961
306 HA LEU 857 HA LEU 47 6.715 7.479 16.143
307 HB2 LEU 857 HB2 LEU 47 7.277 8.548 18.261
308 HB3 LEU 857 HB3 LEU 47 6.919 7.071 19.151
309 HG LEU 857 HG LEU 47 8.801 5.913 18.121
310 HD11 LEU 857 HD11 LEU 47 9.024 8.425 16.413
311 HD12 LEU 857 HD12 LEU 47 8.900 6.725 15.883
312 HD13 LEU 857 HD13 LEU 47 10.385 7.320 16.637
313 HD21 LEU 857 HD21 LEU 47 9.589 8.731 19.004
314 HD22 LEU 857 HD22 LEU 47 10.643 7.299 19.015
315 HD23 LEU 857 HD23 LEU 47 9.238 7.363 20.085
316 H HIS 858 H HIS 48 6.127 5.836 14.859
317 HA HIS 858 HA HIS 48 5.401 3.218 16.058
318 HB2 HIS 858 HB2 HIS 48 3.672 4.486 14.791
319 HB3 HIS 858 HB3 HIS 48 4.701 4.375 13.361
320 HD2 HIS 858 HD2 HIS 48 3.922 2.503 11.784
321 HE1 HIS 858 HE1 HIS 48 2.342 -0.275 14.614
322 HE2 HIS 858 HE2 HIS 48 2.704 0.184 12.136
323 H GLU 859 H GLU 49 5.839 1.279 15.033
324 HA GLU 859 HA GLU 49 8.117 1.185 13.202
325 HB2 GLU 859 HB2 GLU 49 8.182 -0.592 15.655
326 HB3 GLU 859 HB3 GLU 49 9.434 -0.250 14.523
327 HG2 GLU 859 HG2 GLU 49 9.484 2.130 15.368
328 HG3 GLU 859 HG3 GLU 49 8.313 1.672 16.593
329 H THR 860 H THR 50 8.182 -0.600 11.908
330 HA THR 860 HA THR 50 6.178 -2.796 12.324
331 HB THR 860 HB THR 50 5.597 -2.943 10.075
332 HG1 THR 860 HG1 THR 50 6.581 -1.768 8.454
333 HG21 THR 860 HG21 THR 50 5.564 0.041 10.797
334 HG22 THR 860 HG22 THR 50 4.313 -1.166 11.068
335 HG23 THR 860 HG23 THR 50 4.725 -0.689 9.409
336 H ASP 861 H ASP 51 7.423 -4.043 9.803
337 HA ASP 861 HA ASP 51 9.728 -5.353 11.020
338 HB2 ASP 861 HB2 ASP 51 8.468 -5.564 8.322
339 HB3 ASP 861 HB3 ASP 51 9.808 -6.548 8.875
340 H ILE 862 H ILE 52 9.051 -2.841 8.687
341 HA ILE 862 HA ILE 52 11.925 -2.413 8.162
342 HB ILE 862 HB ILE 52 9.503 -1.703 6.515
343 HG12 ILE 862 HG12 ILE 52 11.918 -3.591 6.266
344 HG13 ILE 862 HG13 ILE 52 10.228 -4.073 6.448
345 HG21 ILE 862 HG21 ILE 52 11.057 0.166 6.413
346 HG22 ILE 862 HG22 ILE 52 11.197 -0.769 4.927
347 HG23 ILE 862 HG23 ILE 52 12.432 -0.942 6.211
348 HD11 ILE 862 HD11 ILE 52 9.743 -3.057 4.242
349 HD12 ILE 862 HD12 ILE 52 10.869 -4.433 4.201
350 HD13 ILE 862 HD13 ILE 52 11.500 -2.788 4.037
351 H HIS 863 H HIS 53 8.869 -0.874 9.158
352 HA HIS 863 HA HIS 53 10.042 1.746 9.431
353 HB2 HIS 863 HB2 HIS 53 8.026 1.855 8.797
354 HB3 HIS 863 HB3 HIS 53 7.324 0.549 9.481
355 HD1 HIS 863 HD1 HIS 53 5.364 2.331 9.662
356 HD2 HIS 863 HD2 HIS 53 8.896 3.351 11.579
357 HE1 HIS 863 HE1 HIS 53 6.008 4.625 8.848
358 H LYS 864 H LYS 54 10.983 2.691 11.142
359 HA LYS 864 HA LYS 54 10.872 1.366 13.789
360 HB2 LYS 864 HB2 LYS 54 13.491 2.039 12.399
361 HB3 LYS 864 HB3 LYS 54 13.270 1.408 14.002
362 HG2 LYS 864 HG2 LYS 54 12.502 -0.087 11.432
363 HG3 LYS 864 HG3 LYS 54 13.960 -0.347 12.333
364 HD2 LYS 864 HD2 LYS 54 12.865 -1.422 14.133
365 HD3 LYS 864 HD3 LYS 54 11.329 -0.791 13.705
366 HE2 LYS 864 HE2 LYS 54 11.315 -3.058 13.041
367 HE3 LYS 864 HE3 LYS 54 11.338 -2.080 11.585
368 HZ1 LYS 864 HZ1 LYS 54 12.898 -3.893 11.353
369 HZ2 LYS 864 HZ2 LYS 54 13.672 -3.533 12.755
370 HZ3 LYS 864 HZ3 LYS 54 13.793 -2.534 11.460
371 H GLU 865 H GLU 55 11.597 2.636 15.559
372 HA GLU 865 HA GLU 55 11.087 5.449 15.275
373 HB2 GLU 865 HB2 GLU 55 11.284 5.510 17.661
374 HB3 GLU 865 HB3 GLU 55 10.395 4.065 17.212
375 HG2 GLU 865 HG2 GLU 55 12.623 2.805 17.507
376 HG3 GLU 865 HG3 GLU 55 13.307 4.304 18.109
377 H ASP 866 H ASP 56 13.736 3.966 14.294
378 HA ASP 866 HA ASP 56 15.933 5.311 15.506
379 HB2 ASP 866 HB2 ASP 56 15.602 3.809 12.950
380 HB3 ASP 866 HB3 ASP 56 17.142 4.422 13.511
381 H HIS 867 H HIS 57 13.583 6.372 13.248
382 HA HIS 867 HA HIS 57 15.411 8.201 11.824
383 HB2 HIS 867 HB2 HIS 57 13.864 8.002 10.083
384 HB3 HIS 867 HB3 HIS 57 14.300 6.437 10.684
385 HD1 HIS 867 HD1 HIS 57 11.303 8.555 12.163
386 HD2 HIS 867 HD2 HIS 57 12.349 5.217 9.864
387 HE1 HIS 867 HE1 HIS 57 9.121 7.686 11.176
388 H GLN 868 H GLN 58 13.352 9.615 10.659
389 HA GLN 868 HA GLN 58 11.810 11.183 12.546
390 HB2 GLN 868 HB2 GLN 58 12.648 13.361 11.764
391 HB3 GLN 868 HB3 GLN 58 13.898 12.456 12.598
392 HG2 GLN 868 HG2 GLN 58 13.682 12.551 9.552
393 HG3 GLN 868 HG3 GLN 58 14.598 13.720 10.499
394 HE21 GLN 868 HE21 GLN 58 16.351 12.703 12.004
395 HE22 GLN 868 HE22 GLN 58 17.180 11.320 11.301
396 H LEU 869 H LEU 59 10.245 12.606 11.393
397 HA LEU 869 HA LEU 59 9.436 11.485 8.736
398 HB2 LEU 869 HB2 LEU 59 7.813 13.040 10.780
399 HB3 LEU 869 HB3 LEU 59 7.235 12.284 9.289
400 HG LEU 869 HG LEU 59 6.451 11.102 11.140
401 HD11 LEU 869 HD11 LEU 59 7.118 8.834 10.564
402 HD12 LEU 869 HD12 LEU 59 8.604 9.445 9.811
403 HD13 LEU 869 HD13 LEU 59 7.005 9.824 9.118
404 HD21 LEU 869 HD21 LEU 59 8.214 11.597 12.819
405 HD22 LEU 869 HD22 LEU 59 9.203 10.302 12.089
406 HD23 LEU 869 HD23 LEU 59 7.628 9.928 12.794
407 H GLU 870 H GLU 60 8.569 12.927 7.157
408 HA GLU 870 HA GLU 60 9.535 15.759 7.362
409 HB2 GLU 870 HB2 GLU 60 10.745 14.448 5.722
410 HB3 GLU 870 HB3 GLU 60 9.241 13.932 4.976
411 HG2 GLU 870 HG2 GLU 60 10.298 15.558 3.640
412 HG3 GLU 870 HG3 GLU 60 8.778 16.222 4.245
413 HA PRO 871 HA PRO 61 5.076 16.540 6.880
414 HB2 PRO 871 HB2 PRO 61 5.029 19.168 7.558
415 HB3 PRO 871 HB3 PRO 61 5.194 17.864 8.766
416 HG2 PRO 871 HG2 PRO 61 7.352 19.623 7.595
417 HG3 PRO 871 HG3 PRO 61 7.151 19.085 9.290
418 HD2 PRO 871 HD2 PRO 61 8.847 17.909 7.411
419 HD3 PRO 871 HD3 PRO 61 8.218 17.069 8.850
420 H ILE 872 H ILE 62 3.980 17.196 4.992
421 HA ILE 872 HA ILE 62 5.412 19.048 3.132
422 HB ILE 872 HB ILE 62 3.487 17.022 2.155
423 HG12 ILE 872 HG12 ILE 62 6.380 16.578 2.952
424 HG13 ILE 872 HG13 ILE 62 4.950 15.554 3.228
425 HG21 ILE 872 HG21 ILE 62 4.258 19.063 0.813
426 HG22 ILE 872 HG22 ILE 62 4.633 17.521 0.056
427 HG23 ILE 872 HG23 ILE 62 5.906 18.423 0.905
428 HD11 ILE 872 HD11 ILE 62 6.440 16.024 0.657
429 HD12 ILE 872 HD12 ILE 62 4.895 15.132 0.768
430 HD13 ILE 872 HD13 ILE 62 6.354 14.518 1.603
431 H TYR 873 H TYR 63 4.465 20.879 2.975
432 HA TYR 873 HA TYR 63 1.751 21.302 3.980
433 HB2 TYR 873 HB2 TYR 63 4.071 23.200 3.482
434 HB3 TYR 873 HB3 TYR 63 2.499 23.686 4.085
435 HD1 TYR 873 HD1 TYR 63 1.612 22.648 6.256
436 HD2 TYR 873 HD2 TYR 63 5.744 22.414 5.030
437 HE1 TYR 873 HE1 TYR 63 2.269 22.127 8.591
438 HE2 TYR 873 HE2 TYR 63 6.402 21.898 7.376
439 HH TYR 873 HH TYR 63 4.025 21.741 10.054
440 H ARG 874 H ARG 64 2.523 20.317 1.251
441 HA ARG 874 HA ARG 64 0.601 21.774 -0.343
442 HB2 ARG 874 HB2 ARG 64 2.191 22.307 -2.185
443 HB3 ARG 874 HB3 ARG 64 2.470 23.248 -0.720
444 HG2 ARG 874 HG2 ARG 64 4.347 21.734 -0.093
445 HG3 ARG 874 HG3 ARG 64 4.092 20.794 -1.571
446 HD2 ARG 874 HD2 ARG 64 4.648 23.768 -1.468
447 HD3 ARG 874 HD3 ARG 64 5.918 22.530 -1.642
448 HE ARG 874 HE ARG 64 4.079 22.019 -3.692
449 HH11 ARG 874 HH11 ARG 64 6.254 24.650 -2.896
450 HH12 ARG 874 HH12 ARG 64 6.404 25.150 -4.558
451 HH21 ARG 874 HH21 ARG 64 4.306 22.719 -5.789
452 HH22 ARG 874 HH22 ARG 64 5.340 24.069 -6.152
453 H1 ALA 1 H1 ALA 65 0.454 4.100 4.071
454 H2 ALA 1 H2 ALA 65 -0.681 5.062 3.364
455 H3 ALA 1 H3 ALA 65 0.905 5.446 3.240
456 HA ALA 1 HA ALA 65 1.334 3.424 2.020
457 HB1 ALA 1 HB1 ALA 65 -0.548 2.160 1.075
458 HB2 ALA 1 HB2 ALA 65 -1.704 3.152 1.990
459 HB3 ALA 1 HB3 ALA 65 -0.559 2.079 2.838
460 H ARG 2 H ARG 66 2.122 4.360 0.388
461 HA ARG 2 HA ARG 66 1.120 6.353 -1.312
462 HB2 ARG 2 HB2 ARG 66 3.050 5.891 -2.646
463 HB3 ARG 2 HB3 ARG 66 3.468 5.747 -0.961
464 HG2 ARG 2 HG2 ARG 66 3.283 3.572 -3.057
465 HG3 ARG 2 HG3 ARG 66 4.653 4.049 -2.091
466 HD2 ARG 2 HD2 ARG 66 3.572 3.040 -0.074
467 HD3 ARG 2 HD3 ARG 66 2.216 2.504 -1.071
468 HE ARG 2 HE ARG 66 4.864 1.299 -0.874
469 HH11 ARG 2 HH11 ARG 66 2.125 1.521 -3.104
470 HH12 ARG 2 HH12 ARG 66 2.550 0.009 -3.849
471 HH21 ARG 2 HH21 ARG 66 5.313 -0.534 -1.862
472 HH22 ARG 2 HH22 ARG 66 4.317 -1.146 -3.170
473 H THR 3 H THR 67 -1.167 5.366 -1.441
474 HA THR 3 HA THR 67 -1.711 3.383 -3.497
475 HB THR 3 HB THR 67 -4.006 4.284 -3.444
476 HG1 THR 3 HG1 THR 67 -4.481 5.965 -2.037
477 HG21 THR 3 HG21 THR 67 -4.557 3.731 -1.143
478 HG22 THR 3 HG22 THR 67 -2.878 3.997 -0.623
479 HG23 THR 3 HG23 THR 67 -3.277 2.636 -1.701
480 HH31 ALY 4 H26 ALY 68 1.926 15.034 -4.499
481 HH32 ALY 4 H27 ALY 68 0.246 15.546 -4.210
482 HH33 ALY 4 H28 ALY 68 1.014 15.861 -5.781
483 HZ ALY 4 HZ1 ALY 68 0.945 12.981 -3.686
484 HE3 ALY 4 HE3 ALY 68 -0.095 10.929 -3.950
485 HE2 ALY 4 HE2 ALY 68 -0.828 11.495 -5.459
486 HD3 ALY 4 HD3 ALY 68 1.467 11.279 -6.546
487 HD2 ALY 4 HD2 ALY 68 2.025 10.461 -5.087
488 HG3 ALY 4 HG3 ALY 68 -0.354 9.569 -6.777
489 HG2 ALY 4 HG2 ALY 68 1.287 8.964 -7.012
490 HB3 ALY 4 HB3 ALY 68 1.317 7.858 -4.892
491 HB2 ALY 4 HB2 ALY 68 -0.094 8.725 -4.325
492 HCA ALY 4 HA ALY 68 -1.450 7.580 -6.170
493 H ALY 4 H ALY 68 -0.748 6.700 -3.633
494 H GLN 5 H GLN 69 1.050 5.124 -5.408
495 HA GLN 5 HA GLN 69 2.297 5.130 -8.011
496 HB2 GLN 5 HB2 GLN 69 2.252 3.045 -5.793
497 HB3 GLN 5 HB3 GLN 69 3.198 2.905 -7.283
498 HG2 GLN 5 HG2 GLN 69 4.368 5.042 -6.743
499 HG3 GLN 5 HG3 GLN 69 3.488 5.136 -5.217
500 HE21 GLN 5 HE21 GLN 69 6.066 5.247 -4.768
501 HE22 GLN 5 HE22 GLN 69 6.712 3.697 -4.255
502 H THR 6 H THR 70 1.589 4.401 -9.870
503 HA THR 6 HA THR 70 0.259 3.579 -11.485
504 HB THR 6 HB THR 70 -0.064 1.039 -9.862
505 HG1 THR 6 HG1 THR 70 2.122 1.643 -9.853
506 HG21 THR 6 HG21 THR 70 0.232 -0.029 -12.102
507 HG22 THR 6 HG22 THR 70 0.230 1.577 -12.862
508 HG23 THR 6 HG23 THR 70 -1.223 0.962 -12.054
509 H ALA 7 H ALA 71 -1.082 5.285 -9.680
510 HA ALA 7 HA ALA 71 -3.774 4.338 -9.205
511 HB1 ALA 7 HB1 ALA 71 -2.655 7.162 -9.445
512 HB2 ALA 7 HB2 ALA 71 -2.812 6.201 -7.950
513 HB3 ALA 7 HB3 ALA 71 -4.260 6.731 -8.820
514 H ARG 8 H ARG 72 -5.702 5.003 -10.276
515 HA ARG 8 HA ARG 72 -5.629 6.098 -13.006
516 HB2 ARG 8 HB2 ARG 72 -5.246 3.669 -13.314
517 HB3 ARG 8 HB3 ARG 72 -6.743 3.319 -12.440
518 HG2 ARG 8 HG2 ARG 72 -8.043 4.530 -14.178
519 HG3 ARG 8 HG3 ARG 72 -6.550 4.920 -15.040
520 HD2 ARG 8 HD2 ARG 72 -7.598 2.107 -14.491
521 HD3 ARG 8 HD3 ARG 72 -7.818 2.978 -16.003
522 HE ARG 8 HE ARG 72 -5.385 1.669 -15.022
523 HH11 ARG 8 HH11 ARG 72 -6.575 3.932 -17.426
524 HH12 ARG 8 HH12 ARG 72 -5.159 3.744 -18.428
525 HH21 ARG 8 HH21 ARG 72 -3.630 1.469 -16.353
526 HH22 ARG 8 HH22 ARG 72 -3.549 2.372 -17.838
Start of MODEL 7
1 H1 GLY 811 H1 GLY 1 -4.484 30.605 6.471
2 H2 GLY 811 H2 GLY 1 -3.990 29.107 6.913
3 H3 GLY 811 H3 GLY 1 -5.342 29.291 6.004
4 HA2 GLY 811 HA2 GLY 1 -4.059 30.145 4.143
5 HA3 GLY 811 HA3 GLY 1 -2.594 29.967 5.123
6 HA PRO 812 HA PRO 2 -4.117 26.125 2.688
7 HB2 PRO 812 HB2 PRO 2 -2.473 26.067 0.471
8 HB3 PRO 812 HB3 PRO 2 -4.007 26.979 0.556
9 HG2 PRO 812 HG2 PRO 2 -1.203 28.026 1.072
10 HG3 PRO 812 HG3 PRO 2 -2.464 28.720 0.002
11 HD2 PRO 812 HD2 PRO 2 -2.112 29.666 2.499
12 HD3 PRO 812 HD3 PRO 2 -3.764 29.440 1.851
13 H LEU 813 H LEU 3 -0.931 27.115 3.555
14 HA LEU 813 HA LEU 3 0.468 24.620 3.452
15 HB2 LEU 813 HB2 LEU 3 0.894 26.933 5.387
16 HB3 LEU 813 HB3 LEU 3 2.056 25.672 4.993
17 HG LEU 813 HG LEU 3 1.059 27.828 3.082
18 HD11 LEU 813 HD11 LEU 3 2.589 28.647 4.842
19 HD12 LEU 813 HD12 LEU 3 3.351 28.681 3.249
20 HD13 LEU 813 HD13 LEU 3 3.770 27.399 4.404
21 HD21 LEU 813 HD21 LEU 3 3.165 25.663 2.655
22 HD22 LEU 813 HD22 LEU 3 2.827 27.019 1.556
23 HD23 LEU 813 HD23 LEU 3 1.596 25.780 1.825
24 H GLY 814 H GLY 4 -1.991 25.660 5.683
25 HA2 GLY 814 HA2 GLY 4 -1.469 23.370 7.536
26 HA3 GLY 814 HA3 GLY 4 -2.515 24.749 7.850
27 H SER 815 H SER 5 -2.897 23.491 4.667
28 HA SER 815 HA SER 5 -5.186 21.782 5.332
29 HB2 SER 815 HB2 SER 5 -5.935 24.173 5.288
30 HB3 SER 815 HB3 SER 5 -5.474 24.246 3.580
31 HG SER 815 HG SER 5 -7.025 22.628 3.148
32 H VAL 816 H VAL 6 -2.527 21.397 4.086
33 HA VAL 816 HA VAL 6 -2.589 21.189 1.269
34 HB VAL 816 HB VAL 6 -0.927 19.803 3.420
35 HG11 VAL 816 HG11 VAL 6 0.855 19.656 1.857
36 HG12 VAL 816 HG12 VAL 6 -0.145 20.391 0.579
37 HG13 VAL 816 HG13 VAL 6 -0.567 18.785 1.259
38 HG21 VAL 816 HG21 VAL 6 0.635 21.608 3.261
39 HG22 VAL 816 HG22 VAL 6 -0.907 22.331 3.603
40 HG23 VAL 816 HG23 VAL 6 -0.294 22.393 1.942
41 H GLN 817 H GLN 7 -3.306 19.687 -0.076
42 HA GLN 817 HA GLN 7 -4.435 17.169 1.048
43 HB2 GLN 817 HB2 GLN 7 -5.618 17.064 -1.109
44 HB3 GLN 817 HB3 GLN 7 -6.032 18.457 -0.115
45 HG2 GLN 817 HG2 GLN 7 -5.625 19.879 -1.750
46 HG3 GLN 817 HG3 GLN 7 -3.969 19.344 -1.878
47 HE21 GLN 817 HE21 GLN 7 -3.543 17.372 -3.180
48 HE22 GLN 817 HE22 GLN 7 -4.504 17.161 -4.658
49 H HIS 818 H HIS 8 -3.307 15.310 0.874
50 HA HIS 818 HA HIS 8 -1.353 15.056 -1.388
51 HB2 HIS 818 HB2 HIS 8 -1.103 14.506 1.490
52 HB3 HIS 818 HB3 HIS 8 -0.552 13.216 0.439
53 HD2 HIS 818 HD2 HIS 8 0.452 16.666 1.566
54 HE1 HIS 818 HE1 HIS 8 2.953 15.851 -1.775
55 HE2 HIS 818 HE2 HIS 8 2.476 17.498 0.058
56 H VAL 819 H VAL 9 -3.269 14.653 -2.591
57 HA VAL 819 HA VAL 9 -4.599 12.123 -2.666
58 HB VAL 819 HB VAL 9 -3.936 14.122 -4.832
59 HG11 VAL 819 HG11 VAL 9 -4.332 11.917 -5.879
60 HG12 VAL 819 HG12 VAL 9 -5.702 12.999 -6.138
61 HG13 VAL 819 HG13 VAL 9 -5.819 11.722 -4.914
62 HG21 VAL 819 HG21 VAL 9 -6.463 13.473 -3.222
63 HG22 VAL 819 HG22 VAL 9 -6.366 14.662 -4.541
64 HG23 VAL 819 HG23 VAL 9 -5.475 14.936 -3.045
65 H GLY 820 H GLY 10 -3.853 10.168 -2.967
66 HA2 GLY 820 HA2 GLY 10 -2.464 8.491 -3.890
67 HA3 GLY 820 HA3 GLY 10 -1.241 9.692 -4.285
68 H PHE 821 H PHE 11 -2.141 10.313 -1.055
69 HA PHE 821 HA PHE 11 -0.287 8.227 0.047
70 HB2 PHE 821 HB2 PHE 11 -0.218 11.126 0.835
71 HB3 PHE 821 HB3 PHE 11 0.856 9.839 1.338
72 HD1 PHE 821 HD1 PHE 11 2.946 9.651 0.288
73 HD2 PHE 821 HD2 PHE 11 -0.191 11.926 -1.568
74 HE1 PHE 821 HE1 PHE 11 4.567 10.551 -1.381
75 HE2 PHE 821 HE2 PHE 11 1.424 12.912 -3.143
76 HZ PHE 821 HZ PHE 11 3.814 12.298 -3.001
77 H LYS 822 H LYS 12 -1.947 7.081 0.896
78 HA LYS 822 HA LYS 12 -3.806 8.255 2.919
79 HB2 LYS 822 HB2 LYS 12 -4.947 6.822 1.628
80 HB3 LYS 822 HB3 LYS 12 -3.640 5.788 1.286
81 HG2 LYS 822 HG2 LYS 12 -4.699 5.728 4.139
82 HG3 LYS 822 HG3 LYS 12 -5.773 5.225 2.875
83 HD2 LYS 822 HD2 LYS 12 -4.115 3.558 2.053
84 HD3 LYS 822 HD3 LYS 12 -2.968 4.123 3.273
85 HE2 LYS 822 HE2 LYS 12 -3.979 2.036 3.955
86 HE3 LYS 822 HE3 LYS 12 -4.366 3.342 5.074
87 HZ1 LYS 822 HZ1 LYS 12 -6.303 1.877 4.487
88 HZ2 LYS 822 HZ2 LYS 12 -6.241 2.381 2.946
89 HZ3 LYS 822 HZ3 LYS 12 -6.611 3.446 4.153
90 H CYS 823 H CYS 13 -3.652 7.826 5.093
91 HA CYS 823 HA CYS 13 -1.032 7.581 6.202
92 HB2 CYS 823 HB2 CYS 13 -2.850 8.983 7.070
93 HB3 CYS 823 HB3 CYS 13 -3.789 7.540 7.401
94 H ASP 824 H ASP 14 -0.248 6.161 7.660
95 HA ASP 824 HA ASP 14 -0.956 3.267 7.377
96 HB2 ASP 824 HB2 ASP 14 1.514 4.746 8.346
97 HB3 ASP 824 HB3 ASP 14 1.261 3.041 8.658
98 H ASN 825 H ASN 15 -0.671 5.821 9.819
99 HA ASN 825 HA ASN 15 -1.017 4.120 12.123
100 HB2 ASN 825 HB2 ASN 15 -0.150 6.406 12.281
101 HB3 ASN 825 HB3 ASN 15 -1.731 7.057 11.765
102 HD21 ASN 825 HD21 ASN 15 -2.061 8.227 13.684
103 HD22 ASN 825 HD22 ASN 15 -2.329 7.414 15.236
104 H CYS 826 H CYS 16 -3.471 6.272 10.568
105 HA CYS 826 HA CYS 16 -5.572 4.724 11.956
106 HB2 CYS 826 HB2 CYS 16 -6.770 6.700 12.141
107 HB3 CYS 826 HB3 CYS 16 -5.110 7.155 12.516
108 H GLY 827 H GLY 17 -4.384 5.245 8.783
109 HA2 GLY 827 HA2 GLY 17 -4.909 3.925 6.992
110 HA3 GLY 827 HA3 GLY 17 -6.432 3.471 7.725
111 H ILE 828 H ILE 18 -6.182 6.812 7.961
112 HA ILE 828 HA ILE 18 -8.336 7.286 6.284
113 HB ILE 828 HB ILE 18 -7.774 8.700 8.164
114 HG12 ILE 828 HG12 ILE 18 -7.677 10.410 5.661
115 HG13 ILE 828 HG13 ILE 18 -9.118 9.559 6.141
116 HG21 ILE 828 HG21 ILE 18 -5.443 9.783 6.485
117 HG22 ILE 828 HG22 ILE 18 -5.281 8.758 7.908
118 HG23 ILE 828 HG23 ILE 18 -5.989 10.340 8.081
119 HD11 ILE 828 HD11 ILE 18 -9.279 11.832 6.921
120 HD12 ILE 828 HD12 ILE 18 -7.726 11.723 7.761
121 HD13 ILE 828 HD13 ILE 18 -9.116 10.767 8.329
122 H GLU 829 H GLU 19 -8.634 8.083 4.345
123 HA GLU 829 HA GLU 19 -6.860 7.560 2.209
124 HB2 GLU 829 HB2 GLU 19 -8.519 9.370 1.151
125 HB3 GLU 829 HB3 GLU 19 -8.897 7.687 1.228
126 HG2 GLU 829 HG2 GLU 19 -9.763 9.728 3.339
127 HG3 GLU 829 HG3 GLU 19 -10.706 9.385 1.899
128 HA PRO 830 HA PRO 20 -4.057 10.646 0.930
129 HB2 PRO 830 HB2 PRO 20 -6.628 12.031 0.077
130 HB3 PRO 830 HB3 PRO 20 -5.021 12.004 -0.710
131 HG2 PRO 830 HG2 PRO 20 -7.151 10.260 -1.142
132 HG3 PRO 830 HG3 PRO 20 -5.478 9.988 -1.722
133 HD2 PRO 830 HD2 PRO 20 -6.696 8.371 0.146
134 HD3 PRO 830 HD3 PRO 20 -4.938 8.601 -0.007
135 H ILE 831 H ILE 21 -3.168 11.319 2.755
136 HA ILE 831 HA ILE 21 -4.296 12.568 4.922
137 HB ILE 831 HB ILE 21 -1.477 12.694 3.823
138 HG12 ILE 831 HG12 ILE 21 -2.492 11.118 6.223
139 HG13 ILE 831 HG13 ILE 21 -2.661 10.467 4.608
140 HG21 ILE 831 HG21 ILE 21 -1.631 14.626 5.300
141 HG22 ILE 831 HG22 ILE 21 -0.764 13.363 6.165
142 HG23 ILE 831 HG23 ILE 21 -2.467 13.669 6.535
143 HD11 ILE 831 HD11 ILE 21 -0.285 10.613 4.188
144 HD12 ILE 831 HD12 ILE 21 -0.621 9.646 5.637
145 HD13 ILE 831 HD13 ILE 21 -0.009 11.299 5.806
146 H GLN 832 H GLN 22 -4.733 14.500 5.708
147 HA GLN 832 HA GLN 22 -4.595 16.799 3.811
148 HB2 GLN 832 HB2 GLN 22 -6.658 16.263 5.966
149 HB3 GLN 832 HB3 GLN 22 -6.615 17.630 4.850
150 HG2 GLN 832 HG2 GLN 22 -6.923 14.725 3.969
151 HG3 GLN 832 HG3 GLN 22 -8.253 15.821 4.254
152 HE21 GLN 832 HE21 GLN 22 -6.619 14.525 1.753
153 HE22 GLN 832 HE22 GLN 22 -6.908 15.827 0.592
154 H GLY 833 H GLY 23 -3.812 18.690 4.463
155 HA2 GLY 833 HA2 GLY 23 -3.586 20.421 6.205
156 HA3 GLY 833 HA3 GLY 23 -3.123 19.184 7.328
157 H VAL 834 H VAL 24 -1.290 17.807 6.588
158 HA VAL 834 HA VAL 24 0.918 18.923 5.087
159 HB VAL 834 HB VAL 24 0.922 20.007 7.338
160 HG11 VAL 834 HG11 VAL 24 1.489 17.275 8.484
161 HG12 VAL 834 HG12 VAL 24 -0.032 18.194 8.653
162 HG13 VAL 834 HG13 VAL 24 1.465 18.834 9.352
163 HG21 VAL 834 HG21 VAL 24 3.080 19.747 6.197
164 HG22 VAL 834 HG22 VAL 24 3.263 18.105 6.878
165 HG23 VAL 834 HG23 VAL 24 3.292 19.527 7.933
166 H ARG 835 H ARG 25 2.155 17.097 4.334
167 HA ARG 835 HA ARG 25 1.156 14.424 5.285
168 HB2 ARG 835 HB2 ARG 25 1.207 14.702 2.894
169 HB3 ARG 835 HB3 ARG 25 2.931 15.090 2.913
170 HG2 ARG 835 HG2 ARG 25 3.458 12.805 3.680
171 HG3 ARG 835 HG3 ARG 25 1.721 12.452 3.832
172 HD2 ARG 835 HD2 ARG 25 2.476 11.473 1.803
173 HD3 ARG 835 HD3 ARG 25 1.488 12.843 1.368
174 HE ARG 835 HE ARG 25 3.334 13.907 0.440
175 HH11 ARG 835 HH11 ARG 25 4.406 10.918 1.985
176 HH12 ARG 835 HH12 ARG 25 6.009 11.060 1.327
177 HH21 ARG 835 HH21 ARG 25 5.456 13.982 -0.378
178 HH22 ARG 835 HH22 ARG 25 6.567 12.710 0.024
179 H TRP 836 H TRP 26 2.743 12.809 5.884
180 HA TRP 836 HA TRP 26 5.287 13.965 6.935
181 HB2 TRP 836 HB2 TRP 26 3.428 12.165 8.500
182 HB3 TRP 836 HB3 TRP 26 5.098 12.363 8.845
183 HD1 TRP 836 HD1 TRP 26 1.922 14.462 9.015
184 HE1 TRP 836 HE1 TRP 26 2.405 16.519 10.530
185 HE3 TRP 836 HE3 TRP 26 6.982 14.106 9.312
186 HZ2 TRP 836 HZ2 TRP 26 4.632 17.541 12.025
187 HZ3 TRP 836 HZ3 TRP 26 8.271 15.492 10.911
188 HH2 TRP 836 HH2 TRP 26 7.106 17.181 12.305
189 H HIS 837 H HIS 27 6.636 13.201 5.569
190 HA HIS 837 HA HIS 27 6.356 10.513 4.286
191 HB2 HIS 837 HB2 HIS 27 6.885 12.595 2.950
192 HB3 HIS 837 HB3 HIS 27 8.347 12.805 3.884
193 HD2 HIS 837 HD2 HIS 27 10.449 11.274 3.324
194 HE1 HIS 837 HE1 HIS 27 8.738 9.116 0.067
195 HE2 HIS 837 HE2 HIS 27 10.892 9.604 1.335
196 H CYS 838 H CYS 28 7.199 8.830 5.348
197 HA CYS 838 HA CYS 28 9.044 9.081 7.461
198 HB2 CYS 838 HB2 CYS 28 7.989 6.872 5.731
199 HB3 CYS 838 HB3 CYS 28 9.453 6.569 6.672
200 H GLN 839 H GLN 29 11.276 9.336 7.576
201 HA GLN 839 HA GLN 29 12.640 9.871 5.078
202 HB2 GLN 839 HB2 GLN 29 13.658 9.774 7.936
203 HB3 GLN 839 HB3 GLN 29 14.625 10.219 6.542
204 HG2 GLN 839 HG2 GLN 29 12.842 12.018 6.037
205 HG3 GLN 839 HG3 GLN 29 12.277 11.773 7.687
206 HE21 GLN 839 HE21 GLN 29 13.168 14.359 7.112
207 HE22 GLN 839 HE22 GLN 29 14.775 14.565 7.734
208 H ASP 840 H ASP 30 12.779 7.170 7.422
209 HA ASP 840 HA ASP 30 15.062 5.958 5.945
210 HB2 ASP 840 HB2 ASP 30 15.190 6.380 8.377
211 HB3 ASP 840 HB3 ASP 30 13.811 5.333 8.618
212 H CYS 841 H CYS 31 11.639 5.274 6.745
213 HA CYS 841 HA CYS 31 11.660 2.568 5.872
214 HB2 CYS 841 HB2 CYS 31 9.337 4.516 5.778
215 HB3 CYS 841 HB3 CYS 31 9.268 2.783 5.622
216 HA PRO 842 HA PRO 32 12.739 3.249 1.715
217 HB2 PRO 842 HB2 PRO 32 12.240 0.871 0.479
218 HB3 PRO 842 HB3 PRO 32 13.413 1.036 1.818
219 HG2 PRO 842 HG2 PRO 32 10.513 0.150 1.996
220 HG3 PRO 842 HG3 PRO 32 11.959 -0.668 2.667
221 HD2 PRO 842 HD2 PRO 32 10.382 1.015 4.157
222 HD3 PRO 842 HD3 PRO 32 12.139 0.892 4.411
223 HA PRO 843 HA PRO 33 9.454 4.775 -0.898
224 HB2 PRO 843 HB2 PRO 33 11.057 3.542 -3.161
225 HB3 PRO 843 HB3 PRO 33 10.276 5.150 -3.077
226 HG2 PRO 843 HG2 PRO 33 12.921 4.942 -2.627
227 HG3 PRO 843 HG3 PRO 33 11.929 5.931 -1.497
228 HD2 PRO 843 HD2 PRO 33 12.901 3.078 -1.141
229 HD3 PRO 843 HD3 PRO 33 12.929 4.444 0.017
230 H GLU 844 H GLU 34 10.447 1.410 -1.491
231 HA GLU 844 HA GLU 34 8.186 0.469 -2.909
232 HB2 GLU 844 HB2 GLU 34 10.287 -0.741 -2.626
233 HB3 GLU 844 HB3 GLU 34 9.976 -0.948 -0.894
234 HG2 GLU 844 HG2 GLU 34 8.029 -2.355 -1.356
235 HG3 GLU 844 HG3 GLU 34 8.169 -2.041 -3.090
236 H MET 845 H MET 35 8.608 1.019 0.549
237 HA MET 845 HA MET 35 5.887 0.022 1.218
238 HB2 MET 845 HB2 MET 35 8.134 1.104 2.949
239 HB3 MET 845 HB3 MET 35 6.561 0.550 3.548
240 HG2 MET 845 HG2 MET 35 8.526 -1.189 2.008
241 HG3 MET 845 HG3 MET 35 8.401 -1.122 3.764
242 HE1 MET 845 HE1 MET 35 5.101 -2.927 4.612
243 HE2 MET 845 HE2 MET 35 5.388 -1.177 4.570
244 HE3 MET 845 HE3 MET 35 6.638 -2.266 5.219
245 H SER 846 H SER 36 7.783 3.030 1.339
246 HA SER 846 HA SER 36 7.311 5.197 1.792
247 HB2 SER 846 HB2 SER 36 6.818 4.949 -0.597
248 HB3 SER 846 HB3 SER 36 5.105 4.704 -0.209
249 HG SER 846 HG SER 36 5.705 6.931 -0.732
250 H LEU 847 H LEU 37 6.819 4.956 3.992
251 HA LEU 847 HA LEU 37 4.026 4.604 4.812
252 HB2 LEU 847 HB2 LEU 37 6.651 4.771 6.303
253 HB3 LEU 847 HB3 LEU 37 5.167 5.165 7.122
254 HG LEU 847 HG LEU 37 4.353 2.778 6.110
255 HD11 LEU 847 HD11 LEU 37 6.080 1.160 5.995
256 HD12 LEU 847 HD12 LEU 37 7.311 2.334 6.489
257 HD13 LEU 847 HD13 LEU 37 6.554 2.460 4.877
258 HD21 LEU 847 HD21 LEU 37 4.396 3.334 8.433
259 HD22 LEU 847 HD22 LEU 37 6.175 3.226 8.401
260 HD23 LEU 847 HD23 LEU 37 5.173 1.757 8.187
261 H ASP 848 H ASP 38 2.769 6.154 5.964
262 HA ASP 848 HA ASP 38 3.668 8.930 5.841
263 HB2 ASP 848 HB2 ASP 38 1.136 8.102 4.416
264 HB3 ASP 848 HB3 ASP 38 1.727 9.734 4.699
265 H PHE 849 H PHE 39 2.612 10.328 7.206
266 HA PHE 849 HA PHE 39 0.344 9.255 8.811
267 HB2 PHE 849 HB2 PHE 39 2.768 10.636 10.059
268 HB3 PHE 849 HB3 PHE 39 1.349 10.026 10.853
269 HD1 PHE 849 HD1 PHE 39 1.233 7.841 11.620
270 HD2 PHE 849 HD2 PHE 39 4.335 8.840 8.794
271 HE1 PHE 849 HE1 PHE 39 2.157 5.539 11.815
272 HE2 PHE 849 HE2 PHE 39 5.219 6.614 8.999
273 HZ PHE 849 HZ PHE 39 4.198 4.893 10.492
274 H CYS 850 H CYS 40 -1.201 10.693 9.531
275 HA CYS 850 HA CYS 40 -1.414 13.266 8.423
276 HB2 CYS 850 HB2 CYS 40 -2.712 12.131 10.930
277 HB3 CYS 850 HB3 CYS 40 -3.342 13.452 9.950
278 H ASP 851 H ASP 41 -1.909 15.250 9.783
279 HA ASP 851 HA ASP 41 0.325 16.315 11.113
280 HB2 ASP 851 HB2 ASP 41 -1.036 18.165 11.587
281 HB3 ASP 851 HB3 ASP 41 -1.583 17.561 10.039
282 H SER 852 H SER 42 -2.383 14.491 12.464
283 HA SER 852 HA SER 42 -1.467 14.833 15.225
284 HB2 SER 852 HB2 SER 42 -3.883 14.820 14.701
285 HB3 SER 852 HB3 SER 42 -3.729 13.171 14.071
286 HG SER 852 HG SER 42 -3.422 14.077 16.757
287 H CYS 853 H CYS 43 -1.547 12.249 12.726
288 HA CYS 853 HA CYS 43 -0.820 10.147 14.511
289 HB2 CYS 853 HB2 CYS 43 -0.842 10.379 11.504
290 HB3 CYS 853 HB3 CYS 43 -0.667 8.893 12.399
291 H SER 854 H SER 44 1.005 12.460 12.655
292 HA SER 854 HA SER 44 3.533 11.120 12.478
293 HB2 SER 854 HB2 SER 44 4.383 13.335 12.099
294 HB3 SER 854 HB3 SER 44 2.803 13.204 11.334
295 HG SER 854 HG SER 44 3.079 15.167 12.598
296 H ASP 855 H ASP 45 1.799 12.400 15.205
297 HA ASP 855 HA ASP 45 4.130 12.486 16.968
298 HB2 ASP 855 HB2 ASP 45 2.097 14.042 17.161
299 HB3 ASP 855 HB3 ASP 45 1.201 12.636 17.746
300 H CYS 856 H CYS 46 2.254 10.029 15.628
301 HA CYS 856 HA CYS 46 2.181 8.242 17.921
302 HB2 CYS 856 HB2 CYS 46 0.534 8.178 15.928
303 HB3 CYS 856 HB3 CYS 46 1.870 7.504 14.990
304 HG CYS 856 HG CYS 46 0.379 6.334 17.718
305 H LEU 857 H LEU 47 3.574 6.549 18.223
306 HA LEU 857 HA LEU 47 6.081 6.537 16.609
307 HB2 LEU 857 HB2 LEU 47 6.439 7.181 18.928
308 HB3 LEU 857 HB3 LEU 47 5.791 5.636 19.484
309 HG LEU 857 HG LEU 47 7.659 4.422 18.505
310 HD11 LEU 857 HD11 LEU 47 8.047 5.468 16.407
311 HD12 LEU 857 HD12 LEU 47 9.512 5.810 17.343
312 HD13 LEU 857 HD13 LEU 47 8.299 7.071 17.150
313 HD21 LEU 857 HD21 LEU 47 9.533 5.420 19.713
314 HD22 LEU 857 HD22 LEU 47 8.049 5.568 20.665
315 HD23 LEU 857 HD23 LEU 47 8.686 6.986 19.794
316 H HIS 858 H HIS 48 4.827 5.455 15.053
317 HA HIS 858 HA HIS 48 3.896 2.729 15.657
318 HB2 HIS 858 HB2 HIS 48 2.427 4.326 14.420
319 HB3 HIS 858 HB3 HIS 48 3.649 4.412 13.147
320 HD2 HIS 858 HD2 HIS 48 2.882 2.995 11.108
321 HE1 HIS 858 HE1 HIS 48 0.957 -0.230 13.118
322 HE2 HIS 858 HE2 HIS 48 1.580 0.725 10.843
323 H GLU 859 H GLU 49 4.500 0.913 14.413
324 HA GLU 859 HA GLU 49 6.910 1.052 12.750
325 HB2 GLU 859 HB2 GLU 49 6.716 -0.884 15.120
326 HB3 GLU 859 HB3 GLU 49 8.104 -0.588 14.138
327 HG2 GLU 859 HG2 GLU 49 8.283 1.729 15.123
328 HG3 GLU 859 HG3 GLU 49 6.892 1.333 16.127
329 H THR 860 H THR 50 7.337 -0.861 11.521
330 HA THR 860 HA THR 50 5.103 -2.869 11.444
331 HB THR 860 HB THR 50 4.980 -2.815 9.076
332 HG1 THR 860 HG1 THR 50 6.254 -1.394 7.858
333 HG21 THR 860 HG21 THR 50 4.964 0.082 10.016
334 HG22 THR 860 HG22 THR 50 3.633 -1.069 10.198
335 HG23 THR 860 HG23 THR 50 4.166 -0.584 8.572
336 H ASP 861 H ASP 51 6.353 -4.180 9.167
337 HA ASP 861 HA ASP 51 8.350 -5.846 10.462
338 HB2 ASP 861 HB2 ASP 51 7.281 -5.758 7.675
339 HB3 ASP 861 HB3 ASP 51 8.391 -6.972 8.266
340 H ILE 862 H ILE 52 8.303 -3.003 8.486
341 HA ILE 862 HA ILE 52 11.233 -3.123 8.145
342 HB ILE 862 HB ILE 52 9.111 -1.972 6.359
343 HG12 ILE 862 HG12 ILE 52 11.366 -4.036 6.132
344 HG13 ILE 862 HG13 ILE 52 9.647 -4.391 6.208
345 HG21 ILE 862 HG21 ILE 52 10.732 -0.214 6.520
346 HG22 ILE 862 HG22 ILE 52 11.197 -1.130 5.083
347 HG23 ILE 862 HG23 ILE 52 12.082 -1.367 6.613
348 HD11 ILE 862 HD11 ILE 52 10.343 -4.619 3.962
349 HD12 ILE 862 HD12 ILE 52 11.058 -2.996 3.943
350 HD13 ILE 862 HD13 ILE 52 9.285 -3.198 4.100
351 H HIS 863 H HIS 53 8.418 -1.043 8.885
352 HA HIS 863 HA HIS 53 10.075 1.270 9.469
353 HB2 HIS 863 HB2 HIS 53 7.831 1.722 8.843
354 HB3 HIS 863 HB3 HIS 53 7.141 0.620 9.942
355 HD1 HIS 863 HD1 HIS 53 9.767 3.020 11.656
356 HD2 HIS 863 HD2 HIS 53 5.823 2.797 10.496
357 HE1 HIS 863 HE1 HIS 53 8.948 5.364 11.628
358 H LYS 864 H LYS 54 11.176 1.583 11.254
359 HA LYS 864 HA LYS 54 9.939 0.601 13.768
360 HB2 LYS 864 HB2 LYS 54 12.913 0.626 13.044
361 HB3 LYS 864 HB3 LYS 54 12.209 0.155 14.571
362 HG2 LYS 864 HG2 LYS 54 11.685 -1.288 11.865
363 HG3 LYS 864 HG3 LYS 54 12.892 -1.767 13.000
364 HD2 LYS 864 HD2 LYS 54 11.160 -2.289 14.716
365 HD3 LYS 864 HD3 LYS 54 9.929 -1.769 13.640
366 HE2 LYS 864 HE2 LYS 54 9.896 -4.037 13.313
367 HE3 LYS 864 HE3 LYS 54 10.779 -3.456 11.912
368 HZ1 LYS 864 HZ1 LYS 54 12.870 -4.103 13.071
369 HZ2 LYS 864 HZ2 LYS 54 11.880 -5.390 12.937
370 HZ3 LYS 864 HZ3 LYS 54 12.024 -4.631 14.368
371 H GLU 865 H GLU 55 10.781 1.654 15.716
372 HA GLU 865 HA GLU 55 10.580 4.496 15.666
373 HB2 GLU 865 HB2 GLU 55 10.943 4.305 18.055
374 HB3 GLU 865 HB3 GLU 55 9.864 3.036 17.489
375 HG2 GLU 865 HG2 GLU 55 11.947 1.496 17.495
376 HG3 GLU 865 HG3 GLU 55 12.823 2.816 18.244
377 H ASP 866 H ASP 56 13.150 2.798 14.580
378 HA ASP 866 HA ASP 56 15.417 4.065 15.757
379 HB2 ASP 866 HB2 ASP 56 15.315 1.900 14.458
380 HB3 ASP 866 HB3 ASP 56 15.164 2.896 13.019
381 H HIS 867 H HIS 57 13.053 5.060 13.307
382 HA HIS 867 HA HIS 57 14.861 7.198 12.418
383 HB2 HIS 867 HB2 HIS 57 14.167 7.048 10.423
384 HB3 HIS 867 HB3 HIS 57 14.075 5.353 10.846
385 HD1 HIS 867 HD1 HIS 57 12.156 8.345 9.651
386 HD2 HIS 867 HD2 HIS 57 11.502 4.368 10.804
387 HE1 HIS 867 HE1 HIS 57 9.872 7.782 8.797
388 H GLN 868 H GLN 58 13.415 8.699 11.068
389 HA GLN 868 HA GLN 58 11.647 10.269 12.808
390 HB2 GLN 868 HB2 GLN 58 12.904 12.302 12.485
391 HB3 GLN 868 HB3 GLN 58 13.930 11.089 13.223
392 HG2 GLN 868 HG2 GLN 58 13.973 11.816 10.255
393 HG3 GLN 868 HG3 GLN 58 15.060 12.472 11.459
394 HE21 GLN 868 HE21 GLN 58 16.696 11.027 12.423
395 HE22 GLN 868 HE22 GLN 58 17.042 9.499 11.626
396 H LEU 869 H LEU 59 10.333 11.775 11.751
397 HA LEU 869 HA LEU 59 9.696 11.107 8.915
398 HB2 LEU 869 HB2 LEU 59 8.040 12.725 10.889
399 HB3 LEU 869 HB3 LEU 59 7.534 12.024 9.346
400 HG LEU 869 HG LEU 59 6.459 10.878 11.015
401 HD11 LEU 869 HD11 LEU 59 7.328 9.526 9.179
402 HD12 LEU 869 HD12 LEU 59 7.074 8.593 10.654
403 HD13 LEU 869 HD13 LEU 59 8.724 9.067 10.207
404 HD21 LEU 869 HD21 LEU 59 8.993 10.045 12.455
405 HD22 LEU 869 HD22 LEU 59 7.314 9.750 12.907
406 HD23 LEU 869 HD23 LEU 59 7.944 11.401 12.969
407 H GLU 870 H GLU 60 9.149 12.646 7.364
408 HA GLU 870 HA GLU 60 10.249 15.391 7.780
409 HB2 GLU 870 HB2 GLU 60 11.219 13.878 5.995
410 HB3 GLU 870 HB3 GLU 60 9.678 13.899 5.206
411 HG2 GLU 870 HG2 GLU 60 11.267 15.406 4.191
412 HG3 GLU 870 HG3 GLU 60 9.833 16.267 4.765
413 HA PRO 871 HA PRO 61 5.860 16.600 7.333
414 HB2 PRO 871 HB2 PRO 61 6.064 19.246 7.933
415 HB3 PRO 871 HB3 PRO 61 6.143 17.976 9.176
416 HG2 PRO 871 HG2 PRO 61 8.430 19.463 7.876
417 HG3 PRO 871 HG3 PRO 61 8.209 19.051 9.603
418 HD2 PRO 871 HD2 PRO 61 9.771 17.594 7.829
419 HD3 PRO 871 HD3 PRO 61 9.003 16.874 9.264
420 H ILE 872 H ILE 62 4.704 17.434 5.549
421 HA ILE 872 HA ILE 62 6.266 18.889 3.469
422 HB ILE 872 HB ILE 62 4.181 16.849 2.822
423 HG12 ILE 872 HG12 ILE 62 5.911 15.566 4.095
424 HG13 ILE 872 HG13 ILE 62 5.718 15.056 2.450
425 HG21 ILE 872 HG21 ILE 62 6.497 17.997 1.213
426 HG22 ILE 872 HG22 ILE 62 4.823 18.520 1.126
427 HG23 ILE 872 HG23 ILE 62 5.250 16.878 0.613
428 HD11 ILE 872 HD11 ILE 62 7.754 16.084 1.752
429 HD12 ILE 872 HD12 ILE 62 8.092 15.199 3.251
430 HD13 ILE 872 HD13 ILE 62 7.910 16.967 3.280
431 H TYR 873 H TYR 63 5.435 20.744 3.250
432 HA TYR 873 HA TYR 63 2.714 21.337 4.154
433 HB2 TYR 873 HB2 TYR 63 5.062 23.171 3.587
434 HB3 TYR 873 HB3 TYR 63 3.514 23.656 4.256
435 HD1 TYR 873 HD1 TYR 63 6.786 22.254 5.035
436 HD2 TYR 873 HD2 TYR 63 2.760 22.783 6.503
437 HE1 TYR 873 HE1 TYR 63 7.573 21.812 7.353
438 HE2 TYR 873 HE2 TYR 63 3.549 22.353 8.818
439 HH TYR 873 HH TYR 63 5.372 21.959 10.180
440 H ARG 874 H ARG 64 3.637 20.270 1.399
441 HA ARG 874 HA ARG 64 1.859 21.890 -0.297
442 HB2 ARG 874 HB2 ARG 64 4.783 21.347 -0.952
443 HB3 ARG 874 HB3 ARG 64 3.620 21.968 -2.110
444 HG2 ARG 874 HG2 ARG 64 4.540 23.370 0.435
445 HG3 ARG 874 HG3 ARG 64 5.122 23.674 -1.179
446 HD2 ARG 874 HD2 ARG 64 2.227 24.075 -0.375
447 HD3 ARG 874 HD3 ARG 64 3.451 25.354 -0.395
448 HE ARG 874 HE ARG 64 3.529 24.192 -2.943
449 HH11 ARG 874 HH11 ARG 64 1.165 26.012 -1.101
450 HH12 ARG 874 HH12 ARG 64 0.390 26.622 -2.534
451 HH21 ARG 874 HH21 ARG 64 2.478 24.987 -4.719
452 HH22 ARG 874 HH22 ARG 64 1.128 26.065 -4.529
453 H1 ALA 1 H1 ALA 65 2.084 6.197 3.026
454 H2 ALA 1 H2 ALA 65 1.625 5.153 4.220
455 H3 ALA 1 H3 ALA 65 0.490 6.015 3.400
456 HA ALA 1 HA ALA 65 2.232 3.964 2.265
457 HB1 ALA 1 HB1 ALA 65 0.559 2.950 3.700
458 HB2 ALA 1 HB2 ALA 65 0.217 2.606 1.998
459 HB3 ALA 1 HB3 ALA 65 -0.736 3.839 2.862
460 H ARG 2 H ARG 66 2.648 4.286 0.215
461 HA ARG 2 HA ARG 66 1.409 6.223 -1.439
462 HB2 ARG 2 HB2 ARG 66 2.682 5.397 -3.247
463 HB3 ARG 2 HB3 ARG 66 3.669 5.315 -1.814
464 HG2 ARG 2 HG2 ARG 66 2.400 3.019 -3.360
465 HG3 ARG 2 HG3 ARG 66 4.105 3.394 -3.178
466 HD2 ARG 2 HD2 ARG 66 3.907 2.897 -0.722
467 HD3 ARG 2 HD3 ARG 66 2.262 2.312 -0.990
468 HE ARG 2 HE ARG 66 4.785 0.979 -1.625
469 HH11 ARG 2 HH11 ARG 66 1.368 0.941 -2.512
470 HH12 ARG 2 HH12 ARG 66 1.463 -0.728 -3.008
471 HH21 ARG 2 HH21 ARG 66 4.816 -1.038 -2.192
472 HH22 ARG 2 HH22 ARG 66 3.403 -1.849 -2.847
473 H THR 3 H THR 67 -0.357 6.351 -2.472
474 HA THR 3 HA THR 67 -1.665 4.031 -3.806
475 HB THR 3 HB THR 67 -3.870 5.035 -3.299
476 HG1 THR 3 HG1 THR 67 -4.040 6.694 -1.849
477 HG21 THR 3 HG21 THR 67 -2.954 3.250 -1.791
478 HG22 THR 3 HG22 THR 67 -4.087 4.354 -0.995
479 HG23 THR 3 HG23 THR 67 -2.343 4.532 -0.714
480 HH31 ALY 4 H26 ALY 68 2.570 10.943 -10.474
481 HH32 ALY 4 H27 ALY 68 2.675 12.717 -10.566
482 HH33 ALY 4 H28 ALY 68 1.214 11.886 -11.139
483 HZ ALY 4 HZ1 ALY 68 3.254 11.875 -8.232
484 HE3 ALY 4 HE3 ALY 68 2.645 12.666 -6.066
485 HE2 ALY 4 HE2 ALY 68 0.934 12.472 -6.453
486 HD3 ALY 4 HD3 ALY 68 2.928 10.184 -6.093
487 HD2 ALY 4 HD2 ALY 68 1.795 10.761 -4.870
488 HG3 ALY 4 HG3 ALY 68 -0.109 10.200 -6.395
489 HG2 ALY 4 HG2 ALY 68 1.046 9.489 -7.534
490 HB3 ALY 4 HB3 ALY 68 1.781 7.879 -5.776
491 HB2 ALY 4 HB2 ALY 68 0.685 8.636 -4.623
492 HCA ALY 4 HA ALY 68 -1.224 8.065 -6.232
493 H ALY 4 H ALY 68 0.294 6.114 -4.641
494 H GLN 5 H GLN 69 -2.049 6.395 -7.686
495 HA GLN 5 HA GLN 69 -0.386 6.249 -10.109
496 HB2 GLN 5 HB2 GLN 69 -0.514 3.946 -10.473
497 HB3 GLN 5 HB3 GLN 69 0.072 4.112 -8.831
498 HG2 GLN 5 HG2 GLN 69 -2.776 3.391 -9.670
499 HG3 GLN 5 HG3 GLN 69 -1.558 2.273 -9.105
500 HE21 GLN 5 HE21 GLN 69 -4.319 3.594 -8.087
501 HE22 GLN 5 HE22 GLN 69 -3.957 3.775 -6.371
502 H THR 6 H THR 70 -1.629 5.631 -12.061
503 HA THR 6 HA THR 70 -4.152 7.057 -12.142
504 HB THR 6 HB THR 70 -4.165 6.366 -14.532
505 HG1 THR 6 HG1 THR 70 -2.402 5.200 -15.313
506 HG21 THR 6 HG21 THR 70 -1.452 7.432 -13.620
507 HG22 THR 6 HG22 THR 70 -2.928 8.407 -13.822
508 HG23 THR 6 HG23 THR 70 -2.188 7.618 -15.224
509 H ALA 7 H ALA 71 -3.321 3.605 -12.061
510 HA ALA 7 HA ALA 71 -5.930 2.600 -12.664
511 HB1 ALA 7 HB1 ALA 71 -5.037 0.476 -11.767
512 HB2 ALA 7 HB2 ALA 71 -3.640 1.338 -11.089
513 HB3 ALA 7 HB3 ALA 71 -3.872 1.260 -12.853
514 H ARG 8 H ARG 72 -7.578 1.820 -11.356
515 HA ARG 8 HA ARG 72 -8.035 3.121 -8.774
516 HB2 ARG 8 HB2 ARG 72 -9.666 1.081 -10.342
517 HB3 ARG 8 HB3 ARG 72 -10.167 1.834 -8.822
518 HG2 ARG 8 HG2 ARG 72 -10.002 4.088 -9.893
519 HG3 ARG 8 HG3 ARG 72 -9.620 3.317 -11.438
520 HD2 ARG 8 HD2 ARG 72 -12.189 2.926 -9.840
521 HD3 ARG 8 HD3 ARG 72 -12.003 3.966 -11.241
522 HE ARG 8 HE ARG 72 -11.620 2.050 -12.657
523 HH11 ARG 8 HH11 ARG 72 -12.928 1.173 -9.523
524 HH12 ARG 8 HH12 ARG 72 -13.516 -0.362 -10.105
525 HH21 ARG 8 HH21 ARG 72 -12.393 0.096 -13.324
526 HH22 ARG 8 HH22 ARG 72 -13.218 -0.947 -12.199
Start of MODEL 8
1 H1 GLY 811 H1 GLY 1 -2.706 25.666 -5.088
2 H2 GLY 811 H2 GLY 1 -1.204 26.059 -4.572
3 H3 GLY 811 H3 GLY 1 -2.486 27.007 -4.179
4 HA2 GLY 811 HA2 GLY 1 -3.464 25.225 -2.840
5 HA3 GLY 811 HA3 GLY 1 -2.077 24.219 -3.272
6 HA PRO 812 HA PRO 2 -0.939 27.748 -0.056
7 HB2 PRO 812 HB2 PRO 2 -3.015 26.801 1.921
8 HB3 PRO 812 HB3 PRO 2 -2.361 28.454 1.665
9 HG2 PRO 812 HG2 PRO 2 -4.786 27.801 0.686
10 HG3 PRO 812 HG3 PRO 2 -3.635 28.720 -0.345
11 HD2 PRO 812 HD2 PRO 2 -4.198 25.741 -0.365
12 HD3 PRO 812 HD3 PRO 2 -4.112 26.888 -1.735
13 H LEU 813 H LEU 3 0.617 27.414 1.525
14 HA LEU 813 HA LEU 3 1.748 24.872 1.911
15 HB2 LEU 813 HB2 LEU 3 2.920 26.986 1.987
16 HB3 LEU 813 HB3 LEU 3 2.082 27.485 3.447
17 HG LEU 813 HG LEU 3 3.609 24.906 3.610
18 HD11 LEU 813 HD11 LEU 3 5.737 26.081 3.987
19 HD12 LEU 813 HD12 LEU 3 4.976 27.622 3.521
20 HD13 LEU 813 HD13 LEU 3 5.157 26.309 2.331
21 HD21 LEU 813 HD21 LEU 3 3.452 27.335 5.458
22 HD22 LEU 813 HD22 LEU 3 4.209 25.772 5.838
23 HD23 LEU 813 HD23 LEU 3 2.458 25.876 5.617
24 H GLY 814 H GLY 4 -0.667 26.471 3.921
25 HA2 GLY 814 HA2 GLY 4 -0.574 24.427 6.045
26 HA3 GLY 814 HA3 GLY 4 -1.664 25.804 5.933
27 H SER 815 H SER 5 -1.756 24.123 2.972
28 HA SER 815 HA SER 5 -3.962 22.346 3.680
29 HB2 SER 815 HB2 SER 5 -4.818 24.745 3.541
30 HB3 SER 815 HB3 SER 5 -4.467 24.669 1.806
31 HG SER 815 HG SER 5 -6.659 24.081 2.328
32 H VAL 816 H VAL 6 -1.325 21.949 2.469
33 HA VAL 816 HA VAL 6 -1.365 21.569 -0.332
34 HB VAL 816 HB VAL 6 0.156 20.242 1.946
35 HG11 VAL 816 HG11 VAL 6 1.017 20.451 -0.916
36 HG12 VAL 816 HG12 VAL 6 0.421 18.991 -0.084
37 HG13 VAL 816 HG13 VAL 6 1.909 19.746 0.476
38 HG21 VAL 816 HG21 VAL 6 1.910 21.859 1.588
39 HG22 VAL 816 HG22 VAL 6 0.433 22.724 1.929
40 HG23 VAL 816 HG23 VAL 6 1.013 22.629 0.253
41 H GLN 817 H GLN 7 -2.170 19.979 -1.596
42 HA GLN 817 HA GLN 7 -3.437 17.644 -0.323
43 HB2 GLN 817 HB2 GLN 7 -4.166 17.152 -2.540
44 HB3 GLN 817 HB3 GLN 7 -4.493 18.839 -2.177
45 HG2 GLN 817 HG2 GLN 7 -3.524 19.370 -4.113
46 HG3 GLN 817 HG3 GLN 7 -1.982 18.996 -3.402
47 HE21 GLN 817 HE21 GLN 7 -3.822 18.319 -6.119
48 HE22 GLN 817 HE22 GLN 7 -3.128 16.751 -6.502
49 H HIS 818 H HIS 8 -2.565 15.637 -0.153
50 HA HIS 818 HA HIS 8 -0.157 14.944 -1.778
51 HB2 HIS 818 HB2 HIS 8 -0.841 13.445 0.733
52 HB3 HIS 818 HB3 HIS 8 0.721 13.715 -0.030
53 HD2 HIS 818 HD2 HIS 8 1.398 16.562 0.024
54 HE1 HIS 818 HE1 HIS 8 -0.734 17.200 3.638
55 HE2 HIS 818 HE2 HIS 8 0.955 18.222 2.000
56 H VAL 819 H VAL 9 -2.154 14.724 -3.367
57 HA VAL 819 HA VAL 9 -3.665 12.300 -3.376
58 HB VAL 819 HB VAL 9 -2.732 14.072 -5.588
59 HG11 VAL 819 HG11 VAL 9 -3.027 11.864 -6.601
60 HG12 VAL 819 HG12 VAL 9 -4.360 12.936 -7.035
61 HG13 VAL 819 HG13 VAL 9 -4.608 11.688 -5.795
62 HG21 VAL 819 HG21 VAL 9 -5.140 14.691 -5.616
63 HG22 VAL 819 HG22 VAL 9 -4.470 14.956 -4.001
64 HG23 VAL 819 HG23 VAL 9 -5.465 13.521 -4.314
65 H GLY 820 H GLY 10 -3.145 10.282 -3.562
66 HA2 GLY 820 HA2 GLY 10 -1.847 8.426 -4.248
67 HA3 GLY 820 HA3 GLY 10 -0.451 9.476 -4.497
68 H PHE 821 H PHE 11 -1.637 10.421 -1.510
69 HA PHE 821 HA PHE 11 -0.229 8.253 0.007
70 HB2 PHE 821 HB2 PHE 11 0.088 11.216 0.502
71 HB3 PHE 821 HB3 PHE 11 0.972 9.882 1.240
72 HD1 PHE 821 HD1 PHE 11 0.734 12.174 -1.551
73 HD2 PHE 821 HD2 PHE 11 2.750 8.715 -0.017
74 HE1 PHE 821 HE1 PHE 11 2.591 12.590 -3.146
75 HE2 PHE 821 HE2 PHE 11 4.581 9.050 -1.694
76 HZ PHE 821 HZ PHE 11 4.532 11.068 -3.171
77 H LYS 822 H LYS 12 -2.151 7.390 0.650
78 HA LYS 822 HA LYS 12 -4.076 8.865 2.382
79 HB2 LYS 822 HB2 LYS 12 -5.087 7.328 0.976
80 HB3 LYS 822 HB3 LYS 12 -3.835 6.179 1.094
81 HG2 LYS 822 HG2 LYS 12 -5.186 6.412 3.743
82 HG3 LYS 822 HG3 LYS 12 -6.339 6.242 2.464
83 HD2 LYS 822 HD2 LYS 12 -4.961 4.216 1.639
84 HD3 LYS 822 HD3 LYS 12 -4.096 4.364 3.184
85 HE2 LYS 822 HE2 LYS 12 -5.819 2.716 3.433
86 HE3 LYS 822 HE3 LYS 12 -6.236 4.131 4.406
87 HZ1 LYS 822 HZ1 LYS 12 -7.425 3.434 1.756
88 HZ2 LYS 822 HZ2 LYS 12 -7.802 4.803 2.572
89 HZ3 LYS 822 HZ3 LYS 12 -8.181 3.344 3.193
90 H CYS 823 H CYS 13 -4.072 8.638 4.626
91 HA CYS 823 HA CYS 13 -1.579 8.101 5.947
92 HB2 CYS 823 HB2 CYS 13 -2.891 9.892 6.703
93 HB3 CYS 823 HB3 CYS 13 -4.362 8.937 6.676
94 H ASP 824 H ASP 14 -1.262 6.730 7.710
95 HA ASP 824 HA ASP 14 -2.500 4.012 7.570
96 HB2 ASP 824 HB2 ASP 14 0.181 5.001 8.595
97 HB3 ASP 824 HB3 ASP 14 -0.437 3.378 8.856
98 H ASN 825 H ASN 15 -1.854 6.704 9.836
99 HA ASN 825 HA ASN 15 -2.605 5.238 12.236
100 HB2 ASN 825 HB2 ASN 15 -1.348 7.342 12.379
101 HB3 ASN 825 HB3 ASN 15 -2.703 8.216 11.623
102 HD21 ASN 825 HD21 ASN 15 -4.473 8.783 12.916
103 HD22 ASN 825 HD22 ASN 15 -4.389 8.607 14.669
104 H CYS 826 H CYS 16 -4.447 7.606 10.240
105 HA CYS 826 HA CYS 16 -6.951 6.863 11.518
106 HB2 CYS 826 HB2 CYS 16 -6.541 8.880 9.304
107 HB3 CYS 826 HB3 CYS 16 -7.785 8.863 10.537
108 H GLY 827 H GLY 17 -5.351 6.438 8.428
109 HA2 GLY 827 HA2 GLY 17 -5.829 5.020 6.749
110 HA3 GLY 827 HA3 GLY 17 -7.401 4.626 7.402
111 H ILE 828 H ILE 18 -6.899 8.022 7.419
112 HA ILE 828 HA ILE 18 -8.933 8.544 5.553
113 HB ILE 828 HB ILE 18 -8.479 10.089 7.297
114 HG12 ILE 828 HG12 ILE 18 -7.609 11.451 4.700
115 HG13 ILE 828 HG13 ILE 18 -9.245 10.979 4.982
116 HG21 ILE 828 HG21 ILE 18 -5.752 10.691 6.077
117 HG22 ILE 828 HG22 ILE 18 -6.012 9.754 7.551
118 HG23 ILE 828 HG23 ILE 18 -6.494 11.430 7.511
119 HD11 ILE 828 HD11 ILE 18 -9.062 13.315 5.461
120 HD12 ILE 828 HD12 ILE 18 -7.705 13.068 6.562
121 HD13 ILE 828 HD13 ILE 18 -9.328 12.476 7.005
122 H GLU 829 H GLU 19 -8.902 9.155 3.509
123 HA GLU 829 HA GLU 19 -6.935 8.098 1.718
124 HB2 GLU 829 HB2 GLU 19 -8.879 10.059 0.748
125 HB3 GLU 829 HB3 GLU 19 -8.418 8.515 0.068
126 HG2 GLU 829 HG2 GLU 19 -10.430 8.925 2.268
127 HG3 GLU 829 HG3 GLU 19 -10.715 8.364 0.622
128 HA PRO 830 HA PRO 20 -3.983 10.875 0.348
129 HB2 PRO 830 HB2 PRO 20 -6.009 12.521 -1.187
130 HB3 PRO 830 HB3 PRO 20 -4.248 12.309 -1.472
131 HG2 PRO 830 HG2 PRO 20 -6.023 10.729 -2.749
132 HG3 PRO 830 HG3 PRO 20 -4.512 10.047 -2.072
133 HD2 PRO 830 HD2 PRO 20 -7.315 9.946 -1.027
134 HD3 PRO 830 HD3 PRO 20 -6.004 8.750 -0.790
135 H ILE 831 H ILE 21 -3.139 11.853 1.984
136 HA ILE 831 HA ILE 21 -4.450 13.383 3.911
137 HB ILE 831 HB ILE 21 -1.505 13.132 3.214
138 HG12 ILE 831 HG12 ILE 21 -2.861 11.826 5.588
139 HG13 ILE 831 HG13 ILE 21 -2.987 11.069 4.023
140 HG21 ILE 831 HG21 ILE 21 -1.736 15.146 4.654
141 HG22 ILE 831 HG22 ILE 21 -0.982 13.845 5.535
142 HG23 ILE 831 HG23 ILE 21 -2.703 14.206 5.805
143 HD11 ILE 831 HD11 ILE 21 -0.554 10.967 3.784
144 HD12 ILE 831 HD12 ILE 21 -1.100 10.141 5.250
145 HD13 ILE 831 HD13 ILE 21 -0.351 11.730 5.369
146 H GLN 832 H GLN 22 -4.342 15.525 4.588
147 HA GLN 832 HA GLN 22 -3.627 17.492 2.455
148 HB2 GLN 832 HB2 GLN 22 -6.014 17.630 4.342
149 HB3 GLN 832 HB3 GLN 22 -5.627 18.771 3.061
150 HG2 GLN 832 HG2 GLN 22 -6.369 15.836 2.603
151 HG3 GLN 832 HG3 GLN 22 -7.489 17.161 2.560
152 HE21 GLN 832 HE21 GLN 22 -6.051 15.162 0.492
153 HE22 GLN 832 HE22 GLN 22 -5.947 16.252 -0.892
154 H GLY 833 H GLY 23 -2.524 19.229 3.018
155 HA2 GLY 833 HA2 GLY 23 -2.250 21.152 4.621
156 HA3 GLY 833 HA3 GLY 23 -2.112 19.981 5.885
157 H VAL 834 H VAL 24 -0.390 18.341 5.611
158 HA VAL 834 HA VAL 24 2.038 19.061 4.200
159 HB VAL 834 HB VAL 24 2.005 20.281 6.361
160 HG11 VAL 834 HG11 VAL 24 2.159 19.204 8.475
161 HG12 VAL 834 HG12 VAL 24 2.137 17.600 7.705
162 HG13 VAL 834 HG13 VAL 24 0.694 18.652 7.634
163 HG21 VAL 834 HG21 VAL 24 4.225 19.551 7.222
164 HG22 VAL 834 HG22 VAL 24 4.210 19.686 5.468
165 HG23 VAL 834 HG23 VAL 24 4.114 18.081 6.244
166 H ARG 835 H ARG 25 3.122 17.098 3.607
167 HA ARG 835 HA ARG 25 1.695 14.592 4.295
168 HB2 ARG 835 HB2 ARG 25 2.804 15.122 1.973
169 HB3 ARG 835 HB3 ARG 25 4.312 14.765 2.811
170 HG2 ARG 835 HG2 ARG 25 3.437 12.499 3.382
171 HG3 ARG 835 HG3 ARG 25 2.015 12.828 2.388
172 HD2 ARG 835 HD2 ARG 25 3.285 12.775 0.390
173 HD3 ARG 835 HD3 ARG 25 4.787 13.182 1.226
174 HE ARG 835 HE ARG 25 3.609 10.603 2.020
175 HH11 ARG 835 HH11 ARG 25 6.028 11.958 -0.178
176 HH12 ARG 835 HH12 ARG 25 6.948 10.484 -0.107
177 HH21 ARG 835 HH21 ARG 25 4.699 8.940 2.019
178 HH22 ARG 835 HH22 ARG 25 6.292 8.826 1.288
179 H TRP 836 H TRP 26 2.894 12.770 5.347
180 HA TRP 836 HA TRP 26 5.403 13.571 6.745
181 HB2 TRP 836 HB2 TRP 26 3.066 12.333 8.196
182 HB3 TRP 836 HB3 TRP 26 4.694 12.213 8.731
183 HD1 TRP 836 HD1 TRP 26 1.979 14.780 8.518
184 HE1 TRP 836 HE1 TRP 26 2.677 16.835 9.963
185 HE3 TRP 836 HE3 TRP 26 6.887 13.684 9.146
186 HZ2 TRP 836 HZ2 TRP 26 4.964 17.613 11.511
187 HZ3 TRP 836 HZ3 TRP 26 8.297 14.976 10.718
188 HH2 TRP 836 HH2 TRP 26 7.346 16.905 11.947
189 H HIS 837 H HIS 27 6.640 12.475 5.459
190 HA HIS 837 HA HIS 27 6.078 9.658 4.613
191 HB2 HIS 837 HB2 HIS 27 6.862 11.245 2.911
192 HB3 HIS 837 HB3 HIS 27 8.177 11.766 3.928
193 HD2 HIS 837 HD2 HIS 27 10.459 10.682 3.535
194 HE1 HIS 837 HE1 HIS 27 9.267 7.175 1.423
195 HE2 HIS 837 HE2 HIS 27 11.260 8.537 2.225
196 H CYS 838 H CYS 28 6.959 7.914 5.929
197 HA CYS 838 HA CYS 28 8.904 8.606 7.960
198 HB2 CYS 838 HB2 CYS 28 7.252 6.870 8.160
199 HB3 CYS 838 HB3 CYS 28 8.147 5.939 6.930
200 H GLN 839 H GLN 29 10.982 8.593 8.015
201 HA GLN 839 HA GLN 29 12.470 8.860 5.563
202 HB2 GLN 839 HB2 GLN 29 13.419 8.682 8.450
203 HB3 GLN 839 HB3 GLN 29 14.440 9.128 7.103
204 HG2 GLN 839 HG2 GLN 29 11.958 10.760 7.778
205 HG3 GLN 839 HG3 GLN 29 13.489 10.983 8.605
206 HE21 GLN 839 HE21 GLN 29 13.919 13.105 7.802
207 HE22 GLN 839 HE22 GLN 29 14.043 13.431 6.072
208 H ASP 840 H ASP 30 12.308 6.340 8.123
209 HA ASP 840 HA ASP 30 14.396 4.764 6.718
210 HB2 ASP 840 HB2 ASP 30 14.482 5.454 9.177
211 HB3 ASP 840 HB3 ASP 30 13.062 4.531 9.374
212 H CYS 841 H CYS 31 10.882 4.539 7.432
213 HA CYS 841 HA CYS 31 10.601 1.749 6.980
214 HB2 CYS 841 HB2 CYS 31 8.665 4.039 6.579
215 HB3 CYS 841 HB3 CYS 31 8.271 2.408 6.150
216 HA PRO 842 HA PRO 32 11.704 1.434 2.786
217 HB2 PRO 842 HB2 PRO 32 10.666 -0.956 1.978
218 HB3 PRO 842 HB3 PRO 32 11.887 -0.823 3.284
219 HG2 PRO 842 HG2 PRO 32 8.870 -1.040 3.570
220 HG3 PRO 842 HG3 PRO 32 10.136 -1.993 4.410
221 HD2 PRO 842 HD2 PRO 32 8.958 0.228 5.531
222 HD3 PRO 842 HD3 PRO 32 10.654 -0.216 5.839
223 HA PRO 843 HA PRO 33 8.671 3.148 -0.051
224 HB2 PRO 843 HB2 PRO 33 10.022 1.334 -2.073
225 HB3 PRO 843 HB3 PRO 33 9.524 3.042 -2.252
226 HG2 PRO 843 HG2 PRO 33 12.104 2.457 -1.728
227 HG3 PRO 843 HG3 PRO 33 11.308 3.769 -0.794
228 HD2 PRO 843 HD2 PRO 33 11.784 0.885 0.021
229 HD3 PRO 843 HD3 PRO 33 12.054 2.395 0.951
230 H GLU 844 H GLU 34 9.117 -0.363 -0.064
231 HA GLU 844 HA GLU 34 6.788 -1.280 -1.365
232 HB2 GLU 844 HB2 GLU 34 8.608 -2.715 -0.703
233 HB3 GLU 844 HB3 GLU 34 8.277 -2.426 0.997
234 HG2 GLU 844 HG2 GLU 34 7.483 -4.565 0.154
235 HG3 GLU 844 HG3 GLU 34 6.233 -3.586 0.874
236 H MET 845 H MET 35 7.222 -0.375 2.024
237 HA MET 845 HA MET 35 4.346 -0.644 2.657
238 HB2 MET 845 HB2 MET 35 6.700 0.337 4.292
239 HB3 MET 845 HB3 MET 35 5.029 0.288 4.870
240 HG2 MET 845 HG2 MET 35 6.522 -2.162 3.878
241 HG3 MET 845 HG3 MET 35 6.464 -1.654 5.562
242 HE1 MET 845 HE1 MET 35 4.436 -1.854 7.159
243 HE2 MET 845 HE2 MET 35 2.804 -2.358 6.670
244 HE3 MET 845 HE3 MET 35 3.424 -0.777 6.169
245 H SER 846 H SER 36 6.696 2.030 2.406
246 HA SER 846 HA SER 36 6.508 4.293 2.602
247 HB2 SER 846 HB2 SER 36 6.181 3.822 0.229
248 HB3 SER 846 HB3 SER 36 4.426 3.827 0.461
249 HG SER 846 HG SER 36 5.398 5.888 -0.250
250 H LEU 847 H LEU 37 5.760 4.159 4.781
251 HA LEU 847 HA LEU 37 2.901 4.443 5.326
252 HB2 LEU 847 HB2 LEU 37 5.369 4.293 7.041
253 HB3 LEU 847 HB3 LEU 37 3.837 4.763 7.733
254 HG LEU 847 HG LEU 37 3.432 2.342 6.134
255 HD11 LEU 847 HD11 LEU 37 5.773 2.208 7.984
256 HD12 LEU 847 HD12 LEU 37 5.741 1.889 6.267
257 HD13 LEU 847 HD13 LEU 37 4.891 0.785 7.373
258 HD21 LEU 847 HD21 LEU 37 2.167 3.153 8.243
259 HD22 LEU 847 HD22 LEU 37 3.324 2.080 9.071
260 HD23 LEU 847 HD23 LEU 37 2.315 1.458 7.796
261 H ASP 848 H ASP 38 1.820 6.192 6.252
262 HA ASP 848 HA ASP 38 3.101 8.836 5.986
263 HB2 ASP 848 HB2 ASP 38 0.560 8.050 4.546
264 HB3 ASP 848 HB3 ASP 38 1.224 9.673 4.684
265 H PHE 849 H PHE 39 2.161 10.506 7.130
266 HA PHE 849 HA PHE 39 -0.354 9.966 8.633
267 HB2 PHE 849 HB2 PHE 39 2.058 11.200 10.051
268 HB3 PHE 849 HB3 PHE 39 0.520 10.816 10.687
269 HD1 PHE 849 HD1 PHE 39 -0.287 8.435 10.760
270 HD2 PHE 849 HD2 PHE 39 3.791 9.522 9.935
271 HE1 PHE 849 HE1 PHE 39 0.445 6.103 11.316
272 HE2 PHE 849 HE2 PHE 39 4.523 7.239 10.495
273 HZ PHE 849 HZ PHE 39 2.854 5.510 11.197
274 H CYS 850 H CYS 40 -1.684 11.672 9.143
275 HA CYS 850 HA CYS 40 -1.533 14.091 7.660
276 HB2 CYS 850 HB2 CYS 40 -3.154 13.497 10.151
277 HB3 CYS 850 HB3 CYS 40 -3.585 14.616 8.864
278 H ASP 851 H ASP 41 -1.863 16.260 8.719
279 HA ASP 851 HA ASP 41 0.352 17.165 10.210
280 HB2 ASP 851 HB2 ASP 41 -0.748 19.231 10.296
281 HB3 ASP 851 HB3 ASP 41 -1.179 18.528 8.750
282 H SER 852 H SER 42 -2.737 15.907 11.372
283 HA SER 852 HA SER 42 -2.265 16.703 14.139
284 HB2 SER 852 HB2 SER 42 -4.523 16.808 13.147
285 HB3 SER 852 HB3 SER 42 -4.483 15.061 12.876
286 HG SER 852 HG SER 42 -4.553 16.473 15.355
287 H CYS 853 H CYS 43 -2.369 13.596 12.308
288 HA CYS 853 HA CYS 43 -2.011 12.077 14.727
289 HB2 CYS 853 HB2 CYS 43 -2.670 10.264 13.456
290 HB3 CYS 853 HB3 CYS 43 -3.627 11.638 12.878
291 H SER 854 H SER 44 0.072 13.196 12.216
292 HA SER 854 HA SER 44 2.320 11.464 12.453
293 HB2 SER 854 HB2 SER 44 3.645 13.446 11.826
294 HB3 SER 854 HB3 SER 44 2.193 13.319 10.836
295 HG SER 854 HG SER 44 1.356 15.036 11.781
296 H ASP 855 H ASP 45 0.848 13.395 14.879
297 HA ASP 855 HA ASP 45 3.230 13.786 16.522
298 HB2 ASP 855 HB2 ASP 45 1.220 15.343 16.458
299 HB3 ASP 855 HB3 ASP 45 0.302 14.076 17.280
300 H CYS 856 H CYS 46 1.300 11.099 15.786
301 HA CYS 856 HA CYS 46 1.014 10.115 18.504
302 HB2 CYS 856 HB2 CYS 46 -0.638 9.911 16.546
303 HB3 CYS 856 HB3 CYS 46 0.391 8.622 15.921
304 HG CYS 856 HG CYS 46 0.310 7.147 18.130
305 H LEU 857 H LEU 47 3.443 9.731 16.184
306 HA LEU 857 HA LEU 47 5.274 8.401 15.990
307 HB2 LEU 857 HB2 LEU 47 5.630 9.663 18.095
308 HB3 LEU 857 HB3 LEU 47 5.032 8.307 19.023
309 HG LEU 857 HG LEU 47 6.872 6.927 18.563
310 HD11 LEU 857 HD11 LEU 47 7.585 8.816 16.292
311 HD12 LEU 857 HD12 LEU 47 7.150 7.080 16.200
312 HD13 LEU 857 HD13 LEU 47 8.692 7.591 16.924
313 HD21 LEU 857 HD21 LEU 47 8.811 8.252 19.225
314 HD22 LEU 857 HD22 LEU 47 7.374 8.818 20.087
315 HD23 LEU 857 HD23 LEU 47 7.999 9.749 18.713
316 H HIS 858 H HIS 48 3.670 6.984 14.949
317 HA HIS 858 HA HIS 48 2.708 4.688 16.437
318 HB2 HIS 858 HB2 HIS 48 1.210 5.977 14.952
319 HB3 HIS 858 HB3 HIS 48 2.256 5.624 13.578
320 HD2 HIS 858 HD2 HIS 48 1.677 3.512 12.188
321 HE1 HIS 858 HE1 HIS 48 -0.988 1.586 14.908
322 HE2 HIS 858 HE2 HIS 48 -0.024 1.525 12.553
323 H GLU 859 H GLU 49 2.744 2.521 15.718
324 HA GLU 859 HA GLU 49 5.124 1.748 14.180
325 HB2 GLU 859 HB2 GLU 49 4.663 0.470 16.882
326 HB3 GLU 859 HB3 GLU 49 6.057 0.405 15.871
327 HG2 GLU 859 HG2 GLU 49 6.430 2.893 16.323
328 HG3 GLU 859 HG3 GLU 49 5.077 2.816 17.432
329 H THR 860 H THR 50 5.040 -0.214 13.216
330 HA THR 860 HA THR 50 2.648 -1.982 13.610
331 HB THR 860 HB THR 50 2.420 -2.350 11.257
332 HG1 THR 860 HG1 THR 50 3.696 -1.294 9.755
333 HG21 THR 860 HG21 THR 50 1.114 -0.450 11.930
334 HG22 THR 860 HG22 THR 50 1.848 -0.088 10.355
335 HG23 THR 860 HG23 THR 50 2.510 0.636 11.840
336 H ASP 861 H ASP 51 3.854 -3.684 11.385
337 HA ASP 861 HA ASP 51 5.778 -5.211 12.940
338 HB2 ASP 861 HB2 ASP 51 4.789 -5.463 10.130
339 HB3 ASP 861 HB3 ASP 51 5.867 -6.603 10.911
340 H ILE 862 H ILE 52 5.796 -2.722 10.451
341 HA ILE 862 HA ILE 52 8.744 -2.904 10.261
342 HB ILE 862 HB ILE 52 6.795 -2.073 8.126
343 HG12 ILE 862 HG12 ILE 52 8.763 -4.396 8.531
344 HG13 ILE 862 HG13 ILE 52 7.002 -4.531 8.581
345 HG21 ILE 862 HG21 ILE 52 8.906 -1.825 6.774
346 HG22 ILE 862 HG22 ILE 52 9.836 -1.991 8.285
347 HG23 ILE 862 HG23 ILE 52 8.748 -0.610 8.034
348 HD11 ILE 862 HD11 ILE 52 8.676 -3.922 6.164
349 HD12 ILE 862 HD12 ILE 52 6.883 -3.850 6.233
350 HD13 ILE 862 HD13 ILE 52 7.740 -5.383 6.520
351 H HIS 863 H HIS 53 5.936 -0.782 10.580
352 HA HIS 863 HA HIS 53 7.478 1.676 10.735
353 HB2 HIS 863 HB2 HIS 53 5.247 1.546 9.872
354 HB3 HIS 863 HB3 HIS 53 4.517 1.098 11.289
355 HD1 HIS 863 HD1 HIS 53 3.933 3.783 9.562
356 HD2 HIS 863 HD2 HIS 53 6.701 3.514 12.605
357 HE1 HIS 863 HE1 HIS 53 5.805 5.345 8.923
358 H LYS 864 H LYS 54 8.562 2.411 12.467
359 HA LYS 864 HA LYS 54 7.832 1.465 15.177
360 HB2 LYS 864 HB2 LYS 54 10.652 1.373 14.047
361 HB3 LYS 864 HB3 LYS 54 10.167 1.086 15.706
362 HG2 LYS 864 HG2 LYS 54 9.347 -0.640 13.294
363 HG3 LYS 864 HG3 LYS 54 10.639 -0.999 14.408
364 HD2 LYS 864 HD2 LYS 54 9.082 -1.389 16.237
365 HD3 LYS 864 HD3 LYS 54 7.760 -0.796 15.309
366 HE2 LYS 864 HE2 LYS 54 7.551 -3.105 15.168
367 HE3 LYS 864 HE3 LYS 54 8.141 -2.600 13.595
368 HZ1 LYS 864 HZ1 LYS 54 9.340 -4.563 14.425
369 HZ2 LYS 864 HZ2 LYS 54 9.829 -3.774 15.767
370 HZ3 LYS 864 HZ3 LYS 54 10.400 -3.329 14.294
371 H GLU 865 H GLU 55 8.944 2.722 16.918
372 HA GLU 865 HA GLU 55 9.243 5.532 16.264
373 HB2 GLU 865 HB2 GLU 55 9.311 5.883 18.591
374 HB3 GLU 865 HB3 GLU 55 8.063 4.692 18.248
375 HG2 GLU 865 HG2 GLU 55 9.747 2.902 18.933
376 HG3 GLU 865 HG3 GLU 55 10.860 4.185 19.379
377 H ASP 866 H ASP 56 11.392 3.159 15.687
378 HA ASP 866 HA ASP 56 13.759 3.986 17.057
379 HB2 ASP 866 HB2 ASP 56 13.163 1.713 16.097
380 HB3 ASP 866 HB3 ASP 56 13.534 2.411 14.528
381 H HIS 867 H HIS 57 12.067 5.196 14.331
382 HA HIS 867 HA HIS 57 14.351 6.686 13.216
383 HB2 HIS 867 HB2 HIS 57 12.948 6.164 11.070
384 HB3 HIS 867 HB3 HIS 57 14.029 4.982 11.709
385 HD1 HIS 867 HD1 HIS 57 12.945 2.939 10.789
386 HD2 HIS 867 HD2 HIS 57 10.313 5.753 12.397
387 HE1 HIS 867 HE1 HIS 57 10.739 2.847 9.520
388 H GLN 868 H GLN 58 13.077 8.081 11.391
389 HA GLN 868 HA GLN 58 11.476 10.059 12.885
390 HB2 GLN 868 HB2 GLN 58 13.776 10.674 12.939
391 HB3 GLN 868 HB3 GLN 58 14.016 10.259 11.238
392 HG2 GLN 868 HG2 GLN 58 12.700 12.103 10.493
393 HG3 GLN 868 HG3 GLN 58 12.216 12.514 12.155
394 HE21 GLN 868 HE21 GLN 58 14.182 13.044 13.663
395 HE22 GLN 868 HE22 GLN 58 15.474 13.941 12.886
396 H LEU 869 H LEU 59 10.151 11.449 11.633
397 HA LEU 869 HA LEU 59 9.381 10.483 8.911
398 HB2 LEU 869 HB2 LEU 59 7.834 12.262 10.838
399 HB3 LEU 869 HB3 LEU 59 7.261 11.551 9.333
400 HG LEU 869 HG LEU 59 6.206 10.581 11.189
401 HD11 LEU 869 HD11 LEU 59 6.598 9.199 9.221
402 HD12 LEU 869 HD12 LEU 59 6.522 8.223 10.702
403 HD13 LEU 869 HD13 LEU 59 8.102 8.570 9.997
404 HD21 LEU 869 HD21 LEU 59 7.081 9.272 12.916
405 HD22 LEU 869 HD22 LEU 59 7.985 10.790 12.936
406 HD23 LEU 869 HD23 LEU 59 8.716 9.309 12.257
407 H GLU 870 H GLU 60 9.049 11.969 7.254
408 HA GLU 870 HA GLU 60 10.489 14.568 7.510
409 HB2 GLU 870 HB2 GLU 60 11.257 12.803 5.862
410 HB3 GLU 870 HB3 GLU 60 9.724 12.967 5.055
411 HG2 GLU 870 HG2 GLU 60 11.134 14.259 3.800
412 HG3 GLU 870 HG3 GLU 60 10.298 15.466 4.774
413 HA PRO 871 HA PRO 61 6.286 16.247 6.873
414 HB2 PRO 871 HB2 PRO 61 6.770 18.868 7.453
415 HB3 PRO 871 HB3 PRO 61 6.582 17.617 8.707
416 HG2 PRO 871 HG2 PRO 61 9.143 18.787 7.600
417 HG3 PRO 871 HG3 PRO 61 8.736 18.419 9.301
418 HD2 PRO 871 HD2 PRO 61 10.230 16.768 7.640
419 HD3 PRO 871 HD3 PRO 61 9.286 16.163 9.027
420 H ILE 872 H ILE 62 5.429 17.043 4.912
421 HA ILE 872 HA ILE 62 7.338 18.373 3.026
422 HB ILE 872 HB ILE 62 5.129 16.614 2.089
423 HG12 ILE 872 HG12 ILE 62 6.548 15.118 3.525
424 HG13 ILE 872 HG13 ILE 62 6.439 14.670 1.844
425 HG21 ILE 872 HG21 ILE 62 6.117 18.160 0.487
426 HG22 ILE 872 HG22 ILE 62 6.521 16.498 0.044
427 HG23 ILE 872 HG23 ILE 62 7.737 17.541 0.811
428 HD11 ILE 872 HD11 ILE 62 8.793 16.220 2.996
429 HD12 ILE 872 HD12 ILE 62 8.682 15.472 1.391
430 HD13 ILE 872 HD13 ILE 62 8.733 14.451 2.837
431 H TYR 873 H TYR 63 6.740 20.301 2.555
432 HA TYR 873 HA TYR 63 4.045 21.259 3.205
433 HB2 TYR 873 HB2 TYR 63 6.747 22.606 2.919
434 HB3 TYR 873 HB3 TYR 63 5.265 23.497 3.122
435 HD1 TYR 873 HD1 TYR 63 7.862 21.679 4.869
436 HD2 TYR 873 HD2 TYR 63 3.762 23.014 5.156
437 HE1 TYR 873 HE1 TYR 63 7.932 21.378 7.328
438 HE2 TYR 873 HE2 TYR 63 3.843 22.715 7.621
439 HH TYR 873 HH TYR 63 6.809 21.671 9.340
440 H ARG 874 H ARG 64 4.920 19.857 0.685
441 HA ARG 874 HA ARG 64 3.456 21.499 -1.223
442 HB2 ARG 874 HB2 ARG 64 5.225 21.476 -2.953
443 HB3 ARG 874 HB3 ARG 64 5.645 22.466 -1.558
444 HG2 ARG 874 HG2 ARG 64 7.161 20.742 -0.706
445 HG3 ARG 874 HG3 ARG 64 6.631 19.605 -1.960
446 HD2 ARG 874 HD2 ARG 64 7.493 21.122 -3.704
447 HD3 ARG 874 HD3 ARG 64 8.015 22.266 -2.448
448 HE ARG 874 HE ARG 64 9.176 19.711 -1.912
449 HH11 ARG 874 HH11 ARG 64 9.537 22.299 -4.247
450 HH12 ARG 874 HH12 ARG 64 11.207 21.910 -4.560
451 HH21 ARG 874 HH21 ARG 64 11.301 19.265 -2.359
452 HH22 ARG 874 HH22 ARG 64 12.177 20.238 -3.507
453 H1 ALA 1 H1 ALA 65 -0.197 6.076 3.439
454 H2 ALA 1 H2 ALA 65 1.428 5.976 3.236
455 H3 ALA 1 H3 ALA 65 0.680 5.086 4.416
456 HA ALA 1 HA ALA 65 1.287 3.714 2.582
457 HB1 ALA 1 HB1 ALA 65 -0.931 2.713 2.123
458 HB2 ALA 1 HB2 ALA 65 -1.710 4.117 2.897
459 HB3 ALA 1 HB3 ALA 65 -0.663 3.029 3.841
460 H ARG 2 H ARG 66 1.948 3.849 0.615
461 HA ARG 2 HA ARG 66 1.277 5.749 -1.336
462 HB2 ARG 2 HB2 ARG 66 2.494 4.412 -2.897
463 HB3 ARG 2 HB3 ARG 66 3.310 4.368 -1.362
464 HG2 ARG 2 HG2 ARG 66 1.780 2.146 -2.756
465 HG3 ARG 2 HG3 ARG 66 3.477 2.210 -2.328
466 HD2 ARG 2 HD2 ARG 66 2.785 2.148 0.113
467 HD3 ARG 2 HD3 ARG 66 1.130 1.811 -0.404
468 HE ARG 2 HE ARG 66 3.429 0.009 -0.363
469 HH11 ARG 2 HH11 ARG 66 3.262 -2.047 -0.850
470 HH12 ARG 2 HH12 ARG 66 1.846 -2.694 -1.638
471 HH21 ARG 2 HH21 ARG 66 0.269 0.389 -1.875
472 HH22 ARG 2 HH22 ARG 66 0.168 -1.315 -2.229
473 H THR 3 H THR 67 -0.401 6.136 -2.472
474 HA THR 3 HA THR 67 -1.952 3.977 -3.837
475 HB THR 3 HB THR 67 -3.978 5.385 -3.643
476 HG1 THR 3 HG1 THR 67 -3.974 7.145 -2.283
477 HG21 THR 3 HG21 THR 67 -3.573 3.609 -1.931
478 HG22 THR 3 HG22 THR 67 -4.534 4.969 -1.333
479 HG23 THR 3 HG23 THR 67 -2.820 4.836 -0.886
480 HH31 ALY 4 H26 ALY 68 6.538 9.855 -9.953
481 HH32 ALY 4 H27 ALY 68 5.160 10.854 -10.477
482 HH33 ALY 4 H28 ALY 68 4.921 9.130 -10.088
483 HZ ALY 4 HZ1 ALY 68 3.236 10.548 -8.841
484 HE3 ALY 4 HE3 ALY 68 4.174 11.558 -6.229
485 HE2 ALY 4 HE2 ALY 68 2.535 11.650 -6.880
486 HD3 ALY 4 HD3 ALY 68 3.874 9.093 -5.878
487 HD2 ALY 4 HD2 ALY 68 2.757 10.096 -4.947
488 HG3 ALY 4 HG3 ALY 68 0.968 9.701 -6.604
489 HG2 ALY 4 HG2 ALY 68 2.070 8.671 -7.546
490 HB3 ALY 4 HB3 ALY 68 2.247 7.091 -5.671
491 HB2 ALY 4 HB2 ALY 68 1.312 8.168 -4.626
492 HCA ALY 4 HA ALY 68 -0.628 7.913 -6.251
493 H ALY 4 H ALY 68 0.386 5.937 -4.412
494 H GLN 5 H GLN 69 0.998 4.780 -6.750
495 HA GLN 5 HA GLN 69 1.591 5.097 -9.518
496 HB2 GLN 5 HB2 GLN 69 2.604 3.361 -8.146
497 HB3 GLN 5 HB3 GLN 69 1.037 2.613 -7.854
498 HG2 GLN 5 HG2 GLN 69 2.324 1.346 -9.508
499 HG3 GLN 5 HG3 GLN 69 0.839 1.961 -10.200
500 HE21 GLN 5 HE21 GLN 69 1.188 2.593 -12.325
501 HE22 GLN 5 HE22 GLN 69 2.684 3.341 -12.893
502 H THR 6 H THR 70 0.329 5.243 -11.258
503 HA THR 6 HA THR 70 -2.542 4.706 -11.176
504 HB THR 6 HB THR 70 -1.492 6.636 -12.400
505 HG1 THR 6 HG1 THR 70 -3.549 6.185 -12.966
506 HG21 THR 6 HG21 THR 70 -0.618 6.321 -14.636
507 HG22 THR 6 HG22 THR 70 -0.789 4.558 -14.528
508 HG23 THR 6 HG23 THR 70 0.394 5.413 -13.510
509 H ALA 7 H ALA 71 -3.641 3.399 -12.852
510 HA ALA 7 HA ALA 71 -4.190 1.386 -13.688
511 HB1 ALA 7 HB1 ALA 71 -2.900 2.456 -15.488
512 HB2 ALA 7 HB2 ALA 71 -2.816 0.689 -15.570
513 HB3 ALA 7 HB3 ALA 71 -1.435 1.611 -14.950
514 H ARG 8 H ARG 72 -3.262 1.070 -11.051
515 HA ARG 8 HA ARG 72 -2.521 -1.791 -11.028
516 HB2 ARG 8 HB2 ARG 72 -0.400 -0.481 -10.860
517 HB3 ARG 8 HB3 ARG 72 -1.025 0.300 -9.399
518 HG2 ARG 8 HG2 ARG 72 -1.133 -1.896 -8.263
519 HG3 ARG 8 HG3 ARG 72 -0.618 -2.707 -9.756
520 HD2 ARG 8 HD2 ARG 72 1.540 -1.433 -9.664
521 HD3 ARG 8 HD3 ARG 72 1.002 -0.664 -8.174
522 HE ARG 8 HE ARG 72 1.388 -2.604 -6.970
523 HH11 ARG 8 HH11 ARG 72 1.827 -3.416 -10.366
524 HH12 ARG 8 HH12 ARG 72 2.559 -4.947 -9.981
525 HH21 ARG 8 HH21 ARG 72 2.808 -5.588 -7.898
526 HH22 ARG 8 HH22 ARG 72 2.313 -4.566 -6.578
Start of MODEL 9
1 H1 GLY 811 H1 GLY 1 -6.152 24.200 -3.922
2 H2 GLY 811 H2 GLY 1 -7.074 22.872 -4.161
3 H3 GLY 811 H3 GLY 1 -5.566 22.715 -3.543
4 HA2 GLY 811 HA2 GLY 1 -7.834 24.049 -2.200
5 HA3 GLY 811 HA3 GLY 1 -7.223 22.433 -1.795
6 HA PRO 812 HA PRO 2 -5.135 26.109 0.458
7 HB2 PRO 812 HB2 PRO 2 -6.565 24.993 2.872
8 HB3 PRO 812 HB3 PRO 2 -6.207 26.697 2.451
9 HG2 PRO 812 HG2 PRO 2 -8.689 25.705 2.066
10 HG3 PRO 812 HG3 PRO 2 -7.933 26.738 0.806
11 HD2 PRO 812 HD2 PRO 2 -8.092 23.708 0.900
12 HD3 PRO 812 HD3 PRO 2 -8.470 24.821 -0.448
13 H LEU 813 H LEU 3 -3.242 26.020 1.613
14 HA LEU 813 HA LEU 3 -1.725 23.654 1.698
15 HB2 LEU 813 HB2 LEU 3 -1.259 26.214 3.285
16 HB3 LEU 813 HB3 LEU 3 -0.046 25.014 2.864
17 HG LEU 813 HG LEU 3 -1.508 26.839 0.900
18 HD11 LEU 813 HD11 LEU 3 1.379 26.813 1.866
19 HD12 LEU 813 HD12 LEU 3 0.134 27.988 2.338
20 HD13 LEU 813 HD13 LEU 3 0.679 27.918 0.654
21 HD21 LEU 813 HD21 LEU 3 0.122 26.027 -0.770
22 HD22 LEU 813 HD22 LEU 3 -0.911 24.712 -0.197
23 HD23 LEU 813 HD23 LEU 3 0.754 24.858 0.406
24 H GLY 814 H GLY 4 -3.855 24.869 4.180
25 HA2 GLY 814 HA2 GLY 4 -2.867 22.912 6.210
26 HA3 GLY 814 HA3 GLY 4 -3.965 24.260 6.491
27 H SER 815 H SER 5 -4.793 22.478 3.668
28 HA SER 815 HA SER 5 -6.725 20.725 5.007
29 HB2 SER 815 HB2 SER 5 -7.745 23.010 4.786
30 HB3 SER 815 HB3 SER 5 -7.619 22.845 3.032
31 HG SER 815 HG SER 5 -9.025 21.065 3.142
32 H VAL 816 H VAL 6 -4.314 20.333 3.368
33 HA VAL 816 HA VAL 6 -4.828 19.675 0.670
34 HB VAL 816 HB VAL 6 -2.710 18.783 2.676
35 HG11 VAL 816 HG11 VAL 6 -2.619 17.402 0.728
36 HG12 VAL 816 HG12 VAL 6 -1.217 18.481 0.843
37 HG13 VAL 816 HG13 VAL 6 -2.513 18.859 -0.319
38 HG21 VAL 816 HG21 VAL 6 -2.898 21.305 2.395
39 HG22 VAL 816 HG22 VAL 6 -2.532 21.078 0.676
40 HG23 VAL 816 HG23 VAL 6 -1.366 20.611 1.952
41 H GLN 817 H GLN 7 -5.609 17.921 -0.299
42 HA GLN 817 HA GLN 7 -6.303 15.552 1.370
43 HB2 GLN 817 HB2 GLN 7 -7.807 15.015 -0.479
44 HB3 GLN 817 HB3 GLN 7 -8.177 16.529 0.337
45 HG2 GLN 817 HG2 GLN 7 -8.173 17.689 -1.538
46 HG3 GLN 817 HG3 GLN 7 -6.530 17.214 -1.894
47 HE21 GLN 817 HE21 GLN 7 -6.215 15.057 -2.928
48 HE22 GLN 817 HE22 GLN 7 -7.420 14.565 -4.138
49 H HIS 818 H HIS 8 -4.971 13.843 1.326
50 HA HIS 818 HA HIS 8 -3.426 13.301 -1.187
51 HB2 HIS 818 HB2 HIS 8 -2.689 13.241 1.673
52 HB3 HIS 818 HB3 HIS 8 -2.183 11.849 0.734
53 HD2 HIS 818 HD2 HIS 8 -1.371 15.510 1.151
54 HE1 HIS 818 HE1 HIS 8 0.720 14.308 -2.355
55 HE2 HIS 818 HE2 HIS 8 0.318 16.224 -0.759
56 H VAL 819 H VAL 9 -5.515 12.560 -1.935
57 HA VAL 819 HA VAL 9 -6.544 9.964 -1.295
58 HB VAL 819 HB VAL 9 -6.583 11.534 -3.854
59 HG11 VAL 819 HG11 VAL 9 -8.132 9.017 -3.100
60 HG12 VAL 819 HG12 VAL 9 -6.918 9.156 -4.403
61 HG13 VAL 819 HG13 VAL 9 -8.440 10.045 -4.516
62 HG21 VAL 819 HG21 VAL 9 -8.949 11.938 -3.153
63 HG22 VAL 819 HG22 VAL 9 -7.810 12.577 -1.966
64 HG23 VAL 819 HG23 VAL 9 -8.646 11.040 -1.651
65 H GLY 820 H GLY 10 -5.737 8.006 -1.537
66 HA2 GLY 820 HA2 GLY 10 -4.345 6.322 -2.418
67 HA3 GLY 820 HA3 GLY 10 -3.349 7.534 -3.216
68 H PHE 821 H PHE 11 -3.739 8.623 -0.013
69 HA PHE 821 HA PHE 11 -1.546 6.881 1.051
70 HB2 PHE 821 HB2 PHE 11 -1.639 9.869 1.376
71 HB3 PHE 821 HB3 PHE 11 -0.376 8.756 1.867
72 HD1 PHE 821 HD1 PHE 11 -2.065 10.210 -1.131
73 HD2 PHE 821 HD2 PHE 11 1.553 8.620 0.561
74 HE1 PHE 821 HE1 PHE 11 -0.815 11.036 -3.084
75 HE2 PHE 821 HE2 PHE 11 2.799 9.343 -1.468
76 HZ PHE 821 HZ PHE 11 1.625 10.690 -3.213
77 H LYS 822 H LYS 12 -2.931 5.764 2.310
78 HA LYS 822 HA LYS 12 -4.582 7.055 4.454
79 HB2 LYS 822 HB2 LYS 12 -5.727 5.334 3.610
80 HB3 LYS 822 HB3 LYS 12 -4.372 4.408 3.153
81 HG2 LYS 822 HG2 LYS 12 -4.868 4.623 6.155
82 HG3 LYS 822 HG3 LYS 12 -6.079 3.837 5.199
83 HD2 LYS 822 HD2 LYS 12 -4.348 2.286 4.244
84 HD3 LYS 822 HD3 LYS 12 -3.123 3.155 5.182
85 HE2 LYS 822 HE2 LYS 12 -3.637 1.103 6.297
86 HE3 LYS 822 HE3 LYS 12 -4.161 2.478 7.277
87 HZ1 LYS 822 HZ1 LYS 12 -5.829 0.638 7.176
88 HZ2 LYS 822 HZ2 LYS 12 -5.994 0.835 5.569
89 HZ3 LYS 822 HZ3 LYS 12 -6.468 2.022 6.603
90 H CYS 823 H CYS 13 -3.928 6.938 6.630
91 HA CYS 823 HA CYS 13 -1.097 7.047 7.117
92 HB2 CYS 823 HB2 CYS 13 -2.412 8.637 8.173
93 HB3 CYS 823 HB3 CYS 13 -3.653 7.480 8.594
94 H ASP 824 H ASP 14 0.021 5.988 8.763
95 HA ASP 824 HA ASP 14 -0.462 3.054 9.055
96 HB2 ASP 824 HB2 ASP 14 2.009 4.802 9.333
97 HB3 ASP 824 HB3 ASP 14 1.946 3.137 9.870
98 H ASN 825 H ASN 15 0.046 6.009 11.025
99 HA ASN 825 HA ASN 15 0.208 4.629 13.581
100 HB2 ASN 825 HB2 ASN 15 1.000 6.926 13.313
101 HB3 ASN 825 HB3 ASN 15 -0.640 7.465 12.910
102 HD21 ASN 825 HD21 ASN 15 -2.145 7.731 14.598
103 HD22 ASN 825 HD22 ASN 15 -1.610 7.706 16.283
104 H CYS 826 H CYS 16 -2.512 6.481 12.127
105 HA CYS 826 HA CYS 16 -4.391 5.405 14.048
106 HB2 CYS 826 HB2 CYS 16 -4.979 7.207 11.694
107 HB3 CYS 826 HB3 CYS 16 -5.849 7.107 13.211
108 H GLY 827 H GLY 17 -3.647 4.981 10.653
109 HA2 GLY 827 HA2 GLY 17 -4.275 3.347 9.239
110 HA3 GLY 827 HA3 GLY 17 -5.511 2.757 10.331
111 H ILE 828 H ILE 18 -5.653 6.169 10.065
112 HA ILE 828 HA ILE 18 -8.214 6.172 8.901
113 HB ILE 828 HB ILE 18 -7.546 7.885 10.419
114 HG12 ILE 828 HG12 ILE 18 -7.862 9.203 7.673
115 HG13 ILE 828 HG13 ILE 18 -9.176 8.428 8.502
116 HG21 ILE 828 HG21 ILE 18 -5.540 8.913 8.362
117 HG22 ILE 828 HG22 ILE 18 -5.114 8.051 9.848
118 HG23 ILE 828 HG23 ILE 18 -5.921 9.594 9.957
119 HD11 ILE 828 HD11 ILE 18 -8.895 10.002 10.431
120 HD12 ILE 828 HD12 ILE 18 -9.364 10.774 8.897
121 HD13 ILE 828 HD13 ILE 18 -7.694 10.896 9.464
122 H GLU 829 H GLU 19 -8.910 6.640 6.957
123 HA GLU 829 HA GLU 19 -7.467 5.843 4.639
124 HB2 GLU 829 HB2 GLU 19 -9.814 7.537 4.275
125 HB3 GLU 829 HB3 GLU 19 -9.419 5.983 3.557
126 HG2 GLU 829 HG2 GLU 19 -11.328 5.460 4.691
127 HG3 GLU 829 HG3 GLU 19 -10.060 4.867 5.748
128 HA PRO 830 HA PRO 20 -5.486 8.928 2.433
129 HB2 PRO 830 HB2 PRO 20 -8.100 10.164 1.520
130 HB3 PRO 830 HB3 PRO 20 -6.505 10.204 0.711
131 HG2 PRO 830 HG2 PRO 20 -8.247 8.294 0.060
132 HG3 PRO 830 HG3 PRO 20 -6.530 7.851 0.347
133 HD2 PRO 830 HD2 PRO 20 -8.914 7.515 2.123
134 HD3 PRO 830 HD3 PRO 20 -7.451 6.485 2.000
135 H ILE 831 H ILE 21 -4.342 10.176 3.641
136 HA ILE 831 HA ILE 21 -5.209 11.641 5.842
137 HB ILE 831 HB ILE 21 -2.656 11.790 4.215
138 HG12 ILE 831 HG12 ILE 21 -3.080 10.555 6.972
139 HG13 ILE 831 HG13 ILE 21 -3.419 9.641 5.526
140 HG21 ILE 831 HG21 ILE 21 -2.754 13.922 5.403
141 HG22 ILE 831 HG22 ILE 21 -1.601 12.887 6.233
142 HG23 ILE 831 HG23 ILE 21 -3.220 13.108 6.909
143 HD11 ILE 831 HD11 ILE 21 -1.178 9.147 6.280
144 HD12 ILE 831 HD12 ILE 21 -0.715 10.847 6.179
145 HD13 ILE 831 HD13 ILE 21 -1.141 9.956 4.702
146 H GLN 832 H GLN 22 -5.675 13.664 6.374
147 HA GLN 832 HA GLN 22 -6.023 15.628 4.151
148 HB2 GLN 832 HB2 GLN 22 -7.626 15.381 6.713
149 HB3 GLN 832 HB3 GLN 22 -7.897 16.515 5.387
150 HG2 GLN 832 HG2 GLN 22 -8.148 13.485 5.168
151 HG3 GLN 832 HG3 GLN 22 -9.474 14.599 5.391
152 HE21 GLN 832 HE21 GLN 22 -8.226 12.763 3.043
153 HE22 GLN 832 HE22 GLN 22 -8.670 13.775 1.664
154 H GLY 833 H GLY 23 -5.324 17.658 4.371
155 HA2 GLY 833 HA2 GLY 23 -4.947 19.649 5.764
156 HA3 GLY 833 HA3 GLY 23 -4.212 18.644 6.960
157 H VAL 834 H VAL 24 -2.401 17.283 6.158
158 HA VAL 834 HA VAL 24 -0.538 18.292 4.191
159 HB VAL 834 HB VAL 24 -0.291 19.699 6.255
160 HG11 VAL 834 HG11 VAL 24 0.683 17.214 7.646
161 HG12 VAL 834 HG12 VAL 24 -0.889 18.010 7.912
162 HG13 VAL 834 HG13 VAL 24 0.611 18.872 8.291
163 HG21 VAL 834 HG21 VAL 24 1.681 19.426 4.839
164 HG22 VAL 834 HG22 VAL 24 2.106 17.909 5.687
165 HG23 VAL 834 HG23 VAL 24 2.156 19.461 6.532
166 H ARG 835 H ARG 25 0.753 16.468 3.533
167 HA ARG 835 HA ARG 25 0.185 13.906 5.012
168 HB2 ARG 835 HB2 ARG 25 -0.160 13.827 2.615
169 HB3 ARG 835 HB3 ARG 25 1.509 14.323 2.306
170 HG2 ARG 835 HG2 ARG 25 2.335 12.226 3.311
171 HG3 ARG 835 HG3 ARG 25 0.675 11.784 3.772
172 HD2 ARG 835 HD2 ARG 25 1.192 10.562 1.813
173 HD3 ARG 835 HD3 ARG 25 0.061 11.796 1.336
174 HE ARG 835 HE ARG 25 1.678 12.805 0.007
175 HH11 ARG 835 HH11 ARG 25 3.172 10.163 1.801
176 HH12 ARG 835 HH12 ARG 25 4.648 10.263 0.882
177 HH21 ARG 835 HH21 ARG 25 3.647 12.848 -1.136
178 HH22 ARG 835 HH22 ARG 25 4.884 11.701 -0.733
179 H TRP 836 H TRP 26 1.996 12.558 5.581
180 HA TRP 836 HA TRP 26 4.557 14.051 5.980
181 HB2 TRP 836 HB2 TRP 26 3.155 12.386 8.092
182 HB3 TRP 836 HB3 TRP 26 4.839 12.739 8.093
183 HD1 TRP 836 HD1 TRP 26 1.557 14.611 8.565
184 HE1 TRP 836 HE1 TRP 26 2.096 16.899 9.681
185 HE3 TRP 836 HE3 TRP 26 6.602 14.607 8.037
186 HZ2 TRP 836 HZ2 TRP 26 4.435 18.318 10.533
187 HZ3 TRP 836 HZ3 TRP 26 8.016 16.314 9.153
188 HH2 TRP 836 HH2 TRP 26 6.947 18.147 10.445
189 H HIS 837 H HIS 27 5.747 13.169 4.548
190 HA HIS 837 HA HIS 27 5.503 10.299 3.752
191 HB2 HIS 837 HB2 HIS 27 5.645 12.151 2.036
192 HB3 HIS 837 HB3 HIS 27 7.213 12.590 2.683
193 HD2 HIS 837 HD2 HIS 27 9.306 11.285 1.798
194 HE1 HIS 837 HE1 HIS 27 7.290 8.230 -0.396
195 HE2 HIS 837 HE2 HIS 27 9.561 9.247 0.144
196 H CYS 838 H CYS 28 6.723 8.844 4.759
197 HA CYS 838 HA CYS 28 8.843 9.569 6.518
198 HB2 CYS 838 HB2 CYS 28 7.705 7.054 5.349
199 HB3 CYS 838 HB3 CYS 28 9.341 7.015 6.019
200 H GLN 839 H GLN 29 11.036 9.963 6.179
201 HA GLN 839 HA GLN 29 11.886 10.179 3.421
202 HB2 GLN 839 HB2 GLN 29 13.406 10.589 6.009
203 HB3 GLN 839 HB3 GLN 29 14.056 10.887 4.405
204 HG2 GLN 839 HG2 GLN 29 11.942 12.403 4.051
205 HG3 GLN 839 HG3 GLN 29 11.875 12.447 5.811
206 HE21 GLN 839 HE21 GLN 29 12.706 14.443 3.484
207 HE22 GLN 839 HE22 GLN 29 14.191 15.122 4.150
208 H ASP 840 H ASP 30 12.673 7.856 6.024
209 HA ASP 840 HA ASP 30 14.738 6.597 4.284
210 HB2 ASP 840 HB2 ASP 30 15.268 7.461 6.569
211 HB3 ASP 840 HB3 ASP 30 14.152 6.284 7.223
212 H CYS 841 H CYS 31 11.610 5.841 5.839
213 HA CYS 841 HA CYS 31 11.745 3.022 5.429
214 HB2 CYS 841 HB2 CYS 31 9.270 4.764 5.468
215 HB3 CYS 841 HB3 CYS 31 9.339 3.030 5.589
216 HA PRO 842 HA PRO 32 12.033 3.003 1.103
217 HB2 PRO 842 HB2 PRO 32 11.434 0.451 0.357
218 HB3 PRO 842 HB3 PRO 32 12.817 0.856 1.419
219 HG2 PRO 842 HG2 PRO 32 10.044 -0.059 2.254
220 HG3 PRO 842 HG3 PRO 32 11.624 -0.719 2.777
221 HD2 PRO 842 HD2 PRO 32 10.253 1.143 4.246
222 HD3 PRO 842 HD3 PRO 32 12.033 1.099 4.186
223 HA PRO 843 HA PRO 33 8.263 4.054 -1.051
224 HB2 PRO 843 HB2 PRO 33 9.533 2.586 -3.386
225 HB3 PRO 843 HB3 PRO 33 8.687 4.163 -3.375
226 HG2 PRO 843 HG2 PRO 33 11.382 4.107 -3.367
227 HG3 PRO 843 HG3 PRO 33 10.535 5.206 -2.221
228 HD2 PRO 843 HD2 PRO 33 11.714 2.469 -1.678
229 HD3 PRO 843 HD3 PRO 33 11.858 3.984 -0.734
230 H GLU 844 H GLU 34 9.354 0.692 -1.374
231 HA GLU 844 HA GLU 34 6.955 -0.541 -2.229
232 HB2 GLU 844 HB2 GLU 34 9.138 -1.634 -2.124
233 HB3 GLU 844 HB3 GLU 34 9.121 -1.571 -0.351
234 HG2 GLU 844 HG2 GLU 34 7.283 -3.133 -0.237
235 HG3 GLU 844 HG3 GLU 34 6.985 -2.995 -1.973
236 H MET 845 H MET 35 7.912 0.503 1.004
237 HA MET 845 HA MET 35 5.392 -0.462 2.262
238 HB2 MET 845 HB2 MET 35 7.834 0.936 3.400
239 HB3 MET 845 HB3 MET 35 6.405 0.469 4.329
240 HG2 MET 845 HG2 MET 35 8.130 -1.489 2.779
241 HG3 MET 845 HG3 MET 35 8.323 -1.123 4.494
242 HE1 MET 845 HE1 MET 35 5.446 -1.037 5.785
243 HE2 MET 845 HE2 MET 35 6.826 -1.979 6.415
244 HE3 MET 845 HE3 MET 35 5.236 -2.751 6.188
245 H SER 846 H SER 36 7.103 2.595 1.609
246 HA SER 846 HA SER 36 6.576 4.781 1.857
247 HB2 SER 846 HB2 SER 36 5.714 4.177 -0.361
248 HB3 SER 846 HB3 SER 36 4.106 3.938 0.345
249 HG SER 846 HG SER 36 4.499 6.093 -0.570
250 H LEU 847 H LEU 37 6.444 4.825 4.125
251 HA LEU 847 HA LEU 37 3.865 4.430 5.444
252 HB2 LEU 847 HB2 LEU 37 6.666 5.007 6.417
253 HB3 LEU 847 HB3 LEU 37 5.307 5.427 7.421
254 HG LEU 847 HG LEU 37 4.544 2.870 6.916
255 HD11 LEU 847 HD11 LEU 37 6.383 1.368 6.737
256 HD12 LEU 847 HD12 LEU 37 7.556 2.688 6.828
257 HD13 LEU 847 HD13 LEU 37 6.535 2.508 5.377
258 HD21 LEU 847 HD21 LEU 37 4.914 3.780 9.094
259 HD22 LEU 847 HD22 LEU 37 6.668 3.785 8.777
260 HD23 LEU 847 HD23 LEU 37 5.784 2.236 8.940
261 H ASP 848 H ASP 38 2.661 6.010 6.582
262 HA ASP 848 HA ASP 38 3.219 8.810 5.931
263 HB2 ASP 848 HB2 ASP 38 0.590 7.542 5.148
264 HB3 ASP 848 HB3 ASP 38 1.013 9.253 5.096
265 H PHE 849 H PHE 39 2.298 10.310 7.227
266 HA PHE 849 HA PHE 39 0.487 9.411 9.402
267 HB2 PHE 849 HB2 PHE 39 2.963 11.127 9.981
268 HB3 PHE 849 HB3 PHE 39 1.772 10.550 11.075
269 HD1 PHE 849 HD1 PHE 39 4.462 9.271 8.696
270 HD2 PHE 849 HD2 PHE 39 1.953 8.485 12.129
271 HE1 PHE 849 HE1 PHE 39 5.583 7.168 9.060
272 HE2 PHE 849 HE2 PHE 39 3.135 6.322 12.484
273 HZ PHE 849 HZ PHE 39 4.994 5.643 10.932
274 H CYS 850 H CYS 40 -1.014 10.853 10.150
275 HA CYS 850 HA CYS 40 -1.730 13.081 8.567
276 HB2 CYS 850 HB2 CYS 40 -2.592 12.433 11.408
277 HB3 CYS 850 HB3 CYS 40 -3.530 13.284 10.186
278 H ASP 851 H ASP 41 -2.382 15.205 9.670
279 HA ASP 851 HA ASP 41 -0.159 16.756 10.452
280 HB2 ASP 851 HB2 ASP 41 -1.676 18.498 10.759
281 HB3 ASP 851 HB3 ASP 41 -2.345 17.544 9.451
282 H SER 852 H SER 42 -2.465 14.969 12.468
283 HA SER 852 HA SER 42 -1.428 16.072 14.959
284 HB2 SER 852 HB2 SER 42 -3.835 15.685 14.644
285 HB3 SER 852 HB3 SER 42 -3.528 13.952 14.431
286 HG SER 852 HG SER 42 -3.205 15.533 16.783
287 H CYS 853 H CYS 43 -1.372 12.869 13.303
288 HA CYS 853 HA CYS 43 -0.126 11.632 15.578
289 HB2 CYS 853 HB2 CYS 43 -0.692 9.643 14.590
290 HB3 CYS 853 HB3 CYS 43 -1.998 10.755 14.166
291 H SER 854 H SER 44 1.025 13.000 12.641
292 HA SER 854 HA SER 44 3.579 11.749 12.371
293 HB2 SER 854 HB2 SER 44 4.261 13.883 11.337
294 HB3 SER 854 HB3 SER 44 2.679 13.367 10.758
295 HG SER 854 HG SER 44 1.757 14.994 11.753
296 H ASP 855 H ASP 45 2.342 13.449 15.055
297 HA ASP 855 HA ASP 45 4.857 14.468 16.111
298 HB2 ASP 855 HB2 ASP 45 2.569 15.383 16.671
299 HB3 ASP 855 HB3 ASP 45 2.233 13.874 17.533
300 H CYS 856 H CYS 46 3.584 11.342 15.668
301 HA CYS 856 HA CYS 46 4.622 10.201 18.160
302 HB2 CYS 856 HB2 CYS 46 2.403 9.514 17.401
303 HB3 CYS 856 HB3 CYS 46 3.105 8.893 15.886
304 HG CYS 856 HG CYS 46 2.517 6.871 17.416
305 H LEU 857 H LEU 47 6.350 8.934 18.282
306 HA LEU 857 HA LEU 47 8.121 8.708 15.913
307 HB2 LEU 857 HB2 LEU 47 9.000 9.779 17.893
308 HB3 LEU 857 HB3 LEU 47 8.727 8.334 18.869
309 HG LEU 857 HG LEU 47 10.441 7.105 17.722
310 HD11 LEU 857 HD11 LEU 47 10.092 7.630 15.416
311 HD12 LEU 857 HD12 LEU 47 11.725 8.223 15.795
312 HD13 LEU 857 HD13 LEU 47 10.390 9.370 15.687
313 HD21 LEU 857 HD21 LEU 47 11.394 9.987 18.052
314 HD22 LEU 857 HD22 LEU 47 12.410 8.533 18.091
315 HD23 LEU 857 HD23 LEU 47 11.212 8.800 19.365
316 H HIS 858 H HIS 48 6.666 7.205 14.975
317 HA HIS 858 HA HIS 48 6.146 4.664 16.328
318 HB2 HIS 858 HB2 HIS 48 4.341 5.969 15.184
319 HB3 HIS 858 HB3 HIS 48 5.183 5.739 13.652
320 HD2 HIS 858 HD2 HIS 48 4.027 3.885 12.255
321 HE1 HIS 858 HE1 HIS 48 2.784 1.260 15.384
322 HE2 HIS 858 HE2 HIS 48 2.796 1.633 12.866
323 H GLU 859 H GLU 49 6.369 2.592 15.218
324 HA GLU 859 HA GLU 49 8.434 2.387 13.146
325 HB2 GLU 859 HB2 GLU 49 8.732 0.829 15.767
326 HB3 GLU 859 HB3 GLU 49 9.907 1.010 14.514
327 HG2 GLU 859 HG2 GLU 49 10.142 3.451 15.153
328 HG3 GLU 859 HG3 GLU 49 9.002 3.134 16.458
329 H THR 860 H THR 50 8.659 0.294 12.198
330 HA THR 860 HA THR 50 6.549 -1.711 12.903
331 HB THR 860 HB THR 50 5.958 -2.076 10.628
332 HG1 THR 860 HG1 THR 50 6.897 -0.864 8.962
333 HG21 THR 860 HG21 THR 50 4.965 0.033 9.915
334 HG22 THR 860 HG22 THR 50 5.995 0.937 11.048
335 HG23 THR 860 HG23 THR 50 4.765 -0.176 11.670
336 H ASP 861 H ASP 51 7.410 -3.365 10.633
337 HA ASP 861 HA ASP 51 9.709 -4.751 11.754
338 HB2 ASP 861 HB2 ASP 51 8.111 -5.163 9.266
339 HB3 ASP 861 HB3 ASP 51 9.381 -6.239 9.829
340 H ILE 862 H ILE 52 9.114 -2.295 9.391
341 HA ILE 862 HA ILE 52 11.924 -2.412 8.480
342 HB ILE 862 HB ILE 52 9.433 -1.586 7.013
343 HG12 ILE 862 HG12 ILE 52 11.697 -3.626 6.651
344 HG13 ILE 862 HG13 ILE 52 10.041 -3.991 7.123
345 HG21 ILE 862 HG21 ILE 52 11.161 -0.911 5.227
346 HG22 ILE 862 HG22 ILE 52 12.359 -0.901 6.546
347 HG23 ILE 862 HG23 ILE 52 10.965 0.201 6.585
348 HD11 ILE 862 HD11 ILE 52 10.900 -2.937 4.433
349 HD12 ILE 862 HD12 ILE 52 9.216 -3.185 4.983
350 HD13 ILE 862 HD13 ILE 52 10.324 -4.564 4.837
351 H HIS 863 H HIS 53 9.213 -0.300 9.452
352 HA HIS 863 HA HIS 53 10.832 2.108 9.314
353 HB2 HIS 863 HB2 HIS 53 8.496 2.406 9.072
354 HB3 HIS 863 HB3 HIS 53 8.082 1.489 10.452
355 HD1 HIS 863 HD1 HIS 53 10.858 4.186 11.213
356 HD2 HIS 863 HD2 HIS 53 6.779 3.693 10.938
357 HE1 HIS 863 HE1 HIS 53 9.918 6.478 11.074
358 H LYS 864 H LYS 54 12.215 2.747 10.785
359 HA LYS 864 HA LYS 54 11.551 2.133 13.615
360 HB2 LYS 864 HB2 LYS 54 14.307 2.135 12.306
361 HB3 LYS 864 HB3 LYS 54 13.956 1.907 14.003
362 HG2 LYS 864 HG2 LYS 54 13.000 0.015 11.714
363 HG3 LYS 864 HG3 LYS 54 14.431 -0.234 12.644
364 HD2 LYS 864 HD2 LYS 54 13.105 -0.518 14.735
365 HD3 LYS 864 HD3 LYS 54 11.658 -0.201 13.868
366 HE2 LYS 864 HE2 LYS 54 11.688 -2.503 13.906
367 HE3 LYS 864 HE3 LYS 54 12.242 -2.129 12.285
368 HZ1 LYS 864 HZ1 LYS 54 13.640 -3.841 13.353
369 HZ2 LYS 864 HZ2 LYS 54 14.016 -2.841 14.583
370 HZ3 LYS 864 HZ3 LYS 54 14.552 -2.519 13.072
371 H GLU 865 H GLU 55 12.615 3.512 15.188
372 HA GLU 865 HA GLU 55 12.245 6.290 14.674
373 HB2 GLU 865 HB2 GLU 55 12.873 6.563 16.974
374 HB3 GLU 865 HB3 GLU 55 11.845 5.151 16.820
375 HG2 GLU 865 HG2 GLU 55 14.004 3.754 16.837
376 HG3 GLU 865 HG3 GLU 55 14.877 5.236 17.197
377 H ASP 866 H ASP 56 14.643 4.558 13.446
378 HA ASP 866 HA ASP 56 17.033 6.044 13.948
379 HB2 ASP 866 HB2 ASP 56 16.164 4.277 11.700
380 HB3 ASP 866 HB3 ASP 56 17.786 4.934 11.854
381 H HIS 867 H HIS 57 14.145 6.611 11.933
382 HA HIS 867 HA HIS 57 15.609 8.740 10.524
383 HB2 HIS 867 HB2 HIS 57 14.631 8.284 8.693
384 HB3 HIS 867 HB3 HIS 57 14.766 6.648 9.307
385 HD1 HIS 867 HD1 HIS 57 12.427 9.290 8.084
386 HD2 HIS 867 HD2 HIS 57 12.283 5.524 9.921
387 HE1 HIS 867 HE1 HIS 57 10.057 8.514 7.815
388 H GLN 868 H GLN 58 13.783 9.922 9.281
389 HA GLN 868 HA GLN 58 12.142 11.505 11.131
390 HB2 GLN 868 HB2 GLN 58 13.110 13.596 10.444
391 HB3 GLN 868 HB3 GLN 58 14.363 12.563 11.121
392 HG2 GLN 868 HG2 GLN 58 13.888 13.005 8.138
393 HG3 GLN 868 HG3 GLN 58 15.072 13.870 9.097
394 HE21 GLN 868 HE21 GLN 58 16.965 12.659 9.917
395 HE22 GLN 868 HE22 GLN 58 17.342 11.104 9.194
396 H LEU 869 H LEU 59 10.582 12.799 10.134
397 HA LEU 869 HA LEU 59 9.558 11.808 7.495
398 HB2 LEU 869 HB2 LEU 59 8.120 13.580 9.497
399 HB3 LEU 869 HB3 LEU 59 7.441 12.610 8.190
400 HG LEU 869 HG LEU 59 6.713 11.702 10.154
401 HD11 LEU 869 HD11 LEU 59 7.392 10.126 8.454
402 HD12 LEU 869 HD12 LEU 59 7.450 9.435 10.080
403 HD13 LEU 869 HD13 LEU 59 8.967 9.909 9.287
404 HD21 LEU 869 HD21 LEU 59 7.896 10.964 12.051
405 HD22 LEU 869 HD22 LEU 59 8.441 12.620 11.737
406 HD23 LEU 869 HD23 LEU 59 9.474 11.231 11.308
407 H GLU 870 H GLU 60 8.580 13.183 5.977
408 HA GLU 870 HA GLU 60 9.352 16.054 6.268
409 HB2 GLU 870 HB2 GLU 60 9.752 16.268 3.970
410 HB3 GLU 870 HB3 GLU 60 10.828 15.074 4.681
411 HG2 GLU 870 HG2 GLU 60 9.544 13.274 3.623
412 HG3 GLU 870 HG3 GLU 60 8.354 14.446 3.026
413 HA PRO 871 HA PRO 61 4.947 16.628 5.848
414 HB2 PRO 871 HB2 PRO 61 4.780 19.325 6.021
415 HB3 PRO 871 HB3 PRO 61 5.285 18.323 7.414
416 HG2 PRO 871 HG2 PRO 61 7.055 19.836 5.463
417 HG3 PRO 871 HG3 PRO 61 7.151 19.802 7.251
418 HD2 PRO 871 HD2 PRO 61 8.696 18.197 5.615
419 HD3 PRO 871 HD3 PRO 61 8.178 17.708 7.253
420 H ILE 872 H ILE 62 3.401 17.232 4.230
421 HA ILE 872 HA ILE 62 4.474 18.411 1.704
422 HB ILE 872 HB ILE 62 2.478 16.188 1.747
423 HG12 ILE 872 HG12 ILE 62 4.545 15.233 2.823
424 HG13 ILE 872 HG13 ILE 62 4.043 14.440 1.366
425 HG21 ILE 872 HG21 ILE 62 4.340 17.235 -0.431
426 HG22 ILE 872 HG22 ILE 62 2.641 17.641 -0.250
427 HG23 ILE 872 HG23 ILE 62 3.109 15.976 -0.625
428 HD11 ILE 872 HD11 ILE 62 6.220 16.545 1.398
429 HD12 ILE 872 HD12 ILE 62 5.786 15.457 0.064
430 HD13 ILE 872 HD13 ILE 62 6.504 14.795 1.548
431 H TYR 873 H TYR 63 3.462 20.171 1.396
432 HA TYR 873 HA TYR 63 0.895 20.740 2.689
433 HB2 TYR 873 HB2 TYR 63 3.034 22.558 1.520
434 HB3 TYR 873 HB3 TYR 63 1.553 23.109 2.280
435 HD1 TYR 873 HD1 TYR 63 1.052 22.384 4.705
436 HD2 TYR 873 HD2 TYR 63 4.968 22.171 2.903
437 HE1 TYR 873 HE1 TYR 63 2.090 22.336 6.963
438 HE2 TYR 873 HE2 TYR 63 6.006 22.137 5.163
439 HH TYR 873 HH TYR 63 5.638 22.320 7.448
440 H ARG 874 H ARG 64 1.369 19.300 0.038
441 HA ARG 874 HA ARG 64 -0.715 20.596 -1.552
442 HB2 ARG 874 HB2 ARG 64 0.721 20.740 -3.566
443 HB3 ARG 874 HB3 ARG 64 1.186 21.854 -2.274
444 HG2 ARG 874 HG2 ARG 64 3.099 20.438 -1.671
445 HG3 ARG 874 HG3 ARG 64 2.604 19.219 -2.867
446 HD2 ARG 874 HD2 ARG 64 2.831 20.880 -4.661
447 HD3 ARG 874 HD3 ARG 64 3.317 22.106 -3.464
448 HE ARG 874 HE ARG 64 5.043 19.840 -3.235
449 HH11 ARG 874 HH11 ARG 64 7.124 19.858 -4.021
450 HH12 ARG 874 HH12 ARG 64 7.581 20.983 -5.262
451 HH21 ARG 874 HH21 ARG 64 4.490 22.462 -5.487
452 HH22 ARG 874 HH22 ARG 64 6.130 22.428 -6.082
453 H1 ALA 1 H1 ALA 65 1.374 4.663 5.215
454 H2 ALA 1 H2 ALA 65 0.039 5.317 4.503
455 H3 ALA 1 H3 ALA 65 1.524 5.572 3.842
456 HA ALA 1 HA ALA 65 1.770 3.276 3.345
457 HB1 ALA 1 HB1 ALA 65 -0.144 1.748 3.594
458 HB2 ALA 1 HB2 ALA 65 -1.054 3.024 4.428
459 HB3 ALA 1 HB3 ALA 65 0.418 2.350 5.161
460 H ARG 2 H ARG 66 1.881 3.475 1.245
461 HA ARG 2 HA ARG 66 0.122 4.944 -0.417
462 HB2 ARG 2 HB2 ARG 66 1.256 4.085 -2.275
463 HB3 ARG 2 HB3 ARG 66 2.444 4.273 -1.014
464 HG2 ARG 2 HG2 ARG 66 1.264 1.695 -2.131
465 HG3 ARG 2 HG3 ARG 66 2.918 2.258 -2.242
466 HD2 ARG 2 HD2 ARG 66 3.302 1.883 0.118
467 HD3 ARG 2 HD3 ARG 66 1.621 1.439 0.405
468 HE ARG 2 HE ARG 66 3.718 -0.245 -0.629
469 HH11 ARG 2 HH11 ARG 66 3.341 -2.333 -1.015
470 HH12 ARG 2 HH12 ARG 66 1.718 -2.951 -1.176
471 HH21 ARG 2 HH21 ARG 66 0.191 0.112 -0.650
472 HH22 ARG 2 HH22 ARG 66 -0.029 -1.591 -0.949
473 H THR 3 H THR 67 -1.814 4.664 -1.032
474 HA THR 3 HA THR 67 -2.906 1.995 -1.818
475 HB THR 3 HB THR 67 -5.149 2.850 -1.173
476 HG1 THR 3 HG1 THR 67 -5.306 4.729 0.005
477 HG21 THR 3 HG21 THR 67 -3.239 3.024 1.190
478 HG22 THR 3 HG22 THR 67 -3.805 1.495 0.476
479 HG23 THR 3 HG23 THR 67 -4.961 2.614 1.224
480 HH31 ALY 4 H26 ALY 68 0.011 10.073 -10.810
481 HH32 ALY 4 H27 ALY 68 -1.613 10.648 -10.353
482 HH33 ALY 4 H28 ALY 68 -1.233 8.917 -10.289
483 HZ ALY 4 HZ1 ALY 68 -2.211 9.480 -8.104
484 HE3 ALY 4 HE3 ALY 68 -0.332 10.656 -6.137
485 HE2 ALY 4 HE2 ALY 68 -2.031 10.263 -5.868
486 HD3 ALY 4 HD3 ALY 68 0.206 8.205 -6.197
487 HD2 ALY 4 HD2 ALY 68 -0.449 8.777 -4.661
488 HG3 ALY 4 HG3 ALY 68 -2.739 7.951 -5.429
489 HG2 ALY 4 HG2 ALY 68 -1.916 7.156 -6.781
490 HB3 ALY 4 HB3 ALY 68 -0.482 5.910 -5.130
491 HB2 ALY 4 HB2 ALY 68 -1.333 6.731 -3.817
492 HCA ALY 4 HA ALY 68 -3.506 5.698 -4.869
493 H ALY 4 H ALY 68 -1.569 4.607 -3.055
494 H GLN 5 H GLN 69 -4.100 5.033 -6.885
495 HA GLN 5 HA GLN 69 -3.532 2.398 -7.696
496 HB2 GLN 5 HB2 GLN 69 -5.636 3.576 -8.106
497 HB3 GLN 5 HB3 GLN 69 -4.829 4.710 -9.183
498 HG2 GLN 5 HG2 GLN 69 -6.099 3.110 -10.475
499 HG3 GLN 5 HG3 GLN 69 -4.387 2.917 -10.810
500 HE21 GLN 5 HE21 GLN 69 -5.188 0.763 -11.687
501 HE22 GLN 5 HE22 GLN 69 -5.364 -0.555 -10.537
502 H THR 6 H THR 70 -2.034 5.398 -8.807
503 HA THR 6 HA THR 70 0.183 3.952 -10.002
504 HB THR 6 HB THR 70 -1.506 4.032 -11.870
505 HG1 THR 6 HG1 THR 70 0.570 3.866 -12.512
506 HG21 THR 6 HG21 THR 70 -2.480 6.287 -11.393
507 HG22 THR 6 HG22 THR 70 -1.916 6.094 -13.058
508 HG23 THR 6 HG23 THR 70 -0.945 7.031 -11.908
509 H ALA 7 H ALA 71 1.849 5.660 -10.867
510 HA ALA 7 HA ALA 71 1.686 8.258 -9.495
511 HB1 ALA 7 HB1 ALA 71 2.604 6.779 -7.760
512 HB2 ALA 7 HB2 ALA 71 3.827 7.934 -8.322
513 HB3 ALA 7 HB3 ALA 71 3.881 6.243 -8.875
514 H ARG 8 H ARG 72 3.065 9.830 -10.280
515 HA ARG 8 HA ARG 72 3.921 9.599 -13.045
516 HB2 ARG 8 HB2 ARG 72 2.924 11.643 -12.055
517 HB3 ARG 8 HB3 ARG 72 4.346 11.840 -11.024
518 HG2 ARG 8 HG2 ARG 72 5.784 12.098 -13.014
519 HG3 ARG 8 HG3 ARG 72 4.400 11.832 -14.084
520 HD2 ARG 8 HD2 ARG 72 4.641 14.116 -12.087
521 HD3 ARG 8 HD3 ARG 72 5.057 14.229 -13.808
522 HE ARG 8 HE ARG 72 2.430 13.269 -13.739
523 HH11 ARG 8 HH11 ARG 72 4.031 16.228 -12.785
524 HH12 ARG 8 HH12 ARG 72 2.597 17.193 -13.015
525 HH21 ARG 8 HH21 ARG 72 0.634 14.549 -14.011
526 HH22 ARG 8 HH22 ARG 72 0.728 16.254 -13.692
Start of MODEL 10
1 H1 GLY 811 H1 GLY 1 -0.372 26.655 -1.279
2 H2 GLY 811 H2 GLY 1 -1.624 26.965 -2.282
3 H3 GLY 811 H3 GLY 1 -0.333 26.125 -2.827
4 HA2 GLY 811 HA2 GLY 1 -2.177 24.620 -2.442
5 HA3 GLY 811 HA3 GLY 1 -0.818 24.260 -1.364
6 HA PRO 812 HA PRO 2 -4.949 25.229 0.771
7 HB2 PRO 812 HB2 PRO 2 -5.033 22.303 1.455
8 HB3 PRO 812 HB3 PRO 2 -6.368 23.397 0.986
9 HG2 PRO 812 HG2 PRO 2 -5.358 21.649 -0.815
10 HG3 PRO 812 HG3 PRO 2 -5.731 23.334 -1.307
11 HD2 PRO 812 HD2 PRO 2 -3.046 22.166 -0.524
12 HD3 PRO 812 HD3 PRO 2 -3.477 23.156 -1.948
13 H LEU 813 H LEU 3 -2.170 23.570 1.898
14 HA LEU 813 HA LEU 3 -0.933 23.553 3.774
15 HB2 LEU 813 HB2 LEU 3 -2.502 26.078 4.314
16 HB3 LEU 813 HB3 LEU 3 -1.177 25.563 5.339
17 HG LEU 813 HG LEU 3 -0.666 25.806 2.365
18 HD11 LEU 813 HD11 LEU 3 -0.067 28.176 2.668
19 HD12 LEU 813 HD12 LEU 3 -0.692 28.128 4.334
20 HD13 LEU 813 HD13 LEU 3 -1.795 27.911 2.956
21 HD21 LEU 813 HD21 LEU 3 1.051 26.420 4.810
22 HD22 LEU 813 HD22 LEU 3 1.573 26.390 3.112
23 HD23 LEU 813 HD23 LEU 3 1.078 24.894 3.916
24 H GLY 814 H GLY 4 -4.289 24.025 4.853
25 HA2 GLY 814 HA2 GLY 4 -3.704 22.396 7.315
26 HA3 GLY 814 HA3 GLY 4 -4.783 23.788 7.252
27 H SER 815 H SER 5 -5.357 22.000 4.487
28 HA SER 815 HA SER 5 -7.465 20.297 5.657
29 HB2 SER 815 HB2 SER 5 -9.073 21.286 4.061
30 HB3 SER 815 HB3 SER 5 -8.421 22.490 5.195
31 HG SER 815 HG SER 5 -8.418 23.256 3.013
32 H VAL 816 H VAL 6 -4.822 19.916 4.038
33 HA VAL 816 HA VAL 6 -5.403 19.141 1.383
34 HB VAL 816 HB VAL 6 -3.139 18.421 3.297
35 HG11 VAL 816 HG11 VAL 6 -3.163 18.448 0.296
36 HG12 VAL 816 HG12 VAL 6 -3.057 17.025 1.376
37 HG13 VAL 816 HG13 VAL 6 -1.736 18.213 1.347
38 HG21 VAL 816 HG21 VAL 6 -1.961 20.330 2.537
39 HG22 VAL 816 HG22 VAL 6 -3.524 20.955 2.973
40 HG23 VAL 816 HG23 VAL 6 -3.166 20.677 1.257
41 H GLN 817 H GLN 7 -6.178 17.334 0.528
42 HA GLN 817 HA GLN 7 -6.665 14.996 2.318
43 HB2 GLN 817 HB2 GLN 7 -8.329 14.392 0.608
44 HB3 GLN 817 HB3 GLN 7 -8.672 15.887 1.481
45 HG2 GLN 817 HG2 GLN 7 -8.870 17.079 -0.371
46 HG3 GLN 817 HG3 GLN 7 -7.271 16.623 -0.909
47 HE21 GLN 817 HE21 GLN 7 -7.055 14.463 -1.980
48 HE22 GLN 817 HE22 GLN 7 -8.377 13.979 -3.064
49 H HIS 818 H HIS 8 -5.308 13.315 2.144
50 HA HIS 818 HA HIS 8 -4.055 12.790 -0.523
51 HB2 HIS 818 HB2 HIS 8 -2.968 12.769 2.230
52 HB3 HIS 818 HB3 HIS 8 -2.472 11.449 1.178
53 HD2 HIS 818 HD2 HIS 8 -1.846 15.085 1.719
54 HE1 HIS 818 HE1 HIS 8 -0.649 14.457 -2.309
55 HE2 HIS 818 HE2 HIS 8 -0.719 16.138 -0.442
56 H VAL 819 H VAL 9 -6.114 11.948 -1.063
57 HA VAL 819 HA VAL 9 -6.998 9.343 -0.307
58 HB VAL 819 HB VAL 9 -7.276 10.875 -2.877
59 HG11 VAL 819 HG11 VAL 9 -8.741 8.363 -1.954
60 HG12 VAL 819 HG12 VAL 9 -7.631 8.473 -3.349
61 HG13 VAL 819 HG13 VAL 9 -9.164 9.357 -3.361
62 HG21 VAL 819 HG21 VAL 9 -8.362 11.935 -0.903
63 HG22 VAL 819 HG22 VAL 9 -9.124 10.384 -0.484
64 HG23 VAL 819 HG23 VAL 9 -9.589 11.246 -1.971
65 H GLY 820 H GLY 10 -6.125 7.410 -0.545
66 HA2 GLY 820 HA2 GLY 10 -4.748 5.748 -1.477
67 HA3 GLY 820 HA3 GLY 10 -3.914 6.950 -2.455
68 H PHE 821 H PHE 11 -4.044 8.153 0.749
69 HA PHE 821 HA PHE 11 -1.681 6.571 1.660
70 HB2 PHE 821 HB2 PHE 11 -1.873 9.558 1.977
71 HB3 PHE 821 HB3 PHE 11 -0.544 8.509 2.392
72 HD1 PHE 821 HD1 PHE 11 -2.448 9.879 -0.522
73 HD2 PHE 821 HD2 PHE 11 1.281 8.316 0.948
74 HE1 PHE 821 HE1 PHE 11 -1.299 10.744 -2.531
75 HE2 PHE 821 HE2 PHE 11 2.406 9.063 -1.141
76 HZ PHE 821 HZ PHE 11 1.117 10.396 -2.818
77 H LYS 822 H LYS 12 -2.947 5.404 3.034
78 HA LYS 822 HA LYS 12 -4.457 6.719 5.281
79 HB2 LYS 822 HB2 LYS 12 -5.612 4.916 4.668
80 HB3 LYS 822 HB3 LYS 12 -4.282 4.016 4.101
81 HG2 LYS 822 HG2 LYS 12 -4.455 4.395 7.132
82 HG3 LYS 822 HG3 LYS 12 -5.716 3.510 6.377
83 HD2 LYS 822 HD2 LYS 12 -4.015 1.984 5.291
84 HD3 LYS 822 HD3 LYS 12 -2.748 2.931 6.095
85 HE2 LYS 822 HE2 LYS 12 -3.105 0.906 7.318
86 HE3 LYS 822 HE3 LYS 12 -3.590 2.294 8.294
87 HZ1 LYS 822 HZ1 LYS 12 -5.188 0.398 8.391
88 HZ2 LYS 822 HZ2 LYS 12 -5.502 0.542 6.796
89 HZ3 LYS 822 HZ3 LYS 12 -5.922 1.743 7.840
90 H CYS 823 H CYS 13 -3.589 6.768 7.363
91 HA CYS 823 HA CYS 13 -0.745 6.954 7.627
92 HB2 CYS 823 HB2 CYS 13 -1.944 8.506 8.805
93 HB3 CYS 823 HB3 CYS 13 -3.224 7.391 9.215
94 H ASP 824 H ASP 14 0.541 5.934 9.158
95 HA ASP 824 HA ASP 14 0.134 2.995 9.541
96 HB2 ASP 824 HB2 ASP 14 2.602 4.772 9.552
97 HB3 ASP 824 HB3 ASP 14 2.608 3.103 10.086
98 H ASN 825 H ASN 15 0.804 6.010 11.383
99 HA ASN 825 HA ASN 15 1.486 4.723 13.862
100 HB2 ASN 825 HB2 ASN 15 1.911 7.118 13.154
101 HB3 ASN 825 HB3 ASN 15 0.223 7.452 13.524
102 HD21 ASN 825 HD21 ASN 15 -0.438 7.212 15.823
103 HD22 ASN 825 HD22 ASN 15 0.814 7.276 17.061
104 H CYS 826 H CYS 16 -1.574 6.250 12.783
105 HA CYS 826 HA CYS 16 -3.005 4.852 14.948
106 HB2 CYS 826 HB2 CYS 16 -4.246 6.719 15.389
107 HB3 CYS 826 HB3 CYS 16 -2.611 7.306 15.238
108 H GLY 827 H GLY 17 -2.726 4.875 11.558
109 HA2 GLY 827 HA2 GLY 17 -3.513 3.249 10.202
110 HA3 GLY 827 HA3 GLY 17 -4.614 2.692 11.443
111 H ILE 828 H ILE 18 -4.933 6.024 11.034
112 HA ILE 828 HA ILE 18 -7.562 5.816 10.130
113 HB ILE 828 HB ILE 18 -6.887 7.600 11.540
114 HG12 ILE 828 HG12 ILE 18 -7.548 8.843 8.822
115 HG13 ILE 828 HG13 ILE 18 -8.727 8.022 9.812
116 HG21 ILE 828 HG21 ILE 18 -4.524 7.855 10.779
117 HG22 ILE 828 HG22 ILE 18 -5.385 9.373 10.913
118 HG23 ILE 828 HG23 ILE 18 -5.105 8.665 9.309
119 HD11 ILE 828 HD11 ILE 18 -7.262 10.580 10.548
120 HD12 ILE 828 HD12 ILE 18 -8.313 9.669 11.662
121 HD13 ILE 828 HD13 ILE 18 -8.979 10.372 10.177
122 H GLU 829 H GLU 19 -8.507 6.233 8.236
123 HA GLU 829 HA GLU 19 -7.289 5.439 5.805
124 HB2 GLU 829 HB2 GLU 19 -9.694 7.071 5.644
125 HB3 GLU 829 HB3 GLU 19 -9.382 5.476 4.957
126 HG2 GLU 829 HG2 GLU 19 -9.784 4.449 7.202
127 HG3 GLU 829 HG3 GLU 19 -10.332 6.025 7.781
128 HA PRO 830 HA PRO 20 -5.602 8.485 3.336
129 HB2 PRO 830 HB2 PRO 20 -8.332 9.607 2.632
130 HB3 PRO 830 HB3 PRO 20 -6.821 9.660 1.678
131 HG2 PRO 830 HG2 PRO 20 -8.557 7.669 1.274
132 HG3 PRO 830 HG3 PRO 20 -6.804 7.303 1.384
133 HD2 PRO 830 HD2 PRO 20 -8.972 6.915 3.406
134 HD3 PRO 830 HD3 PRO 20 -7.469 5.965 3.165
135 H ILE 831 H ILE 21 -4.394 9.784 4.423
136 HA ILE 831 HA ILE 21 -5.080 11.274 6.645
137 HB ILE 831 HB ILE 21 -2.720 11.519 4.753
138 HG12 ILE 831 HG12 ILE 21 -2.781 10.298 7.546
139 HG13 ILE 831 HG13 ILE 21 -3.220 9.350 6.156
140 HG21 ILE 831 HG21 ILE 21 -2.798 13.653 5.938
141 HG22 ILE 831 HG22 ILE 21 -1.521 12.685 6.661
142 HG23 ILE 831 HG23 ILE 21 -3.083 12.828 7.482
143 HD11 ILE 831 HD11 ILE 21 -0.532 10.708 6.503
144 HD12 ILE 831 HD12 ILE 21 -1.056 9.759 5.091
145 HD13 ILE 831 HD13 ILE 21 -0.889 8.986 6.678
146 H GLN 832 H GLN 22 -5.609 13.250 7.189
147 HA GLN 832 HA GLN 22 -6.264 15.193 5.020
148 HB2 GLN 832 HB2 GLN 22 -7.598 14.868 7.726
149 HB3 GLN 832 HB3 GLN 22 -8.049 15.990 6.442
150 HG2 GLN 832 HG2 GLN 22 -8.184 12.951 6.222
151 HG3 GLN 832 HG3 GLN 22 -9.531 14.003 6.593
152 HE21 GLN 832 HE21 GLN 22 -8.434 12.247 4.103
153 HE22 GLN 832 HE22 GLN 22 -9.070 13.250 2.792
154 H GLY 833 H GLY 23 -5.596 17.246 5.176
155 HA2 GLY 833 HA2 GLY 23 -5.209 19.253 6.584
156 HA3 GLY 833 HA3 GLY 23 -4.287 18.253 7.666
157 H VAL 834 H VAL 24 -2.526 17.010 6.635
158 HA VAL 834 HA VAL 24 -0.929 18.162 4.513
159 HB VAL 834 HB VAL 24 -0.584 19.555 6.580
160 HG11 VAL 834 HG11 VAL 24 -0.881 17.771 8.245
161 HG12 VAL 834 HG12 VAL 24 0.570 18.765 8.497
162 HG13 VAL 834 HG13 VAL 24 0.724 17.134 7.802
163 HG21 VAL 834 HG21 VAL 24 1.894 19.503 6.603
164 HG22 VAL 834 HG22 VAL 24 1.253 19.450 4.963
165 HG23 VAL 834 HG23 VAL 24 1.869 17.966 5.730
166 H ARG 835 H ARG 25 0.439 16.448 3.705
167 HA ARG 835 HA ARG 25 0.093 13.792 5.043
168 HB2 ARG 835 HB2 ARG 25 0.462 14.435 2.343
169 HB3 ARG 835 HB3 ARG 25 2.075 13.981 2.853
170 HG2 ARG 835 HG2 ARG 25 0.826 11.884 3.928
171 HG3 ARG 835 HG3 ARG 25 -0.427 12.295 2.762
172 HD2 ARG 835 HD2 ARG 25 2.493 11.628 2.242
173 HD3 ARG 835 HD3 ARG 25 1.096 10.623 1.861
174 HE ARG 835 HE ARG 25 0.463 12.640 0.283
175 HH11 ARG 835 HH11 ARG 25 3.555 11.028 0.618
176 HH12 ARG 835 HH12 ARG 25 4.159 11.649 -0.883
177 HH21 ARG 835 HH21 ARG 25 1.271 13.326 -1.689
178 HH22 ARG 835 HH22 ARG 25 2.878 12.886 -2.180
179 H TRP 836 H TRP 26 2.024 12.528 5.647
180 HA TRP 836 HA TRP 26 4.494 14.142 6.033
181 HB2 TRP 836 HB2 TRP 26 3.307 12.467 8.250
182 HB3 TRP 836 HB3 TRP 26 4.953 12.944 8.132
183 HD1 TRP 836 HD1 TRP 26 1.612 14.581 8.873
184 HE1 TRP 836 HE1 TRP 26 2.106 16.899 9.950
185 HE3 TRP 836 HE3 TRP 26 6.548 14.951 7.750
186 HZ2 TRP 836 HZ2 TRP 26 4.438 18.472 10.558
187 HZ3 TRP 836 HZ3 TRP 26 7.949 16.749 8.701
188 HH2 TRP 836 HH2 TRP 26 6.920 18.504 10.138
189 H HIS 837 H HIS 27 5.512 13.254 4.419
190 HA HIS 837 HA HIS 27 5.341 10.333 3.851
191 HB2 HIS 837 HB2 HIS 27 5.004 12.030 2.060
192 HB3 HIS 837 HB3 HIS 27 6.628 12.644 2.332
193 HD2 HIS 837 HD2 HIS 27 8.651 11.304 1.268
194 HE1 HIS 837 HE1 HIS 27 6.441 8.078 -0.433
195 HE2 HIS 837 HE2 HIS 27 8.732 9.187 -0.300
196 H CYS 838 H CYS 28 6.721 9.086 4.953
197 HA CYS 838 HA CYS 28 9.097 9.852 6.235
198 HB2 CYS 838 HB2 CYS 28 7.849 7.331 5.223
199 HB3 CYS 838 HB3 CYS 28 9.572 7.302 5.643
200 H GLN 839 H GLN 29 11.089 10.399 5.579
201 HA GLN 839 HA GLN 29 11.624 10.582 2.733
202 HB2 GLN 839 HB2 GLN 29 13.281 11.277 5.173
203 HB3 GLN 839 HB3 GLN 29 13.814 11.601 3.538
204 HG2 GLN 839 HG2 GLN 29 11.115 12.696 4.410
205 HG3 GLN 839 HG3 GLN 29 12.586 13.488 4.920
206 HE21 GLN 839 HE21 GLN 29 12.721 15.350 3.626
207 HE22 GLN 839 HE22 GLN 29 12.573 15.303 1.879
208 H ASP 840 H ASP 30 12.822 8.506 5.357
209 HA ASP 840 HA ASP 30 14.936 7.374 3.577
210 HB2 ASP 840 HB2 ASP 30 15.523 8.349 5.758
211 HB3 ASP 840 HB3 ASP 30 14.473 7.193 6.559
212 H CYS 841 H CYS 31 11.995 6.389 5.296
213 HA CYS 841 HA CYS 31 12.380 3.587 5.079
214 HB2 CYS 841 HB2 CYS 31 9.784 5.167 5.285
215 HB3 CYS 841 HB3 CYS 31 9.978 3.435 5.491
216 HA PRO 842 HA PRO 32 12.191 2.985 0.801
217 HB2 PRO 842 HB2 PRO 32 11.578 0.360 0.455
218 HB3 PRO 842 HB3 PRO 32 13.033 0.884 1.358
219 HG2 PRO 842 HG2 PRO 32 10.336 0.055 2.479
220 HG3 PRO 842 HG3 PRO 32 11.964 -0.495 2.984
221 HD2 PRO 842 HD2 PRO 32 10.557 1.554 4.205
222 HD3 PRO 842 HD3 PRO 32 12.332 1.430 4.215
223 HA PRO 843 HA PRO 33 8.213 3.747 -0.998
224 HB2 PRO 843 HB2 PRO 33 8.447 2.738 -3.561
225 HB3 PRO 843 HB3 PRO 33 9.266 4.205 -2.960
226 HG2 PRO 843 HG2 PRO 33 10.423 1.415 -3.138
227 HG3 PRO 843 HG3 PRO 33 11.123 2.950 -3.753
228 HD2 PRO 843 HD2 PRO 33 11.875 1.968 -1.366
229 HD3 PRO 843 HD3 PRO 33 11.592 3.725 -1.557
230 H GLU 844 H GLU 34 9.370 0.432 -1.205
231 HA GLU 844 HA GLU 34 6.968 -0.969 -1.710
232 HB2 GLU 844 HB2 GLU 34 9.193 -1.987 -1.681
233 HB3 GLU 844 HB3 GLU 34 9.326 -1.732 0.067
234 HG2 GLU 844 HG2 GLU 34 7.566 -3.339 0.505
235 HG3 GLU 844 HG3 GLU 34 7.112 -3.388 -1.202
236 H MET 845 H MET 35 8.134 0.417 1.326
237 HA MET 845 HA MET 35 5.709 -0.455 2.826
238 HB2 MET 845 HB2 MET 35 8.266 0.971 3.637
239 HB3 MET 845 HB3 MET 35 6.896 0.789 4.721
240 HG2 MET 845 HG2 MET 35 8.240 -1.569 3.378
241 HG3 MET 845 HG3 MET 35 8.707 -0.942 4.949
242 HE1 MET 845 HE1 MET 35 5.777 -1.854 7.321
243 HE2 MET 845 HE2 MET 35 6.041 -0.272 6.561
244 HE3 MET 845 HE3 MET 35 7.424 -1.206 7.182
245 H SER 846 H SER 36 7.300 2.550 1.758
246 HA SER 846 HA SER 36 6.754 4.742 1.917
247 HB2 SER 846 HB2 SER 36 5.867 3.992 -0.241
248 HB3 SER 846 HB3 SER 36 4.274 3.773 0.499
249 HG SER 846 HG SER 36 4.602 5.870 -0.544
250 H LEU 847 H LEU 37 6.695 4.940 4.107
251 HA LEU 847 HA LEU 37 4.237 4.483 5.605
252 HB2 LEU 847 HB2 LEU 37 7.082 5.190 6.324
253 HB3 LEU 847 HB3 LEU 37 5.816 5.442 7.473
254 HG LEU 847 HG LEU 37 5.567 2.754 6.216
255 HD11 LEU 847 HD11 LEU 37 7.644 1.763 7.044
256 HD12 LEU 847 HD12 LEU 37 8.260 3.426 7.309
257 HD13 LEU 847 HD13 LEU 37 7.821 2.867 5.674
258 HD21 LEU 847 HD21 LEU 37 5.094 3.730 8.777
259 HD22 LEU 847 HD22 LEU 37 6.414 2.503 8.910
260 HD23 LEU 847 HD23 LEU 37 4.907 2.091 8.144
261 H ASP 848 H ASP 38 3.056 6.008 6.804
262 HA ASP 848 HA ASP 38 3.511 8.841 6.183
263 HB2 ASP 848 HB2 ASP 38 0.864 7.547 5.551
264 HB3 ASP 848 HB3 ASP 38 1.273 9.261 5.468
265 H PHE 849 H PHE 39 2.569 10.314 7.515
266 HA PHE 849 HA PHE 39 0.947 9.351 9.812
267 HB2 PHE 849 HB2 PHE 39 3.315 11.255 10.195
268 HB3 PHE 849 HB3 PHE 39 2.209 10.642 11.367
269 HD1 PHE 849 HD1 PHE 39 2.963 8.977 12.735
270 HD2 PHE 849 HD2 PHE 39 4.745 9.331 8.810
271 HE1 PHE 849 HE1 PHE 39 4.402 7.019 13.201
272 HE2 PHE 849 HE2 PHE 39 6.175 7.466 9.291
273 HZ PHE 849 HZ PHE 39 5.995 6.172 11.474
274 H CYS 850 H CYS 40 -0.511 10.789 10.679
275 HA CYS 850 HA CYS 40 -1.498 12.941 9.094
276 HB2 CYS 850 HB2 CYS 40 -2.114 12.144 11.967
277 HB3 CYS 850 HB3 CYS 40 -3.176 13.046 10.871
278 H ASP 851 H ASP 41 -2.169 15.037 10.211
279 HA ASP 851 HA ASP 41 0.029 16.668 10.951
280 HB2 ASP 851 HB2 ASP 41 -1.561 18.351 11.361
281 HB3 ASP 851 HB3 ASP 41 -2.148 17.443 9.986
282 H SER 852 H SER 42 -2.147 14.730 12.963
283 HA SER 852 HA SER 42 -1.169 15.861 15.462
284 HB2 SER 852 HB2 SER 42 -3.537 15.289 15.179
285 HB3 SER 852 HB3 SER 42 -3.108 13.593 14.908
286 HG SER 852 HG SER 42 -3.730 14.039 17.104
287 H CYS 853 H CYS 43 -0.956 12.659 13.797
288 HA CYS 853 HA CYS 43 0.524 11.565 16.006
289 HB2 CYS 853 HB2 CYS 43 0.005 9.502 15.099
290 HB3 CYS 853 HB3 CYS 43 -1.381 10.541 14.768
291 H SER 854 H SER 44 1.403 12.896 12.909
292 HA SER 854 HA SER 44 4.045 11.766 12.712
293 HB2 SER 854 HB2 SER 44 2.900 13.187 10.940
294 HB3 SER 854 HB3 SER 44 3.312 14.594 11.922
295 HG SER 854 HG SER 44 4.946 14.247 10.435
296 H ASP 855 H ASP 45 2.729 13.695 15.176
297 HA ASP 855 HA ASP 45 5.141 15.055 16.042
298 HB2 ASP 855 HB2 ASP 45 2.764 15.677 16.701
299 HB3 ASP 855 HB3 ASP 45 2.730 14.205 17.687
300 H CYS 856 H CYS 46 4.283 11.785 15.832
301 HA CYS 856 HA CYS 46 5.814 10.928 18.197
302 HB2 CYS 856 HB2 CYS 46 3.666 9.818 17.797
303 HB3 CYS 856 HB3 CYS 46 4.251 9.278 16.204
304 HG CYS 856 HG CYS 46 4.339 7.221 17.736
305 H LEU 857 H LEU 47 7.741 10.097 18.074
306 HA LEU 857 HA LEU 47 9.157 9.892 15.463
307 HB2 LEU 857 HB2 LEU 47 10.167 11.293 17.168
308 HB3 LEU 857 HB3 LEU 47 10.203 9.964 18.323
309 HG LEU 857 HG LEU 47 11.861 8.769 17.023
310 HD11 LEU 857 HD11 LEU 47 11.210 9.121 14.745
311 HD12 LEU 857 HD12 LEU 47 12.805 9.876 14.906
312 HD13 LEU 857 HD13 LEU 47 11.362 10.894 14.899
313 HD21 LEU 857 HD21 LEU 47 12.664 10.609 18.467
314 HD22 LEU 857 HD22 LEU 47 12.543 11.742 17.102
315 HD23 LEU 857 HD23 LEU 47 13.712 10.411 17.058
316 H HIS 858 H HIS 48 8.187 8.056 14.708
317 HA HIS 858 HA HIS 48 8.038 5.673 16.426
318 HB2 HIS 858 HB2 HIS 48 5.991 6.657 15.386
319 HB3 HIS 858 HB3 HIS 48 6.667 6.274 13.799
320 HD2 HIS 858 HD2 HIS 48 5.657 4.118 12.842
321 HE1 HIS 858 HE1 HIS 48 4.973 1.920 16.431
322 HE2 HIS 858 HE2 HIS 48 4.722 1.885 13.901
323 H GLU 859 H GLU 49 8.340 3.578 15.724
324 HA GLU 859 HA GLU 49 10.160 3.128 13.485
325 HB2 GLU 859 HB2 GLU 49 10.912 1.956 16.172
326 HB3 GLU 859 HB3 GLU 49 11.857 2.086 14.739
327 HG2 GLU 859 HG2 GLU 49 11.880 4.602 15.038
328 HG3 GLU 859 HG3 GLU 49 11.057 4.367 16.567
329 H THR 860 H THR 50 10.126 1.079 12.646
330 HA THR 860 HA THR 50 8.502 -1.039 13.978
331 HB THR 860 HB THR 50 7.429 -1.735 12.034
332 HG1 THR 860 HG1 THR 50 7.856 -0.917 10.006
333 HG21 THR 860 HG21 THR 50 6.181 0.241 11.154
334 HG22 THR 860 HG22 THR 50 7.247 1.325 12.073
335 HG23 THR 860 HG23 THR 50 6.230 0.163 12.923
336 H ASP 861 H ASP 51 9.225 -2.794 11.590
337 HA ASP 861 HA ASP 51 11.914 -3.584 12.382
338 HB2 ASP 861 HB2 ASP 51 10.041 -4.621 10.306
339 HB3 ASP 861 HB3 ASP 51 11.599 -5.334 10.674
340 H ILE 862 H ILE 52 10.338 -1.827 9.825
341 HA ILE 862 HA ILE 52 12.842 -1.399 8.338
342 HB ILE 862 HB ILE 52 9.900 -0.924 7.724
343 HG12 ILE 862 HG12 ILE 52 10.859 -3.160 7.201
344 HG13 ILE 862 HG13 ILE 52 10.196 -2.331 5.827
345 HG21 ILE 862 HG21 ILE 52 10.873 1.088 6.972
346 HG22 ILE 862 HG22 ILE 52 10.682 0.022 5.568
347 HG23 ILE 862 HG23 ILE 52 12.296 0.251 6.328
348 HD11 ILE 862 HD11 ILE 52 12.474 -1.767 5.046
349 HD12 ILE 862 HD12 ILE 52 12.275 -3.513 5.281
350 HD13 ILE 862 HD13 ILE 52 13.162 -2.567 6.485
351 H HIS 863 H HIS 53 10.118 0.252 9.938
352 HA HIS 863 HA HIS 53 11.135 2.865 9.330
353 HB2 HIS 863 HB2 HIS 53 8.977 2.774 9.213
354 HB3 HIS 863 HB3 HIS 53 8.617 1.652 10.354
355 HD1 HIS 863 HD1 HIS 53 6.618 3.440 10.672
356 HD2 HIS 863 HD2 HIS 53 10.426 4.912 11.327
357 HE1 HIS 863 HE1 HIS 53 6.908 5.405 9.127
358 H LYS 864 H LYS 54 12.399 4.212 10.531
359 HA LYS 864 HA LYS 54 12.970 3.507 13.357
360 HB2 LYS 864 HB2 LYS 54 15.159 3.902 11.287
361 HB3 LYS 864 HB3 LYS 54 15.347 3.655 12.998
362 HG2 LYS 864 HG2 LYS 54 14.092 1.580 11.113
363 HG3 LYS 864 HG3 LYS 54 15.749 1.570 11.602
364 HD2 LYS 864 HD2 LYS 54 15.202 1.052 13.897
365 HD3 LYS 864 HD3 LYS 54 13.537 1.347 13.636
366 HE2 LYS 864 HE2 LYS 54 13.738 -0.983 13.594
367 HE3 LYS 864 HE3 LYS 54 13.447 -0.498 11.930
368 HZ1 LYS 864 HZ1 LYS 54 15.228 -2.151 12.074
369 HZ2 LYS 864 HZ2 LYS 54 16.113 -1.219 13.080
370 HZ3 LYS 864 HZ3 LYS 54 15.873 -0.760 11.523
371 H GLU 865 H GLU 55 14.045 5.127 14.586
372 HA GLU 865 HA GLU 55 13.267 7.804 13.913
373 HB2 GLU 865 HB2 GLU 55 14.083 8.350 16.106
374 HB3 GLU 865 HB3 GLU 55 13.262 6.798 16.203
375 HG2 GLU 865 HG2 GLU 55 15.618 5.746 16.050
376 HG3 GLU 865 HG3 GLU 55 16.267 7.366 16.192
377 H ASP 866 H ASP 56 15.719 6.201 12.589
378 HA ASP 866 HA ASP 56 18.012 7.830 12.960
379 HB2 ASP 866 HB2 ASP 56 17.804 5.405 12.208
380 HB3 ASP 866 HB3 ASP 56 17.416 6.071 10.629
381 H HIS 867 H HIS 57 15.149 8.338 11.184
382 HA HIS 867 HA HIS 57 16.404 9.907 9.017
383 HB2 HIS 867 HB2 HIS 57 14.517 9.268 7.800
384 HB3 HIS 867 HB3 HIS 57 15.226 7.879 8.566
385 HD1 HIS 867 HD1 HIS 57 12.482 10.130 10.312
386 HD2 HIS 867 HD2 HIS 57 13.254 6.446 8.488
387 HE1 HIS 867 HE1 HIS 57 10.217 9.008 10.043
388 H GLN 868 H GLN 58 14.004 10.955 8.155
389 HA GLN 868 HA GLN 58 12.801 12.791 10.046
390 HB2 GLN 868 HB2 GLN 58 13.263 14.816 8.679
391 HB3 GLN 868 HB3 GLN 58 14.681 14.169 9.485
392 HG2 GLN 868 HG2 GLN 58 14.072 13.540 6.564
393 HG3 GLN 868 HG3 GLN 58 14.916 14.999 7.058
394 HE21 GLN 868 HE21 GLN 58 16.983 14.606 8.450
395 HE22 GLN 868 HE22 GLN 58 17.903 13.179 7.994
396 H LEU 869 H LEU 59 10.902 13.894 9.109
397 HA LEU 869 HA LEU 59 9.596 12.322 6.918
398 HB2 LEU 869 HB2 LEU 59 8.343 14.039 9.092
399 HB3 LEU 869 HB3 LEU 59 7.522 13.021 7.915
400 HG LEU 869 HG LEU 59 7.326 12.104 10.044
401 HD11 LEU 869 HD11 LEU 59 7.525 10.554 8.160
402 HD12 LEU 869 HD12 LEU 59 8.062 9.834 9.671
403 HD13 LEU 869 HD13 LEU 59 9.273 10.396 8.492
404 HD21 LEU 869 HD21 LEU 59 10.297 11.665 10.374
405 HD22 LEU 869 HD22 LEU 59 8.990 11.308 11.510
406 HD23 LEU 869 HD23 LEU 59 9.384 12.993 11.142
407 H GLU 870 H GLU 60 8.503 13.351 5.287
408 HA GLU 870 HA GLU 60 9.126 16.241 4.891
409 HB2 GLU 870 HB2 GLU 60 9.805 14.545 3.189
410 HB3 GLU 870 HB3 GLU 60 8.120 14.151 2.962
411 HG2 GLU 870 HG2 GLU 60 8.533 15.529 1.225
412 HG3 GLU 870 HG3 GLU 60 7.796 16.654 2.361
413 HA PRO 871 HA PRO 61 4.668 16.829 5.708
414 HB2 PRO 871 HB2 PRO 61 4.622 19.533 5.914
415 HB3 PRO 871 HB3 PRO 61 5.193 18.481 7.236
416 HG2 PRO 871 HG2 PRO 61 6.848 20.004 5.216
417 HG3 PRO 871 HG3 PRO 61 7.131 19.818 6.973
418 HD2 PRO 871 HD2 PRO 61 8.373 18.304 4.995
419 HD3 PRO 871 HD3 PRO 61 8.120 17.723 6.660
420 H ILE 872 H ILE 62 3.022 17.159 4.158
421 HA ILE 872 HA ILE 62 3.817 18.482 1.595
422 HB ILE 872 HB ILE 62 1.948 16.156 1.731
423 HG12 ILE 872 HG12 ILE 62 4.145 15.296 2.567
424 HG13 ILE 872 HG13 ILE 62 3.623 14.564 1.074
425 HG21 ILE 872 HG21 ILE 62 3.537 17.405 -0.559
426 HG22 ILE 872 HG22 ILE 62 1.827 17.642 -0.235
427 HG23 ILE 872 HG23 ILE 62 2.410 16.038 -0.697
428 HD11 ILE 872 HD11 ILE 62 6.047 15.109 1.140
429 HD12 ILE 872 HD12 ILE 62 5.627 16.839 1.173
430 HD13 ILE 872 HD13 ILE 62 5.193 15.845 -0.231
431 H TYR 873 H TYR 63 2.721 20.192 1.373
432 HA TYR 873 HA TYR 63 0.320 20.726 2.958
433 HB2 TYR 873 HB2 TYR 63 2.288 22.521 1.502
434 HB3 TYR 873 HB3 TYR 63 0.907 23.112 2.400
435 HD1 TYR 873 HD1 TYR 63 0.696 22.277 4.912
436 HD2 TYR 873 HD2 TYR 63 4.367 22.305 2.638
437 HE1 TYR 873 HE1 TYR 63 1.989 22.284 7.018
438 HE2 TYR 873 HE2 TYR 63 5.667 22.303 4.765
439 HH TYR 873 HH TYR 63 4.097 22.386 7.985
440 H ARG 874 H ARG 64 0.473 19.295 0.281
441 HA ARG 874 HA ARG 64 -1.817 20.496 -1.087
442 HB2 ARG 874 HB2 ARG 64 -0.576 20.723 -3.217
443 HB3 ARG 874 HB3 ARG 64 0.023 21.814 -1.965
444 HG2 ARG 874 HG2 ARG 64 1.918 20.234 -1.515
445 HG3 ARG 874 HG3 ARG 64 1.338 19.180 -2.805
446 HD2 ARG 874 HD2 ARG 64 2.094 22.088 -3.141
447 HD3 ARG 874 HD3 ARG 64 3.205 20.719 -3.406
448 HE ARG 874 HE ARG 64 0.948 20.205 -4.995
449 HH11 ARG 874 HH11 ARG 64 3.489 22.622 -4.959
450 HH12 ARG 874 HH12 ARG 64 3.364 22.908 -6.673
451 HH21 ARG 874 HH21 ARG 64 0.836 20.635 -7.173
452 HH22 ARG 874 HH22 ARG 64 1.909 21.801 -7.887
453 H1 ALA 1 H1 ALA 65 1.624 4.643 5.578
454 H2 ALA 1 H2 ALA 65 0.225 5.249 4.948
455 H3 ALA 1 H3 ALA 65 1.662 5.552 4.203
456 HA ALA 1 HA ALA 65 1.961 3.271 3.704
457 HB1 ALA 1 HB1 ALA 65 -0.807 2.888 4.890
458 HB2 ALA 1 HB2 ALA 65 0.718 2.307 5.588
459 HB3 ALA 1 HB3 ALA 65 0.156 1.659 4.043
460 H ARG 2 H ARG 66 1.975 3.494 1.639
461 HA ARG 2 HA ARG 66 0.100 4.742 -0.051
462 HB2 ARG 2 HB2 ARG 66 1.249 3.762 -1.872
463 HB3 ARG 2 HB3 ARG 66 2.431 4.140 -0.649
464 HG2 ARG 2 HG2 ARG 66 1.416 1.410 -1.520
465 HG3 ARG 2 HG3 ARG 66 3.045 2.052 -1.642
466 HD2 ARG 2 HD2 ARG 66 3.325 1.942 0.788
467 HD3 ARG 2 HD3 ARG 66 1.692 1.334 1.012
468 HE ARG 2 HE ARG 66 4.028 -0.171 0.244
469 HH11 ARG 2 HH11 ARG 66 3.925 -2.275 0.032
470 HH12 ARG 2 HH12 ARG 66 2.406 -3.124 -0.180
471 HH21 ARG 2 HH21 ARG 66 0.498 -0.221 -0.007
472 HH22 ARG 2 HH22 ARG 66 0.485 -1.958 -0.186
473 H THR 3 H THR 67 -1.863 4.341 -0.526
474 HA THR 3 HA THR 67 -2.843 1.608 -1.211
475 HB THR 3 HB THR 67 -5.054 2.223 -0.289
476 HG1 THR 3 HG1 THR 67 -5.268 4.049 0.961
477 HG21 THR 3 HG21 THR 67 -2.926 2.532 1.871
478 HG22 THR 3 HG22 THR 67 -3.418 0.975 1.166
479 HG23 THR 3 HG23 THR 67 -4.592 1.953 2.063
480 HH31 ALY 4 H26 ALY 68 -3.705 13.341 -3.447
481 HH32 ALY 4 H27 ALY 68 -3.561 11.800 -2.576
482 HH33 ALY 4 H28 ALY 68 -4.895 12.045 -3.735
483 HZ ALY 4 HZ1 ALY 68 -3.601 9.855 -4.137
484 HE3 ALY 4 HE3 ALY 68 -2.780 9.364 -6.601
485 HE2 ALY 4 HE2 ALY 68 -1.361 10.277 -6.072
486 HD3 ALY 4 HD3 ALY 68 -0.719 8.075 -5.683
487 HD2 ALY 4 HD2 ALY 68 -1.237 8.626 -4.084
488 HG3 ALY 4 HG3 ALY 68 -3.518 7.559 -4.601
489 HG2 ALY 4 HG2 ALY 68 -2.781 6.889 -6.062
490 HB3 ALY 4 HB3 ALY 68 -1.047 5.756 -4.590
491 HB2 ALY 4 HB2 ALY 68 -1.875 6.416 -3.186
492 HCA ALY 4 HA ALY 68 -4.001 5.223 -4.088
493 H ALY 4 H ALY 68 -1.718 4.034 -2.706
494 H GLN 5 H GLN 69 -4.714 3.157 -4.997
495 HA GLN 5 HA GLN 69 -3.269 1.639 -6.892
496 HB2 GLN 5 HB2 GLN 69 -5.260 0.872 -5.705
497 HB3 GLN 5 HB3 GLN 69 -6.270 2.042 -6.567
498 HG2 GLN 5 HG2 GLN 69 -5.842 0.897 -8.696
499 HG3 GLN 5 HG3 GLN 69 -4.686 -0.195 -7.921
500 HE21 GLN 5 HE21 GLN 69 -6.428 -1.609 -9.227
501 HE22 GLN 5 HE22 GLN 69 -7.723 -2.219 -8.201
502 H THR 6 H THR 70 -2.904 1.756 -9.046
503 HA THR 6 HA THR 70 -3.334 4.252 -10.470
504 HB THR 6 HB THR 70 -2.170 3.048 -12.341
505 HG1 THR 6 HG1 THR 70 -2.727 0.904 -11.879
506 HG21 THR 6 HG21 THR 70 0.013 2.934 -11.257
507 HG22 THR 6 HG22 THR 70 -0.746 2.880 -9.648
508 HG23 THR 6 HG23 THR 70 -0.891 4.337 -10.657
509 H ALA 7 H ALA 71 -4.299 4.499 -12.552
510 HA ALA 7 HA ALA 71 -6.303 2.520 -13.440
511 HB1 ALA 7 HB1 ALA 71 -8.101 4.212 -13.434
512 HB2 ALA 7 HB2 ALA 71 -7.010 5.387 -12.662
513 HB3 ALA 7 HB3 ALA 71 -7.508 3.918 -11.793
514 H ARG 8 H ARG 72 -7.192 2.999 -15.550
515 HA ARG 8 HA ARG 72 -5.835 4.959 -17.290
516 HB2 ARG 8 HB2 ARG 72 -4.367 2.957 -17.265
517 HB3 ARG 8 HB3 ARG 72 -5.714 1.964 -17.829
518 HG2 ARG 8 HG2 ARG 72 -5.829 3.302 -19.922
519 HG3 ARG 8 HG3 ARG 72 -4.511 4.338 -19.329
520 HD2 ARG 8 HD2 ARG 72 -3.002 2.379 -19.261
521 HD3 ARG 8 HD3 ARG 72 -4.322 1.344 -19.852
522 HE ARG 8 HE ARG 72 -3.991 3.505 -21.673
523 HH11 ARG 8 HH11 ARG 72 -2.206 0.648 -20.711
524 HH12 ARG 8 HH12 ARG 72 -1.419 0.503 -22.258
525 HH21 ARG 8 HH21 ARG 72 -2.955 3.265 -23.622
526 HH22 ARG 8 HH22 ARG 72 -1.842 1.953 -23.863
Start of MODEL 11
1 H1 GLY 811 H1 GLY 1 -5.730 26.412 -1.717
2 H2 GLY 811 H2 GLY 1 -6.097 25.065 -2.572
3 H3 GLY 811 H3 GLY 1 -4.537 25.401 -2.216
4 HA2 GLY 811 HA2 GLY 1 -6.636 24.692 -0.245
5 HA3 GLY 811 HA3 GLY 1 -5.350 23.621 -0.802
6 HA PRO 812 HA PRO 2 -3.773 27.121 2.258
7 HB2 PRO 812 HB2 PRO 2 -5.660 26.213 4.429
8 HB3 PRO 812 HB3 PRO 2 -4.968 27.839 4.146
9 HG2 PRO 812 HG2 PRO 2 -7.505 27.306 3.385
10 HG3 PRO 812 HG3 PRO 2 -6.418 28.200 2.270
11 HD2 PRO 812 HD2 PRO 2 -7.121 25.256 2.224
12 HD3 PRO 812 HD3 PRO 2 -7.080 26.435 0.883
13 H LEU 813 H LEU 3 -2.237 26.842 3.894
14 HA LEU 813 HA LEU 3 -0.882 24.369 3.838
15 HB2 LEU 813 HB2 LEU 3 -0.540 26.882 5.520
16 HB3 LEU 813 HB3 LEU 3 0.540 25.506 5.653
17 HG LEU 813 HG LEU 3 1.183 25.726 3.269
18 HD11 LEU 813 HD11 LEU 3 0.772 27.904 2.123
19 HD12 LEU 813 HD12 LEU 3 -0.441 28.306 3.358
20 HD13 LEU 813 HD13 LEU 3 -0.676 26.920 2.247
21 HD21 LEU 813 HD21 LEU 3 1.535 28.209 4.988
22 HD22 LEU 813 HD22 LEU 3 2.590 27.704 3.646
23 HD23 LEU 813 HD23 LEU 3 2.483 26.715 5.112
24 H GLY 814 H GLY 4 -3.277 25.431 6.130
25 HA2 GLY 814 HA2 GLY 4 -2.568 23.380 8.157
26 HA3 GLY 814 HA3 GLY 4 -3.787 24.640 8.297
27 H SER 815 H SER 5 -4.278 23.120 5.317
28 HA SER 815 HA SER 5 -6.174 21.114 6.330
29 HB2 SER 815 HB2 SER 5 -8.012 22.117 5.074
30 HB3 SER 815 HB3 SER 5 -7.437 23.154 6.395
31 HG SER 815 HG SER 5 -7.776 24.338 4.456
32 H VAL 816 H VAL 6 -3.684 21.100 4.666
33 HA VAL 816 HA VAL 6 -4.134 20.757 1.925
34 HB VAL 816 HB VAL 6 -2.075 19.506 3.807
35 HG11 VAL 816 HG11 VAL 6 -1.998 18.461 1.695
36 HG12 VAL 816 HG12 VAL 6 -0.594 19.529 1.890
37 HG13 VAL 816 HG13 VAL 6 -1.958 20.048 0.862
38 HG21 VAL 816 HG21 VAL 6 -1.821 22.107 2.230
39 HG22 VAL 816 HG22 VAL 6 -0.667 21.391 3.390
40 HG23 VAL 816 HG23 VAL 6 -2.171 22.043 3.969
41 H GLN 817 H GLN 7 -5.031 19.229 0.745
42 HA GLN 817 HA GLN 7 -5.749 16.628 1.989
43 HB2 GLN 817 HB2 GLN 7 -7.210 16.423 0.011
44 HB3 GLN 817 HB3 GLN 7 -7.588 17.772 1.076
45 HG2 GLN 817 HG2 GLN 7 -7.559 19.217 -0.593
46 HG3 GLN 817 HG3 GLN 7 -5.891 18.846 -0.951
47 HE21 GLN 817 HE21 GLN 7 -5.480 16.901 -2.320
48 HE22 GLN 817 HE22 GLN 7 -6.612 16.612 -3.655
49 H HIS 818 H HIS 8 -4.526 14.850 1.616
50 HA HIS 818 HA HIS 8 -2.924 14.754 -0.913
51 HB2 HIS 818 HB2 HIS 8 -2.214 14.167 1.891
52 HB3 HIS 818 HB3 HIS 8 -1.698 12.969 0.704
53 HD2 HIS 818 HD2 HIS 8 -0.819 16.419 1.872
54 HE1 HIS 818 HE1 HIS 8 1.029 16.097 -1.947
55 HE2 HIS 818 HE2 HIS 8 0.787 17.558 0.097
56 H VAL 819 H VAL 9 -4.999 14.215 -1.807
57 HA VAL 819 HA VAL 9 -6.146 11.617 -1.759
58 HB VAL 819 HB VAL 9 -5.868 13.640 -3.986
59 HG11 VAL 819 HG11 VAL 9 -6.278 11.422 -4.985
60 HG12 VAL 819 HG12 VAL 9 -7.739 12.415 -5.044
61 HG13 VAL 819 HG13 VAL 9 -7.599 11.131 -3.820
62 HG21 VAL 819 HG21 VAL 9 -8.259 14.056 -3.392
63 HG22 VAL 819 HG22 VAL 9 -7.216 14.362 -2.003
64 HG23 VAL 819 HG23 VAL 9 -8.144 12.854 -2.091
65 H GLY 820 H GLY 10 -5.275 9.729 -2.043
66 HA2 GLY 820 HA2 GLY 10 -3.978 8.115 -3.252
67 HA3 GLY 820 HA3 GLY 10 -2.848 9.377 -3.724
68 H PHE 821 H PHE 11 -3.197 10.087 -0.510
69 HA PHE 821 HA PHE 11 -1.127 8.079 0.352
70 HB2 PHE 821 HB2 PHE 11 -1.190 10.974 1.161
71 HB3 PHE 821 HB3 PHE 11 0.040 9.769 1.489
72 HD1 PHE 821 HD1 PHE 11 -1.580 11.605 -1.377
73 HD2 PHE 821 HD2 PHE 11 2.016 9.999 0.352
74 HE1 PHE 821 HE1 PHE 11 -0.257 12.716 -3.135
75 HE2 PHE 821 HE2 PHE 11 3.341 10.997 -1.523
76 HZ PHE 821 HZ PHE 11 2.203 12.439 -3.194
77 H LYS 822 H LYS 12 -2.521 6.807 1.439
78 HA LYS 822 HA LYS 12 -4.272 7.813 3.645
79 HB2 LYS 822 HB2 LYS 12 -5.345 6.244 2.470
80 HB3 LYS 822 HB3 LYS 12 -3.986 5.407 1.955
81 HG2 LYS 822 HG2 LYS 12 -4.711 5.180 4.922
82 HG3 LYS 822 HG3 LYS 12 -5.775 4.480 3.740
83 HD2 LYS 822 HD2 LYS 12 -3.884 3.234 2.688
84 HD3 LYS 822 HD3 LYS 12 -2.780 4.031 3.821
85 HE2 LYS 822 HE2 LYS 12 -3.094 1.792 4.447
86 HE3 LYS 822 HE3 LYS 12 -3.703 2.894 5.691
87 HZ1 LYS 822 HZ1 LYS 12 -5.994 2.392 4.925
88 HZ2 LYS 822 HZ2 LYS 12 -5.240 0.986 5.274
89 HZ3 LYS 822 HZ3 LYS 12 -5.431 1.433 3.720
90 H CYS 823 H CYS 13 -3.744 7.521 5.783
91 HA CYS 823 HA CYS 13 -1.010 7.436 6.607
92 HB2 CYS 823 HB2 CYS 13 -2.811 8.724 7.676
93 HB3 CYS 823 HB3 CYS 13 -3.624 7.209 8.062
94 H ASP 824 H ASP 14 0.046 6.033 7.872
95 HA ASP 824 HA ASP 14 -0.592 3.111 7.697
96 HB2 ASP 824 HB2 ASP 14 1.911 4.670 8.429
97 HB3 ASP 824 HB3 ASP 14 1.745 2.942 8.693
98 H ASN 825 H ASN 15 -0.187 5.696 10.073
99 HA ASN 825 HA ASN 15 -0.017 4.000 12.388
100 HB2 ASN 825 HB2 ASN 15 0.716 6.364 12.277
101 HB3 ASN 825 HB3 ASN 15 -0.978 6.879 12.153
102 HD21 ASN 825 HD21 ASN 15 -1.222 7.958 14.090
103 HD22 ASN 825 HD22 ASN 15 -0.981 7.159 15.656
104 H CYS 826 H CYS 16 -2.822 5.906 11.151
105 HA CYS 826 HA CYS 16 -4.613 4.216 12.798
106 HB2 CYS 826 HB2 CYS 16 -5.947 6.058 13.169
107 HB3 CYS 826 HB3 CYS 16 -4.305 6.672 13.354
108 H GLY 827 H GLY 17 -3.838 4.797 9.487
109 HA2 GLY 827 HA2 GLY 17 -4.495 3.442 7.782
110 HA3 GLY 827 HA3 GLY 17 -5.860 2.864 8.708
111 H ILE 828 H ILE 18 -5.852 6.220 8.928
112 HA ILE 828 HA ILE 18 -8.211 6.528 7.476
113 HB ILE 828 HB ILE 18 -7.585 7.993 9.304
114 HG12 ILE 828 HG12 ILE 18 -7.833 9.653 6.771
115 HG13 ILE 828 HG13 ILE 18 -9.166 8.756 7.448
116 HG21 ILE 828 HG21 ILE 18 -5.933 9.752 9.073
117 HG22 ILE 828 HG22 ILE 18 -5.489 9.226 7.436
118 HG23 ILE 828 HG23 ILE 18 -5.137 8.219 8.833
119 HD11 ILE 828 HD11 ILE 18 -9.375 11.028 8.152
120 HD12 ILE 828 HD12 ILE 18 -7.722 11.062 8.787
121 HD13 ILE 828 HD13 ILE 18 -8.958 10.047 9.572
122 H GLU 829 H GLU 19 -8.738 7.261 5.565
123 HA GLU 829 HA GLU 19 -7.113 6.777 3.293
124 HB2 GLU 829 HB2 GLU 19 -9.543 8.488 3.448
125 HB3 GLU 829 HB3 GLU 19 -9.012 7.576 2.068
126 HG2 GLU 829 HG2 GLU 19 -10.588 6.111 2.576
127 HG3 GLU 829 HG3 GLU 19 -9.430 5.484 3.732
128 HA PRO 830 HA PRO 20 -4.858 10.258 1.695
129 HB2 PRO 830 HB2 PRO 20 -7.636 11.369 1.223
130 HB3 PRO 830 HB3 PRO 20 -6.153 11.472 0.235
131 HG2 PRO 830 HG2 PRO 20 -8.177 9.491 0.186
132 HG3 PRO 830 HG3 PRO 20 -6.669 9.459 -0.776
133 HD2 PRO 830 HD2 PRO 20 -7.126 7.607 1.175
134 HD3 PRO 830 HD3 PRO 20 -5.507 8.222 0.790
135 H ILE 831 H ILE 21 -3.820 10.924 3.450
136 HA ILE 831 HA ILE 21 -4.740 12.098 5.753
137 HB ILE 831 HB ILE 21 -2.108 12.452 4.282
138 HG12 ILE 831 HG12 ILE 21 -2.655 10.786 6.778
139 HG13 ILE 831 HG13 ILE 21 -2.969 10.134 5.202
140 HG21 ILE 831 HG21 ILE 21 -2.208 14.358 5.793
141 HG22 ILE 831 HG22 ILE 21 -1.140 13.170 6.521
142 HG23 ILE 831 HG23 ILE 21 -2.796 13.331 7.118
143 HD11 ILE 831 HD11 ILE 21 -0.743 9.494 5.975
144 HD12 ILE 831 HD12 ILE 21 -0.255 11.190 6.050
145 HD13 ILE 831 HD13 ILE 21 -0.671 10.457 4.486
146 H GLN 832 H GLN 22 -5.214 13.993 6.592
147 HA GLN 832 HA GLN 22 -5.536 16.292 4.713
148 HB2 GLN 832 HB2 GLN 22 -7.206 15.587 7.142
149 HB3 GLN 832 HB3 GLN 22 -7.445 16.952 6.047
150 HG2 GLN 832 HG2 GLN 22 -7.636 14.030 5.194
151 HG3 GLN 832 HG3 GLN 22 -8.993 15.022 5.665
152 HE21 GLN 832 HE21 GLN 22 -7.653 13.829 2.947
153 HE22 GLN 832 HE22 GLN 22 -8.203 15.105 1.854
154 H GLY 833 H GLY 23 -4.796 18.229 5.242
155 HA2 GLY 833 HA2 GLY 23 -4.408 19.995 6.914
156 HA3 GLY 833 HA3 GLY 23 -3.750 18.812 7.974
157 H VAL 834 H VAL 24 -1.918 17.521 7.056
158 HA VAL 834 HA VAL 24 0.010 18.807 5.305
159 HB VAL 834 HB VAL 24 0.151 19.898 7.554
160 HG11 VAL 834 HG11 VAL 24 1.015 18.781 9.481
161 HG12 VAL 834 HG12 VAL 24 1.132 17.245 8.595
162 HG13 VAL 834 HG13 VAL 24 -0.464 17.972 8.935
163 HG21 VAL 834 HG21 VAL 24 2.178 19.879 6.203
164 HG22 VAL 834 HG22 VAL 24 2.606 18.253 6.801
165 HG23 VAL 834 HG23 VAL 24 2.609 19.648 7.889
166 H ARG 835 H ARG 25 1.328 17.112 4.407
167 HA ARG 835 HA ARG 25 0.686 14.357 5.396
168 HB2 ARG 835 HB2 ARG 25 0.889 14.958 2.876
169 HB3 ARG 835 HB3 ARG 25 2.637 14.912 3.142
170 HG2 ARG 835 HG2 ARG 25 2.419 12.558 3.979
171 HG3 ARG 835 HG3 ARG 25 0.665 12.676 3.784
172 HD2 ARG 835 HD2 ARG 25 1.387 11.482 1.970
173 HD3 ARG 835 HD3 ARG 25 1.076 13.073 1.298
174 HE ARG 835 HE ARG 25 3.719 11.759 1.848
175 HH11 ARG 835 HH11 ARG 25 1.986 14.190 -0.004
176 HH12 ARG 835 HH12 ARG 25 3.382 14.591 -0.956
177 HH21 ARG 835 HH21 ARG 25 5.459 12.249 0.434
178 HH22 ARG 835 HH22 ARG 25 5.265 13.543 -0.698
179 H TRP 836 H TRP 26 2.399 12.902 5.981
180 HA TRP 836 HA TRP 26 4.942 14.210 6.835
181 HB2 TRP 836 HB2 TRP 26 3.281 12.417 8.613
182 HB3 TRP 836 HB3 TRP 26 4.966 12.683 8.813
183 HD1 TRP 836 HD1 TRP 26 1.748 14.633 9.291
184 HE1 TRP 836 HE1 TRP 26 2.318 16.748 10.713
185 HE3 TRP 836 HE3 TRP 26 6.801 14.612 8.831
186 HZ2 TRP 836 HZ2 TRP 26 4.673 17.960 11.812
187 HZ3 TRP 836 HZ3 TRP 26 8.225 16.116 10.161
188 HH2 TRP 836 HH2 TRP 26 7.178 17.794 11.696
189 H HIS 837 H HIS 27 6.018 13.464 5.184
190 HA HIS 837 HA HIS 27 5.765 10.668 4.174
191 HB2 HIS 837 HB2 HIS 27 5.713 12.587 2.636
192 HB3 HIS 837 HB3 HIS 27 7.213 13.203 3.272
193 HD2 HIS 837 HD2 HIS 27 9.501 11.958 2.610
194 HE1 HIS 837 HE1 HIS 27 7.886 9.871 -0.735
195 HE2 HIS 837 HE2 HIS 27 10.027 10.578 0.422
196 H CYS 838 H CYS 28 6.944 9.142 5.130
197 HA CYS 838 HA CYS 28 9.112 9.590 6.845
198 HB2 CYS 838 HB2 CYS 28 7.955 7.249 5.371
199 HB3 CYS 838 HB3 CYS 28 9.569 7.107 6.082
200 H GLN 839 H GLN 29 11.249 9.908 6.652
201 HA GLN 839 HA GLN 29 12.324 10.474 4.013
202 HB2 GLN 839 HB2 GLN 29 13.626 10.489 6.751
203 HB3 GLN 839 HB3 GLN 29 14.416 11.052 5.298
204 HG2 GLN 839 HG2 GLN 29 11.802 12.291 6.262
205 HG3 GLN 839 HG3 GLN 29 13.374 12.813 6.832
206 HE21 GLN 839 HE21 GLN 29 13.266 14.923 5.968
207 HE22 GLN 839 HE22 GLN 29 13.111 15.222 4.242
208 H ASP 840 H ASP 30 12.863 7.929 6.457
209 HA ASP 840 HA ASP 30 15.094 6.805 4.861
210 HB2 ASP 840 HB2 ASP 30 15.326 7.237 7.263
211 HB3 ASP 840 HB3 ASP 30 14.010 6.112 7.597
212 H CYS 841 H CYS 31 11.777 5.891 5.856
213 HA CYS 841 HA CYS 31 11.958 3.188 5.067
214 HB2 CYS 841 HB2 CYS 31 9.483 4.933 5.142
215 HB3 CYS 841 HB3 CYS 31 9.528 3.189 5.063
216 HA PRO 842 HA PRO 32 12.544 3.733 0.798
217 HB2 PRO 842 HB2 PRO 32 12.237 1.220 -0.223
218 HB3 PRO 842 HB3 PRO 32 13.510 1.632 0.968
219 HG2 PRO 842 HG2 PRO 32 10.782 0.410 1.503
220 HG3 PRO 842 HG3 PRO 32 12.380 -0.167 2.073
221 HD2 PRO 842 HD2 PRO 32 10.752 1.418 3.609
222 HD3 PRO 842 HD3 PRO 32 12.527 1.535 3.691
223 HA PRO 843 HA PRO 33 8.906 4.635 -1.571
224 HB2 PRO 843 HB2 PRO 33 10.303 3.234 -3.870
225 HB3 PRO 843 HB3 PRO 33 9.423 4.793 -3.866
226 HG2 PRO 843 HG2 PRO 33 12.117 4.794 -3.737
227 HG3 PRO 843 HG3 PRO 33 11.196 5.857 -2.617
228 HD2 PRO 843 HD2 PRO 33 12.412 3.139 -2.058
229 HD3 PRO 843 HD3 PRO 33 12.470 4.639 -1.082
230 H GLU 844 H GLU 34 10.081 1.290 -1.930
231 HA GLU 844 HA GLU 34 7.734 0.066 -2.922
232 HB2 GLU 844 HB2 GLU 34 9.971 -0.944 -2.818
233 HB3 GLU 844 HB3 GLU 34 9.871 -1.038 -1.050
234 HG2 GLU 844 HG2 GLU 34 7.991 -2.607 -1.205
235 HG3 GLU 844 HG3 GLU 34 7.957 -2.447 -2.959
236 H MET 845 H MET 35 8.536 1.050 0.356
237 HA MET 845 HA MET 35 6.067 -0.162 1.500
238 HB2 MET 845 HB2 MET 35 8.415 1.249 2.816
239 HB3 MET 845 HB3 MET 35 7.021 0.567 3.661
240 HG2 MET 845 HG2 MET 35 8.951 -1.031 1.945
241 HG3 MET 845 HG3 MET 35 9.024 -0.906 3.691
242 HE1 MET 845 HE1 MET 35 6.032 -3.005 4.967
243 HE2 MET 845 HE2 MET 35 6.105 -1.239 4.820
244 HE3 MET 845 HE3 MET 35 7.533 -2.151 5.383
245 H SER 846 H SER 36 7.623 3.028 1.106
246 HA SER 846 HA SER 36 6.938 5.168 1.404
247 HB2 SER 846 HB2 SER 36 4.718 3.919 -0.234
248 HB3 SER 846 HB3 SER 36 4.785 5.652 0.122
249 HG SER 846 HG SER 36 6.553 4.107 -1.418
250 H LEU 847 H LEU 37 6.772 5.219 3.693
251 HA LEU 847 HA LEU 37 4.106 4.813 4.860
252 HB2 LEU 847 HB2 LEU 37 6.868 4.983 6.043
253 HB3 LEU 847 HB3 LEU 37 5.489 5.289 7.056
254 HG LEU 847 HG LEU 37 4.750 2.948 5.578
255 HD11 LEU 847 HD11 LEU 37 7.646 2.746 6.298
256 HD12 LEU 847 HD12 LEU 37 6.940 2.756 4.665
257 HD13 LEU 847 HD13 LEU 37 6.590 1.410 5.784
258 HD21 LEU 847 HD21 LEU 37 4.720 3.493 8.211
259 HD22 LEU 847 HD22 LEU 37 5.987 2.238 8.091
260 HD23 LEU 847 HD23 LEU 37 4.394 1.925 7.460
261 H ASP 848 H ASP 38 2.915 6.246 6.036
262 HA ASP 848 HA ASP 38 3.611 9.090 5.873
263 HB2 ASP 848 HB2 ASP 38 1.030 8.085 4.678
264 HB3 ASP 848 HB3 ASP 38 1.580 9.750 4.803
265 H PHE 849 H PHE 39 2.503 10.417 7.287
266 HA PHE 849 HA PHE 39 0.479 9.178 9.077
267 HB2 PHE 849 HB2 PHE 39 2.801 10.814 10.204
268 HB3 PHE 849 HB3 PHE 39 1.532 9.974 11.017
269 HD1 PHE 849 HD1 PHE 39 4.401 9.111 8.602
270 HD2 PHE 849 HD2 PHE 39 2.025 8.015 12.041
271 HE1 PHE 849 HE1 PHE 39 5.516 6.991 8.710
272 HE2 PHE 849 HE2 PHE 39 3.204 5.842 12.146
273 HZ PHE 849 HZ PHE 39 4.918 5.262 10.432
274 H CYS 850 H CYS 40 -1.067 10.508 9.972
275 HA CYS 850 HA CYS 40 -1.593 13.073 8.924
276 HB2 CYS 850 HB2 CYS 40 -2.487 11.794 11.544
277 HB3 CYS 850 HB3 CYS 40 -3.325 13.096 10.694
278 H ASP 851 H ASP 41 -1.999 15.010 10.400
279 HA ASP 851 HA ASP 41 0.374 16.144 11.357
280 HB2 ASP 851 HB2 ASP 41 -0.932 17.977 11.981
281 HB3 ASP 851 HB3 ASP 41 -1.738 17.301 10.583
282 H SER 852 H SER 42 -2.016 14.278 13.131
283 HA SER 852 HA SER 42 -0.695 14.652 15.726
284 HB2 SER 852 HB2 SER 42 -3.153 14.582 15.585
285 HB3 SER 852 HB3 SER 42 -3.060 12.941 14.906
286 HG SER 852 HG SER 42 -3.449 12.968 17.201
287 H CYS 853 H CYS 43 -1.093 12.088 13.254
288 HA CYS 853 HA CYS 43 -0.163 9.934 14.839
289 HB2 CYS 853 HB2 CYS 43 -0.570 10.453 11.903
290 HB3 CYS 853 HB3 CYS 43 -0.068 8.892 12.533
291 H SER 854 H SER 44 1.429 12.273 12.771
292 HA SER 854 HA SER 44 3.956 11.006 12.336
293 HB2 SER 854 HB2 SER 44 4.670 13.258 11.774
294 HB3 SER 854 HB3 SER 44 3.023 13.012 11.189
295 HG SER 854 HG SER 44 3.250 15.019 12.290
296 H ASP 855 H ASP 45 2.578 12.417 15.181
297 HA ASP 855 HA ASP 45 5.152 12.469 16.619
298 HB2 ASP 855 HB2 ASP 45 3.514 14.410 16.760
299 HB3 ASP 855 HB3 ASP 45 2.415 13.324 17.614
300 H CYS 856 H CYS 46 2.709 10.276 15.887
301 HA CYS 856 HA CYS 46 2.462 9.029 18.498
302 HB2 CYS 856 HB2 CYS 46 0.675 9.179 16.640
303 HB3 CYS 856 HB3 CYS 46 1.587 7.902 15.819
304 HG CYS 856 HG CYS 46 0.186 7.899 18.840
305 H LEU 857 H LEU 47 4.515 8.643 15.742
306 HA LEU 857 HA LEU 47 6.337 7.443 15.300
307 HB2 LEU 857 HB2 LEU 47 6.880 8.825 17.288
308 HB3 LEU 857 HB3 LEU 47 6.612 7.433 18.326
309 HG LEU 857 HG LEU 47 8.518 6.260 17.411
310 HD11 LEU 857 HD11 LEU 47 8.573 8.491 15.337
311 HD12 LEU 857 HD12 LEU 47 8.467 6.726 15.066
312 HD13 LEU 857 HD13 LEU 47 9.969 7.460 15.656
313 HD21 LEU 857 HD21 LEU 47 10.317 7.833 18.001
314 HD22 LEU 857 HD22 LEU 47 8.946 8.025 19.099
315 HD23 LEU 857 HD23 LEU 47 9.207 9.205 17.793
316 H HIS 858 H HIS 48 5.133 5.752 14.390
317 HA HIS 858 HA HIS 48 5.017 3.189 15.893
318 HB2 HIS 858 HB2 HIS 48 2.901 4.080 14.866
319 HB3 HIS 858 HB3 HIS 48 3.666 3.983 13.283
320 HD2 HIS 858 HD2 HIS 48 2.849 1.932 11.987
321 HE1 HIS 858 HE1 HIS 48 2.492 -0.886 15.169
322 HE2 HIS 858 HE2 HIS 48 2.225 -0.539 12.661
323 H GLU 859 H GLU 49 5.582 1.208 14.582
324 HA GLU 859 HA GLU 49 7.715 1.661 12.609
325 HB2 GLU 859 HB2 GLU 49 8.147 -0.127 15.045
326 HB3 GLU 859 HB3 GLU 49 9.323 0.324 13.851
327 HG2 GLU 859 HG2 GLU 49 9.207 2.700 14.657
328 HG3 GLU 859 HG3 GLU 49 8.055 2.177 15.878
329 H THR 860 H THR 50 8.322 -0.205 11.338
330 HA THR 860 HA THR 50 6.418 -2.520 11.599
331 HB THR 860 HB THR 50 5.922 -2.601 9.343
332 HG1 THR 860 HG1 THR 50 6.923 -1.281 7.801
333 HG21 THR 860 HG21 THR 50 4.886 -0.466 8.757
334 HG22 THR 860 HG22 THR 50 5.815 0.391 10.002
335 HG23 THR 860 HG23 THR 50 4.636 -0.820 10.483
336 H ASP 861 H ASP 51 7.641 -3.753 9.237
337 HA ASP 861 HA ASP 51 9.887 -5.124 10.481
338 HB2 ASP 861 HB2 ASP 51 8.633 -5.338 7.780
339 HB3 ASP 861 HB3 ASP 51 9.916 -6.381 8.370
340 H ILE 862 H ILE 52 9.375 -2.543 8.236
341 HA ILE 862 HA ILE 52 12.274 -2.275 7.741
342 HB ILE 862 HB ILE 52 9.925 -1.525 6.026
343 HG12 ILE 862 HG12 ILE 52 12.364 -3.368 5.833
344 HG13 ILE 862 HG13 ILE 52 10.684 -3.873 5.984
345 HG21 ILE 862 HG21 ILE 52 11.351 0.400 5.961
346 HG22 ILE 862 HG22 ILE 52 11.781 -0.566 4.541
347 HG23 ILE 862 HG23 ILE 52 12.816 -0.604 5.987
348 HD11 ILE 862 HD11 ILE 52 10.184 -2.877 3.803
349 HD12 ILE 862 HD12 ILE 52 11.358 -4.210 3.745
350 HD13 ILE 862 HD13 ILE 52 11.933 -2.538 3.593
351 H HIS 863 H HIS 53 9.241 -0.566 8.595
352 HA HIS 863 HA HIS 53 10.576 1.989 8.841
353 HB2 HIS 863 HB2 HIS 53 8.355 2.181 8.285
354 HB3 HIS 863 HB3 HIS 53 7.809 0.896 9.237
355 HD1 HIS 863 HD1 HIS 53 9.532 3.124 11.739
356 HD2 HIS 863 HD2 HIS 53 6.295 3.489 10.706
357 HE1 HIS 863 HE1 HIS 53 9.208 5.504 11.188
358 H LYS 864 H LYS 54 11.637 2.750 10.504
359 HA LYS 864 HA LYS 54 10.964 1.699 13.208
360 HB2 LYS 864 HB2 LYS 54 13.782 2.120 12.144
361 HB3 LYS 864 HB3 LYS 54 13.300 1.631 13.746
362 HG2 LYS 864 HG2 LYS 54 12.743 -0.040 11.198
363 HG3 LYS 864 HG3 LYS 54 14.103 -0.272 12.226
364 HD2 LYS 864 HD2 LYS 54 12.641 -0.912 14.134
365 HD3 LYS 864 HD3 LYS 54 11.247 -0.630 13.178
366 HE2 LYS 864 HE2 LYS 54 11.494 -2.902 12.957
367 HE3 LYS 864 HE3 LYS 54 12.144 -2.292 11.448
368 HZ1 LYS 864 HZ1 LYS 54 14.406 -2.587 12.390
369 HZ2 LYS 864 HZ2 LYS 54 13.596 -4.000 12.439
370 HZ3 LYS 864 HZ3 LYS 54 13.783 -3.131 13.806
371 H GLU 865 H GLU 55 11.649 3.049 15.007
372 HA GLU 865 HA GLU 55 11.171 5.845 14.544
373 HB2 GLU 865 HB2 GLU 55 11.334 6.059 16.912
374 HB3 GLU 865 HB3 GLU 55 10.424 4.607 16.535
375 HG2 GLU 865 HG2 GLU 55 12.573 3.296 16.977
376 HG3 GLU 865 HG3 GLU 55 13.340 4.802 17.453
377 H ASP 866 H ASP 56 13.891 4.232 13.815
378 HA ASP 866 HA ASP 56 16.039 5.728 14.943
379 HB2 ASP 866 HB2 ASP 56 15.782 3.982 12.535
380 HB3 ASP 866 HB3 ASP 56 17.307 4.650 13.069
381 H HIS 867 H HIS 57 13.754 6.475 12.443
382 HA HIS 867 HA HIS 57 15.645 8.098 10.895
383 HB2 HIS 867 HB2 HIS 57 14.091 7.938 9.190
384 HB3 HIS 867 HB3 HIS 57 14.419 6.360 9.848
385 HD1 HIS 867 HD1 HIS 57 11.587 8.834 11.028
386 HD2 HIS 867 HD2 HIS 57 12.378 5.148 9.215
387 HE1 HIS 867 HE1 HIS 57 9.359 8.027 10.109
388 H GLN 868 H GLN 58 13.670 9.620 9.675
389 HA GLN 868 HA GLN 58 12.424 11.465 11.556
390 HB2 GLN 868 HB2 GLN 58 13.442 13.463 10.407
391 HB3 GLN 868 HB3 GLN 58 14.493 12.585 11.498
392 HG2 GLN 868 HG2 GLN 58 14.580 11.994 8.516
393 HG3 GLN 868 HG3 GLN 58 15.391 13.407 9.173
394 HE21 GLN 868 HE21 GLN 58 16.997 12.933 11.050
395 HE22 GLN 868 HE22 GLN 58 17.892 11.427 10.866
396 H LEU 869 H LEU 59 10.866 12.899 10.526
397 HA LEU 869 HA LEU 59 9.751 11.835 7.958
398 HB2 LEU 869 HB2 LEU 59 8.386 13.396 10.184
399 HB3 LEU 869 HB3 LEU 59 7.643 12.676 8.753
400 HG LEU 869 HG LEU 59 6.989 11.523 10.663
401 HD11 LEU 869 HD11 LEU 59 7.475 9.243 9.974
402 HD12 LEU 869 HD12 LEU 59 8.898 9.821 9.061
403 HD13 LEU 869 HD13 LEU 59 7.251 10.275 8.568
404 HD21 LEU 869 HD21 LEU 59 9.794 10.591 11.282
405 HD22 LEU 869 HD22 LEU 59 8.302 10.238 12.152
406 HD23 LEU 869 HD23 LEU 59 8.942 11.889 12.160
407 H GLU 870 H GLU 60 8.907 13.199 6.413
408 HA GLU 870 HA GLU 60 9.860 16.027 6.451
409 HB2 GLU 870 HB2 GLU 60 10.522 14.405 4.625
410 HB3 GLU 870 HB3 GLU 60 8.843 14.338 4.162
411 HG2 GLU 870 HG2 GLU 60 9.738 15.852 2.708
412 HG3 GLU 870 HG3 GLU 60 8.964 16.905 3.890
413 HA PRO 871 HA PRO 61 5.370 16.900 6.919
414 HB2 PRO 871 HB2 PRO 61 5.506 19.541 7.536
415 HB3 PRO 871 HB3 PRO 61 5.854 18.256 8.718
416 HG2 PRO 871 HG2 PRO 61 7.823 19.903 7.129
417 HG3 PRO 871 HG3 PRO 61 7.899 19.438 8.855
418 HD2 PRO 871 HD2 PRO 61 9.241 18.129 6.817
419 HD3 PRO 871 HD3 PRO 61 8.753 17.326 8.329
420 H ILE 872 H ILE 62 3.925 17.625 5.289
421 HA ILE 872 HA ILE 62 5.092 19.249 3.065
422 HB ILE 872 HB ILE 62 3.062 17.100 2.621
423 HG12 ILE 872 HG12 ILE 62 5.035 15.904 3.582
424 HG13 ILE 872 HG13 ILE 62 4.655 15.452 1.948
425 HG21 ILE 872 HG21 ILE 62 5.054 18.481 0.763
426 HG22 ILE 872 HG22 ILE 62 3.356 18.885 0.923
427 HG23 ILE 872 HG23 ILE 62 3.816 17.300 0.281
428 HD11 ILE 872 HD11 ILE 62 7.095 15.703 2.398
429 HD12 ILE 872 HD12 ILE 62 6.834 17.452 2.610
430 HD13 ILE 872 HD13 ILE 62 6.516 16.688 1.042
431 H TYR 873 H TYR 63 4.147 21.059 3.025
432 HA TYR 873 HA TYR 63 1.547 21.506 4.295
433 HB2 TYR 873 HB2 TYR 63 3.792 23.402 3.524
434 HB3 TYR 873 HB3 TYR 63 2.285 23.887 4.277
435 HD1 TYR 873 HD1 TYR 63 5.613 22.651 4.921
436 HD2 TYR 873 HD2 TYR 63 1.618 22.897 6.535
437 HE1 TYR 873 HE1 TYR 63 6.508 22.237 7.209
438 HE2 TYR 873 HE2 TYR 63 2.512 22.472 8.815
439 HH TYR 873 HH TYR 63 6.020 22.132 9.467
440 H ARG 874 H ARG 64 2.076 20.477 1.479
441 HA ARG 874 HA ARG 64 0.026 22.022 0.089
442 HB2 ARG 874 HB2 ARG 64 1.448 22.422 -1.895
443 HB3 ARG 874 HB3 ARG 64 1.929 23.339 -0.461
444 HG2 ARG 874 HG2 ARG 64 3.838 21.869 -0.073
445 HG3 ARG 874 HG3 ARG 64 3.312 20.778 -1.372
446 HD2 ARG 874 HD2 ARG 64 3.558 22.578 -3.010
447 HD3 ARG 874 HD3 ARG 64 4.063 23.695 -1.719
448 HE ARG 874 HE ARG 64 5.769 21.394 -1.704
449 HH11 ARG 874 HH11 ARG 64 5.220 24.219 -3.707
450 HH12 ARG 874 HH12 ARG 64 6.858 24.226 -4.305
451 HH21 ARG 874 HH21 ARG 64 7.836 21.458 -2.512
452 HH22 ARG 874 HH22 ARG 64 8.296 22.693 -3.650
453 H1 ALA 1 H1 ALA 65 0.220 5.608 3.600
454 H2 ALA 1 H2 ALA 65 1.728 5.893 3.017
455 H3 ALA 1 H3 ALA 65 1.510 4.765 4.188
456 HA ALA 1 HA ALA 65 1.871 3.772 2.003
457 HB1 ALA 1 HB1 ALA 65 0.630 2.505 3.716
458 HB2 ALA 1 HB2 ALA 65 0.002 2.182 2.097
459 HB3 ALA 1 HB3 ALA 65 -0.891 3.268 3.184
460 H ARG 2 H ARG 66 0.895 3.315 -0.154
461 HA ARG 2 HA ARG 66 -0.451 5.827 -1.091
462 HB2 ARG 2 HB2 ARG 66 1.459 4.080 -2.671
463 HB3 ARG 2 HB3 ARG 66 0.806 5.653 -3.130
464 HG2 ARG 2 HG2 ARG 66 2.733 5.063 -0.853
465 HG3 ARG 2 HG3 ARG 66 3.107 5.885 -2.364
466 HD2 ARG 2 HD2 ARG 66 1.746 7.822 -1.703
467 HD3 ARG 2 HD3 ARG 66 1.118 6.951 -0.303
468 HE ARG 2 HE ARG 66 2.924 7.423 0.934
469 HH11 ARG 2 HH11 ARG 66 4.097 8.030 -2.332
470 HH12 ARG 2 HH12 ARG 66 5.480 8.890 -1.733
471 HH21 ARG 2 HH21 ARG 66 4.384 8.760 1.566
472 HH22 ARG 2 HH22 ARG 66 5.687 9.263 0.522
473 H THR 3 H THR 67 -2.251 5.838 -1.900
474 HA THR 3 HA THR 67 -3.424 3.559 -3.438
475 HB THR 3 HB THR 67 -5.603 4.636 -2.902
476 HG1 THR 3 HG1 THR 67 -5.635 6.312 -1.428
477 HG21 THR 3 HG21 THR 67 -5.752 4.022 -0.549
478 HG22 THR 3 HG22 THR 67 -3.988 4.111 -0.358
479 HG23 THR 3 HG23 THR 67 -4.717 2.850 -1.383
480 HH31 ALY 4 H26 ALY 68 2.590 11.300 -10.498
481 HH32 ALY 4 H27 ALY 68 1.026 12.145 -10.479
482 HH33 ALY 4 H28 ALY 68 1.080 10.376 -10.323
483 HZ ALY 4 HZ1 ALY 68 -0.332 11.380 -8.471
484 HE3 ALY 4 HE3 ALY 68 1.195 12.147 -6.057
485 HE2 ALY 4 HE2 ALY 68 -0.562 12.113 -6.239
486 HD3 ALY 4 HD3 ALY 68 1.235 9.646 -6.041
487 HD2 ALY 4 HD2 ALY 68 0.310 10.352 -4.713
488 HG3 ALY 4 HG3 ALY 68 -1.806 9.952 -6.011
489 HG2 ALY 4 HG2 ALY 68 -0.846 9.130 -7.259
490 HB3 ALY 4 HB3 ALY 68 -0.077 7.476 -5.571
491 HB2 ALY 4 HB2 ALY 68 -0.963 8.340 -4.314
492 HCA ALY 4 HA ALY 68 -3.096 7.889 -5.697
493 H ALY 4 H ALY 68 -1.634 6.171 -3.959
494 H GLN 5 H GLN 69 -0.870 5.203 -6.366
495 HA GLN 5 HA GLN 69 -0.801 5.416 -9.212
496 HB2 GLN 5 HB2 GLN 69 0.338 3.340 -9.167
497 HB3 GLN 5 HB3 GLN 69 0.914 4.280 -7.807
498 HG2 GLN 5 HG2 GLN 69 -1.115 1.995 -7.621
499 HG3 GLN 5 HG3 GLN 69 0.610 1.829 -7.371
500 HE21 GLN 5 HE21 GLN 69 -1.028 0.949 -5.339
501 HE22 GLN 5 HE22 GLN 69 -0.901 2.087 -3.994
502 H THR 6 H THR 70 -1.718 4.064 -10.836
503 HA THR 6 HA THR 70 -4.549 3.550 -10.510
504 HB THR 6 HB THR 70 -4.413 2.756 -12.859
505 HG1 THR 6 HG1 THR 70 -2.407 2.815 -13.893
506 HG21 THR 6 HG21 THR 70 -4.622 5.192 -12.378
507 HG22 THR 6 HG22 THR 70 -3.752 4.859 -13.885
508 HG23 THR 6 HG23 THR 70 -2.855 5.347 -12.435
509 H ALA 7 H ALA 71 -1.707 1.476 -10.404
510 HA ALA 7 HA ALA 71 -1.364 -0.724 -10.097
511 HB1 ALA 7 HB1 ALA 71 -2.692 -1.831 -8.395
512 HB2 ALA 7 HB2 ALA 71 -4.003 -0.652 -8.593
513 HB3 ALA 7 HB3 ALA 71 -2.425 -0.137 -7.949
514 H ARG 8 H ARG 72 -2.611 -0.064 -12.613
515 HA ARG 8 HA ARG 72 -3.536 -2.750 -13.445
516 HB2 ARG 8 HB2 ARG 72 -5.055 -0.169 -14.022
517 HB3 ARG 8 HB3 ARG 72 -5.314 -1.675 -14.887
518 HG2 ARG 8 HG2 ARG 72 -5.806 -1.256 -11.908
519 HG3 ARG 8 HG3 ARG 72 -7.028 -1.273 -13.175
520 HD2 ARG 8 HD2 ARG 72 -6.478 -3.617 -13.723
521 HD3 ARG 8 HD3 ARG 72 -5.249 -3.650 -12.465
522 HE ARG 8 HE ARG 72 -8.164 -3.741 -12.138
523 HH11 ARG 8 HH11 ARG 72 -9.009 -4.261 -10.168
524 HH12 ARG 8 HH12 ARG 72 -8.007 -4.237 -8.748
525 HH21 ARG 8 HH21 ARG 72 -5.144 -3.267 -10.391
526 HH22 ARG 8 HH22 ARG 72 -5.869 -3.731 -8.872
Start of MODEL 12
1 H1 GLY 811 H1 GLY 1 -0.598 28.960 -5.560
2 H2 GLY 811 H2 GLY 1 0.472 28.589 -4.375
3 H3 GLY 811 H3 GLY 1 -0.906 29.396 -4.013
4 HA2 GLY 811 HA2 GLY 1 -2.266 27.487 -4.632
5 HA3 GLY 811 HA3 GLY 1 -0.768 26.616 -5.015
6 HA PRO 812 HA PRO 2 -2.128 25.571 -0.691
7 HB2 PRO 812 HB2 PRO 2 -1.054 22.921 -1.673
8 HB3 PRO 812 HB3 PRO 2 -2.466 23.237 -0.620
9 HG2 PRO 812 HG2 PRO 2 -2.857 22.691 -3.229
10 HG3 PRO 812 HG3 PRO 2 -3.753 24.052 -2.478
11 HD2 PRO 812 HD2 PRO 2 -1.206 24.161 -4.136
12 HD3 PRO 812 HD3 PRO 2 -2.700 25.137 -4.301
13 H LEU 813 H LEU 3 -0.936 25.153 1.172
14 HA LEU 813 HA LEU 3 1.880 24.299 1.003
15 HB2 LEU 813 HB2 LEU 3 1.880 26.782 0.767
16 HB3 LEU 813 HB3 LEU 3 1.232 26.935 2.387
17 HG LEU 813 HG LEU 3 3.844 25.469 1.771
18 HD11 LEU 813 HD11 LEU 3 3.480 28.405 2.500
19 HD12 LEU 813 HD12 LEU 3 3.998 27.780 0.917
20 HD13 LEU 813 HD13 LEU 3 5.028 27.546 2.333
21 HD21 LEU 813 HD21 LEU 3 3.066 25.012 4.047
22 HD22 LEU 813 HD22 LEU 3 2.772 26.746 4.330
23 HD23 LEU 813 HD23 LEU 3 4.424 26.124 4.118
24 H GLY 814 H GLY 4 -0.392 25.637 3.406
25 HA2 GLY 814 HA2 GLY 4 0.080 23.310 5.228
26 HA3 GLY 814 HA3 GLY 4 -0.611 24.873 5.680
27 H SER 815 H SER 5 -1.689 23.391 2.755
28 HA SER 815 HA SER 5 -4.299 22.542 3.842
29 HB2 SER 815 HB2 SER 5 -5.319 23.902 1.980
30 HB3 SER 815 HB3 SER 5 -4.498 24.862 3.227
31 HG SER 815 HG SER 5 -3.934 25.519 1.082
32 H VAL 816 H VAL 6 -1.823 21.223 2.482
33 HA VAL 816 HA VAL 6 -2.402 20.482 -0.191
34 HB VAL 816 HB VAL 6 -0.584 19.341 1.982
35 HG11 VAL 816 HG11 VAL 6 0.855 18.606 0.150
36 HG12 VAL 816 HG12 VAL 6 -0.450 19.022 -0.999
37 HG13 VAL 816 HG13 VAL 6 -0.708 17.777 0.259
38 HG21 VAL 816 HG21 VAL 6 1.132 20.733 1.265
39 HG22 VAL 816 HG22 VAL 6 -0.218 21.823 1.435
40 HG23 VAL 816 HG23 VAL 6 0.254 21.283 -0.191
41 H GLN 817 H GLN 7 -3.611 18.895 -1.007
42 HA GLN 817 HA GLN 7 -4.617 16.765 0.782
43 HB2 GLN 817 HB2 GLN 7 -5.967 16.161 -1.078
44 HB3 GLN 817 HB3 GLN 7 -6.100 17.898 -0.823
45 HG2 GLN 817 HG2 GLN 7 -5.689 18.175 -2.989
46 HG3 GLN 817 HG3 GLN 7 -4.036 17.763 -2.690
47 HE21 GLN 817 HE21 GLN 7 -6.620 16.915 -4.689
48 HE22 GLN 817 HE22 GLN 7 -6.082 15.293 -5.083
49 H HIS 818 H HIS 8 -3.857 14.675 0.756
50 HA HIS 818 HA HIS 8 -2.166 13.811 -1.539
51 HB2 HIS 818 HB2 HIS 8 -1.528 13.753 1.342
52 HB3 HIS 818 HB3 HIS 8 -1.235 12.250 0.488
53 HD2 HIS 818 HD2 HIS 8 0.140 15.700 0.817
54 HE1 HIS 818 HE1 HIS 8 2.223 14.048 -2.502
55 HE2 HIS 818 HE2 HIS 8 2.062 16.060 -0.985
56 H VAL 819 H VAL 9 -4.309 13.428 -2.358
57 HA VAL 819 HA VAL 9 -5.805 11.073 -1.742
58 HB VAL 819 HB VAL 9 -5.370 12.657 -4.274
59 HG11 VAL 819 HG11 VAL 9 -7.319 11.484 -5.197
60 HG12 VAL 819 HG12 VAL 9 -7.309 10.348 -3.828
61 HG13 VAL 819 HG13 VAL 9 -5.957 10.381 -4.994
62 HG21 VAL 819 HG21 VAL 9 -7.734 12.319 -2.349
63 HG22 VAL 819 HG22 VAL 9 -7.691 13.377 -3.780
64 HG23 VAL 819 HG23 VAL 9 -6.650 13.723 -2.391
65 H GLY 820 H GLY 10 -5.114 9.085 -1.616
66 HA2 GLY 820 HA2 GLY 10 -3.988 7.145 -2.504
67 HA3 GLY 820 HA3 GLY 10 -2.749 8.174 -3.207
68 H PHE 821 H PHE 11 -3.251 9.380 -0.060
69 HA PHE 821 HA PHE 11 -1.415 7.387 1.209
70 HB2 PHE 821 HB2 PHE 11 -0.968 10.356 1.372
71 HB3 PHE 821 HB3 PHE 11 0.056 9.077 1.966
72 HD1 PHE 821 HD1 PHE 11 -1.277 10.642 -1.143
73 HD2 PHE 821 HD2 PHE 11 1.877 8.363 0.674
74 HE1 PHE 821 HE1 PHE 11 0.118 11.038 -3.132
75 HE2 PHE 821 HE2 PHE 11 3.273 8.693 -1.379
76 HZ PHE 821 HZ PHE 11 2.417 10.178 -3.211
77 H LYS 822 H LYS 12 -2.990 6.617 2.517
78 HA LYS 822 HA LYS 12 -4.518 8.369 4.390
79 HB2 LYS 822 HB2 LYS 12 -5.898 6.829 3.663
80 HB3 LYS 822 HB3 LYS 12 -4.719 5.649 3.301
81 HG2 LYS 822 HG2 LYS 12 -5.421 6.195 6.229
82 HG3 LYS 822 HG3 LYS 12 -6.556 5.407 5.174
83 HD2 LYS 822 HD2 LYS 12 -4.848 3.671 4.558
84 HD3 LYS 822 HD3 LYS 12 -3.680 4.490 5.599
85 HE2 LYS 822 HE2 LYS 12 -4.514 2.550 6.722
86 HE3 LYS 822 HE3 LYS 12 -5.026 4.019 7.573
87 HZ1 LYS 822 HZ1 LYS 12 -7.262 3.731 6.608
88 HZ2 LYS 822 HZ2 LYS 12 -6.837 2.339 7.345
89 HZ3 LYS 822 HZ3 LYS 12 -6.770 2.435 5.726
90 H CYS 823 H CYS 13 -4.098 8.514 6.572
91 HA CYS 823 HA CYS 13 -1.419 8.228 7.559
92 HB2 CYS 823 HB2 CYS 13 -3.052 9.951 8.272
93 HB3 CYS 823 HB3 CYS 13 -4.079 8.646 8.901
94 H ASP 824 H ASP 14 -0.556 6.784 8.980
95 HA ASP 824 HA ASP 14 -1.817 4.096 9.252
96 HB2 ASP 824 HB2 ASP 14 0.937 5.224 9.865
97 HB3 ASP 824 HB3 ASP 14 0.429 3.625 10.393
98 H ASN 825 H ASN 15 -0.814 6.822 11.307
99 HA ASN 825 HA ASN 15 -1.244 5.417 13.790
100 HB2 ASN 825 HB2 ASN 15 0.165 7.432 13.655
101 HB3 ASN 825 HB3 ASN 15 -1.282 8.393 13.262
102 HD21 ASN 825 HD21 ASN 15 -1.607 9.611 15.064
103 HD22 ASN 825 HD22 ASN 15 -1.752 8.994 16.702
104 H CYS 826 H CYS 16 -3.377 8.030 12.399
105 HA CYS 826 HA CYS 16 -5.621 7.283 14.064
106 HB2 CYS 826 HB2 CYS 16 -5.599 8.781 11.420
107 HB3 CYS 826 HB3 CYS 16 -6.909 8.752 12.604
108 H GLY 827 H GLY 17 -4.685 6.664 10.767
109 HA2 GLY 827 HA2 GLY 17 -5.353 4.873 9.436
110 HA3 GLY 827 HA3 GLY 17 -6.852 4.715 10.323
111 H ILE 828 H ILE 18 -6.182 8.012 9.892
112 HA ILE 828 HA ILE 18 -8.543 8.502 8.480
113 HB ILE 828 HB ILE 18 -7.656 10.093 10.032
114 HG12 ILE 828 HG12 ILE 18 -7.615 11.355 7.255
115 HG13 ILE 828 HG13 ILE 18 -9.075 10.770 8.000
116 HG21 ILE 828 HG21 ILE 18 -5.241 9.999 9.821
117 HG22 ILE 828 HG22 ILE 18 -5.730 11.624 9.466
118 HG23 ILE 828 HG23 ILE 18 -5.311 10.547 8.128
119 HD11 ILE 828 HD11 ILE 18 -8.749 12.339 9.918
120 HD12 ILE 828 HD12 ILE 18 -8.990 13.128 8.348
121 HD13 ILE 828 HD13 ILE 18 -7.366 13.050 9.045
122 H GLU 829 H GLU 19 -9.050 8.993 6.510
123 HA GLU 829 HA GLU 19 -7.688 7.872 4.305
124 HB2 GLU 829 HB2 GLU 19 -9.347 9.598 3.117
125 HB3 GLU 829 HB3 GLU 19 -9.844 8.024 3.628
126 HG2 GLU 829 HG2 GLU 19 -10.183 10.543 5.335
127 HG3 GLU 829 HG3 GLU 19 -11.366 10.034 4.140
128 HA PRO 830 HA PRO 20 -4.919 10.297 1.979
129 HB2 PRO 830 HB2 PRO 20 -7.491 11.713 1.177
130 HB3 PRO 830 HB3 PRO 20 -6.019 11.389 0.219
131 HG2 PRO 830 HG2 PRO 20 -8.256 9.754 0.389
132 HG3 PRO 830 HG3 PRO 20 -6.659 9.221 -0.212
133 HD2 PRO 830 HD2 PRO 20 -7.851 8.249 2.107
134 HD3 PRO 830 HD3 PRO 20 -6.120 8.163 1.712
135 H ILE 831 H ILE 21 -3.718 11.248 3.456
136 HA ILE 831 HA ILE 21 -4.422 13.025 5.422
137 HB ILE 831 HB ILE 21 -1.786 12.619 3.973
138 HG12 ILE 831 HG12 ILE 21 -2.539 11.693 6.783
139 HG13 ILE 831 HG13 ILE 21 -2.977 10.741 5.383
140 HG21 ILE 831 HG21 ILE 21 -1.574 14.809 4.981
141 HG22 ILE 831 HG22 ILE 21 -0.714 13.684 6.015
142 HG23 ILE 831 HG23 ILE 21 -2.320 14.248 6.493
143 HD11 ILE 831 HD11 ILE 21 -0.120 11.558 5.953
144 HD12 ILE 831 HD12 ILE 21 -0.707 10.496 4.660
145 HD13 ILE 831 HD13 ILE 21 -0.849 9.996 6.357
146 H GLN 832 H GLN 22 -4.638 15.108 5.775
147 HA GLN 832 HA GLN 22 -4.515 16.965 3.453
148 HB2 GLN 832 HB2 GLN 22 -6.282 17.072 5.916
149 HB3 GLN 832 HB3 GLN 22 -6.273 18.220 4.580
150 HG2 GLN 832 HG2 GLN 22 -7.015 15.265 4.337
151 HG3 GLN 832 HG3 GLN 22 -8.147 16.597 4.455
152 HE21 GLN 832 HE21 GLN 22 -7.008 14.541 2.210
153 HE22 GLN 832 HE22 GLN 22 -7.217 15.594 0.805
154 H GLY 833 H GLY 23 -3.493 18.848 3.617
155 HA2 GLY 833 HA2 GLY 23 -2.785 20.823 4.896
156 HA3 GLY 833 HA3 GLY 23 -2.312 19.768 6.195
157 H VAL 834 H VAL 24 -0.786 18.013 5.565
158 HA VAL 834 HA VAL 24 1.327 18.559 3.655
159 HB VAL 834 HB VAL 24 1.684 20.021 5.648
160 HG11 VAL 834 HG11 VAL 24 2.156 17.510 7.233
161 HG12 VAL 834 HG12 VAL 24 0.753 18.597 7.375
162 HG13 VAL 834 HG13 VAL 24 2.371 19.189 7.779
163 HG21 VAL 834 HG21 VAL 24 3.786 17.839 5.315
164 HG22 VAL 834 HG22 VAL 24 4.059 19.393 6.111
165 HG23 VAL 834 HG23 VAL 24 3.677 19.373 4.396
166 H ARG 835 H ARG 25 2.257 16.535 3.080
167 HA ARG 835 HA ARG 25 1.230 14.122 4.525
168 HB2 ARG 835 HB2 ARG 25 1.161 13.771 2.233
169 HB3 ARG 835 HB3 ARG 25 2.735 14.507 1.929
170 HG2 ARG 835 HG2 ARG 25 3.837 12.578 3.036
171 HG3 ARG 835 HG3 ARG 25 2.242 11.849 3.325
172 HD2 ARG 835 HD2 ARG 25 1.904 11.701 0.864
173 HD3 ARG 835 HD3 ARG 25 3.506 12.425 0.613
174 HE ARG 835 HE ARG 25 3.124 9.905 2.226
175 HH11 ARG 835 HH11 ARG 25 4.380 8.366 2.125
176 HH12 ARG 835 HH12 ARG 25 5.811 8.362 1.111
177 HH21 ARG 835 HH21 ARG 25 4.905 11.325 -0.479
178 HH22 ARG 835 HH22 ARG 25 5.995 9.963 -0.492
179 H TRP 836 H TRP 26 2.702 12.583 5.458
180 HA TRP 836 HA TRP 26 5.431 13.641 6.037
181 HB2 TRP 836 HB2 TRP 26 3.578 12.476 8.122
182 HB3 TRP 836 HB3 TRP 26 5.310 12.511 8.264
183 HD1 TRP 836 HD1 TRP 26 2.391 14.888 8.334
184 HE1 TRP 836 HE1 TRP 26 3.212 17.110 9.421
185 HE3 TRP 836 HE3 TRP 26 7.385 14.073 8.119
186 HZ2 TRP 836 HZ2 TRP 26 5.697 18.141 10.425
187 HZ3 TRP 836 HZ3 TRP 26 8.975 15.552 9.307
188 HH2 TRP 836 HH2 TRP 26 8.146 17.541 10.521
189 H HIS 837 H HIS 27 6.498 12.452 4.708
190 HA HIS 837 HA HIS 27 5.978 9.541 4.263
191 HB2 HIS 837 HB2 HIS 27 6.505 10.980 2.330
192 HB3 HIS 837 HB3 HIS 27 7.903 11.634 3.140
193 HD2 HIS 837 HD2 HIS 27 10.164 10.608 2.553
194 HE1 HIS 837 HE1 HIS 27 8.895 6.852 0.971
195 HE2 HIS 837 HE2 HIS 27 10.906 8.361 1.386
196 H CYS 838 H CYS 28 7.072 7.995 5.669
197 HA CYS 838 HA CYS 28 9.301 8.942 7.289
198 HB2 CYS 838 HB2 CYS 28 7.762 7.212 7.969
199 HB3 CYS 838 HB3 CYS 28 8.471 6.176 6.705
200 H GLN 839 H GLN 29 11.328 9.043 6.887
201 HA GLN 839 HA GLN 29 12.201 9.029 4.142
202 HB2 GLN 839 HB2 GLN 29 13.738 9.359 6.750
203 HB3 GLN 839 HB3 GLN 29 14.426 9.579 5.146
204 HG2 GLN 839 HG2 GLN 29 12.748 11.369 4.671
205 HG3 GLN 839 HG3 GLN 29 12.193 11.268 6.347
206 HE21 GLN 839 HE21 GLN 29 13.258 13.760 5.353
207 HE22 GLN 839 HE22 GLN 29 14.829 13.968 6.049
208 H ASP 840 H ASP 30 12.762 6.811 6.924
209 HA ASP 840 HA ASP 30 14.655 5.220 5.281
210 HB2 ASP 840 HB2 ASP 30 15.110 6.049 7.666
211 HB3 ASP 840 HB3 ASP 30 13.794 5.060 8.123
212 H CYS 841 H CYS 31 11.320 4.951 6.564
213 HA CYS 841 HA CYS 31 11.064 2.121 6.256
214 HB2 CYS 841 HB2 CYS 31 8.993 4.340 6.126
215 HB3 CYS 841 HB3 CYS 31 8.625 2.650 5.879
216 HA PRO 842 HA PRO 32 11.417 1.845 1.911
217 HB2 PRO 842 HB2 PRO 32 10.573 -0.662 1.333
218 HB3 PRO 842 HB3 PRO 32 11.934 -0.360 2.457
219 HG2 PRO 842 HG2 PRO 32 9.029 -0.901 3.162
220 HG3 PRO 842 HG3 PRO 32 10.496 -1.670 3.840
221 HD2 PRO 842 HD2 PRO 32 9.202 0.481 5.021
222 HD3 PRO 842 HD3 PRO 32 10.944 0.160 5.200
223 HA PRO 843 HA PRO 33 7.758 3.164 -0.292
224 HB2 PRO 843 HB2 PRO 33 8.803 1.422 -2.547
225 HB3 PRO 843 HB3 PRO 33 8.148 3.081 -2.625
226 HG2 PRO 843 HG2 PRO 33 10.820 2.712 -2.637
227 HG3 PRO 843 HG3 PRO 33 10.129 3.972 -1.560
228 HD2 PRO 843 HD2 PRO 33 10.989 1.149 -0.847
229 HD3 PRO 843 HD3 PRO 33 11.329 2.693 -0.003
230 H GLU 844 H GLU 34 8.459 -0.311 -0.420
231 HA GLU 844 HA GLU 34 5.947 -1.313 -1.227
232 HB2 GLU 844 HB2 GLU 34 8.016 -2.609 -1.077
233 HB3 GLU 844 HB3 GLU 34 7.995 -2.513 0.686
234 HG2 GLU 844 HG2 GLU 34 5.931 -3.834 0.782
235 HG3 GLU 844 HG3 GLU 34 5.791 -3.815 -0.976
236 H MET 845 H MET 35 6.974 -0.234 1.970
237 HA MET 845 HA MET 35 4.295 -0.862 3.158
238 HB2 MET 845 HB2 MET 35 7.012 -0.195 4.293
239 HB3 MET 845 HB3 MET 35 5.587 0.046 5.278
240 HG2 MET 845 HG2 MET 35 6.250 -2.582 3.929
241 HG3 MET 845 HG3 MET 35 6.675 -2.168 5.584
242 HE1 MET 845 HE1 MET 35 4.053 -0.734 6.874
243 HE2 MET 845 HE2 MET 35 5.081 -1.987 7.615
244 HE3 MET 845 HE3 MET 35 3.322 -2.198 7.547
245 H SER 846 H SER 36 6.462 1.908 2.580
246 HA SER 846 HA SER 36 6.228 4.154 2.873
247 HB2 SER 846 HB2 SER 36 5.534 3.653 0.585
248 HB3 SER 846 HB3 SER 36 3.839 3.645 1.112
249 HG SER 846 HG SER 36 4.634 5.709 0.260
250 H LEU 847 H LEU 37 5.868 4.083 5.132
251 HA LEU 847 HA LEU 37 3.130 4.313 6.145
252 HB2 LEU 847 HB2 LEU 37 5.856 4.300 7.417
253 HB3 LEU 847 HB3 LEU 37 4.463 4.829 8.329
254 HG LEU 847 HG LEU 37 3.733 2.335 7.029
255 HD11 LEU 847 HD11 LEU 37 6.484 2.246 8.202
256 HD12 LEU 847 HD12 LEU 37 5.980 1.823 6.584
257 HD13 LEU 847 HD13 LEU 37 5.468 0.808 7.952
258 HD21 LEU 847 HD21 LEU 37 4.389 2.251 9.917
259 HD22 LEU 847 HD22 LEU 37 3.141 1.476 8.981
260 HD23 LEU 847 HD23 LEU 37 2.994 3.199 9.320
261 H ASP 848 H ASP 38 2.187 6.135 7.125
262 HA ASP 848 HA ASP 38 3.391 8.718 6.447
263 HB2 ASP 848 HB2 ASP 38 0.620 7.979 5.495
264 HB3 ASP 848 HB3 ASP 38 1.442 9.520 5.289
265 H PHE 849 H PHE 39 2.615 10.475 7.634
266 HA PHE 849 HA PHE 39 0.338 9.915 9.489
267 HB2 PHE 849 HB2 PHE 39 2.836 11.435 10.312
268 HB3 PHE 849 HB3 PHE 39 1.439 11.050 11.281
269 HD1 PHE 849 HD1 PHE 39 0.873 8.610 11.750
270 HD2 PHE 849 HD2 PHE 39 4.604 9.821 9.993
271 HE1 PHE 849 HE1 PHE 39 1.842 6.380 12.298
272 HE2 PHE 849 HE2 PHE 39 5.557 7.608 10.498
273 HZ PHE 849 HZ PHE 39 4.189 5.865 11.673
274 H CYS 850 H CYS 40 -1.013 11.635 10.071
275 HA CYS 850 HA CYS 40 -1.081 13.848 8.226
276 HB2 CYS 850 HB2 CYS 40 -2.911 14.601 9.564
277 HB3 CYS 850 HB3 CYS 40 -3.198 12.931 9.067
278 H ASP 851 H ASP 41 -1.422 16.106 9.103
279 HA ASP 851 HA ASP 41 0.864 17.194 10.354
280 HB2 ASP 851 HB2 ASP 41 -0.354 19.197 10.428
281 HB3 ASP 851 HB3 ASP 41 -0.754 18.415 8.908
282 H SER 852 H SER 42 -1.792 15.584 11.839
283 HA SER 852 HA SER 42 -1.319 16.751 14.501
284 HB2 SER 852 HB2 SER 42 -3.646 16.162 13.573
285 HB3 SER 852 HB3 SER 42 -3.197 14.475 13.867
286 HG SER 852 HG SER 42 -4.291 15.450 15.676
287 H CYS 853 H CYS 43 -1.052 13.638 12.809
288 HA CYS 853 HA CYS 43 -0.031 12.131 15.012
289 HB2 CYS 853 HB2 CYS 43 -0.590 11.780 12.070
290 HB3 CYS 853 HB3 CYS 43 0.105 10.473 13.003
291 H SER 854 H SER 44 1.434 13.956 12.405
292 HA SER 854 HA SER 44 4.029 12.771 12.425
293 HB2 SER 854 HB2 SER 44 4.746 14.780 11.413
294 HB3 SER 854 HB3 SER 44 3.122 14.442 10.864
295 HG SER 854 HG SER 44 3.973 16.485 12.646
296 H ASP 855 H ASP 45 2.450 14.445 15.011
297 HA ASP 855 HA ASP 45 4.886 15.124 16.461
298 HB2 ASP 855 HB2 ASP 45 2.687 16.387 16.637
299 HB3 ASP 855 HB3 ASP 45 2.014 14.971 17.445
300 H CYS 856 H CYS 46 3.168 12.245 15.825
301 HA CYS 856 HA CYS 46 3.542 10.887 18.348
302 HB2 CYS 856 HB2 CYS 46 1.699 10.480 16.488
303 HB3 CYS 856 HB3 CYS 46 2.984 9.621 15.648
304 HG CYS 856 HG CYS 46 1.661 9.049 18.639
305 H LEU 857 H LEU 47 4.855 8.963 18.501
306 HA LEU 857 HA LEU 47 7.159 8.760 16.627
307 HB2 LEU 857 HB2 LEU 47 7.932 9.872 18.648
308 HB3 LEU 857 HB3 LEU 47 7.323 8.557 19.657
309 HG LEU 857 HG LEU 47 8.962 7.006 18.749
310 HD11 LEU 857 HD11 LEU 47 9.581 9.241 16.772
311 HD12 LEU 857 HD12 LEU 47 9.103 7.556 16.428
312 HD13 LEU 857 HD13 LEU 47 10.704 7.917 17.097
313 HD21 LEU 857 HD21 LEU 47 10.283 9.697 19.296
314 HD22 LEU 857 HD22 LEU 47 11.032 8.091 19.468
315 HD23 LEU 857 HD23 LEU 47 9.701 8.558 20.534
316 H HIS 858 H HIS 48 5.903 7.295 15.510
317 HA HIS 858 HA HIS 48 4.840 4.965 16.943
318 HB2 HIS 858 HB2 HIS 48 3.372 6.362 15.492
319 HB3 HIS 858 HB3 HIS 48 4.350 5.895 14.104
320 HD2 HIS 858 HD2 HIS 48 3.318 3.908 12.775
321 HE1 HIS 858 HE1 HIS 48 1.144 1.984 15.899
322 HE2 HIS 858 HE2 HIS 48 1.677 1.946 13.411
323 H GLU 859 H GLU 49 5.066 2.842 16.372
324 HA GLU 859 HA GLU 49 7.171 2.166 14.443
325 HB2 GLU 859 HB2 GLU 49 7.195 0.793 17.139
326 HB3 GLU 859 HB3 GLU 49 8.396 0.793 15.908
327 HG2 GLU 859 HG2 GLU 49 8.818 3.260 16.363
328 HG3 GLU 859 HG3 GLU 49 7.669 3.139 17.684
329 H THR 860 H THR 50 6.993 0.219 13.468
330 HA THR 860 HA THR 50 4.741 -1.635 14.197
331 HB THR 860 HB THR 50 4.110 -1.969 11.919
332 HG1 THR 860 HG1 THR 50 5.069 -0.843 10.240
333 HG21 THR 860 HG21 THR 50 3.300 0.271 11.205
334 HG22 THR 860 HG22 THR 50 4.205 0.998 12.559
335 HG23 THR 860 HG23 THR 50 2.899 -0.144 12.889
336 H ASP 861 H ASP 51 5.610 -3.196 11.690
337 HA ASP 861 HA ASP 51 7.755 -4.759 12.862
338 HB2 ASP 861 HB2 ASP 51 6.330 -4.923 10.239
339 HB3 ASP 861 HB3 ASP 51 7.516 -6.086 10.795
340 H ILE 862 H ILE 52 7.361 -2.208 10.461
341 HA ILE 862 HA ILE 52 10.264 -2.271 9.900
342 HB ILE 862 HB ILE 52 8.127 -1.114 8.082
343 HG12 ILE 862 HG12 ILE 52 7.838 -3.556 8.111
344 HG13 ILE 862 HG13 ILE 52 8.353 -2.930 6.580
345 HG21 ILE 862 HG21 ILE 52 10.122 -1.360 6.449
346 HG22 ILE 862 HG22 ILE 52 11.128 -1.499 7.893
347 HG23 ILE 862 HG23 ILE 52 10.172 -0.025 7.625
348 HD11 ILE 862 HD11 ILE 52 9.468 -5.039 7.113
349 HD12 ILE 862 HD12 ILE 52 10.236 -4.279 8.531
350 HD13 ILE 862 HD13 ILE 52 10.616 -3.712 6.885
351 H HIS 863 H HIS 53 7.466 -0.337 10.756
352 HA HIS 863 HA HIS 53 8.856 2.218 10.652
353 HB2 HIS 863 HB2 HIS 53 6.506 1.913 10.234
354 HB3 HIS 863 HB3 HIS 53 6.101 1.458 11.779
355 HD1 HIS 863 HD1 HIS 53 5.002 4.012 10.139
356 HD2 HIS 863 HD2 HIS 53 8.327 4.038 12.577
357 HE1 HIS 863 HE1 HIS 53 6.609 5.612 9.061
358 H LYS 864 H LYS 54 10.186 3.031 12.169
359 HA LYS 864 HA LYS 54 10.042 2.054 14.961
360 HB2 LYS 864 HB2 LYS 54 12.587 2.088 13.304
361 HB3 LYS 864 HB3 LYS 54 12.448 1.765 15.020
362 HG2 LYS 864 HG2 LYS 54 11.284 0.064 12.763
363 HG3 LYS 864 HG3 LYS 54 12.741 -0.296 13.647
364 HD2 LYS 864 HD2 LYS 54 11.618 -0.898 15.613
365 HD3 LYS 864 HD3 LYS 54 10.133 -0.150 15.151
366 HE2 LYS 864 HE2 LYS 54 9.638 -1.744 13.482
367 HE3 LYS 864 HE3 LYS 54 11.282 -2.363 13.439
368 HZ1 LYS 864 HZ1 LYS 54 9.879 -3.886 14.671
369 HZ2 LYS 864 HZ2 LYS 54 9.339 -2.721 15.666
370 HZ3 LYS 864 HZ3 LYS 54 10.909 -3.214 15.750
371 H GLU 865 H GLU 55 11.422 3.347 16.444
372 HA GLU 865 HA GLU 55 11.464 6.175 15.845
373 HB2 GLU 865 HB2 GLU 55 12.145 6.420 18.121
374 HB3 GLU 865 HB3 GLU 55 10.875 5.210 18.017
375 HG2 GLU 865 HG2 GLU 55 12.751 3.449 18.101
376 HG3 GLU 865 HG3 GLU 55 13.871 4.761 18.400
377 H ASP 866 H ASP 56 13.561 3.898 14.712
378 HA ASP 866 HA ASP 56 16.120 4.931 15.469
379 HB2 ASP 866 HB2 ASP 56 15.478 2.583 14.737
380 HB3 ASP 866 HB3 ASP 56 15.439 3.239 13.107
381 H HIS 867 H HIS 57 13.737 5.930 13.195
382 HA HIS 867 HA HIS 57 15.603 7.542 11.559
383 HB2 HIS 867 HB2 HIS 57 13.856 6.804 9.777
384 HB3 HIS 867 HB3 HIS 57 15.142 5.729 10.215
385 HD1 HIS 867 HD1 HIS 57 14.046 3.561 9.616
386 HD2 HIS 867 HD2 HIS 57 11.587 6.291 11.605
387 HE1 HIS 867 HE1 HIS 57 11.655 3.330 8.750
388 H GLN 868 H GLN 58 13.645 8.652 10.009
389 HA GLN 868 HA GLN 58 11.914 10.228 11.711
390 HB2 GLN 868 HB2 GLN 58 12.959 12.386 11.353
391 HB3 GLN 868 HB3 GLN 58 14.034 11.307 12.212
392 HG2 GLN 868 HG2 GLN 58 14.205 11.936 9.231
393 HG3 GLN 868 HG3 GLN 58 15.160 12.720 10.478
394 HE21 GLN 868 HE21 GLN 58 15.678 10.638 8.109
395 HE22 GLN 868 HE22 GLN 58 16.712 9.455 8.917
396 H LEU 869 H LEU 59 10.759 11.948 10.565
397 HA LEU 869 HA LEU 59 9.830 10.870 7.962
398 HB2 LEU 869 HB2 LEU 59 8.441 12.844 9.804
399 HB3 LEU 869 HB3 LEU 59 7.744 11.934 8.464
400 HG LEU 869 HG LEU 59 6.830 11.125 10.413
401 HD11 LEU 869 HD11 LEU 59 7.304 9.427 8.802
402 HD12 LEU 869 HD12 LEU 59 7.429 8.757 10.439
403 HD13 LEU 869 HD13 LEU 59 8.919 9.120 9.563
404 HD21 LEU 869 HD21 LEU 59 8.612 11.868 12.046
405 HD22 LEU 869 HD22 LEU 59 9.469 10.345 11.675
406 HD23 LEU 869 HD23 LEU 59 7.846 10.310 12.363
407 H GLU 870 H GLU 60 9.172 12.218 6.271
408 HA GLU 870 HA GLU 60 10.501 14.876 6.085
409 HB2 GLU 870 HB2 GLU 60 11.163 13.018 4.495
410 HB3 GLU 870 HB3 GLU 60 9.550 13.027 3.873
411 HG2 GLU 870 HG2 GLU 60 11.185 14.204 2.488
412 HG3 GLU 870 HG3 GLU 60 9.803 15.219 2.959
413 HA PRO 871 HA PRO 61 6.174 16.303 5.831
414 HB2 PRO 871 HB2 PRO 61 6.597 18.990 5.976
415 HB3 PRO 871 HB3 PRO 61 6.700 17.926 7.401
416 HG2 PRO 871 HG2 PRO 61 8.952 19.044 5.727
417 HG3 PRO 871 HG3 PRO 61 8.861 18.870 7.504
418 HD2 PRO 871 HD2 PRO 61 10.153 17.095 5.788
419 HD3 PRO 871 HD3 PRO 61 9.545 16.651 7.400
420 H ILE 872 H ILE 62 4.975 16.784 3.987
421 HA ILE 872 HA ILE 62 6.450 17.855 1.617
422 HB ILE 872 HB ILE 62 4.144 16.005 1.356
423 HG12 ILE 872 HG12 ILE 62 5.746 14.709 2.770
424 HG13 ILE 872 HG13 ILE 62 5.462 14.000 1.210
425 HG21 ILE 872 HG21 ILE 62 4.942 17.361 -0.567
426 HG22 ILE 872 HG22 ILE 62 5.110 15.624 -0.863
427 HG23 ILE 872 HG23 ILE 62 6.526 16.614 -0.451
428 HD11 ILE 872 HD11 ILE 62 7.861 15.760 1.753
429 HD12 ILE 872 HD12 ILE 62 7.584 14.718 0.355
430 HD13 ILE 872 HD13 ILE 62 7.856 13.988 1.952
431 H TYR 873 H TYR 63 5.799 19.743 1.183
432 HA TYR 873 HA TYR 63 3.261 20.786 2.181
433 HB2 TYR 873 HB2 TYR 63 5.753 22.176 1.132
434 HB3 TYR 873 HB3 TYR 63 4.334 22.986 1.767
435 HD1 TYR 873 HD1 TYR 63 3.544 22.321 4.181
436 HD2 TYR 873 HD2 TYR 63 7.519 21.629 2.655
437 HE1 TYR 873 HE1 TYR 63 4.407 22.203 6.495
438 HE2 TYR 873 HE2 TYR 63 8.386 21.514 4.981
439 HH TYR 873 HH TYR 63 7.897 21.792 7.233
440 H ARG 874 H ARG 64 3.665 19.122 -0.295
441 HA ARG 874 HA ARG 64 1.797 20.497 -2.046
442 HB2 ARG 874 HB2 ARG 64 3.246 20.320 -4.052
443 HB3 ARG 874 HB3 ARG 64 3.832 21.488 -2.863
444 HG2 ARG 874 HG2 ARG 64 5.597 19.994 -2.135
445 HG3 ARG 874 HG3 ARG 64 4.934 18.655 -3.090
446 HD2 ARG 874 HD2 ARG 64 5.317 19.881 -5.158
447 HD3 ARG 874 HD3 ARG 64 5.943 21.272 -4.268
448 HE ARG 874 HE ARG 64 7.266 18.660 -4.747
449 HH11 ARG 874 HH11 ARG 64 9.270 21.547 -2.847
450 HH12 ARG 874 HH12 ARG 64 7.571 21.771 -3.139
451 HH21 ARG 874 HH21 ARG 64 9.432 18.462 -4.356
452 HH22 ARG 874 HH22 ARG 64 10.294 19.722 -3.523
453 H1 ALA 1 H1 ALA 65 0.661 4.853 5.747
454 H2 ALA 1 H2 ALA 65 -0.503 5.676 4.925
455 H3 ALA 1 H3 ALA 65 1.058 5.752 4.424
456 HA ALA 1 HA ALA 65 1.085 3.455 3.881
457 HB1 ALA 1 HB1 ALA 65 -1.858 3.507 4.655
458 HB2 ALA 1 HB2 ALA 65 -0.548 2.638 5.498
459 HB3 ALA 1 HB3 ALA 65 -1.002 2.165 3.862
460 H ARG 2 H ARG 66 1.439 3.679 1.827
461 HA ARG 2 HA ARG 66 0.024 5.266 -0.033
462 HB2 ARG 2 HB2 ARG 66 1.267 4.221 -1.726
463 HB3 ARG 2 HB3 ARG 66 2.306 4.361 -0.330
464 HG2 ARG 2 HG2 ARG 66 1.079 1.873 -1.552
465 HG3 ARG 2 HG3 ARG 66 2.773 2.257 -1.361
466 HD2 ARG 2 HD2 ARG 66 2.643 1.907 1.060
467 HD3 ARG 2 HD3 ARG 66 0.914 1.619 0.996
468 HE ARG 2 HE ARG 66 3.029 -0.252 0.369
469 HH11 ARG 2 HH11 ARG 66 -0.380 0.394 -0.326
470 HH12 ARG 2 HH12 ARG 66 -0.688 -1.296 -0.638
471 HH21 ARG 2 HH21 ARG 66 2.572 -2.284 0.002
472 HH22 ARG 2 HH22 ARG 66 0.963 -2.809 -0.456
473 H THR 3 H THR 67 -1.983 5.190 -0.587
474 HA THR 3 HA THR 67 -3.304 2.626 -1.417
475 HB THR 3 HB THR 67 -5.436 3.870 -1.175
476 HG1 THR 3 HG1 THR 67 -5.424 5.874 -0.209
477 HG21 THR 3 HG21 THR 67 -5.548 3.911 1.254
478 HG22 THR 3 HG22 THR 67 -3.778 3.992 1.387
479 HG23 THR 3 HG23 THR 67 -4.563 2.527 0.749
480 HH31 ALY 4 H26 ALY 68 0.636 12.191 -7.999
481 HH32 ALY 4 H27 ALY 68 -0.658 12.040 -6.796
482 HH33 ALY 4 H28 ALY 68 -0.397 10.747 -7.997
483 HZ ALY 4 HZ1 ALY 68 1.274 9.439 -4.994
484 HE3 ALY 4 HE3 ALY 68 -1.012 9.138 -4.449
485 HE2 ALY 4 HE2 ALY 68 -1.495 10.094 -5.843
486 HD3 ALY 4 HD3 ALY 68 -2.008 7.813 -6.369
487 HD2 ALY 4 HD2 ALY 68 -0.619 8.280 -7.341
488 HG3 ALY 4 HG3 ALY 68 -0.138 6.099 -6.567
489 HG2 ALY 4 HG2 ALY 68 0.886 7.173 -5.646
490 HB3 ALY 4 HB3 ALY 68 0.061 5.506 -4.161
491 HB2 ALY 4 HB2 ALY 68 -0.690 7.022 -3.698
492 HCA ALY 4 HA ALY 68 -2.802 6.316 -4.823
493 H ALY 4 H ALY 68 -1.737 5.355 -2.506
494 H GLN 5 H GLN 69 -3.737 5.303 -6.499
495 HA GLN 5 HA GLN 69 -2.972 2.654 -7.457
496 HB2 GLN 5 HB2 GLN 69 -4.861 4.763 -8.587
497 HB3 GLN 5 HB3 GLN 69 -4.647 3.129 -9.236
498 HG2 GLN 5 HG2 GLN 69 -5.355 2.172 -7.034
499 HG3 GLN 5 HG3 GLN 69 -5.682 3.804 -6.444
500 HE21 GLN 5 HE21 GLN 69 -8.950 2.510 -7.537
501 HE22 GLN 5 HE22 GLN 69 -7.795 2.194 -6.252
502 H THR 6 H THR 70 -2.268 2.190 -9.646
503 HA THR 6 HA THR 70 -0.975 4.287 -11.227
504 HB THR 6 HB THR 70 0.732 3.727 -9.504
505 HG1 THR 6 HG1 THR 70 2.367 3.562 -11.022
506 HG21 THR 6 HG21 THR 70 0.875 0.999 -10.873
507 HG22 THR 6 HG22 THR 70 0.268 1.293 -9.228
508 HG23 THR 6 HG23 THR 70 1.965 1.625 -9.618
509 H ALA 7 H ALA 71 -0.040 3.424 -13.233
510 HA ALA 7 HA ALA 71 -0.411 2.569 -15.270
511 HB1 ALA 7 HB1 ALA 71 0.696 0.635 -14.168
512 HB2 ALA 7 HB2 ALA 71 -0.347 0.165 -15.514
513 HB3 ALA 7 HB3 ALA 71 -0.906 -0.071 -13.849
514 H ARG 8 H ARG 72 -1.958 1.045 -16.652
515 HA ARG 8 HA ARG 72 -4.807 1.418 -16.033
516 HB2 ARG 8 HB2 ARG 72 -4.135 3.585 -16.992
517 HB3 ARG 8 HB3 ARG 72 -3.439 2.773 -18.389
518 HG2 ARG 8 HG2 ARG 72 -5.539 3.790 -18.970
519 HG3 ARG 8 HG3 ARG 72 -5.681 2.047 -19.125
520 HD2 ARG 8 HD2 ARG 72 -6.645 3.581 -16.675
521 HD3 ARG 8 HD3 ARG 72 -7.655 3.299 -18.109
522 HE ARG 8 HE ARG 72 -6.579 0.807 -17.250
523 HH11 ARG 8 HH11 ARG 72 -9.024 3.085 -16.164
524 HH12 ARG 8 HH12 ARG 72 -9.927 1.838 -15.337
525 HH21 ARG 8 HH21 ARG 72 -7.734 -0.681 -16.211
526 HH22 ARG 8 HH22 ARG 72 -9.199 -0.262 -15.364
Start of MODEL 13
1 H1 GLY 811 H1 GLY 1 -3.412 31.636 0.250
2 H2 GLY 811 H2 GLY 1 -5.043 31.742 0.361
3 H3 GLY 811 H3 GLY 1 -4.288 32.207 -1.015
4 HA2 GLY 811 HA2 GLY 1 -5.334 30.069 -1.369
5 HA3 GLY 811 HA3 GLY 1 -3.571 29.944 -1.478
6 HA PRO 812 HA PRO 2 -5.442 27.027 1.806
7 HB2 PRO 812 HB2 PRO 2 -5.351 24.617 0.520
8 HB3 PRO 812 HB3 PRO 2 -6.712 25.768 0.333
9 HG2 PRO 812 HG2 PRO 2 -4.303 25.428 -1.492
10 HG3 PRO 812 HG3 PRO 2 -6.038 25.455 -1.945
11 HD2 PRO 812 HD2 PRO 2 -4.495 27.679 -2.127
12 HD3 PRO 812 HD3 PRO 2 -6.197 27.781 -1.588
13 H LEU 813 H LEU 3 -4.262 25.612 3.134
14 HA LEU 813 HA LEU 3 -1.618 24.629 2.330
15 HB2 LEU 813 HB2 LEU 3 -1.407 27.131 3.150
16 HB3 LEU 813 HB3 LEU 3 -1.715 26.456 4.745
17 HG LEU 813 HG LEU 3 0.297 24.887 4.290
18 HD11 LEU 813 HD11 LEU 3 1.955 25.721 2.683
19 HD12 LEU 813 HD12 LEU 3 0.848 27.012 2.165
20 HD13 LEU 813 HD13 LEU 3 0.455 25.318 1.829
21 HD21 LEU 813 HD21 LEU 3 1.913 26.616 4.961
22 HD22 LEU 813 HD22 LEU 3 0.389 26.785 5.847
23 HD23 LEU 813 HD23 LEU 3 0.756 27.891 4.506
24 H GLY 814 H GLY 4 -3.891 25.043 5.040
25 HA2 GLY 814 HA2 GLY 4 -2.902 22.572 6.368
26 HA3 GLY 814 HA3 GLY 4 -3.897 23.835 7.085
27 H SER 815 H SER 5 -4.923 22.682 3.990
28 HA SER 815 HA SER 5 -7.112 21.057 5.132
29 HB2 SER 815 HB2 SER 5 -8.611 22.285 3.565
30 HB3 SER 815 HB3 SER 5 -7.863 23.333 4.784
31 HG SER 815 HG SER 5 -7.759 24.214 2.635
32 H VAL 816 H VAL 6 -4.566 20.506 3.437
33 HA VAL 816 HA VAL 6 -5.251 19.852 0.759
34 HB VAL 816 HB VAL 6 -3.007 19.034 2.637
35 HG11 VAL 816 HG11 VAL 6 -2.873 19.164 -0.356
36 HG12 VAL 816 HG12 VAL 6 -3.033 17.684 0.620
37 HG13 VAL 816 HG13 VAL 6 -1.594 18.686 0.818
38 HG21 VAL 816 HG21 VAL 6 -3.293 21.581 2.366
39 HG22 VAL 816 HG22 VAL 6 -2.909 21.342 0.649
40 HG23 VAL 816 HG23 VAL 6 -1.746 20.913 1.936
41 H GLN 817 H GLN 7 -6.009 18.056 -0.179
42 HA GLN 817 HA GLN 7 -6.486 15.647 1.492
43 HB2 GLN 817 HB2 GLN 7 -7.812 14.931 -0.439
44 HB3 GLN 817 HB3 GLN 7 -8.388 16.406 0.329
45 HG2 GLN 817 HG2 GLN 7 -8.422 17.495 -1.588
46 HG3 GLN 817 HG3 GLN 7 -6.709 17.260 -1.807
47 HE21 GLN 817 HE21 GLN 7 -6.013 15.149 -2.761
48 HE22 GLN 817 HE22 GLN 7 -7.036 14.494 -4.059
49 H HIS 818 H HIS 8 -5.127 13.930 1.478
50 HA HIS 818 HA HIS 8 -3.279 13.597 -0.827
51 HB2 HIS 818 HB2 HIS 8 -2.933 12.159 1.776
52 HB3 HIS 818 HB3 HIS 8 -1.753 12.674 0.584
53 HD2 HIS 818 HD2 HIS 8 -1.564 15.617 0.517
54 HE1 HIS 818 HE1 HIS 8 -2.711 15.982 4.582
55 HE2 HIS 818 HE2 HIS 8 -1.714 17.219 2.569
56 H VAL 819 H VAL 9 -5.485 12.785 -1.821
57 HA VAL 819 HA VAL 9 -6.335 10.109 -1.345
58 HB VAL 819 HB VAL 9 -6.431 11.741 -3.849
59 HG11 VAL 819 HG11 VAL 9 -7.781 9.075 -3.231
60 HG12 VAL 819 HG12 VAL 9 -6.560 9.366 -4.498
61 HG13 VAL 819 HG13 VAL 9 -8.147 10.120 -4.617
62 HG21 VAL 819 HG21 VAL 9 -8.833 11.930 -3.198
63 HG22 VAL 819 HG22 VAL 9 -7.791 12.591 -1.936
64 HG23 VAL 819 HG23 VAL 9 -8.507 10.981 -1.732
65 H GLY 820 H GLY 10 -5.502 8.196 -1.684
66 HA2 GLY 820 HA2 GLY 10 -4.054 6.586 -2.586
67 HA3 GLY 820 HA3 GLY 10 -3.033 7.856 -3.276
68 H PHE 821 H PHE 11 -3.539 8.833 -0.109
69 HA PHE 821 HA PHE 11 -1.319 7.155 1.014
70 HB2 PHE 821 HB2 PHE 11 -1.628 10.147 1.295
71 HB3 PHE 821 HB3 PHE 11 -0.319 9.127 1.876
72 HD1 PHE 821 HD1 PHE 11 -1.781 10.830 -1.016
73 HD2 PHE 821 HD2 PHE 11 1.551 8.602 0.520
74 HE1 PHE 821 HE1 PHE 11 -0.415 11.559 -2.959
75 HE2 PHE 821 HE2 PHE 11 2.893 9.222 -1.490
76 HZ PHE 821 HZ PHE 11 1.929 10.782 -3.168
77 H LYS 822 H LYS 12 -2.713 5.941 2.213
78 HA LYS 822 HA LYS 12 -4.423 7.128 4.360
79 HB2 LYS 822 HB2 LYS 12 -5.420 5.319 3.313
80 HB3 LYS 822 HB3 LYS 12 -3.964 4.459 3.110
81 HG2 LYS 822 HG2 LYS 12 -4.572 4.602 6.018
82 HG3 LYS 822 HG3 LYS 12 -5.983 4.144 5.122
83 HD2 LYS 822 HD2 LYS 12 -4.512 2.349 3.969
84 HD3 LYS 822 HD3 LYS 12 -3.321 2.745 5.225
85 HE2 LYS 822 HE2 LYS 12 -4.565 0.846 5.978
86 HE3 LYS 822 HE3 LYS 12 -5.021 2.234 6.976
87 HZ1 LYS 822 HZ1 LYS 12 -7.081 2.436 5.571
88 HZ2 LYS 822 HZ2 LYS 12 -6.990 0.981 6.315
89 HZ3 LYS 822 HZ3 LYS 12 -6.635 1.101 4.730
90 H CYS 823 H CYS 13 -3.772 7.030 6.540
91 HA CYS 823 HA CYS 13 -0.960 7.125 7.084
92 HB2 CYS 823 HB2 CYS 13 -2.258 8.674 8.195
93 HB3 CYS 823 HB3 CYS 13 -3.547 7.535 8.504
94 H ASP 824 H ASP 14 0.141 6.010 8.703
95 HA ASP 824 HA ASP 14 -0.353 3.071 8.906
96 HB2 ASP 824 HB2 ASP 14 2.120 4.798 9.286
97 HB3 ASP 824 HB3 ASP 14 2.037 3.119 9.783
98 H ASN 825 H ASN 15 0.164 5.958 10.973
99 HA ASN 825 HA ASN 15 0.309 4.523 13.483
100 HB2 ASN 825 HB2 ASN 15 1.099 6.814 13.278
101 HB3 ASN 825 HB3 ASN 15 -0.539 7.368 12.872
102 HD21 ASN 825 HD21 ASN 15 -2.080 7.559 14.564
103 HD22 ASN 825 HD22 ASN 15 -1.541 7.529 16.243
104 H CYS 826 H CYS 16 -2.429 6.411 12.102
105 HA CYS 826 HA CYS 16 -4.306 5.238 13.967
106 HB2 CYS 826 HB2 CYS 16 -4.943 7.108 11.681
107 HB3 CYS 826 HB3 CYS 16 -5.771 6.950 13.215
108 H GLY 827 H GLY 17 -3.486 4.924 10.575
109 HA2 GLY 827 HA2 GLY 17 -4.065 3.346 9.088
110 HA3 GLY 827 HA3 GLY 17 -5.270 2.661 10.148
111 H ILE 828 H ILE 18 -5.499 6.109 9.954
112 HA ILE 828 HA ILE 18 -8.057 6.058 8.766
113 HB ILE 828 HB ILE 18 -7.476 7.776 10.292
114 HG12 ILE 828 HG12 ILE 18 -7.662 9.102 7.541
115 HG13 ILE 828 HG13 ILE 18 -9.025 8.341 8.279
116 HG21 ILE 828 HG21 ILE 18 -5.384 8.827 8.349
117 HG22 ILE 828 HG22 ILE 18 -5.025 7.954 9.836
118 HG23 ILE 828 HG23 ILE 18 -5.841 9.494 9.931
119 HD11 ILE 828 HD11 ILE 18 -7.581 10.789 9.344
120 HD12 ILE 828 HD12 ILE 18 -8.857 9.915 10.231
121 HD13 ILE 828 HD13 ILE 18 -9.211 10.688 8.672
122 H GLU 829 H GLU 19 -8.716 6.513 6.784
123 HA GLU 829 HA GLU 19 -7.139 5.754 4.521
124 HB2 GLU 829 HB2 GLU 19 -9.631 7.242 4.127
125 HB3 GLU 829 HB3 GLU 19 -9.075 5.776 3.354
126 HG2 GLU 829 HG2 GLU 19 -10.458 5.936 6.019
127 HG3 GLU 829 HG3 GLU 19 -11.052 5.221 4.531
128 HA PRO 830 HA PRO 20 -5.330 8.962 2.369
129 HB2 PRO 830 HB2 PRO 20 -7.972 10.074 1.403
130 HB3 PRO 830 HB3 PRO 20 -6.346 10.177 0.655
131 HG2 PRO 830 HG2 PRO 20 -8.027 8.230 -0.069
132 HG3 PRO 830 HG3 PRO 20 -6.293 7.862 0.211
133 HD2 PRO 830 HD2 PRO 20 -8.675 7.369 1.969
134 HD3 PRO 830 HD3 PRO 20 -7.165 6.413 1.845
135 H ILE 831 H ILE 21 -4.323 10.211 3.686
136 HA ILE 831 HA ILE 21 -5.364 11.572 5.872
137 HB ILE 831 HB ILE 21 -2.737 11.869 4.384
138 HG12 ILE 831 HG12 ILE 21 -3.127 10.499 7.067
139 HG13 ILE 831 HG13 ILE 21 -3.467 9.626 5.597
140 HG21 ILE 831 HG21 ILE 21 -2.989 13.908 5.796
141 HG22 ILE 831 HG22 ILE 21 -1.748 12.860 6.414
142 HG23 ILE 831 HG23 ILE 21 -3.343 12.886 7.199
143 HD11 ILE 831 HD11 ILE 21 -1.197 9.169 6.258
144 HD12 ILE 831 HD12 ILE 21 -0.789 10.880 6.265
145 HD13 ILE 831 HD13 ILE 21 -1.203 10.075 4.735
146 H GLN 832 H GLN 22 -5.502 13.737 6.489
147 HA GLN 832 HA GLN 22 -5.858 15.651 4.223
148 HB2 GLN 832 HB2 GLN 22 -7.590 15.461 6.725
149 HB3 GLN 832 HB3 GLN 22 -7.838 16.541 5.362
150 HG2 GLN 832 HG2 GLN 22 -8.031 13.489 5.184
151 HG3 GLN 832 HG3 GLN 22 -9.372 14.548 5.473
152 HE21 GLN 832 HE21 GLN 22 -8.172 12.766 3.047
153 HE22 GLN 832 HE22 GLN 22 -8.741 13.769 1.709
154 H GLY 833 H GLY 23 -5.071 17.610 4.411
155 HA2 GLY 833 HA2 GLY 23 -4.836 19.663 5.765
156 HA3 GLY 833 HA3 GLY 23 -4.128 18.712 7.023
157 H VAL 834 H VAL 24 -2.195 17.434 6.377
158 HA VAL 834 HA VAL 24 -0.418 18.481 4.341
159 HB VAL 834 HB VAL 24 -0.137 19.858 6.386
160 HG11 VAL 834 HG11 VAL 24 -0.739 18.176 8.026
161 HG12 VAL 834 HG12 VAL 24 0.767 19.034 8.413
162 HG13 VAL 834 HG13 VAL 24 0.841 17.379 7.760
163 HG21 VAL 834 HG21 VAL 24 1.844 19.561 4.950
164 HG22 VAL 834 HG22 VAL 24 2.261 18.057 5.820
165 HG23 VAL 834 HG23 VAL 24 2.327 19.620 6.647
166 H ARG 835 H ARG 25 0.887 16.706 3.580
167 HA ARG 835 HA ARG 25 0.253 14.083 4.822
168 HB2 ARG 835 HB2 ARG 25 0.362 14.394 2.295
169 HB3 ARG 835 HB3 ARG 25 2.112 14.524 2.473
170 HG2 ARG 835 HG2 ARG 25 2.290 12.279 3.326
171 HG3 ARG 835 HG3 ARG 25 0.533 12.151 3.504
172 HD2 ARG 835 HD2 ARG 25 1.193 10.917 1.582
173 HD3 ARG 835 HD3 ARG 25 0.275 12.306 1.049
174 HE ARG 835 HE ARG 25 2.152 13.189 -0.015
175 HH11 ARG 835 HH11 ARG 25 3.113 10.248 1.719
176 HH12 ARG 835 HH12 ARG 25 4.635 10.187 0.858
177 HH21 ARG 835 HH21 ARG 25 5.153 11.584 -0.658
178 HH22 ARG 835 HH22 ARG 25 4.128 12.920 -1.098
179 H TRP 836 H TRP 26 2.021 12.665 5.541
180 HA TRP 836 HA TRP 26 4.590 14.078 6.084
181 HB2 TRP 836 HB2 TRP 26 3.178 12.399 8.157
182 HB3 TRP 836 HB3 TRP 26 4.853 12.785 8.161
183 HD1 TRP 836 HD1 TRP 26 1.565 14.587 8.716
184 HE1 TRP 836 HE1 TRP 26 2.084 16.888 9.826
185 HE3 TRP 836 HE3 TRP 26 6.578 14.748 7.939
186 HZ2 TRP 836 HZ2 TRP 26 4.432 18.333 10.631
187 HZ3 TRP 836 HZ3 TRP 26 7.988 16.476 9.005
188 HH2 TRP 836 HH2 TRP 26 6.933 18.258 10.383
189 H HIS 837 H HIS 27 5.594 13.290 4.500
190 HA HIS 837 HA HIS 27 5.432 10.449 3.621
191 HB2 HIS 837 HB2 HIS 27 5.484 12.357 1.980
192 HB3 HIS 837 HB3 HIS 27 7.002 12.893 2.648
193 HD2 HIS 837 HD2 HIS 27 9.215 11.775 1.803
194 HE1 HIS 837 HE1 HIS 27 7.507 8.721 -0.639
195 HE2 HIS 837 HE2 HIS 27 9.681 9.870 0.037
196 H CYS 838 H CYS 28 6.630 9.002 4.684
197 HA CYS 838 HA CYS 28 8.846 9.701 6.294
198 HB2 CYS 838 HB2 CYS 28 7.674 7.189 5.147
199 HB3 CYS 838 HB3 CYS 28 9.333 7.143 5.766
200 H GLN 839 H GLN 29 10.994 10.160 5.846
201 HA GLN 839 HA GLN 29 11.713 10.399 3.055
202 HB2 GLN 839 HB2 GLN 29 13.348 10.810 5.580
203 HB3 GLN 839 HB3 GLN 29 13.920 11.116 3.951
204 HG2 GLN 839 HG2 GLN 29 11.916 12.699 3.653
205 HG3 GLN 839 HG3 GLN 29 11.735 12.643 5.408
206 HE21 GLN 839 HE21 GLN 29 12.237 15.188 4.392
207 HE22 GLN 839 HE22 GLN 29 13.912 15.580 4.601
208 H ASP 840 H ASP 30 12.650 8.098 5.626
209 HA ASP 840 HA ASP 30 14.666 6.861 3.821
210 HB2 ASP 840 HB2 ASP 30 15.284 7.680 6.074
211 HB3 ASP 840 HB3 ASP 30 14.135 6.559 6.771
212 H CYS 841 H CYS 31 11.601 6.045 5.474
213 HA CYS 841 HA CYS 31 11.755 3.242 5.024
214 HB2 CYS 841 HB2 CYS 31 9.240 4.932 5.188
215 HB3 CYS 841 HB3 CYS 31 9.361 3.203 5.309
216 HA PRO 842 HA PRO 32 11.848 3.211 0.704
217 HB2 PRO 842 HB2 PRO 32 11.259 0.646 -0.007
218 HB3 PRO 842 HB3 PRO 32 12.673 1.075 0.999
219 HG2 PRO 842 HG2 PRO 32 9.945 0.132 1.945
220 HG3 PRO 842 HG3 PRO 32 11.553 -0.513 2.402
221 HD2 PRO 842 HD2 PRO 32 10.213 1.337 3.922
222 HD3 PRO 842 HD3 PRO 32 11.989 1.320 3.797
223 HA PRO 843 HA PRO 33 7.973 4.164 -1.319
224 HB2 PRO 843 HB2 PRO 33 9.179 2.677 -3.669
225 HB3 PRO 843 HB3 PRO 33 8.302 4.237 -3.660
226 HG2 PRO 843 HG2 PRO 33 10.992 4.240 -3.758
227 HG3 PRO 843 HG3 PRO 33 10.175 5.340 -2.596
228 HD2 PRO 843 HD2 PRO 33 11.433 2.634 -2.057
229 HD3 PRO 843 HD3 PRO 33 11.579 4.167 -1.143
230 H GLU 844 H GLU 34 9.108 0.810 -1.628
231 HA GLU 844 HA GLU 34 6.697 -0.466 -2.381
232 HB2 GLU 844 HB2 GLU 34 8.918 -1.496 -2.381
233 HB3 GLU 844 HB3 GLU 34 8.976 -1.453 -0.613
234 HG2 GLU 844 HG2 GLU 34 7.202 -3.083 -0.438
235 HG3 GLU 844 HG3 GLU 34 6.793 -2.913 -2.150
236 H MET 845 H MET 35 7.752 0.682 0.776
237 HA MET 845 HA MET 35 5.293 -0.324 2.129
238 HB2 MET 845 HB2 MET 35 7.726 1.141 3.192
239 HB3 MET 845 HB3 MET 35 6.329 0.648 4.160
240 HG2 MET 845 HG2 MET 35 8.089 -1.271 2.585
241 HG3 MET 845 HG3 MET 35 8.293 -0.895 4.292
242 HE1 MET 845 HE1 MET 35 5.324 -2.643 6.046
243 HE2 MET 845 HE2 MET 35 5.470 -0.914 5.661
244 HE3 MET 845 HE3 MET 35 6.892 -1.825 6.230
245 H SER 846 H SER 36 6.947 2.730 1.388
246 HA SER 846 HA SER 36 6.446 4.911 1.631
247 HB2 SER 846 HB2 SER 36 5.400 4.293 -0.534
248 HB3 SER 846 HB3 SER 36 3.836 4.161 0.300
249 HG SER 846 HG SER 36 4.257 6.274 -0.654
250 H LEU 847 H LEU 37 6.434 4.972 3.922
251 HA LEU 847 HA LEU 37 3.914 4.527 5.344
252 HB2 LEU 847 HB2 LEU 37 6.724 5.153 6.232
253 HB3 LEU 847 HB3 LEU 37 5.382 5.549 7.272
254 HG LEU 847 HG LEU 37 4.671 2.974 6.775
255 HD11 LEU 847 HD11 LEU 37 7.685 2.845 6.674
256 HD12 LEU 847 HD12 LEU 37 6.672 2.671 5.216
257 HD13 LEU 847 HD13 LEU 37 6.524 1.512 6.556
258 HD21 LEU 847 HD21 LEU 37 6.796 3.949 8.609
259 HD22 LEU 847 HD22 LEU 37 5.952 2.381 8.792
260 HD23 LEU 847 HD23 LEU 37 5.046 3.900 8.950
261 H ASP 848 H ASP 38 2.707 6.078 6.492
262 HA ASP 848 HA ASP 38 3.198 8.893 5.840
263 HB2 ASP 848 HB2 ASP 38 0.580 7.572 5.126
264 HB3 ASP 848 HB3 ASP 38 0.941 9.299 5.117
265 H PHE 849 H PHE 39 2.311 10.348 7.210
266 HA PHE 849 HA PHE 39 0.543 9.384 9.394
267 HB2 PHE 849 HB2 PHE 39 3.026 11.070 9.999
268 HB3 PHE 849 HB3 PHE 39 1.837 10.477 11.087
269 HD1 PHE 849 HD1 PHE 39 2.021 8.378 12.082
270 HD2 PHE 849 HD2 PHE 39 4.524 9.289 8.675
271 HE1 PHE 849 HE1 PHE 39 3.267 6.250 12.418
272 HE2 PHE 849 HE2 PHE 39 5.728 7.223 9.027
273 HZ PHE 849 HZ PHE 39 5.156 5.657 10.870
274 H CYS 850 H CYS 40 -0.906 10.840 10.236
275 HA CYS 850 HA CYS 40 -1.689 13.086 8.688
276 HB2 CYS 850 HB2 CYS 40 -2.462 12.342 11.523
277 HB3 CYS 850 HB3 CYS 40 -3.431 13.268 10.377
278 H ASP 851 H ASP 41 -2.203 15.231 9.703
279 HA ASP 851 HA ASP 41 0.002 16.717 10.598
280 HB2 ASP 851 HB2 ASP 41 -1.509 18.478 10.933
281 HB3 ASP 851 HB3 ASP 41 -2.137 17.572 9.574
282 H SER 852 H SER 42 -2.365 14.906 12.501
283 HA SER 852 HA SER 42 -1.417 15.945 15.056
284 HB2 SER 852 HB2 SER 42 -3.810 15.555 14.647
285 HB3 SER 852 HB3 SER 42 -3.485 13.828 14.395
286 HG SER 852 HG SER 42 -3.249 15.353 16.793
287 H CYS 853 H CYS 43 -1.346 12.764 13.343
288 HA CYS 853 HA CYS 43 -0.107 11.504 15.608
289 HB2 CYS 853 HB2 CYS 43 -0.663 9.532 14.617
290 HB3 CYS 853 HB3 CYS 43 -1.966 10.633 14.158
291 H SER 854 H SER 44 1.090 12.871 12.644
292 HA SER 854 HA SER 44 3.634 11.541 12.579
293 HB2 SER 854 HB2 SER 44 2.766 13.028 10.781
294 HB3 SER 854 HB3 SER 44 3.061 14.419 11.811
295 HG SER 854 HG SER 44 5.291 13.876 11.807
296 H ASP 855 H ASP 45 2.324 13.338 15.106
297 HA ASP 855 HA ASP 45 4.784 14.462 16.175
298 HB2 ASP 855 HB2 ASP 45 2.459 15.291 16.721
299 HB3 ASP 855 HB3 ASP 45 2.187 13.775 17.590
300 H CYS 856 H CYS 46 3.655 11.289 15.713
301 HA CYS 856 HA CYS 46 4.839 10.183 18.167
302 HB2 CYS 856 HB2 CYS 46 2.613 9.387 17.531
303 HB3 CYS 856 HB3 CYS 46 3.256 8.839 15.960
304 HG CYS 856 HG CYS 46 2.859 6.764 17.504
305 H LEU 857 H LEU 47 6.629 8.999 18.175
306 HA LEU 857 HA LEU 47 8.274 8.859 15.710
307 HB2 LEU 857 HB2 LEU 47 9.241 9.964 17.629
308 HB3 LEU 857 HB3 LEU 47 9.048 8.524 18.628
309 HG LEU 857 HG LEU 47 10.741 7.329 17.392
310 HD11 LEU 857 HD11 LEU 47 11.902 8.468 15.417
311 HD12 LEU 857 HD12 LEU 47 10.556 9.607 15.375
312 HD13 LEU 857 HD13 LEU 47 10.263 7.865 15.101
313 HD21 LEU 857 HD21 LEU 47 11.539 9.038 19.002
314 HD22 LEU 857 HD22 LEU 47 11.624 10.235 17.688
315 HD23 LEU 857 HD23 LEU 47 12.685 8.812 17.673
316 H HIS 858 H HIS 48 6.913 7.297 14.802
317 HA HIS 858 HA HIS 48 6.508 4.741 16.181
318 HB2 HIS 858 HB2 HIS 48 4.626 5.981 15.093
319 HB3 HIS 858 HB3 HIS 48 5.427 5.763 13.534
320 HD2 HIS 858 HD2 HIS 48 4.318 3.829 12.194
321 HE1 HIS 858 HE1 HIS 48 3.235 1.230 15.392
322 HE2 HIS 858 HE2 HIS 48 3.183 1.553 12.872
323 H GLU 859 H GLU 49 6.785 2.681 15.085
324 HA GLU 859 HA GLU 49 8.765 2.548 12.927
325 HB2 GLU 859 HB2 GLU 49 9.236 0.986 15.519
326 HB3 GLU 859 HB3 GLU 49 10.346 1.227 14.221
327 HG2 GLU 859 HG2 GLU 49 10.516 3.666 14.874
328 HG3 GLU 859 HG3 GLU 49 9.451 3.299 16.224
329 H THR 860 H THR 50 9.034 0.451 11.964
330 HA THR 860 HA THR 50 6.978 -1.599 12.716
331 HB THR 860 HB THR 50 6.318 -1.948 10.465
332 HG1 THR 860 HG1 THR 50 7.181 -0.701 8.775
333 HG21 THR 860 HG21 THR 50 6.315 1.062 10.905
334 HG22 THR 860 HG22 THR 50 5.138 -0.080 11.573
335 HG23 THR 860 HG23 THR 50 5.253 0.142 9.814
336 H ASP 861 H ASP 51 7.777 -3.208 10.413
337 HA ASP 861 HA ASP 51 10.118 -4.584 11.452
338 HB2 ASP 861 HB2 ASP 51 8.115 -5.698 10.361
339 HB3 ASP 861 HB3 ASP 51 8.602 -4.960 8.842
340 H ILE 862 H ILE 52 9.435 -2.113 9.146
341 HA ILE 862 HA ILE 52 12.197 -2.164 8.101
342 HB ILE 862 HB ILE 52 9.615 -1.380 6.771
343 HG12 ILE 862 HG12 ILE 52 11.878 -3.386 6.281
344 HG13 ILE 862 HG13 ILE 52 10.254 -3.773 6.842
345 HG21 ILE 862 HG21 ILE 52 11.236 -0.685 4.893
346 HG22 ILE 862 HG22 ILE 52 12.498 -0.659 6.154
347 HG23 ILE 862 HG23 ILE 52 11.098 0.428 6.256
348 HD11 ILE 862 HD11 ILE 52 10.388 -4.337 4.548
349 HD12 ILE 862 HD12 ILE 52 10.966 -2.716 4.111
350 HD13 ILE 862 HD13 ILE 52 9.307 -2.942 4.751
351 H HIS 863 H HIS 53 9.483 -0.105 9.197
352 HA HIS 863 HA HIS 53 11.051 2.331 8.994
353 HB2 HIS 863 HB2 HIS 53 8.699 2.591 8.830
354 HB3 HIS 863 HB3 HIS 53 8.346 1.656 10.207
355 HD1 HIS 863 HD1 HIS 53 11.078 4.424 10.896
356 HD2 HIS 863 HD2 HIS 53 7.010 3.801 10.766
357 HE1 HIS 863 HE1 HIS 53 10.064 6.682 10.799
358 H LYS 864 H LYS 54 12.469 3.016 10.411
359 HA LYS 864 HA LYS 54 11.928 2.382 13.262
360 HB2 LYS 864 HB2 LYS 54 14.650 2.478 11.878
361 HB3 LYS 864 HB3 LYS 54 14.337 2.208 13.577
362 HG2 LYS 864 HG2 LYS 54 13.366 0.333 11.280
363 HG3 LYS 864 HG3 LYS 54 14.837 0.098 12.156
364 HD2 LYS 864 HD2 LYS 54 13.619 -0.294 14.265
365 HD3 LYS 864 HD3 LYS 54 12.122 0.073 13.507
366 HE2 LYS 864 HE2 LYS 54 12.157 -2.239 13.469
367 HE3 LYS 864 HE3 LYS 54 12.563 -1.791 11.821
368 HZ1 LYS 864 HZ1 LYS 54 14.042 -3.552 12.687
369 HZ2 LYS 864 HZ2 LYS 54 14.537 -2.605 13.916
370 HZ3 LYS 864 HZ3 LYS 54 14.930 -2.223 12.372
371 H GLU 865 H GLU 55 13.013 3.807 14.804
372 HA GLU 865 HA GLU 55 12.515 6.569 14.280
373 HB2 GLU 865 HB2 GLU 55 13.219 6.890 16.555
374 HB3 GLU 865 HB3 GLU 55 12.228 5.444 16.440
375 HG2 GLU 865 HG2 GLU 55 14.435 4.118 16.411
376 HG3 GLU 865 HG3 GLU 55 15.270 5.630 16.719
377 H ASP 866 H ASP 56 14.970 4.898 13.019
378 HA ASP 866 HA ASP 56 17.299 6.471 13.499
379 HB2 ASP 866 HB2 ASP 56 17.154 4.135 12.569
380 HB3 ASP 866 HB3 ASP 56 16.594 4.876 11.072
381 H HIS 867 H HIS 57 14.407 6.910 11.483
382 HA HIS 867 HA HIS 57 15.758 9.037 9.969
383 HB2 HIS 867 HB2 HIS 57 14.672 8.541 8.212
384 HB3 HIS 867 HB3 HIS 57 14.853 6.924 8.852
385 HD1 HIS 867 HD1 HIS 57 12.413 9.552 7.756
386 HD2 HIS 867 HD2 HIS 57 12.453 5.756 9.533
387 HE1 HIS 867 HE1 HIS 57 10.060 8.701 7.562
388 H GLN 868 H GLN 58 13.892 10.208 8.806
389 HA GLN 868 HA GLN 58 12.367 11.856 10.705
390 HB2 GLN 868 HB2 GLN 58 13.296 13.919 9.854
391 HB3 GLN 868 HB3 GLN 58 14.580 12.911 10.508
392 HG2 GLN 868 HG2 GLN 58 13.942 13.202 7.529
393 HG3 GLN 868 HG3 GLN 58 15.171 14.119 8.383
394 HE21 GLN 868 HE21 GLN 58 17.106 12.953 9.169
395 HE22 GLN 868 HE22 GLN 58 17.456 11.366 8.503
396 H LEU 869 H LEU 59 10.709 13.087 9.793
397 HA LEU 869 HA LEU 59 9.556 11.990 7.272
398 HB2 LEU 869 HB2 LEU 59 8.195 13.744 9.351
399 HB3 LEU 869 HB3 LEU 59 7.453 12.792 8.065
400 HG LEU 869 HG LEU 59 6.882 11.819 10.051
401 HD11 LEU 869 HD11 LEU 59 9.101 10.105 8.972
402 HD12 LEU 869 HD12 LEU 59 7.455 10.286 8.269
403 HD13 LEU 869 HD13 LEU 59 7.665 9.563 9.865
404 HD21 LEU 869 HD21 LEU 59 8.698 12.733 11.534
405 HD22 LEU 869 HD22 LEU 59 9.730 11.381 10.990
406 HD23 LEU 869 HD23 LEU 59 8.218 11.062 11.840
407 H GLU 870 H GLU 60 8.551 13.241 5.708
408 HA GLU 870 HA GLU 60 9.418 16.097 5.560
409 HB2 GLU 870 HB2 GLU 60 10.169 14.450 3.789
410 HB3 GLU 870 HB3 GLU 60 8.501 14.250 3.349
411 HG2 GLU 870 HG2 GLU 60 9.658 15.741 1.863
412 HG3 GLU 870 HG3 GLU 60 8.315 16.565 2.677
413 HA PRO 871 HA PRO 61 4.931 16.911 5.887
414 HB2 PRO 871 HB2 PRO 61 5.003 19.628 6.047
415 HB3 PRO 871 HB3 PRO 61 5.393 18.575 7.424
416 HG2 PRO 871 HG2 PRO 61 7.287 19.997 5.547
417 HG3 PRO 871 HG3 PRO 61 7.417 19.801 7.322
418 HD2 PRO 871 HD2 PRO 61 8.747 18.230 5.457
419 HD3 PRO 871 HD3 PRO 61 8.345 17.673 7.102
420 H ILE 872 H ILE 62 3.429 17.306 4.215
421 HA ILE 872 HA ILE 62 4.415 18.719 1.768
422 HB ILE 872 HB ILE 62 2.508 16.431 1.614
423 HG12 ILE 872 HG12 ILE 62 4.507 15.425 2.739
424 HG13 ILE 872 HG13 ILE 62 4.058 14.742 1.203
425 HG21 ILE 872 HG21 ILE 62 3.326 16.312 -0.718
426 HG22 ILE 872 HG22 ILE 62 4.477 17.622 -0.384
427 HG23 ILE 872 HG23 ILE 62 2.744 17.925 -0.315
428 HD11 ILE 872 HD11 ILE 62 6.544 15.062 1.564
429 HD12 ILE 872 HD12 ILE 62 6.261 16.814 1.463
430 HD13 ILE 872 HD13 ILE 62 5.910 15.778 0.068
431 H TYR 873 H TYR 63 3.219 20.396 1.317
432 HA TYR 873 HA TYR 63 0.611 20.715 2.640
433 HB2 TYR 873 HB2 TYR 63 2.539 22.763 1.522
434 HB3 TYR 873 HB3 TYR 63 1.014 23.096 2.332
435 HD1 TYR 873 HD1 TYR 63 0.668 22.481 4.740
436 HD2 TYR 873 HD2 TYR 63 4.539 22.222 2.854
437 HE1 TYR 873 HE1 TYR 63 1.744 22.476 6.967
438 HE2 TYR 873 HE2 TYR 63 5.620 22.209 5.096
439 HH TYR 873 HH TYR 63 3.744 22.485 8.133
440 H ARG 874 H ARG 64 1.219 19.268 0.068
441 HA ARG 874 HA ARG 64 -0.971 20.297 -1.567
442 HB2 ARG 874 HB2 ARG 64 1.873 19.970 -2.620
443 HB3 ARG 874 HB3 ARG 64 0.469 20.090 -3.670
444 HG2 ARG 874 HG2 ARG 64 1.427 22.281 -1.776
445 HG3 ARG 874 HG3 ARG 64 1.677 22.205 -3.514
446 HD2 ARG 874 HD2 ARG 64 -0.723 22.292 -3.950
447 HD3 ARG 874 HD3 ARG 64 -1.087 22.306 -2.235
448 HE ARG 874 HE ARG 64 0.075 24.505 -3.854
449 HH11 ARG 874 HH11 ARG 64 -0.840 23.544 -0.595
450 HH12 ARG 874 HH12 ARG 64 -1.400 25.170 -0.208
451 HH21 ARG 874 HH21 ARG 64 -0.424 26.571 -3.163
452 HH22 ARG 874 HH22 ARG 64 -1.000 26.821 -1.536
453 H1 ALA 1 H1 ALA 65 1.658 5.556 3.709
454 H2 ALA 1 H2 ALA 65 1.477 4.775 5.158
455 H3 ALA 1 H3 ALA 65 0.170 5.429 4.393
456 HA ALA 1 HA ALA 65 1.792 3.214 3.429
457 HB1 ALA 1 HB1 ALA 65 0.338 2.542 5.299
458 HB2 ALA 1 HB2 ALA 65 -0.170 1.805 3.777
459 HB3 ALA 1 HB3 ALA 65 -1.080 3.184 4.438
460 H ARG 2 H ARG 66 1.741 2.905 1.312
461 HA ARG 2 HA ARG 66 0.321 4.657 -0.448
462 HB2 ARG 2 HB2 ARG 66 1.011 2.927 -2.245
463 HB3 ARG 2 HB3 ARG 66 2.207 3.906 -1.440
464 HG2 ARG 2 HG2 ARG 66 2.965 1.620 -1.818
465 HG3 ARG 2 HG3 ARG 66 3.009 2.068 -0.123
466 HD2 ARG 2 HD2 ARG 66 0.989 0.728 0.319
467 HD3 ARG 2 HD3 ARG 66 0.863 0.343 -1.413
468 HE ARG 2 HE ARG 66 3.467 -0.398 -0.472
469 HH11 ARG 2 HH11 ARG 66 0.166 -1.551 -0.128
470 HH12 ARG 2 HH12 ARG 66 0.693 -3.181 0.194
471 HH21 ARG 2 HH21 ARG 66 4.054 -2.383 -0.059
472 HH22 ARG 2 HH22 ARG 66 2.889 -3.665 0.232
473 H THR 3 H THR 67 -1.639 4.746 -1.105
474 HA THR 3 HA THR 67 -3.146 2.269 -1.833
475 HB THR 3 HB THR 67 -5.248 3.394 -1.175
476 HG1 THR 3 HG1 THR 67 -5.166 5.229 0.081
477 HG21 THR 3 HG21 THR 67 -5.090 3.092 1.222
478 HG22 THR 3 HG22 THR 67 -3.316 3.191 1.172
479 HG23 THR 3 HG23 THR 67 -4.156 1.817 0.417
480 HH31 ALY 4 H26 ALY 68 3.430 10.862 -7.415
481 HH32 ALY 4 H27 ALY 68 3.708 11.484 -5.771
482 HH33 ALY 4 H28 ALY 68 2.939 12.521 -7.002
483 HZ ALY 4 HZ1 ALY 68 2.529 9.255 -5.664
484 HE3 ALY 4 HE3 ALY 68 0.707 8.438 -4.390
485 HE2 ALY 4 HE2 ALY 68 -0.307 9.786 -4.940
486 HD3 ALY 4 HD3 ALY 68 -0.315 8.818 -7.234
487 HD2 ALY 4 HD2 ALY 68 0.643 7.448 -6.663
488 HG3 ALY 4 HG3 ALY 68 -2.156 8.190 -5.691
489 HG2 ALY 4 HG2 ALY 68 -1.754 6.954 -6.878
490 HB3 ALY 4 HB3 ALY 68 -0.292 5.885 -4.993
491 HB2 ALY 4 HB2 ALY 68 -1.147 6.960 -3.876
492 HCA ALY 4 HA ALY 68 -3.326 6.005 -4.854
493 H ALY 4 H ALY 68 -1.479 4.664 -3.091
494 H GLN 5 H GLN 69 -4.301 5.033 -6.524
495 HA GLN 5 HA GLN 69 -3.293 2.665 -7.858
496 HB2 GLN 5 HB2 GLN 69 -5.541 4.601 -8.565
497 HB3 GLN 5 HB3 GLN 69 -5.233 3.099 -9.422
498 HG2 GLN 5 HG2 GLN 69 -5.960 3.299 -6.464
499 HG3 GLN 5 HG3 GLN 69 -7.075 2.922 -7.768
500 HE21 GLN 5 HE21 GLN 69 -6.901 1.130 -5.677
501 HE22 GLN 5 HE22 GLN 69 -6.087 -0.320 -6.245
502 H THR 6 H THR 70 -2.775 2.443 -10.109
503 HA THR 6 HA THR 70 -0.829 4.383 -11.043
504 HB THR 6 HB THR 70 -1.963 1.879 -12.335
505 HG1 THR 6 HG1 THR 70 -0.641 1.536 -10.512
506 HG21 THR 6 HG21 THR 70 -1.141 3.235 -14.165
507 HG22 THR 6 HG22 THR 70 0.064 2.002 -13.809
508 HG23 THR 6 HG23 THR 70 0.330 3.670 -13.248
509 H ALA 7 H ALA 71 -1.129 6.135 -12.295
510 HA ALA 7 HA ALA 71 -3.784 6.872 -13.175
511 HB1 ALA 7 HB1 ALA 71 -2.176 8.443 -12.169
512 HB2 ALA 7 HB2 ALA 71 -2.672 8.979 -13.782
513 HB3 ALA 7 HB3 ALA 71 -1.078 8.224 -13.552
514 H ARG 8 H ARG 72 -1.138 5.338 -14.826
515 HA ARG 8 HA ARG 72 -1.642 6.202 -17.532
516 HB2 ARG 8 HB2 ARG 72 -0.209 3.739 -16.458
517 HB3 ARG 8 HB3 ARG 72 -0.235 4.241 -18.149
518 HG2 ARG 8 HG2 ARG 72 0.848 6.394 -17.542
519 HG3 ARG 8 HG3 ARG 72 0.936 5.886 -15.850
520 HD2 ARG 8 HD2 ARG 72 2.273 4.453 -18.182
521 HD3 ARG 8 HD3 ARG 72 3.064 5.579 -17.094
522 HE ARG 8 HE ARG 72 2.830 4.061 -15.264
523 HH11 ARG 8 HH11 ARG 72 2.026 2.526 -18.315
524 HH12 ARG 8 HH12 ARG 72 2.249 0.926 -17.662
525 HH21 ARG 8 HH21 ARG 72 3.094 2.001 -14.512
526 HH22 ARG 8 HH22 ARG 72 2.841 0.646 -15.571
Start of MODEL 14
1 H1 GLY 811 H1 GLY 1 -5.483 24.886 -3.268
2 H2 GLY 811 H2 GLY 1 -6.697 25.832 -2.699
3 H3 GLY 811 H3 GLY 1 -7.037 24.467 -3.535
4 HA2 GLY 811 HA2 GLY 1 -7.430 24.061 -1.188
5 HA3 GLY 811 HA3 GLY 1 -6.107 23.071 -1.808
6 HA PRO 812 HA PRO 2 -4.607 26.661 1.184
7 HB2 PRO 812 HB2 PRO 2 -6.235 25.551 3.471
8 HB3 PRO 812 HB3 PRO 2 -5.731 27.237 3.152
9 HG2 PRO 812 HG2 PRO 2 -8.254 26.458 2.590
10 HG3 PRO 812 HG3 PRO 2 -7.354 27.471 1.415
11 HD2 PRO 812 HD2 PRO 2 -7.766 24.471 1.370
12 HD3 PRO 812 HD3 PRO 2 -7.957 25.664 0.048
13 H LEU 813 H LEU 3 -2.839 26.445 2.536
14 HA LEU 813 HA LEU 3 -1.415 24.002 2.521
15 HB2 LEU 813 HB2 LEU 3 -1.011 26.654 3.955
16 HB3 LEU 813 HB3 LEU 3 0.098 25.312 4.163
17 HG LEU 813 HG LEU 3 0.622 25.275 1.760
18 HD11 LEU 813 HD11 LEU 3 -1.346 26.261 0.708
19 HD12 LEU 813 HD12 LEU 3 0.062 27.251 0.361
20 HD13 LEU 813 HD13 LEU 3 -1.096 27.792 1.592
21 HD21 LEU 813 HD21 LEU 3 1.958 27.332 1.793
22 HD22 LEU 813 HD22 LEU 3 1.969 26.548 3.380
23 HD23 LEU 813 HD23 LEU 3 0.953 27.977 3.115
24 H GLY 814 H GLY 4 -3.628 25.170 4.956
25 HA2 GLY 814 HA2 GLY 4 -2.840 23.073 6.921
26 HA3 GLY 814 HA3 GLY 4 -3.977 24.392 7.178
27 H SER 815 H SER 5 -4.580 22.860 4.198
28 HA SER 815 HA SER 5 -6.707 21.106 5.244
29 HB2 SER 815 HB2 SER 5 -7.148 23.311 3.204
30 HB3 SER 815 HB3 SER 5 -8.374 22.194 3.817
31 HG SER 815 HG SER 5 -8.201 23.161 5.858
32 H VAL 816 H VAL 6 -4.099 20.753 3.725
33 HA VAL 816 HA VAL 6 -4.469 20.183 0.989
34 HB VAL 816 HB VAL 6 -2.457 19.214 3.074
35 HG11 VAL 816 HG11 VAL 6 -2.124 19.427 0.090
36 HG12 VAL 816 HG12 VAL 6 -2.265 17.937 1.075
37 HG13 VAL 816 HG13 VAL 6 -0.870 19.006 1.288
38 HG21 VAL 816 HG21 VAL 6 -1.077 21.050 2.538
39 HG22 VAL 816 HG22 VAL 6 -2.628 21.734 2.930
40 HG23 VAL 816 HG23 VAL 6 -2.161 21.609 1.225
41 H GLN 817 H GLN 7 -5.255 18.467 -0.054
42 HA GLN 817 HA GLN 7 -5.772 15.971 1.452
43 HB2 GLN 817 HB2 GLN 7 -6.954 15.312 -0.498
44 HB3 GLN 817 HB3 GLN 7 -7.456 16.935 -0.065
45 HG2 GLN 817 HG2 GLN 7 -7.090 17.531 -2.181
46 HG3 GLN 817 HG3 GLN 7 -5.386 17.455 -1.864
47 HE21 GLN 817 HE21 GLN 7 -7.704 16.290 -4.031
48 HE22 GLN 817 HE22 GLN 7 -6.821 14.876 -4.565
49 H HIS 818 H HIS 8 -4.594 14.143 1.232
50 HA HIS 818 HA HIS 8 -2.666 13.873 -1.044
51 HB2 HIS 818 HB2 HIS 8 -2.134 13.621 1.858
52 HB3 HIS 818 HB3 HIS 8 -1.546 12.297 0.873
53 HD2 HIS 818 HD2 HIS 8 -1.128 16.106 1.103
54 HE1 HIS 818 HE1 HIS 8 1.862 14.720 -1.563
55 HE2 HIS 818 HE2 HIS 8 0.875 16.775 -0.463
56 H VAL 819 H VAL 9 -4.712 13.168 -1.978
57 HA VAL 819 HA VAL 9 -5.771 10.539 -1.546
58 HB VAL 819 HB VAL 9 -5.653 12.337 -3.930
59 HG11 VAL 819 HG11 VAL 9 -7.091 9.659 -3.739
60 HG12 VAL 819 HG12 VAL 9 -5.764 10.070 -4.858
61 HG13 VAL 819 HG13 VAL 9 -7.321 10.888 -5.003
62 HG21 VAL 819 HG21 VAL 9 -7.140 12.969 -2.012
63 HG22 VAL 819 HG22 VAL 9 -7.915 11.374 -2.101
64 HG23 VAL 819 HG23 VAL 9 -8.080 12.531 -3.441
65 H GLY 820 H GLY 10 -4.985 8.595 -1.861
66 HA2 GLY 820 HA2 GLY 10 -3.553 6.938 -2.726
67 HA3 GLY 820 HA3 GLY 10 -2.476 8.176 -3.370
68 H PHE 821 H PHE 11 -3.075 9.114 -0.162
69 HA PHE 821 HA PHE 11 -0.946 7.320 0.958
70 HB2 PHE 821 HB2 PHE 11 -1.100 10.288 1.428
71 HB3 PHE 821 HB3 PHE 11 0.164 9.185 1.913
72 HD1 PHE 821 HD1 PHE 11 -1.428 10.829 -1.032
73 HD2 PHE 821 HD2 PHE 11 2.117 9.015 0.593
74 HE1 PHE 821 HE1 PHE 11 -0.128 11.775 -2.886
75 HE2 PHE 821 HE2 PHE 11 3.419 9.863 -1.357
76 HZ PHE 821 HZ PHE 11 2.306 11.362 -3.020
77 H LYS 822 H LYS 12 -2.420 6.129 2.054
78 HA LYS 822 HA LYS 12 -4.187 7.314 4.165
79 HB2 LYS 822 HB2 LYS 12 -5.261 5.603 3.134
80 HB3 LYS 822 HB3 LYS 12 -3.857 4.694 2.795
81 HG2 LYS 822 HG2 LYS 12 -4.521 4.810 5.744
82 HG3 LYS 822 HG3 LYS 12 -5.775 4.171 4.725
83 HD2 LYS 822 HD2 LYS 12 -4.165 2.528 3.748
84 HD3 LYS 822 HD3 LYS 12 -2.891 3.234 4.760
85 HE2 LYS 822 HE2 LYS 12 -3.697 1.152 5.689
86 HE3 LYS 822 HE3 LYS 12 -3.951 2.520 6.779
87 HZ1 LYS 822 HZ1 LYS 12 -6.301 2.511 6.252
88 HZ2 LYS 822 HZ2 LYS 12 -5.907 0.968 6.606
89 HZ3 LYS 822 HZ3 LYS 12 -6.116 1.397 5.047
90 H CYS 823 H CYS 13 -3.635 7.149 6.349
91 HA CYS 823 HA CYS 13 -0.848 7.224 6.999
92 HB2 CYS 823 HB2 CYS 13 -2.309 8.738 8.040
93 HB3 CYS 823 HB3 CYS 13 -3.468 7.482 8.416
94 H ASP 824 H ASP 14 0.210 6.081 8.614
95 HA ASP 824 HA ASP 14 -0.289 3.137 8.758
96 HB2 ASP 824 HB2 ASP 14 2.158 4.865 9.251
97 HB3 ASP 824 HB3 ASP 14 2.064 3.186 9.744
98 H ASN 825 H ASN 15 0.138 5.998 10.878
99 HA ASN 825 HA ASN 15 0.185 4.498 13.366
100 HB2 ASN 825 HB2 ASN 15 0.996 6.805 13.252
101 HB3 ASN 825 HB3 ASN 15 -0.635 7.372 12.816
102 HD21 ASN 825 HD21 ASN 15 -2.119 7.685 14.486
103 HD22 ASN 825 HD22 ASN 15 -1.633 7.543 16.177
104 H CYS 826 H CYS 16 -2.457 6.415 11.859
105 HA CYS 826 HA CYS 16 -4.428 5.269 13.654
106 HB2 CYS 826 HB2 CYS 16 -4.893 7.213 11.382
107 HB3 CYS 826 HB3 CYS 16 -5.826 7.036 12.856
108 H GLY 827 H GLY 17 -3.491 4.947 10.288
109 HA2 GLY 827 HA2 GLY 17 -4.056 3.357 8.801
110 HA3 GLY 827 HA3 GLY 17 -5.363 2.767 9.797
111 H ILE 828 H ILE 18 -5.512 6.163 9.670
112 HA ILE 828 HA ILE 18 -7.994 6.177 8.367
113 HB ILE 828 HB ILE 18 -7.439 7.831 9.996
114 HG12 ILE 828 HG12 ILE 18 -7.675 9.278 7.313
115 HG13 ILE 828 HG13 ILE 18 -9.001 8.429 8.040
116 HG21 ILE 828 HG21 ILE 18 -5.345 8.984 8.092
117 HG22 ILE 828 HG22 ILE 18 -4.990 8.088 9.572
118 HG23 ILE 828 HG23 ILE 18 -5.829 9.609 9.679
119 HD11 ILE 828 HD11 ILE 18 -7.627 10.873 9.194
120 HD12 ILE 828 HD12 ILE 18 -8.845 9.908 10.065
121 HD13 ILE 828 HD13 ILE 18 -9.268 10.743 8.555
122 H GLU 829 H GLU 19 -8.618 6.752 6.394
123 HA GLU 829 HA GLU 19 -7.060 6.068 4.126
124 HB2 GLU 829 HB2 GLU 19 -9.395 7.778 3.744
125 HB3 GLU 829 HB3 GLU 19 -8.996 6.256 2.965
126 HG2 GLU 829 HG2 GLU 19 -10.379 6.598 5.625
127 HG3 GLU 829 HG3 GLU 19 -11.060 5.980 4.126
128 HA PRO 830 HA PRO 20 -4.974 9.253 2.145
129 HB2 PRO 830 HB2 PRO 20 -7.568 10.459 1.140
130 HB3 PRO 830 HB3 PRO 20 -5.925 10.557 0.431
131 HG2 PRO 830 HG2 PRO 20 -7.627 8.611 -0.365
132 HG3 PRO 830 HG3 PRO 20 -5.894 8.248 -0.068
133 HD2 PRO 830 HD2 PRO 20 -8.306 7.700 1.615
134 HD3 PRO 830 HD3 PRO 20 -6.768 6.781 1.544
135 H ILE 831 H ILE 21 -3.939 10.444 3.524
136 HA ILE 831 HA ILE 21 -4.965 11.812 5.694
137 HB ILE 831 HB ILE 21 -2.319 12.078 4.242
138 HG12 ILE 831 HG12 ILE 21 -2.859 10.713 6.911
139 HG13 ILE 831 HG13 ILE 21 -3.137 9.856 5.420
140 HG21 ILE 831 HG21 ILE 21 -3.073 13.251 6.958
141 HG22 ILE 831 HG22 ILE 21 -2.536 14.151 5.527
142 HG23 ILE 831 HG23 ILE 21 -1.416 13.086 6.374
143 HD11 ILE 831 HD11 ILE 21 -0.916 9.350 6.256
144 HD12 ILE 831 HD12 ILE 21 -0.469 11.055 6.205
145 HD13 ILE 831 HD13 ILE 21 -0.832 10.190 4.694
146 H GLN 832 H GLN 22 -5.481 13.804 6.302
147 HA GLN 832 HA GLN 22 -5.721 15.878 4.168
148 HB2 GLN 832 HB2 GLN 22 -7.522 15.410 6.569
149 HB3 GLN 832 HB3 GLN 22 -7.720 16.643 5.325
150 HG2 GLN 832 HG2 GLN 22 -7.858 13.627 4.851
151 HG3 GLN 832 HG3 GLN 22 -9.230 14.689 5.033
152 HE21 GLN 832 HE21 GLN 22 -7.774 13.045 2.692
153 HE22 GLN 832 HE22 GLN 22 -8.099 14.151 1.348
154 H GLY 833 H GLY 23 -5.103 17.890 4.543
155 HA2 GLY 833 HA2 GLY 23 -4.941 19.832 6.035
156 HA3 GLY 833 HA3 GLY 23 -4.247 18.805 7.243
157 H VAL 834 H VAL 24 -2.353 17.554 6.511
158 HA VAL 834 HA VAL 24 -0.411 18.651 4.676
159 HB VAL 834 HB VAL 24 -0.282 19.998 6.795
160 HG11 VAL 834 HG11 VAL 24 0.540 19.097 8.838
161 HG12 VAL 834 HG12 VAL 24 0.665 17.469 8.121
162 HG13 VAL 834 HG13 VAL 24 -0.936 18.241 8.347
163 HG21 VAL 834 HG21 VAL 24 2.151 18.232 6.253
164 HG22 VAL 834 HG22 VAL 24 2.172 19.751 7.167
165 HG23 VAL 834 HG23 VAL 24 1.762 19.786 5.457
166 H ARG 835 H ARG 25 0.932 16.876 4.060
167 HA ARG 835 HA ARG 25 0.301 14.279 5.443
168 HB2 ARG 835 HB2 ARG 25 -0.119 14.571 2.977
169 HB3 ARG 835 HB3 ARG 25 1.629 14.553 2.728
170 HG2 ARG 835 HG2 ARG 25 0.454 12.307 4.363
171 HG3 ARG 835 HG3 ARG 25 -0.111 12.383 2.717
172 HD2 ARG 835 HD2 ARG 25 2.766 12.046 3.593
173 HD3 ARG 835 HD3 ARG 25 1.688 10.847 2.869
174 HE ARG 835 HE ARG 25 1.777 12.871 0.961
175 HH11 ARG 835 HH11 ARG 25 3.801 10.325 2.169
176 HH12 ARG 835 HH12 ARG 25 5.120 10.665 1.083
177 HH21 ARG 835 HH21 ARG 25 3.481 13.214 -0.554
178 HH22 ARG 835 HH22 ARG 25 4.875 12.180 -0.492
179 H TRP 836 H TRP 26 2.148 12.801 5.770
180 HA TRP 836 HA TRP 26 4.680 14.292 6.239
181 HB2 TRP 836 HB2 TRP 26 3.333 12.480 8.258
182 HB3 TRP 836 HB3 TRP 26 4.997 12.910 8.282
183 HD1 TRP 836 HD1 TRP 26 1.619 14.661 8.746
184 HE1 TRP 836 HE1 TRP 26 2.036 16.899 9.995
185 HE3 TRP 836 HE3 TRP 26 6.692 14.833 8.468
186 HZ2 TRP 836 HZ2 TRP 26 4.284 18.286 11.106
187 HZ3 TRP 836 HZ3 TRP 26 7.988 16.510 9.753
188 HH2 TRP 836 HH2 TRP 26 6.798 18.232 11.102
189 H HIS 837 H HIS 27 6.024 13.506 4.914
190 HA HIS 837 HA HIS 27 5.861 10.689 3.889
191 HB2 HIS 837 HB2 HIS 27 6.010 12.639 2.272
192 HB3 HIS 837 HB3 HIS 27 7.518 13.100 3.009
193 HD2 HIS 837 HD2 HIS 27 9.715 11.895 2.249
194 HE1 HIS 837 HE1 HIS 27 7.983 8.966 -0.324
195 HE2 HIS 837 HE2 HIS 27 10.169 9.999 0.474
196 H CYS 838 H CYS 28 7.000 9.240 5.005
197 HA CYS 838 HA CYS 28 9.081 9.902 6.786
198 HB2 CYS 838 HB2 CYS 28 7.989 7.427 5.505
199 HB3 CYS 838 HB3 CYS 28 9.608 7.359 6.223
200 H GLN 839 H GLN 29 11.270 10.282 6.570
201 HA GLN 839 HA GLN 29 12.275 10.626 3.880
202 HB2 GLN 839 HB2 GLN 29 13.634 10.906 6.565
203 HB3 GLN 839 HB3 GLN 29 14.357 11.395 5.055
204 HG2 GLN 839 HG2 GLN 29 11.658 12.560 5.890
205 HG3 GLN 839 HG3 GLN 29 13.150 13.177 6.553
206 HE21 GLN 839 HE21 GLN 29 13.191 15.234 5.541
207 HE22 GLN 839 HE22 GLN 29 13.186 15.419 3.798
208 H ASP 840 H ASP 30 12.919 8.214 6.442
209 HA ASP 840 HA ASP 30 15.087 7.003 4.795
210 HB2 ASP 840 HB2 ASP 30 15.517 7.714 7.115
211 HB3 ASP 840 HB3 ASP 30 14.260 6.637 7.678
212 H CYS 841 H CYS 31 11.864 6.201 6.116
213 HA CYS 841 HA CYS 31 11.938 3.418 5.548
214 HB2 CYS 841 HB2 CYS 31 9.571 5.323 5.569
215 HB3 CYS 841 HB3 CYS 31 9.480 3.582 5.491
216 HA PRO 842 HA PRO 32 12.447 3.635 1.223
217 HB2 PRO 842 HB2 PRO 32 11.960 1.109 0.344
218 HB3 PRO 842 HB3 PRO 32 13.272 1.488 1.508
219 HG2 PRO 842 HG2 PRO 32 10.472 0.479 2.128
220 HG3 PRO 842 HG3 PRO 32 12.029 -0.176 2.713
221 HD2 PRO 842 HD2 PRO 32 10.518 1.611 4.159
222 HD3 PRO 842 HD3 PRO 32 12.296 1.547 4.251
223 HA PRO 843 HA PRO 33 8.724 4.724 -0.964
224 HB2 PRO 843 HB2 PRO 33 10.049 3.425 -3.360
225 HB3 PRO 843 HB3 PRO 33 9.189 4.988 -3.262
226 HG2 PRO 843 HG2 PRO 33 11.880 4.960 -3.206
227 HG3 PRO 843 HG3 PRO 33 11.002 5.974 -2.011
228 HD2 PRO 843 HD2 PRO 33 12.205 3.215 -1.621
229 HD3 PRO 843 HD3 PRO 33 12.310 4.667 -0.578
230 H GLU 844 H GLU 34 9.851 1.398 -1.498
231 HA GLU 844 HA GLU 34 7.491 0.188 -2.464
232 HB2 GLU 844 HB2 GLU 34 9.703 -0.875 -2.363
233 HB3 GLU 844 HB3 GLU 34 9.645 -0.897 -0.593
234 HG2 GLU 844 HG2 GLU 34 7.852 -2.520 -0.600
235 HG3 GLU 844 HG3 GLU 34 7.573 -2.295 -2.331
236 H MET 845 H MET 35 8.376 1.038 0.835
237 HA MET 845 HA MET 35 5.889 -0.114 2.010
238 HB2 MET 845 HB2 MET 35 8.354 1.204 3.211
239 HB3 MET 845 HB3 MET 35 6.997 0.641 4.168
240 HG2 MET 845 HG2 MET 35 8.570 -1.183 2.328
241 HG3 MET 845 HG3 MET 35 8.971 -0.909 4.014
242 HE1 MET 845 HE1 MET 35 7.678 -1.817 6.078
243 HE2 MET 845 HE2 MET 35 6.106 -2.639 6.002
244 HE3 MET 845 HE3 MET 35 6.208 -0.908 5.650
245 H SER 846 H SER 36 7.515 3.037 1.622
246 HA SER 846 HA SER 36 6.890 5.204 1.924
247 HB2 SER 846 HB2 SER 36 6.010 4.680 -0.273
248 HB3 SER 846 HB3 SER 36 4.466 4.185 0.436
249 HG SER 846 HG SER 36 4.117 6.330 1.086
250 H LEU 847 H LEU 37 6.814 5.176 4.203
251 HA LEU 847 HA LEU 37 4.248 4.651 5.531
252 HB2 LEU 847 HB2 LEU 37 7.048 5.165 6.519
253 HB3 LEU 847 HB3 LEU 37 5.682 5.544 7.548
254 HG LEU 847 HG LEU 37 4.859 3.076 7.021
255 HD11 LEU 847 HD11 LEU 37 6.628 2.674 5.231
256 HD12 LEU 847 HD12 LEU 37 6.552 1.481 6.546
257 HD13 LEU 847 HD13 LEU 37 7.824 2.714 6.561
258 HD21 LEU 847 HD21 LEU 37 7.189 3.803 8.669
259 HD22 LEU 847 HD22 LEU 37 6.316 2.244 8.820
260 HD23 LEU 847 HD23 LEU 37 5.470 3.775 9.148
261 H ASP 848 H ASP 38 2.959 6.169 6.569
262 HA ASP 848 HA ASP 38 3.466 8.991 5.930
263 HB2 ASP 848 HB2 ASP 38 0.938 7.592 5.041
264 HB3 ASP 848 HB3 ASP 38 1.300 9.310 4.923
265 H PHE 849 H PHE 39 2.471 10.459 7.240
266 HA PHE 849 HA PHE 39 0.552 9.460 9.279
267 HB2 PHE 849 HB2 PHE 39 3.011 11.084 10.121
268 HB3 PHE 849 HB3 PHE 39 1.768 10.428 11.088
269 HD1 PHE 849 HD1 PHE 39 4.741 9.456 8.988
270 HD2 PHE 849 HD2 PHE 39 1.606 8.120 11.637
271 HE1 PHE 849 HE1 PHE 39 5.882 7.348 9.307
272 HE2 PHE 849 HE2 PHE 39 2.785 5.935 11.916
273 HZ PHE 849 HZ PHE 39 4.962 5.543 10.736
274 H CYS 850 H CYS 40 -0.938 10.888 10.096
275 HA CYS 850 HA CYS 40 -1.572 13.261 8.667
276 HB2 CYS 850 HB2 CYS 40 -2.574 12.462 11.417
277 HB3 CYS 850 HB3 CYS 40 -3.448 13.342 10.174
278 H ASP 851 H ASP 41 -2.208 15.281 10.034
279 HA ASP 851 HA ASP 41 0.081 16.701 10.795
280 HB2 ASP 851 HB2 ASP 41 -1.368 18.466 11.313
281 HB3 ASP 851 HB3 ASP 41 -2.154 17.599 10.006
282 H SER 852 H SER 42 -2.158 14.891 12.845
283 HA SER 852 HA SER 42 -0.939 15.823 15.331
284 HB2 SER 852 HB2 SER 42 -3.373 15.571 15.142
285 HB3 SER 852 HB3 SER 42 -3.180 13.838 14.828
286 HG SER 852 HG SER 42 -3.645 14.309 17.052
287 H CYS 853 H CYS 43 -1.114 12.724 13.506
288 HA CYS 853 HA CYS 43 0.121 11.265 15.648
289 HB2 CYS 853 HB2 CYS 43 -0.576 9.399 14.475
290 HB3 CYS 853 HB3 CYS 43 -1.838 10.625 14.244
291 H SER 854 H SER 44 1.280 12.836 12.814
292 HA SER 854 HA SER 44 3.742 11.436 12.363
293 HB2 SER 854 HB2 SER 44 4.503 13.533 11.400
294 HB3 SER 854 HB3 SER 44 2.819 13.268 10.941
295 HG SER 854 HG SER 44 3.050 15.380 11.659
296 H ASP 855 H ASP 45 2.618 13.149 15.115
297 HA ASP 855 HA ASP 45 5.298 13.704 16.192
298 HB2 ASP 855 HB2 ASP 45 3.313 15.296 16.452
299 HB3 ASP 855 HB3 ASP 45 2.611 14.097 17.541
300 H CYS 856 H CYS 46 3.331 11.004 15.920
301 HA CYS 856 HA CYS 46 3.477 10.126 18.696
302 HB2 CYS 856 HB2 CYS 46 1.548 9.817 17.018
303 HB3 CYS 856 HB3 CYS 46 2.484 8.481 16.340
304 HG CYS 856 HG CYS 46 2.767 7.168 18.603
305 H LEU 857 H LEU 47 5.520 9.838 16.058
306 HA LEU 857 HA LEU 47 7.398 8.718 15.585
307 HB2 LEU 857 HB2 LEU 47 7.933 10.024 17.604
308 HB3 LEU 857 HB3 LEU 47 7.655 8.616 18.612
309 HG LEU 857 HG LEU 47 9.578 7.474 17.778
310 HD11 LEU 857 HD11 LEU 47 10.997 8.523 15.922
311 HD12 LEU 857 HD12 LEU 47 9.607 9.547 15.556
312 HD13 LEU 857 HD13 LEU 47 9.472 7.768 15.411
313 HD21 LEU 857 HD21 LEU 47 11.387 9.073 18.225
314 HD22 LEU 857 HD22 LEU 47 10.039 9.341 19.333
315 HD23 LEU 857 HD23 LEU 47 10.278 10.435 17.951
316 H HIS 858 H HIS 48 5.965 7.087 14.719
317 HA HIS 858 HA HIS 48 5.649 4.581 16.194
318 HB2 HIS 858 HB2 HIS 48 3.739 5.579 14.949
319 HB3 HIS 858 HB3 HIS 48 4.673 5.481 13.455
320 HD2 HIS 858 HD2 HIS 48 3.876 3.518 11.992
321 HE1 HIS 858 HE1 HIS 48 2.802 0.706 15.010
322 HE2 HIS 858 HE2 HIS 48 2.915 1.114 12.505
323 H GLU 859 H GLU 49 6.147 2.499 15.143
324 HA GLU 859 HA GLU 49 8.379 2.519 13.231
325 HB2 GLU 859 HB2 GLU 49 8.609 0.999 15.885
326 HB3 GLU 859 HB3 GLU 49 9.861 1.278 14.735
327 HG2 GLU 859 HG2 GLU 49 9.815 3.744 15.326
328 HG3 GLU 859 HG3 GLU 49 8.608 3.340 16.544
329 H THR 860 H THR 50 8.864 0.470 12.283
330 HA THR 860 HA THR 50 6.879 -1.719 12.754
331 HB THR 860 HB THR 50 6.463 -2.036 10.448
332 HG1 THR 860 HG1 THR 50 7.426 -0.716 8.868
333 HG21 THR 860 HG21 THR 50 6.257 0.961 10.923
334 HG22 THR 860 HG22 THR 50 5.069 -0.257 11.420
335 HG23 THR 860 HG23 THR 50 5.387 0.007 9.690
336 H ASP 861 H ASP 51 7.964 -3.266 10.579
337 HA ASP 861 HA ASP 51 10.327 -4.429 11.805
338 HB2 ASP 861 HB2 ASP 51 8.827 -5.055 9.300
339 HB3 ASP 861 HB3 ASP 51 10.168 -6.001 9.900
340 H ILE 862 H ILE 52 9.634 -2.053 9.419
341 HA ILE 862 HA ILE 52 12.437 -1.981 8.514
342 HB ILE 862 HB ILE 52 9.898 -0.761 7.346
343 HG12 ILE 862 HG12 ILE 52 10.285 -3.123 6.729
344 HG13 ILE 862 HG13 ILE 52 10.227 -2.009 5.400
345 HG21 ILE 862 HG21 ILE 52 11.474 0.971 7.100
346 HG22 ILE 862 HG22 ILE 52 11.552 0.071 5.570
347 HG23 ILE 862 HG23 ILE 52 12.807 -0.160 6.821
348 HD11 ILE 862 HD11 ILE 52 12.655 -2.097 5.128
349 HD12 ILE 862 HD12 ILE 52 11.955 -3.721 5.085
350 HD13 ILE 862 HD13 ILE 52 12.787 -3.167 6.557
351 H HIS 863 H HIS 53 9.652 -0.042 9.608
352 HA HIS 863 HA HIS 53 11.167 2.415 9.624
353 HB2 HIS 863 HB2 HIS 53 8.840 2.551 9.203
354 HB3 HIS 863 HB3 HIS 53 8.377 1.652 10.572
355 HD1 HIS 863 HD1 HIS 53 10.934 4.492 11.508
356 HD2 HIS 863 HD2 HIS 53 6.915 3.806 10.908
357 HE1 HIS 863 HE1 HIS 53 9.896 6.739 11.310
358 H LYS 864 H LYS 54 12.433 3.109 11.194
359 HA LYS 864 HA LYS 54 11.528 2.523 13.970
360 HB2 LYS 864 HB2 LYS 54 14.407 2.638 12.959
361 HB3 LYS 864 HB3 LYS 54 13.850 2.338 14.593
362 HG2 LYS 864 HG2 LYS 54 13.227 0.501 12.153
363 HG3 LYS 864 HG3 LYS 54 14.578 0.262 13.176
364 HD2 LYS 864 HD2 LYS 54 13.116 -0.185 15.140
365 HD3 LYS 864 HD3 LYS 54 11.723 0.081 14.176
366 HE2 LYS 864 HE2 LYS 54 11.882 -2.202 14.019
367 HE3 LYS 864 HE3 LYS 54 12.654 -1.695 12.529
368 HZ1 LYS 864 HZ1 LYS 54 14.837 -2.025 13.633
369 HZ2 LYS 864 HZ2 LYS 54 13.965 -3.403 13.691
370 HZ3 LYS 864 HZ3 LYS 54 14.102 -2.474 15.023
371 H GLU 865 H GLU 55 12.357 3.991 15.604
372 HA GLU 865 HA GLU 55 11.944 6.739 14.941
373 HB2 GLU 865 HB2 GLU 55 12.266 7.122 17.285
374 HB3 GLU 865 HB3 GLU 55 11.316 5.660 17.061
375 HG2 GLU 865 HG2 GLU 55 13.499 4.350 17.419
376 HG3 GLU 865 HG3 GLU 55 14.283 5.879 17.787
377 H ASP 866 H ASP 56 14.546 5.051 14.094
378 HA ASP 866 HA ASP 56 16.785 6.668 14.827
379 HB2 ASP 866 HB2 ASP 56 16.792 4.295 13.979
380 HB3 ASP 866 HB3 ASP 56 16.405 4.963 12.399
381 H HIS 867 H HIS 57 14.175 6.976 12.431
382 HA HIS 867 HA HIS 57 15.674 9.079 11.044
383 HB2 HIS 867 HB2 HIS 57 14.738 8.614 9.200
384 HB3 HIS 867 HB3 HIS 57 14.863 6.987 9.834
385 HD1 HIS 867 HD1 HIS 57 12.531 9.636 8.572
386 HD2 HIS 867 HD2 HIS 57 12.400 5.807 10.274
387 HE1 HIS 867 HE1 HIS 57 10.229 8.783 8.096
388 H GLN 868 H GLN 58 13.939 10.284 9.716
389 HA GLN 868 HA GLN 58 12.288 11.943 11.492
390 HB2 GLN 868 HB2 GLN 58 13.311 14.005 10.752
391 HB3 GLN 868 HB3 GLN 58 14.485 12.963 11.539
392 HG2 GLN 868 HG2 GLN 58 14.228 13.334 8.512
393 HG3 GLN 868 HG3 GLN 58 15.366 14.175 9.542
394 HE21 GLN 868 HE21 GLN 58 17.155 12.913 10.523
395 HE22 GLN 868 HE22 GLN 58 17.555 11.359 9.808
396 H LEU 869 H LEU 59 10.775 13.278 10.451
397 HA LEU 869 HA LEU 59 9.721 12.173 7.877
398 HB2 LEU 869 HB2 LEU 59 8.251 13.818 9.957
399 HB3 LEU 869 HB3 LEU 59 7.583 12.901 8.607
400 HG LEU 869 HG LEU 59 6.960 11.880 10.579
401 HD11 LEU 869 HD11 LEU 59 9.142 10.181 9.395
402 HD12 LEU 869 HD12 LEU 59 7.505 10.425 8.709
403 HD13 LEU 869 HD13 LEU 59 7.703 9.614 10.266
404 HD21 LEU 869 HD21 LEU 59 8.259 10.992 12.321
405 HD22 LEU 869 HD22 LEU 59 8.792 12.666 12.107
406 HD23 LEU 869 HD23 LEU 59 9.782 11.311 11.496
407 H GLU 870 H GLU 60 8.780 13.451 6.305
408 HA GLU 870 HA GLU 60 9.577 16.339 6.252
409 HB2 GLU 870 HB2 GLU 60 10.366 14.691 4.460
410 HB3 GLU 870 HB3 GLU 60 8.706 14.523 4.005
411 HG2 GLU 870 HG2 GLU 60 9.478 16.000 2.491
412 HG3 GLU 870 HG3 GLU 60 8.680 17.075 3.632
413 HA PRO 871 HA PRO 61 5.030 16.985 6.471
414 HB2 PRO 871 HB2 PRO 61 4.994 19.690 6.808
415 HB3 PRO 871 HB3 PRO 61 5.399 18.570 8.130
416 HG2 PRO 871 HG2 PRO 61 7.290 20.152 6.382
417 HG3 PRO 871 HG3 PRO 61 7.366 19.894 8.152
418 HD2 PRO 871 HD2 PRO 61 8.826 18.452 6.292
419 HD3 PRO 871 HD3 PRO 61 8.361 17.796 7.884
420 H ILE 872 H ILE 62 3.538 17.549 4.818
421 HA ILE 872 HA ILE 62 4.666 18.878 2.392
422 HB ILE 872 HB ILE 62 2.683 16.646 2.267
423 HG12 ILE 872 HG12 ILE 62 4.681 15.621 3.361
424 HG13 ILE 872 HG13 ILE 62 4.308 14.950 1.801
425 HG21 ILE 872 HG21 ILE 62 2.925 18.185 0.342
426 HG22 ILE 872 HG22 ILE 62 3.454 16.552 -0.091
427 HG23 ILE 872 HG23 ILE 62 4.644 17.825 0.238
428 HD11 ILE 872 HD11 ILE 62 6.142 16.095 0.745
429 HD12 ILE 872 HD12 ILE 62 6.745 15.325 2.228
430 HD13 ILE 872 HD13 ILE 62 6.437 17.075 2.197
431 H TYR 873 H TYR 63 3.701 20.647 2.155
432 HA TYR 873 HA TYR 63 1.082 21.206 3.337
433 HB2 TYR 873 HB2 TYR 63 3.277 23.053 2.337
434 HB3 TYR 873 HB3 TYR 63 1.778 23.571 3.075
435 HD1 TYR 873 HD1 TYR 63 5.175 22.593 3.746
436 HD2 TYR 873 HD2 TYR 63 1.213 22.735 5.451
437 HE1 TYR 873 HE1 TYR 63 6.150 22.472 6.026
438 HE2 TYR 873 HE2 TYR 63 2.189 22.597 7.733
439 HH TYR 873 HH TYR 63 5.731 22.566 8.303
440 H ARG 874 H ARG 64 1.669 19.861 0.658
441 HA ARG 874 HA ARG 64 -0.292 21.260 -0.998
442 HB2 ARG 874 HB2 ARG 64 1.254 21.481 -2.913
443 HB3 ARG 874 HB3 ARG 64 1.657 22.525 -1.545
444 HG2 ARG 874 HG2 ARG 64 3.521 21.064 -0.908
445 HG3 ARG 874 HG3 ARG 64 3.078 19.902 -2.176
446 HD2 ARG 874 HD2 ARG 64 3.424 21.628 -3.887
447 HD3 ARG 874 HD3 ARG 64 3.863 22.795 -2.617
448 HE ARG 874 HE ARG 64 5.542 20.487 -2.409
449 HH11 ARG 874 HH11 ARG 64 7.651 20.494 -3.106
450 HH12 ARG 874 HH12 ARG 64 8.185 21.673 -4.269
451 HH21 ARG 874 HH21 ARG 64 5.136 23.223 -4.566
452 HH22 ARG 874 HH22 ARG 64 6.802 23.183 -5.074
453 H1 ALA 1 H1 ALA 65 1.885 5.665 3.788
454 H2 ALA 1 H2 ALA 65 1.662 4.716 5.118
455 H3 ALA 1 H3 ALA 65 0.366 5.411 4.374
456 HA ALA 1 HA ALA 65 2.131 3.402 3.209
457 HB1 ALA 1 HB1 ALA 65 0.745 2.392 4.935
458 HB2 ALA 1 HB2 ALA 65 0.192 1.877 3.332
459 HB3 ALA 1 HB3 ALA 65 -0.715 3.115 4.233
460 H ARG 2 H ARG 66 2.279 3.595 1.117
461 HA ARG 2 HA ARG 66 0.661 5.265 -0.511
462 HB2 ARG 2 HB2 ARG 66 1.846 4.482 -2.380
463 HB3 ARG 2 HB3 ARG 66 2.980 4.561 -1.065
464 HG2 ARG 2 HG2 ARG 66 1.776 2.095 -2.378
465 HG3 ARG 2 HG3 ARG 66 3.456 2.602 -2.373
466 HD2 ARG 2 HD2 ARG 66 3.697 2.062 -0.014
467 HD3 ARG 2 HD3 ARG 66 1.984 1.641 0.129
468 HE ARG 2 HE ARG 66 4.122 0.010 -0.939
469 HH11 ARG 2 HH11 ARG 66 0.360 -1.232 -1.514
470 HH12 ARG 2 HH12 ARG 66 0.606 0.438 -1.073
471 HH21 ARG 2 HH21 ARG 66 3.703 -2.049 -1.547
472 HH22 ARG 2 HH22 ARG 66 2.070 -2.611 -1.786
473 H THR 3 H THR 67 -1.231 5.112 -1.269
474 HA THR 3 HA THR 67 -2.399 2.555 -2.280
475 HB THR 3 HB THR 67 -4.633 3.462 -1.690
476 HG1 THR 3 HG1 THR 67 -4.773 5.265 -0.390
477 HG21 THR 3 HG21 THR 67 -3.428 1.947 -0.087
478 HG22 THR 3 HG22 THR 67 -4.572 3.056 0.688
479 HG23 THR 3 HG23 THR 67 -2.830 3.386 0.768
480 HH31 ALY 4 H26 ALY 68 4.360 12.557 -6.712
481 HH32 ALY 4 H27 ALY 68 3.696 12.403 -5.070
482 HH33 ALY 4 H28 ALY 68 2.965 13.543 -6.230
483 HZ ALY 4 HZ1 ALY 68 1.172 12.065 -5.220
484 HE3 ALY 4 HE3 ALY 68 -0.672 10.878 -6.029
485 HE2 ALY 4 HE2 ALY 68 0.313 10.196 -7.335
486 HD3 ALY 4 HD3 ALY 68 1.452 8.712 -5.677
487 HD2 ALY 4 HD2 ALY 68 0.449 9.406 -4.388
488 HG3 ALY 4 HG3 ALY 68 -1.599 8.610 -5.579
489 HG2 ALY 4 HG2 ALY 68 -0.568 7.854 -6.808
490 HB3 ALY 4 HB3 ALY 68 0.485 6.440 -5.033
491 HB2 ALY 4 HB2 ALY 68 -0.502 7.246 -3.816
492 HCA ALY 4 HA ALY 68 -2.563 6.414 -5.102
493 H ALY 4 H ALY 68 -0.747 4.859 -3.443
494 H GLN 5 H GLN 69 -3.338 4.303 -6.082
495 HA GLN 5 HA GLN 69 -1.741 2.868 -7.977
496 HB2 GLN 5 HB2 GLN 69 -3.683 1.902 -6.864
497 HB3 GLN 5 HB3 GLN 69 -4.750 3.108 -7.580
498 HG2 GLN 5 HG2 GLN 69 -4.973 0.946 -8.707
499 HG3 GLN 5 HG3 GLN 69 -4.411 2.184 -9.813
500 HE21 GLN 5 HE21 GLN 69 -2.925 1.295 -11.239
501 HE22 GLN 5 HE22 GLN 69 -1.733 0.072 -10.786
502 H THR 6 H THR 70 -1.173 3.323 -10.021
503 HA THR 6 HA THR 70 -2.194 5.677 -11.437
504 HB THR 6 HB THR 70 0.189 4.995 -11.517
505 HG1 THR 6 HG1 THR 70 0.361 5.537 -13.674
506 HG21 THR 6 HG21 THR 70 -0.737 2.811 -13.435
507 HG22 THR 6 HG22 THR 70 -0.080 2.524 -11.809
508 HG23 THR 6 HG23 THR 70 0.937 3.261 -13.054
509 H ALA 7 H ALA 71 -3.082 5.609 -13.630
510 HA ALA 7 HA ALA 71 -5.381 3.898 -13.775
511 HB1 ALA 7 HB1 ALA 71 -4.174 5.786 -15.838
512 HB2 ALA 7 HB2 ALA 71 -5.376 6.211 -14.593
513 HB3 ALA 7 HB3 ALA 71 -5.801 5.082 -15.896
514 H ARG 8 H ARG 72 -5.941 2.291 -15.223
515 HA ARG 8 HA ARG 72 -3.871 0.476 -16.102
516 HB2 ARG 8 HB2 ARG 72 -5.624 -0.970 -16.816
517 HB3 ARG 8 HB3 ARG 72 -6.024 -0.308 -15.235
518 HG2 ARG 8 HG2 ARG 72 -7.568 1.339 -16.358
519 HG3 ARG 8 HG3 ARG 72 -7.221 0.565 -17.916
520 HD2 ARG 8 HD2 ARG 72 -8.414 -0.831 -15.488
521 HD3 ARG 8 HD3 ARG 72 -9.346 -0.192 -16.855
522 HE ARG 8 HE ARG 72 -7.463 -1.893 -18.006
523 HH11 ARG 8 HH11 ARG 72 -7.820 -4.020 -18.544
524 HH12 ARG 8 HH12 ARG 72 -9.096 -4.911 -17.769
525 HH21 ARG 8 HH21 ARG 72 -10.128 -2.313 -15.778
526 HH22 ARG 8 HH22 ARG 72 -10.375 -3.978 -16.236
Start of MODEL 15
1 H1 GLY 811 H1 GLY 1 -6.128 27.839 5.782
2 H2 GLY 811 H2 GLY 1 -7.188 26.832 5.045
3 H3 GLY 811 H3 GLY 1 -7.541 28.425 5.198
4 HA2 GLY 811 HA2 GLY 1 -6.898 27.969 2.926
5 HA3 GLY 811 HA3 GLY 1 -5.744 29.052 3.724
6 HA PRO 812 HA PRO 2 -3.283 25.723 1.677
7 HB2 PRO 812 HB2 PRO 2 -1.344 28.031 1.651
8 HB3 PRO 812 HB3 PRO 2 -1.661 26.794 0.388
9 HG2 PRO 812 HG2 PRO 2 -2.712 29.268 0.133
10 HG3 PRO 812 HG3 PRO 2 -3.746 27.837 -0.197
11 HD2 PRO 812 HD2 PRO 2 -3.592 29.485 2.351
12 HD3 PRO 812 HD3 PRO 2 -5.037 28.958 1.426
13 H LEU 813 H LEU 3 -1.076 24.886 2.120
14 HA LEU 813 HA LEU 3 0.415 23.840 3.432
15 HB2 LEU 813 HB2 LEU 3 0.282 26.141 5.386
16 HB3 LEU 813 HB3 LEU 3 1.580 24.978 5.188
17 HG LEU 813 HG LEU 3 0.788 27.107 3.151
18 HD11 LEU 813 HD11 LEU 3 1.800 28.013 5.197
19 HD12 LEU 813 HD12 LEU 3 2.888 28.172 3.806
20 HD13 LEU 813 HD13 LEU 3 3.175 26.898 5.017
21 HD21 LEU 813 HD21 LEU 3 1.777 25.153 2.024
22 HD22 LEU 813 HD22 LEU 3 3.133 25.154 3.180
23 HD23 LEU 813 HD23 LEU 3 2.924 26.500 2.040
24 H GLY 814 H GLY 4 -2.506 24.811 5.080
25 HA2 GLY 814 HA2 GLY 4 -2.342 22.448 6.904
26 HA3 GLY 814 HA3 GLY 4 -3.370 23.862 7.110
27 H SER 815 H SER 5 -3.542 22.910 3.850
28 HA SER 815 HA SER 5 -5.899 21.192 4.321
29 HB2 SER 815 HB2 SER 5 -6.474 23.638 4.337
30 HB3 SER 815 HB3 SER 5 -6.025 23.696 2.628
31 HG SER 815 HG SER 5 -7.668 22.164 2.201
32 H VAL 816 H VAL 6 -3.214 20.625 3.002
33 HA VAL 816 HA VAL 6 -3.718 20.144 0.212
34 HB VAL 816 HB VAL 6 -1.704 19.042 2.199
35 HG11 VAL 816 HG11 VAL 6 -1.677 17.579 0.360
36 HG12 VAL 816 HG12 VAL 6 -0.235 18.601 0.328
37 HG13 VAL 816 HG13 VAL 6 -1.561 18.960 -0.796
38 HG21 VAL 816 HG21 VAL 6 -1.361 21.239 0.118
39 HG22 VAL 816 HG22 VAL 6 -0.186 20.711 1.356
40 HG23 VAL 816 HG23 VAL 6 -1.628 21.567 1.846
41 H GLN 817 H GLN 7 -4.099 18.087 -0.807
42 HA GLN 817 HA GLN 7 -5.288 15.991 0.981
43 HB2 GLN 817 HB2 GLN 7 -7.119 15.824 -0.724
44 HB3 GLN 817 HB3 GLN 7 -7.161 17.219 0.361
45 HG2 GLN 817 HG2 GLN 7 -6.802 18.764 -1.250
46 HG3 GLN 817 HG3 GLN 7 -5.814 17.708 -2.220
47 HE21 GLN 817 HE21 GLN 7 -7.324 15.606 -3.072
48 HE22 GLN 817 HE22 GLN 7 -8.814 16.188 -3.800
49 H HIS 818 H HIS 8 -4.380 14.119 0.673
50 HA HIS 818 HA HIS 8 -3.591 13.285 -2.119
51 HB2 HIS 818 HB2 HIS 8 -2.279 12.784 0.563
52 HB3 HIS 818 HB3 HIS 8 -2.019 11.755 -0.851
53 HD2 HIS 818 HD2 HIS 8 -0.606 14.889 0.651
54 HE1 HIS 818 HE1 HIS 8 0.453 15.059 -3.476
55 HE2 HIS 818 HE2 HIS 8 0.836 16.094 -1.223
56 H VAL 819 H VAL 9 -5.654 12.549 -2.545
57 HA VAL 819 HA VAL 9 -6.999 10.574 -0.943
58 HB VAL 819 HB VAL 9 -7.720 11.408 -3.738
59 HG11 VAL 819 HG11 VAL 9 -8.736 9.261 -3.011
60 HG12 VAL 819 HG12 VAL 9 -9.949 10.548 -2.979
61 HG13 VAL 819 HG13 VAL 9 -9.193 9.991 -1.465
62 HG21 VAL 819 HG21 VAL 9 -9.404 12.825 -2.575
63 HG22 VAL 819 HG22 VAL 9 -7.766 13.360 -2.204
64 HG23 VAL 819 HG23 VAL 9 -8.675 12.409 -1.008
65 H GLY 820 H GLY 10 -5.217 9.236 -0.708
66 HA2 GLY 820 HA2 GLY 10 -5.262 6.715 -1.630
67 HA3 GLY 820 HA3 GLY 10 -4.340 7.500 -2.916
68 H PHE 821 H PHE 11 -3.687 9.000 0.140
69 HA PHE 821 HA PHE 11 -1.411 7.076 0.639
70 HB2 PHE 821 HB2 PHE 11 -1.304 10.066 1.083
71 HB3 PHE 821 HB3 PHE 11 -0.053 8.890 1.480
72 HD1 PHE 821 HD1 PHE 11 -0.280 7.289 -1.261
73 HD2 PHE 821 HD2 PHE 11 0.253 11.411 -0.139
74 HE1 PHE 821 HE1 PHE 11 0.729 7.754 -3.462
75 HE2 PHE 821 HE2 PHE 11 1.210 11.895 -2.374
76 HZ PHE 821 HZ PHE 11 1.441 10.077 -4.046
77 H LYS 822 H LYS 12 -2.404 5.883 2.084
78 HA LYS 822 HA LYS 12 -4.105 6.918 4.231
79 HB2 LYS 822 HB2 LYS 12 -4.726 4.932 3.072
80 HB3 LYS 822 HB3 LYS 12 -3.169 4.314 3.110
81 HG2 LYS 822 HG2 LYS 12 -4.478 4.517 5.819
82 HG3 LYS 822 HG3 LYS 12 -5.295 3.541 4.627
83 HD2 LYS 822 HD2 LYS 12 -3.057 2.325 4.229
84 HD3 LYS 822 HD3 LYS 12 -2.494 3.133 5.721
85 HE2 LYS 822 HE2 LYS 12 -4.481 2.102 6.900
86 HE3 LYS 822 HE3 LYS 12 -4.902 1.288 5.386
87 HZ1 LYS 822 HZ1 LYS 12 -2.790 0.077 5.493
88 HZ2 LYS 822 HZ2 LYS 12 -3.642 -0.184 6.852
89 HZ3 LYS 822 HZ3 LYS 12 -2.361 0.823 6.891
90 H CYS 823 H CYS 13 -3.647 6.991 6.391
91 HA CYS 823 HA CYS 13 -0.903 7.189 7.263
92 HB2 CYS 823 HB2 CYS 13 -2.723 8.648 8.056
93 HB3 CYS 823 HB3 CYS 13 -3.517 7.212 8.741
94 H ASP 824 H ASP 14 0.254 5.854 8.403
95 HA ASP 824 HA ASP 14 -0.576 3.038 8.836
96 HB2 ASP 824 HB2 ASP 14 2.068 4.524 9.080
97 HB3 ASP 824 HB3 ASP 14 1.852 2.855 9.588
98 H ASN 825 H ASN 15 -0.137 5.951 10.710
99 HA ASN 825 HA ASN 15 -0.229 4.583 13.323
100 HB2 ASN 825 HB2 ASN 15 0.732 6.833 13.153
101 HB3 ASN 825 HB3 ASN 15 -0.840 7.470 12.612
102 HD21 ASN 825 HD21 ASN 15 -1.289 8.843 14.299
103 HD22 ASN 825 HD22 ASN 15 -1.472 8.278 15.959
104 H CYS 826 H CYS 16 -2.731 6.557 11.576
105 HA CYS 826 HA CYS 16 -4.841 5.757 13.369
106 HB2 CYS 826 HB2 CYS 16 -4.641 7.184 10.703
107 HB3 CYS 826 HB3 CYS 16 -6.170 7.039 11.597
108 H GLY 827 H GLY 17 -4.000 5.078 10.059
109 HA2 GLY 827 HA2 GLY 17 -4.649 3.327 8.731
110 HA3 GLY 827 HA3 GLY 17 -6.008 2.949 9.783
111 H ILE 828 H ILE 18 -5.798 6.380 9.348
112 HA ILE 828 HA ILE 18 -8.143 6.616 7.805
113 HB ILE 828 HB ILE 18 -7.434 8.427 9.197
114 HG12 ILE 828 HG12 ILE 18 -7.235 9.250 6.247
115 HG13 ILE 828 HG13 ILE 18 -8.731 8.824 7.034
116 HG21 ILE 828 HG21 ILE 18 -5.040 8.465 9.216
117 HG22 ILE 828 HG22 ILE 18 -5.517 9.956 8.518
118 HG23 ILE 828 HG23 ILE 18 -4.934 8.673 7.460
119 HD11 ILE 828 HD11 ILE 18 -8.360 10.727 8.660
120 HD12 ILE 828 HD12 ILE 18 -8.626 11.192 6.958
121 HD13 ILE 828 HD13 ILE 18 -6.993 11.249 7.644
122 H GLU 829 H GLU 19 -8.519 6.724 5.724
123 HA GLU 829 HA GLU 19 -6.613 5.326 4.056
124 HB2 GLU 829 HB2 GLU 19 -9.329 6.411 3.686
125 HB3 GLU 829 HB3 GLU 19 -8.442 5.927 2.270
126 HG2 GLU 829 HG2 GLU 19 -8.183 3.629 3.197
127 HG3 GLU 829 HG3 GLU 19 -8.962 4.134 4.699
128 HA PRO 830 HA PRO 20 -5.039 9.029 2.447
129 HB2 PRO 830 HB2 PRO 20 -6.448 10.523 1.008
130 HB3 PRO 830 HB3 PRO 20 -6.776 8.809 0.850
131 HG2 PRO 830 HG2 PRO 20 -8.410 10.905 2.262
132 HG3 PRO 830 HG3 PRO 20 -8.937 9.487 1.314
133 HD2 PRO 830 HD2 PRO 20 -8.442 9.673 4.183
134 HD3 PRO 830 HD3 PRO 20 -8.923 8.273 3.202
135 H ILE 831 H ILE 21 -3.757 10.335 3.318
136 HA ILE 831 HA ILE 21 -4.409 11.901 5.587
137 HB ILE 831 HB ILE 21 -1.911 11.693 3.904
138 HG12 ILE 831 HG12 ILE 21 -2.461 10.588 6.707
139 HG13 ILE 831 HG13 ILE 21 -2.888 9.702 5.299
140 HG21 ILE 831 HG21 ILE 21 -2.336 13.236 6.494
141 HG22 ILE 831 HG22 ILE 21 -1.731 13.875 4.959
142 HG23 ILE 831 HG23 ILE 21 -0.732 12.775 5.901
143 HD11 ILE 831 HD11 ILE 21 -0.688 9.015 6.099
144 HD12 ILE 831 HD12 ILE 21 -0.058 10.646 5.846
145 HD13 ILE 831 HD13 ILE 21 -0.612 9.689 4.459
146 H GLN 832 H GLN 22 -4.734 13.915 6.020
147 HA GLN 832 HA GLN 22 -5.013 15.889 3.806
148 HB2 GLN 832 HB2 GLN 22 -6.437 15.814 6.492
149 HB3 GLN 832 HB3 GLN 22 -6.738 16.925 5.159
150 HG2 GLN 832 HG2 GLN 22 -7.277 13.918 5.170
151 HG3 GLN 832 HG3 GLN 22 -8.474 15.189 5.306
152 HE21 GLN 832 HE21 GLN 22 -7.319 13.011 3.130
153 HE22 GLN 832 HE22 GLN 22 -7.722 13.896 1.657
154 H GLY 833 H GLY 23 -4.075 17.828 3.978
155 HA2 GLY 833 HA2 GLY 23 -3.560 19.783 5.349
156 HA3 GLY 833 HA3 GLY 23 -2.855 18.740 6.550
157 H VAL 834 H VAL 24 -1.158 17.243 5.596
158 HA VAL 834 HA VAL 24 0.708 18.248 3.617
159 HB VAL 834 HB VAL 24 1.064 19.532 5.743
160 HG11 VAL 834 HG11 VAL 24 1.937 16.939 6.982
161 HG12 VAL 834 HG12 VAL 24 0.419 17.812 7.339
162 HG13 VAL 834 HG13 VAL 24 1.981 18.564 7.710
163 HG21 VAL 834 HG21 VAL 24 3.016 19.237 4.289
164 HG22 VAL 834 HG22 VAL 24 3.351 17.640 5.020
165 HG23 VAL 834 HG23 VAL 24 3.525 19.127 5.968
166 H ARG 835 H ARG 25 1.894 16.400 2.824
167 HA ARG 835 HA ARG 25 1.102 13.755 3.991
168 HB2 ARG 835 HB2 ARG 25 1.325 14.043 1.485
169 HB3 ARG 835 HB3 ARG 25 3.036 14.370 1.730
170 HG2 ARG 835 HG2 ARG 25 3.228 12.084 2.833
171 HG3 ARG 835 HG3 ARG 25 1.574 11.778 2.295
172 HD2 ARG 835 HD2 ARG 25 2.355 12.184 -0.082
173 HD3 ARG 835 HD3 ARG 25 4.006 12.367 0.542
174 HE ARG 835 HE ARG 25 3.104 9.976 1.637
175 HH11 ARG 835 HH11 ARG 25 3.885 10.921 -1.663
176 HH12 ARG 835 HH12 ARG 25 4.271 9.270 -2.068
177 HH21 ARG 835 HH21 ARG 25 3.545 8.114 1.126
178 HH22 ARG 835 HH22 ARG 25 4.167 7.652 -0.446
179 H TRP 836 H TRP 26 2.416 12.666 5.453
180 HA TRP 836 HA TRP 26 5.218 13.677 5.787
181 HB2 TRP 836 HB2 TRP 26 3.528 12.234 7.848
182 HB3 TRP 836 HB3 TRP 26 5.223 12.445 7.922
183 HD1 TRP 836 HD1 TRP 26 2.152 14.592 8.328
184 HE1 TRP 836 HE1 TRP 26 2.909 16.851 9.396
185 HE3 TRP 836 HE3 TRP 26 7.150 14.243 7.538
186 HZ2 TRP 836 HZ2 TRP 26 5.383 18.091 10.137
187 HZ3 TRP 836 HZ3 TRP 26 8.731 15.850 8.551
188 HH2 TRP 836 HH2 TRP 26 7.869 17.776 9.882
189 H HIS 837 H HIS 27 6.139 12.597 4.153
190 HA HIS 837 HA HIS 27 5.678 9.665 3.777
191 HB2 HIS 837 HB2 HIS 27 5.626 11.020 1.777
192 HB3 HIS 837 HB3 HIS 27 7.151 11.812 2.199
193 HD2 HIS 837 HD2 HIS 27 9.270 10.836 1.133
194 HE1 HIS 837 HE1 HIS 27 7.866 6.942 0.100
195 HE2 HIS 837 HE2 HIS 27 9.838 8.546 -0.051
196 H CYS 838 H CYS 28 6.860 8.268 4.869
197 HA CYS 838 HA CYS 28 9.159 8.869 6.373
198 HB2 CYS 838 HB2 CYS 28 7.797 6.410 5.354
199 HB3 CYS 838 HB3 CYS 28 9.473 6.272 5.915
200 H GLN 839 H GLN 29 11.258 9.085 5.981
201 HA GLN 839 HA GLN 29 12.164 9.148 3.217
202 HB2 GLN 839 HB2 GLN 29 13.584 9.701 5.843
203 HB3 GLN 839 HB3 GLN 29 14.314 9.915 4.267
204 HG2 GLN 839 HG2 GLN 29 11.875 11.308 4.023
205 HG3 GLN 839 HG3 GLN 29 12.382 11.669 5.662
206 HE21 GLN 839 HE21 GLN 29 13.316 11.962 2.217
207 HE22 GLN 839 HE22 GLN 29 14.467 13.251 2.532
208 H ASP 840 H ASP 30 12.815 7.043 6.029
209 HA ASP 840 HA ASP 30 14.973 5.648 4.534
210 HB2 ASP 840 HB2 ASP 30 15.314 6.412 6.840
211 HB3 ASP 840 HB3 ASP 30 13.988 5.379 7.378
212 H CYS 841 H CYS 31 11.686 5.002 5.769
213 HA CYS 841 HA CYS 31 11.755 2.204 5.384
214 HB2 CYS 841 HB2 CYS 31 9.353 4.051 5.346
215 HB3 CYS 841 HB3 CYS 31 9.324 2.303 5.476
216 HA PRO 842 HA PRO 32 12.130 1.998 1.065
217 HB2 PRO 842 HB2 PRO 32 10.562 -0.564 0.990
218 HB3 PRO 842 HB3 PRO 32 12.231 -0.240 0.428
219 HG2 PRO 842 HG2 PRO 32 11.768 -1.586 2.739
220 HG3 PRO 842 HG3 PRO 32 13.076 -0.366 2.661
221 HD2 PRO 842 HD2 PRO 32 10.256 -0.019 3.720
222 HD3 PRO 842 HD3 PRO 32 11.801 0.427 4.469
223 HA PRO 843 HA PRO 33 8.472 3.452 -1.163
224 HB2 PRO 843 HB2 PRO 33 9.676 1.883 -3.464
225 HB3 PRO 843 HB3 PRO 33 8.962 3.526 -3.473
226 HG2 PRO 843 HG2 PRO 33 11.647 3.248 -3.411
227 HG3 PRO 843 HG3 PRO 33 10.867 4.420 -2.295
228 HD2 PRO 843 HD2 PRO 33 11.803 1.595 -1.711
229 HD3 PRO 843 HD3 PRO 33 12.068 3.095 -0.770
230 H GLU 844 H GLU 34 9.382 0.046 -1.422
231 HA GLU 844 HA GLU 34 6.967 -1.140 -2.275
232 HB2 GLU 844 HB2 GLU 34 9.150 -2.258 -2.057
233 HB3 GLU 844 HB3 GLU 34 9.067 -2.143 -0.290
234 HG2 GLU 844 HG2 GLU 34 7.128 -3.634 -0.235
235 HG3 GLU 844 HG3 GLU 34 7.046 -3.660 -1.996
236 H MET 845 H MET 35 7.865 0.034 0.924
237 HA MET 845 HA MET 35 5.287 -0.850 2.145
238 HB2 MET 845 HB2 MET 35 7.770 0.452 3.329
239 HB3 MET 845 HB3 MET 35 6.320 -0.006 4.238
240 HG2 MET 845 HG2 MET 35 8.036 -1.968 2.668
241 HG3 MET 845 HG3 MET 35 8.241 -1.621 4.377
242 HE1 MET 845 HE1 MET 35 5.202 -3.255 6.111
243 HE2 MET 845 HE2 MET 35 5.420 -1.533 5.743
244 HE3 MET 845 HE3 MET 35 6.796 -2.506 6.304
245 H SER 846 H SER 36 7.161 2.132 1.515
246 HA SER 846 HA SER 36 6.701 4.354 1.689
247 HB2 SER 846 HB2 SER 36 5.785 3.842 -0.476
248 HB3 SER 846 HB3 SER 36 4.238 3.361 0.233
249 HG SER 846 HG SER 36 3.922 5.508 0.912
250 H LEU 847 H LEU 37 6.613 4.189 4.075
251 HA LEU 847 HA LEU 37 3.973 4.081 5.322
252 HB2 LEU 847 HB2 LEU 37 6.786 4.309 6.389
253 HB3 LEU 847 HB3 LEU 37 5.454 4.733 7.420
254 HG LEU 847 HG LEU 37 4.664 2.263 6.146
255 HD11 LEU 847 HD11 LEU 37 7.541 2.122 6.959
256 HD12 LEU 847 HD12 LEU 37 6.885 1.939 5.332
257 HD13 LEU 847 HD13 LEU 37 6.493 0.736 6.590
258 HD21 LEU 847 HD21 LEU 37 5.836 1.884 8.784
259 HD22 LEU 847 HD22 LEU 37 4.294 1.410 8.124
260 HD23 LEU 847 HD23 LEU 37 4.512 3.078 8.679
261 H ASP 848 H ASP 38 2.863 5.735 6.459
262 HA ASP 848 HA ASP 38 3.665 8.478 5.836
263 HB2 ASP 848 HB2 ASP 38 1.056 7.370 4.764
264 HB3 ASP 848 HB3 ASP 38 1.557 9.051 4.782
265 H PHE 849 H PHE 39 2.586 10.056 6.996
266 HA PHE 849 HA PHE 39 0.619 9.173 9.045
267 HB2 PHE 849 HB2 PHE 39 3.115 10.790 9.756
268 HB3 PHE 849 HB3 PHE 39 1.862 10.216 10.796
269 HD1 PHE 849 HD1 PHE 39 1.703 7.976 11.551
270 HD2 PHE 849 HD2 PHE 39 4.731 9.024 8.645
271 HE1 PHE 849 HE1 PHE 39 2.760 5.743 11.825
272 HE2 PHE 849 HE2 PHE 39 5.730 6.872 8.919
273 HZ PHE 849 HZ PHE 39 4.791 5.157 10.506
274 H CYS 850 H CYS 40 -0.868 10.707 9.792
275 HA CYS 850 HA CYS 40 -1.324 13.053 8.313
276 HB2 CYS 850 HB2 CYS 40 -2.163 12.500 11.185
277 HB3 CYS 850 HB3 CYS 40 -2.954 13.586 10.055
278 H ASP 851 H ASP 41 -1.482 15.273 9.257
279 HA ASP 851 HA ASP 41 0.957 16.441 9.979
280 HB2 ASP 851 HB2 ASP 41 -0.286 18.411 10.387
281 HB3 ASP 851 HB3 ASP 41 -0.999 17.609 9.004
282 H SER 852 H SER 42 -1.407 14.934 12.061
283 HA SER 852 HA SER 42 -0.112 15.787 14.549
284 HB2 SER 852 HB2 SER 42 -2.559 15.624 14.413
285 HB3 SER 852 HB3 SER 42 -2.435 13.897 14.027
286 HG SER 852 HG SER 42 -2.828 14.306 16.287
287 H CYS 853 H CYS 43 -0.494 12.768 12.608
288 HA CYS 853 HA CYS 43 0.540 11.049 14.595
289 HB2 CYS 853 HB2 CYS 43 0.001 10.781 11.634
290 HB3 CYS 853 HB3 CYS 43 0.306 9.440 12.750
291 H SER 854 H SER 44 2.034 12.893 12.076
292 HA SER 854 HA SER 44 4.521 11.548 11.695
293 HB2 SER 854 HB2 SER 44 5.244 13.718 10.918
294 HB3 SER 854 HB3 SER 44 3.562 13.463 10.438
295 HG SER 854 HG SER 44 3.952 15.574 11.378
296 H ASP 855 H ASP 45 3.256 13.259 14.455
297 HA ASP 855 HA ASP 45 5.865 13.361 15.814
298 HB2 ASP 855 HB2 ASP 45 4.267 15.338 15.796
299 HB3 ASP 855 HB3 ASP 45 3.170 14.375 16.782
300 H CYS 856 H CYS 46 3.318 11.163 15.418
301 HA CYS 856 HA CYS 46 3.160 10.204 18.154
302 HB2 CYS 856 HB2 CYS 46 1.288 10.171 16.440
303 HB3 CYS 856 HB3 CYS 46 2.145 8.855 15.612
304 HG CYS 856 HG CYS 46 2.235 7.240 17.706
305 H LEU 857 H LEU 47 5.098 9.486 15.385
306 HA LEU 857 HA LEU 47 6.875 8.176 15.021
307 HB2 LEU 857 HB2 LEU 47 7.528 9.783 16.799
308 HB3 LEU 857 HB3 LEU 47 7.282 8.542 18.013
309 HG LEU 857 HG LEU 47 9.133 7.231 17.229
310 HD11 LEU 857 HD11 LEU 47 9.076 9.039 14.780
311 HD12 LEU 857 HD12 LEU 47 8.941 7.252 14.858
312 HD13 LEU 857 HD13 LEU 47 10.483 8.063 15.206
313 HD21 LEU 857 HD21 LEU 47 10.980 8.841 17.416
314 HD22 LEU 857 HD22 LEU 47 9.689 9.261 18.542
315 HD23 LEU 857 HD23 LEU 47 9.879 10.185 17.035
316 H HIS 858 H HIS 48 5.426 6.466 14.455
317 HA HIS 858 HA HIS 48 5.252 4.154 16.286
318 HB2 HIS 858 HB2 HIS 48 3.167 4.972 15.233
319 HB3 HIS 858 HB3 HIS 48 3.885 4.768 13.637
320 HD2 HIS 858 HD2 HIS 48 2.954 2.666 12.474
321 HE1 HIS 858 HE1 HIS 48 2.509 0.071 15.827
322 HE2 HIS 858 HE2 HIS 48 2.229 0.272 13.307
323 H GLU 859 H GLU 49 5.676 1.954 15.307
324 HA GLU 859 HA GLU 49 7.747 1.947 13.238
325 HB2 GLU 859 HB2 GLU 49 8.231 0.585 15.922
326 HB3 GLU 859 HB3 GLU 49 9.364 0.790 14.629
327 HG2 GLU 859 HG2 GLU 49 9.367 3.270 15.031
328 HG3 GLU 859 HG3 GLU 49 8.244 3.001 16.354
329 H THR 860 H THR 50 8.234 -0.111 12.283
330 HA THR 860 HA THR 50 6.303 -2.294 13.003
331 HB THR 860 HB THR 50 5.698 -2.748 10.818
332 HG1 THR 860 HG1 THR 50 6.651 -1.763 9.033
333 HG21 THR 860 HG21 THR 50 4.687 -0.721 9.908
334 HG22 THR 860 HG22 THR 50 5.689 0.310 10.951
335 HG23 THR 860 HG23 THR 50 4.498 -0.763 11.677
336 H ASP 861 H ASP 51 7.311 -3.974 10.888
337 HA ASP 861 HA ASP 51 9.634 -5.167 12.177
338 HB2 ASP 861 HB2 ASP 51 8.129 -5.865 9.696
339 HB3 ASP 861 HB3 ASP 51 9.424 -6.825 10.379
340 H ILE 862 H ILE 52 8.996 -2.986 9.587
341 HA ILE 862 HA ILE 52 11.825 -2.989 8.762
342 HB ILE 862 HB ILE 52 9.334 -2.185 7.259
343 HG12 ILE 862 HG12 ILE 52 11.539 -4.287 6.976
344 HG13 ILE 862 HG13 ILE 52 9.836 -4.581 7.338
345 HG21 ILE 862 HG21 ILE 52 10.947 -0.426 6.874
346 HG22 ILE 862 HG22 ILE 52 11.015 -1.498 5.481
347 HG23 ILE 862 HG23 ILE 52 12.275 -1.592 6.752
348 HD11 ILE 862 HD11 ILE 52 10.198 -5.148 5.073
349 HD12 ILE 862 HD12 ILE 52 10.976 -3.586 4.734
350 HD13 ILE 862 HD13 ILE 52 9.229 -3.655 5.127
351 H HIS 863 H HIS 53 8.985 -0.965 9.620
352 HA HIS 863 HA HIS 53 10.473 1.490 9.363
353 HB2 HIS 863 HB2 HIS 53 8.259 1.734 8.889
354 HB3 HIS 863 HB3 HIS 53 7.677 0.642 10.040
355 HD1 HIS 863 HD1 HIS 53 9.569 3.126 12.138
356 HD2 HIS 863 HD2 HIS 53 6.333 3.518 11.100
357 HE1 HIS 863 HE1 HIS 53 9.369 5.411 11.247
358 H LYS 864 H LYS 54 11.637 2.506 10.836
359 HA LYS 864 HA LYS 54 11.042 1.941 13.701
360 HB2 LYS 864 HB2 LYS 54 13.824 2.057 12.473
361 HB3 LYS 864 HB3 LYS 54 13.392 1.865 14.150
362 HG2 LYS 864 HG2 LYS 54 12.628 -0.178 11.940
363 HG3 LYS 864 HG3 LYS 54 14.041 -0.310 12.917
364 HD2 LYS 864 HD2 LYS 54 12.649 -0.517 14.986
365 HD3 LYS 864 HD3 LYS 54 11.224 -0.375 14.041
366 HE2 LYS 864 HE2 LYS 54 11.412 -2.655 14.233
367 HE3 LYS 864 HE3 LYS 54 12.030 -2.354 12.620
368 HZ1 LYS 864 HZ1 LYS 54 13.471 -3.885 13.871
369 HZ2 LYS 864 HZ2 LYS 54 13.723 -2.783 15.046
370 HZ3 LYS 864 HZ3 LYS 54 14.313 -2.528 13.540
371 H GLU 865 H GLU 55 11.881 3.521 15.235
372 HA GLU 865 HA GLU 55 11.460 6.226 14.380
373 HB2 GLU 865 HB2 GLU 55 11.780 6.777 16.680
374 HB3 GLU 865 HB3 GLU 55 10.825 5.309 16.573
375 HG2 GLU 865 HG2 GLU 55 12.973 4.014 17.058
376 HG3 GLU 865 HG3 GLU 55 13.791 5.555 17.280
377 H ASP 866 H ASP 56 14.098 4.415 13.758
378 HA ASP 866 HA ASP 56 16.321 5.955 14.606
379 HB2 ASP 866 HB2 ASP 56 16.187 3.518 13.932
380 HB3 ASP 866 HB3 ASP 56 16.152 4.096 12.275
381 H HIS 867 H HIS 57 14.012 6.440 12.102
382 HA HIS 867 HA HIS 57 15.864 7.778 10.254
383 HB2 HIS 867 HB2 HIS 57 14.202 7.435 8.664
384 HB3 HIS 867 HB3 HIS 57 14.554 5.961 9.505
385 HD1 HIS 867 HD1 HIS 57 11.831 8.637 10.496
386 HD2 HIS 867 HD2 HIS 57 12.456 4.711 9.183
387 HE1 HIS 867 HE1 HIS 57 9.541 7.770 9.824
388 H GLN 868 H GLN 58 13.850 9.171 8.923
389 HA GLN 868 HA GLN 58 12.675 11.246 10.589
390 HB2 GLN 868 HB2 GLN 58 13.623 13.107 9.315
391 HB3 GLN 868 HB3 GLN 58 14.868 12.227 10.180
392 HG2 GLN 868 HG2 GLN 58 14.287 11.744 7.226
393 HG3 GLN 868 HG3 GLN 58 15.383 12.994 7.789
394 HE21 GLN 868 HE21 GLN 58 17.964 10.671 8.790
395 HE22 GLN 868 HE22 GLN 58 17.299 12.248 9.183
396 H LEU 869 H LEU 59 11.113 12.580 9.395
397 HA LEU 869 HA LEU 59 9.867 11.181 7.057
398 HB2 LEU 869 HB2 LEU 59 8.652 13.150 9.041
399 HB3 LEU 869 HB3 LEU 59 7.827 12.237 7.776
400 HG LEU 869 HG LEU 59 7.199 11.425 9.849
401 HD11 LEU 869 HD11 LEU 59 9.058 9.427 8.562
402 HD12 LEU 869 HD12 LEU 59 7.407 9.806 8.023
403 HD13 LEU 869 HD13 LEU 59 7.656 9.046 9.595
404 HD21 LEU 869 HD21 LEU 59 8.484 10.426 11.538
405 HD22 LEU 869 HD22 LEU 59 9.192 12.017 11.230
406 HD23 LEU 869 HD23 LEU 59 9.985 10.539 10.612
407 H GLU 870 H GLU 60 9.113 12.355 5.302
408 HA GLU 870 HA GLU 60 10.254 15.084 4.958
409 HB2 GLU 870 HB2 GLU 60 10.848 13.273 3.342
410 HB3 GLU 870 HB3 GLU 60 9.145 13.111 2.951
411 HG2 GLU 870 HG2 GLU 60 9.921 14.384 1.260
412 HG3 GLU 870 HG3 GLU 60 9.241 15.625 2.311
413 HA PRO 871 HA PRO 61 5.854 16.338 5.249
414 HB2 PRO 871 HB2 PRO 61 6.201 19.013 5.549
415 HB3 PRO 871 HB3 PRO 61 6.439 17.860 6.883
416 HG2 PRO 871 HG2 PRO 61 8.531 19.174 5.146
417 HG3 PRO 871 HG3 PRO 61 8.579 18.865 6.906
418 HD2 PRO 871 HD2 PRO 61 9.784 17.264 4.953
419 HD3 PRO 871 HD3 PRO 61 9.334 16.688 6.571
420 H ILE 872 H ILE 62 4.531 16.855 3.508
421 HA ILE 872 HA ILE 62 5.724 18.309 1.180
422 HB ILE 872 HB ILE 62 3.623 16.223 0.844
423 HG12 ILE 872 HG12 ILE 62 5.497 15.008 2.045
424 HG13 ILE 872 HG13 ILE 62 5.033 14.376 0.507
425 HG21 ILE 872 HG21 ILE 62 4.139 17.787 -0.986
426 HG22 ILE 872 HG22 ILE 62 4.531 16.127 -1.447
427 HG23 ILE 872 HG23 ILE 62 5.817 17.271 -0.998
428 HD11 ILE 872 HD11 ILE 62 7.389 16.255 0.873
429 HD12 ILE 872 HD12 ILE 62 6.984 15.318 -0.578
430 HD13 ILE 872 HD13 ILE 62 7.501 14.469 0.891
431 H TYR 873 H TYR 63 4.714 20.122 0.803
432 HA TYR 873 HA TYR 63 2.156 20.626 2.149
433 HB2 TYR 873 HB2 TYR 63 4.331 22.495 1.163
434 HB3 TYR 873 HB3 TYR 63 2.822 23.010 1.893
435 HD1 TYR 873 HD1 TYR 63 2.235 22.319 4.264
436 HD2 TYR 873 HD2 TYR 63 6.181 21.820 2.577
437 HE1 TYR 873 HE1 TYR 63 3.192 22.127 6.549
438 HE2 TYR 873 HE2 TYR 63 7.133 21.626 4.865
439 HH TYR 873 HH TYR 63 6.706 21.759 7.143
440 H ARG 874 H ARG 64 2.609 19.284 -0.478
441 HA ARG 874 HA ARG 64 0.376 20.462 -1.936
442 HB2 ARG 874 HB2 ARG 64 3.081 19.923 -3.240
443 HB3 ARG 874 HB3 ARG 64 1.602 20.245 -4.133
444 HG2 ARG 874 HG2 ARG 64 3.016 22.210 -2.279
445 HG3 ARG 874 HG3 ARG 64 3.049 22.174 -4.037
446 HD2 ARG 874 HD2 ARG 64 0.608 22.520 -4.149
447 HD3 ARG 874 HD3 ARG 64 0.531 22.681 -2.404
448 HE ARG 874 HE ARG 64 1.528 24.620 -4.360
449 HH11 ARG 874 HH11 ARG 64 1.570 23.850 -0.931
450 HH12 ARG 874 HH12 ARG 64 1.987 25.494 -0.500
451 HH21 ARG 874 HH21 ARG 64 2.051 26.654 -3.731
452 HH22 ARG 874 HH22 ARG 64 2.244 27.044 -2.047
453 H1 ALA 1 H1 ALA 65 1.954 5.415 3.568
454 H2 ALA 1 H2 ALA 65 1.570 4.540 4.920
455 H3 ALA 1 H3 ALA 65 0.402 5.377 4.117
456 HA ALA 1 HA ALA 65 1.913 3.104 3.066
457 HB1 ALA 1 HB1 ALA 65 0.288 2.421 4.792
458 HB2 ALA 1 HB2 ALA 65 -0.204 1.861 3.186
459 HB3 ALA 1 HB3 ALA 65 -0.988 3.287 3.903
460 H ARG 2 H ARG 66 1.869 2.859 0.942
461 HA ARG 2 HA ARG 66 0.514 4.684 -0.851
462 HB2 ARG 2 HB2 ARG 66 1.439 3.458 -2.638
463 HB3 ARG 2 HB3 ARG 66 2.655 3.581 -1.399
464 HG2 ARG 2 HG2 ARG 66 1.102 1.116 -2.263
465 HG3 ARG 2 HG3 ARG 66 2.824 1.433 -2.381
466 HD2 ARG 2 HD2 ARG 66 2.904 1.427 0.162
467 HD3 ARG 2 HD3 ARG 66 1.257 0.800 0.165
468 HE ARG 2 HE ARG 66 3.746 -0.592 -0.528
469 HH11 ARG 2 HH11 ARG 66 3.796 -2.678 -0.775
470 HH12 ARG 2 HH12 ARG 66 2.346 -3.612 -1.093
471 HH21 ARG 2 HH21 ARG 66 0.261 -0.848 -0.952
472 HH22 ARG 2 HH22 ARG 66 0.363 -2.576 -1.177
473 H THR 3 H THR 67 -1.525 4.742 -1.381
474 HA THR 3 HA THR 67 -3.194 2.293 -1.705
475 HB THR 3 HB THR 67 -3.986 4.716 -0.029
476 HG1 THR 3 HG1 THR 67 -3.136 2.148 0.830
477 HG21 THR 3 HG21 THR 67 -5.656 3.164 0.978
478 HG22 THR 3 HG22 THR 67 -5.282 1.974 -0.293
479 HG23 THR 3 HG23 THR 67 -6.008 3.545 -0.703
480 HH31 ALY 4 H26 ALY 68 -6.509 12.189 -6.137
481 HH32 ALY 4 H27 ALY 68 -6.637 10.418 -6.037
482 HH33 ALY 4 H28 ALY 68 -5.734 11.164 -7.366
483 HZ ALY 4 HZ1 ALY 68 -4.116 9.641 -6.582
484 HE3 ALY 4 HE3 ALY 68 -2.071 10.843 -4.926
485 HE2 ALY 4 HE2 ALY 68 -2.890 9.518 -4.076
486 HD3 ALY 4 HD3 ALY 68 -1.636 9.316 -6.849
487 HD2 ALY 4 HD2 ALY 68 -0.828 8.797 -5.375
488 HG3 ALY 4 HG3 ALY 68 -3.542 7.655 -6.112
489 HG2 ALY 4 HG2 ALY 68 -2.077 7.062 -6.891
490 HB3 ALY 4 HB3 ALY 68 -1.197 6.186 -4.885
491 HB2 ALY 4 HB2 ALY 68 -2.269 7.142 -3.867
492 HCA ALY 4 HA ALY 68 -4.203 5.867 -4.584
493 H ALY 4 H ALY 68 -1.919 4.248 -3.570
494 H GLN 5 H GLN 69 -5.350 4.832 -6.071
495 HA GLN 5 HA GLN 69 -4.254 2.982 -8.009
496 HB2 GLN 5 HB2 GLN 69 -6.532 2.815 -7.111
497 HB3 GLN 5 HB3 GLN 69 -6.947 4.388 -7.787
498 HG2 GLN 5 HG2 GLN 69 -7.907 2.617 -9.127
499 HG3 GLN 5 HG3 GLN 69 -6.723 3.490 -10.082
500 HE21 GLN 5 HE21 GLN 69 -4.642 2.387 -10.573
501 HE22 GLN 5 HE22 GLN 69 -4.575 0.625 -10.467
502 H THR 6 H THR 70 -4.901 6.488 -8.095
503 HA THR 6 HA THR 70 -3.410 6.735 -10.597
504 HB THR 6 HB THR 70 -5.738 6.200 -11.351
505 HG1 THR 6 HG1 THR 70 -4.585 7.346 -12.785
506 HG21 THR 6 HG21 THR 70 -7.504 7.855 -11.192
507 HG22 THR 6 HG22 THR 70 -6.488 8.931 -10.212
508 HG23 THR 6 HG23 THR 70 -7.025 7.364 -9.556
509 H ALA 7 H ALA 71 -2.946 8.982 -11.174
510 HA ALA 7 HA ALA 71 -2.171 10.519 -8.874
511 HB1 ALA 7 HB1 ALA 71 -2.147 11.228 -11.840
512 HB2 ALA 7 HB2 ALA 71 -0.847 10.392 -10.956
513 HB3 ALA 7 HB3 ALA 71 -1.259 12.068 -10.557
514 H ARG 8 H ARG 72 -2.674 12.711 -8.394
515 HA ARG 8 HA ARG 72 -5.506 13.307 -8.280
516 HB2 ARG 8 HB2 ARG 72 -3.733 13.786 -6.501
517 HB3 ARG 8 HB3 ARG 72 -3.191 15.120 -7.523
518 HG2 ARG 8 HG2 ARG 72 -5.469 16.143 -7.353
519 HG3 ARG 8 HG3 ARG 72 -6.006 14.759 -6.386
520 HD2 ARG 8 HD2 ARG 72 -5.506 16.580 -4.889
521 HD3 ARG 8 HD3 ARG 72 -4.299 15.307 -4.672
522 HE ARG 8 HE ARG 72 -3.665 17.548 -6.525
523 HH11 ARG 8 HH11 ARG 72 -0.919 18.406 -4.606
524 HH12 ARG 8 HH12 ARG 72 -1.733 18.672 -6.153
525 HH21 ARG 8 HH21 ARG 72 -3.047 16.219 -3.286
526 HH22 ARG 8 HH22 ARG 72 -1.540 17.153 -3.200
Start of MODEL 16
1 H1 GLY 811 H1 GLY 1 -5.050 24.729 -4.012
2 H2 GLY 811 H2 GLY 1 -3.871 25.134 -2.951
3 H3 GLY 811 H3 GLY 1 -5.265 25.998 -3.005
4 HA2 GLY 811 HA2 GLY 1 -6.548 24.098 -2.240
5 HA3 GLY 811 HA3 GLY 1 -5.048 23.159 -2.181
6 HA PRO 812 HA PRO 2 -5.891 25.813 1.744
7 HB2 PRO 812 HB2 PRO 2 -7.324 24.180 3.396
8 HB3 PRO 812 HB3 PRO 2 -8.077 25.218 2.150
9 HG2 PRO 812 HG2 PRO 2 -7.367 22.268 1.915
10 HG3 PRO 812 HG3 PRO 2 -8.931 23.064 1.532
11 HD2 PRO 812 HD2 PRO 2 -7.085 22.534 -0.388
12 HD3 PRO 812 HD3 PRO 2 -8.052 24.037 -0.430
13 H LEU 813 H LEU 3 -3.851 25.807 2.479
14 HA LEU 813 HA LEU 3 -2.097 23.661 2.676
15 HB2 LEU 813 HB2 LEU 3 -2.002 26.227 4.308
16 HB3 LEU 813 HB3 LEU 3 -0.634 25.187 3.934
17 HG LEU 813 HG LEU 3 -2.216 26.850 1.922
18 HD11 LEU 813 HD11 LEU 3 -0.157 28.176 1.781
19 HD12 LEU 813 HD12 LEU 3 0.607 27.156 3.023
20 HD13 LEU 813 HD13 LEU 3 -0.793 28.170 3.438
21 HD21 LEU 813 HD21 LEU 3 0.275 25.135 1.528
22 HD22 LEU 813 HD22 LEU 3 -0.414 26.250 0.327
23 HD23 LEU 813 HD23 LEU 3 -1.335 24.832 0.828
24 H GLY 814 H GLY 4 -4.382 24.646 5.139
25 HA2 GLY 814 HA2 GLY 4 -3.188 22.912 7.233
26 HA3 GLY 814 HA3 GLY 4 -4.542 24.025 7.409
27 H SER 815 H SER 5 -5.166 22.214 4.647
28 HA SER 815 HA SER 5 -6.673 20.099 6.025
29 HB2 SER 815 HB2 SER 5 -8.024 22.123 4.211
30 HB3 SER 815 HB3 SER 5 -8.797 20.774 5.045
31 HG SER 815 HG SER 5 -8.379 21.791 7.027
32 H VAL 816 H VAL 6 -4.391 20.151 4.089
33 HA VAL 816 HA VAL 6 -5.092 19.526 1.449
34 HB VAL 816 HB VAL 6 -2.777 18.633 3.222
35 HG11 VAL 816 HG11 VAL 6 -2.887 18.767 0.228
36 HG12 VAL 816 HG12 VAL 6 -2.727 17.318 1.274
37 HG13 VAL 816 HG13 VAL 6 -1.428 18.515 1.223
38 HG21 VAL 816 HG21 VAL 6 -1.568 20.540 2.410
39 HG22 VAL 816 HG22 VAL 6 -3.046 21.131 3.112
40 HG23 VAL 816 HG23 VAL 6 -2.914 21.030 1.340
41 H GLN 817 H GLN 7 -5.879 17.781 0.447
42 HA GLN 817 HA GLN 7 -6.328 15.319 2.070
43 HB2 GLN 817 HB2 GLN 7 -8.084 14.868 0.377
44 HB3 GLN 817 HB3 GLN 7 -8.365 16.289 1.386
45 HG2 GLN 817 HG2 GLN 7 -8.616 17.629 -0.356
46 HG3 GLN 817 HG3 GLN 7 -7.054 17.204 -0.999
47 HE21 GLN 817 HE21 GLN 7 -6.918 15.092 -2.235
48 HE22 GLN 817 HE22 GLN 7 -8.295 14.728 -3.291
49 H HIS 818 H HIS 8 -5.080 13.596 1.714
50 HA HIS 818 HA HIS 8 -3.944 13.246 -1.033
51 HB2 HIS 818 HB2 HIS 8 -2.763 12.876 1.678
52 HB3 HIS 818 HB3 HIS 8 -2.340 11.729 0.403
53 HD2 HIS 818 HD2 HIS 8 -1.319 15.083 1.589
54 HE1 HIS 818 HE1 HIS 8 -0.298 15.136 -2.552
55 HE2 HIS 818 HE2 HIS 8 -0.078 16.385 -0.374
56 H VAL 819 H VAL 9 -5.947 12.470 -1.621
57 HA VAL 819 HA VAL 9 -6.922 9.839 -1.045
58 HB VAL 819 HB VAL 9 -7.166 11.559 -3.515
59 HG11 VAL 819 HG11 VAL 9 -7.611 9.184 -4.029
60 HG12 VAL 819 HG12 VAL 9 -9.127 10.101 -3.969
61 HG13 VAL 819 HG13 VAL 9 -8.667 9.068 -2.595
62 HG21 VAL 819 HG21 VAL 9 -9.435 11.987 -2.562
63 HG22 VAL 819 HG22 VAL 9 -8.181 12.572 -1.467
64 HG23 VAL 819 HG23 VAL 9 -9.004 11.040 -1.117
65 H GLY 820 H GLY 10 -5.475 8.257 -0.913
66 HA2 GLY 820 HA2 GLY 10 -4.271 6.603 -2.407
67 HA3 GLY 820 HA3 GLY 10 -3.386 7.993 -3.026
68 H PHE 821 H PHE 11 -3.558 8.819 0.175
69 HA PHE 821 HA PHE 11 -1.405 6.908 1.045
70 HB2 PHE 821 HB2 PHE 11 -1.298 9.833 1.723
71 HB3 PHE 821 HB3 PHE 11 -0.077 8.596 1.987
72 HD1 PHE 821 HD1 PHE 11 -0.201 11.473 0.569
73 HD2 PHE 821 HD2 PHE 11 0.354 7.401 -0.681
74 HE1 PHE 821 HE1 PHE 11 0.804 12.267 -1.536
75 HE2 PHE 821 HE2 PHE 11 1.457 8.191 -2.758
76 HZ PHE 821 HZ PHE 11 1.648 10.663 -3.190
77 H LYS 822 H LYS 12 -2.701 5.707 2.372
78 HA LYS 822 HA LYS 12 -4.301 7.020 4.547
79 HB2 LYS 822 HB2 LYS 12 -5.471 5.274 3.507
80 HB3 LYS 822 HB3 LYS 12 -4.115 4.266 3.361
81 HG2 LYS 822 HG2 LYS 12 -4.643 4.533 6.234
82 HG3 LYS 822 HG3 LYS 12 -6.164 4.446 5.436
83 HD2 LYS 822 HD2 LYS 12 -5.640 2.280 6.093
84 HD3 LYS 822 HD3 LYS 12 -5.522 2.322 4.328
85 HE2 LYS 822 HE2 LYS 12 -3.043 2.474 4.501
86 HE3 LYS 822 HE3 LYS 12 -3.162 2.506 6.269
87 HZ1 LYS 822 HZ1 LYS 12 -4.039 0.219 4.551
88 HZ2 LYS 822 HZ2 LYS 12 -4.157 0.262 6.181
89 HZ3 LYS 822 HZ3 LYS 12 -2.691 0.237 5.477
90 H CYS 823 H CYS 13 -3.726 6.875 6.702
91 HA CYS 823 HA CYS 13 -0.936 6.931 7.301
92 HB2 CYS 823 HB2 CYS 13 -2.564 8.377 8.353
93 HB3 CYS 823 HB3 CYS 13 -3.468 6.988 8.915
94 H ASP 824 H ASP 14 0.185 5.743 8.779
95 HA ASP 824 HA ASP 14 -0.449 2.820 9.006
96 HB2 ASP 824 HB2 ASP 14 2.138 4.394 9.107
97 HB3 ASP 824 HB3 ASP 14 2.020 2.716 9.597
98 H ASN 825 H ASN 15 0.165 5.684 10.960
99 HA ASN 825 HA ASN 15 0.655 4.285 13.462
100 HB2 ASN 825 HB2 ASN 15 1.310 6.650 13.148
101 HB3 ASN 825 HB3 ASN 15 -0.420 7.086 12.976
102 HD21 ASN 825 HD21 ASN 15 -0.784 8.297 14.827
103 HD22 ASN 825 HD22 ASN 15 -0.395 7.709 16.453
104 H CYS 826 H CYS 16 -2.314 5.901 12.200
105 HA CYS 826 HA CYS 16 -3.905 4.386 14.185
106 HB2 CYS 826 HB2 CYS 16 -5.259 6.227 14.468
107 HB3 CYS 826 HB3 CYS 16 -3.639 6.917 14.402
108 H GLY 827 H GLY 17 -3.438 4.700 10.798
109 HA2 GLY 827 HA2 GLY 17 -4.150 3.181 9.245
110 HA3 GLY 827 HA3 GLY 17 -5.383 2.586 10.326
111 H ILE 828 H ILE 18 -5.496 5.999 10.203
112 HA ILE 828 HA ILE 18 -8.006 6.053 8.976
113 HB ILE 828 HB ILE 18 -7.306 7.725 10.558
114 HG12 ILE 828 HG12 ILE 18 -7.800 9.123 7.903
115 HG13 ILE 828 HG13 ILE 18 -9.046 8.225 8.719
116 HG21 ILE 828 HG21 ILE 18 -5.418 8.838 8.418
117 HG22 ILE 828 HG22 ILE 18 -4.905 7.970 9.866
118 HG23 ILE 828 HG23 ILE 18 -5.754 9.487 10.036
119 HD11 ILE 828 HD11 ILE 18 -9.311 10.556 9.257
120 HD12 ILE 828 HD12 ILE 18 -7.638 10.688 9.812
121 HD13 ILE 828 HD13 ILE 18 -8.804 9.700 10.729
122 H GLU 829 H GLU 19 -8.730 6.557 7.059
123 HA GLU 829 HA GLU 19 -7.403 5.948 4.673
124 HB2 GLU 829 HB2 GLU 19 -9.357 7.395 3.748
125 HB3 GLU 829 HB3 GLU 19 -9.656 5.801 4.362
126 HG2 GLU 829 HG2 GLU 19 -10.546 6.759 6.460
127 HG3 GLU 829 HG3 GLU 19 -10.033 8.378 5.959
128 HA PRO 830 HA PRO 20 -5.243 9.004 2.435
129 HB2 PRO 830 HB2 PRO 20 -8.077 10.018 2.105
130 HB3 PRO 830 HB3 PRO 20 -6.733 9.962 0.934
131 HG2 PRO 830 HG2 PRO 20 -8.720 8.043 1.384
132 HG3 PRO 830 HG3 PRO 20 -7.283 7.820 0.335
133 HD2 PRO 830 HD2 PRO 20 -7.627 6.375 2.628
134 HD3 PRO 830 HD3 PRO 20 -6.034 6.832 1.978
135 H ILE 831 H ILE 21 -4.066 9.949 3.996
136 HA ILE 831 HA ILE 21 -4.812 11.379 6.189
137 HB ILE 831 HB ILE 21 -2.329 11.603 4.469
138 HG12 ILE 831 HG12 ILE 21 -2.573 10.304 7.210
139 HG13 ILE 831 HG13 ILE 21 -3.085 9.415 5.795
140 HG21 ILE 831 HG21 ILE 21 -1.206 12.615 6.488
141 HG22 ILE 831 HG22 ILE 21 -2.801 12.801 7.232
142 HG23 ILE 831 HG23 ILE 21 -2.380 13.681 5.743
143 HD11 ILE 831 HD11 ILE 21 -0.764 8.903 6.377
144 HD12 ILE 831 HD12 ILE 21 -0.304 10.586 6.103
145 HD13 ILE 831 HD13 ILE 21 -0.910 9.613 4.754
146 H GLN 832 H GLN 22 -5.267 13.328 6.874
147 HA GLN 832 HA GLN 22 -5.838 15.401 4.815
148 HB2 GLN 832 HB2 GLN 22 -7.192 14.980 7.492
149 HB3 GLN 832 HB3 GLN 22 -7.598 16.191 6.276
150 HG2 GLN 832 HG2 GLN 22 -7.817 13.181 5.806
151 HG3 GLN 832 HG3 GLN 22 -9.130 14.199 6.356
152 HE21 GLN 832 HE21 GLN 22 -8.004 12.772 3.607
153 HE22 GLN 832 HE22 GLN 22 -8.796 13.867 2.470
154 H GLY 833 H GLY 23 -5.014 17.380 5.031
155 HA2 GLY 833 HA2 GLY 23 -4.545 19.343 6.443
156 HA3 GLY 833 HA3 GLY 23 -3.826 18.308 7.612
157 H VAL 834 H VAL 24 -1.989 16.949 6.773
158 HA VAL 834 HA VAL 24 -0.319 18.059 4.659
159 HB VAL 834 HB VAL 24 0.102 19.342 6.759
160 HG11 VAL 834 HG11 VAL 24 1.136 18.408 8.677
161 HG12 VAL 834 HG12 VAL 24 1.182 16.791 7.928
162 HG13 VAL 834 HG13 VAL 24 -0.385 17.551 8.357
163 HG21 VAL 834 HG21 VAL 24 1.980 19.180 5.231
164 HG22 VAL 834 HG22 VAL 24 2.436 17.584 5.903
165 HG23 VAL 834 HG23 VAL 24 2.570 19.056 6.880
166 H ARG 835 H ARG 25 0.833 16.351 3.675
167 HA ARG 835 HA ARG 25 0.474 13.609 4.806
168 HB2 ARG 835 HB2 ARG 25 0.444 13.919 2.332
169 HB3 ARG 835 HB3 ARG 25 2.080 14.561 2.397
170 HG2 ARG 835 HG2 ARG 25 2.658 12.217 3.507
171 HG3 ARG 835 HG3 ARG 25 1.106 11.726 2.834
172 HD2 ARG 835 HD2 ARG 25 1.989 12.499 0.565
173 HD3 ARG 835 HD3 ARG 25 3.540 12.822 1.354
174 HE ARG 835 HE ARG 25 2.879 10.192 2.077
175 HH11 ARG 835 HH11 ARG 25 3.793 11.698 -0.986
176 HH12 ARG 835 HH12 ARG 25 4.462 10.194 -1.549
177 HH21 ARG 835 HH21 ARG 25 3.676 8.514 1.375
178 HH22 ARG 835 HH22 ARG 25 4.422 8.350 -0.195
179 H TRP 836 H TRP 26 1.948 12.669 6.187
180 HA TRP 836 HA TRP 26 4.687 13.875 6.309
181 HB2 TRP 836 HB2 TRP 26 3.170 12.273 8.351
182 HB3 TRP 836 HB3 TRP 26 4.889 12.492 8.388
183 HD1 TRP 836 HD1 TRP 26 1.771 14.398 9.108
184 HE1 TRP 836 HE1 TRP 26 2.444 16.645 10.281
185 HE3 TRP 836 HE3 TRP 26 6.708 14.435 7.996
186 HZ2 TRP 836 HZ2 TRP 26 4.884 17.958 10.991
187 HZ3 TRP 836 HZ3 TRP 26 8.252 16.025 9.090
188 HH2 TRP 836 HH2 TRP 26 7.372 17.760 10.622
189 H HIS 837 H HIS 27 5.618 12.958 4.576
190 HA HIS 837 HA HIS 27 5.494 10.016 4.037
191 HB2 HIS 837 HB2 HIS 27 5.398 11.496 2.107
192 HB3 HIS 837 HB3 HIS 27 6.795 12.409 2.666
193 HD2 HIS 837 HD2 HIS 27 8.994 11.814 1.520
194 HE1 HIS 837 HE1 HIS 27 8.201 7.779 0.383
195 HE2 HIS 837 HE2 HIS 27 9.902 9.671 0.278
196 H CYS 838 H CYS 28 6.984 8.624 4.969
197 HA CYS 838 HA CYS 28 9.121 9.621 6.604
198 HB2 CYS 838 HB2 CYS 28 7.799 7.548 6.848
199 HB3 CYS 838 HB3 CYS 28 8.746 6.908 5.482
200 H GLN 839 H GLN 29 11.161 10.039 6.194
201 HA GLN 839 HA GLN 29 11.948 10.488 3.451
202 HB2 GLN 839 HB2 GLN 29 13.476 10.773 6.069
203 HB3 GLN 839 HB3 GLN 29 14.097 11.233 4.486
204 HG2 GLN 839 HG2 GLN 29 12.062 12.737 4.211
205 HG3 GLN 839 HG3 GLN 29 11.750 12.506 5.932
206 HE21 GLN 839 HE21 GLN 29 12.223 15.151 4.983
207 HE22 GLN 839 HE22 GLN 29 13.818 15.624 5.460
208 H ASP 840 H ASP 30 12.856 8.055 5.948
209 HA ASP 840 HA ASP 30 14.959 6.986 4.122
210 HB2 ASP 840 HB2 ASP 30 15.372 7.628 6.556
211 HB3 ASP 840 HB3 ASP 30 14.215 6.429 6.938
212 H CYS 841 H CYS 31 11.766 6.056 5.393
213 HA CYS 841 HA CYS 31 11.922 3.246 4.881
214 HB2 CYS 841 HB2 CYS 31 9.634 5.193 4.920
215 HB3 CYS 841 HB3 CYS 31 9.391 3.573 4.332
216 HA PRO 842 HA PRO 32 12.359 3.372 0.470
217 HB2 PRO 842 HB2 PRO 32 11.676 0.830 -0.297
218 HB3 PRO 842 HB3 PRO 32 13.147 1.217 0.644
219 HG2 PRO 842 HG2 PRO 32 10.495 0.191 1.694
220 HG3 PRO 842 HG3 PRO 32 12.144 -0.362 2.100
221 HD2 PRO 842 HD2 PRO 32 10.726 1.432 3.646
222 HD3 PRO 842 HD3 PRO 32 12.504 1.437 3.525
223 HA PRO 843 HA PRO 33 8.405 4.570 -1.261
224 HB2 PRO 843 HB2 PRO 33 9.518 3.374 -3.814
225 HB3 PRO 843 HB3 PRO 33 8.645 4.918 -3.590
226 HG2 PRO 843 HG2 PRO 33 11.334 4.929 -3.791
227 HG3 PRO 843 HG3 PRO 33 10.564 5.896 -2.488
228 HD2 PRO 843 HD2 PRO 33 11.839 3.152 -2.292
229 HD3 PRO 843 HD3 PRO 33 12.008 4.570 -1.211
230 H GLU 844 H GLU 34 9.559 1.305 -1.986
231 HA GLU 844 HA GLU 34 7.168 0.024 -2.762
232 HB2 GLU 844 HB2 GLU 34 9.411 -0.959 -2.900
233 HB3 GLU 844 HB3 GLU 34 9.531 -1.011 -1.131
234 HG2 GLU 844 HG2 GLU 34 7.786 -2.693 -1.002
235 HG3 GLU 844 HG3 GLU 34 7.368 -2.469 -2.698
236 H MET 845 H MET 35 8.289 0.867 0.474
237 HA MET 845 HA MET 35 5.929 -0.386 1.789
238 HB2 MET 845 HB2 MET 35 8.369 1.047 2.891
239 HB3 MET 845 HB3 MET 35 7.038 0.443 3.877
240 HG2 MET 845 HG2 MET 35 8.703 -1.313 2.040
241 HG3 MET 845 HG3 MET 35 9.062 -1.045 3.740
242 HE1 MET 845 HE1 MET 35 6.324 -2.984 5.655
243 HE2 MET 845 HE2 MET 35 6.301 -1.240 5.338
244 HE3 MET 845 HE3 MET 35 7.835 -2.052 5.741
245 H SER 846 H SER 36 7.423 2.840 1.407
246 HA SER 846 HA SER 36 6.739 4.962 1.941
247 HB2 SER 846 HB2 SER 36 5.840 4.646 -0.269
248 HB3 SER 846 HB3 SER 36 4.348 3.955 0.392
249 HG SER 846 HG SER 36 3.866 5.959 1.322
250 H LEU 847 H LEU 37 6.699 4.584 4.292
251 HA LEU 847 HA LEU 37 4.034 4.221 5.483
252 HB2 LEU 847 HB2 LEU 37 6.804 4.373 6.686
253 HB3 LEU 847 HB3 LEU 37 5.406 4.798 7.647
254 HG LEU 847 HG LEU 37 4.465 2.480 6.562
255 HD11 LEU 847 HD11 LEU 37 7.414 1.933 6.832
256 HD12 LEU 847 HD12 LEU 37 6.500 2.024 5.319
257 HD13 LEU 847 HD13 LEU 37 6.123 0.762 6.512
258 HD21 LEU 847 HD21 LEU 37 4.590 3.105 8.972
259 HD22 LEU 847 HD22 LEU 37 6.163 2.270 8.980
260 HD23 LEU 847 HD23 LEU 37 4.694 1.404 8.533
261 H ASP 848 H ASP 38 2.843 5.742 6.584
262 HA ASP 848 HA ASP 38 3.521 8.567 6.051
263 HB2 ASP 848 HB2 ASP 38 0.982 7.240 5.061
264 HB3 ASP 848 HB3 ASP 38 1.346 8.952 5.040
265 H PHE 849 H PHE 39 2.426 10.053 7.331
266 HA PHE 849 HA PHE 39 0.434 9.013 9.263
267 HB2 PHE 849 HB2 PHE 39 2.759 10.692 10.284
268 HB3 PHE 849 HB3 PHE 39 1.546 9.815 11.150
269 HD1 PHE 849 HD1 PHE 39 4.737 9.504 9.347
270 HD2 PHE 849 HD2 PHE 39 1.485 7.362 11.144
271 HE1 PHE 849 HE1 PHE 39 6.033 7.399 9.190
272 HE2 PHE 849 HE2 PHE 39 2.828 5.265 11.122
273 HZ PHE 849 HZ PHE 39 5.074 5.272 10.078
274 H CYS 850 H CYS 40 -0.818 10.479 10.360
275 HA CYS 850 HA CYS 40 -1.588 12.894 9.067
276 HB2 CYS 850 HB2 CYS 40 -2.168 11.820 11.855
277 HB3 CYS 850 HB3 CYS 40 -3.132 13.015 10.985
278 H ASP 851 H ASP 41 -1.828 14.954 10.389
279 HA ASP 851 HA ASP 41 0.660 16.124 10.950
280 HB2 ASP 851 HB2 ASP 41 -0.531 18.054 11.491
281 HB3 ASP 851 HB3 ASP 41 -1.499 17.252 10.288
282 H SER 852 H SER 42 -1.588 14.558 13.168
283 HA SER 852 HA SER 42 0.001 15.143 15.559
284 HB2 SER 852 HB2 SER 42 -2.458 15.154 15.643
285 HB3 SER 852 HB3 SER 42 -2.473 13.444 15.146
286 HG SER 852 HG SER 42 -2.649 13.775 17.465
287 H CYS 853 H CYS 43 -0.750 12.314 13.469
288 HA CYS 853 HA CYS 43 0.332 10.302 15.115
289 HB2 CYS 853 HB2 CYS 43 -0.305 10.634 12.200
290 HB3 CYS 853 HB3 CYS 43 0.327 9.136 12.864
291 H SER 854 H SER 44 1.729 12.329 12.590
292 HA SER 854 HA SER 44 4.285 10.990 12.304
293 HB2 SER 854 HB2 SER 44 3.628 12.637 10.709
294 HB3 SER 854 HB3 SER 44 3.391 13.863 11.946
295 HG SER 854 HG SER 44 5.424 14.232 11.050
296 H ASP 855 H ASP 45 3.006 13.169 14.734
297 HA ASP 855 HA ASP 45 5.591 13.483 16.089
298 HB2 ASP 855 HB2 ASP 45 3.951 15.396 15.865
299 HB3 ASP 855 HB3 ASP 45 2.874 14.524 16.947
300 H CYS 856 H CYS 46 3.045 11.253 15.969
301 HA CYS 856 HA CYS 46 3.037 10.448 18.758
302 HB2 CYS 856 HB2 CYS 46 1.113 10.277 17.059
303 HB3 CYS 856 HB3 CYS 46 1.990 8.898 16.375
304 HG CYS 856 HG CYS 46 0.830 9.335 19.455
305 H LEU 857 H LEU 47 4.835 9.651 15.912
306 HA LEU 857 HA LEU 47 6.514 8.336 15.344
307 HB2 LEU 857 HB2 LEU 47 7.289 9.410 17.691
308 HB3 LEU 857 HB3 LEU 47 7.469 7.705 18.060
309 HG LEU 857 HG LEU 47 9.538 8.466 17.235
310 HD11 LEU 857 HD11 LEU 47 8.292 7.104 14.807
311 HD12 LEU 857 HD12 LEU 47 8.876 6.270 16.273
312 HD13 LEU 857 HD13 LEU 47 9.988 7.183 15.236
313 HD21 LEU 857 HD21 LEU 47 8.197 9.625 14.762
314 HD22 LEU 857 HD22 LEU 47 9.928 9.650 15.163
315 HD23 LEU 857 HD23 LEU 47 8.779 10.549 16.160
316 H HIS 858 H HIS 48 5.919 6.634 14.322
317 HA HIS 858 HA HIS 48 5.091 4.120 15.724
318 HB2 HIS 858 HB2 HIS 48 3.411 5.244 14.248
319 HB3 HIS 858 HB3 HIS 48 4.537 5.096 12.903
320 HD2 HIS 858 HD2 HIS 48 4.201 3.005 11.422
321 HE1 HIS 858 HE1 HIS 48 2.184 0.461 14.189
322 HE2 HIS 858 HE2 HIS 48 3.003 0.685 11.793
323 H GLU 859 H GLU 49 6.035 2.112 14.861
324 HA GLU 859 HA GLU 49 8.178 2.382 12.896
325 HB2 GLU 859 HB2 GLU 49 8.639 0.859 15.511
326 HB3 GLU 859 HB3 GLU 49 9.805 1.161 14.274
327 HG2 GLU 859 HG2 GLU 49 9.794 3.573 14.787
328 HG3 GLU 859 HG3 GLU 49 8.557 3.283 16.016
329 H THR 860 H THR 50 8.784 0.474 11.791
330 HA THR 860 HA THR 50 7.156 -1.983 12.423
331 HB THR 860 HB THR 50 6.735 -2.451 10.164
332 HG1 THR 860 HG1 THR 50 7.467 -1.080 8.499
333 HG21 THR 860 HG21 THR 50 5.328 -0.619 9.421
334 HG22 THR 860 HG22 THR 50 6.117 0.514 10.555
335 HG23 THR 860 HG23 THR 50 5.161 -0.830 11.183
336 H ASP 861 H ASP 51 8.461 -3.349 10.157
337 HA ASP 861 HA ASP 51 10.899 -4.286 11.432
338 HB2 ASP 861 HB2 ASP 51 9.586 -4.960 8.840
339 HB3 ASP 861 HB3 ASP 51 11.011 -5.764 9.472
340 H ILE 862 H ILE 52 9.968 -2.104 8.872
341 HA ILE 862 HA ILE 52 12.803 -1.588 8.197
342 HB ILE 862 HB ILE 52 10.303 -1.083 6.598
343 HG12 ILE 862 HG12 ILE 52 12.790 -2.867 6.383
344 HG13 ILE 862 HG13 ILE 52 11.130 -3.400 6.639
345 HG21 ILE 862 HG21 ILE 52 12.075 -0.167 4.958
346 HG22 ILE 862 HG22 ILE 52 13.160 -0.076 6.373
347 HG23 ILE 862 HG23 ILE 52 11.660 0.873 6.319
348 HD11 ILE 862 HD11 ILE 52 12.248 -2.187 4.122
349 HD12 ILE 862 HD12 ILE 52 10.521 -2.541 4.418
350 HD13 ILE 862 HD13 ILE 52 11.721 -3.853 4.399
351 H HIS 863 H HIS 53 9.702 -0.076 9.111
352 HA HIS 863 HA HIS 53 10.793 2.620 9.131
353 HB2 HIS 863 HB2 HIS 53 8.481 2.409 8.721
354 HB3 HIS 863 HB3 HIS 53 8.191 1.314 9.986
355 HD1 HIS 863 HD1 HIS 53 9.840 3.881 12.074
356 HD2 HIS 863 HD2 HIS 53 6.812 4.297 10.898
357 HE1 HIS 863 HE1 HIS 53 9.826 6.131 11.042
358 H LYS 864 H LYS 54 12.033 3.461 10.751
359 HA LYS 864 HA LYS 54 11.439 2.530 13.524
360 HB2 LYS 864 HB2 LYS 54 14.185 2.863 12.270
361 HB3 LYS 864 HB3 LYS 54 13.809 2.563 13.953
362 HG2 LYS 864 HG2 LYS 54 13.197 0.634 11.592
363 HG3 LYS 864 HG3 LYS 54 14.592 0.549 12.633
364 HD2 LYS 864 HD2 LYS 54 13.099 0.117 14.619
365 HD3 LYS 864 HD3 LYS 54 11.744 0.083 13.555
366 HE2 LYS 864 HE2 LYS 54 12.237 -2.143 13.649
367 HE3 LYS 864 HE3 LYS 54 13.015 -1.672 12.150
368 HZ1 LYS 864 HZ1 LYS 54 14.492 -3.047 13.517
369 HZ2 LYS 864 HZ2 LYS 54 14.408 -2.018 14.775
370 HZ3 LYS 864 HZ3 LYS 54 15.156 -1.563 13.391
371 H GLU 865 H GLU 55 12.235 3.979 15.249
372 HA GLU 865 HA GLU 55 11.994 6.771 14.577
373 HB2 GLU 865 HB2 GLU 55 12.255 7.174 16.887
374 HB3 GLU 865 HB3 GLU 55 11.261 5.733 16.706
375 HG2 GLU 865 HG2 GLU 55 13.360 4.353 17.137
376 HG3 GLU 865 HG3 GLU 55 14.223 5.850 17.468
377 H ASP 866 H ASP 56 14.480 4.837 13.769
378 HA ASP 866 HA ASP 56 16.813 6.421 14.392
379 HB2 ASP 866 HB2 ASP 56 16.198 4.284 12.389
380 HB3 ASP 866 HB3 ASP 56 17.778 5.028 12.541
381 H HIS 867 H HIS 57 14.157 6.569 12.025
382 HA HIS 867 HA HIS 57 15.563 8.639 10.504
383 HB2 HIS 867 HB2 HIS 57 14.026 7.840 8.711
384 HB3 HIS 867 HB3 HIS 57 15.394 6.836 9.097
385 HD1 HIS 867 HD1 HIS 57 14.517 4.688 8.132
386 HD2 HIS 867 HD2 HIS 57 11.795 6.822 10.462
387 HE1 HIS 867 HE1 HIS 57 12.175 4.200 7.242
388 H GLN 868 H GLN 58 13.765 9.733 9.227
389 HA GLN 868 HA GLN 58 11.849 10.966 11.086
390 HB2 GLN 868 HB2 GLN 58 12.693 13.185 10.591
391 HB3 GLN 868 HB3 GLN 58 13.945 12.192 11.315
392 HG2 GLN 868 HG2 GLN 58 13.717 12.673 8.302
393 HG3 GLN 868 HG3 GLN 58 14.654 13.695 9.377
394 HE21 GLN 868 HE21 GLN 58 16.535 12.669 10.541
395 HE22 GLN 868 HE22 GLN 58 17.243 11.236 9.809
396 H LEU 869 H LEU 59 10.408 12.539 10.077
397 HA LEU 869 HA LEU 59 9.426 11.551 7.454
398 HB2 LEU 869 HB2 LEU 59 7.945 13.185 9.540
399 HB3 LEU 869 HB3 LEU 59 7.283 12.312 8.160
400 HG LEU 869 HG LEU 59 6.598 11.176 10.019
401 HD11 LEU 869 HD11 LEU 59 7.584 8.954 9.841
402 HD12 LEU 869 HD12 LEU 59 8.980 9.628 8.989
403 HD13 LEU 869 HD13 LEU 59 7.346 9.720 8.255
404 HD21 LEU 869 HD21 LEU 59 9.370 10.805 11.187
405 HD22 LEU 869 HD22 LEU 59 7.810 10.362 11.868
406 HD23 LEU 869 HD23 LEU 59 8.217 12.072 11.707
407 H GLU 870 H GLU 60 8.468 12.961 5.961
408 HA GLU 870 HA GLU 60 9.438 15.776 5.937
409 HB2 GLU 870 HB2 GLU 60 10.427 14.276 4.243
410 HB3 GLU 870 HB3 GLU 60 8.829 13.856 3.665
411 HG2 GLU 870 HG2 GLU 60 9.940 15.413 2.204
412 HG3 GLU 870 HG3 GLU 60 8.459 16.123 2.867
413 HA PRO 871 HA PRO 61 4.950 16.509 5.914
414 HB2 PRO 871 HB2 PRO 61 4.925 19.178 6.359
415 HB3 PRO 871 HB3 PRO 61 5.351 17.993 7.626
416 HG2 PRO 871 HG2 PRO 61 7.202 19.685 5.939
417 HG3 PRO 871 HG3 PRO 61 7.309 19.320 7.686
418 HD2 PRO 871 HD2 PRO 61 8.715 17.978 5.670
419 HD3 PRO 871 HD3 PRO 61 8.361 17.289 7.270
420 H ILE 872 H ILE 62 3.537 16.944 4.186
421 HA ILE 872 HA ILE 62 4.491 18.778 2.032
422 HB ILE 872 HB ILE 62 2.621 16.556 1.456
423 HG12 ILE 872 HG12 ILE 62 5.601 16.319 1.903
424 HG13 ILE 872 HG13 ILE 62 4.269 15.222 2.347
425 HG21 ILE 872 HG21 ILE 62 3.001 18.522 -0.099
426 HG22 ILE 872 HG22 ILE 62 3.423 16.977 -0.816
427 HG23 ILE 872 HG23 ILE 62 4.707 18.054 -0.213
428 HD11 ILE 872 HD11 ILE 62 5.602 14.230 0.640
429 HD12 ILE 872 HD12 ILE 62 5.476 15.699 -0.365
430 HD13 ILE 872 HD13 ILE 62 4.025 14.693 -0.072
431 H TYR 873 H TYR 63 3.334 20.519 1.894
432 HA TYR 873 HA TYR 63 0.772 20.750 3.285
433 HB2 TYR 873 HB2 TYR 63 2.807 22.810 2.374
434 HB3 TYR 873 HB3 TYR 63 1.278 23.201 3.131
435 HD1 TYR 873 HD1 TYR 63 0.743 22.276 5.450
436 HD2 TYR 873 HD2 TYR 63 4.714 22.246 3.755
437 HE1 TYR 873 HE1 TYR 63 1.714 21.961 7.720
438 HE2 TYR 873 HE2 TYR 63 5.683 21.957 6.025
439 HH TYR 873 HH TYR 63 5.248 21.868 8.302
440 H ARG 874 H ARG 64 1.214 19.621 0.568
441 HA ARG 874 HA ARG 64 -1.144 20.692 -0.712
442 HB2 ARG 874 HB2 ARG 64 -0.075 21.084 -2.906
443 HB3 ARG 874 HB3 ARG 64 0.443 22.254 -1.688
444 HG2 ARG 874 HG2 ARG 64 2.589 21.158 -1.424
445 HG3 ARG 874 HG3 ARG 64 2.065 19.763 -2.367
446 HD2 ARG 874 HD2 ARG 64 3.438 21.082 -3.806
447 HD3 ARG 874 HD3 ARG 64 1.766 21.205 -4.349
448 HE ARG 874 HE ARG 64 1.695 23.462 -3.772
449 HH11 ARG 874 HH11 ARG 64 4.786 22.202 -2.672
450 HH12 ARG 874 HH12 ARG 64 5.405 23.792 -2.334
451 HH21 ARG 874 HH21 ARG 64 2.557 25.440 -3.316
452 HH22 ARG 874 HH22 ARG 64 4.183 25.577 -2.717
453 H1 ALA 1 H1 ALA 65 0.123 5.071 4.325
454 H2 ALA 1 H2 ALA 65 1.645 5.408 3.779
455 H3 ALA 1 H3 ALA 65 1.429 4.373 5.035
456 HA ALA 1 HA ALA 65 1.973 3.196 3.042
457 HB1 ALA 1 HB1 ALA 65 -0.859 2.733 4.029
458 HB2 ALA 1 HB2 ALA 65 0.636 2.002 4.662
459 HB3 ALA 1 HB3 ALA 65 0.094 1.602 3.030
460 H ARG 2 H ARG 66 2.040 3.373 0.947
461 HA ARG 2 HA ARG 66 0.329 5.081 -0.598
462 HB2 ARG 2 HB2 ARG 66 1.610 4.521 -2.461
463 HB3 ARG 2 HB3 ARG 66 2.713 4.580 -1.115
464 HG2 ARG 2 HG2 ARG 66 1.730 2.147 -2.646
465 HG3 ARG 2 HG3 ARG 66 3.361 2.774 -2.554
466 HD2 ARG 2 HD2 ARG 66 3.607 2.059 -0.249
467 HD3 ARG 2 HD3 ARG 66 1.924 1.547 -0.152
468 HE ARG 2 HE ARG 66 4.139 0.060 -1.198
469 HH11 ARG 2 HH11 ARG 66 3.876 -1.956 -1.926
470 HH12 ARG 2 HH12 ARG 66 2.304 -2.570 -2.359
471 HH21 ARG 2 HH21 ARG 66 0.632 0.360 -1.580
472 HH22 ARG 2 HH22 ARG 66 0.500 -1.285 -2.155
473 H THR 3 H THR 67 -1.700 4.769 -1.014
474 HA THR 3 HA THR 67 -2.652 2.162 -2.161
475 HB THR 3 HB THR 67 -4.909 2.867 -1.518
476 HG1 THR 3 HG1 THR 67 -5.213 4.681 -0.272
477 HG21 THR 3 HG21 THR 67 -3.055 3.047 0.898
478 HG22 THR 3 HG22 THR 67 -3.538 1.528 0.109
479 HG23 THR 3 HG23 THR 67 -4.760 2.556 0.882
480 HH31 ALY 4 H26 ALY 68 -4.140 13.426 -6.036
481 HH32 ALY 4 H27 ALY 68 -4.471 12.683 -4.451
482 HH33 ALY 4 H28 ALY 68 -4.745 11.757 -5.943
483 HZ ALY 4 HZ1 ALY 68 -3.358 10.376 -4.409
484 HE3 ALY 4 HE3 ALY 68 -0.470 10.935 -4.454
485 HE2 ALY 4 HE2 ALY 68 -1.284 9.607 -3.619
486 HD3 ALY 4 HD3 ALY 68 -0.931 9.800 -6.644
487 HD2 ALY 4 HD2 ALY 68 0.169 8.916 -5.586
488 HG3 ALY 4 HG3 ALY 68 -2.804 8.274 -5.785
489 HG2 ALY 4 HG2 ALY 68 -1.581 7.553 -6.835
490 HB3 ALY 4 HB3 ALY 68 -0.430 6.546 -4.932
491 HB2 ALY 4 HB2 ALY 68 -1.487 7.361 -3.793
492 HCA ALY 4 HA ALY 68 -3.447 6.124 -4.955
493 H ALY 4 H ALY 68 -1.674 5.273 -2.949
494 H GLN 5 H GLN 69 -3.712 5.701 -7.121
495 HA GLN 5 HA GLN 69 -2.758 3.191 -8.189
496 HB2 GLN 5 HB2 GLN 69 -4.249 5.490 -9.523
497 HB3 GLN 5 HB3 GLN 69 -3.942 3.908 -10.253
498 HG2 GLN 5 HG2 GLN 69 -5.191 2.820 -8.378
499 HG3 GLN 5 HG3 GLN 69 -5.592 4.415 -7.735
500 HE21 GLN 5 HE21 GLN 69 -7.763 2.949 -8.188
501 HE22 GLN 5 HE22 GLN 69 -8.551 3.406 -9.692
502 H THR 6 H THR 70 -1.457 2.779 -10.004
503 HA THR 6 HA THR 70 0.912 4.453 -10.242
504 HB THR 6 HB THR 70 1.714 2.634 -11.730
505 HG1 THR 6 HG1 THR 70 0.385 0.837 -12.032
506 HG21 THR 6 HG21 THR 70 0.435 1.546 -9.182
507 HG22 THR 6 HG22 THR 70 1.965 2.446 -9.253
508 HG23 THR 6 HG23 THR 70 1.829 0.876 -10.059
509 H ALA 7 H ALA 71 -2.019 4.648 -11.881
510 HA ALA 7 HA ALA 71 -1.186 4.958 -14.581
511 HB1 ALA 7 HB1 ALA 71 -3.492 5.753 -14.909
512 HB2 ALA 7 HB2 ALA 71 -3.688 5.970 -13.159
513 HB3 ALA 7 HB3 ALA 71 -3.460 4.337 -13.844
514 H ARG 8 H ARG 72 -0.548 7.129 -12.072
515 HA ARG 8 HA ARG 72 0.091 9.342 -13.934
516 HB2 ARG 8 HB2 ARG 72 -1.550 9.673 -11.384
517 HB3 ARG 8 HB3 ARG 72 -0.792 11.001 -12.259
518 HG2 ARG 8 HG2 ARG 72 -2.980 9.187 -13.379
519 HG3 ARG 8 HG3 ARG 72 -3.208 10.806 -12.724
520 HD2 ARG 8 HD2 ARG 72 -1.755 11.759 -14.470
521 HD3 ARG 8 HD3 ARG 72 -1.490 10.165 -15.162
522 HE ARG 8 HE ARG 72 -3.925 11.814 -15.317
523 HH11 ARG 8 HH11 ARG 72 -5.462 11.291 -16.803
524 HH12 ARG 8 HH12 ARG 72 -5.430 9.746 -17.605
525 HH21 ARG 8 HH21 ARG 72 -2.624 8.604 -15.966
526 HH22 ARG 8 HH22 ARG 72 -3.858 8.274 -17.160
Start of MODEL 17
1 H1 GLY 811 H1 GLY 1 -7.114 28.711 1.994
2 H2 GLY 811 H2 GLY 1 -8.206 28.052 0.967
3 H3 GLY 811 H3 GLY 1 -7.337 29.360 0.505
4 HA2 GLY 811 HA2 GLY 1 -6.469 27.395 -0.579
5 HA3 GLY 811 HA3 GLY 1 -5.278 28.109 0.522
6 HA PRO 812 HA PRO 2 -6.049 23.537 1.201
7 HB2 PRO 812 HB2 PRO 2 -3.045 23.427 0.904
8 HB3 PRO 812 HB3 PRO 2 -4.272 22.264 0.321
9 HG2 PRO 812 HG2 PRO 2 -3.156 24.019 -1.401
10 HG3 PRO 812 HG3 PRO 2 -4.940 23.793 -1.433
11 HD2 PRO 812 HD2 PRO 2 -3.350 25.964 -0.024
12 HD3 PRO 812 HD3 PRO 2 -4.748 26.138 -1.127
13 H LEU 813 H LEU 3 -4.038 25.721 2.913
14 HA LEU 813 HA LEU 3 -2.632 24.154 4.697
15 HB2 LEU 813 HB2 LEU 3 -3.908 26.816 5.386
16 HB3 LEU 813 HB3 LEU 3 -2.566 26.060 6.230
17 HG LEU 813 HG LEU 3 -2.524 27.156 3.382
18 HD11 LEU 813 HD11 LEU 3 -1.162 28.053 5.954
19 HD12 LEU 813 HD12 LEU 3 -2.556 28.846 5.188
20 HD13 LEU 813 HD13 LEU 3 -0.991 28.822 4.359
21 HD21 LEU 813 HD21 LEU 3 -0.072 26.757 3.477
22 HD22 LEU 813 HD22 LEU 3 -0.987 25.247 3.509
23 HD23 LEU 813 HD23 LEU 3 -0.279 25.893 5.014
24 H GLY 814 H GLY 4 -3.057 22.780 6.219
25 HA2 GLY 814 HA2 GLY 4 -4.029 21.681 8.001
26 HA3 GLY 814 HA3 GLY 4 -5.093 23.064 8.247
27 H SER 815 H SER 5 -5.425 21.866 5.061
28 HA SER 815 HA SER 5 -7.540 19.928 5.681
29 HB2 SER 815 HB2 SER 5 -8.462 22.299 5.635
30 HB3 SER 815 HB3 SER 5 -8.073 22.329 3.905
31 HG SER 815 HG SER 5 -10.260 21.671 4.332
32 H VAL 816 H VAL 6 -4.812 19.886 4.404
33 HA VAL 816 HA VAL 6 -4.920 19.608 1.600
34 HB VAL 816 HB VAL 6 -3.062 18.434 3.718
35 HG11 VAL 816 HG11 VAL 6 -1.342 18.469 2.002
36 HG12 VAL 816 HG12 VAL 6 -2.566 18.913 0.790
37 HG13 VAL 816 HG13 VAL 6 -2.661 17.339 1.654
38 HG21 VAL 816 HG21 VAL 6 -2.741 21.000 2.128
39 HG22 VAL 816 HG22 VAL 6 -1.649 20.315 3.376
40 HG23 VAL 816 HG23 VAL 6 -3.212 20.933 3.840
41 H GLN 817 H GLN 7 -5.575 18.034 0.303
42 HA GLN 817 HA GLN 7 -6.156 15.345 1.452
43 HB2 GLN 817 HB2 GLN 7 -7.564 15.075 -0.497
44 HB3 GLN 817 HB3 GLN 7 -8.041 16.455 0.485
45 HG2 GLN 817 HG2 GLN 7 -7.996 17.798 -1.265
46 HG3 GLN 817 HG3 GLN 7 -6.292 17.553 -1.476
47 HE21 GLN 817 HE21 GLN 7 -9.097 15.247 -2.154
48 HE22 GLN 817 HE22 GLN 7 -8.657 15.112 -3.844
49 H HIS 818 H HIS 8 -4.878 13.633 0.954
50 HA HIS 818 HA HIS 8 -3.282 13.750 -1.598
51 HB2 HIS 818 HB2 HIS 8 -2.436 12.989 1.173
52 HB3 HIS 818 HB3 HIS 8 -1.758 12.149 -0.224
53 HD2 HIS 818 HD2 HIS 8 -1.281 15.335 1.666
54 HE1 HIS 818 HE1 HIS 8 0.520 16.037 -2.136
55 HE2 HIS 818 HE2 HIS 8 0.180 16.988 0.178
56 H VAL 819 H VAL 9 -5.040 12.851 -2.663
57 HA VAL 819 HA VAL 9 -6.013 10.217 -2.117
58 HB VAL 819 HB VAL 9 -6.365 11.809 -4.643
59 HG11 VAL 819 HG11 VAL 9 -8.379 10.313 -4.800
60 HG12 VAL 819 HG12 VAL 9 -7.791 9.411 -3.380
61 HG13 VAL 819 HG13 VAL 9 -6.870 9.389 -4.897
62 HG21 VAL 819 HG21 VAL 9 -7.240 13.017 -2.651
63 HG22 VAL 819 HG22 VAL 9 -8.021 11.531 -2.073
64 HG23 VAL 819 HG23 VAL 9 -8.581 12.321 -3.567
65 H GLY 820 H GLY 10 -4.076 9.269 -1.709
66 HA2 GLY 820 HA2 GLY 10 -3.081 7.296 -3.294
67 HA3 GLY 820 HA3 GLY 10 -2.174 8.700 -3.827
68 H PHE 821 H PHE 11 -2.718 9.327 -0.571
69 HA PHE 821 HA PHE 11 -0.489 7.543 0.380
70 HB2 PHE 821 HB2 PHE 11 -0.822 10.396 1.315
71 HB3 PHE 821 HB3 PHE 11 0.465 9.278 1.714
72 HD1 PHE 821 HD1 PHE 11 1.315 8.273 -1.006
73 HD2 PHE 821 HD2 PHE 11 0.383 12.191 0.488
74 HE1 PHE 821 HE1 PHE 11 2.584 9.288 -2.874
75 HE2 PHE 821 HE2 PHE 11 1.622 13.212 -1.394
76 HZ PHE 821 HZ PHE 11 2.693 11.791 -3.088
77 H LYS 822 H LYS 12 -1.823 6.086 1.274
78 HA LYS 822 HA LYS 12 -3.904 6.811 3.317
79 HB2 LYS 822 HB2 LYS 12 -4.577 5.105 1.918
80 HB3 LYS 822 HB3 LYS 12 -3.049 4.427 1.744
81 HG2 LYS 822 HG2 LYS 12 -4.036 4.107 4.567
82 HG3 LYS 822 HG3 LYS 12 -5.196 3.564 3.382
83 HD2 LYS 822 HD2 LYS 12 -3.385 2.166 2.297
84 HD3 LYS 822 HD3 LYS 12 -2.304 2.677 3.607
85 HE2 LYS 822 HE2 LYS 12 -3.211 0.437 3.945
86 HE3 LYS 822 HE3 LYS 12 -3.606 1.552 5.261
87 HZ1 LYS 822 HZ1 LYS 12 -5.521 0.134 4.516
88 HZ2 LYS 822 HZ2 LYS 12 -5.536 0.905 3.074
89 HZ3 LYS 822 HZ3 LYS 12 -5.856 1.728 4.462
90 H CYS 823 H CYS 13 -3.534 6.493 5.508
91 HA CYS 823 HA CYS 13 -0.894 6.714 6.563
92 HB2 CYS 823 HB2 CYS 13 -2.929 7.733 7.500
93 HB3 CYS 823 HB3 CYS 13 -3.579 6.127 7.780
94 H ASP 824 H ASP 14 0.168 5.424 7.985
95 HA ASP 824 HA ASP 14 -0.124 2.455 7.742
96 HB2 ASP 824 HB2 ASP 14 2.200 4.262 8.475
97 HB3 ASP 824 HB3 ASP 14 2.219 2.527 8.737
98 H ASN 825 H ASN 15 -0.139 5.065 10.126
99 HA ASN 825 HA ASN 15 0.085 3.362 12.469
100 HB2 ASN 825 HB2 ASN 15 0.495 5.785 12.601
101 HB3 ASN 825 HB3 ASN 15 -1.217 6.086 12.163
102 HD21 ASN 825 HD21 ASN 15 -1.880 7.085 14.069
103 HD22 ASN 825 HD22 ASN 15 -1.829 6.263 15.638
104 H CYS 826 H CYS 16 -2.817 4.868 10.932
105 HA CYS 826 HA CYS 16 -4.509 2.927 12.396
106 HB2 CYS 826 HB2 CYS 16 -6.078 4.572 12.713
107 HB3 CYS 826 HB3 CYS 16 -4.557 5.397 13.012
108 H GLY 827 H GLY 17 -3.536 3.707 9.195
109 HA2 GLY 827 HA2 GLY 17 -3.848 2.315 7.410
110 HA3 GLY 827 HA3 GLY 17 -5.218 1.561 8.192
111 H ILE 828 H ILE 18 -5.686 4.871 8.466
112 HA ILE 828 HA ILE 18 -7.906 4.886 6.810
113 HB ILE 828 HB ILE 18 -7.693 6.396 8.671
114 HG12 ILE 828 HG12 ILE 18 -7.830 8.066 6.130
115 HG13 ILE 828 HG13 ILE 18 -9.125 7.015 6.628
116 HG21 ILE 828 HG21 ILE 18 -5.250 6.928 8.494
117 HG22 ILE 828 HG22 ILE 18 -6.259 8.332 8.668
118 HG23 ILE 828 HG23 ILE 18 -5.572 7.933 7.079
119 HD11 ILE 828 HD11 ILE 18 -9.325 8.285 8.780
120 HD12 ILE 828 HD12 ILE 18 -9.680 9.235 7.324
121 HD13 ILE 828 HD13 ILE 18 -8.130 9.444 8.148
122 H GLU 829 H GLU 19 -8.370 5.558 4.861
123 HA GLU 829 HA GLU 19 -6.422 5.340 2.770
124 HB2 GLU 829 HB2 GLU 19 -9.188 6.435 2.642
125 HB3 GLU 829 HB3 GLU 19 -8.324 5.751 1.308
126 HG2 GLU 829 HG2 GLU 19 -9.521 4.222 3.633
127 HG3 GLU 829 HG3 GLU 19 -9.977 4.134 1.942
128 HA PRO 830 HA PRO 20 -4.671 9.128 1.361
129 HB2 PRO 830 HB2 PRO 20 -7.584 9.695 0.746
130 HB3 PRO 830 HB3 PRO 20 -6.110 10.155 -0.135
131 HG2 PRO 830 HG2 PRO 20 -7.640 7.816 -0.470
132 HG3 PRO 830 HG3 PRO 20 -6.045 8.110 -1.221
133 HD2 PRO 830 HD2 PRO 20 -6.383 6.146 0.656
134 HD3 PRO 830 HD3 PRO 20 -4.874 7.042 0.423
135 H ILE 831 H ILE 21 -3.879 9.847 3.217
136 HA ILE 831 HA ILE 21 -5.110 10.909 5.441
137 HB ILE 831 HB ILE 21 -2.423 11.532 4.163
138 HG12 ILE 831 HG12 ILE 21 -2.935 9.840 6.642
139 HG13 ILE 831 HG13 ILE 21 -3.105 9.139 5.056
140 HG21 ILE 831 HG21 ILE 21 -1.711 12.342 6.469
141 HG22 ILE 831 HG22 ILE 21 -3.422 12.350 6.922
142 HG23 ILE 831 HG23 ILE 21 -2.824 13.416 5.633
143 HD11 ILE 831 HD11 ILE 21 -0.859 8.763 5.947
144 HD12 ILE 831 HD12 ILE 21 -0.564 10.504 5.999
145 HD13 ILE 831 HD13 ILE 21 -0.834 9.703 4.439
146 H GLN 832 H GLN 22 -5.808 12.748 6.209
147 HA GLN 832 HA GLN 22 -6.159 15.022 4.310
148 HB2 GLN 832 HB2 GLN 22 -7.959 14.180 6.599
149 HB3 GLN 832 HB3 GLN 22 -8.232 15.518 5.483
150 HG2 GLN 832 HG2 GLN 22 -8.122 12.578 4.669
151 HG3 GLN 832 HG3 GLN 22 -9.583 13.480 4.988
152 HE21 GLN 832 HE21 GLN 22 -7.918 12.319 2.457
153 HE22 GLN 832 HE22 GLN 22 -8.408 13.525 1.264
154 H GLY 833 H GLY 23 -5.518 16.990 4.891
155 HA2 GLY 833 HA2 GLY 23 -5.628 18.763 6.653
156 HA3 GLY 833 HA3 GLY 23 -4.871 17.635 7.743
157 H VAL 834 H VAL 24 -2.829 16.655 6.864
158 HA VAL 834 HA VAL 24 -0.989 18.280 5.313
159 HB VAL 834 HB VAL 24 -1.076 19.202 7.643
160 HG11 VAL 834 HG11 VAL 24 -1.582 17.128 8.832
161 HG12 VAL 834 HG12 VAL 24 -0.237 18.045 9.533
162 HG13 VAL 834 HG13 VAL 24 0.100 16.591 8.561
163 HG21 VAL 834 HG21 VAL 24 1.026 19.483 6.443
164 HG22 VAL 834 HG22 VAL 24 1.567 17.853 6.953
165 HG23 VAL 834 HG23 VAL 24 1.359 19.159 8.140
166 H ARG 835 H ARG 25 0.641 16.820 4.439
167 HA ARG 835 HA ARG 25 0.227 13.914 5.062
168 HB2 ARG 835 HB2 ARG 25 0.615 14.667 2.679
169 HB3 ARG 835 HB3 ARG 25 2.204 15.227 3.173
170 HG2 ARG 835 HG2 ARG 25 2.630 12.768 3.945
171 HG3 ARG 835 HG3 ARG 25 1.192 12.384 2.994
172 HD2 ARG 835 HD2 ARG 25 2.324 13.411 0.993
173 HD3 ARG 835 HD3 ARG 25 3.746 13.735 2.000
174 HE ARG 835 HE ARG 25 3.190 10.997 2.332
175 HH11 ARG 835 HH11 ARG 25 4.419 12.945 -0.341
176 HH12 ARG 835 HH12 ARG 25 5.282 11.574 -0.976
177 HH21 ARG 835 HH21 ARG 25 4.189 9.473 1.559
178 HH22 ARG 835 HH22 ARG 25 5.128 9.548 0.087
179 H TRP 836 H TRP 26 1.577 12.820 6.472
180 HA TRP 836 HA TRP 26 4.150 14.167 7.243
181 HB2 TRP 836 HB2 TRP 26 2.473 12.173 8.766
182 HB3 TRP 836 HB3 TRP 26 4.137 12.482 9.116
183 HD1 TRP 836 HD1 TRP 26 0.811 14.107 9.520
184 HE1 TRP 836 HE1 TRP 26 1.097 16.274 10.981
185 HE3 TRP 836 HE3 TRP 26 5.838 14.544 9.302
186 HZ2 TRP 836 HZ2 TRP 26 3.293 17.632 12.243
187 HZ3 TRP 836 HZ3 TRP 26 7.067 16.105 10.791
188 HH2 TRP 836 HH2 TRP 26 5.818 17.602 12.300
189 H HIS 837 H HIS 27 5.353 13.624 5.553
190 HA HIS 837 HA HIS 27 5.582 10.795 4.602
191 HB2 HIS 837 HB2 HIS 27 5.611 12.529 2.896
192 HB3 HIS 837 HB3 HIS 27 6.849 13.442 3.762
193 HD2 HIS 837 HD2 HIS 27 9.204 13.153 2.801
194 HE1 HIS 837 HE1 HIS 27 8.880 9.241 1.131
195 HE2 HIS 837 HE2 HIS 27 10.419 11.249 1.447
196 H CYS 838 H CYS 28 7.092 9.425 5.454
197 HA CYS 838 HA CYS 28 8.921 10.300 7.530
198 HB2 CYS 838 HB2 CYS 28 7.718 8.136 7.340
199 HB3 CYS 838 HB3 CYS 28 8.855 7.780 6.028
200 H GLN 839 H GLN 29 10.925 10.942 7.378
201 HA GLN 839 HA GLN 29 11.908 11.818 4.820
202 HB2 GLN 839 HB2 GLN 29 13.179 11.808 7.586
203 HB3 GLN 839 HB3 GLN 29 13.888 12.573 6.169
204 HG2 GLN 839 HG2 GLN 29 11.742 13.905 5.893
205 HG3 GLN 839 HG3 GLN 29 11.269 13.362 7.500
206 HE21 GLN 839 HE21 GLN 29 12.403 16.017 6.052
207 HE22 GLN 839 HE22 GLN 29 13.506 16.604 7.298
208 H ASP 840 H ASP 30 12.792 9.077 6.954
209 HA ASP 840 HA ASP 30 15.127 8.472 5.185
210 HB2 ASP 840 HB2 ASP 30 15.279 8.698 7.735
211 HB3 ASP 840 HB3 ASP 30 14.202 7.374 7.780
212 H CYS 841 H CYS 31 11.900 7.184 5.967
213 HA CYS 841 HA CYS 31 12.322 4.512 5.021
214 HB2 CYS 841 HB2 CYS 31 9.881 6.248 5.222
215 HB3 CYS 841 HB3 CYS 31 9.810 4.744 4.353
216 HA PRO 842 HA PRO 32 13.028 5.495 0.743
217 HB2 PRO 842 HB2 PRO 32 12.877 3.056 -0.464
218 HB3 PRO 842 HB3 PRO 32 14.162 3.475 0.704
219 HG2 PRO 842 HG2 PRO 32 11.598 1.950 1.242
220 HG3 PRO 842 HG3 PRO 32 13.267 1.526 1.733
221 HD2 PRO 842 HD2 PRO 32 11.498 2.828 3.398
222 HD3 PRO 842 HD3 PRO 32 13.262 3.092 3.468
223 HA PRO 843 HA PRO 33 9.101 6.286 -1.239
224 HB2 PRO 843 HB2 PRO 33 10.510 5.488 -3.804
225 HB3 PRO 843 HB3 PRO 33 9.446 6.893 -3.500
226 HG2 PRO 843 HG2 PRO 33 12.114 7.240 -3.506
227 HG3 PRO 843 HG3 PRO 33 11.149 7.971 -2.177
228 HD2 PRO 843 HD2 PRO 33 12.737 5.388 -2.141
229 HD3 PRO 843 HD3 PRO 33 12.685 6.710 -0.935
230 H GLU 844 H GLU 34 10.722 3.276 -2.167
231 HA GLU 844 HA GLU 34 8.558 1.830 -3.267
232 HB2 GLU 844 HB2 GLU 34 10.924 1.179 -3.367
233 HB3 GLU 844 HB3 GLU 34 10.937 0.862 -1.625
234 HG2 GLU 844 HG2 GLU 34 9.444 -1.022 -1.882
235 HG3 GLU 844 HG3 GLU 34 9.060 -0.566 -3.545
236 H MET 845 H MET 35 9.329 2.471 0.095
237 HA MET 845 HA MET 35 7.061 0.790 1.078
238 HB2 MET 845 HB2 MET 35 9.225 2.354 2.533
239 HB3 MET 845 HB3 MET 35 7.920 1.458 3.321
240 HG2 MET 845 HG2 MET 35 9.983 0.218 1.470
241 HG3 MET 845 HG3 MET 35 10.094 0.248 3.223
242 HE1 MET 845 HE1 MET 35 8.798 -1.253 4.863
243 HE2 MET 845 HE2 MET 35 7.428 -2.290 4.427
244 HE3 MET 845 HE3 MET 35 7.243 -0.528 4.383
245 H SER 846 H SER 36 8.227 4.160 1.180
246 HA SER 846 HA SER 36 7.306 6.133 1.856
247 HB2 SER 846 HB2 SER 36 6.559 5.962 -0.438
248 HB3 SER 846 HB3 SER 36 5.084 5.124 0.066
249 HG SER 846 HG SER 36 4.403 6.972 1.125
250 H LEU 847 H LEU 37 7.156 5.476 4.165
251 HA LEU 847 HA LEU 37 4.454 4.745 5.056
252 HB2 LEU 847 HB2 LEU 37 7.076 4.954 6.542
253 HB3 LEU 847 HB3 LEU 37 5.547 5.103 7.398
254 HG LEU 847 HG LEU 37 4.964 2.910 5.883
255 HD11 LEU 847 HD11 LEU 37 7.897 2.550 6.432
256 HD12 LEU 847 HD12 LEU 37 7.173 2.853 4.849
257 HD13 LEU 847 HD13 LEU 37 6.764 1.372 5.745
258 HD21 LEU 847 HD21 LEU 37 4.798 3.188 8.376
259 HD22 LEU 847 HD22 LEU 37 6.430 2.469 8.424
260 HD23 LEU 847 HD23 LEU 37 5.075 1.588 7.703
261 H ASP 848 H ASP 38 3.028 5.969 6.172
262 HA ASP 848 HA ASP 38 3.452 8.894 6.109
263 HB2 ASP 848 HB2 ASP 38 1.186 7.492 4.655
264 HB3 ASP 848 HB3 ASP 38 1.379 9.221 4.889
265 H PHE 849 H PHE 39 2.095 10.079 7.436
266 HA PHE 849 HA PHE 39 0.072 8.588 9.034
267 HB2 PHE 849 HB2 PHE 39 2.141 10.383 10.352
268 HB3 PHE 849 HB3 PHE 39 0.949 9.350 11.098
269 HD1 PHE 849 HD1 PHE 39 1.120 6.896 10.920
270 HD2 PHE 849 HD2 PHE 39 4.253 9.433 9.464
271 HE1 PHE 849 HE1 PHE 39 2.647 4.927 10.832
272 HE2 PHE 849 HE2 PHE 39 5.752 7.477 9.264
273 HZ PHE 849 HZ PHE 39 4.958 5.201 9.956
274 H CYS 850 H CYS 40 -1.647 9.706 9.897
275 HA CYS 850 HA CYS 40 -2.429 12.175 8.813
276 HB2 CYS 850 HB2 CYS 40 -3.308 10.792 11.385
277 HB3 CYS 850 HB3 CYS 40 -4.252 11.976 10.482
278 H ASP 851 H ASP 41 -3.136 14.090 10.137
279 HA ASP 851 HA ASP 41 -1.030 15.489 11.378
280 HB2 ASP 851 HB2 ASP 41 -2.625 17.145 11.862
281 HB3 ASP 851 HB3 ASP 41 -3.069 16.463 10.317
282 H SER 852 H SER 42 -3.369 13.302 12.828
283 HA SER 852 HA SER 42 -2.454 13.820 15.562
284 HB2 SER 852 HB2 SER 42 -4.836 13.397 15.120
285 HB3 SER 852 HB3 SER 42 -4.436 11.793 14.478
286 HG SER 852 HG SER 42 -5.091 11.765 16.712
287 H CYS 853 H CYS 43 -2.164 11.214 13.094
288 HA CYS 853 HA CYS 43 -1.032 9.289 14.872
289 HB2 CYS 853 HB2 CYS 43 -1.200 9.519 11.874
290 HB3 CYS 853 HB3 CYS 43 -0.653 8.100 12.726
291 H SER 854 H SER 44 0.322 11.878 12.972
292 HA SER 854 HA SER 44 3.039 10.998 12.729
293 HB2 SER 854 HB2 SER 44 3.471 13.321 12.311
294 HB3 SER 854 HB3 SER 44 1.913 12.914 11.607
295 HG SER 854 HG SER 44 1.900 14.900 12.858
296 H ASP 855 H ASP 45 1.186 11.960 15.514
297 HA ASP 855 HA ASP 45 3.498 12.469 17.216
298 HB2 ASP 855 HB2 ASP 45 1.204 13.560 17.499
299 HB3 ASP 855 HB3 ASP 45 0.620 11.985 18.042
300 H CYS 856 H CYS 46 2.072 9.688 15.908
301 HA CYS 856 HA CYS 46 2.496 7.885 18.145
302 HB2 CYS 856 HB2 CYS 46 0.785 7.556 16.208
303 HB3 CYS 856 HB3 CYS 46 2.183 7.120 15.221
304 HG CYS 856 HG CYS 46 0.895 4.943 16.116
305 H LEU 857 H LEU 47 4.180 6.414 18.246
306 HA LEU 857 HA LEU 47 6.538 6.932 16.494
307 HB2 LEU 857 HB2 LEU 47 6.934 7.569 18.812
308 HB3 LEU 857 HB3 LEU 47 6.627 5.917 19.351
309 HG LEU 857 HG LEU 47 8.601 5.088 18.236
310 HD11 LEU 857 HD11 LEU 47 10.102 6.790 17.013
311 HD12 LEU 857 HD12 LEU 47 8.688 7.836 16.926
312 HD13 LEU 857 HD13 LEU 47 8.665 6.224 16.145
313 HD21 LEU 857 HD21 LEU 47 8.911 6.258 20.405
314 HD22 LEU 857 HD22 LEU 47 9.244 7.772 19.533
315 HD23 LEU 857 HD23 LEU 47 10.335 6.380 19.371
316 H HIS 858 H HIS 48 5.489 5.698 14.963
317 HA HIS 858 HA HIS 48 5.039 2.825 15.488
318 HB2 HIS 858 HB2 HIS 48 3.252 4.127 14.361
319 HB3 HIS 858 HB3 HIS 48 4.374 4.568 13.072
320 HD2 HIS 858 HD2 HIS 48 4.302 3.022 10.983
321 HE1 HIS 858 HE1 HIS 48 2.593 -0.474 12.728
322 HE2 HIS 858 HE2 HIS 48 3.382 0.587 10.556
323 H GLU 859 H GLU 49 6.044 1.168 14.208
324 HA GLU 859 HA GLU 49 8.255 1.950 12.474
325 HB2 GLU 859 HB2 GLU 49 8.698 -0.057 14.738
326 HB3 GLU 859 HB3 GLU 49 9.898 0.585 13.672
327 HG2 GLU 859 HG2 GLU 49 9.643 2.833 14.734
328 HG3 GLU 859 HG3 GLU 49 8.401 2.149 15.778
329 H THR 860 H THR 50 9.045 0.331 11.060
330 HA THR 860 HA THR 50 7.548 -2.283 11.099
331 HB THR 860 HB THR 50 7.254 -2.317 8.777
332 HG1 THR 860 HG1 THR 50 7.989 -0.615 7.451
333 HG21 THR 860 HG21 THR 50 5.562 -0.980 10.027
334 HG22 THR 860 HG22 THR 50 5.763 -0.467 8.336
335 HG23 THR 860 HG23 THR 50 6.452 0.496 9.667
336 H ASP 861 H ASP 51 9.083 -3.082 8.689
337 HA ASP 861 HA ASP 51 11.484 -4.137 9.956
338 HB2 ASP 861 HB2 ASP 51 10.408 -4.349 7.177
339 HB3 ASP 861 HB3 ASP 51 11.829 -5.190 7.764
340 H ILE 862 H ILE 52 10.592 -1.539 7.793
341 HA ILE 862 HA ILE 52 13.427 -0.732 7.521
342 HB ILE 862 HB ILE 52 11.074 -0.167 5.733
343 HG12 ILE 862 HG12 ILE 52 13.750 -1.659 5.548
344 HG13 ILE 862 HG13 ILE 52 12.149 -2.390 5.547
345 HG21 ILE 862 HG21 ILE 52 13.817 1.111 6.001
346 HG22 ILE 862 HG22 ILE 52 12.233 1.918 5.897
347 HG23 ILE 862 HG23 ILE 52 12.915 1.134 4.471
348 HD11 ILE 862 HD11 ILE 52 11.641 -1.316 3.408
349 HD12 ILE 862 HD12 ILE 52 13.011 -2.438 3.342
350 HD13 ILE 862 HD13 ILE 52 13.323 -0.696 3.353
351 H HIS 863 H HIS 53 10.149 0.371 8.387
352 HA HIS 863 HA HIS 53 11.002 3.093 8.992
353 HB2 HIS 863 HB2 HIS 53 8.750 2.807 8.401
354 HB3 HIS 863 HB3 HIS 53 8.482 1.463 9.399
355 HD1 HIS 863 HD1 HIS 53 9.804 3.750 12.036
356 HD2 HIS 863 HD2 HIS 53 6.771 4.064 10.782
357 HE1 HIS 863 HE1 HIS 53 9.556 6.132 11.423
358 H LYS 864 H LYS 54 12.038 3.699 10.838
359 HA LYS 864 HA LYS 54 11.416 2.146 13.309
360 HB2 LYS 864 HB2 LYS 54 14.182 2.948 12.328
361 HB3 LYS 864 HB3 LYS 54 13.762 2.286 13.896
362 HG2 LYS 864 HG2 LYS 54 13.435 0.822 11.181
363 HG3 LYS 864 HG3 LYS 54 14.782 0.645 12.273
364 HD2 LYS 864 HD2 LYS 54 13.237 -0.275 14.039
365 HD3 LYS 864 HD3 LYS 54 11.937 -0.189 12.911
366 HE2 LYS 864 HE2 LYS 54 12.592 -2.361 12.635
367 HE3 LYS 864 HE3 LYS 54 13.358 -1.564 11.275
368 HZ1 LYS 864 HZ1 LYS 54 14.906 -3.072 12.421
369 HZ2 LYS 864 HZ2 LYS 54 14.717 -2.287 13.840
370 HZ3 LYS 864 HZ3 LYS 54 15.460 -1.547 12.579
371 H GLU 865 H GLU 55 12.117 3.198 15.329
372 HA GLU 865 HA GLU 55 11.521 5.994 15.452
373 HB2 GLU 865 HB2 GLU 55 11.959 5.752 17.796
374 HB3 GLU 865 HB3 GLU 55 11.127 4.312 17.223
375 HG2 GLU 865 HG2 GLU 55 13.431 3.188 17.087
376 HG3 GLU 865 HG3 GLU 55 14.104 4.617 17.868
377 H ASP 866 H ASP 56 14.268 4.611 14.196
378 HA ASP 866 HA ASP 56 16.367 6.297 15.224
379 HB2 ASP 866 HB2 ASP 56 16.090 4.534 12.821
380 HB3 ASP 866 HB3 ASP 56 17.564 5.383 13.223
381 H HIS 867 H HIS 57 13.758 6.699 12.859
382 HA HIS 867 HA HIS 57 15.039 9.104 11.774
383 HB2 HIS 867 HB2 HIS 57 13.713 8.451 9.758
384 HB3 HIS 867 HB3 HIS 57 15.162 7.543 10.077
385 HD1 HIS 867 HD1 HIS 57 14.566 5.508 8.717
386 HD2 HIS 867 HD2 HIS 57 11.517 6.957 11.164
387 HE1 HIS 867 HE1 HIS 57 12.352 5.053 7.543
388 H GLN 868 H GLN 58 13.092 10.157 10.502
389 HA GLN 868 HA GLN 58 10.838 10.632 12.256
390 HB2 GLN 868 HB2 GLN 58 11.320 12.909 12.840
391 HB3 GLN 868 HB3 GLN 58 12.632 11.886 13.386
392 HG2 GLN 868 HG2 GLN 58 12.682 13.631 10.885
393 HG3 GLN 868 HG3 GLN 58 13.399 14.051 12.436
394 HE21 GLN 868 HE21 GLN 58 14.420 13.221 9.516
395 HE22 GLN 868 HE22 GLN 58 15.719 12.091 9.922
396 H LEU 869 H LEU 59 9.473 12.456 11.520
397 HA LEU 869 HA LEU 59 8.954 12.091 8.611
398 HB2 LEU 869 HB2 LEU 59 7.077 13.249 10.684
399 HB3 LEU 869 HB3 LEU 59 6.694 12.522 9.127
400 HG LEU 869 HG LEU 59 5.810 11.136 10.682
401 HD11 LEU 869 HD11 LEU 59 6.970 9.023 10.509
402 HD12 LEU 869 HD12 LEU 59 8.456 9.844 10.004
403 HD13 LEU 869 HD13 LEU 59 6.980 9.936 8.978
404 HD21 LEU 869 HD21 LEU 59 7.003 11.977 12.711
405 HD22 LEU 869 HD22 LEU 59 8.339 10.861 12.326
406 HD23 LEU 869 HD23 LEU 59 6.722 10.236 12.661
407 H GLU 870 H GLU 60 8.012 13.766 7.333
408 HA GLU 870 HA GLU 60 8.505 16.505 8.370
409 HB2 GLU 870 HB2 GLU 60 9.209 17.248 6.230
410 HB3 GLU 870 HB3 GLU 60 10.289 16.052 6.909
411 HG2 GLU 870 HG2 GLU 60 9.448 14.356 5.357
412 HG3 GLU 870 HG3 GLU 60 8.231 15.483 4.738
413 HA PRO 871 HA PRO 61 4.233 16.966 7.304
414 HB2 PRO 871 HB2 PRO 61 3.827 19.555 7.959
415 HB3 PRO 871 HB3 PRO 61 4.211 18.315 9.193
416 HG2 PRO 871 HG2 PRO 61 6.095 20.299 7.885
417 HG3 PRO 871 HG3 PRO 61 5.953 19.885 9.622
418 HD2 PRO 871 HD2 PRO 61 7.828 18.758 7.916
419 HD3 PRO 871 HD3 PRO 61 7.166 17.925 9.348
420 H ILE 872 H ILE 62 3.018 17.572 5.501
421 HA ILE 872 HA ILE 62 4.169 19.584 3.613
422 HB ILE 872 HB ILE 62 2.534 17.276 2.671
423 HG12 ILE 872 HG12 ILE 62 4.506 16.222 3.852
424 HG13 ILE 872 HG13 ILE 62 4.318 15.828 2.183
425 HG21 ILE 872 HG21 ILE 62 4.604 19.046 1.298
426 HG22 ILE 872 HG22 ILE 62 2.861 19.251 1.206
427 HG23 ILE 872 HG23 ILE 62 3.602 17.804 0.514
428 HD11 ILE 872 HD11 ILE 62 6.675 16.297 2.907
429 HD12 ILE 872 HD12 ILE 62 6.206 17.997 3.156
430 HD13 ILE 872 HD13 ILE 62 6.134 17.284 1.529
431 H TYR 873 H TYR 63 2.911 21.226 3.430
432 HA TYR 873 HA TYR 63 0.192 21.159 4.509
433 HB2 TYR 873 HB2 TYR 63 2.111 23.438 3.950
434 HB3 TYR 873 HB3 TYR 63 0.498 23.614 4.619
435 HD1 TYR 873 HD1 TYR 63 3.960 22.995 5.427
436 HD2 TYR 873 HD2 TYR 63 -0.087 22.377 6.803
437 HE1 TYR 873 HE1 TYR 63 4.800 22.601 7.732
438 HE2 TYR 873 HE2 TYR 63 0.761 21.974 9.112
439 HH TYR 873 HH TYR 63 4.227 22.262 9.955
440 H ARG 874 H ARG 64 1.080 20.291 1.751
441 HA ARG 874 HA ARG 64 -1.231 21.237 0.290
442 HB2 ARG 874 HB2 ARG 64 0.061 21.973 -1.700
443 HB3 ARG 874 HB3 ARG 64 0.254 23.025 -0.291
444 HG2 ARG 874 HG2 ARG 64 2.465 22.118 0.175
445 HG3 ARG 874 HG3 ARG 64 2.265 20.865 -1.063
446 HD2 ARG 874 HD2 ARG 64 2.103 22.579 -2.808
447 HD3 ARG 874 HD3 ARG 64 2.274 23.859 -1.583
448 HE ARG 874 HE ARG 64 4.493 22.059 -1.394
449 HH11 ARG 874 HH11 ARG 64 3.335 24.562 -3.564
450 HH12 ARG 874 HH12 ARG 64 4.939 24.934 -4.133
451 HH21 ARG 874 HH21 ARG 64 6.506 22.594 -2.164
452 HH22 ARG 874 HH22 ARG 64 6.686 23.850 -3.351
453 H1 ALA 1 H1 ALA 65 0.728 5.431 3.471
454 H2 ALA 1 H2 ALA 65 2.294 5.824 3.147
455 H3 ALA 1 H3 ALA 65 1.947 4.734 4.332
456 HA ALA 1 HA ALA 65 2.790 3.657 2.389
457 HB1 ALA 1 HB1 ALA 65 -0.138 3.051 2.925
458 HB2 ALA 1 HB2 ALA 65 1.253 2.394 3.815
459 HB3 ALA 1 HB3 ALA 65 1.024 1.973 2.113
460 H ARG 2 H ARG 66 2.973 3.627 0.264
461 HA ARG 2 HA ARG 66 1.670 5.615 -1.357
462 HB2 ARG 2 HB2 ARG 66 2.899 4.371 -3.264
463 HB3 ARG 2 HB3 ARG 66 3.795 5.251 -2.050
464 HG2 ARG 2 HG2 ARG 66 4.884 3.173 -2.707
465 HG3 ARG 2 HG3 ARG 66 4.575 3.247 -0.987
466 HD2 ARG 2 HD2 ARG 66 2.711 1.661 -1.194
467 HD3 ARG 2 HD3 ARG 66 2.909 1.651 -2.967
468 HE ARG 2 HE ARG 66 5.410 0.988 -1.738
469 HH11 ARG 2 HH11 ARG 66 6.207 -0.960 -1.650
470 HH12 ARG 2 HH12 ARG 66 5.205 -2.387 -1.865
471 HH21 ARG 2 HH21 ARG 66 2.298 -0.553 -2.266
472 HH22 ARG 2 HH22 ARG 66 3.000 -2.146 -2.210
473 H THR 3 H THR 67 -0.208 5.638 -2.253
474 HA THR 3 HA THR 67 -1.149 3.297 -3.827
475 HB THR 3 HB THR 67 -3.490 3.817 -3.227
476 HG1 THR 3 HG1 THR 67 -3.924 5.145 -1.496
477 HG21 THR 3 HG21 THR 67 -1.882 3.268 -0.701
478 HG22 THR 3 HG22 THR 67 -2.236 2.053 -1.955
479 HG23 THR 3 HG23 THR 67 -3.560 2.806 -1.052
480 HH31 ALY 4 H26 ALY 68 -2.648 15.476 -5.109
481 HH32 ALY 4 H27 ALY 68 -1.026 15.338 -4.397
482 HH33 ALY 4 H28 ALY 68 -2.458 15.134 -3.372
483 HZ ALY 4 HZ1 ALY 68 -0.586 13.200 -3.276
484 HE3 ALY 4 HE3 ALY 68 -0.568 10.839 -3.293
485 HE2 ALY 4 HE2 ALY 68 -1.918 10.858 -4.441
486 HD3 ALY 4 HD3 ALY 68 -0.084 11.831 -6.110
487 HD2 ALY 4 HD2 ALY 68 1.054 11.060 -5.006
488 HG3 ALY 4 HG3 ALY 68 -1.311 9.679 -6.344
489 HG2 ALY 4 HG2 ALY 68 0.310 9.698 -7.026
490 HB3 ALY 4 HB3 ALY 68 1.199 8.286 -5.339
491 HB2 ALY 4 HB2 ALY 68 -0.123 8.597 -4.245
492 HCA ALY 4 HA ALY 68 -1.681 7.483 -5.954
493 H ALY 4 H ALY 68 0.243 6.083 -4.237
494 H GLN 5 H GLN 69 -1.888 5.761 -7.512
495 HA GLN 5 HA GLN 69 0.301 4.810 -9.113
496 HB2 GLN 5 HB2 GLN 69 -2.704 4.823 -9.608
497 HB3 GLN 5 HB3 GLN 69 -1.554 3.993 -10.642
498 HG2 GLN 5 HG2 GLN 69 -1.952 3.394 -7.668
499 HG3 GLN 5 HG3 GLN 69 -2.705 2.514 -8.988
500 HE21 GLN 5 HE21 GLN 69 0.243 0.511 -7.993
501 HE22 GLN 5 HE22 GLN 69 -1.284 0.987 -7.261
502 H THR 6 H THR 70 1.014 5.293 -11.148
503 HA THR 6 HA THR 70 0.885 8.037 -12.015
504 HB THR 6 HB THR 70 2.002 5.613 -13.467
505 HG1 THR 6 HG1 THR 70 3.276 7.379 -11.634
506 HG21 THR 6 HG21 THR 70 2.020 7.518 -14.964
507 HG22 THR 6 HG22 THR 70 3.664 7.246 -14.384
508 HG23 THR 6 HG23 THR 70 2.690 8.574 -13.706
509 H ALA 7 H ALA 71 -0.821 5.120 -13.091
510 HA ALA 7 HA ALA 71 -1.615 6.070 -15.666
511 HB1 ALA 7 HB1 ALA 71 -1.500 3.684 -15.029
512 HB2 ALA 7 HB2 ALA 71 -3.120 4.107 -15.617
513 HB3 ALA 7 HB3 ALA 71 -2.838 3.921 -13.877
514 H ARG 8 H ARG 72 -3.673 6.586 -16.448
515 HA ARG 8 HA ARG 72 -5.500 7.922 -16.659
516 HB2 ARG 8 HB2 ARG 72 -6.355 6.646 -14.035
517 HB3 ARG 8 HB3 ARG 72 -7.401 7.444 -15.198
518 HG2 ARG 8 HG2 ARG 72 -5.864 4.850 -15.618
519 HG3 ARG 8 HG3 ARG 72 -7.591 5.017 -15.363
520 HD2 ARG 8 HD2 ARG 72 -6.049 6.030 -17.786
521 HD3 ARG 8 HD3 ARG 72 -7.053 4.580 -17.717
522 HE ARG 8 HE ARG 72 -8.735 6.662 -16.920
523 HH11 ARG 8 HH11 ARG 72 -7.008 5.854 -19.856
524 HH12 ARG 8 HH12 ARG 72 -8.167 6.670 -20.874
525 HH21 ARG 8 HH21 ARG 72 -10.153 7.722 -18.265
526 HH22 ARG 8 HH22 ARG 72 -9.901 7.702 -19.983
Start of MODEL 18
1 H1 GLY 811 H1 GLY 1 0.627 29.608 2.533
2 H2 GLY 811 H2 GLY 1 1.522 29.167 1.231
3 H3 GLY 811 H3 GLY 1 1.549 28.258 2.592
4 HA2 GLY 811 HA2 GLY 1 -0.794 28.645 0.829
5 HA3 GLY 811 HA3 GLY 1 0.193 27.179 0.897
6 HA PRO 812 HA PRO 2 -3.582 26.955 3.718
7 HB2 PRO 812 HB2 PRO 2 -3.808 24.341 2.220
8 HB3 PRO 812 HB3 PRO 2 -5.112 25.411 2.817
9 HG2 PRO 812 HG2 PRO 2 -4.422 25.468 0.205
10 HG3 PRO 812 HG3 PRO 2 -4.638 27.026 1.073
11 HD2 PRO 812 HD2 PRO 2 -2.045 25.545 0.502
12 HD3 PRO 812 HD3 PRO 2 -2.446 27.271 0.225
13 H LEU 813 H LEU 3 -3.917 25.692 5.571
14 HA LEU 813 HA LEU 3 -2.560 23.174 5.978
15 HB2 LEU 813 HB2 LEU 3 -1.339 23.678 7.932
16 HB3 LEU 813 HB3 LEU 3 -0.757 24.713 6.651
17 HG LEU 813 HG LEU 3 -2.622 25.665 8.865
18 HD11 LEU 813 HD11 LEU 3 -0.461 24.906 9.767
19 HD12 LEU 813 HD12 LEU 3 -0.607 26.663 9.854
20 HD13 LEU 813 HD13 LEU 3 0.399 25.920 8.584
21 HD21 LEU 813 HD21 LEU 3 -0.971 27.137 6.763
22 HD22 LEU 813 HD22 LEU 3 -1.712 27.924 8.177
23 HD23 LEU 813 HD23 LEU 3 -2.736 27.174 6.956
24 H GLY 814 H GLY 4 -3.530 21.894 7.467
25 HA2 GLY 814 HA2 GLY 4 -4.899 21.340 9.329
26 HA3 GLY 814 HA3 GLY 4 -5.620 22.945 9.308
27 H SER 815 H SER 5 -5.861 22.265 6.183
28 HA SER 815 HA SER 5 -8.284 20.567 6.308
29 HB2 SER 815 HB2 SER 5 -7.894 23.168 4.801
30 HB3 SER 815 HB3 SER 5 -9.361 22.179 4.754
31 HG SER 815 HG SER 5 -9.700 22.624 6.950
32 H VAL 816 H VAL 6 -5.258 20.460 4.949
33 HA VAL 816 HA VAL 6 -5.885 20.117 2.162
34 HB VAL 816 HB VAL 6 -3.465 19.359 3.840
35 HG11 VAL 816 HG11 VAL 6 -2.175 19.379 1.867
36 HG12 VAL 816 HG12 VAL 6 -3.597 19.806 0.871
37 HG13 VAL 816 HG13 VAL 6 -3.498 18.229 1.688
38 HG21 VAL 816 HG21 VAL 6 -2.436 21.443 3.110
39 HG22 VAL 816 HG22 VAL 6 -3.934 21.829 3.936
40 HG23 VAL 816 HG23 VAL 6 -3.882 21.868 2.161
41 H GLN 817 H GLN 7 -6.560 18.351 1.105
42 HA GLN 817 HA GLN 7 -6.775 15.793 2.587
43 HB2 GLN 817 HB2 GLN 7 -8.144 15.138 0.661
44 HB3 GLN 817 HB3 GLN 7 -8.764 16.517 1.562
45 HG2 GLN 817 HG2 GLN 7 -8.969 17.713 -0.280
46 HG3 GLN 817 HG3 GLN 7 -7.248 17.631 -0.576
47 HE21 GLN 817 HE21 GLN 7 -6.434 15.650 -1.698
48 HE22 GLN 817 HE22 GLN 7 -7.454 15.013 -3.008
49 H HIS 818 H HIS 8 -5.353 14.172 2.387
50 HA HIS 818 HA HIS 8 -3.590 14.072 -0.020
51 HB2 HIS 818 HB2 HIS 8 -3.046 12.478 2.459
52 HB3 HIS 818 HB3 HIS 8 -1.938 13.141 1.263
53 HD2 HIS 818 HD2 HIS 8 -1.981 16.063 1.294
54 HE1 HIS 818 HE1 HIS 8 -2.902 16.183 5.439
55 HE2 HIS 818 HE2 HIS 8 -2.143 17.577 3.421
56 H VAL 819 H VAL 9 -5.839 13.248 -0.936
57 HA VAL 819 HA VAL 9 -6.536 10.489 -0.666
58 HB VAL 819 HB VAL 9 -6.843 12.335 -3.003
59 HG11 VAL 819 HG11 VAL 9 -8.045 9.565 -2.556
60 HG12 VAL 819 HG12 VAL 9 -6.904 10.019 -3.849
61 HG13 VAL 819 HG13 VAL 9 -8.526 10.710 -3.823
62 HG21 VAL 819 HG21 VAL 9 -8.786 11.301 -0.879
63 HG22 VAL 819 HG22 VAL 9 -9.208 12.376 -2.233
64 HG23 VAL 819 HG23 VAL 9 -8.129 12.950 -0.956
65 H GLY 820 H GLY 10 -5.567 8.685 -1.153
66 HA2 GLY 820 HA2 GLY 10 -4.095 7.275 -2.368
67 HA3 GLY 820 HA3 GLY 10 -3.166 8.676 -2.900
68 H PHE 821 H PHE 11 -3.592 9.256 0.353
69 HA PHE 821 HA PHE 11 -1.245 7.601 1.211
70 HB2 PHE 821 HB2 PHE 11 -1.639 10.537 1.799
71 HB3 PHE 821 HB3 PHE 11 -0.229 9.541 2.125
72 HD1 PHE 821 HD1 PHE 11 -1.961 11.612 -0.274
73 HD2 PHE 821 HD2 PHE 11 1.296 8.881 0.284
74 HE1 PHE 821 HE1 PHE 11 -0.913 12.492 -2.337
75 HE2 PHE 821 HE2 PHE 11 2.309 9.670 -1.866
76 HZ PHE 821 HZ PHE 11 1.239 11.555 -3.104
77 H LYS 822 H LYS 12 -2.517 6.220 2.382
78 HA LYS 822 HA LYS 12 -4.150 7.166 4.702
79 HB2 LYS 822 HB2 LYS 12 -5.182 5.424 3.645
80 HB3 LYS 822 HB3 LYS 12 -3.747 4.625 3.200
81 HG2 LYS 822 HG2 LYS 12 -4.158 4.539 6.181
82 HG3 LYS 822 HG3 LYS 12 -5.533 3.992 5.296
83 HD2 LYS 822 HD2 LYS 12 -3.973 2.410 4.017
84 HD3 LYS 822 HD3 LYS 12 -2.709 2.934 5.157
85 HE2 LYS 822 HE2 LYS 12 -3.648 0.840 5.889
86 HE3 LYS 822 HE3 LYS 12 -4.007 2.119 7.056
87 HZ1 LYS 822 HZ1 LYS 12 -6.289 2.225 6.165
88 HZ2 LYS 822 HZ2 LYS 12 -5.957 0.693 6.611
89 HZ3 LYS 822 HZ3 LYS 12 -5.954 1.088 5.030
90 H CYS 823 H CYS 13 -3.406 6.924 6.833
91 HA CYS 823 HA CYS 13 -0.591 7.170 7.283
92 HB2 CYS 823 HB2 CYS 13 -2.360 8.374 8.482
93 HB3 CYS 823 HB3 CYS 13 -2.979 6.853 9.090
94 H ASP 824 H ASP 14 0.687 5.968 8.635
95 HA ASP 824 HA ASP 14 0.313 2.991 8.695
96 HB2 ASP 824 HB2 ASP 14 2.767 4.781 8.887
97 HB3 ASP 824 HB3 ASP 14 2.787 3.068 9.251
98 H ASN 825 H ASN 15 0.799 5.825 10.745
99 HA ASN 825 HA ASN 15 1.459 4.393 13.163
100 HB2 ASN 825 HB2 ASN 15 1.911 6.800 12.736
101 HB3 ASN 825 HB3 ASN 15 0.171 7.135 12.829
102 HD21 ASN 825 HD21 ASN 15 -0.133 8.183 14.768
103 HD22 ASN 825 HD22 ASN 15 0.525 7.601 16.305
104 H CYS 826 H CYS 16 -1.665 5.882 12.116
105 HA CYS 826 HA CYS 16 -3.057 4.211 14.124
106 HB2 CYS 826 HB2 CYS 16 -4.504 5.966 14.529
107 HB3 CYS 826 HB3 CYS 16 -2.924 6.730 14.453
108 H GLY 827 H GLY 17 -2.821 4.697 10.690
109 HA2 GLY 827 HA2 GLY 17 -3.537 3.233 9.135
110 HA3 GLY 827 HA3 GLY 17 -4.589 2.437 10.274
111 H ILE 828 H ILE 18 -5.044 5.841 10.402
112 HA ILE 828 HA ILE 18 -7.594 5.843 9.261
113 HB ILE 828 HB ILE 18 -6.845 7.613 10.745
114 HG12 ILE 828 HG12 ILE 18 -7.411 8.872 8.024
115 HG13 ILE 828 HG13 ILE 18 -8.640 8.036 8.926
116 HG21 ILE 828 HG21 ILE 18 -5.021 8.594 8.485
117 HG22 ILE 828 HG22 ILE 18 -4.476 7.857 9.989
118 HG23 ILE 828 HG23 ILE 18 -5.335 9.378 10.042
119 HD11 ILE 828 HD11 ILE 18 -8.337 9.614 10.837
120 HD12 ILE 828 HD12 ILE 18 -8.902 10.370 9.335
121 HD13 ILE 828 HD13 ILE 18 -7.213 10.558 9.825
122 H GLU 829 H GLU 19 -8.325 6.285 7.296
123 HA GLU 829 HA GLU 19 -6.885 5.616 4.926
124 HB2 GLU 829 HB2 GLU 19 -9.353 7.210 4.808
125 HB3 GLU 829 HB3 GLU 19 -8.889 5.795 3.875
126 HG2 GLU 829 HG2 GLU 19 -10.090 5.785 6.635
127 HG3 GLU 829 HG3 GLU 19 -10.796 5.191 5.142
128 HA PRO 830 HA PRO 20 -5.253 9.124 2.882
129 HB2 PRO 830 HB2 PRO 20 -7.982 10.218 2.183
130 HB3 PRO 830 HB3 PRO 20 -6.414 10.420 1.339
131 HG2 PRO 830 HG2 PRO 20 -8.117 8.494 0.576
132 HG3 PRO 830 HG3 PRO 20 -6.366 8.136 0.697
133 HD2 PRO 830 HD2 PRO 20 -8.605 7.471 2.581
134 HD3 PRO 830 HD3 PRO 20 -7.102 6.542 2.261
135 H ILE 831 H ILE 21 -4.206 10.343 4.220
136 HA ILE 831 HA ILE 21 -5.185 11.459 6.578
137 HB ILE 831 HB ILE 21 -2.665 12.015 4.987
138 HG12 ILE 831 HG12 ILE 21 -2.846 10.415 7.561
139 HG13 ILE 831 HG13 ILE 21 -3.257 9.646 6.044
140 HG21 ILE 831 HG21 ILE 21 -3.157 12.763 7.908
141 HG22 ILE 831 HG22 ILE 21 -2.896 13.912 6.582
142 HG23 ILE 831 HG23 ILE 21 -1.599 12.856 7.070
143 HD11 ILE 831 HD11 ILE 21 -0.581 10.961 6.622
144 HD12 ILE 831 HD12 ILE 21 -1.071 10.215 5.090
145 HD13 ILE 831 HD13 ILE 21 -0.928 9.234 6.562
146 H GLN 832 H GLN 22 -5.318 13.605 7.375
147 HA GLN 832 HA GLN 22 -5.983 15.629 5.286
148 HB2 GLN 832 HB2 GLN 22 -7.576 15.134 7.837
149 HB3 GLN 832 HB3 GLN 22 -7.968 16.278 6.562
150 HG2 GLN 832 HG2 GLN 22 -7.942 13.236 6.185
151 HG3 GLN 832 HG3 GLN 22 -9.334 14.164 6.643
152 HE21 GLN 832 HE21 GLN 22 -8.247 12.626 4.048
153 HE22 GLN 832 HE22 GLN 22 -8.949 13.672 2.808
154 H GLY 833 H GLY 23 -5.241 17.592 5.592
155 HA2 GLY 833 HA2 GLY 23 -5.084 19.487 7.281
156 HA3 GLY 833 HA3 GLY 23 -4.094 18.411 8.232
157 H VAL 834 H VAL 24 -2.242 17.483 7.196
158 HA VAL 834 HA VAL 24 -0.746 18.836 5.105
159 HB VAL 834 HB VAL 24 -0.449 20.081 7.268
160 HG11 VAL 834 HG11 VAL 24 0.801 19.200 9.076
161 HG12 VAL 834 HG12 VAL 24 0.983 17.635 8.241
162 HG13 VAL 834 HG13 VAL 24 -0.630 18.184 8.777
163 HG21 VAL 834 HG21 VAL 24 1.351 20.183 5.581
164 HG22 VAL 834 HG22 VAL 24 2.056 18.671 6.214
165 HG23 VAL 834 HG23 VAL 24 2.052 20.143 7.199
166 H ARG 835 H ARG 25 0.621 17.198 4.124
167 HA ARG 835 HA ARG 25 0.161 14.432 5.132
168 HB2 ARG 835 HB2 ARG 25 0.274 15.196 2.595
169 HB3 ARG 835 HB3 ARG 25 2.005 15.178 2.877
170 HG2 ARG 835 HG2 ARG 25 1.867 12.780 3.542
171 HG3 ARG 835 HG3 ARG 25 0.156 12.781 3.103
172 HD2 ARG 835 HD2 ARG 25 0.639 12.935 0.815
173 HD3 ARG 835 HD3 ARG 25 2.150 13.807 1.081
174 HE ARG 835 HE ARG 25 2.100 11.001 2.031
175 HH11 ARG 835 HH11 ARG 25 3.236 13.013 -0.648
176 HH12 ARG 835 HH12 ARG 25 4.527 11.886 -0.965
177 HH21 ARG 835 HH21 ARG 25 3.566 9.739 1.564
178 HH22 ARG 835 HH22 ARG 25 4.828 10.113 0.395
179 H TRP 836 H TRP 26 2.048 13.012 5.564
180 HA TRP 836 HA TRP 26 4.594 14.454 6.081
181 HB2 TRP 836 HB2 TRP 26 3.381 12.625 8.161
182 HB3 TRP 836 HB3 TRP 26 5.027 13.086 8.076
183 HD1 TRP 836 HD1 TRP 26 1.702 14.766 8.891
184 HE1 TRP 836 HE1 TRP 26 2.225 17.019 10.082
185 HE3 TRP 836 HE3 TRP 26 6.659 15.142 7.836
186 HZ2 TRP 836 HZ2 TRP 26 4.557 18.505 10.832
187 HZ3 TRP 836 HZ3 TRP 26 8.069 16.870 8.902
188 HH2 TRP 836 HH2 TRP 26 7.037 18.553 10.429
189 H HIS 837 H HIS 27 5.552 13.733 4.404
190 HA HIS 837 HA HIS 27 5.458 10.889 3.511
191 HB2 HIS 837 HB2 HIS 27 5.270 12.623 1.807
192 HB3 HIS 837 HB3 HIS 27 6.659 13.473 2.421
193 HD2 HIS 837 HD2 HIS 27 9.006 12.870 1.488
194 HE1 HIS 837 HE1 HIS 27 7.978 9.387 -0.751
195 HE2 HIS 837 HE2 HIS 27 9.836 11.051 -0.229
196 H CYS 838 H CYS 28 6.776 9.511 4.555
197 HA CYS 838 HA CYS 28 9.108 10.181 5.983
198 HB2 CYS 838 HB2 CYS 28 7.981 7.708 4.708
199 HB3 CYS 838 HB3 CYS 28 9.659 7.728 5.277
200 H GLN 839 H GLN 29 11.126 10.725 5.481
201 HA GLN 839 HA GLN 29 11.823 11.224 2.712
202 HB2 GLN 839 HB2 GLN 29 13.515 11.392 5.227
203 HB3 GLN 839 HB3 GLN 29 14.031 11.943 3.650
204 HG2 GLN 839 HG2 GLN 29 11.607 13.115 5.081
205 HG3 GLN 839 HG3 GLN 29 13.267 13.681 5.268
206 HE21 GLN 839 HE21 GLN 29 13.089 15.739 4.386
207 HE22 GLN 839 HE22 GLN 29 12.420 16.028 2.774
208 H ASP 840 H ASP 30 12.902 8.846 5.157
209 HA ASP 840 HA ASP 30 14.975 7.812 3.315
210 HB2 ASP 840 HB2 ASP 30 15.474 8.345 5.652
211 HB3 ASP 840 HB3 ASP 30 14.293 7.163 6.195
212 H CYS 841 H CYS 31 11.889 6.714 4.741
213 HA CYS 841 HA CYS 31 12.146 3.994 4.004
214 HB2 CYS 841 HB2 CYS 31 9.603 5.598 4.402
215 HB3 CYS 841 HB3 CYS 31 9.757 3.853 4.368
216 HA PRO 842 HA PRO 32 11.971 4.349 -0.329
217 HB2 PRO 842 HB2 PRO 32 11.488 1.800 -1.178
218 HB3 PRO 842 HB3 PRO 32 12.942 2.240 -0.237
219 HG2 PRO 842 HG2 PRO 32 10.349 1.060 0.796
220 HG3 PRO 842 HG3 PRO 32 12.017 0.492 1.110
221 HD2 PRO 842 HD2 PRO 32 10.667 2.142 2.841
222 HD3 PRO 842 HD3 PRO 32 12.427 2.241 2.613
223 HA PRO 843 HA PRO 33 7.908 5.213 -1.911
224 HB2 PRO 843 HB2 PRO 33 8.107 4.631 -4.609
225 HB3 PRO 843 HB3 PRO 33 8.871 6.025 -3.805
226 HG2 PRO 843 HG2 PRO 33 10.161 3.367 -4.450
227 HG3 PRO 843 HG3 PRO 33 10.763 5.013 -4.826
228 HD2 PRO 843 HD2 PRO 33 11.643 3.716 -2.647
229 HD3 PRO 843 HD3 PRO 33 11.254 5.457 -2.544
230 H GLU 844 H GLU 34 9.209 2.036 -2.640
231 HA GLU 844 HA GLU 34 6.838 0.636 -3.329
232 HB2 GLU 844 HB2 GLU 34 9.113 -0.252 -3.560
233 HB3 GLU 844 HB3 GLU 34 9.287 -0.346 -1.801
234 HG2 GLU 844 HG2 GLU 34 7.595 -2.068 -1.650
235 HG3 GLU 844 HG3 GLU 34 7.104 -1.812 -3.327
236 H MET 845 H MET 35 8.053 1.575 -0.149
237 HA MET 845 HA MET 35 5.706 0.378 1.247
238 HB2 MET 845 HB2 MET 35 8.070 1.966 2.283
239 HB3 MET 845 HB3 MET 35 6.704 1.381 3.250
240 HG2 MET 845 HG2 MET 35 7.554 -0.937 1.976
241 HG3 MET 845 HG3 MET 35 9.054 -0.079 2.260
242 HE1 MET 845 HE1 MET 35 6.024 -1.977 3.764
243 HE2 MET 845 HE2 MET 35 5.635 -0.362 4.409
244 HE3 MET 845 HE3 MET 35 6.149 -1.657 5.508
245 H SER 846 H SER 36 7.142 3.574 0.623
246 HA SER 846 HA SER 36 6.547 5.696 1.053
247 HB2 SER 846 HB2 SER 36 5.402 5.224 -1.089
248 HB3 SER 846 HB3 SER 36 3.900 4.932 -0.181
249 HG SER 846 HG SER 36 4.157 7.138 -0.956
250 H LEU 847 H LEU 37 6.701 5.506 3.324
251 HA LEU 847 HA LEU 37 4.277 4.947 4.859
252 HB2 LEU 847 HB2 LEU 37 7.151 5.438 5.607
253 HB3 LEU 847 HB3 LEU 37 5.915 5.575 6.818
254 HG LEU 847 HG LEU 37 5.317 3.155 5.327
255 HD11 LEU 847 HD11 LEU 37 7.490 3.210 4.372
256 HD12 LEU 847 HD12 LEU 37 7.370 1.867 5.541
257 HD13 LEU 847 HD13 LEU 37 8.227 3.366 5.967
258 HD21 LEU 847 HD21 LEU 37 5.136 2.122 7.240
259 HD22 LEU 847 HD22 LEU 37 5.320 3.719 7.982
260 HD23 LEU 847 HD23 LEU 37 6.708 2.605 7.810
261 H ASP 848 H ASP 38 3.163 6.287 6.228
262 HA ASP 848 HA ASP 38 3.395 9.182 5.693
263 HB2 ASP 848 HB2 ASP 38 0.902 7.569 5.118
264 HB3 ASP 848 HB3 ASP 38 1.028 9.324 5.163
265 H PHE 849 H PHE 39 2.557 10.513 7.222
266 HA PHE 849 HA PHE 39 0.984 9.314 9.445
267 HB2 PHE 849 HB2 PHE 39 3.319 11.186 10.057
268 HB3 PHE 849 HB3 PHE 39 2.260 10.335 11.115
269 HD1 PHE 849 HD1 PHE 39 4.758 9.431 8.335
270 HD2 PHE 849 HD2 PHE 39 3.056 8.512 12.198
271 HE1 PHE 849 HE1 PHE 39 5.947 7.345 8.371
272 HE2 PHE 849 HE2 PHE 39 4.310 6.381 12.235
273 HZ PHE 849 HZ PHE 39 5.716 5.712 10.270
274 H CYS 850 H CYS 40 -0.571 10.562 10.398
275 HA CYS 850 HA CYS 40 -1.442 12.995 9.289
276 HB2 CYS 850 HB2 CYS 40 -1.852 11.861 12.082
277 HB3 CYS 850 HB3 CYS 40 -2.911 13.017 11.282
278 H ASP 851 H ASP 41 -1.747 15.069 10.575
279 HA ASP 851 HA ASP 41 0.634 16.384 11.206
280 HB2 ASP 851 HB2 ASP 41 -0.708 18.173 11.916
281 HB3 ASP 851 HB3 ASP 41 -1.570 17.407 10.598
282 H SER 852 H SER 42 -1.391 14.492 13.367
283 HA SER 852 HA SER 42 0.195 15.146 15.750
284 HB2 SER 852 HB2 SER 42 -2.237 14.844 15.938
285 HB3 SER 852 HB3 SER 42 -2.081 13.178 15.336
286 HG SER 852 HG SER 42 -2.160 13.316 17.664
287 H CYS 853 H CYS 43 -0.274 12.366 13.534
288 HA CYS 853 HA CYS 43 1.076 10.427 15.075
289 HB2 CYS 853 HB2 CYS 43 0.232 10.723 12.221
290 HB3 CYS 853 HB3 CYS 43 0.963 9.253 12.842
291 H SER 854 H SER 44 2.132 12.736 12.659
292 HA SER 854 HA SER 44 4.713 11.702 11.986
293 HB2 SER 854 HB2 SER 44 5.051 13.933 11.094
294 HB3 SER 854 HB3 SER 44 3.385 13.457 10.805
295 HG SER 854 HG SER 44 3.541 15.592 11.662
296 H ASP 855 H ASP 45 3.574 13.153 14.880
297 HA ASP 855 HA ASP 45 6.306 13.491 15.952
298 HB2 ASP 855 HB2 ASP 45 4.748 15.494 16.030
299 HB3 ASP 855 HB3 ASP 45 3.688 14.555 17.082
300 H CYS 856 H CYS 46 3.756 11.328 15.773
301 HA CYS 856 HA CYS 46 3.913 10.268 18.502
302 HB2 CYS 856 HB2 CYS 46 1.781 10.397 17.063
303 HB3 CYS 856 HB3 CYS 46 2.504 9.115 16.076
304 HG CYS 856 HG CYS 46 1.756 9.114 19.312
305 H LEU 857 H LEU 47 4.840 9.396 15.228
306 HA LEU 857 HA LEU 47 6.186 8.000 14.228
307 HB2 LEU 857 HB2 LEU 47 7.697 8.658 16.645
308 HB3 LEU 857 HB3 LEU 47 8.125 7.100 15.985
309 HG LEU 857 HG LEU 47 9.555 8.833 15.146
310 HD11 LEU 857 HD11 LEU 47 9.548 8.351 12.801
311 HD12 LEU 857 HD12 LEU 47 7.845 7.887 12.813
312 HD13 LEU 857 HD13 LEU 47 9.047 6.887 13.666
313 HD21 LEU 857 HD21 LEU 47 7.943 10.728 15.214
314 HD22 LEU 857 HD22 LEU 47 7.138 10.077 13.769
315 HD23 LEU 857 HD23 LEU 47 8.824 10.620 13.682
316 H HIS 858 H HIS 48 6.304 6.068 13.525
317 HA HIS 858 HA HIS 48 5.919 3.678 15.236
318 HB2 HIS 858 HB2 HIS 48 3.869 4.379 13.895
319 HB3 HIS 858 HB3 HIS 48 4.798 4.097 12.431
320 HD2 HIS 858 HD2 HIS 48 4.364 1.798 11.369
321 HE1 HIS 858 HE1 HIS 48 3.570 -0.517 14.865
322 HE2 HIS 858 HE2 HIS 48 3.735 -0.576 12.322
323 H GLU 859 H GLU 49 7.086 1.787 14.318
324 HA GLU 859 HA GLU 49 8.913 2.385 12.084
325 HB2 GLU 859 HB2 GLU 49 9.825 0.870 14.577
326 HB3 GLU 859 HB3 GLU 49 10.796 1.316 13.224
327 HG2 GLU 859 HG2 GLU 49 10.560 3.699 13.749
328 HG3 GLU 859 HG3 GLU 49 9.522 3.303 15.115
329 H THR 860 H THR 50 9.658 0.573 10.846
330 HA THR 860 HA THR 50 8.064 -1.933 11.341
331 HB THR 860 HB THR 50 7.329 -2.125 9.179
332 HG1 THR 860 HG1 THR 50 8.055 -0.864 7.481
333 HG21 THR 860 HG21 THR 50 6.002 -0.411 10.368
334 HG22 THR 860 HG22 THR 50 6.064 -0.091 8.621
335 HG23 THR 860 HG23 THR 50 7.017 0.882 9.753
336 H ASP 861 H ASP 51 9.125 -3.202 9.010
337 HA ASP 861 HA ASP 51 11.664 -4.174 10.048
338 HB2 ASP 861 HB2 ASP 51 10.122 -4.813 7.567
339 HB3 ASP 861 HB3 ASP 51 11.579 -5.646 8.069
340 H ILE 862 H ILE 52 10.577 -1.834 7.796
341 HA ILE 862 HA ILE 52 13.289 -1.336 6.756
342 HB ILE 862 HB ILE 52 10.558 -0.748 5.626
343 HG12 ILE 862 HG12 ILE 52 12.961 -2.481 4.892
344 HG13 ILE 862 HG13 ILE 52 11.336 -3.025 5.304
345 HG21 ILE 862 HG21 ILE 52 11.861 1.260 5.307
346 HG22 ILE 862 HG22 ILE 52 11.871 0.359 3.794
347 HG23 ILE 862 HG23 ILE 52 13.301 0.313 4.876
348 HD11 ILE 862 HD11 ILE 52 10.493 -1.901 3.250
349 HD12 ILE 862 HD12 ILE 52 11.591 -3.276 2.978
350 HD13 ILE 862 HD13 ILE 52 12.201 -1.620 2.784
351 H HIS 863 H HIS 53 10.298 0.165 8.063
352 HA HIS 863 HA HIS 53 11.420 2.811 8.006
353 HB2 HIS 863 HB2 HIS 53 9.172 2.806 7.719
354 HB3 HIS 863 HB3 HIS 53 8.831 1.511 8.739
355 HD1 HIS 863 HD1 HIS 53 10.505 3.945 11.062
356 HD2 HIS 863 HD2 HIS 53 7.201 4.029 10.225
357 HE1 HIS 863 HE1 HIS 53 10.025 6.279 10.374
358 H LYS 864 H LYS 54 12.557 3.804 9.487
359 HA LYS 864 HA LYS 54 12.260 2.934 12.325
360 HB2 LYS 864 HB2 LYS 54 14.904 3.577 10.964
361 HB3 LYS 864 HB3 LYS 54 14.619 3.126 12.620
362 HG2 LYS 864 HG2 LYS 54 13.980 1.260 10.214
363 HG3 LYS 864 HG3 LYS 54 15.461 1.217 11.091
364 HD2 LYS 864 HD2 LYS 54 14.306 0.550 13.183
365 HD3 LYS 864 HD3 LYS 54 12.788 0.665 12.405
366 HE2 LYS 864 HE2 LYS 54 13.219 -1.587 12.257
367 HE3 LYS 864 HE3 LYS 54 13.612 -1.010 10.647
368 HZ1 LYS 864 HZ1 LYS 54 15.323 -2.527 11.528
369 HZ2 LYS 864 HZ2 LYS 54 15.608 -1.557 12.807
370 HZ3 LYS 864 HZ3 LYS 54 15.990 -1.057 11.294
371 H GLU 865 H GLU 55 12.720 4.559 13.928
372 HA GLU 865 HA GLU 55 11.966 7.221 13.099
373 HB2 GLU 865 HB2 GLU 55 11.867 7.725 15.382
374 HB3 GLU 865 HB3 GLU 55 11.273 6.082 15.192
375 HG2 GLU 865 HG2 GLU 55 13.589 5.276 15.913
376 HG3 GLU 865 HG3 GLU 55 14.013 6.952 16.231
377 H ASP 866 H ASP 56 14.799 5.841 12.567
378 HA ASP 866 HA ASP 56 16.803 7.598 13.534
379 HB2 ASP 866 HB2 ASP 56 16.999 5.207 12.738
380 HB3 ASP 866 HB3 ASP 56 16.848 5.855 11.112
381 H HIS 867 H HIS 57 14.462 7.891 11.013
382 HA HIS 867 HA HIS 57 16.108 9.512 9.232
383 HB2 HIS 867 HB2 HIS 57 14.428 9.086 7.662
384 HB3 HIS 867 HB3 HIS 57 14.938 7.608 8.425
385 HD1 HIS 867 HD1 HIS 57 12.048 9.922 9.756
386 HD2 HIS 867 HD2 HIS 57 12.940 6.221 8.025
387 HE1 HIS 867 HE1 HIS 57 9.799 8.867 9.199
388 H GLN 868 H GLN 58 13.924 10.827 8.009
389 HA GLN 868 HA GLN 58 12.884 12.896 9.821
390 HB2 GLN 868 HB2 GLN 58 14.910 13.794 8.896
391 HB3 GLN 868 HB3 GLN 58 14.535 13.186 7.283
392 HG2 GLN 868 HG2 GLN 58 12.601 14.684 7.142
393 HG3 GLN 868 HG3 GLN 58 12.940 15.297 8.763
394 HE21 GLN 868 HE21 GLN 58 15.346 16.196 8.934
395 HE22 GLN 868 HE22 GLN 58 15.870 17.094 7.525
396 H LEU 869 H LEU 59 10.931 13.814 9.109
397 HA LEU 869 HA LEU 59 9.523 12.514 6.807
398 HB2 LEU 869 HB2 LEU 59 8.374 14.065 9.164
399 HB3 LEU 869 HB3 LEU 59 7.489 13.198 7.903
400 HG LEU 869 HG LEU 59 7.304 12.165 10.009
401 HD11 LEU 869 HD11 LEU 59 7.729 9.869 9.304
402 HD12 LEU 869 HD12 LEU 59 8.903 10.467 8.106
403 HD13 LEU 869 HD13 LEU 59 7.175 10.830 7.936
404 HD21 LEU 869 HD21 LEU 59 9.483 12.653 11.058
405 HD22 LEU 869 HD22 LEU 59 10.190 11.340 10.077
406 HD23 LEU 869 HD23 LEU 59 8.904 10.990 11.238
407 H GLU 870 H GLU 60 8.509 13.778 5.306
408 HA GLU 870 HA GLU 60 9.261 16.665 5.220
409 HB2 GLU 870 HB2 GLU 60 9.846 15.025 3.368
410 HB3 GLU 870 HB3 GLU 60 8.144 14.891 3.046
411 HG2 GLU 870 HG2 GLU 60 8.860 16.406 1.501
412 HG3 GLU 870 HG3 GLU 60 8.137 17.445 2.727
413 HA PRO 871 HA PRO 61 4.807 17.324 6.044
414 HB2 PRO 871 HB2 PRO 61 4.827 20.030 6.405
415 HB3 PRO 871 HB3 PRO 61 5.350 18.879 7.656
416 HG2 PRO 871 HG2 PRO 61 7.064 20.488 5.762
417 HG3 PRO 871 HG3 PRO 61 7.339 20.144 7.496
418 HD2 PRO 871 HD2 PRO 61 8.543 18.770 5.411
419 HD3 PRO 871 HD3 PRO 61 8.270 18.061 7.021
420 H ILE 872 H ILE 62 3.153 17.760 4.520
421 HA ILE 872 HA ILE 62 3.916 19.380 2.119
422 HB ILE 872 HB ILE 62 2.050 17.072 1.936
423 HG12 ILE 872 HG12 ILE 62 4.215 16.076 2.761
424 HG13 ILE 872 HG13 ILE 62 3.667 15.507 1.206
425 HG21 ILE 872 HG21 ILE 62 3.751 18.532 -0.129
426 HG22 ILE 872 HG22 ILE 62 2.015 18.712 0.126
427 HG23 ILE 872 HG23 ILE 62 2.653 17.178 -0.467
428 HD11 ILE 872 HD11 ILE 62 5.764 17.678 1.524
429 HD12 ILE 872 HD12 ILE 62 5.328 16.820 0.033
430 HD13 ILE 872 HD13 ILE 62 6.137 15.949 1.357
431 H TYR 873 H TYR 63 2.692 21.047 1.865
432 HA TYR 873 HA TYR 63 0.293 21.402 3.517
433 HB2 TYR 873 HB2 TYR 63 2.241 23.290 2.162
434 HB3 TYR 873 HB3 TYR 63 0.795 23.837 2.980
435 HD1 TYR 873 HD1 TYR 63 0.442 23.236 5.425
436 HD2 TYR 873 HD2 TYR 63 4.243 22.745 3.451
437 HE1 TYR 873 HE1 TYR 63 1.590 23.173 7.644
438 HE2 TYR 873 HE2 TYR 63 5.382 22.680 5.657
439 HH TYR 873 HH TYR 63 5.147 22.900 7.952
440 H ARG 874 H ARG 64 0.496 19.998 0.835
441 HA ARG 874 HA ARG 64 -1.984 20.951 -0.331
442 HB2 ARG 874 HB2 ARG 64 -1.093 21.234 -2.614
443 HB3 ARG 874 HB3 ARG 64 -0.498 22.448 -1.491
444 HG2 ARG 874 HG2 ARG 64 1.656 21.292 -1.279
445 HG3 ARG 874 HG3 ARG 64 1.094 19.965 -2.294
446 HD2 ARG 874 HD2 ARG 64 1.235 22.870 -3.162
447 HD3 ARG 874 HD3 ARG 64 2.541 21.689 -3.432
448 HE ARG 874 HE ARG 64 0.216 20.540 -4.509
449 HH11 ARG 874 HH11 ARG 64 -0.326 20.593 -6.666
450 HH12 ARG 874 HH12 ARG 64 0.357 21.809 -7.704
451 HH21 ARG 874 HH21 ARG 64 2.191 23.337 -5.245
452 HH22 ARG 874 HH22 ARG 64 1.742 23.328 -6.926
453 H1 ALA 1 H1 ALA 65 0.425 5.572 4.201
454 H2 ALA 1 H2 ALA 65 1.868 5.850 3.467
455 H3 ALA 1 H3 ALA 65 1.798 4.911 4.826
456 HA ALA 1 HA ALA 65 2.105 3.560 2.921
457 HB1 ALA 1 HB1 ALA 65 0.771 2.609 4.766
458 HB2 ALA 1 HB2 ALA 65 0.198 2.032 3.190
459 HB3 ALA 1 HB3 ALA 65 -0.703 3.298 4.056
460 H ARG 2 H ARG 66 1.968 3.508 0.787
461 HA ARG 2 HA ARG 66 0.377 5.335 -0.713
462 HB2 ARG 2 HB2 ARG 66 1.041 3.804 -2.706
463 HB3 ARG 2 HB3 ARG 66 2.237 4.758 -1.872
464 HG2 ARG 2 HG2 ARG 66 3.038 2.530 -2.505
465 HG3 ARG 2 HG3 ARG 66 3.202 2.858 -0.793
466 HD2 ARG 2 HD2 ARG 66 1.257 1.416 -0.304
467 HD3 ARG 2 HD3 ARG 66 1.041 1.128 -2.045
468 HE ARG 2 HE ARG 66 3.732 0.458 -1.238
469 HH11 ARG 2 HH11 ARG 66 0.492 -0.888 -0.966
470 HH12 ARG 2 HH12 ARG 66 1.108 -2.514 -0.840
471 HH21 ARG 2 HH21 ARG 66 4.414 -1.546 -1.092
472 HH22 ARG 2 HH22 ARG 66 3.306 -2.901 -0.911
473 H THR 3 H THR 67 -1.592 5.404 -1.290
474 HA THR 3 HA THR 67 -3.033 2.966 -2.226
475 HB THR 3 HB THR 67 -5.146 3.858 -1.355
476 HG1 THR 3 HG1 THR 67 -5.126 5.567 0.081
477 HG21 THR 3 HG21 THR 67 -3.842 2.248 0.058
478 HG22 THR 3 HG22 THR 67 -4.878 3.342 0.990
479 HG23 THR 3 HG23 THR 67 -3.128 3.636 0.915
480 HH31 ALY 4 H26 ALY 68 -0.335 9.264 -9.978
481 HH32 ALY 4 H27 ALY 68 -0.331 11.002 -10.364
482 HH33 ALY 4 H28 ALY 68 -1.779 10.027 -10.696
483 HZ ALY 4 HZ1 ALY 68 0.431 10.730 -8.006
484 HE3 ALY 4 HE3 ALY 68 -0.129 11.852 -5.987
485 HE2 ALY 4 HE2 ALY 68 -1.830 11.413 -6.183
486 HD3 ALY 4 HD3 ALY 68 0.431 9.447 -5.576
487 HD2 ALY 4 HD2 ALY 68 -0.648 10.163 -4.371
488 HG3 ALY 4 HG3 ALY 68 -2.604 9.127 -5.467
489 HG2 ALY 4 HG2 ALY 68 -1.540 8.380 -6.672
490 HB3 ALY 4 HB3 ALY 68 -0.400 7.083 -4.923
491 HB2 ALY 4 HB2 ALY 68 -1.324 7.902 -3.663
492 HCA ALY 4 HA ALY 68 -3.441 7.004 -4.755
493 H ALY 4 H ALY 68 -1.460 5.410 -3.346
494 H GLN 5 H GLN 69 -4.498 5.851 -6.298
495 HA GLN 5 HA GLN 69 -4.969 4.653 -8.141
496 HB2 GLN 5 HB2 GLN 69 -2.373 5.755 -9.286
497 HB3 GLN 5 HB3 GLN 69 -3.744 5.080 -10.180
498 HG2 GLN 5 HG2 GLN 69 -5.196 6.899 -9.179
499 HG3 GLN 5 HG3 GLN 69 -3.728 7.646 -8.540
500 HE21 GLN 5 HE21 GLN 69 -5.260 9.188 -10.209
501 HE22 GLN 5 HE22 GLN 69 -4.491 9.311 -11.785
502 H THR 6 H THR 70 -3.571 3.223 -6.041
503 HA THR 6 HA THR 70 -1.772 1.261 -7.192
504 HB THR 6 HB THR 70 -2.246 0.046 -5.008
505 HG1 THR 6 HG1 THR 70 -4.268 0.944 -4.497
506 HG21 THR 6 HG21 THR 70 -1.326 2.953 -4.823
507 HG22 THR 6 HG22 THR 70 -0.314 1.554 -5.239
508 HG23 THR 6 HG23 THR 70 -1.026 1.679 -3.619
509 H ALA 7 H ALA 71 -2.141 -0.938 -7.606
510 HA ALA 7 HA ALA 71 -4.566 -1.523 -9.004
511 HB1 ALA 7 HB1 ALA 71 -2.293 -3.356 -8.124
512 HB2 ALA 7 HB2 ALA 71 -2.348 -2.415 -9.634
513 HB3 ALA 7 HB3 ALA 71 -3.515 -3.720 -9.360
514 H ARG 8 H ARG 72 -6.071 -3.191 -8.672
515 HA ARG 8 HA ARG 72 -7.150 -3.440 -6.005
516 HB2 ARG 8 HB2 ARG 72 -8.915 -4.715 -6.999
517 HB3 ARG 8 HB3 ARG 72 -8.565 -3.307 -8.003
518 HG2 ARG 8 HG2 ARG 72 -7.247 -4.800 -9.558
519 HG3 ARG 8 HG3 ARG 72 -7.743 -6.194 -8.584
520 HD2 ARG 8 HD2 ARG 72 -9.625 -4.276 -10.023
521 HD3 ARG 8 HD3 ARG 72 -9.130 -5.844 -10.642
522 HE ARG 8 HE ARG 72 -11.065 -5.290 -8.503
523 HH11 ARG 8 HH11 ARG 72 -9.180 -7.847 -9.996
524 HH12 ARG 8 HH12 ARG 72 -10.191 -9.097 -9.327
525 HH21 ARG 8 HH21 ARG 72 -12.303 -6.932 -7.697
526 HH22 ARG 8 HH22 ARG 72 -11.917 -8.588 -8.064
Start of MODEL 19
1 H1 GLY 811 H1 GLY 1 -4.566 24.845 -2.603
2 H2 GLY 811 H2 GLY 1 -5.158 26.367 -2.462
3 H3 GLY 811 H3 GLY 1 -6.184 25.098 -2.569
4 HA2 GLY 811 HA2 GLY 1 -6.097 25.870 -0.289
5 HA3 GLY 811 HA3 GLY 1 -5.472 24.221 -0.441
6 HA PRO 812 HA PRO 2 -2.171 27.489 0.914
7 HB2 PRO 812 HB2 PRO 2 -2.625 28.153 3.530
8 HB3 PRO 812 HB3 PRO 2 -3.412 28.979 2.154
9 HG2 PRO 812 HG2 PRO 2 -4.525 26.711 3.835
10 HG3 PRO 812 HG3 PRO 2 -5.307 28.274 3.432
11 HD2 PRO 812 HD2 PRO 2 -5.828 26.025 2.001
12 HD3 PRO 812 HD3 PRO 2 -5.693 27.621 1.201
13 H LEU 813 H LEU 3 -0.386 27.256 2.404
14 HA LEU 813 HA LEU 3 0.685 24.705 2.484
15 HB2 LEU 813 HB2 LEU 3 1.471 27.040 4.261
16 HB3 LEU 813 HB3 LEU 3 2.502 25.697 3.796
17 HG LEU 813 HG LEU 3 1.434 27.869 1.935
18 HD11 LEU 813 HD11 LEU 3 3.767 28.605 1.854
19 HD12 LEU 813 HD12 LEU 3 4.238 27.329 2.999
20 HD13 LEU 813 HD13 LEU 3 3.157 28.642 3.515
21 HD21 LEU 813 HD21 LEU 3 2.995 26.944 0.258
22 HD22 LEU 813 HD22 LEU 3 1.750 25.767 0.690
23 HD23 LEU 813 HD23 LEU 3 3.390 25.606 1.361
24 H GLY 814 H GLY 4 -1.313 26.100 5.004
25 HA2 GLY 814 HA2 GLY 4 -0.609 24.016 6.998
26 HA3 GLY 814 HA3 GLY 4 -1.653 25.413 7.234
27 H SER 815 H SER 5 -2.663 23.987 4.383
28 HA SER 815 HA SER 5 -4.684 22.229 5.622
29 HB2 SER 815 HB2 SER 5 -5.362 24.576 3.823
30 HB3 SER 815 HB3 SER 5 -6.497 23.363 4.426
31 HG SER 815 HG SER 5 -5.044 25.273 5.972
32 H VAL 816 H VAL 6 -2.322 21.747 3.872
33 HA VAL 816 HA VAL 6 -2.962 21.312 1.167
34 HB VAL 816 HB VAL 6 -0.955 20.032 3.065
35 HG11 VAL 816 HG11 VAL 6 -0.830 20.162 0.064
36 HG12 VAL 816 HG12 VAL 6 -1.045 18.714 1.097
37 HG13 VAL 816 HG13 VAL 6 0.470 19.628 1.165
38 HG21 VAL 816 HG21 VAL 6 -0.847 22.579 2.875
39 HG22 VAL 816 HG22 VAL 6 -0.470 22.359 1.159
40 HG23 VAL 816 HG23 VAL 6 0.596 21.708 2.440
41 H GLN 817 H GLN 7 -3.979 19.737 0.097
42 HA GLN 817 HA GLN 7 -5.011 17.430 1.679
43 HB2 GLN 817 HB2 GLN 7 -6.639 17.256 -0.153
44 HB3 GLN 817 HB3 GLN 7 -6.772 18.699 0.844
45 HG2 GLN 817 HG2 GLN 7 -6.629 20.073 -0.891
46 HG3 GLN 817 HG3 GLN 7 -5.130 19.348 -1.440
47 HE21 GLN 817 HE21 GLN 7 -5.373 17.201 -2.644
48 HE22 GLN 817 HE22 GLN 7 -6.717 17.122 -3.794
49 H HIS 818 H HIS 8 -3.761 15.682 1.559
50 HA HIS 818 HA HIS 8 -2.627 14.868 -1.089
51 HB2 HIS 818 HB2 HIS 8 -1.766 14.482 1.742
52 HB3 HIS 818 HB3 HIS 8 -1.532 13.151 0.633
53 HD2 HIS 818 HD2 HIS 8 -0.074 16.567 1.374
54 HE1 HIS 818 HE1 HIS 8 1.658 15.371 -2.328
55 HE2 HIS 818 HE2 HIS 8 1.672 17.145 -0.530
56 H VAL 819 H VAL 9 -4.890 14.553 -1.675
57 HA VAL 819 HA VAL 9 -6.432 12.309 -0.814
58 HB VAL 819 HB VAL 9 -6.322 13.689 -3.477
59 HG11 VAL 819 HG11 VAL 9 -8.321 11.627 -2.459
60 HG12 VAL 819 HG12 VAL 9 -7.212 11.430 -3.840
61 HG13 VAL 819 HG13 VAL 9 -8.510 12.620 -3.920
62 HG21 VAL 819 HG21 VAL 9 -7.141 15.085 -1.587
63 HG22 VAL 819 HG22 VAL 9 -8.315 13.825 -1.171
64 HG23 VAL 819 HG23 VAL 9 -8.440 14.698 -2.715
65 H GLY 820 H GLY 10 -6.082 10.179 -1.004
66 HA2 GLY 820 HA2 GLY 10 -5.237 8.197 -1.772
67 HA3 GLY 820 HA3 GLY 10 -4.288 9.021 -3.016
68 H PHE 821 H PHE 11 -3.854 10.125 0.325
69 HA PHE 821 HA PHE 11 -1.667 8.127 0.752
70 HB2 PHE 821 HB2 PHE 11 -1.439 11.070 1.412
71 HB3 PHE 821 HB3 PHE 11 -0.268 9.809 1.746
72 HD1 PHE 821 HD1 PHE 11 1.527 9.492 0.283
73 HD2 PHE 821 HD2 PHE 11 -1.987 11.571 -1.067
74 HE1 PHE 821 HE1 PHE 11 2.692 10.121 -1.840
75 HE2 PHE 821 HE2 PHE 11 -0.798 12.312 -3.091
76 HZ PHE 821 HZ PHE 11 1.541 11.617 -3.477
77 H LYS 822 H LYS 12 -2.960 6.931 2.084
78 HA LYS 822 HA LYS 12 -4.454 8.098 4.304
79 HB2 LYS 822 HB2 LYS 12 -5.334 6.144 3.127
80 HB3 LYS 822 HB3 LYS 12 -3.883 5.317 3.265
81 HG2 LYS 822 HG2 LYS 12 -5.021 5.757 5.981
82 HG3 LYS 822 HG3 LYS 12 -6.224 5.173 4.878
83 HD2 LYS 822 HD2 LYS 12 -5.413 3.240 5.823
84 HD3 LYS 822 HD3 LYS 12 -4.684 3.276 4.215
85 HE2 LYS 822 HE2 LYS 12 -2.593 4.274 5.297
86 HE3 LYS 822 HE3 LYS 12 -3.375 4.083 6.860
87 HZ1 LYS 822 HZ1 LYS 12 -1.857 2.226 6.305
88 HZ2 LYS 822 HZ2 LYS 12 -2.821 1.773 5.055
89 HZ3 LYS 822 HZ3 LYS 12 -3.392 1.697 6.586
90 H CYS 823 H CYS 13 -3.941 8.167 6.389
91 HA CYS 823 HA CYS 13 -1.201 8.024 7.255
92 HB2 CYS 823 HB2 CYS 13 -2.832 9.690 8.073
93 HB3 CYS 823 HB3 CYS 13 -3.809 8.336 8.683
94 H ASP 824 H ASP 14 -0.219 6.509 8.300
95 HA ASP 824 HA ASP 14 -1.474 3.850 8.735
96 HB2 ASP 824 HB2 ASP 14 1.395 4.825 8.859
97 HB3 ASP 824 HB3 ASP 14 0.886 3.169 9.173
98 H ASN 825 H ASN 15 -0.610 6.585 10.638
99 HA ASN 825 HA ASN 15 -0.501 5.174 13.202
100 HB2 ASN 825 HB2 ASN 15 0.511 7.418 12.930
101 HB3 ASN 825 HB3 ASN 15 -1.128 8.089 12.660
102 HD21 ASN 825 HD21 ASN 15 -1.209 9.407 14.472
103 HD22 ASN 825 HD22 ASN 15 -1.134 8.752 16.118
104 H CYS 826 H CYS 16 -3.131 7.271 11.771
105 HA CYS 826 HA CYS 16 -4.973 6.082 13.756
106 HB2 CYS 826 HB2 CYS 16 -6.032 8.126 13.888
107 HB3 CYS 826 HB3 CYS 16 -4.315 8.523 13.866
108 H GLY 827 H GLY 17 -4.435 6.136 10.365
109 HA2 GLY 827 HA2 GLY 17 -5.383 4.604 8.927
110 HA3 GLY 827 HA3 GLY 17 -6.767 4.423 9.978
111 H ILE 828 H ILE 18 -6.183 7.773 9.523
112 HA ILE 828 HA ILE 18 -8.463 8.171 7.965
113 HB ILE 828 HB ILE 18 -7.603 9.930 9.331
114 HG12 ILE 828 HG12 ILE 18 -7.428 10.714 6.367
115 HG13 ILE 828 HG13 ILE 18 -8.925 10.453 7.252
116 HG21 ILE 828 HG21 ILE 18 -5.580 11.226 8.736
117 HG22 ILE 828 HG22 ILE 18 -5.134 10.012 7.528
118 HG23 ILE 828 HG23 ILE 18 -5.200 9.619 9.247
119 HD11 ILE 828 HD11 ILE 18 -8.538 12.802 7.124
120 HD12 ILE 828 HD12 ILE 18 -6.884 12.660 7.753
121 HD13 ILE 828 HD13 ILE 18 -8.272 12.317 8.816
122 H GLU 829 H GLU 19 -8.891 8.300 5.910
123 HA GLU 829 HA GLU 19 -7.279 6.796 4.080
124 HB2 GLU 829 HB2 GLU 19 -9.699 8.424 3.835
125 HB3 GLU 829 HB3 GLU 19 -9.003 7.751 2.399
126 HG2 GLU 829 HG2 GLU 19 -10.066 6.227 4.842
127 HG3 GLU 829 HG3 GLU 19 -10.865 6.332 3.276
128 HA PRO 830 HA PRO 20 -5.136 10.272 2.772
129 HB2 PRO 830 HB2 PRO 20 -6.075 11.894 1.132
130 HB3 PRO 830 HB3 PRO 20 -6.648 10.251 0.960
131 HG2 PRO 830 HG2 PRO 20 -8.054 12.605 2.218
132 HG3 PRO 830 HG3 PRO 20 -8.699 11.397 1.077
133 HD2 PRO 830 HD2 PRO 20 -8.706 11.309 3.986
134 HD3 PRO 830 HD3 PRO 20 -9.111 10.010 2.843
135 H ILE 831 H ILE 21 -3.748 11.547 3.583
136 HA ILE 831 HA ILE 21 -4.338 13.024 5.923
137 HB ILE 831 HB ILE 21 -1.837 12.838 4.229
138 HG12 ILE 831 HG12 ILE 21 -2.442 11.494 6.913
139 HG13 ILE 831 HG13 ILE 21 -2.917 10.752 5.444
140 HG21 ILE 831 HG21 ILE 21 -2.225 14.122 6.970
141 HG22 ILE 831 HG22 ILE 21 -1.590 14.901 5.517
142 HG23 ILE 831 HG23 ILE 21 -0.642 13.665 6.338
143 HD11 ILE 831 HD11 ILE 21 -0.758 9.899 6.149
144 HD12 ILE 831 HD12 ILE 21 -0.045 11.515 6.029
145 HD13 ILE 831 HD13 ILE 21 -0.656 10.705 4.574
146 H GLN 832 H GLN 22 -4.415 15.077 6.516
147 HA GLN 832 HA GLN 22 -4.633 17.161 4.407
148 HB2 GLN 832 HB2 GLN 22 -6.109 16.998 7.053
149 HB3 GLN 832 HB3 GLN 22 -6.338 18.195 5.777
150 HG2 GLN 832 HG2 GLN 22 -6.980 15.215 5.585
151 HG3 GLN 832 HG3 GLN 22 -8.129 16.511 5.781
152 HE21 GLN 832 HE21 GLN 22 -7.204 14.434 3.498
153 HE22 GLN 832 HE22 GLN 22 -7.466 15.455 2.078
154 H GLY 833 H GLY 23 -3.690 19.085 4.732
155 HA2 GLY 833 HA2 GLY 23 -2.968 20.926 6.096
156 HA3 GLY 833 HA3 GLY 23 -2.484 19.842 7.341
157 H VAL 834 H VAL 24 -0.821 18.191 6.575
158 HA VAL 834 HA VAL 24 1.139 19.015 4.605
159 HB VAL 834 HB VAL 24 1.633 20.264 6.693
160 HG11 VAL 834 HG11 VAL 24 0.769 18.701 8.326
161 HG12 VAL 834 HG12 VAL 24 2.412 19.242 8.700
162 HG13 VAL 834 HG13 VAL 24 2.165 17.618 8.017
163 HG21 VAL 834 HG21 VAL 24 3.547 19.706 5.284
164 HG22 VAL 834 HG22 VAL 24 3.698 18.112 6.078
165 HG23 VAL 834 HG23 VAL 24 4.014 19.606 6.975
166 H ARG 835 H ARG 25 2.066 17.080 3.748
167 HA ARG 835 HA ARG 25 1.120 14.530 5.016
168 HB2 ARG 835 HB2 ARG 25 0.891 14.682 2.617
169 HB3 ARG 835 HB3 ARG 25 2.635 14.940 2.406
170 HG2 ARG 835 HG2 ARG 25 3.097 12.680 3.234
171 HG3 ARG 835 HG3 ARG 25 1.395 12.473 3.700
172 HD2 ARG 835 HD2 ARG 25 1.716 11.259 1.714
173 HD3 ARG 835 HD3 ARG 25 0.756 12.658 1.295
174 HE ARG 835 HE ARG 25 2.502 13.515 0.002
175 HH11 ARG 835 HH11 ARG 25 3.614 10.558 1.601
176 HH12 ARG 835 HH12 ARG 25 5.015 10.444 0.583
177 HH21 ARG 835 HH21 ARG 25 4.366 13.274 -1.256
178 HH22 ARG 835 HH22 ARG 25 5.401 11.905 -0.999
179 H TRP 836 H TRP 26 2.655 12.883 5.593
180 HA TRP 836 HA TRP 26 5.373 13.947 6.253
181 HB2 TRP 836 HB2 TRP 26 3.535 12.541 8.175
182 HB3 TRP 836 HB3 TRP 26 5.258 12.494 8.326
183 HD1 TRP 836 HD1 TRP 26 2.414 14.878 8.841
184 HE1 TRP 836 HE1 TRP 26 3.339 16.999 10.063
185 HE3 TRP 836 HE3 TRP 26 7.377 14.124 8.149
186 HZ2 TRP 836 HZ2 TRP 26 5.886 17.879 11.037
187 HZ3 TRP 836 HZ3 TRP 26 9.063 15.442 9.397
188 HH2 TRP 836 HH2 TRP 26 8.333 17.281 10.889
189 H HIS 837 H HIS 27 6.290 13.007 4.596
190 HA HIS 837 HA HIS 27 5.795 10.186 3.772
191 HB2 HIS 837 HB2 HIS 27 6.107 12.075 2.128
192 HB3 HIS 837 HB3 HIS 27 7.699 12.374 2.786
193 HD2 HIS 837 HD2 HIS 27 9.698 10.812 2.045
194 HE1 HIS 837 HE1 HIS 27 7.514 8.206 -0.542
195 HE2 HIS 837 HE2 HIS 27 9.842 8.882 0.248
196 H CYS 838 H CYS 28 6.926 8.512 4.761
197 HA CYS 838 HA CYS 28 9.147 9.071 6.509
198 HB2 CYS 838 HB2 CYS 28 7.465 7.290 6.717
199 HB3 CYS 838 HB3 CYS 28 8.270 6.503 5.345
200 H GLN 839 H GLN 29 11.187 9.156 6.171
201 HA GLN 839 HA GLN 29 12.130 9.513 3.469
202 HB2 GLN 839 HB2 GLN 29 13.593 9.577 6.138
203 HB3 GLN 839 HB3 GLN 29 14.283 10.062 4.593
204 HG2 GLN 839 HG2 GLN 29 12.084 11.588 4.450
205 HG3 GLN 839 HG3 GLN 29 12.072 11.399 6.191
206 HE21 GLN 839 HE21 GLN 29 12.500 13.619 6.665
207 HE22 GLN 839 HE22 GLN 29 13.920 14.441 6.052
208 H ASP 840 H ASP 30 12.549 6.911 5.876
209 HA ASP 840 HA ASP 30 14.552 5.589 4.081
210 HB2 ASP 840 HB2 ASP 30 14.988 6.058 6.551
211 HB3 ASP 840 HB3 ASP 30 13.637 5.053 6.851
212 H CYS 841 H CYS 31 11.201 5.195 5.214
213 HA CYS 841 HA CYS 31 10.872 2.419 4.631
214 HB2 CYS 841 HB2 CYS 31 8.975 4.763 4.618
215 HB3 CYS 841 HB3 CYS 31 8.490 3.215 3.960
216 HA PRO 842 HA PRO 32 11.591 2.502 0.243
217 HB2 PRO 842 HB2 PRO 32 10.547 0.130 -0.605
218 HB3 PRO 842 HB3 PRO 32 11.981 0.230 0.464
219 HG2 PRO 842 HG2 PRO 32 9.098 -0.267 1.267
220 HG3 PRO 842 HG3 PRO 32 10.562 -1.162 1.773
221 HD2 PRO 842 HD2 PRO 32 9.422 0.871 3.258
222 HD3 PRO 842 HD3 PRO 32 11.164 0.488 3.289
223 HA PRO 843 HA PRO 33 7.995 4.380 -1.627
224 HB2 PRO 843 HB2 PRO 33 8.898 2.972 -4.162
225 HB3 PRO 843 HB3 PRO 33 8.347 4.662 -3.952
226 HG2 PRO 843 HG2 PRO 33 10.984 4.135 -4.099
227 HG3 PRO 843 HG3 PRO 33 10.395 5.243 -2.812
228 HD2 PRO 843 HD2 PRO 33 11.101 2.306 -2.579
229 HD3 PRO 843 HD3 PRO 33 11.529 3.671 -1.504
230 H GLU 844 H GLU 34 8.503 0.951 -2.324
231 HA GLU 844 HA GLU 34 5.925 0.184 -3.163
232 HB2 GLU 844 HB2 GLU 34 7.949 -1.199 -3.281
233 HB3 GLU 844 HB3 GLU 34 7.999 -1.336 -1.517
234 HG2 GLU 844 HG2 GLU 34 5.902 -2.597 -1.503
235 HG3 GLU 844 HG3 GLU 34 5.695 -2.346 -3.238
236 H MET 845 H MET 35 7.111 0.757 0.103
237 HA MET 845 HA MET 35 4.510 -0.042 1.344
238 HB2 MET 845 HB2 MET 35 7.217 0.714 2.505
239 HB3 MET 845 HB3 MET 35 5.803 0.387 3.489
240 HG2 MET 845 HG2 MET 35 6.956 -1.604 1.508
241 HG3 MET 845 HG3 MET 35 7.406 -1.535 3.205
242 HE1 MET 845 HE1 MET 35 4.724 -1.152 4.903
243 HE2 MET 845 HE2 MET 35 6.003 -2.355 5.205
244 HE3 MET 845 HE3 MET 35 4.304 -2.854 5.120
245 H SER 846 H SER 36 6.682 2.785 1.119
246 HA SER 846 HA SER 36 6.455 4.972 1.792
247 HB2 SER 846 HB2 SER 36 5.683 4.863 -0.517
248 HB3 SER 846 HB3 SER 36 4.014 4.621 0.025
249 HG SER 846 HG SER 36 4.029 6.700 0.905
250 H LEU 847 H LEU 37 6.108 4.607 4.125
251 HA LEU 847 HA LEU 37 3.322 4.636 5.048
252 HB2 LEU 847 HB2 LEU 37 5.980 4.358 6.479
253 HB3 LEU 847 HB3 LEU 37 4.566 4.914 7.352
254 HG LEU 847 HG LEU 37 3.428 2.799 6.108
255 HD11 LEU 847 HD11 LEU 37 5.457 2.130 4.911
256 HD12 LEU 847 HD12 LEU 37 4.804 0.872 5.986
257 HD13 LEU 847 HD13 LEU 37 6.237 1.797 6.462
258 HD21 LEU 847 HD21 LEU 37 3.406 1.603 8.009
259 HD22 LEU 847 HD22 LEU 37 3.554 3.268 8.568
260 HD23 LEU 847 HD23 LEU 37 4.981 2.199 8.556
261 H ASP 848 H ASP 38 2.358 6.296 6.378
262 HA ASP 848 HA ASP 38 3.478 8.969 5.936
263 HB2 ASP 848 HB2 ASP 38 0.775 8.225 4.798
264 HB3 ASP 848 HB3 ASP 38 1.457 9.840 4.930
265 H PHE 849 H PHE 39 2.609 10.583 7.242
266 HA PHE 849 HA PHE 39 0.366 9.806 9.045
267 HB2 PHE 849 HB2 PHE 39 2.880 11.103 10.174
268 HB3 PHE 849 HB3 PHE 39 1.507 10.435 11.007
269 HD1 PHE 849 HD1 PHE 39 1.036 8.018 10.951
270 HD2 PHE 849 HD2 PHE 39 4.660 9.602 9.296
271 HE1 PHE 849 HE1 PHE 39 1.994 5.724 10.903
272 HE2 PHE 849 HE2 PHE 39 5.582 7.302 9.120
273 HZ PHE 849 HZ PHE 39 4.246 5.355 9.915
274 H CYS 850 H CYS 40 -0.839 11.432 10.069
275 HA CYS 850 HA CYS 40 -1.117 13.949 8.791
276 HB2 CYS 850 HB2 CYS 40 -2.042 13.025 11.547
277 HB3 CYS 850 HB3 CYS 40 -2.709 14.379 10.630
278 H ASP 851 H ASP 41 -1.118 16.042 10.039
279 HA ASP 851 HA ASP 41 1.415 16.897 10.895
280 HB2 ASP 851 HB2 ASP 41 0.384 18.938 11.402
281 HB3 ASP 851 HB3 ASP 41 -0.503 18.292 10.040
282 H SER 852 H SER 42 -1.176 15.505 12.805
283 HA SER 852 HA SER 42 0.144 15.941 15.386
284 HB2 SER 852 HB2 SER 42 -2.298 16.121 15.177
285 HB3 SER 852 HB3 SER 42 -2.378 14.437 14.607
286 HG SER 852 HG SER 42 -2.819 14.677 16.889
287 H CYS 853 H CYS 43 -0.528 13.247 13.125
288 HA CYS 853 HA CYS 43 0.144 11.159 14.923
289 HB2 CYS 853 HB2 CYS 43 -0.321 11.457 11.965
290 HB3 CYS 853 HB3 CYS 43 -0.037 9.916 12.737
291 H SER 854 H SER 44 1.954 12.986 12.520
292 HA SER 854 HA SER 44 4.252 11.295 12.178
293 HB2 SER 854 HB2 SER 44 5.296 13.360 11.403
294 HB3 SER 854 HB3 SER 44 3.633 13.276 10.808
295 HG SER 854 HG SER 44 4.113 15.343 11.695
296 H ASP 855 H ASP 45 3.225 13.348 14.797
297 HA ASP 855 HA ASP 45 5.805 13.217 16.193
298 HB2 ASP 855 HB2 ASP 45 4.387 15.322 16.111
299 HB3 ASP 855 HB3 ASP 45 3.209 14.485 17.124
300 H CYS 856 H CYS 46 3.070 11.275 15.854
301 HA CYS 856 HA CYS 46 2.828 10.349 18.596
302 HB2 CYS 856 HB2 CYS 46 1.002 10.501 16.764
303 HB3 CYS 856 HB3 CYS 46 1.704 9.010 16.110
304 HG CYS 856 HG CYS 46 1.502 7.595 18.303
305 H LEU 857 H LEU 47 4.755 9.535 15.877
306 HA LEU 857 HA LEU 47 6.219 8.003 15.282
307 HB2 LEU 857 HB2 LEU 47 7.006 8.816 17.744
308 HB3 LEU 857 HB3 LEU 47 6.948 7.086 17.989
309 HG LEU 857 HG LEU 47 9.138 7.602 17.303
310 HD11 LEU 857 HD11 LEU 47 7.822 6.612 14.734
311 HD12 LEU 857 HD12 LEU 47 8.230 5.605 16.148
312 HD13 LEU 857 HD13 LEU 47 9.495 6.439 15.221
313 HD21 LEU 857 HD21 LEU 47 9.774 8.881 15.334
314 HD22 LEU 857 HD22 LEU 47 8.733 9.853 16.379
315 HD23 LEU 857 HD23 LEU 47 8.076 9.136 14.893
316 H HIS 858 H HIS 48 5.302 6.512 14.130
317 HA HIS 858 HA HIS 48 4.076 4.090 15.392
318 HB2 HIS 858 HB2 HIS 48 2.633 5.534 13.948
319 HB3 HIS 858 HB3 HIS 48 3.749 5.250 12.613
320 HD2 HIS 858 HD2 HIS 48 3.140 3.252 11.074
321 HE1 HIS 858 HE1 HIS 48 0.672 1.003 13.727
322 HE2 HIS 858 HE2 HIS 48 1.583 1.140 11.357
323 H GLU 859 H GLU 49 4.646 2.000 14.453
324 HA GLU 859 HA GLU 49 6.883 1.927 12.571
325 HB2 GLU 859 HB2 GLU 49 6.944 0.290 15.160
326 HB3 GLU 859 HB3 GLU 49 8.204 0.389 13.987
327 HG2 GLU 859 HG2 GLU 49 8.592 2.769 14.574
328 HG3 GLU 859 HG3 GLU 49 7.276 2.660 15.748
329 H THR 860 H THR 50 7.168 -0.038 11.435
330 HA THR 860 HA THR 50 5.128 -2.186 11.967
331 HB THR 860 HB THR 50 4.689 -2.536 9.681
332 HG1 THR 860 HG1 THR 50 5.698 -1.300 8.063
333 HG21 THR 860 HG21 THR 50 3.652 -0.480 8.933
334 HG22 THR 860 HG22 THR 50 4.587 0.482 10.118
335 HG23 THR 860 HG23 THR 50 3.393 -0.681 10.686
336 H ASP 861 H ASP 51 6.219 -3.764 9.762
337 HA ASP 861 HA ASP 51 8.489 -5.021 11.082
338 HB2 ASP 861 HB2 ASP 51 7.053 -5.621 8.529
339 HB3 ASP 861 HB3 ASP 51 8.338 -6.603 9.200
340 H ILE 862 H ILE 52 7.907 -2.767 8.509
341 HA ILE 862 HA ILE 52 10.757 -2.741 7.745
342 HB ILE 862 HB ILE 52 8.306 -1.450 6.481
343 HG12 ILE 862 HG12 ILE 52 8.708 -3.851 5.899
344 HG13 ILE 862 HG13 ILE 52 8.682 -2.738 4.557
345 HG21 ILE 862 HG21 ILE 52 10.002 -0.638 4.778
346 HG22 ILE 862 HG22 ILE 52 11.252 -0.968 6.012
347 HG23 ILE 862 HG23 ILE 52 9.972 0.218 6.326
348 HD11 ILE 862 HD11 ILE 52 10.432 -4.449 4.322
349 HD12 ILE 862 HD12 ILE 52 11.221 -3.858 5.797
350 HD13 ILE 862 HD13 ILE 52 11.109 -2.811 4.350
351 H HIS 863 H HIS 53 8.033 -0.687 8.794
352 HA HIS 863 HA HIS 53 9.630 1.720 8.881
353 HB2 HIS 863 HB2 HIS 53 7.352 1.995 8.378
354 HB3 HIS 863 HB3 HIS 53 6.792 0.937 9.589
355 HD1 HIS 863 HD1 HIS 53 8.789 3.204 11.793
356 HD2 HIS 863 HD2 HIS 53 5.847 4.033 10.564
357 HE1 HIS 863 HE1 HIS 53 9.078 5.459 10.795
358 H LYS 864 H LYS 54 10.912 2.384 10.569
359 HA LYS 864 HA LYS 54 10.067 1.545 13.311
360 HB2 LYS 864 HB2 LYS 54 12.870 1.408 12.158
361 HB3 LYS 864 HB3 LYS 54 12.383 1.127 13.816
362 HG2 LYS 864 HG2 LYS 54 11.524 -0.577 11.377
363 HG3 LYS 864 HG3 LYS 54 12.854 -0.950 12.432
364 HD2 LYS 864 HD2 LYS 54 11.248 -1.192 14.369
365 HD3 LYS 864 HD3 LYS 54 9.943 -0.962 13.265
366 HE2 LYS 864 HE2 LYS 54 10.046 -3.236 13.209
367 HE3 LYS 864 HE3 LYS 54 11.020 -2.831 11.810
368 HZ1 LYS 864 HZ1 LYS 54 12.101 -3.531 14.508
369 HZ2 LYS 864 HZ2 LYS 54 13.032 -3.149 13.213
370 HZ3 LYS 864 HZ3 LYS 54 12.124 -4.507 13.209
371 H GLU 865 H GLU 55 11.076 2.800 15.096
372 HA GLU 865 HA GLU 55 11.318 5.598 14.507
373 HB2 GLU 865 HB2 GLU 55 11.598 5.891 16.821
374 HB3 GLU 865 HB3 GLU 55 10.414 4.615 16.601
375 HG2 GLU 865 HG2 GLU 55 12.290 2.934 16.998
376 HG3 GLU 865 HG3 GLU 55 13.351 4.286 17.389
377 H ASP 866 H ASP 56 13.458 3.326 13.641
378 HA ASP 866 HA ASP 56 16.014 4.477 14.327
379 HB2 ASP 866 HB2 ASP 56 15.085 2.513 12.269
380 HB3 ASP 866 HB3 ASP 56 16.759 2.982 12.450
381 H HIS 867 H HIS 57 13.440 5.135 11.953
382 HA HIS 867 HA HIS 57 15.204 6.933 10.463
383 HB2 HIS 867 HB2 HIS 57 13.550 6.424 8.648
384 HB3 HIS 867 HB3 HIS 57 14.760 5.233 9.016
385 HD1 HIS 867 HD1 HIS 57 13.584 3.262 7.979
386 HD2 HIS 867 HD2 HIS 57 11.184 5.706 10.352
387 HE1 HIS 867 HE1 HIS 57 11.218 3.213 7.013
388 H GLN 868 H GLN 58 13.696 8.353 9.183
389 HA GLN 868 HA GLN 58 12.055 9.920 11.081
390 HB2 GLN 868 HB2 GLN 58 13.204 11.894 10.663
391 HB3 GLN 868 HB3 GLN 58 14.359 10.656 11.158
392 HG2 GLN 868 HG2 GLN 58 14.942 10.345 8.689
393 HG3 GLN 868 HG3 GLN 58 13.933 11.768 8.350
394 HE21 GLN 868 HE21 GLN 58 14.679 13.279 10.774
395 HE22 GLN 868 HE22 GLN 58 16.395 13.578 10.675
396 H LEU 869 H LEU 59 10.807 11.652 10.104
397 HA LEU 869 HA LEU 59 9.660 10.900 7.457
398 HB2 LEU 869 HB2 LEU 59 8.486 12.681 9.619
399 HB3 LEU 869 HB3 LEU 59 7.680 11.982 8.211
400 HG LEU 869 HG LEU 59 6.823 10.918 10.030
401 HD11 LEU 869 HD11 LEU 59 7.369 8.574 9.700
402 HD12 LEU 869 HD12 LEU 59 8.859 9.019 8.867
403 HD13 LEU 869 HD13 LEU 59 7.273 9.460 8.162
404 HD21 LEU 869 HD21 LEU 59 8.620 11.409 11.714
405 HD22 LEU 869 HD22 LEU 59 9.475 9.960 11.113
406 HD23 LEU 869 HD23 LEU 59 7.862 9.815 11.815
407 H GLU 870 H GLU 60 8.887 12.555 6.050
408 HA GLU 870 HA GLU 60 10.343 15.167 6.187
409 HB2 GLU 870 HB2 GLU 60 11.008 13.572 4.345
410 HB3 GLU 870 HB3 GLU 60 9.370 13.625 3.773
411 HG2 GLU 870 HG2 GLU 60 10.479 15.027 2.386
412 HG3 GLU 870 HG3 GLU 60 9.678 16.155 3.477
413 HA PRO 871 HA PRO 61 6.045 16.656 6.240
414 HB2 PRO 871 HB2 PRO 61 6.483 19.298 6.694
415 HB3 PRO 871 HB3 PRO 61 6.660 18.059 7.962
416 HG2 PRO 871 HG2 PRO 61 8.824 19.390 6.336
417 HG3 PRO 871 HG3 PRO 61 8.824 18.988 8.080
418 HD2 PRO 871 HD2 PRO 61 10.006 17.451 6.070
419 HD3 PRO 871 HD3 PRO 61 9.503 16.806 7.648
420 H ILE 872 H ILE 62 4.779 17.273 4.504
421 HA ILE 872 HA ILE 62 6.095 18.680 2.216
422 HB ILE 872 HB ILE 62 3.843 16.766 1.854
423 HG12 ILE 872 HG12 ILE 62 5.548 15.366 2.966
424 HG13 ILE 872 HG13 ILE 62 5.247 14.881 1.324
425 HG21 ILE 872 HG21 ILE 62 4.667 16.717 -0.461
426 HG22 ILE 872 HG22 ILE 62 6.075 17.703 -0.012
427 HG23 ILE 872 HG23 ILE 62 4.464 18.392 0.062
428 HD11 ILE 872 HD11 ILE 62 7.595 16.629 2.107
429 HD12 ILE 872 HD12 ILE 62 7.309 15.852 0.540
430 HD13 ILE 872 HD13 ILE 62 7.656 14.860 1.970
431 H TYR 873 H TYR 63 5.359 20.570 2.032
432 HA TYR 873 HA TYR 63 2.822 21.384 3.242
433 HB2 TYR 873 HB2 TYR 63 5.225 22.998 2.321
434 HB3 TYR 873 HB3 TYR 63 3.786 23.664 3.080
435 HD1 TYR 873 HD1 TYR 63 7.022 22.208 3.724
436 HD2 TYR 873 HD2 TYR 63 3.097 22.831 5.403
437 HE1 TYR 873 HE1 TYR 63 7.943 21.862 6.006
438 HE2 TYR 873 HE2 TYR 63 4.020 22.479 7.692
439 HH TYR 873 HH TYR 63 7.512 21.948 8.289
440 H ARG 874 H ARG 64 3.222 20.073 0.538
441 HA ARG 874 HA ARG 64 1.283 21.651 -0.960
442 HB2 ARG 874 HB2 ARG 64 2.684 21.768 -2.996
443 HB3 ARG 874 HB3 ARG 64 3.307 22.769 -1.683
444 HG2 ARG 874 HG2 ARG 64 5.118 21.229 -1.241
445 HG3 ARG 874 HG3 ARG 64 4.377 19.975 -2.243
446 HD2 ARG 874 HD2 ARG 64 6.147 20.901 -3.500
447 HD3 ARG 874 HD3 ARG 64 4.600 21.390 -4.229
448 HE ARG 874 HE ARG 64 5.556 23.407 -2.391
449 HH11 ARG 874 HH11 ARG 64 6.256 22.219 -5.609
450 HH12 ARG 874 HH12 ARG 64 6.910 23.750 -6.128
451 HH21 ARG 874 HH21 ARG 64 6.403 25.331 -3.125
452 HH22 ARG 874 HH22 ARG 64 6.985 25.459 -4.757
453 H1 ALA 1 H1 ALA 65 -0.084 6.104 4.106
454 H2 ALA 1 H2 ALA 65 1.463 6.275 3.561
455 H3 ALA 1 H3 ALA 65 1.116 5.194 4.760
456 HA ALA 1 HA ALA 65 1.483 4.074 2.695
457 HB1 ALA 1 HB1 ALA 65 -0.646 2.811 2.543
458 HB2 ALA 1 HB2 ALA 65 -1.389 3.978 3.660
459 HB3 ALA 1 HB3 ALA 65 -0.024 2.950 4.188
460 H ARG 2 H ARG 66 1.615 4.407 0.604
461 HA ARG 2 HA ARG 66 0.068 6.302 -0.886
462 HB2 ARG 2 HB2 ARG 66 1.108 5.480 -2.815
463 HB3 ARG 2 HB3 ARG 66 2.311 5.345 -1.555
464 HG2 ARG 2 HG2 ARG 66 0.710 3.100 -2.847
465 HG3 ARG 2 HG3 ARG 66 2.418 3.424 -3.032
466 HD2 ARG 2 HD2 ARG 66 2.888 2.767 -0.749
467 HD3 ARG 2 HD3 ARG 66 1.174 2.575 -0.371
468 HE ARG 2 HE ARG 66 2.892 0.671 -1.659
469 HH11 ARG 2 HH11 ARG 66 2.166 -1.304 -2.133
470 HH12 ARG 2 HH12 ARG 66 0.461 -1.644 -2.232
471 HH21 ARG 2 HH21 ARG 66 -0.537 1.580 -1.455
472 HH22 ARG 2 HH22 ARG 66 -1.033 -0.052 -1.824
473 H THR 3 H THR 67 -1.947 6.285 -1.488
474 HA THR 3 HA THR 67 -3.395 3.803 -2.253
475 HB THR 3 HB THR 67 -5.410 4.654 -1.028
476 HG1 THR 3 HG1 THR 67 -5.207 6.267 0.434
477 HG21 THR 3 HG21 THR 67 -4.809 3.884 1.167
478 HG22 THR 3 HG22 THR 67 -3.087 4.190 0.876
479 HG23 THR 3 HG23 THR 67 -3.928 2.896 -0.009
480 HH31 ALY 4 H26 ALY 68 1.968 13.746 -4.892
481 HH32 ALY 4 H27 ALY 68 1.216 15.351 -5.064
482 HH33 ALY 4 H28 ALY 68 1.728 14.448 -6.508
483 HZ ALY 4 HZ1 ALY 68 0.778 12.111 -6.476
484 HE3 ALY 4 HE3 ALY 68 -2.105 12.116 -5.688
485 HE2 ALY 4 HE2 ALY 68 -1.585 11.615 -7.312
486 HD3 ALY 4 HD3 ALY 68 -0.244 9.789 -6.313
487 HD2 ALY 4 HD2 ALY 68 -0.688 10.349 -4.693
488 HG3 ALY 4 HG3 ALY 68 -3.124 9.943 -5.306
489 HG2 ALY 4 HG2 ALY 68 -2.545 9.188 -6.803
490 HB3 ALY 4 HB3 ALY 68 -1.169 7.599 -5.379
491 HB2 ALY 4 HB2 ALY 68 -1.844 8.379 -3.951
492 HCA ALY 4 HA ALY 68 -4.154 7.699 -4.808
493 H ALY 4 H ALY 68 -2.077 5.842 -3.790
494 H GLN 5 H GLN 69 -5.212 5.679 -5.685
495 HA GLN 5 HA GLN 69 -5.755 4.163 -7.261
496 HB2 GLN 5 HB2 GLN 69 -4.388 6.003 -9.255
497 HB3 GLN 5 HB3 GLN 69 -5.565 4.736 -9.607
498 HG2 GLN 5 HG2 GLN 69 -7.219 5.966 -8.111
499 HG3 GLN 5 HG3 GLN 69 -6.071 7.312 -8.076
500 HE21 GLN 5 HE21 GLN 69 -5.221 7.769 -10.601
501 HE22 GLN 5 HE22 GLN 69 -6.585 7.950 -11.689
502 H THR 6 H THR 70 -3.243 3.813 -5.811
503 HA THR 6 HA THR 70 -1.299 2.566 -7.581
504 HB THR 6 HB THR 70 -0.191 2.090 -5.296
505 HG1 THR 6 HG1 THR 70 -1.972 2.304 -3.935
506 HG21 THR 6 HG21 THR 70 0.436 4.016 -6.720
507 HG22 THR 6 HG22 THR 70 0.495 4.405 -4.992
508 HG23 THR 6 HG23 THR 70 -0.862 4.974 -5.975
509 H ALA 7 H ALA 71 -4.109 1.355 -5.998
510 HA ALA 7 HA ALA 71 -3.224 -1.342 -5.504
511 HB1 ALA 7 HB1 ALA 71 -6.015 -0.204 -5.941
512 HB2 ALA 7 HB2 ALA 71 -5.171 -0.317 -4.380
513 HB3 ALA 7 HB3 ALA 71 -5.631 -1.797 -5.252
514 H ARG 8 H ARG 72 -3.686 -3.235 -6.653
515 HA ARG 8 HA ARG 72 -4.446 -3.109 -9.520
516 HB2 ARG 8 HB2 ARG 72 -1.911 -4.390 -8.416
517 HB3 ARG 8 HB3 ARG 72 -2.539 -4.664 -10.032
518 HG2 ARG 8 HG2 ARG 72 -1.575 -1.980 -8.943
519 HG3 ARG 8 HG3 ARG 72 -0.659 -3.049 -9.992
520 HD2 ARG 8 HD2 ARG 72 -3.280 -1.702 -10.743
521 HD3 ARG 8 HD3 ARG 72 -1.669 -1.147 -11.201
522 HE ARG 8 HE ARG 72 -1.753 -3.767 -12.105
523 HH11 ARG 8 HH11 ARG 72 -3.648 -0.898 -12.796
524 HH12 ARG 8 HH12 ARG 72 -4.041 -1.438 -14.405
525 HH21 ARG 8 HH21 ARG 72 -2.317 -4.399 -14.152
526 HH22 ARG 8 HH22 ARG 72 -3.299 -3.367 -15.151
Start of MODEL 20
1 H1 GLY 811 H1 GLY 1 -0.748 28.577 -2.646
2 H2 GLY 811 H2 GLY 1 -2.308 28.978 -2.958
3 H3 GLY 811 H3 GLY 1 -1.490 28.010 -3.992
4 HA2 GLY 811 HA2 GLY 1 -3.026 26.694 -2.686
5 HA3 GLY 811 HA3 GLY 1 -1.344 26.244 -2.366
6 HA PRO 812 HA PRO 2 -3.734 27.895 1.424
7 HB2 PRO 812 HB2 PRO 2 -5.048 25.772 2.515
8 HB3 PRO 812 HB3 PRO 2 -5.693 26.679 1.115
9 HG2 PRO 812 HG2 PRO 2 -4.082 24.100 1.057
10 HG3 PRO 812 HG3 PRO 2 -5.654 24.439 0.261
11 HD2 PRO 812 HD2 PRO 2 -3.301 24.682 -1.076
12 HD3 PRO 812 HD3 PRO 2 -4.649 25.833 -1.348
13 H LEU 813 H LEU 3 -1.580 25.286 1.077
14 HA LEU 813 HA LEU 3 0.077 24.312 2.227
15 HB2 LEU 813 HB2 LEU 3 -0.002 26.675 4.103
16 HB3 LEU 813 HB3 LEU 3 1.337 25.565 3.862
17 HG LEU 813 HG LEU 3 0.270 27.490 1.744
18 HD11 LEU 813 HD11 LEU 3 1.328 28.650 3.630
19 HD12 LEU 813 HD12 LEU 3 2.332 28.743 2.172
20 HD13 LEU 813 HD13 LEU 3 2.763 27.614 3.476
21 HD21 LEU 813 HD21 LEU 3 2.346 26.951 0.521
22 HD22 LEU 813 HD22 LEU 3 1.349 25.505 0.730
23 HD23 LEU 813 HD23 LEU 3 2.780 25.757 1.762
24 H GLY 814 H GLY 4 -2.442 25.311 4.504
25 HA2 GLY 814 HA2 GLY 4 -1.779 23.075 6.354
26 HA3 GLY 814 HA3 GLY 4 -2.807 24.466 6.686
27 H SER 815 H SER 5 -3.603 23.039 3.709
28 HA SER 815 HA SER 5 -5.807 21.411 4.803
29 HB2 SER 815 HB2 SER 5 -6.227 23.626 2.770
30 HB3 SER 815 HB3 SER 5 -7.465 22.555 3.442
31 HG SER 815 HG SER 5 -7.449 24.573 4.526
32 H VAL 816 H VAL 6 -3.294 20.778 3.309
33 HA VAL 816 HA VAL 6 -3.737 20.209 0.566
34 HB VAL 816 HB VAL 6 -1.781 19.157 2.665
35 HG11 VAL 816 HG11 VAL 6 -1.657 17.768 0.768
36 HG12 VAL 816 HG12 VAL 6 -0.220 18.799 0.827
37 HG13 VAL 816 HG13 VAL 6 -1.523 19.169 -0.335
38 HG21 VAL 816 HG21 VAL 6 -0.288 20.854 2.098
39 HG22 VAL 816 HG22 VAL 6 -1.786 21.702 2.373
40 HG23 VAL 816 HG23 VAL 6 -1.274 21.410 0.701
41 H GLN 817 H GLN 7 -4.677 18.525 -0.406
42 HA GLN 817 HA GLN 7 -5.383 16.135 1.196
43 HB2 GLN 817 HB2 GLN 7 -6.654 15.518 -0.715
44 HB3 GLN 817 HB3 GLN 7 -7.021 17.188 -0.310
45 HG2 GLN 817 HG2 GLN 7 -6.660 17.706 -2.455
46 HG3 GLN 817 HG3 GLN 7 -4.966 17.507 -2.171
47 HE21 GLN 817 HE21 GLN 7 -7.404 16.490 -4.261
48 HE22 GLN 817 HE22 GLN 7 -6.653 15.000 -4.795
49 H HIS 818 H HIS 8 -4.360 14.187 0.988
50 HA HIS 818 HA HIS 8 -2.572 13.755 -1.361
51 HB2 HIS 818 HB2 HIS 8 -1.894 13.550 1.507
52 HB3 HIS 818 HB3 HIS 8 -1.424 12.166 0.535
53 HD2 HIS 818 HD2 HIS 8 -0.592 15.797 1.040
54 HE1 HIS 818 HE1 HIS 8 1.748 14.618 -2.308
55 HE2 HIS 818 HE2 HIS 8 1.239 16.527 -0.729
56 H VAL 819 H VAL 9 -4.648 13.154 -2.199
57 HA VAL 819 HA VAL 9 -5.835 10.592 -1.806
58 HB VAL 819 HB VAL 9 -5.570 12.408 -4.196
59 HG11 VAL 819 HG11 VAL 9 -5.849 10.136 -5.103
60 HG12 VAL 819 HG12 VAL 9 -7.336 11.078 -5.259
61 HG13 VAL 819 HG13 VAL 9 -7.206 9.842 -3.979
62 HG21 VAL 819 HG21 VAL 9 -7.977 12.773 -3.697
63 HG22 VAL 819 HG22 VAL 9 -7.006 13.136 -2.265
64 HG23 VAL 819 HG23 VAL 9 -7.889 11.607 -2.358
65 H GLY 820 H GLY 10 -4.984 8.658 -1.888
66 HA2 GLY 820 HA2 GLY 10 -3.634 6.923 -2.812
67 HA3 GLY 820 HA3 GLY 10 -2.551 8.122 -3.503
68 H PHE 821 H PHE 11 -3.104 9.076 -0.264
69 HA PHE 821 HA PHE 11 -1.013 7.240 0.834
70 HB2 PHE 821 HB2 PHE 11 -0.953 10.218 1.271
71 HB3 PHE 821 HB3 PHE 11 0.236 9.023 1.734
72 HD1 PHE 821 HD1 PHE 11 -1.322 10.679 -1.237
73 HD2 PHE 821 HD2 PHE 11 2.129 8.712 0.407
74 HE1 PHE 821 HE1 PHE 11 -0.002 11.427 -3.177
75 HE2 PHE 821 HE2 PHE 11 3.449 9.389 -1.611
76 HZ PHE 821 HZ PHE 11 2.399 10.899 -3.302
77 H LYS 822 H LYS 12 -2.465 6.155 2.065
78 HA LYS 822 HA LYS 12 -4.155 7.530 4.107
79 HB2 LYS 822 HB2 LYS 12 -5.361 5.888 3.233
80 HB3 LYS 822 HB3 LYS 12 -4.046 4.885 2.808
81 HG2 LYS 822 HG2 LYS 12 -4.761 5.153 5.772
82 HG3 LYS 822 HG3 LYS 12 -5.847 4.337 4.708
83 HD2 LYS 822 HD2 LYS 12 -4.020 2.810 3.927
84 HD3 LYS 822 HD3 LYS 12 -2.890 3.679 4.971
85 HE2 LYS 822 HE2 LYS 12 -3.481 1.608 6.000
86 HE3 LYS 822 HE3 LYS 12 -4.081 2.961 6.965
87 HZ1 LYS 822 HZ1 LYS 12 -5.745 1.146 6.719
88 HZ2 LYS 822 HZ2 LYS 12 -5.770 1.334 5.100
89 HZ3 LYS 822 HZ3 LYS 12 -6.327 2.528 6.087
90 H CYS 823 H CYS 13 -3.748 7.462 6.271
91 HA CYS 823 HA CYS 13 -1.026 7.475 7.128
92 HB2 CYS 823 HB2 CYS 13 -2.786 8.945 7.980
93 HB3 CYS 823 HB3 CYS 13 -3.661 7.535 8.559
94 H ASP 824 H ASP 14 -0.021 6.276 8.650
95 HA ASP 824 HA ASP 14 -0.756 3.382 8.926
96 HB2 ASP 824 HB2 ASP 14 1.832 4.922 9.282
97 HB3 ASP 824 HB3 ASP 14 1.628 3.268 9.829
98 H ASN 825 H ASN 15 -0.258 6.290 10.864
99 HA ASN 825 HA ASN 15 -0.120 4.936 13.428
100 HB2 ASN 825 HB2 ASN 15 0.656 7.255 13.159
101 HB3 ASN 825 HB3 ASN 15 -1.014 7.757 12.759
102 HD21 ASN 825 HD21 ASN 15 -1.345 9.133 14.519
103 HD22 ASN 825 HD22 ASN 15 -1.331 8.548 16.188
104 H CYS 826 H CYS 16 -2.884 6.659 11.852
105 HA CYS 826 HA CYS 16 -4.713 5.264 13.717
106 HB2 CYS 826 HB2 CYS 16 -5.996 7.176 13.807
107 HB3 CYS 826 HB3 CYS 16 -4.343 7.770 13.902
108 H GLY 827 H GLY 17 -3.926 5.387 10.377
109 HA2 GLY 827 HA2 GLY 17 -4.566 3.792 8.868
110 HA3 GLY 827 HA3 GLY 17 -5.962 3.377 9.833
111 H ILE 828 H ILE 18 -5.888 6.731 9.560
112 HA ILE 828 HA ILE 18 -8.236 6.859 8.082
113 HB ILE 828 HB ILE 18 -7.596 8.548 9.679
114 HG12 ILE 828 HG12 ILE 18 -7.808 9.900 6.969
115 HG13 ILE 828 HG13 ILE 18 -9.151 9.077 7.701
116 HG21 ILE 828 HG21 ILE 18 -5.465 9.473 7.673
117 HG22 ILE 828 HG22 ILE 18 -5.143 8.672 9.206
118 HG23 ILE 828 HG23 ILE 18 -5.918 10.233 9.211
119 HD11 ILE 828 HD11 ILE 18 -9.357 11.422 8.180
120 HD12 ILE 828 HD12 ILE 18 -7.725 11.499 8.866
121 HD13 ILE 828 HD13 ILE 18 -8.998 10.578 9.700
122 H GLU 829 H GLU 19 -8.775 7.367 6.110
123 HA GLU 829 HA GLU 19 -7.226 6.618 3.868
124 HB2 GLU 829 HB2 GLU 19 -9.072 8.165 2.759
125 HB3 GLU 829 HB3 GLU 19 -9.387 6.518 3.169
126 HG2 GLU 829 HG2 GLU 19 -10.047 8.866 5.023
127 HG3 GLU 829 HG3 GLU 19 -11.137 8.324 3.753
128 HA PRO 830 HA PRO 20 -4.785 9.610 1.838
129 HB2 PRO 830 HB2 PRO 20 -7.529 10.718 1.145
130 HB3 PRO 830 HB3 PRO 20 -6.026 10.682 0.178
131 HG2 PRO 830 HG2 PRO 20 -8.026 8.744 0.207
132 HG3 PRO 830 HG3 PRO 20 -6.394 8.511 -0.484
133 HD2 PRO 830 HD2 PRO 20 -7.334 7.127 1.724
134 HD3 PRO 830 HD3 PRO 20 -5.617 7.395 1.340
135 H ILE 831 H ILE 21 -3.729 10.561 3.434
136 HA ILE 831 HA ILE 21 -4.636 12.062 5.534
137 HB ILE 831 HB ILE 21 -1.990 12.137 4.051
138 HG12 ILE 831 HG12 ILE 21 -2.566 10.892 6.773
139 HG13 ILE 831 HG13 ILE 21 -2.945 10.011 5.313
140 HG21 ILE 831 HG21 ILE 21 -2.685 13.467 6.706
141 HG22 ILE 831 HG22 ILE 21 -2.038 14.247 5.251
142 HG23 ILE 831 HG23 ILE 21 -1.027 13.155 6.183
143 HD11 ILE 831 HD11 ILE 21 -0.724 9.420 6.139
144 HD12 ILE 831 HD12 ILE 21 -0.182 11.090 5.923
145 HD13 ILE 831 HD13 ILE 21 -0.673 10.127 4.511
146 H GLN 832 H GLN 22 -5.094 14.055 6.099
147 HA GLN 832 HA GLN 22 -5.274 16.097 3.933
148 HB2 GLN 832 HB2 GLN 22 -7.056 15.732 6.357
149 HB3 GLN 832 HB3 GLN 22 -7.215 16.979 5.121
150 HG2 GLN 832 HG2 GLN 22 -7.467 13.985 4.590
151 HG3 GLN 832 HG3 GLN 22 -8.804 15.075 4.849
152 HE21 GLN 832 HE21 GLN 22 -7.413 13.480 2.397
153 HE22 GLN 832 HE22 GLN 22 -7.800 14.635 1.115
154 H GLY 833 H GLY 23 -4.527 18.056 4.225
155 HA2 GLY 833 HA2 GLY 23 -4.187 20.029 5.611
156 HA3 GLY 833 HA3 GLY 23 -3.529 19.029 6.863
157 H VAL 834 H VAL 24 -1.729 17.571 6.071
158 HA VAL 834 HA VAL 24 0.227 18.601 4.195
159 HB VAL 834 HB VAL 24 0.426 19.928 6.281
160 HG11 VAL 834 HG11 VAL 24 1.243 17.393 7.679
161 HG12 VAL 834 HG12 VAL 24 -0.297 18.266 7.901
162 HG13 VAL 834 HG13 VAL 24 1.231 19.044 8.343
163 HG21 VAL 834 HG21 VAL 24 2.788 18.073 5.776
164 HG22 VAL 834 HG22 VAL 24 2.862 19.591 6.692
165 HG23 VAL 834 HG23 VAL 24 2.460 19.645 4.982
166 H ARG 835 H ARG 25 1.418 16.761 3.433
167 HA ARG 835 HA ARG 25 0.713 14.138 4.697
168 HB2 ARG 835 HB2 ARG 25 0.612 13.895 2.410
169 HB3 ARG 835 HB3 ARG 25 2.054 14.860 2.090
170 HG2 ARG 835 HG2 ARG 25 3.459 13.058 3.043
171 HG3 ARG 835 HG3 ARG 25 1.995 12.089 3.336
172 HD2 ARG 835 HD2 ARG 25 1.593 12.011 0.891
173 HD3 ARG 835 HD3 ARG 25 3.026 13.014 0.621
174 HE ARG 835 HE ARG 25 3.163 10.364 2.060
175 HH11 ARG 835 HH11 ARG 25 4.562 12.279 -0.565
176 HH12 ARG 835 HH12 ARG 25 5.853 11.126 -0.739
177 HH21 ARG 835 HH21 ARG 25 4.649 9.061 1.761
178 HH22 ARG 835 HH22 ARG 25 6.002 9.375 0.691
179 H TRP 836 H TRP 26 2.373 12.725 5.460
180 HA TRP 836 HA TRP 26 4.940 14.082 6.142
181 HB2 TRP 836 HB2 TRP 26 3.259 12.531 8.097
182 HB3 TRP 836 HB3 TRP 26 4.960 12.751 8.264
183 HD1 TRP 836 HD1 TRP 26 1.797 14.773 8.548
184 HE1 TRP 836 HE1 TRP 26 2.372 17.003 9.771
185 HE3 TRP 836 HE3 TRP 26 6.841 14.607 8.194
186 HZ2 TRP 836 HZ2 TRP 26 4.734 18.234 10.851
187 HZ3 TRP 836 HZ3 TRP 26 8.275 16.162 9.491
188 HH2 TRP 836 HH2 TRP 26 7.234 17.945 10.871
189 H HIS 837 H HIS 27 6.137 13.165 4.685
190 HA HIS 837 HA HIS 27 6.025 10.253 3.992
191 HB2 HIS 837 HB2 HIS 27 6.341 11.873 2.168
192 HB3 HIS 837 HB3 HIS 27 7.622 12.672 3.029
193 HD2 HIS 837 HD2 HIS 27 10.044 11.941 2.554
194 HE1 HIS 837 HE1 HIS 27 9.302 8.252 0.544
195 HE2 HIS 837 HE2 HIS 27 11.101 9.915 1.233
196 H CYS 838 H CYS 28 7.208 8.803 5.253
197 HA CYS 838 HA CYS 28 9.152 9.704 7.170
198 HB2 CYS 838 HB2 CYS 28 7.685 7.716 7.250
199 HB3 CYS 838 HB3 CYS 28 8.778 6.993 6.057
200 H GLN 839 H GLN 29 11.253 9.997 7.056
201 HA GLN 839 HA GLN 29 12.393 10.596 4.484
202 HB2 GLN 839 HB2 GLN 29 13.749 10.437 7.197
203 HB3 GLN 839 HB3 GLN 29 14.416 11.233 5.790
204 HG2 GLN 839 HG2 GLN 29 11.736 12.161 6.884
205 HG3 GLN 839 HG3 GLN 29 13.215 12.557 7.740
206 HE21 GLN 839 HE21 GLN 29 12.159 14.725 7.257
207 HE22 GLN 839 HE22 GLN 29 12.578 15.485 5.731
208 H ASP 840 H ASP 30 12.810 7.915 6.809
209 HA ASP 840 HA ASP 30 15.042 6.787 5.178
210 HB2 ASP 840 HB2 ASP 30 15.223 7.322 7.681
211 HB3 ASP 840 HB3 ASP 30 13.971 6.189 7.890
212 H CYS 841 H CYS 31 11.670 6.013 6.112
213 HA CYS 841 HA CYS 31 11.720 3.223 5.517
214 HB2 CYS 841 HB2 CYS 31 9.526 5.301 5.395
215 HB3 CYS 841 HB3 CYS 31 9.283 3.681 4.800
216 HA PRO 842 HA PRO 32 12.437 3.430 1.122
217 HB2 PRO 842 HB2 PRO 32 11.781 0.932 0.269
218 HB3 PRO 842 HB3 PRO 32 13.164 1.233 1.369
219 HG2 PRO 842 HG2 PRO 32 10.368 0.331 2.108
220 HG3 PRO 842 HG3 PRO 32 11.931 -0.349 2.654
221 HD2 PRO 842 HD2 PRO 32 10.472 1.511 4.101
222 HD3 PRO 842 HD3 PRO 32 12.248 1.365 4.191
223 HA PRO 843 HA PRO 33 8.600 4.707 -0.796
224 HB2 PRO 843 HB2 PRO 33 9.759 3.461 -3.307
225 HB3 PRO 843 HB3 PRO 33 8.939 5.040 -3.112
226 HG2 PRO 843 HG2 PRO 33 11.628 4.958 -3.215
227 HG3 PRO 843 HG3 PRO 33 10.842 5.953 -1.941
228 HD2 PRO 843 HD2 PRO 33 12.010 3.165 -1.700
229 HD3 PRO 843 HD3 PRO 33 12.203 4.581 -0.620
230 H GLU 844 H GLU 34 9.673 1.397 -1.490
231 HA GLU 844 HA GLU 34 7.268 0.222 -2.370
232 HB2 GLU 844 HB2 GLU 34 9.494 -0.823 -2.434
233 HB3 GLU 844 HB3 GLU 34 9.516 -0.949 -0.666
234 HG2 GLU 844 HG2 GLU 34 7.719 -2.575 -0.693
235 HG3 GLU 844 HG3 GLU 34 7.387 -2.259 -2.401
236 H MET 845 H MET 35 8.269 1.016 0.906
237 HA MET 845 HA MET 35 5.814 -0.174 2.124
238 HB2 MET 845 HB2 MET 35 8.309 1.102 3.309
239 HB3 MET 845 HB3 MET 35 6.952 0.547 4.273
240 HG2 MET 845 HG2 MET 35 8.515 -1.258 2.401
241 HG3 MET 845 HG3 MET 35 8.872 -1.044 4.107
242 HE1 MET 845 HE1 MET 35 6.055 -1.076 5.660
243 HE2 MET 845 HE2 MET 35 7.516 -1.987 6.103
244 HE3 MET 845 HE3 MET 35 5.955 -2.817 5.962
245 H SER 846 H SER 36 7.479 2.975 1.821
246 HA SER 846 HA SER 36 6.882 5.119 2.331
247 HB2 SER 846 HB2 SER 36 6.071 4.828 0.080
248 HB3 SER 846 HB3 SER 36 4.508 4.242 0.678
249 HG SER 846 HG SER 36 4.093 6.286 1.534
250 H LEU 847 H LEU 37 6.702 4.761 4.675
251 HA LEU 847 HA LEU 37 3.963 4.527 5.701
252 HB2 LEU 847 HB2 LEU 37 6.648 4.589 7.087
253 HB3 LEU 847 HB3 LEU 37 5.186 5.034 7.951
254 HG LEU 847 HG LEU 37 4.278 2.763 6.745
255 HD11 LEU 847 HD11 LEU 37 6.392 2.269 5.635
256 HD12 LEU 847 HD12 LEU 37 5.844 0.984 6.738
257 HD13 LEU 847 HD13 LEU 37 7.160 2.074 7.217
258 HD21 LEU 847 HD21 LEU 37 5.793 2.337 9.233
259 HD22 LEU 847 HD22 LEU 37 4.257 1.664 8.682
260 HD23 LEU 847 HD23 LEU 37 4.316 3.344 9.210
261 H ASP 848 H ASP 38 2.747 6.099 6.673
262 HA ASP 848 HA ASP 38 3.574 8.865 6.086
263 HB2 ASP 848 HB2 ASP 38 1.030 7.645 4.985
264 HB3 ASP 848 HB3 ASP 38 1.504 9.332 4.913
265 H PHE 849 H PHE 39 2.512 10.449 7.252
266 HA PHE 849 HA PHE 39 0.402 9.551 9.160
267 HB2 PHE 849 HB2 PHE 39 2.823 11.171 10.037
268 HB3 PHE 849 HB3 PHE 39 1.537 10.503 11.018
269 HD1 PHE 849 HD1 PHE 39 4.671 9.721 9.241
270 HD2 PHE 849 HD2 PHE 39 1.292 8.069 11.299
271 HE1 PHE 849 HE1 PHE 39 5.806 7.532 9.333
272 HE2 PHE 849 HE2 PHE 39 2.466 5.880 11.503
273 HZ PHE 849 HZ PHE 39 4.708 5.586 10.466
274 H CYS 850 H CYS 40 -1.050 11.037 9.961
275 HA CYS 850 HA CYS 40 -1.569 13.421 8.556
276 HB2 CYS 850 HB2 CYS 40 -2.434 12.559 11.346
277 HB3 CYS 850 HB3 CYS 40 -3.279 13.721 10.325
278 H ASP 851 H ASP 41 -1.958 15.555 9.713
279 HA ASP 851 HA ASP 41 0.409 16.836 10.507
280 HB2 ASP 851 HB2 ASP 41 -0.926 18.727 10.884
281 HB3 ASP 851 HB3 ASP 41 -1.679 17.876 9.554
282 H SER 852 H SER 42 -1.996 15.219 12.517
283 HA SER 852 HA SER 42 -0.679 15.962 15.028
284 HB2 SER 852 HB2 SER 42 -3.131 15.845 14.901
285 HB3 SER 852 HB3 SER 42 -3.027 14.125 14.471
286 HG SER 852 HG SER 42 -3.397 14.470 16.738
287 H CYS 853 H CYS 43 -1.045 13.050 12.954
288 HA CYS 853 HA CYS 43 -0.015 11.213 14.881
289 HB2 CYS 853 HB2 CYS 43 -0.457 11.079 11.901
290 HB3 CYS 853 HB3 CYS 43 -0.061 9.713 12.912
291 H SER 854 H SER 44 1.487 13.292 12.525
292 HA SER 854 HA SER 44 4.010 11.995 12.147
293 HB2 SER 854 HB2 SER 44 4.724 14.169 11.435
294 HB3 SER 854 HB3 SER 44 3.057 13.947 10.919
295 HG SER 854 HG SER 44 3.479 16.023 11.946
296 H ASP 855 H ASP 45 2.629 13.563 14.945
297 HA ASP 855 HA ASP 45 5.177 13.865 16.344
298 HB2 ASP 855 HB2 ASP 45 3.183 15.438 16.613
299 HB3 ASP 855 HB3 ASP 45 2.372 14.126 17.470
300 H CYS 856 H CYS 46 3.185 11.261 15.604
301 HA CYS 856 HA CYS 46 3.382 9.814 18.113
302 HB2 CYS 856 HB2 CYS 46 1.465 9.543 16.421
303 HB3 CYS 856 HB3 CYS 46 2.626 8.680 15.398
304 HG CYS 856 HG CYS 46 1.094 6.948 16.722
305 H LEU 857 H LEU 47 4.766 8.203 18.521
306 HA LEU 857 HA LEU 47 7.166 7.878 16.768
307 HB2 LEU 857 HB2 LEU 47 7.421 8.649 19.131
308 HB3 LEU 857 HB3 LEU 47 6.840 7.070 19.663
309 HG LEU 857 HG LEU 47 8.867 6.530 17.723
310 HD11 LEU 857 HD11 LEU 47 9.621 8.867 18.009
311 HD12 LEU 857 HD12 LEU 47 10.814 7.726 18.618
312 HD13 LEU 857 HD13 LEU 47 9.780 8.598 19.763
313 HD21 LEU 857 HD21 LEU 47 10.069 5.593 19.682
314 HD22 LEU 857 HD22 LEU 47 8.364 5.116 19.613
315 HD23 LEU 857 HD23 LEU 47 8.899 6.372 20.761
316 H HIS 858 H HIS 48 5.396 6.756 15.448
317 HA HIS 858 HA HIS 48 4.701 4.035 16.334
318 HB2 HIS 858 HB2 HIS 48 3.012 5.434 15.156
319 HB3 HIS 858 HB3 HIS 48 4.077 5.558 13.754
320 HD2 HIS 858 HD2 HIS 48 3.707 3.769 11.898
321 HE1 HIS 858 HE1 HIS 48 1.604 0.816 14.145
322 HE2 HIS 858 HE2 HIS 48 2.436 1.459 11.830
323 H GLU 859 H GLU 49 5.322 2.108 15.193
324 HA GLU 859 HA GLU 49 7.589 2.305 13.352
325 HB2 GLU 859 HB2 GLU 49 7.768 0.605 15.896
326 HB3 GLU 859 HB3 GLU 49 9.035 0.914 14.763
327 HG2 GLU 859 HG2 GLU 49 9.093 3.308 15.491
328 HG3 GLU 859 HG3 GLU 49 7.801 2.938 16.634
329 H THR 860 H THR 50 8.130 0.375 12.227
330 HA THR 860 HA THR 50 6.287 -1.958 12.650
331 HB THR 860 HB THR 50 5.929 -2.292 10.360
332 HG1 THR 860 HG1 THR 50 6.872 -0.967 8.779
333 HG21 THR 860 HG21 THR 50 4.740 -0.324 9.607
334 HG22 THR 860 HG22 THR 50 5.564 0.708 10.808
335 HG23 THR 860 HG23 THR 50 4.460 -0.551 11.348
336 H ASP 861 H ASP 51 7.579 -3.388 10.460
337 HA ASP 861 HA ASP 51 9.909 -4.453 11.838
338 HB2 ASP 861 HB2 ASP 51 8.634 -5.118 9.219
339 HB3 ASP 861 HB3 ASP 51 9.974 -6.005 9.918
340 H ILE 862 H ILE 52 9.224 -2.214 9.291
341 HA ILE 862 HA ILE 52 12.086 -1.887 8.655
342 HB ILE 862 HB ILE 52 9.575 -0.892 7.256
343 HG12 ILE 862 HG12 ILE 52 10.257 -3.244 6.745
344 HG13 ILE 862 HG13 ILE 52 10.187 -2.172 5.377
345 HG21 ILE 862 HG21 ILE 52 11.279 0.055 5.614
346 HG22 ILE 862 HG22 ILE 52 12.471 -0.097 6.938
347 HG23 ILE 862 HG23 ILE 52 11.051 0.944 7.135
348 HD11 ILE 862 HD11 ILE 52 12.757 -2.992 6.776
349 HD12 ILE 862 HD12 ILE 52 12.621 -1.981 5.311
350 HD13 ILE 862 HD13 ILE 52 12.122 -3.677 5.264
351 H HIS 863 H HIS 53 9.119 -0.131 9.587
352 HA HIS 863 HA HIS 53 10.450 2.435 9.731
353 HB2 HIS 863 HB2 HIS 53 8.162 2.449 9.162
354 HB3 HIS 863 HB3 HIS 53 7.701 1.333 10.356
355 HD1 HIS 863 HD1 HIS 53 9.363 3.881 12.569
356 HD2 HIS 863 HD2 HIS 53 6.308 4.220 11.315
357 HE1 HIS 863 HE1 HIS 53 9.237 6.167 11.611
358 H LYS 864 H LYS 54 11.531 3.282 11.484
359 HA LYS 864 HA LYS 54 10.738 2.253 14.174
360 HB2 LYS 864 HB2 LYS 54 13.565 2.487 13.092
361 HB3 LYS 864 HB3 LYS 54 13.084 2.119 14.735
362 HG2 LYS 864 HG2 LYS 54 12.482 0.359 12.266
363 HG3 LYS 864 HG3 LYS 54 13.836 0.143 13.331
364 HD2 LYS 864 HD2 LYS 54 12.268 -0.323 15.246
365 HD3 LYS 864 HD3 LYS 54 10.944 -0.214 14.146
366 HE2 LYS 864 HE2 LYS 54 11.294 -2.467 14.098
367 HE3 LYS 864 HE3 LYS 54 12.157 -1.948 12.664
368 HZ1 LYS 864 HZ1 LYS 54 13.495 -3.500 13.991
369 HZ2 LYS 864 HZ2 LYS 54 13.421 -2.542 15.306
370 HZ3 LYS 864 HZ3 LYS 54 14.249 -2.054 13.978
371 H GLU 865 H GLU 55 11.632 3.417 15.993
372 HA GLU 865 HA GLU 55 11.383 6.248 15.954
373 HB2 GLU 865 HB2 GLU 55 12.108 6.070 18.244
374 HB3 GLU 865 HB3 GLU 55 11.079 4.694 17.850
375 HG2 GLU 865 HG2 GLU 55 13.180 3.310 17.548
376 HG3 GLU 865 HG3 GLU 55 14.129 4.706 18.061
377 H ASP 866 H ASP 56 13.932 4.427 14.729
378 HA ASP 866 HA ASP 56 16.242 6.013 15.391
379 HB2 ASP 866 HB2 ASP 56 15.670 3.933 13.319
380 HB3 ASP 866 HB3 ASP 56 17.240 4.679 13.524
381 H HIS 867 H HIS 57 13.579 6.307 13.062
382 HA HIS 867 HA HIS 57 15.051 8.371 11.594
383 HB2 HIS 867 HB2 HIS 57 13.597 7.590 9.724
384 HB3 HIS 867 HB3 HIS 57 14.954 6.576 10.160
385 HD1 HIS 867 HD1 HIS 57 14.122 4.459 9.103
386 HD2 HIS 867 HD2 HIS 57 11.301 6.560 11.330
387 HE1 HIS 867 HE1 HIS 57 11.866 4.131 7.975
388 H GLN 868 H GLN 58 13.244 9.439 10.225
389 HA GLN 868 HA GLN 58 11.146 10.556 11.881
390 HB2 GLN 868 HB2 GLN 58 12.030 12.839 11.955
391 HB3 GLN 868 HB3 GLN 58 13.034 11.717 12.839
392 HG2 GLN 868 HG2 GLN 58 13.655 12.703 10.018
393 HG3 GLN 868 HG3 GLN 58 14.267 13.453 11.482
394 HE21 GLN 868 HE21 GLN 58 15.330 11.461 9.083
395 HE22 GLN 868 HE22 GLN 58 16.403 10.450 10.035
396 H LEU 869 H LEU 59 10.170 12.559 10.736
397 HA LEU 869 HA LEU 59 9.483 11.606 8.006
398 HB2 LEU 869 HB2 LEU 59 7.851 13.381 9.829
399 HB3 LEU 869 HB3 LEU 59 7.324 12.462 8.418
400 HG LEU 869 HG LEU 59 6.330 11.463 10.195
401 HD11 LEU 869 HD11 LEU 59 7.213 9.207 10.349
402 HD12 LEU 869 HD12 LEU 59 8.778 9.736 9.720
403 HD13 LEU 869 HD13 LEU 59 7.309 9.838 8.695
404 HD21 LEU 869 HD21 LEU 59 7.184 10.786 12.272
405 HD22 LEU 869 HD22 LEU 59 7.689 12.461 12.035
406 HD23 LEU 869 HD23 LEU 59 8.855 11.128 11.826
407 H GLU 870 H GLU 60 8.665 13.071 6.445
408 HA GLU 870 HA GLU 60 9.865 15.802 6.356
409 HB2 GLU 870 HB2 GLU 60 10.653 14.090 4.626
410 HB3 GLU 870 HB3 GLU 60 9.010 13.920 4.142
411 HG2 GLU 870 HG2 GLU 60 9.847 15.263 2.542
412 HG3 GLU 870 HG3 GLU 60 9.015 16.422 3.565
413 HA PRO 871 HA PRO 61 5.412 16.838 6.172
414 HB2 PRO 871 HB2 PRO 61 5.556 19.543 6.435
415 HB3 PRO 871 HB3 PRO 61 5.830 18.439 7.808
416 HG2 PRO 871 HG2 PRO 61 7.895 19.842 6.105
417 HG3 PRO 871 HG3 PRO 61 7.874 19.623 7.880
418 HD2 PRO 871 HD2 PRO 61 9.296 18.026 6.093
419 HD3 PRO 871 HD3 PRO 61 8.761 17.476 7.700
420 H ILE 872 H ILE 62 4.100 17.330 4.403
421 HA ILE 872 HA ILE 62 5.372 18.662 2.048
422 HB ILE 872 HB ILE 62 3.313 16.529 1.788
423 HG12 ILE 872 HG12 ILE 62 5.190 15.410 2.997
424 HG13 ILE 872 HG13 ILE 62 4.878 14.749 1.418
425 HG21 ILE 872 HG21 ILE 62 4.162 16.398 -0.515
426 HG22 ILE 872 HG22 ILE 62 5.426 17.592 -0.131
427 HG23 ILE 872 HG23 ILE 62 3.735 18.066 -0.102
428 HD11 ILE 872 HD11 ILE 62 7.299 15.038 1.972
429 HD12 ILE 872 HD12 ILE 62 7.049 16.798 1.925
430 HD13 ILE 872 HD13 ILE 62 6.797 15.830 0.462
431 H TYR 873 H TYR 63 4.449 20.463 1.702
432 HA TYR 873 HA TYR 63 1.865 21.123 2.892
433 HB2 TYR 873 HB2 TYR 63 4.106 22.863 1.820
434 HB3 TYR 873 HB3 TYR 63 2.641 23.456 2.571
435 HD1 TYR 873 HD1 TYR 63 6.018 22.467 3.211
436 HD2 TYR 873 HD2 TYR 63 2.080 22.546 4.969
437 HE1 TYR 873 HE1 TYR 63 7.025 22.332 5.475
438 HE2 TYR 873 HE2 TYR 63 3.078 22.388 7.231
439 HH TYR 873 HH TYR 63 6.628 22.414 7.763
440 H ARG 874 H ARG 64 2.328 19.690 0.276
441 HA ARG 874 HA ARG 64 0.312 21.021 -1.366
442 HB2 ARG 874 HB2 ARG 64 1.823 21.182 -3.339
443 HB3 ARG 874 HB3 ARG 64 2.262 22.272 -2.020
444 HG2 ARG 874 HG2 ARG 64 4.050 20.681 -1.305
445 HG3 ARG 874 HG3 ARG 64 3.642 19.619 -2.654
446 HD2 ARG 874 HD2 ARG 64 4.418 22.525 -2.909
447 HD3 ARG 874 HD3 ARG 64 5.586 21.180 -2.985
448 HE ARG 874 HE ARG 64 3.629 20.591 -4.895
449 HH11 ARG 874 HH11 ARG 64 5.996 23.142 -4.493
450 HH12 ARG 874 HH12 ARG 64 6.105 23.435 -6.207
451 HH21 ARG 874 HH21 ARG 64 3.811 21.024 -7.065
452 HH22 ARG 874 HH22 ARG 64 4.903 22.259 -7.617
453 H1 ALA 1 H1 ALA 65 1.477 4.743 5.165
454 H2 ALA 1 H2 ALA 65 0.259 5.492 4.359
455 H3 ALA 1 H3 ALA 65 1.820 5.695 3.863
456 HA ALA 1 HA ALA 65 2.033 3.453 3.246
457 HB1 ALA 1 HB1 ALA 65 0.537 2.440 4.885
458 HB2 ALA 1 HB2 ALA 65 0.086 1.952 3.249
459 HB3 ALA 1 HB3 ALA 65 -0.874 3.188 4.097
460 H ARG 2 H ARG 66 2.274 3.686 1.166
461 HA ARG 2 HA ARG 66 0.712 5.328 -0.541
462 HB2 ARG 2 HB2 ARG 66 1.980 4.507 -2.332
463 HB3 ARG 2 HB3 ARG 66 3.061 4.580 -0.967
464 HG2 ARG 2 HG2 ARG 66 1.857 2.119 -2.293
465 HG3 ARG 2 HG3 ARG 66 3.542 2.593 -2.238
466 HD2 ARG 2 HD2 ARG 66 3.696 2.078 0.125
467 HD3 ARG 2 HD3 ARG 66 1.977 1.706 0.245
468 HE ARG 2 HE ARG 66 4.086 -0.002 -0.766
469 HH11 ARG 2 HH11 ARG 66 0.589 0.506 -0.972
470 HH12 ARG 2 HH12 ARG 66 0.311 -1.167 -1.385
471 HH21 ARG 2 HH21 ARG 66 3.638 -2.062 -1.317
472 HH22 ARG 2 HH22 ARG 66 1.997 -2.586 -1.579
473 H THR 3 H THR 67 -1.205 5.142 -1.305
474 HA THR 3 HA THR 67 -2.299 2.522 -2.251
475 HB THR 3 HB THR 67 -4.559 3.387 -1.762
476 HG1 THR 3 HG1 THR 67 -4.797 5.260 -0.583
477 HG21 THR 3 HG21 THR 67 -3.372 2.010 -0.032
478 HG22 THR 3 HG22 THR 67 -4.558 3.140 0.649
479 HG23 THR 3 HG23 THR 67 -2.824 3.516 0.743
480 HH31 ALY 4 H26 ALY 68 0.238 9.735 -11.112
481 HH32 ALY 4 H27 ALY 68 0.459 8.074 -10.512
482 HH33 ALY 4 H28 ALY 68 1.850 8.979 -11.148
483 HZ ALY 4 HZ1 ALY 68 -0.769 9.483 -8.792
484 HE3 ALY 4 HE3 ALY 68 0.974 10.940 -6.911
485 HE2 ALY 4 HE2 ALY 68 -0.770 10.722 -6.799
486 HD3 ALY 4 HD3 ALY 68 1.341 8.589 -6.240
487 HD2 ALY 4 HD2 ALY 68 0.401 9.479 -5.031
488 HG3 ALY 4 HG3 ALY 68 -1.695 8.486 -5.970
489 HG2 ALY 4 HG2 ALY 68 -0.709 7.547 -7.111
490 HB3 ALY 4 HB3 ALY 68 0.452 6.465 -5.181
491 HB2 ALY 4 HB2 ALY 68 -0.559 7.385 -4.065
492 HCA ALY 4 HA ALY 68 -2.587 6.287 -5.294
493 H ALY 4 H ALY 68 -0.880 5.249 -3.256
494 H GLN 5 H GLN 69 -2.610 5.976 -7.525
495 HA GLN 5 HA GLN 69 -0.726 4.149 -8.828
496 HB2 GLN 5 HB2 GLN 69 -2.411 2.717 -9.822
497 HB3 GLN 5 HB3 GLN 69 -2.470 2.604 -8.060
498 HG2 GLN 5 HG2 GLN 69 -4.451 4.129 -8.050
499 HG3 GLN 5 HG3 GLN 69 -4.395 4.206 -9.814
500 HE21 GLN 5 HE21 GLN 69 -6.773 3.435 -9.001
501 HE22 GLN 5 HE22 GLN 69 -6.971 1.690 -9.091
502 H THR 6 H THR 70 -0.809 4.247 -11.167
503 HA THR 6 HA THR 70 -1.482 6.897 -12.209
504 HB THR 6 HB THR 70 0.564 5.618 -12.869
505 HG1 THR 6 HG1 THR 70 0.027 7.260 -14.187
506 HG21 THR 6 HG21 THR 70 -0.473 3.359 -13.208
507 HG22 THR 6 HG22 THR 70 0.444 3.933 -14.612
508 HG23 THR 6 HG23 THR 70 -1.329 3.996 -14.630
509 H ALA 7 H ALA 71 -2.771 7.201 -14.205
510 HA ALA 7 HA ALA 71 -5.442 6.136 -13.897
511 HB1 ALA 7 HB1 ALA 71 -4.998 8.456 -14.599
512 HB2 ALA 7 HB2 ALA 71 -5.942 7.593 -15.827
513 HB3 ALA 7 HB3 ALA 71 -4.207 7.869 -16.081
514 H ARG 8 H ARG 72 -6.683 4.987 -15.437
515 HA ARG 8 HA ARG 72 -5.402 2.719 -16.704
516 HB2 ARG 8 HB2 ARG 72 -7.626 2.650 -15.607
517 HB3 ARG 8 HB3 ARG 72 -8.281 3.698 -16.879
518 HG2 ARG 8 HG2 ARG 72 -7.765 1.959 -18.577
519 HG3 ARG 8 HG3 ARG 72 -7.050 0.932 -17.316
520 HD2 ARG 8 HD2 ARG 72 -9.239 0.841 -16.162
521 HD3 ARG 8 HD3 ARG 72 -9.947 1.866 -17.432
522 HE ARG 8 HE ARG 72 -8.736 -0.403 -18.659
523 HH11 ARG 8 HH11 ARG 72 -9.928 -2.106 -19.425
524 HH12 ARG 8 HH12 ARG 72 -11.534 -2.392 -18.823
525 HH21 ARG 8 HH21 ARG 72 -11.537 0.274 -16.662
526 HH22 ARG 8 HH22 ARG 72 -12.430 -1.076 -17.301