Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16863 | 2axk RC | 6924 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HN PCA 1 H PCA 1 -1.257 -11.428 -0.207
2 HA PCA 1 HA PCA 1 -2.828 -9.637 0.807
3 1HB PCA 1 1HB PCA 1 -1.764 -8.609 2.526
4 2HB PCA 1 2HB PCA 1 -0.622 -7.877 1.386
5 1HG PCA 1 1HG PCA 1 -0.164 -9.968 3.259
6 2HG PCA 1 2HG PCA 1 0.976 -9.265 2.089
7 H ILE 2 H ILE 2 -2.227 -7.008 0.241
8 HA ILE 2 HA ILE 2 -2.256 -7.075 -2.654
9 HB ILE 2 HB ILE 2 -2.689 -4.830 -0.689
10 1HG1 ILE 2 1HG1 ILE 2 -4.597 -6.288 -2.529
11 2HG1 ILE 2 2HG1 ILE 2 -4.457 -6.543 -0.793
12 1HG2 ILE 2 1HG2 ILE 2 -2.918 -4.746 -3.694
13 2HG2 ILE 2 2HG2 ILE 2 -3.418 -3.464 -2.588
14 3HG2 ILE 2 3HG2 ILE 2 -1.716 -3.908 -2.711
15 1HD1 ILE 2 1HD1 ILE 2 -5.183 -4.249 -0.396
16 2HD1 ILE 2 2HD1 ILE 2 -5.319 -3.992 -2.135
17 3HD1 ILE 2 3HD1 ILE 2 -6.371 -5.156 -1.331
18 H ASP 3 H ASP 3 -0.285 -7.324 -3.496
19 HA ASP 3 HA ASP 3 1.768 -5.350 -2.765
20 1HB ASP 3 1HB ASP 3 2.597 -7.549 -2.235
21 2HB ASP 3 2HB ASP 3 2.096 -8.176 -3.804
22 H THR 4 H THR 4 1.491 -3.770 -4.194
23 HA THR 4 HA THR 4 0.778 -4.373 -6.942
24 HB THR 4 HB THR 4 0.732 -1.832 -7.113
25 HG1 THR 4 1HG THR 4 1.748 -0.971 -5.442
26 1HG2 THR 4 1HG2 THR 4 -1.295 -3.175 -6.821
27 2HG2 THR 4 2HG2 THR 4 -1.407 -1.659 -5.927
28 3HG2 THR 4 3HG2 THR 4 -1.056 -3.163 -5.075
29 H ASN 5 H ASN 5 3.580 -4.426 -5.360
30 HA ASN 5 HA ASN 5 5.781 -4.127 -5.834
31 1HB ASN 5 1HB ASN 5 4.983 -5.513 -7.816
32 2HB ASN 5 2HB ASN 5 4.926 -4.014 -8.735
33 1HD2 ASN 5 1HD2 ASN 5 6.807 -3.105 -9.465
34 2HD2 ASN 5 2HD2 ASN 5 8.350 -3.877 -9.325
35 H VAL 6 H VAL 6 4.784 -1.947 -4.929
36 HA VAL 6 HA VAL 6 5.721 0.239 -6.666
37 HB VAL 6 HB VAL 6 3.372 0.285 -4.759
38 1HG1 VAL 6 1HG1 VAL 6 4.589 2.385 -4.626
39 2HG1 VAL 6 2HG1 VAL 6 4.575 2.526 -6.384
40 3HG1 VAL 6 3HG1 VAL 6 3.064 2.622 -5.480
41 1HG2 VAL 6 1HG2 VAL 6 3.504 0.633 -7.752
42 2HG2 VAL 6 2HG2 VAL 6 2.851 -0.761 -6.889
43 3HG2 VAL 6 3HG2 VAL 6 2.056 0.808 -6.759
44 H LYS 7 H LYS 7 7.428 1.180 -5.822
45 HA LYS 7 HA LYS 7 8.413 0.608 -3.240
46 1HB LYS 7 1HB LYS 7 9.140 2.749 -5.246
47 2HB LYS 7 2HB LYS 7 9.986 2.558 -3.719
48 1HG LYS 7 1HG LYS 7 11.223 1.511 -5.514
49 2HG LYS 7 2HG LYS 7 10.650 0.291 -4.379
50 1HD LYS 7 1HD LYS 7 8.922 -0.389 -5.867
51 2HD LYS 7 2HD LYS 7 9.205 0.992 -6.924
52 1HE LYS 7 1HE LYS 7 11.189 -1.217 -6.420
53 2HE LYS 7 2HE LYS 7 10.104 -1.137 -7.808
54 1HZ LYS 7 1HZ LYS 7 11.145 1.108 -8.253
55 2HZ LYS 7 2HZ LYS 7 12.121 -0.251 -8.540
56 3HZ LYS 7 3HZ LYS 7 12.348 0.673 -7.133
57 H CYS 8 H CYS 8 8.594 1.997 -1.400
58 HA CYS 8 HA CYS 8 6.162 3.542 -1.121
59 1HB CYS 8 1HB CYS 8 6.645 3.544 1.275
60 2HB CYS 8 2HB CYS 8 6.702 1.916 0.614
61 H SER 9 H SER 9 6.230 5.551 -1.802
62 HA SER 9 HA SER 9 8.471 7.296 -1.218
63 1HB SER 9 1HB SER 9 7.251 7.608 -3.316
64 2HB SER 9 2HB SER 9 5.737 7.802 -2.439
65 HG SER 9 HG SER 9 7.984 9.546 -2.432
66 H GLY 10 H GLY 10 7.311 5.990 0.970
67 1HA GLY 10 1HA GLY 10 6.869 6.931 3.165
68 2HA GLY 10 2HA GLY 10 5.826 8.111 2.374
69 H SER 11 H SER 11 5.608 5.601 4.344
70 HA SER 11 HA SER 11 3.821 3.799 3.139
71 1HB SER 11 1HB SER 11 3.957 4.604 6.058
72 2HB SER 11 2HB SER 11 3.222 3.135 5.415
73 HG SER 11 HG SER 11 5.691 3.436 6.180
74 H SER 12 H SER 12 3.385 7.045 4.142
75 HA SER 12 HA SER 12 0.571 6.809 4.681
76 1HB SER 12 1HB SER 12 2.194 9.329 4.299
77 2HB SER 12 2HB SER 12 0.630 9.180 5.103
78 HG SER 12 HG SER 12 3.179 8.371 5.970
79 H LYS 13 H LYS 13 2.367 6.938 1.859
80 HA LYS 13 HA LYS 13 0.384 8.357 0.300
81 1HB LYS 13 1HB LYS 13 2.768 8.379 -0.376
82 2HB LYS 13 2HB LYS 13 2.696 6.639 -0.622
83 1HG LYS 13 1HG LYS 13 1.145 6.892 -2.425
84 2HG LYS 13 2HG LYS 13 0.997 8.620 -2.115
85 1HD LYS 13 1HD LYS 13 3.679 7.452 -2.735
86 2HD LYS 13 2HD LYS 13 2.535 7.749 -4.042
87 1HE LYS 13 1HE LYS 13 3.786 9.705 -3.969
88 2HE LYS 13 2HE LYS 13 2.336 10.114 -3.058
89 1HZ LYS 13 1HZ LYS 13 4.119 10.939 -1.818
90 2HZ LYS 13 2HZ LYS 13 5.045 9.537 -2.017
91 3HZ LYS 13 3HZ LYS 13 3.681 9.513 -1.011
92 H CYS 14 H CYS 14 1.503 5.023 0.647
93 HA CYS 14 HA CYS 14 -0.355 3.866 -1.104
94 1HB CYS 14 1HB CYS 14 0.175 1.864 0.666
95 2HB CYS 14 2HB CYS 14 1.192 2.290 -0.708
96 H VAL 15 H VAL 15 -0.459 4.291 2.425
97 HA VAL 15 HA VAL 15 -2.743 2.764 2.884
98 HB VAL 15 HB VAL 15 -1.304 3.481 4.697
99 1HG1 VAL 15 1HG1 VAL 15 -2.364 6.242 4.146
100 2HG1 VAL 15 2HG1 VAL 15 -1.354 5.786 5.519
101 3HG1 VAL 15 3HG1 VAL 15 -0.715 5.675 3.877
102 1HG2 VAL 15 1HG2 VAL 15 -3.005 4.150 6.323
103 2HG2 VAL 15 2HG2 VAL 15 -4.105 4.554 5.006
104 3HG2 VAL 15 3HG2 VAL 15 -3.598 2.882 5.250
105 H LYS 16 H LYS 16 -2.433 5.998 1.642
106 HA LYS 16 HA LYS 16 -5.261 6.554 1.990
107 1HB LYS 16 1HB LYS 16 -3.665 8.371 2.319
108 2HB LYS 16 2HB LYS 16 -3.067 8.167 0.679
109 1HG LYS 16 1HG LYS 16 -5.267 8.807 -0.193
110 2HG LYS 16 2HG LYS 16 -5.842 9.041 1.458
111 1HD LYS 16 1HD LYS 16 -5.219 11.170 0.454
112 2HD LYS 16 2HD LYS 16 -4.144 10.777 1.797
113 1HE LYS 16 1HE LYS 16 -2.456 9.981 0.218
114 2HE LYS 16 2HE LYS 16 -3.535 10.345 -1.129
115 1HZ LYS 16 1HZ LYS 16 -2.578 12.383 0.805
116 2HZ LYS 16 2HZ LYS 16 -3.404 12.658 -0.649
117 3HZ LYS 16 3HZ LYS 16 -1.814 12.063 -0.673
118 H ILE 17 H ILE 17 -2.989 5.891 -0.661
119 HA ILE 17 HA ILE 17 -5.053 6.329 -2.630
120 HB ILE 17 HB ILE 17 -2.696 6.950 -3.054
121 1HG1 ILE 17 1HG1 ILE 17 -2.744 6.379 -5.370
122 2HG1 ILE 17 2HG1 ILE 17 -3.639 4.895 -5.049
123 1HG2 ILE 17 1HG2 ILE 17 -1.094 5.218 -3.735
124 2HG2 ILE 17 2HG2 ILE 17 -1.549 5.093 -2.035
125 3HG2 ILE 17 3HG2 ILE 17 -2.244 3.984 -3.218
126 1HD1 ILE 17 1HD1 ILE 17 -4.717 7.674 -4.632
127 2HD1 ILE 17 2HD1 ILE 17 -5.030 6.665 -6.047
128 3HD1 ILE 17 3HD1 ILE 17 -5.602 6.156 -4.453
129 H CYS 18 H CYS 18 -3.589 3.604 -1.054
130 HA CYS 18 HA CYS 18 -4.453 1.621 -2.880
131 1HB CYS 18 1HB CYS 18 -2.742 1.390 -0.983
132 2HB CYS 18 2HB CYS 18 -4.119 1.149 0.077
133 H ILE 19 H ILE 19 -6.075 3.464 -0.489
134 HA ILE 19 HA ILE 19 -8.373 1.888 -0.116
135 HB ILE 19 HB ILE 19 -8.159 4.906 -0.109
136 1HG1 ILE 19 1HG1 ILE 19 -7.990 2.935 2.180
137 2HG1 ILE 19 2HG1 ILE 19 -6.633 3.825 1.499
138 1HG2 ILE 19 1HG2 ILE 19 -10.467 4.182 -0.317
139 2HG2 ILE 19 2HG2 ILE 19 -10.268 3.088 1.053
140 3HG2 ILE 19 3HG2 ILE 19 -10.178 4.831 1.298
141 1HD1 ILE 19 1HD1 ILE 19 -7.683 5.925 2.191
142 2HD1 ILE 19 2HD1 ILE 19 -9.013 5.016 2.907
143 3HD1 ILE 19 3HD1 ILE 19 -7.380 4.850 3.556
144 H ASP 20 H ASP 20 -7.438 4.203 -2.573
145 HA ASP 20 HA ASP 20 -10.016 4.226 -3.844
146 1HB ASP 20 1HB ASP 20 -8.386 6.148 -3.876
147 2HB ASP 20 2HB ASP 20 -7.375 5.192 -4.956
148 H ARG 21 H ARG 21 -7.135 2.373 -4.006
149 HA ARG 21 HA ARG 21 -7.368 1.321 -6.609
150 1HB ARG 21 1HB ARG 21 -6.055 0.226 -4.125
151 2HB ARG 21 2HB ARG 21 -5.892 -0.479 -5.716
152 1HG ARG 21 1HG ARG 21 -4.810 1.535 -6.532
153 2HG ARG 21 2HG ARG 21 -5.013 2.289 -4.943
154 1HD ARG 21 1HD ARG 21 -3.636 0.568 -3.929
155 2HD ARG 21 2HD ARG 21 -3.467 -0.246 -5.484
156 HE ARG 21 HE ARG 21 -2.524 2.305 -5.893
157 1HH1 ARG 21 2HH1 ARG 21 -1.755 -0.362 -3.760
158 2HH1 ARG 21 1HH1 ARG 21 -0.073 0.031 -3.653
159 1HH2 ARG 21 2HH2 ARG 21 -0.313 2.864 -5.729
160 2HH2 ARG 21 1HH2 ARG 21 0.751 1.878 -4.772
161 H TYR 22 H TYR 22 -7.992 -0.309 -3.491
162 HA TYR 22 HA TYR 22 -9.805 -2.097 -4.966
163 1HB TYR 22 1HB TYR 22 -7.931 -2.770 -2.692
164 2HB TYR 22 2HB TYR 22 -9.112 -3.884 -3.369
165 HD1 TYR 22 1HD TYR 22 -8.892 -4.527 -5.813
166 HD2 TYR 22 2HD TYR 22 -5.811 -2.504 -3.690
167 HE1 TYR 22 1HE TYR 22 -7.266 -5.222 -7.521
168 HE2 TYR 22 2HE TYR 22 -4.176 -3.189 -5.395
169 HH TYR 22 HH TYR 22 -3.937 -5.014 -7.084
170 H ASN 23 H ASN 23 -9.284 -2.260 -1.523
171 HA ASN 23 HA ASN 23 -11.767 -0.952 -0.855
172 1HB ASN 23 1HB ASN 23 -12.905 -2.962 -0.046
173 2HB ASN 23 2HB ASN 23 -12.560 -3.111 -1.766
174 1HD2 ASN 23 1HD2 ASN 23 -12.992 -5.118 0.400
175 2HD2 ASN 23 2HD2 ASN 23 -11.614 -6.172 0.311
176 H THR 24 H THR 24 -8.832 -1.130 -0.098
177 HA THR 24 HA THR 24 -9.081 -2.115 2.651
178 HB THR 24 HB THR 24 -7.324 -3.228 1.403
179 HG1 THR 24 1HG THR 24 -6.023 -3.135 3.082
180 1HG2 THR 24 1HG2 THR 24 -5.387 -2.007 0.532
181 2HG2 THR 24 2HG2 THR 24 -6.143 -0.480 0.986
182 3HG2 THR 24 3HG2 THR 24 -6.876 -1.493 -0.260
183 H ARG 25 H ARG 25 -7.919 -0.936 4.298
184 HA ARG 25 HA ARG 25 -7.766 1.956 3.787
185 1HB ARG 25 1HB ARG 25 -8.422 2.044 6.334
186 2HB ARG 25 2HB ARG 25 -9.662 1.894 5.098
187 1HG ARG 25 1HG ARG 25 -10.082 0.404 6.978
188 2HG ARG 25 2HG ARG 25 -9.797 -0.504 5.496
189 1HD ARG 25 1HD ARG 25 -7.381 -0.717 6.280
190 2HD ARG 25 2HD ARG 25 -7.958 -0.138 7.847
191 HE ARG 25 HE ARG 25 -9.624 -2.133 7.503
192 1HH1 ARG 25 2HH1 ARG 25 -6.171 -2.020 6.903
193 2HH1 ARG 25 1HH1 ARG 25 -5.966 -3.742 6.982
194 1HH2 ARG 25 2HH2 ARG 25 -9.361 -4.389 7.622
195 2HH2 ARG 25 1HH2 ARG 25 -7.786 -5.099 7.392
196 H GLY 26 H GLY 26 -5.858 -0.510 4.119
197 1HA GLY 26 1HA GLY 26 -4.001 0.887 5.915
198 2HA GLY 26 2HA GLY 26 -4.405 -0.786 6.266
199 H ALA 27 H ALA 27 -2.196 1.164 4.860
200 HA ALA 27 HA ALA 27 -0.958 -1.141 3.564
201 1HB ALA 27 1HB ALA 27 -1.955 0.116 1.728
202 2HB ALA 27 2HB ALA 27 -1.161 1.590 2.285
203 3HB ALA 27 3HB ALA 27 -0.196 0.246 1.676
204 H LYS 28 H LYS 28 1.293 -1.134 3.714
205 HA LYS 28 HA LYS 28 2.524 1.081 5.185
206 1HB LYS 28 1HB LYS 28 1.748 -0.490 6.892
207 2HB LYS 28 2HB LYS 28 2.564 -1.812 6.072
208 1HG LYS 28 1HG LYS 28 4.726 -0.646 6.479
209 2HG LYS 28 2HG LYS 28 3.845 0.541 7.441
210 1HD LYS 28 1HD LYS 28 3.122 -1.187 8.974
211 2HD LYS 28 2HD LYS 28 3.896 -2.425 7.981
212 1HE LYS 28 1HE LYS 28 6.078 -1.365 8.399
213 2HE LYS 28 2HE LYS 28 5.286 -0.167 9.424
214 1HZ LYS 28 1HZ LYS 28 6.249 -1.919 10.760
215 2HZ LYS 28 2HZ LYS 28 5.381 -3.102 9.912
216 3HZ LYS 28 3HZ LYS 28 4.562 -1.981 10.878
217 H CYS 29 H CYS 29 4.685 1.352 4.781
218 HA CYS 29 HA CYS 29 5.900 -0.307 2.741
219 1HB CYS 29 1HB CYS 29 6.312 2.060 2.569
220 2HB CYS 29 2HB CYS 29 6.866 2.138 4.238
221 H ILE 30 H ILE 30 6.771 -2.185 3.342
222 HA ILE 30 HA ILE 30 7.950 -2.336 6.038
223 HB ILE 30 HB ILE 30 5.924 -3.645 5.959
224 1HG1 ILE 30 1HG1 ILE 30 6.815 -5.878 6.545
225 2HG1 ILE 30 2HG1 ILE 30 8.368 -5.420 5.855
226 1HG2 ILE 30 1HG2 ILE 30 7.142 -5.152 3.655
227 2HG2 ILE 30 2HG2 ILE 30 5.599 -5.502 4.430
228 3HG2 ILE 30 3HG2 ILE 30 5.814 -3.995 3.537
229 1HD1 ILE 30 1HD1 ILE 30 8.605 -3.676 7.534
230 2HD1 ILE 30 2HD1 ILE 30 7.034 -4.106 8.211
231 3HD1 ILE 30 3HD1 ILE 30 8.371 -5.255 8.284
232 H ASN 31 H ASN 31 8.176 -3.631 2.742
233 HA ASN 31 HA ASN 31 10.924 -4.494 3.323
234 1HB ASN 31 1HB ASN 31 10.673 -5.997 1.378
235 2HB ASN 31 2HB ASN 31 9.450 -6.305 2.603
236 1HD2 ASN 31 1HD2 ASN 31 9.320 -7.042 -0.154
237 2HD2 ASN 31 2HD2 ASN 31 7.954 -6.226 -0.831
238 H GLY 32 H GLY 32 9.843 -1.785 2.529
239 1HA GLY 32 1HA GLY 32 11.185 -0.121 1.470
240 2HA GLY 32 2HA GLY 32 11.750 -1.341 0.337
241 H ARG 33 H ARG 33 8.640 -2.011 0.510
242 HA ARG 33 HA ARG 33 7.784 0.052 -1.385
243 1HB ARG 33 1HB ARG 33 6.853 -1.510 -2.868
244 2HB ARG 33 2HB ARG 33 8.466 -2.107 -2.505
245 1HG ARG 33 1HG ARG 33 7.594 -3.737 -0.996
246 2HG ARG 33 2HG ARG 33 5.967 -3.070 -1.152
247 1HD ARG 33 1HD ARG 33 6.111 -5.000 -2.512
248 2HD ARG 33 2HD ARG 33 6.047 -3.597 -3.570
249 HE ARG 33 HE ARG 33 8.727 -4.134 -3.204
250 1HH1 ARG 33 2HH1 ARG 33 5.950 -5.920 -4.381
251 2HH1 ARG 33 1HH1 ARG 33 6.875 -6.851 -5.525
252 1HH2 ARG 33 2HH2 ARG 33 9.938 -5.327 -4.727
253 2HH2 ARG 33 1HH2 ARG 33 9.144 -6.490 -5.740
254 H CYS 34 H CYS 34 5.361 -0.043 -1.700
255 HA CYS 34 HA CYS 34 4.176 -0.103 0.954
256 1HB CYS 34 1HB CYS 34 3.430 1.139 -1.665
257 2HB CYS 34 2HB CYS 34 2.200 0.917 -0.424
258 H THR 35 H THR 35 3.287 -1.900 1.613
259 HA THR 35 HA THR 35 1.775 -3.545 -0.309
260 HB THR 35 HB THR 35 2.936 -4.408 2.353
261 HG1 THR 35 1HG THR 35 4.569 -3.919 0.785
262 1HG2 THR 35 1HG2 THR 35 2.525 -6.682 1.472
263 2HG2 THR 35 2HG2 THR 35 1.738 -5.971 0.063
264 3HG2 THR 35 3HG2 THR 35 1.037 -5.756 1.668
265 H CYS 36 H CYS 36 -0.372 -3.934 0.115
266 HA CYS 36 HA CYS 36 -1.498 -2.409 2.357
267 1HB CYS 36 1HB CYS 36 -3.000 -3.578 0.019
268 2HB CYS 36 2HB CYS 36 -3.549 -2.342 1.144
269 H TYR 37 H TYR 37 -2.524 -3.354 3.997
270 HA TYR 37 HA TYR 37 -2.879 -6.279 3.877
271 1HB TYR 37 1HB TYR 37 -2.040 -4.616 6.261
272 2HB TYR 37 2HB TYR 37 -2.300 -6.356 6.266
273 HD1 TYR 37 1HD TYR 37 -0.686 -7.856 5.236
274 HD2 TYR 37 2HD TYR 37 -0.043 -3.648 5.259
275 HE1 TYR 37 1HE TYR 37 1.672 -8.224 4.653
276 HE2 TYR 37 2HE TYR 37 2.321 -4.005 4.675
277 HH TYR 37 HH TYR 37 3.519 -6.959 3.566
278 HA PRO 38 HA PRO 38 -6.981 -4.522 4.966
279 1HB PRO 38 1HB PRO 38 -8.062 -6.545 3.179
280 2HB PRO 38 2HB PRO 38 -8.152 -4.787 3.041
281 1HG PRO 38 1HG PRO 38 -6.696 -6.300 1.332
282 2HG PRO 38 2HG PRO 38 -6.221 -4.650 1.794
283 1HD PRO 38 1HD PRO 38 -5.228 -7.270 2.896
284 2HD PRO 38 2HD PRO 38 -4.294 -5.850 2.366
Start of MODEL 2
1 HN PCA 1 H PCA 1 -3.972 -10.198 1.620
2 HA PCA 1 HA PCA 1 -3.078 -7.816 2.071
3 1HB PCA 1 1HB PCA 1 -0.963 -7.928 2.876
4 2HB PCA 1 2HB PCA 1 -0.394 -8.607 1.343
5 1HG PCA 1 1HG PCA 1 -0.763 -9.918 3.847
6 2HG PCA 1 2HG PCA 1 -0.185 -10.602 2.311
7 H ILE 2 H ILE 2 -2.266 -6.374 0.446
8 HA ILE 2 HA ILE 2 -2.136 -7.503 -2.275
9 HB ILE 2 HB ILE 2 -3.488 -4.946 -1.376
10 1HG1 ILE 2 1HG1 ILE 2 -4.539 -7.359 -2.868
11 2HG1 ILE 2 2HG1 ILE 2 -4.846 -6.984 -1.177
12 1HG2 ILE 2 1HG2 ILE 2 -3.952 -4.540 -3.777
13 2HG2 ILE 2 2HG2 ILE 2 -2.240 -4.421 -3.365
14 3HG2 ILE 2 3HG2 ILE 2 -2.857 -5.862 -4.179
15 1HD1 ILE 2 1HD1 ILE 2 -6.055 -4.977 -1.833
16 2HD1 ILE 2 2HD1 ILE 2 -5.724 -5.321 -3.530
17 3HD1 ILE 2 3HD1 ILE 2 -6.743 -6.414 -2.592
18 H ASP 3 H ASP 3 -0.248 -7.047 -3.258
19 HA ASP 3 HA ASP 3 1.401 -4.914 -2.090
20 1HB ASP 3 1HB ASP 3 2.216 -7.373 -2.324
21 2HB ASP 3 2HB ASP 3 2.385 -6.992 -4.034
22 H THR 4 H THR 4 1.675 -3.095 -3.215
23 HA THR 4 HA THR 4 0.444 -2.792 -5.785
24 HB THR 4 HB THR 4 1.499 -0.466 -5.634
25 HG1 THR 4 1HG THR 4 1.899 -0.346 -3.059
26 1HG2 THR 4 1HG2 THR 4 -0.348 -1.429 -3.436
27 2HG2 THR 4 2HG2 THR 4 -0.827 -0.866 -5.038
28 3HG2 THR 4 3HG2 THR 4 -0.104 0.260 -3.887
29 H ASN 5 H ASN 5 3.575 -3.517 -4.580
30 HA ASN 5 HA ASN 5 5.509 -4.127 -5.576
31 1HB ASN 5 1HB ASN 5 3.687 -4.243 -7.972
32 2HB ASN 5 2HB ASN 5 5.407 -4.605 -8.108
33 1HD2 ASN 5 1HD2 ASN 5 5.427 -5.805 -5.395
34 2HD2 ASN 5 2HD2 ASN 5 4.680 -7.351 -5.578
35 H VAL 6 H VAL 6 4.959 -1.603 -4.979
36 HA VAL 6 HA VAL 6 6.342 -0.004 -6.999
37 HB VAL 6 HB VAL 6 3.655 0.441 -5.762
38 1HG1 VAL 6 1HG1 VAL 6 3.724 2.802 -6.346
39 2HG1 VAL 6 2HG1 VAL 6 4.896 2.399 -5.092
40 3HG1 VAL 6 3HG1 VAL 6 5.434 2.652 -6.751
41 1HG2 VAL 6 1HG2 VAL 6 4.781 0.869 -8.521
42 2HG2 VAL 6 2HG2 VAL 6 3.722 -0.440 -8.001
43 3HG2 VAL 6 3HG2 VAL 6 3.119 1.217 -8.043
44 H LYS 7 H LYS 7 8.148 0.703 -6.011
45 HA LYS 7 HA LYS 7 8.512 0.782 -3.230
46 1HB LYS 7 1HB LYS 7 10.634 1.729 -3.611
47 2HB LYS 7 2HB LYS 7 10.335 0.704 -5.003
48 1HG LYS 7 1HG LYS 7 9.807 3.659 -5.035
49 2HG LYS 7 2HG LYS 7 11.380 2.969 -5.434
50 1HD LYS 7 1HD LYS 7 10.385 1.709 -7.260
51 2HD LYS 7 2HD LYS 7 8.784 2.314 -6.826
52 1HE LYS 7 1HE LYS 7 11.102 4.056 -7.645
53 2HE LYS 7 2HE LYS 7 9.826 3.516 -8.737
54 1HZ LYS 7 1HZ LYS 7 9.480 5.773 -7.808
55 2HZ LYS 7 2HZ LYS 7 9.333 5.090 -6.266
56 3HZ LYS 7 3HZ LYS 7 8.211 4.700 -7.473
57 H CYS 8 H CYS 8 8.586 2.479 -1.759
58 HA CYS 8 HA CYS 8 6.936 4.780 -2.574
59 1HB CYS 8 1HB CYS 8 5.984 4.627 -0.228
60 2HB CYS 8 2HB CYS 8 5.537 3.314 -1.318
61 H SER 9 H SER 9 7.169 6.700 -1.284
62 HA SER 9 HA SER 9 9.822 7.131 -0.206
63 1HB SER 9 1HB SER 9 8.878 9.475 0.149
64 2HB SER 9 2HB SER 9 8.931 8.920 -1.526
65 HG SER 9 HG SER 9 6.854 9.204 -1.584
66 H GLY 10 H GLY 10 6.473 7.339 0.902
67 1HA GLY 10 1HA GLY 10 7.342 6.422 3.558
68 2HA GLY 10 2HA GLY 10 6.261 7.807 3.419
69 H SER 11 H SER 11 5.489 5.519 4.815
70 HA SER 11 HA SER 11 4.185 3.578 3.266
71 1HB SER 11 1HB SER 11 3.505 4.453 6.084
72 2HB SER 11 2HB SER 11 3.071 2.921 5.328
73 HG SER 11 HG SER 11 5.480 3.758 6.403
74 H SER 12 H SER 12 3.342 6.801 3.957
75 HA SER 12 HA SER 12 0.537 6.694 3.967
76 1HB SER 12 1HB SER 12 0.777 9.150 3.337
77 2HB SER 12 2HB SER 12 1.607 8.638 4.808
78 HG SER 12 HG SER 12 2.640 9.517 2.397
79 H LYS 13 H LYS 13 2.739 6.225 1.419
80 HA LYS 13 HA LYS 13 1.361 7.353 -0.748
81 1HB LYS 13 1HB LYS 13 3.672 5.771 -0.358
82 2HB LYS 13 2HB LYS 13 2.682 4.935 -1.548
83 1HG LYS 13 1HG LYS 13 3.635 7.789 -1.706
84 2HG LYS 13 2HG LYS 13 4.257 6.422 -2.632
85 1HD LYS 13 1HD LYS 13 2.072 6.152 -3.701
86 2HD LYS 13 2HD LYS 13 1.444 7.513 -2.767
87 1HE LYS 13 1HE LYS 13 3.132 8.972 -3.817
88 2HE LYS 13 2HE LYS 13 3.682 7.608 -4.788
89 1HZ LYS 13 1HZ LYS 13 1.417 7.480 -5.732
90 2HZ LYS 13 2HZ LYS 13 2.200 8.944 -6.077
91 3HZ LYS 13 3HZ LYS 13 1.002 8.891 -4.881
92 H CYS 14 H CYS 14 1.325 3.988 0.439
93 HA CYS 14 HA CYS 14 -0.664 3.288 -1.520
94 1HB CYS 14 1HB CYS 14 0.903 1.783 0.512
95 2HB CYS 14 2HB CYS 14 -0.565 1.064 -0.148
96 H VAL 15 H VAL 15 -0.596 3.732 1.984
97 HA VAL 15 HA VAL 15 -2.895 2.379 2.667
98 HB VAL 15 HB VAL 15 -1.472 3.137 4.388
99 1HG1 VAL 15 1HG1 VAL 15 -0.605 5.073 3.188
100 2HG1 VAL 15 2HG1 VAL 15 -2.090 5.954 3.547
101 3HG1 VAL 15 3HG1 VAL 15 -1.022 5.458 4.862
102 1HG2 VAL 15 1HG2 VAL 15 -3.815 3.014 5.047
103 2HG2 VAL 15 2HG2 VAL 15 -2.991 4.306 5.922
104 3HG2 VAL 15 3HG2 VAL 15 -4.052 4.695 4.569
105 H LYS 16 H LYS 16 -2.647 5.609 1.284
106 HA LYS 16 HA LYS 16 -5.481 6.087 1.627
107 1HB LYS 16 1HB LYS 16 -3.305 7.750 1.375
108 2HB LYS 16 2HB LYS 16 -4.025 7.841 -0.226
109 1HG LYS 16 1HG LYS 16 -5.392 8.450 2.390
110 2HG LYS 16 2HG LYS 16 -4.859 9.618 1.183
111 1HD LYS 16 1HD LYS 16 -6.946 7.486 0.727
112 2HD LYS 16 2HD LYS 16 -7.291 9.176 1.094
113 1HE LYS 16 1HE LYS 16 -6.129 9.852 -0.957
114 2HE LYS 16 2HE LYS 16 -5.793 8.160 -1.322
115 1HZ LYS 16 1HZ LYS 16 -8.459 9.466 -1.200
116 2HZ LYS 16 2HZ LYS 16 -8.233 7.794 -1.350
117 3HZ LYS 16 3HZ LYS 16 -7.686 8.837 -2.572
118 H ILE 17 H ILE 17 -3.242 5.364 -1.048
119 HA ILE 17 HA ILE 17 -5.310 5.724 -3.010
120 HB ILE 17 HB ILE 17 -2.893 6.221 -3.427
121 1HG1 ILE 17 1HG1 ILE 17 -3.024 5.664 -5.745
122 2HG1 ILE 17 2HG1 ILE 17 -4.045 4.265 -5.413
123 1HG2 ILE 17 1HG2 ILE 17 -1.439 4.380 -4.157
124 2HG2 ILE 17 2HG2 ILE 17 -1.877 4.256 -2.453
125 3HG2 ILE 17 3HG2 ILE 17 -2.673 3.228 -3.645
126 1HD1 ILE 17 1HD1 ILE 17 -5.846 5.751 -4.702
127 2HD1 ILE 17 2HD1 ILE 17 -4.824 7.148 -5.056
128 3HD1 ILE 17 3HD1 ILE 17 -5.336 6.079 -6.363
129 H CYS 18 H CYS 18 -3.904 3.019 -1.340
130 HA CYS 18 HA CYS 18 -4.891 0.978 -3.012
131 1HB CYS 18 1HB CYS 18 -3.556 1.172 -0.478
132 2HB CYS 18 2HB CYS 18 -4.845 -0.016 -0.367
133 H ILE 19 H ILE 19 -6.495 3.111 -0.891
134 HA ILE 19 HA ILE 19 -8.848 1.454 -0.601
135 HB ILE 19 HB ILE 19 -8.572 4.402 -0.005
136 1HG1 ILE 19 1HG1 ILE 19 -8.226 2.073 1.897
137 2HG1 ILE 19 2HG1 ILE 19 -6.907 3.044 1.247
138 1HG2 ILE 19 1HG2 ILE 19 -10.539 2.345 1.003
139 2HG2 ILE 19 2HG2 ILE 19 -10.483 4.044 1.478
140 3HG2 ILE 19 3HG2 ILE 19 -10.877 3.606 -0.186
141 1HD1 ILE 19 1HD1 ILE 19 -7.822 5.018 2.342
142 2HD1 ILE 19 2HD1 ILE 19 -9.140 4.044 2.999
143 3HD1 ILE 19 3HD1 ILE 19 -7.478 3.732 3.501
144 H ASP 20 H ASP 20 -7.567 3.776 -2.785
145 HA ASP 20 HA ASP 20 -10.144 4.535 -3.888
146 1HB ASP 20 1HB ASP 20 -8.145 6.092 -3.628
147 2HB ASP 20 2HB ASP 20 -7.396 5.204 -4.946
148 H ARG 21 H ARG 21 -7.436 2.478 -4.582
149 HA ARG 21 HA ARG 21 -8.384 1.816 -7.243
150 1HB ARG 21 1HB ARG 21 -6.083 0.562 -5.753
151 2HB ARG 21 2HB ARG 21 -6.351 0.593 -7.491
152 1HG ARG 21 1HG ARG 21 -5.946 2.968 -7.557
153 2HG ARG 21 2HG ARG 21 -5.801 3.019 -5.798
154 1HD ARG 21 1HD ARG 21 -3.600 3.004 -6.561
155 2HD ARG 21 2HD ARG 21 -3.905 1.336 -6.085
156 HE ARG 21 HE ARG 21 -4.418 1.883 -8.875
157 1HH1 ARG 21 2HH1 ARG 21 -2.004 0.875 -6.528
158 2HH1 ARG 21 1HH1 ARG 21 -0.993 0.101 -7.713
159 1HH2 ARG 21 2HH2 ARG 21 -3.106 0.856 -10.415
160 2HH2 ARG 21 1HH2 ARG 21 -1.622 0.096 -9.927
161 H TYR 22 H TYR 22 -8.039 0.270 -4.065
162 HA TYR 22 HA TYR 22 -9.710 -1.935 -5.053
163 1HB TYR 22 1HB TYR 22 -7.623 -2.222 -2.886
164 2HB TYR 22 2HB TYR 22 -8.464 -3.499 -3.758
165 HD1 TYR 22 1HD TYR 22 -5.469 -1.683 -3.507
166 HD2 TYR 22 2HD TYR 22 -8.038 -3.518 -6.360
167 HE1 TYR 22 1HE TYR 22 -3.605 -1.798 -5.103
168 HE2 TYR 22 2HE TYR 22 -6.185 -3.637 -7.959
169 HH TYR 22 HH TYR 22 -2.964 -3.199 -7.093
170 H ASN 23 H ASN 23 -8.869 -2.353 -1.909
171 HA ASN 23 HA ASN 23 -10.533 -0.493 -0.566
172 1HB ASN 23 1HB ASN 23 -12.328 -1.935 -1.440
173 2HB ASN 23 2HB ASN 23 -11.558 -3.341 -0.710
174 1HD2 ASN 23 1HD2 ASN 23 -13.454 -3.737 0.493
175 2HD2 ASN 23 2HD2 ASN 23 -13.831 -2.796 1.897
176 H THR 24 H THR 24 -9.001 -0.134 0.949
177 HA THR 24 HA THR 24 -8.145 -2.443 2.558
178 HB THR 24 HB THR 24 -5.868 -1.465 2.720
179 HG1 THR 24 1HG THR 24 -6.905 0.672 1.797
180 1HG2 THR 24 1HG2 THR 24 -6.854 -2.139 -0.050
181 2HG2 THR 24 2HG2 THR 24 -6.170 -3.245 1.140
182 3HG2 THR 24 3HG2 THR 24 -5.152 -2.020 0.388
183 H ARG 25 H ARG 25 -7.335 -1.825 4.722
184 HA ARG 25 HA ARG 25 -8.555 0.681 5.662
185 1HB ARG 25 1HB ARG 25 -7.369 -1.344 7.528
186 2HB ARG 25 2HB ARG 25 -8.672 -0.205 7.815
187 1HG ARG 25 1HG ARG 25 -9.890 -2.105 7.722
188 2HG ARG 25 2HG ARG 25 -9.871 -1.733 5.995
189 1HD ARG 25 1HD ARG 25 -7.951 -3.205 5.691
190 2HD ARG 25 2HD ARG 25 -7.940 -3.559 7.418
191 HE ARG 25 HE ARG 25 -10.434 -4.167 6.096
192 1HH1 ARG 25 2HH1 ARG 25 -7.272 -5.329 7.074
193 2HH1 ARG 25 1HH1 ARG 25 -7.688 -7.000 6.875
194 1HH2 ARG 25 2HH2 ARG 25 -10.983 -6.379 5.859
195 2HH2 ARG 25 1HH2 ARG 25 -9.798 -7.603 6.201
196 H GLY 26 H GLY 26 -5.560 -1.152 5.557
197 1HA GLY 26 1HA GLY 26 -4.060 1.305 6.028
198 2HA GLY 26 2HA GLY 26 -3.797 -0.032 7.138
199 H ALA 27 H ALA 27 -1.971 1.280 5.278
200 HA ALA 27 HA ALA 27 -0.932 -1.180 4.103
201 1HB ALA 27 1HB ALA 27 -1.042 1.434 2.598
202 2HB ALA 27 2HB ALA 27 -0.319 -0.071 2.033
203 3HB ALA 27 3HB ALA 27 -2.064 0.033 2.273
204 H LYS 28 H LYS 28 1.273 -1.351 4.311
205 HA LYS 28 HA LYS 28 2.621 0.956 5.558
206 1HB LYS 28 1HB LYS 28 2.039 -0.769 7.252
207 2HB LYS 28 2HB LYS 28 2.995 -1.937 6.349
208 1HG LYS 28 1HG LYS 28 4.948 -0.329 6.652
209 2HG LYS 28 2HG LYS 28 3.941 0.483 7.851
210 1HD LYS 28 1HD LYS 28 3.744 -1.625 9.094
211 2HD LYS 28 2HD LYS 28 4.775 -2.415 7.901
212 1HE LYS 28 1HE LYS 28 6.166 -1.860 9.737
213 2HE LYS 28 2HE LYS 28 6.539 -0.713 8.450
214 1HZ LYS 28 1HZ LYS 28 6.288 0.245 10.741
215 2HZ LYS 28 2HZ LYS 28 4.630 -0.098 10.631
216 3HZ LYS 28 3HZ LYS 28 5.349 0.979 9.537
217 H CYS 29 H CYS 29 4.631 1.398 4.874
218 HA CYS 29 HA CYS 29 5.736 -0.065 2.655
219 1HB CYS 29 1HB CYS 29 6.560 2.365 4.223
220 2HB CYS 29 2HB CYS 29 7.615 1.658 3.016
221 H ILE 30 H ILE 30 6.722 -1.946 3.030
222 HA ILE 30 HA ILE 30 8.157 -2.236 5.589
223 HB ILE 30 HB ILE 30 6.121 -3.533 5.631
224 1HG1 ILE 30 1HG1 ILE 30 7.069 -5.818 5.989
225 2HG1 ILE 30 2HG1 ILE 30 8.585 -5.250 5.294
226 1HG2 ILE 30 1HG2 ILE 30 5.685 -5.355 4.066
227 2HG2 ILE 30 2HG2 ILE 30 5.748 -3.791 3.250
228 3HG2 ILE 30 3HG2 ILE 30 7.116 -4.899 3.137
229 1HD1 ILE 30 1HD1 ILE 30 8.692 -5.233 7.708
230 2HD1 ILE 30 2HD1 ILE 30 8.763 -3.585 7.080
231 3HD1 ILE 30 3HD1 ILE 30 7.267 -4.196 7.783
232 H ASN 31 H ASN 31 8.090 -3.342 2.206
233 HA ASN 31 HA ASN 31 10.811 -4.385 2.504
234 1HB ASN 31 1HB ASN 31 9.064 -5.828 1.477
235 2HB ASN 31 2HB ASN 31 8.860 -4.642 0.195
236 1HD2 ASN 31 1HD2 ASN 31 10.984 -7.054 1.566
237 2HD2 ASN 31 2HD2 ASN 31 11.998 -7.228 0.172
238 H GLY 32 H GLY 32 9.913 -1.503 2.311
239 1HA GLY 32 1HA GLY 32 11.098 0.346 1.429
240 2HA GLY 32 2HA GLY 32 11.693 -0.684 0.128
241 H ARG 33 H ARG 33 8.835 -1.731 0.091
242 HA ARG 33 HA ARG 33 7.542 0.512 -1.288
243 1HB ARG 33 1HB ARG 33 6.545 -1.025 -2.850
244 2HB ARG 33 2HB ARG 33 8.282 -1.277 -2.855
245 1HG ARG 33 1HG ARG 33 7.983 -3.246 -1.416
246 2HG ARG 33 2HG ARG 33 6.234 -3.004 -1.485
247 1HD ARG 33 1HD ARG 33 6.377 -3.172 -3.971
248 2HD ARG 33 2HD ARG 33 8.083 -3.592 -3.796
249 HE ARG 33 HE ARG 33 5.978 -5.225 -2.532
250 1HH1 ARG 33 2HH1 ARG 33 8.667 -4.918 -4.768
251 2HH1 ARG 33 1HH1 ARG 33 8.816 -6.636 -5.009
252 1HH2 ARG 33 2HH2 ARG 33 6.165 -7.451 -2.857
253 2HH2 ARG 33 1HH2 ARG 33 7.399 -8.077 -3.912
254 H CYS 34 H CYS 34 5.074 0.134 -1.336
255 HA CYS 34 HA CYS 34 4.421 -0.361 1.468
256 1HB CYS 34 1HB CYS 34 2.296 0.943 0.784
257 2HB CYS 34 2HB CYS 34 3.814 1.816 0.936
258 H THR 35 H THR 35 3.452 -2.139 2.022
259 HA THR 35 HA THR 35 1.852 -3.616 0.060
260 HB THR 35 HB THR 35 2.736 -4.517 2.815
261 HG1 THR 35 1HG THR 35 3.944 -5.076 0.284
262 1HG2 THR 35 1HG2 THR 35 0.842 -5.765 1.886
263 2HG2 THR 35 2HG2 THR 35 2.293 -6.765 1.934
264 3HG2 THR 35 3HG2 THR 35 1.757 -6.065 0.408
265 H CYS 36 H CYS 36 -0.307 -3.784 0.269
266 HA CYS 36 HA CYS 36 -1.553 -2.232 2.418
267 1HB CYS 36 1HB CYS 36 -2.812 -3.290 -0.117
268 2HB CYS 36 2HB CYS 36 -3.457 -2.057 0.966
269 H TYR 37 H TYR 37 -2.959 -3.129 3.870
270 HA TYR 37 HA TYR 37 -3.161 -6.066 3.706
271 1HB TYR 37 1HB TYR 37 -3.089 -4.363 6.204
272 2HB TYR 37 2HB TYR 37 -3.103 -6.123 6.137
273 HD1 TYR 37 1HD TYR 37 -1.061 -3.188 6.174
274 HD2 TYR 37 2HD TYR 37 -1.107 -7.280 4.996
275 HE1 TYR 37 1HE TYR 37 1.396 -3.181 6.072
276 HE2 TYR 37 2HE TYR 37 1.354 -7.279 4.900
277 HH TYR 37 HH TYR 37 3.246 -4.806 6.211
278 HA PRO 38 HA PRO 38 -7.552 -5.032 3.982
279 1HB PRO 38 1HB PRO 38 -8.192 -6.142 1.557
280 2HB PRO 38 2HB PRO 38 -7.657 -4.470 1.757
281 1HG PRO 38 1HG PRO 38 -6.278 -6.610 0.424
282 2HG PRO 38 2HG PRO 38 -5.733 -4.938 0.650
283 1HD PRO 38 1HD PRO 38 -5.096 -7.368 2.247
284 2HD PRO 38 2HD PRO 38 -4.119 -5.908 1.958
Start of MODEL 3
1 HN PCA 1 H PCA 1 -1.940 -11.674 -0.172
2 HA PCA 1 HA PCA 1 -2.947 -9.645 0.916
3 1HB PCA 1 1HB PCA 1 -1.406 -9.056 2.496
4 2HB PCA 1 2HB PCA 1 -0.629 -8.097 1.223
5 1HG PCA 1 1HG PCA 1 0.457 -10.281 2.565
6 2HG PCA 1 2HG PCA 1 1.071 -9.545 1.066
7 H ILE 2 H ILE 2 -2.499 -7.170 0.229
8 HA ILE 2 HA ILE 2 -2.459 -7.198 -2.687
9 HB ILE 2 HB ILE 2 -3.250 -5.068 -0.696
10 1HG1 ILE 2 1HG1 ILE 2 -4.882 -6.647 -2.697
11 2HG1 ILE 2 2HG1 ILE 2 -4.819 -6.953 -0.965
12 1HG2 ILE 2 1HG2 ILE 2 -2.262 -3.966 -2.605
13 2HG2 ILE 2 2HG2 ILE 2 -3.260 -4.915 -3.709
14 3HG2 ILE 2 3HG2 ILE 2 -4.009 -3.740 -2.627
15 1HD1 ILE 2 1HD1 ILE 2 -5.775 -4.735 -0.555
16 2HD1 ILE 2 2HD1 ILE 2 -5.876 -4.471 -2.296
17 3HD1 ILE 2 3HD1 ILE 2 -6.829 -5.751 -1.541
18 H ASP 3 H ASP 3 -0.375 -7.166 -3.414
19 HA ASP 3 HA ASP 3 1.233 -4.884 -2.498
20 1HB ASP 3 1HB ASP 3 2.315 -6.922 -1.739
21 2HB ASP 3 2HB ASP 3 2.243 -7.599 -3.366
22 H THR 4 H THR 4 1.599 -3.442 -3.999
23 HA THR 4 HA THR 4 1.068 -4.158 -6.779
24 HB THR 4 HB THR 4 1.247 -1.587 -7.045
25 HG1 THR 4 1HG THR 4 1.870 -0.686 -5.219
26 1HG2 THR 4 1HG2 THR 4 -0.861 -2.810 -7.190
27 2HG2 THR 4 2HG2 THR 4 -1.087 -1.298 -6.311
28 3HG2 THR 4 3HG2 THR 4 -0.989 -2.822 -5.431
29 H ASN 5 H ASN 5 3.642 -4.191 -4.819
30 HA ASN 5 HA ASN 5 5.890 -3.968 -4.990
31 1HB ASN 5 1HB ASN 5 5.614 -5.706 -6.658
32 2HB ASN 5 2HB ASN 5 5.275 -4.510 -7.904
33 1HD2 ASN 5 1HD2 ASN 5 6.994 -5.297 -9.156
34 2HD2 ASN 5 2HD2 ASN 5 8.637 -4.939 -8.764
35 H VAL 6 H VAL 6 5.560 -1.743 -4.381
36 HA VAL 6 HA VAL 6 6.365 0.136 -6.482
37 HB VAL 6 HB VAL 6 4.127 0.501 -4.494
38 1HG1 VAL 6 1HG1 VAL 6 3.862 2.764 -5.373
39 2HG1 VAL 6 2HG1 VAL 6 5.464 2.558 -4.665
40 3HG1 VAL 6 3HG1 VAL 6 5.265 2.536 -6.419
41 1HG2 VAL 6 1HG2 VAL 6 4.154 0.521 -7.508
42 2HG2 VAL 6 2HG2 VAL 6 3.467 -0.728 -6.471
43 3HG2 VAL 6 3HG2 VAL 6 2.756 0.883 -6.498
44 H LYS 7 H LYS 7 8.334 0.723 -5.813
45 HA LYS 7 HA LYS 7 9.376 0.866 -3.285
46 1HB LYS 7 1HB LYS 7 9.890 2.438 -5.782
47 2HB LYS 7 2HB LYS 7 10.714 2.888 -4.294
48 1HG LYS 7 1HG LYS 7 10.788 0.104 -5.426
49 2HG LYS 7 2HG LYS 7 11.974 1.347 -5.831
50 1HD LYS 7 1HD LYS 7 11.348 0.444 -3.023
51 2HD LYS 7 2HD LYS 7 12.694 -0.168 -3.987
52 1HE LYS 7 1HE LYS 7 13.675 2.027 -4.108
53 2HE LYS 7 2HE LYS 7 12.272 2.739 -3.313
54 1HZ LYS 7 1HZ LYS 7 12.839 1.738 -1.284
55 2HZ LYS 7 2HZ LYS 7 14.297 2.347 -1.894
56 3HZ LYS 7 3HZ LYS 7 13.962 0.690 -2.001
57 H CYS 8 H CYS 8 8.839 1.943 -1.520
58 HA CYS 8 HA CYS 8 6.684 3.857 -1.719
59 1HB CYS 8 1HB CYS 8 6.455 3.612 0.652
60 2HB CYS 8 2HB CYS 8 6.724 2.008 -0.022
61 H SER 9 H SER 9 6.719 5.943 -1.122
62 HA SER 9 HA SER 9 9.301 7.176 -0.490
63 1HB SER 9 1HB SER 9 7.798 9.298 -0.918
64 2HB SER 9 2HB SER 9 8.373 8.344 -2.289
65 HG SER 9 HG SER 9 6.395 7.451 -2.534
66 H GLY 10 H GLY 10 7.754 5.584 1.354
67 1HA GLY 10 1HA GLY 10 7.808 6.470 3.767
68 2HA GLY 10 2HA GLY 10 6.545 7.542 3.168
69 H SER 11 H SER 11 4.543 6.867 3.442
70 HA SER 11 HA SER 11 3.721 4.163 2.962
71 1HB SER 11 1HB SER 11 2.810 3.778 5.263
72 2HB SER 11 2HB SER 11 4.572 3.796 5.201
73 HG SER 11 HG SER 11 4.572 5.452 6.490
74 H SER 12 H SER 12 3.056 7.427 4.024
75 HA SER 12 HA SER 12 0.284 7.371 4.112
76 1HB SER 12 1HB SER 12 0.533 9.860 3.542
77 2HB SER 12 2HB SER 12 1.366 9.277 4.984
78 HG SER 12 HG SER 12 2.457 10.585 3.071
79 H LYS 13 H LYS 13 2.345 7.044 1.434
80 HA LYS 13 HA LYS 13 0.615 7.955 -0.621
81 1HB LYS 13 1HB LYS 13 3.155 7.344 -0.687
82 2HB LYS 13 2HB LYS 13 2.582 5.707 -0.952
83 1HG LYS 13 1HG LYS 13 1.869 8.044 -2.705
84 2HG LYS 13 2HG LYS 13 3.200 6.934 -3.018
85 1HD LYS 13 1HD LYS 13 1.507 5.069 -2.991
86 2HD LYS 13 2HD LYS 13 0.254 6.308 -2.949
87 1HE LYS 13 1HE LYS 13 2.323 5.916 -5.106
88 2HE LYS 13 2HE LYS 13 0.607 5.537 -5.217
89 1HZ LYS 13 1HZ LYS 13 1.828 8.231 -4.954
90 2HZ LYS 13 2HZ LYS 13 0.160 7.933 -4.854
91 3HZ LYS 13 3HZ LYS 13 0.996 7.605 -6.296
92 H CYS 14 H CYS 14 1.414 4.667 0.488
93 HA CYS 14 HA CYS 14 -0.510 3.412 -1.130
94 1HB CYS 14 1HB CYS 14 -0.107 1.545 0.738
95 2HB CYS 14 2HB CYS 14 1.048 1.876 -0.549
96 H VAL 15 H VAL 15 -0.574 4.234 2.325
97 HA VAL 15 HA VAL 15 -2.875 2.858 3.003
98 HB VAL 15 HB VAL 15 -1.453 3.778 4.699
99 1HG1 VAL 15 1HG1 VAL 15 -0.718 5.768 3.559
100 2HG1 VAL 15 2HG1 VAL 15 -2.327 6.475 3.699
101 3HG1 VAL 15 3HG1 VAL 15 -1.364 6.186 5.148
102 1HG2 VAL 15 1HG2 VAL 15 -3.791 3.435 5.315
103 2HG2 VAL 15 2HG2 VAL 15 -3.093 4.796 6.191
104 3HG2 VAL 15 3HG2 VAL 15 -4.168 5.086 4.824
105 H LYS 16 H LYS 16 -2.598 5.992 1.429
106 HA LYS 16 HA LYS 16 -5.428 6.506 1.752
107 1HB LYS 16 1HB LYS 16 -3.789 8.361 1.850
108 2HB LYS 16 2HB LYS 16 -3.375 8.058 0.167
109 1HG LYS 16 1HG LYS 16 -5.653 8.602 -0.507
110 2HG LYS 16 2HG LYS 16 -6.098 8.872 1.177
111 1HD LYS 16 1HD LYS 16 -5.693 10.994 0.104
112 2HD LYS 16 2HD LYS 16 -4.422 10.687 1.290
113 1HE LYS 16 1HE LYS 16 -2.931 9.947 -0.497
114 2HE LYS 16 2HE LYS 16 -4.205 10.229 -1.684
115 1HZ LYS 16 1HZ LYS 16 -2.971 12.308 0.045
116 2HZ LYS 16 2HZ LYS 16 -4.177 12.574 -1.119
117 3HZ LYS 16 3HZ LYS 16 -2.630 12.068 -1.600
118 H ILE 17 H ILE 17 -3.192 5.878 -0.965
119 HA ILE 17 HA ILE 17 -5.293 6.090 -2.886
120 HB ILE 17 HB ILE 17 -2.936 6.588 -3.433
121 1HG1 ILE 17 1HG1 ILE 17 -3.057 5.760 -5.683
122 2HG1 ILE 17 2HG1 ILE 17 -4.039 4.385 -5.181
123 1HG2 ILE 17 1HG2 ILE 17 -1.805 4.800 -2.278
124 2HG2 ILE 17 2HG2 ILE 17 -2.581 3.604 -3.319
125 3HG2 ILE 17 3HG2 ILE 17 -1.413 4.738 -3.995
126 1HD1 ILE 17 1HD1 ILE 17 -5.358 6.080 -6.334
127 2HD1 ILE 17 2HD1 ILE 17 -5.888 5.867 -4.662
128 3HD1 ILE 17 3HD1 ILE 17 -4.908 7.266 -5.112
129 H CYS 18 H CYS 18 -3.848 3.437 -1.151
130 HA CYS 18 HA CYS 18 -4.724 1.354 -2.819
131 1HB CYS 18 1HB CYS 18 -3.081 1.204 -0.887
132 2HB CYS 18 2HB CYS 18 -4.471 1.124 0.183
133 H ILE 19 H ILE 19 -6.402 3.333 -0.543
134 HA ILE 19 HA ILE 19 -8.730 1.738 -0.262
135 HB ILE 19 HB ILE 19 -8.518 4.747 -0.070
136 1HG1 ILE 19 1HG1 ILE 19 -8.294 2.668 2.120
137 2HG1 ILE 19 2HG1 ILE 19 -6.950 3.591 1.453
138 1HG2 ILE 19 1HG2 ILE 19 -10.518 4.567 1.347
139 2HG2 ILE 19 2HG2 ILE 19 -10.812 3.983 -0.292
140 3HG2 ILE 19 3HG2 ILE 19 -10.577 2.833 1.025
141 1HD1 ILE 19 1HD1 ILE 19 -7.692 4.510 3.579
142 2HD1 ILE 19 2HD1 ILE 19 -7.956 5.655 2.263
143 3HD1 ILE 19 3HD1 ILE 19 -9.313 4.741 2.920
144 H ASP 20 H ASP 20 -7.698 4.169 -2.597
145 HA ASP 20 HA ASP 20 -10.312 4.426 -3.789
146 1HB ASP 20 1HB ASP 20 -7.583 5.488 -4.497
147 2HB ASP 20 2HB ASP 20 -8.957 5.697 -5.575
148 H ARG 21 H ARG 21 -7.788 2.234 -4.017
149 HA ARG 21 HA ARG 21 -8.382 1.520 -6.790
150 1HB ARG 21 1HB ARG 21 -6.266 0.346 -4.994
151 2HB ARG 21 2HB ARG 21 -6.374 0.221 -6.746
152 1HG ARG 21 1HG ARG 21 -5.973 2.611 -6.948
153 2HG ARG 21 2HG ARG 21 -5.878 2.744 -5.188
154 1HD ARG 21 1HD ARG 21 -4.025 1.240 -7.021
155 2HD ARG 21 2HD ARG 21 -3.668 2.673 -6.057
156 HE ARG 21 HE ARG 21 -4.499 0.479 -4.438
157 1HH1 ARG 21 2HH1 ARG 21 -1.810 1.867 -6.171
158 2HH1 ARG 21 1HH1 ARG 21 -0.597 1.063 -5.213
159 1HH2 ARG 21 2HH2 ARG 21 -2.910 -0.625 -3.168
160 2HH2 ARG 21 1HH2 ARG 21 -1.231 -0.376 -3.519
161 H TYR 22 H TYR 22 -8.245 0.082 -3.545
162 HA TYR 22 HA TYR 22 -9.785 -2.182 -4.606
163 1HB TYR 22 1HB TYR 22 -7.866 -2.168 -2.260
164 2HB TYR 22 2HB TYR 22 -8.746 -3.568 -2.873
165 HD1 TYR 22 1HD TYR 22 -5.893 -1.360 -3.375
166 HD2 TYR 22 2HD TYR 22 -8.167 -4.537 -5.054
167 HE1 TYR 22 1HE TYR 22 -4.075 -1.801 -4.979
168 HE2 TYR 22 2HE TYR 22 -6.356 -4.999 -6.650
169 HH TYR 22 HH TYR 22 -4.478 -3.869 -7.676
170 H ASN 23 H ASN 23 -9.373 -2.160 -1.250
171 HA ASN 23 HA ASN 23 -11.519 -0.363 -0.617
172 1HB ASN 23 1HB ASN 23 -12.630 -2.478 -1.532
173 2HB ASN 23 2HB ASN 23 -12.054 -3.281 -0.075
174 1HD2 ASN 23 1HD2 ASN 23 -14.151 -3.692 0.630
175 2HD2 ASN 23 2HD2 ASN 23 -15.184 -2.437 1.241
176 H THR 24 H THR 24 -8.681 -1.275 0.140
177 HA THR 24 HA THR 24 -9.179 -1.873 2.970
178 HB THR 24 HB THR 24 -7.787 -3.553 1.945
179 HG1 THR 24 1HG THR 24 -6.299 -3.545 3.519
180 1HG2 THR 24 1HG2 THR 24 -6.914 -2.211 0.080
181 2HG2 THR 24 2HG2 THR 24 -5.626 -3.046 0.949
182 3HG2 THR 24 3HG2 THR 24 -5.892 -1.322 1.211
183 H ARG 25 H ARG 25 -8.372 -0.624 4.554
184 HA ARG 25 HA ARG 25 -7.433 2.028 3.738
185 1HB ARG 25 1HB ARG 25 -8.373 2.896 5.704
186 2HB ARG 25 2HB ARG 25 -9.535 1.689 5.177
187 1HG ARG 25 1HG ARG 25 -7.472 1.317 7.343
188 2HG ARG 25 2HG ARG 25 -9.189 1.630 7.590
189 1HD ARG 25 1HD ARG 25 -9.779 -0.481 6.628
190 2HD ARG 25 2HD ARG 25 -8.113 -0.773 6.114
191 HE ARG 25 HE ARG 25 -8.114 -0.409 8.890
192 1HH1 ARG 25 2HH1 ARG 25 -9.365 -2.706 6.542
193 2HH1 ARG 25 1HH1 ARG 25 -9.224 -4.062 7.629
194 1HH2 ARG 25 2HH2 ARG 25 -7.938 -2.199 10.303
195 2HH2 ARG 25 1HH2 ARG 25 -8.419 -3.777 9.747
196 H GLY 26 H GLY 26 -6.139 -0.801 4.706
197 1HA GLY 26 1HA GLY 26 -4.120 0.486 6.428
198 2HA GLY 26 2HA GLY 26 -4.616 -1.192 6.593
199 H ALA 27 H ALA 27 -2.615 1.041 4.931
200 HA ALA 27 HA ALA 27 -1.274 -1.224 3.630
201 1HB ALA 27 1HB ALA 27 -2.541 -0.025 1.919
202 2HB ALA 27 2HB ALA 27 -1.752 1.485 2.380
203 3HB ALA 27 3HB ALA 27 -0.805 0.175 1.672
204 H LYS 28 H LYS 28 0.862 -1.278 3.931
205 HA LYS 28 HA LYS 28 2.176 1.087 5.080
206 1HB LYS 28 1HB LYS 28 1.533 -0.465 6.918
207 2HB LYS 28 2HB LYS 28 2.447 -1.742 6.128
208 1HG LYS 28 1HG LYS 28 4.429 -0.068 6.306
209 2HG LYS 28 2HG LYS 28 3.433 0.686 7.552
210 1HD LYS 28 1HD LYS 28 4.980 -0.910 8.537
211 2HD LYS 28 2HD LYS 28 3.315 -1.460 8.738
212 1HE LYS 28 1HE LYS 28 3.579 -2.987 6.864
213 2HE LYS 28 2HE LYS 28 5.217 -2.393 6.589
214 1HZ LYS 28 1HZ LYS 28 5.929 -3.293 8.655
215 2HZ LYS 28 2HZ LYS 28 5.072 -4.526 7.859
216 3HZ LYS 28 3HZ LYS 28 4.342 -3.666 9.127
217 H CYS 29 H CYS 29 4.373 1.256 4.601
218 HA CYS 29 HA CYS 29 5.353 -0.439 2.463
219 1HB CYS 29 1HB CYS 29 5.843 1.891 2.221
220 2HB CYS 29 2HB CYS 29 6.472 1.990 3.861
221 H ILE 30 H ILE 30 6.678 -2.146 2.774
222 HA ILE 30 HA ILE 30 7.656 -2.498 5.522
223 HB ILE 30 HB ILE 30 6.005 -4.135 5.186
224 1HG1 ILE 30 1HG1 ILE 30 7.291 -6.275 5.261
225 2HG1 ILE 30 2HG1 ILE 30 8.728 -5.382 4.780
226 1HG2 ILE 30 1HG2 ILE 30 5.821 -5.627 3.338
227 2HG2 ILE 30 2HG2 ILE 30 5.938 -3.987 2.703
228 3HG2 ILE 30 3HG2 ILE 30 7.338 -5.060 2.650
229 1HD1 ILE 30 1HD1 ILE 30 8.677 -5.777 7.178
230 2HD1 ILE 30 2HD1 ILE 30 8.596 -4.054 6.810
231 3HD1 ILE 30 3HD1 ILE 30 7.139 -4.921 7.292
232 H ASN 31 H ASN 31 8.520 -3.975 2.357
233 HA ASN 31 HA ASN 31 11.311 -3.849 3.241
234 1HB ASN 31 1HB ASN 31 10.126 -6.001 2.374
235 2HB ASN 31 2HB ASN 31 10.352 -5.291 0.779
236 1HD2 ASN 31 1HD2 ASN 31 11.479 -7.723 1.812
237 2HD2 ASN 31 2HD2 ASN 31 13.198 -7.543 1.766
238 H GLY 32 H GLY 32 10.150 -1.447 2.487
239 1HA GLY 32 1HA GLY 32 11.043 0.371 1.324
240 2HA GLY 32 2HA GLY 32 11.843 -0.742 0.224
241 H ARG 33 H ARG 33 8.715 -1.743 0.580
242 HA ARG 33 HA ARG 33 7.709 0.002 -1.533
243 1HB ARG 33 1HB ARG 33 6.918 -1.760 -2.865
244 2HB ARG 33 2HB ARG 33 8.578 -2.177 -2.466
245 1HG ARG 33 1HG ARG 33 7.878 -3.781 -0.869
246 2HG ARG 33 2HG ARG 33 6.200 -3.234 -0.971
247 1HD ARG 33 1HD ARG 33 6.305 -5.176 -2.263
248 2HD ARG 33 2HD ARG 33 6.296 -3.844 -3.419
249 HE ARG 33 HE ARG 33 8.922 -4.286 -3.115
250 1HH1 ARG 33 2HH1 ARG 33 6.256 -6.485 -3.720
251 2HH1 ARG 33 1HH1 ARG 33 7.247 -7.640 -4.572
252 1HH2 ARG 33 2HH2 ARG 33 10.216 -5.809 -4.229
253 2HH2 ARG 33 1HH2 ARG 33 9.487 -7.250 -4.875
254 H CYS 34 H CYS 34 5.367 -0.000 -1.716
255 HA CYS 34 HA CYS 34 4.176 -0.184 0.930
256 1HB CYS 34 1HB CYS 34 3.567 1.280 -1.574
257 2HB CYS 34 2HB CYS 34 2.192 0.848 -0.563
258 H THR 35 H THR 35 3.052 -1.853 1.562
259 HA THR 35 HA THR 35 1.575 -3.441 -0.430
260 HB THR 35 HB THR 35 2.957 -4.441 2.074
261 HG1 THR 35 1HG THR 35 3.609 -4.509 -0.687
262 1HG2 THR 35 1HG2 THR 35 2.350 -6.687 1.259
263 2HG2 THR 35 2HG2 THR 35 1.419 -5.951 -0.047
264 3HG2 THR 35 3HG2 THR 35 0.927 -5.713 1.629
265 H CYS 36 H CYS 36 -0.514 -3.991 0.109
266 HA CYS 36 HA CYS 36 -1.636 -2.551 2.405
267 1HB CYS 36 1HB CYS 36 -3.102 -3.803 0.077
268 2HB CYS 36 2HB CYS 36 -3.748 -2.663 1.253
269 H TYR 37 H TYR 37 -2.563 -3.574 4.065
270 HA TYR 37 HA TYR 37 -2.762 -6.514 3.919
271 1HB TYR 37 1HB TYR 37 -2.149 -4.910 6.408
272 2HB TYR 37 2HB TYR 37 -2.086 -6.658 6.220
273 HD1 TYR 37 1HD TYR 37 -0.360 -3.495 5.620
274 HD2 TYR 37 2HD TYR 37 -0.195 -7.715 5.087
275 HE1 TYR 37 1HE TYR 37 2.044 -3.336 5.135
276 HE2 TYR 37 2HE TYR 37 2.208 -7.565 4.590
277 HH TYR 37 HH TYR 37 3.829 -5.938 3.818
278 HA PRO 38 HA PRO 38 -6.971 -4.923 4.994
279 1HB PRO 38 1HB PRO 38 -7.841 -7.123 3.256
280 2HB PRO 38 2HB PRO 38 -8.229 -5.404 3.157
281 1HG PRO 38 1HG PRO 38 -6.638 -6.559 1.343
282 2HG PRO 38 2HG PRO 38 -6.326 -4.904 1.925
283 1HD PRO 38 1HD PRO 38 -5.034 -7.483 2.803
284 2HD PRO 38 2HD PRO 38 -4.268 -5.941 2.344
Start of MODEL 4
1 HN PCA 1 H PCA 1 -2.511 -11.423 -0.092
2 HA PCA 1 HA PCA 1 -3.385 -9.267 0.998
3 1HB PCA 1 1HB PCA 1 -1.875 -8.662 2.583
4 2HB PCA 1 2HB PCA 1 -0.816 -8.078 1.288
5 1HG PCA 1 1HG PCA 1 -0.396 -10.269 3.005
6 2HG PCA 1 2HG PCA 1 0.568 -9.808 1.585
7 H ILE 2 H ILE 2 -2.870 -6.960 0.170
8 HA ILE 2 HA ILE 2 -2.568 -7.148 -2.713
9 HB ILE 2 HB ILE 2 -3.372 -4.825 -0.950
10 1HG1 ILE 2 1HG1 ILE 2 -4.988 -6.512 -2.869
11 2HG1 ILE 2 2HG1 ILE 2 -5.001 -6.687 -1.117
12 1HG2 ILE 2 1HG2 ILE 2 -4.008 -3.685 -3.044
13 2HG2 ILE 2 2HG2 ILE 2 -2.270 -3.960 -2.923
14 3HG2 ILE 2 3HG2 ILE 2 -3.259 -4.992 -3.961
15 1HD1 ILE 2 1HD1 ILE 2 -5.910 -4.282 -2.679
16 2HD1 ILE 2 2HD1 ILE 2 -6.937 -5.458 -1.858
17 3HD1 ILE 2 3HD1 ILE 2 -5.879 -4.405 -0.920
18 H ASP 3 H ASP 3 -0.319 -7.604 -2.754
19 HA ASP 3 HA ASP 3 1.457 -5.452 -1.921
20 1HB ASP 3 1HB ASP 3 2.201 -7.755 -1.538
21 2HB ASP 3 2HB ASP 3 2.067 -8.097 -3.262
22 H THR 4 H THR 4 1.510 -3.763 -3.195
23 HA THR 4 HA THR 4 0.609 -3.884 -5.903
24 HB THR 4 HB THR 4 1.209 -1.416 -5.889
25 HG1 THR 4 1HG THR 4 1.477 -1.619 -3.098
26 1HG2 THR 4 1HG2 THR 4 -0.588 -2.436 -3.684
27 2HG2 THR 4 2HG2 THR 4 -1.053 -2.194 -5.370
28 3HG2 THR 4 3HG2 THR 4 -0.623 -0.807 -4.364
29 H ASN 5 H ASN 5 3.659 -3.965 -4.316
30 HA ASN 5 HA ASN 5 5.805 -4.162 -5.023
31 1HB ASN 5 1HB ASN 5 4.784 -5.775 -6.718
32 2HB ASN 5 2HB ASN 5 4.756 -4.428 -7.853
33 1HD2 ASN 5 1HD2 ASN 5 6.172 -5.511 -9.246
34 2HD2 ASN 5 2HD2 ASN 5 7.862 -5.654 -8.897
35 H VAL 6 H VAL 6 4.749 -1.836 -4.517
36 HA VAL 6 HA VAL 6 5.639 0.051 -6.585
37 HB VAL 6 HB VAL 6 3.126 -0.048 -4.946
38 1HG1 VAL 6 1HG1 VAL 6 2.652 2.273 -5.503
39 2HG1 VAL 6 2HG1 VAL 6 4.072 2.127 -4.468
40 3HG1 VAL 6 3HG1 VAL 6 4.269 2.442 -6.192
41 1HG2 VAL 6 1HG2 VAL 6 3.686 0.558 -7.845
42 2HG2 VAL 6 2HG2 VAL 6 3.051 -0.951 -7.191
43 3HG2 VAL 6 3HG2 VAL 6 2.088 0.524 -7.099
44 H LYS 7 H LYS 7 7.061 1.514 -5.882
45 HA LYS 7 HA LYS 7 8.292 1.190 -3.388
46 1HB LYS 7 1HB LYS 7 8.471 3.538 -5.284
47 2HB LYS 7 2HB LYS 7 9.602 3.189 -3.983
48 1HG LYS 7 1HG LYS 7 9.092 1.466 -6.401
49 2HG LYS 7 2HG LYS 7 10.496 2.503 -6.137
50 1HD LYS 7 1HD LYS 7 11.097 1.165 -4.164
51 2HD LYS 7 2HD LYS 7 9.696 0.130 -4.451
52 1HE LYS 7 1HE LYS 7 11.761 -0.885 -5.291
53 2HE LYS 7 2HE LYS 7 10.620 -0.557 -6.595
54 1HZ LYS 7 1HZ LYS 7 11.870 1.318 -7.274
55 2HZ LYS 7 2HZ LYS 7 12.985 0.058 -7.060
56 3HZ LYS 7 3HZ LYS 7 12.845 1.276 -5.887
57 H CYS 8 H CYS 8 8.332 2.447 -1.526
58 HA CYS 8 HA CYS 8 5.879 4.013 -1.146
59 1HB CYS 8 1HB CYS 8 6.384 3.578 1.319
60 2HB CYS 8 2HB CYS 8 5.848 2.211 0.352
61 H SER 9 H SER 9 5.959 6.099 -0.749
62 HA SER 9 HA SER 9 8.530 7.371 -0.233
63 1HB SER 9 1HB SER 9 5.849 8.650 -0.810
64 2HB SER 9 2HB SER 9 7.429 9.431 -0.862
65 HG SER 9 HG SER 9 7.175 8.922 -2.923
66 H GLY 10 H GLY 10 6.872 5.840 1.794
67 1HA GLY 10 1HA GLY 10 7.288 6.458 4.161
68 2HA GLY 10 2HA GLY 10 6.617 8.023 3.757
69 H SER 11 H SER 11 5.310 5.015 2.634
70 HA SER 11 HA SER 11 3.470 3.783 3.107
71 1HB SER 11 1HB SER 11 3.481 5.333 5.708
72 2HB SER 11 2HB SER 11 2.404 3.977 5.356
73 HG SER 11 HG SER 11 4.914 3.905 6.254
74 H SER 12 H SER 12 3.066 7.281 3.699
75 HA SER 12 HA SER 12 0.280 7.354 3.308
76 1HB SER 12 1HB SER 12 1.652 9.225 4.218
77 2HB SER 12 2HB SER 12 2.268 9.520 2.594
78 HG SER 12 HG SER 12 -0.481 9.594 3.346
79 H LYS 13 H LYS 13 2.892 6.912 1.160
80 HA LYS 13 HA LYS 13 1.844 7.546 -1.331
81 1HB LYS 13 1HB LYS 13 4.166 6.839 -0.913
82 2HB LYS 13 2HB LYS 13 3.609 5.218 -0.534
83 1HG LYS 13 1HG LYS 13 4.503 5.203 -2.736
84 2HG LYS 13 2HG LYS 13 2.751 5.046 -2.866
85 1HD LYS 13 1HD LYS 13 2.501 7.284 -3.569
86 2HD LYS 13 2HD LYS 13 4.150 7.698 -3.093
87 1HE LYS 13 1HE LYS 13 3.992 7.496 -5.505
88 2HE LYS 13 2HE LYS 13 5.012 6.219 -4.846
89 1HZ LYS 13 1HZ LYS 13 2.172 5.933 -5.669
90 2HZ LYS 13 2HZ LYS 13 3.129 4.704 -5.005
91 3HZ LYS 13 3HZ LYS 13 3.521 5.350 -6.518
92 H CYS 14 H CYS 14 1.408 4.653 0.663
93 HA CYS 14 HA CYS 14 -0.292 3.453 -1.390
94 1HB CYS 14 1HB CYS 14 -0.185 1.552 0.473
95 2HB CYS 14 2HB CYS 14 1.092 1.773 -0.718
96 H VAL 15 H VAL 15 -0.383 4.255 2.076
97 HA VAL 15 HA VAL 15 -2.929 3.170 2.558
98 HB VAL 15 HB VAL 15 -1.271 3.669 4.309
99 1HG1 VAL 15 1HG1 VAL 15 -0.968 5.923 5.114
100 2HG1 VAL 15 2HG1 VAL 15 -0.515 5.785 3.412
101 3HG1 VAL 15 3HG1 VAL 15 -2.050 6.533 3.859
102 1HG2 VAL 15 1HG2 VAL 15 -3.942 5.011 4.735
103 2HG2 VAL 15 2HG2 VAL 15 -3.576 3.304 4.975
104 3HG2 VAL 15 3HG2 VAL 15 -2.825 4.518 6.011
105 H LYS 16 H LYS 16 -2.116 5.932 0.806
106 HA LYS 16 HA LYS 16 -4.741 7.126 1.229
107 1HB LYS 16 1HB LYS 16 -2.797 8.628 1.156
108 2HB LYS 16 2HB LYS 16 -2.423 8.068 -0.468
109 1HG LYS 16 1HG LYS 16 -4.510 8.992 -1.290
110 2HG LYS 16 2HG LYS 16 -4.937 9.513 0.341
111 1HD LYS 16 1HD LYS 16 -4.075 11.383 -0.938
112 2HD LYS 16 2HD LYS 16 -2.962 10.982 0.370
113 1HE LYS 16 1HE LYS 16 -2.549 9.788 -2.336
114 2HE LYS 16 2HE LYS 16 -2.077 11.460 -2.051
115 1HZ LYS 16 1HZ LYS 16 -1.116 9.118 -0.494
116 2HZ LYS 16 2HZ LYS 16 -0.652 10.727 -0.253
117 3HZ LYS 16 3HZ LYS 16 -0.238 9.933 -1.695
118 H ILE 17 H ILE 17 -2.764 5.791 -1.436
119 HA ILE 17 HA ILE 17 -4.991 6.134 -3.254
120 HB ILE 17 HB ILE 17 -2.619 6.586 -3.918
121 1HG1 ILE 17 1HG1 ILE 17 -3.005 5.972 -6.168
122 2HG1 ILE 17 2HG1 ILE 17 -3.894 4.523 -5.702
123 1HG2 ILE 17 1HG2 ILE 17 -1.233 4.723 -4.655
124 2HG2 ILE 17 2HG2 ILE 17 -1.547 4.646 -2.921
125 3HG2 ILE 17 3HG2 ILE 17 -2.425 3.586 -4.022
126 1HD1 ILE 17 1HD1 ILE 17 -5.372 6.251 -6.583
127 2HD1 ILE 17 2HD1 ILE 17 -5.731 5.894 -4.890
128 3HD1 ILE 17 3HD1 ILE 17 -4.839 7.357 -5.317
129 H CYS 18 H CYS 18 -3.408 3.495 -1.591
130 HA CYS 18 HA CYS 18 -4.465 1.373 -3.127
131 1HB CYS 18 1HB CYS 18 -2.622 1.355 -1.279
132 2HB CYS 18 2HB CYS 18 -3.968 1.143 -0.168
133 H ILE 19 H ILE 19 -5.798 3.418 -0.705
134 HA ILE 19 HA ILE 19 -8.079 1.798 -0.121
135 HB ILE 19 HB ILE 19 -7.304 4.625 0.565
136 1HG1 ILE 19 1HG1 ILE 19 -7.446 3.794 2.882
137 2HG1 ILE 19 2HG1 ILE 19 -7.928 2.214 2.285
138 1HG2 ILE 19 1HG2 ILE 19 -9.370 4.843 1.882
139 2HG2 ILE 19 2HG2 ILE 19 -9.680 4.740 0.151
140 3HG2 ILE 19 3HG2 ILE 19 -9.959 3.336 1.182
141 1HD1 ILE 19 1HD1 ILE 19 -5.772 1.927 1.231
142 2HD1 ILE 19 2HD1 ILE 19 -5.291 3.548 1.731
143 3HD1 ILE 19 3HD1 ILE 19 -5.575 2.299 2.943
144 H ASP 20 H ASP 20 -7.291 4.361 -2.342
145 HA ASP 20 HA ASP 20 -9.998 4.833 -3.187
146 1HB ASP 20 1HB ASP 20 -8.367 6.623 -3.375
147 2HB ASP 20 2HB ASP 20 -7.326 5.622 -4.380
148 H ARG 21 H ARG 21 -7.281 2.903 -4.184
149 HA ARG 21 HA ARG 21 -8.376 2.106 -6.694
150 1HB ARG 21 1HB ARG 21 -6.081 1.053 -5.047
151 2HB ARG 21 2HB ARG 21 -6.509 0.407 -6.621
152 1HG ARG 21 1HG ARG 21 -6.057 2.548 -7.658
153 2HG ARG 21 2HG ARG 21 -5.710 3.257 -6.079
154 1HD ARG 21 1HD ARG 21 -3.807 1.863 -5.783
155 2HD ARG 21 2HD ARG 21 -4.202 0.914 -7.218
156 HE ARG 21 HE ARG 21 -3.780 3.716 -7.750
157 1HH1 ARG 21 2HH1 ARG 21 -2.278 0.562 -7.481
158 2HH1 ARG 21 1HH1 ARG 21 -0.878 1.004 -8.405
159 1HH2 ARG 21 2HH2 ARG 21 -1.923 4.314 -8.952
160 2HH2 ARG 21 1HH2 ARG 21 -0.663 3.142 -9.228
161 H TYR 22 H TYR 22 -8.024 0.424 -3.533
162 HA TYR 22 HA TYR 22 -9.575 -1.773 -4.721
163 1HB TYR 22 1HB TYR 22 -7.565 -1.903 -2.469
164 2HB TYR 22 2HB TYR 22 -8.440 -3.268 -3.155
165 HD1 TYR 22 1HD TYR 22 -5.631 -1.006 -3.536
166 HD2 TYR 22 2HD TYR 22 -7.948 -4.011 -5.466
167 HE1 TYR 22 1HE TYR 22 -3.841 -1.320 -5.184
168 HE2 TYR 22 2HE TYR 22 -6.159 -4.333 -7.121
169 HH TYR 22 HH TYR 22 -4.264 -3.031 -8.062
170 H ASN 23 H ASN 23 -8.962 -2.123 -1.450
171 HA ASN 23 HA ASN 23 -11.468 -1.080 -0.470
172 1HB ASN 23 1HB ASN 23 -12.499 -3.249 -0.020
173 2HB ASN 23 2HB ASN 23 -12.187 -3.090 -1.745
174 1HD2 ASN 23 1HD2 ASN 23 -12.566 -5.507 -0.186
175 2HD2 ASN 23 2HD2 ASN 23 -11.131 -6.453 -0.403
176 H THR 24 H THR 24 -8.509 -1.213 0.133
177 HA THR 24 HA THR 24 -8.498 -2.712 2.660
178 HB THR 24 HB THR 24 -6.711 -3.258 1.045
179 HG1 THR 24 1HG THR 24 -6.273 -3.304 3.364
180 1HG2 THR 24 1HG2 THR 24 -5.882 -0.376 1.400
181 2HG2 THR 24 2HG2 THR 24 -6.540 -1.100 -0.068
182 3HG2 THR 24 3HG2 THR 24 -4.966 -1.610 0.535
183 H ARG 25 H ARG 25 -7.152 -1.637 4.431
184 HA ARG 25 HA ARG 25 -7.096 1.281 4.280
185 1HB ARG 25 1HB ARG 25 -8.087 1.560 6.483
186 2HB ARG 25 2HB ARG 25 -9.213 0.734 5.418
187 1HG ARG 25 1HG ARG 25 -7.445 -0.829 7.257
188 2HG ARG 25 2HG ARG 25 -8.931 -0.086 7.849
189 1HD ARG 25 1HD ARG 25 -8.782 -1.973 5.498
190 2HD ARG 25 2HD ARG 25 -9.193 -2.459 7.144
191 HE ARG 25 HE ARG 25 -10.873 -0.337 6.332
192 1HH1 ARG 25 2HH1 ARG 25 -10.319 -3.744 5.738
193 2HH1 ARG 25 1HH1 ARG 25 -11.984 -4.078 5.351
194 1HH2 ARG 25 2HH2 ARG 25 -13.062 -0.777 5.848
195 2HH2 ARG 25 1HH2 ARG 25 -13.542 -2.388 5.410
196 H GLY 26 H GLY 26 -5.496 -1.501 4.796
197 1HA GLY 26 1HA GLY 26 -3.718 -0.302 6.830
198 2HA GLY 26 2HA GLY 26 -4.031 -2.029 6.721
199 H ALA 27 H ALA 27 -2.832 0.653 4.711
200 HA ALA 27 HA ALA 27 -0.980 -1.250 3.445
201 1HB ALA 27 1HB ALA 27 -1.887 1.488 2.537
202 2HB ALA 27 2HB ALA 27 -0.728 0.467 1.682
203 3HB ALA 27 3HB ALA 27 -2.400 -0.063 1.871
204 H LYS 28 H LYS 28 1.186 -1.020 3.697
205 HA LYS 28 HA LYS 28 2.174 1.348 5.114
206 1HB LYS 28 1HB LYS 28 1.580 -0.342 6.810
207 2HB LYS 28 2HB LYS 28 2.632 -1.505 6.015
208 1HG LYS 28 1HG LYS 28 4.566 -0.107 6.519
209 2HG LYS 28 2HG LYS 28 3.510 1.075 7.298
210 1HD LYS 28 1HD LYS 28 2.826 -0.630 8.928
211 2HD LYS 28 2HD LYS 28 3.908 -1.792 8.156
212 1HE LYS 28 1HE LYS 28 5.821 -0.354 8.693
213 2HE LYS 28 2HE LYS 28 4.733 0.795 9.474
214 1HZ LYS 28 1HZ LYS 28 5.774 -0.638 11.100
215 2HZ LYS 28 2HZ LYS 28 5.200 -2.018 10.306
216 3HZ LYS 28 3HZ LYS 28 4.107 -0.952 11.045
217 H CYS 29 H CYS 29 4.343 1.790 4.843
218 HA CYS 29 HA CYS 29 5.749 0.526 2.657
219 1HB CYS 29 1HB CYS 29 5.948 2.928 2.974
220 2HB CYS 29 2HB CYS 29 6.505 2.706 4.621
221 H ILE 30 H ILE 30 6.698 -1.409 3.008
222 HA ILE 30 HA ILE 30 7.731 -1.960 5.709
223 HB ILE 30 HB ILE 30 5.587 -2.935 5.711
224 1HG1 ILE 30 1HG1 ILE 30 6.066 -5.420 5.719
225 2HG1 ILE 30 2HG1 ILE 30 7.681 -5.033 5.132
226 1HG2 ILE 30 1HG2 ILE 30 4.768 -4.460 3.981
227 2HG2 ILE 30 2HG2 ILE 30 5.103 -2.847 3.350
228 3HG2 ILE 30 3HG2 ILE 30 6.233 -4.167 3.041
229 1HD1 ILE 30 1HD1 ILE 30 7.622 -5.394 7.546
230 2HD1 ILE 30 2HD1 ILE 30 8.127 -3.755 7.135
231 3HD1 ILE 30 3HD1 ILE 30 6.490 -4.054 7.714
232 H ASN 31 H ASN 31 7.724 -3.076 2.324
233 HA ASN 31 HA ASN 31 10.250 -4.490 2.876
234 1HB ASN 31 1HB ASN 31 8.267 -4.907 0.621
235 2HB ASN 31 2HB ASN 31 9.768 -5.800 0.825
236 1HD2 ASN 31 1HD2 ASN 31 6.487 -5.495 1.752
237 2HD2 ASN 31 2HD2 ASN 31 6.435 -6.828 2.855
238 H GLY 32 H GLY 32 10.221 -1.670 2.457
239 1HA GLY 32 1HA GLY 32 11.425 -0.128 1.209
240 2HA GLY 32 2HA GLY 32 11.874 -1.419 0.095
241 H ARG 33 H ARG 33 8.768 -1.850 0.369
242 HA ARG 33 HA ARG 33 7.848 0.271 -1.390
243 1HB ARG 33 1HB ARG 33 6.858 -1.264 -2.953
244 2HB ARG 33 2HB ARG 33 8.567 -1.644 -2.814
245 1HG ARG 33 1HG ARG 33 8.038 -3.525 -1.351
246 2HG ARG 33 2HG ARG 33 6.319 -3.132 -1.470
247 1HD ARG 33 1HD ARG 33 6.450 -3.443 -3.912
248 2HD ARG 33 2HD ARG 33 8.140 -3.919 -3.739
249 HE ARG 33 HE ARG 33 5.815 -5.449 -2.745
250 1HH1 ARG 33 2HH1 ARG 33 9.214 -5.246 -3.583
251 2HH1 ARG 33 1HH1 ARG 33 9.439 -6.970 -3.626
252 1HH2 ARG 33 2HH2 ARG 33 6.096 -7.702 -2.849
253 2HH2 ARG 33 1HH2 ARG 33 7.662 -8.366 -3.218
254 H CYS 34 H CYS 34 5.349 -0.213 -1.751
255 HA CYS 34 HA CYS 34 4.293 -0.415 0.958
256 1HB CYS 34 1HB CYS 34 3.441 0.927 -1.544
257 2HB CYS 34 2HB CYS 34 2.185 0.440 -0.410
258 H THR 35 H THR 35 3.225 -2.074 1.654
259 HA THR 35 HA THR 35 1.834 -3.806 -0.278
260 HB THR 35 HB THR 35 3.040 -4.617 2.381
261 HG1 THR 35 1HG THR 35 3.881 -5.255 -0.287
262 1HG2 THR 35 1HG2 THR 35 2.530 -6.912 1.649
263 2HG2 THR 35 2HG2 THR 35 1.722 -6.266 0.219
264 3HG2 THR 35 3HG2 THR 35 1.070 -5.937 1.827
265 H CYS 36 H CYS 36 -0.305 -4.090 0.056
266 HA CYS 36 HA CYS 36 -1.500 -2.651 2.314
267 1HB CYS 36 1HB CYS 36 -2.837 -3.674 -0.194
268 2HB CYS 36 2HB CYS 36 -3.525 -2.578 0.998
269 H TYR 37 H TYR 37 -2.406 -3.717 3.936
270 HA TYR 37 HA TYR 37 -2.832 -6.616 3.632
271 1HB TYR 37 1HB TYR 37 -2.454 -5.064 6.197
272 2HB TYR 37 2HB TYR 37 -2.437 -6.811 6.002
273 HD1 TYR 37 1HD TYR 37 -0.533 -3.700 5.442
274 HD2 TYR 37 2HD TYR 37 -0.467 -7.952 5.239
275 HE1 TYR 37 1HE TYR 37 1.917 -3.647 5.220
276 HE2 TYR 37 2HE TYR 37 1.978 -7.908 5.004
277 HH TYR 37 HH TYR 37 3.743 -6.405 4.322
278 HA PRO 38 HA PRO 38 -7.105 -5.100 4.288
279 1HB PRO 38 1HB PRO 38 -7.869 -7.198 2.418
280 2HB PRO 38 2HB PRO 38 -8.051 -5.449 2.251
281 1HG PRO 38 1HG PRO 38 -6.334 -6.863 0.719
282 2HG PRO 38 2HG PRO 38 -5.991 -5.196 1.240
283 1HD PRO 38 1HD PRO 38 -5.029 -7.777 2.462
284 2HD PRO 38 2HD PRO 38 -4.087 -6.334 2.010
Start of MODEL 5
1 HN PCA 1 H PCA 1 -1.773 -11.260 0.303
2 HA PCA 1 HA PCA 1 -3.018 -9.143 1.327
3 1HB PCA 1 1HB PCA 1 -1.760 -8.258 2.998
4 2HB PCA 1 2HB PCA 1 -0.349 -8.118 1.936
5 1HG PCA 1 1HG PCA 1 -0.916 -10.080 3.961
6 2HG PCA 1 2HG PCA 1 0.561 -9.857 2.997
7 H ILE 2 H ILE 2 -2.589 -6.920 0.454
8 HA ILE 2 HA ILE 2 -2.077 -7.061 -2.324
9 HB ILE 2 HB ILE 2 -2.831 -4.895 -0.424
10 1HG1 ILE 2 1HG1 ILE 2 -4.547 -4.513 -2.249
11 2HG1 ILE 2 2HG1 ILE 2 -3.896 -5.939 -3.041
12 1HG2 ILE 2 1HG2 ILE 2 -1.104 -3.736 -1.611
13 2HG2 ILE 2 2HG2 ILE 2 -1.703 -4.334 -3.162
14 3HG2 ILE 2 3HG2 ILE 2 -2.663 -3.187 -2.226
15 1HD1 ILE 2 1HD1 ILE 2 -5.905 -6.445 -1.787
16 2HD1 ILE 2 2HD1 ILE 2 -4.507 -7.299 -1.129
17 3HD1 ILE 2 3HD1 ILE 2 -5.136 -5.870 -0.306
18 H ASP 3 H ASP 3 -0.072 -7.399 -3.046
19 HA ASP 3 HA ASP 3 1.985 -5.517 -2.112
20 1HB ASP 3 1HB ASP 3 2.755 -7.797 -1.809
21 2HB ASP 3 2HB ASP 3 2.338 -8.194 -3.476
22 H THR 4 H THR 4 1.712 -3.808 -3.364
23 HA THR 4 HA THR 4 0.897 -3.898 -6.079
24 HB THR 4 HB THR 4 1.448 -1.488 -6.097
25 HG1 THR 4 1HG THR 4 2.207 -1.663 -3.379
26 1HG2 THR 4 1HG2 THR 4 -0.083 -0.783 -4.317
27 2HG2 THR 4 2HG2 THR 4 0.057 -2.370 -3.561
28 3HG2 THR 4 3HG2 THR 4 -0.698 -2.213 -5.147
29 H ASN 5 H ASN 5 3.882 -4.240 -4.467
30 HA ASN 5 HA ASN 5 6.048 -4.345 -5.075
31 1HB ASN 5 1HB ASN 5 4.792 -5.947 -6.814
32 2HB ASN 5 2HB ASN 5 5.380 -4.742 -7.957
33 1HD2 ASN 5 1HD2 ASN 5 6.217 -7.287 -5.796
34 2HD2 ASN 5 2HD2 ASN 5 7.884 -7.415 -6.254
35 H VAL 6 H VAL 6 4.783 -1.906 -5.017
36 HA VAL 6 HA VAL 6 6.249 -0.338 -7.028
37 HB VAL 6 HB VAL 6 3.543 0.302 -5.841
38 1HG1 VAL 6 1HG1 VAL 6 5.206 1.863 -7.818
39 2HG1 VAL 6 2HG1 VAL 6 3.560 2.260 -7.321
40 3HG1 VAL 6 3HG1 VAL 6 4.875 2.317 -6.147
41 1HG2 VAL 6 1HG2 VAL 6 3.381 -1.405 -7.558
42 2HG2 VAL 6 2HG2 VAL 6 2.718 0.118 -8.152
43 3HG2 VAL 6 3HG2 VAL 6 4.321 -0.407 -8.669
44 H LYS 7 H LYS 7 7.716 0.849 -6.132
45 HA LYS 7 HA LYS 7 8.341 0.975 -3.480
46 1HB LYS 7 1HB LYS 7 8.947 3.087 -5.554
47 2HB LYS 7 2HB LYS 7 9.776 2.898 -4.017
48 1HG LYS 7 1HG LYS 7 10.644 0.753 -4.703
49 2HG LYS 7 2HG LYS 7 9.741 0.850 -6.219
50 1HD LYS 7 1HD LYS 7 11.918 2.743 -5.326
51 2HD LYS 7 2HD LYS 7 12.079 1.482 -6.550
52 1HE LYS 7 1HE LYS 7 10.568 2.586 -8.010
53 2HE LYS 7 2HE LYS 7 10.062 3.710 -6.750
54 1HZ LYS 7 1HZ LYS 7 11.599 4.715 -8.347
55 2HZ LYS 7 2HZ LYS 7 12.791 3.587 -7.919
56 3HZ LYS 7 3HZ LYS 7 12.234 4.711 -6.776
57 H CYS 8 H CYS 8 7.976 2.282 -1.793
58 HA CYS 8 HA CYS 8 5.631 4.012 -1.963
59 1HB CYS 8 1HB CYS 8 5.496 3.808 0.413
60 2HB CYS 8 2HB CYS 8 5.901 2.202 -0.186
61 H SER 9 H SER 9 5.672 6.104 -0.928
62 HA SER 9 HA SER 9 8.343 7.316 -0.664
63 1HB SER 9 1HB SER 9 5.680 8.734 -0.953
64 2HB SER 9 2HB SER 9 7.288 9.453 -1.066
65 HG SER 9 HG SER 9 7.458 7.725 -2.867
66 H GLY 10 H GLY 10 7.178 5.582 1.222
67 1HA GLY 10 1HA GLY 10 7.076 5.807 3.636
68 2HA GLY 10 2HA GLY 10 6.280 7.363 3.391
69 H SER 11 H SER 11 5.185 5.258 4.962
70 HA SER 11 HA SER 11 3.391 3.631 3.532
71 1HB SER 11 1HB SER 11 2.222 3.507 5.816
72 2HB SER 11 2HB SER 11 3.904 2.975 5.740
73 HG SER 11 HG SER 11 3.283 4.460 7.515
74 H SER 12 H SER 12 3.283 6.954 4.373
75 HA SER 12 HA SER 12 0.556 7.404 4.681
76 1HB SER 12 1HB SER 12 2.654 9.282 3.588
77 2HB SER 12 2HB SER 12 1.074 9.751 4.216
78 HG SER 12 HG SER 12 2.056 8.320 6.111
79 H LYS 13 H LYS 13 2.436 7.015 1.743
80 HA LYS 13 HA LYS 13 0.390 8.011 0.009
81 1HB LYS 13 1HB LYS 13 2.730 7.882 -0.743
82 2HB LYS 13 2HB LYS 13 2.680 6.126 -0.602
83 1HG LYS 13 1HG LYS 13 1.026 5.985 -2.346
84 2HG LYS 13 2HG LYS 13 0.927 7.744 -2.440
85 1HD LYS 13 1HD LYS 13 3.391 6.106 -3.037
86 2HD LYS 13 2HD LYS 13 2.284 6.755 -4.248
87 1HE LYS 13 1HE LYS 13 2.762 9.036 -3.360
88 2HE LYS 13 2HE LYS 13 3.991 8.323 -2.316
89 1HZ LYS 13 1HZ LYS 13 5.047 7.442 -4.383
90 2HZ LYS 13 2HZ LYS 13 5.072 9.132 -4.240
91 3HZ LYS 13 3HZ LYS 13 3.957 8.389 -5.278
92 H CYS 14 H CYS 14 1.449 4.784 0.981
93 HA CYS 14 HA CYS 14 -0.370 3.363 -0.619
94 1HB CYS 14 1HB CYS 14 0.482 2.073 1.890
95 2HB CYS 14 2HB CYS 14 0.654 1.539 0.227
96 H VAL 15 H VAL 15 -0.527 4.367 2.791
97 HA VAL 15 HA VAL 15 -2.908 3.005 3.411
98 HB VAL 15 HB VAL 15 -1.324 3.910 5.093
99 1HG1 VAL 15 1HG1 VAL 15 -2.553 6.563 4.388
100 2HG1 VAL 15 2HG1 VAL 15 -1.453 6.257 5.731
101 3HG1 VAL 15 3HG1 VAL 15 -0.891 6.065 4.071
102 1HG2 VAL 15 1HG2 VAL 15 -3.005 4.644 6.721
103 2HG2 VAL 15 2HG2 VAL 15 -4.171 4.846 5.413
104 3HG2 VAL 15 3HG2 VAL 15 -3.548 3.242 5.796
105 H LYS 16 H LYS 16 -2.404 5.761 1.491
106 HA LYS 16 HA LYS 16 -5.187 6.635 1.804
107 1HB LYS 16 1HB LYS 16 -3.297 8.300 1.986
108 2HB LYS 16 2HB LYS 16 -2.960 8.007 0.290
109 1HG LYS 16 1HG LYS 16 -5.669 8.923 1.189
110 2HG LYS 16 2HG LYS 16 -4.350 10.063 0.940
111 1HD LYS 16 1HD LYS 16 -5.382 8.135 -1.138
112 2HD LYS 16 2HD LYS 16 -5.833 9.837 -1.029
113 1HE LYS 16 1HE LYS 16 -3.051 8.761 -1.489
114 2HE LYS 16 2HE LYS 16 -4.095 9.482 -2.711
115 1HZ LYS 16 1HZ LYS 16 -2.840 10.818 -0.383
116 2HZ LYS 16 2HZ LYS 16 -4.081 11.532 -1.280
117 3HZ LYS 16 3HZ LYS 16 -2.607 11.154 -2.029
118 H ILE 17 H ILE 17 -2.801 5.765 -0.691
119 HA ILE 17 HA ILE 17 -4.743 6.068 -2.777
120 HB ILE 17 HB ILE 17 -2.272 6.529 -2.980
121 1HG1 ILE 17 1HG1 ILE 17 -2.282 6.060 -5.318
122 2HG1 ILE 17 2HG1 ILE 17 -3.359 4.684 -5.099
123 1HG2 ILE 17 1HG2 ILE 17 -0.833 4.671 -3.662
124 2HG2 ILE 17 2HG2 ILE 17 -1.418 4.469 -2.009
125 3HG2 ILE 17 3HG2 ILE 17 -2.146 3.541 -3.322
126 1HD1 ILE 17 1HD1 ILE 17 -4.520 6.598 -6.059
127 2HD1 ILE 17 2HD1 ILE 17 -5.169 6.171 -4.470
128 3HD1 ILE 17 3HD1 ILE 17 -4.097 7.566 -4.646
129 H CYS 18 H CYS 18 -3.645 3.463 -0.830
130 HA CYS 18 HA CYS 18 -4.378 1.325 -2.540
131 1HB CYS 18 1HB CYS 18 -2.929 1.149 -0.514
132 2HB CYS 18 2HB CYS 18 -4.362 1.332 0.483
133 H ILE 19 H ILE 19 -6.201 3.573 -0.727
134 HA ILE 19 HA ILE 19 -8.588 2.004 -0.570
135 HB ILE 19 HB ILE 19 -8.279 4.999 -0.321
136 1HG1 ILE 19 1HG1 ILE 19 -8.295 2.858 1.819
137 2HG1 ILE 19 2HG1 ILE 19 -6.888 3.780 1.301
138 1HG2 ILE 19 1HG2 ILE 19 -10.495 3.162 0.583
139 2HG2 ILE 19 2HG2 ILE 19 -10.402 4.896 0.901
140 3HG2 ILE 19 3HG2 ILE 19 -10.576 4.310 -0.755
141 1HD1 ILE 19 1HD1 ILE 19 -7.970 5.836 2.079
142 2HD1 ILE 19 2HD1 ILE 19 -9.339 4.881 2.652
143 3HD1 ILE 19 3HD1 ILE 19 -7.742 4.661 3.373
144 H ASP 20 H ASP 20 -7.088 4.077 -2.897
145 HA ASP 20 HA ASP 20 -9.515 4.371 -4.475
146 1HB ASP 20 1HB ASP 20 -8.032 6.278 -4.455
147 2HB ASP 20 2HB ASP 20 -6.667 5.279 -4.943
148 H ARG 21 H ARG 21 -6.379 2.761 -4.668
149 HA ARG 21 HA ARG 21 -6.833 1.564 -7.200
150 1HB ARG 21 1HB ARG 21 -4.954 0.682 -5.006
151 2HB ARG 21 2HB ARG 21 -4.874 0.199 -6.694
152 1HG ARG 21 1HG ARG 21 -4.396 2.502 -7.338
153 2HG ARG 21 2HG ARG 21 -4.499 2.992 -5.637
154 1HD ARG 21 1HD ARG 21 -2.619 1.668 -5.060
155 2HD ARG 21 2HD ARG 21 -2.573 0.914 -6.655
156 HE ARG 21 HE ARG 21 -2.242 3.797 -6.629
157 1HH1 ARG 21 2HH1 ARG 21 -0.676 0.656 -6.689
158 2HH1 ARG 21 1HH1 ARG 21 0.855 1.301 -7.196
159 1HH2 ARG 21 2HH2 ARG 21 -0.257 4.634 -7.312
160 2HH2 ARG 21 1HH2 ARG 21 1.104 3.577 -7.556
161 H TYR 22 H TYR 22 -7.068 0.325 -3.882
162 HA TYR 22 HA TYR 22 -8.416 -2.052 -4.951
163 1HB TYR 22 1HB TYR 22 -6.904 -1.711 -2.350
164 2HB TYR 22 2HB TYR 22 -7.684 -3.194 -2.897
165 HD1 TYR 22 1HD TYR 22 -6.732 -4.510 -4.686
166 HD2 TYR 22 2HD TYR 22 -4.844 -0.937 -3.376
167 HE1 TYR 22 1HE TYR 22 -4.697 -5.138 -5.916
168 HE2 TYR 22 2HE TYR 22 -2.806 -1.550 -4.598
169 HH TYR 22 HH TYR 22 -2.736 -4.176 -6.849
170 H ASN 23 H ASN 23 -8.554 -1.716 -1.624
171 HA ASN 23 HA ASN 23 -10.955 -0.149 -1.439
172 1HB ASN 23 1HB ASN 23 -12.370 -2.027 -0.639
173 2HB ASN 23 2HB ASN 23 -11.938 -2.184 -2.339
174 1HD2 ASN 23 1HD2 ASN 23 -10.519 -3.821 -2.953
175 2HD2 ASN 23 2HD2 ASN 23 -10.141 -5.154 -1.917
176 H THR 24 H THR 24 -8.184 -0.703 -0.203
177 HA THR 24 HA THR 24 -9.094 -1.417 2.491
178 HB THR 24 HB THR 24 -6.822 -2.504 2.751
179 HG1 THR 24 1HG THR 24 -5.873 -1.543 0.850
180 1HG2 THR 24 1HG2 THR 24 -8.841 -3.557 0.769
181 2HG2 THR 24 2HG2 THR 24 -8.803 -3.835 2.513
182 3HG2 THR 24 3HG2 THR 24 -7.553 -4.534 1.483
183 H ARG 25 H ARG 25 -8.608 -0.151 4.076
184 HA ARG 25 HA ARG 25 -7.036 2.234 3.604
185 1HB ARG 25 1HB ARG 25 -7.735 2.696 6.048
186 2HB ARG 25 2HB ARG 25 -8.977 2.716 4.808
187 1HG ARG 25 1HG ARG 25 -9.749 1.590 6.825
188 2HG ARG 25 2HG ARG 25 -9.693 0.478 5.460
189 1HD ARG 25 1HD ARG 25 -7.482 -0.328 6.286
190 2HD ARG 25 2HD ARG 25 -7.699 0.693 7.714
191 HE ARG 25 HE ARG 25 -9.959 -0.834 7.663
192 1HH1 ARG 25 2HH1 ARG 25 -6.534 -1.535 7.616
193 2HH1 ARG 25 1HH1 ARG 25 -6.701 -3.085 8.379
194 1HH2 ARG 25 2HH2 ARG 25 -10.199 -2.856 8.682
195 2HH2 ARG 25 1HH2 ARG 25 -8.797 -3.833 9.003
196 H GLY 26 H GLY 26 -6.384 -0.862 4.640
197 1HA GLY 26 1HA GLY 26 -4.385 -0.057 6.620
198 2HA GLY 26 2HA GLY 26 -4.946 -1.698 6.324
199 H ALA 27 H ALA 27 -2.614 0.685 5.547
200 HA ALA 27 HA ALA 27 -1.237 -1.293 3.899
201 1HB ALA 27 1HB ALA 27 -1.617 1.573 3.049
202 2HB ALA 27 2HB ALA 27 -0.657 0.355 2.209
203 3HB ALA 27 3HB ALA 27 -2.407 0.171 2.329
204 H LYS 28 H LYS 28 0.941 -1.251 4.034
205 HA LYS 28 HA LYS 28 2.265 0.883 5.510
206 1HB LYS 28 1HB LYS 28 1.470 -0.880 7.145
207 2HB LYS 28 2HB LYS 28 2.529 -2.017 6.330
208 1HG LYS 28 1HG LYS 28 3.794 0.473 7.249
209 2HG LYS 28 2HG LYS 28 3.216 -0.615 8.512
210 1HD LYS 28 1HD LYS 28 4.513 -2.441 7.533
211 2HD LYS 28 2HD LYS 28 5.079 -1.362 6.255
212 1HE LYS 28 1HE LYS 28 6.752 -1.633 8.029
213 2HE LYS 28 2HE LYS 28 6.199 0.035 7.899
214 1HZ LYS 28 1HZ LYS 28 6.365 -0.674 10.202
215 2HZ LYS 28 2HZ LYS 28 5.273 -1.939 9.923
216 3HZ LYS 28 3HZ LYS 28 4.752 -0.333 9.803
217 H CYS 29 H CYS 29 4.424 1.096 4.926
218 HA CYS 29 HA CYS 29 5.139 -0.304 2.489
219 1HB CYS 29 1HB CYS 29 5.446 2.119 2.590
220 2HB CYS 29 2HB CYS 29 6.512 1.949 3.977
221 H ILE 30 H ILE 30 6.212 -2.168 2.572
222 HA ILE 30 HA ILE 30 7.495 -2.849 5.112
223 HB ILE 30 HB ILE 30 5.762 -4.375 4.542
224 1HG1 ILE 30 1HG1 ILE 30 7.012 -6.530 4.322
225 2HG1 ILE 30 2HG1 ILE 30 8.471 -5.598 4.003
226 1HG2 ILE 30 1HG2 ILE 30 5.652 -5.653 2.492
227 2HG2 ILE 30 2HG2 ILE 30 5.642 -3.925 2.139
228 3HG2 ILE 30 3HG2 ILE 30 7.113 -4.866 1.894
229 1HD1 ILE 30 1HD1 ILE 30 6.830 -5.471 6.521
230 2HD1 ILE 30 2HD1 ILE 30 8.357 -6.333 6.324
231 3HD1 ILE 30 3HD1 ILE 30 8.312 -4.573 6.201
232 H ASN 31 H ASN 31 8.113 -3.575 1.658
233 HA ASN 31 HA ASN 31 10.959 -3.880 2.345
234 1HB ASN 31 1HB ASN 31 11.128 -5.192 0.265
235 2HB ASN 31 2HB ASN 31 9.922 -5.869 1.355
236 1HD2 ASN 31 1HD2 ASN 31 10.243 -6.094 -1.569
237 2HD2 ASN 31 2HD2 ASN 31 8.720 -5.588 -2.233
238 H GLY 32 H GLY 32 9.305 -1.433 1.665
239 1HA GLY 32 1HA GLY 32 10.261 0.562 0.756
240 2HA GLY 32 2HA GLY 32 11.086 -0.431 -0.442
241 H ARG 33 H ARG 33 8.196 -1.828 -0.363
242 HA ARG 33 HA ARG 33 7.046 -0.009 -2.376
243 1HB ARG 33 1HB ARG 33 5.962 -2.761 -2.037
244 2HB ARG 33 2HB ARG 33 6.106 -1.773 -3.485
245 1HG ARG 33 1HG ARG 33 8.492 -3.002 -2.163
246 2HG ARG 33 2HG ARG 33 7.513 -3.871 -3.343
247 1HD ARG 33 1HD ARG 33 7.866 -1.838 -4.867
248 2HD ARG 33 2HD ARG 33 9.154 -1.389 -3.738
249 HE ARG 33 HE ARG 33 9.105 -3.782 -5.443
250 1HH1 ARG 33 2HH1 ARG 33 10.826 -1.628 -3.296
251 2HH1 ARG 33 1HH1 ARG 33 12.367 -2.373 -3.570
252 1HH2 ARG 33 2HH2 ARG 33 11.136 -4.772 -5.811
253 2HH2 ARG 33 1HH2 ARG 33 12.542 -4.159 -4.998
254 H CYS 34 H CYS 34 4.585 -0.174 -2.441
255 HA CYS 34 HA CYS 34 3.564 0.168 0.256
256 1HB CYS 34 1HB CYS 34 2.521 0.828 -2.486
257 2HB CYS 34 2HB CYS 34 1.458 0.880 -1.080
258 H THR 35 H THR 35 2.881 -1.560 1.282
259 HA THR 35 HA THR 35 1.429 -3.641 -0.212
260 HB THR 35 HB THR 35 3.140 -3.937 2.271
261 HG1 THR 35 1HG THR 35 3.610 -4.931 -0.363
262 1HG2 THR 35 1HG2 THR 35 1.311 -5.552 2.252
263 2HG2 THR 35 2HG2 THR 35 2.850 -6.355 1.933
264 3HG2 THR 35 3HG2 THR 35 1.732 -6.031 0.607
265 H CYS 36 H CYS 36 -0.585 -4.149 0.490
266 HA CYS 36 HA CYS 36 -1.564 -2.657 2.829
267 1HB CYS 36 1HB CYS 36 -3.219 -3.792 0.570
268 2HB CYS 36 2HB CYS 36 -3.747 -2.661 1.823
269 H TYR 37 H TYR 37 -2.518 -3.646 4.469
270 HA TYR 37 HA TYR 37 -2.682 -6.589 4.400
271 1HB TYR 37 1HB TYR 37 -1.974 -4.839 6.769
272 2HB TYR 37 2HB TYR 37 -2.052 -6.595 6.764
273 HD1 TYR 37 1HD TYR 37 -0.252 -7.914 5.872
274 HD2 TYR 37 2HD TYR 37 -0.116 -3.664 5.642
275 HE1 TYR 37 1HE TYR 37 2.133 -8.025 5.289
276 HE2 TYR 37 2HE TYR 37 2.271 -3.768 5.061
277 HH TYR 37 HH TYR 37 4.158 -5.309 5.337
278 HA PRO 38 HA PRO 38 -6.892 -5.046 5.370
279 1HB PRO 38 1HB PRO 38 -7.749 -7.332 3.761
280 2HB PRO 38 2HB PRO 38 -8.039 -5.608 3.498
281 1HG PRO 38 1HG PRO 38 -6.410 -7.015 1.885
282 2HG PRO 38 2HG PRO 38 -6.079 -5.315 2.303
283 1HD PRO 38 1HD PRO 38 -4.922 -7.812 3.530
284 2HD PRO 38 2HD PRO 38 -4.080 -6.362 2.930
Start of MODEL 6
1 HN PCA 1 H PCA 1 -1.094 -11.402 -0.116
2 HA PCA 1 HA PCA 1 -2.261 -9.486 1.207
3 1HB PCA 1 1HB PCA 1 -0.786 -8.592 2.682
4 2HB PCA 1 2HB PCA 1 0.226 -8.016 1.347
5 1HG PCA 1 1HG PCA 1 0.651 -10.231 3.128
6 2HG PCA 1 2HG PCA 1 1.732 -9.572 1.880
7 H ILE 2 H ILE 2 -2.185 -7.097 0.440
8 HA ILE 2 HA ILE 2 -2.038 -7.092 -2.449
9 HB ILE 2 HB ILE 2 -2.815 -4.899 -0.514
10 1HG1 ILE 2 1HG1 ILE 2 -4.368 -6.799 -0.514
11 2HG1 ILE 2 2HG1 ILE 2 -5.110 -5.369 -1.222
12 1HG2 ILE 2 1HG2 ILE 2 -2.014 -3.887 -2.540
13 2HG2 ILE 2 2HG2 ILE 2 -3.001 -4.972 -3.522
14 3HG2 ILE 2 3HG2 ILE 2 -3.772 -3.762 -2.495
15 1HD1 ILE 2 1HD1 ILE 2 -3.960 -7.686 -2.757
16 2HD1 ILE 2 2HD1 ILE 2 -5.671 -7.389 -2.450
17 3HD1 ILE 2 3HD1 ILE 2 -4.748 -6.266 -3.447
18 H ASP 3 H ASP 3 0.204 -7.288 -2.818
19 HA ASP 3 HA ASP 3 1.852 -5.052 -1.882
20 1HB ASP 3 1HB ASP 3 2.695 -7.395 -1.578
21 2HB ASP 3 2HB ASP 3 2.760 -7.546 -3.331
22 H THR 4 H THR 4 1.802 -3.371 -3.143
23 HA THR 4 HA THR 4 1.010 -3.512 -5.884
24 HB THR 4 HB THR 4 1.447 -1.062 -5.889
25 HG1 THR 4 1HG THR 4 2.157 -1.458 -3.150
26 1HG2 THR 4 1HG2 THR 4 -0.295 -0.472 -4.251
27 2HG2 THR 4 2HG2 THR 4 -0.148 -2.074 -3.526
28 3HG2 THR 4 3HG2 THR 4 -0.736 -1.905 -5.181
29 H ASN 5 H ASN 5 3.944 -3.923 -4.274
30 HA ASN 5 HA ASN 5 6.118 -4.069 -4.911
31 1HB ASN 5 1HB ASN 5 4.935 -4.266 -7.686
32 2HB ASN 5 2HB ASN 5 6.603 -4.638 -7.281
33 1HD2 ASN 5 1HD2 ASN 5 5.933 -5.959 -4.776
34 2HD2 ASN 5 2HD2 ASN 5 5.219 -7.475 -5.208
35 H VAL 6 H VAL 6 5.201 -1.589 -4.430
36 HA VAL 6 HA VAL 6 6.366 0.108 -6.534
37 HB VAL 6 HB VAL 6 4.122 0.730 -4.613
38 1HG1 VAL 6 1HG1 VAL 6 4.019 2.941 -5.677
39 2HG1 VAL 6 2HG1 VAL 6 5.573 2.687 -4.882
40 3HG1 VAL 6 3HG1 VAL 6 5.446 2.548 -6.636
41 1HG2 VAL 6 1HG2 VAL 6 3.433 -0.596 -6.538
42 2HG2 VAL 6 2HG2 VAL 6 2.797 1.045 -6.657
43 3HG2 VAL 6 3HG2 VAL 6 4.190 0.569 -7.626
44 H LYS 7 H LYS 7 8.359 0.456 -5.825
45 HA LYS 7 HA LYS 7 9.289 0.721 -3.254
46 1HB LYS 7 1HB LYS 7 10.250 2.179 -5.718
47 2HB LYS 7 2HB LYS 7 11.138 2.091 -4.204
48 1HG LYS 7 1HG LYS 7 11.209 -0.373 -4.445
49 2HG LYS 7 2HG LYS 7 10.437 -0.203 -6.024
50 1HD LYS 7 1HD LYS 7 12.834 -0.413 -6.299
51 2HD LYS 7 2HD LYS 7 12.320 1.212 -6.759
52 1HE LYS 7 1HE LYS 7 12.945 1.955 -4.442
53 2HE LYS 7 2HE LYS 7 13.658 0.360 -4.198
54 1HZ LYS 7 1HZ LYS 7 14.453 2.321 -6.283
55 2HZ LYS 7 2HZ LYS 7 15.137 0.784 -6.071
56 3HZ LYS 7 3HZ LYS 7 15.320 1.968 -4.871
57 H CYS 8 H CYS 8 8.907 2.094 -1.685
58 HA CYS 8 HA CYS 8 8.124 4.851 -2.293
59 1HB CYS 8 1HB CYS 8 6.330 4.604 -0.515
60 2HB CYS 8 2HB CYS 8 6.018 3.757 -2.029
61 H SER 9 H SER 9 8.635 6.334 -0.681
62 HA SER 9 HA SER 9 10.439 5.384 1.397
63 1HB SER 9 1HB SER 9 10.748 7.907 1.739
64 2HB SER 9 2HB SER 9 11.309 7.248 0.201
65 HG SER 9 HG SER 9 10.109 9.077 -0.233
66 H GLY 10 H GLY 10 7.584 7.472 1.063
67 1HA GLY 10 1HA GLY 10 6.955 7.035 3.898
68 2HA GLY 10 2HA GLY 10 6.259 8.284 2.872
69 H SER 11 H SER 11 5.485 5.607 4.468
70 HA SER 11 HA SER 11 4.173 3.924 2.647
71 1HB SER 11 1HB SER 11 3.507 4.431 5.562
72 2HB SER 11 2HB SER 11 3.022 3.022 4.619
73 HG SER 11 HG SER 11 5.087 3.083 6.049
74 H SER 12 H SER 12 3.317 7.007 3.873
75 HA SER 12 HA SER 12 0.545 6.676 4.164
76 1HB SER 12 1HB SER 12 1.825 8.408 5.334
77 2HB SER 12 2HB SER 12 2.131 9.222 3.800
78 HG SER 12 HG SER 12 -0.349 8.849 5.126
79 H LYS 13 H LYS 13 2.467 7.545 1.366
80 HA LYS 13 HA LYS 13 0.350 8.808 -0.040
81 1HB LYS 13 1HB LYS 13 2.937 7.619 -1.007
82 2HB LYS 13 2HB LYS 13 1.788 8.427 -2.069
83 1HG LYS 13 1HG LYS 13 2.001 10.435 -0.545
84 2HG LYS 13 2HG LYS 13 3.367 9.604 0.202
85 1HD LYS 13 1HD LYS 13 3.124 10.305 -2.722
86 2HD LYS 13 2HD LYS 13 4.073 11.199 -1.533
87 1HE LYS 13 1HE LYS 13 5.447 9.208 -1.145
88 2HE LYS 13 2HE LYS 13 4.496 8.324 -2.340
89 1HZ LYS 13 1HZ LYS 13 6.553 9.155 -3.300
90 2HZ LYS 13 2HZ LYS 13 6.132 10.748 -2.879
91 3HZ LYS 13 3HZ LYS 13 5.212 9.905 -4.028
92 H CYS 14 H CYS 14 0.975 5.540 0.604
93 HA CYS 14 HA CYS 14 -0.597 4.714 -1.719
94 1HB CYS 14 1HB CYS 14 1.214 3.200 0.134
95 2HB CYS 14 2HB CYS 14 0.135 2.396 -1.005
96 H VAL 15 H VAL 15 -0.563 4.509 1.806
97 HA VAL 15 HA VAL 15 -2.709 2.745 2.084
98 HB VAL 15 HB VAL 15 -1.471 3.094 4.019
99 1HG1 VAL 15 1HG1 VAL 15 -0.495 5.214 3.281
100 2HG1 VAL 15 2HG1 VAL 15 -1.961 6.047 3.799
101 3HG1 VAL 15 3HG1 VAL 15 -0.952 5.224 4.990
102 1HG2 VAL 15 1HG2 VAL 15 -3.854 2.948 4.522
103 2HG2 VAL 15 2HG2 VAL 15 -3.018 3.962 5.698
104 3HG2 VAL 15 3HG2 VAL 15 -3.990 4.704 4.428
105 H LYS 16 H LYS 16 -2.685 6.227 1.559
106 HA LYS 16 HA LYS 16 -5.477 6.558 2.033
107 1HB LYS 16 1HB LYS 16 -5.181 8.782 1.004
108 2HB LYS 16 2HB LYS 16 -3.987 8.457 2.251
109 1HG LYS 16 1HG LYS 16 -2.281 8.077 0.636
110 2HG LYS 16 2HG LYS 16 -3.449 8.102 -0.688
111 1HD LYS 16 1HD LYS 16 -2.722 10.426 1.101
112 2HD LYS 16 2HD LYS 16 -2.219 10.205 -0.578
113 1HE LYS 16 1HE LYS 16 -4.625 10.213 -1.228
114 2HE LYS 16 2HE LYS 16 -5.029 10.598 0.446
115 1HZ LYS 16 1HZ LYS 16 -3.452 12.259 -1.443
116 2HZ LYS 16 2HZ LYS 16 -3.626 12.608 0.206
117 3HZ LYS 16 3HZ LYS 16 -4.987 12.605 -0.806
118 H ILE 17 H ILE 17 -3.530 5.966 -0.868
119 HA ILE 17 HA ILE 17 -5.843 6.357 -2.571
120 HB ILE 17 HB ILE 17 -3.673 7.188 -3.314
121 1HG1 ILE 17 1HG1 ILE 17 -3.856 6.481 -5.604
122 2HG1 ILE 17 2HG1 ILE 17 -4.609 4.962 -5.123
123 1HG2 ILE 17 1HG2 ILE 17 -2.859 4.299 -3.440
124 2HG2 ILE 17 2HG2 ILE 17 -1.943 5.644 -4.127
125 3HG2 ILE 17 3HG2 ILE 17 -2.187 5.544 -2.383
126 1HD1 ILE 17 1HD1 ILE 17 -6.578 6.158 -4.357
127 2HD1 ILE 17 2HD1 ILE 17 -5.820 7.696 -4.781
128 3HD1 ILE 17 3HD1 ILE 17 -6.230 6.536 -6.047
129 H CYS 18 H CYS 18 -3.919 3.718 -1.361
130 HA CYS 18 HA CYS 18 -4.840 1.640 -2.973
131 1HB CYS 18 1HB CYS 18 -3.018 1.370 -1.379
132 2HB CYS 18 2HB CYS 18 -4.117 1.582 -0.032
133 H ILE 19 H ILE 19 -6.390 3.347 -0.391
134 HA ILE 19 HA ILE 19 -8.569 1.686 0.137
135 HB ILE 19 HB ILE 19 -8.477 4.707 0.132
136 1HG1 ILE 19 1HG1 ILE 19 -8.138 2.743 2.405
137 2HG1 ILE 19 2HG1 ILE 19 -6.826 3.620 1.624
138 1HG2 ILE 19 1HG2 ILE 19 -10.777 3.876 0.063
139 2HG2 ILE 19 2HG2 ILE 19 -10.448 2.847 1.460
140 3HG2 ILE 19 3HG2 ILE 19 -10.405 4.604 1.629
141 1HD1 ILE 19 1HD1 ILE 19 -9.105 4.850 3.159
142 2HD1 ILE 19 2HD1 ILE 19 -7.449 4.647 3.735
143 3HD1 ILE 19 3HD1 ILE 19 -7.788 5.729 2.382
144 H ASP 20 H ASP 20 -8.066 4.053 -2.422
145 HA ASP 20 HA ASP 20 -10.787 3.774 -3.385
146 1HB ASP 20 1HB ASP 20 -9.752 5.978 -3.441
147 2HB ASP 20 2HB ASP 20 -8.438 5.366 -4.440
148 H ARG 21 H ARG 21 -7.675 2.472 -3.987
149 HA ARG 21 HA ARG 21 -8.200 1.530 -6.643
150 1HB ARG 21 1HB ARG 21 -6.084 0.732 -4.640
151 2HB ARG 21 2HB ARG 21 -6.128 0.205 -6.313
152 1HG ARG 21 1HG ARG 21 -5.856 2.508 -7.059
153 2HG ARG 21 2HG ARG 21 -5.827 3.041 -5.371
154 1HD ARG 21 1HD ARG 21 -3.842 1.748 -4.951
155 2HD ARG 21 2HD ARG 21 -3.884 1.084 -6.583
156 HE ARG 21 HE ARG 21 -3.780 3.833 -6.869
157 1HH1 ARG 21 2HH1 ARG 21 -1.787 1.265 -5.580
158 2HH1 ARG 21 1HH1 ARG 21 -0.297 2.150 -5.746
159 1HH2 ARG 21 2HH2 ARG 21 -1.817 4.999 -7.137
160 2HH2 ARG 21 1HH2 ARG 21 -0.314 4.259 -6.658
161 H TYR 22 H TYR 22 -7.932 -0.063 -3.468
162 HA TYR 22 HA TYR 22 -9.225 -2.401 -4.682
163 1HB TYR 22 1HB TYR 22 -7.444 -2.281 -2.236
164 2HB TYR 22 2HB TYR 22 -8.134 -3.739 -2.945
165 HD1 TYR 22 1HD TYR 22 -5.502 -1.240 -3.191
166 HD2 TYR 22 2HD TYR 22 -7.354 -4.525 -5.163
167 HE1 TYR 22 1HE TYR 22 -3.585 -1.397 -4.713
168 HE2 TYR 22 2HE TYR 22 -5.431 -4.699 -6.682
169 HH TYR 22 HH TYR 22 -3.651 -3.252 -7.557
170 H ASN 23 H ASN 23 -8.993 -2.404 -1.291
171 HA ASN 23 HA ASN 23 -11.542 -1.184 -0.784
172 1HB ASN 23 1HB ASN 23 -12.770 -3.176 -0.191
173 2HB ASN 23 2HB ASN 23 -12.169 -3.362 -1.836
174 1HD2 ASN 23 1HD2 ASN 23 -12.028 -4.509 1.414
175 2HD2 ASN 23 2HD2 ASN 23 -11.043 -5.897 1.103
176 H THR 24 H THR 24 -8.678 -1.333 0.174
177 HA THR 24 HA THR 24 -9.207 -2.114 2.958
178 HB THR 24 HB THR 24 -7.727 -3.763 2.098
179 HG1 THR 24 1HG THR 24 -6.369 -3.604 3.721
180 1HG2 THR 24 1HG2 THR 24 -7.020 -2.561 0.087
181 2HG2 THR 24 2HG2 THR 24 -5.648 -3.253 0.949
182 3HG2 THR 24 3HG2 THR 24 -5.986 -1.526 1.072
183 H ARG 25 H ARG 25 -7.695 -1.066 4.510
184 HA ARG 25 HA ARG 25 -7.248 1.749 3.759
185 1HB ARG 25 1HB ARG 25 -8.182 2.460 5.879
186 2HB ARG 25 2HB ARG 25 -9.365 1.453 5.054
187 1HG ARG 25 1HG ARG 25 -7.509 0.425 7.194
188 2HG ARG 25 2HG ARG 25 -9.133 1.032 7.516
189 1HD ARG 25 1HD ARG 25 -10.138 -0.795 6.620
190 2HD ARG 25 2HD ARG 25 -8.881 -1.026 5.403
191 HE ARG 25 HE ARG 25 -7.939 -1.604 8.042
192 1HH1 ARG 25 2HH1 ARG 25 -9.912 -2.908 5.449
193 2HH1 ARG 25 1HH1 ARG 25 -9.488 -4.562 5.790
194 1HH2 ARG 25 2HH2 ARG 25 -7.375 -3.763 8.478
195 2HH2 ARG 25 1HH2 ARG 25 -8.005 -5.048 7.484
196 H GLY 26 H GLY 26 -5.743 -0.972 4.600
197 1HA GLY 26 1HA GLY 26 -3.938 0.365 6.521
198 2HA GLY 26 2HA GLY 26 -4.333 -1.344 6.599
199 H ALA 27 H ALA 27 -2.913 1.053 4.387
200 HA ALA 27 HA ALA 27 -1.199 -1.077 3.330
201 1HB ALA 27 1HB ALA 27 -0.621 0.446 1.538
202 2HB ALA 27 2HB ALA 27 -2.376 0.375 1.698
203 3HB ALA 27 3HB ALA 27 -1.486 1.760 2.331
204 H LYS 28 H LYS 28 1.004 -0.963 3.401
205 HA LYS 28 HA LYS 28 2.276 1.213 4.861
206 1HB LYS 28 1HB LYS 28 1.631 -0.307 6.647
207 2HB LYS 28 2HB LYS 28 2.322 -1.670 5.777
208 1HG LYS 28 1HG LYS 28 4.551 -0.667 6.008
209 2HG LYS 28 2HG LYS 28 3.840 0.660 6.929
210 1HD LYS 28 1HD LYS 28 3.100 -0.894 8.638
211 2HD LYS 28 2HD LYS 28 3.723 -2.253 7.698
212 1HE LYS 28 1HE LYS 28 5.985 -1.387 7.914
213 2HE LYS 28 2HE LYS 28 5.380 0.017 8.794
214 1HZ LYS 28 1HZ LYS 28 4.625 -1.433 10.554
215 2HZ LYS 28 2HZ LYS 28 6.282 -1.674 10.281
216 3HZ LYS 28 3HZ LYS 28 5.152 -2.804 9.705
217 H CYS 29 H CYS 29 4.376 1.504 4.267
218 HA CYS 29 HA CYS 29 5.392 -0.035 2.061
219 1HB CYS 29 1HB CYS 29 6.460 2.290 3.665
220 2HB CYS 29 2HB CYS 29 7.382 1.529 2.385
221 H ILE 30 H ILE 30 6.027 -2.047 2.559
222 HA ILE 30 HA ILE 30 7.213 -2.516 5.195
223 HB ILE 30 HB ILE 30 5.272 -3.847 4.758
224 1HG1 ILE 30 1HG1 ILE 30 6.215 -6.150 4.942
225 2HG1 ILE 30 2HG1 ILE 30 7.800 -5.486 4.557
226 1HG2 ILE 30 1HG2 ILE 30 4.961 -5.303 2.912
227 2HG2 ILE 30 2HG2 ILE 30 5.450 -3.742 2.252
228 3HG2 ILE 30 3HG2 ILE 30 6.614 -5.066 2.349
229 1HD1 ILE 30 1HD1 ILE 30 6.121 -4.774 6.950
230 2HD1 ILE 30 2HD1 ILE 30 7.541 -5.817 6.944
231 3HD1 ILE 30 3HD1 ILE 30 7.707 -4.103 6.568
232 H ASN 31 H ASN 31 7.712 -3.926 1.953
233 HA ASN 31 HA ASN 31 10.515 -4.391 2.637
234 1HB ASN 31 1HB ASN 31 8.784 -5.404 0.362
235 2HB ASN 31 2HB ASN 31 10.497 -5.771 0.532
236 1HD2 ASN 31 1HD2 ASN 31 8.146 -7.544 0.533
237 2HD2 ASN 31 2HD2 ASN 31 8.237 -8.419 2.025
238 H GLY 32 H GLY 32 9.626 -1.768 2.227
239 1HA GLY 32 1HA GLY 32 10.431 0.107 1.129
240 2HA GLY 32 2HA GLY 32 11.231 -0.950 -0.029
241 H ARG 33 H ARG 33 8.084 -1.958 0.314
242 HA ARG 33 HA ARG 33 7.136 -0.256 -1.892
243 1HB ARG 33 1HB ARG 33 6.229 -3.095 -1.774
244 2HB ARG 33 2HB ARG 33 6.409 -2.023 -3.163
245 1HG ARG 33 1HG ARG 33 8.748 -3.150 -1.672
246 2HG ARG 33 2HG ARG 33 7.983 -3.972 -3.038
247 1HD ARG 33 1HD ARG 33 8.324 -1.922 -4.403
248 2HD ARG 33 2HD ARG 33 9.215 -1.222 -3.051
249 HE ARG 33 HE ARG 33 10.882 -2.974 -3.330
250 1HH1 ARG 33 2HH1 ARG 33 8.652 -2.470 -5.995
251 2HH1 ARG 33 1HH1 ARG 33 9.726 -3.147 -7.180
252 1HH2 ARG 33 2HH2 ARG 33 12.284 -3.833 -4.888
253 2HH2 ARG 33 1HH2 ARG 33 11.788 -3.918 -6.551
254 H CYS 34 H CYS 34 4.822 -0.111 -2.055
255 HA CYS 34 HA CYS 34 3.532 0.009 0.502
256 1HB CYS 34 1HB CYS 34 2.222 0.340 -2.194
257 2HB CYS 34 2HB CYS 34 1.692 1.003 -0.651
258 H THR 35 H THR 35 2.826 -1.794 1.444
259 HA THR 35 HA THR 35 1.328 -3.696 -0.229
260 HB THR 35 HB THR 35 2.759 -4.242 2.383
261 HG1 THR 35 1HG THR 35 3.476 -4.483 -0.317
262 1HG2 THR 35 1HG2 THR 35 0.794 -5.666 2.085
263 2HG2 THR 35 2HG2 THR 35 2.278 -6.599 1.893
264 3HG2 THR 35 3HG2 THR 35 1.351 -6.116 0.472
265 H CYS 36 H CYS 36 -0.759 -3.919 0.197
266 HA CYS 36 HA CYS 36 -1.878 -2.471 2.485
267 1HB CYS 36 1HB CYS 36 -3.294 -3.594 0.069
268 2HB CYS 36 2HB CYS 36 -3.970 -2.502 1.274
269 H TYR 37 H TYR 37 -2.733 -3.482 4.138
270 HA TYR 37 HA TYR 37 -3.113 -6.394 3.977
271 1HB TYR 37 1HB TYR 37 -2.610 -4.691 6.425
272 2HB TYR 37 2HB TYR 37 -2.707 -6.446 6.379
273 HD1 TYR 37 1HD TYR 37 -0.674 -3.533 5.307
274 HD2 TYR 37 2HD TYR 37 -0.819 -7.760 5.831
275 HE1 TYR 37 1HE TYR 37 1.761 -3.656 4.988
276 HE2 TYR 37 2HE TYR 37 1.612 -7.886 5.505
277 HH TYR 37 HH TYR 37 3.408 -6.617 4.497
278 HA PRO 38 HA PRO 38 -7.385 -4.901 4.634
279 1HB PRO 38 1HB PRO 38 -8.071 -7.259 3.035
280 2HB PRO 38 2HB PRO 38 -8.414 -5.556 2.712
281 1HG PRO 38 1HG PRO 38 -6.645 -6.914 1.217
282 2HG PRO 38 2HG PRO 38 -6.376 -5.205 1.645
283 1HD PRO 38 1HD PRO 38 -5.259 -7.664 2.981
284 2HD PRO 38 2HD PRO 38 -4.397 -6.219 2.397
Start of MODEL 7
1 HN PCA 1 H PCA 1 -3.436 -9.575 1.182
2 HA PCA 1 HA PCA 1 -1.513 -7.941 2.086
3 1HB PCA 1 1HB PCA 1 0.430 -9.112 2.371
4 2HB PCA 1 2HB PCA 1 0.242 -9.956 0.822
5 1HG PCA 1 1HG PCA 1 -0.564 -10.759 3.516
6 2HG PCA 1 2HG PCA 1 -0.320 -11.747 2.056
7 H ILE 2 H ILE 2 -2.264 -6.554 0.561
8 HA ILE 2 HA ILE 2 -2.075 -7.069 -2.260
9 HB ILE 2 HB ILE 2 -2.693 -4.570 -0.684
10 1HG1 ILE 2 1HG1 ILE 2 -4.426 -6.291 -0.596
11 2HG1 ILE 2 2HG1 ILE 2 -4.977 -4.893 -1.509
12 1HG2 ILE 2 1HG2 ILE 2 -2.653 -4.926 -3.669
13 2HG2 ILE 2 2HG2 ILE 2 -3.418 -3.570 -2.836
14 3HG2 ILE 2 3HG2 ILE 2 -1.676 -3.819 -2.699
15 1HD1 ILE 2 1HD1 ILE 2 -4.544 -6.100 -3.595
16 2HD1 ILE 2 2HD1 ILE 2 -4.013 -7.501 -2.663
17 3HD1 ILE 2 3HD1 ILE 2 -5.686 -6.953 -2.555
18 H ASP 3 H ASP 3 0.038 -7.381 -2.880
19 HA ASP 3 HA ASP 3 1.988 -5.340 -2.186
20 1HB ASP 3 1HB ASP 3 2.160 -7.986 -3.585
21 2HB ASP 3 2HB ASP 3 3.442 -6.798 -3.798
22 H THR 4 H THR 4 1.573 -3.520 -3.194
23 HA THR 4 HA THR 4 0.460 -3.354 -5.814
24 HB THR 4 HB THR 4 0.981 -0.893 -5.557
25 HG1 THR 4 1HG THR 4 1.630 -1.504 -2.864
26 1HG2 THR 4 1HG2 THR 4 -1.187 -1.799 -4.884
27 2HG2 THR 4 2HG2 THR 4 -0.674 -0.527 -3.776
28 3HG2 THR 4 3HG2 THR 4 -0.532 -2.220 -3.300
29 H ASN 5 H ASN 5 3.558 -3.927 -4.688
30 HA ASN 5 HA ASN 5 5.639 -3.950 -5.590
31 1HB ASN 5 1HB ASN 5 3.860 -4.782 -7.600
32 2HB ASN 5 2HB ASN 5 4.943 -3.641 -8.394
33 1HD2 ASN 5 1HD2 ASN 5 4.654 -6.567 -8.651
34 2HD2 ASN 5 2HD2 ASN 5 6.235 -7.212 -8.336
35 H VAL 6 H VAL 6 4.987 -1.620 -4.619
36 HA VAL 6 HA VAL 6 5.743 0.405 -6.607
37 HB VAL 6 HB VAL 6 3.832 0.666 -4.279
38 1HG1 VAL 6 1HG1 VAL 6 5.217 2.673 -4.423
39 2HG1 VAL 6 2HG1 VAL 6 4.859 2.809 -6.147
40 3HG1 VAL 6 3HG1 VAL 6 3.571 3.015 -4.961
41 1HG2 VAL 6 1HG2 VAL 6 3.441 0.991 -7.250
42 2HG2 VAL 6 2HG2 VAL 6 2.847 -0.339 -6.255
43 3HG2 VAL 6 3HG2 VAL 6 2.215 1.291 -6.017
44 H LYS 7 H LYS 7 7.849 0.642 -6.173
45 HA LYS 7 HA LYS 7 9.150 0.636 -3.728
46 1HB LYS 7 1HB LYS 7 9.852 2.505 -5.994
47 2HB LYS 7 2HB LYS 7 10.941 1.775 -4.824
48 1HG LYS 7 1HG LYS 7 10.680 -0.382 -5.828
49 2HG LYS 7 2HG LYS 7 9.406 0.218 -6.892
50 1HD LYS 7 1HD LYS 7 12.298 1.092 -6.917
51 2HD LYS 7 2HD LYS 7 11.529 0.021 -8.089
52 1HE LYS 7 1HE LYS 7 10.730 2.886 -7.569
53 2HE LYS 7 2HE LYS 7 11.751 2.346 -8.901
54 1HZ LYS 7 1HZ LYS 7 9.346 2.679 -9.454
55 2HZ LYS 7 2HZ LYS 7 8.988 1.340 -8.479
56 3HZ LYS 7 3HZ LYS 7 9.965 1.153 -9.850
57 H CYS 8 H CYS 8 8.979 1.962 -1.999
58 HA CYS 8 HA CYS 8 7.897 4.665 -2.426
59 1HB CYS 8 1HB CYS 8 6.530 4.250 -0.321
60 2HB CYS 8 2HB CYS 8 6.001 3.409 -1.776
61 H SER 9 H SER 9 8.271 6.160 -0.732
62 HA SER 9 HA SER 9 10.279 5.338 1.265
63 1HB SER 9 1HB SER 9 9.894 8.092 0.063
64 2HB SER 9 2HB SER 9 11.128 7.630 1.238
65 HG SER 9 HG SER 9 11.407 5.923 -0.697
66 H GLY 10 H GLY 10 7.141 6.000 0.798
67 1HA GLY 10 1HA GLY 10 6.717 6.707 3.590
68 2HA GLY 10 2HA GLY 10 6.053 7.807 2.388
69 H SER 11 H SER 11 4.783 5.969 4.399
70 HA SER 11 HA SER 11 3.454 3.998 2.720
71 1HB SER 11 1HB SER 11 2.975 4.590 5.646
72 2HB SER 11 2HB SER 11 2.544 3.127 4.761
73 HG SER 11 HG SER 11 5.102 4.047 5.530
74 H SER 12 H SER 12 2.885 7.137 4.017
75 HA SER 12 HA SER 12 0.130 7.018 4.485
76 1HB SER 12 1HB SER 12 1.557 8.774 5.412
77 2HB SER 12 2HB SER 12 1.837 9.420 3.796
78 HG SER 12 HG SER 12 -0.089 10.316 3.797
79 H LYS 13 H LYS 13 1.920 8.014 1.581
80 HA LYS 13 HA LYS 13 -0.334 8.875 0.126
81 1HB LYS 13 1HB LYS 13 2.305 7.774 -0.850
82 2HB LYS 13 2HB LYS 13 1.107 8.552 -1.879
83 1HG LYS 13 1HG LYS 13 2.550 9.840 0.436
84 2HG LYS 13 2HG LYS 13 2.909 10.081 -1.274
85 1HD LYS 13 1HD LYS 13 0.268 10.729 0.029
86 2HD LYS 13 2HD LYS 13 1.547 11.906 -0.276
87 1HE LYS 13 1HE LYS 13 0.174 10.250 -2.392
88 2HE LYS 13 2HE LYS 13 -0.227 11.923 -2.003
89 1HZ LYS 13 1HZ LYS 13 2.418 10.977 -2.976
90 2HZ LYS 13 2HZ LYS 13 1.990 12.586 -2.645
91 3HZ LYS 13 3HZ LYS 13 1.244 11.754 -3.922
92 H CYS 14 H CYS 14 0.951 5.719 0.763
93 HA CYS 14 HA CYS 14 -0.532 4.475 -1.381
94 1HB CYS 14 1HB CYS 14 1.226 3.381 0.796
95 2HB CYS 14 2HB CYS 14 0.365 2.352 -0.348
96 H VAL 15 H VAL 15 -0.667 4.529 2.163
97 HA VAL 15 HA VAL 15 -2.673 2.596 2.430
98 HB VAL 15 HB VAL 15 -1.409 3.175 4.350
99 1HG1 VAL 15 1HG1 VAL 15 -1.378 5.366 5.342
100 2HG1 VAL 15 2HG1 VAL 15 -0.875 5.444 3.648
101 3HG1 VAL 15 3HG1 VAL 15 -2.498 5.963 4.115
102 1HG2 VAL 15 1HG2 VAL 15 -3.123 3.704 6.016
103 2HG2 VAL 15 2HG2 VAL 15 -4.214 4.216 4.731
104 3HG2 VAL 15 3HG2 VAL 15 -3.706 2.528 4.839
105 H LYS 16 H LYS 16 -2.901 6.062 1.783
106 HA LYS 16 HA LYS 16 -5.752 6.086 2.152
107 1HB LYS 16 1HB LYS 16 -5.698 8.373 1.450
108 2HB LYS 16 2HB LYS 16 -4.314 8.105 2.496
109 1HG LYS 16 1HG LYS 16 -2.812 8.115 0.666
110 2HG LYS 16 2HG LYS 16 -4.133 8.042 -0.501
111 1HD LYS 16 1HD LYS 16 -4.898 10.268 0.376
112 2HD LYS 16 2HD LYS 16 -3.406 10.338 1.312
113 1HE LYS 16 1HE LYS 16 -2.088 10.244 -0.718
114 2HE LYS 16 2HE LYS 16 -3.547 10.052 -1.688
115 1HZ LYS 16 1HZ LYS 16 -2.832 12.433 -0.061
116 2HZ LYS 16 2HZ LYS 16 -4.265 12.251 -0.950
117 3HZ LYS 16 3HZ LYS 16 -2.772 12.326 -1.755
118 H ILE 17 H ILE 17 -3.552 5.712 -0.576
119 HA ILE 17 HA ILE 17 -5.711 6.042 -2.478
120 HB ILE 17 HB ILE 17 -3.365 6.857 -2.894
121 1HG1 ILE 17 1HG1 ILE 17 -3.511 6.484 -5.255
122 2HG1 ILE 17 2HG1 ILE 17 -4.400 4.981 -5.018
123 1HG2 ILE 17 1HG2 ILE 17 -2.853 3.937 -3.394
124 2HG2 ILE 17 2HG2 ILE 17 -1.766 5.252 -3.845
125 3HG2 ILE 17 3HG2 ILE 17 -2.113 4.940 -2.143
126 1HD1 ILE 17 1HD1 ILE 17 -6.299 6.231 -4.157
127 2HD1 ILE 17 2HD1 ILE 17 -5.409 7.742 -4.376
128 3HD1 ILE 17 3HD1 ILE 17 -5.855 6.770 -5.779
129 H CYS 18 H CYS 18 -4.055 3.479 -0.897
130 HA CYS 18 HA CYS 18 -4.734 1.372 -2.640
131 1HB CYS 18 1HB CYS 18 -3.094 1.043 -0.884
132 2HB CYS 18 2HB CYS 18 -4.295 1.332 0.363
133 H ILE 19 H ILE 19 -6.623 3.263 -0.491
134 HA ILE 19 HA ILE 19 -8.826 1.459 -0.285
135 HB ILE 19 HB ILE 19 -8.805 4.457 0.093
136 1HG1 ILE 19 1HG1 ILE 19 -8.489 2.250 2.141
137 2HG1 ILE 19 2HG1 ILE 19 -7.191 3.287 1.560
138 1HG2 ILE 19 1HG2 ILE 19 -10.814 4.095 1.434
139 2HG2 ILE 19 2HG2 ILE 19 -11.047 3.548 -0.227
140 3HG2 ILE 19 3HG2 ILE 19 -10.762 2.372 1.057
141 1HD1 ILE 19 1HD1 ILE 19 -7.983 4.018 3.723
142 2HD1 ILE 19 2HD1 ILE 19 -8.340 5.232 2.494
143 3HD1 ILE 19 3HD1 ILE 19 -9.622 4.177 3.091
144 H ASP 20 H ASP 20 -7.809 3.929 -2.517
145 HA ASP 20 HA ASP 20 -10.346 3.978 -3.922
146 1HB ASP 20 1HB ASP 20 -9.178 6.064 -3.864
147 2HB ASP 20 2HB ASP 20 -7.681 5.312 -4.406
148 H ARG 21 H ARG 21 -7.060 2.807 -4.451
149 HA ARG 21 HA ARG 21 -7.538 1.757 -7.045
150 1HB ARG 21 1HB ARG 21 -5.410 1.100 -5.002
151 2HB ARG 21 2HB ARG 21 -5.407 0.507 -6.658
152 1HG ARG 21 1HG ARG 21 -5.198 2.744 -7.515
153 2HG ARG 21 2HG ARG 21 -5.370 3.413 -5.888
154 1HD ARG 21 1HD ARG 21 -3.303 2.381 -5.204
155 2HD ARG 21 2HD ARG 21 -3.131 1.595 -6.774
156 HE ARG 21 HE ARG 21 -3.354 4.389 -7.130
157 1HH1 ARG 21 2HH1 ARG 21 -1.078 1.937 -6.080
158 2HH1 ARG 21 1HH1 ARG 21 0.315 2.928 -6.380
159 1HH2 ARG 21 2HH2 ARG 21 -1.520 5.683 -7.536
160 2HH2 ARG 21 1HH2 ARG 21 0.064 5.044 -7.202
161 H TYR 22 H TYR 22 -7.706 0.372 -3.795
162 HA TYR 22 HA TYR 22 -8.968 -1.991 -5.006
163 1HB TYR 22 1HB TYR 22 -7.289 -1.946 -2.485
164 2HB TYR 22 2HB TYR 22 -8.045 -3.362 -3.213
165 HD1 TYR 22 1HD TYR 22 -7.189 -4.264 -5.344
166 HD2 TYR 22 2HD TYR 22 -5.252 -1.051 -3.346
167 HE1 TYR 22 1HE TYR 22 -5.183 -4.627 -6.717
168 HE2 TYR 22 2HE TYR 22 -3.240 -1.401 -4.710
169 HH TYR 22 HH TYR 22 -3.217 -3.422 -7.474
170 H ASN 23 H ASN 23 -8.843 -1.987 -1.639
171 HA ASN 23 HA ASN 23 -11.115 -0.314 -1.127
172 1HB ASN 23 1HB ASN 23 -12.096 -2.402 -2.174
173 2HB ASN 23 2HB ASN 23 -11.519 -3.284 -0.763
174 1HD2 ASN 23 1HD2 ASN 23 -13.767 -0.890 -1.934
175 2HD2 ASN 23 2HD2 ASN 23 -14.800 -0.900 -0.543
176 H THR 24 H THR 24 -8.288 -1.428 -0.150
177 HA THR 24 HA THR 24 -9.105 -2.044 2.588
178 HB THR 24 HB THR 24 -7.984 -3.927 1.927
179 HG1 THR 24 1HG THR 24 -6.162 -3.961 3.142
180 1HG2 THR 24 1HG2 THR 24 -7.295 -3.152 -0.269
181 2HG2 THR 24 2HG2 THR 24 -5.964 -3.978 0.545
182 3HG2 THR 24 3HG2 THR 24 -5.985 -2.215 0.457
183 H ARG 25 H ARG 25 -7.687 -1.343 4.308
184 HA ARG 25 HA ARG 25 -6.852 1.431 3.775
185 1HB ARG 25 1HB ARG 25 -7.685 1.692 6.249
186 2HB ARG 25 2HB ARG 25 -8.823 1.732 4.914
187 1HG ARG 25 1HG ARG 25 -9.573 0.387 6.874
188 2HG ARG 25 2HG ARG 25 -9.541 -0.502 5.354
189 1HD ARG 25 1HD ARG 25 -7.491 -1.607 5.974
190 2HD ARG 25 2HD ARG 25 -7.346 -0.608 7.425
191 HE ARG 25 HE ARG 25 -9.584 -1.744 8.035
192 1HH1 ARG 25 2HH1 ARG 25 -6.896 -3.268 6.361
193 2HH1 ARG 25 1HH1 ARG 25 -7.319 -4.872 6.881
194 1HH2 ARG 25 2HH2 ARG 25 -10.110 -3.851 8.742
195 2HH2 ARG 25 1HH2 ARG 25 -9.139 -5.201 8.229
196 H GLY 26 H GLY 26 -5.248 -1.186 4.225
197 1HA GLY 26 1HA GLY 26 -3.716 -0.198 6.556
198 2HA GLY 26 2HA GLY 26 -4.073 -1.902 6.343
199 H ALA 27 H ALA 27 -2.738 0.690 4.269
200 HA ALA 27 HA ALA 27 -0.794 -1.278 3.302
201 1HB ALA 27 1HB ALA 27 -0.345 0.319 1.496
202 2HB ALA 27 2HB ALA 27 -2.061 -0.079 1.596
203 3HB ALA 27 3HB ALA 27 -1.474 1.459 2.226
204 H LYS 28 H LYS 28 1.272 -1.199 3.776
205 HA LYS 28 HA LYS 28 2.359 1.250 4.983
206 1HB LYS 28 1HB LYS 28 1.958 -0.244 6.834
207 2HB LYS 28 2HB LYS 28 2.720 -1.582 5.986
208 1HG LYS 28 1HG LYS 28 4.871 -0.474 6.111
209 2HG LYS 28 2HG LYS 28 4.128 0.919 6.898
210 1HD LYS 28 1HD LYS 28 3.564 -0.411 8.827
211 2HD LYS 28 2HD LYS 28 4.113 -1.883 8.025
212 1HE LYS 28 1HE LYS 28 6.390 -1.060 7.992
213 2HE LYS 28 2HE LYS 28 5.873 0.476 8.685
214 1HZ LYS 28 1HZ LYS 28 6.885 -1.206 10.258
215 2HZ LYS 28 2HZ LYS 28 5.456 -2.102 10.086
216 3HZ LYS 28 3HZ LYS 28 5.404 -0.532 10.729
217 H CYS 29 H CYS 29 4.375 1.798 4.367
218 HA CYS 29 HA CYS 29 5.600 0.353 2.183
219 1HB CYS 29 1HB CYS 29 5.510 2.872 2.351
220 2HB CYS 29 2HB CYS 29 6.623 2.765 3.709
221 H ILE 30 H ILE 30 6.394 -1.578 2.947
222 HA ILE 30 HA ILE 30 7.984 -1.469 5.421
223 HB ILE 30 HB ILE 30 5.949 -2.566 5.932
224 1HG1 ILE 30 1HG1 ILE 30 6.717 -4.888 6.487
225 2HG1 ILE 30 2HG1 ILE 30 8.170 -4.572 5.546
226 1HG2 ILE 30 1HG2 ILE 30 5.196 -3.110 3.687
227 2HG2 ILE 30 2HG2 ILE 30 6.400 -4.394 3.581
228 3HG2 ILE 30 3HG2 ILE 30 5.084 -4.512 4.752
229 1HD1 ILE 30 1HD1 ILE 30 7.295 -3.051 7.991
230 2HD1 ILE 30 2HD1 ILE 30 8.560 -4.276 7.925
231 3HD1 ILE 30 3HD1 ILE 30 8.763 -2.756 7.056
232 H ASN 31 H ASN 31 7.532 -3.598 2.568
233 HA ASN 31 HA ASN 31 10.313 -4.451 2.877
234 1HB ASN 31 1HB ASN 31 8.301 -6.052 2.485
235 2HB ASN 31 2HB ASN 31 8.395 -5.517 0.812
236 1HD2 ASN 31 1HD2 ASN 31 10.150 -6.152 -0.448
237 2HD2 ASN 31 2HD2 ASN 31 11.235 -7.410 0.039
238 H GLY 32 H GLY 32 9.992 -1.829 2.121
239 1HA GLY 32 1HA GLY 32 10.948 -0.375 0.617
240 2HA GLY 32 2HA GLY 32 11.379 -1.752 -0.393
241 H ARG 33 H ARG 33 8.216 -2.118 0.245
242 HA ARG 33 HA ARG 33 7.229 -0.294 -1.799
243 1HB ARG 33 1HB ARG 33 6.186 -1.951 -3.096
244 2HB ARG 33 2HB ARG 33 7.825 -2.534 -2.834
245 1HG ARG 33 1HG ARG 33 7.123 -4.101 -1.221
246 2HG ARG 33 2HG ARG 33 5.523 -3.365 -1.094
247 1HD ARG 33 1HD ARG 33 5.183 -5.247 -2.392
248 2HD ARG 33 2HD ARG 33 5.265 -3.933 -3.559
249 HE ARG 33 HE ARG 33 7.575 -4.650 -4.023
250 1HH1 ARG 33 2HH1 ARG 33 5.445 -6.887 -2.373
251 2HH1 ARG 33 1HH1 ARG 33 6.258 -8.311 -2.958
252 1HH2 ARG 33 2HH2 ARG 33 8.666 -6.530 -4.802
253 2HH2 ARG 33 1HH2 ARG 33 8.089 -8.104 -4.327
254 H CYS 34 H CYS 34 4.828 -0.272 -1.841
255 HA CYS 34 HA CYS 34 3.810 -0.281 0.855
256 1HB CYS 34 1HB CYS 34 2.438 0.420 -1.745
257 2HB CYS 34 2HB CYS 34 1.806 0.754 -0.130
258 H THR 35 H THR 35 3.308 -2.224 1.654
259 HA THR 35 HA THR 35 1.660 -4.022 0.028
260 HB THR 35 HB THR 35 2.936 -4.541 2.724
261 HG1 THR 35 1HG THR 35 3.789 -5.680 0.265
262 1HG2 THR 35 1HG2 THR 35 1.639 -6.408 0.733
263 2HG2 THR 35 2HG2 THR 35 0.987 -5.949 2.308
264 3HG2 THR 35 3HG2 THR 35 2.467 -6.905 2.209
265 H CYS 36 H CYS 36 -0.458 -4.176 0.377
266 HA CYS 36 HA CYS 36 -1.622 -2.584 2.552
267 1HB CYS 36 1HB CYS 36 -2.154 -2.612 -0.122
268 2HB CYS 36 2HB CYS 36 -3.384 -3.715 0.483
269 H TYR 37 H TYR 37 -2.456 -3.568 4.251
270 HA TYR 37 HA TYR 37 -2.951 -6.463 4.121
271 1HB TYR 37 1HB TYR 37 -2.466 -4.694 6.530
272 2HB TYR 37 2HB TYR 37 -2.624 -6.445 6.547
273 HD1 TYR 37 1HD TYR 37 -0.780 -7.850 6.024
274 HD2 TYR 37 2HD TYR 37 -0.456 -3.636 5.471
275 HE1 TYR 37 1HE TYR 37 1.649 -8.080 5.723
276 HE2 TYR 37 2HE TYR 37 1.973 -3.861 5.171
277 HH TYR 37 HH TYR 37 3.506 -6.859 4.679
278 HA PRO 38 HA PRO 38 -7.237 -4.966 4.629
279 1HB PRO 38 1HB PRO 38 -7.894 -7.358 3.076
280 2HB PRO 38 2HB PRO 38 -8.177 -5.658 2.677
281 1HG PRO 38 1HG PRO 38 -6.370 -7.089 1.308
282 2HG PRO 38 2HG PRO 38 -6.069 -5.381 1.734
283 1HD PRO 38 1HD PRO 38 -5.146 -7.848 3.211
284 2HD PRO 38 2HD PRO 38 -4.164 -6.491 2.596
Start of MODEL 8
1 HN PCA 1 H PCA 1 -0.474 -11.318 -0.130
2 HA PCA 1 HA PCA 1 -2.352 -9.959 0.967
3 1HB PCA 1 1HB PCA 1 -1.417 -8.979 2.803
4 2HB PCA 1 2HB PCA 1 -0.726 -7.762 1.716
5 1HG PCA 1 1HG PCA 1 0.635 -9.730 3.224
6 2HG PCA 1 2HG PCA 1 1.320 -8.599 2.035
7 H ILE 2 H ILE 2 -2.270 -7.176 0.573
8 HA ILE 2 HA ILE 2 -2.208 -7.076 -2.320
9 HB ILE 2 HB ILE 2 -3.166 -5.115 -0.246
10 1HG1 ILE 2 1HG1 ILE 2 -4.545 -6.662 -2.453
11 2HG1 ILE 2 2HG1 ILE 2 -4.650 -6.988 -0.725
12 1HG2 ILE 2 1HG2 ILE 2 -3.911 -3.677 -2.131
13 2HG2 ILE 2 2HG2 ILE 2 -2.157 -3.756 -1.957
14 3HG2 ILE 2 3HG2 ILE 2 -2.964 -4.686 -3.225
15 1HD1 ILE 2 1HD1 ILE 2 -5.766 -4.838 -0.396
16 2HD1 ILE 2 2HD1 ILE 2 -5.675 -4.531 -2.131
17 3HD1 ILE 2 3HD1 ILE 2 -6.644 -5.873 -1.521
18 H ASP 3 H ASP 3 -0.216 -6.919 -3.112
19 HA ASP 3 HA ASP 3 1.479 -4.742 -2.132
20 1HB ASP 3 1HB ASP 3 3.272 -5.753 -3.480
21 2HB ASP 3 2HB ASP 3 2.595 -6.918 -2.350
22 H THR 4 H THR 4 1.506 -2.879 -3.216
23 HA THR 4 HA THR 4 -0.183 -2.611 -5.524
24 HB THR 4 HB THR 4 0.574 -0.179 -5.389
25 HG1 THR 4 1HG THR 4 1.885 0.408 -3.772
26 1HG2 THR 4 1HG2 THR 4 -0.818 0.289 -3.449
27 2HG2 THR 4 2HG2 THR 4 -0.675 -1.388 -2.919
28 3HG2 THR 4 3HG2 THR 4 -1.533 -1.006 -4.412
29 H ASN 5 H ASN 5 2.916 -3.619 -5.211
30 HA ASN 5 HA ASN 5 4.808 -3.659 -6.460
31 1HB ASN 5 1HB ASN 5 3.151 -4.535 -8.155
32 2HB ASN 5 2HB ASN 5 3.007 -2.892 -8.773
33 1HD2 ASN 5 1HD2 ASN 5 3.785 -3.446 -10.795
34 2HD2 ASN 5 2HD2 ASN 5 5.455 -3.831 -11.066
35 H VAL 6 H VAL 6 4.307 -1.441 -5.063
36 HA VAL 6 HA VAL 6 5.410 0.740 -6.701
37 HB VAL 6 HB VAL 6 3.231 0.922 -4.607
38 1HG1 VAL 6 1HG1 VAL 6 4.750 2.766 -4.246
39 2HG1 VAL 6 2HG1 VAL 6 4.754 3.150 -5.969
40 3HG1 VAL 6 3HG1 VAL 6 3.284 3.371 -5.020
41 1HG2 VAL 6 1HG2 VAL 6 3.274 1.689 -7.526
42 2HG2 VAL 6 2HG2 VAL 6 2.428 0.312 -6.819
43 3HG2 VAL 6 3HG2 VAL 6 1.932 1.955 -6.415
44 H LYS 7 H LYS 7 7.434 1.002 -5.953
45 HA LYS 7 HA LYS 7 8.306 0.368 -3.351
46 1HB LYS 7 1HB LYS 7 9.532 2.337 -5.296
47 2HB LYS 7 2HB LYS 7 10.343 1.594 -3.920
48 1HG LYS 7 1HG LYS 7 10.047 -0.610 -4.965
49 2HG LYS 7 2HG LYS 7 9.290 0.172 -6.355
50 1HD LYS 7 1HD LYS 7 11.424 1.523 -6.573
51 2HD LYS 7 2HD LYS 7 12.139 0.398 -5.414
52 1HE LYS 7 1HE LYS 7 12.654 -0.320 -7.660
53 2HE LYS 7 2HE LYS 7 11.543 -1.468 -6.913
54 1HZ LYS 7 1HZ LYS 7 10.801 0.677 -8.835
55 2HZ LYS 7 2HZ LYS 7 9.715 -0.394 -8.098
56 3HZ LYS 7 3HZ LYS 7 10.882 -0.984 -9.176
57 H CYS 8 H CYS 8 8.437 1.560 -1.511
58 HA CYS 8 HA CYS 8 6.651 3.881 -1.556
59 1HB CYS 8 1HB CYS 8 6.331 3.356 0.867
60 2HB CYS 8 2HB CYS 8 5.823 2.069 -0.222
61 H SER 9 H SER 9 7.381 5.829 -1.119
62 HA SER 9 HA SER 9 9.837 6.125 0.470
63 1HB SER 9 1HB SER 9 9.670 8.550 -0.349
64 2HB SER 9 2HB SER 9 10.053 7.337 -1.572
65 HG SER 9 HG SER 9 7.828 7.348 -2.159
66 H GLY 10 H GLY 10 6.934 5.539 1.150
67 1HA GLY 10 1HA GLY 10 6.723 6.593 3.661
68 2HA GLY 10 2HA GLY 10 5.945 7.781 2.618
69 H SER 11 H SER 11 4.957 5.706 4.678
70 HA SER 11 HA SER 11 3.504 3.753 3.214
71 1HB SER 11 1HB SER 11 2.998 4.755 6.025
72 2HB SER 11 2HB SER 11 2.438 3.229 5.338
73 HG SER 11 HG SER 11 5.092 4.030 5.954
74 H SER 12 H SER 12 2.862 7.052 4.016
75 HA SER 12 HA SER 12 0.064 6.882 4.306
76 1HB SER 12 1HB SER 12 1.730 9.295 3.569
77 2HB SER 12 2HB SER 12 0.096 9.315 4.231
78 HG SER 12 HG SER 12 0.863 8.510 6.153
79 H LYS 13 H LYS 13 2.062 7.787 1.466
80 HA LYS 13 HA LYS 13 -0.132 8.415 -0.190
81 1HB LYS 13 1HB LYS 13 1.392 7.982 -2.103
82 2HB LYS 13 2HB LYS 13 2.075 9.062 -0.896
83 1HG LYS 13 1HG LYS 13 3.652 7.540 -0.227
84 2HG LYS 13 2HG LYS 13 2.691 6.153 -0.740
85 1HD LYS 13 1HD LYS 13 4.642 6.457 -2.178
86 2HD LYS 13 2HD LYS 13 3.146 6.688 -3.077
87 1HE LYS 13 1HE LYS 13 4.697 8.993 -1.923
88 2HE LYS 13 2HE LYS 13 5.061 8.324 -3.510
89 1HZ LYS 13 1HZ LYS 13 3.609 10.002 -4.033
90 2HZ LYS 13 2HZ LYS 13 2.696 9.824 -2.618
91 3HZ LYS 13 3HZ LYS 13 2.522 8.705 -3.886
92 H CYS 14 H CYS 14 1.360 5.402 0.681
93 HA CYS 14 HA CYS 14 0.192 3.780 -1.319
94 1HB CYS 14 1HB CYS 14 0.959 2.874 1.449
95 2HB CYS 14 2HB CYS 14 0.967 1.940 -0.033
96 H VAL 15 H VAL 15 -0.600 4.160 2.125
97 HA VAL 15 HA VAL 15 -2.891 2.578 2.121
98 HB VAL 15 HB VAL 15 -1.892 3.123 4.201
99 1HG1 VAL 15 1HG1 VAL 15 -1.707 5.359 5.078
100 2HG1 VAL 15 2HG1 VAL 15 -0.874 5.205 3.527
101 3HG1 VAL 15 3HG1 VAL 15 -2.443 6.008 3.611
102 1HG2 VAL 15 1HG2 VAL 15 -3.752 4.016 5.515
103 2HG2 VAL 15 2HG2 VAL 15 -4.523 4.588 4.034
104 3HG2 VAL 15 3HG2 VAL 15 -4.317 2.858 4.308
105 H LYS 16 H LYS 16 -2.462 5.973 1.338
106 HA LYS 16 HA LYS 16 -5.181 6.706 1.281
107 1HB LYS 16 1HB LYS 16 -3.483 8.401 1.337
108 2HB LYS 16 2HB LYS 16 -2.768 7.810 -0.156
109 1HG LYS 16 1HG LYS 16 -4.739 8.506 -1.397
110 2HG LYS 16 2HG LYS 16 -5.495 9.066 0.096
111 1HD LYS 16 1HD LYS 16 -3.787 10.735 0.392
112 2HD LYS 16 2HD LYS 16 -2.882 10.109 -0.988
113 1HE LYS 16 1HE LYS 16 -4.669 10.749 -2.490
114 2HE LYS 16 2HE LYS 16 -5.659 11.279 -1.128
115 1HZ LYS 16 1HZ LYS 16 -3.026 12.452 -1.839
116 2HZ LYS 16 2HZ LYS 16 -4.095 13.011 -0.652
117 3HZ LYS 16 3HZ LYS 16 -4.519 13.118 -2.290
118 H ILE 17 H ILE 17 -2.986 5.686 -1.344
119 HA ILE 17 HA ILE 17 -5.132 5.867 -3.262
120 HB ILE 17 HB ILE 17 -2.736 6.439 -3.764
121 1HG1 ILE 17 1HG1 ILE 17 -2.926 5.798 -6.046
122 2HG1 ILE 17 2HG1 ILE 17 -3.838 4.347 -5.632
123 1HG2 ILE 17 1HG2 ILE 17 -1.629 4.563 -2.725
124 2HG2 ILE 17 2HG2 ILE 17 -2.428 3.449 -3.834
125 3HG2 ILE 17 3HG2 ILE 17 -1.248 4.606 -4.447
126 1HD1 ILE 17 1HD1 ILE 17 -4.830 7.170 -5.295
127 2HD1 ILE 17 2HD1 ILE 17 -5.249 6.083 -6.623
128 3HD1 ILE 17 3HD1 ILE 17 -5.738 5.687 -4.973
129 H CYS 18 H CYS 18 -3.657 3.420 -1.360
130 HA CYS 18 HA CYS 18 -4.406 1.148 -2.849
131 1HB CYS 18 1HB CYS 18 -2.772 1.203 -0.933
132 2HB CYS 18 2HB CYS 18 -4.140 1.302 0.164
133 H ILE 19 H ILE 19 -6.209 3.272 -0.786
134 HA ILE 19 HA ILE 19 -8.460 1.549 -0.452
135 HB ILE 19 HB ILE 19 -8.375 4.568 -0.269
136 1HG1 ILE 19 1HG1 ILE 19 -8.134 2.526 1.951
137 2HG1 ILE 19 2HG1 ILE 19 -6.791 3.453 1.289
138 1HG2 ILE 19 1HG2 ILE 19 -10.403 4.361 1.065
139 2HG2 ILE 19 2HG2 ILE 19 -10.634 3.659 -0.537
140 3HG2 ILE 19 3HG2 ILE 19 -10.373 2.611 0.859
141 1HD1 ILE 19 1HD1 ILE 19 -7.592 4.393 3.388
142 2HD1 ILE 19 2HD1 ILE 19 -7.832 5.515 2.047
143 3HD1 ILE 19 3HD1 ILE 19 -9.197 4.598 2.684
144 H ASP 20 H ASP 20 -7.529 4.036 -2.759
145 HA ASP 20 HA ASP 20 -10.124 4.152 -3.996
146 1HB ASP 20 1HB ASP 20 -8.472 6.065 -3.925
147 2HB ASP 20 2HB ASP 20 -7.506 5.186 -5.105
148 H ARG 21 H ARG 21 -7.008 2.683 -4.678
149 HA ARG 21 HA ARG 21 -7.671 1.545 -7.173
150 1HB ARG 21 1HB ARG 21 -5.585 1.026 -5.087
151 2HB ARG 21 2HB ARG 21 -5.756 -0.067 -6.444
152 1HG ARG 21 1HG ARG 21 -5.239 1.674 -7.999
153 2HG ARG 21 2HG ARG 21 -5.271 2.889 -6.712
154 1HD ARG 21 1HD ARG 21 -3.338 1.992 -5.693
155 2HD ARG 21 2HD ARG 21 -3.407 0.527 -6.673
156 HE ARG 21 HE ARG 21 -2.876 3.152 -7.913
157 1HH1 ARG 21 2HH1 ARG 21 -2.010 -0.194 -7.337
158 2HH1 ARG 21 1HH1 ARG 21 -0.633 -0.157 -8.393
159 1HH2 ARG 21 2HH2 ARG 21 -1.040 3.204 -9.291
160 2HH2 ARG 21 1HH2 ARG 21 -0.084 1.762 -9.497
161 H TYR 22 H TYR 22 -7.537 0.124 -3.895
162 HA TYR 22 HA TYR 22 -8.951 -2.202 -4.995
163 1HB TYR 22 1HB TYR 22 -7.232 -2.102 -2.514
164 2HB TYR 22 2HB TYR 22 -7.932 -3.539 -3.253
165 HD1 TYR 22 1HD TYR 22 -7.090 -4.312 -5.467
166 HD2 TYR 22 2HD TYR 22 -5.187 -1.181 -3.308
167 HE1 TYR 22 1HE TYR 22 -5.076 -4.598 -6.844
168 HE2 TYR 22 2HE TYR 22 -3.165 -1.456 -4.679
169 HH TYR 22 HH TYR 22 -2.104 -3.360 -6.031
170 H ASN 23 H ASN 23 -8.585 -1.828 -1.604
171 HA ASN 23 HA ASN 23 -11.258 -0.876 -1.107
172 1HB ASN 23 1HB ASN 23 -11.844 -3.079 -1.831
173 2HB ASN 23 2HB ASN 23 -10.569 -3.802 -0.860
174 1HD2 ASN 23 1HD2 ASN 23 -13.714 -2.289 -0.795
175 2HD2 ASN 23 2HD2 ASN 23 -14.170 -2.872 0.770
176 H THR 24 H THR 24 -8.113 -1.525 -0.048
177 HA THR 24 HA THR 24 -8.940 -1.876 2.733
178 HB THR 24 HB THR 24 -7.618 -3.721 2.004
179 HG1 THR 24 1HG THR 24 -6.063 -3.654 3.582
180 1HG2 THR 24 1HG2 THR 24 -5.535 -1.716 1.143
181 2HG2 THR 24 2HG2 THR 24 -6.553 -2.682 0.075
182 3HG2 THR 24 3HG2 THR 24 -5.358 -3.471 1.106
183 H ARG 25 H ARG 25 -7.299 -1.008 4.326
184 HA ARG 25 HA ARG 25 -6.634 1.758 3.640
185 1HB ARG 25 1HB ARG 25 -7.928 2.574 5.567
186 2HB ARG 25 2HB ARG 25 -8.967 1.777 4.396
187 1HG ARG 25 1HG ARG 25 -7.952 0.501 6.939
188 2HG ARG 25 2HG ARG 25 -9.536 1.251 6.748
189 1HD ARG 25 1HD ARG 25 -10.053 -0.374 4.960
190 2HD ARG 25 2HD ARG 25 -8.489 -1.143 5.225
191 HE ARG 25 HE ARG 25 -10.526 -0.999 7.352
192 1HH1 ARG 25 2HH1 ARG 25 -8.233 -2.821 5.425
193 2HH1 ARG 25 1HH1 ARG 25 -8.578 -4.334 6.197
194 1HH2 ARG 25 2HH2 ARG 25 -11.005 -3.002 8.354
195 2HH2 ARG 25 1HH2 ARG 25 -10.168 -4.438 7.845
196 H GLY 26 H GLY 26 -5.403 -0.917 4.650
197 1HA GLY 26 1HA GLY 26 -3.879 0.319 6.856
198 2HA GLY 26 2HA GLY 26 -4.358 -1.374 6.887
199 H ALA 27 H ALA 27 -2.374 0.998 5.194
200 HA ALA 27 HA ALA 27 -0.830 -1.248 4.074
201 1HB ALA 27 1HB ALA 27 -1.055 1.555 2.986
202 2HB ALA 27 2HB ALA 27 -0.158 0.220 2.262
203 3HB ALA 27 3HB ALA 27 -1.919 0.147 2.368
204 H LYS 28 H LYS 28 1.338 -1.284 4.296
205 HA LYS 28 HA LYS 28 2.565 0.857 5.901
206 1HB LYS 28 1HB LYS 28 2.144 -1.048 7.354
207 2HB LYS 28 2HB LYS 28 2.910 -2.133 6.204
208 1HG LYS 28 1HG LYS 28 4.417 -1.751 8.005
209 2HG LYS 28 2HG LYS 28 5.047 -0.933 6.577
210 1HD LYS 28 1HD LYS 28 4.149 1.186 7.400
211 2HD LYS 28 2HD LYS 28 3.523 0.370 8.834
212 1HE LYS 28 1HE LYS 28 5.885 -0.331 9.335
213 2HE LYS 28 2HE LYS 28 6.406 0.728 8.025
214 1HZ LYS 28 1HZ LYS 28 5.232 2.561 9.241
215 2HZ LYS 28 2HZ LYS 28 6.606 1.947 10.020
216 3HZ LYS 28 3HZ LYS 28 5.060 1.497 10.553
217 H CYS 29 H CYS 29 4.451 1.617 5.138
218 HA CYS 29 HA CYS 29 5.717 0.417 2.839
219 1HB CYS 29 1HB CYS 29 5.744 2.847 3.103
220 2HB CYS 29 2HB CYS 29 6.555 2.694 4.656
221 H ILE 30 H ILE 30 6.765 -1.473 3.170
222 HA ILE 30 HA ILE 30 8.287 -1.727 5.664
223 HB ILE 30 HB ILE 30 6.272 -2.869 6.109
224 1HG1 ILE 30 1HG1 ILE 30 7.022 -5.229 6.370
225 2HG1 ILE 30 2HG1 ILE 30 8.411 -4.867 5.350
226 1HG2 ILE 30 1HG2 ILE 30 5.441 -3.100 3.824
227 2HG2 ILE 30 2HG2 ILE 30 6.601 -4.396 3.529
228 3HG2 ILE 30 3HG2 ILE 30 5.319 -4.616 4.718
229 1HD1 ILE 30 1HD1 ILE 30 9.027 -4.827 7.683
230 2HD1 ILE 30 2HD1 ILE 30 9.163 -3.212 6.990
231 3HD1 ILE 30 3HD1 ILE 30 7.786 -3.618 8.015
232 H ASN 31 H ASN 31 7.765 -3.610 2.644
233 HA ASN 31 HA ASN 31 10.548 -4.486 2.859
234 1HB ASN 31 1HB ASN 31 8.226 -5.506 1.217
235 2HB ASN 31 2HB ASN 31 9.870 -6.110 1.032
236 1HD2 ASN 31 1HD2 ASN 31 7.518 -7.564 1.839
237 2HD2 ASN 31 2HD2 ASN 31 7.848 -8.194 3.415
238 H GLY 32 H GLY 32 9.987 -1.813 2.046
239 1HA GLY 32 1HA GLY 32 11.160 -0.447 0.544
240 2HA GLY 32 2HA GLY 32 11.393 -1.838 -0.508
241 H ARG 33 H ARG 33 8.349 -2.243 0.079
242 HA ARG 33 HA ARG 33 7.344 -0.214 -1.776
243 1HB ARG 33 1HB ARG 33 6.177 -1.802 -3.085
244 2HB ARG 33 2HB ARG 33 7.837 -2.368 -2.959
245 1HG ARG 33 1HG ARG 33 7.284 -4.142 -1.632
246 2HG ARG 33 2HG ARG 33 5.837 -3.355 -0.992
247 1HD ARG 33 1HD ARG 33 5.118 -5.080 -2.443
248 2HD ARG 33 2HD ARG 33 4.828 -3.549 -3.266
249 HE ARG 33 HE ARG 33 6.904 -4.016 -4.546
250 1HH1 ARG 33 2HH1 ARG 33 5.298 -6.692 -2.950
251 2HH1 ARG 33 1HH1 ARG 33 5.755 -7.859 -4.156
252 1HH2 ARG 33 2HH2 ARG 33 7.554 -5.558 -6.115
253 2HH2 ARG 33 1HH2 ARG 33 7.084 -7.222 -5.927
254 H CYS 34 H CYS 34 4.907 -0.261 -1.856
255 HA CYS 34 HA CYS 34 3.888 -0.101 0.817
256 1HB CYS 34 1HB CYS 34 2.293 0.067 -1.737
257 2HB CYS 34 2HB CYS 34 1.888 0.754 -0.174
258 H THR 35 H THR 35 3.035 -1.714 1.944
259 HA THR 35 HA THR 35 1.788 -3.935 0.463
260 HB THR 35 HB THR 35 2.987 -4.078 3.233
261 HG1 THR 35 1HG THR 35 4.268 -3.881 0.969
262 1HG2 THR 35 1HG2 THR 35 1.262 -5.751 2.822
263 2HG2 THR 35 2HG2 THR 35 2.850 -6.519 2.847
264 3HG2 THR 35 3HG2 THR 35 2.042 -6.214 1.308
265 H CYS 36 H CYS 36 -0.330 -4.031 0.666
266 HA CYS 36 HA CYS 36 -1.621 -2.599 2.869
267 1HB CYS 36 1HB CYS 36 -2.833 -3.744 0.353
268 2HB CYS 36 2HB CYS 36 -3.646 -2.717 1.529
269 H TYR 37 H TYR 37 -2.457 -3.634 4.502
270 HA TYR 37 HA TYR 37 -2.902 -6.530 4.296
271 1HB TYR 37 1HB TYR 37 -2.709 -4.834 6.798
272 2HB TYR 37 2HB TYR 37 -2.706 -6.592 6.706
273 HD1 TYR 37 1HD TYR 37 -0.709 -3.550 6.260
274 HD2 TYR 37 2HD TYR 37 -0.706 -7.798 6.007
275 HE1 TYR 37 1HE TYR 37 1.747 -3.539 6.205
276 HE2 TYR 37 2HE TYR 37 1.753 -7.797 5.942
277 HH TYR 37 HH TYR 37 3.595 -6.261 5.354
278 HA PRO 38 HA PRO 38 -7.144 -4.835 4.169
279 1HB PRO 38 1HB PRO 38 -7.729 -7.403 2.866
280 2HB PRO 38 2HB PRO 38 -7.955 -5.760 2.255
281 1HG PRO 38 1HG PRO 38 -6.056 -7.339 1.238
282 2HG PRO 38 2HG PRO 38 -5.766 -5.600 1.487
283 1HD PRO 38 1HD PRO 38 -4.971 -7.902 3.255
284 2HD PRO 38 2HD PRO 38 -3.968 -6.562 2.647
Start of MODEL 9
1 HN PCA 1 H PCA 1 -1.485 -11.435 -0.002
2 HA PCA 1 HA PCA 1 -2.866 -9.511 0.763
3 1HB PCA 1 1HB PCA 1 -1.694 -8.810 2.607
4 2HB PCA 1 2HB PCA 1 -0.870 -7.703 1.496
5 1HG PCA 1 1HG PCA 1 0.271 -9.810 2.957
6 2HG PCA 1 2HG PCA 1 1.036 -8.874 1.650
7 H ILE 2 H ILE 2 -2.723 -7.056 0.043
8 HA ILE 2 HA ILE 2 -2.138 -7.092 -2.787
9 HB ILE 2 HB ILE 2 -3.350 -4.955 -1.027
10 1HG1 ILE 2 1HG1 ILE 2 -4.556 -6.700 -3.183
11 2HG1 ILE 2 2HG1 ILE 2 -4.752 -6.945 -1.451
12 1HG2 ILE 2 1HG2 ILE 2 -2.860 -4.909 -4.004
13 2HG2 ILE 2 2HG2 ILE 2 -3.900 -3.773 -3.143
14 3HG2 ILE 2 3HG2 ILE 2 -2.170 -3.824 -2.792
15 1HD1 ILE 2 1HD1 ILE 2 -6.709 -5.892 -2.390
16 2HD1 ILE 2 2HD1 ILE 2 -5.891 -4.782 -1.293
17 3HD1 ILE 2 3HD1 ILE 2 -5.724 -4.579 -3.036
18 H ASP 3 H ASP 3 0.099 -7.062 -3.025
19 HA ASP 3 HA ASP 3 1.334 -4.552 -2.125
20 1HB ASP 3 1HB ASP 3 3.469 -5.524 -2.241
21 2HB ASP 3 2HB ASP 3 2.475 -6.797 -1.547
22 H THR 4 H THR 4 1.834 -3.071 -3.601
23 HA THR 4 HA THR 4 0.803 -3.545 -6.259
24 HB THR 4 HB THR 4 1.356 -1.058 -6.520
25 HG1 THR 4 1HG THR 4 1.974 0.032 -4.732
26 1HG2 THR 4 1HG2 THR 4 -0.572 -1.896 -4.344
27 2HG2 THR 4 2HG2 THR 4 -0.910 -1.894 -6.074
28 3HG2 THR 4 3HG2 THR 4 -0.613 -0.372 -5.234
29 H ASN 5 H ASN 5 3.673 -4.183 -4.917
30 HA ASN 5 HA ASN 5 5.856 -4.256 -5.540
31 1HB ASN 5 1HB ASN 5 4.810 -5.666 -7.325
32 2HB ASN 5 2HB ASN 5 4.710 -4.234 -8.346
33 1HD2 ASN 5 1HD2 ASN 5 6.033 -5.009 -9.930
34 2HD2 ASN 5 2HD2 ASN 5 7.732 -5.267 -9.709
35 H VAL 6 H VAL 6 5.029 -1.851 -4.850
36 HA VAL 6 HA VAL 6 6.347 0.011 -6.703
37 HB VAL 6 HB VAL 6 3.758 0.407 -5.208
38 1HG1 VAL 6 1HG1 VAL 6 5.422 2.464 -6.673
39 2HG1 VAL 6 2HG1 VAL 6 3.780 2.725 -6.087
40 3HG1 VAL 6 3HG1 VAL 6 5.088 2.424 -4.942
41 1HG2 VAL 6 1HG2 VAL 6 3.524 -0.698 -7.357
42 2HG2 VAL 6 2HG2 VAL 6 2.859 0.933 -7.434
43 3HG2 VAL 6 3HG2 VAL 6 4.437 0.588 -8.143
44 H LYS 7 H LYS 7 8.115 0.661 -5.674
45 HA LYS 7 HA LYS 7 8.654 0.576 -2.979
46 1HB LYS 7 1HB LYS 7 10.496 2.097 -3.380
47 2HB LYS 7 2HB LYS 7 10.377 0.954 -4.703
48 1HG LYS 7 1HG LYS 7 9.431 3.814 -4.772
49 2HG LYS 7 2HG LYS 7 10.937 3.210 -5.459
50 1HD LYS 7 1HD LYS 7 9.381 1.608 -6.789
51 2HD LYS 7 2HD LYS 7 8.120 2.771 -6.376
52 1HE LYS 7 1HE LYS 7 8.847 3.578 -8.402
53 2HE LYS 7 2HE LYS 7 9.834 4.512 -7.279
54 1HZ LYS 7 1HZ LYS 7 11.195 3.665 -9.054
55 2HZ LYS 7 2HZ LYS 7 10.670 2.079 -8.762
56 3HZ LYS 7 3HZ LYS 7 11.627 2.879 -7.613
57 H CYS 8 H CYS 8 8.487 2.014 -1.263
58 HA CYS 8 HA CYS 8 5.974 3.412 -1.435
59 1HB CYS 8 1HB CYS 8 6.123 3.577 0.992
60 2HB CYS 8 2HB CYS 8 6.480 1.936 0.465
61 H SER 9 H SER 9 5.602 5.510 -1.428
62 HA SER 9 HA SER 9 7.878 7.336 -1.472
63 1HB SER 9 1HB SER 9 6.196 7.373 -3.332
64 2HB SER 9 2HB SER 9 4.971 7.867 -2.165
65 HG SER 9 HG SER 9 6.393 9.698 -1.717
66 H GLY 10 H GLY 10 7.338 6.307 1.032
67 1HA GLY 10 1HA GLY 10 7.533 7.616 3.053
68 2HA GLY 10 2HA GLY 10 6.326 8.707 2.401
69 H SER 11 H SER 11 5.778 5.365 2.029
70 HA SER 11 HA SER 11 4.370 3.828 2.871
71 1HB SER 11 1HB SER 11 3.968 3.691 5.264
72 2HB SER 11 2HB SER 11 5.659 4.046 4.937
73 HG SER 11 HG SER 11 4.884 6.352 5.267
74 H SER 12 H SER 12 3.323 7.073 3.937
75 HA SER 12 HA SER 12 0.645 6.361 4.402
76 1HB SER 12 1HB SER 12 1.804 8.380 5.295
77 2HB SER 12 2HB SER 12 1.704 9.099 3.691
78 HG SER 12 HG SER 12 -0.147 9.017 5.630
79 H LYS 13 H LYS 13 2.272 7.583 1.521
80 HA LYS 13 HA LYS 13 0.159 8.249 -0.112
81 1HB LYS 13 1HB LYS 13 2.662 8.328 -0.637
82 2HB LYS 13 2HB LYS 13 2.513 6.633 -1.078
83 1HG LYS 13 1HG LYS 13 2.403 7.890 -3.080
84 2HG LYS 13 2HG LYS 13 0.775 7.297 -2.744
85 1HD LYS 13 1HD LYS 13 0.693 9.611 -3.473
86 2HD LYS 13 2HD LYS 13 0.196 9.490 -1.784
87 1HE LYS 13 1HE LYS 13 2.360 10.249 -1.045
88 2HE LYS 13 2HE LYS 13 2.972 10.220 -2.698
89 1HZ LYS 13 1HZ LYS 13 0.733 11.955 -1.806
90 2HZ LYS 13 2HZ LYS 13 1.559 12.016 -3.284
91 3HZ LYS 13 3HZ LYS 13 2.352 12.455 -1.854
92 H CYS 14 H CYS 14 1.512 5.049 0.489
93 HA CYS 14 HA CYS 14 -0.129 3.657 -1.348
94 1HB CYS 14 1HB CYS 14 0.930 2.283 1.075
95 2HB CYS 14 2HB CYS 14 0.937 1.762 -0.604
96 H VAL 15 H VAL 15 -0.317 4.253 2.135
97 HA VAL 15 HA VAL 15 -2.521 2.669 2.769
98 HB VAL 15 HB VAL 15 -1.989 5.386 3.973
99 1HG1 VAL 15 1HG1 VAL 15 -4.050 4.333 4.696
100 2HG1 VAL 15 2HG1 VAL 15 -3.172 2.866 5.129
101 3HG1 VAL 15 3HG1 VAL 15 -2.879 4.362 6.016
102 1HG2 VAL 15 1HG2 VAL 15 -0.457 4.301 5.532
103 2HG2 VAL 15 2HG2 VAL 15 -0.636 2.783 4.653
104 3HG2 VAL 15 3HG2 VAL 15 0.115 4.170 3.867
105 H LYS 16 H LYS 16 -2.301 5.902 1.466
106 HA LYS 16 HA LYS 16 -5.087 6.481 1.662
107 1HB LYS 16 1HB LYS 16 -3.536 8.297 1.713
108 2HB LYS 16 2HB LYS 16 -2.791 7.785 0.207
109 1HG LYS 16 1HG LYS 16 -4.187 9.743 -0.114
110 2HG LYS 16 2HG LYS 16 -4.814 8.358 -1.007
111 1HD LYS 16 1HD LYS 16 -6.471 7.968 0.727
112 2HD LYS 16 2HD LYS 16 -5.822 9.312 1.670
113 1HE LYS 16 1HE LYS 16 -7.026 9.510 -1.086
114 2HE LYS 16 2HE LYS 16 -7.838 9.947 0.421
115 1HZ LYS 16 1HZ LYS 16 -5.679 11.331 -1.000
116 2HZ LYS 16 2HZ LYS 16 -5.713 11.438 0.691
117 3HZ LYS 16 3HZ LYS 16 -7.044 11.973 -0.217
118 H ILE 17 H ILE 17 -2.938 5.729 -1.081
119 HA ILE 17 HA ILE 17 -5.126 6.001 -2.908
120 HB ILE 17 HB ILE 17 -2.789 6.663 -3.437
121 1HG1 ILE 17 1HG1 ILE 17 -3.018 6.169 -5.754
122 2HG1 ILE 17 2HG1 ILE 17 -3.887 4.672 -5.416
123 1HG2 ILE 17 1HG2 ILE 17 -1.262 4.925 -4.304
124 2HG2 ILE 17 2HG2 ILE 17 -1.555 4.793 -2.567
125 3HG2 ILE 17 3HG2 ILE 17 -2.368 3.695 -3.688
126 1HD1 ILE 17 1HD1 ILE 17 -5.382 6.426 -6.228
127 2HD1 ILE 17 2HD1 ILE 17 -5.786 5.936 -4.578
128 3HD1 ILE 17 3HD1 ILE 17 -4.921 7.450 -4.866
129 H CYS 18 H CYS 18 -3.547 3.336 -1.339
130 HA CYS 18 HA CYS 18 -4.440 1.283 -3.050
131 1HB CYS 18 1HB CYS 18 -2.743 1.148 -1.136
132 2HB CYS 18 2HB CYS 18 -4.120 0.971 -0.066
133 H ILE 19 H ILE 19 -6.060 3.172 -0.622
134 HA ILE 19 HA ILE 19 -8.333 1.487 -0.332
135 HB ILE 19 HB ILE 19 -8.170 4.468 0.141
136 1HG1 ILE 19 1HG1 ILE 19 -7.777 2.192 2.096
137 2HG1 ILE 19 2HG1 ILE 19 -6.492 3.210 1.452
138 1HG2 ILE 19 1HG2 ILE 19 -10.456 3.620 -0.036
139 2HG2 ILE 19 2HG2 ILE 19 -10.108 2.417 1.204
140 3HG2 ILE 19 3HG2 ILE 19 -10.086 4.133 1.609
141 1HD1 ILE 19 1HD1 ILE 19 -8.792 4.154 3.147
142 2HD1 ILE 19 2HD1 ILE 19 -7.138 3.881 3.698
143 3HD1 ILE 19 3HD1 ILE 19 -7.479 5.153 2.523
144 H ASP 20 H ASP 20 -7.585 4.278 -2.370
145 HA ASP 20 HA ASP 20 -10.223 4.540 -3.411
146 1HB ASP 20 1HB ASP 20 -8.598 6.404 -3.383
147 2HB ASP 20 2HB ASP 20 -7.604 5.544 -4.555
148 H ARG 21 H ARG 21 -7.340 2.844 -4.401
149 HA ARG 21 HA ARG 21 -8.359 2.097 -6.965
150 1HB ARG 21 1HB ARG 21 -5.905 1.497 -5.375
151 2HB ARG 21 2HB ARG 21 -6.290 0.500 -6.768
152 1HG ARG 21 1HG ARG 21 -6.158 2.318 -8.242
153 2HG ARG 21 2HG ARG 21 -6.179 3.488 -6.921
154 1HD ARG 21 1HD ARG 21 -3.990 2.725 -6.198
155 2HD ARG 21 2HD ARG 21 -3.966 1.520 -7.492
156 HE ARG 21 HE ARG 21 -4.417 3.918 -8.744
157 1HH1 ARG 21 2HH1 ARG 21 -1.873 2.589 -6.732
158 2HH1 ARG 21 1HH1 ARG 21 -0.644 3.619 -7.399
159 1HH2 ARG 21 2HH2 ARG 21 -2.812 5.227 -9.633
160 2HH2 ARG 21 1HH2 ARG 21 -1.180 5.122 -9.051
161 H TYR 22 H TYR 22 -7.955 0.401 -3.847
162 HA TYR 22 HA TYR 22 -9.604 -1.737 -5.007
163 1HB TYR 22 1HB TYR 22 -7.486 -2.115 -2.883
164 2HB TYR 22 2HB TYR 22 -8.363 -3.371 -3.753
165 HD1 TYR 22 1HD TYR 22 -8.005 -3.486 -6.300
166 HD2 TYR 22 2HD TYR 22 -5.422 -1.374 -3.670
167 HE1 TYR 22 1HE TYR 22 -6.240 -3.544 -7.998
168 HE2 TYR 22 2HE TYR 22 -3.644 -1.425 -5.368
169 HH TYR 22 HH TYR 22 -3.033 -2.859 -7.349
170 H ASN 23 H ASN 23 -8.770 -2.291 -1.851
171 HA ASN 23 HA ASN 23 -10.745 -0.725 -0.510
172 1HB ASN 23 1HB ASN 23 -12.238 -2.391 -1.550
173 2HB ASN 23 2HB ASN 23 -11.282 -3.686 -0.832
174 1HD2 ASN 23 1HD2 ASN 23 -13.123 -4.460 0.243
175 2HD2 ASN 23 2HD2 ASN 23 -13.730 -3.676 1.669
176 H THR 24 H THR 24 -9.104 -0.200 0.874
177 HA THR 24 HA THR 24 -8.141 -2.360 2.608
178 HB THR 24 HB THR 24 -5.886 -1.320 2.635
179 HG1 THR 24 1HG THR 24 -6.953 0.735 1.653
180 1HG2 THR 24 1HG2 THR 24 -6.174 -3.209 1.172
181 2HG2 THR 24 2HG2 THR 24 -5.186 -2.007 0.338
182 3HG2 THR 24 3HG2 THR 24 -6.894 -2.187 -0.074
183 H ARG 25 H ARG 25 -7.598 -1.682 4.725
184 HA ARG 25 HA ARG 25 -8.385 1.075 5.360
185 1HB ARG 25 1HB ARG 25 -8.931 0.264 7.654
186 2HB ARG 25 2HB ARG 25 -9.980 -0.369 6.403
187 1HG ARG 25 1HG ARG 25 -7.645 -1.933 7.454
188 2HG ARG 25 2HG ARG 25 -9.226 -1.962 8.234
189 1HD ARG 25 1HD ARG 25 -8.495 -2.880 5.461
190 2HD ARG 25 2HD ARG 25 -9.153 -3.837 6.787
191 HE ARG 25 HE ARG 25 -10.913 -1.719 5.991
192 1HH1 ARG 25 2HH1 ARG 25 -9.906 -5.007 5.268
193 2HH1 ARG 25 1HH1 ARG 25 -11.376 -5.386 4.405
194 1HH2 ARG 25 2HH2 ARG 25 -12.821 -2.221 4.869
195 2HH2 ARG 25 1HH2 ARG 25 -13.029 -3.804 4.177
196 H GLY 26 H GLY 26 -5.793 -0.650 4.806
197 1HA GLY 26 1HA GLY 26 -4.065 1.048 6.243
198 2HA GLY 26 2HA GLY 26 -4.157 -0.517 7.042
199 H ALA 27 H ALA 27 -2.295 1.181 5.098
200 HA ALA 27 HA ALA 27 -1.182 -1.244 3.864
201 1HB ALA 27 1HB ALA 27 -2.167 0.161 2.099
202 2HB ALA 27 2HB ALA 27 -1.182 1.522 2.635
203 3HB ALA 27 3HB ALA 27 -0.408 0.086 1.961
204 H LYS 28 H LYS 28 1.215 -1.090 3.611
205 HA LYS 28 HA LYS 28 2.479 0.929 5.297
206 1HB LYS 28 1HB LYS 28 1.715 -0.968 6.776
207 2HB LYS 28 2HB LYS 28 2.800 -2.023 5.887
208 1HG LYS 28 1HG LYS 28 4.665 -0.466 6.566
209 2HG LYS 28 2HG LYS 28 3.505 0.294 7.658
210 1HD LYS 28 1HD LYS 28 3.098 -1.963 8.659
211 2HD LYS 28 2HD LYS 28 4.432 -2.575 7.679
212 1HE LYS 28 1HE LYS 28 5.379 -2.104 9.774
213 2HE LYS 28 2HE LYS 28 5.841 -0.746 8.745
214 1HZ LYS 28 1HZ LYS 28 4.143 0.597 9.720
215 2HZ LYS 28 2HZ LYS 28 5.042 -0.093 10.983
216 3HZ LYS 28 3HZ LYS 28 3.513 -0.716 10.590
217 H CYS 29 H CYS 29 4.727 1.026 5.097
218 HA CYS 29 HA CYS 29 5.808 -0.283 2.713
219 1HB CYS 29 1HB CYS 29 6.110 2.158 2.898
220 2HB CYS 29 2HB CYS 29 6.948 1.939 4.431
221 H ILE 30 H ILE 30 6.500 -2.291 3.225
222 HA ILE 30 HA ILE 30 7.560 -2.709 5.924
223 HB ILE 30 HB ILE 30 5.659 -4.089 5.426
224 1HG1 ILE 30 1HG1 ILE 30 6.652 -6.369 5.712
225 2HG1 ILE 30 2HG1 ILE 30 8.237 -5.659 5.420
226 1HG2 ILE 30 1HG2 ILE 30 7.192 -5.119 3.048
227 2HG2 ILE 30 2HG2 ILE 30 5.653 -5.755 3.631
228 3HG2 ILE 30 3HG2 ILE 30 5.749 -4.104 3.011
229 1HD1 ILE 30 1HD1 ILE 30 7.796 -5.960 7.797
230 2HD1 ILE 30 2HD1 ILE 30 7.984 -4.254 7.386
231 3HD1 ILE 30 3HD1 ILE 30 6.375 -4.923 7.666
232 H ASN 31 H ASN 31 8.281 -3.655 2.564
233 HA ASN 31 HA ASN 31 11.047 -4.181 3.434
234 1HB ASN 31 1HB ASN 31 9.596 -6.123 2.551
235 2HB ASN 31 2HB ASN 31 9.768 -5.367 0.972
236 1HD2 ASN 31 1HD2 ASN 31 11.669 -5.576 -0.130
237 2HD2 ASN 31 2HD2 ASN 31 12.993 -6.552 0.422
238 H GLY 32 H GLY 32 9.590 -1.726 2.436
239 1HA GLY 32 1HA GLY 32 10.874 0.090 1.509
240 2HA GLY 32 2HA GLY 32 11.572 -1.047 0.367
241 H ARG 33 H ARG 33 8.510 -1.994 0.372
242 HA ARG 33 HA ARG 33 7.584 0.109 -1.446
243 1HB ARG 33 1HB ARG 33 6.721 -1.507 -3.013
244 2HB ARG 33 2HB ARG 33 8.444 -1.768 -2.788
245 1HG ARG 33 1HG ARG 33 8.051 -3.693 -1.449
246 2HG ARG 33 2HG ARG 33 6.315 -3.369 -1.399
247 1HD ARG 33 1HD ARG 33 6.116 -3.751 -3.763
248 2HD ARG 33 2HD ARG 33 7.870 -3.903 -3.921
249 HE ARG 33 HE ARG 33 6.341 -5.811 -2.273
250 1HH1 ARG 33 2HH1 ARG 33 8.461 -5.132 -4.975
251 2HH1 ARG 33 1HH1 ARG 33 8.919 -6.785 -5.213
252 1HH2 ARG 33 2HH2 ARG 33 6.936 -8.014 -2.588
253 2HH2 ARG 33 1HH2 ARG 33 8.065 -8.418 -3.849
254 H CYS 34 H CYS 34 5.198 -0.254 -1.989
255 HA CYS 34 HA CYS 34 3.813 -0.146 0.509
256 1HB CYS 34 1HB CYS 34 2.625 -0.076 -2.269
257 2HB CYS 34 2HB CYS 34 1.891 0.525 -0.789
258 H THR 35 H THR 35 2.962 -1.776 1.553
259 HA THR 35 HA THR 35 1.731 -3.957 0.010
260 HB THR 35 HB THR 35 3.099 -4.196 2.700
261 HG1 THR 35 1HG THR 35 3.985 -4.412 0.126
262 1HG2 THR 35 1HG2 THR 35 1.205 -5.719 2.519
263 2HG2 THR 35 2HG2 THR 35 2.719 -6.621 2.404
264 3HG2 THR 35 3HG2 THR 35 1.781 -6.281 0.949
265 H CYS 36 H CYS 36 -0.377 -4.068 0.305
266 HA CYS 36 HA CYS 36 -1.583 -2.493 2.454
267 1HB CYS 36 1HB CYS 36 -2.920 -3.777 0.067
268 2HB CYS 36 2HB CYS 36 -3.599 -2.548 1.133
269 H TYR 37 H TYR 37 -2.807 -3.371 4.023
270 HA TYR 37 HA TYR 37 -3.193 -6.287 3.935
271 1HB TYR 37 1HB TYR 37 -2.769 -4.545 6.378
272 2HB TYR 37 2HB TYR 37 -3.027 -6.286 6.386
273 HD1 TYR 37 1HD TYR 37 -1.251 -7.810 5.800
274 HD2 TYR 37 2HD TYR 37 -0.645 -3.604 5.590
275 HE1 TYR 37 1HE TYR 37 1.177 -8.173 5.628
276 HE2 TYR 37 2HE TYR 37 1.779 -3.951 5.414
277 HH TYR 37 HH TYR 37 3.165 -7.004 4.813
278 HA PRO 38 HA PRO 38 -7.353 -4.343 3.947
279 1HB PRO 38 1HB PRO 38 -8.070 -6.675 2.334
280 2HB PRO 38 2HB PRO 38 -8.187 -4.960 1.928
281 1HG PRO 38 1HG PRO 38 -6.390 -6.588 0.740
282 2HG PRO 38 2HG PRO 38 -6.042 -4.878 1.073
283 1HD PRO 38 1HD PRO 38 -5.216 -7.311 2.620
284 2HD PRO 38 2HD PRO 38 -4.250 -5.894 2.152
Start of MODEL 10
1 HN PCA 1 H PCA 1 -2.833 -10.773 0.858
2 HA PCA 1 HA PCA 1 -2.731 -8.281 1.837
3 1HB PCA 1 1HB PCA 1 -0.680 -7.894 2.748
4 2HB PCA 1 2HB PCA 1 0.154 -8.534 1.321
5 1HG PCA 1 1HG PCA 1 -0.454 -9.826 3.842
6 2HG PCA 1 2HG PCA 1 0.608 -10.364 2.520
7 H ILE 2 H ILE 2 -2.369 -6.525 0.449
8 HA ILE 2 HA ILE 2 -2.247 -7.272 -2.385
9 HB ILE 2 HB ILE 2 -3.281 -4.777 -1.027
10 1HG1 ILE 2 1HG1 ILE 2 -4.760 -6.943 -2.538
11 2HG1 ILE 2 2HG1 ILE 2 -4.681 -6.821 -0.784
12 1HG2 ILE 2 1HG2 ILE 2 -4.094 -4.115 -3.255
13 2HG2 ILE 2 2HG2 ILE 2 -2.332 -4.178 -3.162
14 3HG2 ILE 2 3HG2 ILE 2 -3.223 -5.481 -3.956
15 1HD1 ILE 2 1HD1 ILE 2 -5.916 -4.809 -2.650
16 2HD1 ILE 2 2HD1 ILE 2 -6.776 -5.949 -1.615
17 3HD1 ILE 2 3HD1 ILE 2 -5.816 -4.656 -0.894
18 H ASP 3 H ASP 3 -0.315 -7.013 -3.317
19 HA ASP 3 HA ASP 3 1.407 -4.824 -2.406
20 1HB ASP 3 1HB ASP 3 1.987 -7.150 -4.254
21 2HB ASP 3 2HB ASP 3 3.137 -5.876 -3.876
22 H THR 4 H THR 4 1.635 -3.024 -3.555
23 HA THR 4 HA THR 4 0.320 -2.725 -6.097
24 HB THR 4 HB THR 4 1.472 -0.436 -6.007
25 HG1 THR 4 1HG THR 4 1.969 -0.226 -3.486
26 1HG2 THR 4 1HG2 THR 4 -0.855 -0.753 -5.337
27 2HG2 THR 4 2HG2 THR 4 -0.059 0.392 -4.257
28 3HG2 THR 4 3HG2 THR 4 -0.339 -1.271 -3.729
29 H ASN 5 H ASN 5 3.389 -3.547 -4.894
30 HA ASN 5 HA ASN 5 5.308 -4.297 -5.811
31 1HB ASN 5 1HB ASN 5 3.603 -5.391 -7.475
32 2HB ASN 5 2HB ASN 5 4.155 -4.145 -8.589
33 1HD2 ASN 5 1HD2 ASN 5 5.040 -7.001 -6.817
34 2HD2 ASN 5 2HD2 ASN 5 6.517 -7.311 -7.658
35 H VAL 6 H VAL 6 4.920 -1.769 -5.201
36 HA VAL 6 HA VAL 6 6.523 -0.240 -7.086
37 HB VAL 6 HB VAL 6 3.704 0.306 -6.254
38 1HG1 VAL 6 1HG1 VAL 6 5.703 2.456 -6.903
39 2HG1 VAL 6 2HG1 VAL 6 3.955 2.678 -6.816
40 3HG1 VAL 6 3HG1 VAL 6 4.856 2.220 -5.373
41 1HG2 VAL 6 1HG2 VAL 6 5.243 0.743 -8.808
42 2HG2 VAL 6 2HG2 VAL 6 4.105 -0.560 -8.474
43 3HG2 VAL 6 3HG2 VAL 6 3.534 1.105 -8.578
44 H LYS 7 H LYS 7 8.054 0.852 -6.013
45 HA LYS 7 HA LYS 7 8.334 0.761 -3.209
46 1HB LYS 7 1HB LYS 7 9.700 2.629 -5.153
47 2HB LYS 7 2HB LYS 7 10.244 2.237 -3.529
48 1HG LYS 7 1HG LYS 7 10.656 -0.056 -4.187
49 2HG LYS 7 2HG LYS 7 10.026 0.276 -5.804
50 1HD LYS 7 1HD LYS 7 12.479 1.498 -4.535
51 2HD LYS 7 2HD LYS 7 12.448 0.321 -5.849
52 1HE LYS 7 1HE LYS 7 11.301 1.935 -7.276
53 2HE LYS 7 2HE LYS 7 11.295 3.106 -5.961
54 1HZ LYS 7 1HZ LYS 7 13.749 3.016 -5.995
55 2HZ LYS 7 2HZ LYS 7 13.084 3.613 -7.437
56 3HZ LYS 7 3HZ LYS 7 13.673 2.024 -7.370
57 H CYS 8 H CYS 8 8.128 2.356 -1.652
58 HA CYS 8 HA CYS 8 6.347 4.586 -2.408
59 1HB CYS 8 1HB CYS 8 5.541 4.427 -0.028
60 2HB CYS 8 2HB CYS 8 5.161 3.026 -1.026
61 H SER 9 H SER 9 6.654 6.600 -1.391
62 HA SER 9 HA SER 9 9.326 7.209 -0.536
63 1HB SER 9 1HB SER 9 8.230 9.502 -0.112
64 2HB SER 9 2HB SER 9 8.246 8.915 -1.777
65 HG SER 9 HG SER 9 6.131 9.499 -0.188
66 H GLY 10 H GLY 10 6.159 6.918 0.924
67 1HA GLY 10 1HA GLY 10 7.379 6.335 3.493
68 2HA GLY 10 2HA GLY 10 6.291 7.721 3.443
69 H SER 11 H SER 11 5.606 5.714 5.084
70 HA SER 11 HA SER 11 4.230 3.536 4.022
71 1HB SER 11 1HB SER 11 3.027 3.567 6.269
72 2HB SER 11 2HB SER 11 4.787 3.514 6.337
73 HG SER 11 HG SER 11 3.801 5.079 7.775
74 H SER 12 H SER 12 3.281 6.863 4.334
75 HA SER 12 HA SER 12 0.464 6.424 4.302
76 1HB SER 12 1HB SER 12 1.390 8.423 5.326
77 2HB SER 12 2HB SER 12 2.062 8.936 3.780
78 HG SER 12 HG SER 12 -0.420 8.576 3.243
79 H LYS 13 H LYS 13 2.733 6.136 1.863
80 HA LYS 13 HA LYS 13 1.416 7.421 -0.282
81 1HB LYS 13 1HB LYS 13 3.790 6.765 -0.371
82 2HB LYS 13 2HB LYS 13 3.316 5.071 -0.361
83 1HG LYS 13 1HG LYS 13 3.905 5.884 -2.601
84 2HG LYS 13 2HG LYS 13 2.241 5.304 -2.499
85 1HD LYS 13 1HD LYS 13 1.474 7.637 -2.256
86 2HD LYS 13 2HD LYS 13 3.142 8.186 -2.441
87 1HE LYS 13 1HE LYS 13 1.658 6.547 -4.484
88 2HE LYS 13 2HE LYS 13 1.776 8.306 -4.527
89 1HZ LYS 13 1HZ LYS 13 4.156 8.135 -4.729
90 2HZ LYS 13 2HZ LYS 13 3.431 7.198 -5.944
91 3HZ LYS 13 3HZ LYS 13 4.096 6.447 -4.578
92 H CYS 14 H CYS 14 1.501 3.992 0.678
93 HA CYS 14 HA CYS 14 -0.399 3.280 -1.343
94 1HB CYS 14 1HB CYS 14 1.219 1.873 0.656
95 2HB CYS 14 2HB CYS 14 -0.346 1.134 0.327
96 H VAL 15 H VAL 15 -0.554 3.825 2.137
97 HA VAL 15 HA VAL 15 -2.962 2.518 2.627
98 HB VAL 15 HB VAL 15 -1.515 3.113 4.438
99 1HG1 VAL 15 1HG1 VAL 15 -1.168 5.403 5.151
100 2HG1 VAL 15 2HG1 VAL 15 -0.626 5.161 3.486
101 3HG1 VAL 15 3HG1 VAL 15 -2.154 5.980 3.805
102 1HG2 VAL 15 1HG2 VAL 15 -3.856 2.890 5.017
103 2HG2 VAL 15 2HG2 VAL 15 -3.100 4.142 6.007
104 3HG2 VAL 15 3HG2 VAL 15 -4.132 4.594 4.650
105 H LYS 16 H LYS 16 -2.427 5.687 1.243
106 HA LYS 16 HA LYS 16 -5.218 6.411 1.570
107 1HB LYS 16 1HB LYS 16 -4.613 8.468 0.320
108 2HB LYS 16 2HB LYS 16 -3.630 8.217 1.755
109 1HG LYS 16 1HG LYS 16 -1.758 7.583 0.483
110 2HG LYS 16 2HG LYS 16 -2.719 7.393 -0.982
111 1HD LYS 16 1HD LYS 16 -2.469 10.047 0.399
112 2HD LYS 16 2HD LYS 16 -1.255 9.495 -0.752
113 1HE LYS 16 1HE LYS 16 -2.706 10.779 -2.045
114 2HE LYS 16 2HE LYS 16 -3.225 9.124 -2.354
115 1HZ LYS 16 1HZ LYS 16 -4.955 9.503 -0.591
116 2HZ LYS 16 2HZ LYS 16 -5.158 10.399 -2.014
117 3HZ LYS 16 3HZ LYS 16 -4.533 11.148 -0.624
118 H ILE 17 H ILE 17 -3.061 5.327 -1.013
119 HA ILE 17 HA ILE 17 -5.087 5.821 -3.023
120 HB ILE 17 HB ILE 17 -2.680 6.250 -3.453
121 1HG1 ILE 17 1HG1 ILE 17 -2.724 5.502 -5.728
122 2HG1 ILE 17 2HG1 ILE 17 -3.796 4.166 -5.324
123 1HG2 ILE 17 1HG2 ILE 17 -2.466 3.251 -3.450
124 2HG2 ILE 17 2HG2 ILE 17 -1.213 4.359 -4.006
125 3HG2 ILE 17 3HG2 ILE 17 -1.703 4.358 -2.312
126 1HD1 ILE 17 1HD1 ILE 17 -5.587 5.723 -4.839
127 2HD1 ILE 17 2HD1 ILE 17 -4.518 7.083 -5.202
128 3HD1 ILE 17 3HD1 ILE 17 -4.972 5.953 -6.479
129 H CYS 18 H CYS 18 -3.829 3.156 -1.225
130 HA CYS 18 HA CYS 18 -4.743 1.015 -2.793
131 1HB CYS 18 1HB CYS 18 -3.231 0.976 -0.724
132 2HB CYS 18 2HB CYS 18 -4.706 1.017 0.227
133 H ILE 19 H ILE 19 -6.403 3.308 -0.859
134 HA ILE 19 HA ILE 19 -8.843 1.820 -0.594
135 HB ILE 19 HB ILE 19 -8.461 4.802 -0.280
136 1HG1 ILE 19 1HG1 ILE 19 -8.275 2.640 1.832
137 2HG1 ILE 19 2HG1 ILE 19 -6.905 3.520 1.162
138 1HG2 ILE 19 1HG2 ILE 19 -10.549 2.933 0.844
139 2HG2 ILE 19 2HG2 ILE 19 -10.446 4.669 1.135
140 3HG2 ILE 19 3HG2 ILE 19 -10.792 4.065 -0.487
141 1HD1 ILE 19 1HD1 ILE 19 -7.797 5.601 2.060
142 2HD1 ILE 19 2HD1 ILE 19 -9.177 4.724 2.724
143 3HD1 ILE 19 3HD1 ILE 19 -7.554 4.400 3.330
144 H ASP 20 H ASP 20 -7.449 3.975 -2.956
145 HA ASP 20 HA ASP 20 -10.035 4.609 -4.137
146 1HB ASP 20 1HB ASP 20 -8.303 6.348 -4.030
147 2HB ASP 20 2HB ASP 20 -7.220 5.341 -4.984
148 H ARG 21 H ARG 21 -7.339 2.509 -4.597
149 HA ARG 21 HA ARG 21 -8.183 1.712 -7.250
150 1HB ARG 21 1HB ARG 21 -5.923 0.626 -5.579
151 2HB ARG 21 2HB ARG 21 -6.130 0.507 -7.317
152 1HG ARG 21 1HG ARG 21 -5.898 2.946 -7.495
153 2HG ARG 21 2HG ARG 21 -5.596 3.011 -5.752
154 1HD ARG 21 1HD ARG 21 -3.499 3.065 -6.835
155 2HD ARG 21 2HD ARG 21 -3.673 1.460 -6.130
156 HE ARG 21 HE ARG 21 -4.638 1.248 -8.707
157 1HH1 ARG 21 2HH1 ARG 21 -1.555 2.121 -7.245
158 2HH1 ARG 21 1HH1 ARG 21 -0.630 1.494 -8.574
159 1HH2 ARG 21 2HH2 ARG 21 -3.401 0.438 -10.433
160 2HH2 ARG 21 1HH2 ARG 21 -1.663 0.544 -10.369
161 H TYR 22 H TYR 22 -7.891 0.340 -3.990
162 HA TYR 22 HA TYR 22 -9.239 -2.070 -4.977
163 1HB TYR 22 1HB TYR 22 -7.498 -1.774 -2.517
164 2HB TYR 22 2HB TYR 22 -8.194 -3.272 -3.128
165 HD1 TYR 22 1HD TYR 22 -7.396 -4.195 -5.303
166 HD2 TYR 22 2HD TYR 22 -5.487 -0.897 -3.418
167 HE1 TYR 22 1HE TYR 22 -5.427 -4.528 -6.729
168 HE2 TYR 22 2HE TYR 22 -3.510 -1.219 -4.842
169 HH TYR 22 HH TYR 22 -2.459 -3.109 -6.130
170 H ASN 23 H ASN 23 -9.058 -1.832 -1.608
171 HA ASN 23 HA ASN 23 -11.495 -0.371 -1.210
172 1HB ASN 23 1HB ASN 23 -12.941 -2.169 -0.554
173 2HB ASN 23 2HB ASN 23 -12.318 -2.543 -2.157
174 1HD2 ASN 23 1HD2 ASN 23 -12.390 -3.440 1.169
175 2HD2 ASN 23 2HD2 ASN 23 -11.560 -4.948 1.003
176 H THR 24 H THR 24 -8.615 -1.129 -0.063
177 HA THR 24 HA THR 24 -9.539 -1.502 2.699
178 HB THR 24 HB THR 24 -8.387 -3.498 2.038
179 HG1 THR 24 1HG THR 24 -7.005 -3.564 3.729
180 1HG2 THR 24 1HG2 THR 24 -6.084 -1.714 1.241
181 2HG2 THR 24 2HG2 THR 24 -7.112 -2.642 0.149
182 3HG2 THR 24 3HG2 THR 24 -6.046 -3.476 1.280
183 H ARG 25 H ARG 25 -8.678 -0.335 4.298
184 HA ARG 25 HA ARG 25 -7.174 2.047 3.513
185 1HB ARG 25 1HB ARG 25 -7.832 2.768 5.903
186 2HB ARG 25 2HB ARG 25 -9.081 2.723 4.671
187 1HG ARG 25 1HG ARG 25 -9.860 1.830 6.806
188 2HG ARG 25 2HG ARG 25 -9.905 0.613 5.536
189 1HD ARG 25 1HD ARG 25 -7.922 -0.440 6.384
190 2HD ARG 25 2HD ARG 25 -7.673 0.868 7.546
191 HE ARG 25 HE ARG 25 -10.171 -0.164 8.105
192 1HH1 ARG 25 2HH1 ARG 25 -6.897 -1.411 8.012
193 2HH1 ARG 25 1HH1 ARG 25 -7.186 -2.603 9.241
194 1HH2 ARG 25 2HH2 ARG 25 -10.528 -1.673 9.767
195 2HH2 ARG 25 1HH2 ARG 25 -9.238 -2.740 10.261
196 H GLY 26 H GLY 26 -6.279 -0.877 4.344
197 1HA GLY 26 1HA GLY 26 -4.352 -0.011 6.409
198 2HA GLY 26 2HA GLY 26 -4.925 -1.661 6.212
199 H ALA 27 H ALA 27 -2.574 0.638 5.319
200 HA ALA 27 HA ALA 27 -1.185 -1.450 3.824
201 1HB ALA 27 1HB ALA 27 -1.512 1.356 2.763
202 2HB ALA 27 2HB ALA 27 -0.543 0.076 2.033
203 3HB ALA 27 3HB ALA 27 -2.297 -0.086 2.118
204 H LYS 28 H LYS 28 0.984 -1.448 4.091
205 HA LYS 28 HA LYS 28 2.214 0.782 5.542
206 1HB LYS 28 1HB LYS 28 1.589 -0.856 7.240
207 2HB LYS 28 2HB LYS 28 2.384 -2.134 6.334
208 1HG LYS 28 1HG LYS 28 4.538 -0.899 6.644
209 2HG LYS 28 2HG LYS 28 3.679 0.196 7.727
210 1HD LYS 28 1HD LYS 28 3.130 -1.633 9.207
211 2HD LYS 28 2HD LYS 28 3.860 -2.793 8.096
212 1HE LYS 28 1HE LYS 28 6.040 -1.661 8.409
213 2HE LYS 28 2HE LYS 28 5.284 -0.593 9.592
214 1HZ LYS 28 1HZ LYS 28 6.464 -2.467 10.615
215 2HZ LYS 28 2HZ LYS 28 5.426 -3.552 9.826
216 3HZ LYS 28 3HZ LYS 28 4.812 -2.480 10.982
217 H CYS 29 H CYS 29 4.316 1.158 4.981
218 HA CYS 29 HA CYS 29 5.435 -0.286 2.753
219 1HB CYS 29 1HB CYS 29 6.406 2.021 4.439
220 2HB CYS 29 2HB CYS 29 7.368 1.319 3.150
221 H ILE 30 H ILE 30 7.084 -1.789 2.834
222 HA ILE 30 HA ILE 30 7.809 -2.619 5.568
223 HB ILE 30 HB ILE 30 6.145 -4.150 4.842
224 1HG1 ILE 30 1HG1 ILE 30 7.412 -6.303 4.741
225 2HG1 ILE 30 2HG1 ILE 30 8.894 -5.373 4.545
226 1HG2 ILE 30 1HG2 ILE 30 6.303 -5.461 2.778
227 2HG2 ILE 30 2HG2 ILE 30 6.178 -3.731 2.461
228 3HG2 ILE 30 3HG2 ILE 30 7.736 -4.543 2.315
229 1HD1 ILE 30 1HD1 ILE 30 8.544 -4.346 6.724
230 2HD1 ILE 30 2HD1 ILE 30 7.046 -5.256 6.918
231 3HD1 ILE 30 3HD1 ILE 30 8.589 -6.105 6.844
232 H ASN 31 H ASN 31 8.740 -3.162 2.163
233 HA ASN 31 HA ASN 31 11.543 -2.985 3.032
234 1HB ASN 31 1HB ASN 31 10.788 -5.368 2.588
235 2HB ASN 31 2HB ASN 31 10.537 -4.899 0.909
236 1HD2 ASN 31 1HD2 ASN 31 12.867 -5.522 3.403
237 2HD2 ASN 31 2HD2 ASN 31 14.254 -5.605 2.366
238 H GLY 32 H GLY 32 10.738 -0.748 2.335
239 1HA GLY 32 1HA GLY 32 11.137 0.982 0.871
240 2HA GLY 32 2HA GLY 32 11.778 -0.178 -0.284
241 H ARG 33 H ARG 33 9.268 -1.766 -0.075
242 HA ARG 33 HA ARG 33 7.569 -0.058 -1.748
243 1HB ARG 33 1HB ARG 33 8.261 -1.866 -3.067
244 2HB ARG 33 2HB ARG 33 8.139 -3.010 -1.733
245 1HG ARG 33 1HG ARG 33 5.723 -2.922 -1.848
246 2HG ARG 33 2HG ARG 33 5.810 -1.706 -3.127
247 1HD ARG 33 1HD ARG 33 5.429 -3.753 -4.228
248 2HD ARG 33 2HD ARG 33 7.141 -3.401 -4.458
249 HE ARG 33 HE ARG 33 6.480 -5.119 -2.205
250 1HH1 ARG 33 2HH1 ARG 33 7.614 -4.867 -5.513
251 2HH1 ARG 33 1HH1 ARG 33 8.184 -6.506 -5.590
252 1HH2 ARG 33 2HH2 ARG 33 7.260 -7.277 -2.288
253 2HH2 ARG 33 1HH2 ARG 33 8.007 -7.872 -3.738
254 H CYS 34 H CYS 34 5.303 -0.113 -1.423
255 HA CYS 34 HA CYS 34 4.597 -0.711 1.347
256 1HB CYS 34 1HB CYS 34 2.563 0.693 0.816
257 2HB CYS 34 2HB CYS 34 4.105 1.533 0.739
258 H THR 35 H THR 35 2.946 -2.018 1.940
259 HA THR 35 HA THR 35 1.543 -3.514 -0.167
260 HB THR 35 HB THR 35 2.758 -4.694 2.346
261 HG1 THR 35 1HG THR 35 3.500 -5.524 -0.231
262 1HG2 THR 35 1HG2 THR 35 0.687 -5.828 1.710
263 2HG2 THR 35 2HG2 THR 35 2.085 -6.860 1.403
264 3HG2 THR 35 3HG2 THR 35 1.291 -6.028 0.064
265 H CYS 36 H CYS 36 -0.582 -4.107 0.340
266 HA CYS 36 HA CYS 36 -1.731 -2.646 2.604
267 1HB CYS 36 1HB CYS 36 -3.156 -3.989 0.299
268 2HB CYS 36 2HB CYS 36 -3.857 -2.870 1.464
269 H TYR 37 H TYR 37 -2.354 -3.654 4.361
270 HA TYR 37 HA TYR 37 -2.766 -6.572 4.283
271 1HB TYR 37 1HB TYR 37 -1.842 -4.927 6.649
272 2HB TYR 37 2HB TYR 37 -1.965 -6.679 6.569
273 HD1 TYR 37 1HD TYR 37 0.019 -3.752 5.621
274 HD2 TYR 37 2HD TYR 37 -0.291 -7.989 5.371
275 HE1 TYR 37 1HE TYR 37 2.370 -3.876 4.916
276 HE2 TYR 37 2HE TYR 37 2.061 -8.123 4.662
277 HH TYR 37 HH TYR 37 4.217 -5.542 4.938
278 HA PRO 38 HA PRO 38 -6.817 -4.773 5.581
279 1HB PRO 38 1HB PRO 38 -7.840 -7.089 4.074
280 2HB PRO 38 2HB PRO 38 -8.245 -5.376 3.907
281 1HG PRO 38 1HG PRO 38 -6.803 -6.616 2.035
282 2HG PRO 38 2HG PRO 38 -6.432 -4.943 2.521
283 1HD PRO 38 1HD PRO 38 -5.109 -7.500 3.417
284 2HD PRO 38 2HD PRO 38 -4.355 -6.002 2.821