Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
567920 | 2lzx RC | 18783 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PCA 1 H1 PCA 1 -10.009 7.366 3.091
2 HA PCA 1 HA PCA 1 -10.440 4.820 3.750
3 HB2 PCA 1 3HB PCA 1 -12.613 4.627 2.750
4 HB3 PCA 1 2HB PCA 1 -11.682 4.240 1.251
5 HG2 PCA 1 3HG PCA 1 -13.709 5.959 2.597
6 HG3 PCA 1 2HG PCA 1 -13.001 6.325 1.003
7 H GLY 2 H GLY 2 -8.817 3.533 2.991
8 HA2 GLY 2 2HA GLY 2 -7.413 2.632 1.288
9 HA3 GLY 2 3HA GLY 2 -7.571 4.138 0.398
10 H CYS 3 H CYS 3 -6.541 3.199 3.677
11 HA CYS 3 HA CYS 3 -3.959 4.514 3.211
12 HB2 CYS 3 2HB CYS 3 -5.797 5.882 4.568
13 HB3 CYS 3 3HB CYS 3 -5.240 4.863 5.889
14 H ALA 4 H ALA 4 -2.496 2.976 3.453
15 HA ALA 4 HA ALA 4 -2.836 1.008 5.621
16 HB1 ALA 4 3HB ALA 4 -1.993 -0.678 4.308
17 HB2 ALA 4 1HB ALA 4 -1.102 0.431 3.267
18 HB3 ALA 4 2HB ALA 4 -2.851 0.286 3.105
19 H PHE 5 H PHE 5 -1.003 0.417 6.825
20 HA PHE 5 HA PHE 5 1.075 2.468 6.939
21 HB2 PHE 5 2HB PHE 5 0.259 0.266 8.843
22 HB3 PHE 5 3HB PHE 5 1.673 1.279 9.106
23 HD1 PHE 5 HD1 PHE 5 1.439 3.611 9.714
24 HD2 PHE 5 HD2 PHE 5 -1.977 1.152 9.082
25 HE1 PHE 5 HE1 PHE 5 0.025 5.298 10.813
26 HE2 PHE 5 HE2 PHE 5 -3.397 2.835 10.179
27 HZ PHE 5 HZ PHE 5 -2.396 4.912 11.046
28 H GLU 6 H GLU 6 3.343 1.579 7.624
29 HA GLU 6 HA GLU 6 4.378 0.060 5.472
30 HB2 GLU 6 2HB GLU 6 5.584 1.804 6.900
31 HB3 GLU 6 3HB GLU 6 5.813 0.530 8.084
32 HG2 GLU 6 2HG GLU 6 6.965 -0.792 6.285
33 HG3 GLU 6 3HG GLU 6 6.895 0.653 5.278
34 H GLY 7 H GLY 7 4.939 -2.016 5.260
35 HA2 GLY 7 2HA GLY 7 5.322 -4.248 5.829
36 HA3 GLY 7 3HA GLY 7 4.958 -3.859 7.502
37 H GLU 8 H GLU 8 2.457 -2.553 5.924
38 HA GLU 8 HA GLU 8 0.734 -4.861 6.407
39 HB2 GLU 8 2HB GLU 8 0.363 -2.399 7.239
40 HB3 GLU 8 3HB GLU 8 -0.266 -2.143 5.618
41 HG2 GLU 8 2HG GLU 8 -1.942 -3.861 5.968
42 HG3 GLU 8 3HG GLU 8 -1.289 -4.194 7.572
43 H SER 9 H SER 9 -0.931 -5.447 4.873
44 HA SER 9 HA SER 9 0.018 -5.250 2.114
45 HB2 SER 9 2HB SER 9 -2.022 -7.109 3.360
46 HB3 SER 9 3HB SER 9 -1.485 -7.166 1.682
47 HG SER 9 HG SER 9 0.165 -7.511 3.967
48 H CYS 10 H CYS 10 -0.844 -3.777 0.842
49 HA CYS 10 HA CYS 10 -3.680 -3.059 1.199
50 HB2 CYS 10 2HB CYS 10 -3.244 -0.817 0.813
51 HB3 CYS 10 3HB CYS 10 -1.802 -1.300 1.695
52 H ASN 11 H ASN 11 -4.864 -2.529 -0.710
53 HA ASN 11 HA ASN 11 -3.926 -3.973 -3.080
54 HB2 ASN 11 2HB ASN 11 -6.724 -3.010 -2.490
55 HB3 ASN 11 3HB ASN 11 -6.235 -4.116 -3.765
56 HD21 ASN 11 1HD2 ASN 11 -6.455 -3.729 -0.281
57 HD22 ASN 11 2HD2 ASN 11 -6.617 -5.412 0.084
58 H VAL 12 H VAL 12 -3.718 -2.985 -5.044
59 HA VAL 12 HA VAL 12 -3.752 -0.068 -4.971
60 HB VAL 12 HB VAL 12 -2.475 -0.115 -7.062
61 HG11 VAL 12 1HG1 VAL 12 -1.232 -0.159 -4.998
62 HG12 VAL 12 2HG1 VAL 12 -0.415 -1.171 -6.191
63 HG13 VAL 12 3HG1 VAL 12 -1.373 -1.915 -4.909
64 HG21 VAL 12 3HG2 VAL 12 -3.536 -2.273 -7.892
65 HG22 VAL 12 1HG2 VAL 12 -2.368 -3.117 -6.875
66 HG23 VAL 12 2HG2 VAL 12 -1.806 -2.080 -8.187
67 H GLU 13 H GLU 13 -6.178 -1.837 -5.232
68 HA GLU 13 HA GLU 13 -7.221 -0.855 -7.805
69 HB2 GLU 13 2HB GLU 13 -8.109 -3.201 -6.120
70 HB3 GLU 13 3HB GLU 13 -8.872 -2.695 -7.617
71 HG2 GLU 13 2HG GLU 13 -5.972 -3.457 -7.544
72 HG3 GLU 13 3HG GLU 13 -7.239 -4.681 -7.643
73 H PHE 14 H PHE 14 -7.737 -0.973 -4.337
74 HA PHE 14 HA PHE 14 -9.816 1.056 -4.545
75 HB2 PHE 14 2HB PHE 14 -11.224 -0.324 -2.841
76 HB3 PHE 14 3HB PHE 14 -11.294 -0.751 -4.546
77 HD1 PHE 14 HD2 PHE 14 -10.235 -2.772 -5.376
78 HD2 PHE 14 HD1 PHE 14 -10.201 -1.796 -1.240
79 HE1 PHE 14 HE2 PHE 14 -9.507 -5.059 -4.849
80 HE2 PHE 14 HE1 PHE 14 -9.464 -4.079 -0.702
81 HZ PHE 14 HZ PHE 14 -9.104 -5.700 -2.514
82 H TYR 15 H TYR 15 -7.919 -0.990 -2.322
83 HA TYR 15 HA TYR 15 -7.819 1.274 -0.435
84 HB2 TYR 15 2HB TYR 15 -8.951 -0.931 0.291
85 HB3 TYR 15 3HB TYR 15 -7.325 -1.590 0.347
86 HD1 TYR 15 HD2 TYR 15 -5.669 -0.648 2.000
87 HD2 TYR 15 HD1 TYR 15 -9.776 0.485 2.013
88 HE1 TYR 15 HE2 TYR 15 -5.416 0.223 4.281
89 HE2 TYR 15 HE1 TYR 15 -9.528 1.362 4.296
90 HH TYR 15 HH TYR 15 -6.509 1.852 5.762
91 HA PRO 16 HA PRO 16 -3.438 0.587 -1.977
92 HB2 PRO 16 2HB PRO 16 -2.865 3.201 -2.477
93 HB3 PRO 16 3HB PRO 16 -3.698 2.169 -3.656
94 HG2 PRO 16 2HG PRO 16 -4.846 4.180 -1.775
95 HG3 PRO 16 3HG PRO 16 -5.232 3.884 -3.482
96 HD2 PRO 16 2HD PRO 16 -6.763 2.939 -1.455
97 HD3 PRO 16 3HD PRO 16 -6.592 2.101 -3.007
98 H CYS 17 H CYS 17 -1.422 2.157 -1.253
99 HA CYS 17 HA CYS 17 -1.275 1.913 1.577
100 HB2 CYS 17 2HB CYS 17 0.580 3.178 -0.449
101 HB3 CYS 17 3HB CYS 17 0.956 3.061 1.262
102 H CYS 18 H CYS 18 -0.093 4.018 2.707
103 HA CYS 18 HA CYS 18 -2.179 6.015 2.790
104 HB2 CYS 18 2HB CYS 18 0.200 5.377 4.489
105 HB3 CYS 18 3HB CYS 18 -0.566 6.956 4.627
106 HA PRO 19 HA PRO 19 0.194 8.681 0.027
107 HB2 PRO 19 2HB PRO 19 -1.709 10.575 -0.337
108 HB3 PRO 19 3HB PRO 19 -1.783 8.989 -1.126
109 HG2 PRO 19 2HG PRO 19 -3.294 9.998 1.219
110 HG3 PRO 19 3HG PRO 19 -3.810 8.903 -0.076
111 HD2 PRO 19 2HD PRO 19 -3.032 8.106 2.462
112 HD3 PRO 19 3HD PRO 19 -3.068 7.062 1.029
113 H GLY 20 H GLY 20 1.138 10.778 0.061
114 HA2 GLY 20 2HA GLY 20 1.658 12.873 1.009
115 HA3 GLY 20 3HA GLY 20 0.736 12.434 2.437
116 H LEU 21 H LEU 21 2.059 9.841 2.739
117 HA LEU 21 HA LEU 21 4.398 10.743 4.180
118 HB2 LEU 21 2HB LEU 21 3.371 7.920 3.917
119 HB3 LEU 21 3HB LEU 21 4.445 8.540 5.146
120 HG LEU 21 HG LEU 21 1.582 9.456 4.868
121 HD11 LEU 21 1HD1 LEU 21 1.005 7.896 6.625
122 HD12 LEU 21 2HD1 LEU 21 2.661 7.292 6.667
123 HD13 LEU 21 3HD1 LEU 21 1.664 7.031 5.237
124 HD21 LEU 21 3HD2 LEU 21 1.874 10.150 7.205
125 HD22 LEU 21 1HD2 LEU 21 3.029 10.953 6.142
126 HD23 LEU 21 2HD2 LEU 21 3.551 9.607 7.156
127 H GLY 22 H GLY 22 3.824 8.087 1.839
128 HA2 GLY 22 2HA GLY 22 5.349 8.292 -0.197
129 HA3 GLY 22 3HA GLY 22 6.638 8.337 0.993
130 H LEU 23 H LEU 23 3.755 6.283 1.158
131 HA LEU 23 HA LEU 23 5.478 3.934 1.298
132 HB2 LEU 23 2HB LEU 23 2.565 4.434 1.872
133 HB3 LEU 23 3HB LEU 23 3.156 2.803 1.676
134 HG LEU 23 HG LEU 23 2.926 3.390 4.028
135 HD11 LEU 23 1HD1 LEU 23 4.765 1.859 3.223
136 HD12 LEU 23 2HD1 LEU 23 4.959 2.557 4.829
137 HD13 LEU 23 3HD1 LEU 23 5.866 3.214 3.469
138 HD21 LEU 23 3HD2 LEU 23 3.224 5.710 4.115
139 HD22 LEU 23 1HD2 LEU 23 4.821 5.619 3.371
140 HD23 LEU 23 2HD2 LEU 23 4.577 5.026 5.014
141 H THR 24 H THR 24 5.075 2.028 0.080
142 HA THR 24 HA THR 24 3.519 2.277 -2.378
143 HB THR 24 HB THR 24 5.722 3.010 -3.096
144 HG1 THR 24 HG1 THR 24 4.619 1.675 -4.562
145 HG21 THR 24 3HG2 THR 24 7.192 2.098 -1.435
146 HG22 THR 24 1HG2 THR 24 7.680 1.436 -2.996
147 HG23 THR 24 2HG2 THR 24 6.750 0.446 -1.868
148 H CYS 25 H CYS 25 2.423 0.449 -2.822
149 HA CYS 25 HA CYS 25 2.823 -1.865 -1.119
150 HB2 CYS 25 2HB CYS 25 0.635 -0.728 -2.599
151 HB3 CYS 25 3HB CYS 25 0.829 -2.421 -3.031
152 H ILE 26 H ILE 26 3.967 -3.591 -1.637
153 HA ILE 26 HA ILE 26 4.552 -4.120 -4.475
154 HB ILE 26 HB ILE 26 6.451 -4.601 -2.169
155 HG12 ILE 26 2HG1 ILE 26 6.182 -2.188 -2.541
156 HG13 ILE 26 3HG1 ILE 26 7.786 -2.717 -3.007
157 HG21 ILE 26 1HG2 ILE 26 6.677 -6.136 -4.124
158 HG22 ILE 26 2HG2 ILE 26 8.116 -5.179 -3.770
159 HG23 ILE 26 3HG2 ILE 26 7.067 -4.729 -5.115
160 HD11 ILE 26 3HD1 ILE 26 5.504 -2.042 -4.864
161 HD12 ILE 26 1HD1 ILE 26 7.078 -2.651 -5.379
162 HD13 ILE 26 2HD1 ILE 26 6.958 -1.083 -4.580
163 HA PRO 27 HA PRO 27 4.607 -5.521 -5.989
164 HB2 PRO 27 2HB PRO 27 2.778 -6.969 -7.354
165 HB3 PRO 27 3HB PRO 27 4.362 -7.615 -6.892
166 HG2 PRO 27 2HG PRO 27 1.710 -8.049 -5.608
167 HG3 PRO 27 3HG PRO 27 3.009 -9.215 -5.930
168 HD2 PRO 27 2HD PRO 27 2.599 -8.088 -3.487
169 HD3 PRO 27 3HD PRO 27 4.193 -8.613 -4.061
170 H GLY 28 H GLY 28 1.470 -5.969 -4.442
171 HA2 GLY 28 2HA GLY 28 -0.032 -4.168 -4.056
172 HA3 GLY 28 3HA GLY 28 0.611 -3.358 -5.475
173 H ASN 29 H ASN 29 0.370 -5.982 -7.006
174 HA ASN 29 HA ASN 29 -2.543 -5.824 -7.464
175 HB2 ASN 29 2HB ASN 29 -0.285 -6.355 -9.405
176 HB3 ASN 29 3HB ASN 29 -1.978 -6.620 -9.807
177 HD21 ASN 29 1HD2 ASN 29 0.479 -4.263 -9.135
178 HD22 ASN 29 2HD2 ASN 29 -0.400 -2.887 -9.699
179 HA PRO 30 HA PRO 30 -4.408 -6.855 -7.246
180 HB2 PRO 30 2HB PRO 30 -5.697 -8.183 -5.245
181 HB3 PRO 30 3HB PRO 30 -5.761 -8.695 -6.942
182 HG2 PRO 30 2HG PRO 30 -4.097 -9.762 -4.714
183 HG3 PRO 30 3HG PRO 30 -4.966 -10.635 -5.993
184 HD2 PRO 30 2HD PRO 30 -2.300 -10.192 -6.094
185 HD3 PRO 30 3HD PRO 30 -3.312 -10.281 -7.547
186 H ASP 31 H ASP 31 -2.303 -7.879 -4.640
187 HA ASP 31 HA ASP 31 -2.404 -5.247 -3.442
188 HB2 ASP 31 2HB ASP 31 -2.784 -6.171 -1.123
189 HB3 ASP 31 3HB ASP 31 -4.199 -6.186 -2.165
190 H GLY 32 H GLY 32 -0.653 -4.799 -2.058
191 HA2 GLY 32 2HA GLY 32 1.445 -6.851 -1.878
192 HA3 GLY 32 3HA GLY 32 1.824 -5.308 -2.629
193 H THR 33 H THR 33 3.480 -5.396 -0.851
194 HA THR 33 HA THR 33 2.420 -4.620 1.762
195 HB THR 33 HB THR 33 5.039 -4.672 2.234
196 HG1 THR 33 HG1 THR 33 4.711 -6.568 0.133
197 HG21 THR 33 3HG2 THR 33 3.295 -7.125 2.027
198 HG22 THR 33 1HG2 THR 33 3.369 -6.012 3.394
199 HG23 THR 33 2HG2 THR 33 4.774 -6.996 2.979
200 H CYS 34 H CYS 34 2.620 -2.673 2.617
201 HA CYS 34 HA CYS 34 3.426 -0.492 0.913
202 HB2 CYS 34 2HB CYS 34 2.234 -0.627 3.682
203 HB3 CYS 34 3HB CYS 34 2.693 0.894 2.926
204 H TYR 35 H TYR 35 5.476 -0.089 0.681
205 HA TYR 35 HA TYR 35 7.259 -0.091 3.023
206 HB2 TYR 35 2HB TYR 35 7.779 -0.650 0.111
207 HB3 TYR 35 3HB TYR 35 9.086 -0.188 1.195
208 HD1 TYR 35 HD2 TYR 35 9.406 -1.623 3.313
209 HD2 TYR 35 HD1 TYR 35 7.131 -2.892 -0.056
210 HE1 TYR 35 HE2 TYR 35 9.637 -3.950 4.044
211 HE2 TYR 35 HE1 TYR 35 7.354 -5.226 0.672
212 HH TYR 35 HH TYR 35 8.473 -6.101 3.754
213 H TYR 36 H TYR 36 8.680 1.629 3.336
214 HA TYR 36 HA TYR 36 7.700 4.175 2.393
215 HB2 TYR 36 2HB TYR 36 9.486 3.237 4.515
216 HB3 TYR 36 3HB TYR 36 10.030 4.731 3.759
217 HD1 TYR 36 HD1 TYR 36 8.273 6.639 3.569
218 HD2 TYR 36 HD2 TYR 36 7.862 3.307 6.186
219 HE1 TYR 36 HE1 TYR 36 6.681 7.916 4.935
220 HE2 TYR 36 HE2 TYR 36 6.264 4.576 7.556
221 HH TYR 36 HH TYR 36 5.694 6.922 8.024
222 H LEU 37 H LEU 37 8.451 5.387 0.803
223 HA LEU 37 HA LEU 37 10.572 4.398 -0.879
224 HB2 LEU 37 2HB LEU 37 8.751 6.790 -1.119
225 HB3 LEU 37 3HB LEU 37 9.967 6.378 -2.311
226 HG LEU 37 HG LEU 37 7.914 4.327 -1.590
227 HD11 LEU 37 1HD1 LEU 37 6.598 6.334 -1.943
228 HD12 LEU 37 2HD1 LEU 37 6.414 5.234 -3.309
229 HD13 LEU 37 3HD1 LEU 37 7.452 6.652 -3.453
230 HD21 LEU 37 3HD2 LEU 37 9.327 5.050 -4.158
231 HD22 LEU 37 1HD2 LEU 37 8.217 3.698 -3.935
232 HD23 LEU 37 2HD2 LEU 37 9.758 3.725 -3.077
Start of MODEL 2
1 H1 PCA 1 H1 PCA 1 -10.267 7.066 4.097
2 HA PCA 1 HA PCA 1 -10.439 4.705 3.858
3 HB2 PCA 1 3HB PCA 1 -12.623 4.629 2.867
4 HB3 PCA 1 2HB PCA 1 -11.713 4.344 1.334
5 HG2 PCA 1 3HG PCA 1 -13.694 5.990 2.832
6 HG3 PCA 1 2HG PCA 1 -12.994 6.466 1.262
7 H GLY 2 H GLY 2 -8.816 3.480 3.022
8 HA2 GLY 2 2HA GLY 2 -7.422 2.668 1.273
9 HA3 GLY 2 3HA GLY 2 -7.610 4.205 0.443
10 H CYS 3 H CYS 3 -6.547 3.214 3.695
11 HA CYS 3 HA CYS 3 -3.962 4.519 3.222
12 HB2 CYS 3 2HB CYS 3 -5.789 5.893 4.590
13 HB3 CYS 3 3HB CYS 3 -5.228 4.870 5.906
14 H ALA 4 H ALA 4 -2.504 2.976 3.457
15 HA ALA 4 HA ALA 4 -2.843 1.006 5.623
16 HB1 ALA 4 3HB ALA 4 -2.014 -0.680 4.303
17 HB2 ALA 4 1HB ALA 4 -1.114 0.426 3.266
18 HB3 ALA 4 2HB ALA 4 -2.866 0.292 3.102
19 H PHE 5 H PHE 5 -1.020 0.426 6.838
20 HA PHE 5 HA PHE 5 1.065 2.469 6.944
21 HB2 PHE 5 2HB PHE 5 0.249 0.265 8.846
22 HB3 PHE 5 3HB PHE 5 1.664 1.279 9.109
23 HD1 PHE 5 HD1 PHE 5 1.429 3.608 9.722
24 HD2 PHE 5 HD2 PHE 5 -1.987 1.151 9.086
25 HE1 PHE 5 HE1 PHE 5 0.016 5.294 10.825
26 HE2 PHE 5 HE2 PHE 5 -3.406 2.833 10.185
27 HZ PHE 5 HZ PHE 5 -2.406 4.908 11.056
28 H GLU 6 H GLU 6 3.334 1.582 7.622
29 HA GLU 6 HA GLU 6 4.365 0.060 5.470
30 HB2 GLU 6 2HB GLU 6 5.574 1.804 6.897
31 HB3 GLU 6 3HB GLU 6 5.805 0.529 8.079
32 HG2 GLU 6 2HG GLU 6 6.947 -0.792 6.265
33 HG3 GLU 6 3HG GLU 6 6.886 0.665 5.275
34 H GLY 7 H GLY 7 4.935 -2.016 5.262
35 HA2 GLY 7 2HA GLY 7 5.319 -4.247 5.831
36 HA3 GLY 7 3HA GLY 7 4.952 -3.858 7.504
37 H GLU 8 H GLU 8 2.450 -2.556 5.924
38 HA GLU 8 HA GLU 8 0.732 -4.869 6.404
39 HB2 GLU 8 2HB GLU 8 0.354 -2.412 7.243
40 HB3 GLU 8 3HB GLU 8 -0.271 -2.149 5.621
41 HG2 GLU 8 2HG GLU 8 -1.944 -3.873 5.961
42 HG3 GLU 8 3HG GLU 8 -1.298 -4.207 7.566
43 H SER 9 H SER 9 -0.932 -5.454 4.870
44 HA SER 9 HA SER 9 0.017 -5.253 2.112
45 HB2 SER 9 2HB SER 9 -2.023 -7.114 3.355
46 HB3 SER 9 3HB SER 9 -1.488 -7.167 1.675
47 HG SER 9 HG SER 9 0.718 -7.255 2.913
48 H CYS 10 H CYS 10 -0.843 -3.778 0.839
49 HA CYS 10 HA CYS 10 -3.679 -3.060 1.196
50 HB2 CYS 10 2HB CYS 10 -3.242 -0.818 0.811
51 HB3 CYS 10 3HB CYS 10 -1.800 -1.302 1.692
52 H ASN 11 H ASN 11 -4.864 -2.533 -0.712
53 HA ASN 11 HA ASN 11 -3.926 -3.974 -3.082
54 HB2 ASN 11 2HB ASN 11 -6.724 -3.012 -2.491
55 HB3 ASN 11 3HB ASN 11 -6.236 -4.116 -3.767
56 HD21 ASN 11 1HD2 ASN 11 -6.456 -3.733 -0.283
57 HD22 ASN 11 2HD2 ASN 11 -6.616 -5.416 0.081
58 H VAL 12 H VAL 12 -3.718 -2.984 -5.046
59 HA VAL 12 HA VAL 12 -3.753 -0.068 -4.972
60 HB VAL 12 HB VAL 12 -2.477 -0.114 -7.064
61 HG11 VAL 12 1HG1 VAL 12 -1.232 -0.156 -5.002
62 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.172 -6.193
63 HG13 VAL 12 3HG1 VAL 12 -1.375 -1.913 -4.910
64 HG21 VAL 12 3HG2 VAL 12 -3.538 -2.273 -7.892
65 HG22 VAL 12 1HG2 VAL 12 -2.367 -3.115 -6.876
66 HG23 VAL 12 2HG2 VAL 12 -1.808 -2.078 -8.189
67 H GLU 13 H GLU 13 -6.178 -1.839 -5.233
68 HA GLU 13 HA GLU 13 -7.223 -0.856 -7.806
69 HB2 GLU 13 2HB GLU 13 -8.109 -3.203 -6.122
70 HB3 GLU 13 3HB GLU 13 -8.872 -2.697 -7.619
71 HG2 GLU 13 2HG GLU 13 -5.972 -3.457 -7.546
72 HG3 GLU 13 3HG GLU 13 -7.239 -4.681 -7.647
73 H PHE 14 H PHE 14 -7.734 -0.972 -4.337
74 HA PHE 14 HA PHE 14 -9.816 1.056 -4.544
75 HB2 PHE 14 2HB PHE 14 -11.223 -0.325 -2.841
76 HB3 PHE 14 3HB PHE 14 -11.294 -0.751 -4.546
77 HD1 PHE 14 HD1 PHE 14 -10.233 -2.771 -5.379
78 HD2 PHE 14 HD2 PHE 14 -10.203 -1.800 -1.242
79 HE1 PHE 14 HE1 PHE 14 -9.501 -5.057 -4.854
80 HE2 PHE 14 HE2 PHE 14 -9.472 -4.085 -0.705
81 HZ PHE 14 HZ PHE 14 -9.105 -5.703 -2.519
82 H TYR 15 H TYR 15 -7.917 -0.991 -2.323
83 HA TYR 15 HA TYR 15 -7.818 1.269 -0.434
84 HB2 TYR 15 2HB TYR 15 -8.951 -0.936 0.289
85 HB3 TYR 15 3HB TYR 15 -7.325 -1.595 0.346
86 HD1 TYR 15 HD1 TYR 15 -5.671 -0.653 2.000
87 HD2 TYR 15 HD2 TYR 15 -9.778 0.475 2.012
88 HE1 TYR 15 HE1 TYR 15 -5.421 0.215 4.283
89 HE2 TYR 15 HE2 TYR 15 -9.533 1.349 4.296
90 HH TYR 15 HH TYR 15 -6.516 1.840 5.766
91 HA PRO 16 HA PRO 16 -3.437 0.582 -1.976
92 HB2 PRO 16 2HB PRO 16 -2.863 3.195 -2.478
93 HB3 PRO 16 3HB PRO 16 -3.698 2.164 -3.655
94 HG2 PRO 16 2HG PRO 16 -4.843 4.175 -1.773
95 HG3 PRO 16 3HG PRO 16 -5.231 3.881 -3.480
96 HD2 PRO 16 2HD PRO 16 -6.761 2.936 -1.453
97 HD3 PRO 16 3HD PRO 16 -6.591 2.098 -3.005
98 H CYS 17 H CYS 17 -1.422 2.155 -1.254
99 HA CYS 17 HA CYS 17 -1.271 1.910 1.575
100 HB2 CYS 17 2HB CYS 17 0.581 3.173 -0.454
101 HB3 CYS 17 3HB CYS 17 0.959 3.060 1.257
102 H CYS 18 H CYS 18 -0.086 4.016 2.703
103 HA CYS 18 HA CYS 18 -2.174 6.012 2.788
104 HB2 CYS 18 2HB CYS 18 0.209 5.376 4.484
105 HB3 CYS 18 3HB CYS 18 -0.558 6.955 4.624
106 HA PRO 19 HA PRO 19 0.196 8.677 0.021
107 HB2 PRO 19 2HB PRO 19 -1.711 10.567 -0.346
108 HB3 PRO 19 3HB PRO 19 -1.782 8.980 -1.132
109 HG2 PRO 19 2HG PRO 19 -3.294 9.990 1.211
110 HG3 PRO 19 3HG PRO 19 -3.810 8.893 -0.082
111 HD2 PRO 19 2HD PRO 19 -3.030 8.101 2.457
112 HD3 PRO 19 3HD PRO 19 -3.064 7.055 1.026
113 H GLY 20 H GLY 20 1.137 10.775 0.053
114 HA2 GLY 20 2HA GLY 20 1.653 12.872 0.997
115 HA3 GLY 20 3HA GLY 20 0.732 12.433 2.426
116 H LEU 21 H LEU 21 2.058 9.843 2.731
117 HA LEU 21 HA LEU 21 4.395 10.749 4.172
118 HB2 LEU 21 2HB LEU 21 3.372 7.924 3.911
119 HB3 LEU 21 3HB LEU 21 4.447 8.547 5.139
120 HG LEU 21 HG LEU 21 1.582 9.459 4.862
121 HD11 LEU 21 1HD1 LEU 21 1.009 7.901 6.621
122 HD12 LEU 21 2HD1 LEU 21 2.667 7.300 6.664
123 HD13 LEU 21 3HD1 LEU 21 1.668 7.035 5.235
124 HD21 LEU 21 3HD2 LEU 21 1.875 10.155 7.198
125 HD22 LEU 21 1HD2 LEU 21 3.026 10.961 6.132
126 HD23 LEU 21 2HD2 LEU 21 3.553 9.618 7.147
127 H GLY 22 H GLY 22 3.829 8.084 1.839
128 HA2 GLY 22 2HA GLY 22 5.357 8.292 -0.197
129 HA3 GLY 22 3HA GLY 22 6.642 8.337 0.995
130 H LEU 23 H LEU 23 3.759 6.286 1.153
131 HA LEU 23 HA LEU 23 5.480 3.934 1.295
132 HB2 LEU 23 2HB LEU 23 2.567 4.436 1.867
133 HB3 LEU 23 3HB LEU 23 3.158 2.804 1.673
134 HG LEU 23 HG LEU 23 2.926 3.395 4.025
135 HD11 LEU 23 1HD1 LEU 23 5.866 3.215 3.465
136 HD12 LEU 23 2HD1 LEU 23 4.764 1.862 3.222
137 HD13 LEU 23 3HD1 LEU 23 4.959 2.560 4.827
138 HD21 LEU 23 3HD2 LEU 23 4.824 5.622 3.366
139 HD22 LEU 23 1HD2 LEU 23 4.578 5.031 5.009
140 HD23 LEU 23 2HD2 LEU 23 3.227 5.714 4.109
141 H THR 24 H THR 24 5.075 2.028 0.078
142 HA THR 24 HA THR 24 3.520 2.276 -2.381
143 HB THR 24 HB THR 24 5.724 3.008 -3.099
144 HG1 THR 24 HG1 THR 24 4.525 0.773 -4.031
145 HG21 THR 24 3HG2 THR 24 7.681 1.432 -2.997
146 HG22 THR 24 1HG2 THR 24 6.750 0.445 -1.867
147 HG23 THR 24 2HG2 THR 24 7.194 2.097 -1.437
148 H CYS 25 H CYS 25 2.426 0.446 -2.827
149 HA CYS 25 HA CYS 25 2.826 -1.866 -1.120
150 HB2 CYS 25 2HB CYS 25 0.637 -0.730 -2.601
151 HB3 CYS 25 3HB CYS 25 0.831 -2.424 -3.031
152 H ILE 26 H ILE 26 3.969 -3.592 -1.636
153 HA ILE 26 HA ILE 26 4.556 -4.123 -4.473
154 HB ILE 26 HB ILE 26 6.452 -4.604 -2.166
155 HG12 ILE 26 2HG1 ILE 26 6.185 -2.190 -2.541
156 HG13 ILE 26 3HG1 ILE 26 7.791 -2.722 -3.002
157 HG21 ILE 26 1HG2 ILE 26 6.677 -6.141 -4.120
158 HG22 ILE 26 2HG2 ILE 26 8.118 -5.188 -3.762
159 HG23 ILE 26 3HG2 ILE 26 7.073 -4.735 -5.110
160 HD11 ILE 26 3HD1 ILE 26 6.968 -1.089 -4.581
161 HD12 ILE 26 1HD1 ILE 26 5.514 -2.048 -4.867
162 HD13 ILE 26 2HD1 ILE 26 7.088 -2.659 -5.377
163 HA PRO 27 HA PRO 27 4.609 -5.523 -5.989
164 HB2 PRO 27 2HB PRO 27 2.780 -6.969 -7.353
165 HB3 PRO 27 3HB PRO 27 4.363 -7.618 -6.891
166 HG2 PRO 27 2HG PRO 27 1.710 -8.048 -5.608
167 HG3 PRO 27 3HG PRO 27 3.008 -9.216 -5.929
168 HD2 PRO 27 2HD PRO 27 2.598 -8.089 -3.486
169 HD3 PRO 27 3HD PRO 27 4.193 -8.615 -4.060
170 H GLY 28 H GLY 28 1.472 -5.969 -4.442
171 HA2 GLY 28 2HA GLY 28 -0.029 -4.167 -4.057
172 HA3 GLY 28 3HA GLY 28 0.615 -3.358 -5.476
173 H ASN 29 H ASN 29 0.373 -5.980 -7.008
174 HA ASN 29 HA ASN 29 -2.540 -5.822 -7.467
175 HB2 ASN 29 2HB ASN 29 -0.281 -6.352 -9.409
176 HB3 ASN 29 3HB ASN 29 -1.975 -6.615 -9.809
177 HD21 ASN 29 1HD2 ASN 29 -3.342 -4.846 -10.040
178 HD22 ASN 29 2HD2 ASN 29 -2.738 -3.243 -10.254
179 HA PRO 30 HA PRO 30 -4.406 -6.853 -7.249
180 HB2 PRO 30 2HB PRO 30 -5.693 -8.182 -5.249
181 HB3 PRO 30 3HB PRO 30 -5.758 -8.694 -6.945
182 HG2 PRO 30 2HG PRO 30 -4.093 -9.762 -4.719
183 HG3 PRO 30 3HG PRO 30 -4.961 -10.633 -5.997
184 HD2 PRO 30 2HD PRO 30 -2.296 -10.190 -6.099
185 HD3 PRO 30 3HD PRO 30 -3.309 -10.278 -7.552
186 H ASP 31 H ASP 31 -2.300 -7.877 -4.643
187 HA ASP 31 HA ASP 31 -2.401 -5.246 -3.446
188 HB2 ASP 31 2HB ASP 31 -2.783 -6.171 -1.126
189 HB3 ASP 31 3HB ASP 31 -4.197 -6.183 -2.169
190 H GLY 32 H GLY 32 -0.651 -4.799 -2.059
191 HA2 GLY 32 2HA GLY 32 1.445 -6.852 -1.877
192 HA3 GLY 32 3HA GLY 32 1.826 -5.310 -2.628
193 H THR 33 H THR 33 3.481 -5.398 -0.850
194 HA THR 33 HA THR 33 2.420 -4.621 1.762
195 HB THR 33 HB THR 33 5.039 -4.674 2.235
196 HG1 THR 33 HG1 THR 33 5.030 -5.470 -0.215
197 HG21 THR 33 3HG2 THR 33 3.368 -6.013 3.395
198 HG22 THR 33 1HG2 THR 33 4.774 -6.996 2.982
199 HG23 THR 33 2HG2 THR 33 3.295 -7.126 2.028
200 H CYS 34 H CYS 34 2.620 -2.674 2.618
201 HA CYS 34 HA CYS 34 3.426 -0.493 0.914
202 HB2 CYS 34 2HB CYS 34 2.234 -0.628 3.682
203 HB3 CYS 34 3HB CYS 34 2.694 0.894 2.925
204 H TYR 35 H TYR 35 5.477 -0.091 0.682
205 HA TYR 35 HA TYR 35 7.260 -0.092 3.026
206 HB2 TYR 35 2HB TYR 35 7.781 -0.652 0.113
207 HB3 TYR 35 3HB TYR 35 9.087 -0.190 1.199
208 HD1 TYR 35 HD1 TYR 35 9.409 -1.626 3.315
209 HD2 TYR 35 HD2 TYR 35 7.132 -2.893 -0.054
210 HE1 TYR 35 HE1 TYR 35 9.639 -3.954 4.044
211 HE2 TYR 35 HE2 TYR 35 7.353 -5.227 0.673
212 HH TYR 35 HH TYR 35 8.863 -6.594 2.057
213 H TYR 36 H TYR 36 8.686 1.626 3.334
214 HA TYR 36 HA TYR 36 7.705 4.173 2.392
215 HB2 TYR 36 2HB TYR 36 9.493 3.235 4.513
216 HB3 TYR 36 3HB TYR 36 10.033 4.729 3.757
217 HD1 TYR 36 HD2 TYR 36 8.274 6.635 3.571
218 HD2 TYR 36 HD1 TYR 36 7.870 3.300 6.184
219 HE1 TYR 36 HE2 TYR 36 6.680 7.907 4.938
220 HE2 TYR 36 HE1 TYR 36 6.270 4.565 7.558
221 HH TYR 36 HH TYR 36 4.849 7.463 6.528
222 H LEU 37 H LEU 37 8.455 5.383 0.802
223 HA LEU 37 HA LEU 37 10.574 4.393 -0.881
224 HB2 LEU 37 2HB LEU 37 8.755 6.788 -1.120
225 HB3 LEU 37 3HB LEU 37 9.970 6.375 -2.312
226 HG LEU 37 HG LEU 37 7.915 4.327 -1.591
227 HD11 LEU 37 1HD1 LEU 37 6.605 6.338 -1.946
228 HD12 LEU 37 2HD1 LEU 37 6.415 5.234 -3.307
229 HD13 LEU 37 3HD1 LEU 37 7.456 6.650 -3.458
230 HD21 LEU 37 3HD2 LEU 37 9.757 3.721 -3.078
231 HD22 LEU 37 1HD2 LEU 37 9.333 5.048 -4.158
232 HD23 LEU 37 2HD2 LEU 37 8.218 3.700 -3.939
Start of MODEL 3
1 H1 PCA 1 H1 PCA 1 -10.336 7.131 3.855
2 HA PCA 1 HA PCA 1 -10.443 4.756 3.762
3 HB2 PCA 1 3HB PCA 1 -12.623 4.560 2.776
4 HB3 PCA 1 2HB PCA 1 -11.700 4.205 1.263
5 HG2 PCA 1 3HG PCA 1 -13.729 5.888 2.653
6 HG3 PCA 1 2HG PCA 1 -13.037 6.284 1.058
7 H GLY 2 H GLY 2 -8.788 3.524 3.005
8 HA2 GLY 2 2HA GLY 2 -7.399 2.645 1.267
9 HA3 GLY 2 3HA GLY 2 -7.570 4.166 0.404
10 H CYS 3 H CYS 3 -6.537 3.201 3.674
11 HA CYS 3 HA CYS 3 -3.953 4.516 3.216
12 HB2 CYS 3 2HB CYS 3 -5.793 5.882 4.573
13 HB3 CYS 3 3HB CYS 3 -5.236 4.862 5.893
14 H ALA 4 H ALA 4 -2.496 2.973 3.453
15 HA ALA 4 HA ALA 4 -2.837 1.004 5.619
16 HB1 ALA 4 3HB ALA 4 -2.848 0.288 3.097
17 HB2 ALA 4 1HB ALA 4 -1.998 -0.681 4.304
18 HB3 ALA 4 2HB ALA 4 -1.097 0.425 3.271
19 H PHE 5 H PHE 5 -1.010 0.418 6.831
20 HA PHE 5 HA PHE 5 1.071 2.466 6.946
21 HB2 PHE 5 2HB PHE 5 0.253 0.261 8.847
22 HB3 PHE 5 3HB PHE 5 1.666 1.277 9.112
23 HD1 PHE 5 HD1 PHE 5 -1.985 1.146 9.079
24 HD2 PHE 5 HD2 PHE 5 1.429 3.605 9.728
25 HE1 PHE 5 HE1 PHE 5 -3.408 2.827 10.176
26 HE2 PHE 5 HE2 PHE 5 0.011 5.289 10.827
27 HZ PHE 5 HZ PHE 5 -2.411 4.901 11.051
28 H GLU 6 H GLU 6 3.340 1.584 7.622
29 HA GLU 6 HA GLU 6 4.373 0.061 5.473
30 HB2 GLU 6 2HB GLU 6 5.580 1.806 6.899
31 HB3 GLU 6 3HB GLU 6 5.810 0.531 8.084
32 HG2 GLU 6 2HG GLU 6 6.955 -0.791 6.275
33 HG3 GLU 6 3HG GLU 6 6.894 0.663 5.281
34 H GLY 7 H GLY 7 4.938 -2.015 5.264
35 HA2 GLY 7 2HA GLY 7 5.321 -4.246 5.832
36 HA3 GLY 7 3HA GLY 7 4.956 -3.858 7.505
37 H GLU 8 H GLU 8 2.456 -2.553 5.925
38 HA GLU 8 HA GLU 8 0.734 -4.864 6.407
39 HB2 GLU 8 2HB GLU 8 0.360 -2.403 7.242
40 HB3 GLU 8 3HB GLU 8 -0.268 -2.145 5.621
41 HG2 GLU 8 2HG GLU 8 -1.942 -3.866 5.968
42 HG3 GLU 8 3HG GLU 8 -1.290 -4.199 7.573
43 H SER 9 H SER 9 -0.931 -5.450 4.874
44 HA SER 9 HA SER 9 0.018 -5.250 2.115
45 HB2 SER 9 2HB SER 9 -2.022 -7.111 3.362
46 HB3 SER 9 3HB SER 9 -1.487 -7.166 1.681
47 HG SER 9 HG SER 9 0.132 -7.552 3.983
48 H CYS 10 H CYS 10 -0.845 -3.781 0.839
49 HA CYS 10 HA CYS 10 -3.680 -3.061 1.197
50 HB2 CYS 10 2HB CYS 10 -3.244 -0.820 0.812
51 HB3 CYS 10 3HB CYS 10 -1.803 -1.303 1.694
52 H ASN 11 H ASN 11 -4.865 -2.532 -0.711
53 HA ASN 11 HA ASN 11 -3.926 -3.974 -3.081
54 HB2 ASN 11 2HB ASN 11 -6.725 -3.012 -2.491
55 HB3 ASN 11 3HB ASN 11 -6.236 -4.117 -3.767
56 HD21 ASN 11 1HD2 ASN 11 -6.457 -3.733 -0.283
57 HD22 ASN 11 2HD2 ASN 11 -6.618 -5.416 0.081
58 H VAL 12 H VAL 12 -3.720 -2.984 -5.045
59 HA VAL 12 HA VAL 12 -3.754 -0.068 -4.969
60 HB VAL 12 HB VAL 12 -2.478 -0.112 -7.061
61 HG11 VAL 12 1HG1 VAL 12 -1.237 -0.158 -4.993
62 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.164 -6.191
63 HG13 VAL 12 3HG1 VAL 12 -1.372 -1.916 -4.912
64 HG21 VAL 12 3HG2 VAL 12 -2.372 -3.114 -6.874
65 HG22 VAL 12 1HG2 VAL 12 -1.804 -2.078 -8.184
66 HG23 VAL 12 2HG2 VAL 12 -3.536 -2.269 -7.894
67 H GLU 13 H GLU 13 -6.179 -1.839 -5.233
68 HA GLU 13 HA GLU 13 -7.222 -0.855 -7.806
69 HB2 GLU 13 2HB GLU 13 -8.108 -3.203 -6.123
70 HB3 GLU 13 3HB GLU 13 -8.874 -2.695 -7.618
71 HG2 GLU 13 2HG GLU 13 -5.973 -3.455 -7.549
72 HG3 GLU 13 3HG GLU 13 -7.238 -4.680 -7.649
73 H PHE 14 H PHE 14 -7.737 -0.973 -4.338
74 HA PHE 14 HA PHE 14 -9.817 1.054 -4.543
75 HB2 PHE 14 2HB PHE 14 -11.225 -0.329 -2.842
76 HB3 PHE 14 3HB PHE 14 -11.295 -0.754 -4.547
77 HD1 PHE 14 HD2 PHE 14 -10.235 -2.773 -5.380
78 HD2 PHE 14 HD1 PHE 14 -10.204 -1.804 -1.242
79 HE1 PHE 14 HE2 PHE 14 -9.506 -5.061 -4.856
80 HE2 PHE 14 HE1 PHE 14 -9.466 -4.088 -0.708
81 HZ PHE 14 HZ PHE 14 -9.106 -5.705 -2.521
82 H TYR 15 H TYR 15 -7.919 -0.994 -2.324
83 HA TYR 15 HA TYR 15 -7.822 1.266 -0.432
84 HB2 TYR 15 2HB TYR 15 -8.952 -0.941 0.290
85 HB3 TYR 15 3HB TYR 15 -7.326 -1.598 0.345
86 HD1 TYR 15 HD2 TYR 15 -5.669 -0.650 1.997
87 HD2 TYR 15 HD1 TYR 15 -9.781 0.464 2.016
88 HE1 TYR 15 HE2 TYR 15 -5.418 0.218 4.280
89 HE2 TYR 15 HE1 TYR 15 -9.535 1.337 4.301
90 HH TYR 15 HH TYR 15 -8.063 1.026 6.244
91 HA PRO 16 HA PRO 16 -3.440 0.584 -1.973
92 HB2 PRO 16 2HB PRO 16 -2.869 3.199 -2.472
93 HB3 PRO 16 3HB PRO 16 -3.702 2.168 -3.652
94 HG2 PRO 16 2HG PRO 16 -4.850 4.176 -1.766
95 HG3 PRO 16 3HG PRO 16 -5.237 3.884 -3.474
96 HD2 PRO 16 2HD PRO 16 -6.766 2.934 -1.448
97 HD3 PRO 16 3HD PRO 16 -6.595 2.099 -3.001
98 H CYS 17 H CYS 17 -1.425 2.155 -1.250
99 HA CYS 17 HA CYS 17 -1.277 1.910 1.580
100 HB2 CYS 17 2HB CYS 17 0.578 3.177 -0.445
101 HB3 CYS 17 3HB CYS 17 0.955 3.057 1.266
102 H CYS 18 H CYS 18 -0.089 4.019 2.705
103 HA CYS 18 HA CYS 18 -2.177 6.015 2.790
104 HB2 CYS 18 2HB CYS 18 0.205 5.379 4.489
105 HB3 CYS 18 3HB CYS 18 -0.564 6.957 4.627
106 HA PRO 19 HA PRO 19 0.195 8.678 0.024
107 HB2 PRO 19 2HB PRO 19 -1.708 10.570 -0.344
108 HB3 PRO 19 3HB PRO 19 -1.781 8.983 -1.129
109 HG2 PRO 19 2HG PRO 19 -3.293 9.996 1.212
110 HG3 PRO 19 3HG PRO 19 -3.809 8.898 -0.081
111 HD2 PRO 19 2HD PRO 19 -3.031 8.106 2.459
112 HD3 PRO 19 3HD PRO 19 -3.066 7.060 1.028
113 H GLY 20 H GLY 20 1.136 10.778 0.056
114 HA2 GLY 20 2HA GLY 20 1.654 12.875 1.001
115 HA3 GLY 20 3HA GLY 20 0.732 12.436 2.430
116 H LEU 21 H LEU 21 2.059 9.844 2.733
117 HA LEU 21 HA LEU 21 4.396 10.750 4.175
118 HB2 LEU 21 2HB LEU 21 3.371 7.926 3.913
119 HB3 LEU 21 3HB LEU 21 4.445 8.547 5.141
120 HG LEU 21 HG LEU 21 1.581 9.461 4.864
121 HD11 LEU 21 1HD1 LEU 21 1.006 7.902 6.622
122 HD12 LEU 21 2HD1 LEU 21 2.663 7.300 6.664
123 HD13 LEU 21 3HD1 LEU 21 1.665 7.036 5.236
124 HD21 LEU 21 3HD2 LEU 21 3.553 9.617 7.150
125 HD22 LEU 21 1HD2 LEU 21 1.874 10.155 7.201
126 HD23 LEU 21 2HD2 LEU 21 3.026 10.961 6.136
127 H GLY 22 H GLY 22 3.828 8.084 1.841
128 HA2 GLY 22 2HA GLY 22 5.355 8.293 -0.195
129 HA3 GLY 22 3HA GLY 22 6.642 8.336 0.998
130 H LEU 23 H LEU 23 3.757 6.285 1.155
131 HA LEU 23 HA LEU 23 5.478 3.935 1.297
132 HB2 LEU 23 2HB LEU 23 2.565 4.436 1.869
133 HB3 LEU 23 3HB LEU 23 3.157 2.805 1.675
134 HG LEU 23 HG LEU 23 2.925 3.395 4.028
135 HD11 LEU 23 1HD1 LEU 23 5.864 3.213 3.466
136 HD12 LEU 23 2HD1 LEU 23 4.760 1.861 3.225
137 HD13 LEU 23 3HD1 LEU 23 4.959 2.562 4.830
138 HD21 LEU 23 3HD2 LEU 23 3.227 5.716 4.110
139 HD22 LEU 23 1HD2 LEU 23 4.825 5.620 3.369
140 HD23 LEU 23 2HD2 LEU 23 4.576 5.030 5.012
141 H THR 24 H THR 24 5.072 2.028 0.080
142 HA THR 24 HA THR 24 3.517 2.277 -2.379
143 HB THR 24 HB THR 24 5.719 3.010 -3.097
144 HG1 THR 24 HG1 THR 24 4.678 1.725 -4.603
145 HG21 THR 24 3HG2 THR 24 7.677 1.435 -2.996
146 HG22 THR 24 1HG2 THR 24 6.748 0.446 -1.868
147 HG23 THR 24 2HG2 THR 24 7.190 2.098 -1.436
148 H CYS 25 H CYS 25 2.422 0.448 -2.824
149 HA CYS 25 HA CYS 25 2.824 -1.866 -1.120
150 HB2 CYS 25 2HB CYS 25 0.634 -0.730 -2.600
151 HB3 CYS 25 3HB CYS 25 0.829 -2.423 -3.031
152 H ILE 26 H ILE 26 3.967 -3.592 -1.636
153 HA ILE 26 HA ILE 26 4.552 -4.120 -4.473
154 HB ILE 26 HB ILE 26 6.450 -4.602 -2.166
155 HG12 ILE 26 2HG1 ILE 26 6.182 -2.189 -2.541
156 HG13 ILE 26 3HG1 ILE 26 7.787 -2.721 -3.003
157 HG21 ILE 26 1HG2 ILE 26 8.117 -5.180 -3.768
158 HG22 ILE 26 2HG2 ILE 26 7.065 -4.734 -5.112
159 HG23 ILE 26 3HG2 ILE 26 6.677 -6.140 -4.119
160 HD11 ILE 26 3HD1 ILE 26 5.511 -2.046 -4.866
161 HD12 ILE 26 1HD1 ILE 26 7.086 -2.656 -5.377
162 HD13 ILE 26 2HD1 ILE 26 6.963 -1.088 -4.579
163 HA PRO 27 HA PRO 27 4.607 -5.521 -5.989
164 HB2 PRO 27 2HB PRO 27 2.778 -6.967 -7.354
165 HB3 PRO 27 3HB PRO 27 4.361 -7.616 -6.891
166 HG2 PRO 27 2HG PRO 27 1.707 -8.047 -5.609
167 HG3 PRO 27 3HG PRO 27 3.006 -9.215 -5.930
168 HD2 PRO 27 2HD PRO 27 2.597 -8.088 -3.488
169 HD3 PRO 27 3HD PRO 27 4.191 -8.614 -4.061
170 H GLY 28 H GLY 28 1.470 -5.967 -4.441
171 HA2 GLY 28 2HA GLY 28 -0.032 -4.167 -4.055
172 HA3 GLY 28 3HA GLY 28 0.612 -3.355 -5.474
173 H ASN 29 H ASN 29 0.370 -5.978 -7.008
174 HA ASN 29 HA ASN 29 -2.542 -5.820 -7.467
175 HB2 ASN 29 2HB ASN 29 -0.283 -6.349 -9.408
176 HB3 ASN 29 3HB ASN 29 -1.976 -6.612 -9.810
177 HD21 ASN 29 1HD2 ASN 29 -3.345 -4.846 -10.041
178 HD22 ASN 29 2HD2 ASN 29 -2.741 -3.241 -10.252
179 HA PRO 30 HA PRO 30 -4.407 -6.852 -7.250
180 HB2 PRO 30 2HB PRO 30 -5.696 -8.182 -5.251
181 HB3 PRO 30 3HB PRO 30 -5.759 -8.692 -6.948
182 HG2 PRO 30 2HG PRO 30 -4.095 -9.761 -4.720
183 HG3 PRO 30 3HG PRO 30 -4.964 -10.632 -6.000
184 HD2 PRO 30 2HD PRO 30 -2.298 -10.189 -6.101
185 HD3 PRO 30 3HD PRO 30 -3.310 -10.276 -7.555
186 H ASP 31 H ASP 31 -2.303 -7.877 -4.644
187 HA ASP 31 HA ASP 31 -2.403 -5.247 -3.445
188 HB2 ASP 31 2HB ASP 31 -2.786 -6.172 -1.126
189 HB3 ASP 31 3HB ASP 31 -4.200 -6.184 -2.169
190 H GLY 32 H GLY 32 -0.654 -4.800 -2.058
191 HA2 GLY 32 2HA GLY 32 1.442 -6.854 -1.877
192 HA3 GLY 32 3HA GLY 32 1.823 -5.312 -2.628
193 H THR 33 H THR 33 3.478 -5.397 -0.850
194 HA THR 33 HA THR 33 2.418 -4.621 1.763
195 HB THR 33 HB THR 33 5.039 -4.674 2.232
196 HG1 THR 33 HG1 THR 33 5.207 -5.338 -0.154
197 HG21 THR 33 3HG2 THR 33 4.773 -6.995 2.983
198 HG22 THR 33 1HG2 THR 33 3.293 -7.126 2.031
199 HG23 THR 33 2HG2 THR 33 3.369 -6.011 3.396
200 H CYS 34 H CYS 34 2.617 -2.674 2.616
201 HA CYS 34 HA CYS 34 3.425 -0.494 0.914
202 HB2 CYS 34 2HB CYS 34 2.232 -0.627 3.683
203 HB3 CYS 34 3HB CYS 34 2.691 0.894 2.924
204 H TYR 35 H TYR 35 5.474 -0.091 0.682
205 HA TYR 35 HA TYR 35 7.257 -0.093 3.026
206 HB2 TYR 35 2HB TYR 35 7.778 -0.650 0.112
207 HB3 TYR 35 3HB TYR 35 9.084 -0.190 1.199
208 HD1 TYR 35 HD2 TYR 35 9.403 -1.628 3.316
209 HD2 TYR 35 HD1 TYR 35 7.128 -2.891 -0.057
210 HE1 TYR 35 HE2 TYR 35 9.631 -3.956 4.043
211 HE2 TYR 35 HE1 TYR 35 7.349 -5.227 0.670
212 HH TYR 35 HH TYR 35 8.464 -6.105 3.750
213 H TYR 36 H TYR 36 8.686 1.625 3.333
214 HA TYR 36 HA TYR 36 7.703 4.171 2.391
215 HB2 TYR 36 2HB TYR 36 9.493 3.233 4.512
216 HB3 TYR 36 3HB TYR 36 10.033 4.729 3.756
217 HD1 TYR 36 HD1 TYR 36 8.273 6.634 3.572
218 HD2 TYR 36 HD2 TYR 36 7.871 3.298 6.184
219 HE1 TYR 36 HE1 TYR 36 6.680 7.905 4.941
220 HE2 TYR 36 HE2 TYR 36 6.272 4.562 7.558
221 HH TYR 36 HH TYR 36 4.852 7.462 6.531
222 H LEU 37 H LEU 37 8.454 5.382 0.800
223 HA LEU 37 HA LEU 37 10.571 4.391 -0.883
224 HB2 LEU 37 2HB LEU 37 8.755 6.786 -1.121
225 HB3 LEU 37 3HB LEU 37 9.969 6.373 -2.314
226 HG LEU 37 HG LEU 37 7.913 4.325 -1.594
227 HD11 LEU 37 1HD1 LEU 37 6.603 6.337 -1.945
228 HD12 LEU 37 2HD1 LEU 37 6.414 5.235 -3.309
229 HD13 LEU 37 3HD1 LEU 37 7.454 6.650 -3.457
230 HD21 LEU 37 3HD2 LEU 37 9.754 3.719 -3.081
231 HD22 LEU 37 1HD2 LEU 37 9.329 5.048 -4.160
232 HD23 LEU 37 2HD2 LEU 37 8.214 3.700 -3.941
Start of MODEL 4
1 H1 PCA 1 H1 PCA 1 -9.967 7.377 3.143
2 HA PCA 1 HA PCA 1 -10.438 4.831 3.773
3 HB2 PCA 1 3HB PCA 1 -12.613 4.682 2.769
4 HB3 PCA 1 2HB PCA 1 -11.685 4.299 1.266
5 HG2 PCA 1 3HG PCA 1 -13.689 6.033 2.631
6 HG3 PCA 1 2HG PCA 1 -12.973 6.406 1.041
7 H GLY 2 H GLY 2 -8.839 3.524 2.996
8 HA2 GLY 2 2HA GLY 2 -7.433 2.620 1.305
9 HA3 GLY 2 3HA GLY 2 -7.588 4.122 0.408
10 H CYS 3 H CYS 3 -6.551 3.196 3.688
11 HA CYS 3 HA CYS 3 -3.969 4.507 3.207
12 HB2 CYS 3 2HB CYS 3 -5.800 5.871 4.575
13 HB3 CYS 3 3HB CYS 3 -5.236 4.851 5.893
14 H ALA 4 H ALA 4 -2.495 2.980 3.449
15 HA ALA 4 HA ALA 4 -2.814 1.017 5.625
16 HB1 ALA 4 3HB ALA 4 -2.010 -0.682 4.308
17 HB2 ALA 4 1HB ALA 4 -1.110 0.411 3.257
18 HB3 ALA 4 2HB ALA 4 -2.862 0.286 3.105
19 H PHE 5 H PHE 5 -0.994 0.486 6.850
20 HA PHE 5 HA PHE 5 1.107 2.513 6.873
21 HB2 PHE 5 2HB PHE 5 0.249 0.399 8.851
22 HB3 PHE 5 3HB PHE 5 1.718 1.344 9.067
23 HD1 PHE 5 HD1 PHE 5 -1.937 1.415 9.081
24 HD2 PHE 5 HD2 PHE 5 1.617 3.695 9.617
25 HE1 PHE 5 HE1 PHE 5 -3.250 3.205 10.143
26 HE2 PHE 5 HE2 PHE 5 0.310 5.489 10.679
27 HZ PHE 5 HZ PHE 5 -2.127 5.245 10.944
28 H GLU 6 H GLU 6 3.370 1.598 7.600
29 HA GLU 6 HA GLU 6 4.389 0.046 5.466
30 HB2 GLU 6 2HB GLU 6 5.608 1.786 6.900
31 HB3 GLU 6 3HB GLU 6 5.832 0.500 8.073
32 HG2 GLU 6 2HG GLU 6 6.966 -0.818 6.264
33 HG3 GLU 6 3HG GLU 6 6.896 0.630 5.261
34 H GLY 7 H GLY 7 4.947 -2.035 5.275
35 HA2 GLY 7 2HA GLY 7 5.307 -4.265 5.863
36 HA3 GLY 7 3HA GLY 7 4.931 -3.861 7.530
37 H GLU 8 H GLU 8 2.447 -2.550 5.936
38 HA GLU 8 HA GLU 8 0.713 -4.851 6.412
39 HB2 GLU 8 2HB GLU 8 0.349 -2.383 7.236
40 HB3 GLU 8 3HB GLU 8 -0.275 -2.132 5.613
41 HG2 GLU 8 2HG GLU 8 -1.952 -3.852 5.969
42 HG3 GLU 8 3HG GLU 8 -1.307 -4.167 7.579
43 H SER 9 H SER 9 -0.938 -5.445 4.874
44 HA SER 9 HA SER 9 0.019 -5.244 2.118
45 HB2 SER 9 2HB SER 9 -2.016 -7.112 3.359
46 HB3 SER 9 3HB SER 9 -1.479 -7.165 1.680
47 HG SER 9 HG SER 9 0.698 -7.426 2.612
48 H CYS 10 H CYS 10 -0.845 -3.774 0.843
49 HA CYS 10 HA CYS 10 -3.682 -3.061 1.197
50 HB2 CYS 10 2HB CYS 10 -3.248 -0.818 0.812
51 HB3 CYS 10 3HB CYS 10 -1.807 -1.301 1.694
52 H ASN 11 H ASN 11 -4.865 -2.528 -0.714
53 HA ASN 11 HA ASN 11 -3.923 -3.971 -3.083
54 HB2 ASN 11 2HB ASN 11 -6.722 -3.015 -2.490
55 HB3 ASN 11 3HB ASN 11 -6.234 -4.113 -3.771
56 HD21 ASN 11 1HD2 ASN 11 -6.444 -3.745 -0.284
57 HD22 ASN 11 2HD2 ASN 11 -6.606 -5.429 0.072
58 H VAL 12 H VAL 12 -3.717 -2.979 -5.046
59 HA VAL 12 HA VAL 12 -3.757 -0.063 -4.971
60 HB VAL 12 HB VAL 12 -2.482 -0.106 -7.064
61 HG11 VAL 12 1HG1 VAL 12 -1.379 -1.902 -4.910
62 HG12 VAL 12 2HG1 VAL 12 -1.230 -0.147 -5.010
63 HG13 VAL 12 3HG1 VAL 12 -0.420 -1.170 -6.198
64 HG21 VAL 12 3HG2 VAL 12 -2.372 -3.107 -6.882
65 HG22 VAL 12 1HG2 VAL 12 -1.812 -2.067 -8.193
66 HG23 VAL 12 2HG2 VAL 12 -3.543 -2.263 -7.896
67 H GLU 13 H GLU 13 -6.179 -1.840 -5.231
68 HA GLU 13 HA GLU 13 -7.228 -0.859 -7.802
69 HB2 GLU 13 2HB GLU 13 -8.108 -3.206 -6.113
70 HB3 GLU 13 3HB GLU 13 -8.878 -2.702 -7.608
71 HG2 GLU 13 2HG GLU 13 -5.976 -3.460 -7.542
72 HG3 GLU 13 3HG GLU 13 -7.241 -4.685 -7.637
73 H PHE 14 H PHE 14 -7.732 -0.970 -4.332
74 HA PHE 14 HA PHE 14 -9.814 1.056 -4.535
75 HB2 PHE 14 2HB PHE 14 -11.221 -0.323 -2.831
76 HB3 PHE 14 3HB PHE 14 -11.292 -0.751 -4.535
77 HD1 PHE 14 HD2 PHE 14 -10.232 -2.771 -5.367
78 HD2 PHE 14 HD1 PHE 14 -10.201 -1.797 -1.230
79 HE1 PHE 14 HE2 PHE 14 -9.502 -5.058 -4.841
80 HE2 PHE 14 HE1 PHE 14 -9.463 -4.080 -0.693
81 HZ PHE 14 HZ PHE 14 -9.102 -5.700 -2.505
82 H TYR 15 H TYR 15 -7.918 -0.993 -2.313
83 HA TYR 15 HA TYR 15 -7.813 1.273 -0.429
84 HB2 TYR 15 2HB TYR 15 -8.948 -0.932 0.297
85 HB3 TYR 15 3HB TYR 15 -7.321 -1.589 0.361
86 HD1 TYR 15 HD2 TYR 15 -5.673 -0.644 2.019
87 HD2 TYR 15 HD1 TYR 15 -9.779 0.495 2.008
88 HE1 TYR 15 HE2 TYR 15 -5.430 0.238 4.297
89 HE2 TYR 15 HE1 TYR 15 -9.540 1.381 4.288
90 HH TYR 15 HH TYR 15 -6.529 1.875 5.767
91 HA PRO 16 HA PRO 16 -3.435 0.577 -1.972
92 HB2 PRO 16 2HB PRO 16 -2.857 3.190 -2.474
93 HB3 PRO 16 3HB PRO 16 -3.691 2.158 -3.652
94 HG2 PRO 16 2HG PRO 16 -4.836 4.173 -1.774
95 HG3 PRO 16 3HG PRO 16 -5.225 3.875 -3.480
96 HD2 PRO 16 2HD PRO 16 -6.754 2.936 -1.449
97 HD3 PRO 16 3HD PRO 16 -6.587 2.095 -3.000
98 H CYS 17 H CYS 17 -1.417 2.147 -1.251
99 HA CYS 17 HA CYS 17 -1.268 1.905 1.579
100 HB2 CYS 17 2HB CYS 17 0.586 3.160 -0.452
101 HB3 CYS 17 3HB CYS 17 0.964 3.054 1.260
102 H CYS 18 H CYS 18 -0.089 4.006 2.711
103 HA CYS 18 HA CYS 18 -2.175 6.004 2.789
104 HB2 CYS 18 2HB CYS 18 0.202 5.370 4.494
105 HB3 CYS 18 3HB CYS 18 -0.567 6.949 4.628
106 HA PRO 19 HA PRO 19 0.201 8.665 0.024
107 HB2 PRO 19 2HB PRO 19 -1.705 10.553 -0.351
108 HB3 PRO 19 3HB PRO 19 -1.773 8.966 -1.135
109 HG2 PRO 19 2HG PRO 19 -3.294 9.979 1.201
110 HG3 PRO 19 3HG PRO 19 -3.803 8.878 -0.092
111 HD2 PRO 19 2HD PRO 19 -3.031 8.091 2.451
112 HD3 PRO 19 3HD PRO 19 -3.060 7.043 1.021
113 H GLY 20 H GLY 20 1.133 10.770 0.053
114 HA2 GLY 20 2HA GLY 20 1.646 12.868 0.997
115 HA3 GLY 20 3HA GLY 20 0.723 12.429 2.425
116 H LEU 21 H LEU 21 2.055 9.839 2.730
117 HA LEU 21 HA LEU 21 4.389 10.749 4.172
118 HB2 LEU 21 2HB LEU 21 3.369 7.925 3.918
119 HB3 LEU 21 3HB LEU 21 4.438 8.552 5.147
120 HG LEU 21 HG LEU 21 1.574 9.463 4.859
121 HD11 LEU 21 1HD1 LEU 21 1.662 7.037 5.235
122 HD12 LEU 21 2HD1 LEU 21 0.991 7.907 6.613
123 HD13 LEU 21 3HD1 LEU 21 2.649 7.307 6.671
124 HD21 LEU 21 3HD2 LEU 21 1.860 10.162 7.196
125 HD22 LEU 21 1HD2 LEU 21 3.016 10.964 6.133
126 HD23 LEU 21 2HD2 LEU 21 3.538 9.622 7.151
127 H GLY 22 H GLY 22 3.825 8.080 1.843
128 HA2 GLY 22 2HA GLY 22 5.354 8.290 -0.193
129 HA3 GLY 22 3HA GLY 22 6.639 8.331 1.002
130 H LEU 23 H LEU 23 3.755 6.282 1.167
131 HA LEU 23 HA LEU 23 5.477 3.930 1.301
132 HB2 LEU 23 2HB LEU 23 2.564 4.429 1.881
133 HB3 LEU 23 3HB LEU 23 3.160 2.798 1.689
134 HG LEU 23 HG LEU 23 2.932 3.393 4.040
135 HD11 LEU 23 1HD1 LEU 23 4.973 2.570 4.841
136 HD12 LEU 23 2HD1 LEU 23 5.869 3.214 3.468
137 HD13 LEU 23 3HD1 LEU 23 4.767 1.858 3.241
138 HD21 LEU 23 3HD2 LEU 23 4.824 5.621 3.375
139 HD22 LEU 23 1HD2 LEU 23 4.581 5.032 5.020
140 HD23 LEU 23 2HD2 LEU 23 3.229 5.713 4.118
141 H THR 24 H THR 24 5.077 2.030 0.083
142 HA THR 24 HA THR 24 3.512 2.278 -2.372
143 HB THR 24 HB THR 24 5.716 3.008 -3.091
144 HG1 THR 24 HG1 THR 24 6.125 0.764 -4.345
145 HG21 THR 24 3HG2 THR 24 6.741 0.440 -1.869
146 HG22 THR 24 1HG2 THR 24 7.185 2.090 -1.429
147 HG23 THR 24 2HG2 THR 24 7.673 1.433 -2.991
148 H CYS 25 H CYS 25 2.423 0.446 -2.824
149 HA CYS 25 HA CYS 25 2.821 -1.865 -1.116
150 HB2 CYS 25 2HB CYS 25 0.633 -0.730 -2.597
151 HB3 CYS 25 3HB CYS 25 0.828 -2.424 -3.027
152 H ILE 26 H ILE 26 3.966 -3.591 -1.632
153 HA ILE 26 HA ILE 26 4.553 -4.116 -4.471
154 HB ILE 26 HB ILE 26 6.449 -4.608 -2.163
155 HG12 ILE 26 2HG1 ILE 26 6.187 -2.193 -2.526
156 HG13 ILE 26 3HG1 ILE 26 7.790 -2.726 -2.992
157 HG21 ILE 26 1HG2 ILE 26 6.701 -6.148 -4.087
158 HG22 ILE 26 2HG2 ILE 26 8.123 -5.148 -3.793
159 HG23 ILE 26 3HG2 ILE 26 7.028 -4.754 -5.118
160 HD11 ILE 26 3HD1 ILE 26 5.512 -2.042 -4.852
161 HD12 ILE 26 1HD1 ILE 26 7.089 -2.643 -5.364
162 HD13 ILE 26 2HD1 ILE 26 6.960 -1.080 -4.557
163 HA PRO 27 HA PRO 27 4.608 -5.510 -5.988
164 HB2 PRO 27 2HB PRO 27 2.785 -6.954 -7.361
165 HB3 PRO 27 3HB PRO 27 4.366 -7.604 -6.894
166 HG2 PRO 27 2HG PRO 27 1.707 -8.038 -5.623
167 HG3 PRO 27 3HG PRO 27 3.007 -9.205 -5.942
168 HD2 PRO 27 2HD PRO 27 2.588 -8.082 -3.499
169 HD3 PRO 27 3HD PRO 27 4.183 -8.609 -4.067
170 H GLY 28 H GLY 28 1.472 -5.960 -4.441
171 HA2 GLY 28 2HA GLY 28 -0.035 -4.163 -4.056
172 HA3 GLY 28 3HA GLY 28 0.611 -3.348 -5.471
173 H ASN 29 H ASN 29 0.373 -5.973 -7.006
174 HA ASN 29 HA ASN 29 -2.538 -5.814 -7.472
175 HB2 ASN 29 2HB ASN 29 -0.275 -6.340 -9.408
176 HB3 ASN 29 3HB ASN 29 -1.967 -6.605 -9.814
177 HD21 ASN 29 1HD2 ASN 29 0.490 -4.249 -9.138
178 HD22 ASN 29 2HD2 ASN 29 -0.390 -2.872 -9.699
179 HA PRO 30 HA PRO 30 -4.404 -6.845 -7.256
180 HB2 PRO 30 2HB PRO 30 -5.694 -8.177 -5.258
181 HB3 PRO 30 3HB PRO 30 -5.756 -8.687 -6.955
182 HG2 PRO 30 2HG PRO 30 -4.091 -9.755 -4.729
183 HG3 PRO 30 3HG PRO 30 -4.960 -10.627 -6.007
184 HD2 PRO 30 2HD PRO 30 -2.295 -10.185 -6.111
185 HD3 PRO 30 3HD PRO 30 -3.309 -10.269 -7.564
186 H ASP 31 H ASP 31 -2.304 -7.875 -4.648
187 HA ASP 31 HA ASP 31 -2.405 -5.244 -3.448
188 HB2 ASP 31 2HB ASP 31 -2.784 -6.175 -1.129
189 HB3 ASP 31 3HB ASP 31 -4.200 -6.184 -2.171
190 H GLY 32 H GLY 32 -0.656 -4.800 -2.057
191 HA2 GLY 32 2HA GLY 32 1.441 -6.852 -1.880
192 HA3 GLY 32 3HA GLY 32 1.821 -5.308 -2.629
193 H THR 33 H THR 33 3.476 -5.401 -0.849
194 HA THR 33 HA THR 33 2.417 -4.627 1.764
195 HB THR 33 HB THR 33 5.037 -4.682 2.235
196 HG1 THR 33 HG1 THR 33 5.045 -5.455 -0.211
197 HG21 THR 33 3HG2 THR 33 3.302 -7.141 2.024
198 HG22 THR 33 1HG2 THR 33 3.356 -6.024 3.388
199 HG23 THR 33 2HG2 THR 33 4.773 -6.998 2.987
200 H CYS 34 H CYS 34 2.619 -2.682 2.624
201 HA CYS 34 HA CYS 34 3.424 -0.499 0.924
202 HB2 CYS 34 2HB CYS 34 2.239 -0.638 3.695
203 HB3 CYS 34 3HB CYS 34 2.700 0.885 2.941
204 H TYR 35 H TYR 35 5.470 -0.091 0.687
205 HA TYR 35 HA TYR 35 7.261 -0.098 3.025
206 HB2 TYR 35 2HB TYR 35 7.772 -0.658 0.111
207 HB3 TYR 35 3HB TYR 35 9.082 -0.196 1.191
208 HD1 TYR 35 HD2 TYR 35 9.406 -1.632 3.311
209 HD2 TYR 35 HD1 TYR 35 7.125 -2.901 -0.055
210 HE1 TYR 35 HE2 TYR 35 9.636 -3.958 4.041
211 HE2 TYR 35 HE1 TYR 35 7.349 -5.235 0.673
212 HH TYR 35 HH TYR 35 8.465 -6.110 3.751
213 H TYR 36 H TYR 36 8.684 1.622 3.334
214 HA TYR 36 HA TYR 36 7.703 4.168 2.393
215 HB2 TYR 36 2HB TYR 36 9.497 3.230 4.509
216 HB3 TYR 36 3HB TYR 36 10.032 4.726 3.752
217 HD1 TYR 36 HD1 TYR 36 8.269 6.628 3.573
218 HD2 TYR 36 HD2 TYR 36 7.881 3.292 6.187
219 HE1 TYR 36 HE1 TYR 36 6.676 7.897 4.947
220 HE2 TYR 36 HE2 TYR 36 6.283 4.553 7.565
221 HH TYR 36 HH TYR 36 4.857 7.454 6.541
222 H LEU 37 H LEU 37 8.454 5.388 0.809
223 HA LEU 37 HA LEU 37 10.570 4.397 -0.881
224 HB2 LEU 37 2HB LEU 37 8.747 6.789 -1.117
225 HB3 LEU 37 3HB LEU 37 9.961 6.376 -2.310
226 HG LEU 37 HG LEU 37 7.909 4.326 -1.585
227 HD11 LEU 37 1HD1 LEU 37 6.594 6.335 -1.937
228 HD12 LEU 37 2HD1 LEU 37 6.405 5.233 -3.300
229 HD13 LEU 37 3HD1 LEU 37 7.444 6.649 -3.450
230 HD21 LEU 37 3HD2 LEU 37 8.208 3.695 -3.929
231 HD22 LEU 37 1HD2 LEU 37 9.752 3.726 -3.077
232 HD23 LEU 37 2HD2 LEU 37 9.315 5.049 -4.157
Start of MODEL 5
1 H1 PCA 1 H1 PCA 1 -9.960 7.364 3.235
2 HA PCA 1 HA PCA 1 -10.435 4.803 3.799
3 HB2 PCA 1 3HB PCA 1 -12.611 4.684 2.793
4 HB3 PCA 1 2HB PCA 1 -11.686 4.338 1.281
5 HG2 PCA 1 3HG PCA 1 -13.684 6.040 2.689
6 HG3 PCA 1 2HG PCA 1 -12.968 6.453 1.109
7 H GLY 2 H GLY 2 -8.831 3.520 2.996
8 HA2 GLY 2 2HA GLY 2 -7.424 2.655 1.285
9 HA3 GLY 2 3HA GLY 2 -7.587 4.174 0.416
10 H CYS 3 H CYS 3 -6.548 3.213 3.686
11 HA CYS 3 HA CYS 3 -3.963 4.518 3.217
12 HB2 CYS 3 2HB CYS 3 -5.793 5.890 4.579
13 HB3 CYS 3 3HB CYS 3 -5.236 4.869 5.898
14 H ALA 4 H ALA 4 -2.502 2.976 3.457
15 HA ALA 4 HA ALA 4 -2.845 1.009 5.624
16 HB1 ALA 4 3HB ALA 4 -1.119 0.425 3.266
17 HB2 ALA 4 1HB ALA 4 -2.871 0.284 3.110
18 HB3 ALA 4 2HB ALA 4 -2.010 -0.680 4.311
19 H PHE 5 H PHE 5 -1.021 0.425 6.837
20 HA PHE 5 HA PHE 5 1.064 2.468 6.947
21 HB2 PHE 5 2HB PHE 5 0.252 0.258 8.846
22 HB3 PHE 5 3HB PHE 5 1.663 1.275 9.110
23 HD1 PHE 5 HD2 PHE 5 1.423 3.603 9.728
24 HD2 PHE 5 HD1 PHE 5 -1.987 1.138 9.088
25 HE1 PHE 5 HE2 PHE 5 0.006 5.284 10.832
26 HE2 PHE 5 HE1 PHE 5 -3.410 2.814 10.190
27 HZ PHE 5 HZ PHE 5 -2.414 4.890 11.065
28 H GLU 6 H GLU 6 3.332 1.578 7.623
29 HA GLU 6 HA GLU 6 4.363 0.061 5.468
30 HB2 GLU 6 2HB GLU 6 5.572 1.805 6.894
31 HB3 GLU 6 3HB GLU 6 5.806 0.529 8.076
32 HG2 GLU 6 2HG GLU 6 6.948 -0.789 6.263
33 HG3 GLU 6 3HG GLU 6 6.881 0.665 5.269
34 H GLY 7 H GLY 7 4.932 -2.015 5.256
35 HA2 GLY 7 2HA GLY 7 5.318 -4.246 5.826
36 HA3 GLY 7 3HA GLY 7 4.953 -3.858 7.499
37 H GLU 8 H GLU 8 2.450 -2.556 5.920
38 HA GLU 8 HA GLU 8 0.731 -4.867 6.403
39 HB2 GLU 8 2HB GLU 8 0.353 -2.407 7.233
40 HB3 GLU 8 3HB GLU 8 -0.270 -2.149 5.610
41 HG2 GLU 8 2HG GLU 8 -1.945 -3.872 5.955
42 HG3 GLU 8 3HG GLU 8 -1.299 -4.200 7.561
43 H SER 9 H SER 9 -0.936 -5.454 4.869
44 HA SER 9 HA SER 9 0.016 -5.261 2.110
45 HB2 SER 9 2HB SER 9 -0.407 -7.509 3.142
46 HB3 SER 9 3HB SER 9 -2.117 -7.092 3.234
47 HG SER 9 HG SER 9 -2.305 -7.523 1.188
48 H CYS 10 H CYS 10 -0.843 -3.780 0.843
49 HA CYS 10 HA CYS 10 -3.678 -3.061 1.198
50 HB2 CYS 10 2HB CYS 10 -3.238 -0.820 0.815
51 HB3 CYS 10 3HB CYS 10 -1.796 -1.305 1.694
52 H ASN 11 H ASN 11 -4.863 -2.533 -0.708
53 HA ASN 11 HA ASN 11 -3.926 -3.975 -3.080
54 HB2 ASN 11 2HB ASN 11 -6.725 -3.011 -2.488
55 HB3 ASN 11 3HB ASN 11 -6.237 -4.116 -3.764
56 HD21 ASN 11 1HD2 ASN 11 -6.458 -3.731 -0.280
57 HD22 ASN 11 2HD2 ASN 11 -6.619 -5.414 0.084
58 H VAL 12 H VAL 12 -3.719 -2.985 -5.043
59 HA VAL 12 HA VAL 12 -3.753 -0.069 -4.969
60 HB VAL 12 HB VAL 12 -2.477 -0.116 -7.061
61 HG11 VAL 12 1HG1 VAL 12 -1.232 -0.158 -4.998
62 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.173 -6.190
63 HG13 VAL 12 3HG1 VAL 12 -1.375 -1.914 -4.907
64 HG21 VAL 12 3HG2 VAL 12 -3.538 -2.274 -7.889
65 HG22 VAL 12 1HG2 VAL 12 -2.368 -3.117 -6.874
66 HG23 VAL 12 2HG2 VAL 12 -1.807 -2.080 -8.187
67 H GLU 13 H GLU 13 -6.179 -1.838 -5.230
68 HA GLU 13 HA GLU 13 -7.222 -0.856 -7.803
69 HB2 GLU 13 2HB GLU 13 -8.110 -3.203 -6.120
70 HB3 GLU 13 3HB GLU 13 -8.873 -2.696 -7.617
71 HG2 GLU 13 2HG GLU 13 -5.973 -3.458 -7.543
72 HG3 GLU 13 3HG GLU 13 -7.239 -4.681 -7.643
73 H PHE 14 H PHE 14 -7.737 -0.972 -4.335
74 HA PHE 14 HA PHE 14 -9.817 1.056 -4.543
75 HB2 PHE 14 2HB PHE 14 -11.225 -0.325 -2.840
76 HB3 PHE 14 3HB PHE 14 -11.295 -0.751 -4.544
77 HD1 PHE 14 HD1 PHE 14 -10.235 -2.772 -5.377
78 HD2 PHE 14 HD2 PHE 14 -10.205 -1.799 -1.240
79 HE1 PHE 14 HE1 PHE 14 -9.502 -5.058 -4.851
80 HE2 PHE 14 HE2 PHE 14 -9.474 -4.084 -0.702
81 HZ PHE 14 HZ PHE 14 -9.106 -5.703 -2.515
82 H TYR 15 H TYR 15 -7.920 -0.991 -2.322
83 HA TYR 15 HA TYR 15 -7.820 1.271 -0.432
84 HB2 TYR 15 2HB TYR 15 -8.953 -0.934 0.290
85 HB3 TYR 15 3HB TYR 15 -7.328 -1.593 0.349
86 HD1 TYR 15 HD1 TYR 15 -5.673 -0.650 2.002
87 HD2 TYR 15 HD2 TYR 15 -9.782 0.477 2.013
88 HE1 TYR 15 HE1 TYR 15 -5.423 0.219 4.284
89 HE2 TYR 15 HE2 TYR 15 -9.536 1.353 4.297
90 HH TYR 15 HH TYR 15 -6.520 1.845 5.766
91 HA PRO 16 HA PRO 16 -3.439 0.583 -1.974
92 HB2 PRO 16 2HB PRO 16 -2.865 3.196 -2.475
93 HB3 PRO 16 3HB PRO 16 -3.699 2.165 -3.654
94 HG2 PRO 16 2HG PRO 16 -4.845 4.176 -1.772
95 HG3 PRO 16 3HG PRO 16 -5.233 3.881 -3.479
96 HD2 PRO 16 2HD PRO 16 -6.763 2.937 -1.451
97 HD3 PRO 16 3HD PRO 16 -6.593 2.098 -3.003
98 H CYS 17 H CYS 17 -1.424 2.156 -1.252
99 HA CYS 17 HA CYS 17 -1.273 1.911 1.577
100 HB2 CYS 17 2HB CYS 17 0.579 3.176 -0.451
101 HB3 CYS 17 3HB CYS 17 0.958 3.061 1.259
102 H CYS 18 H CYS 18 -0.088 4.017 2.704
103 HA CYS 18 HA CYS 18 -2.175 6.013 2.789
104 HB2 CYS 18 2HB CYS 18 0.205 5.374 4.487
105 HB3 CYS 18 3HB CYS 18 -0.562 6.953 4.627
106 HA PRO 19 HA PRO 19 0.198 8.678 0.026
107 HB2 PRO 19 2HB PRO 19 -1.706 10.573 -0.338
108 HB3 PRO 19 3HB PRO 19 -1.779 8.986 -1.126
109 HG2 PRO 19 2HG PRO 19 -3.291 9.996 1.218
110 HG3 PRO 19 3HG PRO 19 -3.806 8.900 -0.078
111 HD2 PRO 19 2HD PRO 19 -3.029 8.104 2.461
112 HD3 PRO 19 3HD PRO 19 -3.064 7.060 1.028
113 H GLY 20 H GLY 20 1.139 10.778 0.059
114 HA2 GLY 20 2HA GLY 20 1.658 12.874 1.007
115 HA3 GLY 20 3HA GLY 20 0.736 12.434 2.436
116 H LEU 21 H LEU 21 2.062 9.841 2.735
117 HA LEU 21 HA LEU 21 4.400 10.744 4.177
118 HB2 LEU 21 2HB LEU 21 3.374 7.921 3.914
119 HB3 LEU 21 3HB LEU 21 4.448 8.541 5.142
120 HG LEU 21 HG LEU 21 1.585 9.457 4.865
121 HD11 LEU 21 1HD1 LEU 21 1.666 7.033 5.236
122 HD12 LEU 21 2HD1 LEU 21 1.010 7.899 6.623
123 HD13 LEU 21 3HD1 LEU 21 2.666 7.294 6.664
124 HD21 LEU 21 3HD2 LEU 21 1.878 10.151 7.203
125 HD22 LEU 21 1HD2 LEU 21 3.032 10.955 6.138
126 HD23 LEU 21 2HD2 LEU 21 3.557 9.610 7.151
127 H GLY 22 H GLY 22 3.826 8.090 1.835
128 HA2 GLY 22 2HA GLY 22 5.350 8.294 -0.201
129 HA3 GLY 22 3HA GLY 22 6.639 8.340 0.988
130 H LEU 23 H LEU 23 3.757 6.286 1.153
131 HA LEU 23 HA LEU 23 5.479 3.937 1.295
132 HB2 LEU 23 2HB LEU 23 2.566 4.437 1.866
133 HB3 LEU 23 3HB LEU 23 3.157 2.805 1.670
134 HG LEU 23 HG LEU 23 2.926 3.393 4.022
135 HD11 LEU 23 1HD1 LEU 23 5.866 3.216 3.465
136 HD12 LEU 23 2HD1 LEU 23 4.765 1.862 3.215
137 HD13 LEU 23 3HD1 LEU 23 4.956 2.557 4.824
138 HD21 LEU 23 3HD2 LEU 23 4.578 5.029 5.008
139 HD22 LEU 23 1HD2 LEU 23 3.224 5.712 4.109
140 HD23 LEU 23 2HD2 LEU 23 4.820 5.621 3.365
141 H THR 24 H THR 24 5.075 2.028 0.077
142 HA THR 24 HA THR 24 3.522 2.277 -2.383
143 HB THR 24 HB THR 24 5.724 3.009 -3.100
144 HG1 THR 24 HG1 THR 24 4.479 0.862 -4.073
145 HG21 THR 24 3HG2 THR 24 7.682 1.435 -2.997
146 HG22 THR 24 1HG2 THR 24 6.752 0.446 -1.868
147 HG23 THR 24 2HG2 THR 24 7.195 2.099 -1.437
148 H CYS 25 H CYS 25 2.426 0.447 -2.826
149 HA CYS 25 HA CYS 25 2.827 -1.866 -1.121
150 HB2 CYS 25 2HB CYS 25 0.637 -0.730 -2.600
151 HB3 CYS 25 3HB CYS 25 0.833 -2.423 -3.032
152 H ILE 26 H ILE 26 3.970 -3.592 -1.637
153 HA ILE 26 HA ILE 26 4.556 -4.123 -4.475
154 HB ILE 26 HB ILE 26 6.453 -4.601 -2.167
155 HG12 ILE 26 2HG1 ILE 26 6.185 -2.189 -2.544
156 HG13 ILE 26 3HG1 ILE 26 7.791 -2.721 -3.005
157 HG21 ILE 26 1HG2 ILE 26 6.674 -6.139 -4.125
158 HG22 ILE 26 2HG2 ILE 26 8.117 -5.191 -3.759
159 HG23 ILE 26 3HG2 ILE 26 7.078 -4.732 -5.110
160 HD11 ILE 26 3HD1 ILE 26 6.969 -1.091 -4.585
161 HD12 ILE 26 1HD1 ILE 26 5.515 -2.048 -4.870
162 HD13 ILE 26 2HD1 ILE 26 7.087 -2.661 -5.380
163 HA PRO 27 HA PRO 27 4.609 -5.524 -5.988
164 HB2 PRO 27 2HB PRO 27 2.779 -6.971 -7.351
165 HB3 PRO 27 3HB PRO 27 4.362 -7.619 -6.890
166 HG2 PRO 27 2HG PRO 27 1.710 -8.050 -5.605
167 HG3 PRO 27 3HG PRO 27 3.009 -9.217 -5.927
168 HD2 PRO 27 2HD PRO 27 2.600 -8.090 -3.484
169 HD3 PRO 27 3HD PRO 27 4.194 -8.615 -4.060
170 H GLY 28 H GLY 28 1.472 -5.971 -4.440
171 HA2 GLY 28 2HA GLY 28 -0.030 -4.169 -4.055
172 HA3 GLY 28 3HA GLY 28 0.614 -3.358 -5.474
173 H ASN 29 H ASN 29 0.372 -5.981 -7.005
174 HA ASN 29 HA ASN 29 -2.541 -5.823 -7.463
175 HB2 ASN 29 2HB ASN 29 -0.282 -6.353 -9.405
176 HB3 ASN 29 3HB ASN 29 -1.976 -6.617 -9.807
177 HD21 ASN 29 1HD2 ASN 29 0.482 -4.261 -9.132
178 HD22 ASN 29 2HD2 ASN 29 -0.396 -2.884 -9.696
179 HA PRO 30 HA PRO 30 -4.406 -6.855 -7.245
180 HB2 PRO 30 2HB PRO 30 -5.694 -8.183 -5.244
181 HB3 PRO 30 3HB PRO 30 -5.758 -8.695 -6.941
182 HG2 PRO 30 2HG PRO 30 -4.092 -9.762 -4.714
183 HG3 PRO 30 3HG PRO 30 -4.962 -10.635 -5.993
184 HD2 PRO 30 2HD PRO 30 -2.296 -10.191 -6.096
185 HD3 PRO 30 3HD PRO 30 -3.309 -10.280 -7.548
186 H ASP 31 H ASP 31 -2.301 -7.878 -4.639
187 HA ASP 31 HA ASP 31 -2.400 -5.247 -3.442
188 HB2 ASP 31 2HB ASP 31 -2.782 -6.170 -1.122
189 HB3 ASP 31 3HB ASP 31 -4.198 -6.183 -2.164
190 H GLY 32 H GLY 32 -0.650 -4.799 -2.058
191 HA2 GLY 32 2HA GLY 32 1.446 -6.853 -1.875
192 HA3 GLY 32 3HA GLY 32 1.827 -5.311 -2.627
193 H THR 33 H THR 33 3.482 -5.397 -0.850
194 HA THR 33 HA THR 33 2.423 -4.619 1.762
195 HB THR 33 HB THR 33 5.042 -4.670 2.235
196 HG1 THR 33 HG1 THR 33 5.743 -6.645 0.959
197 HG21 THR 33 3HG2 THR 33 4.778 -6.993 2.981
198 HG22 THR 33 1HG2 THR 33 3.300 -7.124 2.028
199 HG23 THR 33 2HG2 THR 33 3.371 -6.011 3.395
200 H CYS 34 H CYS 34 2.622 -2.672 2.616
201 HA CYS 34 HA CYS 34 3.428 -0.492 0.911
202 HB2 CYS 34 2HB CYS 34 2.236 -0.626 3.681
203 HB3 CYS 34 3HB CYS 34 2.694 0.896 2.923
204 H TYR 35 H TYR 35 5.478 -0.089 0.680
205 HA TYR 35 HA TYR 35 7.260 -0.089 3.022
206 HB2 TYR 35 2HB TYR 35 7.782 -0.649 0.111
207 HB3 TYR 35 3HB TYR 35 9.088 -0.186 1.195
208 HD1 TYR 35 HD1 TYR 35 9.410 -1.621 3.313
209 HD2 TYR 35 HD2 TYR 35 7.134 -2.892 -0.055
210 HE1 TYR 35 HE1 TYR 35 9.643 -3.947 4.044
211 HE2 TYR 35 HE2 TYR 35 7.356 -5.225 0.675
212 HH TYR 35 HH TYR 35 8.867 -6.590 2.059
213 H TYR 36 H TYR 36 8.680 1.631 3.336
214 HA TYR 36 HA TYR 36 7.701 4.176 2.391
215 HB2 TYR 36 2HB TYR 36 9.484 3.240 4.515
216 HB3 TYR 36 3HB TYR 36 10.030 4.732 3.759
217 HD1 TYR 36 HD2 TYR 36 8.276 6.642 3.566
218 HD2 TYR 36 HD1 TYR 36 7.856 3.311 6.183
219 HE1 TYR 36 HE2 TYR 36 6.683 7.921 4.930
220 HE2 TYR 36 HE1 TYR 36 6.258 4.582 7.550
221 HH TYR 36 HH TYR 36 5.691 6.928 8.018
222 H LEU 37 H LEU 37 8.452 5.388 0.801
223 HA LEU 37 HA LEU 37 10.575 4.399 -0.879
224 HB2 LEU 37 2HB LEU 37 8.754 6.791 -1.121
225 HB3 LEU 37 3HB LEU 37 9.972 6.378 -2.311
226 HG LEU 37 HG LEU 37 7.917 4.328 -1.593
227 HD11 LEU 37 1HD1 LEU 37 6.605 6.339 -1.951
228 HD12 LEU 37 2HD1 LEU 37 6.419 5.233 -3.312
229 HD13 LEU 37 3HD1 LEU 37 7.459 6.650 -3.462
230 HD21 LEU 37 3HD2 LEU 37 9.339 5.051 -4.158
231 HD22 LEU 37 1HD2 LEU 37 8.225 3.701 -3.940
232 HD23 LEU 37 2HD2 LEU 37 9.762 3.723 -3.076
Start of MODEL 6
1 H1 PCA 1 H1 PCA 1 -10.265 7.125 3.995
2 HA PCA 1 HA PCA 1 -10.438 4.760 3.807
3 HB2 PCA 1 3HB PCA 1 -12.617 4.662 2.807
4 HB3 PCA 1 2HB PCA 1 -11.699 4.347 1.284
5 HG2 PCA 1 3HG PCA 1 -13.687 6.024 2.740
6 HG3 PCA 1 2HG PCA 1 -12.981 6.466 1.164
7 H GLY 2 H GLY 2 -8.818 3.513 3.003
8 HA2 GLY 2 2HA GLY 2 -7.420 2.663 1.274
9 HA3 GLY 2 3HA GLY 2 -7.591 4.189 0.421
10 H CYS 3 H CYS 3 -6.550 3.220 3.686
11 HA CYS 3 HA CYS 3 -3.962 4.522 3.218
12 HB2 CYS 3 2HB CYS 3 -5.792 5.895 4.581
13 HB3 CYS 3 3HB CYS 3 -5.236 4.872 5.899
14 H ALA 4 H ALA 4 -2.504 2.978 3.457
15 HA ALA 4 HA ALA 4 -2.849 1.010 5.625
16 HB1 ALA 4 3HB ALA 4 -1.123 0.426 3.266
17 HB2 ALA 4 1HB ALA 4 -2.875 0.286 3.111
18 HB3 ALA 4 2HB ALA 4 -2.014 -0.678 4.310
19 H PHE 5 H PHE 5 -1.024 0.424 6.837
20 HA PHE 5 HA PHE 5 1.061 2.466 6.949
21 HB2 PHE 5 2HB PHE 5 0.249 0.254 8.845
22 HB3 PHE 5 3HB PHE 5 1.661 1.271 9.111
23 HD1 PHE 5 HD2 PHE 5 -1.989 1.133 9.088
24 HD2 PHE 5 HD1 PHE 5 1.419 3.599 9.730
25 HE1 PHE 5 HE2 PHE 5 -3.413 2.807 10.193
26 HE2 PHE 5 HE1 PHE 5 0.002 5.277 10.836
27 HZ PHE 5 HZ PHE 5 -2.419 4.883 11.069
28 H GLU 6 H GLU 6 3.330 1.575 7.625
29 HA GLU 6 HA GLU 6 4.359 0.061 5.467
30 HB2 GLU 6 2HB GLU 6 5.568 1.805 6.893
31 HB3 GLU 6 3HB GLU 6 5.802 0.530 8.075
32 HG2 GLU 6 2HG GLU 6 6.944 -0.788 6.259
33 HG3 GLU 6 3HG GLU 6 6.881 0.669 5.270
34 H GLY 7 H GLY 7 4.930 -2.014 5.253
35 HA2 GLY 7 2HA GLY 7 5.318 -4.246 5.819
36 HA3 GLY 7 3HA GLY 7 4.955 -3.859 7.494
37 H GLU 8 H GLU 8 2.449 -2.558 5.917
38 HA GLU 8 HA GLU 8 0.732 -4.870 6.401
39 HB2 GLU 8 2HB GLU 8 0.353 -2.411 7.233
40 HB3 GLU 8 3HB GLU 8 -0.271 -2.153 5.610
41 HG2 GLU 8 2HG GLU 8 -1.946 -3.874 5.954
42 HG3 GLU 8 3HG GLU 8 -1.298 -4.206 7.560
43 H SER 9 H SER 9 -0.937 -5.456 4.868
44 HA SER 9 HA SER 9 0.013 -5.267 2.110
45 HB2 SER 9 2HB SER 9 -0.413 -7.514 3.142
46 HB3 SER 9 3HB SER 9 -2.123 -7.094 3.237
47 HG SER 9 HG SER 9 -2.311 -7.302 1.119
48 H CYS 10 H CYS 10 -0.842 -3.782 0.844
49 HA CYS 10 HA CYS 10 -3.678 -3.060 1.198
50 HB2 CYS 10 2HB CYS 10 -3.236 -0.820 0.818
51 HB3 CYS 10 3HB CYS 10 -1.793 -1.307 1.695
52 H ASN 11 H ASN 11 -4.864 -2.536 -0.708
53 HA ASN 11 HA ASN 11 -3.926 -3.976 -3.079
54 HB2 ASN 11 2HB ASN 11 -6.724 -3.012 -2.488
55 HB3 ASN 11 3HB ASN 11 -6.236 -4.119 -3.763
56 HD21 ASN 11 1HD2 ASN 11 -6.457 -3.731 -0.280
57 HD22 ASN 11 2HD2 ASN 11 -6.618 -5.415 0.087
58 H VAL 12 H VAL 12 -3.719 -2.986 -5.043
59 HA VAL 12 HA VAL 12 -3.755 -0.070 -4.969
60 HB VAL 12 HB VAL 12 -2.477 -0.116 -7.060
61 HG11 VAL 12 1HG1 VAL 12 -1.377 -1.908 -4.901
62 HG12 VAL 12 2HG1 VAL 12 -1.230 -0.153 -5.001
63 HG13 VAL 12 3HG1 VAL 12 -0.416 -1.177 -6.187
64 HG21 VAL 12 3HG2 VAL 12 -2.358 -3.116 -6.872
65 HG22 VAL 12 1HG2 VAL 12 -1.810 -2.076 -8.188
66 HG23 VAL 12 2HG2 VAL 12 -3.538 -2.281 -7.883
67 H GLU 13 H GLU 13 -6.179 -1.838 -5.229
68 HA GLU 13 HA GLU 13 -7.222 -0.855 -7.803
69 HB2 GLU 13 2HB GLU 13 -8.111 -3.203 -6.122
70 HB3 GLU 13 3HB GLU 13 -8.872 -2.697 -7.619
71 HG2 GLU 13 2HG GLU 13 -5.971 -3.456 -7.542
72 HG3 GLU 13 3HG GLU 13 -7.236 -4.681 -7.643
73 H PHE 14 H PHE 14 -7.737 -0.973 -4.335
74 HA PHE 14 HA PHE 14 -9.818 1.054 -4.542
75 HB2 PHE 14 2HB PHE 14 -11.226 -0.329 -2.839
76 HB3 PHE 14 3HB PHE 14 -11.296 -0.755 -4.543
77 HD1 PHE 14 HD2 PHE 14 -10.236 -2.774 -5.376
78 HD2 PHE 14 HD1 PHE 14 -10.203 -1.803 -1.239
79 HE1 PHE 14 HE2 PHE 14 -9.506 -5.061 -4.850
80 HE2 PHE 14 HE1 PHE 14 -9.464 -4.086 -0.703
81 HZ PHE 14 HZ PHE 14 -9.104 -5.705 -2.516
82 H TYR 15 H TYR 15 -7.921 -0.994 -2.320
83 HA TYR 15 HA TYR 15 -7.822 1.268 -0.430
84 HB2 TYR 15 2HB TYR 15 -8.953 -0.938 0.292
85 HB3 TYR 15 3HB TYR 15 -7.326 -1.596 0.348
86 HD1 TYR 15 HD2 TYR 15 -5.672 -0.651 2.001
87 HD2 TYR 15 HD1 TYR 15 -9.781 0.471 2.015
88 HE1 TYR 15 HE2 TYR 15 -5.421 0.218 4.284
89 HE2 TYR 15 HE1 TYR 15 -9.536 1.345 4.300
90 HH TYR 15 HH TYR 15 -8.065 1.032 6.245
91 HA PRO 16 HA PRO 16 -3.440 0.584 -1.976
92 HB2 PRO 16 2HB PRO 16 -2.868 3.198 -2.474
93 HB3 PRO 16 3HB PRO 16 -3.701 2.167 -3.654
94 HG2 PRO 16 2HG PRO 16 -4.849 4.176 -1.771
95 HG3 PRO 16 3HG PRO 16 -5.236 3.881 -3.479
96 HD2 PRO 16 2HD PRO 16 -6.766 2.934 -1.453
97 HD3 PRO 16 3HD PRO 16 -6.594 2.096 -3.004
98 H CYS 17 H CYS 17 -1.426 2.159 -1.254
99 HA CYS 17 HA CYS 17 -1.274 1.912 1.576
100 HB2 CYS 17 2HB CYS 17 0.577 3.178 -0.452
101 HB3 CYS 17 3HB CYS 17 0.956 3.062 1.258
102 H CYS 18 H CYS 18 -0.088 4.017 2.703
103 HA CYS 18 HA CYS 18 -2.176 6.014 2.789
104 HB2 CYS 18 2HB CYS 18 0.205 5.374 4.487
105 HB3 CYS 18 3HB CYS 18 -0.561 6.954 4.627
106 HA PRO 19 HA PRO 19 0.199 8.680 0.027
107 HB2 PRO 19 2HB PRO 19 -1.702 10.575 -0.336
108 HB3 PRO 19 3HB PRO 19 -1.777 8.989 -1.126
109 HG2 PRO 19 2HG PRO 19 -3.288 9.998 1.219
110 HG3 PRO 19 3HG PRO 19 -3.805 8.903 -0.077
111 HD2 PRO 19 2HD PRO 19 -3.027 8.106 2.462
112 HD3 PRO 19 3HD PRO 19 -3.063 7.062 1.028
113 H GLY 20 H GLY 20 1.138 10.782 0.059
114 HA2 GLY 20 2HA GLY 20 1.660 12.875 1.009
115 HA3 GLY 20 3HA GLY 20 0.739 12.435 2.437
116 H LEU 21 H LEU 21 2.064 9.841 2.736
117 HA LEU 21 HA LEU 21 4.402 10.742 4.177
118 HB2 LEU 21 2HB LEU 21 3.374 7.920 3.913
119 HB3 LEU 21 3HB LEU 21 4.449 8.539 5.141
120 HG LEU 21 HG LEU 21 1.587 9.456 4.866
121 HD11 LEU 21 1HD1 LEU 21 2.667 7.291 6.662
122 HD12 LEU 21 2HD1 LEU 21 1.667 7.031 5.234
123 HD13 LEU 21 3HD1 LEU 21 1.011 7.896 6.622
124 HD21 LEU 21 3HD2 LEU 21 3.559 9.607 7.152
125 HD22 LEU 21 1HD2 LEU 21 1.881 10.147 7.204
126 HD23 LEU 21 2HD2 LEU 21 3.033 10.953 6.140
127 H GLY 22 H GLY 22 3.825 8.090 1.833
128 HA2 GLY 22 2HA GLY 22 5.349 8.294 -0.203
129 HA3 GLY 22 3HA GLY 22 6.639 8.340 0.986
130 H LEU 23 H LEU 23 3.757 6.286 1.151
131 HA LEU 23 HA LEU 23 5.479 3.936 1.293
132 HB2 LEU 23 2HB LEU 23 2.566 4.438 1.864
133 HB3 LEU 23 3HB LEU 23 3.156 2.806 1.667
134 HG LEU 23 HG LEU 23 2.926 3.393 4.021
135 HD11 LEU 23 1HD1 LEU 23 5.866 3.217 3.465
136 HD12 LEU 23 2HD1 LEU 23 4.767 1.862 3.209
137 HD13 LEU 23 3HD1 LEU 23 4.956 2.553 4.820
138 HD21 LEU 23 3HD2 LEU 23 4.580 5.027 5.006
139 HD22 LEU 23 1HD2 LEU 23 3.226 5.712 4.108
140 HD23 LEU 23 2HD2 LEU 23 4.820 5.620 3.363
141 H THR 24 H THR 24 5.079 2.030 0.076
142 HA THR 24 HA THR 24 3.525 2.277 -2.385
143 HB THR 24 HB THR 24 5.730 3.008 -3.100
144 HG1 THR 24 HG1 THR 24 4.419 1.090 -4.192
145 HG21 THR 24 3HG2 THR 24 7.199 2.101 -1.437
146 HG22 THR 24 1HG2 THR 24 7.687 1.433 -2.996
147 HG23 THR 24 2HG2 THR 24 6.756 0.448 -1.864
148 H CYS 25 H CYS 25 2.428 0.447 -2.825
149 HA CYS 25 HA CYS 25 2.829 -1.864 -1.120
150 HB2 CYS 25 2HB CYS 25 0.640 -0.729 -2.598
151 HB3 CYS 25 3HB CYS 25 0.834 -2.422 -3.031
152 H ILE 26 H ILE 26 3.971 -3.592 -1.635
153 HA ILE 26 HA ILE 26 4.557 -4.123 -4.473
154 HB ILE 26 HB ILE 26 6.454 -4.605 -2.165
155 HG12 ILE 26 2HG1 ILE 26 6.188 -2.191 -2.540
156 HG13 ILE 26 3HG1 ILE 26 7.793 -2.723 -3.003
157 HG21 ILE 26 1HG2 ILE 26 7.072 -4.737 -5.110
158 HG22 ILE 26 2HG2 ILE 26 6.677 -6.141 -4.121
159 HG23 ILE 26 3HG2 ILE 26 8.120 -5.188 -3.763
160 HD11 ILE 26 3HD1 ILE 26 5.513 -2.046 -4.863
161 HD12 ILE 26 1HD1 ILE 26 7.086 -2.660 -5.377
162 HD13 ILE 26 2HD1 ILE 26 6.968 -1.091 -4.579
163 HA PRO 27 HA PRO 27 4.610 -5.523 -5.987
164 HB2 PRO 27 2HB PRO 27 2.780 -6.970 -7.352
165 HB3 PRO 27 3HB PRO 27 4.362 -7.617 -6.889
166 HG2 PRO 27 2HG PRO 27 1.709 -8.049 -5.607
167 HG3 PRO 27 3HG PRO 27 3.008 -9.216 -5.928
168 HD2 PRO 27 2HD PRO 27 2.597 -8.088 -3.485
169 HD3 PRO 27 3HD PRO 27 4.191 -8.615 -4.059
170 H GLY 28 H GLY 28 1.472 -5.970 -4.440
171 HA2 GLY 28 2HA GLY 28 -0.029 -4.168 -4.054
172 HA3 GLY 28 3HA GLY 28 0.615 -3.358 -5.474
173 H ASN 29 H ASN 29 0.374 -5.977 -7.007
174 HA ASN 29 HA ASN 29 -2.540 -5.823 -7.464
175 HB2 ASN 29 2HB ASN 29 -0.282 -6.353 -9.407
176 HB3 ASN 29 3HB ASN 29 -1.976 -6.614 -9.807
177 HD21 ASN 29 1HD2 ASN 29 0.486 -4.263 -9.134
178 HD22 ASN 29 2HD2 ASN 29 -0.389 -2.884 -9.696
179 HA PRO 30 HA PRO 30 -4.404 -6.855 -7.246
180 HB2 PRO 30 2HB PRO 30 -5.691 -8.186 -5.245
181 HB3 PRO 30 3HB PRO 30 -5.754 -8.698 -6.942
182 HG2 PRO 30 2HG PRO 30 -4.087 -9.763 -4.715
183 HG3 PRO 30 3HG PRO 30 -4.956 -10.637 -5.993
184 HD2 PRO 30 2HD PRO 30 -2.292 -10.191 -6.096
185 HD3 PRO 30 3HD PRO 30 -3.304 -10.280 -7.549
186 H ASP 31 H ASP 31 -2.298 -7.878 -4.641
187 HA ASP 31 HA ASP 31 -2.399 -5.246 -3.442
188 HB2 ASP 31 2HB ASP 31 -2.784 -6.170 -1.123
189 HB3 ASP 31 3HB ASP 31 -4.198 -6.184 -2.167
190 H GLY 32 H GLY 32 -0.650 -4.799 -2.056
191 HA2 GLY 32 2HA GLY 32 1.446 -6.854 -1.872
192 HA3 GLY 32 3HA GLY 32 1.828 -5.313 -2.625
193 H THR 33 H THR 33 3.482 -5.396 -0.849
194 HA THR 33 HA THR 33 2.424 -4.617 1.765
195 HB THR 33 HB THR 33 5.043 -4.668 2.235
196 HG1 THR 33 HG1 THR 33 5.698 -6.680 0.947
197 HG21 THR 33 3HG2 THR 33 4.779 -6.989 2.986
198 HG22 THR 33 1HG2 THR 33 3.300 -7.123 2.032
199 HG23 THR 33 2HG2 THR 33 3.372 -6.008 3.397
200 H CYS 34 H CYS 34 2.622 -2.670 2.616
201 HA CYS 34 HA CYS 34 3.428 -0.491 0.909
202 HB2 CYS 34 2HB CYS 34 2.237 -0.622 3.680
203 HB3 CYS 34 3HB CYS 34 2.695 0.898 2.920
204 H TYR 35 H TYR 35 5.479 -0.090 0.678
205 HA TYR 35 HA TYR 35 7.261 -0.088 3.021
206 HB2 TYR 35 2HB TYR 35 7.783 -0.650 0.109
207 HB3 TYR 35 3HB TYR 35 9.089 -0.187 1.195
208 HD1 TYR 35 HD1 TYR 35 9.408 -1.621 3.314
209 HD2 TYR 35 HD2 TYR 35 7.136 -2.892 -0.056
210 HE1 TYR 35 HE1 TYR 35 9.640 -3.948 4.045
211 HE2 TYR 35 HE2 TYR 35 7.357 -5.225 0.675
212 HH TYR 35 HH TYR 35 8.861 -6.590 2.059
213 H TYR 36 H TYR 36 8.680 1.632 3.336
214 HA TYR 36 HA TYR 36 7.699 4.176 2.390
215 HB2 TYR 36 2HB TYR 36 9.485 3.241 4.513
216 HB3 TYR 36 3HB TYR 36 10.030 4.732 3.757
217 HD1 TYR 36 HD2 TYR 36 8.276 6.643 3.565
218 HD2 TYR 36 HD1 TYR 36 7.857 3.312 6.181
219 HE1 TYR 36 HE2 TYR 36 6.682 7.921 4.928
220 HE2 TYR 36 HE1 TYR 36 6.259 4.583 7.550
221 HH TYR 36 HH TYR 36 5.693 6.931 8.016
222 H LEU 37 H LEU 37 8.452 5.391 0.803
223 HA LEU 37 HA LEU 37 10.574 4.404 -0.879
224 HB2 LEU 37 2HB LEU 37 8.749 6.793 -1.120
225 HB3 LEU 37 3HB LEU 37 9.968 6.384 -2.311
226 HG LEU 37 HG LEU 37 7.915 4.331 -1.594
227 HD11 LEU 37 1HD1 LEU 37 7.458 6.650 -3.465
228 HD12 LEU 37 2HD1 LEU 37 6.602 6.339 -1.956
229 HD13 LEU 37 3HD1 LEU 37 6.420 5.232 -3.317
230 HD21 LEU 37 3HD2 LEU 37 8.227 3.701 -3.938
231 HD22 LEU 37 1HD2 LEU 37 9.762 3.724 -3.072
232 HD23 LEU 37 2HD2 LEU 37 9.341 5.050 -4.156
Start of MODEL 7
1 H1 PCA 1 H1 PCA 1 -11.933 3.461 3.136
2 HA PCA 1 HA PCA 1 -11.389 5.778 3.066
3 HB2 PCA 1 3HB PCA 1 -10.687 6.023 5.348
4 HB3 PCA 1 2HB PCA 1 -9.022 5.992 4.644
5 HG2 PCA 1 3HG PCA 1 -10.980 4.823 6.562
6 HG3 PCA 1 2HG PCA 1 -9.416 4.069 6.157
7 H GLY 2 H GLY 2 -8.844 3.288 3.116
8 HA2 GLY 2 2HA GLY 2 -7.482 2.736 1.261
9 HA3 GLY 2 3HA GLY 2 -7.774 4.335 0.596
10 H CYS 3 H CYS 3 -6.565 3.213 3.753
11 HA CYS 3 HA CYS 3 -3.997 4.529 3.234
12 HB2 CYS 3 2HB CYS 3 -5.788 5.913 4.637
13 HB3 CYS 3 3HB CYS 3 -5.208 4.888 5.944
14 H ALA 4 H ALA 4 -2.531 2.987 3.455
15 HA ALA 4 HA ALA 4 -2.852 1.010 5.617
16 HB1 ALA 4 3HB ALA 4 -2.871 0.318 3.083
17 HB2 ALA 4 1HB ALA 4 -2.035 -0.668 4.285
18 HB3 ALA 4 2HB ALA 4 -1.121 0.439 3.265
19 H PHE 5 H PHE 5 -1.027 0.432 6.827
20 HA PHE 5 HA PHE 5 1.057 2.476 6.934
21 HB2 PHE 5 2HB PHE 5 0.243 0.273 8.837
22 HB3 PHE 5 3HB PHE 5 1.657 1.287 9.098
23 HD1 PHE 5 HD2 PHE 5 1.421 3.616 9.712
24 HD2 PHE 5 HD1 PHE 5 -1.993 1.156 9.079
25 HE1 PHE 5 HE2 PHE 5 0.008 5.302 10.814
26 HE2 PHE 5 HE1 PHE 5 -3.413 2.839 10.179
27 HZ PHE 5 HZ PHE 5 -2.412 4.914 11.049
28 H GLU 6 H GLU 6 3.324 1.580 7.621
29 HA GLU 6 HA GLU 6 4.355 0.061 5.464
30 HB2 GLU 6 2HB GLU 6 5.563 1.806 6.892
31 HB3 GLU 6 3HB GLU 6 5.798 0.530 8.072
32 HG2 GLU 6 2HG GLU 6 6.937 -0.787 6.254
33 HG3 GLU 6 3HG GLU 6 6.873 0.671 5.266
34 H GLY 7 H GLY 7 4.931 -2.015 5.259
35 HA2 GLY 7 2HA GLY 7 5.314 -4.245 5.831
36 HA3 GLY 7 3HA GLY 7 4.947 -3.854 7.504
37 H GLU 8 H GLU 8 2.445 -2.557 5.919
38 HA GLU 8 HA GLU 8 0.729 -4.871 6.399
39 HB2 GLU 8 2HB GLU 8 0.345 -2.417 7.240
40 HB3 GLU 8 3HB GLU 8 -0.274 -2.151 5.618
41 HG2 GLU 8 2HG GLU 8 -1.949 -3.878 5.950
42 HG3 GLU 8 3HG GLU 8 -1.305 -4.211 7.558
43 H SER 9 H SER 9 -0.938 -5.455 4.864
44 HA SER 9 HA SER 9 0.014 -5.257 2.107
45 HB2 SER 9 2HB SER 9 -2.030 -7.114 3.350
46 HB3 SER 9 3HB SER 9 -1.494 -7.169 1.672
47 HG SER 9 HG SER 9 0.706 -7.238 2.972
48 H CYS 10 H CYS 10 -0.841 -3.777 0.837
49 HA CYS 10 HA CYS 10 -3.677 -3.054 1.189
50 HB2 CYS 10 2HB CYS 10 -3.233 -0.813 0.807
51 HB3 CYS 10 3HB CYS 10 -1.793 -1.301 1.687
52 H ASN 11 H ASN 11 -4.860 -2.528 -0.719
53 HA ASN 11 HA ASN 11 -3.922 -3.973 -3.088
54 HB2 ASN 11 2HB ASN 11 -6.719 -3.005 -2.499
55 HB3 ASN 11 3HB ASN 11 -6.232 -4.112 -3.774
56 HD21 ASN 11 1HD2 ASN 11 -6.457 -3.727 -0.292
57 HD22 ASN 11 2HD2 ASN 11 -6.619 -5.409 0.073
58 H VAL 12 H VAL 12 -3.712 -2.986 -5.052
59 HA VAL 12 HA VAL 12 -3.743 -0.069 -4.982
60 HB VAL 12 HB VAL 12 -2.464 -0.119 -7.073
61 HG11 VAL 12 1HG1 VAL 12 -1.220 -0.160 -5.010
62 HG12 VAL 12 2HG1 VAL 12 -0.406 -1.181 -6.198
63 HG13 VAL 12 3HG1 VAL 12 -1.368 -1.915 -4.914
64 HG21 VAL 12 3HG2 VAL 12 -1.797 -2.085 -8.194
65 HG22 VAL 12 1HG2 VAL 12 -3.527 -2.277 -7.901
66 HG23 VAL 12 2HG2 VAL 12 -2.360 -3.121 -6.882
67 H GLU 13 H GLU 13 -6.170 -1.835 -5.242
68 HA GLU 13 HA GLU 13 -7.211 -0.854 -7.817
69 HB2 GLU 13 2HB GLU 13 -8.102 -3.199 -6.132
70 HB3 GLU 13 3HB GLU 13 -8.863 -2.692 -7.631
71 HG2 GLU 13 2HG GLU 13 -5.963 -3.458 -7.550
72 HG3 GLU 13 3HG GLU 13 -7.231 -4.679 -7.654
73 H PHE 14 H PHE 14 -7.724 -0.962 -4.349
74 HA PHE 14 HA PHE 14 -9.803 1.066 -4.559
75 HB2 PHE 14 2HB PHE 14 -11.216 -0.312 -2.856
76 HB3 PHE 14 3HB PHE 14 -11.284 -0.740 -4.561
77 HD1 PHE 14 HD2 PHE 14 -10.228 -2.761 -5.390
78 HD2 PHE 14 HD1 PHE 14 -10.197 -1.787 -1.255
79 HE1 PHE 14 HE2 PHE 14 -9.503 -5.050 -4.862
80 HE2 PHE 14 HE1 PHE 14 -9.463 -4.070 -0.715
81 HZ PHE 14 HZ PHE 14 -9.105 -5.692 -2.526
82 H TYR 15 H TYR 15 -7.911 -0.983 -2.335
83 HA TYR 15 HA TYR 15 -7.809 1.281 -0.446
84 HB2 TYR 15 2HB TYR 15 -8.948 -0.921 0.276
85 HB3 TYR 15 3HB TYR 15 -7.324 -1.584 0.337
86 HD1 TYR 15 HD2 TYR 15 -5.675 -0.661 1.997
87 HD2 TYR 15 HD1 TYR 15 -9.770 0.512 1.989
88 HE1 TYR 15 HE2 TYR 15 -5.425 0.211 4.279
89 HE2 TYR 15 HE1 TYR 15 -9.526 1.389 4.272
90 HH TYR 15 HH TYR 15 -6.510 1.852 5.753
91 HA PRO 16 HA PRO 16 -3.429 0.581 -1.985
92 HB2 PRO 16 2HB PRO 16 -2.849 3.193 -2.490
93 HB3 PRO 16 3HB PRO 16 -3.685 2.162 -3.667
94 HG2 PRO 16 2HG PRO 16 -4.827 4.178 -1.787
95 HG3 PRO 16 3HG PRO 16 -5.215 3.883 -3.495
96 HD2 PRO 16 2HD PRO 16 -6.747 2.944 -1.466
97 HD3 PRO 16 3HD PRO 16 -6.579 2.103 -3.017
98 H CYS 17 H CYS 17 -1.412 2.155 -1.265
99 HA CYS 17 HA CYS 17 -1.259 1.910 1.564
100 HB2 CYS 17 2HB CYS 17 0.590 3.172 -0.469
101 HB3 CYS 17 3HB CYS 17 0.970 3.063 1.242
102 H CYS 18 H CYS 18 -0.080 4.011 2.696
103 HA CYS 18 HA CYS 18 -2.166 6.006 2.783
104 HB2 CYS 18 2HB CYS 18 0.219 5.371 4.476
105 HB3 CYS 18 3HB CYS 18 -0.547 6.950 4.616
106 HA PRO 19 HA PRO 19 0.194 8.676 0.013
107 HB2 PRO 19 2HB PRO 19 -1.716 10.563 -0.349
108 HB3 PRO 19 3HB PRO 19 -1.787 8.976 -1.136
109 HG2 PRO 19 2HG PRO 19 -3.297 9.984 1.210
110 HG3 PRO 19 3HG PRO 19 -3.811 8.885 -0.084
111 HD2 PRO 19 2HD PRO 19 -3.026 8.095 2.455
112 HD3 PRO 19 3HD PRO 19 -3.061 7.049 1.024
113 H GLY 20 H GLY 20 1.142 10.767 0.048
114 HA2 GLY 20 2HA GLY 20 1.656 12.867 0.990
115 HA3 GLY 20 3HA GLY 20 0.735 12.429 2.420
116 H LEU 21 H LEU 21 2.064 9.838 2.724
117 HA LEU 21 HA LEU 21 4.400 10.746 4.164
118 HB2 LEU 21 2HB LEU 21 3.378 7.922 3.905
119 HB3 LEU 21 3HB LEU 21 4.452 8.545 5.132
120 HG LEU 21 HG LEU 21 1.587 9.455 4.855
121 HD11 LEU 21 1HD1 LEU 21 2.675 7.301 6.660
122 HD12 LEU 21 2HD1 LEU 21 1.677 7.031 5.233
123 HD13 LEU 21 3HD1 LEU 21 1.016 7.900 6.618
124 HD21 LEU 21 3HD2 LEU 21 3.561 9.621 7.138
125 HD22 LEU 21 1HD2 LEU 21 1.881 10.156 7.190
126 HD23 LEU 21 2HD2 LEU 21 3.030 10.961 6.122
127 H GLY 22 H GLY 22 3.832 8.085 1.828
128 HA2 GLY 22 2HA GLY 22 5.358 8.290 -0.208
129 HA3 GLY 22 3HA GLY 22 6.646 8.337 0.983
130 H LEU 23 H LEU 23 3.763 6.283 1.146
131 HA LEU 23 HA LEU 23 5.486 3.934 1.291
132 HB2 LEU 23 2HB LEU 23 2.573 4.435 1.860
133 HB3 LEU 23 3HB LEU 23 3.164 2.804 1.667
134 HG LEU 23 HG LEU 23 2.930 3.395 4.018
135 HD11 LEU 23 1HD1 LEU 23 5.870 3.214 3.462
136 HD12 LEU 23 2HD1 LEU 23 4.768 1.861 3.214
137 HD13 LEU 23 3HD1 LEU 23 4.960 2.557 4.822
138 HD21 LEU 23 3HD2 LEU 23 4.829 5.619 3.360
139 HD22 LEU 23 1HD2 LEU 23 4.582 5.029 5.004
140 HD23 LEU 23 2HD2 LEU 23 3.232 5.713 4.101
141 H THR 24 H THR 24 5.082 2.025 0.075
142 HA THR 24 HA THR 24 3.531 2.272 -2.386
143 HB THR 24 HB THR 24 5.735 3.001 -3.101
144 HG1 THR 24 HG1 THR 24 5.060 1.869 -4.769
145 HG21 THR 24 3HG2 THR 24 7.692 1.424 -2.996
146 HG22 THR 24 1HG2 THR 24 6.759 0.439 -1.867
147 HG23 THR 24 2HG2 THR 24 7.203 2.091 -1.437
148 H CYS 25 H CYS 25 2.436 0.442 -2.831
149 HA CYS 25 HA CYS 25 2.832 -1.869 -1.123
150 HB2 CYS 25 2HB CYS 25 0.645 -0.733 -2.607
151 HB3 CYS 25 3HB CYS 25 0.839 -2.427 -3.035
152 H ILE 26 H ILE 26 3.974 -3.597 -1.635
153 HA ILE 26 HA ILE 26 4.563 -4.131 -4.472
154 HB ILE 26 HB ILE 26 6.457 -4.609 -2.161
155 HG12 ILE 26 2HG1 ILE 26 6.192 -2.196 -2.543
156 HG13 ILE 26 3HG1 ILE 26 7.797 -2.731 -2.999
157 HG21 ILE 26 1HG2 ILE 26 7.086 -4.744 -5.103
158 HG22 ILE 26 2HG2 ILE 26 6.677 -6.148 -4.119
159 HG23 ILE 26 3HG2 ILE 26 8.123 -5.204 -3.751
160 HD11 ILE 26 3HD1 ILE 26 5.525 -2.059 -4.870
161 HD12 ILE 26 1HD1 ILE 26 7.100 -2.671 -5.375
162 HD13 ILE 26 2HD1 ILE 26 6.978 -1.101 -4.582
163 HA PRO 27 HA PRO 27 4.616 -5.533 -5.985
164 HB2 PRO 27 2HB PRO 27 2.786 -6.980 -7.349
165 HB3 PRO 27 3HB PRO 27 4.367 -7.629 -6.885
166 HG2 PRO 27 2HG PRO 27 1.713 -8.056 -5.603
167 HG3 PRO 27 3HG PRO 27 3.011 -9.225 -5.923
168 HD2 PRO 27 2HD PRO 27 2.602 -8.094 -3.481
169 HD3 PRO 27 3HD PRO 27 4.195 -8.622 -4.054
170 H GLY 28 H GLY 28 1.475 -5.976 -4.441
171 HA2 GLY 28 2HA GLY 28 -0.023 -4.171 -4.059
172 HA3 GLY 28 3HA GLY 28 0.622 -3.364 -5.478
173 H ASN 29 H ASN 29 0.378 -5.987 -7.007
174 HA ASN 29 HA ASN 29 -2.534 -5.827 -7.468
175 HB2 ASN 29 2HB ASN 29 -0.275 -6.363 -9.407
176 HB3 ASN 29 3HB ASN 29 -1.968 -6.624 -9.810
177 HD21 ASN 29 1HD2 ASN 29 0.493 -4.272 -9.135
178 HD22 ASN 29 2HD2 ASN 29 -0.382 -2.894 -9.701
179 HA PRO 30 HA PRO 30 -4.401 -6.856 -7.250
180 HB2 PRO 30 2HB PRO 30 -5.691 -8.181 -5.248
181 HB3 PRO 30 3HB PRO 30 -5.755 -8.695 -6.944
182 HG2 PRO 30 2HG PRO 30 -4.092 -9.761 -4.715
183 HG3 PRO 30 3HG PRO 30 -4.962 -10.635 -5.994
184 HD2 PRO 30 2HD PRO 30 -2.295 -10.194 -6.094
185 HD3 PRO 30 3HD PRO 30 -3.308 -10.283 -7.548
186 H ASP 31 H ASP 31 -2.299 -7.879 -4.641
187 HA ASP 31 HA ASP 31 -2.397 -5.246 -3.447
188 HB2 ASP 31 2HB ASP 31 -2.781 -6.166 -1.126
189 HB3 ASP 31 3HB ASP 31 -4.195 -6.179 -2.170
190 H GLY 32 H GLY 32 -0.646 -4.798 -2.061
191 HA2 GLY 32 2HA GLY 32 1.447 -6.855 -1.875
192 HA3 GLY 32 3HA GLY 32 1.830 -5.314 -2.628
193 H THR 33 H THR 33 3.483 -5.401 -0.848
194 HA THR 33 HA THR 33 2.422 -4.621 1.763
195 HB THR 33 HB THR 33 5.040 -4.674 2.238
196 HG1 THR 33 HG1 THR 33 5.531 -5.219 0.030
197 HG21 THR 33 3HG2 THR 33 3.296 -7.127 2.031
198 HG22 THR 33 1HG2 THR 33 3.367 -6.013 3.397
199 HG23 THR 33 2HG2 THR 33 4.772 -6.997 2.985
200 H CYS 34 H CYS 34 2.622 -2.673 2.616
201 HA CYS 34 HA CYS 34 3.432 -0.495 0.910
202 HB2 CYS 34 2HB CYS 34 2.235 -0.627 3.677
203 HB3 CYS 34 3HB CYS 34 2.697 0.894 2.922
204 H TYR 35 H TYR 35 5.482 -0.094 0.680
205 HA TYR 35 HA TYR 35 7.263 -0.093 3.025
206 HB2 TYR 35 2HB TYR 35 7.786 -0.656 0.114
207 HB3 TYR 35 3HB TYR 35 9.091 -0.193 1.200
208 HD1 TYR 35 HD1 TYR 35 9.411 -1.626 3.319
209 HD2 TYR 35 HD2 TYR 35 7.137 -2.899 -0.051
210 HE1 TYR 35 HE1 TYR 35 9.641 -3.951 4.052
211 HE2 TYR 35 HE2 TYR 35 7.357 -5.231 0.682
212 HH TYR 35 HH TYR 35 8.473 -6.101 3.765
213 H TYR 36 H TYR 36 8.682 1.628 3.339
214 HA TYR 36 HA TYR 36 7.705 4.172 2.391
215 HB2 TYR 36 2HB TYR 36 9.486 3.236 4.517
216 HB3 TYR 36 3HB TYR 36 10.034 4.727 3.760
217 HD1 TYR 36 HD2 TYR 36 8.280 6.638 3.564
218 HD2 TYR 36 HD1 TYR 36 7.858 3.311 6.184
219 HE1 TYR 36 HE2 TYR 36 6.686 7.919 4.924
220 HE2 TYR 36 HE1 TYR 36 6.261 4.585 7.550
221 HH TYR 36 HH TYR 36 5.693 6.931 8.014
222 H LEU 37 H LEU 37 8.459 5.382 0.801
223 HA LEU 37 HA LEU 37 10.584 4.391 -0.875
224 HB2 LEU 37 2HB LEU 37 8.764 6.783 -1.122
225 HB3 LEU 37 3HB LEU 37 9.983 6.371 -2.310
226 HG LEU 37 HG LEU 37 7.928 4.321 -1.594
227 HD11 LEU 37 1HD1 LEU 37 6.432 5.225 -3.315
228 HD12 LEU 37 2HD1 LEU 37 7.473 6.641 -3.464
229 HD13 LEU 37 3HD1 LEU 37 6.616 6.330 -1.954
230 HD21 LEU 37 3HD2 LEU 37 9.774 3.714 -3.073
231 HD22 LEU 37 1HD2 LEU 37 9.352 5.041 -4.156
232 HD23 LEU 37 2HD2 LEU 37 8.237 3.691 -3.938
Start of MODEL 8
1 H1 PCA 1 H1 PCA 1 -10.910 6.349 4.314
2 HA PCA 1 HA PCA 1 -10.412 4.028 4.144
3 HB2 PCA 1 3HB PCA 1 -12.560 3.281 3.376
4 HB3 PCA 1 2HB PCA 1 -11.747 3.196 1.766
5 HG2 PCA 1 3HG PCA 1 -13.977 4.275 3.420
6 HG3 PCA 1 2HG PCA 1 -13.588 4.854 1.779
7 H GLY 2 H GLY 2 -8.573 3.293 3.186
8 HA2 GLY 2 2HA GLY 2 -7.378 2.837 1.074
9 HA3 GLY 2 3HA GLY 2 -7.764 4.483 0.603
10 H CYS 3 H CYS 3 -6.524 3.190 3.675
11 HA CYS 3 HA CYS 3 -3.965 4.541 3.233
12 HB2 CYS 3 2HB CYS 3 -5.784 5.908 4.619
13 HB3 CYS 3 3HB CYS 3 -5.218 4.874 5.926
14 H ALA 4 H ALA 4 -2.513 2.986 3.445
15 HA ALA 4 HA ALA 4 -2.846 1.001 5.599
16 HB1 ALA 4 3HB ALA 4 -2.023 -0.668 4.266
17 HB2 ALA 4 1HB ALA 4 -1.071 0.439 3.279
18 HB3 ALA 4 2HB ALA 4 -2.816 0.333 3.049
19 H PHE 5 H PHE 5 -1.015 0.400 6.803
20 HA PHE 5 HA PHE 5 1.056 2.459 6.951
21 HB2 PHE 5 2HB PHE 5 0.230 0.243 8.834
22 HB3 PHE 5 3HB PHE 5 1.640 1.257 9.114
23 HD1 PHE 5 HD1 PHE 5 1.395 3.583 9.738
24 HD2 PHE 5 HD2 PHE 5 -2.011 1.121 9.062
25 HE1 PHE 5 HE1 PHE 5 -0.032 5.259 10.839
26 HE2 PHE 5 HE2 PHE 5 -3.443 2.793 10.161
27 HZ PHE 5 HZ PHE 5 -2.453 4.865 11.050
28 H GLU 6 H GLU 6 3.323 1.584 7.623
29 HA GLU 6 HA GLU 6 4.365 0.066 5.476
30 HB2 GLU 6 2HB GLU 6 5.566 1.813 6.901
31 HB3 GLU 6 3HB GLU 6 5.793 0.543 8.091
32 HG2 GLU 6 2HG GLU 6 6.944 -0.783 6.284
33 HG3 GLU 6 3HG GLU 6 6.891 0.673 5.293
34 H GLY 7 H GLY 7 4.934 -2.010 5.264
35 HA2 GLY 7 2HA GLY 7 5.322 -4.240 5.831
36 HA3 GLY 7 3HA GLY 7 4.959 -3.854 7.505
37 H GLU 8 H GLU 8 2.453 -2.556 5.920
38 HA GLU 8 HA GLU 8 0.738 -4.871 6.406
39 HB2 GLU 8 2HB GLU 8 0.357 -2.415 7.247
40 HB3 GLU 8 3HB GLU 8 -0.269 -2.152 5.626
41 HG2 GLU 8 2HG GLU 8 -1.941 -3.878 5.967
42 HG3 GLU 8 3HG GLU 8 -1.291 -4.212 7.571
43 H SER 9 H SER 9 -0.934 -5.450 4.873
44 HA SER 9 HA SER 9 0.015 -5.253 2.114
45 HB2 SER 9 2HB SER 9 -2.030 -7.108 3.358
46 HB3 SER 9 3HB SER 9 -1.493 -7.164 1.679
47 HG SER 9 HG SER 9 0.608 -7.615 2.441
48 H CYS 10 H CYS 10 -0.848 -3.789 0.832
49 HA CYS 10 HA CYS 10 -3.681 -3.060 1.191
50 HB2 CYS 10 2HB CYS 10 -3.239 -0.820 0.810
51 HB3 CYS 10 3HB CYS 10 -1.795 -1.307 1.686
52 H ASN 11 H ASN 11 -4.865 -2.534 -0.718
53 HA ASN 11 HA ASN 11 -3.925 -3.975 -3.088
54 HB2 ASN 11 2HB ASN 11 -6.723 -3.010 -2.502
55 HB3 ASN 11 3HB ASN 11 -6.234 -4.118 -3.775
56 HD21 ASN 11 1HD2 ASN 11 -6.460 -3.728 -0.292
57 HD22 ASN 11 2HD2 ASN 11 -6.623 -5.410 0.075
58 H VAL 12 H VAL 12 -3.716 -2.984 -5.051
59 HA VAL 12 HA VAL 12 -3.748 -0.067 -4.973
60 HB VAL 12 HB VAL 12 -2.469 -0.111 -7.064
61 HG11 VAL 12 1HG1 VAL 12 -0.409 -1.164 -6.190
62 HG12 VAL 12 2HG1 VAL 12 -1.367 -1.915 -4.914
63 HG13 VAL 12 3HG1 VAL 12 -1.230 -0.157 -4.994
64 HG21 VAL 12 3HG2 VAL 12 -2.360 -3.112 -6.878
65 HG22 VAL 12 1HG2 VAL 12 -1.796 -2.075 -8.189
66 HG23 VAL 12 2HG2 VAL 12 -3.527 -2.269 -7.897
67 H GLU 13 H GLU 13 -6.174 -1.839 -5.244
68 HA GLU 13 HA GLU 13 -7.212 -0.846 -7.814
69 HB2 GLU 13 2HB GLU 13 -8.104 -3.201 -6.144
70 HB3 GLU 13 3HB GLU 13 -8.862 -2.688 -7.640
71 HG2 GLU 13 2HG GLU 13 -5.962 -3.449 -7.561
72 HG3 GLU 13 3HG GLU 13 -7.228 -4.673 -7.671
73 H PHE 14 H PHE 14 -7.732 -0.977 -4.348
74 HA PHE 14 HA PHE 14 -9.815 1.048 -4.550
75 HB2 PHE 14 2HB PHE 14 -11.225 -0.341 -2.855
76 HB3 PHE 14 3HB PHE 14 -11.291 -0.760 -4.563
77 HD1 PHE 14 HD2 PHE 14 -10.232 -2.776 -5.401
78 HD2 PHE 14 HD1 PHE 14 -10.200 -1.820 -1.260
79 HE1 PHE 14 HE2 PHE 14 -9.501 -5.066 -4.884
80 HE2 PHE 14 HE1 PHE 14 -9.462 -4.105 -0.732
81 HZ PHE 14 HZ PHE 14 -9.101 -5.718 -2.551
82 H TYR 15 H TYR 15 -7.916 -1.003 -2.335
83 HA TYR 15 HA TYR 15 -7.828 1.250 -0.434
84 HB2 TYR 15 2HB TYR 15 -8.952 -0.963 0.275
85 HB3 TYR 15 3HB TYR 15 -7.323 -1.618 0.328
86 HD1 TYR 15 HD1 TYR 15 -5.665 -0.653 1.976
87 HD2 TYR 15 HD2 TYR 15 -9.791 0.404 2.020
88 HE1 TYR 15 HE1 TYR 15 -5.417 0.199 4.266
89 HE2 TYR 15 HE2 TYR 15 -9.549 1.263 4.310
90 HH TYR 15 HH TYR 15 -8.064 0.955 6.246
91 HA PRO 16 HA PRO 16 -3.441 0.589 -1.978
92 HB2 PRO 16 2HB PRO 16 -2.880 3.206 -2.470
93 HB3 PRO 16 3HB PRO 16 -3.710 2.176 -3.651
94 HG2 PRO 16 2HG PRO 16 -4.865 4.174 -1.761
95 HG3 PRO 16 3HG PRO 16 -5.251 3.886 -3.470
96 HD2 PRO 16 2HD PRO 16 -6.777 2.925 -1.447
97 HD3 PRO 16 3HD PRO 16 -6.602 2.093 -3.002
98 H CYS 17 H CYS 17 -1.431 2.159 -1.250
99 HA CYS 17 HA CYS 17 -1.282 1.913 1.580
100 HB2 CYS 17 2HB CYS 17 0.573 3.181 -0.443
101 HB3 CYS 17 3HB CYS 17 0.950 3.056 1.267
102 H CYS 18 H CYS 18 -0.086 4.023 2.698
103 HA CYS 18 HA CYS 18 -2.173 6.021 2.788
104 HB2 CYS 18 2HB CYS 18 0.215 5.387 4.480
105 HB3 CYS 18 3HB CYS 18 -0.559 6.962 4.622
106 HA PRO 19 HA PRO 19 0.201 8.677 0.015
107 HB2 PRO 19 2HB PRO 19 -1.701 10.571 -0.356
108 HB3 PRO 19 3HB PRO 19 -1.777 8.981 -1.138
109 HG2 PRO 19 2HG PRO 19 -3.284 10.002 1.204
110 HG3 PRO 19 3HG PRO 19 -3.804 8.903 -0.087
111 HD2 PRO 19 2HD PRO 19 -3.025 8.113 2.454
112 HD3 PRO 19 3HD PRO 19 -3.063 7.065 1.023
113 H GLY 20 H GLY 20 1.143 10.776 0.042
114 HA2 GLY 20 2HA GLY 20 1.665 12.874 0.983
115 HA3 GLY 20 3HA GLY 20 0.743 12.439 2.414
116 H LEU 21 H LEU 21 2.067 9.846 2.723
117 HA LEU 21 HA LEU 21 4.404 10.752 4.162
118 HB2 LEU 21 2HB LEU 21 3.378 7.929 3.905
119 HB3 LEU 21 3HB LEU 21 4.452 8.551 5.132
120 HG LEU 21 HG LEU 21 1.589 9.465 4.854
121 HD11 LEU 21 1HD1 LEU 21 1.673 7.041 5.229
122 HD12 LEU 21 2HD1 LEU 21 1.015 7.909 6.615
123 HD13 LEU 21 3HD1 LEU 21 2.671 7.307 6.658
124 HD21 LEU 21 3HD2 LEU 21 3.563 9.625 7.138
125 HD22 LEU 21 1HD2 LEU 21 1.883 10.164 7.191
126 HD23 LEU 21 2HD2 LEU 21 3.034 10.967 6.123
127 H GLY 22 H GLY 22 3.835 8.086 1.832
128 HA2 GLY 22 2HA GLY 22 5.365 8.290 -0.204
129 HA3 GLY 22 3HA GLY 22 6.650 8.334 0.990
130 H LEU 23 H LEU 23 3.763 6.286 1.147
131 HA LEU 23 HA LEU 23 5.480 3.934 1.294
132 HB2 LEU 23 2HB LEU 23 2.566 4.439 1.860
133 HB3 LEU 23 3HB LEU 23 3.156 2.806 1.666
134 HG LEU 23 HG LEU 23 2.921 3.399 4.018
135 HD11 LEU 23 1HD1 LEU 23 4.951 2.561 4.825
136 HD12 LEU 23 2HD1 LEU 23 5.860 3.210 3.463
137 HD13 LEU 23 3HD1 LEU 23 4.755 1.859 3.219
138 HD21 LEU 23 3HD2 LEU 23 3.229 5.718 4.103
139 HD22 LEU 23 1HD2 LEU 23 4.827 5.619 3.361
140 HD23 LEU 23 2HD2 LEU 23 4.578 5.029 5.005
141 H THR 24 H THR 24 5.078 2.026 0.078
142 HA THR 24 HA THR 24 3.530 2.273 -2.386
143 HB THR 24 HB THR 24 5.737 3.002 -3.098
144 HG1 THR 24 HG1 THR 24 6.111 1.374 -4.690
145 HG21 THR 24 3HG2 THR 24 7.692 1.425 -2.988
146 HG22 THR 24 1HG2 THR 24 6.757 0.438 -1.863
147 HG23 THR 24 2HG2 THR 24 7.201 2.090 -1.430
148 H CYS 25 H CYS 25 2.433 0.445 -2.828
149 HA CYS 25 HA CYS 25 2.828 -1.866 -1.121
150 HB2 CYS 25 2HB CYS 25 0.642 -0.729 -2.603
151 HB3 CYS 25 3HB CYS 25 0.836 -2.422 -3.036
152 H ILE 26 H ILE 26 3.971 -3.594 -1.634
153 HA ILE 26 HA ILE 26 4.561 -4.126 -4.471
154 HB ILE 26 HB ILE 26 6.452 -4.609 -2.159
155 HG12 ILE 26 2HG1 ILE 26 6.189 -2.196 -2.538
156 HG13 ILE 26 3HG1 ILE 26 7.795 -2.731 -2.994
157 HG21 ILE 26 1HG2 ILE 26 8.120 -5.200 -3.749
158 HG22 ILE 26 2HG2 ILE 26 7.082 -4.741 -5.100
159 HG23 ILE 26 3HG2 ILE 26 6.675 -6.147 -4.117
160 HD11 ILE 26 3HD1 ILE 26 6.983 -1.100 -4.576
161 HD12 ILE 26 1HD1 ILE 26 5.524 -2.052 -4.863
162 HD13 ILE 26 2HD1 ILE 26 7.095 -2.671 -5.371
163 HA PRO 27 HA PRO 27 4.613 -5.527 -5.984
164 HB2 PRO 27 2HB PRO 27 2.783 -6.972 -7.351
165 HB3 PRO 27 3HB PRO 27 4.365 -7.622 -6.885
166 HG2 PRO 27 2HG PRO 27 1.710 -8.048 -5.605
167 HG3 PRO 27 3HG PRO 27 3.006 -9.219 -5.926
168 HD2 PRO 27 2HD PRO 27 2.601 -8.094 -3.483
169 HD3 PRO 27 3HD PRO 27 4.194 -8.618 -4.059
170 H GLY 28 H GLY 28 1.474 -5.970 -4.440
171 HA2 GLY 28 2HA GLY 28 -0.028 -4.168 -4.058
172 HA3 GLY 28 3HA GLY 28 0.620 -3.357 -5.475
173 H ASN 29 H ASN 29 0.379 -5.976 -7.011
174 HA ASN 29 HA ASN 29 -2.534 -5.818 -7.473
175 HB2 ASN 29 2HB ASN 29 -0.273 -6.346 -9.413
176 HB3 ASN 29 3HB ASN 29 -1.965 -6.606 -9.817
177 HD21 ASN 29 1HD2 ASN 29 -3.332 -4.836 -10.044
178 HD22 ASN 29 2HD2 ASN 29 -2.726 -3.232 -10.254
179 HA PRO 30 HA PRO 30 -4.399 -6.851 -7.260
180 HB2 PRO 30 2HB PRO 30 -5.689 -8.182 -5.262
181 HB3 PRO 30 3HB PRO 30 -5.751 -8.691 -6.961
182 HG2 PRO 30 2HG PRO 30 -4.087 -9.762 -4.732
183 HG3 PRO 30 3HG PRO 30 -4.955 -10.633 -6.013
184 HD2 PRO 30 2HD PRO 30 -2.290 -10.189 -6.113
185 HD3 PRO 30 3HD PRO 30 -3.302 -10.275 -7.566
186 H ASP 31 H ASP 31 -2.298 -7.877 -4.652
187 HA ASP 31 HA ASP 31 -2.399 -5.247 -3.450
188 HB2 ASP 31 2HB ASP 31 -2.786 -6.173 -1.132
189 HB3 ASP 31 3HB ASP 31 -4.199 -6.184 -2.178
190 H GLY 32 H GLY 32 -0.652 -4.801 -2.061
191 HA2 GLY 32 2HA GLY 32 1.442 -6.856 -1.876
192 HA3 GLY 32 3HA GLY 32 1.826 -5.315 -2.627
193 H THR 33 H THR 33 3.478 -5.400 -0.848
194 HA THR 33 HA THR 33 2.416 -4.621 1.763
195 HB THR 33 HB THR 33 5.036 -4.674 2.235
196 HG1 THR 33 HG1 THR 33 4.792 -5.771 -0.230
197 HG21 THR 33 3HG2 THR 33 3.363 -6.008 3.400
198 HG22 THR 33 1HG2 THR 33 4.766 -6.993 2.990
199 HG23 THR 33 2HG2 THR 33 3.287 -7.125 2.037
200 H CYS 34 H CYS 34 2.610 -2.672 2.613
201 HA CYS 34 HA CYS 34 3.423 -0.494 0.909
202 HB2 CYS 34 2HB CYS 34 2.227 -0.623 3.676
203 HB3 CYS 34 3HB CYS 34 2.684 0.896 2.913
204 H TYR 35 H TYR 35 5.476 -0.096 0.682
205 HA TYR 35 HA TYR 35 7.252 -0.095 3.030
206 HB2 TYR 35 2HB TYR 35 7.780 -0.658 0.120
207 HB3 TYR 35 3HB TYR 35 9.084 -0.197 1.210
208 HD1 TYR 35 HD2 TYR 35 9.395 -1.632 3.329
209 HD2 TYR 35 HD1 TYR 35 7.129 -2.900 -0.047
210 HE1 TYR 35 HE2 TYR 35 9.618 -3.958 4.063
211 HE2 TYR 35 HE1 TYR 35 7.344 -5.233 0.685
212 HH TYR 35 HH TYR 35 8.451 -6.106 3.771
213 H TYR 36 H TYR 36 8.681 1.622 3.339
214 HA TYR 36 HA TYR 36 7.704 4.169 2.394
215 HB2 TYR 36 2HB TYR 36 9.488 3.230 4.518
216 HB3 TYR 36 3HB TYR 36 10.032 4.723 3.761
217 HD1 TYR 36 HD2 TYR 36 8.277 6.632 3.570
218 HD2 TYR 36 HD1 TYR 36 7.860 3.301 6.186
219 HE1 TYR 36 HE2 TYR 36 6.683 7.909 4.934
220 HE2 TYR 36 HE1 TYR 36 6.262 4.570 7.555
221 HH TYR 36 HH TYR 36 4.849 7.469 6.520
222 H LEU 37 H LEU 37 8.459 5.380 0.805
223 HA LEU 37 HA LEU 37 10.580 4.385 -0.874
224 HB2 LEU 37 2HB LEU 37 8.764 6.781 -1.119
225 HB3 LEU 37 3HB LEU 37 9.981 6.365 -2.308
226 HG LEU 37 HG LEU 37 7.921 4.320 -1.589
227 HD11 LEU 37 1HD1 LEU 37 7.471 6.642 -3.459
228 HD12 LEU 37 2HD1 LEU 37 6.614 6.333 -1.949
229 HD13 LEU 37 3HD1 LEU 37 6.427 5.228 -3.311
230 HD21 LEU 37 3HD2 LEU 37 9.346 5.036 -4.154
231 HD22 LEU 37 1HD2 LEU 37 8.228 3.690 -3.935
232 HD23 LEU 37 2HD2 LEU 37 9.766 3.710 -3.071
Start of MODEL 9
1 H1 PCA 1 H1 PCA 1 -11.934 3.506 3.109
2 HA PCA 1 HA PCA 1 -11.370 5.818 3.025
3 HB2 PCA 1 3HB PCA 1 -10.677 6.076 5.307
4 HB3 PCA 1 2HB PCA 1 -9.010 6.027 4.612
5 HG2 PCA 1 3HG PCA 1 -10.985 4.888 6.528
6 HG3 PCA 1 2HG PCA 1 -9.426 4.118 6.137
7 H GLY 2 H GLY 2 -8.845 3.310 3.106
8 HA2 GLY 2 2HA GLY 2 -7.477 2.731 1.264
9 HA3 GLY 2 3HA GLY 2 -7.755 4.326 0.582
10 H CYS 3 H CYS 3 -6.567 3.223 3.752
11 HA CYS 3 HA CYS 3 -3.993 4.529 3.235
12 HB2 CYS 3 2HB CYS 3 -5.786 5.916 4.635
13 HB3 CYS 3 3HB CYS 3 -5.209 4.890 5.943
14 H ALA 4 H ALA 4 -2.531 2.986 3.458
15 HA ALA 4 HA ALA 4 -2.855 1.012 5.622
16 HB1 ALA 4 3HB ALA 4 -1.129 0.434 3.264
17 HB2 ALA 4 1HB ALA 4 -2.881 0.314 3.092
18 HB3 ALA 4 2HB ALA 4 -2.041 -0.669 4.291
19 H PHE 5 H PHE 5 -1.032 0.436 6.833
20 HA PHE 5 HA PHE 5 1.055 2.476 6.935
21 HB2 PHE 5 2HB PHE 5 0.240 0.275 8.840
22 HB3 PHE 5 3HB PHE 5 1.657 1.286 9.099
23 HD1 PHE 5 HD2 PHE 5 1.430 3.616 9.712
24 HD2 PHE 5 HD1 PHE 5 -1.994 1.166 9.084
25 HE1 PHE 5 HE2 PHE 5 0.023 5.306 10.814
26 HE2 PHE 5 HE1 PHE 5 -3.407 2.853 10.185
27 HZ PHE 5 HZ PHE 5 -2.399 4.926 11.053
28 H GLU 6 H GLU 6 3.322 1.579 7.620
29 HA GLU 6 HA GLU 6 4.350 0.061 5.463
30 HB2 GLU 6 2HB GLU 6 5.561 1.805 6.891
31 HB3 GLU 6 3HB GLU 6 5.797 0.527 8.068
32 HG2 GLU 6 2HG GLU 6 6.933 -0.787 6.245
33 HG3 GLU 6 3HG GLU 6 6.868 0.674 5.261
34 H GLY 7 H GLY 7 4.930 -2.016 5.258
35 HA2 GLY 7 2HA GLY 7 5.314 -4.245 5.831
36 HA3 GLY 7 3HA GLY 7 4.946 -3.855 7.502
37 H GLU 8 H GLU 8 2.443 -2.559 5.917
38 HA GLU 8 HA GLU 8 0.729 -4.875 6.397
39 HB2 GLU 8 2HB GLU 8 0.344 -2.422 7.240
40 HB3 GLU 8 3HB GLU 8 -0.276 -2.154 5.618
41 HG2 GLU 8 2HG GLU 8 -1.949 -3.881 5.947
42 HG3 GLU 8 3HG GLU 8 -1.307 -4.216 7.554
43 H SER 9 H SER 9 -0.938 -5.458 4.863
44 HA SER 9 HA SER 9 0.013 -5.259 2.105
45 HB2 SER 9 2HB SER 9 -2.030 -7.117 3.348
46 HB3 SER 9 3HB SER 9 -1.493 -7.173 1.670
47 HG SER 9 HG SER 9 0.670 -7.192 3.180
48 H CYS 10 H CYS 10 -0.840 -3.776 0.839
49 HA CYS 10 HA CYS 10 -3.677 -3.055 1.191
50 HB2 CYS 10 2HB CYS 10 -3.234 -0.814 0.809
51 HB3 CYS 10 3HB CYS 10 -1.793 -1.302 1.688
52 H ASN 11 H ASN 11 -4.861 -2.529 -0.718
53 HA ASN 11 HA ASN 11 -3.922 -3.972 -3.087
54 HB2 ASN 11 2HB ASN 11 -6.720 -3.007 -2.498
55 HB3 ASN 11 3HB ASN 11 -6.232 -4.112 -3.774
56 HD21 ASN 11 1HD2 ASN 11 -6.454 -3.730 -0.290
57 HD22 ASN 11 2HD2 ASN 11 -6.616 -5.413 0.073
58 H VAL 12 H VAL 12 -3.712 -2.986 -5.051
59 HA VAL 12 HA VAL 12 -3.744 -0.069 -4.980
60 HB VAL 12 HB VAL 12 -2.465 -0.119 -7.071
61 HG11 VAL 12 1HG1 VAL 12 -1.367 -1.916 -4.913
62 HG12 VAL 12 2HG1 VAL 12 -1.221 -0.160 -5.007
63 HG13 VAL 12 3HG1 VAL 12 -0.406 -1.179 -6.197
64 HG21 VAL 12 3HG2 VAL 12 -2.361 -3.119 -6.879
65 HG22 VAL 12 1HG2 VAL 12 -1.796 -2.085 -8.192
66 HG23 VAL 12 2HG2 VAL 12 -3.528 -2.276 -7.899
67 H GLU 13 H GLU 13 -6.171 -1.836 -5.241
68 HA GLU 13 HA GLU 13 -7.211 -0.855 -7.815
69 HB2 GLU 13 2HB GLU 13 -8.103 -3.200 -6.130
70 HB3 GLU 13 3HB GLU 13 -8.863 -2.694 -7.628
71 HG2 GLU 13 2HG GLU 13 -5.964 -3.458 -7.550
72 HG3 GLU 13 3HG GLU 13 -7.231 -4.680 -7.651
73 H PHE 14 H PHE 14 -7.725 -0.964 -4.346
74 HA PHE 14 HA PHE 14 -9.805 1.064 -4.556
75 HB2 PHE 14 2HB PHE 14 -11.216 -0.315 -2.854
76 HB3 PHE 14 3HB PHE 14 -11.286 -0.742 -4.558
77 HD1 PHE 14 HD2 PHE 14 -10.228 -2.763 -5.388
78 HD2 PHE 14 HD1 PHE 14 -10.197 -1.789 -1.252
79 HE1 PHE 14 HE2 PHE 14 -9.503 -5.051 -4.861
80 HE2 PHE 14 HE1 PHE 14 -9.463 -4.073 -0.713
81 HZ PHE 14 HZ PHE 14 -9.104 -5.694 -2.524
82 H TYR 15 H TYR 15 -7.912 -0.984 -2.332
83 HA TYR 15 HA TYR 15 -7.809 1.279 -0.444
84 HB2 TYR 15 2HB TYR 15 -8.948 -0.924 0.278
85 HB3 TYR 15 3HB TYR 15 -7.324 -1.586 0.339
86 HD1 TYR 15 HD1 TYR 15 -5.675 -0.661 2.000
87 HD2 TYR 15 HD2 TYR 15 -9.772 0.507 1.992
88 HE1 TYR 15 HE1 TYR 15 -5.426 0.210 4.282
89 HE2 TYR 15 HE2 TYR 15 -9.528 1.385 4.274
90 HH TYR 15 HH TYR 15 -8.072 1.060 6.227
91 HA PRO 16 HA PRO 16 -3.430 0.581 -1.983
92 HB2 PRO 16 2HB PRO 16 -2.851 3.193 -2.488
93 HB3 PRO 16 3HB PRO 16 -3.687 2.161 -3.665
94 HG2 PRO 16 2HG PRO 16 -4.829 4.177 -1.785
95 HG3 PRO 16 3HG PRO 16 -5.216 3.881 -3.493
96 HD2 PRO 16 2HD PRO 16 -6.749 2.942 -1.464
97 HD3 PRO 16 3HD PRO 16 -6.581 2.101 -3.015
98 H CYS 17 H CYS 17 -1.413 2.155 -1.263
99 HA CYS 17 HA CYS 17 -1.260 1.909 1.565
100 HB2 CYS 17 2HB CYS 17 0.589 3.171 -0.466
101 HB3 CYS 17 3HB CYS 17 0.968 3.063 1.245
102 H CYS 18 H CYS 18 -0.080 4.012 2.696
103 HA CYS 18 HA CYS 18 -2.166 6.007 2.784
104 HB2 CYS 18 2HB CYS 18 0.219 5.372 4.476
105 HB3 CYS 18 3HB CYS 18 -0.547 6.951 4.616
106 HA PRO 19 HA PRO 19 0.194 8.676 0.013
107 HB2 PRO 19 2HB PRO 19 -1.715 10.564 -0.350
108 HB3 PRO 19 3HB PRO 19 -1.786 8.976 -1.136
109 HG2 PRO 19 2HG PRO 19 -3.295 9.985 1.210
110 HG3 PRO 19 3HG PRO 19 -3.810 8.886 -0.083
111 HD2 PRO 19 2HD PRO 19 -3.025 8.096 2.455
112 HD3 PRO 19 3HD PRO 19 -3.062 7.050 1.024
113 H GLY 20 H GLY 20 1.142 10.767 0.047
114 HA2 GLY 20 2HA GLY 20 1.657 12.868 0.989
115 HA3 GLY 20 3HA GLY 20 0.736 12.430 2.419
116 H LEU 21 H LEU 21 2.064 9.838 2.724
117 HA LEU 21 HA LEU 21 4.401 10.747 4.163
118 HB2 LEU 21 2HB LEU 21 3.378 7.923 3.905
119 HB3 LEU 21 3HB LEU 21 4.453 8.546 5.132
120 HG LEU 21 HG LEU 21 1.588 9.455 4.856
121 HD11 LEU 21 1HD1 LEU 21 1.017 7.901 6.618
122 HD12 LEU 21 2HD1 LEU 21 2.675 7.302 6.661
123 HD13 LEU 21 3HD1 LEU 21 1.677 7.032 5.233
124 HD21 LEU 21 3HD2 LEU 21 3.562 9.621 7.139
125 HD22 LEU 21 1HD2 LEU 21 1.882 10.157 7.191
126 HD23 LEU 21 2HD2 LEU 21 3.031 10.962 6.122
127 H GLY 22 H GLY 22 3.832 8.086 1.827
128 HA2 GLY 22 2HA GLY 22 5.358 8.291 -0.209
129 HA3 GLY 22 3HA GLY 22 6.645 8.337 0.982
130 H LEU 23 H LEU 23 3.763 6.284 1.146
131 HA LEU 23 HA LEU 23 5.486 3.935 1.291
132 HB2 LEU 23 2HB LEU 23 2.571 4.436 1.861
133 HB3 LEU 23 3HB LEU 23 3.163 2.804 1.667
134 HG LEU 23 HG LEU 23 2.930 3.394 4.018
135 HD11 LEU 23 1HD1 LEU 23 5.870 3.215 3.463
136 HD12 LEU 23 2HD1 LEU 23 4.769 1.862 3.211
137 HD13 LEU 23 3HD1 LEU 23 4.960 2.556 4.820
138 HD21 LEU 23 3HD2 LEU 23 3.232 5.714 4.102
139 HD22 LEU 23 1HD2 LEU 23 4.830 5.620 3.361
140 HD23 LEU 23 2HD2 LEU 23 4.583 5.029 5.004
141 H THR 24 H THR 24 5.083 2.026 0.074
142 HA THR 24 HA THR 24 3.530 2.272 -2.387
143 HB THR 24 HB THR 24 5.735 3.003 -3.102
144 HG1 THR 24 HG1 THR 24 5.058 1.869 -4.768
145 HG21 THR 24 3HG2 THR 24 7.202 2.094 -1.437
146 HG22 THR 24 1HG2 THR 24 7.692 1.427 -2.996
147 HG23 THR 24 2HG2 THR 24 6.759 0.442 -1.866
148 H CYS 25 H CYS 25 2.435 0.444 -2.830
149 HA CYS 25 HA CYS 25 2.832 -1.868 -1.122
150 HB2 CYS 25 2HB CYS 25 0.645 -0.732 -2.605
151 HB3 CYS 25 3HB CYS 25 0.839 -2.426 -3.035
152 H ILE 26 H ILE 26 3.973 -3.596 -1.636
153 HA ILE 26 HA ILE 26 4.562 -4.129 -4.472
154 HB ILE 26 HB ILE 26 6.457 -4.609 -2.163
155 HG12 ILE 26 2HG1 ILE 26 6.192 -2.196 -2.542
156 HG13 ILE 26 3HG1 ILE 26 7.797 -2.730 -3.000
157 HG21 ILE 26 1HG2 ILE 26 7.082 -4.743 -5.106
158 HG22 ILE 26 2HG2 ILE 26 6.679 -6.147 -4.118
159 HG23 ILE 26 3HG2 ILE 26 8.123 -5.199 -3.754
160 HD11 ILE 26 3HD1 ILE 26 6.978 -1.099 -4.581
161 HD12 ILE 26 1HD1 ILE 26 5.523 -2.055 -4.869
162 HD13 ILE 26 2HD1 ILE 26 7.096 -2.669 -5.376
163 HA PRO 27 HA PRO 27 4.616 -5.532 -5.986
164 HB2 PRO 27 2HB PRO 27 2.786 -6.978 -7.349
165 HB3 PRO 27 3HB PRO 27 4.368 -7.627 -6.886
166 HG2 PRO 27 2HG PRO 27 1.714 -8.055 -5.603
167 HG3 PRO 27 3HG PRO 27 3.012 -9.223 -5.923
168 HD2 PRO 27 2HD PRO 27 2.603 -8.094 -3.482
169 HD3 PRO 27 3HD PRO 27 4.196 -8.621 -4.055
170 H GLY 28 H GLY 28 1.476 -5.975 -4.441
171 HA2 GLY 28 2HA GLY 28 -0.023 -4.170 -4.059
172 HA3 GLY 28 3HA GLY 28 0.623 -3.363 -5.478
173 H ASN 29 H ASN 29 0.379 -5.987 -7.007
174 HA ASN 29 HA ASN 29 -2.534 -5.827 -7.467
175 HB2 ASN 29 2HB ASN 29 -0.275 -6.361 -9.408
176 HB3 ASN 29 3HB ASN 29 -1.969 -6.622 -9.810
177 HD21 ASN 29 1HD2 ASN 29 -3.334 -4.852 -10.042
178 HD22 ASN 29 2HD2 ASN 29 -2.728 -3.249 -10.256
179 HA PRO 30 HA PRO 30 -4.401 -6.856 -7.250
180 HB2 PRO 30 2HB PRO 30 -5.691 -8.181 -5.248
181 HB3 PRO 30 3HB PRO 30 -5.755 -8.695 -6.945
182 HG2 PRO 30 2HG PRO 30 -4.091 -9.762 -4.716
183 HG3 PRO 30 3HG PRO 30 -4.960 -10.634 -5.994
184 HD2 PRO 30 2HD PRO 30 -2.294 -10.193 -6.095
185 HD3 PRO 30 3HD PRO 30 -3.307 -10.282 -7.548
186 H ASP 31 H ASP 31 -2.298 -7.878 -4.642
187 HA ASP 31 HA ASP 31 -2.396 -5.246 -3.447
188 HB2 ASP 31 2HB ASP 31 -2.780 -6.167 -1.126
189 HB3 ASP 31 3HB ASP 31 -4.195 -6.179 -2.171
190 H GLY 32 H GLY 32 -0.646 -4.799 -2.061
191 HA2 GLY 32 2HA GLY 32 1.447 -6.854 -1.876
192 HA3 GLY 32 3HA GLY 32 1.830 -5.314 -2.628
193 H THR 33 H THR 33 3.484 -5.400 -0.848
194 HA THR 33 HA THR 33 2.422 -4.620 1.763
195 HB THR 33 HB THR 33 5.041 -4.674 2.238
196 HG1 THR 33 HG1 THR 33 5.442 -5.237 -0.028
197 HG21 THR 33 3HG2 THR 33 3.297 -7.126 2.030
198 HG22 THR 33 1HG2 THR 33 3.368 -6.013 3.396
199 HG23 THR 33 2HG2 THR 33 4.774 -6.996 2.985
200 H CYS 34 H CYS 34 2.622 -2.673 2.617
201 HA CYS 34 HA CYS 34 3.432 -0.495 0.911
202 HB2 CYS 34 2HB CYS 34 2.237 -0.626 3.678
203 HB3 CYS 34 3HB CYS 34 2.699 0.894 2.922
204 H TYR 35 H TYR 35 5.482 -0.093 0.680
205 HA TYR 35 HA TYR 35 7.264 -0.093 3.024
206 HB2 TYR 35 2HB TYR 35 7.786 -0.655 0.112
207 HB3 TYR 35 3HB TYR 35 9.092 -0.192 1.197
208 HD1 TYR 35 HD2 TYR 35 9.412 -1.625 3.316
209 HD2 TYR 35 HD1 TYR 35 7.136 -2.898 -0.052
210 HE1 TYR 35 HE2 TYR 35 9.640 -3.951 4.050
211 HE2 TYR 35 HE1 TYR 35 7.357 -5.231 0.680
212 HH TYR 35 HH TYR 35 8.866 -6.594 2.066
213 H TYR 36 H TYR 36 8.681 1.628 3.339
214 HA TYR 36 HA TYR 36 7.704 4.172 2.392
215 HB2 TYR 36 2HB TYR 36 9.483 3.236 4.520
216 HB3 TYR 36 3HB TYR 36 10.032 4.727 3.763
217 HD1 TYR 36 HD1 TYR 36 8.279 6.639 3.563
218 HD2 TYR 36 HD2 TYR 36 7.857 3.314 6.187
219 HE1 TYR 36 HE1 TYR 36 6.687 7.922 4.924
220 HE2 TYR 36 HE2 TYR 36 6.259 4.588 7.551
221 HH TYR 36 HH TYR 36 5.692 6.935 8.013
222 H LEU 37 H LEU 37 8.459 5.384 0.803
223 HA LEU 37 HA LEU 37 10.585 4.394 -0.872
224 HB2 LEU 37 2HB LEU 37 8.763 6.785 -1.120
225 HB3 LEU 37 3HB LEU 37 9.983 6.373 -2.307
226 HG LEU 37 HG LEU 37 7.928 4.322 -1.592
227 HD11 LEU 37 1HD1 LEU 37 7.472 6.643 -3.463
228 HD12 LEU 37 2HD1 LEU 37 6.615 6.331 -1.953
229 HD13 LEU 37 3HD1 LEU 37 6.433 5.226 -3.315
230 HD21 LEU 37 3HD2 LEU 37 8.240 3.694 -3.937
231 HD22 LEU 37 1HD2 LEU 37 9.776 3.718 -3.072
232 HD23 LEU 37 2HD2 LEU 37 9.353 5.043 -4.155
Start of MODEL 10
1 H1 PCA 1 H1 PCA 1 -10.414 7.068 3.869
2 HA PCA 1 HA PCA 1 -10.476 4.692 3.784
3 HB2 PCA 1 3HB PCA 1 -12.660 4.452 2.817
4 HB3 PCA 1 2HB PCA 1 -11.745 4.110 1.298
5 HG2 PCA 1 3HG PCA 1 -13.792 5.757 2.701
6 HG3 PCA 1 2HG PCA 1 -13.124 6.161 1.099
7 H GLY 2 H GLY 2 -8.800 3.494 3.016
8 HA2 GLY 2 2HA GLY 2 -7.421 2.638 1.254
9 HA3 GLY 2 3HA GLY 2 -7.613 4.165 0.407
10 H CYS 3 H CYS 3 -6.549 3.181 3.661
11 HA CYS 3 HA CYS 3 -3.977 4.513 3.197
12 HB2 CYS 3 2HB CYS 3 -5.812 5.875 4.559
13 HB3 CYS 3 3HB CYS 3 -5.255 4.853 5.877
14 H ALA 4 H ALA 4 -2.504 2.984 3.439
15 HA ALA 4 HA ALA 4 -2.832 1.015 5.606
16 HB1 ALA 4 3HB ALA 4 -1.090 0.426 3.264
17 HB2 ALA 4 1HB ALA 4 -2.840 0.302 3.078
18 HB3 ALA 4 2HB ALA 4 -2.010 -0.672 4.291
19 H PHE 5 H PHE 5 -0.997 0.440 6.813
20 HA PHE 5 HA PHE 5 1.079 2.496 6.906
21 HB2 PHE 5 2HB PHE 5 0.257 0.312 8.829
22 HB3 PHE 5 3HB PHE 5 1.683 1.313 9.081
23 HD1 PHE 5 HD2 PHE 5 -1.970 1.226 9.062
24 HD2 PHE 5 HD1 PHE 5 1.475 3.648 9.678
25 HE1 PHE 5 HE2 PHE 5 -3.369 2.933 10.151
26 HE2 PHE 5 HE1 PHE 5 0.083 5.358 10.768
27 HZ PHE 5 HZ PHE 5 -2.343 5.002 11.005
28 H GLU 6 H GLU 6 3.346 1.590 7.622
29 HA GLU 6 HA GLU 6 4.381 0.071 5.467
30 HB2 GLU 6 2HB GLU 6 5.584 1.820 6.897
31 HB3 GLU 6 3HB GLU 6 5.821 0.540 8.075
32 HG2 GLU 6 2HG GLU 6 6.970 -0.771 6.269
33 HG3 GLU 6 3HG GLU 6 6.888 0.675 5.264
34 H GLY 7 H GLY 7 4.943 -2.005 5.263
35 HA2 GLY 7 2HA GLY 7 5.322 -4.236 5.838
36 HA3 GLY 7 3HA GLY 7 4.958 -3.842 7.510
37 H GLU 8 H GLU 8 2.460 -2.538 5.924
38 HA GLU 8 HA GLU 8 0.733 -4.842 6.413
39 HB2 GLU 8 2HB GLU 8 0.365 -2.372 7.231
40 HB3 GLU 8 3HB GLU 8 -0.266 -2.128 5.609
41 HG2 GLU 8 2HG GLU 8 -1.938 -3.849 5.976
42 HG3 GLU 8 3HG GLU 8 -1.285 -4.162 7.583
43 H SER 9 H SER 9 -0.930 -5.432 4.879
44 HA SER 9 HA SER 9 0.023 -5.244 2.120
45 HB2 SER 9 2HB SER 9 -0.399 -7.491 3.158
46 HB3 SER 9 3HB SER 9 -2.110 -7.075 3.246
47 HG SER 9 HG SER 9 -1.047 -8.249 1.280
48 H CYS 10 H CYS 10 -0.844 -3.783 0.836
49 HA CYS 10 HA CYS 10 -3.679 -3.060 1.196
50 HB2 CYS 10 2HB CYS 10 -3.243 -0.819 0.807
51 HB3 CYS 10 3HB CYS 10 -1.802 -1.301 1.691
52 H ASN 11 H ASN 11 -4.862 -2.531 -0.713
53 HA ASN 11 HA ASN 11 -3.925 -3.976 -3.082
54 HB2 ASN 11 2HB ASN 11 -6.723 -3.008 -2.495
55 HB3 ASN 11 3HB ASN 11 -6.235 -4.117 -3.767
56 HD21 ASN 11 1HD2 ASN 11 -6.459 -3.723 -0.285
57 HD22 ASN 11 2HD2 ASN 11 -6.623 -5.405 0.084
58 H VAL 12 H VAL 12 -3.718 -2.987 -5.048
59 HA VAL 12 HA VAL 12 -3.750 -0.071 -4.973
60 HB VAL 12 HB VAL 12 -2.473 -0.116 -7.064
61 HG11 VAL 12 1HG1 VAL 12 -1.365 -1.922 -4.921
62 HG12 VAL 12 2HG1 VAL 12 -1.239 -0.164 -4.989
63 HG13 VAL 12 3HG1 VAL 12 -0.412 -1.155 -6.192
64 HG21 VAL 12 3HG2 VAL 12 -3.532 -2.273 -7.894
65 HG22 VAL 12 1HG2 VAL 12 -2.365 -3.117 -6.877
66 HG23 VAL 12 2HG2 VAL 12 -1.801 -2.079 -8.188
67 H GLU 13 H GLU 13 -6.177 -1.841 -5.237
68 HA GLU 13 HA GLU 13 -7.217 -0.857 -7.811
69 HB2 GLU 13 2HB GLU 13 -8.104 -3.204 -6.129
70 HB3 GLU 13 3HB GLU 13 -8.871 -2.695 -7.622
71 HG2 GLU 13 2HG GLU 13 -5.971 -3.455 -7.559
72 HG3 GLU 13 3HG GLU 13 -7.236 -4.681 -7.655
73 H PHE 14 H PHE 14 -7.735 -0.975 -4.343
74 HA PHE 14 HA PHE 14 -9.816 1.052 -4.551
75 HB2 PHE 14 2HB PHE 14 -11.225 -0.331 -2.850
76 HB3 PHE 14 3HB PHE 14 -11.294 -0.757 -4.556
77 HD1 PHE 14 HD1 PHE 14 -10.230 -2.774 -5.388
78 HD2 PHE 14 HD2 PHE 14 -10.206 -1.806 -1.250
79 HE1 PHE 14 HE1 PHE 14 -9.497 -5.061 -4.863
80 HE2 PHE 14 HE2 PHE 14 -9.474 -4.091 -0.714
81 HZ PHE 14 HZ PHE 14 -9.103 -5.708 -2.528
82 H TYR 15 H TYR 15 -7.918 -0.994 -2.330
83 HA TYR 15 HA TYR 15 -7.826 1.266 -0.438
84 HB2 TYR 15 2HB TYR 15 -8.953 -0.943 0.281
85 HB3 TYR 15 3HB TYR 15 -7.326 -1.598 0.338
86 HD1 TYR 15 HD1 TYR 15 -5.672 -0.647 1.992
87 HD2 TYR 15 HD2 TYR 15 -9.787 0.457 2.007
88 HE1 TYR 15 HE1 TYR 15 -5.425 0.221 4.275
89 HE2 TYR 15 HE2 TYR 15 -9.545 1.331 4.293
90 HH TYR 15 HH TYR 15 -8.074 1.024 6.236
91 HA PRO 16 HA PRO 16 -3.442 0.592 -1.978
92 HB2 PRO 16 2HB PRO 16 -2.873 3.208 -2.472
93 HB3 PRO 16 3HB PRO 16 -3.705 2.179 -3.654
94 HG2 PRO 16 2HG PRO 16 -4.856 4.181 -1.764
95 HG3 PRO 16 3HG PRO 16 -5.241 3.892 -3.474
96 HD2 PRO 16 2HD PRO 16 -6.772 2.936 -1.452
97 HD3 PRO 16 3HD PRO 16 -6.597 2.103 -3.006
98 H CYS 17 H CYS 17 -1.428 2.160 -1.252
99 HA CYS 17 HA CYS 17 -1.276 1.911 1.577
100 HB2 CYS 17 2HB CYS 17 0.573 3.184 -0.448
101 HB3 CYS 17 3HB CYS 17 0.952 3.063 1.263
102 H CYS 18 H CYS 18 -0.093 4.013 2.709
103 HA CYS 18 HA CYS 18 -2.181 6.011 2.796
104 HB2 CYS 18 2HB CYS 18 0.188 5.360 4.505
105 HB3 CYS 18 3HB CYS 18 -0.573 6.942 4.644
106 HA PRO 19 HA PRO 19 0.206 8.691 0.060
107 HB2 PRO 19 2HB PRO 19 -1.687 10.599 -0.284
108 HB3 PRO 19 3HB PRO 19 -1.768 9.021 -1.090
109 HG2 PRO 19 2HG PRO 19 -3.278 10.016 1.263
110 HG3 PRO 19 3HG PRO 19 -3.795 8.930 -0.041
111 HD2 PRO 19 2HD PRO 19 -3.020 8.118 2.496
112 HD3 PRO 19 3HD PRO 19 -3.064 7.081 1.056
113 H GLY 20 H GLY 20 1.128 10.810 0.095
114 HA2 GLY 20 2HA GLY 20 1.665 12.888 1.063
115 HA3 GLY 20 3HA GLY 20 0.750 12.437 2.492
116 H LEU 21 H LEU 21 2.076 9.837 2.754
117 HA LEU 21 HA LEU 21 4.423 10.724 4.193
118 HB2 LEU 21 2HB LEU 21 3.383 7.907 3.919
119 HB3 LEU 21 3HB LEU 21 4.464 8.516 5.147
120 HG LEU 21 HG LEU 21 1.608 9.457 4.887
121 HD11 LEU 21 1HD1 LEU 21 1.660 7.028 5.222
122 HD12 LEU 21 2HD1 LEU 21 1.017 7.882 6.625
123 HD13 LEU 21 3HD1 LEU 21 2.666 7.256 6.652
124 HD21 LEU 21 3HD2 LEU 21 3.083 10.917 6.178
125 HD22 LEU 21 1HD2 LEU 21 3.577 9.550 7.178
126 HD23 LEU 21 2HD2 LEU 21 1.910 10.123 7.227
127 H GLY 22 H GLY 22 3.820 8.090 1.836
128 HA2 GLY 22 2HA GLY 22 5.326 8.291 -0.208
129 HA3 GLY 22 3HA GLY 22 6.628 8.341 0.967
130 H LEU 23 H LEU 23 3.751 6.280 1.152
131 HA LEU 23 HA LEU 23 5.480 3.934 1.291
132 HB2 LEU 23 2HB LEU 23 2.566 4.432 1.866
133 HB3 LEU 23 3HB LEU 23 3.156 2.801 1.667
134 HG LEU 23 HG LEU 23 2.928 3.385 4.020
135 HD11 LEU 23 1HD1 LEU 23 4.960 2.545 4.818
136 HD12 LEU 23 2HD1 LEU 23 5.867 3.207 3.461
137 HD13 LEU 23 3HD1 LEU 23 4.767 1.855 3.206
138 HD21 LEU 23 3HD2 LEU 23 4.817 5.617 3.359
139 HD22 LEU 23 1HD2 LEU 23 4.593 5.017 5.002
140 HD23 LEU 23 2HD2 LEU 23 3.228 5.700 4.121
141 H THR 24 H THR 24 5.076 2.022 0.075
142 HA THR 24 HA THR 24 3.523 2.269 -2.385
143 HB THR 24 HB THR 24 5.727 3.000 -3.102
144 HG1 THR 24 HG1 THR 24 4.559 1.593 -4.513
145 HG21 THR 24 3HG2 THR 24 7.686 1.432 -2.996
146 HG22 THR 24 1HG2 THR 24 6.755 0.436 -1.875
147 HG23 THR 24 2HG2 THR 24 7.193 2.087 -1.435
148 H CYS 25 H CYS 25 2.426 0.441 -2.826
149 HA CYS 25 HA CYS 25 2.825 -1.871 -1.121
150 HB2 CYS 25 2HB CYS 25 0.637 -0.735 -2.603
151 HB3 CYS 25 3HB CYS 25 0.832 -2.429 -3.032
152 H ILE 26 H ILE 26 3.966 -3.600 -1.637
153 HA ILE 26 HA ILE 26 4.552 -4.132 -4.473
154 HB ILE 26 HB ILE 26 6.448 -4.615 -2.164
155 HG12 ILE 26 2HG1 ILE 26 6.186 -2.201 -2.545
156 HG13 ILE 26 3HG1 ILE 26 7.790 -2.737 -3.002
157 HG21 ILE 26 1HG2 ILE 26 8.115 -5.199 -3.763
158 HG22 ILE 26 2HG2 ILE 26 7.065 -4.754 -5.110
159 HG23 ILE 26 3HG2 ILE 26 6.673 -6.155 -4.114
160 HD11 ILE 26 3HD1 ILE 26 5.518 -2.061 -4.872
161 HD12 ILE 26 1HD1 ILE 26 7.092 -2.677 -5.378
162 HD13 ILE 26 2HD1 ILE 26 6.974 -1.106 -4.585
163 HA PRO 27 HA PRO 27 4.603 -5.534 -5.987
164 HB2 PRO 27 2HB PRO 27 2.773 -6.980 -7.351
165 HB3 PRO 27 3HB PRO 27 4.355 -7.629 -6.886
166 HG2 PRO 27 2HG PRO 27 1.701 -8.055 -5.605
167 HG3 PRO 27 3HG PRO 27 2.998 -9.225 -5.925
168 HD2 PRO 27 2HD PRO 27 2.589 -8.095 -3.483
169 HD3 PRO 27 3HD PRO 27 4.182 -8.624 -4.056
170 H GLY 28 H GLY 28 1.466 -5.974 -4.438
171 HA2 GLY 28 2HA GLY 28 -0.034 -4.172 -4.055
172 HA3 GLY 28 3HA GLY 28 0.611 -3.362 -5.473
173 H ASN 29 H ASN 29 0.368 -5.984 -7.005
174 HA ASN 29 HA ASN 29 -2.544 -5.825 -7.466
175 HB2 ASN 29 2HB ASN 29 -0.284 -6.355 -9.405
176 HB3 ASN 29 3HB ASN 29 -1.976 -6.622 -9.807
177 HD21 ASN 29 1HD2 ASN 29 -3.348 -4.857 -10.039
178 HD22 ASN 29 2HD2 ASN 29 -2.747 -3.251 -10.253
179 HA PRO 30 HA PRO 30 -4.409 -6.857 -7.245
180 HB2 PRO 30 2HB PRO 30 -5.696 -8.184 -5.243
181 HB3 PRO 30 3HB PRO 30 -5.761 -8.697 -6.940
182 HG2 PRO 30 2HG PRO 30 -4.094 -9.765 -4.715
183 HG3 PRO 30 3HG PRO 30 -4.965 -10.636 -5.993
184 HD2 PRO 30 2HD PRO 30 -2.300 -10.195 -6.097
185 HD3 PRO 30 3HD PRO 30 -3.314 -10.282 -7.548
186 H ASP 31 H ASP 31 -2.304 -7.881 -4.640
187 HA ASP 31 HA ASP 31 -2.401 -5.249 -3.443
188 HB2 ASP 31 2HB ASP 31 -2.786 -6.173 -1.123
189 HB3 ASP 31 3HB ASP 31 -4.201 -6.183 -2.166
190 H GLY 32 H GLY 32 -0.652 -4.804 -2.055
191 HA2 GLY 32 2HA GLY 32 1.440 -6.861 -1.868
192 HA3 GLY 32 3HA GLY 32 1.825 -5.323 -2.623
193 H THR 33 H THR 33 3.479 -5.406 -0.845
194 HA THR 33 HA THR 33 2.419 -4.622 1.766
195 HB THR 33 HB THR 33 5.038 -4.673 2.239
196 HG1 THR 33 HG1 THR 33 5.101 -5.414 -0.189
197 HG21 THR 33 3HG2 THR 33 3.296 -7.127 2.036
198 HG22 THR 33 1HG2 THR 33 3.367 -6.012 3.401
199 HG23 THR 33 2HG2 THR 33 4.773 -6.994 2.989
200 H CYS 34 H CYS 34 2.618 -2.672 2.614
201 HA CYS 34 HA CYS 34 3.425 -0.496 0.906
202 HB2 CYS 34 2HB CYS 34 2.232 -0.625 3.673
203 HB3 CYS 34 3HB CYS 34 2.691 0.895 2.915
204 H TYR 35 H TYR 35 5.476 -0.095 0.673
205 HA TYR 35 HA TYR 35 7.257 -0.088 3.017
206 HB2 TYR 35 2HB TYR 35 7.780 -0.658 0.108
207 HB3 TYR 35 3HB TYR 35 9.085 -0.194 1.194
208 HD1 TYR 35 HD1 TYR 35 9.397 -1.621 3.320
209 HD2 TYR 35 HD2 TYR 35 7.136 -2.901 -0.057
210 HE1 TYR 35 HE1 TYR 35 9.624 -3.946 4.058
211 HE2 TYR 35 HE2 TYR 35 7.355 -5.232 0.681
212 HH TYR 35 HH TYR 35 8.854 -6.593 2.075
213 H TYR 36 H TYR 36 8.670 1.633 3.333
214 HA TYR 36 HA TYR 36 7.695 4.176 2.378
215 HB2 TYR 36 2HB TYR 36 9.465 3.242 4.511
216 HB3 TYR 36 3HB TYR 36 10.032 4.722 3.746
217 HD1 TYR 36 HD1 TYR 36 8.297 6.651 3.529
218 HD2 TYR 36 HD2 TYR 36 7.837 3.349 6.175
219 HE1 TYR 36 HE1 TYR 36 6.715 7.959 4.878
220 HE2 TYR 36 HE2 TYR 36 6.248 4.648 7.527
221 HH TYR 36 HH TYR 36 5.705 7.005 7.971
222 H LEU 37 H LEU 37 8.450 5.385 0.787
223 HA LEU 37 HA LEU 37 10.573 4.389 -0.888
224 HB2 LEU 37 2HB LEU 37 8.751 6.779 -1.139
225 HB3 LEU 37 3HB LEU 37 9.974 6.369 -2.325
226 HG LEU 37 HG LEU 37 7.916 4.319 -1.610
227 HD11 LEU 37 1HD1 LEU 37 7.473 6.634 -3.489
228 HD12 LEU 37 2HD1 LEU 37 6.606 6.325 -1.983
229 HD13 LEU 37 3HD1 LEU 37 6.431 5.218 -3.346
230 HD21 LEU 37 3HD2 LEU 37 8.238 3.678 -3.950
231 HD22 LEU 37 1HD2 LEU 37 9.771 3.705 -3.078
232 HD23 LEU 37 2HD2 LEU 37 9.353 5.026 -4.169
Start of MODEL 11
1 H1 PCA 1 H1 PCA 1 -10.266 7.008 4.196
2 HA PCA 1 HA PCA 1 -10.428 4.651 3.905
3 HB2 PCA 1 3HB PCA 1 -12.617 4.588 2.923
4 HB3 PCA 1 2HB PCA 1 -11.712 4.341 1.380
5 HG2 PCA 1 3HG PCA 1 -13.694 5.945 2.922
6 HG3 PCA 1 2HG PCA 1 -13.003 6.457 1.361
7 H GLY 2 H GLY 2 -8.800 3.457 3.039
8 HA2 GLY 2 2HA GLY 2 -7.409 2.689 1.267
9 HA3 GLY 2 3HA GLY 2 -7.612 4.239 0.468
10 H CYS 3 H CYS 3 -6.529 3.207 3.702
11 HA CYS 3 HA CYS 3 -3.948 4.519 3.236
12 HB2 CYS 3 2HB CYS 3 -5.773 5.892 4.606
13 HB3 CYS 3 3HB CYS 3 -5.214 4.867 5.921
14 H ALA 4 H ALA 4 -2.495 2.967 3.466
15 HA ALA 4 HA ALA 4 -2.845 0.988 5.622
16 HB1 ALA 4 3HB ALA 4 -2.844 0.286 3.101
17 HB2 ALA 4 1HB ALA 4 -1.986 -0.683 4.300
18 HB3 ALA 4 2HB ALA 4 -1.095 0.437 3.273
19 H PHE 5 H PHE 5 -1.028 0.390 6.839
20 HA PHE 5 HA PHE 5 1.054 2.436 6.991
21 HB2 PHE 5 2HB PHE 5 -0.376 1.439 8.970
22 HB3 PHE 5 3HB PHE 5 0.819 0.149 8.921
23 HD1 PHE 5 HD1 PHE 5 0.313 3.750 9.514
24 HD2 PHE 5 HD2 PHE 5 3.022 0.476 9.753
25 HE1 PHE 5 HE1 PHE 5 1.823 5.106 10.903
26 HE2 PHE 5 HE2 PHE 5 4.538 1.827 11.141
27 HZ PHE 5 HZ PHE 5 3.939 4.145 11.719
28 H GLU 6 H GLU 6 3.324 1.596 7.596
29 HA GLU 6 HA GLU 6 4.352 0.056 5.469
30 HB2 GLU 6 2HB GLU 6 5.559 1.804 6.892
31 HB3 GLU 6 3HB GLU 6 5.796 0.530 8.074
32 HG2 GLU 6 2HG GLU 6 6.941 -0.787 6.262
33 HG3 GLU 6 3HG GLU 6 6.867 0.664 5.265
34 H GLY 7 H GLY 7 4.926 -2.018 5.256
35 HA2 GLY 7 2HA GLY 7 5.318 -4.248 5.825
36 HA3 GLY 7 3HA GLY 7 4.953 -3.860 7.499
37 H GLU 8 H GLU 8 2.447 -2.564 5.918
38 HA GLU 8 HA GLU 8 0.733 -4.880 6.400
39 HB2 GLU 8 2HB GLU 8 0.350 -2.427 7.244
40 HB3 GLU 8 3HB GLU 8 -0.272 -2.157 5.623
41 HG2 GLU 8 2HG GLU 8 -1.947 -3.880 5.952
42 HG3 GLU 8 3HG GLU 8 -1.302 -4.224 7.556
43 H SER 9 H SER 9 -0.936 -5.461 4.866
44 HA SER 9 HA SER 9 0.013 -5.260 2.108
45 HB2 SER 9 2HB SER 9 -2.028 -7.119 3.353
46 HB3 SER 9 3HB SER 9 -1.495 -7.173 1.672
47 HG SER 9 HG SER 9 -0.108 -7.857 4.010
48 H CYS 10 H CYS 10 -0.844 -3.780 0.840
49 HA CYS 10 HA CYS 10 -3.680 -3.060 1.195
50 HB2 CYS 10 2HB CYS 10 -3.240 -0.818 0.813
51 HB3 CYS 10 3HB CYS 10 -1.797 -1.305 1.693
52 H ASN 11 H ASN 11 -4.864 -2.532 -0.713
53 HA ASN 11 HA ASN 11 -3.926 -3.972 -3.084
54 HB2 ASN 11 2HB ASN 11 -6.724 -3.008 -2.495
55 HB3 ASN 11 3HB ASN 11 -6.235 -4.115 -3.769
56 HD21 ASN 11 1HD2 ASN 11 -6.460 -3.728 -0.286
57 HD22 ASN 11 2HD2 ASN 11 -6.621 -5.410 0.079
58 H VAL 12 H VAL 12 -3.718 -2.983 -5.047
59 HA VAL 12 HA VAL 12 -3.751 -0.067 -4.974
60 HB VAL 12 HB VAL 12 -2.473 -0.114 -7.064
61 HG11 VAL 12 1HG1 VAL 12 -1.230 -0.156 -5.001
62 HG12 VAL 12 2HG1 VAL 12 -0.414 -1.171 -6.192
63 HG13 VAL 12 3HG1 VAL 12 -1.373 -1.912 -4.910
64 HG21 VAL 12 3HG2 VAL 12 -3.534 -2.272 -7.894
65 HG22 VAL 12 1HG2 VAL 12 -2.366 -3.115 -6.876
66 HG23 VAL 12 2HG2 VAL 12 -1.804 -2.079 -8.189
67 H GLU 13 H GLU 13 -6.177 -1.836 -5.236
68 HA GLU 13 HA GLU 13 -7.218 -0.853 -7.809
69 HB2 GLU 13 2HB GLU 13 -8.109 -3.200 -6.127
70 HB3 GLU 13 3HB GLU 13 -8.869 -2.693 -7.625
71 HG2 GLU 13 2HG GLU 13 -5.969 -3.455 -7.546
72 HG3 GLU 13 3HG GLU 13 -7.236 -4.678 -7.651
73 H PHE 14 H PHE 14 -7.733 -0.967 -4.342
74 HA PHE 14 HA PHE 14 -9.813 1.059 -4.549
75 HB2 PHE 14 2HB PHE 14 -11.223 -0.323 -2.848
76 HB3 PHE 14 3HB PHE 14 -11.292 -0.748 -4.552
77 HD1 PHE 14 HD2 PHE 14 -10.235 -2.768 -5.384
78 HD2 PHE 14 HD1 PHE 14 -10.201 -1.797 -1.247
79 HE1 PHE 14 HE2 PHE 14 -9.507 -5.056 -4.860
80 HE2 PHE 14 HE1 PHE 14 -9.465 -4.081 -0.712
81 HZ PHE 14 HZ PHE 14 -9.107 -5.700 -2.525
82 H TYR 15 H TYR 15 -7.918 -0.989 -2.327
83 HA TYR 15 HA TYR 15 -7.820 1.271 -0.436
84 HB2 TYR 15 2HB TYR 15 -8.952 -0.934 0.285
85 HB3 TYR 15 3HB TYR 15 -7.327 -1.594 0.340
86 HD1 TYR 15 HD1 TYR 15 -5.668 -0.650 1.991
87 HD2 TYR 15 HD2 TYR 15 -9.779 0.469 2.014
88 HE1 TYR 15 HE1 TYR 15 -5.415 0.214 4.275
89 HE2 TYR 15 HE2 TYR 15 -9.530 1.340 4.299
90 HH TYR 15 HH TYR 15 -8.058 1.023 6.241
91 HA PRO 16 HA PRO 16 -3.439 0.587 -1.979
92 HB2 PRO 16 2HB PRO 16 -2.865 3.201 -2.477
93 HB3 PRO 16 3HB PRO 16 -3.698 2.170 -3.656
94 HG2 PRO 16 2HG PRO 16 -4.845 4.179 -1.773
95 HG3 PRO 16 3HG PRO 16 -5.232 3.886 -3.480
96 HD2 PRO 16 2HD PRO 16 -6.762 2.938 -1.454
97 HD3 PRO 16 3HD PRO 16 -6.592 2.102 -3.006
98 H CYS 17 H CYS 17 -1.422 2.157 -1.255
99 HA CYS 17 HA CYS 17 -1.272 1.910 1.574
100 HB2 CYS 17 2HB CYS 17 0.581 3.174 -0.454
101 HB3 CYS 17 3HB CYS 17 0.959 3.059 1.257
102 H CYS 18 H CYS 18 -0.083 4.016 2.699
103 HA CYS 18 HA CYS 18 -2.169 6.013 2.790
104 HB2 CYS 18 2HB CYS 18 0.223 5.383 4.477
105 HB3 CYS 18 3HB CYS 18 -0.552 6.957 4.620
106 HA PRO 19 HA PRO 19 0.192 8.673 0.011
107 HB2 PRO 19 2HB PRO 19 -1.717 10.560 -0.358
108 HB3 PRO 19 3HB PRO 19 -1.789 8.971 -1.140
109 HG2 PRO 19 2HG PRO 19 -3.298 9.987 1.204
110 HG3 PRO 19 3HG PRO 19 -3.813 8.884 -0.085
111 HD2 PRO 19 2HD PRO 19 -3.028 8.101 2.455
112 HD3 PRO 19 3HD PRO 19 -3.065 7.051 1.026
113 H GLY 20 H GLY 20 1.134 10.769 0.037
114 HA2 GLY 20 2HA GLY 20 1.650 12.871 0.975
115 HA3 GLY 20 3HA GLY 20 0.730 12.436 2.406
116 H LEU 21 H LEU 21 2.060 9.847 2.717
117 HA LEU 21 HA LEU 21 4.397 10.761 4.153
118 HB2 LEU 21 2HB LEU 21 3.376 7.935 3.904
119 HB3 LEU 21 3HB LEU 21 4.450 8.563 5.129
120 HG LEU 21 HG LEU 21 1.584 9.472 4.849
121 HD11 LEU 21 1HD1 LEU 21 1.011 7.921 6.613
122 HD12 LEU 21 2HD1 LEU 21 2.670 7.322 6.660
123 HD13 LEU 21 3HD1 LEU 21 1.674 7.049 5.231
124 HD21 LEU 21 3HD2 LEU 21 1.878 10.179 7.182
125 HD22 LEU 21 1HD2 LEU 21 3.029 10.980 6.113
126 HD23 LEU 21 2HD2 LEU 21 3.557 9.642 7.133
127 H GLY 22 H GLY 22 3.828 8.092 1.825
128 HA2 GLY 22 2HA GLY 22 5.357 8.295 -0.211
129 HA3 GLY 22 3HA GLY 22 6.643 8.340 0.981
130 H LEU 23 H LEU 23 3.759 6.291 1.149
131 HA LEU 23 HA LEU 23 5.479 3.939 1.293
132 HB2 LEU 23 2HB LEU 23 2.565 4.442 1.862
133 HB3 LEU 23 3HB LEU 23 3.156 2.810 1.670
134 HG LEU 23 HG LEU 23 2.923 3.405 4.021
135 HD11 LEU 23 1HD1 LEU 23 5.863 3.220 3.464
136 HD12 LEU 23 2HD1 LEU 23 4.758 1.868 3.221
137 HD13 LEU 23 3HD1 LEU 23 4.954 2.569 4.826
138 HD21 LEU 23 3HD2 LEU 23 4.826 5.626 3.362
139 HD22 LEU 23 1HD2 LEU 23 4.573 5.040 5.007
140 HD23 LEU 23 2HD2 LEU 23 3.227 5.725 4.099
141 H THR 24 H THR 24 5.076 2.031 0.077
142 HA THR 24 HA THR 24 3.521 2.277 -2.382
143 HB THR 24 HB THR 24 5.724 3.008 -3.101
144 HG1 THR 24 HG1 THR 24 5.163 0.335 -3.908
145 HG21 THR 24 3HG2 THR 24 7.682 1.434 -2.997
146 HG22 THR 24 1HG2 THR 24 6.751 0.448 -1.866
147 HG23 THR 24 2HG2 THR 24 7.195 2.101 -1.438
148 H CYS 25 H CYS 25 2.427 0.447 -2.827
149 HA CYS 25 HA CYS 25 2.826 -1.864 -1.119
150 HB2 CYS 25 2HB CYS 25 0.638 -0.728 -2.601
151 HB3 CYS 25 3HB CYS 25 0.833 -2.422 -3.032
152 H ILE 26 H ILE 26 3.971 -3.591 -1.635
153 HA ILE 26 HA ILE 26 4.558 -4.122 -4.472
154 HB ILE 26 HB ILE 26 6.453 -4.601 -2.163
155 HG12 ILE 26 2HG1 ILE 26 6.187 -2.188 -2.541
156 HG13 ILE 26 3HG1 ILE 26 7.792 -2.720 -3.000
157 HG21 ILE 26 1HG2 ILE 26 8.120 -5.189 -3.755
158 HG22 ILE 26 2HG2 ILE 26 7.079 -4.731 -5.105
159 HG23 ILE 26 3HG2 ILE 26 6.676 -6.138 -4.121
160 HD11 ILE 26 3HD1 ILE 26 7.091 -2.659 -5.375
161 HD12 ILE 26 1HD1 ILE 26 6.969 -1.089 -4.579
162 HD13 ILE 26 2HD1 ILE 26 5.518 -2.048 -4.867
163 HA PRO 27 HA PRO 27 4.612 -5.523 -5.986
164 HB2 PRO 27 2HB PRO 27 2.783 -6.970 -7.350
165 HB3 PRO 27 3HB PRO 27 4.365 -7.617 -6.887
166 HG2 PRO 27 2HG PRO 27 1.713 -8.049 -5.604
167 HG3 PRO 27 3HG PRO 27 3.011 -9.216 -5.925
168 HD2 PRO 27 2HD PRO 27 2.602 -8.089 -3.483
169 HD3 PRO 27 3HD PRO 27 4.196 -8.614 -4.057
170 H GLY 28 H GLY 28 1.473 -5.970 -4.440
171 HA2 GLY 28 2HA GLY 28 -0.028 -4.167 -4.056
172 HA3 GLY 28 3HA GLY 28 0.617 -3.357 -5.476
173 H ASN 29 H ASN 29 0.375 -5.980 -7.007
174 HA ASN 29 HA ASN 29 -2.537 -5.821 -7.467
175 HB2 ASN 29 2HB ASN 29 -0.278 -6.352 -9.407
176 HB3 ASN 29 3HB ASN 29 -1.971 -6.614 -9.810
177 HD21 ASN 29 1HD2 ASN 29 -3.339 -4.846 -10.040
178 HD22 ASN 29 2HD2 ASN 29 -2.734 -3.242 -10.253
179 HA PRO 30 HA PRO 30 -4.403 -6.852 -7.250
180 HB2 PRO 30 2HB PRO 30 -5.692 -8.180 -5.250
181 HB3 PRO 30 3HB PRO 30 -5.755 -8.693 -6.946
182 HG2 PRO 30 2HG PRO 30 -4.091 -9.761 -4.719
183 HG3 PRO 30 3HG PRO 30 -4.960 -10.632 -5.998
184 HD2 PRO 30 2HD PRO 30 -2.294 -10.190 -6.098
185 HD3 PRO 30 3HD PRO 30 -3.306 -10.278 -7.552
186 H ASP 31 H ASP 31 -2.299 -7.876 -4.643
187 HA ASP 31 HA ASP 31 -2.400 -5.245 -3.445
188 HB2 ASP 31 2HB ASP 31 -2.783 -6.169 -1.126
189 HB3 ASP 31 3HB ASP 31 -4.197 -6.182 -2.169
190 H GLY 32 H GLY 32 -0.650 -4.798 -2.060
191 HA2 GLY 32 2HA GLY 32 1.446 -6.852 -1.876
192 HA3 GLY 32 3HA GLY 32 1.827 -5.310 -2.627
193 H THR 33 H THR 33 3.482 -5.396 -0.849
194 HA THR 33 HA THR 33 2.420 -4.618 1.763
195 HB THR 33 HB THR 33 5.039 -4.670 2.237
196 HG1 THR 33 HG1 THR 33 5.212 -6.870 0.681
197 HG21 THR 33 3HG2 THR 33 4.774 -6.992 2.984
198 HG22 THR 33 1HG2 THR 33 3.296 -7.123 2.030
199 HG23 THR 33 2HG2 THR 33 3.368 -6.010 3.396
200 H CYS 34 H CYS 34 2.619 -2.671 2.616
201 HA CYS 34 HA CYS 34 3.426 -0.491 0.913
202 HB2 CYS 34 2HB CYS 34 2.233 -0.624 3.681
203 HB3 CYS 34 3HB CYS 34 2.691 0.897 2.922
204 H TYR 35 H TYR 35 5.477 -0.087 0.682
205 HA TYR 35 HA TYR 35 7.257 -0.087 3.026
206 HB2 TYR 35 2HB TYR 35 7.781 -0.647 0.115
207 HB3 TYR 35 3HB TYR 35 9.086 -0.184 1.201
208 HD1 TYR 35 HD2 TYR 35 9.406 -1.620 3.319
209 HD2 TYR 35 HD1 TYR 35 7.133 -2.889 -0.051
210 HE1 TYR 35 HE2 TYR 35 9.636 -3.947 4.050
211 HE2 TYR 35 HE1 TYR 35 7.355 -5.224 0.677
212 HH TYR 35 HH TYR 35 8.863 -6.588 2.063
213 H TYR 36 H TYR 36 8.679 1.632 3.339
214 HA TYR 36 HA TYR 36 7.699 4.178 2.394
215 HB2 TYR 36 2HB TYR 36 9.478 3.241 4.522
216 HB3 TYR 36 3HB TYR 36 10.028 4.731 3.764
217 HD1 TYR 36 HD2 TYR 36 8.274 6.643 3.564
218 HD2 TYR 36 HD1 TYR 36 7.852 3.320 6.190
219 HE1 TYR 36 HE2 TYR 36 6.681 7.927 4.923
220 HE2 TYR 36 HE1 TYR 36 6.255 4.597 7.554
221 HH TYR 36 HH TYR 36 5.688 6.944 8.015
222 H LEU 37 H LEU 37 8.452 5.389 0.806
223 HA LEU 37 HA LEU 37 10.578 4.401 -0.870
224 HB2 LEU 37 2HB LEU 37 8.756 6.792 -1.117
225 HB3 LEU 37 3HB LEU 37 9.975 6.380 -2.305
226 HG LEU 37 HG LEU 37 7.921 4.328 -1.589
227 HD11 LEU 37 1HD1 LEU 37 7.464 6.649 -3.459
228 HD12 LEU 37 2HD1 LEU 37 6.609 6.338 -1.948
229 HD13 LEU 37 3HD1 LEU 37 6.424 5.232 -3.309
230 HD21 LEU 37 3HD2 LEU 37 8.232 3.700 -3.934
231 HD22 LEU 37 1HD2 LEU 37 9.769 3.725 -3.069
232 HD23 LEU 37 2HD2 LEU 37 9.344 5.050 -4.152
Start of MODEL 12
1 H1 PCA 1 H1 PCA 1 -10.399 2.479 3.331
2 HA PCA 1 HA PCA 1 -11.728 4.543 2.290
3 HB2 PCA 1 3HB PCA 1 -11.414 6.052 4.127
4 HB3 PCA 1 2HB PCA 1 -9.853 6.437 3.304
5 HG2 PCA 1 3HG PCA 1 -11.254 5.521 5.769
6 HG3 PCA 1 2HG PCA 1 -9.488 5.430 5.538
7 H GLY 2 H GLY 2 -8.406 3.585 3.046
8 HA2 GLY 2 2HA GLY 2 -7.209 2.846 0.917
9 HA3 GLY 2 3HA GLY 2 -7.508 4.492 0.388
10 H CYS 3 H CYS 3 -6.511 3.278 3.571
11 HA CYS 3 HA CYS 3 -3.893 4.554 3.232
12 HB2 CYS 3 2HB CYS 3 -5.765 5.920 4.550
13 HB3 CYS 3 3HB CYS 3 -5.246 4.882 5.872
14 H ALA 4 H ALA 4 -2.483 2.971 3.466
15 HA ALA 4 HA ALA 4 -2.878 1.010 5.631
16 HB1 ALA 4 3HB ALA 4 -1.145 0.407 3.277
17 HB2 ALA 4 1HB ALA 4 -2.897 0.269 3.126
18 HB3 ALA 4 2HB ALA 4 -2.036 -0.692 4.329
19 H PHE 5 H PHE 5 -1.063 0.392 6.853
20 HA PHE 5 HA PHE 5 1.032 2.420 6.997
21 HB2 PHE 5 2HB PHE 5 0.205 0.187 8.859
22 HB3 PHE 5 3HB PHE 5 1.618 1.196 9.145
23 HD1 PHE 5 HD2 PHE 5 -2.033 1.072 9.097
24 HD2 PHE 5 HD1 PHE 5 1.382 3.512 9.801
25 HE1 PHE 5 HE2 PHE 5 -3.458 2.737 10.217
26 HE2 PHE 5 HE1 PHE 5 -0.036 5.179 10.924
27 HZ PHE 5 HZ PHE 5 -2.459 4.793 11.132
28 H GLU 6 H GLU 6 3.301 1.576 7.609
29 HA GLU 6 HA GLU 6 4.331 0.054 5.464
30 HB2 GLU 6 2HB GLU 6 5.535 1.805 6.885
31 HB3 GLU 6 3HB GLU 6 5.780 0.532 8.068
32 HG2 GLU 6 2HG GLU 6 6.911 -0.781 6.230
33 HG3 GLU 6 3HG GLU 6 6.860 0.695 5.266
34 H GLY 7 H GLY 7 4.918 -2.019 5.249
35 HA2 GLY 7 2HA GLY 7 5.322 -4.247 5.815
36 HA3 GLY 7 3HA GLY 7 4.960 -3.863 7.490
37 H GLU 8 H GLU 8 2.445 -2.581 5.906
38 HA GLU 8 HA GLU 8 0.744 -4.905 6.395
39 HB2 GLU 8 2HB GLU 8 0.348 -2.457 7.242
40 HB3 GLU 8 3HB GLU 8 -0.271 -2.186 5.620
41 HG2 GLU 8 2HG GLU 8 -1.943 -3.915 5.943
42 HG3 GLU 8 3HG GLU 8 -1.299 -4.261 7.547
43 H SER 9 H SER 9 -0.939 -5.480 4.863
44 HA SER 9 HA SER 9 0.011 -5.284 2.103
45 HB2 SER 9 2HB SER 9 -0.411 -7.534 3.126
46 HB3 SER 9 3HB SER 9 -2.121 -7.118 3.229
47 HG SER 9 HG SER 9 -2.087 -6.864 0.935
48 H CYS 10 H CYS 10 -0.846 -3.793 0.848
49 HA CYS 10 HA CYS 10 -3.681 -3.072 1.206
50 HB2 CYS 10 2HB CYS 10 -3.236 -0.831 0.836
51 HB3 CYS 10 3HB CYS 10 -1.785 -1.323 1.698
52 H ASN 11 H ASN 11 -4.870 -2.550 -0.698
53 HA ASN 11 HA ASN 11 -3.928 -3.981 -3.074
54 HB2 ASN 11 2HB ASN 11 -6.730 -3.029 -2.480
55 HB3 ASN 11 3HB ASN 11 -6.237 -4.133 -3.756
56 HD21 ASN 11 1HD2 ASN 11 -6.448 -3.748 -0.271
57 HD22 ASN 11 2HD2 ASN 11 -6.606 -5.431 0.094
58 H VAL 12 H VAL 12 -3.728 -2.984 -5.035
59 HA VAL 12 HA VAL 12 -3.772 -0.068 -4.951
60 HB VAL 12 HB VAL 12 -2.494 -0.101 -7.042
61 HG11 VAL 12 1HG1 VAL 12 -1.383 -1.907 -4.898
62 HG12 VAL 12 2HG1 VAL 12 -1.254 -0.149 -4.972
63 HG13 VAL 12 3HG1 VAL 12 -0.430 -1.148 -6.173
64 HG21 VAL 12 3HG2 VAL 12 -2.377 -3.103 -6.863
65 HG22 VAL 12 1HG2 VAL 12 -1.812 -2.060 -8.170
66 HG23 VAL 12 2HG2 VAL 12 -3.544 -2.260 -7.882
67 H GLU 13 H GLU 13 -6.188 -1.851 -5.221
68 HA GLU 13 HA GLU 13 -7.238 -0.856 -7.786
69 HB2 GLU 13 2HB GLU 13 -8.111 -3.224 -6.123
70 HB3 GLU 13 3HB GLU 13 -8.875 -2.710 -7.616
71 HG2 GLU 13 2HG GLU 13 -5.970 -3.450 -7.546
72 HG3 GLU 13 3HG GLU 13 -7.227 -4.683 -7.658
73 H PHE 14 H PHE 14 -7.747 -0.999 -4.319
74 HA PHE 14 HA PHE 14 -9.844 1.013 -4.509
75 HB2 PHE 14 2HB PHE 14 -11.242 -0.392 -2.817
76 HB3 PHE 14 3HB PHE 14 -11.309 -0.804 -4.525
77 HD1 PHE 14 HD1 PHE 14 -10.238 -2.810 -5.375
78 HD2 PHE 14 HD2 PHE 14 -10.209 -1.872 -1.231
79 HE1 PHE 14 HE1 PHE 14 -9.491 -5.097 -4.868
80 HE2 PHE 14 HE2 PHE 14 -9.463 -4.157 -0.712
81 HZ PHE 14 HZ PHE 14 -9.088 -5.758 -2.539
82 H TYR 15 H TYR 15 -7.924 -1.036 -2.310
83 HA TYR 15 HA TYR 15 -7.850 1.208 -0.397
84 HB2 TYR 15 2HB TYR 15 -8.954 -1.016 0.304
85 HB3 TYR 15 3HB TYR 15 -7.321 -1.659 0.350
86 HD1 TYR 15 HD1 TYR 15 -5.656 -0.650 1.985
87 HD2 TYR 15 HD2 TYR 15 -9.809 0.297 2.073
88 HE1 TYR 15 HE1 TYR 15 -5.411 0.191 4.279
89 HE2 TYR 15 HE2 TYR 15 -9.569 1.145 4.367
90 HH TYR 15 HH TYR 15 -8.059 0.861 6.288
91 HA PRO 16 HA PRO 16 -3.460 0.591 -1.955
92 HB2 PRO 16 2HB PRO 16 -2.920 3.214 -2.437
93 HB3 PRO 16 3HB PRO 16 -3.748 2.183 -3.620
94 HG2 PRO 16 2HG PRO 16 -4.910 4.162 -1.713
95 HG3 PRO 16 3HG PRO 16 -5.299 3.883 -3.422
96 HD2 PRO 16 2HD PRO 16 -6.813 2.897 -1.405
97 HD3 PRO 16 3HD PRO 16 -6.634 2.076 -2.965
98 H CYS 17 H CYS 17 -1.457 2.165 -1.227
99 HA CYS 17 HA CYS 17 -1.306 1.917 1.605
100 HB2 CYS 17 2HB CYS 17 0.552 3.187 -0.417
101 HB3 CYS 17 3HB CYS 17 0.929 3.052 1.292
102 H CYS 18 H CYS 18 -0.087 4.040 2.700
103 HA CYS 18 HA CYS 18 -2.174 6.042 2.792
104 HB2 CYS 18 2HB CYS 18 0.213 5.405 4.486
105 HB3 CYS 18 3HB CYS 18 -0.566 6.979 4.629
106 HA PRO 19 HA PRO 19 0.215 8.686 0.021
107 HB2 PRO 19 2HB PRO 19 -1.679 10.586 -0.354
108 HB3 PRO 19 3HB PRO 19 -1.760 8.997 -1.135
109 HG2 PRO 19 2HG PRO 19 -3.266 10.025 1.205
110 HG3 PRO 19 3HG PRO 19 -3.789 8.929 -0.087
111 HD2 PRO 19 2HD PRO 19 -3.018 8.134 2.453
112 HD3 PRO 19 3HD PRO 19 -3.056 7.087 1.021
113 H GLY 20 H GLY 20 1.151 10.794 0.045
114 HA2 GLY 20 2HA GLY 20 1.680 12.885 0.991
115 HA3 GLY 20 3HA GLY 20 0.756 12.451 2.420
116 H LEU 21 H LEU 21 2.069 9.859 2.736
117 HA LEU 21 HA LEU 21 4.409 10.756 4.176
118 HB2 LEU 21 2HB LEU 21 3.377 7.935 3.912
119 HB3 LEU 21 3HB LEU 21 4.453 8.553 5.140
120 HG LEU 21 HG LEU 21 1.591 9.472 4.865
121 HD11 LEU 21 1HD1 LEU 21 2.674 7.307 6.661
122 HD12 LEU 21 2HD1 LEU 21 1.669 7.050 5.236
123 HD13 LEU 21 3HD1 LEU 21 1.019 7.916 6.627
124 HD21 LEU 21 3HD2 LEU 21 3.040 10.970 6.136
125 HD22 LEU 21 1HD2 LEU 21 3.565 9.626 7.149
126 HD23 LEU 21 2HD2 LEU 21 1.888 10.168 7.202
127 H GLY 22 H GLY 22 3.832 8.104 1.832
128 HA2 GLY 22 2HA GLY 22 5.363 8.305 -0.200
129 HA3 GLY 22 3HA GLY 22 6.649 8.344 0.994
130 H LEU 23 H LEU 23 3.758 6.301 1.149
131 HA LEU 23 HA LEU 23 5.472 3.947 1.294
132 HB2 LEU 23 2HB LEU 23 2.558 4.452 1.859
133 HB3 LEU 23 3HB LEU 23 3.148 2.820 1.664
134 HG LEU 23 HG LEU 23 2.913 3.410 4.017
135 HD11 LEU 23 1HD1 LEU 23 4.745 1.869 3.213
136 HD12 LEU 23 2HD1 LEU 23 4.940 2.565 4.820
137 HD13 LEU 23 3HD1 LEU 23 5.853 3.218 3.461
138 HD21 LEU 23 3HD2 LEU 23 3.225 5.727 4.110
139 HD22 LEU 23 1HD2 LEU 23 4.818 5.630 3.360
140 HD23 LEU 23 2HD2 LEU 23 4.578 5.036 5.003
141 H THR 24 H THR 24 5.069 2.042 0.077
142 HA THR 24 HA THR 24 3.518 2.287 -2.385
143 HB THR 24 HB THR 24 5.723 3.020 -3.099
144 HG1 THR 24 HG1 THR 24 6.143 0.796 -4.364
145 HG21 THR 24 3HG2 THR 24 6.747 0.454 -1.873
146 HG22 THR 24 1HG2 THR 24 7.188 2.104 -1.432
147 HG23 THR 24 2HG2 THR 24 7.681 1.447 -2.994
148 H CYS 25 H CYS 25 2.421 0.457 -2.824
149 HA CYS 25 HA CYS 25 2.825 -1.854 -1.117
150 HB2 CYS 25 2HB CYS 25 0.635 -0.720 -2.592
151 HB3 CYS 25 3HB CYS 25 0.831 -2.410 -3.032
152 H ILE 26 H ILE 26 3.970 -3.581 -1.635
153 HA ILE 26 HA ILE 26 4.554 -4.109 -4.472
154 HB ILE 26 HB ILE 26 6.455 -4.592 -2.169
155 HG12 ILE 26 2HG1 ILE 26 6.188 -2.179 -2.532
156 HG13 ILE 26 3HG1 ILE 26 7.790 -2.706 -3.007
157 HG21 ILE 26 1HG2 ILE 26 6.688 -6.126 -4.117
158 HG22 ILE 26 2HG2 ILE 26 8.122 -5.154 -3.780
159 HG23 ILE 26 3HG2 ILE 26 7.057 -4.720 -5.119
160 HD11 ILE 26 3HD1 ILE 26 6.961 -1.070 -4.573
161 HD12 ILE 26 1HD1 ILE 26 5.499 -2.019 -4.848
162 HD13 ILE 26 2HD1 ILE 26 7.063 -2.636 -5.377
163 HA PRO 27 HA PRO 27 4.610 -5.508 -5.988
164 HB2 PRO 27 2HB PRO 27 2.780 -6.955 -7.353
165 HB3 PRO 27 3HB PRO 27 4.366 -7.601 -6.893
166 HG2 PRO 27 2HG PRO 27 1.715 -8.039 -5.608
167 HG3 PRO 27 3HG PRO 27 3.015 -9.203 -5.932
168 HD2 PRO 27 2HD PRO 27 2.606 -8.080 -3.488
169 HD3 PRO 27 3HD PRO 27 4.200 -8.602 -4.064
170 H GLY 28 H GLY 28 1.474 -5.957 -4.438
171 HA2 GLY 28 2HA GLY 28 -0.030 -4.158 -4.051
172 HA3 GLY 28 3HA GLY 28 0.614 -3.345 -5.469
173 H ASN 29 H ASN 29 0.376 -5.960 -7.009
174 HA ASN 29 HA ASN 29 -2.538 -5.810 -7.464
175 HB2 ASN 29 2HB ASN 29 -0.279 -6.325 -9.410
176 HB3 ASN 29 3HB ASN 29 -1.971 -6.592 -9.811
177 HD21 ASN 29 1HD2 ASN 29 0.477 -4.230 -9.123
178 HD22 ASN 29 2HD2 ASN 29 -0.405 -2.855 -9.682
179 HA PRO 30 HA PRO 30 -4.401 -6.848 -7.252
180 HB2 PRO 30 2HB PRO 30 -5.683 -8.189 -5.255
181 HB3 PRO 30 3HB PRO 30 -5.747 -8.694 -6.955
182 HG2 PRO 30 2HG PRO 30 -4.076 -9.764 -4.732
183 HG3 PRO 30 3HG PRO 30 -4.944 -10.635 -6.013
184 HD2 PRO 30 2HD PRO 30 -2.280 -10.183 -6.116
185 HD3 PRO 30 3HD PRO 30 -3.294 -10.268 -7.568
186 H ASP 31 H ASP 31 -2.293 -7.873 -4.650
187 HA ASP 31 HA ASP 31 -2.400 -5.246 -3.445
188 HB2 ASP 31 2HB ASP 31 -2.778 -6.180 -1.126
189 HB3 ASP 31 3HB ASP 31 -4.193 -6.190 -2.169
190 H GLY 32 H GLY 32 -0.651 -4.800 -2.057
191 HA2 GLY 32 2HA GLY 32 1.449 -6.849 -1.878
192 HA3 GLY 32 3HA GLY 32 1.827 -5.306 -2.629
193 H THR 33 H THR 33 3.483 -5.387 -0.853
194 HA THR 33 HA THR 33 2.422 -4.614 1.761
195 HB THR 33 HB THR 33 5.043 -4.661 2.230
196 HG1 THR 33 HG1 THR 33 5.031 -6.848 0.535
197 HG21 THR 33 3HG2 THR 33 4.778 -6.981 2.987
198 HG22 THR 33 1HG2 THR 33 3.298 -7.115 2.036
199 HG23 THR 33 2HG2 THR 33 3.373 -5.996 3.398
200 H CYS 34 H CYS 34 2.614 -2.666 2.612
201 HA CYS 34 HA CYS 34 3.420 -0.484 0.910
202 HB2 CYS 34 2HB CYS 34 2.236 -0.612 3.684
203 HB3 CYS 34 3HB CYS 34 2.681 0.905 2.913
204 H TYR 35 H TYR 35 5.471 -0.083 0.678
205 HA TYR 35 HA TYR 35 7.254 -0.086 3.020
206 HB2 TYR 35 2HB TYR 35 7.773 -0.643 0.108
207 HB3 TYR 35 3HB TYR 35 9.080 -0.181 1.192
208 HD1 TYR 35 HD2 TYR 35 9.404 -1.618 3.308
209 HD2 TYR 35 HD1 TYR 35 7.124 -2.885 -0.058
210 HE1 TYR 35 HE2 TYR 35 9.636 -3.945 4.037
211 HE2 TYR 35 HE1 TYR 35 7.347 -5.220 0.669
212 HH TYR 35 HH TYR 35 8.853 -6.586 2.049
213 H TYR 36 H TYR 36 8.674 1.633 3.336
214 HA TYR 36 HA TYR 36 7.694 4.179 2.397
215 HB2 TYR 36 2HB TYR 36 9.479 3.239 4.518
216 HB3 TYR 36 3HB TYR 36 10.025 4.731 3.762
217 HD1 TYR 36 HD2 TYR 36 8.273 6.643 3.573
218 HD2 TYR 36 HD1 TYR 36 7.850 3.308 6.184
219 HE1 TYR 36 HE2 TYR 36 6.681 7.921 4.939
220 HE2 TYR 36 HE1 TYR 36 6.254 4.579 7.555
221 HH TYR 36 HH TYR 36 4.844 7.480 6.527
222 H LEU 37 H LEU 37 8.447 5.399 0.814
223 HA LEU 37 HA LEU 37 10.569 4.414 -0.871
224 HB2 LEU 37 2HB LEU 37 8.744 6.803 -1.109
225 HB3 LEU 37 3HB LEU 37 9.962 6.395 -2.300
226 HG LEU 37 HG LEU 37 7.912 4.339 -1.583
227 HD11 LEU 37 1HD1 LEU 37 6.597 6.351 -1.936
228 HD12 LEU 37 2HD1 LEU 37 6.409 5.244 -3.297
229 HD13 LEU 37 3HD1 LEU 37 7.447 6.661 -3.451
230 HD21 LEU 37 3HD2 LEU 37 9.324 5.069 -4.151
231 HD22 LEU 37 1HD2 LEU 37 8.220 3.712 -3.928
232 HD23 LEU 37 2HD2 LEU 37 9.761 3.746 -3.071
Start of MODEL 13
1 H1 PCA 1 H1 PCA 1 -10.383 7.069 3.238
2 HA PCA 1 HA PCA 1 -10.434 4.492 3.916
3 HB2 PCA 1 3HB PCA 1 -12.614 4.003 3.036
4 HB3 PCA 1 2HB PCA 1 -11.724 3.738 1.486
5 HG2 PCA 1 3HG PCA 1 -13.884 5.178 2.949
6 HG3 PCA 1 2HG PCA 1 -13.321 5.625 1.318
7 H GLY 2 H GLY 2 -8.683 3.443 3.079
8 HA2 GLY 2 2HA GLY 2 -7.359 2.730 1.175
9 HA3 GLY 2 3HA GLY 2 -7.618 4.316 0.469
10 H CYS 3 H CYS 3 -6.509 3.188 3.662
11 HA CYS 3 HA CYS 3 -3.937 4.525 3.232
12 HB2 CYS 3 2HB CYS 3 -5.777 5.890 4.594
13 HB3 CYS 3 3HB CYS 3 -5.223 4.864 5.909
14 H ALA 4 H ALA 4 -2.490 2.968 3.459
15 HA ALA 4 HA ALA 4 -2.846 0.986 5.611
16 HB1 ALA 4 3HB ALA 4 -1.978 -0.682 4.291
17 HB2 ALA 4 1HB ALA 4 -1.069 0.443 3.281
18 HB3 ALA 4 2HB ALA 4 -2.814 0.295 3.084
19 H PHE 5 H PHE 5 -1.021 0.366 6.820
20 HA PHE 5 HA PHE 5 1.048 2.425 7.005
21 HB2 PHE 5 2HB PHE 5 -0.386 1.418 8.971
22 HB3 PHE 5 3HB PHE 5 0.800 0.120 8.915
23 HD1 PHE 5 HD2 PHE 5 0.316 3.720 9.536
24 HD2 PHE 5 HD1 PHE 5 3.002 0.426 9.759
25 HE1 PHE 5 HE2 PHE 5 1.830 5.056 10.942
26 HE2 PHE 5 HE1 PHE 5 4.520 1.755 11.167
27 HZ PHE 5 HZ PHE 5 3.936 4.073 11.758
28 H GLU 6 H GLU 6 3.320 1.593 7.603
29 HA GLU 6 HA GLU 6 4.354 0.061 5.473
30 HB2 GLU 6 2HB GLU 6 5.555 1.810 6.895
31 HB3 GLU 6 3HB GLU 6 5.793 0.539 8.081
32 HG2 GLU 6 2HG GLU 6 6.946 -0.779 6.275
33 HG3 GLU 6 3HG GLU 6 6.870 0.669 5.274
34 H GLY 7 H GLY 7 4.925 -2.011 5.254
35 HA2 GLY 7 2HA GLY 7 5.324 -4.242 5.817
36 HA3 GLY 7 3HA GLY 7 4.963 -3.858 7.493
37 H GLU 8 H GLU 8 2.452 -2.564 5.915
38 HA GLU 8 HA GLU 8 0.743 -4.883 6.400
39 HB2 GLU 8 2HB GLU 8 0.357 -2.431 7.248
40 HB3 GLU 8 3HB GLU 8 -0.268 -2.161 5.628
41 HG2 GLU 8 2HG GLU 8 -1.942 -3.886 5.959
42 HG3 GLU 8 3HG GLU 8 -1.293 -4.232 7.561
43 H SER 9 H SER 9 -0.934 -5.461 4.870
44 HA SER 9 HA SER 9 0.013 -5.261 2.110
45 HB2 SER 9 2HB SER 9 -2.030 -7.118 3.358
46 HB3 SER 9 3HB SER 9 -1.500 -7.171 1.676
47 HG SER 9 HG SER 9 -0.268 -8.110 3.931
48 H CYS 10 H CYS 10 -0.847 -3.788 0.836
49 HA CYS 10 HA CYS 10 -3.681 -3.062 1.195
50 HB2 CYS 10 2HB CYS 10 -3.239 -0.822 0.816
51 HB3 CYS 10 3HB CYS 10 -1.796 -1.308 1.693
52 H ASN 11 H ASN 11 -4.865 -2.532 -0.712
53 HA ASN 11 HA ASN 11 -3.927 -3.972 -3.084
54 HB2 ASN 11 2HB ASN 11 -6.725 -3.007 -2.495
55 HB3 ASN 11 3HB ASN 11 -6.237 -4.115 -3.768
56 HD21 ASN 11 1HD2 ASN 11 -6.462 -3.724 -0.286
57 HD22 ASN 11 2HD2 ASN 11 -6.625 -5.405 0.082
58 H VAL 12 H VAL 12 -3.719 -2.982 -5.046
59 HA VAL 12 HA VAL 12 -3.752 -0.066 -4.970
60 HB VAL 12 HB VAL 12 -2.473 -0.110 -7.060
61 HG11 VAL 12 1HG1 VAL 12 -1.236 -0.157 -4.989
62 HG12 VAL 12 2HG1 VAL 12 -0.413 -1.159 -6.187
63 HG13 VAL 12 3HG1 VAL 12 -1.370 -1.915 -4.912
64 HG21 VAL 12 3HG2 VAL 12 -1.799 -2.073 -8.184
65 HG22 VAL 12 1HG2 VAL 12 -3.531 -2.265 -7.896
66 HG23 VAL 12 2HG2 VAL 12 -2.368 -3.111 -6.876
67 H GLU 13 H GLU 13 -6.177 -1.837 -5.237
68 HA GLU 13 HA GLU 13 -7.217 -0.848 -7.809
69 HB2 GLU 13 2HB GLU 13 -8.107 -3.201 -6.136
70 HB3 GLU 13 3HB GLU 13 -8.866 -2.690 -7.633
71 HG2 GLU 13 2HG GLU 13 -5.965 -3.450 -7.552
72 HG3 GLU 13 3HG GLU 13 -7.231 -4.674 -7.661
73 H PHE 14 H PHE 14 -7.736 -0.975 -4.342
74 HA PHE 14 HA PHE 14 -9.819 1.050 -4.546
75 HB2 PHE 14 2HB PHE 14 -11.228 -0.338 -2.849
76 HB3 PHE 14 3HB PHE 14 -11.295 -0.759 -4.555
77 HD1 PHE 14 HD2 PHE 14 -10.236 -2.775 -5.392
78 HD2 PHE 14 HD1 PHE 14 -10.203 -1.815 -1.253
79 HE1 PHE 14 HE2 PHE 14 -9.506 -5.064 -4.874
80 HE2 PHE 14 HE1 PHE 14 -9.465 -4.100 -0.723
81 HZ PHE 14 HZ PHE 14 -9.104 -5.714 -2.540
82 H TYR 15 H TYR 15 -7.920 -0.999 -2.329
83 HA TYR 15 HA TYR 15 -7.832 1.254 -0.430
84 HB2 TYR 15 2HB TYR 15 -8.954 -0.957 0.283
85 HB3 TYR 15 3HB TYR 15 -7.326 -1.613 0.333
86 HD1 TYR 15 HD1 TYR 15 -5.662 -0.649 1.976
87 HD2 TYR 15 HD2 TYR 15 -9.787 0.412 2.029
88 HE1 TYR 15 HE1 TYR 15 -5.408 0.203 4.265
89 HE2 TYR 15 HE2 TYR 15 -9.538 1.272 4.319
90 HH TYR 15 HH TYR 15 -6.518 1.797 5.770
91 HA PRO 16 HA PRO 16 -3.446 0.595 -1.976
92 HB2 PRO 16 2HB PRO 16 -2.885 3.213 -2.466
93 HB3 PRO 16 3HB PRO 16 -3.715 2.183 -3.648
94 HG2 PRO 16 2HG PRO 16 -4.869 4.180 -1.756
95 HG3 PRO 16 3HG PRO 16 -5.256 3.893 -3.465
96 HD2 PRO 16 2HD PRO 16 -6.782 2.930 -1.443
97 HD3 PRO 16 3HD PRO 16 -6.606 2.100 -2.998
98 H CYS 17 H CYS 17 -1.434 2.162 -1.247
99 HA CYS 17 HA CYS 17 -1.286 1.915 1.583
100 HB2 CYS 17 2HB CYS 17 0.570 3.188 -0.440
101 HB3 CYS 17 3HB CYS 17 0.947 3.058 1.272
102 H CYS 18 H CYS 18 -0.087 4.026 2.700
103 HA CYS 18 HA CYS 18 -2.175 6.023 2.794
104 HB2 CYS 18 2HB CYS 18 0.216 5.391 4.482
105 HB3 CYS 18 3HB CYS 18 -0.559 6.965 4.625
106 HA PRO 19 HA PRO 19 0.193 8.679 0.016
107 HB2 PRO 19 2HB PRO 19 -1.711 10.571 -0.352
108 HB3 PRO 19 3HB PRO 19 -1.787 8.982 -1.134
109 HG2 PRO 19 2HG PRO 19 -3.291 10.002 1.211
110 HG3 PRO 19 3HG PRO 19 -3.812 8.902 -0.079
111 HD2 PRO 19 2HD PRO 19 -3.029 8.114 2.459
112 HD3 PRO 19 3HD PRO 19 -3.068 7.065 1.030
113 H GLY 20 H GLY 20 1.137 10.775 0.040
114 HA2 GLY 20 2HA GLY 20 1.660 12.874 0.978
115 HA3 GLY 20 3HA GLY 20 0.740 12.443 2.409
116 H LEU 21 H LEU 21 2.066 9.849 2.716
117 HA LEU 21 HA LEU 21 4.404 10.758 4.153
118 HB2 LEU 21 2HB LEU 21 3.378 7.933 3.901
119 HB3 LEU 21 3HB LEU 21 4.453 8.558 5.127
120 HG LEU 21 HG LEU 21 1.591 9.473 4.849
121 HD11 LEU 21 1HD1 LEU 21 2.673 7.315 6.653
122 HD12 LEU 21 2HD1 LEU 21 1.673 7.049 5.227
123 HD13 LEU 21 3HD1 LEU 21 1.016 7.920 6.613
124 HD21 LEU 21 3HD2 LEU 21 1.886 10.175 7.184
125 HD22 LEU 21 1HD2 LEU 21 3.038 10.975 6.116
126 HD23 LEU 21 2HD2 LEU 21 3.563 9.634 7.134
127 H GLY 22 H GLY 22 3.829 8.095 1.820
128 HA2 GLY 22 2HA GLY 22 5.356 8.294 -0.216
129 HA3 GLY 22 3HA GLY 22 6.643 8.341 0.974
130 H LEU 23 H LEU 23 3.759 6.291 1.145
131 HA LEU 23 HA LEU 23 5.478 3.939 1.292
132 HB2 LEU 23 2HB LEU 23 2.564 4.444 1.857
133 HB3 LEU 23 3HB LEU 23 3.153 2.812 1.665
134 HG LEU 23 HG LEU 23 2.918 3.408 4.017
135 HD11 LEU 23 1HD1 LEU 23 4.946 2.566 4.823
136 HD12 LEU 23 2HD1 LEU 23 5.857 3.214 3.462
137 HD13 LEU 23 3HD1 LEU 23 4.750 1.864 3.219
138 HD21 LEU 23 3HD2 LEU 23 3.229 5.724 4.104
139 HD22 LEU 23 1HD2 LEU 23 4.822 5.626 3.355
140 HD23 LEU 23 2HD2 LEU 23 4.582 5.036 4.999
141 H THR 24 H THR 24 5.077 2.031 0.076
142 HA THR 24 HA THR 24 3.526 2.275 -2.385
143 HB THR 24 HB THR 24 5.731 3.006 -3.101
144 HG1 THR 24 HG1 THR 24 6.110 0.687 -4.299
145 HG21 THR 24 3HG2 THR 24 6.755 0.446 -1.864
146 HG22 THR 24 1HG2 THR 24 7.199 2.098 -1.435
147 HG23 THR 24 2HG2 THR 24 7.687 1.429 -2.993
148 H CYS 25 H CYS 25 2.428 0.447 -2.825
149 HA CYS 25 HA CYS 25 2.826 -1.864 -1.118
150 HB2 CYS 25 2HB CYS 25 0.639 -0.727 -2.598
151 HB3 CYS 25 3HB CYS 25 0.834 -2.420 -3.033
152 H ILE 26 H ILE 26 3.971 -3.591 -1.632
153 HA ILE 26 HA ILE 26 4.558 -4.123 -4.469
154 HB ILE 26 HB ILE 26 6.453 -4.605 -2.159
155 HG12 ILE 26 2HG1 ILE 26 6.190 -2.192 -2.532
156 HG13 ILE 26 3HG1 ILE 26 7.793 -2.724 -2.998
157 HG21 ILE 26 1HG2 ILE 26 6.672 -6.138 -4.122
158 HG22 ILE 26 2HG2 ILE 26 8.117 -5.196 -3.748
159 HG23 ILE 26 3HG2 ILE 26 7.085 -4.729 -5.101
160 HD11 ILE 26 3HD1 ILE 26 6.969 -1.089 -4.572
161 HD12 ILE 26 1HD1 ILE 26 5.512 -2.045 -4.856
162 HD13 ILE 26 2HD1 ILE 26 7.083 -2.658 -5.371
163 HA PRO 27 HA PRO 27 4.612 -5.524 -5.983
164 HB2 PRO 27 2HB PRO 27 2.782 -6.969 -7.348
165 HB3 PRO 27 3HB PRO 27 4.365 -7.619 -6.885
166 HG2 PRO 27 2HG PRO 27 1.711 -8.048 -5.603
167 HG3 PRO 27 3HG PRO 27 3.009 -9.216 -5.924
168 HD2 PRO 27 2HD PRO 27 2.600 -8.089 -3.481
169 HD3 PRO 27 3HD PRO 27 4.193 -8.615 -4.056
170 H GLY 28 H GLY 28 1.472 -5.969 -4.437
171 HA2 GLY 28 2HA GLY 28 -0.028 -4.166 -4.054
172 HA3 GLY 28 3HA GLY 28 0.618 -3.355 -5.472
173 H ASN 29 H ASN 29 0.377 -5.975 -7.006
174 HA ASN 29 HA ASN 29 -2.535 -5.817 -7.468
175 HB2 ASN 29 2HB ASN 29 -0.275 -6.346 -9.408
176 HB3 ASN 29 3HB ASN 29 -1.968 -6.608 -9.811
177 HD21 ASN 29 1HD2 ASN 29 -3.336 -4.840 -10.040
178 HD22 ASN 29 2HD2 ASN 29 -2.731 -3.235 -10.251
179 HA PRO 30 HA PRO 30 -4.402 -6.848 -7.253
180 HB2 PRO 30 2HB PRO 30 -5.692 -8.179 -5.254
181 HB3 PRO 30 3HB PRO 30 -5.755 -8.689 -6.951
182 HG2 PRO 30 2HG PRO 30 -4.091 -9.759 -4.724
183 HG3 PRO 30 3HG PRO 30 -4.959 -10.630 -6.005
184 HD2 PRO 30 2HD PRO 30 -2.293 -10.187 -6.105
185 HD3 PRO 30 3HD PRO 30 -3.306 -10.273 -7.559
186 H ASP 31 H ASP 31 -2.300 -7.874 -4.645
187 HA ASP 31 HA ASP 31 -2.400 -5.245 -3.446
188 HB2 ASP 31 2HB ASP 31 -2.785 -6.171 -1.127
189 HB3 ASP 31 3HB ASP 31 -4.199 -6.182 -2.171
190 H GLY 32 H GLY 32 -0.651 -4.799 -2.058
191 HA2 GLY 32 2HA GLY 32 1.442 -6.855 -1.874
192 HA3 GLY 32 3HA GLY 32 1.826 -5.314 -2.626
193 H THR 33 H THR 33 3.480 -5.395 -0.849
194 HA THR 33 HA THR 33 2.418 -4.617 1.763
195 HB THR 33 HB THR 33 5.039 -4.668 2.236
196 HG1 THR 33 HG1 THR 33 5.861 -6.526 0.994
197 HG21 THR 33 3HG2 THR 33 3.293 -7.120 2.037
198 HG22 THR 33 1HG2 THR 33 3.368 -6.003 3.400
199 HG23 THR 33 2HG2 THR 33 4.773 -6.989 2.988
200 H CYS 34 H CYS 34 2.612 -2.669 2.612
201 HA CYS 34 HA CYS 34 3.424 -0.491 0.908
202 HB2 CYS 34 2HB CYS 34 2.227 -0.619 3.675
203 HB3 CYS 34 3HB CYS 34 2.682 0.900 2.911
204 H TYR 35 H TYR 35 5.476 -0.090 0.680
205 HA TYR 35 HA TYR 35 7.252 -0.087 3.029
206 HB2 TYR 35 2HB TYR 35 7.781 -0.650 0.119
207 HB3 TYR 35 3HB TYR 35 9.084 -0.186 1.208
208 HD1 TYR 35 HD2 TYR 35 9.395 -1.621 3.329
209 HD2 TYR 35 HD1 TYR 35 7.133 -2.891 -0.048
210 HE1 TYR 35 HE2 TYR 35 9.622 -3.946 4.062
211 HE2 TYR 35 HE1 TYR 35 7.353 -5.225 0.684
212 HH TYR 35 HH TYR 35 8.854 -6.589 2.075
213 H TYR 36 H TYR 36 8.672 1.632 3.344
214 HA TYR 36 HA TYR 36 7.695 4.177 2.395
215 HB2 TYR 36 2HB TYR 36 9.467 3.242 4.527
216 HB3 TYR 36 3HB TYR 36 10.025 4.727 3.768
217 HD1 TYR 36 HD2 TYR 36 8.277 6.646 3.557
218 HD2 TYR 36 HD1 TYR 36 7.838 3.332 6.192
219 HE1 TYR 36 HE2 TYR 36 6.687 7.939 4.910
220 HE2 TYR 36 HE1 TYR 36 6.242 4.617 7.549
221 HH TYR 36 HH TYR 36 5.684 6.969 8.001
222 H LEU 37 H LEU 37 8.452 5.389 0.807
223 HA LEU 37 HA LEU 37 10.580 4.398 -0.865
224 HB2 LEU 37 2HB LEU 37 8.759 6.790 -1.116
225 HB3 LEU 37 3HB LEU 37 9.980 6.376 -2.301
226 HG LEU 37 HG LEU 37 7.925 4.326 -1.588
227 HD11 LEU 37 1HD1 LEU 37 6.613 6.335 -1.953
228 HD12 LEU 37 2HD1 LEU 37 6.432 5.228 -3.313
229 HD13 LEU 37 3HD1 LEU 37 7.472 6.645 -3.462
230 HD21 LEU 37 3HD2 LEU 37 8.240 3.695 -3.932
231 HD22 LEU 37 1HD2 LEU 37 9.775 3.720 -3.064
232 HD23 LEU 37 2HD2 LEU 37 9.354 5.045 -4.149
Start of MODEL 14
1 H1 PCA 1 H1 PCA 1 -10.276 3.532 3.896
2 HA PCA 1 HA PCA 1 -11.482 5.374 2.390
3 HB2 PCA 1 3HB PCA 1 -11.200 7.214 3.903
4 HB3 PCA 1 2HB PCA 1 -9.593 7.390 3.099
5 HG2 PCA 1 3HG PCA 1 -11.130 7.025 5.623
6 HG3 PCA 1 2HG PCA 1 -9.361 6.845 5.506
7 H GLY 2 H GLY 2 -8.828 3.518 2.996
8 HA2 GLY 2 2HA GLY 2 -7.425 2.671 1.277
9 HA3 GLY 2 3HA GLY 2 -7.586 4.199 0.425
10 H CYS 3 H CYS 3 -6.563 3.254 3.703
11 HA CYS 3 HA CYS 3 -3.961 4.528 3.226
12 HB2 CYS 3 2HB CYS 3 -5.786 5.912 4.586
13 HB3 CYS 3 3HB CYS 3 -5.235 4.889 5.907
14 H ALA 4 H ALA 4 -2.513 2.977 3.466
15 HA ALA 4 HA ALA 4 -2.865 1.016 5.637
16 HB1 ALA 4 3HB ALA 4 -2.911 0.281 3.130
17 HB2 ALA 4 1HB ALA 4 -2.037 -0.680 4.324
18 HB3 ALA 4 2HB ALA 4 -1.157 0.421 3.267
19 H PHE 5 H PHE 5 -1.046 0.431 6.854
20 HA PHE 5 HA PHE 5 1.049 2.462 6.957
21 HB2 PHE 5 2HB PHE 5 0.242 0.246 8.850
22 HB3 PHE 5 3HB PHE 5 1.653 1.263 9.114
23 HD1 PHE 5 HD2 PHE 5 1.414 3.588 9.740
24 HD2 PHE 5 HD1 PHE 5 -1.996 1.124 9.103
25 HE1 PHE 5 HE2 PHE 5 -0.001 5.264 10.855
26 HE2 PHE 5 HE1 PHE 5 -3.417 2.795 10.216
27 HZ PHE 5 HZ PHE 5 -2.420 4.868 11.095
28 H GLU 6 H GLU 6 3.318 1.572 7.621
29 HA GLU 6 HA GLU 6 4.339 0.057 5.459
30 HB2 GLU 6 2HB GLU 6 5.552 1.803 6.884
31 HB3 GLU 6 3HB GLU 6 5.797 0.523 8.059
32 HG2 GLU 6 2HG GLU 6 6.930 -0.785 6.231
33 HG3 GLU 6 3HG GLU 6 6.854 0.675 5.246
34 H GLY 7 H GLY 7 4.925 -2.017 5.248
35 HA2 GLY 7 2HA GLY 7 5.317 -4.247 5.818
36 HA3 GLY 7 3HA GLY 7 4.951 -3.860 7.491
37 H GLU 8 H GLU 8 2.444 -2.568 5.910
38 HA GLU 8 HA GLU 8 0.732 -4.884 6.395
39 HB2 GLU 8 2HB GLU 8 0.345 -2.429 7.232
40 HB3 GLU 8 3HB GLU 8 -0.274 -2.165 5.609
41 HG2 GLU 8 2HG GLU 8 -1.949 -3.889 5.940
42 HG3 GLU 8 3HG GLU 8 -1.306 -4.227 7.547
43 H SER 9 H SER 9 -0.940 -5.468 4.863
44 HA SER 9 HA SER 9 0.012 -5.277 2.103
45 HB2 SER 9 2HB SER 9 -0.414 -7.524 3.133
46 HB3 SER 9 3HB SER 9 -2.123 -7.105 3.229
47 HG SER 9 HG SER 9 -2.321 -7.424 1.148
48 H CYS 10 H CYS 10 -0.840 -3.782 0.847
49 HA CYS 10 HA CYS 10 -3.675 -3.061 1.199
50 HB2 CYS 10 2HB CYS 10 -3.230 -0.821 0.823
51 HB3 CYS 10 3HB CYS 10 -1.787 -1.311 1.696
52 H ASN 11 H ASN 11 -4.862 -2.537 -0.705
53 HA ASN 11 HA ASN 11 -3.926 -3.976 -3.078
54 HB2 ASN 11 2HB ASN 11 -6.723 -3.014 -2.484
55 HB3 ASN 11 3HB ASN 11 -6.236 -4.117 -3.761
56 HD21 ASN 11 1HD2 ASN 11 -6.455 -3.736 -0.278
57 HD22 ASN 11 2HD2 ASN 11 -6.615 -5.419 0.086
58 H VAL 12 H VAL 12 -3.719 -2.986 -5.040
59 HA VAL 12 HA VAL 12 -3.754 -0.070 -4.967
60 HB VAL 12 HB VAL 12 -2.478 -0.116 -7.059
61 HG11 VAL 12 1HG1 VAL 12 -0.417 -1.171 -6.188
62 HG12 VAL 12 2HG1 VAL 12 -1.374 -1.916 -4.905
63 HG13 VAL 12 3HG1 VAL 12 -1.234 -0.158 -4.995
64 HG21 VAL 12 3HG2 VAL 12 -2.368 -3.118 -6.870
65 HG22 VAL 12 1HG2 VAL 12 -1.806 -2.082 -8.183
66 HG23 VAL 12 2HG2 VAL 12 -3.537 -2.276 -7.888
67 H GLU 13 H GLU 13 -6.180 -1.840 -5.229
68 HA GLU 13 HA GLU 13 -7.223 -0.858 -7.801
69 HB2 GLU 13 2HB GLU 13 -8.110 -3.206 -6.118
70 HB3 GLU 13 3HB GLU 13 -8.872 -2.699 -7.616
71 HG2 GLU 13 2HG GLU 13 -5.971 -3.459 -7.540
72 HG3 GLU 13 3HG GLU 13 -7.238 -4.684 -7.642
73 H PHE 14 H PHE 14 -7.735 -0.974 -4.333
74 HA PHE 14 HA PHE 14 -9.818 1.052 -4.539
75 HB2 PHE 14 2HB PHE 14 -11.224 -0.330 -2.837
76 HB3 PHE 14 3HB PHE 14 -11.295 -0.756 -4.541
77 HD1 PHE 14 HD2 PHE 14 -10.235 -2.775 -5.373
78 HD2 PHE 14 HD1 PHE 14 -10.202 -1.804 -1.237
79 HE1 PHE 14 HE2 PHE 14 -9.506 -5.063 -4.849
80 HE2 PHE 14 HE1 PHE 14 -9.462 -4.087 -0.701
81 HZ PHE 14 HZ PHE 14 -9.103 -5.706 -2.514
82 H TYR 15 H TYR 15 -7.919 -0.994 -2.318
83 HA TYR 15 HA TYR 15 -7.820 1.268 -0.429
84 HB2 TYR 15 2HB TYR 15 -8.952 -0.939 0.293
85 HB3 TYR 15 3HB TYR 15 -7.326 -1.597 0.351
86 HD1 TYR 15 HD1 TYR 15 -5.673 -0.657 2.006
87 HD2 TYR 15 HD2 TYR 15 -9.780 0.474 2.015
88 HE1 TYR 15 HE1 TYR 15 -5.424 0.211 4.289
89 HE2 TYR 15 HE2 TYR 15 -9.537 1.349 4.299
90 HH TYR 15 HH TYR 15 -8.070 1.032 6.246
91 HA PRO 16 HA PRO 16 -3.439 0.581 -1.971
92 HB2 PRO 16 2HB PRO 16 -2.866 3.194 -2.474
93 HB3 PRO 16 3HB PRO 16 -3.700 2.162 -3.651
94 HG2 PRO 16 2HG PRO 16 -4.846 4.174 -1.770
95 HG3 PRO 16 3HG PRO 16 -5.235 3.878 -3.477
96 HD2 PRO 16 2HD PRO 16 -6.763 2.934 -1.448
97 HD3 PRO 16 3HD PRO 16 -6.594 2.095 -3.000
98 H CYS 17 H CYS 17 -1.425 2.156 -1.251
99 HA CYS 17 HA CYS 17 -1.271 1.911 1.578
100 HB2 CYS 17 2HB CYS 17 0.578 3.178 -0.450
101 HB3 CYS 17 3HB CYS 17 0.958 3.061 1.261
102 H CYS 18 H CYS 18 -0.084 4.019 2.701
103 HA CYS 18 HA CYS 18 -2.172 6.015 2.790
104 HB2 CYS 18 2HB CYS 18 0.209 5.376 4.486
105 HB3 CYS 18 3HB CYS 18 -0.555 6.955 4.626
106 HA PRO 19 HA PRO 19 0.201 8.680 0.026
107 HB2 PRO 19 2HB PRO 19 -1.701 10.574 -0.337
108 HB3 PRO 19 3HB PRO 19 -1.776 8.989 -1.127
109 HG2 PRO 19 2HG PRO 19 -3.286 9.999 1.218
110 HG3 PRO 19 3HG PRO 19 -3.803 8.903 -0.077
111 HD2 PRO 19 2HD PRO 19 -3.025 8.107 2.462
112 HD3 PRO 19 3HD PRO 19 -3.062 7.063 1.029
113 H GLY 20 H GLY 20 1.139 10.782 0.057
114 HA2 GLY 20 2HA GLY 20 1.662 12.876 1.006
115 HA3 GLY 20 3HA GLY 20 0.741 12.436 2.435
116 H LEU 21 H LEU 21 2.066 9.843 2.734
117 HA LEU 21 HA LEU 21 4.406 10.744 4.173
118 HB2 LEU 21 2HB LEU 21 3.378 7.922 3.910
119 HB3 LEU 21 3HB LEU 21 4.454 8.541 5.139
120 HG LEU 21 HG LEU 21 1.591 9.457 4.864
121 HD11 LEU 21 1HD1 LEU 21 1.019 7.898 6.624
122 HD12 LEU 21 2HD1 LEU 21 2.675 7.293 6.660
123 HD13 LEU 21 3HD1 LEU 21 1.671 7.033 5.234
124 HD21 LEU 21 3HD2 LEU 21 3.565 9.610 7.148
125 HD22 LEU 21 1HD2 LEU 21 1.886 10.150 7.202
126 HD23 LEU 21 2HD2 LEU 21 3.037 10.955 6.136
127 H GLY 22 H GLY 22 3.826 8.095 1.827
128 HA2 GLY 22 2HA GLY 22 5.348 8.297 -0.209
129 HA3 GLY 22 3HA GLY 22 6.639 8.344 0.978
130 H LEU 23 H LEU 23 3.758 6.289 1.148
131 HA LEU 23 HA LEU 23 5.480 3.940 1.290
132 HB2 LEU 23 2HB LEU 23 2.567 4.442 1.860
133 HB3 LEU 23 3HB LEU 23 3.157 2.810 1.664
134 HG LEU 23 HG LEU 23 2.926 3.396 4.016
135 HD11 LEU 23 1HD1 LEU 23 5.866 3.220 3.463
136 HD12 LEU 23 2HD1 LEU 23 4.768 1.867 3.204
137 HD13 LEU 23 3HD1 LEU 23 4.954 2.555 4.816
138 HD21 LEU 23 3HD2 LEU 23 3.226 5.715 4.105
139 HD22 LEU 23 1HD2 LEU 23 4.822 5.624 3.361
140 HD23 LEU 23 2HD2 LEU 23 4.578 5.029 5.004
141 H THR 24 H THR 24 5.078 2.031 0.074
142 HA THR 24 HA THR 24 3.526 2.277 -2.387
143 HB THR 24 HB THR 24 5.728 3.010 -3.103
144 HG1 THR 24 HG1 THR 24 4.505 1.517 -4.454
145 HG21 THR 24 3HG2 THR 24 6.756 0.450 -1.868
146 HG22 THR 24 1HG2 THR 24 7.198 2.104 -1.440
147 HG23 THR 24 2HG2 THR 24 7.688 1.437 -2.997
148 H CYS 25 H CYS 25 2.430 0.448 -2.828
149 HA CYS 25 HA CYS 25 2.832 -1.864 -1.121
150 HB2 CYS 25 2HB CYS 25 0.641 -0.729 -2.599
151 HB3 CYS 25 3HB CYS 25 0.837 -2.422 -3.032
152 H ILE 26 H ILE 26 3.974 -3.591 -1.637
153 HA ILE 26 HA ILE 26 4.559 -4.122 -4.475
154 HB ILE 26 HB ILE 26 6.457 -4.600 -2.168
155 HG12 ILE 26 2HG1 ILE 26 6.189 -2.187 -2.547
156 HG13 ILE 26 3HG1 ILE 26 7.794 -2.720 -3.008
157 HG21 ILE 26 1HG2 ILE 26 7.081 -4.733 -5.111
158 HG22 ILE 26 2HG2 ILE 26 6.676 -6.138 -4.126
159 HG23 ILE 26 3HG2 ILE 26 8.121 -5.192 -3.760
160 HD11 ILE 26 3HD1 ILE 26 5.517 -2.046 -4.872
161 HD12 ILE 26 1HD1 ILE 26 7.090 -2.663 -5.382
162 HD13 ILE 26 2HD1 ILE 26 6.973 -1.091 -4.589
163 HA PRO 27 HA PRO 27 4.612 -5.524 -5.989
164 HB2 PRO 27 2HB PRO 27 2.780 -6.971 -7.351
165 HB3 PRO 27 3HB PRO 27 4.363 -7.619 -6.889
166 HG2 PRO 27 2HG PRO 27 1.713 -8.050 -5.603
167 HG3 PRO 27 3HG PRO 27 3.011 -9.217 -5.925
168 HD2 PRO 27 2HD PRO 27 2.605 -8.089 -3.483
169 HD3 PRO 27 3HD PRO 27 4.197 -8.615 -4.059
170 H GLY 28 H GLY 28 1.474 -5.971 -4.441
171 HA2 GLY 28 2HA GLY 28 -0.026 -4.167 -4.055
172 HA3 GLY 28 3HA GLY 28 0.617 -3.358 -5.475
173 H ASN 29 H ASN 29 0.373 -5.980 -7.006
174 HA ASN 29 HA ASN 29 -2.540 -5.823 -7.462
175 HB2 ASN 29 2HB ASN 29 -0.283 -6.354 -9.405
176 HB3 ASN 29 3HB ASN 29 -1.977 -6.616 -9.804
177 HD21 ASN 29 1HD2 ASN 29 0.483 -4.262 -9.130
178 HD22 ASN 29 2HD2 ASN 29 -0.394 -2.885 -9.693
179 HA PRO 30 HA PRO 30 -4.405 -6.856 -7.242
180 HB2 PRO 30 2HB PRO 30 -5.691 -8.185 -5.241
181 HB3 PRO 30 3HB PRO 30 -5.756 -8.696 -6.938
182 HG2 PRO 30 2HG PRO 30 -4.089 -9.764 -4.711
183 HG3 PRO 30 3HG PRO 30 -4.959 -10.636 -5.990
184 HD2 PRO 30 2HD PRO 30 -2.293 -10.192 -6.093
185 HD3 PRO 30 3HD PRO 30 -3.307 -10.280 -7.546
186 H ASP 31 H ASP 31 -2.297 -7.878 -4.638
187 HA ASP 31 HA ASP 31 -2.397 -5.246 -3.441
188 HB2 ASP 31 2HB ASP 31 -2.777 -6.171 -1.121
189 HB3 ASP 31 3HB ASP 31 -4.193 -6.183 -2.162
190 H GLY 32 H GLY 32 -0.646 -4.798 -2.055
191 HA2 GLY 32 2HA GLY 32 1.450 -6.853 -1.874
192 HA3 GLY 32 3HA GLY 32 1.830 -5.310 -2.626
193 H THR 33 H THR 33 3.487 -5.395 -0.851
194 HA THR 33 HA THR 33 2.428 -4.618 1.763
195 HB THR 33 HB THR 33 5.049 -4.667 2.232
196 HG1 THR 33 HG1 THR 33 5.499 -5.220 0.001
197 HG21 THR 33 3HG2 THR 33 3.307 -7.122 2.033
198 HG22 THR 33 1HG2 THR 33 3.380 -6.006 3.396
199 HG23 THR 33 2HG2 THR 33 4.785 -6.988 2.983
200 H CYS 34 H CYS 34 2.626 -2.670 2.616
201 HA CYS 34 HA CYS 34 3.431 -0.491 0.909
202 HB2 CYS 34 2HB CYS 34 2.241 -0.621 3.679
203 HB3 CYS 34 3HB CYS 34 2.698 0.898 2.919
204 H TYR 35 H TYR 35 5.481 -0.088 0.676
205 HA TYR 35 HA TYR 35 7.265 -0.087 3.018
206 HB2 TYR 35 2HB TYR 35 7.784 -0.647 0.105
207 HB3 TYR 35 3HB TYR 35 9.090 -0.181 1.188
208 HD1 TYR 35 HD2 TYR 35 9.416 -1.616 3.306
209 HD2 TYR 35 HD1 TYR 35 7.135 -2.890 -0.058
210 HE1 TYR 35 HE2 TYR 35 9.649 -3.941 4.038
211 HE2 TYR 35 HE1 TYR 35 7.361 -5.222 0.673
212 HH TYR 35 HH TYR 35 8.486 -6.093 3.754
213 H TYR 36 H TYR 36 8.676 1.636 3.338
214 HA TYR 36 HA TYR 36 7.697 4.180 2.391
215 HB2 TYR 36 2HB TYR 36 9.472 3.244 4.520
216 HB3 TYR 36 3HB TYR 36 10.028 4.731 3.762
217 HD1 TYR 36 HD2 TYR 36 8.281 6.649 3.557
218 HD2 TYR 36 HD1 TYR 36 7.842 3.330 6.184
219 HE1 TYR 36 HE2 TYR 36 6.690 7.938 4.912
220 HE2 TYR 36 HE1 TYR 36 6.246 4.612 7.544
221 HH TYR 36 HH TYR 36 5.686 6.963 8.001
222 H LEU 37 H LEU 37 8.451 5.394 0.802
223 HA LEU 37 HA LEU 37 10.580 4.407 -0.872
224 HB2 LEU 37 2HB LEU 37 8.754 6.796 -1.120
225 HB3 LEU 37 3HB LEU 37 9.976 6.386 -2.307
226 HG LEU 37 HG LEU 37 7.924 4.332 -1.593
227 HD11 LEU 37 1HD1 LEU 37 7.466 6.651 -3.464
228 HD12 LEU 37 2HD1 LEU 37 6.609 6.339 -1.955
229 HD13 LEU 37 3HD1 LEU 37 6.429 5.233 -3.316
230 HD21 LEU 37 3HD2 LEU 37 8.239 3.703 -3.938
231 HD22 LEU 37 1HD2 LEU 37 9.775 3.730 -3.072
232 HD23 LEU 37 2HD2 LEU 37 9.350 5.055 -4.155
Start of MODEL 15
1 H1 PCA 1 H1 PCA 1 -9.968 7.316 3.342
2 HA PCA 1 HA PCA 1 -10.424 4.741 3.855
3 HB2 PCA 1 3HB PCA 1 -12.606 4.629 2.858
4 HB3 PCA 1 2HB PCA 1 -11.687 4.322 1.333
5 HG2 PCA 1 3HG PCA 1 -13.687 5.981 2.789
6 HG3 PCA 1 2HG PCA 1 -12.982 6.431 1.214
7 H GLY 2 H GLY 2 -8.813 3.487 3.019
8 HA2 GLY 2 2HA GLY 2 -7.409 2.667 1.284
9 HA3 GLY 2 3HA GLY 2 -7.591 4.201 0.445
10 H CYS 3 H CYS 3 -6.528 3.201 3.696
11 HA CYS 3 HA CYS 3 -3.947 4.516 3.231
12 HB2 CYS 3 2HB CYS 3 -5.779 5.884 4.599
13 HB3 CYS 3 3HB CYS 3 -5.217 4.862 5.915
14 H ALA 4 H ALA 4 -2.492 2.967 3.462
15 HA ALA 4 HA ALA 4 -2.838 0.992 5.622
16 HB1 ALA 4 3HB ALA 4 -1.089 0.432 3.274
17 HB2 ALA 4 1HB ALA 4 -2.839 0.285 3.101
18 HB3 ALA 4 2HB ALA 4 -1.985 -0.684 4.302
19 H PHE 5 H PHE 5 -1.019 0.398 6.839
20 HA PHE 5 HA PHE 5 1.063 2.445 6.977
21 HB2 PHE 5 2HB PHE 5 -0.368 1.445 8.961
22 HB3 PHE 5 3HB PHE 5 0.848 0.175 8.923
23 HD1 PHE 5 HD2 PHE 5 0.275 3.766 9.496
24 HD2 PHE 5 HD1 PHE 5 3.053 0.550 9.740
25 HE1 PHE 5 HE2 PHE 5 1.765 5.161 10.872
26 HE2 PHE 5 HE1 PHE 5 4.545 1.938 11.118
27 HZ PHE 5 HZ PHE 5 3.902 4.247 11.684
28 H GLU 6 H GLU 6 3.333 1.600 7.592
29 HA GLU 6 HA GLU 6 4.361 0.055 5.470
30 HB2 GLU 6 2HB GLU 6 5.569 1.801 6.896
31 HB3 GLU 6 3HB GLU 6 5.800 0.526 8.079
32 HG2 GLU 6 2HG GLU 6 6.944 -0.796 6.268
33 HG3 GLU 6 3HG GLU 6 6.881 0.659 5.274
34 H GLY 7 H GLY 7 4.929 -2.021 5.262
35 HA2 GLY 7 2HA GLY 7 5.314 -4.251 5.834
36 HA3 GLY 7 3HA GLY 7 4.946 -3.861 7.505
37 H GLU 8 H GLU 8 2.446 -2.560 5.922
38 HA GLU 8 HA GLU 8 0.726 -4.871 6.402
39 HB2 GLU 8 2HB GLU 8 0.346 -2.413 7.236
40 HB3 GLU 8 3HB GLU 8 -0.273 -2.152 5.613
41 HG2 GLU 8 2HG GLU 8 -1.950 -3.874 5.951
42 HG3 GLU 8 3HG GLU 8 -1.307 -4.206 7.559
43 H SER 9 H SER 9 -0.940 -5.456 4.866
44 HA SER 9 HA SER 9 0.016 -5.260 2.109
45 HB2 SER 9 2HB SER 9 -0.407 -7.510 3.138
46 HB3 SER 9 3HB SER 9 -2.118 -7.095 3.228
47 HG SER 9 HG SER 9 -2.283 -7.631 1.214
48 H CYS 10 H CYS 10 -0.844 -3.779 0.842
49 HA CYS 10 HA CYS 10 -3.680 -3.062 1.196
50 HB2 CYS 10 2HB CYS 10 -3.242 -0.820 0.814
51 HB3 CYS 10 3HB CYS 10 -1.800 -1.304 1.695
52 H ASN 11 H ASN 11 -4.865 -2.532 -0.711
53 HA ASN 11 HA ASN 11 -3.927 -3.972 -3.082
54 HB2 ASN 11 2HB ASN 11 -6.725 -3.010 -2.492
55 HB3 ASN 11 3HB ASN 11 -6.236 -4.114 -3.768
56 HD21 ASN 11 1HD2 ASN 11 -6.457 -3.733 -0.285
57 HD22 ASN 11 2HD2 ASN 11 -6.618 -5.416 0.078
58 H VAL 12 H VAL 12 -3.719 -2.983 -5.045
59 HA VAL 12 HA VAL 12 -3.753 -0.066 -4.971
60 HB VAL 12 HB VAL 12 -2.476 -0.112 -7.063
61 HG11 VAL 12 1HG1 VAL 12 -1.232 -0.156 -4.999
62 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.169 -6.192
63 HG13 VAL 12 3HG1 VAL 12 -1.375 -1.912 -4.910
64 HG21 VAL 12 3HG2 VAL 12 -2.372 -3.113 -6.875
65 HG22 VAL 12 1HG2 VAL 12 -1.804 -2.077 -8.186
66 HG23 VAL 12 2HG2 VAL 12 -3.536 -2.269 -7.895
67 H GLU 13 H GLU 13 -6.178 -1.836 -5.234
68 HA GLU 13 HA GLU 13 -7.222 -0.854 -7.806
69 HB2 GLU 13 2HB GLU 13 -8.110 -3.200 -6.122
70 HB3 GLU 13 3HB GLU 13 -8.873 -2.693 -7.619
71 HG2 GLU 13 2HG GLU 13 -5.973 -3.456 -7.545
72 HG3 GLU 13 3HG GLU 13 -7.239 -4.679 -7.647
73 H PHE 14 H PHE 14 -7.734 -0.967 -4.338
74 HA PHE 14 HA PHE 14 -9.814 1.059 -4.545
75 HB2 PHE 14 2HB PHE 14 -11.224 -0.321 -2.843
76 HB3 PHE 14 3HB PHE 14 -11.294 -0.747 -4.549
77 HD1 PHE 14 HD2 PHE 14 -10.235 -2.767 -5.380
78 HD2 PHE 14 HD1 PHE 14 -10.203 -1.796 -1.244
79 HE1 PHE 14 HE2 PHE 14 -9.508 -5.056 -4.855
80 HE2 PHE 14 HE1 PHE 14 -9.466 -4.079 -0.707
81 HZ PHE 14 HZ PHE 14 -9.107 -5.699 -2.520
82 H TYR 15 H TYR 15 -7.920 -0.989 -2.324
83 HA TYR 15 HA TYR 15 -7.819 1.273 -0.434
84 HB2 TYR 15 2HB TYR 15 -8.953 -0.932 0.287
85 HB3 TYR 15 3HB TYR 15 -7.328 -1.591 0.346
86 HD1 TYR 15 HD2 TYR 15 -5.672 -0.647 1.998
87 HD2 TYR 15 HD1 TYR 15 -9.781 0.478 2.012
88 HE1 TYR 15 HE2 TYR 15 -5.421 0.222 4.280
89 HE2 TYR 15 HE1 TYR 15 -9.536 1.352 4.297
90 HH TYR 15 HH TYR 15 -6.518 1.846 5.764
91 HA PRO 16 HA PRO 16 -3.438 0.583 -1.974
92 HB2 PRO 16 2HB PRO 16 -2.862 3.196 -2.475
93 HB3 PRO 16 3HB PRO 16 -3.696 2.165 -3.654
94 HG2 PRO 16 2HG PRO 16 -4.841 4.177 -1.773
95 HG3 PRO 16 3HG PRO 16 -5.229 3.882 -3.480
96 HD2 PRO 16 2HD PRO 16 -6.761 2.938 -1.453
97 HD3 PRO 16 3HD PRO 16 -6.590 2.100 -3.005
98 H CYS 17 H CYS 17 -1.422 2.154 -1.251
99 HA CYS 17 HA CYS 17 -1.273 1.910 1.578
100 HB2 CYS 17 2HB CYS 17 0.582 3.173 -0.447
101 HB3 CYS 17 3HB CYS 17 0.958 3.056 1.264
102 H CYS 18 H CYS 18 -0.085 4.016 2.703
103 HA CYS 18 HA CYS 18 -2.171 6.013 2.790
104 HB2 CYS 18 2HB CYS 18 0.218 5.384 4.480
105 HB3 CYS 18 3HB CYS 18 -0.556 6.960 4.621
106 HA PRO 19 HA PRO 19 0.190 8.671 0.010
107 HB2 PRO 19 2HB PRO 19 -1.719 10.558 -0.361
108 HB3 PRO 19 3HB PRO 19 -1.789 8.968 -1.141
109 HG2 PRO 19 2HG PRO 19 -3.300 9.984 1.199
110 HG3 PRO 19 3HG PRO 19 -3.815 8.881 -0.090
111 HD2 PRO 19 2HD PRO 19 -3.031 8.100 2.453
112 HD3 PRO 19 3HD PRO 19 -3.066 7.049 1.024
113 H GLY 20 H GLY 20 1.133 10.768 0.036
114 HA2 GLY 20 2HA GLY 20 1.646 12.870 0.971
115 HA3 GLY 20 3HA GLY 20 0.726 12.437 2.403
116 H LEU 21 H LEU 21 2.057 9.847 2.715
117 HA LEU 21 HA LEU 21 4.392 10.763 4.152
118 HB2 LEU 21 2HB LEU 21 3.374 7.937 3.904
119 HB3 LEU 21 3HB LEU 21 4.446 8.566 5.130
120 HG LEU 21 HG LEU 21 1.580 9.473 4.848
121 HD11 LEU 21 1HD1 LEU 21 2.665 7.324 6.661
122 HD12 LEU 21 2HD1 LEU 21 1.672 7.049 5.231
123 HD13 LEU 21 3HD1 LEU 21 1.007 7.921 6.611
124 HD21 LEU 21 3HD2 LEU 21 3.023 10.982 6.112
125 HD22 LEU 21 1HD2 LEU 21 3.551 9.645 7.133
126 HD23 LEU 21 2HD2 LEU 21 1.871 10.180 7.181
127 H GLY 22 H GLY 22 3.830 8.087 1.831
128 HA2 GLY 22 2HA GLY 22 5.359 8.293 -0.206
129 HA3 GLY 22 3HA GLY 22 6.644 8.338 0.988
130 H LEU 23 H LEU 23 3.759 6.289 1.153
131 HA LEU 23 HA LEU 23 5.479 3.937 1.295
132 HB2 LEU 23 2HB LEU 23 2.565 4.440 1.868
133 HB3 LEU 23 3HB LEU 23 3.158 2.808 1.677
134 HG LEU 23 HG LEU 23 2.926 3.407 4.029
135 HD11 LEU 23 1HD1 LEU 23 5.865 3.218 3.465
136 HD12 LEU 23 2HD1 LEU 23 4.759 1.867 3.230
137 HD13 LEU 23 3HD1 LEU 23 4.959 2.573 4.833
138 HD21 LEU 23 3HD2 LEU 23 4.827 5.628 3.362
139 HD22 LEU 23 1HD2 LEU 23 4.581 5.041 5.008
140 HD23 LEU 23 2HD2 LEU 23 3.231 5.726 4.106
141 H THR 24 H THR 24 5.077 2.031 0.079
142 HA THR 24 HA THR 24 3.517 2.278 -2.379
143 HB THR 24 HB THR 24 5.720 3.009 -3.098
144 HG1 THR 24 HG1 THR 24 6.155 0.833 -4.393
145 HG21 THR 24 3HG2 THR 24 7.192 2.098 -1.438
146 HG22 THR 24 1HG2 THR 24 7.677 1.434 -2.999
147 HG23 THR 24 2HG2 THR 24 6.748 0.447 -1.868
148 H CYS 25 H CYS 25 2.424 0.448 -2.826
149 HA CYS 25 HA CYS 25 2.824 -1.864 -1.119
150 HB2 CYS 25 2HB CYS 25 0.636 -0.729 -2.599
151 HB3 CYS 25 3HB CYS 25 0.831 -2.421 -3.031
152 H ILE 26 H ILE 26 3.969 -3.590 -1.635
153 HA ILE 26 HA ILE 26 4.557 -4.119 -4.472
154 HB ILE 26 HB ILE 26 6.453 -4.599 -2.165
155 HG12 ILE 26 2HG1 ILE 26 6.185 -2.186 -2.538
156 HG13 ILE 26 3HG1 ILE 26 7.789 -2.716 -3.001
157 HG21 ILE 26 1HG2 ILE 26 8.118 -5.186 -3.758
158 HG22 ILE 26 2HG2 ILE 26 7.080 -4.724 -5.107
159 HG23 ILE 26 3HG2 ILE 26 6.675 -6.133 -4.127
160 HD11 ILE 26 3HD1 ILE 26 6.966 -1.083 -4.576
161 HD12 ILE 26 1HD1 ILE 26 5.512 -2.043 -4.863
162 HD13 ILE 26 2HD1 ILE 26 7.085 -2.653 -5.375
163 HA PRO 27 HA PRO 27 4.612 -5.520 -5.988
164 HB2 PRO 27 2HB PRO 27 2.782 -6.966 -7.352
165 HB3 PRO 27 3HB PRO 27 4.365 -7.614 -6.890
166 HG2 PRO 27 2HG PRO 27 1.712 -8.046 -5.607
167 HG3 PRO 27 3HG PRO 27 3.011 -9.214 -5.930
168 HD2 PRO 27 2HD PRO 27 2.603 -8.088 -3.486
169 HD3 PRO 27 3HD PRO 27 4.197 -8.613 -4.061
170 H GLY 28 H GLY 28 1.472 -5.968 -4.443
171 HA2 GLY 28 2HA GLY 28 -0.029 -4.166 -4.056
172 HA3 GLY 28 3HA GLY 28 0.616 -3.355 -5.475
173 H ASN 29 H ASN 29 0.374 -5.977 -7.009
174 HA ASN 29 HA ASN 29 -2.538 -5.818 -7.468
175 HB2 ASN 29 2HB ASN 29 -0.279 -6.349 -9.410
176 HB3 ASN 29 3HB ASN 29 -1.972 -6.610 -9.812
177 HD21 ASN 29 1HD2 ASN 29 -3.340 -4.842 -10.042
178 HD22 ASN 29 2HD2 ASN 29 -2.736 -3.238 -10.253
179 HA PRO 30 HA PRO 30 -4.404 -6.849 -7.252
180 HB2 PRO 30 2HB PRO 30 -5.693 -8.178 -5.252
181 HB3 PRO 30 3HB PRO 30 -5.757 -8.689 -6.949
182 HG2 PRO 30 2HG PRO 30 -4.093 -9.759 -4.722
183 HG3 PRO 30 3HG PRO 30 -4.961 -10.629 -6.001
184 HD2 PRO 30 2HD PRO 30 -2.295 -10.187 -6.103
185 HD3 PRO 30 3HD PRO 30 -3.308 -10.275 -7.555
186 H ASP 31 H ASP 31 -2.300 -7.874 -4.645
187 HA ASP 31 HA ASP 31 -2.401 -5.244 -3.445
188 HB2 ASP 31 2HB ASP 31 -2.783 -6.171 -1.127
189 HB3 ASP 31 3HB ASP 31 -4.198 -6.184 -2.169
190 H GLY 32 H GLY 32 -0.651 -4.798 -2.059
191 HA2 GLY 32 2HA GLY 32 1.446 -6.851 -1.879
192 HA3 GLY 32 3HA GLY 32 1.826 -5.308 -2.630
193 H THR 33 H THR 33 3.481 -5.395 -0.851
194 HA THR 33 HA THR 33 2.421 -4.620 1.762
195 HB THR 33 HB THR 33 5.040 -4.673 2.235
196 HG1 THR 33 HG1 THR 33 5.336 -6.855 0.762
197 HG21 THR 33 3HG2 THR 33 4.774 -6.995 2.979
198 HG22 THR 33 1HG2 THR 33 3.297 -7.126 2.025
199 HG23 THR 33 2HG2 THR 33 3.368 -6.014 3.393
200 H CYS 34 H CYS 34 2.620 -2.675 2.618
201 HA CYS 34 HA CYS 34 3.426 -0.493 0.916
202 HB2 CYS 34 2HB CYS 34 2.235 -0.628 3.684
203 HB3 CYS 34 3HB CYS 34 2.693 0.893 2.926
204 H TYR 35 H TYR 35 5.476 -0.087 0.685
205 HA TYR 35 HA TYR 35 7.258 -0.090 3.029
206 HB2 TYR 35 2HB TYR 35 7.782 -0.647 0.117
207 HB3 TYR 35 3HB TYR 35 9.087 -0.186 1.203
208 HD1 TYR 35 HD2 TYR 35 9.406 -1.624 3.319
209 HD2 TYR 35 HD1 TYR 35 7.133 -2.889 -0.053
210 HE1 TYR 35 HE2 TYR 35 9.637 -3.951 4.048
211 HE2 TYR 35 HE1 TYR 35 7.356 -5.224 0.674
212 HH TYR 35 HH TYR 35 8.864 -6.590 2.057
213 H TYR 36 H TYR 36 8.685 1.629 3.338
214 HA TYR 36 HA TYR 36 7.703 4.174 2.396
215 HB2 TYR 36 2HB TYR 36 9.487 3.237 4.520
216 HB3 TYR 36 3HB TYR 36 10.031 4.730 3.764
217 HD1 TYR 36 HD1 TYR 36 8.271 6.637 3.568
218 HD2 TYR 36 HD2 TYR 36 7.867 3.312 6.194
219 HE1 TYR 36 HE1 TYR 36 6.678 7.915 4.932
220 HE2 TYR 36 HE2 TYR 36 6.268 4.582 7.563
221 HH TYR 36 HH TYR 36 4.852 7.482 6.523
222 H LEU 37 H LEU 37 8.454 5.386 0.808
223 HA LEU 37 HA LEU 37 10.577 4.398 -0.872
224 HB2 LEU 37 2HB LEU 37 8.756 6.790 -1.115
225 HB3 LEU 37 3HB LEU 37 9.973 6.379 -2.304
226 HG LEU 37 HG LEU 37 7.920 4.327 -1.587
227 HD11 LEU 37 1HD1 LEU 37 7.460 6.649 -3.455
228 HD12 LEU 37 2HD1 LEU 37 6.607 6.338 -1.943
229 HD13 LEU 37 3HD1 LEU 37 6.420 5.233 -3.305
230 HD21 LEU 37 3HD2 LEU 37 9.766 3.724 -3.071
231 HD22 LEU 37 1HD2 LEU 37 9.339 5.052 -4.152
232 HD23 LEU 37 2HD2 LEU 37 8.227 3.701 -3.933
Start of MODEL 16
1 H1 PCA 1 H1 PCA 1 -10.642 6.808 3.998
2 HA PCA 1 HA PCA 1 -10.442 4.437 3.912
3 HB2 PCA 1 3HB PCA 1 -12.623 3.953 3.033
4 HB3 PCA 1 2HB PCA 1 -11.738 3.712 1.478
5 HG2 PCA 1 3HG PCA 1 -13.898 5.124 2.965
6 HG3 PCA 1 2HG PCA 1 -13.343 5.595 1.338
7 H GLY 2 H GLY 2 -8.665 3.442 3.083
8 HA2 GLY 2 2HA GLY 2 -7.350 2.745 1.158
9 HA3 GLY 2 3HA GLY 2 -7.618 4.340 0.472
10 H CYS 3 H CYS 3 -6.506 3.186 3.657
11 HA CYS 3 HA CYS 3 -3.935 4.528 3.236
12 HB2 CYS 3 2HB CYS 3 -5.777 5.889 4.598
13 HB3 CYS 3 3HB CYS 3 -5.221 4.860 5.913
14 H ALA 4 H ALA 4 -2.488 2.970 3.460
15 HA ALA 4 HA ALA 4 -2.844 0.986 5.611
16 HB1 ALA 4 3HB ALA 4 -1.066 0.439 3.283
17 HB2 ALA 4 1HB ALA 4 -2.813 0.294 3.083
18 HB3 ALA 4 2HB ALA 4 -1.978 -0.681 4.292
19 H PHE 5 H PHE 5 -1.020 0.370 6.822
20 HA PHE 5 HA PHE 5 1.051 2.428 7.000
21 HB2 PHE 5 2HB PHE 5 -0.382 1.429 8.970
22 HB3 PHE 5 3HB PHE 5 0.802 0.130 8.917
23 HD1 PHE 5 HD1 PHE 5 0.325 3.733 9.525
24 HD2 PHE 5 HD2 PHE 5 3.003 0.432 9.762
25 HE1 PHE 5 HE1 PHE 5 1.843 5.070 10.926
26 HE2 PHE 5 HE2 PHE 5 4.525 1.764 11.163
27 HZ PHE 5 HZ PHE 5 3.945 4.086 11.747
28 H GLU 6 H GLU 6 3.322 1.596 7.600
29 HA GLU 6 HA GLU 6 4.356 0.061 5.474
30 HB2 GLU 6 2HB GLU 6 5.559 1.808 6.895
31 HB3 GLU 6 3HB GLU 6 5.792 0.539 8.084
32 HG2 GLU 6 2HG GLU 6 6.942 -0.786 6.279
33 HG3 GLU 6 3HG GLU 6 6.879 0.666 5.282
34 H GLY 7 H GLY 7 4.921 -2.012 5.256
35 HA2 GLY 7 2HA GLY 7 5.320 -4.243 5.821
36 HA3 GLY 7 3HA GLY 7 4.957 -3.859 7.495
37 H GLU 8 H GLU 8 2.448 -2.564 5.914
38 HA GLU 8 HA GLU 8 0.735 -4.880 6.401
39 HB2 GLU 8 2HB GLU 8 0.350 -2.424 7.238
40 HB3 GLU 8 3HB GLU 8 -0.271 -2.160 5.617
41 HG2 GLU 8 2HG GLU 8 -1.946 -3.883 5.951
42 HG3 GLU 8 3HG GLU 8 -1.300 -4.223 7.556
43 H SER 9 H SER 9 -0.939 -5.460 4.868
44 HA SER 9 HA SER 9 0.012 -5.268 2.109
45 HB2 SER 9 2HB SER 9 -0.416 -7.516 3.140
46 HB3 SER 9 3HB SER 9 -2.125 -7.095 3.233
47 HG SER 9 HG SER 9 -1.958 -6.748 0.891
48 H CYS 10 H CYS 10 -0.846 -3.788 0.840
49 HA CYS 10 HA CYS 10 -3.680 -3.063 1.197
50 HB2 CYS 10 2HB CYS 10 -3.237 -0.823 0.819
51 HB3 CYS 10 3HB CYS 10 -1.793 -1.311 1.694
52 H ASN 11 H ASN 11 -4.864 -2.533 -0.711
53 HA ASN 11 HA ASN 11 -3.927 -3.973 -3.083
54 HB2 ASN 11 2HB ASN 11 -6.724 -3.007 -2.494
55 HB3 ASN 11 3HB ASN 11 -6.236 -4.114 -3.767
56 HD21 ASN 11 1HD2 ASN 11 -6.463 -3.724 -0.285
57 HD22 ASN 11 2HD2 ASN 11 -6.626 -5.406 0.082
58 H VAL 12 H VAL 12 -3.719 -2.982 -5.046
59 HA VAL 12 HA VAL 12 -3.751 -0.065 -4.968
60 HB VAL 12 HB VAL 12 -2.471 -0.109 -7.058
61 HG11 VAL 12 1HG1 VAL 12 -1.368 -1.917 -4.913
62 HG12 VAL 12 2HG1 VAL 12 -1.238 -0.159 -4.984
63 HG13 VAL 12 3HG1 VAL 12 -0.412 -1.154 -6.185
64 HG21 VAL 12 3HG2 VAL 12 -3.530 -2.265 -7.893
65 HG22 VAL 12 1HG2 VAL 12 -2.366 -3.111 -6.874
66 HG23 VAL 12 2HG2 VAL 12 -1.798 -2.073 -8.183
67 H GLU 13 H GLU 13 -6.176 -1.836 -5.237
68 HA GLU 13 HA GLU 13 -7.216 -0.847 -7.808
69 HB2 GLU 13 2HB GLU 13 -8.105 -3.200 -6.134
70 HB3 GLU 13 3HB GLU 13 -8.866 -2.689 -7.630
71 HG2 GLU 13 2HG GLU 13 -5.965 -3.448 -7.556
72 HG3 GLU 13 3HG GLU 13 -7.230 -4.673 -7.661
73 H PHE 14 H PHE 14 -7.737 -0.975 -4.342
74 HA PHE 14 HA PHE 14 -9.818 1.051 -4.546
75 HB2 PHE 14 2HB PHE 14 -11.227 -0.336 -2.849
76 HB3 PHE 14 3HB PHE 14 -11.295 -0.758 -4.555
77 HD1 PHE 14 HD1 PHE 14 -10.233 -2.773 -5.393
78 HD2 PHE 14 HD2 PHE 14 -10.205 -1.814 -1.253
79 HE1 PHE 14 HE1 PHE 14 -9.498 -5.061 -4.874
80 HE2 PHE 14 HE2 PHE 14 -9.473 -4.101 -0.722
81 HZ PHE 14 HZ PHE 14 -9.104 -5.713 -2.540
82 H TYR 15 H TYR 15 -7.920 -0.998 -2.329
83 HA TYR 15 HA TYR 15 -7.830 1.256 -0.431
84 HB2 TYR 15 2HB TYR 15 -8.954 -0.955 0.282
85 HB3 TYR 15 3HB TYR 15 -7.327 -1.611 0.335
86 HD1 TYR 15 HD1 TYR 15 -5.665 -0.645 1.980
87 HD2 TYR 15 HD2 TYR 15 -9.790 0.414 2.026
88 HE1 TYR 15 HE1 TYR 15 -5.414 0.211 4.267
89 HE2 TYR 15 HE2 TYR 15 -9.544 1.277 4.315
90 HH TYR 15 HH TYR 15 -6.527 1.806 5.769
91 HA PRO 16 HA PRO 16 -3.444 0.593 -1.974
92 HB2 PRO 16 2HB PRO 16 -2.881 3.211 -2.464
93 HB3 PRO 16 3HB PRO 16 -3.710 2.181 -3.646
94 HG2 PRO 16 2HG PRO 16 -4.865 4.179 -1.756
95 HG3 PRO 16 3HG PRO 16 -5.251 3.890 -3.465
96 HD2 PRO 16 2HD PRO 16 -6.779 2.930 -1.443
97 HD3 PRO 16 3HD PRO 16 -6.603 2.100 -2.998
98 H CYS 17 H CYS 17 -1.433 2.162 -1.245
99 HA CYS 17 HA CYS 17 -1.285 1.914 1.585
100 HB2 CYS 17 2HB CYS 17 0.571 3.188 -0.435
101 HB3 CYS 17 3HB CYS 17 0.947 3.056 1.275
102 H CYS 18 H CYS 18 -0.086 4.027 2.701
103 HA CYS 18 HA CYS 18 -2.176 6.023 2.794
104 HB2 CYS 18 2HB CYS 18 0.216 5.393 4.482
105 HB3 CYS 18 3HB CYS 18 -0.561 6.967 4.626
106 HA PRO 19 HA PRO 19 0.192 8.677 0.014
107 HB2 PRO 19 2HB PRO 19 -1.713 10.568 -0.357
108 HB3 PRO 19 3HB PRO 19 -1.786 8.977 -1.138
109 HG2 PRO 19 2HG PRO 19 -3.295 9.997 1.204
110 HG3 PRO 19 3HG PRO 19 -3.813 8.896 -0.086
111 HD2 PRO 19 2HD PRO 19 -3.031 8.112 2.456
112 HD3 PRO 19 3HD PRO 19 -3.068 7.061 1.027
113 H GLY 20 H GLY 20 1.133 10.776 0.038
114 HA2 GLY 20 2HA GLY 20 1.652 12.875 0.974
115 HA3 GLY 20 3HA GLY 20 0.732 12.443 2.405
116 H LEU 21 H LEU 21 2.061 9.851 2.715
117 HA LEU 21 HA LEU 21 4.397 10.763 4.152
118 HB2 LEU 21 2HB LEU 21 3.374 7.938 3.900
119 HB3 LEU 21 3HB LEU 21 4.449 8.564 5.125
120 HG LEU 21 HG LEU 21 1.585 9.476 4.848
121 HD11 LEU 21 1HD1 LEU 21 1.672 7.051 5.227
122 HD12 LEU 21 2HD1 LEU 21 1.012 7.922 6.609
123 HD13 LEU 21 3HD1 LEU 21 2.668 7.321 6.656
124 HD21 LEU 21 3HD2 LEU 21 3.559 9.640 7.131
125 HD22 LEU 21 1HD2 LEU 21 1.881 10.177 7.183
126 HD23 LEU 21 2HD2 LEU 21 3.031 10.980 6.113
127 H GLY 22 H GLY 22 3.833 8.088 1.829
128 HA2 GLY 22 2HA GLY 22 5.360 8.295 -0.209
129 HA3 GLY 22 3HA GLY 22 6.646 8.339 0.984
130 H LEU 23 H LEU 23 3.760 6.290 1.145
131 HA LEU 23 HA LEU 23 5.478 3.939 1.293
132 HB2 LEU 23 2HB LEU 23 2.565 4.445 1.859
133 HB3 LEU 23 3HB LEU 23 3.154 2.812 1.666
134 HG LEU 23 HG LEU 23 2.920 3.406 4.019
135 HD11 LEU 23 1HD1 LEU 23 5.859 3.215 3.462
136 HD12 LEU 23 2HD1 LEU 23 4.752 1.865 3.217
137 HD13 LEU 23 3HD1 LEU 23 4.949 2.564 4.823
138 HD21 LEU 23 3HD2 LEU 23 3.229 5.726 4.100
139 HD22 LEU 23 1HD2 LEU 23 4.827 5.624 3.361
140 HD23 LEU 23 2HD2 LEU 23 4.576 5.035 5.005
141 H THR 24 H THR 24 5.075 2.031 0.078
142 HA THR 24 HA THR 24 3.525 2.276 -2.384
143 HB THR 24 HB THR 24 5.728 3.008 -3.099
144 HG1 THR 24 HG1 THR 24 4.413 1.209 -4.258
145 HG21 THR 24 3HG2 THR 24 6.755 0.446 -1.866
146 HG22 THR 24 1HG2 THR 24 7.196 2.098 -1.433
147 HG23 THR 24 2HG2 THR 24 7.687 1.435 -2.992
148 H CYS 25 H CYS 25 2.428 0.447 -2.825
149 HA CYS 25 HA CYS 25 2.828 -1.864 -1.118
150 HB2 CYS 25 2HB CYS 25 0.639 -0.727 -2.598
151 HB3 CYS 25 3HB CYS 25 0.835 -2.420 -3.033
152 H ILE 26 H ILE 26 3.970 -3.591 -1.634
153 HA ILE 26 HA ILE 26 4.558 -4.123 -4.471
154 HB ILE 26 HB ILE 26 6.454 -4.603 -2.163
155 HG12 ILE 26 2HG1 ILE 26 6.189 -2.190 -2.539
156 HG13 ILE 26 3HG1 ILE 26 7.793 -2.722 -3.000
157 HG21 ILE 26 1HG2 ILE 26 8.119 -5.191 -3.755
158 HG22 ILE 26 2HG2 ILE 26 7.079 -4.733 -5.105
159 HG23 ILE 26 3HG2 ILE 26 6.675 -6.140 -4.121
160 HD11 ILE 26 3HD1 ILE 26 7.087 -2.661 -5.375
161 HD12 ILE 26 1HD1 ILE 26 6.971 -1.091 -4.578
162 HD13 ILE 26 2HD1 ILE 26 5.516 -2.046 -4.863
163 HA PRO 27 HA PRO 27 4.610 -5.523 -5.985
164 HB2 PRO 27 2HB PRO 27 2.781 -6.969 -7.350
165 HB3 PRO 27 3HB PRO 27 4.363 -7.618 -6.888
166 HG2 PRO 27 2HG PRO 27 1.711 -8.048 -5.604
167 HG3 PRO 27 3HG PRO 27 3.009 -9.216 -5.926
168 HD2 PRO 27 2HD PRO 27 2.599 -8.088 -3.484
169 HD3 PRO 27 3HD PRO 27 4.193 -8.614 -4.057
170 H GLY 28 H GLY 28 1.472 -5.968 -4.438
171 HA2 GLY 28 2HA GLY 28 -0.029 -4.166 -4.054
172 HA3 GLY 28 3HA GLY 28 0.617 -3.356 -5.472
173 H ASN 29 H ASN 29 0.375 -5.976 -7.007
174 HA ASN 29 HA ASN 29 -2.537 -5.818 -7.467
175 HB2 ASN 29 2HB ASN 29 -0.277 -6.346 -9.406
176 HB3 ASN 29 3HB ASN 29 -1.970 -6.609 -9.810
177 HD21 ASN 29 1HD2 ASN 29 0.488 -4.254 -9.130
178 HD22 ASN 29 2HD2 ASN 29 -0.390 -2.876 -9.693
179 HA PRO 30 HA PRO 30 -4.404 -6.849 -7.252
180 HB2 PRO 30 2HB PRO 30 -5.694 -8.180 -5.253
181 HB3 PRO 30 3HB PRO 30 -5.755 -8.690 -6.951
182 HG2 PRO 30 2HG PRO 30 -4.092 -9.758 -4.723
183 HG3 PRO 30 3HG PRO 30 -4.960 -10.630 -6.003
184 HD2 PRO 30 2HD PRO 30 -2.295 -10.187 -6.103
185 HD3 PRO 30 3HD PRO 30 -3.307 -10.274 -7.556
186 H ASP 31 H ASP 31 -2.300 -7.875 -4.646
187 HA ASP 31 HA ASP 31 -2.401 -5.245 -3.445
188 HB2 ASP 31 2HB ASP 31 -2.785 -6.171 -1.126
189 HB3 ASP 31 3HB ASP 31 -4.199 -6.183 -2.171
190 H GLY 32 H GLY 32 -0.652 -4.800 -2.057
191 HA2 GLY 32 2HA GLY 32 1.444 -6.855 -1.874
192 HA3 GLY 32 3HA GLY 32 1.826 -5.314 -2.627
193 H THR 33 H THR 33 3.481 -5.396 -0.850
194 HA THR 33 HA THR 33 2.420 -4.619 1.763
195 HB THR 33 HB THR 33 5.040 -4.671 2.234
196 HG1 THR 33 HG1 THR 33 4.723 -6.600 0.165
197 HG21 THR 33 3HG2 THR 33 3.368 -6.006 3.398
198 HG22 THR 33 1HG2 THR 33 4.773 -6.991 2.987
199 HG23 THR 33 2HG2 THR 33 3.293 -7.123 2.034
200 H CYS 34 H CYS 34 2.615 -2.671 2.613
201 HA CYS 34 HA CYS 34 3.426 -0.492 0.908
202 HB2 CYS 34 2HB CYS 34 2.231 -0.620 3.676
203 HB3 CYS 34 3HB CYS 34 2.685 0.899 2.911
204 H TYR 35 H TYR 35 5.477 -0.091 0.681
205 HA TYR 35 HA TYR 35 7.254 -0.089 3.029
206 HB2 TYR 35 2HB TYR 35 7.783 -0.649 0.118
207 HB3 TYR 35 3HB TYR 35 9.086 -0.189 1.208
208 HD1 TYR 35 HD1 TYR 35 9.399 -1.625 3.326
209 HD2 TYR 35 HD2 TYR 35 7.135 -2.891 -0.052
210 HE1 TYR 35 HE1 TYR 35 9.626 -3.952 4.056
211 HE2 TYR 35 HE2 TYR 35 7.352 -5.225 0.677
212 HH TYR 35 HH TYR 35 8.460 -6.101 3.762
213 H TYR 36 H TYR 36 8.681 1.628 3.338
214 HA TYR 36 HA TYR 36 7.701 4.174 2.395
215 HB2 TYR 36 2HB TYR 36 9.484 3.237 4.519
216 HB3 TYR 36 3HB TYR 36 10.031 4.729 3.762
217 HD1 TYR 36 HD2 TYR 36 8.273 6.638 3.565
218 HD2 TYR 36 HD1 TYR 36 7.861 3.312 6.190
219 HE1 TYR 36 HE2 TYR 36 6.679 7.918 4.928
220 HE2 TYR 36 HE1 TYR 36 6.263 4.585 7.556
221 HH TYR 36 HH TYR 36 4.848 7.481 6.517
222 H LEU 37 H LEU 37 8.455 5.386 0.805
223 HA LEU 37 HA LEU 37 10.578 4.395 -0.874
224 HB2 LEU 37 2HB LEU 37 8.758 6.788 -1.118
225 HB3 LEU 37 3HB LEU 37 9.977 6.375 -2.307
226 HG LEU 37 HG LEU 37 7.920 4.327 -1.591
227 HD11 LEU 37 1HD1 LEU 37 6.423 5.233 -3.310
228 HD12 LEU 37 2HD1 LEU 37 7.465 6.648 -3.460
229 HD13 LEU 37 3HD1 LEU 37 6.610 6.339 -1.949
230 HD21 LEU 37 3HD2 LEU 37 9.766 3.721 -3.072
231 HD22 LEU 37 1HD2 LEU 37 9.342 5.047 -4.154
232 HD23 LEU 37 2HD2 LEU 37 8.228 3.698 -3.935
Start of MODEL 17
1 H1 PCA 1 H1 PCA 1 -10.273 7.114 3.988
2 HA PCA 1 HA PCA 1 -10.436 4.747 3.808
3 HB2 PCA 1 3HB PCA 1 -12.617 4.638 2.814
4 HB3 PCA 1 2HB PCA 1 -11.700 4.319 1.290
5 HG2 PCA 1 3HG PCA 1 -13.692 5.994 2.741
6 HG3 PCA 1 2HG PCA 1 -12.990 6.432 1.162
7 H GLY 2 H GLY 2 -8.810 3.505 3.005
8 HA2 GLY 2 2HA GLY 2 -7.417 2.656 1.270
9 HA3 GLY 2 3HA GLY 2 -7.591 4.183 0.419
10 H CYS 3 H CYS 3 -6.545 3.208 3.681
11 HA CYS 3 HA CYS 3 -3.957 4.512 3.213
12 HB2 CYS 3 2HB CYS 3 -5.787 5.887 4.576
13 HB3 CYS 3 3HB CYS 3 -5.231 4.863 5.895
14 H ALA 4 H ALA 4 -2.502 2.966 3.450
15 HA ALA 4 HA ALA 4 -2.845 0.999 5.618
16 HB1 ALA 4 3HB ALA 4 -2.868 0.275 3.104
17 HB2 ALA 4 1HB ALA 4 -2.004 -0.688 4.303
18 HB3 ALA 4 2HB ALA 4 -1.117 0.420 3.260
19 H PHE 5 H PHE 5 -1.024 0.419 6.836
20 HA PHE 5 HA PHE 5 1.060 2.462 6.947
21 HB2 PHE 5 2HB PHE 5 0.249 0.252 8.845
22 HB3 PHE 5 3HB PHE 5 1.659 1.271 9.111
23 HD1 PHE 5 HD2 PHE 5 1.415 3.598 9.726
24 HD2 PHE 5 HD1 PHE 5 -1.991 1.128 9.086
25 HE1 PHE 5 HE2 PHE 5 -0.006 5.278 10.829
26 HE2 PHE 5 HE1 PHE 5 -3.418 2.803 10.187
27 HZ PHE 5 HZ PHE 5 -2.426 4.881 11.061
28 H GLU 6 H GLU 6 3.329 1.580 7.621
29 HA GLU 6 HA GLU 6 4.363 0.062 5.468
30 HB2 GLU 6 2HB GLU 6 5.569 1.810 6.893
31 HB3 GLU 6 3HB GLU 6 5.802 0.536 8.077
32 HG2 GLU 6 2HG GLU 6 6.951 -0.784 6.270
33 HG3 GLU 6 3HG GLU 6 6.880 0.666 5.271
34 H GLY 7 H GLY 7 4.935 -2.013 5.257
35 HA2 GLY 7 2HA GLY 7 5.323 -4.243 5.824
36 HA3 GLY 7 3HA GLY 7 4.962 -3.856 7.498
37 H GLU 8 H GLU 8 2.455 -2.558 5.917
38 HA GLU 8 HA GLU 8 0.739 -4.869 6.407
39 HB2 GLU 8 2HB GLU 8 0.360 -2.411 7.239
40 HB3 GLU 8 3HB GLU 8 -0.265 -2.152 5.617
41 HG2 GLU 8 2HG GLU 8 -1.938 -3.879 5.964
42 HG3 GLU 8 3HG GLU 8 -1.290 -4.202 7.571
43 H SER 9 H SER 9 -0.934 -5.454 4.876
44 HA SER 9 HA SER 9 0.015 -5.266 2.117
45 HB2 SER 9 2HB SER 9 -2.024 -7.122 3.370
46 HB3 SER 9 3HB SER 9 -1.492 -7.182 1.690
47 HG SER 9 HG SER 9 0.717 -7.294 2.861
48 H CYS 10 H CYS 10 -0.844 -3.790 0.845
49 HA CYS 10 HA CYS 10 -3.680 -3.073 1.197
50 HB2 CYS 10 2HB CYS 10 -3.243 -0.832 0.812
51 HB3 CYS 10 3HB CYS 10 -1.799 -1.315 1.689
52 H ASN 11 H ASN 11 -4.853 -2.520 -0.725
53 HA ASN 11 HA ASN 11 -3.917 -3.982 -3.085
54 HB2 ASN 11 2HB ASN 11 -6.715 -3.016 -2.501
55 HB3 ASN 11 3HB ASN 11 -6.226 -4.124 -3.774
56 HD21 ASN 11 1HD2 ASN 11 -6.466 -3.732 -0.295
57 HD22 ASN 11 2HD2 ASN 11 -6.623 -5.416 0.073
58 H VAL 12 H VAL 12 -3.714 -3.000 -5.056
59 HA VAL 12 HA VAL 12 -3.737 -0.087 -4.986
60 HB VAL 12 HB VAL 12 -2.483 -0.148 -7.104
61 HG11 VAL 12 1HG1 VAL 12 -1.229 -0.110 -5.054
62 HG12 VAL 12 2HG1 VAL 12 -0.405 -1.164 -6.206
63 HG13 VAL 12 3HG1 VAL 12 -1.357 -1.862 -4.894
64 HG21 VAL 12 3HG2 VAL 12 -1.805 -2.119 -8.196
65 HG22 VAL 12 1HG2 VAL 12 -3.520 -2.359 -7.855
66 HG23 VAL 12 2HG2 VAL 12 -2.300 -3.140 -6.846
67 H GLU 13 H GLU 13 -6.182 -1.818 -5.232
68 HA GLU 13 HA GLU 13 -7.220 -0.827 -7.806
69 HB2 GLU 13 2HB GLU 13 -8.103 -3.181 -6.131
70 HB3 GLU 13 3HB GLU 13 -8.890 -2.657 -7.609
71 HG2 GLU 13 2HG GLU 13 -5.991 -3.406 -7.608
72 HG3 GLU 13 3HG GLU 13 -7.246 -4.644 -7.668
73 H PHE 14 H PHE 14 -7.755 -0.986 -4.338
74 HA PHE 14 HA PHE 14 -9.826 1.057 -4.536
75 HB2 PHE 14 2HB PHE 14 -11.229 -0.334 -2.836
76 HB3 PHE 14 3HB PHE 14 -11.302 -0.753 -4.542
77 HD1 PHE 14 HD1 PHE 14 -10.235 -2.766 -5.386
78 HD2 PHE 14 HD2 PHE 14 -10.205 -1.814 -1.245
79 HE1 PHE 14 HE1 PHE 14 -9.495 -5.053 -4.873
80 HE2 PHE 14 HE2 PHE 14 -9.466 -4.099 -0.719
81 HZ PHE 14 HZ PHE 14 -9.095 -5.707 -2.541
82 H TYR 15 H TYR 15 -7.921 -0.995 -2.328
83 HA TYR 15 HA TYR 15 -7.821 1.259 -0.431
84 HB2 TYR 15 2HB TYR 15 -8.950 -0.951 0.284
85 HB3 TYR 15 3HB TYR 15 -7.322 -1.607 0.340
86 HD1 TYR 15 HD1 TYR 15 -5.669 -0.662 1.995
87 HD2 TYR 15 HD2 TYR 15 -9.781 0.450 2.014
88 HE1 TYR 15 HE1 TYR 15 -5.419 0.202 4.279
89 HE2 TYR 15 HE2 TYR 15 -9.537 1.320 4.299
90 HH TYR 15 HH TYR 15 -6.520 1.819 5.768
91 HA PRO 16 HA PRO 16 -3.443 0.581 -1.985
92 HB2 PRO 16 2HB PRO 16 -2.873 3.196 -2.480
93 HB3 PRO 16 3HB PRO 16 -3.709 2.167 -3.660
94 HG2 PRO 16 2HG PRO 16 -4.853 4.173 -1.769
95 HG3 PRO 16 3HG PRO 16 -5.244 3.881 -3.477
96 HD2 PRO 16 2HD PRO 16 -6.768 2.930 -1.447
97 HD3 PRO 16 3HD PRO 16 -6.601 2.097 -3.001
98 H CYS 17 H CYS 17 -1.427 2.150 -1.262
99 HA CYS 17 HA CYS 17 -1.274 1.902 1.568
100 HB2 CYS 17 2HB CYS 17 0.578 3.167 -0.461
101 HB3 CYS 17 3HB CYS 17 0.957 3.050 1.249
102 H CYS 18 H CYS 18 -0.085 4.008 2.694
103 HA CYS 18 HA CYS 18 -2.172 6.005 2.781
104 HB2 CYS 18 2HB CYS 18 0.210 5.368 4.478
105 HB3 CYS 18 3HB CYS 18 -0.559 6.947 4.617
106 HA PRO 19 HA PRO 19 0.201 8.668 0.016
107 HB2 PRO 19 2HB PRO 19 -1.705 10.559 -0.355
108 HB3 PRO 19 3HB PRO 19 -1.775 8.970 -1.141
109 HG2 PRO 19 2HG PRO 19 -3.291 9.983 1.199
110 HG3 PRO 19 3HG PRO 19 -3.804 8.883 -0.094
111 HD2 PRO 19 2HD PRO 19 -3.028 8.094 2.447
112 HD3 PRO 19 3HD PRO 19 -3.061 7.047 1.017
113 H GLY 20 H GLY 20 1.135 10.773 0.045
114 HA2 GLY 20 2HA GLY 20 1.651 12.868 0.991
115 HA3 GLY 20 3HA GLY 20 0.730 12.429 2.420
116 H LEU 21 H LEU 21 2.059 9.839 2.723
117 HA LEU 21 HA LEU 21 4.395 10.747 4.166
118 HB2 LEU 21 2HB LEU 21 3.372 7.922 3.904
119 HB3 LEU 21 3HB LEU 21 4.445 8.545 5.134
120 HG LEU 21 HG LEU 21 1.581 9.457 4.855
121 HD11 LEU 21 1HD1 LEU 21 1.668 7.031 5.226
122 HD12 LEU 21 2HD1 LEU 21 1.005 7.898 6.610
123 HD13 LEU 21 3HD1 LEU 21 2.663 7.297 6.657
124 HD21 LEU 21 3HD2 LEU 21 3.027 10.956 6.127
125 HD22 LEU 21 1HD2 LEU 21 3.549 9.612 7.144
126 HD23 LEU 21 2HD2 LEU 21 1.871 10.155 7.190
127 H GLY 22 H GLY 22 3.825 8.089 1.826
128 HA2 GLY 22 2HA GLY 22 5.352 8.294 -0.208
129 HA3 GLY 22 3HA GLY 22 6.640 8.341 0.982
130 H LEU 23 H LEU 23 3.757 6.285 1.144
131 HA LEU 23 HA LEU 23 5.481 3.937 1.291
132 HB2 LEU 23 2HB LEU 23 2.564 4.435 1.853
133 HB3 LEU 23 3HB LEU 23 3.158 2.804 1.658
134 HG LEU 23 HG LEU 23 2.920 3.391 4.011
135 HD11 LEU 23 1HD1 LEU 23 5.860 3.215 3.462
136 HD12 LEU 23 2HD1 LEU 23 4.761 1.861 3.208
137 HD13 LEU 23 3HD1 LEU 23 4.949 2.554 4.818
138 HD21 LEU 23 3HD2 LEU 23 4.558 5.027 5.006
139 HD22 LEU 23 1HD2 LEU 23 3.219 5.714 4.088
140 HD23 LEU 23 2HD2 LEU 23 4.824 5.615 3.365
141 H THR 24 H THR 24 5.080 2.028 0.076
142 HA THR 24 HA THR 24 3.536 2.272 -2.390
143 HB THR 24 HB THR 24 5.740 3.002 -3.102
144 HG1 THR 24 HG1 THR 24 4.849 1.795 -4.685
145 HG21 THR 24 3HG2 THR 24 7.203 2.099 -1.429
146 HG22 THR 24 1HG2 THR 24 7.701 1.434 -2.984
147 HG23 THR 24 2HG2 THR 24 6.767 0.446 -1.859
148 H CYS 25 H CYS 25 2.431 0.446 -2.819
149 HA CYS 25 HA CYS 25 2.832 -1.863 -1.112
150 HB2 CYS 25 2HB CYS 25 0.646 -0.725 -2.589
151 HB3 CYS 25 3HB CYS 25 0.838 -2.416 -3.027
152 H ILE 26 H ILE 26 3.973 -3.596 -1.627
153 HA ILE 26 HA ILE 26 4.558 -4.124 -4.465
154 HB ILE 26 HB ILE 26 6.454 -4.620 -2.161
155 HG12 ILE 26 2HG1 ILE 26 6.197 -2.205 -2.519
156 HG13 ILE 26 3HG1 ILE 26 7.797 -2.737 -2.993
157 HG21 ILE 26 1HG2 ILE 26 7.104 -4.714 -5.099
158 HG22 ILE 26 2HG2 ILE 26 6.649 -6.134 -4.158
159 HG23 ILE 26 3HG2 ILE 26 8.108 -5.230 -3.742
160 HD11 ILE 26 3HD1 ILE 26 6.970 -1.092 -4.555
161 HD12 ILE 26 1HD1 ILE 26 5.510 -2.043 -4.838
162 HD13 ILE 26 2HD1 ILE 26 7.077 -2.656 -5.364
163 HA PRO 27 HA PRO 27 4.585 -5.511 -5.986
164 HB2 PRO 27 2HB PRO 27 2.730 -6.935 -7.341
165 HB3 PRO 27 3HB PRO 27 4.315 -7.596 -6.902
166 HG2 PRO 27 2HG PRO 27 1.674 -8.023 -5.592
167 HG3 PRO 27 3HG PRO 27 2.962 -9.194 -5.938
168 HD2 PRO 27 2HD PRO 27 2.588 -8.086 -3.482
169 HD3 PRO 27 3HD PRO 27 4.173 -8.613 -4.080
170 H GLY 28 H GLY 28 1.467 -5.943 -4.400
171 HA2 GLY 28 2HA GLY 28 -0.021 -4.143 -3.985
172 HA3 GLY 28 3HA GLY 28 0.615 -3.317 -5.399
173 H ASN 29 H ASN 29 0.345 -5.892 -6.985
174 HA ASN 29 HA ASN 29 -2.579 -5.758 -7.343
175 HB2 ASN 29 2HB ASN 29 -2.137 -6.336 -9.761
176 HB3 ASN 29 3HB ASN 29 -1.577 -4.747 -9.263
177 HD21 ASN 29 1HD2 ASN 29 0.637 -4.353 -9.113
178 HD22 ASN 29 2HD2 ASN 29 1.805 -5.387 -9.857
179 HA PRO 30 HA PRO 30 -4.452 -6.872 -7.222
180 HB2 PRO 30 2HB PRO 30 -5.614 -8.299 -5.200
181 HB3 PRO 30 3HB PRO 30 -5.744 -8.747 -6.911
182 HG2 PRO 30 2HG PRO 30 -3.950 -9.853 -4.805
183 HG3 PRO 30 3HG PRO 30 -4.850 -10.697 -6.080
184 HD2 PRO 30 2HD PRO 30 -2.210 -10.187 -6.287
185 HD3 PRO 30 3HD PRO 30 -3.286 -10.213 -7.697
186 H ASP 31 H ASP 31 -2.282 -7.897 -4.653
187 HA ASP 31 HA ASP 31 -2.408 -5.280 -3.426
188 HB2 ASP 31 2HB ASP 31 -2.775 -6.230 -1.113
189 HB3 ASP 31 3HB ASP 31 -4.192 -6.245 -2.153
190 H GLY 32 H GLY 32 -0.663 -4.837 -2.023
191 HA2 GLY 32 2HA GLY 32 1.451 -6.871 -1.856
192 HA3 GLY 32 3HA GLY 32 1.821 -5.331 -2.617
193 H THR 33 H THR 33 3.484 -5.409 -0.841
194 HA THR 33 HA THR 33 2.424 -4.620 1.769
195 HB THR 33 HB THR 33 5.042 -4.671 2.243
196 HG1 THR 33 HG1 THR 33 5.755 -6.643 0.980
197 HG21 THR 33 3HG2 THR 33 3.299 -7.126 2.045
198 HG22 THR 33 1HG2 THR 33 3.370 -6.006 3.407
199 HG23 THR 33 2HG2 THR 33 4.776 -6.991 3.000
200 H CYS 34 H CYS 34 2.620 -2.672 2.614
201 HA CYS 34 HA CYS 34 3.430 -0.496 0.906
202 HB2 CYS 34 2HB CYS 34 2.235 -0.621 3.675
203 HB3 CYS 34 3HB CYS 34 2.690 0.897 2.908
204 H TYR 35 H TYR 35 5.481 -0.093 0.678
205 HA TYR 35 HA TYR 35 7.259 -0.089 3.024
206 HB2 TYR 35 2HB TYR 35 7.786 -0.653 0.114
207 HB3 TYR 35 3HB TYR 35 9.089 -0.191 1.202
208 HD1 TYR 35 HD1 TYR 35 9.400 -1.623 3.324
209 HD2 TYR 35 HD2 TYR 35 7.142 -2.896 -0.055
210 HE1 TYR 35 HE1 TYR 35 9.628 -3.948 4.059
211 HE2 TYR 35 HE2 TYR 35 7.359 -5.229 0.679
212 HH TYR 35 HH TYR 35 8.861 -6.592 2.072
213 H TYR 36 H TYR 36 8.676 1.632 3.338
214 HA TYR 36 HA TYR 36 7.698 4.175 2.389
215 HB2 TYR 36 2HB TYR 36 9.479 3.242 4.516
216 HB3 TYR 36 3HB TYR 36 10.025 4.733 3.758
217 HD1 TYR 36 HD2 TYR 36 8.274 6.645 3.563
218 HD2 TYR 36 HD1 TYR 36 7.846 3.314 6.178
219 HE1 TYR 36 HE2 TYR 36 6.679 7.924 4.923
220 HE2 TYR 36 HE1 TYR 36 6.244 4.586 7.542
221 HH TYR 36 HH TYR 36 5.677 6.931 8.009
222 H LEU 37 H LEU 37 8.453 5.389 0.802
223 HA LEU 37 HA LEU 37 10.579 4.400 -0.876
224 HB2 LEU 37 2HB LEU 37 8.757 6.791 -1.122
225 HB3 LEU 37 3HB LEU 37 9.976 6.378 -2.310
226 HG LEU 37 HG LEU 37 7.921 4.328 -1.593
227 HD11 LEU 37 1HD1 LEU 37 7.466 6.647 -3.466
228 HD12 LEU 37 2HD1 LEU 37 6.610 6.338 -1.954
229 HD13 LEU 37 3HD1 LEU 37 6.426 5.230 -3.315
230 HD21 LEU 37 3HD2 LEU 37 8.232 3.696 -3.937
231 HD22 LEU 37 1HD2 LEU 37 9.769 3.722 -3.073
232 HD23 LEU 37 2HD2 LEU 37 9.345 5.047 -4.157
Start of MODEL 18
1 H1 PCA 1 H1 PCA 1 -11.186 3.092 2.988
2 HA PCA 1 HA PCA 1 -11.383 5.751 3.053
3 HB2 PCA 1 3HB PCA 1 -10.681 6.039 5.330
4 HB3 PCA 1 2HB PCA 1 -9.018 6.028 4.623
5 HG2 PCA 1 3HG PCA 1 -10.950 4.852 6.562
6 HG3 PCA 1 2HG PCA 1 -9.375 4.118 6.162
7 H GLY 2 H GLY 2 -8.809 3.293 3.123
8 HA2 GLY 2 2HA GLY 2 -7.453 2.742 1.260
9 HA3 GLY 2 3HA GLY 2 -7.743 4.344 0.601
10 H CYS 3 H CYS 3 -6.546 3.215 3.758
11 HA CYS 3 HA CYS 3 -3.974 4.527 3.251
12 HB2 CYS 3 2HB CYS 3 -5.769 5.912 4.650
13 HB3 CYS 3 3HB CYS 3 -5.193 4.886 5.957
14 H ALA 4 H ALA 4 -2.518 2.976 3.470
15 HA ALA 4 HA ALA 4 -2.856 0.991 5.623
16 HB1 ALA 4 3HB ALA 4 -1.107 0.446 3.272
17 HB2 ALA 4 1HB ALA 4 -2.856 0.308 3.095
18 HB3 ALA 4 2HB ALA 4 -2.009 -0.675 4.289
19 H PHE 5 H PHE 5 -1.040 0.395 6.838
20 HA PHE 5 HA PHE 5 1.044 2.439 6.990
21 HB2 PHE 5 2HB PHE 5 -0.382 1.451 8.970
22 HB3 PHE 5 3HB PHE 5 0.798 0.149 8.917
23 HD1 PHE 5 HD1 PHE 5 0.338 3.759 9.509
24 HD2 PHE 5 HD2 PHE 5 3.000 0.445 9.757
25 HE1 PHE 5 HE1 PHE 5 1.865 5.094 10.899
26 HE2 PHE 5 HE2 PHE 5 4.532 1.776 11.146
27 HZ PHE 5 HZ PHE 5 3.966 4.104 11.720
28 H GLU 6 H GLU 6 3.315 1.597 7.593
29 HA GLU 6 HA GLU 6 4.340 0.056 5.465
30 HB2 GLU 6 2HB GLU 6 5.549 1.804 6.886
31 HB3 GLU 6 3HB GLU 6 5.786 0.529 8.070
32 HG2 GLU 6 2HG GLU 6 6.926 -0.790 6.254
33 HG3 GLU 6 3HG GLU 6 6.858 0.664 5.261
34 H GLY 7 H GLY 7 4.918 -2.017 5.254
35 HA2 GLY 7 2HA GLY 7 5.310 -4.247 5.824
36 HA3 GLY 7 3HA GLY 7 4.944 -3.859 7.497
37 H GLU 8 H GLU 8 2.439 -2.566 5.912
38 HA GLU 8 HA GLU 8 0.725 -4.881 6.395
39 HB2 GLU 8 2HB GLU 8 0.339 -2.427 7.232
40 HB3 GLU 8 3HB GLU 8 -0.278 -2.162 5.609
41 HG2 GLU 8 2HG GLU 8 -1.954 -3.884 5.939
42 HG3 GLU 8 3HG GLU 8 -1.313 -4.222 7.547
43 H SER 9 H SER 9 -0.947 -5.461 4.859
44 HA SER 9 HA SER 9 0.009 -5.270 2.102
45 HB2 SER 9 2HB SER 9 -0.421 -7.518 3.131
46 HB3 SER 9 3HB SER 9 -2.131 -7.096 3.223
47 HG SER 9 HG SER 9 -0.675 -7.020 0.798
48 H CYS 10 H CYS 10 -0.842 -3.778 0.841
49 HA CYS 10 HA CYS 10 -3.678 -3.055 1.191
50 HB2 CYS 10 2HB CYS 10 -3.232 -0.814 0.813
51 HB3 CYS 10 3HB CYS 10 -1.789 -1.305 1.690
52 H ASN 11 H ASN 11 -4.861 -2.528 -0.717
53 HA ASN 11 HA ASN 11 -3.923 -3.971 -3.087
54 HB2 ASN 11 2HB ASN 11 -6.720 -3.002 -2.500
55 HB3 ASN 11 3HB ASN 11 -6.232 -4.109 -3.774
56 HD21 ASN 11 1HD2 ASN 11 -6.463 -3.721 -0.292
57 HD22 ASN 11 2HD2 ASN 11 -6.626 -5.404 0.074
58 H VAL 12 H VAL 12 -3.712 -2.983 -5.051
59 HA VAL 12 HA VAL 12 -3.741 -0.066 -4.981
60 HB VAL 12 HB VAL 12 -2.462 -0.117 -7.071
61 HG11 VAL 12 1HG1 VAL 12 -1.369 -1.912 -4.909
62 HG12 VAL 12 2HG1 VAL 12 -1.217 -0.157 -5.009
63 HG13 VAL 12 3HG1 VAL 12 -0.405 -1.181 -6.195
64 HG21 VAL 12 3HG2 VAL 12 -2.363 -3.118 -6.878
65 HG22 VAL 12 1HG2 VAL 12 -1.791 -2.085 -8.189
66 HG23 VAL 12 2HG2 VAL 12 -3.524 -2.273 -7.901
67 H GLU 13 H GLU 13 -6.169 -1.834 -5.243
68 HA GLU 13 HA GLU 13 -7.207 -0.851 -7.819
69 HB2 GLU 13 2HB GLU 13 -8.101 -3.196 -6.135
70 HB3 GLU 13 3HB GLU 13 -8.861 -2.689 -7.633
71 HG2 GLU 13 2HG GLU 13 -5.962 -3.455 -7.553
72 HG3 GLU 13 3HG GLU 13 -7.230 -4.676 -7.656
73 H PHE 14 H PHE 14 -7.724 -0.960 -4.350
74 HA PHE 14 HA PHE 14 -9.802 1.069 -4.562
75 HB2 PHE 14 2HB PHE 14 -11.216 -0.309 -2.861
76 HB3 PHE 14 3HB PHE 14 -11.283 -0.736 -4.566
77 HD1 PHE 14 HD2 PHE 14 -10.226 -2.758 -5.395
78 HD2 PHE 14 HD1 PHE 14 -10.200 -1.785 -1.259
79 HE1 PHE 14 HE2 PHE 14 -9.503 -5.047 -4.867
80 HE2 PHE 14 HE1 PHE 14 -9.468 -4.069 -0.720
81 HZ PHE 14 HZ PHE 14 -9.108 -5.690 -2.531
82 H TYR 15 H TYR 15 -7.913 -0.981 -2.336
83 HA TYR 15 HA TYR 15 -7.811 1.281 -0.447
84 HB2 TYR 15 2HB TYR 15 -8.950 -0.922 0.273
85 HB3 TYR 15 3HB TYR 15 -7.326 -1.584 0.333
86 HD1 TYR 15 HD1 TYR 15 -5.674 -0.653 1.991
87 HD2 TYR 15 HD2 TYR 15 -9.775 0.497 1.994
88 HE1 TYR 15 HE1 TYR 15 -5.423 0.213 4.274
89 HE2 TYR 15 HE2 TYR 15 -9.531 1.370 4.278
90 HH TYR 15 HH TYR 15 -8.067 1.044 6.228
91 HA PRO 16 HA PRO 16 -3.430 0.584 -1.985
92 HB2 PRO 16 2HB PRO 16 -2.852 3.196 -2.487
93 HB3 PRO 16 3HB PRO 16 -3.687 2.166 -3.665
94 HG2 PRO 16 2HG PRO 16 -4.829 4.180 -1.784
95 HG3 PRO 16 3HG PRO 16 -5.217 3.887 -3.492
96 HD2 PRO 16 2HD PRO 16 -6.750 2.945 -1.465
97 HD3 PRO 16 3HD PRO 16 -6.581 2.106 -3.016
98 H CYS 17 H CYS 17 -1.414 2.158 -1.264
99 HA CYS 17 HA CYS 17 -1.262 1.912 1.565
100 HB2 CYS 17 2HB CYS 17 0.588 3.173 -0.465
101 HB3 CYS 17 3HB CYS 17 0.968 3.062 1.247
102 H CYS 18 H CYS 18 -0.075 4.015 2.692
103 HA CYS 18 HA CYS 18 -2.162 6.010 2.786
104 HB2 CYS 18 2HB CYS 18 0.233 5.382 4.467
105 HB3 CYS 18 3HB CYS 18 -0.541 6.957 4.611
106 HA PRO 19 HA PRO 19 0.185 8.672 -0.002
107 HB2 PRO 19 2HB PRO 19 -1.729 10.554 -0.369
108 HB3 PRO 19 3HB PRO 19 -1.798 8.963 -1.148
109 HG2 PRO 19 2HG PRO 19 -3.305 9.977 1.197
110 HG3 PRO 19 3HG PRO 19 -3.820 8.871 -0.091
111 HD2 PRO 19 2HD PRO 19 -3.029 8.094 2.449
112 HD3 PRO 19 3HD PRO 19 -3.065 7.041 1.022
113 H GLY 20 H GLY 20 1.135 10.761 0.027
114 HA2 GLY 20 2HA GLY 20 1.644 12.868 0.958
115 HA3 GLY 20 3HA GLY 20 0.725 12.435 2.390
116 H LEU 21 H LEU 21 2.060 9.846 2.703
117 HA LEU 21 HA LEU 21 4.395 10.767 4.139
118 HB2 LEU 21 2HB LEU 21 3.380 7.939 3.893
119 HB3 LEU 21 3HB LEU 21 4.452 8.570 5.118
120 HG LEU 21 HG LEU 21 1.585 9.472 4.837
121 HD11 LEU 21 1HD1 LEU 21 1.016 7.921 6.602
122 HD12 LEU 21 2HD1 LEU 21 2.676 7.330 6.655
123 HD13 LEU 21 3HD1 LEU 21 1.684 7.048 5.224
124 HD21 LEU 21 3HD2 LEU 21 3.560 9.652 7.118
125 HD22 LEU 21 1HD2 LEU 21 1.877 10.182 7.170
126 HD23 LEU 21 2HD2 LEU 21 3.023 10.986 6.097
127 H GLY 22 H GLY 22 3.837 8.087 1.821
128 HA2 GLY 22 2HA GLY 22 5.367 8.294 -0.217
129 HA3 GLY 22 3HA GLY 22 6.650 8.340 0.979
130 H LEU 23 H LEU 23 3.766 6.290 1.141
131 HA LEU 23 HA LEU 23 5.486 3.939 1.288
132 HB2 LEU 23 2HB LEU 23 2.572 4.442 1.856
133 HB3 LEU 23 3HB LEU 23 3.163 2.810 1.665
134 HG LEU 23 HG LEU 23 2.930 3.408 4.016
135 HD11 LEU 23 1HD1 LEU 23 4.959 2.569 4.821
136 HD12 LEU 23 2HD1 LEU 23 5.868 3.219 3.461
137 HD13 LEU 23 3HD1 LEU 23 4.765 1.867 3.216
138 HD21 LEU 23 3HD2 LEU 23 4.583 5.041 5.001
139 HD22 LEU 23 1HD2 LEU 23 3.237 5.728 4.092
140 HD23 LEU 23 2HD2 LEU 23 4.837 5.625 3.355
141 H THR 24 H THR 24 5.083 2.030 0.074
142 HA THR 24 HA THR 24 3.531 2.275 -2.387
143 HB THR 24 HB THR 24 5.735 3.004 -3.104
144 HG1 THR 24 HG1 THR 24 4.889 0.439 -3.915
145 HG21 THR 24 3HG2 THR 24 7.692 1.431 -2.996
146 HG22 THR 24 1HG2 THR 24 6.760 0.444 -1.868
147 HG23 THR 24 2HG2 THR 24 7.202 2.096 -1.437
148 H CYS 25 H CYS 25 2.435 0.445 -2.830
149 HA CYS 25 HA CYS 25 2.833 -1.865 -1.121
150 HB2 CYS 25 2HB CYS 25 0.646 -0.729 -2.603
151 HB3 CYS 25 3HB CYS 25 0.840 -2.423 -3.034
152 H ILE 26 H ILE 26 3.973 -3.595 -1.634
153 HA ILE 26 HA ILE 26 4.563 -4.128 -4.471
154 HB ILE 26 HB ILE 26 6.457 -4.608 -2.161
155 HG12 ILE 26 2HG1 ILE 26 6.191 -2.195 -2.538
156 HG13 ILE 26 3HG1 ILE 26 7.796 -2.729 -2.998
157 HG21 ILE 26 1HG2 ILE 26 6.681 -6.146 -4.115
158 HG22 ILE 26 2HG2 ILE 26 8.123 -5.194 -3.755
159 HG23 ILE 26 3HG2 ILE 26 7.080 -4.741 -5.105
160 HD11 ILE 26 3HD1 ILE 26 7.094 -2.667 -5.373
161 HD12 ILE 26 1HD1 ILE 26 6.977 -1.097 -4.577
162 HD13 ILE 26 2HD1 ILE 26 5.522 -2.052 -4.863
163 HA PRO 27 HA PRO 27 4.617 -5.530 -5.983
164 HB2 PRO 27 2HB PRO 27 2.787 -6.977 -7.349
165 HB3 PRO 27 3HB PRO 27 4.369 -7.626 -6.883
166 HG2 PRO 27 2HG PRO 27 1.714 -8.053 -5.604
167 HG3 PRO 27 3HG PRO 27 3.011 -9.222 -5.922
168 HD2 PRO 27 2HD PRO 27 2.601 -8.091 -3.481
169 HD3 PRO 27 3HD PRO 27 4.194 -8.620 -4.053
170 H GLY 28 H GLY 28 1.478 -5.971 -4.438
171 HA2 GLY 28 2HA GLY 28 -0.023 -4.169 -4.057
172 HA3 GLY 28 3HA GLY 28 0.624 -3.361 -5.476
173 H ASN 29 H ASN 29 0.381 -5.984 -7.006
174 HA ASN 29 HA ASN 29 -2.532 -5.824 -7.467
175 HB2 ASN 29 2HB ASN 29 -0.272 -6.359 -9.406
176 HB3 ASN 29 3HB ASN 29 -1.965 -6.619 -9.809
177 HD21 ASN 29 1HD2 ASN 29 -3.331 -4.851 -10.042
178 HD22 ASN 29 2HD2 ASN 29 -2.725 -3.247 -10.256
179 HA PRO 30 HA PRO 30 -4.398 -6.853 -7.252
180 HB2 PRO 30 2HB PRO 30 -5.691 -8.178 -5.251
181 HB3 PRO 30 3HB PRO 30 -5.753 -8.692 -6.947
182 HG2 PRO 30 2HG PRO 30 -4.091 -9.758 -4.716
183 HG3 PRO 30 3HG PRO 30 -4.960 -10.632 -5.995
184 HD2 PRO 30 2HD PRO 30 -2.293 -10.191 -6.094
185 HD3 PRO 30 3HD PRO 30 -3.305 -10.279 -7.549
186 H ASP 31 H ASP 31 -2.298 -7.876 -4.642
187 HA ASP 31 HA ASP 31 -2.397 -5.244 -3.447
188 HB2 ASP 31 2HB ASP 31 -2.783 -6.165 -1.127
189 HB3 ASP 31 3HB ASP 31 -4.196 -6.177 -2.171
190 H GLY 32 H GLY 32 -0.648 -4.798 -2.059
191 HA2 GLY 32 2HA GLY 32 1.445 -6.855 -1.872
192 HA3 GLY 32 3HA GLY 32 1.830 -5.314 -2.626
193 H THR 33 H THR 33 3.483 -5.399 -0.847
194 HA THR 33 HA THR 33 2.422 -4.618 1.764
195 HB THR 33 HB THR 33 5.042 -4.670 2.237
196 HG1 THR 33 HG1 THR 33 5.666 -6.706 0.939
197 HG21 THR 33 3HG2 THR 33 4.775 -6.991 2.988
198 HG22 THR 33 1HG2 THR 33 3.298 -7.123 2.034
199 HG23 THR 33 2HG2 THR 33 3.369 -6.007 3.398
200 H CYS 34 H CYS 34 2.621 -2.670 2.616
201 HA CYS 34 HA CYS 34 3.433 -0.492 0.911
202 HB2 CYS 34 2HB CYS 34 2.236 -0.621 3.677
203 HB3 CYS 34 3HB CYS 34 2.696 0.898 2.918
204 H TYR 35 H TYR 35 5.483 -0.091 0.682
205 HA TYR 35 HA TYR 35 7.262 -0.091 3.027
206 HB2 TYR 35 2HB TYR 35 7.787 -0.652 0.116
207 HB3 TYR 35 3HB TYR 35 9.092 -0.191 1.203
208 HD1 TYR 35 HD1 TYR 35 9.409 -1.626 3.321
209 HD2 TYR 35 HD2 TYR 35 7.137 -2.894 -0.052
210 HE1 TYR 35 HE1 TYR 35 9.636 -3.953 4.051
211 HE2 TYR 35 HE2 TYR 35 7.356 -5.227 0.678
212 HH TYR 35 HH TYR 35 8.859 -6.594 2.064
213 H TYR 36 H TYR 36 8.686 1.628 3.340
214 HA TYR 36 HA TYR 36 7.707 4.174 2.395
215 HB2 TYR 36 2HB TYR 36 9.485 3.236 4.523
216 HB3 TYR 36 3HB TYR 36 10.035 4.727 3.767
217 HD1 TYR 36 HD1 TYR 36 8.275 6.636 3.562
218 HD2 TYR 36 HD2 TYR 36 7.866 3.317 6.196
219 HE1 TYR 36 HE1 TYR 36 6.682 7.919 4.922
220 HE2 TYR 36 HE2 TYR 36 6.266 4.592 7.559
221 HH TYR 36 HH TYR 36 4.851 7.488 6.512
222 H LEU 37 H LEU 37 8.462 5.384 0.807
223 HA LEU 37 HA LEU 37 10.589 4.395 -0.868
224 HB2 LEU 37 2HB LEU 37 8.767 6.786 -1.116
225 HB3 LEU 37 3HB LEU 37 9.987 6.375 -2.303
226 HG LEU 37 HG LEU 37 7.932 4.324 -1.588
227 HD11 LEU 37 1HD1 LEU 37 6.620 6.332 -1.950
228 HD12 LEU 37 2HD1 LEU 37 6.438 5.227 -3.313
229 HD13 LEU 37 3HD1 LEU 37 7.478 6.644 -3.459
230 HD21 LEU 37 3HD2 LEU 37 9.781 3.718 -3.066
231 HD22 LEU 37 1HD2 LEU 37 9.359 5.044 -4.150
232 HD23 LEU 37 2HD2 LEU 37 8.245 3.694 -3.933
Start of MODEL 19
1 H1 PCA 1 H1 PCA 1 -11.043 6.348 3.445
2 HA PCA 1 HA PCA 1 -10.366 3.872 4.164
3 HB2 PCA 1 3HB PCA 1 -12.398 2.801 3.465
4 HB3 PCA 1 2HB PCA 1 -11.582 2.722 1.855
5 HG2 PCA 1 3HG PCA 1 -13.935 3.599 3.456
6 HG3 PCA 1 2HG PCA 1 -13.627 4.121 1.780
7 H GLY 2 H GLY 2 -8.465 3.288 3.208
8 HA2 GLY 2 2HA GLY 2 -7.332 2.900 0.997
9 HA3 GLY 2 3HA GLY 2 -7.763 4.562 0.635
10 H CYS 3 H CYS 3 -6.506 3.197 3.661
11 HA CYS 3 HA CYS 3 -3.942 4.546 3.245
12 HB2 CYS 3 2HB CYS 3 -5.768 5.913 4.626
13 HB3 CYS 3 3HB CYS 3 -5.210 4.874 5.932
14 H ALA 4 H ALA 4 -2.501 2.979 3.457
15 HA ALA 4 HA ALA 4 -2.858 0.987 5.601
16 HB1 ALA 4 3HB ALA 4 -1.064 0.448 3.285
17 HB2 ALA 4 1HB ALA 4 -2.809 0.321 3.059
18 HB3 ALA 4 2HB ALA 4 -2.002 -0.672 4.271
19 H PHE 5 H PHE 5 -1.033 0.360 6.809
20 HA PHE 5 HA PHE 5 1.034 2.420 7.008
21 HB2 PHE 5 2HB PHE 5 -0.405 1.402 8.966
22 HB3 PHE 5 3HB PHE 5 0.786 0.109 8.909
23 HD1 PHE 5 HD1 PHE 5 0.288 3.703 9.544
24 HD2 PHE 5 HD2 PHE 5 2.986 0.417 9.756
25 HE1 PHE 5 HE1 PHE 5 1.797 5.036 10.959
26 HE2 PHE 5 HE2 PHE 5 4.498 1.745 11.170
27 HZ PHE 5 HZ PHE 5 3.905 4.057 11.774
28 H GLU 6 H GLU 6 3.305 1.591 7.601
29 HA GLU 6 HA GLU 6 4.341 0.063 5.470
30 HB2 GLU 6 2HB GLU 6 5.539 1.813 6.892
31 HB3 GLU 6 3HB GLU 6 5.779 0.542 8.078
32 HG2 GLU 6 2HG GLU 6 6.937 -0.773 6.276
33 HG3 GLU 6 3HG GLU 6 6.856 0.672 5.271
34 H GLY 7 H GLY 7 4.917 -2.008 5.250
35 HA2 GLY 7 2HA GLY 7 5.321 -4.239 5.811
36 HA3 GLY 7 3HA GLY 7 4.961 -3.858 7.487
37 H GLU 8 H GLU 8 2.446 -2.569 5.905
38 HA GLU 8 HA GLU 8 0.741 -4.889 6.397
39 HB2 GLU 8 2HB GLU 8 0.350 -2.438 7.239
40 HB3 GLU 8 3HB GLU 8 -0.272 -2.170 5.618
41 HG2 GLU 8 2HG GLU 8 -1.946 -3.894 5.949
42 HG3 GLU 8 3HG GLU 8 -1.297 -4.241 7.551
43 H SER 9 H SER 9 -0.943 -5.463 4.866
44 HA SER 9 HA SER 9 0.006 -5.276 2.107
45 HB2 SER 9 2HB SER 9 -0.428 -7.521 3.139
46 HB3 SER 9 3HB SER 9 -2.136 -7.096 3.233
47 HG SER 9 HG SER 9 -2.219 -7.010 1.007
48 H CYS 10 H CYS 10 -0.848 -3.796 0.836
49 HA CYS 10 HA CYS 10 -3.680 -3.061 1.192
50 HB2 CYS 10 2HB CYS 10 -3.231 -0.822 0.820
51 HB3 CYS 10 3HB CYS 10 -1.784 -1.315 1.688
52 H ASN 11 H ASN 11 -4.863 -2.536 -0.713
53 HA ASN 11 HA ASN 11 -3.927 -3.975 -3.086
54 HB2 ASN 11 2HB ASN 11 -6.724 -3.006 -2.497
55 HB3 ASN 11 3HB ASN 11 -6.236 -4.114 -3.770
56 HD21 ASN 11 1HD2 ASN 11 -6.463 -3.722 -0.289
57 HD22 ASN 11 2HD2 ASN 11 -6.627 -5.403 0.079
58 H VAL 12 H VAL 12 -3.717 -2.983 -5.049
59 HA VAL 12 HA VAL 12 -3.750 -0.066 -4.971
60 HB VAL 12 HB VAL 12 -2.467 -0.110 -7.059
61 HG11 VAL 12 1HG1 VAL 12 -1.236 -0.161 -4.982
62 HG12 VAL 12 2HG1 VAL 12 -0.408 -1.155 -6.184
63 HG13 VAL 12 3HG1 VAL 12 -1.364 -1.919 -4.914
64 HG21 VAL 12 3HG2 VAL 12 -1.793 -2.073 -8.183
65 HG22 VAL 12 1HG2 VAL 12 -3.525 -2.264 -7.897
66 HG23 VAL 12 2HG2 VAL 12 -2.362 -3.111 -6.875
67 H GLU 13 H GLU 13 -6.174 -1.838 -5.242
68 HA GLU 13 HA GLU 13 -7.211 -0.845 -7.813
69 HB2 GLU 13 2HB GLU 13 -8.102 -3.202 -6.145
70 HB3 GLU 13 3HB GLU 13 -8.859 -2.689 -7.642
71 HG2 GLU 13 2HG GLU 13 -5.958 -3.446 -7.560
72 HG3 GLU 13 3HG GLU 13 -7.222 -4.672 -7.672
73 H PHE 14 H PHE 14 -7.732 -0.976 -4.348
74 HA PHE 14 HA PHE 14 -9.816 1.049 -4.551
75 HB2 PHE 14 2HB PHE 14 -11.227 -0.343 -2.858
76 HB3 PHE 14 3HB PHE 14 -11.292 -0.761 -4.564
77 HD1 PHE 14 HD2 PHE 14 -10.231 -2.776 -5.405
78 HD2 PHE 14 HD1 PHE 14 -10.204 -1.823 -1.263
79 HE1 PHE 14 HE2 PHE 14 -9.501 -5.066 -4.889
80 HE2 PHE 14 HE1 PHE 14 -9.466 -4.109 -0.737
81 HZ PHE 14 HZ PHE 14 -9.103 -5.720 -2.556
82 H TYR 15 H TYR 15 -7.919 -1.003 -2.336
83 HA TYR 15 HA TYR 15 -7.834 1.247 -0.432
84 HB2 TYR 15 2HB TYR 15 -8.955 -0.968 0.275
85 HB3 TYR 15 3HB TYR 15 -7.326 -1.622 0.325
86 HD1 TYR 15 HD1 TYR 15 -5.662 -0.648 1.966
87 HD2 TYR 15 HD2 TYR 15 -9.795 0.383 2.030
88 HE1 TYR 15 HE1 TYR 15 -5.410 0.198 4.257
89 HE2 TYR 15 HE2 TYR 15 -9.548 1.237 4.322
90 HH TYR 15 HH TYR 15 -8.054 0.932 6.250
91 HA PRO 16 HA PRO 16 -3.447 0.597 -1.977
92 HB2 PRO 16 2HB PRO 16 -2.890 3.216 -2.464
93 HB3 PRO 16 3HB PRO 16 -3.718 2.187 -3.648
94 HG2 PRO 16 2HG PRO 16 -4.876 4.179 -1.752
95 HG3 PRO 16 3HG PRO 16 -5.261 3.894 -3.462
96 HD2 PRO 16 2HD PRO 16 -6.786 2.926 -1.441
97 HD3 PRO 16 3HD PRO 16 -6.610 2.098 -2.997
98 H CYS 17 H CYS 17 -1.439 2.166 -1.248
99 HA CYS 17 HA CYS 17 -1.288 1.916 1.582
100 HB2 CYS 17 2HB CYS 17 0.567 3.190 -0.440
101 HB3 CYS 17 3HB CYS 17 0.945 3.056 1.269
102 H CYS 18 H CYS 18 -0.082 4.029 2.694
103 HA CYS 18 HA CYS 18 -2.169 6.028 2.791
104 HB2 CYS 18 2HB CYS 18 0.226 5.395 4.475
105 HB3 CYS 18 3HB CYS 18 -0.553 6.967 4.622
106 HA PRO 19 HA PRO 19 0.202 8.679 0.012
107 HB2 PRO 19 2HB PRO 19 -1.699 10.573 -0.359
108 HB3 PRO 19 3HB PRO 19 -1.777 8.983 -1.139
109 HG2 PRO 19 2HG PRO 19 -3.281 10.007 1.204
110 HG3 PRO 19 3HG PRO 19 -3.801 8.905 -0.085
111 HD2 PRO 19 2HD PRO 19 -3.019 8.122 2.456
112 HD3 PRO 19 3HD PRO 19 -3.061 7.070 1.028
113 H GLY 20 H GLY 20 1.145 10.778 0.034
114 HA2 GLY 20 2HA GLY 20 1.668 12.877 0.972
115 HA3 GLY 20 3HA GLY 20 0.749 12.445 2.405
116 H LEU 21 H LEU 21 2.074 9.852 2.712
117 HA LEU 21 HA LEU 21 4.414 10.760 4.146
118 HB2 LEU 21 2HB LEU 21 3.386 7.937 3.897
119 HB3 LEU 21 3HB LEU 21 4.464 8.561 5.120
120 HG LEU 21 HG LEU 21 1.600 9.477 4.846
121 HD11 LEU 21 1HD1 LEU 21 1.678 7.055 5.224
122 HD12 LEU 21 2HD1 LEU 21 1.030 7.926 6.614
123 HD13 LEU 21 3HD1 LEU 21 2.685 7.318 6.648
124 HD21 LEU 21 3HD2 LEU 21 1.898 10.179 7.181
125 HD22 LEU 21 1HD2 LEU 21 3.049 10.979 6.110
126 HD23 LEU 21 2HD2 LEU 21 3.577 9.638 7.127
127 H GLY 22 H GLY 22 3.833 8.100 1.812
128 HA2 GLY 22 2HA GLY 22 5.358 8.296 -0.225
129 HA3 GLY 22 3HA GLY 22 6.647 8.343 0.963
130 H LEU 23 H LEU 23 3.762 6.294 1.140
131 HA LEU 23 HA LEU 23 5.480 3.942 1.289
132 HB2 LEU 23 2HB LEU 23 2.565 4.450 1.849
133 HB3 LEU 23 3HB LEU 23 3.152 2.816 1.657
134 HG LEU 23 HG LEU 23 2.913 3.411 4.009
135 HD11 LEU 23 1HD1 LEU 23 5.854 3.216 3.460
136 HD12 LEU 23 2HD1 LEU 23 4.746 1.868 3.211
137 HD13 LEU 23 3HD1 LEU 23 4.937 2.566 4.819
138 HD21 LEU 23 3HD2 LEU 23 4.824 5.627 3.352
139 HD22 LEU 23 1HD2 LEU 23 4.572 5.039 4.997
140 HD23 LEU 23 2HD2 LEU 23 3.226 5.729 4.092
141 H THR 24 H THR 24 5.078 2.031 0.075
142 HA THR 24 HA THR 24 3.532 2.274 -2.390
143 HB THR 24 HB THR 24 5.738 3.005 -3.103
144 HG1 THR 24 HG1 THR 24 4.547 0.762 -4.031
145 HG21 THR 24 3HG2 THR 24 6.761 0.447 -1.861
146 HG22 THR 24 1HG2 THR 24 7.204 2.100 -1.434
147 HG23 THR 24 2HG2 THR 24 7.696 1.431 -2.990
148 H CYS 25 H CYS 25 2.434 0.447 -2.827
149 HA CYS 25 HA CYS 25 2.832 -1.864 -1.120
150 HB2 CYS 25 2HB CYS 25 0.646 -0.727 -2.600
151 HB3 CYS 25 3HB CYS 25 0.840 -2.419 -3.037
152 H ILE 26 H ILE 26 3.974 -3.592 -1.632
153 HA ILE 26 HA ILE 26 4.565 -4.126 -4.467
154 HB ILE 26 HB ILE 26 6.455 -4.608 -2.155
155 HG12 ILE 26 2HG1 ILE 26 6.194 -2.195 -2.532
156 HG13 ILE 26 3HG1 ILE 26 7.799 -2.729 -2.993
157 HG21 ILE 26 1HG2 ILE 26 6.676 -6.145 -4.114
158 HG22 ILE 26 2HG2 ILE 26 8.121 -5.203 -3.742
159 HG23 ILE 26 3HG2 ILE 26 7.090 -4.738 -5.096
160 HD11 ILE 26 3HD1 ILE 26 5.523 -2.052 -4.858
161 HD12 ILE 26 1HD1 ILE 26 7.097 -2.665 -5.368
162 HD13 ILE 26 2HD1 ILE 26 6.979 -1.096 -4.571
163 HA PRO 27 HA PRO 27 4.615 -5.528 -5.980
164 HB2 PRO 27 2HB PRO 27 2.787 -6.972 -7.346
165 HB3 PRO 27 3HB PRO 27 4.368 -7.623 -6.880
166 HG2 PRO 27 2HG PRO 27 1.713 -8.049 -5.600
167 HG3 PRO 27 3HG PRO 27 3.009 -9.218 -5.920
168 HD2 PRO 27 2HD PRO 27 2.599 -8.090 -3.479
169 HD3 PRO 27 3HD PRO 27 4.193 -8.618 -4.051
170 H GLY 28 H GLY 28 1.476 -5.970 -4.435
171 HA2 GLY 28 2HA GLY 28 -0.025 -4.167 -4.053
172 HA3 GLY 28 3HA GLY 28 0.623 -3.357 -5.470
173 H ASN 29 H ASN 29 0.381 -5.976 -7.005
174 HA ASN 29 HA ASN 29 -2.530 -5.817 -7.468
175 HB2 ASN 29 2HB ASN 29 -0.269 -6.346 -9.407
176 HB3 ASN 29 3HB ASN 29 -1.962 -6.608 -9.811
177 HD21 ASN 29 1HD2 ASN 29 -3.329 -4.840 -10.043
178 HD22 ASN 29 2HD2 ASN 29 -2.725 -3.235 -10.252
179 HA PRO 30 HA PRO 30 -4.397 -6.849 -7.256
180 HB2 PRO 30 2HB PRO 30 -5.688 -8.179 -5.257
181 HB3 PRO 30 3HB PRO 30 -5.750 -8.689 -6.955
182 HG2 PRO 30 2HG PRO 30 -4.088 -9.760 -4.727
183 HG3 PRO 30 3HG PRO 30 -4.956 -10.630 -6.007
184 HD2 PRO 30 2HD PRO 30 -2.291 -10.188 -6.105
185 HD3 PRO 30 3HD PRO 30 -3.302 -10.273 -7.560
186 H ASP 31 H ASP 31 -2.298 -7.875 -4.647
187 HA ASP 31 HA ASP 31 -2.398 -5.245 -3.447
188 HB2 ASP 31 2HB ASP 31 -2.785 -6.171 -1.129
189 HB3 ASP 31 3HB ASP 31 -4.198 -6.180 -2.175
190 H GLY 32 H GLY 32 -0.649 -4.800 -2.059
191 HA2 GLY 32 2HA GLY 32 1.443 -6.858 -1.870
192 HA3 GLY 32 3HA GLY 32 1.828 -5.318 -2.625
193 H THR 33 H THR 33 3.481 -5.395 -0.847
194 HA THR 33 HA THR 33 2.419 -4.615 1.763
195 HB THR 33 HB THR 33 5.039 -4.666 2.236
196 HG1 THR 33 HG1 THR 33 5.602 -6.744 0.920
197 HG21 THR 33 3HG2 THR 33 3.367 -5.998 3.402
198 HG22 THR 33 1HG2 THR 33 4.770 -6.985 2.993
199 HG23 THR 33 2HG2 THR 33 3.292 -7.117 2.041
200 H CYS 34 H CYS 34 2.609 -2.665 2.608
201 HA CYS 34 HA CYS 34 3.424 -0.489 0.902
202 HB2 CYS 34 2HB CYS 34 2.226 -0.613 3.670
203 HB3 CYS 34 3HB CYS 34 2.679 0.904 2.901
204 H TYR 35 H TYR 35 5.477 -0.089 0.678
205 HA TYR 35 HA TYR 35 7.248 -0.085 3.031
206 HB2 TYR 35 2HB TYR 35 7.783 -0.648 0.122
207 HB3 TYR 35 3HB TYR 35 9.084 -0.186 1.213
208 HD1 TYR 35 HD1 TYR 35 9.393 -1.619 3.333
209 HD2 TYR 35 HD2 TYR 35 7.134 -2.891 -0.046
210 HE1 TYR 35 HE1 TYR 35 9.619 -3.945 4.068
211 HE2 TYR 35 HE2 TYR 35 7.350 -5.224 0.688
212 HH TYR 35 HH TYR 35 8.850 -6.589 2.080
213 H TYR 36 H TYR 36 8.667 1.634 3.349
214 HA TYR 36 HA TYR 36 7.692 4.179 2.397
215 HB2 TYR 36 2HB TYR 36 9.446 3.244 4.540
216 HB3 TYR 36 3HB TYR 36 10.023 4.722 3.779
217 HD1 TYR 36 HD1 TYR 36 8.288 6.652 3.544
218 HD2 TYR 36 HD2 TYR 36 7.813 3.358 6.197
219 HE1 TYR 36 HE1 TYR 36 6.702 7.965 4.881
220 HE2 TYR 36 HE2 TYR 36 6.220 4.663 7.539
221 HH TYR 36 HH TYR 36 5.675 7.021 7.973
222 H LEU 37 H LEU 37 8.453 5.389 0.811
223 HA LEU 37 HA LEU 37 10.588 4.400 -0.853
224 HB2 LEU 37 2HB LEU 37 8.766 6.789 -1.112
225 HB3 LEU 37 3HB LEU 37 9.993 6.377 -2.293
226 HG LEU 37 HG LEU 37 7.936 4.325 -1.586
227 HD11 LEU 37 1HD1 LEU 37 7.489 6.641 -3.464
228 HD12 LEU 37 2HD1 LEU 37 6.623 6.332 -1.958
229 HD13 LEU 37 3HD1 LEU 37 6.450 5.224 -3.320
230 HD21 LEU 37 3HD2 LEU 37 8.262 3.692 -3.928
231 HD22 LEU 37 1HD2 LEU 37 9.793 3.718 -3.053
232 HD23 LEU 37 2HD2 LEU 37 9.375 5.042 -4.141
Start of MODEL 20
1 H1 PCA 1 H1 PCA 1 -9.949 7.368 3.242
2 HA PCA 1 HA PCA 1 -10.432 4.808 3.801
3 HB2 PCA 1 3HB PCA 1 -12.607 4.698 2.792
4 HB3 PCA 1 2HB PCA 1 -11.681 4.351 1.280
5 HG2 PCA 1 3HG PCA 1 -13.676 6.057 2.689
6 HG3 PCA 1 2HG PCA 1 -12.957 6.471 1.111
7 H GLY 2 H GLY 2 -8.830 3.521 2.997
8 HA2 GLY 2 2HA GLY 2 -7.422 2.656 1.288
9 HA3 GLY 2 3HA GLY 2 -7.583 4.175 0.420
10 H CYS 3 H CYS 3 -6.548 3.215 3.691
11 HA CYS 3 HA CYS 3 -3.959 4.516 3.223
12 HB2 CYS 3 2HB CYS 3 -5.790 5.890 4.586
13 HB3 CYS 3 3HB CYS 3 -5.233 4.866 5.904
14 H ALA 4 H ALA 4 -2.503 2.973 3.462
15 HA ALA 4 HA ALA 4 -2.847 1.004 5.629
16 HB1 ALA 4 3HB ALA 4 -1.124 0.422 3.266
17 HB2 ALA 4 1HB ALA 4 -2.876 0.278 3.117
18 HB3 ALA 4 2HB ALA 4 -2.009 -0.685 4.314
19 H PHE 5 H PHE 5 -1.029 0.426 6.848
20 HA PHE 5 HA PHE 5 1.060 2.463 6.954
21 HB2 PHE 5 2HB PHE 5 0.244 0.258 8.855
22 HB3 PHE 5 3HB PHE 5 1.658 1.271 9.119
23 HD1 PHE 5 HD2 PHE 5 -1.993 1.143 9.096
24 HD2 PHE 5 HD1 PHE 5 1.423 3.601 9.733
25 HE1 PHE 5 HE2 PHE 5 -3.412 2.824 10.198
26 HE2 PHE 5 HE1 PHE 5 0.010 5.285 10.837
27 HZ PHE 5 HZ PHE 5 -2.411 4.899 11.069
28 H GLU 6 H GLU 6 3.328 1.583 7.622
29 HA GLU 6 HA GLU 6 4.359 0.061 5.472
30 HB2 GLU 6 2HB GLU 6 5.565 1.804 6.907
31 HB3 GLU 6 3HB GLU 6 5.803 0.521 8.079
32 HG2 GLU 6 2HG GLU 6 6.944 -0.784 6.256
33 HG3 GLU 6 3HG GLU 6 6.872 0.677 5.272
34 H GLY 7 H GLY 7 4.934 -2.014 5.261
35 HA2 GLY 7 2HA GLY 7 5.319 -4.245 5.827
36 HA3 GLY 7 3HA GLY 7 4.954 -3.859 7.500
37 H GLU 8 H GLU 8 2.451 -2.559 5.914
38 HA GLU 8 HA GLU 8 0.734 -4.870 6.400
39 HB2 GLU 8 2HB GLU 8 0.353 -2.413 7.233
40 HB3 GLU 8 3HB GLU 8 -0.269 -2.152 5.610
41 HG2 GLU 8 2HG GLU 8 -1.944 -3.876 5.950
42 HG3 GLU 8 3HG GLU 8 -1.298 -4.207 7.558
43 H SER 9 H SER 9 -0.935 -5.457 4.866
44 HA SER 9 HA SER 9 0.018 -5.266 2.108
45 HB2 SER 9 2HB SER 9 -0.408 -7.513 3.139
46 HB3 SER 9 3HB SER 9 -2.118 -7.094 3.232
47 HG SER 9 HG SER 9 -2.274 -7.176 1.070
48 H CYS 10 H CYS 10 -0.841 -3.783 0.841
49 HA CYS 10 HA CYS 10 -3.676 -3.061 1.198
50 HB2 CYS 10 2HB CYS 10 -3.234 -0.820 0.816
51 HB3 CYS 10 3HB CYS 10 -1.792 -1.307 1.694
52 H ASN 11 H ASN 11 -4.862 -2.532 -0.708
53 HA ASN 11 HA ASN 11 -3.927 -3.974 -3.080
54 HB2 ASN 11 2HB ASN 11 -6.724 -3.009 -2.487
55 HB3 ASN 11 3HB ASN 11 -6.238 -4.114 -3.763
56 HD21 ASN 11 1HD2 ASN 11 -6.459 -3.730 -0.280
57 HD22 ASN 11 2HD2 ASN 11 -6.620 -5.412 0.085
58 H VAL 12 H VAL 12 -3.719 -2.984 -5.042
59 HA VAL 12 HA VAL 12 -3.752 -0.068 -4.969
60 HB VAL 12 HB VAL 12 -2.476 -0.115 -7.061
61 HG11 VAL 12 1HG1 VAL 12 -1.234 -0.160 -4.995
62 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.170 -6.190
63 HG13 VAL 12 3HG1 VAL 12 -1.373 -1.917 -4.910
64 HG21 VAL 12 3HG2 VAL 12 -2.370 -3.116 -6.873
65 HG22 VAL 12 1HG2 VAL 12 -1.807 -2.080 -8.185
66 HG23 VAL 12 2HG2 VAL 12 -3.538 -2.272 -7.890
67 H GLU 13 H GLU 13 -6.179 -1.837 -5.231
68 HA GLU 13 HA GLU 13 -7.221 -0.854 -7.803
69 HB2 GLU 13 2HB GLU 13 -8.110 -3.199 -6.118
70 HB3 GLU 13 3HB GLU 13 -8.874 -2.693 -7.616
71 HG2 GLU 13 2HG GLU 13 -5.974 -3.457 -7.541
72 HG3 GLU 13 3HG GLU 13 -7.242 -4.679 -7.643
73 H PHE 14 H PHE 14 -7.735 -0.968 -4.335
74 HA PHE 14 HA PHE 14 -9.814 1.060 -4.542
75 HB2 PHE 14 2HB PHE 14 -11.223 -0.320 -2.839
76 HB3 PHE 14 3HB PHE 14 -11.293 -0.746 -4.544
77 HD1 PHE 14 HD2 PHE 14 -10.236 -2.767 -5.375
78 HD2 PHE 14 HD1 PHE 14 -10.201 -1.794 -1.239
79 HE1 PHE 14 HE2 PHE 14 -9.509 -5.055 -4.849
80 HE2 PHE 14 HE1 PHE 14 -9.465 -4.077 -0.701
81 HZ PHE 14 HZ PHE 14 -9.108 -5.697 -2.514
82 H TYR 15 H TYR 15 -7.918 -0.987 -2.321
83 HA TYR 15 HA TYR 15 -7.817 1.275 -0.432
84 HB2 TYR 15 2HB TYR 15 -8.952 -0.929 0.291
85 HB3 TYR 15 3HB TYR 15 -7.327 -1.590 0.349
86 HD1 TYR 15 HD1 TYR 15 -5.673 -0.654 2.005
87 HD2 TYR 15 HD2 TYR 15 -9.778 0.489 2.012
88 HE1 TYR 15 HE1 TYR 15 -5.422 0.216 4.287
89 HE2 TYR 15 HE2 TYR 15 -9.531 1.365 4.295
90 HH TYR 15 HH TYR 15 -6.513 1.846 5.767
91 HA PRO 16 HA PRO 16 -3.435 0.582 -1.973
92 HB2 PRO 16 2HB PRO 16 -2.859 3.194 -2.475
93 HB3 PRO 16 3HB PRO 16 -3.694 2.163 -3.653
94 HG2 PRO 16 2HG PRO 16 -4.838 4.177 -1.772
95 HG3 PRO 16 3HG PRO 16 -5.225 3.882 -3.479
96 HD2 PRO 16 2HD PRO 16 -6.757 2.940 -1.451
97 HD3 PRO 16 3HD PRO 16 -6.589 2.100 -3.003
98 H CYS 17 H CYS 17 -1.419 2.157 -1.251
99 HA CYS 17 HA CYS 17 -1.268 1.911 1.577
100 HB2 CYS 17 2HB CYS 17 0.583 3.185 -0.446
101 HB3 CYS 17 3HB CYS 17 0.961 3.057 1.264
102 H CYS 18 H CYS 18 -0.085 4.018 2.705
103 HA CYS 18 HA CYS 18 -2.174 6.012 2.792
104 HB2 CYS 18 2HB CYS 18 0.208 5.376 4.489
105 HB3 CYS 18 3HB CYS 18 -0.561 6.955 4.629
106 HA PRO 19 HA PRO 19 0.193 8.680 0.027
107 HB2 PRO 19 2HB PRO 19 -1.713 10.573 -0.334
108 HB3 PRO 19 3HB PRO 19 -1.786 8.987 -1.123
109 HG2 PRO 19 2HG PRO 19 -3.295 9.994 1.223
110 HG3 PRO 19 3HG PRO 19 -3.811 8.898 -0.072
111 HD2 PRO 19 2HD PRO 19 -3.030 8.103 2.467
112 HD3 PRO 19 3HD PRO 19 -3.066 7.059 1.033
113 H GLY 20 H GLY 20 1.121 10.789 0.053
114 HA2 GLY 20 2HA GLY 20 1.642 12.883 1.001
115 HA3 GLY 20 3HA GLY 20 0.726 12.439 2.433
116 H LEU 21 H LEU 21 2.060 9.849 2.724
117 HA LEU 21 HA LEU 21 4.401 10.758 4.157
118 HB2 LEU 21 2HB LEU 21 3.384 7.932 3.901
119 HB3 LEU 21 3HB LEU 21 4.457 8.560 5.128
120 HG LEU 21 HG LEU 21 1.591 9.467 4.856
121 HD11 LEU 21 1HD1 LEU 21 1.673 7.042 5.218
122 HD12 LEU 21 2HD1 LEU 21 1.020 7.902 6.611
123 HD13 LEU 21 3HD1 LEU 21 2.677 7.298 6.644
124 HD21 LEU 21 3HD2 LEU 21 1.885 10.155 7.194
125 HD22 LEU 21 1HD2 LEU 21 3.038 10.962 6.132
126 HD23 LEU 21 2HD2 LEU 21 3.563 9.615 7.141
127 H GLY 22 H GLY 22 3.831 8.085 1.834
128 HA2 GLY 22 2HA GLY 22 5.345 8.296 -0.213
129 HA3 GLY 22 3HA GLY 22 6.638 8.345 0.973
130 H LEU 23 H LEU 23 3.759 6.287 1.152
131 HA LEU 23 HA LEU 23 5.484 3.941 1.293
132 HB2 LEU 23 2HB LEU 23 2.571 4.440 1.868
133 HB3 LEU 23 3HB LEU 23 3.164 2.808 1.676
134 HG LEU 23 HG LEU 23 2.933 3.414 4.030
135 HD11 LEU 23 1HD1 LEU 23 4.962 2.565 4.831
136 HD12 LEU 23 2HD1 LEU 23 5.867 3.199 3.460
137 HD13 LEU 23 3HD1 LEU 23 4.749 1.856 3.232
138 HD21 LEU 23 3HD2 LEU 23 4.617 5.034 5.000
139 HD22 LEU 23 1HD2 LEU 23 3.257 5.727 4.117
140 HD23 LEU 23 2HD2 LEU 23 4.843 5.622 3.353
141 H THR 24 H THR 24 5.062 2.022 0.085
142 HA THR 24 HA THR 24 3.515 2.273 -2.377
143 HB THR 24 HB THR 24 5.718 3.009 -3.095
144 HG1 THR 24 HG1 THR 24 6.105 1.349 -4.678
145 HG21 THR 24 3HG2 THR 24 7.679 1.447 -2.997
146 HG22 THR 24 1HG2 THR 24 6.751 0.435 -1.888
147 HG23 THR 24 2HG2 THR 24 7.183 2.082 -1.428
148 H CYS 25 H CYS 25 2.427 0.442 -2.827
149 HA CYS 25 HA CYS 25 2.827 -1.870 -1.122
150 HB2 CYS 25 2HB CYS 25 0.638 -0.734 -2.602
151 HB3 CYS 25 3HB CYS 25 0.833 -2.427 -3.035
152 H ILE 26 H ILE 26 3.970 -3.596 -1.639
153 HA ILE 26 HA ILE 26 4.557 -4.125 -4.476
154 HB ILE 26 HB ILE 26 6.454 -4.605 -2.167
155 HG12 ILE 26 2HG1 ILE 26 6.187 -2.192 -2.545
156 HG13 ILE 26 3HG1 ILE 26 7.792 -2.724 -3.006
157 HG21 ILE 26 1HG2 ILE 26 6.670 -6.140 -4.132
158 HG22 ILE 26 2HG2 ILE 26 8.116 -5.202 -3.754
159 HG23 ILE 26 3HG2 ILE 26 7.089 -4.729 -5.108
160 HD11 ILE 26 3HD1 ILE 26 5.516 -2.051 -4.870
161 HD12 ILE 26 1HD1 ILE 26 7.089 -2.662 -5.379
162 HD13 ILE 26 2HD1 ILE 26 6.969 -1.093 -4.584
163 HA PRO 27 HA PRO 27 4.609 -5.525 -5.991
164 HB2 PRO 27 2HB PRO 27 2.778 -6.971 -7.354
165 HB3 PRO 27 3HB PRO 27 4.362 -7.620 -6.893
166 HG2 PRO 27 2HG PRO 27 1.709 -8.050 -5.609
167 HG3 PRO 27 3HG PRO 27 3.007 -9.218 -5.931
168 HD2 PRO 27 2HD PRO 27 2.600 -8.092 -3.489
169 HD3 PRO 27 3HD PRO 27 4.194 -8.617 -4.064
170 H GLY 28 H GLY 28 1.472 -5.973 -4.443
171 HA2 GLY 28 2HA GLY 28 -0.029 -4.171 -4.055
172 HA3 GLY 28 3HA GLY 28 0.615 -3.360 -5.474
173 H ASN 29 H ASN 29 0.371 -5.981 -7.007
174 HA ASN 29 HA ASN 29 -2.541 -5.821 -7.465
175 HB2 ASN 29 2HB ASN 29 -0.284 -6.353 -9.407
176 HB3 ASN 29 3HB ASN 29 -1.978 -6.613 -9.809
177 HD21 ASN 29 1HD2 ASN 29 -3.344 -4.843 -10.037
178 HD22 ASN 29 2HD2 ASN 29 -2.738 -3.239 -10.249
179 HA PRO 30 HA PRO 30 -4.408 -6.851 -7.248
180 HB2 PRO 30 2HB PRO 30 -5.696 -8.180 -5.247
181 HB3 PRO 30 3HB PRO 30 -5.761 -8.691 -6.944
182 HG2 PRO 30 2HG PRO 30 -4.096 -9.761 -4.718
183 HG3 PRO 30 3HG PRO 30 -4.966 -10.632 -5.997
184 HD2 PRO 30 2HD PRO 30 -2.300 -10.190 -6.099
185 HD3 PRO 30 3HD PRO 30 -3.313 -10.277 -7.553
186 H ASP 31 H ASP 31 -2.303 -7.877 -4.642
187 HA ASP 31 HA ASP 31 -2.401 -5.247 -3.443
188 HB2 ASP 31 2HB ASP 31 -2.782 -6.173 -1.124
189 HB3 ASP 31 3HB ASP 31 -4.197 -6.183 -2.166
190 H GLY 32 H GLY 32 -0.650 -4.802 -2.058
191 HA2 GLY 32 2HA GLY 32 1.445 -6.857 -1.877
192 HA3 GLY 32 3HA GLY 32 1.826 -5.316 -2.630
193 H THR 33 H THR 33 3.483 -5.400 -0.854
194 HA THR 33 HA THR 33 2.426 -4.622 1.759
195 HB THR 33 HB THR 33 5.046 -4.673 2.229
196 HG1 THR 33 HG1 THR 33 5.199 -5.346 -0.164
197 HG21 THR 33 3HG2 THR 33 3.303 -7.127 2.027
198 HG22 THR 33 1HG2 THR 33 3.377 -6.012 3.392
199 HG23 THR 33 2HG2 THR 33 4.782 -6.995 2.978
200 H CYS 34 H CYS 34 2.623 -2.675 2.611
201 HA CYS 34 HA CYS 34 3.432 -0.496 0.905
202 HB2 CYS 34 2HB CYS 34 2.230 -0.629 3.670
203 HB3 CYS 34 3HB CYS 34 2.688 0.893 2.911
204 H TYR 35 H TYR 35 5.486 -0.091 0.681
205 HA TYR 35 HA TYR 35 7.256 -0.092 3.035
206 HB2 TYR 35 2HB TYR 35 7.794 -0.650 0.125
207 HB3 TYR 35 3HB TYR 35 9.094 -0.191 1.220
208 HD1 TYR 35 HD1 TYR 35 9.393 -1.630 3.340
209 HD2 TYR 35 HD2 TYR 35 7.149 -2.891 -0.055
210 HE1 TYR 35 HE1 TYR 35 9.616 -3.959 4.067
211 HE2 TYR 35 HE2 TYR 35 7.363 -5.227 0.672
212 HH TYR 35 HH TYR 35 8.452 -6.107 3.761
213 H TYR 36 H TYR 36 8.682 1.627 3.350
214 HA TYR 36 HA TYR 36 7.703 4.171 2.409
215 HB2 TYR 36 2HB TYR 36 9.494 3.239 4.526
216 HB3 TYR 36 3HB TYR 36 10.044 4.724 3.759
217 HD1 TYR 36 HD2 TYR 36 8.275 6.633 3.547
218 HD2 TYR 36 HD1 TYR 36 7.896 3.338 6.216
219 HE1 TYR 36 HE2 TYR 36 6.690 7.925 4.909
220 HE2 TYR 36 HE1 TYR 36 6.307 4.622 7.582
221 HH TYR 36 HH TYR 36 4.870 7.496 6.521
222 H LEU 37 H LEU 37 8.433 5.374 0.815
223 HA LEU 37 HA LEU 37 10.603 4.390 -0.831
224 HB2 LEU 37 2HB LEU 37 8.200 5.501 -1.433
225 HB3 LEU 37 3HB LEU 37 9.247 6.899 -1.578
226 HG LEU 37 HG LEU 37 10.685 5.266 -3.076
227 HD11 LEU 37 1HD1 LEU 37 9.283 3.739 -4.367
228 HD12 LEU 37 2HD1 LEU 37 7.906 4.119 -3.333
229 HD13 LEU 37 3HD1 LEU 37 9.310 3.290 -2.661
230 HD21 LEU 37 3HD2 LEU 37 9.471 6.101 -5.037
231 HD22 LEU 37 1HD2 LEU 37 9.714 7.361 -3.827
232 HD23 LEU 37 2HD2 LEU 37 8.136 6.591 -3.992