NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
545533 |
2ljs   |
17956 | 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 H PCA 1 2.307 6.164 8.173
2 HA PCA 1 HA PCA 1 3.335 8.158 7.133
3 HB2 PCA 1 1HB PCA 1 4.973 8.960 9.356
4 HB3 PCA 1 2HB PCA 1 3.534 9.794 8.738
5 HG2 PCA 1 1HG PCA 1 3.806 8.308 11.183
6 HG3 PCA 1 2HG PCA 1 2.353 9.119 10.547
7 H ARG 2 H ARG 2 4.057 5.339 7.434
8 HA ARG 2 HA ARG 2 6.888 5.216 7.892
9 HB2 ARG 2 2HB ARG 2 5.002 3.146 6.765
10 HB3 ARG 2 1HB ARG 2 6.667 2.856 7.248
11 HG2 ARG 2 2HG ARG 2 4.359 3.606 9.024
12 HG3 ARG 2 1HG ARG 2 5.231 2.072 8.981
13 HD2 ARG 2 2HD ARG 2 7.272 3.232 9.714
14 HD3 ARG 2 1HD ARG 2 6.372 4.745 9.794
15 HE ARG 2 HE ARG 2 5.444 4.064 11.772
16 HH11 ARG 2 1HH1 ARG 2 7.093 1.352 10.270
17 HH12 ARG 2 2HH1 ARG 2 6.809 0.288 11.618
18 HH21 ARG 2 1HH2 ARG 2 5.078 2.659 13.542
19 HH22 ARG 2 2HH2 ARG 2 5.664 1.032 13.478
20 H ALA 3 H ALA 3 8.457 4.577 6.311
21 HA ALA 3 HA ALA 3 8.249 6.014 3.884
22 HB1 ALA 3 1HB ALA 3 10.391 4.953 3.300
23 HB2 ALA 3 2HB ALA 3 10.241 3.905 4.711
24 HB3 ALA 3 3HB ALA 3 10.406 5.649 4.921
25 H CYS 4 H CYS 4 7.681 5.380 1.872
26 HA CYS 4 HA CYS 4 7.420 2.596 1.187
27 HB2 CYS 4 2HB CYS 4 5.343 2.701 2.288
28 HB3 CYS 4 1HB CYS 4 5.018 4.333 1.710
29 HA PRO 5 HA PRO 5 8.176 4.545 -2.746
30 HB2 PRO 5 2HB PRO 5 8.067 2.294 -4.261
31 HB3 PRO 5 1HB PRO 5 9.471 2.720 -3.280
32 HG2 PRO 5 2HG PRO 5 7.303 0.747 -2.737
33 HG3 PRO 5 1HG PRO 5 9.032 0.647 -2.364
34 HD2 PRO 5 2HD PRO 5 7.089 1.287 -0.529
35 HD3 PRO 5 1HD PRO 5 8.790 1.770 -0.389
36 H ARG 6 H ARG 6 6.694 5.522 -3.996
37 HA ARG 6 HA ARG 6 3.959 4.787 -3.782
38 HB2 ARG 6 2HB ARG 6 5.437 6.936 -5.236
39 HB3 ARG 6 1HB ARG 6 3.761 6.613 -5.655
40 HG2 ARG 6 2HG ARG 6 3.816 8.378 -4.044
41 HG3 ARG 6 1HG ARG 6 3.153 6.938 -3.271
42 HD2 ARG 6 2HD ARG 6 5.586 6.518 -2.501
43 HD3 ARG 6 1HD ARG 6 5.842 8.215 -2.904
44 HE ARG 6 HE ARG 6 4.674 8.802 -1.027
45 HH11 ARG 6 1HH1 ARG 6 4.148 5.395 -1.656
46 HH12 ARG 6 2HH1 ARG 6 3.197 5.148 -0.225
47 HH21 ARG 6 1HH2 ARG 6 3.407 8.452 0.873
48 HH22 ARG 6 2HH2 ARG 6 2.751 6.867 1.185
49 H ILE 7 H ILE 7 2.942 3.313 -4.835
50 HA ILE 7 HA ILE 7 3.434 2.855 -7.659
51 HB ILE 7 HB ILE 7 4.941 1.271 -6.387
52 HG12 ILE 7 2HG1 ILE 7 2.750 -0.010 -8.037
53 HG13 ILE 7 1HG1 ILE 7 4.159 0.817 -8.691
54 HG21 ILE 7 1HG2 ILE 7 3.548 0.814 -4.478
55 HG22 ILE 7 2HG2 ILE 7 3.855 -0.693 -5.342
56 HG23 ILE 7 3HG2 ILE 7 2.299 0.121 -5.515
57 HD11 ILE 7 3HD1 ILE 7 4.092 -1.789 -8.478
58 HD12 ILE 7 1HD1 ILE 7 4.581 -1.452 -6.817
59 HD13 ILE 7 2HD1 ILE 7 5.577 -0.893 -8.162
60 H LEU 8 H LEU 8 1.677 1.782 -8.671
61 HA LEU 8 HA LEU 8 -0.810 2.154 -7.221
62 HB2 LEU 8 2HB LEU 8 -0.179 1.801 -10.136
63 HB3 LEU 8 1HB LEU 8 -1.823 1.786 -9.524
64 HG LEU 8 HG LEU 8 -0.051 4.093 -8.867
65 HD11 LEU 8 1HD1 LEU 8 -1.093 5.177 -10.952
66 HD12 LEU 8 2HD1 LEU 8 -1.353 3.524 -11.508
67 HD13 LEU 8 3HD1 LEU 8 0.283 4.097 -11.183
68 HD21 LEU 8 3HD2 LEU 8 -1.984 4.503 -7.793
69 HD22 LEU 8 1HD2 LEU 8 -2.921 3.450 -8.853
70 HD23 LEU 8 2HD2 LEU 8 -2.500 5.081 -9.378
71 H LYS 9 H LYS 9 -0.423 0.235 -5.893
72 HA LYS 9 HA LYS 9 -1.296 -2.194 -7.324
73 HB2 LYS 9 2HB LYS 9 0.986 -2.552 -6.638
74 HB3 LYS 9 1HB LYS 9 0.659 -1.935 -5.027
75 HG2 LYS 9 2HG LYS 9 -0.895 -4.309 -5.873
76 HG3 LYS 9 1HG LYS 9 0.833 -4.540 -5.593
77 HD2 LYS 9 2HD LYS 9 0.477 -3.341 -3.381
78 HD3 LYS 9 1HD LYS 9 -1.249 -3.535 -3.669
79 HE2 LYS 9 2HE LYS 9 0.657 -5.856 -3.684
80 HE3 LYS 9 1HE LYS 9 -0.099 -5.267 -2.208
81 HZ1 LYS 9 3HZ LYS 9 -1.281 -6.705 -4.446
82 HZ2 LYS 9 1HZ LYS 9 -2.246 -5.535 -3.693
83 HZ3 LYS 9 2HZ LYS 9 -1.605 -6.817 -2.788
84 H LYS 10 H LYS 10 -3.251 -2.875 -6.693
85 HA LYS 10 HA LYS 10 -4.651 -1.592 -4.599
86 HB2 LYS 10 2HB LYS 10 -5.236 -3.869 -6.417
87 HB3 LYS 10 1HB LYS 10 -6.187 -3.746 -4.943
88 HG2 LYS 10 2HG LYS 10 -6.485 -1.265 -5.701
89 HG3 LYS 10 1HG LYS 10 -6.082 -1.914 -7.288
90 HD2 LYS 10 2HD LYS 10 -8.470 -1.924 -7.041
91 HD3 LYS 10 1HD LYS 10 -7.901 -3.594 -6.984
92 HE2 LYS 10 2HE LYS 10 -9.609 -3.113 -5.267
93 HE3 LYS 10 1HE LYS 10 -8.067 -3.610 -4.573
94 HZ1 LYS 10 3HZ LYS 10 -9.113 -1.694 -3.434
95 HZ2 LYS 10 1HZ LYS 10 -8.928 -0.780 -4.845
96 HZ3 LYS 10 2HZ LYS 10 -7.564 -1.352 -4.022
97 H CYS 11 H CYS 11 -4.694 -1.959 -2.527
98 HA CYS 11 HA CYS 11 -3.302 -4.311 -1.498
99 HB2 CYS 11 2HB CYS 11 -3.350 -2.993 0.660
100 HB3 CYS 11 1HB CYS 11 -2.405 -2.290 -0.647
101 H ARG 12 H ARG 12 -4.180 -5.738 -0.166
102 HA ARG 12 HA ARG 12 -7.090 -5.610 0.266
103 HB2 ARG 12 2HB ARG 12 -5.183 -7.963 0.387
104 HB3 ARG 12 1HB ARG 12 -6.926 -8.049 0.606
105 HG2 ARG 12 2HG ARG 12 -7.354 -7.625 -1.637
106 HG3 ARG 12 1HG ARG 12 -5.750 -6.945 -1.912
107 HD2 ARG 12 2HD ARG 12 -6.250 -9.835 -1.223
108 HD3 ARG 12 1HD ARG 12 -6.101 -9.232 -2.874
109 HE ARG 12 HE ARG 12 -3.858 -8.339 -1.509
110 HH11 ARG 12 1HH1 ARG 12 -5.269 -11.423 -2.398
111 HH12 ARG 12 2HH1 ARG 12 -3.747 -12.245 -2.477
112 HH21 ARG 12 1HH2 ARG 12 -1.843 -9.406 -1.611
113 HH22 ARG 12 2HH2 ARG 12 -1.790 -11.096 -2.027
114 H ARG 13 H ARG 13 -4.338 -4.815 1.670
115 HA ARG 13 HA ARG 13 -5.113 -4.231 4.197
116 HB2 ARG 13 2HB ARG 13 -4.013 -6.016 5.577
117 HB3 ARG 13 1HB ARG 13 -5.490 -6.528 4.782
118 HG2 ARG 13 2HG ARG 13 -3.879 -7.410 2.939
119 HG3 ARG 13 1HG ARG 13 -2.665 -7.308 4.219
120 HD2 ARG 13 2HD ARG 13 -3.699 -9.538 4.080
121 HD3 ARG 13 1HD ARG 13 -3.991 -8.756 5.634
122 HE ARG 13 HE ARG 13 -6.134 -8.146 3.946
123 HH11 ARG 13 1HH1 ARG 13 -4.741 -10.949 5.515
124 HH12 ARG 13 2HH1 ARG 13 -6.251 -11.783 5.659
125 HH21 ARG 13 1HH2 ARG 13 -8.131 -9.235 4.135
126 HH22 ARG 13 2HH2 ARG 13 -8.191 -10.802 4.870
127 H ASP 14 H ASP 14 -3.202 -3.771 5.633
128 HA ASP 14 HA ASP 14 -1.182 -2.470 4.193
129 HB2 ASP 14 2HB ASP 14 -1.256 -3.334 7.089
130 HB3 ASP 14 1HB ASP 14 0.003 -2.312 6.408
131 H SER 15 H SER 15 -1.268 -5.638 5.698
132 HA SER 15 HA SER 15 1.439 -6.322 5.356
133 HB2 SER 15 2HB SER 15 -0.043 -7.537 6.881
134 HB3 SER 15 1HB SER 15 -0.999 -8.110 5.516
135 HG SER 15 HG SER 15 1.472 -8.771 4.972
136 H ASP 16 H ASP 16 -1.138 -6.075 3.122
137 HA ASP 16 HA ASP 16 -0.082 -7.912 1.155
138 HB2 ASP 16 2HB ASP 16 -2.518 -7.375 1.386
139 HB3 ASP 16 1HB ASP 16 -2.172 -5.736 0.858
140 H CYS 17 H CYS 17 0.457 -4.724 2.155
141 HA CYS 17 HA CYS 17 1.540 -3.811 -0.372
142 HB2 CYS 17 2HB CYS 17 1.164 -2.519 2.324
143 HB3 CYS 17 1HB CYS 17 2.013 -1.726 1.006
144 HA PRO 18 HA PRO 18 5.671 -5.059 0.484
145 HB2 PRO 18 2HB PRO 18 7.012 -3.342 -1.130
146 HB3 PRO 18 1HB PRO 18 6.087 -4.718 -1.743
147 HG2 PRO 18 2HG PRO 18 5.317 -1.830 -1.598
148 HG3 PRO 18 1HG PRO 18 5.051 -2.997 -2.908
149 HD2 PRO 18 2HD PRO 18 3.115 -2.299 -1.136
150 HD3 PRO 18 1HD PRO 18 3.196 -3.901 -1.890
151 H GLY 19 H GLY 19 7.393 -4.559 1.765
152 HA2 GLY 19 2HA GLY 19 8.610 -3.456 3.368
153 HA3 GLY 19 1HA GLY 19 8.339 -2.009 2.405
154 H GLU 20 H GLU 20 7.681 -0.456 3.743
155 HA GLU 20 HA GLU 20 5.788 -1.147 5.864
156 HB2 GLU 20 2HB GLU 20 7.478 1.325 5.472
157 HB3 GLU 20 1HB GLU 20 6.345 1.087 6.795
158 HG2 GLU 20 2HG GLU 20 7.688 -0.969 7.396
159 HG3 GLU 20 1HG GLU 20 8.899 -0.389 6.252
160 H CYS 21 H CYS 21 5.114 -0.825 2.983
161 HA CYS 21 HA CYS 21 3.720 1.641 2.677
162 HB2 CYS 21 2HB CYS 21 3.562 -0.996 1.230
163 HB3 CYS 21 1HB CYS 21 2.553 0.380 0.793
164 H ILE 22 H ILE 22 1.534 2.093 2.921
165 HA ILE 22 HA ILE 22 0.054 0.117 4.537
166 HB ILE 22 HB ILE 22 -1.182 2.001 5.531
167 HG12 ILE 22 2HG1 ILE 22 0.821 3.747 4.077
168 HG13 ILE 22 1HG1 ILE 22 -0.884 3.606 3.668
169 HG21 ILE 22 1HG2 ILE 22 0.515 2.676 7.061
170 HG22 ILE 22 2HG2 ILE 22 1.788 2.391 5.873
171 HG23 ILE 22 3HG2 ILE 22 0.894 1.029 6.552
172 HD11 ILE 22 3HD1 ILE 22 0.252 5.464 5.350
173 HD12 ILE 22 1HD1 ILE 22 -0.482 4.300 6.452
174 HD13 ILE 22 2HD1 ILE 22 -1.464 5.086 5.216
175 H CYS 23 H CYS 23 -2.259 0.060 4.260
176 HA CYS 23 HA CYS 23 -2.947 0.249 1.469
177 HB2 CYS 23 2HB CYS 23 -3.646 -1.596 3.103
178 HB3 CYS 23 1HB CYS 23 -4.828 -0.449 3.722
179 H LYS 24 H LYS 24 -3.335 2.212 0.686
180 HA LYS 24 HA LYS 24 -4.382 4.381 2.183
181 HB2 LYS 24 2HB LYS 24 -4.264 4.004 -0.813
182 HB3 LYS 24 1HB LYS 24 -4.566 5.524 0.014
183 HG2 LYS 24 2HG LYS 24 -2.363 5.495 0.965
184 HG3 LYS 24 1HG LYS 24 -2.059 3.900 0.273
185 HD2 LYS 24 2HD LYS 24 -1.003 5.614 -1.085
186 HD3 LYS 24 1HD LYS 24 -2.313 4.844 -1.981
187 HE2 LYS 24 2HE LYS 24 -3.782 6.725 -1.436
188 HE3 LYS 24 1HE LYS 24 -2.466 7.494 -0.551
189 HZ1 LYS 24 3HZ LYS 24 -1.366 6.995 -2.968
190 HZ2 LYS 24 1HZ LYS 24 -2.020 8.479 -2.486
191 HZ3 LYS 24 2HZ LYS 24 -2.956 7.392 -3.381
192 H GLY 25 H GLY 25 -6.388 5.488 1.849
193 HA2 GLY 25 2HA GLY 25 -8.659 3.948 2.176
194 HA3 GLY 25 1HA GLY 25 -8.666 5.637 1.706
195 H ASN 26 H ASN 26 -7.279 5.124 -0.846
196 HA ASN 26 HA ASN 26 -9.611 4.500 -2.387
197 HB2 ASN 26 2HB ASN 26 -8.330 5.061 -4.334
198 HB3 ASN 26 1HB ASN 26 -7.939 6.227 -3.077
199 HD21 ASN 26 1HD2 ASN 26 -6.681 4.380 -5.444
200 HD22 ASN 26 2HD2 ASN 26 -5.053 4.235 -4.885
201 H GLY 27 H GLY 27 -7.372 2.582 -0.895
202 HA2 GLY 27 2HA GLY 27 -7.355 0.255 -0.915
203 HA3 GLY 27 1HA GLY 27 -8.248 0.277 -2.426
204 H TYR 28 H TYR 28 -5.319 2.100 -1.958
205 HA TYR 28 HA TYR 28 -3.828 0.132 -3.548
206 HB2 TYR 28 2HB TYR 28 -4.031 3.086 -4.032
207 HB3 TYR 28 1HB TYR 28 -2.567 2.217 -4.469
208 HD1 TYR 28 1HD TYR 28 -6.177 1.278 -4.810
209 HD2 TYR 28 2HD TYR 28 -2.481 2.081 -6.762
210 HE1 TYR 28 1HE TYR 28 -7.164 0.607 -6.950
211 HE2 TYR 28 2HE TYR 28 -3.464 1.402 -8.897
212 HH TYR 28 HH TYR 28 -5.362 0.870 -9.977
213 H CYS 29 H CYS 29 -1.556 0.244 -3.248
214 HA CYS 29 HA CYS 29 -0.873 0.650 -0.492
215 HB2 CYS 29 2HB CYS 29 0.699 -0.218 -2.916
216 HB3 CYS 29 1HB CYS 29 1.435 -0.057 -1.317
217 H GLY 30 H GLY 30 -0.033 2.368 0.454
218 HA2 GLY 30 2HA GLY 30 1.651 4.211 -1.014
219 HA3 GLY 30 1HA GLY 30 0.092 4.868 -0.528
Start of MODEL 2
1 H1 PCA 1 H PCA 1 4.706 7.240 9.848
2 HA PCA 1 HA PCA 1 6.671 8.375 8.906
3 HB2 PCA 1 1HB PCA 1 8.707 7.084 10.458
4 HB3 PCA 1 2HB PCA 1 8.141 8.755 10.638
5 HG2 PCA 1 1HG PCA 1 7.696 6.543 12.413
6 HG3 PCA 1 2HG PCA 1 7.083 8.209 12.566
7 H ARG 2 H ARG 2 5.274 5.795 8.490
8 HA ARG 2 HA ARG 2 7.060 3.719 7.889
9 HB2 ARG 2 2HB ARG 2 4.228 4.371 7.243
10 HB3 ARG 2 1HB ARG 2 5.015 3.124 6.292
11 HG2 ARG 2 2HG ARG 2 3.657 2.437 8.360
12 HG3 ARG 2 1HG ARG 2 5.232 1.701 8.098
13 HD2 ARG 2 2HD ARG 2 5.077 4.156 9.772
14 HD3 ARG 2 1HD ARG 2 4.523 2.630 10.462
15 HE ARG 2 HE ARG 2 7.003 2.131 9.315
16 HH11 ARG 2 1HH1 ARG 2 5.767 4.174 11.900
17 HH12 ARG 2 2HH1 ARG 2 7.234 4.080 12.815
18 HH21 ARG 2 1HH2 ARG 2 8.884 2.011 10.485
19 HH22 ARG 2 2HH2 ARG 2 9.029 2.851 12.004
20 H ALA 3 H ALA 3 8.378 3.391 6.240
21 HA ALA 3 HA ALA 3 8.542 5.383 4.145
22 HB1 ALA 3 1HB ALA 3 10.529 4.147 3.422
23 HB2 ALA 3 2HB ALA 3 10.192 2.908 4.632
24 HB3 ALA 3 3HB ALA 3 10.589 4.550 5.138
25 H CYS 4 H CYS 4 7.904 5.188 2.108
26 HA CYS 4 HA CYS 4 7.354 2.636 0.898
27 HB2 CYS 4 2HB CYS 4 5.253 3.029 2.137
28 HB3 CYS 4 1HB CYS 4 5.083 4.596 1.352
29 HA PRO 5 HA PRO 5 8.685 5.150 -2.513
30 HB2 PRO 5 2HB PRO 5 8.330 3.347 -4.487
31 HB3 PRO 5 1HB PRO 5 9.639 3.210 -3.310
32 HG2 PRO 5 2HG PRO 5 7.001 1.801 -3.378
33 HG3 PRO 5 1HG PRO 5 8.608 1.147 -3.016
34 HD2 PRO 5 2HD PRO 5 6.806 1.797 -1.089
35 HD3 PRO 5 1HD PRO 5 8.562 1.896 -0.844
36 H ARG 6 H ARG 6 7.504 4.505 -5.104
37 HA ARG 6 HA ARG 6 4.796 5.577 -4.724
38 HB2 ARG 6 2HB ARG 6 6.857 6.496 -6.736
39 HB3 ARG 6 1HB ARG 6 5.161 6.958 -6.784
40 HG2 ARG 6 2HG ARG 6 7.034 7.532 -4.495
41 HG3 ARG 6 1HG ARG 6 6.614 8.675 -5.772
42 HD2 ARG 6 2HD ARG 6 4.277 8.589 -5.110
43 HD3 ARG 6 1HD ARG 6 4.648 7.384 -3.879
44 HE ARG 6 HE ARG 6 5.108 10.233 -3.738
45 HH11 ARG 6 1HH1 ARG 6 5.803 7.092 -2.341
46 HH12 ARG 6 2HH1 ARG 6 6.453 7.750 -0.874
47 HH21 ARG 6 1HH2 ARG 6 5.958 11.100 -1.800
48 HH22 ARG 6 2HH2 ARG 6 6.538 10.032 -0.566
49 H ILE 7 H ILE 7 3.648 3.813 -5.185
50 HA ILE 7 HA ILE 7 3.697 2.840 -7.914
51 HB ILE 7 HB ILE 7 5.284 1.369 -6.600
52 HG12 ILE 7 2HG1 ILE 7 2.813 -0.005 -7.681
53 HG13 ILE 7 1HG1 ILE 7 4.134 0.614 -8.667
54 HG21 ILE 7 1HG2 ILE 7 4.282 -0.289 -5.077
55 HG22 ILE 7 2HG2 ILE 7 2.740 0.560 -5.200
56 HG23 ILE 7 3HG2 ILE 7 4.134 1.361 -4.473
57 HD11 ILE 7 3HD1 ILE 7 4.703 -1.372 -6.517
58 HD12 ILE 7 1HD1 ILE 7 5.575 -1.056 -8.017
59 HD13 ILE 7 2HD1 ILE 7 4.029 -1.904 -8.056
60 H LEU 8 H LEU 8 1.744 1.652 -8.432
61 HA LEU 8 HA LEU 8 -0.406 2.133 -6.486
62 HB2 LEU 8 2HB LEU 8 -0.441 2.377 -9.488
63 HB3 LEU 8 1HB LEU 8 -1.903 2.297 -8.524
64 HG LEU 8 HG LEU 8 0.208 4.398 -8.146
65 HD11 LEU 8 1HD1 LEU 8 -1.427 5.901 -9.298
66 HD12 LEU 8 2HD1 LEU 8 -2.301 4.452 -9.801
67 HD13 LEU 8 3HD1 LEU 8 -0.644 4.717 -10.346
68 HD21 LEU 8 3HD2 LEU 8 -2.645 4.260 -7.210
69 HD22 LEU 8 1HD2 LEU 8 -1.508 5.576 -6.910
70 HD23 LEU 8 2HD2 LEU 8 -1.220 3.983 -6.208
71 H LYS 9 H LYS 9 -0.899 0.266 -5.618
72 HA LYS 9 HA LYS 9 -1.623 -1.957 -7.362
73 HB2 LYS 9 2HB LYS 9 0.695 -2.420 -6.734
74 HB3 LYS 9 1HB LYS 9 0.316 -2.171 -5.038
75 HG2 LYS 9 2HG LYS 9 -1.273 -4.244 -6.397
76 HG3 LYS 9 1HG LYS 9 0.449 -4.584 -6.229
77 HD2 LYS 9 2HD LYS 9 0.314 -4.228 -3.833
78 HD3 LYS 9 1HD LYS 9 -1.388 -3.785 -3.972
79 HE2 LYS 9 2HE LYS 9 -1.906 -6.030 -4.782
80 HE3 LYS 9 1HE LYS 9 -0.204 -6.478 -4.652
81 HZ1 LYS 9 3HZ LYS 9 -1.087 -7.272 -2.692
82 HZ2 LYS 9 1HZ LYS 9 -2.168 -5.985 -2.521
83 HZ3 LYS 9 2HZ LYS 9 -0.522 -5.756 -2.203
84 H LYS 10 H LYS 10 -3.543 -2.752 -6.754
85 HA LYS 10 HA LYS 10 -4.937 -1.697 -4.535
86 HB2 LYS 10 2HB LYS 10 -5.511 -3.913 -6.478
87 HB3 LYS 10 1HB LYS 10 -6.568 -3.638 -5.095
88 HG2 LYS 10 2HG LYS 10 -6.984 -1.374 -5.818
89 HG3 LYS 10 1HG LYS 10 -5.856 -1.564 -7.158
90 HD2 LYS 10 2HD LYS 10 -7.296 -3.285 -8.127
91 HD3 LYS 10 1HD LYS 10 -8.418 -3.111 -6.773
92 HE2 LYS 10 2HE LYS 10 -8.830 -0.799 -7.381
93 HE3 LYS 10 1HE LYS 10 -7.658 -0.913 -8.692
94 HZ1 LYS 10 3HZ LYS 10 -10.395 -1.633 -8.680
95 HZ2 LYS 10 1HZ LYS 10 -9.448 -2.975 -9.086
96 HZ3 LYS 10 2HZ LYS 10 -9.322 -1.547 -9.982
97 H CYS 11 H CYS 11 -4.988 -2.291 -2.497
98 HA CYS 11 HA CYS 11 -3.695 -4.832 -1.771
99 HB2 CYS 11 2HB CYS 11 -3.404 -3.624 0.479
100 HB3 CYS 11 1HB CYS 11 -2.399 -3.108 -0.870
101 H ARG 12 H ARG 12 -4.568 -6.163 -0.249
102 HA ARG 12 HA ARG 12 -7.420 -5.736 0.334
103 HB2 ARG 12 2HB ARG 12 -5.725 -8.237 0.553
104 HB3 ARG 12 1HB ARG 12 -7.456 -8.147 0.853
105 HG2 ARG 12 2HG ARG 12 -6.132 -7.534 -1.774
106 HG3 ARG 12 1HG ARG 12 -6.898 -9.070 -1.360
107 HD2 ARG 12 2HD ARG 12 -9.019 -7.828 -0.957
108 HD3 ARG 12 1HD ARG 12 -8.225 -6.368 -1.545
109 HE ARG 12 HE ARG 12 -7.924 -8.326 -3.498
110 HH11 ARG 12 1HH1 ARG 12 -10.488 -6.496 -1.989
111 HH12 ARG 12 2HH1 ARG 12 -11.536 -6.568 -3.366
112 HH21 ARG 12 1HH2 ARG 12 -9.293 -8.431 -5.333
113 HH22 ARG 12 2HH2 ARG 12 -10.854 -7.679 -5.279
114 H ARG 13 H ARG 13 -4.525 -5.160 1.648
115 HA ARG 13 HA ARG 13 -5.376 -4.503 4.208
116 HB2 ARG 13 2HB ARG 13 -4.195 -6.211 5.564
117 HB3 ARG 13 1HB ARG 13 -5.571 -6.870 4.697
118 HG2 ARG 13 2HG ARG 13 -3.970 -7.705 2.964
119 HG3 ARG 13 1HG ARG 13 -2.655 -7.187 4.021
120 HD2 ARG 13 2HD ARG 13 -3.016 -9.516 4.396
121 HD3 ARG 13 1HD ARG 13 -3.617 -8.646 5.805
122 HE ARG 13 HE ARG 13 -5.691 -9.474 5.372
123 HH11 ARG 13 1HH1 ARG 13 -3.797 -9.718 2.431
124 HH12 ARG 13 2HH1 ARG 13 -5.042 -10.526 1.542
125 HH21 ARG 13 1HH2 ARG 13 -7.341 -10.543 4.199
126 HH22 ARG 13 2HH2 ARG 13 -7.064 -10.998 2.551
127 H ASP 14 H ASP 14 -3.511 -3.926 5.624
128 HA ASP 14 HA ASP 14 -1.581 -2.483 4.183
129 HB2 ASP 14 2HB ASP 14 -1.420 -3.347 7.076
130 HB3 ASP 14 1HB ASP 14 -0.551 -2.006 6.331
131 H SER 15 H SER 15 -1.432 -5.620 5.781
132 HA SER 15 HA SER 15 1.334 -6.081 5.418
133 HB2 SER 15 2HB SER 15 -0.784 -8.228 5.533
134 HB3 SER 15 1HB SER 15 0.881 -8.306 6.112
135 HG SER 15 HG SER 15 0.302 -6.729 7.690
136 H ASP 16 H ASP 16 -1.217 -5.958 3.219
137 HA ASP 16 HA ASP 16 -0.129 -7.844 1.291
138 HB2 ASP 16 2HB ASP 16 -2.594 -7.419 1.686
139 HB3 ASP 16 1HB ASP 16 -2.363 -5.836 0.963
140 H CYS 17 H CYS 17 0.816 -4.961 2.324
141 HA CYS 17 HA CYS 17 1.571 -3.940 -0.327
142 HB2 CYS 17 2HB CYS 17 1.163 -2.533 2.311
143 HB3 CYS 17 1HB CYS 17 1.922 -1.755 0.924
144 HA PRO 18 HA PRO 18 5.743 -5.057 0.542
145 HB2 PRO 18 2HB PRO 18 7.005 -3.329 -1.146
146 HB3 PRO 18 1HB PRO 18 6.186 -4.799 -1.683
147 HG2 PRO 18 2HG PRO 18 5.199 -1.972 -1.697
148 HG3 PRO 18 1HG PRO 18 5.045 -3.217 -2.951
149 HD2 PRO 18 2HD PRO 18 3.014 -2.612 -1.289
150 HD3 PRO 18 1HD PRO 18 3.290 -4.265 -1.871
151 H GLY 19 H GLY 19 7.444 -4.452 1.788
152 HA2 GLY 19 2HA GLY 19 8.647 -3.248 3.322
153 HA3 GLY 19 1HA GLY 19 8.293 -1.841 2.330
154 H GLU 20 H GLU 20 7.603 -0.288 3.656
155 HA GLU 20 HA GLU 20 5.763 -1.016 5.815
156 HB2 GLU 20 2HB GLU 20 7.356 1.505 5.339
157 HB3 GLU 20 1HB GLU 20 6.204 1.298 6.649
158 HG2 GLU 20 2HG GLU 20 7.586 -0.628 7.444
159 HG3 GLU 20 1HG GLU 20 8.789 -0.172 6.236
160 H CYS 21 H CYS 21 5.192 -0.627 2.823
161 HA CYS 21 HA CYS 21 3.631 1.730 2.594
162 HB2 CYS 21 2HB CYS 21 3.514 -0.859 1.037
163 HB3 CYS 21 1HB CYS 21 2.599 0.585 0.620
164 H ILE 22 H ILE 22 1.475 2.079 2.898
165 HA ILE 22 HA ILE 22 0.063 -0.035 4.391
166 HB ILE 22 HB ILE 22 -1.263 1.818 5.422
167 HG12 ILE 22 2HG1 ILE 22 0.893 3.570 4.211
168 HG13 ILE 22 1HG1 ILE 22 -0.790 3.528 3.695
169 HG21 ILE 22 1HG2 ILE 22 0.704 2.618 6.872
170 HG22 ILE 22 2HG2 ILE 22 1.689 1.556 5.865
171 HG23 ILE 22 3HG2 ILE 22 0.358 0.889 6.811
172 HD11 ILE 22 3HD1 ILE 22 -1.053 4.036 6.352
173 HD12 ILE 22 1HD1 ILE 22 -1.029 5.259 5.082
174 HD13 ILE 22 2HD1 ILE 22 0.447 4.880 5.969
175 H CYS 23 H CYS 23 -2.234 -0.160 4.125
176 HA CYS 23 HA CYS 23 -2.991 0.193 1.367
177 HB2 CYS 23 2HB CYS 23 -3.597 -1.754 3.018
178 HB3 CYS 23 1HB CYS 23 -4.892 -0.680 3.526
179 H LYS 24 H LYS 24 -3.293 2.297 0.858
180 HA LYS 24 HA LYS 24 -4.463 4.164 2.652
181 HB2 LYS 24 2HB LYS 24 -4.364 5.750 0.776
182 HB3 LYS 24 1HB LYS 24 -2.848 4.914 1.030
183 HG2 LYS 24 2HG LYS 24 -3.376 3.425 -0.842
184 HG3 LYS 24 1HG LYS 24 -4.869 4.322 -1.112
185 HD2 LYS 24 2HD LYS 24 -3.202 5.104 -2.663
186 HD3 LYS 24 1HD LYS 24 -3.518 6.372 -1.480
187 HE2 LYS 24 2HE LYS 24 -1.261 4.448 -1.075
188 HE3 LYS 24 1HE LYS 24 -1.073 5.821 -2.163
189 HZ1 LYS 24 3HZ LYS 24 -0.915 7.230 -0.456
190 HZ2 LYS 24 1HZ LYS 24 -0.603 5.863 0.496
191 HZ3 LYS 24 2HZ LYS 24 -2.168 6.507 0.412
192 H GLY 25 H GLY 25 -6.318 5.583 1.933
193 HA2 GLY 25 2HA GLY 25 -8.690 4.288 2.215
194 HA3 GLY 25 1HA GLY 25 -8.540 5.886 1.516
195 H ASN 26 H ASN 26 -7.232 5.155 -0.905
196 HA ASN 26 HA ASN 26 -9.561 4.208 -2.325
197 HB2 ASN 26 2HB ASN 26 -8.206 4.640 -4.379
198 HB3 ASN 26 1HB ASN 26 -8.380 6.035 -3.324
199 HD21 ASN 26 1HD2 ASN 26 -6.249 4.087 -4.997
200 HD22 ASN 26 2HD2 ASN 26 -4.770 4.655 -4.305
201 H GLY 27 H GLY 27 -7.810 2.371 -0.622
202 HA2 GLY 27 2HA GLY 27 -7.286 0.147 -0.647
203 HA3 GLY 27 1HA GLY 27 -8.212 0.036 -2.134
204 H TYR 28 H TYR 28 -5.312 1.990 -1.677
205 HA TYR 28 HA TYR 28 -3.876 0.114 -3.424
206 HB2 TYR 28 2HB TYR 28 -4.077 3.089 -3.681
207 HB3 TYR 28 1HB TYR 28 -2.608 2.274 -4.191
208 HD1 TYR 28 2HD TYR 28 -6.206 1.328 -4.541
209 HD2 TYR 28 1HD TYR 28 -2.547 2.277 -6.512
210 HE1 TYR 28 2HE TYR 28 -7.236 0.793 -6.701
211 HE2 TYR 28 1HE TYR 28 -3.585 1.735 -8.673
212 HH TYR 28 HH TYR 28 -5.635 1.452 -9.724
213 H CYS 29 H CYS 29 -1.592 0.184 -3.236
214 HA CYS 29 HA CYS 29 -0.789 0.383 -0.474
215 HB2 CYS 29 2HB CYS 29 0.566 -0.600 -2.977
216 HB3 CYS 29 1HB CYS 29 1.422 -0.486 -1.439
217 H GLY 30 H GLY 30 -0.056 2.157 0.411
218 HA2 GLY 30 2HA GLY 30 2.116 3.625 -0.638
219 HA3 GLY 30 1HA GLY 30 0.619 4.504 -0.933
Start of MODEL 3
1 H1 PCA 1 H PCA 1 1.645 6.121 8.719
2 HA PCA 1 HA PCA 1 2.839 8.251 8.230
3 HB2 PCA 1 1HB PCA 1 4.656 8.132 10.468
4 HB3 PCA 1 2HB PCA 1 3.359 9.312 10.198
5 HG2 PCA 1 1HG PCA 1 3.430 7.163 12.103
6 HG3 PCA 1 2HG PCA 1 2.119 8.334 11.817
7 H ARG 2 H ARG 2 3.281 5.198 8.047
8 HA ARG 2 HA ARG 2 6.116 4.846 8.002
9 HB2 ARG 2 2HB ARG 2 3.895 3.153 6.840
10 HB3 ARG 2 1HB ARG 2 5.584 2.674 6.920
11 HG2 ARG 2 2HG ARG 2 5.416 2.955 9.426
12 HG3 ARG 2 1HG ARG 2 3.670 3.095 9.198
13 HD2 ARG 2 2HD ARG 2 5.330 0.766 8.245
14 HD3 ARG 2 1HD ARG 2 4.453 0.797 9.771
15 HE ARG 2 HE ARG 2 2.476 1.298 8.088
16 HH11 ARG 2 1HH1 ARG 2 5.110 -0.999 7.756
17 HH12 ARG 2 2HH1 ARG 2 4.139 -2.161 6.898
18 HH21 ARG 2 1HH2 ARG 2 1.182 -0.266 6.999
19 HH22 ARG 2 2HH2 ARG 2 1.923 -1.738 6.458
20 H ALA 3 H ALA 3 7.502 4.935 6.294
21 HA ALA 3 HA ALA 3 6.707 6.500 4.033
22 HB1 ALA 3 1HB ALA 3 9.324 5.138 4.656
23 HB2 ALA 3 2HB ALA 3 8.902 6.817 4.999
24 HB3 ALA 3 3HB ALA 3 9.056 6.268 3.328
25 H CYS 4 H CYS 4 6.392 5.881 1.945
26 HA CYS 4 HA CYS 4 6.856 3.101 1.196
27 HB2 CYS 4 2HB CYS 4 4.596 2.995 1.974
28 HB3 CYS 4 1HB CYS 4 4.168 4.476 1.128
29 HA PRO 5 HA PRO 5 8.104 5.171 -2.535
30 HB2 PRO 5 2HB PRO 5 8.432 2.971 -4.086
31 HB3 PRO 5 1HB PRO 5 9.581 3.417 -2.818
32 HG2 PRO 5 2HG PRO 5 7.391 1.381 -2.761
33 HG3 PRO 5 1HG PRO 5 9.040 1.270 -2.122
34 HD2 PRO 5 2HD PRO 5 6.874 1.797 -0.562
35 HD3 PRO 5 1HD PRO 5 8.502 2.396 -0.194
36 H ARG 6 H ARG 6 7.127 5.807 -4.468
37 HA ARG 6 HA ARG 6 4.354 5.574 -4.657
38 HB2 ARG 6 2HB ARG 6 5.586 7.441 -5.643
39 HB3 ARG 6 1HB ARG 6 6.330 6.355 -6.807
40 HG2 ARG 6 2HG ARG 6 4.484 7.664 -7.766
41 HG3 ARG 6 1HG ARG 6 4.195 5.926 -7.843
42 HD2 ARG 6 2HD ARG 6 2.758 6.072 -5.874
43 HD3 ARG 6 1HD ARG 6 3.066 7.804 -5.767
44 HE ARG 6 HE ARG 6 2.067 7.321 -8.308
45 HH11 ARG 6 1HH1 ARG 6 0.966 6.960 -5.009
46 HH12 ARG 6 2HH1 ARG 6 -0.698 7.258 -5.390
47 HH21 ARG 6 1HH2 ARG 6 -0.133 7.719 -8.826
48 HH22 ARG 6 2HH2 ARG 6 -1.325 7.694 -7.569
49 H ILE 7 H ILE 7 3.226 3.854 -5.109
50 HA ILE 7 HA ILE 7 3.896 2.207 -7.412
51 HB ILE 7 HB ILE 7 4.940 1.122 -5.398
52 HG12 ILE 7 2HG1 ILE 7 2.662 -0.427 -6.656
53 HG13 ILE 7 1HG1 ILE 7 4.253 -0.197 -7.372
54 HG21 ILE 7 1HG2 ILE 7 2.074 0.849 -4.508
55 HG22 ILE 7 2HG2 ILE 7 3.341 1.782 -3.712
56 HG23 ILE 7 3HG2 ILE 7 3.448 0.022 -3.772
57 HD11 ILE 7 3HD1 ILE 7 3.417 -2.270 -5.709
58 HD12 ILE 7 1HD1 ILE 7 4.501 -1.284 -4.729
59 HD13 ILE 7 2HD1 ILE 7 5.055 -1.938 -6.271
60 H LEU 8 H LEU 8 2.030 0.853 -8.055
61 HA LEU 8 HA LEU 8 -0.506 1.878 -6.998
62 HB2 LEU 8 2HB LEU 8 0.331 1.596 -9.870
63 HB3 LEU 8 1HB LEU 8 -1.356 1.680 -9.399
64 HG LEU 8 HG LEU 8 0.518 3.817 -8.488
65 HD11 LEU 8 1HD1 LEU 8 -0.741 4.774 -10.789
66 HD12 LEU 8 2HD1 LEU 8 -0.079 3.204 -11.241
67 HD13 LEU 8 3HD1 LEU 8 0.979 4.448 -10.574
68 HD21 LEU 8 3HD2 LEU 8 -1.343 4.893 -7.903
69 HD22 LEU 8 1HD2 LEU 8 -2.143 3.333 -8.087
70 HD23 LEU 8 2HD2 LEU 8 -2.158 4.494 -9.415
71 H LYS 9 H LYS 9 -0.572 -0.026 -5.748
72 HA LYS 9 HA LYS 9 -1.497 -2.360 -7.281
73 HB2 LYS 9 2HB LYS 9 0.743 -2.876 -6.483
74 HB3 LYS 9 1HB LYS 9 0.337 -2.332 -4.865
75 HG2 LYS 9 2HG LYS 9 -1.236 -4.579 -6.008
76 HG3 LYS 9 1HG LYS 9 0.428 -4.893 -5.509
77 HD2 LYS 9 2HD LYS 9 -0.060 -4.081 -3.274
78 HD3 LYS 9 1HD LYS 9 -1.700 -3.652 -3.763
79 HE2 LYS 9 2HE LYS 9 -2.068 -5.675 -2.743
80 HE3 LYS 9 1HE LYS 9 -1.846 -6.180 -4.416
81 HZ1 LYS 9 3HZ LYS 9 -0.614 -7.403 -2.515
82 HZ2 LYS 9 1HZ LYS 9 0.464 -6.101 -2.593
83 HZ3 LYS 9 2HZ LYS 9 0.212 -7.067 -3.960
84 H LYS 10 H LYS 10 -3.530 -2.947 -6.693
85 HA LYS 10 HA LYS 10 -4.880 -1.542 -4.629
86 HB2 LYS 10 2HB LYS 10 -5.623 -3.647 -6.561
87 HB3 LYS 10 1HB LYS 10 -6.558 -3.613 -5.068
88 HG2 LYS 10 2HG LYS 10 -6.503 -0.986 -5.696
89 HG3 LYS 10 1HG LYS 10 -6.495 -1.711 -7.299
90 HD2 LYS 10 2HD LYS 10 -8.556 -2.751 -6.966
91 HD3 LYS 10 1HD LYS 10 -8.450 -2.601 -5.208
92 HE2 LYS 10 2HE LYS 10 -8.721 -0.285 -7.115
93 HE3 LYS 10 1HE LYS 10 -10.066 -1.022 -6.246
94 HZ1 LYS 10 3HZ LYS 10 -8.700 1.070 -5.334
95 HZ2 LYS 10 1HZ LYS 10 -7.799 -0.179 -4.627
96 HZ3 LYS 10 2HZ LYS 10 -9.457 -0.047 -4.319
97 H CYS 11 H CYS 11 -4.706 -1.842 -2.582
98 HA CYS 11 HA CYS 11 -3.503 -4.270 -1.563
99 HB2 CYS 11 2HB CYS 11 -3.441 -2.976 0.576
100 HB3 CYS 11 1HB CYS 11 -2.590 -2.219 -0.767
101 H ARG 12 H ARG 12 -4.306 -5.632 -0.097
102 HA ARG 12 HA ARG 12 -7.204 -5.511 0.402
103 HB2 ARG 12 2HB ARG 12 -5.315 -7.878 0.539
104 HB3 ARG 12 1HB ARG 12 -7.053 -7.934 0.800
105 HG2 ARG 12 2HG ARG 12 -5.720 -7.138 -1.778
106 HG3 ARG 12 1HG ARG 12 -6.389 -8.731 -1.427
107 HD2 ARG 12 2HD ARG 12 -8.601 -7.702 -1.091
108 HD3 ARG 12 1HD ARG 12 -7.915 -6.131 -1.500
109 HE ARG 12 HE ARG 12 -7.335 -7.832 -3.609
110 HH11 ARG 12 1HH1 ARG 12 -10.174 -6.508 -2.058
111 HH12 ARG 12 2HH1 ARG 12 -11.144 -6.546 -3.493
112 HH21 ARG 12 1HH2 ARG 12 -8.603 -7.883 -5.519
113 HH22 ARG 12 2HH2 ARG 12 -10.245 -7.333 -5.472
114 H ARG 13 H ARG 13 -4.221 -4.986 1.704
115 HA ARG 13 HA ARG 13 -4.973 -4.253 4.255
116 HB2 ARG 13 2HB ARG 13 -3.916 -6.061 5.617
117 HB3 ARG 13 1HB ARG 13 -5.395 -6.560 4.820
118 HG2 ARG 13 2HG ARG 13 -4.003 -7.619 3.045
119 HG3 ARG 13 1HG ARG 13 -2.575 -7.225 4.004
120 HD2 ARG 13 2HD ARG 13 -3.210 -9.507 4.437
121 HD3 ARG 13 1HD ARG 13 -3.523 -8.538 5.875
122 HE ARG 13 HE ARG 13 -5.726 -9.071 5.694
123 HH11 ARG 13 1HH1 ARG 13 -4.222 -9.644 2.581
124 HH12 ARG 13 2HH1 ARG 13 -5.660 -10.275 1.854
125 HH21 ARG 13 1HH2 ARG 13 -7.631 -9.903 4.739
126 HH22 ARG 13 2HH2 ARG 13 -7.608 -10.423 3.088
127 H ASP 14 H ASP 14 -2.999 -3.822 5.637
128 HA ASP 14 HA ASP 14 -0.982 -2.633 4.079
129 HB2 ASP 14 2HB ASP 14 -1.059 -3.307 7.016
130 HB3 ASP 14 1HB ASP 14 0.341 -2.549 6.267
131 H SER 15 H SER 15 -1.168 -5.773 5.620
132 HA SER 15 HA SER 15 1.515 -6.561 5.301
133 HB2 SER 15 2HB SER 15 -0.804 -8.475 5.165
134 HB3 SER 15 1HB SER 15 0.779 -8.707 5.909
135 HG SER 15 HG SER 15 0.192 -7.404 7.582
136 H ASP 16 H ASP 16 -1.102 -6.269 3.102
137 HA ASP 16 HA ASP 16 -0.073 -8.038 1.068
138 HB2 ASP 16 2HB ASP 16 -2.513 -7.486 1.447
139 HB3 ASP 16 1HB ASP 16 -2.178 -5.874 0.836
140 H CYS 17 H CYS 17 0.408 -4.859 2.127
141 HA CYS 17 HA CYS 17 1.483 -3.879 -0.383
142 HB2 CYS 17 2HB CYS 17 1.042 -2.625 2.324
143 HB3 CYS 17 1HB CYS 17 1.874 -1.789 1.016
144 HA PRO 18 HA PRO 18 5.602 -5.098 0.570
145 HB2 PRO 18 2HB PRO 18 6.963 -3.397 -1.034
146 HB3 PRO 18 1HB PRO 18 6.067 -4.790 -1.650
147 HG2 PRO 18 2HG PRO 18 5.257 -1.909 -1.559
148 HG3 PRO 18 1HG PRO 18 5.045 -3.090 -2.866
149 HD2 PRO 18 2HD PRO 18 3.042 -2.417 -1.169
150 HD3 PRO 18 1HD PRO 18 3.188 -4.034 -1.880
151 H GLY 19 H GLY 19 7.214 -4.595 1.927
152 HA2 GLY 19 2HA GLY 19 8.352 -3.503 3.585
153 HA3 GLY 19 1HA GLY 19 8.289 -2.117 2.511
154 H GLU 20 H GLU 20 7.763 -0.438 3.698
155 HA GLU 20 HA GLU 20 5.888 -0.678 5.895
156 HB2 GLU 20 2HB GLU 20 7.657 1.555 4.914
157 HB3 GLU 20 1HB GLU 20 6.498 1.769 6.217
158 HG2 GLU 20 2HG GLU 20 8.671 -0.305 6.267
159 HG3 GLU 20 1HG GLU 20 8.858 1.321 6.923
160 H CYS 21 H CYS 21 5.088 -0.735 2.919
161 HA CYS 21 HA CYS 21 3.577 1.669 2.555
162 HB2 CYS 21 2HB CYS 21 3.492 -0.995 1.145
163 HB3 CYS 21 1HB CYS 21 2.496 0.383 0.680
164 H ILE 22 H ILE 22 1.450 2.071 2.913
165 HA ILE 22 HA ILE 22 0.024 0.051 4.531
166 HB ILE 22 HB ILE 22 -1.214 1.863 5.581
167 HG12 ILE 22 2HG1 ILE 22 0.514 3.745 3.954
168 HG13 ILE 22 1HG1 ILE 22 -1.195 3.434 3.665
169 HG21 ILE 22 1HG2 ILE 22 0.836 1.179 6.649
170 HG22 ILE 22 2HG2 ILE 22 0.624 2.920 6.839
171 HG23 ILE 22 3HG2 ILE 22 1.767 2.295 5.649
172 HD11 ILE 22 3HD1 ILE 22 0.114 5.070 5.739
173 HD12 ILE 22 1HD1 ILE 22 -1.327 4.180 6.223
174 HD13 ILE 22 2HD1 ILE 22 -1.405 5.320 4.879
175 H CYS 23 H CYS 23 -2.292 -0.048 4.274
176 HA CYS 23 HA CYS 23 -3.031 0.182 1.489
177 HB2 CYS 23 2HB CYS 23 -3.646 -1.756 3.021
178 HB3 CYS 23 1HB CYS 23 -4.800 -0.669 3.789
179 H LYS 24 H LYS 24 -3.357 2.262 0.890
180 HA LYS 24 HA LYS 24 -4.610 4.186 2.582
181 HB2 LYS 24 2HB LYS 24 -3.287 4.162 0.028
182 HB3 LYS 24 1HB LYS 24 -4.775 5.097 -0.073
183 HG2 LYS 24 2HG LYS 24 -4.090 6.522 1.699
184 HG3 LYS 24 1HG LYS 24 -2.700 5.501 2.059
185 HD2 LYS 24 2HD LYS 24 -1.727 6.049 -0.114
186 HD3 LYS 24 1HD LYS 24 -3.129 7.051 -0.494
187 HE2 LYS 24 2HE LYS 24 -1.243 8.412 0.256
188 HE3 LYS 24 1HE LYS 24 -2.600 8.524 1.374
189 HZ1 LYS 24 3HZ LYS 24 -0.328 8.241 2.391
190 HZ2 LYS 24 1HZ LYS 24 -0.331 6.653 1.800
191 HZ3 LYS 24 2HZ LYS 24 -1.503 7.150 2.919
192 H GLY 25 H GLY 25 -6.624 5.251 2.260
193 HA2 GLY 25 2HA GLY 25 -8.858 3.667 2.104
194 HA3 GLY 25 1HA GLY 25 -8.876 5.400 1.833
195 H ASN 26 H ASN 26 -7.234 5.268 -0.549
196 HA ASN 26 HA ASN 26 -9.215 4.984 -2.524
197 HB2 ASN 26 2HB ASN 26 -7.613 6.396 -3.306
198 HB3 ASN 26 1HB ASN 26 -6.331 5.603 -2.405
199 HD21 ASN 26 1HD2 ASN 26 -4.833 4.784 -3.615
200 HD22 ASN 26 2HD2 ASN 26 -5.022 4.124 -5.197
201 H GLY 27 H GLY 27 -7.142 2.729 -1.007
202 HA2 GLY 27 2HA GLY 27 -7.453 0.403 -1.102
203 HA3 GLY 27 1HA GLY 27 -8.258 0.591 -2.655
204 H TYR 28 H TYR 28 -5.272 2.191 -2.028
205 HA TYR 28 HA TYR 28 -3.813 0.169 -3.569
206 HB2 TYR 28 2HB TYR 28 -3.892 3.128 -4.064
207 HB3 TYR 28 1HB TYR 28 -2.443 2.212 -4.442
208 HD1 TYR 28 2HD TYR 28 -6.097 1.545 -4.951
209 HD2 TYR 28 1HD TYR 28 -2.239 1.927 -6.710
210 HE1 TYR 28 2HE TYR 28 -7.035 0.937 -7.131
211 HE2 TYR 28 1HE TYR 28 -3.173 1.305 -8.887
212 HH TYR 28 HH TYR 28 -5.206 1.184 -10.065
213 H CYS 29 H CYS 29 -1.584 0.174 -3.210
214 HA CYS 29 HA CYS 29 -0.916 0.546 -0.455
215 HB2 CYS 29 2HB CYS 29 0.673 -0.347 -2.862
216 HB3 CYS 29 1HB CYS 29 1.371 -0.242 -1.243
217 H GLY 30 H GLY 30 -0.084 2.252 0.489
218 HA2 GLY 30 2HA GLY 30 1.872 3.937 -0.679
219 HA3 GLY 30 1HA GLY 30 0.290 4.707 -0.750
Start of MODEL 4
1 H1 PCA 1 H PCA 1 2.661 8.242 4.878
2 HA PCA 1 HA PCA 1 3.161 9.459 7.078
3 HB2 PCA 1 1HB PCA 1 2.452 7.091 8.630
4 HB3 PCA 1 2HB PCA 1 1.794 8.732 8.765
5 HG2 PCA 1 1HG PCA 1 0.575 6.417 7.568
6 HG3 PCA 1 2HG PCA 1 -0.091 8.062 7.712
7 H ARG 2 H ARG 2 3.434 6.011 6.282
8 HA ARG 2 HA ARG 2 6.167 5.976 7.304
9 HB2 ARG 2 2HB ARG 2 4.354 3.747 6.376
10 HB3 ARG 2 1HB ARG 2 6.028 3.510 6.866
11 HG2 ARG 2 2HG ARG 2 3.750 4.483 8.575
12 HG3 ARG 2 1HG ARG 2 4.613 2.951 8.705
13 HD2 ARG 2 2HD ARG 2 5.795 5.692 9.152
14 HD3 ARG 2 1HD ARG 2 5.348 4.546 10.415
15 HE ARG 2 HE ARG 2 7.099 3.158 8.823
16 HH11 ARG 2 1HH1 ARG 2 7.241 6.162 10.638
17 HH12 ARG 2 2HH1 ARG 2 8.946 6.062 10.908
18 HH21 ARG 2 1HH2 ARG 2 9.327 3.029 9.141
19 HH22 ARG 2 2HH2 ARG 2 10.144 4.266 10.054
20 H ALA 3 H ALA 3 7.881 5.047 5.960
21 HA ALA 3 HA ALA 3 7.994 6.270 3.431
22 HB1 ALA 3 1HB ALA 3 10.090 5.045 3.118
23 HB2 ALA 3 2HB ALA 3 9.737 4.081 4.554
24 HB3 ALA 3 3HB ALA 3 10.009 5.818 4.701
25 H CYS 4 H CYS 4 7.501 5.588 1.450
26 HA CYS 4 HA CYS 4 7.233 2.829 0.754
27 HB2 CYS 4 2HB CYS 4 5.124 2.991 1.900
28 HB3 CYS 4 1HB CYS 4 4.750 4.520 1.115
29 HA PRO 5 HA PRO 5 8.159 4.803 -3.126
30 HB2 PRO 5 2HB PRO 5 7.795 2.610 -4.714
31 HB3 PRO 5 1HB PRO 5 9.252 2.874 -3.749
32 HG2 PRO 5 2HG PRO 5 6.877 1.153 -3.166
33 HG3 PRO 5 1HG PRO 5 8.598 0.815 -2.904
34 HD2 PRO 5 2HD PRO 5 6.945 1.583 -0.903
35 HD3 PRO 5 1HD PRO 5 8.665 2.022 -0.941
36 H ARG 6 H ARG 6 6.905 5.773 -4.697
37 HA ARG 6 HA ARG 6 4.078 5.572 -4.372
38 HB2 ARG 6 2HB ARG 6 5.343 7.691 -4.877
39 HB3 ARG 6 1HB ARG 6 5.532 7.104 -6.522
40 HG2 ARG 6 2HG ARG 6 3.634 8.738 -6.058
41 HG3 ARG 6 1HG ARG 6 3.251 7.284 -6.980
42 HD2 ARG 6 2HD ARG 6 1.582 7.885 -5.206
43 HD3 ARG 6 1HD ARG 6 2.231 6.253 -5.097
44 HE ARG 6 HE ARG 6 3.026 6.769 -3.035
45 HH11 ARG 6 1HH1 ARG 6 2.518 9.787 -4.743
46 HH12 ARG 6 2HH1 ARG 6 2.951 10.774 -3.387
47 HH21 ARG 6 1HH2 ARG 6 3.586 8.059 -1.248
48 HH22 ARG 6 2HH2 ARG 6 3.559 9.786 -1.388
49 H ILE 7 H ILE 7 4.311 3.196 -4.912
50 HA ILE 7 HA ILE 7 4.064 2.693 -7.793
51 HB ILE 7 HB ILE 7 5.573 1.229 -6.387
52 HG12 ILE 7 2HG1 ILE 7 3.258 -0.174 -7.741
53 HG13 ILE 7 1HG1 ILE 7 4.659 0.499 -8.568
54 HG21 ILE 7 1HG2 ILE 7 4.275 1.090 -4.369
55 HG22 ILE 7 2HG2 ILE 7 4.458 -0.533 -5.036
56 HG23 ILE 7 3HG2 ILE 7 2.935 0.337 -5.237
57 HD11 ILE 7 3HD1 ILE 7 5.357 -1.367 -6.444
58 HD12 ILE 7 1HD1 ILE 7 5.910 -1.285 -8.116
59 HD13 ILE 7 2HD1 ILE 7 4.386 -2.084 -7.729
60 H LEU 8 H LEU 8 2.186 1.509 -8.548
61 HA LEU 8 HA LEU 8 -0.132 1.995 -6.820
62 HB2 LEU 8 2HB LEU 8 0.212 2.134 -9.780
63 HB3 LEU 8 1HB LEU 8 -1.368 1.761 -9.118
64 HG LEU 8 HG LEU 8 -1.121 3.894 -7.735
65 HD11 LEU 8 1HD1 LEU 8 0.991 4.488 -9.795
66 HD12 LEU 8 2HD1 LEU 8 1.300 4.155 -8.091
67 HD13 LEU 8 3HD1 LEU 8 0.379 5.585 -8.558
68 HD21 LEU 8 3HD2 LEU 8 -1.701 5.315 -9.765
69 HD22 LEU 8 1HD2 LEU 8 -2.698 3.893 -9.456
70 HD23 LEU 8 2HD2 LEU 8 -1.459 3.847 -10.713
71 H LYS 9 H LYS 9 -0.683 0.209 -5.807
72 HA LYS 9 HA LYS 9 -1.350 -2.140 -7.386
73 HB2 LYS 9 2HB LYS 9 0.978 -2.535 -6.657
74 HB3 LYS 9 1HB LYS 9 0.503 -2.264 -4.987
75 HG2 LYS 9 2HG LYS 9 -1.038 -4.343 -6.364
76 HG3 LYS 9 1HG LYS 9 0.681 -4.693 -6.181
77 HD2 LYS 9 2HD LYS 9 0.544 -4.387 -3.798
78 HD3 LYS 9 1HD LYS 9 -1.128 -3.836 -3.925
79 HE2 LYS 9 2HE LYS 9 -1.829 -6.017 -4.685
80 HE3 LYS 9 1HE LYS 9 -0.160 -6.586 -4.706
81 HZ1 LYS 9 3HZ LYS 9 -0.334 -5.818 -2.191
82 HZ2 LYS 9 1HZ LYS 9 -0.795 -7.367 -2.689
83 HZ3 LYS 9 2HZ LYS 9 -1.968 -6.176 -2.454
84 H LYS 10 H LYS 10 -3.314 -2.846 -6.750
85 HA LYS 10 HA LYS 10 -4.656 -1.610 -4.580
86 HB2 LYS 10 2HB LYS 10 -5.353 -3.847 -6.442
87 HB3 LYS 10 1HB LYS 10 -6.333 -3.581 -5.006
88 HG2 LYS 10 2HG LYS 10 -6.385 -1.117 -5.850
89 HG3 LYS 10 1HG LYS 10 -5.977 -1.843 -7.400
90 HD2 LYS 10 2HD LYS 10 -8.354 -1.657 -7.287
91 HD3 LYS 10 1HD LYS 10 -7.949 -3.365 -7.102
92 HE2 LYS 10 2HE LYS 10 -9.685 -2.634 -5.512
93 HE3 LYS 10 1HE LYS 10 -8.229 -3.211 -4.703
94 HZ1 LYS 10 3HZ LYS 10 -9.276 -1.075 -3.848
95 HZ2 LYS 10 1HZ LYS 10 -8.662 -0.332 -5.239
96 HZ3 LYS 10 2HZ LYS 10 -7.605 -1.050 -4.126
97 H CYS 11 H CYS 11 -4.864 -2.165 -2.528
98 HA CYS 11 HA CYS 11 -3.535 -4.652 -1.695
99 HB2 CYS 11 2HB CYS 11 -3.438 -3.423 0.555
100 HB3 CYS 11 1HB CYS 11 -2.387 -2.849 -0.734
101 H ARG 12 H ARG 12 -4.510 -6.089 -0.398
102 HA ARG 12 HA ARG 12 -7.383 -5.707 0.084
103 HB2 ARG 12 2HB ARG 12 -7.490 -8.118 0.409
104 HB3 ARG 12 1HB ARG 12 -6.686 -7.760 -1.111
105 HG2 ARG 12 2HG ARG 12 -4.506 -8.106 0.013
106 HG3 ARG 12 1HG ARG 12 -5.378 -8.591 1.468
107 HD2 ARG 12 2HD ARG 12 -5.546 -9.933 -1.228
108 HD3 ARG 12 1HD ARG 12 -4.652 -10.531 0.170
109 HE ARG 12 HE ARG 12 -7.326 -10.147 0.917
110 HH11 ARG 12 1HH1 ARG 12 -5.407 -12.209 -1.149
111 HH12 ARG 12 2HH1 ARG 12 -6.483 -13.562 -1.031
112 HH21 ARG 12 1HH2 ARG 12 -8.766 -11.929 1.086
113 HH22 ARG 12 2HH2 ARG 12 -8.405 -13.401 0.246
114 H ARG 13 H ARG 13 -4.574 -5.147 1.568
115 HA ARG 13 HA ARG 13 -5.565 -4.592 4.091
116 HB2 ARG 13 2HB ARG 13 -4.451 -6.305 5.478
117 HB3 ARG 13 1HB ARG 13 -5.747 -6.978 4.508
118 HG2 ARG 13 2HG ARG 13 -4.077 -7.828 2.915
119 HG3 ARG 13 1HG ARG 13 -2.797 -7.173 3.938
120 HD2 ARG 13 2HD ARG 13 -4.756 -9.364 4.604
121 HD3 ARG 13 1HD ARG 13 -3.007 -9.500 4.434
122 HE ARG 13 HE ARG 13 -3.712 -7.653 6.483
123 HH11 ARG 13 1HH1 ARG 13 -3.422 -11.071 5.793
124 HH12 ARG 13 2HH1 ARG 13 -3.218 -11.525 7.452
125 HH21 ARG 13 1HH2 ARG 13 -3.447 -8.242 8.684
126 HH22 ARG 13 2HH2 ARG 13 -3.233 -9.910 9.102
127 H ASP 14 H ASP 14 -3.796 -4.030 5.627
128 HA ASP 14 HA ASP 14 -1.849 -2.446 4.394
129 HB2 ASP 14 2HB ASP 14 -1.489 -3.567 7.163
130 HB3 ASP 14 1HB ASP 14 -1.038 -1.979 6.553
131 H SER 15 H SER 15 -1.567 -5.615 5.913
132 HA SER 15 HA SER 15 1.195 -5.958 5.518
133 HB2 SER 15 2HB SER 15 -0.085 -7.270 7.145
134 HB3 SER 15 1HB SER 15 -0.984 -8.037 5.837
135 HG SER 15 HG SER 15 1.519 -8.421 5.243
136 H ASP 16 H ASP 16 -1.327 -5.944 3.288
137 HA ASP 16 HA ASP 16 -0.189 -7.846 1.420
138 HB2 ASP 16 2HB ASP 16 -2.646 -7.430 1.658
139 HB3 ASP 16 1HB ASP 16 -2.394 -5.810 1.027
140 H CYS 17 H CYS 17 0.668 -4.846 2.391
141 HA CYS 17 HA CYS 17 1.534 -3.955 -0.263
142 HB2 CYS 17 2HB CYS 17 1.179 -2.486 2.344
143 HB3 CYS 17 1HB CYS 17 1.972 -1.771 0.945
144 HA PRO 18 HA PRO 18 5.688 -5.102 0.645
145 HB2 PRO 18 2HB PRO 18 6.984 -3.537 -1.147
146 HB3 PRO 18 1HB PRO 18 6.053 -4.965 -1.611
147 HG2 PRO 18 2HG PRO 18 5.274 -2.078 -1.715
148 HG3 PRO 18 1HG PRO 18 4.989 -3.358 -2.908
149 HD2 PRO 18 2HD PRO 18 3.084 -2.509 -1.167
150 HD3 PRO 18 1HD PRO 18 3.155 -4.169 -1.781
151 H GLY 19 H GLY 19 7.447 -4.471 1.824
152 HA2 GLY 19 2HA GLY 19 8.705 -3.215 3.272
153 HA3 GLY 19 1HA GLY 19 8.368 -1.858 2.207
154 H GLU 20 H GLU 20 7.782 -0.219 3.490
155 HA GLU 20 HA GLU 20 6.002 -0.764 5.740
156 HB2 GLU 20 2HB GLU 20 7.554 1.718 5.003
157 HB3 GLU 20 1HB GLU 20 6.479 1.594 6.388
158 HG2 GLU 20 2HG GLU 20 8.000 -0.455 6.986
159 HG3 GLU 20 1HG GLU 20 9.155 0.380 5.946
160 H CYS 21 H CYS 21 5.271 -0.621 2.775
161 HA CYS 21 HA CYS 21 3.653 1.702 2.469
162 HB2 CYS 21 2HB CYS 21 3.610 -0.973 1.065
163 HB3 CYS 21 1HB CYS 21 2.589 0.384 0.606
164 H ILE 22 H ILE 22 1.499 2.012 2.921
165 HA ILE 22 HA ILE 22 0.198 -0.199 4.371
166 HB ILE 22 HB ILE 22 -1.070 1.546 5.637
167 HG12 ILE 22 2HG1 ILE 22 1.047 3.393 4.504
168 HG13 ILE 22 1HG1 ILE 22 -0.667 3.437 4.106
169 HG21 ILE 22 1HG2 ILE 22 0.417 1.359 7.308
170 HG22 ILE 22 2HG2 ILE 22 1.714 2.109 6.375
171 HG23 ILE 22 3HG2 ILE 22 1.342 0.397 6.153
172 HD11 ILE 22 3HD1 ILE 22 0.325 5.084 5.856
173 HD12 ILE 22 1HD1 ILE 22 0.173 3.706 6.949
174 HD13 ILE 22 2HD1 ILE 22 -1.252 4.344 6.128
175 H CYS 23 H CYS 23 -2.099 -0.335 4.177
176 HA CYS 23 HA CYS 23 -2.941 0.237 1.495
177 HB2 CYS 23 2HB CYS 23 -3.519 -1.843 2.947
178 HB3 CYS 23 1HB CYS 23 -4.752 -0.810 3.664
179 H LYS 24 H LYS 24 -3.356 2.216 1.008
180 HA LYS 24 HA LYS 24 -4.545 4.042 2.875
181 HB2 LYS 24 2HB LYS 24 -2.896 4.320 0.750
182 HB3 LYS 24 1HB LYS 24 -4.434 4.752 0.012
183 HG2 LYS 24 2HG LYS 24 -3.064 6.630 0.971
184 HG3 LYS 24 1HG LYS 24 -4.753 6.550 1.465
185 HD2 LYS 24 2HD LYS 24 -3.401 7.044 3.398
186 HD3 LYS 24 1HD LYS 24 -4.040 5.409 3.550
187 HE2 LYS 24 2HE LYS 24 -1.815 5.194 4.204
188 HE3 LYS 24 1HE LYS 24 -1.807 4.659 2.525
189 HZ1 LYS 24 3HZ LYS 24 -1.327 7.312 2.326
190 HZ2 LYS 24 1HZ LYS 24 -0.141 6.102 2.285
191 HZ3 LYS 24 2HZ LYS 24 -0.491 6.910 3.743
192 H GLY 25 H GLY 25 -6.556 5.190 2.506
193 HA2 GLY 25 2HA GLY 25 -8.799 3.641 2.280
194 HA3 GLY 25 1HA GLY 25 -8.794 5.373 2.002
195 H ASN 26 H ASN 26 -7.083 5.169 -0.342
196 HA ASN 26 HA ASN 26 -9.026 4.936 -2.361
197 HB2 ASN 26 2HB ASN 26 -7.326 6.370 -2.945
198 HB3 ASN 26 1HB ASN 26 -6.082 5.372 -2.214
199 HD21 ASN 26 1HD2 ASN 26 -4.701 4.685 -3.617
200 HD22 ASN 26 2HD2 ASN 26 -5.022 4.186 -5.235
201 H GLY 27 H GLY 27 -7.175 2.572 -0.761
202 HA2 GLY 27 2HA GLY 27 -7.451 0.265 -0.938
203 HA3 GLY 27 1HA GLY 27 -8.261 0.500 -2.483
204 H TYR 28 H TYR 28 -5.302 2.105 -1.928
205 HA TYR 28 HA TYR 28 -3.833 0.109 -3.503
206 HB2 TYR 28 2HB TYR 28 -3.996 3.069 -3.918
207 HB3 TYR 28 1HB TYR 28 -2.505 2.231 -4.306
208 HD1 TYR 28 1HD TYR 28 -6.091 1.287 -4.853
209 HD2 TYR 28 2HD TYR 28 -2.306 2.147 -6.596
210 HE1 TYR 28 1HE TYR 28 -6.980 0.712 -7.067
211 HE2 TYR 28 2HE TYR 28 -3.189 1.566 -8.807
212 HH TYR 28 HH TYR 28 -5.589 1.548 -9.889
213 H CYS 29 H CYS 29 -1.576 0.198 -3.221
214 HA CYS 29 HA CYS 29 -0.838 0.509 -0.460
215 HB2 CYS 29 2HB CYS 29 0.608 -0.436 -2.935
216 HB3 CYS 29 1HB CYS 29 1.420 -0.297 -1.371
217 H GLY 30 H GLY 30 -0.076 2.314 0.417
218 HA2 GLY 30 2HA GLY 30 1.973 3.871 -0.724
219 HA3 GLY 30 1HA GLY 30 0.429 4.657 -1.037
Start of MODEL 5
1 H1 PCA 1 H PCA 1 4.042 8.147 7.555
2 HA PCA 1 HA PCA 1 6.141 8.769 8.790
3 HB2 PCA 1 1HB PCA 1 5.909 6.652 10.756
4 HB3 PCA 1 2HB PCA 1 5.901 8.403 11.038
5 HG2 PCA 1 1HG PCA 1 3.688 6.583 11.164
6 HG3 PCA 1 2HG PCA 1 3.672 8.348 11.406
7 H ARG 2 H ARG 2 4.653 5.668 8.164
8 HA ARG 2 HA ARG 2 6.963 4.072 7.933
9 HB2 ARG 2 2HB ARG 2 4.243 3.809 6.644
10 HB3 ARG 2 1HB ARG 2 5.488 2.575 6.569
11 HG2 ARG 2 2HG ARG 2 5.408 2.372 9.018
12 HG3 ARG 2 1HG ARG 2 4.112 3.573 9.054
13 HD2 ARG 2 2HD ARG 2 2.772 2.104 7.574
14 HD3 ARG 2 1HD ARG 2 4.043 0.891 7.674
15 HE ARG 2 HE ARG 2 3.311 1.474 10.278
16 HH11 ARG 2 1HH1 ARG 2 1.820 0.156 7.401
17 HH12 ARG 2 2HH1 ARG 2 0.653 -0.791 8.268
18 HH21 ARG 2 1HH2 ARG 2 1.779 0.193 11.443
19 HH22 ARG 2 2HH2 ARG 2 0.639 -0.777 10.568
20 H ALA 3 H ALA 3 8.281 3.587 6.215
21 HA ALA 3 HA ALA 3 8.301 5.504 4.044
22 HB1 ALA 3 1HB ALA 3 10.342 4.330 3.325
23 HB2 ALA 3 2HB ALA 3 10.101 3.152 4.617
24 HB3 ALA 3 3HB ALA 3 10.417 4.843 5.010
25 H CYS 4 H CYS 4 7.659 5.175 1.987
26 HA CYS 4 HA CYS 4 7.153 2.501 1.008
27 HB2 CYS 4 2HB CYS 4 5.049 2.922 2.120
28 HB3 CYS 4 1HB CYS 4 4.915 4.506 1.364
29 HA PRO 5 HA PRO 5 8.444 4.712 -2.631
30 HB2 PRO 5 2HB PRO 5 8.521 2.601 -4.300
31 HB3 PRO 5 1HB PRO 5 9.729 2.825 -3.030
32 HG2 PRO 5 2HG PRO 5 7.338 1.033 -3.076
33 HG3 PRO 5 1HG PRO 5 8.969 0.707 -2.464
34 HD2 PRO 5 2HD PRO 5 6.834 1.392 -0.873
35 HD3 PRO 5 1HD PRO 5 8.532 1.679 -0.441
36 H ARG 6 H ARG 6 7.418 5.551 -4.453
37 HA ARG 6 HA ARG 6 4.616 5.520 -4.506
38 HB2 ARG 6 2HB ARG 6 5.884 7.394 -5.398
39 HB3 ARG 6 1HB ARG 6 6.568 6.370 -6.653
40 HG2 ARG 6 2HG ARG 6 4.760 7.823 -7.474
41 HG3 ARG 6 1HG ARG 6 4.408 6.106 -7.683
42 HD2 ARG 6 2HD ARG 6 3.007 6.150 -5.678
43 HD3 ARG 6 1HD ARG 6 3.367 7.863 -5.460
44 HE ARG 6 HE ARG 6 2.325 7.597 -8.010
45 HH11 ARG 6 1HH1 ARG 6 1.244 6.988 -4.743
46 HH12 ARG 6 2HH1 ARG 6 -0.415 7.347 -5.081
47 HH21 ARG 6 1HH2 ARG 6 0.129 8.077 -8.473
48 HH22 ARG 6 2HH2 ARG 6 -1.052 7.973 -7.210
49 H ILE 7 H ILE 7 3.374 3.896 -5.031
50 HA ILE 7 HA ILE 7 3.837 2.418 -7.491
51 HB ILE 7 HB ILE 7 4.965 1.142 -5.637
52 HG12 ILE 7 2HG1 ILE 7 2.573 -0.230 -6.889
53 HG13 ILE 7 1HG1 ILE 7 4.131 0.014 -7.670
54 HG21 ILE 7 1HG2 ILE 7 3.496 1.691 -3.805
55 HG22 ILE 7 2HG2 ILE 7 3.525 -0.059 -4.027
56 HG23 ILE 7 3HG2 ILE 7 2.147 0.881 -4.599
57 HD11 ILE 7 3HD1 ILE 7 4.632 -2.018 -6.923
58 HD12 ILE 7 1HD1 ILE 7 3.284 -2.026 -5.785
59 HD13 ILE 7 2HD1 ILE 7 4.812 -1.264 -5.339
60 H LEU 8 H LEU 8 1.913 1.184 -8.118
61 HA LEU 8 HA LEU 8 -0.549 2.152 -6.841
62 HB2 LEU 8 2HB LEU 8 0.131 2.043 -9.771
63 HB3 LEU 8 1HB LEU 8 -1.526 2.119 -9.201
64 HG LEU 8 HG LEU 8 0.464 4.175 -8.324
65 HD11 LEU 8 1HD1 LEU 8 0.113 3.771 -10.957
66 HD12 LEU 8 2HD1 LEU 8 0.370 5.364 -10.246
67 HD13 LEU 8 3HD1 LEU 8 -1.265 4.820 -10.626
68 HD21 LEU 8 3HD2 LEU 8 -2.502 4.358 -8.793
69 HD22 LEU 8 1HD2 LEU 8 -1.465 5.540 -7.993
70 HD23 LEU 8 2HD2 LEU 8 -1.765 3.975 -7.237
71 H LYS 9 H LYS 9 -0.556 0.167 -5.715
72 HA LYS 9 HA LYS 9 -1.532 -2.071 -7.356
73 HB2 LYS 9 2HB LYS 9 0.662 -2.752 -6.809
74 HB3 LYS 9 1HB LYS 9 0.560 -2.087 -5.189
75 HG2 LYS 9 2HG LYS 9 -1.300 -4.297 -5.830
76 HG3 LYS 9 1HG LYS 9 0.416 -4.698 -5.712
77 HD2 LYS 9 2HD LYS 9 0.382 -3.395 -3.513
78 HD3 LYS 9 1HD LYS 9 -1.374 -3.492 -3.628
79 HE2 LYS 9 2HE LYS 9 0.422 -5.905 -3.720
80 HE3 LYS 9 1HE LYS 9 -0.247 -5.259 -2.224
81 HZ1 LYS 9 3HZ LYS 9 -2.390 -5.502 -3.916
82 HZ2 LYS 9 1HZ LYS 9 -2.005 -6.511 -2.610
83 HZ3 LYS 9 2HZ LYS 9 -1.484 -6.910 -4.173
84 H LYS 10 H LYS 10 -3.460 -2.825 -6.704
85 HA LYS 10 HA LYS 10 -4.856 -1.582 -4.591
86 HB2 LYS 10 2HB LYS 10 -5.437 -4.002 -6.276
87 HB3 LYS 10 1HB LYS 10 -6.488 -3.558 -4.936
88 HG2 LYS 10 2HG LYS 10 -6.710 -1.297 -5.991
89 HG3 LYS 10 1HG LYS 10 -5.872 -1.945 -7.398
90 HD2 LYS 10 2HD LYS 10 -8.231 -2.065 -7.807
91 HD3 LYS 10 1HD LYS 10 -7.636 -3.708 -7.542
92 HE2 LYS 10 2HE LYS 10 -8.431 -3.646 -5.246
93 HE3 LYS 10 1HE LYS 10 -8.967 -1.979 -5.457
94 HZ1 LYS 10 3HZ LYS 10 -10.620 -3.967 -5.711
95 HZ2 LYS 10 1HZ LYS 10 -10.003 -4.020 -7.286
96 HZ3 LYS 10 2HZ LYS 10 -10.741 -2.610 -6.714
97 H CYS 11 H CYS 11 -4.834 -1.938 -2.531
98 HA CYS 11 HA CYS 11 -3.360 -4.224 -1.501
99 HB2 CYS 11 2HB CYS 11 -3.435 -2.936 0.636
100 HB3 CYS 11 1HB CYS 11 -2.638 -2.097 -0.691
101 H ARG 12 H ARG 12 -4.094 -5.626 -0.020
102 HA ARG 12 HA ARG 12 -7.008 -5.744 0.378
103 HB2 ARG 12 2HB ARG 12 -4.914 -7.930 0.537
104 HB3 ARG 12 1HB ARG 12 -6.633 -8.157 0.837
105 HG2 ARG 12 2HG ARG 12 -7.169 -7.671 -1.436
106 HG3 ARG 12 1HG ARG 12 -5.513 -7.168 -1.775
107 HD2 ARG 12 2HD ARG 12 -6.291 -9.952 -0.919
108 HD3 ARG 12 1HD ARG 12 -6.098 -9.455 -2.599
109 HE ARG 12 HE ARG 12 -3.759 -8.757 -1.257
110 HH11 ARG 12 1HH1 ARG 12 -5.500 -11.676 -2.106
111 HH12 ARG 12 2HH1 ARG 12 -4.072 -12.652 -2.200
112 HH21 ARG 12 1HH2 ARG 12 -1.883 -10.009 -1.378
113 HH22 ARG 12 2HH2 ARG 12 -1.999 -11.702 -1.781
114 H ARG 13 H ARG 13 -4.061 -5.109 1.792
115 HA ARG 13 HA ARG 13 -4.928 -4.322 4.282
116 HB2 ARG 13 2HB ARG 13 -3.854 -6.107 5.719
117 HB3 ARG 13 1HB ARG 13 -5.367 -6.570 4.965
118 HG2 ARG 13 2HG ARG 13 -4.069 -7.753 3.211
119 HG3 ARG 13 1HG ARG 13 -2.596 -7.369 4.101
120 HD2 ARG 13 2HD ARG 13 -4.913 -8.860 5.318
121 HD3 ARG 13 1HD ARG 13 -3.576 -9.668 4.502
122 HE ARG 13 HE ARG 13 -2.443 -7.995 6.396
123 HH11 ARG 13 1HH1 ARG 13 -4.628 -10.728 6.392
124 HH12 ARG 13 2HH1 ARG 13 -4.090 -11.329 7.924
125 HH21 ARG 13 1HH2 ARG 13 -1.712 -8.782 8.410
126 HH22 ARG 13 2HH2 ARG 13 -2.425 -10.215 9.083
127 H ASP 14 H ASP 14 -2.986 -3.866 5.733
128 HA ASP 14 HA ASP 14 -0.972 -2.637 4.221
129 HB2 ASP 14 2HB ASP 14 -0.807 -3.468 7.127
130 HB3 ASP 14 1HB ASP 14 0.256 -2.317 6.324
131 H SER 15 H SER 15 -1.079 -5.776 5.786
132 HA SER 15 HA SER 15 1.617 -6.510 5.430
133 HB2 SER 15 2HB SER 15 -0.650 -8.488 5.385
134 HB3 SER 15 1HB SER 15 0.951 -8.655 6.107
135 HG SER 15 HG SER 15 0.274 -6.950 7.589
136 H ASP 16 H ASP 16 -1.006 -6.272 3.250
137 HA ASP 16 HA ASP 16 0.062 -8.079 1.256
138 HB2 ASP 16 2HB ASP 16 -2.361 -7.842 1.541
139 HB3 ASP 16 1HB ASP 16 -2.252 -6.121 1.202
140 H CYS 17 H CYS 17 0.490 -4.891 2.245
141 HA CYS 17 HA CYS 17 1.388 -3.886 -0.330
142 HB2 CYS 17 2HB CYS 17 1.087 -2.641 2.403
143 HB3 CYS 17 1HB CYS 17 1.818 -1.784 1.050
144 HA PRO 18 HA PRO 18 5.600 -5.024 0.389
145 HB2 PRO 18 2HB PRO 18 6.829 -3.241 -1.248
146 HB3 PRO 18 1HB PRO 18 5.975 -4.670 -1.840
147 HG2 PRO 18 2HG PRO 18 5.037 -1.829 -1.688
148 HG3 PRO 18 1HG PRO 18 4.826 -3.007 -2.997
149 HD2 PRO 18 2HD PRO 18 2.859 -2.443 -1.229
150 HD3 PRO 18 1HD PRO 18 3.063 -4.058 -1.937
151 H GLY 19 H GLY 19 7.291 -4.458 1.667
152 HA2 GLY 19 2HA GLY 19 8.486 -3.300 3.247
153 HA3 GLY 19 1HA GLY 19 8.158 -1.870 2.277
154 H GLU 20 H GLU 20 7.452 -0.330 3.609
155 HA GLU 20 HA GLU 20 5.625 -1.069 5.773
156 HB2 GLU 20 2HB GLU 20 7.142 1.489 5.267
157 HB3 GLU 20 1HB GLU 20 6.059 1.218 6.623
158 HG2 GLU 20 2HG GLU 20 7.543 -0.664 7.320
159 HG3 GLU 20 1HG GLU 20 8.672 -0.151 6.063
160 H CYS 21 H CYS 21 5.071 -0.600 2.753
161 HA CYS 21 HA CYS 21 3.508 1.721 2.517
162 HB2 CYS 21 2HB CYS 21 3.359 -0.913 1.051
163 HB3 CYS 21 1HB CYS 21 2.398 0.495 0.611
164 H ILE 22 H ILE 22 1.378 2.146 2.858
165 HA ILE 22 HA ILE 22 -0.053 0.141 4.474
166 HB ILE 22 HB ILE 22 -1.333 2.006 5.444
167 HG12 ILE 22 2HG1 ILE 22 0.619 3.771 3.944
168 HG13 ILE 22 1HG1 ILE 22 -1.090 3.591 3.562
169 HG21 ILE 22 1HG2 ILE 22 0.790 1.093 6.437
170 HG22 ILE 22 2HG2 ILE 22 0.336 2.718 6.960
171 HG23 ILE 22 3HG2 ILE 22 1.615 2.501 5.763
172 HD11 ILE 22 3HD1 ILE 22 -0.509 4.384 6.328
173 HD12 ILE 22 1HD1 ILE 22 -1.729 4.980 5.202
174 HD13 ILE 22 2HD1 ILE 22 -0.067 5.560 5.089
175 H CYS 23 H CYS 23 -2.289 -0.071 4.233
176 HA CYS 23 HA CYS 23 -3.156 0.177 1.486
177 HB2 CYS 23 2HB CYS 23 -3.635 -1.793 3.042
178 HB3 CYS 23 1HB CYS 23 -4.796 -0.752 3.853
179 H LYS 24 H LYS 24 -3.464 2.334 1.001
180 HA LYS 24 HA LYS 24 -4.845 4.014 2.876
181 HB2 LYS 24 2HB LYS 24 -4.564 5.812 1.238
182 HB3 LYS 24 1HB LYS 24 -3.064 4.994 1.611
183 HG2 LYS 24 2HG LYS 24 -3.107 3.839 -0.479
184 HG3 LYS 24 1HG LYS 24 -4.714 4.472 -0.841
185 HD2 LYS 24 2HD LYS 24 -3.233 5.824 -2.075
186 HD3 LYS 24 1HD LYS 24 -3.673 6.789 -0.668
187 HE2 LYS 24 2HE LYS 24 -1.163 5.132 -0.841
188 HE3 LYS 24 1HE LYS 24 -1.240 6.833 -1.287
189 HZ1 LYS 24 3HZ LYS 24 -0.461 6.218 1.055
190 HZ2 LYS 24 1HZ LYS 24 -2.096 5.924 1.388
191 HZ3 LYS 24 2HZ LYS 24 -1.600 7.465 0.906
192 H GLY 25 H GLY 25 -6.596 5.488 2.072
193 HA2 GLY 25 2HA GLY 25 -8.961 4.164 1.946
194 HA3 GLY 25 1HA GLY 25 -8.758 5.832 1.469
195 H ASN 26 H ASN 26 -7.143 5.241 -0.906
196 HA ASN 26 HA ASN 26 -9.373 4.676 -2.640
197 HB2 ASN 26 2HB ASN 26 -8.068 5.402 -4.436
198 HB3 ASN 26 1HB ASN 26 -7.483 6.365 -3.085
199 HD21 ASN 26 1HD2 ASN 26 -6.538 4.682 -5.695
200 HD22 ASN 26 2HD2 ASN 26 -4.937 4.244 -5.213
201 H GLY 27 H GLY 27 -7.758 2.582 -0.920
202 HA2 GLY 27 2HA GLY 27 -7.605 0.297 -1.043
203 HA3 GLY 27 1HA GLY 27 -8.386 0.380 -2.612
204 H TYR 28 H TYR 28 -5.473 2.166 -2.006
205 HA TYR 28 HA TYR 28 -3.951 0.166 -3.532
206 HB2 TYR 28 2HB TYR 28 -4.070 3.131 -3.946
207 HB3 TYR 28 1HB TYR 28 -2.582 2.265 -4.301
208 HD1 TYR 28 1HD TYR 28 -6.097 1.157 -4.879
209 HD2 TYR 28 2HD TYR 28 -2.402 2.381 -6.616
210 HE1 TYR 28 1HE TYR 28 -6.947 0.561 -7.100
211 HE2 TYR 28 2HE TYR 28 -3.255 1.780 -8.838
212 HH TYR 28 HH TYR 28 -5.052 1.163 -10.025
213 H CYS 29 H CYS 29 -1.678 0.236 -3.192
214 HA CYS 29 HA CYS 29 -1.057 0.571 -0.399
215 HB2 CYS 29 2HB CYS 29 0.493 -0.473 -2.765
216 HB3 CYS 29 1HB CYS 29 1.208 -0.325 -1.158
217 H GLY 30 H GLY 30 -0.218 2.333 0.486
218 HA2 GLY 30 2HA GLY 30 1.844 3.846 -0.798
219 HA3 GLY 30 1HA GLY 30 0.305 4.702 -0.806
Start of MODEL 6
1 H1 PCA 1 H PCA 1 5.090 6.308 10.953
2 HA PCA 1 HA PCA 1 6.571 7.833 9.722
3 HB2 PCA 1 1HB PCA 1 9.095 6.741 10.544
4 HB3 PCA 1 2HB PCA 1 8.387 8.278 11.073
5 HG2 PCA 1 1HG PCA 1 8.712 5.871 12.601
6 HG3 PCA 1 2HG PCA 1 7.947 7.397 13.114
7 H ARG 2 H ARG 2 5.344 5.430 8.940
8 HA ARG 2 HA ARG 2 7.116 3.516 7.874
9 HB2 ARG 2 2HB ARG 2 4.308 4.176 6.981
10 HB3 ARG 2 1HB ARG 2 5.195 2.708 6.597
11 HG2 ARG 2 2HG ARG 2 4.561 3.524 9.409
12 HG3 ARG 2 1HG ARG 2 3.467 2.563 8.423
13 HD2 ARG 2 2HD ARG 2 4.711 1.051 9.771
14 HD3 ARG 2 1HD ARG 2 5.322 0.909 8.126
15 HE ARG 2 HE ARG 2 7.369 1.480 8.923
16 HH11 ARG 2 1HH1 ARG 2 4.996 2.757 11.177
17 HH12 ARG 2 2HH1 ARG 2 6.182 3.494 12.209
18 HH21 ARG 2 1HH2 ARG 2 8.912 2.384 10.262
19 HH22 ARG 2 2HH2 ARG 2 8.433 3.252 11.692
20 H ALA 3 H ALA 3 8.139 3.367 6.011
21 HA ALA 3 HA ALA 3 8.002 5.682 4.206
22 HB1 ALA 3 1HB ALA 3 10.159 4.891 3.331
23 HB2 ALA 3 2HB ALA 3 10.110 3.543 4.469
24 HB3 ALA 3 3HB ALA 3 10.212 5.199 5.068
25 H CYS 4 H CYS 4 7.410 5.511 2.129
26 HA CYS 4 HA CYS 4 7.226 2.950 0.815
27 HB2 CYS 4 2HB CYS 4 5.080 3.046 2.027
28 HB3 CYS 4 1HB CYS 4 4.729 4.604 1.287
29 HA PRO 5 HA PRO 5 8.176 5.812 -2.451
30 HB2 PRO 5 2HB PRO 5 8.615 4.019 -4.385
31 HB3 PRO 5 1HB PRO 5 9.712 4.156 -3.005
32 HG2 PRO 5 2HG PRO 5 7.548 2.153 -3.514
33 HG3 PRO 5 1HG PRO 5 9.173 1.902 -2.850
34 HD2 PRO 5 2HD PRO 5 6.874 2.113 -1.328
35 HD3 PRO 5 1HD PRO 5 8.513 2.437 -0.733
36 H ARG 6 H ARG 6 7.538 5.174 -5.130
37 HA ARG 6 HA ARG 6 4.663 5.684 -5.077
38 HB2 ARG 6 2HB ARG 6 6.047 7.279 -6.327
39 HB3 ARG 6 1HB ARG 6 6.663 5.975 -7.332
40 HG2 ARG 6 2HG ARG 6 4.925 7.308 -8.452
41 HG3 ARG 6 1HG ARG 6 4.475 5.609 -8.280
42 HD2 ARG 6 2HD ARG 6 3.119 6.177 -6.317
43 HD3 ARG 6 1HD ARG 6 3.563 7.873 -6.503
44 HE ARG 6 HE ARG 6 2.456 7.082 -8.912
45 HH11 ARG 6 1HH1 ARG 6 1.428 7.301 -5.578
46 HH12 ARG 6 2HH1 ARG 6 -0.225 7.642 -5.968
47 HH21 ARG 6 1HH2 ARG 6 0.265 7.534 -9.445
48 HH22 ARG 6 2HH2 ARG 6 -0.889 7.776 -8.177
49 H ILE 7 H ILE 7 3.334 4.042 -5.378
50 HA ILE 7 HA ILE 7 3.908 2.051 -7.408
51 HB ILE 7 HB ILE 7 4.914 1.179 -5.272
52 HG12 ILE 7 2HG1 ILE 7 2.570 -0.413 -6.341
53 HG13 ILE 7 1HG1 ILE 7 4.159 -0.322 -7.093
54 HG21 ILE 7 1HG2 ILE 7 3.351 2.092 -3.677
55 HG22 ILE 7 2HG2 ILE 7 3.368 0.332 -3.544
56 HG23 ILE 7 3HG2 ILE 7 2.039 1.141 -4.374
57 HD11 ILE 7 3HD1 ILE 7 4.194 -1.152 -4.287
58 HD12 ILE 7 1HD1 ILE 7 5.039 -1.818 -5.686
59 HD13 ILE 7 2HD1 ILE 7 3.359 -2.258 -5.377
60 H LEU 8 H LEU 8 2.012 0.755 -7.912
61 HA LEU 8 HA LEU 8 -0.506 1.886 -6.939
62 HB2 LEU 8 2HB LEU 8 0.377 1.555 -9.790
63 HB3 LEU 8 1HB LEU 8 -1.324 1.583 -9.367
64 HG LEU 8 HG LEU 8 0.472 3.804 -8.481
65 HD11 LEU 8 1HD1 LEU 8 0.796 3.494 -10.925
66 HD12 LEU 8 2HD1 LEU 8 0.026 5.026 -10.507
67 HD13 LEU 8 3HD1 LEU 8 -0.943 3.696 -11.141
68 HD21 LEU 8 3HD2 LEU 8 -1.473 5.012 -8.198
69 HD22 LEU 8 1HD2 LEU 8 -1.980 3.385 -7.748
70 HD23 LEU 8 2HD2 LEU 8 -2.377 4.021 -9.343
71 H LYS 9 H LYS 9 -0.236 -0.095 -5.645
72 HA LYS 9 HA LYS 9 -1.207 -2.460 -7.113
73 HB2 LYS 9 2HB LYS 9 1.077 -2.720 -6.168
74 HB3 LYS 9 1HB LYS 9 0.449 -2.354 -4.572
75 HG2 LYS 9 2HG LYS 9 -0.678 -4.662 -6.092
76 HG3 LYS 9 1HG LYS 9 0.889 -4.819 -5.296
77 HD2 LYS 9 2HD LYS 9 -0.118 -4.201 -3.164
78 HD3 LYS 9 1HD LYS 9 -1.682 -3.982 -3.953
79 HE2 LYS 9 2HE LYS 9 -1.969 -6.097 -3.170
80 HE3 LYS 9 1HE LYS 9 -1.227 -6.474 -4.720
81 HZ1 LYS 9 3HZ LYS 9 0.678 -7.171 -3.733
82 HZ2 LYS 9 1HZ LYS 9 -0.380 -7.493 -2.446
83 HZ3 LYS 9 2HZ LYS 9 0.559 -6.085 -2.440
84 H LYS 10 H LYS 10 -3.226 -3.082 -6.591
85 HA LYS 10 HA LYS 10 -4.745 -1.717 -4.621
86 HB2 LYS 10 2HB LYS 10 -5.254 -4.068 -6.402
87 HB3 LYS 10 1HB LYS 10 -6.355 -3.758 -5.066
88 HG2 LYS 10 2HG LYS 10 -6.704 -1.474 -5.940
89 HG3 LYS 10 1HG LYS 10 -5.697 -1.879 -7.328
90 HD2 LYS 10 2HD LYS 10 -8.002 -2.132 -7.950
91 HD3 LYS 10 1HD LYS 10 -7.275 -3.737 -7.845
92 HE2 LYS 10 2HE LYS 10 -8.246 -4.054 -5.640
93 HE3 LYS 10 1HE LYS 10 -8.923 -2.427 -5.685
94 HZ1 LYS 10 3HZ LYS 10 -10.311 -4.551 -6.369
95 HZ2 LYS 10 1HZ LYS 10 -9.621 -4.220 -7.878
96 HZ3 LYS 10 2HZ LYS 10 -10.556 -3.046 -7.101
97 H CYS 11 H CYS 11 -4.697 -1.998 -2.535
98 HA CYS 11 HA CYS 11 -3.492 -4.411 -1.443
99 HB2 CYS 11 2HB CYS 11 -3.524 -3.113 0.697
100 HB3 CYS 11 1HB CYS 11 -2.591 -2.374 -0.598
101 H ARG 12 H ARG 12 -4.408 -5.771 -0.033
102 HA ARG 12 HA ARG 12 -7.316 -5.500 0.395
103 HB2 ARG 12 2HB ARG 12 -7.454 -7.928 0.461
104 HB3 ARG 12 1HB ARG 12 -6.703 -7.422 -1.044
105 HG2 ARG 12 2HG ARG 12 -4.519 -7.796 0.519
106 HG3 ARG 12 1HG ARG 12 -5.620 -9.016 1.166
107 HD2 ARG 12 2HD ARG 12 -4.368 -10.039 -0.588
108 HD3 ARG 12 1HD ARG 12 -6.010 -9.784 -1.185
109 HE ARG 12 HE ARG 12 -4.305 -7.588 -1.826
110 HH11 ARG 12 1HH1 ARG 12 -5.075 -10.866 -2.796
111 HH12 ARG 12 2HH1 ARG 12 -4.583 -10.629 -4.440
112 HH21 ARG 12 1HH2 ARG 12 -3.676 -7.260 -3.968
113 HH22 ARG 12 2HH2 ARG 12 -3.780 -8.561 -5.115
114 H ARG 13 H ARG 13 -4.551 -4.947 1.747
115 HA ARG 13 HA ARG 13 -5.235 -4.548 4.325
116 HB2 ARG 13 2HB ARG 13 -4.098 -6.427 5.548
117 HB3 ARG 13 1HB ARG 13 -5.623 -6.854 4.798
118 HG2 ARG 13 2HG ARG 13 -4.226 -7.748 2.859
119 HG3 ARG 13 1HG ARG 13 -2.847 -7.607 3.954
120 HD2 ARG 13 2HD ARG 13 -3.831 -9.864 3.974
121 HD3 ARG 13 1HD ARG 13 -3.920 -9.077 5.551
122 HE ARG 13 HE ARG 13 -6.296 -8.558 4.144
123 HH11 ARG 13 1HH1 ARG 13 -4.627 -11.227 5.675
124 HH12 ARG 13 2HH1 ARG 13 -6.077 -12.092 6.054
125 HH21 ARG 13 1HH2 ARG 13 -8.224 -9.693 4.649
126 HH22 ARG 13 2HH2 ARG 13 -8.131 -11.216 5.469
127 H ASP 14 H ASP 14 -3.369 -4.034 5.673
128 HA ASP 14 HA ASP 14 -1.362 -2.722 4.240
129 HB2 ASP 14 2HB ASP 14 -1.321 -3.602 7.132
130 HB3 ASP 14 1HB ASP 14 -0.250 -2.400 6.413
131 H SER 15 H SER 15 -1.378 -5.905 5.737
132 HA SER 15 HA SER 15 1.356 -6.506 5.449
133 HB2 SER 15 2HB SER 15 -0.860 -8.544 5.302
134 HB3 SER 15 1HB SER 15 0.752 -8.726 5.992
135 HG SER 15 HG SER 15 0.090 -7.124 7.570
136 H ASP 16 H ASP 16 -1.185 -6.310 3.168
137 HA ASP 16 HA ASP 16 0.027 -8.037 1.190
138 HB2 ASP 16 2HB ASP 16 -2.380 -7.942 1.298
139 HB3 ASP 16 1HB ASP 16 -2.371 -6.192 1.148
140 H CYS 17 H CYS 17 0.446 -4.894 2.271
141 HA CYS 17 HA CYS 17 1.368 -3.838 -0.272
142 HB2 CYS 17 2HB CYS 17 1.036 -2.646 2.473
143 HB3 CYS 17 1HB CYS 17 1.841 -1.779 1.168
144 HA PRO 18 HA PRO 18 5.557 -5.026 0.414
145 HB2 PRO 18 2HB PRO 18 6.781 -3.334 -1.307
146 HB3 PRO 18 1HB PRO 18 5.829 -4.722 -1.846
147 HG2 PRO 18 2HG PRO 18 5.040 -1.838 -1.678
148 HG3 PRO 18 1HG PRO 18 4.728 -3.009 -2.974
149 HD2 PRO 18 2HD PRO 18 2.868 -2.343 -1.115
150 HD3 PRO 18 1HD PRO 18 2.946 -3.950 -1.862
151 H GLY 19 H GLY 19 7.339 -4.448 1.590
152 HA2 GLY 19 2HA GLY 19 8.618 -3.267 3.082
153 HA3 GLY 19 1HA GLY 19 8.226 -1.849 2.121
154 H GLU 20 H GLU 20 7.553 -0.294 3.438
155 HA GLU 20 HA GLU 20 5.850 -1.018 5.713
156 HB2 GLU 20 2HB GLU 20 7.351 1.541 5.143
157 HB3 GLU 20 1HB GLU 20 6.372 1.233 6.569
158 HG2 GLU 20 2HG GLU 20 7.904 -0.629 7.150
159 HG3 GLU 20 1HG GLU 20 8.922 -0.155 5.788
160 H CYS 21 H CYS 21 5.133 -0.588 2.740
161 HA CYS 21 HA CYS 21 3.569 1.772 2.622
162 HB2 CYS 21 2HB CYS 21 3.344 -0.793 1.036
163 HB3 CYS 21 1HB CYS 21 2.485 0.696 0.658
164 H ILE 22 H ILE 22 1.406 2.113 2.977
165 HA ILE 22 HA ILE 22 0.045 -0.007 4.512
166 HB ILE 22 HB ILE 22 -1.260 1.819 5.585
167 HG12 ILE 22 2HG1 ILE 22 0.789 3.635 4.287
168 HG13 ILE 22 1HG1 ILE 22 -0.906 3.527 3.821
169 HG21 ILE 22 1HG2 ILE 22 0.518 0.884 6.835
170 HG22 ILE 22 2HG2 ILE 22 0.647 2.633 7.018
171 HG23 ILE 22 3HG2 ILE 22 1.729 1.781 5.917
172 HD11 ILE 22 3HD1 ILE 22 0.322 4.745 6.240
173 HD12 ILE 22 1HD1 ILE 22 -1.325 4.118 6.328
174 HD13 ILE 22 2HD1 ILE 22 -0.923 5.378 5.162
175 H CYS 23 H CYS 23 -2.263 -0.144 4.299
176 HA CYS 23 HA CYS 23 -3.074 0.145 1.550
177 HB2 CYS 23 2HB CYS 23 -3.692 -1.760 3.155
178 HB3 CYS 23 1HB CYS 23 -4.852 -0.638 3.860
179 H LYS 24 H LYS 24 -3.358 2.248 0.953
180 HA LYS 24 HA LYS 24 -4.596 4.155 2.702
181 HB2 LYS 24 2HB LYS 24 -4.165 4.433 -0.276
182 HB3 LYS 24 1HB LYS 24 -4.381 5.725 0.894
183 HG2 LYS 24 2HG LYS 24 -2.244 4.759 1.984
184 HG3 LYS 24 1HG LYS 24 -2.007 3.986 0.416
185 HD2 LYS 24 2HD LYS 24 -0.898 5.928 0.006
186 HD3 LYS 24 1HD LYS 24 -2.524 6.468 -0.420
187 HE2 LYS 24 2HE LYS 24 -1.527 8.122 1.003
188 HE3 LYS 24 1HE LYS 24 -2.798 7.298 1.905
189 HZ1 LYS 24 3HZ LYS 24 -0.535 7.696 3.031
190 HZ2 LYS 24 1HZ LYS 24 0.010 6.388 2.100
191 HZ3 LYS 24 2HZ LYS 24 -1.258 6.178 3.206
192 H GLY 25 H GLY 25 -6.622 5.201 2.408
193 HA2 GLY 25 2HA GLY 25 -8.832 3.588 2.071
194 HA3 GLY 25 1HA GLY 25 -8.871 5.339 1.952
195 H ASN 26 H ASN 26 -7.004 5.186 -0.368
196 HA ASN 26 HA ASN 26 -8.862 5.270 -2.471
197 HB2 ASN 26 2HB ASN 26 -6.978 6.547 -2.871
198 HB3 ASN 26 1HB ASN 26 -5.888 5.346 -2.201
199 HD21 ASN 26 1HD2 ASN 26 -4.614 4.480 -3.601
200 HD22 ASN 26 2HD2 ASN 26 -4.939 4.192 -5.269
201 H GLY 27 H GLY 27 -7.099 2.662 -1.039
202 HA2 GLY 27 2HA GLY 27 -7.773 0.398 -1.376
203 HA3 GLY 27 1HA GLY 27 -8.282 0.822 -3.007
204 H TYR 28 H TYR 28 -5.423 2.320 -2.394
205 HA TYR 28 HA TYR 28 -3.867 0.109 -3.538
206 HB2 TYR 28 2HB TYR 28 -3.796 3.038 -4.223
207 HB3 TYR 28 1HB TYR 28 -2.408 1.996 -4.521
208 HD1 TYR 28 1HD TYR 28 -6.059 1.334 -4.976
209 HD2 TYR 28 2HD TYR 28 -2.248 1.780 -6.808
210 HE1 TYR 28 1HE TYR 28 -7.008 0.609 -7.122
211 HE2 TYR 28 2HE TYR 28 -3.190 1.058 -8.949
212 HH TYR 28 HH TYR 28 -5.502 1.050 -10.046
213 H CYS 29 H CYS 29 -1.624 0.176 -3.121
214 HA CYS 29 HA CYS 29 -1.062 0.647 -0.348
215 HB2 CYS 29 2HB CYS 29 0.644 -0.316 -2.647
216 HB3 CYS 29 1HB CYS 29 1.242 -0.172 -0.994
217 H GLY 30 H GLY 30 -0.069 2.313 0.580
218 HA2 GLY 30 2HA GLY 30 1.757 4.020 -0.808
219 HA3 GLY 30 1HA GLY 30 0.178 4.777 -0.608
Start of MODEL 7
1 H1 PCA 1 H PCA 1 4.899 9.864 7.773
2 HA PCA 1 HA PCA 1 3.850 8.160 9.345
3 HB2 PCA 1 1HB PCA 1 2.632 6.682 7.151
4 HB3 PCA 1 2HB PCA 1 1.831 7.428 8.547
5 HG2 PCA 1 1HG PCA 1 1.896 8.356 5.823
6 HG3 PCA 1 2HG PCA 1 1.076 9.095 7.221
7 H ARG 2 H ARG 2 3.666 5.617 7.567
8 HA ARG 2 HA ARG 2 6.379 4.809 7.863
9 HB2 ARG 2 2HB ARG 2 4.095 3.474 6.409
10 HB3 ARG 2 1HB ARG 2 5.636 2.718 6.789
11 HG2 ARG 2 2HG ARG 2 5.184 2.825 9.136
12 HG3 ARG 2 1HG ARG 2 3.726 3.784 8.855
13 HD2 ARG 2 2HD ARG 2 2.995 1.574 9.231
14 HD3 ARG 2 1HD ARG 2 2.861 1.850 7.498
15 HE ARG 2 HE ARG 2 5.345 0.615 8.344
16 HH11 ARG 2 1HH1 ARG 2 2.066 0.081 7.188
17 HH12 ARG 2 2HH1 ARG 2 2.373 -1.544 6.679
18 HH21 ARG 2 1HH2 ARG 2 5.744 -1.541 7.710
19 HH22 ARG 2 2HH2 ARG 2 4.467 -2.470 6.974
20 H ALA 3 H ALA 3 8.000 4.729 6.351
21 HA ALA 3 HA ALA 3 7.721 6.281 3.984
22 HB1 ALA 3 1HB ALA 3 10.018 5.577 3.483
23 HB2 ALA 3 2HB ALA 3 9.957 4.446 4.837
24 HB3 ALA 3 3HB ALA 3 9.851 6.184 5.130
25 H CYS 4 H CYS 4 7.295 5.673 1.939
26 HA CYS 4 HA CYS 4 7.542 2.935 1.094
27 HB2 CYS 4 2HB CYS 4 5.473 2.532 2.058
28 HB3 CYS 4 1HB CYS 4 4.880 4.152 1.717
29 HA PRO 5 HA PRO 5 8.066 5.092 -2.746
30 HB2 PRO 5 2HB PRO 5 7.881 2.540 -4.109
31 HB3 PRO 5 1HB PRO 5 9.308 3.542 -3.843
32 HG2 PRO 5 2HG PRO 5 8.899 1.113 -2.648
33 HG3 PRO 5 1HG PRO 5 9.919 2.393 -1.971
34 HD2 PRO 5 2HD PRO 5 7.140 1.589 -1.228
35 HD3 PRO 5 1HD PRO 5 8.469 2.164 -0.201
36 H ARG 6 H ARG 6 6.636 5.916 -4.206
37 HA ARG 6 HA ARG 6 3.905 5.197 -4.003
38 HB2 ARG 6 2HB ARG 6 5.391 7.063 -5.842
39 HB3 ARG 6 1HB ARG 6 3.647 6.832 -5.933
40 HG2 ARG 6 2HG ARG 6 5.088 7.685 -3.434
41 HG3 ARG 6 1HG ARG 6 4.375 8.809 -4.594
42 HD2 ARG 6 2HD ARG 6 2.224 8.219 -4.051
43 HD3 ARG 6 1HD ARG 6 2.686 6.600 -3.533
44 HE ARG 6 HE ARG 6 2.666 9.015 -1.933
45 HH11 ARG 6 1HH1 ARG 6 3.727 5.683 -2.197
46 HH12 ARG 6 2HH1 ARG 6 4.025 5.506 -0.501
47 HH21 ARG 6 1HH2 ARG 6 3.064 8.776 0.322
48 HH22 ARG 6 2HH2 ARG 6 3.625 7.256 0.933
49 H ILE 7 H ILE 7 2.924 3.589 -4.906
50 HA ILE 7 HA ILE 7 3.532 2.793 -7.635
51 HB ILE 7 HB ILE 7 4.955 1.369 -6.112
52 HG12 ILE 7 2HG1 ILE 7 2.802 -0.098 -7.657
53 HG13 ILE 7 1HG1 ILE 7 4.256 0.605 -8.358
54 HG21 ILE 7 1HG2 ILE 7 3.468 1.204 -4.217
55 HG22 ILE 7 2HG2 ILE 7 3.811 -0.412 -4.838
56 HG23 ILE 7 3HG2 ILE 7 2.267 0.363 -5.198
57 HD11 ILE 7 3HD1 ILE 7 4.644 -1.331 -6.163
58 HD12 ILE 7 1HD1 ILE 7 5.579 -1.076 -7.636
59 HD13 ILE 7 2HD1 ILE 7 4.057 -1.964 -7.701
60 H LEU 8 H LEU 8 1.810 1.553 -8.575
61 HA LEU 8 HA LEU 8 -0.735 2.107 -7.277
62 HB2 LEU 8 2HB LEU 8 0.021 1.534 -10.120
63 HB3 LEU 8 1HB LEU 8 -1.649 1.504 -9.588
64 HG LEU 8 HG LEU 8 -0.013 3.916 -8.990
65 HD11 LEU 8 1HD1 LEU 8 0.526 3.910 -11.230
66 HD12 LEU 8 2HD1 LEU 8 -1.025 4.749 -11.266
67 HD13 LEU 8 3HD1 LEU 8 -0.938 3.038 -11.686
68 HD21 LEU 8 3HD2 LEU 8 -2.062 4.254 -8.094
69 HD22 LEU 8 1HD2 LEU 8 -2.860 3.175 -9.237
70 HD23 LEU 8 2HD2 LEU 8 -2.410 4.806 -9.733
71 H LYS 9 H LYS 9 -0.112 0.236 -5.815
72 HA LYS 9 HA LYS 9 -0.881 -2.323 -7.051
73 HB2 LYS 9 2HB LYS 9 1.112 -2.811 -5.998
74 HB3 LYS 9 1HB LYS 9 0.879 -1.587 -4.757
75 HG2 LYS 9 2HG LYS 9 0.317 -3.214 -3.365
76 HG3 LYS 9 1HG LYS 9 -1.149 -3.444 -4.315
77 HD2 LYS 9 2HD LYS 9 0.429 -4.909 -5.812
78 HD3 LYS 9 1HD LYS 9 1.401 -4.983 -4.336
79 HE2 LYS 9 2HE LYS 9 -1.518 -5.735 -4.559
80 HE3 LYS 9 1HE LYS 9 -0.171 -6.874 -4.496
81 HZ1 LYS 9 3HZ LYS 9 -1.270 -5.165 -2.379
82 HZ2 LYS 9 1HZ LYS 9 0.346 -5.654 -2.291
83 HZ3 LYS 9 2HZ LYS 9 -0.885 -6.813 -2.327
84 H LYS 10 H LYS 10 -2.894 -3.047 -6.643
85 HA LYS 10 HA LYS 10 -4.627 -1.712 -4.827
86 HB2 LYS 10 2HB LYS 10 -4.836 -4.140 -6.539
87 HB3 LYS 10 1HB LYS 10 -5.997 -3.941 -5.228
88 HG2 LYS 10 2HG LYS 10 -6.737 -1.858 -6.099
89 HG3 LYS 10 1HG LYS 10 -5.450 -1.836 -7.302
90 HD2 LYS 10 2HD LYS 10 -6.513 -4.071 -8.091
91 HD3 LYS 10 1HD LYS 10 -7.933 -3.495 -7.207
92 HE2 LYS 10 2HE LYS 10 -6.457 -1.932 -9.301
93 HE3 LYS 10 1HE LYS 10 -7.928 -2.858 -9.608
94 HZ1 LYS 10 3HZ LYS 10 -7.659 -0.238 -8.629
95 HZ2 LYS 10 1HZ LYS 10 -8.402 -1.177 -7.431
96 HZ3 LYS 10 2HZ LYS 10 -9.085 -1.085 -8.975
97 H CYS 11 H CYS 11 -5.061 -2.214 -2.678
98 HA CYS 11 HA CYS 11 -3.514 -4.492 -1.636
99 HB2 CYS 11 2HB CYS 11 -3.384 -3.180 0.497
100 HB3 CYS 11 1HB CYS 11 -2.522 -2.473 -0.863
101 H ARG 12 H ARG 12 -4.352 -5.843 -0.192
102 HA ARG 12 HA ARG 12 -7.247 -5.666 0.288
103 HB2 ARG 12 2HB ARG 12 -5.373 -8.022 0.632
104 HB3 ARG 12 1HB ARG 12 -7.123 -8.060 0.792
105 HG2 ARG 12 2HG ARG 12 -5.568 -7.497 -1.725
106 HG3 ARG 12 1HG ARG 12 -6.458 -8.973 -1.343
107 HD2 ARG 12 2HD ARG 12 -7.669 -6.225 -1.630
108 HD3 ARG 12 1HD ARG 12 -7.706 -7.488 -2.860
109 HE ARG 12 HE ARG 12 -8.791 -8.597 -0.572
110 HH11 ARG 12 1HH1 ARG 12 -9.521 -5.920 -2.691
111 HH12 ARG 12 2HH1 ARG 12 -11.233 -6.018 -2.452
112 HH21 ARG 12 1HH2 ARG 12 -11.056 -8.742 -0.242
113 HH22 ARG 12 2HH2 ARG 12 -12.111 -7.632 -1.050
114 H ARG 13 H ARG 13 -4.291 -5.119 1.691
115 HA ARG 13 HA ARG 13 -5.174 -4.239 4.155
116 HB2 ARG 13 2HB ARG 13 -4.161 -5.996 5.649
117 HB3 ARG 13 1HB ARG 13 -5.658 -6.469 4.863
118 HG2 ARG 13 2HG ARG 13 -4.334 -7.710 3.182
119 HG3 ARG 13 1HG ARG 13 -2.870 -7.293 4.075
120 HD2 ARG 13 2HD ARG 13 -3.698 -9.550 4.619
121 HD3 ARG 13 1HD ARG 13 -3.674 -8.482 6.020
122 HE ARG 13 HE ARG 13 -6.216 -8.347 4.847
123 HH11 ARG 13 1HH1 ARG 13 -4.205 -10.639 6.567
124 HH12 ARG 13 2HH1 ARG 13 -5.542 -11.492 7.263
125 HH21 ARG 13 1HH2 ARG 13 -7.991 -9.465 5.769
126 HH22 ARG 13 2HH2 ARG 13 -7.702 -10.821 6.807
127 H ASP 14 H ASP 14 -3.283 -3.791 5.644
128 HA ASP 14 HA ASP 14 -1.198 -2.600 4.200
129 HB2 ASP 14 2HB ASP 14 -1.229 -3.375 7.124
130 HB3 ASP 14 1HB ASP 14 -0.091 -2.260 6.373
131 H SER 15 H SER 15 -1.417 -5.740 5.750
132 HA SER 15 HA SER 15 1.289 -6.495 5.564
133 HB2 SER 15 2HB SER 15 -0.970 -8.462 5.303
134 HB3 SER 15 1HB SER 15 0.556 -8.634 6.173
135 HG SER 15 HG SER 15 -0.204 -7.255 7.751
136 H ASP 16 H ASP 16 -1.250 -6.288 3.261
137 HA ASP 16 HA ASP 16 -0.113 -8.036 1.274
138 HB2 ASP 16 2HB ASP 16 -2.535 -7.681 1.457
139 HB3 ASP 16 1HB ASP 16 -2.322 -5.965 1.152
140 H CYS 17 H CYS 17 0.337 -4.828 2.306
141 HA CYS 17 HA CYS 17 1.386 -3.882 -0.225
142 HB2 CYS 17 2HB CYS 17 1.015 -2.600 2.474
143 HB3 CYS 17 1HB CYS 17 1.845 -1.789 1.148
144 HA PRO 18 HA PRO 18 5.501 -5.203 0.603
145 HB2 PRO 18 2HB PRO 18 6.801 -3.555 -1.126
146 HB3 PRO 18 1HB PRO 18 5.914 -4.997 -1.633
147 HG2 PRO 18 2HG PRO 18 5.055 -2.130 -1.683
148 HG3 PRO 18 1HG PRO 18 4.816 -3.392 -2.905
149 HD2 PRO 18 2HD PRO 18 2.856 -2.653 -1.203
150 HD3 PRO 18 1HD PRO 18 3.022 -4.316 -1.780
151 H GLY 19 H GLY 19 7.191 -4.662 1.853
152 HA2 GLY 19 2HA GLY 19 8.423 -3.508 3.399
153 HA3 GLY 19 1HA GLY 19 8.268 -2.145 2.304
154 H GLU 20 H GLU 20 7.772 -0.453 3.506
155 HA GLU 20 HA GLU 20 5.929 -0.737 5.738
156 HB2 GLU 20 2HB GLU 20 7.783 1.462 4.853
157 HB3 GLU 20 1HB GLU 20 6.596 1.698 6.126
158 HG2 GLU 20 2HG GLU 20 8.709 -0.441 6.178
159 HG3 GLU 20 1HG GLU 20 8.885 1.148 6.925
160 H CYS 21 H CYS 21 5.128 -0.724 2.788
161 HA CYS 21 HA CYS 21 3.677 1.720 2.432
162 HB2 CYS 21 2HB CYS 21 3.481 -0.951 1.033
163 HB3 CYS 21 1HB CYS 21 2.550 0.468 0.566
164 H ILE 22 H ILE 22 1.533 2.158 2.797
165 HA ILE 22 HA ILE 22 0.112 0.146 4.423
166 HB ILE 22 HB ILE 22 -1.197 2.033 5.367
167 HG12 ILE 22 2HG1 ILE 22 0.882 3.768 4.014
168 HG13 ILE 22 1HG1 ILE 22 -0.806 3.650 3.532
169 HG21 ILE 22 1HG2 ILE 22 1.786 2.077 5.767
170 HG22 ILE 22 2HG2 ILE 22 0.598 1.119 6.652
171 HG23 ILE 22 3HG2 ILE 22 0.628 2.874 6.833
172 HD11 ILE 22 3HD1 ILE 22 0.400 4.970 5.911
173 HD12 ILE 22 1HD1 ILE 22 -1.259 4.375 5.994
174 HD13 ILE 22 2HD1 ILE 22 -0.811 5.571 4.777
175 H CYS 23 H CYS 23 -2.137 -0.052 4.172
176 HA CYS 23 HA CYS 23 -2.976 0.230 1.414
177 HB2 CYS 23 2HB CYS 23 -3.458 -1.777 2.928
178 HB3 CYS 23 1HB CYS 23 -4.648 -0.758 3.730
179 H LYS 24 H LYS 24 -3.278 2.392 0.994
180 HA LYS 24 HA LYS 24 -4.672 4.070 2.855
181 HB2 LYS 24 2HB LYS 24 -4.406 5.831 1.240
182 HB3 LYS 24 1HB LYS 24 -2.912 4.921 1.342
183 HG2 LYS 24 2HG LYS 24 -3.466 3.764 -0.724
184 HG3 LYS 24 1HG LYS 24 -4.979 4.666 -0.828
185 HD2 LYS 24 2HD LYS 24 -3.390 5.729 -2.266
186 HD3 LYS 24 1HD LYS 24 -3.633 6.773 -0.868
187 HE2 LYS 24 2HE LYS 24 -1.353 4.817 -1.092
188 HE3 LYS 24 1HE LYS 24 -1.245 6.484 -1.650
189 HZ1 LYS 24 3HZ LYS 24 -1.879 5.686 1.141
190 HZ2 LYS 24 1HZ LYS 24 -1.612 7.258 0.577
191 HZ3 LYS 24 2HZ LYS 24 -0.338 6.139 0.605
192 H GLY 25 H GLY 25 -6.666 5.210 2.430
193 HA2 GLY 25 2HA GLY 25 -8.869 3.647 2.041
194 HA3 GLY 25 1HA GLY 25 -8.876 5.385 1.824
195 H ASN 26 H ASN 26 -7.011 5.179 -0.456
196 HA ASN 26 HA ASN 26 -8.866 5.064 -2.568
197 HB2 ASN 26 2HB ASN 26 -7.072 6.447 -3.013
198 HB3 ASN 26 1HB ASN 26 -5.904 5.343 -2.301
199 HD21 ASN 26 1HD2 ASN 26 -4.564 4.545 -3.681
200 HD22 ASN 26 2HD2 ASN 26 -4.866 4.168 -5.335
201 H GLY 27 H GLY 27 -7.188 2.606 -0.926
202 HA2 GLY 27 2HA GLY 27 -7.558 0.311 -1.158
203 HA3 GLY 27 1HA GLY 27 -8.246 0.602 -2.751
204 H TYR 28 H TYR 28 -5.297 2.148 -2.095
205 HA TYR 28 HA TYR 28 -3.794 0.050 -3.484
206 HB2 TYR 28 2HB TYR 28 -3.836 2.990 -4.097
207 HB3 TYR 28 1HB TYR 28 -2.422 2.013 -4.470
208 HD1 TYR 28 1HD TYR 28 -6.043 1.170 -4.786
209 HD2 TYR 28 2HD TYR 28 -2.361 1.884 -6.795
210 HE1 TYR 28 1HE TYR 28 -7.061 0.466 -6.897
211 HE2 TYR 28 2HE TYR 28 -3.379 1.170 -8.903
212 HH TYR 28 HH TYR 28 -5.387 0.797 -9.952
213 H CYS 29 H CYS 29 -1.557 0.128 -3.182
214 HA CYS 29 HA CYS 29 -0.857 0.569 -0.426
215 HB2 CYS 29 2HB CYS 29 0.631 -0.541 -2.805
216 HB3 CYS 29 1HB CYS 29 1.371 -0.389 -1.208
217 H GLY 30 H GLY 30 -0.055 2.399 0.372
218 HA2 GLY 30 2HA GLY 30 2.022 3.832 -0.972
219 HA3 GLY 30 1HA GLY 30 0.485 4.684 -1.065
Start of MODEL 8
1 H1 PCA 1 H PCA 1 1.864 5.170 6.995
2 HA PCA 1 HA PCA 1 2.612 7.492 7.366
3 HB2 PCA 1 1HB PCA 1 3.513 7.216 10.079
4 HB3 PCA 1 2HB PCA 1 2.062 8.076 9.526
5 HG2 PCA 1 1HG PCA 1 2.205 5.591 10.960
6 HG3 PCA 1 2HG PCA 1 0.751 6.433 10.368
7 H ARG 2 H ARG 2 3.852 4.485 7.489
8 HA ARG 2 HA ARG 2 6.606 5.069 8.113
9 HB2 ARG 2 2HB ARG 2 5.369 2.582 6.933
10 HB3 ARG 2 1HB ARG 2 6.986 2.718 7.608
11 HG2 ARG 2 2HG ARG 2 6.047 3.160 9.809
12 HG3 ARG 2 1HG ARG 2 4.417 3.071 9.141
13 HD2 ARG 2 2HD ARG 2 6.441 0.833 9.213
14 HD3 ARG 2 1HD ARG 2 5.025 0.986 10.249
15 HE ARG 2 HE ARG 2 5.109 -0.100 7.640
16 HH11 ARG 2 1HH1 ARG 2 3.050 1.847 9.704
17 HH12 ARG 2 2HH1 ARG 2 1.591 1.416 8.881
18 HH21 ARG 2 1HH2 ARG 2 3.172 -0.696 6.565
19 HH22 ARG 2 2HH2 ARG 2 1.659 -0.050 7.105
20 H ALA 3 H ALA 3 8.166 3.894 6.363
21 HA ALA 3 HA ALA 3 8.119 5.658 4.116
22 HB1 ALA 3 1HB ALA 3 9.878 3.280 4.691
23 HB2 ALA 3 2HB ALA 3 10.229 4.969 5.065
24 HB3 ALA 3 3HB ALA 3 10.127 4.439 3.384
25 H CYS 4 H CYS 4 7.505 5.304 2.038
26 HA CYS 4 HA CYS 4 6.826 2.609 1.192
27 HB2 CYS 4 2HB CYS 4 4.736 3.305 2.161
28 HB3 CYS 4 1HB CYS 4 4.805 4.853 1.324
29 HA PRO 5 HA PRO 5 8.604 4.386 -2.493
30 HB2 PRO 5 2HB PRO 5 8.455 2.147 -4.007
31 HB3 PRO 5 1HB PRO 5 9.673 2.352 -2.743
32 HG2 PRO 5 2HG PRO 5 7.092 0.839 -2.659
33 HG3 PRO 5 1HG PRO 5 8.682 0.376 -2.025
34 HD2 PRO 5 2HD PRO 5 6.696 1.383 -0.461
35 HD3 PRO 5 1HD PRO 5 8.419 1.622 -0.111
36 H ARG 6 H ARG 6 7.743 5.253 -4.367
37 HA ARG 6 HA ARG 6 4.927 5.407 -4.560
38 HB2 ARG 6 2HB ARG 6 6.571 7.172 -5.299
39 HB3 ARG 6 1HB ARG 6 6.914 6.170 -6.703
40 HG2 ARG 6 2HG ARG 6 5.324 7.963 -7.205
41 HG3 ARG 6 1HG ARG 6 4.619 6.363 -7.445
42 HD2 ARG 6 2HD ARG 6 3.074 7.913 -6.311
43 HD3 ARG 6 1HD ARG 6 3.469 6.510 -5.320
44 HE ARG 6 HE ARG 6 4.377 7.911 -3.775
45 HH11 ARG 6 1HH1 ARG 6 4.146 9.658 -6.805
46 HH12 ARG 6 2HH1 ARG 6 4.714 11.152 -6.138
47 HH21 ARG 6 1HH2 ARG 6 5.128 9.885 -2.890
48 HH22 ARG 6 2HH2 ARG 6 5.275 11.282 -3.905
49 H ILE 7 H ILE 7 3.838 3.591 -4.999
50 HA ILE 7 HA ILE 7 4.171 2.393 -7.623
51 HB ILE 7 HB ILE 7 5.606 1.071 -5.993
52 HG12 ILE 7 2HG1 ILE 7 3.303 -0.405 -7.289
53 HG13 ILE 7 1HG1 ILE 7 4.761 0.130 -8.116
54 HG21 ILE 7 1HG2 ILE 7 4.221 1.182 -4.025
55 HG22 ILE 7 2HG2 ILE 7 4.391 -0.505 -4.506
56 HG23 ILE 7 3HG2 ILE 7 2.897 0.368 -4.863
57 HD11 ILE 7 3HD1 ILE 7 6.098 -1.430 -6.993
58 HD12 ILE 7 1HD1 ILE 7 4.633 -2.308 -7.432
59 HD13 ILE 7 2HD1 ILE 7 4.859 -1.742 -5.777
60 H LEU 8 H LEU 8 2.291 1.161 -8.254
61 HA LEU 8 HA LEU 8 -0.058 1.811 -6.617
62 HB2 LEU 8 2HB LEU 8 0.333 1.793 -9.575
63 HB3 LEU 8 1HB LEU 8 -1.254 1.431 -8.924
64 HG LEU 8 HG LEU 8 -1.050 3.642 -7.649
65 HD11 LEU 8 1HD1 LEU 8 0.428 5.304 -8.553
66 HD12 LEU 8 2HD1 LEU 8 1.056 4.159 -9.737
67 HD13 LEU 8 3HD1 LEU 8 1.371 3.913 -8.019
68 HD21 LEU 8 3HD2 LEU 8 -1.726 4.933 -9.683
69 HD22 LEU 8 1HD2 LEU 8 -2.597 3.420 -9.430
70 HD23 LEU 8 2HD2 LEU 8 -1.316 3.509 -10.642
71 H LYS 9 H LYS 9 -0.730 0.105 -5.574
72 HA LYS 9 HA LYS 9 -1.164 -2.395 -7.015
73 HB2 LYS 9 2HB LYS 9 1.096 -2.503 -5.905
74 HB3 LYS 9 1HB LYS 9 0.300 -2.268 -4.359
75 HG2 LYS 9 2HG LYS 9 -0.436 -4.569 -6.128
76 HG3 LYS 9 1HG LYS 9 0.975 -4.645 -5.074
77 HD2 LYS 9 2HD LYS 9 -0.448 -4.191 -3.138
78 HD3 LYS 9 1HD LYS 9 -1.859 -4.099 -4.192
79 HE2 LYS 9 2HE LYS 9 -2.007 -6.261 -3.420
80 HE3 LYS 9 1HE LYS 9 -1.122 -6.486 -4.927
81 HZ1 LYS 9 3HZ LYS 9 -0.361 -7.461 -2.550
82 HZ2 LYS 9 1HZ LYS 9 0.528 -6.020 -2.593
83 HZ3 LYS 9 2HZ LYS 9 0.705 -7.155 -3.835
84 H LYS 10 H LYS 10 -3.187 -3.111 -6.553
85 HA LYS 10 HA LYS 10 -4.815 -1.723 -4.679
86 HB2 LYS 10 2HB LYS 10 -5.234 -3.610 -6.770
87 HB3 LYS 10 1HB LYS 10 -5.985 -4.251 -5.315
88 HG2 LYS 10 2HG LYS 10 -6.741 -1.593 -5.328
89 HG3 LYS 10 1HG LYS 10 -6.821 -2.069 -7.025
90 HD2 LYS 10 2HD LYS 10 -8.833 -2.914 -6.543
91 HD3 LYS 10 1HD LYS 10 -7.966 -4.205 -5.707
92 HE2 LYS 10 2HE LYS 10 -9.011 -1.650 -4.484
93 HE3 LYS 10 1HE LYS 10 -9.673 -3.267 -4.257
94 HZ1 LYS 10 3HZ LYS 10 -7.279 -3.764 -3.405
95 HZ2 LYS 10 1HZ LYS 10 -8.399 -3.016 -2.383
96 HZ3 LYS 10 2HZ LYS 10 -7.212 -2.093 -3.157
97 H CYS 11 H CYS 11 -4.613 -1.908 -2.582
98 HA CYS 11 HA CYS 11 -3.447 -4.278 -1.409
99 HB2 CYS 11 2HB CYS 11 -3.501 -2.973 0.681
100 HB3 CYS 11 1HB CYS 11 -2.709 -2.108 -0.633
101 H ARG 12 H ARG 12 -4.303 -5.485 0.241
102 HA ARG 12 HA ARG 12 -7.221 -5.357 0.624
103 HB2 ARG 12 2HB ARG 12 -7.370 -7.764 0.561
104 HB3 ARG 12 1HB ARG 12 -6.570 -7.232 -0.910
105 HG2 ARG 12 2HG ARG 12 -4.412 -7.676 0.592
106 HG3 ARG 12 1HG ARG 12 -5.526 -8.815 1.355
107 HD2 ARG 12 2HD ARG 12 -4.409 -10.005 -0.368
108 HD3 ARG 12 1HD ARG 12 -6.042 -9.681 -0.953
109 HE ARG 12 HE ARG 12 -4.187 -7.644 -1.734
110 HH11 ARG 12 1HH1 ARG 12 -5.298 -10.871 -2.531
111 HH12 ARG 12 2HH1 ARG 12 -4.839 -10.757 -4.195
112 HH21 ARG 12 1HH2 ARG 12 -3.593 -7.479 -3.908
113 HH22 ARG 12 2HH2 ARG 12 -3.860 -8.809 -4.988
114 H ARG 13 H ARG 13 -4.422 -4.796 1.876
115 HA ARG 13 HA ARG 13 -4.960 -4.469 4.483
116 HB2 ARG 13 2HB ARG 13 -3.784 -6.371 5.618
117 HB3 ARG 13 1HB ARG 13 -5.340 -6.785 4.927
118 HG2 ARG 13 2HG ARG 13 -4.009 -7.636 2.911
119 HG3 ARG 13 1HG ARG 13 -2.603 -7.538 3.973
120 HD2 ARG 13 2HD ARG 13 -3.604 -9.784 3.970
121 HD3 ARG 13 1HD ARG 13 -3.667 -9.029 5.564
122 HE ARG 13 HE ARG 13 -6.055 -8.458 4.204
123 HH11 ARG 13 1HH1 ARG 13 -4.391 -11.185 5.639
124 HH12 ARG 13 2HH1 ARG 13 -5.848 -12.045 6.013
125 HH21 ARG 13 1HH2 ARG 13 -7.983 -9.584 4.695
126 HH22 ARG 13 2HH2 ARG 13 -7.900 -11.130 5.473
127 H ASP 14 H ASP 14 -3.035 -3.965 5.731
128 HA ASP 14 HA ASP 14 -1.090 -2.671 4.193
129 HB2 ASP 14 2HB ASP 14 -0.885 -3.522 7.087
130 HB3 ASP 14 1HB ASP 14 0.125 -2.318 6.293
131 H SER 15 H SER 15 -1.100 -5.869 5.624
132 HA SER 15 HA SER 15 1.623 -6.494 5.261
133 HB2 SER 15 2HB SER 15 -0.613 -8.509 5.120
134 HB3 SER 15 1HB SER 15 1.009 -8.710 5.787
135 HG SER 15 HG SER 15 0.405 -7.209 7.435
136 H ASP 16 H ASP 16 -1.020 -6.297 3.072
137 HA ASP 16 HA ASP 16 0.162 -7.953 1.016
138 HB2 ASP 16 2HB ASP 16 -2.250 -7.911 1.230
139 HB3 ASP 16 1HB ASP 16 -2.279 -6.161 1.081
140 H CYS 17 H CYS 17 0.523 -4.833 2.151
141 HA CYS 17 HA CYS 17 1.290 -3.669 -0.393
142 HB2 CYS 17 2HB CYS 17 1.004 -2.597 2.402
143 HB3 CYS 17 1HB CYS 17 1.759 -1.649 1.123
144 HA PRO 18 HA PRO 18 5.541 -4.758 -0.007
145 HB2 PRO 18 2HB PRO 18 6.595 -2.858 -1.650
146 HB3 PRO 18 1HB PRO 18 5.761 -4.300 -2.238
147 HG2 PRO 18 2HG PRO 18 4.724 -1.511 -1.915
148 HG3 PRO 18 1HG PRO 18 4.466 -2.654 -3.247
149 HD2 PRO 18 2HD PRO 18 2.609 -2.232 -1.336
150 HD3 PRO 18 1HD PRO 18 2.833 -3.816 -2.102
151 H GLY 19 H GLY 19 7.337 -4.180 1.133
152 HA2 GLY 19 2HA GLY 19 8.615 -3.049 2.666
153 HA3 GLY 19 1HA GLY 19 8.128 -1.586 1.821
154 H GLU 20 H GLU 20 7.358 -0.156 3.218
155 HA GLU 20 HA GLU 20 5.722 -1.141 5.449
156 HB2 GLU 20 2HB GLU 20 7.223 1.459 5.159
157 HB3 GLU 20 1HB GLU 20 6.224 1.019 6.533
158 HG2 GLU 20 2HG GLU 20 7.754 -0.912 6.921
159 HG3 GLU 20 1HG GLU 20 8.805 -0.244 5.667
160 H CYS 21 H CYS 21 4.932 -0.491 2.586
161 HA CYS 21 HA CYS 21 3.430 1.905 2.605
162 HB2 CYS 21 2HB CYS 21 3.143 -0.605 0.952
163 HB3 CYS 21 1HB CYS 21 2.206 0.858 0.671
164 H ILE 22 H ILE 22 1.224 2.266 2.916
165 HA ILE 22 HA ILE 22 -0.102 0.188 4.536
166 HB ILE 22 HB ILE 22 -1.442 1.998 5.553
167 HG12 ILE 22 2HG1 ILE 22 0.470 3.858 4.119
168 HG13 ILE 22 1HG1 ILE 22 -1.228 3.637 3.709
169 HG21 ILE 22 1HG2 ILE 22 0.281 2.824 7.031
170 HG22 ILE 22 2HG2 ILE 22 1.526 2.411 5.854
171 HG23 ILE 22 3HG2 ILE 22 0.589 1.134 6.632
172 HD11 ILE 22 3HD1 ILE 22 -0.198 4.694 6.330
173 HD12 ILE 22 1HD1 ILE 22 -1.889 4.538 5.856
174 HD13 ILE 22 2HD1 ILE 22 -0.836 5.670 5.007
175 H CYS 23 H CYS 23 -2.366 -0.062 4.328
176 HA CYS 23 HA CYS 23 -3.246 0.179 1.581
177 HB2 CYS 23 2HB CYS 23 -3.697 -1.804 3.134
178 HB3 CYS 23 1HB CYS 23 -4.877 -0.776 3.941
179 H LYS 24 H LYS 24 -3.573 2.338 1.129
180 HA LYS 24 HA LYS 24 -5.022 3.981 2.994
181 HB2 LYS 24 2HB LYS 24 -4.701 5.787 1.411
182 HB3 LYS 24 1HB LYS 24 -3.201 4.925 1.679
183 HG2 LYS 24 2HG LYS 24 -4.064 3.631 -0.499
184 HG3 LYS 24 1HG LYS 24 -4.823 5.204 -0.766
185 HD2 LYS 24 2HD LYS 24 -1.891 4.626 -0.346
186 HD3 LYS 24 1HD LYS 24 -2.665 5.233 -1.810
187 HE2 LYS 24 2HE LYS 24 -3.055 7.341 -0.869
188 HE3 LYS 24 1HE LYS 24 -2.808 6.751 0.775
189 HZ1 LYS 24 3HZ LYS 24 -0.952 8.111 -0.244
190 HZ2 LYS 24 1HZ LYS 24 -0.624 6.768 -1.219
191 HZ3 LYS 24 2HZ LYS 24 -0.504 6.636 0.467
192 H GLY 25 H GLY 25 -6.951 5.181 2.486
193 HA2 GLY 25 2HA GLY 25 -9.164 3.669 1.969
194 HA3 GLY 25 1HA GLY 25 -9.126 5.412 1.783
195 H ASN 26 H ASN 26 -7.138 5.173 -0.402
196 HA ASN 26 HA ASN 26 -8.878 5.171 -2.610
197 HB2 ASN 26 2HB ASN 26 -6.943 6.479 -2.818
198 HB3 ASN 26 1HB ASN 26 -5.894 5.190 -2.251
199 HD21 ASN 26 1HD2 ASN 26 -4.596 4.554 -3.759
200 HD22 ASN 26 2HD2 ASN 26 -4.967 4.341 -5.429
201 H GLY 27 H GLY 27 -7.476 2.608 -0.896
202 HA2 GLY 27 2HA GLY 27 -7.926 0.341 -1.193
203 HA3 GLY 27 1HA GLY 27 -8.496 0.685 -2.821
204 H TYR 28 H TYR 28 -5.615 2.212 -2.239
205 HA TYR 28 HA TYR 28 -4.081 0.008 -3.430
206 HB2 TYR 28 2HB TYR 28 -4.066 2.932 -4.111
207 HB3 TYR 28 1HB TYR 28 -2.645 1.944 -4.402
208 HD1 TYR 28 1HD TYR 28 -6.297 1.270 -4.911
209 HD2 TYR 28 2HD TYR 28 -2.438 1.623 -6.671
210 HE1 TYR 28 1HE TYR 28 -7.222 0.566 -7.074
211 HE2 TYR 28 2HE TYR 28 -3.354 0.914 -8.831
212 HH TYR 28 HH TYR 28 -6.415 0.999 -9.653
213 H CYS 29 H CYS 29 -1.739 0.324 -3.154
214 HA CYS 29 HA CYS 29 -1.191 0.690 -0.348
215 HB2 CYS 29 2HB CYS 29 0.479 -0.232 -2.686
216 HB3 CYS 29 1HB CYS 29 1.117 -0.092 -1.048
217 H GLY 30 H GLY 30 -0.332 2.427 0.572
218 HA2 GLY 30 2HA GLY 30 1.602 4.086 -0.643
219 HA3 GLY 30 1HA GLY 30 0.018 4.841 -0.777
Start of MODEL 9
1 H1 PCA 1 H PCA 1 2.746 7.877 5.691
2 HA PCA 1 HA PCA 1 3.852 9.146 7.632
3 HB2 PCA 1 1HB PCA 1 3.327 6.926 9.457
4 HB3 PCA 1 2HB PCA 1 2.863 8.628 9.635
5 HG2 PCA 1 1HG PCA 1 1.206 6.393 8.886
6 HG3 PCA 1 2HG PCA 1 0.732 8.096 9.101
7 H ARG 2 H ARG 2 3.625 5.645 7.078
8 HA ARG 2 HA ARG 2 6.407 5.198 7.657
9 HB2 ARG 2 2HB ARG 2 4.354 3.373 6.396
10 HB3 ARG 2 1HB ARG 2 5.967 2.889 6.896
11 HG2 ARG 2 2HG ARG 2 5.298 3.658 9.228
12 HG3 ARG 2 1HG ARG 2 3.644 3.692 8.611
13 HD2 ARG 2 2HD ARG 2 5.499 1.315 8.690
14 HD3 ARG 2 1HD ARG 2 4.071 1.571 9.691
15 HE ARG 2 HE ARG 2 3.224 1.667 7.051
16 HH11 ARG 2 1HH1 ARG 2 4.781 -0.655 9.140
17 HH12 ARG 2 2HH1 ARG 2 4.055 -2.031 8.381
18 HH21 ARG 2 1HH2 ARG 2 2.262 -0.142 6.019
19 HH22 ARG 2 2HH2 ARG 2 2.614 -1.738 6.594
20 H ALA 3 H ALA 3 7.962 4.401 6.113
21 HA ALA 3 HA ALA 3 7.985 5.915 3.713
22 HB1 ALA 3 1HB ALA 3 10.053 5.374 4.852
23 HB2 ALA 3 2HB ALA 3 10.070 4.729 3.210
24 HB3 ALA 3 3HB ALA 3 9.778 3.653 4.578
25 H CYS 4 H CYS 4 7.450 5.382 1.682
26 HA CYS 4 HA CYS 4 7.104 2.659 0.843
27 HB2 CYS 4 2HB CYS 4 4.990 2.866 1.959
28 HB3 CYS 4 1HB CYS 4 4.697 4.445 1.237
29 HA PRO 5 HA PRO 5 8.250 4.726 -2.929
30 HB2 PRO 5 2HB PRO 5 7.823 2.605 -4.597
31 HB3 PRO 5 1HB PRO 5 9.261 2.766 -3.582
32 HG2 PRO 5 2HG PRO 5 6.780 1.160 -3.114
33 HG3 PRO 5 1HG PRO 5 8.473 0.714 -2.829
34 HD2 PRO 5 2HD PRO 5 6.841 1.501 -0.831
35 HD3 PRO 5 1HD PRO 5 8.576 1.877 -0.836
36 H ARG 6 H ARG 6 7.181 5.552 -4.797
37 HA ARG 6 HA ARG 6 4.340 5.716 -4.478
38 HB2 ARG 6 2HB ARG 6 5.941 7.587 -5.231
39 HB3 ARG 6 1HB ARG 6 5.840 6.844 -6.821
40 HG2 ARG 6 2HG ARG 6 4.270 8.760 -6.411
41 HG3 ARG 6 1HG ARG 6 3.521 7.267 -6.984
42 HD2 ARG 6 2HD ARG 6 2.277 8.402 -5.135
43 HD3 ARG 6 1HD ARG 6 2.730 6.735 -4.792
44 HE ARG 6 HE ARG 6 4.132 9.093 -3.697
45 HH11 ARG 6 1HH1 ARG 6 2.948 5.809 -3.394
46 HH12 ARG 6 2HH1 ARG 6 3.615 5.568 -1.815
47 HH21 ARG 6 1HH2 ARG 6 5.002 8.782 -1.586
48 HH22 ARG 6 2HH2 ARG 6 4.781 7.260 -0.785
49 H ILE 7 H ILE 7 4.407 3.276 -4.765
50 HA ILE 7 HA ILE 7 4.144 2.473 -7.568
51 HB ILE 7 HB ILE 7 5.483 1.072 -5.959
52 HG12 ILE 7 2HG1 ILE 7 3.061 -0.292 -7.162
53 HG13 ILE 7 1HG1 ILE 7 4.529 0.131 -8.037
54 HG21 ILE 7 1HG2 ILE 7 2.772 0.530 -4.758
55 HG22 ILE 7 2HG2 ILE 7 4.125 1.350 -3.978
56 HG23 ILE 7 3HG2 ILE 7 4.247 -0.363 -4.382
57 HD11 ILE 7 3HD1 ILE 7 5.642 -1.651 -7.270
58 HD12 ILE 7 1HD1 ILE 7 4.032 -2.283 -6.925
59 HD13 ILE 7 2HD1 ILE 7 4.965 -1.504 -5.648
60 H LEU 8 H LEU 8 2.201 1.268 -8.205
61 HA LEU 8 HA LEU 8 -0.146 1.993 -6.592
62 HB2 LEU 8 2HB LEU 8 0.238 2.141 -9.570
63 HB3 LEU 8 1HB LEU 8 -1.358 2.080 -8.845
64 HG LEU 8 HG LEU 8 0.618 4.166 -8.010
65 HD11 LEU 8 1HD1 LEU 8 -0.016 5.620 -9.720
66 HD12 LEU 8 2HD1 LEU 8 -1.407 4.633 -10.168
67 HD13 LEU 8 3HD1 LEU 8 0.225 4.084 -10.552
68 HD21 LEU 8 3HD2 LEU 8 -1.082 4.469 -6.582
69 HD22 LEU 8 1HD2 LEU 8 -2.229 3.600 -7.602
70 HD23 LEU 8 2HD2 LEU 8 -1.840 5.284 -7.950
71 H LYS 9 H LYS 9 -0.739 0.164 -5.682
72 HA LYS 9 HA LYS 9 -1.513 -2.056 -7.395
73 HB2 LYS 9 2HB LYS 9 0.766 -2.634 -6.757
74 HB3 LYS 9 1HB LYS 9 0.398 -2.331 -5.065
75 HG2 LYS 9 2HG LYS 9 -1.379 -4.298 -6.261
76 HG3 LYS 9 1HG LYS 9 0.322 -4.766 -6.339
77 HD2 LYS 9 2HD LYS 9 0.550 -4.427 -3.948
78 HD3 LYS 9 1HD LYS 9 -1.118 -3.859 -3.852
79 HE2 LYS 9 2HE LYS 9 -1.965 -6.011 -4.426
80 HE3 LYS 9 1HE LYS 9 -0.351 -6.608 -4.820
81 HZ1 LYS 9 3HZ LYS 9 0.102 -6.004 -2.340
82 HZ2 LYS 9 1HZ LYS 9 -0.676 -7.455 -2.726
83 HZ3 LYS 9 2HZ LYS 9 -1.581 -6.132 -2.191
84 H LYS 10 H LYS 10 -3.434 -2.851 -6.758
85 HA LYS 10 HA LYS 10 -4.893 -1.635 -4.693
86 HB2 LYS 10 2HB LYS 10 -5.343 -4.091 -6.360
87 HB3 LYS 10 1HB LYS 10 -6.436 -3.697 -5.038
88 HG2 LYS 10 2HG LYS 10 -6.928 -1.555 -6.036
89 HG3 LYS 10 1HG LYS 10 -5.771 -1.861 -7.330
90 HD2 LYS 10 2HD LYS 10 -7.120 -3.746 -8.095
91 HD3 LYS 10 1HD LYS 10 -8.266 -3.464 -6.780
92 HE2 LYS 10 2HE LYS 10 -8.745 -1.242 -7.671
93 HE3 LYS 10 1HE LYS 10 -7.596 -1.516 -8.980
94 HZ1 LYS 10 3HZ LYS 10 -10.265 -2.085 -9.028
95 HZ2 LYS 10 1HZ LYS 10 -9.544 -3.598 -8.802
96 HZ3 LYS 10 2HZ LYS 10 -9.108 -2.644 -10.128
97 H CYS 11 H CYS 11 -4.989 -1.999 -2.591
98 HA CYS 11 HA CYS 11 -3.399 -4.222 -1.561
99 HB2 CYS 11 2HB CYS 11 -3.433 -2.923 0.565
100 HB3 CYS 11 1HB CYS 11 -2.690 -2.080 -0.788
101 H ARG 12 H ARG 12 -4.067 -5.671 -0.154
102 HA ARG 12 HA ARG 12 -6.959 -5.917 0.296
103 HB2 ARG 12 2HB ARG 12 -4.742 -7.943 0.701
104 HB3 ARG 12 1HB ARG 12 -6.470 -8.259 0.815
105 HG2 ARG 12 2HG ARG 12 -6.778 -7.959 -1.506
106 HG3 ARG 12 1HG ARG 12 -5.172 -7.256 -1.702
107 HD2 ARG 12 2HD ARG 12 -5.204 -9.536 -2.526
108 HD3 ARG 12 1HD ARG 12 -4.165 -9.409 -1.109
109 HE ARG 12 HE ARG 12 -5.510 -10.901 -0.058
110 HH11 ARG 12 1HH1 ARG 12 -7.333 -9.496 -2.693
111 HH12 ARG 12 2HH1 ARG 12 -8.723 -10.501 -2.446
112 HH21 ARG 12 1HH2 ARG 12 -7.342 -12.242 0.272
113 HH22 ARG 12 2HH2 ARG 12 -8.727 -12.069 -0.753
114 H ARG 13 H ARG 13 -4.030 -5.104 1.733
115 HA ARG 13 HA ARG 13 -4.945 -4.116 4.116
116 HB2 ARG 13 2HB ARG 13 -4.029 -5.792 5.751
117 HB3 ARG 13 1HB ARG 13 -5.505 -6.289 4.944
118 HG2 ARG 13 2HG ARG 13 -4.149 -7.670 3.405
119 HG3 ARG 13 1HG ARG 13 -2.710 -7.220 4.326
120 HD2 ARG 13 2HD ARG 13 -3.617 -9.414 4.995
121 HD3 ARG 13 1HD ARG 13 -3.618 -8.244 6.317
122 HE ARG 13 HE ARG 13 -6.106 -8.168 4.997
123 HH11 ARG 13 1HH1 ARG 13 -4.235 -10.237 7.112
124 HH12 ARG 13 2HH1 ARG 13 -5.624 -10.981 7.831
125 HH21 ARG 13 1HH2 ARG 13 -7.948 -9.144 5.944
126 HH22 ARG 13 2HH2 ARG 13 -7.743 -10.358 7.162
127 H ASP 14 H ASP 14 -3.056 -3.659 5.650
128 HA ASP 14 HA ASP 14 -0.943 -2.554 4.204
129 HB2 ASP 14 2HB ASP 14 -1.086 -3.266 7.139
130 HB3 ASP 14 1HB ASP 14 0.242 -2.364 6.417
131 H SER 15 H SER 15 -1.184 -5.649 5.859
132 HA SER 15 HA SER 15 1.503 -6.456 5.615
133 HB2 SER 15 2HB SER 15 -0.819 -8.369 5.542
134 HB3 SER 15 1HB SER 15 0.751 -8.565 6.327
135 HG SER 15 HG SER 15 0.130 -7.024 7.857
136 H ASP 16 H ASP 16 -1.114 -6.318 3.397
137 HA ASP 16 HA ASP 16 -0.010 -8.152 1.461
138 HB2 ASP 16 2HB ASP 16 -2.390 -8.036 1.603
139 HB3 ASP 16 1HB ASP 16 -2.382 -6.281 1.500
140 H CYS 17 H CYS 17 0.407 -4.922 2.335
141 HA CYS 17 HA CYS 17 1.310 -4.023 -0.278
142 HB2 CYS 17 2HB CYS 17 0.993 -2.670 2.398
143 HB3 CYS 17 1HB CYS 17 1.778 -1.876 1.038
144 HA PRO 18 HA PRO 18 5.519 -5.122 0.463
145 HB2 PRO 18 2HB PRO 18 6.747 -3.421 -1.255
146 HB3 PRO 18 1HB PRO 18 5.857 -4.854 -1.786
147 HG2 PRO 18 2HG PRO 18 4.978 -1.993 -1.724
148 HG3 PRO 18 1HG PRO 18 4.722 -3.216 -2.982
149 HD2 PRO 18 2HD PRO 18 2.807 -2.535 -1.187
150 HD3 PRO 18 1HD PRO 18 2.941 -4.165 -1.871
151 H GLY 19 H GLY 19 7.236 -4.525 1.687
152 HA2 GLY 19 2HA GLY 19 8.455 -3.331 3.220
153 HA3 GLY 19 1HA GLY 19 8.149 -1.937 2.192
154 H GLU 20 H GLU 20 7.526 -0.334 3.493
155 HA GLU 20 HA GLU 20 5.679 -0.950 5.673
156 HB2 GLU 20 2HB GLU 20 7.345 1.502 5.114
157 HB3 GLU 20 1HB GLU 20 6.188 1.383 6.430
158 HG2 GLU 20 2HG GLU 20 7.516 -0.667 7.171
159 HG3 GLU 20 1HG GLU 20 8.765 -0.093 6.065
160 H CYS 21 H CYS 21 5.001 -0.706 2.732
161 HA CYS 21 HA CYS 21 3.484 1.682 2.437
162 HB2 CYS 21 2HB CYS 21 3.336 -0.976 1.006
163 HB3 CYS 21 1HB CYS 21 2.356 0.419 0.565
164 H ILE 22 H ILE 22 1.340 2.071 2.808
165 HA ILE 22 HA ILE 22 -0.036 0.029 4.439
166 HB ILE 22 HB ILE 22 -1.307 1.865 5.470
167 HG12 ILE 22 2HG1 ILE 22 0.593 3.697 3.983
168 HG13 ILE 22 1HG1 ILE 22 -1.112 3.481 3.595
169 HG21 ILE 22 1HG2 ILE 22 0.434 2.655 6.924
170 HG22 ILE 22 2HG2 ILE 22 1.664 2.304 5.709
171 HG23 ILE 22 3HG2 ILE 22 0.781 0.984 6.477
172 HD11 ILE 22 3HD1 ILE 22 -1.811 4.584 5.514
173 HD12 ILE 22 1HD1 ILE 22 -0.416 5.519 4.976
174 HD13 ILE 22 2HD1 ILE 22 -0.253 4.385 6.315
175 H CYS 23 H CYS 23 -2.297 -0.172 4.214
176 HA CYS 23 HA CYS 23 -3.173 0.130 1.475
177 HB2 CYS 23 2HB CYS 23 -3.649 -1.873 2.985
178 HB3 CYS 23 1HB CYS 23 -4.798 -0.840 3.833
179 H LYS 24 H LYS 24 -3.481 2.308 1.052
180 HA LYS 24 HA LYS 24 -4.904 3.912 2.985
181 HB2 LYS 24 2HB LYS 24 -4.575 5.772 1.465
182 HB3 LYS 24 1HB LYS 24 -3.079 4.897 1.697
183 HG2 LYS 24 2HG LYS 24 -3.290 3.870 -0.463
184 HG3 LYS 24 1HG LYS 24 -4.878 4.602 -0.692
185 HD2 LYS 24 2HD LYS 24 -3.354 5.940 -1.916
186 HD3 LYS 24 1HD LYS 24 -3.745 6.850 -0.458
187 HE2 LYS 24 2HE LYS 24 -1.291 5.121 -0.730
188 HE3 LYS 24 1HE LYS 24 -1.312 6.833 -1.134
189 HZ1 LYS 24 3HZ LYS 24 -2.119 5.864 1.544
190 HZ2 LYS 24 1HZ LYS 24 -1.641 7.421 1.090
191 HZ3 LYS 24 2HZ LYS 24 -0.497 6.171 1.170
192 H GLY 25 H GLY 25 -6.846 5.118 2.520
193 HA2 GLY 25 2HA GLY 25 -9.052 3.628 1.948
194 HA3 GLY 25 1HA GLY 25 -9.018 5.374 1.819
195 H ASN 26 H ASN 26 -7.033 5.194 -0.387
196 HA ASN 26 HA ASN 26 -8.791 5.269 -2.582
197 HB2 ASN 26 2HB ASN 26 -6.886 6.569 -2.836
198 HB3 ASN 26 1HB ASN 26 -5.821 5.329 -2.202
199 HD21 ASN 26 1HD2 ASN 26 -4.469 4.670 -3.643
200 HD22 ASN 26 2HD2 ASN 26 -4.777 4.404 -5.318
201 H GLY 27 H GLY 27 -7.301 2.652 -0.988
202 HA2 GLY 27 2HA GLY 27 -7.783 0.392 -1.349
203 HA3 GLY 27 1HA GLY 27 -8.371 0.793 -2.958
204 H TYR 28 H TYR 28 -5.442 2.242 -2.205
205 HA TYR 28 HA TYR 28 -3.931 0.122 -3.556
206 HB2 TYR 28 2HB TYR 28 -3.931 3.071 -4.102
207 HB3 TYR 28 1HB TYR 28 -2.481 2.125 -4.401
208 HD1 TYR 28 2HD TYR 28 -6.081 1.321 -4.984
209 HD2 TYR 28 1HD TYR 28 -2.238 1.978 -6.703
210 HE1 TYR 28 2HE TYR 28 -6.951 0.641 -7.177
211 HE2 TYR 28 1HE TYR 28 -3.109 1.298 -8.898
212 HH TYR 28 HH TYR 28 -5.291 1.179 -10.069
213 H CYS 29 H CYS 29 -1.681 0.179 -3.188
214 HA CYS 29 HA CYS 29 -1.061 0.503 -0.401
215 HB2 CYS 29 2HB CYS 29 0.497 -0.474 -2.794
216 HB3 CYS 29 1HB CYS 29 1.217 -0.352 -1.187
217 H GLY 30 H GLY 30 -0.256 2.292 0.505
218 HA2 GLY 30 2HA GLY 30 1.783 3.830 -0.802
219 HA3 GLY 30 1HA GLY 30 0.239 4.671 -0.755
Start of MODEL 10
1 H1 PCA 1 H PCA 1 7.677 7.784 10.752
2 HA PCA 1 HA PCA 1 5.625 7.991 9.241
3 HB2 PCA 1 1HB PCA 1 7.238 8.977 7.021
4 HB3 PCA 1 2HB PCA 1 5.838 9.750 7.790
5 HG2 PCA 1 1HG PCA 1 8.626 10.410 8.083
6 HG3 PCA 1 2HG PCA 1 7.219 11.205 8.831
7 H ARG 2 H ARG 2 5.190 6.210 8.005
8 HA ARG 2 HA ARG 2 7.167 4.198 7.738
9 HB2 ARG 2 2HB ARG 2 4.276 4.458 7.180
10 HB3 ARG 2 1HB ARG 2 5.138 3.253 6.232
11 HG2 ARG 2 2HG ARG 2 4.150 2.305 8.260
12 HG3 ARG 2 1HG ARG 2 5.907 2.164 8.241
13 HD2 ARG 2 2HD ARG 2 5.970 4.266 9.633
14 HD3 ARG 2 1HD ARG 2 4.225 4.100 9.815
15 HE ARG 2 HE ARG 2 4.611 2.519 11.401
16 HH11 ARG 2 1HH1 ARG 2 7.469 2.719 9.377
17 HH12 ARG 2 2HH1 ARG 2 8.353 1.534 10.280
18 HH21 ARG 2 1HH2 ARG 2 5.800 0.973 12.621
19 HH22 ARG 2 2HH2 ARG 2 7.411 0.560 12.136
20 H ALA 3 H ALA 3 8.412 3.645 6.073
21 HA ALA 3 HA ALA 3 8.545 5.432 3.816
22 HB1 ALA 3 1HB ALA 3 10.455 4.076 3.112
23 HB2 ALA 3 2HB ALA 3 10.126 2.941 4.423
24 HB3 ALA 3 3HB ALA 3 10.601 4.599 4.790
25 H CYS 4 H CYS 4 7.781 5.126 1.834
26 HA CYS 4 HA CYS 4 7.153 2.522 0.808
27 HB2 CYS 4 2HB CYS 4 5.157 2.833 2.146
28 HB3 CYS 4 1HB CYS 4 4.910 4.443 1.476
29 HA PRO 5 HA PRO 5 8.078 4.932 -2.823
30 HB2 PRO 5 2HB PRO 5 7.853 2.933 -4.624
31 HB3 PRO 5 1HB PRO 5 9.233 3.054 -3.524
32 HG2 PRO 5 2HG PRO 5 6.796 1.329 -3.323
33 HG3 PRO 5 1HG PRO 5 8.490 0.916 -2.997
34 HD2 PRO 5 2HD PRO 5 6.690 1.515 -1.037
35 HD3 PRO 5 1HD PRO 5 8.433 1.820 -0.888
36 H ARG 6 H ARG 6 6.968 5.582 -4.803
37 HA ARG 6 HA ARG 6 4.116 5.666 -4.421
38 HB2 ARG 6 2HB ARG 6 5.920 6.904 -6.499
39 HB3 ARG 6 1HB ARG 6 4.171 7.113 -6.490
40 HG2 ARG 6 2HG ARG 6 5.987 7.866 -4.210
41 HG3 ARG 6 1HG ARG 6 5.400 8.986 -5.442
42 HD2 ARG 6 2HD ARG 6 3.246 8.948 -4.649
43 HD3 ARG 6 1HD ARG 6 3.415 7.334 -3.961
44 HE ARG 6 HE ARG 6 4.020 9.849 -2.687
45 HH11 ARG 6 1HH1 ARG 6 4.480 6.379 -2.640
46 HH12 ARG 6 2HH1 ARG 6 5.075 6.340 -1.011
47 HH21 ARG 6 1HH2 ARG 6 4.780 9.803 -0.511
48 HH22 ARG 6 2HH2 ARG 6 5.221 8.288 0.206
49 H ILE 7 H ILE 7 4.286 3.215 -4.649
50 HA ILE 7 HA ILE 7 4.098 2.330 -7.429
51 HB ILE 7 HB ILE 7 5.419 1.010 -5.732
52 HG12 ILE 7 2HG1 ILE 7 3.097 -0.445 -7.020
53 HG13 ILE 7 1HG1 ILE 7 4.589 0.008 -7.836
54 HG21 ILE 7 1HG2 ILE 7 4.151 -0.445 -4.196
55 HG22 ILE 7 2HG2 ILE 7 2.674 0.408 -4.646
56 HG23 ILE 7 3HG2 ILE 7 3.972 1.268 -3.815
57 HD11 ILE 7 3HD1 ILE 7 5.120 -1.515 -5.443
58 HD12 ILE 7 1HD1 ILE 7 5.624 -1.809 -7.107
59 HD13 ILE 7 2HD1 ILE 7 4.052 -2.381 -6.548
60 H LEU 8 H LEU 8 2.226 1.116 -8.134
61 HA LEU 8 HA LEU 8 -0.208 1.843 -6.655
62 HB2 LEU 8 2HB LEU 8 0.276 1.681 -9.626
63 HB3 LEU 8 1HB LEU 8 -1.330 1.761 -8.925
64 HG LEU 8 HG LEU 8 0.704 3.858 -8.288
65 HD11 LEU 8 1HD1 LEU 8 0.723 4.586 -10.391
66 HD12 LEU 8 2HD1 LEU 8 -1.014 4.863 -10.266
67 HD13 LEU 8 3HD1 LEU 8 -0.406 3.324 -10.878
68 HD21 LEU 8 3HD2 LEU 8 -1.635 5.119 -8.371
69 HD22 LEU 8 1HD2 LEU 8 -1.048 4.289 -6.930
70 HD23 LEU 8 2HD2 LEU 8 -2.210 3.495 -7.994
71 H LYS 9 H LYS 9 -0.828 0.087 -5.624
72 HA LYS 9 HA LYS 9 -1.446 -2.305 -7.162
73 HB2 LYS 9 2HB LYS 9 0.820 -2.741 -6.339
74 HB3 LYS 9 1HB LYS 9 0.345 -2.294 -4.711
75 HG2 LYS 9 2HG LYS 9 -1.055 -4.565 -6.039
76 HG3 LYS 9 1HG LYS 9 0.580 -4.806 -5.424
77 HD2 LYS 9 2HD LYS 9 -0.144 -4.054 -3.208
78 HD3 LYS 9 1HD LYS 9 -1.775 -3.801 -3.824
79 HE2 LYS 9 2HE LYS 9 -2.018 -5.873 -2.891
80 HE3 LYS 9 1HE LYS 9 -1.549 -6.325 -4.527
81 HZ1 LYS 9 3HZ LYS 9 0.488 -7.037 -3.840
82 HZ2 LYS 9 1HZ LYS 9 -0.390 -7.357 -2.424
83 HZ3 LYS 9 2HZ LYS 9 0.567 -5.966 -2.532
84 H LYS 10 H LYS 10 -3.451 -2.967 -6.591
85 HA LYS 10 HA LYS 10 -4.920 -1.621 -4.595
86 HB2 LYS 10 2HB LYS 10 -5.458 -4.061 -6.255
87 HB3 LYS 10 1HB LYS 10 -6.555 -3.617 -4.952
88 HG2 LYS 10 2HG LYS 10 -6.786 -1.379 -5.992
89 HG3 LYS 10 1HG LYS 10 -5.830 -1.957 -7.355
90 HD2 LYS 10 2HD LYS 10 -8.154 -2.133 -7.929
91 HD3 LYS 10 1HD LYS 10 -7.520 -3.762 -7.686
92 HE2 LYS 10 2HE LYS 10 -8.474 -3.828 -5.454
93 HE3 LYS 10 1HE LYS 10 -9.045 -2.168 -5.628
94 HZ1 LYS 10 3HZ LYS 10 -10.791 -3.825 -6.019
95 HZ2 LYS 10 1HZ LYS 10 -9.914 -4.441 -7.329
96 HZ3 LYS 10 2HZ LYS 10 -10.514 -2.860 -7.380
97 H CYS 11 H CYS 11 -4.820 -1.843 -2.515
98 HA CYS 11 HA CYS 11 -3.469 -4.138 -1.386
99 HB2 CYS 11 2HB CYS 11 -3.679 -2.826 0.749
100 HB3 CYS 11 1HB CYS 11 -2.752 -2.060 -0.534
101 H ARG 12 H ARG 12 -4.268 -5.666 -0.190
102 HA ARG 12 HA ARG 12 -7.169 -5.716 0.292
103 HB2 ARG 12 2HB ARG 12 -5.163 -7.985 0.169
104 HB3 ARG 12 1HB ARG 12 -6.889 -8.169 0.451
105 HG2 ARG 12 2HG ARG 12 -7.428 -7.530 -1.737
106 HG3 ARG 12 1HG ARG 12 -5.826 -6.854 -2.025
107 HD2 ARG 12 2HD ARG 12 -6.390 -9.781 -1.562
108 HD3 ARG 12 1HD ARG 12 -6.212 -9.038 -3.153
109 HE ARG 12 HE ARG 12 -3.955 -8.365 -1.645
110 HH11 ARG 12 1HH1 ARG 12 -5.423 -11.218 -3.065
111 HH12 ARG 12 2HH1 ARG 12 -3.921 -12.059 -3.245
112 HH21 ARG 12 1HH2 ARG 12 -1.978 -9.459 -1.864
113 HH22 ARG 12 2HH2 ARG 12 -1.949 -11.058 -2.556
114 H ARG 13 H ARG 13 -4.347 -4.990 1.666
115 HA ARG 13 HA ARG 13 -5.088 -4.564 4.240
116 HB2 ARG 13 2HB ARG 13 -3.928 -6.392 5.498
117 HB3 ARG 13 1HB ARG 13 -5.398 -6.904 4.695
118 HG2 ARG 13 2HG ARG 13 -4.027 -7.853 2.872
119 HG3 ARG 13 1HG ARG 13 -2.578 -7.404 3.771
120 HD2 ARG 13 2HD ARG 13 -3.185 -9.767 4.097
121 HD3 ARG 13 1HD ARG 13 -3.220 -8.851 5.601
122 HE ARG 13 HE ARG 13 -5.428 -9.357 5.791
123 HH11 ARG 13 1HH1 ARG 13 -4.526 -9.780 2.433
124 HH12 ARG 13 2HH1 ARG 13 -6.096 -10.320 1.944
125 HH21 ARG 13 1HH2 ARG 13 -7.502 -10.079 5.150
126 HH22 ARG 13 2HH2 ARG 13 -7.794 -10.489 3.494
127 H ASP 14 H ASP 14 -3.218 -4.042 5.620
128 HA ASP 14 HA ASP 14 -1.239 -2.663 4.201
129 HB2 ASP 14 2HB ASP 14 -1.307 -3.544 7.090
130 HB3 ASP 14 1HB ASP 14 -0.069 -2.483 6.424
131 H SER 15 H SER 15 -1.158 -5.831 5.735
132 HA SER 15 HA SER 15 1.582 -6.362 5.347
133 HB2 SER 15 2HB SER 15 0.173 -7.625 6.925
134 HB3 SER 15 1HB SER 15 -0.726 -8.309 5.573
135 HG SER 15 HG SER 15 1.775 -8.801 5.040
136 H ASP 16 H ASP 16 -0.996 -6.213 3.146
137 HA ASP 16 HA ASP 16 0.084 -8.056 1.190
138 HB2 ASP 16 2HB ASP 16 -2.365 -7.607 1.487
139 HB3 ASP 16 1HB ASP 16 -2.094 -5.969 0.915
140 H CYS 17 H CYS 17 0.523 -4.857 2.166
141 HA CYS 17 HA CYS 17 1.526 -3.901 -0.381
142 HB2 CYS 17 2HB CYS 17 1.224 -2.595 2.325
143 HB3 CYS 17 1HB CYS 17 1.857 -1.773 0.904
144 HA PRO 18 HA PRO 18 5.706 -5.040 0.449
145 HB2 PRO 18 2HB PRO 18 6.968 -3.338 -1.245
146 HB3 PRO 18 1HB PRO 18 6.079 -4.763 -1.794
147 HG2 PRO 18 2HG PRO 18 5.209 -1.899 -1.725
148 HG3 PRO 18 1HG PRO 18 4.976 -3.109 -3.000
149 HD2 PRO 18 2HD PRO 18 3.026 -2.446 -1.241
150 HD3 PRO 18 1HD PRO 18 3.180 -4.075 -1.927
151 H GLY 19 H GLY 19 7.441 -4.440 1.673
152 HA2 GLY 19 2HA GLY 19 8.665 -3.240 3.194
153 HA3 GLY 19 1HA GLY 19 8.293 -1.830 2.213
154 H GLU 20 H GLU 20 7.581 -0.276 3.511
155 HA GLU 20 HA GLU 20 5.808 -1.005 5.724
156 HB2 GLU 20 2HB GLU 20 7.407 1.500 5.202
157 HB3 GLU 20 1HB GLU 20 6.276 1.322 6.534
158 HG2 GLU 20 2HG GLU 20 7.629 -0.610 7.332
159 HG3 GLU 20 1HG GLU 20 8.812 -0.226 6.079
160 H CYS 21 H CYS 21 5.081 -0.728 2.813
161 HA CYS 21 HA CYS 21 3.529 1.645 2.552
162 HB2 CYS 21 2HB CYS 21 3.464 -0.990 1.085
163 HB3 CYS 21 1HB CYS 21 2.409 0.357 0.673
164 H ILE 22 H ILE 22 1.390 2.011 2.939
165 HA ILE 22 HA ILE 22 -0.017 -0.097 4.455
166 HB ILE 22 HB ILE 22 -1.238 1.725 5.614
167 HG12 ILE 22 2HG1 ILE 22 0.806 3.534 4.295
168 HG13 ILE 22 1HG1 ILE 22 -0.905 3.472 3.886
169 HG21 ILE 22 1HG2 ILE 22 0.330 1.885 7.255
170 HG22 ILE 22 2HG2 ILE 22 1.622 2.322 6.137
171 HG23 ILE 22 3HG2 ILE 22 1.102 0.642 6.271
172 HD11 ILE 22 3HD1 ILE 22 -0.686 5.335 5.268
173 HD12 ILE 22 1HD1 ILE 22 0.383 4.493 6.389
174 HD13 ILE 22 2HD1 ILE 22 -1.331 4.079 6.326
175 H CYS 23 H CYS 23 -2.326 -0.168 4.244
176 HA CYS 23 HA CYS 23 -3.152 0.260 1.517
177 HB2 CYS 23 2HB CYS 23 -3.787 -1.729 2.944
178 HB3 CYS 23 1HB CYS 23 -4.843 -0.658 3.853
179 H LYS 24 H LYS 24 -3.517 2.361 0.960
180 HA LYS 24 HA LYS 24 -4.778 4.107 2.888
181 HB2 LYS 24 2HB LYS 24 -4.464 5.898 1.245
182 HB3 LYS 24 1HB LYS 24 -2.978 5.045 1.609
183 HG2 LYS 24 2HG LYS 24 -3.070 3.885 -0.477
184 HG3 LYS 24 1HG LYS 24 -4.664 4.555 -0.828
185 HD2 LYS 24 2HD LYS 24 -3.166 5.866 -2.080
186 HD3 LYS 24 1HD LYS 24 -3.563 6.847 -0.672
187 HE2 LYS 24 2HE LYS 24 -1.099 5.124 -0.882
188 HE3 LYS 24 1HE LYS 24 -1.139 6.830 -1.315
189 HZ1 LYS 24 3HZ LYS 24 -1.986 5.929 1.364
190 HZ2 LYS 24 1HZ LYS 24 -1.447 7.456 0.882
191 HZ3 LYS 24 2HZ LYS 24 -0.348 6.173 1.017
192 H GLY 25 H GLY 25 -6.503 5.635 2.045
193 HA2 GLY 25 2HA GLY 25 -8.896 4.349 1.922
194 HA3 GLY 25 1HA GLY 25 -8.658 6.010 1.436
195 H ASN 26 H ASN 26 -7.024 5.337 -0.924
196 HA ASN 26 HA ASN 26 -9.259 4.828 -2.667
197 HB2 ASN 26 2HB ASN 26 -7.924 5.506 -4.460
198 HB3 ASN 26 1HB ASN 26 -7.316 6.460 -3.112
199 HD21 ASN 26 1HD2 ASN 26 -6.377 4.797 -5.715
200 HD22 ASN 26 2HD2 ASN 26 -4.805 4.287 -5.210
201 H GLY 27 H GLY 27 -7.701 2.699 -0.924
202 HA2 GLY 27 2HA GLY 27 -7.602 0.409 -1.041
203 HA3 GLY 27 1HA GLY 27 -8.379 0.507 -2.614
204 H TYR 28 H TYR 28 -5.426 2.224 -1.990
205 HA TYR 28 HA TYR 28 -3.942 0.183 -3.494
206 HB2 TYR 28 2HB TYR 28 -4.064 3.125 -3.989
207 HB3 TYR 28 1HB TYR 28 -2.552 2.286 -4.283
208 HD1 TYR 28 2HD TYR 28 -6.084 1.240 -4.919
209 HD2 TYR 28 1HD TYR 28 -2.270 2.160 -6.591
210 HE1 TYR 28 2HE TYR 28 -6.892 0.552 -7.129
211 HE2 TYR 28 1HE TYR 28 -3.084 1.465 -8.802
212 HH TYR 28 HH TYR 28 -5.235 1.229 -9.994
213 H CYS 29 H CYS 29 -1.700 0.175 -3.142
214 HA CYS 29 HA CYS 29 -1.033 0.501 -0.370
215 HB2 CYS 29 2HB CYS 29 0.473 -0.518 -2.776
216 HB3 CYS 29 1HB CYS 29 1.212 -0.408 -1.177
217 H GLY 30 H GLY 30 -0.238 2.291 0.515
218 HA2 GLY 30 2HA GLY 30 1.881 3.755 -0.735
219 HA3 GLY 30 1HA GLY 30 0.359 4.637 -0.792
Start of MODEL 11
1 H1 PCA 1 H PCA 1 4.968 7.587 9.725
2 HA PCA 1 HA PCA 1 6.888 8.703 8.664
3 HB2 PCA 1 1HB PCA 1 8.993 7.349 10.077
4 HB3 PCA 1 2HB PCA 1 8.491 9.038 10.284
5 HG2 PCA 1 1HG PCA 1 8.103 6.849 12.096
6 HG3 PCA 1 2HG PCA 1 7.547 8.533 12.279
7 H ARG 2 H ARG 2 5.419 6.141 8.319
8 HA ARG 2 HA ARG 2 7.166 4.067 7.563
9 HB2 ARG 2 2HB ARG 2 4.279 4.690 7.209
10 HB3 ARG 2 1HB ARG 2 4.981 3.467 6.164
11 HG2 ARG 2 2HG ARG 2 3.859 2.692 8.312
12 HG3 ARG 2 1HG ARG 2 5.449 2.043 7.941
13 HD2 ARG 2 2HD ARG 2 5.273 4.478 9.643
14 HD3 ARG 2 1HD ARG 2 4.852 2.920 10.354
15 HE ARG 2 HE ARG 2 7.277 2.578 9.037
16 HH11 ARG 2 1HH1 ARG 2 6.088 4.506 11.729
17 HH12 ARG 2 2HH1 ARG 2 7.607 4.472 12.560
18 HH21 ARG 2 1HH2 ARG 2 9.227 2.531 10.101
19 HH22 ARG 2 2HH2 ARG 2 9.414 3.350 11.629
20 H ALA 3 H ALA 3 8.359 3.809 5.813
21 HA ALA 3 HA ALA 3 8.184 5.781 3.681
22 HB1 ALA 3 1HB ALA 3 10.383 5.215 4.516
23 HB2 ALA 3 2HB ALA 3 10.227 4.719 2.830
24 HB3 ALA 3 3HB ALA 3 10.125 3.516 4.116
25 H CYS 4 H CYS 4 7.446 5.426 1.672
26 HA CYS 4 HA CYS 4 7.051 2.765 0.651
27 HB2 CYS 4 2HB CYS 4 5.022 3.005 1.998
28 HB3 CYS 4 1HB CYS 4 4.658 4.536 1.209
29 HA PRO 5 HA PRO 5 7.811 5.207 -2.989
30 HB2 PRO 5 2HB PRO 5 7.768 3.199 -4.783
31 HB3 PRO 5 1HB PRO 5 9.107 3.402 -3.648
32 HG2 PRO 5 2HG PRO 5 6.784 1.522 -3.522
33 HG3 PRO 5 1HG PRO 5 8.488 1.224 -3.137
34 HD2 PRO 5 2HD PRO 5 6.564 1.718 -1.252
35 HD3 PRO 5 1HD PRO 5 8.286 2.082 -1.024
36 H ARG 6 H ARG 6 6.694 5.717 -5.026
37 HA ARG 6 HA ARG 6 3.857 5.753 -4.675
38 HB2 ARG 6 2HB ARG 6 5.138 7.637 -5.694
39 HB3 ARG 6 1HB ARG 6 5.452 6.621 -7.094
40 HG2 ARG 6 2HG ARG 6 3.621 8.145 -7.534
41 HG3 ARG 6 1HG ARG 6 3.046 6.474 -7.526
42 HD2 ARG 6 2HD ARG 6 2.395 6.854 -5.109
43 HD3 ARG 6 1HD ARG 6 2.709 8.566 -5.387
44 HE ARG 6 HE ARG 6 0.724 8.710 -6.498
45 HH11 ARG 6 1HH1 ARG 6 1.614 5.331 -6.260
46 HH12 ARG 6 2HH1 ARG 6 0.152 4.757 -6.982
47 HH21 ARG 6 1HH2 ARG 6 -1.221 7.955 -7.456
48 HH22 ARG 6 2HH2 ARG 6 -1.464 6.253 -7.670
49 H ILE 7 H ILE 7 3.882 3.316 -4.600
50 HA ILE 7 HA ILE 7 3.938 2.012 -7.199
51 HB ILE 7 HB ILE 7 4.866 0.922 -5.129
52 HG12 ILE 7 2HG1 ILE 7 2.628 -0.584 -6.505
53 HG13 ILE 7 1HG1 ILE 7 4.255 -0.377 -7.144
54 HG21 ILE 7 1HG2 ILE 7 1.952 0.700 -4.399
55 HG22 ILE 7 2HG2 ILE 7 3.189 1.611 -3.532
56 HG23 ILE 7 3HG2 ILE 7 3.268 -0.151 -3.590
57 HD11 ILE 7 3HD1 ILE 7 4.874 -2.219 -6.096
58 HD12 ILE 7 1HD1 ILE 7 3.264 -2.379 -5.393
59 HD13 ILE 7 2HD1 ILE 7 4.507 -1.455 -4.548
60 H LEU 8 H LEU 8 2.110 0.764 -7.968
61 HA LEU 8 HA LEU 8 -0.465 1.849 -7.075
62 HB2 LEU 8 2HB LEU 8 0.584 1.415 -9.844
63 HB3 LEU 8 1HB LEU 8 -1.143 1.400 -9.540
64 HG LEU 8 HG LEU 8 0.464 3.712 -8.563
65 HD11 LEU 8 1HD1 LEU 8 0.799 3.010 -11.137
66 HD12 LEU 8 2HD1 LEU 8 0.753 4.685 -10.588
67 HD13 LEU 8 3HD1 LEU 8 -0.693 3.941 -11.271
68 HD21 LEU 8 3HD2 LEU 8 -2.115 3.127 -8.296
69 HD22 LEU 8 1HD2 LEU 8 -2.185 3.943 -9.857
70 HD23 LEU 8 2HD2 LEU 8 -1.529 4.783 -8.452
71 H LYS 9 H LYS 9 -0.098 -0.159 -5.700
72 HA LYS 9 HA LYS 9 -1.143 -2.519 -7.123
73 HB2 LYS 9 2HB LYS 9 1.108 -2.846 -6.159
74 HB3 LYS 9 1HB LYS 9 0.506 -2.380 -4.580
75 HG2 LYS 9 2HG LYS 9 -0.785 -4.684 -5.947
76 HG3 LYS 9 1HG LYS 9 0.826 -4.906 -5.263
77 HD2 LYS 9 2HD LYS 9 0.027 -4.185 -3.084
78 HD3 LYS 9 1HD LYS 9 -1.573 -3.866 -3.755
79 HE2 LYS 9 2HE LYS 9 -1.862 -5.942 -2.789
80 HE3 LYS 9 1HE LYS 9 -1.495 -6.362 -4.459
81 HZ1 LYS 9 3HZ LYS 9 0.582 -7.132 -3.894
82 HZ2 LYS 9 1HZ LYS 9 -0.312 -7.580 -2.525
83 HZ3 LYS 9 2HZ LYS 9 0.679 -6.208 -2.480
84 H LYS 10 H LYS 10 -3.181 -3.080 -6.617
85 HA LYS 10 HA LYS 10 -4.700 -1.634 -4.709
86 HB2 LYS 10 2HB LYS 10 -5.207 -3.979 -6.482
87 HB3 LYS 10 1HB LYS 10 -6.310 -3.709 -5.138
88 HG2 LYS 10 2HG LYS 10 -6.846 -1.519 -5.941
89 HG3 LYS 10 1HG LYS 10 -5.625 -1.631 -7.207
90 HD2 LYS 10 2HD LYS 10 -6.873 -3.474 -8.231
91 HD3 LYS 10 1HD LYS 10 -8.091 -3.354 -6.958
92 HE2 LYS 10 2HE LYS 10 -8.601 -1.075 -7.650
93 HE3 LYS 10 1HE LYS 10 -7.360 -1.162 -8.897
94 HZ1 LYS 10 3HZ LYS 10 -9.940 -2.596 -8.772
95 HZ2 LYS 10 1HZ LYS 10 -8.683 -3.130 -9.771
96 HZ3 LYS 10 2HZ LYS 10 -9.351 -1.593 -9.999
97 H CYS 11 H CYS 11 -4.788 -1.899 -2.596
98 HA CYS 11 HA CYS 11 -3.539 -4.276 -1.463
99 HB2 CYS 11 2HB CYS 11 -3.605 -2.948 0.661
100 HB3 CYS 11 1HB CYS 11 -2.656 -2.236 -0.638
101 H ARG 12 H ARG 12 -4.450 -5.683 -0.154
102 HA ARG 12 HA ARG 12 -7.347 -5.439 0.334
103 HB2 ARG 12 2HB ARG 12 -7.434 -7.870 0.421
104 HB3 ARG 12 1HB ARG 12 -6.687 -7.369 -1.090
105 HG2 ARG 12 2HG ARG 12 -4.460 -7.761 0.001
106 HG3 ARG 12 1HG ARG 12 -5.337 -8.499 1.343
107 HD2 ARG 12 2HD ARG 12 -5.417 -9.389 -1.537
108 HD3 ARG 12 1HD ARG 12 -4.539 -10.184 -0.232
109 HE ARG 12 HE ARG 12 -7.253 -9.980 0.472
110 HH11 ARG 12 1HH1 ARG 12 -5.168 -11.673 -1.760
111 HH12 ARG 12 2HH1 ARG 12 -6.196 -13.064 -1.881
112 HH21 ARG 12 1HH2 ARG 12 -8.631 -11.814 0.324
113 HH22 ARG 12 2HH2 ARG 12 -8.178 -13.142 -0.690
114 H ARG 13 H ARG 13 -4.447 -5.015 1.649
115 HA ARG 13 HA ARG 13 -5.153 -4.574 4.250
116 HB2 ARG 13 2HB ARG 13 -4.019 -6.465 5.441
117 HB3 ARG 13 1HB ARG 13 -5.532 -6.902 4.673
118 HG2 ARG 13 2HG ARG 13 -4.253 -7.866 2.794
119 HG3 ARG 13 1HG ARG 13 -2.761 -7.493 3.658
120 HD2 ARG 13 2HD ARG 13 -4.965 -9.230 4.763
121 HD3 ARG 13 1HD ARG 13 -3.550 -9.854 3.915
122 HE ARG 13 HE ARG 13 -2.583 -8.252 5.945
123 HH11 ARG 13 1HH1 ARG 13 -4.565 -11.127 5.731
124 HH12 ARG 13 2HH1 ARG 13 -4.003 -11.783 7.230
125 HH21 ARG 13 1HH2 ARG 13 -1.821 -9.110 7.911
126 HH22 ARG 13 2HH2 ARG 13 -2.436 -10.630 8.481
127 H ASP 14 H ASP 14 -3.303 -4.065 5.576
128 HA ASP 14 HA ASP 14 -1.279 -2.745 4.177
129 HB2 ASP 14 2HB ASP 14 -1.371 -3.634 7.064
130 HB3 ASP 14 1HB ASP 14 -0.124 -2.581 6.402
131 H SER 15 H SER 15 -1.308 -5.928 5.662
132 HA SER 15 HA SER 15 1.416 -6.542 5.400
133 HB2 SER 15 2HB SER 15 -0.756 -8.607 5.177
134 HB3 SER 15 1HB SER 15 0.812 -8.731 5.979
135 HG SER 15 HG SER 15 -0.049 -7.044 7.437
136 H ASP 16 H ASP 16 -1.089 -6.354 3.058
137 HA ASP 16 HA ASP 16 0.146 -8.101 1.114
138 HB2 ASP 16 2HB ASP 16 -2.350 -7.647 1.344
139 HB3 ASP 16 1HB ASP 16 -2.038 -6.057 0.662
140 H CYS 17 H CYS 17 0.521 -4.932 2.184
141 HA CYS 17 HA CYS 17 1.584 -3.903 -0.310
142 HB2 CYS 17 2HB CYS 17 1.163 -2.672 2.412
143 HB3 CYS 17 1HB CYS 17 1.891 -1.810 1.061
144 HA PRO 18 HA PRO 18 5.738 -5.030 0.650
145 HB2 PRO 18 2HB PRO 18 7.034 -3.413 -1.083
146 HB3 PRO 18 1HB PRO 18 6.115 -4.828 -1.605
147 HG2 PRO 18 2HG PRO 18 5.321 -1.943 -1.619
148 HG3 PRO 18 1HG PRO 18 5.062 -3.181 -2.861
149 HD2 PRO 18 2HD PRO 18 3.131 -2.407 -1.106
150 HD3 PRO 18 1HD PRO 18 3.214 -4.037 -1.795
151 H GLY 19 H GLY 19 7.454 -4.391 1.881
152 HA2 GLY 19 2HA GLY 19 8.667 -3.137 3.369
153 HA3 GLY 19 1HA GLY 19 8.308 -1.763 2.333
154 H GLU 20 H GLU 20 7.613 -0.163 3.592
155 HA GLU 20 HA GLU 20 5.855 -0.796 5.843
156 HB2 GLU 20 2HB GLU 20 7.283 1.770 5.131
157 HB3 GLU 20 1HB GLU 20 6.273 1.536 6.549
158 HG2 GLU 20 2HG GLU 20 7.844 -0.254 7.281
159 HG3 GLU 20 1HG GLU 20 8.893 0.196 5.935
160 H CYS 21 H CYS 21 5.152 -0.618 2.858
161 HA CYS 21 HA CYS 21 3.500 1.668 2.553
162 HB2 CYS 21 2HB CYS 21 3.511 -1.001 1.143
163 HB3 CYS 21 1HB CYS 21 2.446 0.324 0.690
164 H ILE 22 H ILE 22 1.392 1.999 3.004
165 HA ILE 22 HA ILE 22 0.014 -0.153 4.485
166 HB ILE 22 HB ILE 22 -1.240 1.636 5.659
167 HG12 ILE 22 2HG1 ILE 22 0.779 3.492 4.373
168 HG13 ILE 22 1HG1 ILE 22 -0.928 3.408 3.953
169 HG21 ILE 22 1HG2 ILE 22 0.506 0.720 6.908
170 HG22 ILE 22 2HG2 ILE 22 0.781 2.460 7.012
171 HG23 ILE 22 3HG2 ILE 22 1.746 1.479 5.908
172 HD11 ILE 22 3HD1 ILE 22 0.170 5.133 5.742
173 HD12 ILE 22 1HD1 ILE 22 -0.428 3.852 6.795
174 HD13 ILE 22 2HD1 ILE 22 -1.531 4.671 5.691
175 H CYS 23 H CYS 23 -2.315 -0.230 4.254
176 HA CYS 23 HA CYS 23 -3.086 0.213 1.516
177 HB2 CYS 23 2HB CYS 23 -3.770 -1.769 2.959
178 HB3 CYS 23 1HB CYS 23 -4.874 -0.676 3.786
179 H LYS 24 H LYS 24 -3.355 2.336 0.995
180 HA LYS 24 HA LYS 24 -4.637 4.121 2.868
181 HB2 LYS 24 2HB LYS 24 -4.248 5.872 1.259
182 HB3 LYS 24 1HB LYS 24 -2.801 4.897 1.400
183 HG2 LYS 24 2HG LYS 24 -3.273 3.807 -0.687
184 HG3 LYS 24 1HG LYS 24 -4.824 4.637 -0.809
185 HD2 LYS 24 2HD LYS 24 -3.266 5.759 -2.240
186 HD3 LYS 24 1HD LYS 24 -3.586 6.802 -0.857
187 HE2 LYS 24 2HE LYS 24 -1.226 4.951 -0.897
188 HE3 LYS 24 1HE LYS 24 -1.155 6.530 -1.675
189 HZ1 LYS 24 3HZ LYS 24 -0.938 7.540 0.284
190 HZ2 LYS 24 1HZ LYS 24 -0.603 6.013 0.939
191 HZ3 LYS 24 2HZ LYS 24 -2.175 6.647 1.005
192 H GLY 25 H GLY 25 -6.580 5.306 2.460
193 HA2 GLY 25 2HA GLY 25 -8.825 3.838 1.948
194 HA3 GLY 25 1HA GLY 25 -8.767 5.585 1.808
195 H ASN 26 H ASN 26 -6.823 5.368 -0.426
196 HA ASN 26 HA ASN 26 -8.594 5.479 -2.600
197 HB2 ASN 26 2HB ASN 26 -6.650 6.704 -2.901
198 HB3 ASN 26 1HB ASN 26 -5.623 5.436 -2.248
199 HD21 ASN 26 1HD2 ASN 26 -4.414 4.456 -3.638
200 HD22 ASN 26 2HD2 ASN 26 -4.713 4.258 -5.324
201 H GLY 27 H GLY 27 -7.071 2.812 -1.059
202 HA2 GLY 27 2HA GLY 27 -7.730 0.572 -1.415
203 HA3 GLY 27 1HA GLY 27 -8.238 1.002 -3.044
204 H TYR 28 H TYR 28 -5.275 2.348 -2.320
205 HA TYR 28 HA TYR 28 -3.837 0.086 -3.518
206 HB2 TYR 28 2HB TYR 28 -3.600 3.011 -4.200
207 HB3 TYR 28 1HB TYR 28 -2.285 1.885 -4.512
208 HD1 TYR 28 1HD TYR 28 -5.977 1.483 -4.951
209 HD2 TYR 28 2HD TYR 28 -2.151 1.639 -6.801
210 HE1 TYR 28 1HE TYR 28 -6.987 0.836 -7.091
211 HE2 TYR 28 2HE TYR 28 -3.154 0.990 -8.937
212 HH TYR 28 HH TYR 28 -5.319 1.044 -10.056
213 H CYS 29 H CYS 29 -1.535 0.157 -3.152
214 HA CYS 29 HA CYS 29 -1.001 0.507 -0.354
215 HB2 CYS 29 2HB CYS 29 0.691 -0.425 -2.672
216 HB3 CYS 29 1HB CYS 29 1.305 -0.321 -1.022
217 H GLY 30 H GLY 30 -0.110 2.167 0.638
218 HA2 GLY 30 2HA GLY 30 1.912 3.806 -0.462
219 HA3 GLY 30 1HA GLY 30 0.356 4.623 -0.585
Start of MODEL 12
1 H1 PCA 1 H PCA 1 2.911 6.781 9.754
2 HA PCA 1 HA PCA 1 5.218 7.520 10.217
3 HB2 PCA 1 1HB PCA 1 5.922 5.479 12.118
4 HB3 PCA 1 2HB PCA 1 5.638 7.197 12.457
5 HG2 PCA 1 1HG PCA 1 3.976 4.963 13.151
6 HG3 PCA 1 2HG PCA 1 3.662 6.692 13.444
7 H ARG 2 H ARG 2 4.100 5.743 8.272
8 HA ARG 2 HA ARG 2 6.210 3.712 8.021
9 HB2 ARG 2 2HB ARG 2 3.590 3.573 6.556
10 HB3 ARG 2 1HB ARG 2 4.715 2.275 6.920
11 HG2 ARG 2 2HG ARG 2 3.080 1.788 8.415
12 HG3 ARG 2 1HG ARG 2 4.037 2.882 9.409
13 HD2 ARG 2 2HD ARG 2 2.561 4.742 8.689
14 HD3 ARG 2 1HD ARG 2 1.564 3.576 7.825
15 HE ARG 2 HE ARG 2 1.551 4.132 10.638
16 HH11 ARG 2 1HH1 ARG 2 0.921 1.613 8.260
17 HH12 ARG 2 2HH1 ARG 2 -0.160 0.736 9.287
18 HH21 ARG 2 1HH2 ARG 2 0.149 2.966 11.988
19 HH22 ARG 2 2HH2 ARG 2 -0.590 1.502 11.423
20 H ALA 3 H ALA 3 7.443 3.726 6.203
21 HA ALA 3 HA ALA 3 7.009 5.962 4.357
22 HB1 ALA 3 1HB ALA 3 9.307 5.491 3.599
23 HB2 ALA 3 2HB ALA 3 9.391 4.161 4.753
24 HB3 ALA 3 3HB ALA 3 9.208 5.818 5.328
25 H CYS 4 H CYS 4 6.631 5.736 2.202
26 HA CYS 4 HA CYS 4 6.838 3.141 0.937
27 HB2 CYS 4 2HB CYS 4 4.582 3.069 1.922
28 HB3 CYS 4 1HB CYS 4 4.176 4.578 1.114
29 HA PRO 5 HA PRO 5 7.875 5.974 -2.324
30 HB2 PRO 5 2HB PRO 5 8.532 4.184 -4.195
31 HB3 PRO 5 1HB PRO 5 9.518 4.391 -2.743
32 HG2 PRO 5 2HG PRO 5 7.494 2.281 -3.374
33 HG3 PRO 5 1HG PRO 5 9.076 2.115 -2.594
34 HD2 PRO 5 2HD PRO 5 6.671 2.230 -1.245
35 HD3 PRO 5 1HD PRO 5 8.242 2.650 -0.536
36 H ARG 6 H ARG 6 7.496 5.136 -5.034
37 HA ARG 6 HA ARG 6 4.643 5.693 -5.279
38 HB2 ARG 6 2HB ARG 6 6.150 7.163 -6.509
39 HB3 ARG 6 1HB ARG 6 6.873 5.782 -7.323
40 HG2 ARG 6 2HG ARG 6 5.319 6.968 -8.776
41 HG3 ARG 6 1HG ARG 6 4.769 5.322 -8.454
42 HD2 ARG 6 2HD ARG 6 3.222 6.171 -6.760
43 HD3 ARG 6 1HD ARG 6 3.777 7.815 -7.074
44 HE ARG 6 HE ARG 6 2.919 6.751 -9.496
45 HH11 ARG 6 1HH1 ARG 6 1.546 7.579 -6.391
46 HH12 ARG 6 2HH1 ARG 6 -0.016 7.961 -7.030
47 HH21 ARG 6 1HH2 ARG 6 0.852 7.257 -10.359
48 HH22 ARG 6 2HH2 ARG 6 -0.413 7.777 -9.297
49 H ILE 7 H ILE 7 3.343 4.009 -5.455
50 HA ILE 7 HA ILE 7 3.930 1.935 -7.389
51 HB ILE 7 HB ILE 7 4.910 1.135 -5.204
52 HG12 ILE 7 2HG1 ILE 7 2.596 -0.493 -6.281
53 HG13 ILE 7 1HG1 ILE 7 4.195 -0.406 -7.009
54 HG21 ILE 7 1HG2 ILE 7 2.016 1.117 -4.366
55 HG22 ILE 7 2HG2 ILE 7 3.320 2.067 -3.655
56 HG23 ILE 7 3HG2 ILE 7 3.321 0.310 -3.494
57 HD11 ILE 7 3HD1 ILE 7 5.100 -1.807 -5.498
58 HD12 ILE 7 1HD1 ILE 7 3.430 -2.348 -5.342
59 HD13 ILE 7 2HD1 ILE 7 4.099 -1.207 -4.177
60 H LEU 8 H LEU 8 2.023 0.661 -7.894
61 HA LEU 8 HA LEU 8 -0.489 1.833 -6.954
62 HB2 LEU 8 2HB LEU 8 0.425 1.497 -9.791
63 HB3 LEU 8 1HB LEU 8 -1.284 1.515 -9.395
64 HG LEU 8 HG LEU 8 0.462 3.740 -8.444
65 HD11 LEU 8 1HD1 LEU 8 0.863 3.379 -10.904
66 HD12 LEU 8 2HD1 LEU 8 0.194 4.953 -10.474
67 HD13 LEU 8 3HD1 LEU 8 -0.852 3.705 -11.152
68 HD21 LEU 8 3HD2 LEU 8 -1.469 4.605 -7.800
69 HD22 LEU 8 1HD2 LEU 8 -2.268 3.118 -8.309
70 HD23 LEU 8 2HD2 LEU 8 -2.118 4.467 -9.434
71 H LYS 9 H LYS 9 -0.196 -0.165 -5.664
72 HA LYS 9 HA LYS 9 -1.235 -2.511 -7.114
73 HB2 LYS 9 2HB LYS 9 1.023 -2.845 -6.141
74 HB3 LYS 9 1HB LYS 9 0.401 -2.414 -4.557
75 HG2 LYS 9 2HG LYS 9 -0.808 -4.715 -6.026
76 HG3 LYS 9 1HG LYS 9 0.749 -4.914 -5.223
77 HD2 LYS 9 2HD LYS 9 -0.239 -4.210 -3.109
78 HD3 LYS 9 1HD LYS 9 -1.790 -3.947 -3.905
79 HE2 LYS 9 2HE LYS 9 -2.156 -6.033 -3.062
80 HE3 LYS 9 1HE LYS 9 -1.449 -6.471 -4.615
81 HZ1 LYS 9 3HZ LYS 9 -0.600 -7.553 -2.426
82 HZ2 LYS 9 1HZ LYS 9 0.306 -6.131 -2.280
83 HZ3 LYS 9 2HZ LYS 9 0.505 -7.122 -3.635
84 H LYS 10 H LYS 10 -3.281 -3.073 -6.595
85 HA LYS 10 HA LYS 10 -4.791 -1.606 -4.707
86 HB2 LYS 10 2HB LYS 10 -5.293 -4.008 -6.403
87 HB3 LYS 10 1HB LYS 10 -6.392 -3.697 -5.063
88 HG2 LYS 10 2HG LYS 10 -6.934 -1.534 -5.928
89 HG3 LYS 10 1HG LYS 10 -5.716 -1.681 -7.194
90 HD2 LYS 10 2HD LYS 10 -6.959 -3.558 -8.162
91 HD3 LYS 10 1HD LYS 10 -8.179 -3.400 -6.894
92 HE2 LYS 10 2HE LYS 10 -8.711 -1.157 -7.658
93 HE3 LYS 10 1HE LYS 10 -7.452 -1.257 -8.887
94 HZ1 LYS 10 3HZ LYS 10 -10.067 -1.928 -9.219
95 HZ2 LYS 10 1HZ LYS 10 -9.311 -3.430 -9.033
96 HZ3 LYS 10 2HZ LYS 10 -8.797 -2.368 -10.245
97 H CYS 11 H CYS 11 -4.726 -1.760 -2.597
98 HA CYS 11 HA CYS 11 -3.402 -4.010 -1.384
99 HB2 CYS 11 2HB CYS 11 -3.622 -2.719 0.712
100 HB3 CYS 11 1HB CYS 11 -2.825 -1.836 -0.581
101 H ARG 12 H ARG 12 -4.169 -5.527 -0.173
102 HA ARG 12 HA ARG 12 -7.084 -5.700 0.194
103 HB2 ARG 12 2HB ARG 12 -4.977 -7.879 0.193
104 HB3 ARG 12 1HB ARG 12 -6.701 -8.136 0.430
105 HG2 ARG 12 2HG ARG 12 -7.191 -7.474 -1.798
106 HG3 ARG 12 1HG ARG 12 -5.543 -6.895 -2.052
107 HD2 ARG 12 2HD ARG 12 -6.300 -9.763 -1.509
108 HD3 ARG 12 1HD ARG 12 -5.990 -9.089 -3.110
109 HE ARG 12 HE ARG 12 -3.765 -8.502 -1.552
110 HH11 ARG 12 1HH1 ARG 12 -5.410 -11.350 -2.762
111 HH12 ARG 12 2HH1 ARG 12 -3.980 -12.322 -2.803
112 HH21 ARG 12 1HH2 ARG 12 -1.870 -9.770 -1.594
113 HH22 ARG 12 2HH2 ARG 12 -1.955 -11.424 -2.135
114 H ARG 13 H ARG 13 -4.277 -4.933 1.656
115 HA ARG 13 HA ARG 13 -5.096 -4.379 4.174
116 HB2 ARG 13 2HB ARG 13 -4.073 -6.213 5.546
117 HB3 ARG 13 1HB ARG 13 -5.550 -6.665 4.718
118 HG2 ARG 13 2HG ARG 13 -3.913 -7.560 2.891
119 HG3 ARG 13 1HG ARG 13 -2.749 -7.545 4.220
120 HD2 ARG 13 2HD ARG 13 -3.870 -9.722 3.984
121 HD3 ARG 13 1HD ARG 13 -4.196 -8.964 5.544
122 HE ARG 13 HE ARG 13 -6.237 -8.216 3.791
123 HH11 ARG 13 1HH1 ARG 13 -5.026 -11.126 5.312
124 HH12 ARG 13 2HH1 ARG 13 -6.572 -11.903 5.363
125 HH21 ARG 13 1HH2 ARG 13 -8.284 -9.228 3.856
126 HH22 ARG 13 2HH2 ARG 13 -8.436 -10.818 4.531
127 H ASP 14 H ASP 14 -3.288 -3.841 5.598
128 HA ASP 14 HA ASP 14 -1.199 -2.583 4.273
129 HB2 ASP 14 2HB ASP 14 -1.395 -3.505 7.146
130 HB3 ASP 14 1HB ASP 14 -0.074 -2.511 6.539
131 H SER 15 H SER 15 -1.225 -5.745 5.860
132 HA SER 15 HA SER 15 1.489 -6.373 5.540
133 HB2 SER 15 2HB SER 15 -0.771 -8.371 5.557
134 HB3 SER 15 1HB SER 15 0.875 -8.586 6.157
135 HG SER 15 HG SER 15 0.374 -6.945 7.732
136 H ASP 16 H ASP 16 -1.083 -6.320 3.266
137 HA ASP 16 HA ASP 16 0.156 -8.155 1.399
138 HB2 ASP 16 2HB ASP 16 -2.261 -8.105 1.536
139 HB3 ASP 16 1HB ASP 16 -2.286 -6.377 1.224
140 H CYS 17 H CYS 17 0.556 -4.980 2.293
141 HA CYS 17 HA CYS 17 1.410 -4.043 -0.329
142 HB2 CYS 17 2HB CYS 17 1.110 -2.687 2.349
143 HB3 CYS 17 1HB CYS 17 1.807 -1.882 0.944
144 HA PRO 18 HA PRO 18 5.634 -5.051 0.390
145 HB2 PRO 18 2HB PRO 18 6.834 -3.314 -1.297
146 HB3 PRO 18 1HB PRO 18 5.940 -4.729 -1.859
147 HG2 PRO 18 2HG PRO 18 5.051 -1.876 -1.697
148 HG3 PRO 18 1HG PRO 18 4.805 -3.052 -3.001
149 HD2 PRO 18 2HD PRO 18 2.882 -2.461 -1.186
150 HD3 PRO 18 1HD PRO 18 3.040 -4.069 -1.920
151 H GLY 19 H GLY 19 7.315 -4.465 1.648
152 HA2 GLY 19 2HA GLY 19 8.540 -3.278 3.178
153 HA3 GLY 19 1HA GLY 19 8.209 -1.873 2.178
154 H GLU 20 H GLU 20 7.521 -0.292 3.430
155 HA GLU 20 HA GLU 20 5.831 -0.885 5.736
156 HB2 GLU 20 2HB GLU 20 7.144 1.694 4.881
157 HB3 GLU 20 1HB GLU 20 6.272 1.439 6.382
158 HG2 GLU 20 2HG GLU 20 7.943 0.035 7.237
159 HG3 GLU 20 1HG GLU 20 8.704 -0.154 5.656
160 H CYS 21 H CYS 21 5.170 -0.539 2.633
161 HA CYS 21 HA CYS 21 3.422 1.663 2.483
162 HB2 CYS 21 2HB CYS 21 3.407 -0.923 0.918
163 HB3 CYS 21 1HB CYS 21 2.436 0.491 0.520
164 H ILE 22 H ILE 22 1.305 1.924 2.917
165 HA ILE 22 HA ILE 22 -0.002 -0.295 4.360
166 HB ILE 22 HB ILE 22 -1.192 1.331 5.682
167 HG12 ILE 22 2HG1 ILE 22 0.313 3.457 4.132
168 HG13 ILE 22 1HG1 ILE 22 -1.398 3.088 3.935
169 HG21 ILE 22 1HG2 ILE 22 1.778 1.714 5.504
170 HG22 ILE 22 2HG2 ILE 22 0.863 0.713 6.628
171 HG23 ILE 22 3HG2 ILE 22 0.805 2.470 6.766
172 HD11 ILE 22 3HD1 ILE 22 -1.976 4.073 5.913
173 HD12 ILE 22 1HD1 ILE 22 -0.607 5.075 5.436
174 HD13 ILE 22 2HD1 ILE 22 -0.391 3.803 6.638
175 H CYS 23 H CYS 23 -2.404 -0.224 4.293
176 HA CYS 23 HA CYS 23 -3.248 0.088 1.550
177 HB2 CYS 23 2HB CYS 23 -3.892 -1.845 3.077
178 HB3 CYS 23 1HB CYS 23 -4.949 -0.716 3.917
179 H LYS 24 H LYS 24 -3.451 2.243 1.031
180 HA LYS 24 HA LYS 24 -4.709 4.056 2.892
181 HB2 LYS 24 2HB LYS 24 -4.326 5.788 1.258
182 HB3 LYS 24 1HB LYS 24 -2.879 4.812 1.411
183 HG2 LYS 24 2HG LYS 24 -3.348 3.696 -0.660
184 HG3 LYS 24 1HG LYS 24 -4.907 4.511 -0.790
185 HD2 LYS 24 2HD LYS 24 -3.366 5.623 -2.245
186 HD3 LYS 24 1HD LYS 24 -3.686 6.686 -0.876
187 HE2 LYS 24 2HE LYS 24 -1.313 4.852 -0.899
188 HE3 LYS 24 1HE LYS 24 -1.259 6.417 -1.704
189 HZ1 LYS 24 3HZ LYS 24 -0.946 7.420 0.234
190 HZ2 LYS 24 1HZ LYS 24 -0.770 5.898 0.959
191 HZ3 LYS 24 2HZ LYS 24 -2.282 6.662 0.936
192 H GLY 25 H GLY 25 -6.641 5.260 2.485
193 HA2 GLY 25 2HA GLY 25 -8.908 3.817 1.994
194 HA3 GLY 25 1HA GLY 25 -8.827 5.562 1.845
195 H ASN 26 H ASN 26 -6.914 5.340 -0.400
196 HA ASN 26 HA ASN 26 -8.695 5.448 -2.563
197 HB2 ASN 26 2HB ASN 26 -6.744 6.666 -2.869
198 HB3 ASN 26 1HB ASN 26 -5.720 5.386 -2.239
199 HD21 ASN 26 1HD2 ASN 26 -4.512 4.455 -3.656
200 HD22 ASN 26 2HD2 ASN 26 -4.837 4.256 -5.337
201 H GLY 27 H GLY 27 -7.167 2.775 -1.033
202 HA2 GLY 27 2HA GLY 27 -7.833 0.538 -1.392
203 HA3 GLY 27 1HA GLY 27 -8.350 0.973 -3.014
204 H TYR 28 H TYR 28 -5.380 2.310 -2.295
205 HA TYR 28 HA TYR 28 -3.956 0.055 -3.524
206 HB2 TYR 28 2HB TYR 28 -3.724 2.985 -4.166
207 HB3 TYR 28 1HB TYR 28 -2.391 1.878 -4.471
208 HD1 TYR 28 1HD TYR 28 -6.072 1.432 -4.957
209 HD2 TYR 28 2HD TYR 28 -2.225 1.665 -6.762
210 HE1 TYR 28 1HE TYR 28 -7.050 0.790 -7.115
211 HE2 TYR 28 2HE TYR 28 -3.197 1.022 -8.918
212 HH TYR 28 HH TYR 28 -5.307 1.012 -10.066
213 H CYS 29 H CYS 29 -1.625 0.166 -3.173
214 HA CYS 29 HA CYS 29 -1.120 0.452 -0.359
215 HB2 CYS 29 2HB CYS 29 0.597 -0.444 -2.673
216 HB3 CYS 29 1HB CYS 29 1.189 -0.366 -1.015
217 H GLY 30 H GLY 30 -0.205 2.081 0.665
218 HA2 GLY 30 2HA GLY 30 1.817 3.741 -0.377
219 HA3 GLY 30 1HA GLY 30 0.265 4.560 -0.530
Start of MODEL 13
1 H1 PCA 1 H PCA 1 4.536 8.576 7.180
2 HA PCA 1 HA PCA 1 6.649 9.080 8.478
3 HB2 PCA 1 1HB PCA 1 6.167 6.992 10.441
4 HB3 PCA 1 2HB PCA 1 6.344 8.734 10.721
5 HG2 PCA 1 1HG PCA 1 3.940 7.162 10.782
6 HG3 PCA 1 2HG PCA 1 4.115 8.913 11.056
7 H ARG 2 H ARG 2 4.929 6.096 7.843
8 HA ARG 2 HA ARG 2 7.203 4.407 7.620
9 HB2 ARG 2 2HB ARG 2 4.385 4.123 6.577
10 HB3 ARG 2 1HB ARG 2 5.606 2.863 6.454
11 HG2 ARG 2 2HG ARG 2 4.588 4.052 9.021
12 HG3 ARG 2 1HG ARG 2 4.082 2.509 8.334
13 HD2 ARG 2 2HD ARG 2 6.374 1.679 8.509
14 HD3 ARG 2 1HD ARG 2 6.887 3.227 9.182
15 HE ARG 2 HE ARG 2 4.809 2.236 10.761
16 HH11 ARG 2 1HH1 ARG 2 8.112 1.387 9.924
17 HH12 ARG 2 2HH1 ARG 2 8.432 0.652 11.468
18 HH21 ARG 2 1HH2 ARG 2 5.242 1.253 12.788
19 HH22 ARG 2 2HH2 ARG 2 6.804 0.573 13.091
20 H ALA 3 H ALA 3 8.405 3.830 5.877
21 HA ALA 3 HA ALA 3 8.354 5.647 3.631
22 HB1 ALA 3 1HB ALA 3 10.346 4.434 2.875
23 HB2 ALA 3 2HB ALA 3 10.138 3.288 4.201
24 HB3 ALA 3 3HB ALA 3 10.491 4.983 4.545
25 H CYS 4 H CYS 4 7.636 5.274 1.629
26 HA CYS 4 HA CYS 4 7.104 2.607 0.682
27 HB2 CYS 4 2HB CYS 4 5.048 3.031 1.939
28 HB3 CYS 4 1HB CYS 4 4.825 4.560 1.096
29 HA PRO 5 HA PRO 5 8.239 4.821 -3.001
30 HB2 PRO 5 2HB PRO 5 7.901 2.789 -4.759
31 HB3 PRO 5 1HB PRO 5 9.279 2.869 -3.656
32 HG2 PRO 5 2HG PRO 5 6.754 1.283 -3.420
33 HG3 PRO 5 1HG PRO 5 8.420 0.794 -3.063
34 HD2 PRO 5 2HD PRO 5 6.647 1.539 -1.140
35 HD3 PRO 5 1HD PRO 5 8.398 1.786 -0.990
36 H ARG 6 H ARG 6 7.207 5.718 -4.827
37 HA ARG 6 HA ARG 6 4.366 5.924 -4.617
38 HB2 ARG 6 2HB ARG 6 5.826 7.823 -5.282
39 HB3 ARG 6 1HB ARG 6 6.186 6.990 -6.787
40 HG2 ARG 6 2HG ARG 6 4.489 8.748 -7.049
41 HG3 ARG 6 1HG ARG 6 3.880 7.147 -7.477
42 HD2 ARG 6 2HD ARG 6 2.828 6.978 -5.257
43 HD3 ARG 6 1HD ARG 6 3.407 8.597 -4.872
44 HE ARG 6 HE ARG 6 1.119 7.913 -6.430
45 HH11 ARG 6 1HH1 ARG 6 3.600 10.349 -6.014
46 HH12 ARG 6 2HH1 ARG 6 2.679 11.604 -6.769
47 HH21 ARG 6 1HH2 ARG 6 -0.105 9.570 -7.431
48 HH22 ARG 6 2HH2 ARG 6 0.563 11.161 -7.576
49 H ILE 7 H ILE 7 4.251 3.499 -4.880
50 HA ILE 7 HA ILE 7 4.073 2.730 -7.713
51 HB ILE 7 HB ILE 7 5.490 1.307 -6.220
52 HG12 ILE 7 2HG1 ILE 7 4.549 -0.849 -6.970
53 HG13 ILE 7 1HG1 ILE 7 3.040 -0.058 -7.361
54 HG21 ILE 7 1HG2 ILE 7 2.866 0.612 -4.905
55 HG22 ILE 7 2HG2 ILE 7 4.186 1.527 -4.172
56 HG23 ILE 7 3HG2 ILE 7 4.417 -0.170 -4.599
57 HD11 ILE 7 3HD1 ILE 7 5.562 0.907 -8.614
58 HD12 ILE 7 1HD1 ILE 7 3.907 0.964 -9.223
59 HD13 ILE 7 2HD1 ILE 7 4.792 -0.562 -9.214
60 H LEU 8 H LEU 8 2.207 1.232 -8.206
61 HA LEU 8 HA LEU 8 -0.170 1.961 -6.640
62 HB2 LEU 8 2HB LEU 8 0.170 2.014 -9.631
63 HB3 LEU 8 1HB LEU 8 -1.407 1.972 -8.863
64 HG LEU 8 HG LEU 8 0.602 4.113 -8.247
65 HD11 LEU 8 1HD1 LEU 8 -0.543 3.720 -10.741
66 HD12 LEU 8 2HD1 LEU 8 0.167 5.215 -10.136
67 HD13 LEU 8 3HD1 LEU 8 -1.567 4.935 -9.976
68 HD21 LEU 8 3HD2 LEU 8 -1.616 5.330 -7.779
69 HD22 LEU 8 1HD2 LEU 8 -1.032 4.146 -6.610
70 HD23 LEU 8 2HD2 LEU 8 -2.312 3.710 -7.741
71 H LYS 9 H LYS 9 -0.674 0.133 -5.682
72 HA LYS 9 HA LYS 9 -1.362 -2.169 -7.322
73 HB2 LYS 9 2HB LYS 9 0.848 -2.806 -6.772
74 HB3 LYS 9 1HB LYS 9 0.729 -2.147 -5.150
75 HG2 LYS 9 2HG LYS 9 -1.057 -4.415 -5.832
76 HG3 LYS 9 1HG LYS 9 0.667 -4.749 -5.640
77 HD2 LYS 9 2HD LYS 9 0.462 -3.395 -3.459
78 HD3 LYS 9 1HD LYS 9 -1.273 -3.634 -3.644
79 HE2 LYS 9 2HE LYS 9 0.716 -5.890 -3.625
80 HE3 LYS 9 1HE LYS 9 -0.079 -5.286 -2.173
81 HZ1 LYS 9 3HZ LYS 9 -1.448 -6.983 -2.746
82 HZ2 LYS 9 1HZ LYS 9 -1.208 -6.788 -4.414
83 HZ3 LYS 9 2HZ LYS 9 -2.211 -5.711 -3.576
84 H LYS 10 H LYS 10 -3.272 -2.998 -6.643
85 HA LYS 10 HA LYS 10 -4.642 -1.744 -4.505
86 HB2 LYS 10 2HB LYS 10 -5.285 -4.020 -6.325
87 HB3 LYS 10 1HB LYS 10 -6.258 -3.786 -4.880
88 HG2 LYS 10 2HG LYS 10 -6.339 -1.304 -5.779
89 HG3 LYS 10 1HG LYS 10 -6.049 -2.111 -7.317
90 HD2 LYS 10 2HD LYS 10 -8.310 -2.257 -7.324
91 HD3 LYS 10 1HD LYS 10 -7.993 -3.687 -6.341
92 HE2 LYS 10 2HE LYS 10 -8.676 -0.923 -5.339
93 HE3 LYS 10 1HE LYS 10 -9.725 -2.338 -5.313
94 HZ1 LYS 10 3HZ LYS 10 -8.883 -2.219 -3.169
95 HZ2 LYS 10 1HZ LYS 10 -7.326 -1.787 -3.675
96 HZ3 LYS 10 2HZ LYS 10 -7.881 -3.373 -3.891
97 H CYS 11 H CYS 11 -4.832 -2.222 -2.467
98 HA CYS 11 HA CYS 11 -3.514 -4.651 -1.475
99 HB2 CYS 11 2HB CYS 11 -3.392 -3.327 0.680
100 HB3 CYS 11 1HB CYS 11 -2.422 -2.704 -0.652
101 H ARG 12 H ARG 12 -4.463 -5.852 0.149
102 HA ARG 12 HA ARG 12 -7.350 -5.401 0.549
103 HB2 ARG 12 2HB ARG 12 -7.682 -7.741 0.651
104 HB3 ARG 12 1HB ARG 12 -6.584 -7.512 -0.700
105 HG2 ARG 12 2HG ARG 12 -4.743 -7.932 1.105
106 HG3 ARG 12 1HG ARG 12 -6.070 -8.698 1.981
107 HD2 ARG 12 2HD ARG 12 -5.148 -10.460 0.785
108 HD3 ARG 12 1HD ARG 12 -6.501 -9.957 -0.230
109 HE ARG 12 HE ARG 12 -4.188 -8.549 -1.015
110 HH11 ARG 12 1HH1 ARG 12 -5.578 -11.767 -1.154
111 HH12 ARG 12 2HH1 ARG 12 -4.636 -12.251 -2.523
112 HH21 ARG 12 1HH2 ARG 12 -2.929 -9.188 -2.781
113 HH22 ARG 12 2HH2 ARG 12 -3.119 -10.773 -3.459
114 H ARG 13 H ARG 13 -4.496 -4.934 1.839
115 HA ARG 13 HA ARG 13 -5.164 -4.265 4.393
116 HB2 ARG 13 2HB ARG 13 -4.054 -6.096 5.720
117 HB3 ARG 13 1HB ARG 13 -5.613 -6.521 5.038
118 HG2 ARG 13 2HG ARG 13 -4.385 -7.655 3.172
119 HG3 ARG 13 1HG ARG 13 -2.892 -7.364 4.071
120 HD2 ARG 13 2HD ARG 13 -3.805 -9.619 4.465
121 HD3 ARG 13 1HD ARG 13 -3.727 -8.655 5.940
122 HE ARG 13 HE ARG 13 -6.269 -8.352 4.772
123 HH11 ARG 13 1HH1 ARG 13 -4.343 -10.757 6.437
124 HH12 ARG 13 2HH1 ARG 13 -5.711 -11.585 7.101
125 HH21 ARG 13 1HH2 ARG 13 -8.083 -9.439 5.648
126 HH22 ARG 13 2HH2 ARG 13 -7.847 -10.832 6.649
127 H ASP 14 H ASP 14 -3.201 -3.834 5.725
128 HA ASP 14 HA ASP 14 -1.187 -2.646 4.194
129 HB2 ASP 14 2HB ASP 14 -1.165 -3.452 7.108
130 HB3 ASP 14 1HB ASP 14 0.076 -2.459 6.350
131 H SER 15 H SER 15 -1.388 -5.819 5.653
132 HA SER 15 HA SER 15 1.284 -6.633 5.366
133 HB2 SER 15 2HB SER 15 -1.011 -8.541 5.063
134 HB3 SER 15 1HB SER 15 0.511 -8.760 5.928
135 HG SER 15 HG SER 15 -0.251 -7.210 7.459
136 H ASP 16 H ASP 16 -1.301 -6.311 3.101
137 HA ASP 16 HA ASP 16 -0.218 -8.014 1.046
138 HB2 ASP 16 2HB ASP 16 -2.660 -7.425 1.362
139 HB3 ASP 16 1HB ASP 16 -2.279 -5.805 0.807
140 H CYS 17 H CYS 17 0.310 -4.853 2.184
141 HA CYS 17 HA CYS 17 1.421 -3.845 -0.295
142 HB2 CYS 17 2HB CYS 17 1.026 -2.655 2.444
143 HB3 CYS 17 1HB CYS 17 1.868 -1.804 1.153
144 HA PRO 18 HA PRO 18 5.536 -5.143 0.634
145 HB2 PRO 18 2HB PRO 18 6.862 -3.605 -1.151
146 HB3 PRO 18 1HB PRO 18 5.891 -5.001 -1.630
147 HG2 PRO 18 2HG PRO 18 5.193 -2.091 -1.699
148 HG3 PRO 18 1HG PRO 18 4.874 -3.347 -2.909
149 HD2 PRO 18 2HD PRO 18 2.995 -2.467 -1.149
150 HD3 PRO 18 1HD PRO 18 3.014 -4.115 -1.802
151 H GLY 19 H GLY 19 7.294 -4.527 1.824
152 HA2 GLY 19 2HA GLY 19 8.564 -3.280 3.269
153 HA3 GLY 19 1HA GLY 19 8.216 -1.911 2.223
154 H GLU 20 H GLU 20 7.587 -0.283 3.483
155 HA GLU 20 HA GLU 20 5.835 -0.860 5.755
156 HB2 GLU 20 2HB GLU 20 7.302 1.680 5.034
157 HB3 GLU 20 1HB GLU 20 6.341 1.432 6.483
158 HG2 GLU 20 2HG GLU 20 7.918 -0.404 7.108
159 HG3 GLU 20 1HG GLU 20 8.932 0.101 5.752
160 H CYS 21 H CYS 21 5.130 -0.630 2.756
161 HA CYS 21 HA CYS 21 3.551 1.708 2.482
162 HB2 CYS 21 2HB CYS 21 3.447 -0.954 1.061
163 HB3 CYS 21 1HB CYS 21 2.434 0.419 0.620
164 H ILE 22 H ILE 22 1.433 2.102 2.921
165 HA ILE 22 HA ILE 22 0.047 0.015 4.480
166 HB ILE 22 HB ILE 22 -1.209 1.848 5.571
167 HG12 ILE 22 2HG1 ILE 22 0.788 3.659 4.186
168 HG13 ILE 22 1HG1 ILE 22 -0.923 3.541 3.782
169 HG21 ILE 22 1HG2 ILE 22 0.358 2.114 7.202
170 HG22 ILE 22 2HG2 ILE 22 1.639 2.527 6.063
171 HG23 ILE 22 3HG2 ILE 22 1.148 0.845 6.267
172 HD11 ILE 22 3HD1 ILE 22 -0.997 4.081 6.459
173 HD12 ILE 22 1HD1 ILE 22 -1.169 5.268 5.166
174 HD13 ILE 22 2HD1 ILE 22 0.404 5.007 5.920
175 H CYS 23 H CYS 23 -2.252 -0.122 4.257
176 HA CYS 23 HA CYS 23 -3.058 0.219 1.509
177 HB2 CYS 23 2HB CYS 23 -3.631 -1.732 3.127
178 HB3 CYS 23 1HB CYS 23 -4.880 -0.654 3.740
179 H LYS 24 H LYS 24 -3.370 2.336 0.994
180 HA LYS 24 HA LYS 24 -4.691 4.130 2.809
181 HB2 LYS 24 2HB LYS 24 -4.432 5.813 1.104
182 HB3 LYS 24 1HB LYS 24 -2.947 4.894 1.223
183 HG2 LYS 24 2HG LYS 24 -3.534 3.650 -0.776
184 HG3 LYS 24 1HG LYS 24 -5.059 4.528 -0.887
185 HD2 LYS 24 2HD LYS 24 -3.498 5.509 -2.427
186 HD3 LYS 24 1HD LYS 24 -3.764 6.641 -1.101
187 HE2 LYS 24 2HE LYS 24 -1.459 4.727 -1.041
188 HE3 LYS 24 1HE LYS 24 -1.352 6.228 -1.955
189 HZ1 LYS 24 3HZ LYS 24 -2.306 6.544 0.751
190 HZ2 LYS 24 1HZ LYS 24 -1.139 7.426 -0.093
191 HZ3 LYS 24 2HZ LYS 24 -0.720 5.964 0.649
192 H GLY 25 H GLY 25 -6.695 5.251 2.384
193 HA2 GLY 25 2HA GLY 25 -8.904 3.681 2.066
194 HA3 GLY 25 1HA GLY 25 -8.911 5.412 1.796
195 H ASN 26 H ASN 26 -7.101 5.200 -0.496
196 HA ASN 26 HA ASN 26 -8.974 5.001 -2.581
197 HB2 ASN 26 2HB ASN 26 -7.195 6.388 -3.077
198 HB3 ASN 26 1HB ASN 26 -6.009 5.305 -2.371
199 HD21 ASN 26 1HD2 ASN 26 -4.673 4.561 -3.782
200 HD22 ASN 26 2HD2 ASN 26 -5.012 4.122 -5.414
201 H GLY 27 H GLY 27 -7.205 2.587 -0.934
202 HA2 GLY 27 2HA GLY 27 -7.610 0.287 -1.126
203 HA3 GLY 27 1HA GLY 27 -8.283 0.556 -2.728
204 H TYR 28 H TYR 28 -5.392 2.171 -2.206
205 HA TYR 28 HA TYR 28 -3.858 0.055 -3.547
206 HB2 TYR 28 2HB TYR 28 -3.930 3.003 -4.075
207 HB3 TYR 28 1HB TYR 28 -2.455 2.104 -4.384
208 HD1 TYR 28 1HD TYR 28 -6.019 1.147 -4.962
209 HD2 TYR 28 2HD TYR 28 -2.224 2.028 -6.695
210 HE1 TYR 28 1HE TYR 28 -6.878 0.493 -7.166
211 HE2 TYR 28 2HE TYR 28 -3.085 1.363 -8.896
212 HH TYR 28 HH TYR 28 -5.808 1.299 -9.875
213 H CYS 29 H CYS 29 -1.559 0.225 -3.217
214 HA CYS 29 HA CYS 29 -0.973 0.545 -0.416
215 HB2 CYS 29 2HB CYS 29 0.599 -0.431 -2.795
216 HB3 CYS 29 1HB CYS 29 1.325 -0.269 -1.192
217 H GLY 30 H GLY 30 -0.136 2.253 0.524
218 HA2 GLY 30 2HA GLY 30 1.902 3.856 -0.593
219 HA3 GLY 30 1HA GLY 30 0.350 4.672 -0.772
Start of MODEL 14
1 H1 PCA 1 H PCA 1 2.298 7.526 7.591
2 HA PCA 1 HA PCA 1 4.141 9.011 8.294
3 HB2 PCA 1 1HB PCA 1 4.976 7.533 10.619
4 HB3 PCA 1 2HB PCA 1 4.169 9.113 10.591
5 HG2 PCA 1 1HG PCA 1 3.073 6.594 11.406
6 HG3 PCA 1 2HG PCA 1 2.239 8.165 11.302
7 H ARG 2 H ARG 2 3.704 5.735 7.808
8 HA ARG 2 HA ARG 2 6.364 4.761 7.839
9 HB2 ARG 2 2HB ARG 2 3.718 3.793 6.899
10 HB3 ARG 2 1HB ARG 2 5.138 3.043 6.185
11 HG2 ARG 2 2HG ARG 2 4.308 1.770 8.084
12 HG3 ARG 2 1HG ARG 2 5.929 2.388 8.381
13 HD2 ARG 2 2HD ARG 2 4.520 2.607 10.358
14 HD3 ARG 2 1HD ARG 2 5.017 4.182 9.747
15 HE ARG 2 HE ARG 2 2.814 4.698 9.583
16 HH11 ARG 2 1HH1 ARG 2 3.054 1.212 9.229
17 HH12 ARG 2 2HH1 ARG 2 1.341 0.992 9.078
18 HH21 ARG 2 1HH2 ARG 2 0.593 4.423 9.406
19 HH22 ARG 2 2HH2 ARG 2 -0.071 2.827 9.183
20 H ALA 3 H ALA 3 7.754 4.325 6.128
21 HA ALA 3 HA ALA 3 7.597 6.222 3.943
22 HB1 ALA 3 1HB ALA 3 9.677 4.154 4.645
23 HB2 ALA 3 2HB ALA 3 9.740 5.881 4.997
24 HB3 ALA 3 3HB ALA 3 9.814 5.318 3.327
25 H CYS 4 H CYS 4 7.223 5.744 1.805
26 HA CYS 4 HA CYS 4 7.109 3.015 0.904
27 HB2 CYS 4 2HB CYS 4 4.924 3.205 1.990
28 HB3 CYS 4 1HB CYS 4 4.564 4.646 1.045
29 HA PRO 5 HA PRO 5 8.218 5.234 -2.783
30 HB2 PRO 5 2HB PRO 5 8.315 3.102 -4.449
31 HB3 PRO 5 1HB PRO 5 9.572 3.418 -3.247
32 HG2 PRO 5 2HG PRO 5 7.272 1.508 -3.127
33 HG3 PRO 5 1HG PRO 5 8.955 1.268 -2.621
34 HD2 PRO 5 2HD PRO 5 6.944 1.837 -0.877
35 HD3 PRO 5 1HD PRO 5 8.630 2.323 -0.606
36 H ARG 6 H ARG 6 7.197 5.857 -4.757
37 HA ARG 6 HA ARG 6 4.357 5.700 -4.675
38 HB2 ARG 6 2HB ARG 6 6.269 6.848 -6.705
39 HB3 ARG 6 1HB ARG 6 4.528 6.861 -6.946
40 HG2 ARG 6 2HG ARG 6 5.028 8.966 -6.066
41 HG3 ARG 6 1HG ARG 6 4.383 8.053 -4.701
42 HD2 ARG 6 2HD ARG 6 6.801 7.512 -4.122
43 HD3 ARG 6 1HD ARG 6 7.250 8.750 -5.292
44 HE ARG 6 HE ARG 6 6.628 10.357 -3.791
45 HH11 ARG 6 1HH1 ARG 6 5.364 7.269 -2.714
46 HH12 ARG 6 2HH1 ARG 6 4.775 7.886 -1.208
47 HH21 ARG 6 1HH2 ARG 6 5.838 11.180 -1.801
48 HH22 ARG 6 2HH2 ARG 6 5.035 10.118 -0.693
49 H ILE 7 H ILE 7 3.233 4.005 -5.233
50 HA ILE 7 HA ILE 7 3.766 2.628 -7.729
51 HB ILE 7 HB ILE 7 5.092 1.422 -5.952
52 HG12 ILE 7 2HG1 ILE 7 2.826 -0.167 -7.178
53 HG13 ILE 7 1HG1 ILE 7 4.301 0.300 -8.017
54 HG21 ILE 7 1HG2 ILE 7 3.840 0.016 -4.359
55 HG22 ILE 7 2HG2 ILE 7 2.349 0.810 -4.867
56 HG23 ILE 7 3HG2 ILE 7 3.616 1.743 -4.068
57 HD11 ILE 7 3HD1 ILE 7 3.810 -1.994 -6.434
58 HD12 ILE 7 1HD1 ILE 7 5.042 -1.026 -5.626
59 HD13 ILE 7 2HD1 ILE 7 5.282 -1.542 -7.296
60 H LEU 8 H LEU 8 1.931 1.289 -8.374
61 HA LEU 8 HA LEU 8 -0.539 2.044 -6.973
62 HB2 LEU 8 2HB LEU 8 0.032 1.931 -9.922
63 HB3 LEU 8 1HB LEU 8 -1.602 1.925 -9.286
64 HG LEU 8 HG LEU 8 0.327 4.094 -8.546
65 HD11 LEU 8 1HD1 LEU 8 -0.606 5.446 -10.370
66 HD12 LEU 8 2HD1 LEU 8 -1.485 4.032 -10.956
67 HD13 LEU 8 3HD1 LEU 8 0.278 4.048 -10.978
68 HD21 LEU 8 3HD2 LEU 8 -2.123 5.206 -8.674
69 HD22 LEU 8 1HD2 LEU 8 -1.433 4.495 -7.216
70 HD23 LEU 8 2HD2 LEU 8 -2.538 3.555 -8.218
71 H LYS 9 H LYS 9 -0.464 0.095 -5.817
72 HA LYS 9 HA LYS 9 -1.386 -2.212 -7.391
73 HB2 LYS 9 2HB LYS 9 0.821 -2.834 -6.809
74 HB3 LYS 9 1HB LYS 9 0.690 -2.128 -5.208
75 HG2 LYS 9 2HG LYS 9 -1.137 -4.377 -5.802
76 HG3 LYS 9 1HG LYS 9 0.583 -4.759 -5.670
77 HD2 LYS 9 2HD LYS 9 0.541 -3.423 -3.502
78 HD3 LYS 9 1HD LYS 9 -1.214 -3.497 -3.621
79 HE2 LYS 9 2HE LYS 9 0.533 -5.947 -3.657
80 HE3 LYS 9 1HE LYS 9 -0.094 -5.244 -2.170
81 HZ1 LYS 9 3HZ LYS 9 -1.402 -6.917 -4.052
82 HZ2 LYS 9 1HZ LYS 9 -2.275 -5.486 -3.809
83 HZ3 LYS 9 2HZ LYS 9 -1.883 -6.474 -2.487
84 H LYS 10 H LYS 10 -3.341 -2.912 -6.734
85 HA LYS 10 HA LYS 10 -4.696 -1.607 -4.634
86 HB2 LYS 10 2HB LYS 10 -5.336 -3.929 -6.387
87 HB3 LYS 10 1HB LYS 10 -6.287 -3.709 -4.924
88 HG2 LYS 10 2HG LYS 10 -6.461 -1.240 -5.828
89 HG3 LYS 10 1HG LYS 10 -6.153 -2.033 -7.371
90 HD2 LYS 10 2HD LYS 10 -8.390 -2.308 -7.392
91 HD3 LYS 10 1HD LYS 10 -8.041 -3.671 -6.327
92 HE2 LYS 10 2HE LYS 10 -8.809 -0.876 -5.485
93 HE3 LYS 10 1HE LYS 10 -9.825 -2.312 -5.398
94 HZ1 LYS 10 3HZ LYS 10 -8.019 -3.235 -3.886
95 HZ2 LYS 10 1HZ LYS 10 -9.005 -2.018 -3.249
96 HZ3 LYS 10 2HZ LYS 10 -7.439 -1.648 -3.775
97 H CYS 11 H CYS 11 -4.671 -1.921 -2.567
98 HA CYS 11 HA CYS 11 -3.245 -4.210 -1.488
99 HB2 CYS 11 2HB CYS 11 -3.462 -2.911 0.661
100 HB3 CYS 11 1HB CYS 11 -2.550 -2.113 -0.615
101 H ARG 12 H ARG 12 -4.060 -5.663 -0.097
102 HA ARG 12 HA ARG 12 -6.992 -5.758 0.173
103 HB2 ARG 12 2HB ARG 12 -4.929 -7.969 0.393
104 HB3 ARG 12 1HB ARG 12 -6.663 -8.180 0.598
105 HG2 ARG 12 2HG ARG 12 -7.072 -7.653 -1.692
106 HG3 ARG 12 1HG ARG 12 -5.392 -7.171 -1.935
107 HD2 ARG 12 2HD ARG 12 -6.297 -9.950 -1.190
108 HD3 ARG 12 1HD ARG 12 -5.912 -9.425 -2.829
109 HE ARG 12 HE ARG 12 -3.714 -8.827 -1.215
110 HH11 ARG 12 1HH1 ARG 12 -5.415 -11.664 -2.367
111 HH12 ARG 12 2HH1 ARG 12 -4.012 -12.677 -2.326
112 HH21 ARG 12 1HH2 ARG 12 -1.874 -10.130 -1.152
113 HH22 ARG 12 2HH2 ARG 12 -1.980 -11.803 -1.633
114 H ARG 13 H ARG 13 -4.182 -5.030 1.711
115 HA ARG 13 HA ARG 13 -5.179 -4.429 4.203
116 HB2 ARG 13 2HB ARG 13 -4.059 -6.155 5.605
117 HB3 ARG 13 1HB ARG 13 -5.436 -6.766 4.701
118 HG2 ARG 13 2HG ARG 13 -3.987 -7.770 3.080
119 HG3 ARG 13 1HG ARG 13 -2.576 -7.035 3.837
120 HD2 ARG 13 2HD ARG 13 -3.346 -8.325 5.944
121 HD3 ARG 13 1HD ARG 13 -4.277 -9.295 4.795
122 HE ARG 13 HE ARG 13 -1.652 -9.000 3.868
123 HH11 ARG 13 1HH1 ARG 13 -3.465 -10.688 6.338
124 HH12 ARG 13 2HH1 ARG 13 -2.308 -11.965 6.506
125 HH21 ARG 13 1HH2 ARG 13 -0.105 -10.684 4.090
126 HH22 ARG 13 2HH2 ARG 13 -0.389 -11.961 5.227
127 H ASP 14 H ASP 14 -3.339 -3.894 5.738
128 HA ASP 14 HA ASP 14 -1.343 -2.471 4.351
129 HB2 ASP 14 2HB ASP 14 -1.408 -3.338 7.249
130 HB3 ASP 14 1HB ASP 14 -0.276 -2.168 6.576
131 H SER 15 H SER 15 -1.295 -5.587 5.984
132 HA SER 15 HA SER 15 1.461 -6.114 5.573
133 HB2 SER 15 2HB SER 15 0.232 -7.253 7.328
134 HB3 SER 15 1HB SER 15 -0.860 -7.971 6.147
135 HG SER 15 HG SER 15 1.745 -8.505 5.576
136 H ASP 16 H ASP 16 -1.011 -5.887 3.371
137 HA ASP 16 HA ASP 16 -0.032 -7.979 1.575
138 HB2 ASP 16 2HB ASP 16 -2.468 -7.622 1.798
139 HB3 ASP 16 1HB ASP 16 -2.276 -5.967 1.238
140 H CYS 17 H CYS 17 0.508 -4.770 2.349
141 HA CYS 17 HA CYS 17 1.407 -3.941 -0.283
142 HB2 CYS 17 2HB CYS 17 1.213 -2.544 2.384
143 HB3 CYS 17 1HB CYS 17 1.944 -1.796 0.970
144 HA PRO 18 HA PRO 18 5.604 -5.144 0.317
145 HB2 PRO 18 2HB PRO 18 6.844 -3.281 -1.244
146 HB3 PRO 18 1HB PRO 18 5.996 -4.692 -1.887
147 HG2 PRO 18 2HG PRO 18 5.048 -1.865 -1.634
148 HG3 PRO 18 1HG PRO 18 4.831 -3.003 -2.977
149 HD2 PRO 18 2HD PRO 18 2.871 -2.501 -1.196
150 HD3 PRO 18 1HD PRO 18 3.087 -4.102 -1.929
151 H GLY 19 H GLY 19 7.353 -4.665 1.570
152 HA2 GLY 19 2HA GLY 19 8.600 -3.606 3.177
153 HA3 GLY 19 1HA GLY 19 8.240 -2.116 2.314
154 H GLU 20 H GLU 20 7.487 -0.657 3.678
155 HA GLU 20 HA GLU 20 5.653 -1.541 5.793
156 HB2 GLU 20 2HB GLU 20 6.266 0.725 6.828
157 HB3 GLU 20 1HB GLU 20 7.489 -0.538 6.856
158 HG2 GLU 20 2HG GLU 20 8.628 0.468 4.983
159 HG3 GLU 20 1HG GLU 20 7.358 1.679 4.827
160 H CYS 21 H CYS 21 5.093 -0.852 2.910
161 HA CYS 21 HA CYS 21 3.718 1.625 2.818
162 HB2 CYS 21 2HB CYS 21 3.441 -0.881 1.156
163 HB3 CYS 21 1HB CYS 21 2.575 0.611 0.809
164 H ILE 22 H ILE 22 1.447 2.037 2.888
165 HA ILE 22 HA ILE 22 -0.019 0.018 4.459
166 HB ILE 22 HB ILE 22 -1.303 1.843 5.481
167 HG12 ILE 22 2HG1 ILE 22 0.658 3.675 4.076
168 HG13 ILE 22 1HG1 ILE 22 -1.041 3.497 3.655
169 HG21 ILE 22 1HG2 ILE 22 0.813 2.901 6.658
170 HG22 ILE 22 2HG2 ILE 22 1.642 1.617 5.779
171 HG23 ILE 22 3HG2 ILE 22 0.353 1.218 6.914
172 HD11 ILE 22 3HD1 ILE 22 -0.128 4.394 6.369
173 HD12 ILE 22 1HD1 ILE 22 -1.741 4.505 5.667
174 HD13 ILE 22 2HD1 ILE 22 -0.435 5.508 5.038
175 H CYS 23 H CYS 23 -2.325 -0.010 4.233
176 HA CYS 23 HA CYS 23 -3.086 0.220 1.448
177 HB2 CYS 23 2HB CYS 23 -3.680 -1.732 2.965
178 HB3 CYS 23 1HB CYS 23 -4.818 -0.658 3.766
179 H LYS 24 H LYS 24 -3.339 2.351 0.919
180 HA LYS 24 HA LYS 24 -4.626 4.215 2.658
181 HB2 LYS 24 2HB LYS 24 -4.386 5.815 0.895
182 HB3 LYS 24 1HB LYS 24 -2.933 4.839 0.932
183 HG2 LYS 24 2HG LYS 24 -3.777 3.538 -0.967
184 HG3 LYS 24 1HG LYS 24 -5.206 4.569 -1.020
185 HD2 LYS 24 2HD LYS 24 -3.596 5.281 -2.691
186 HD3 LYS 24 1HD LYS 24 -3.766 6.518 -1.445
187 HE2 LYS 24 2HE LYS 24 -1.598 4.467 -1.226
188 HE3 LYS 24 1HE LYS 24 -1.398 5.841 -2.313
189 HZ1 LYS 24 3HZ LYS 24 -0.792 5.817 0.337
190 HZ2 LYS 24 1HZ LYS 24 -2.301 6.590 0.312
191 HZ3 LYS 24 2HZ LYS 24 -1.023 7.205 -0.603
192 H GLY 25 H GLY 25 -6.650 5.282 2.327
193 HA2 GLY 25 2HA GLY 25 -8.868 3.708 2.125
194 HA3 GLY 25 1HA GLY 25 -8.892 5.435 1.831
195 H ASN 26 H ASN 26 -7.214 5.238 -0.535
196 HA ASN 26 HA ASN 26 -9.176 4.973 -2.526
197 HB2 ASN 26 2HB ASN 26 -7.488 6.376 -3.190
198 HB3 ASN 26 1HB ASN 26 -6.236 5.411 -2.426
199 HD21 ASN 26 1HD2 ASN 26 -4.898 4.515 -3.757
200 HD22 ASN 26 2HD2 ASN 26 -5.217 4.005 -5.372
201 H GLY 27 H GLY 27 -7.227 2.633 -0.966
202 HA2 GLY 27 2HA GLY 27 -7.604 0.319 -1.103
203 HA3 GLY 27 1HA GLY 27 -8.346 0.551 -2.680
204 H TYR 28 H TYR 28 -5.395 2.157 -2.128
205 HA TYR 28 HA TYR 28 -3.916 0.070 -3.576
206 HB2 TYR 28 2HB TYR 28 -3.973 3.028 -4.073
207 HB3 TYR 28 1HB TYR 28 -2.517 2.109 -4.432
208 HD1 TYR 28 2HD TYR 28 -6.101 1.175 -4.926
209 HD2 TYR 28 1HD TYR 28 -2.359 2.085 -6.747
210 HE1 TYR 28 2HE TYR 28 -7.020 0.556 -7.112
211 HE2 TYR 28 1HE TYR 28 -3.280 1.459 -8.933
212 HH TYR 28 HH TYR 28 -5.847 1.413 -9.915
213 H CYS 29 H CYS 29 -1.613 0.192 -3.272
214 HA CYS 29 HA CYS 29 -0.990 0.540 -0.474
215 HB2 CYS 29 2HB CYS 29 0.538 -0.517 -2.845
216 HB3 CYS 29 1HB CYS 29 1.288 -0.324 -1.257
217 H GLY 30 H GLY 30 -0.104 2.239 0.429
218 HA2 GLY 30 2HA GLY 30 1.983 3.758 -0.655
219 HA3 GLY 30 1HA GLY 30 0.471 4.601 -0.976
Start of MODEL 15
1 H1 PCA 1 H PCA 1 1.939 6.412 9.215
2 HA PCA 1 HA PCA 1 3.809 7.993 9.563
3 HB2 PCA 1 1HB PCA 1 5.246 6.423 11.516
4 HB3 PCA 1 2HB PCA 1 4.425 7.974 11.777
5 HG2 PCA 1 1HG PCA 1 3.615 5.395 12.703
6 HG3 PCA 1 2HG PCA 1 2.734 6.936 12.865
7 H ARG 2 H ARG 2 3.417 4.750 8.900
8 HA ARG 2 HA ARG 2 6.014 3.857 8.322
9 HB2 ARG 2 2HB ARG 2 3.340 3.018 7.186
10 HB3 ARG 2 1HB ARG 2 4.848 2.180 6.854
11 HG2 ARG 2 2HG ARG 2 4.072 0.898 8.560
12 HG3 ARG 2 1HG ARG 2 4.975 2.092 9.489
13 HD2 ARG 2 2HD ARG 2 2.949 1.977 10.619
14 HD3 ARG 2 1HD ARG 2 2.740 3.383 9.578
15 HE ARG 2 HE ARG 2 1.794 1.107 8.228
16 HH11 ARG 2 1HH1 ARG 2 0.927 3.249 10.878
17 HH12 ARG 2 2HH1 ARG 2 -0.753 2.816 10.828
18 HH21 ARG 2 1HH2 ARG 2 -0.439 0.572 8.136
19 HH22 ARG 2 2HH2 ARG 2 -1.525 1.313 9.276
20 H ALA 3 H ALA 3 7.280 3.971 6.535
21 HA ALA 3 HA ALA 3 6.666 6.071 4.640
22 HB1 ALA 3 1HB ALA 3 9.002 5.440 3.794
23 HB2 ALA 3 2HB ALA 3 9.088 4.410 5.225
24 HB3 ALA 3 3HB ALA 3 8.865 6.152 5.403
25 H CYS 4 H CYS 4 6.443 5.857 2.436
26 HA CYS 4 HA CYS 4 6.712 3.315 1.132
27 HB2 CYS 4 2HB CYS 4 4.483 3.063 2.170
28 HB3 CYS 4 1HB CYS 4 3.953 4.540 1.371
29 HA PRO 5 HA PRO 5 7.453 6.268 -2.108
30 HB2 PRO 5 2HB PRO 5 8.004 4.546 -4.085
31 HB3 PRO 5 1HB PRO 5 9.108 4.762 -2.722
32 HG2 PRO 5 2HG PRO 5 7.111 2.591 -3.219
33 HG3 PRO 5 1HG PRO 5 8.765 2.469 -2.592
34 HD2 PRO 5 2HD PRO 5 6.516 2.442 -1.016
35 HD3 PRO 5 1HD PRO 5 8.116 2.959 -0.455
36 H ARG 6 H ARG 6 6.862 5.293 -4.809
37 HA ARG 6 HA ARG 6 3.943 5.640 -4.751
38 HB2 ARG 6 2HB ARG 6 5.943 6.448 -6.867
39 HB3 ARG 6 1HB ARG 6 4.199 6.544 -7.072
40 HG2 ARG 6 2HG ARG 6 5.839 8.035 -5.033
41 HG3 ARG 6 1HG ARG 6 5.104 8.710 -6.489
42 HD2 ARG 6 2HD ARG 6 3.617 7.471 -4.171
43 HD3 ARG 6 1HD ARG 6 3.779 9.199 -4.479
44 HE ARG 6 HE ARG 6 1.929 7.405 -5.694
45 HH11 ARG 6 1HH1 ARG 6 3.783 10.318 -6.272
46 HH12 ARG 6 2HH1 ARG 6 2.745 10.887 -7.536
47 HH21 ARG 6 1HH2 ARG 6 0.548 8.152 -7.364
48 HH22 ARG 6 2HH2 ARG 6 0.897 9.653 -8.157
49 H ILE 7 H ILE 7 2.835 3.891 -5.251
50 HA ILE 7 HA ILE 7 3.682 2.189 -7.441
51 HB ILE 7 HB ILE 7 4.755 1.244 -5.361
52 HG12 ILE 7 2HG1 ILE 7 2.670 -0.502 -6.694
53 HG13 ILE 7 1HG1 ILE 7 4.268 -0.147 -7.342
54 HG21 ILE 7 1HG2 ILE 7 3.285 0.026 -3.792
55 HG22 ILE 7 2HG2 ILE 7 1.886 0.748 -4.590
56 HG23 ILE 7 3HG2 ILE 7 3.047 1.774 -3.745
57 HD11 ILE 7 3HD1 ILE 7 3.709 -1.615 -4.776
58 HD12 ILE 7 1HD1 ILE 7 5.300 -1.291 -5.465
59 HD13 ILE 7 2HD1 ILE 7 4.171 -2.353 -6.310
60 H LEU 8 H LEU 8 1.956 0.802 -8.176
61 HA LEU 8 HA LEU 8 -0.676 1.704 -7.247
62 HB2 LEU 8 2HB LEU 8 0.317 1.128 -10.011
63 HB3 LEU 8 1HB LEU 8 -1.395 1.083 -9.640
64 HG LEU 8 HG LEU 8 0.185 3.504 -8.907
65 HD11 LEU 8 1HD1 LEU 8 -0.582 2.633 -11.656
66 HD12 LEU 8 2HD1 LEU 8 0.856 3.497 -11.112
67 HD13 LEU 8 3HD1 LEU 8 -0.688 4.342 -11.235
68 HD21 LEU 8 3HD2 LEU 8 -2.575 2.697 -9.008
69 HD22 LEU 8 1HD2 LEU 8 -2.305 4.148 -9.973
70 HD23 LEU 8 2HD2 LEU 8 -1.845 4.124 -8.271
71 H LYS 9 H LYS 9 -0.151 -0.203 -5.756
72 HA LYS 9 HA LYS 9 -1.029 -2.709 -7.033
73 HB2 LYS 9 2HB LYS 9 1.221 -2.713 -5.890
74 HB3 LYS 9 1HB LYS 9 0.400 -2.368 -4.379
75 HG2 LYS 9 2HG LYS 9 -0.298 -4.795 -5.993
76 HG3 LYS 9 1HG LYS 9 1.082 -4.790 -4.896
77 HD2 LYS 9 2HD LYS 9 -0.352 -4.278 -3.023
78 HD3 LYS 9 1HD LYS 9 -1.745 -4.106 -4.093
79 HE2 LYS 9 2HE LYS 9 -2.058 -6.237 -3.288
80 HE3 LYS 9 1HE LYS 9 -1.164 -6.560 -4.772
81 HZ1 LYS 9 3HZ LYS 9 0.696 -7.166 -3.618
82 HZ2 LYS 9 1HZ LYS 9 -0.487 -7.649 -2.502
83 HZ3 LYS 9 2HZ LYS 9 0.341 -6.193 -2.280
84 H LYS 10 H LYS 10 -3.092 -3.266 -6.617
85 HA LYS 10 HA LYS 10 -4.705 -1.781 -4.810
86 HB2 LYS 10 2HB LYS 10 -5.179 -3.579 -6.902
87 HB3 LYS 10 1HB LYS 10 -5.819 -4.381 -5.471
88 HG2 LYS 10 2HG LYS 10 -6.715 -1.764 -5.253
89 HG3 LYS 10 1HG LYS 10 -6.880 -2.148 -6.966
90 HD2 LYS 10 2HD LYS 10 -8.725 -3.303 -6.514
91 HD3 LYS 10 1HD LYS 10 -7.782 -4.397 -5.497
92 HE2 LYS 10 2HE LYS 10 -9.113 -1.827 -4.641
93 HE3 LYS 10 1HE LYS 10 -9.620 -3.464 -4.224
94 HZ1 LYS 10 3HZ LYS 10 -7.277 -1.947 -3.260
95 HZ2 LYS 10 1HZ LYS 10 -7.266 -3.639 -3.223
96 HZ3 LYS 10 2HZ LYS 10 -8.445 -2.786 -2.368
97 H CYS 11 H CYS 11 -4.486 -1.910 -2.693
98 HA CYS 11 HA CYS 11 -3.408 -4.297 -1.470
99 HB2 CYS 11 2HB CYS 11 -3.388 -2.942 0.591
100 HB3 CYS 11 1HB CYS 11 -2.566 -2.152 -0.748
101 H ARG 12 H ARG 12 -4.294 -5.441 0.204
102 HA ARG 12 HA ARG 12 -7.210 -5.211 0.563
103 HB2 ARG 12 2HB ARG 12 -7.411 -7.596 0.641
104 HB3 ARG 12 1HB ARG 12 -6.504 -7.209 -0.812
105 HG2 ARG 12 2HG ARG 12 -4.443 -7.601 0.789
106 HG3 ARG 12 1HG ARG 12 -5.623 -8.569 1.673
107 HD2 ARG 12 2HD ARG 12 -4.542 -10.040 0.160
108 HD3 ARG 12 1HD ARG 12 -6.143 -9.719 -0.507
109 HE ARG 12 HE ARG 12 -4.214 -7.891 -1.528
110 HH11 ARG 12 1HH1 ARG 12 -5.307 -11.206 -1.839
111 HH12 ARG 12 2HH1 ARG 12 -4.774 -11.362 -3.478
112 HH21 ARG 12 1HH2 ARG 12 -3.518 -8.085 -3.670
113 HH22 ARG 12 2HH2 ARG 12 -3.752 -9.572 -4.529
114 H ARG 13 H ARG 13 -4.346 -4.709 1.822
115 HA ARG 13 HA ARG 13 -4.927 -4.118 4.384
116 HB2 ARG 13 2HB ARG 13 -3.877 -5.991 5.687
117 HB3 ARG 13 1HB ARG 13 -5.452 -6.360 5.007
118 HG2 ARG 13 2HG ARG 13 -4.166 -7.453 3.086
119 HG3 ARG 13 1HG ARG 13 -2.756 -7.347 4.145
120 HD2 ARG 13 2HD ARG 13 -3.909 -9.523 4.307
121 HD3 ARG 13 1HD ARG 13 -3.880 -8.648 5.840
122 HE ARG 13 HE ARG 13 -6.256 -8.044 4.438
123 HH11 ARG 13 1HH1 ARG 13 -4.744 -10.641 6.231
124 HH12 ARG 13 2HH1 ARG 13 -6.244 -11.344 6.735
125 HH21 ARG 13 1HH2 ARG 13 -8.244 -8.962 5.100
126 HH22 ARG 13 2HH2 ARG 13 -8.245 -10.385 6.090
127 H ASP 14 H ASP 14 -2.998 -3.650 5.650
128 HA ASP 14 HA ASP 14 -0.946 -2.553 4.123
129 HB2 ASP 14 2HB ASP 14 -1.033 -3.284 7.051
130 HB3 ASP 14 1HB ASP 14 0.327 -2.445 6.321
131 H SER 15 H SER 15 -1.119 -5.675 5.745
132 HA SER 15 HA SER 15 1.546 -6.478 5.411
133 HB2 SER 15 2HB SER 15 -0.806 -8.359 5.349
134 HB3 SER 15 1HB SER 15 0.800 -8.629 6.031
135 HG SER 15 HG SER 15 0.273 -6.958 7.572
136 H ASP 16 H ASP 16 -1.061 -6.250 3.176
137 HA ASP 16 HA ASP 16 0.083 -8.054 1.215
138 HB2 ASP 16 2HB ASP 16 -2.336 -7.909 1.403
139 HB3 ASP 16 1HB ASP 16 -2.290 -6.173 1.142
140 H CYS 17 H CYS 17 0.627 -4.943 2.232
141 HA CYS 17 HA CYS 17 1.452 -3.926 -0.368
142 HB2 CYS 17 2HB CYS 17 1.171 -2.677 2.357
143 HB3 CYS 17 1HB CYS 17 1.947 -1.834 1.021
144 HA PRO 18 HA PRO 18 5.674 -5.079 0.123
145 HB2 PRO 18 2HB PRO 18 6.857 -3.106 -1.334
146 HB3 PRO 18 1HB PRO 18 6.018 -4.483 -2.058
147 HG2 PRO 18 2HG PRO 18 5.013 -1.699 -1.574
148 HG3 PRO 18 1HG PRO 18 4.826 -2.719 -3.013
149 HD2 PRO 18 2HD PRO 18 2.842 -2.448 -1.227
150 HD3 PRO 18 1HD PRO 18 3.144 -3.994 -2.044
151 H GLY 19 H GLY 19 7.386 -4.653 1.433
152 HA2 GLY 19 2HA GLY 19 8.608 -3.659 3.106
153 HA3 GLY 19 1HA GLY 19 8.234 -2.129 2.320
154 H GLU 20 H GLU 20 7.374 -0.749 3.726
155 HA GLU 20 HA GLU 20 5.470 -1.823 5.687
156 HB2 GLU 20 2HB GLU 20 5.985 0.253 7.021
157 HB3 GLU 20 1HB GLU 20 7.299 -0.906 6.898
158 HG2 GLU 20 2HG GLU 20 8.481 0.447 5.380
159 HG3 GLU 20 1HG GLU 20 7.079 1.482 5.098
160 H CYS 21 H CYS 21 4.999 -1.000 2.896
161 HA CYS 21 HA CYS 21 3.704 1.511 2.824
162 HB2 CYS 21 2HB CYS 21 3.483 -0.958 1.120
163 HB3 CYS 21 1HB CYS 21 2.483 0.460 0.819
164 H ILE 22 H ILE 22 1.484 2.029 2.954
165 HA ILE 22 HA ILE 22 -0.038 0.059 4.527
166 HB ILE 22 HB ILE 22 -1.188 1.841 5.622
167 HG12 ILE 22 2HG1 ILE 22 0.360 3.772 3.874
168 HG13 ILE 22 1HG1 ILE 22 -1.347 3.386 3.681
169 HG21 ILE 22 1HG2 ILE 22 0.704 3.000 6.721
170 HG22 ILE 22 2HG2 ILE 22 1.774 2.360 5.473
171 HG23 ILE 22 3HG2 ILE 22 0.936 1.257 6.568
172 HD11 ILE 22 3HD1 ILE 22 -1.222 4.145 6.301
173 HD12 ILE 22 1HD1 ILE 22 -1.694 5.180 4.952
174 HD13 ILE 22 2HD1 ILE 22 -0.032 5.201 5.541
175 H CYS 23 H CYS 23 -2.310 -0.024 4.264
176 HA CYS 23 HA CYS 23 -3.089 0.215 1.489
177 HB2 CYS 23 2HB CYS 23 -3.675 -1.720 3.088
178 HB3 CYS 23 1HB CYS 23 -4.856 -0.619 3.794
179 H LYS 24 H LYS 24 -3.332 2.367 0.988
180 HA LYS 24 HA LYS 24 -4.669 4.129 2.835
181 HB2 LYS 24 2HB LYS 24 -4.243 5.885 1.224
182 HB3 LYS 24 1HB LYS 24 -2.797 4.923 1.460
183 HG2 LYS 24 2HG LYS 24 -3.735 3.654 -0.658
184 HG3 LYS 24 1HG LYS 24 -4.528 5.205 -0.927
185 HD2 LYS 24 2HD LYS 24 -1.563 4.744 -0.582
186 HD3 LYS 24 1HD LYS 24 -2.390 5.114 -2.092
187 HE2 LYS 24 2HE LYS 24 -1.585 7.186 -1.518
188 HE3 LYS 24 1HE LYS 24 -3.185 7.242 -0.786
189 HZ1 LYS 24 3HZ LYS 24 -1.185 7.992 0.600
190 HZ2 LYS 24 1HZ LYS 24 -0.827 6.345 0.772
191 HZ3 LYS 24 2HZ LYS 24 -2.301 6.960 1.334
192 H GLY 25 H GLY 25 -6.555 5.417 2.292
193 HA2 GLY 25 2HA GLY 25 -8.835 3.997 1.823
194 HA3 GLY 25 1HA GLY 25 -8.716 5.727 1.569
195 H ASN 26 H ASN 26 -6.747 5.323 -0.598
196 HA ASN 26 HA ASN 26 -8.472 5.311 -2.815
197 HB2 ASN 26 2HB ASN 26 -6.476 6.524 -3.038
198 HB3 ASN 26 1HB ASN 26 -5.491 5.201 -2.436
199 HD21 ASN 26 1HD2 ASN 26 -4.218 4.481 -3.922
200 HD22 ASN 26 2HD2 ASN 26 -4.593 4.238 -5.587
201 H GLY 27 H GLY 27 -7.172 2.751 -1.005
202 HA2 GLY 27 2HA GLY 27 -7.691 0.493 -1.219
203 HA3 GLY 27 1HA GLY 27 -8.281 0.801 -2.848
204 H TYR 28 H TYR 28 -5.315 2.217 -2.317
205 HA TYR 28 HA TYR 28 -3.878 -0.071 -3.474
206 HB2 TYR 28 2HB TYR 28 -3.738 2.834 -4.244
207 HB3 TYR 28 1HB TYR 28 -2.392 1.746 -4.553
208 HD1 TYR 28 1HD TYR 28 -6.067 1.146 -4.882
209 HD2 TYR 28 2HD TYR 28 -2.316 1.508 -6.861
210 HE1 TYR 28 1HE TYR 28 -7.109 0.424 -6.981
211 HE2 TYR 28 2HE TYR 28 -3.349 0.778 -8.954
212 HH TYR 28 HH TYR 28 -6.189 0.916 -9.761
213 H CYS 29 H CYS 29 -1.534 0.143 -3.209
214 HA CYS 29 HA CYS 29 -0.949 0.552 -0.418
215 HB2 CYS 29 2HB CYS 29 0.716 -0.387 -2.755
216 HB3 CYS 29 1HB CYS 29 1.345 -0.258 -1.113
217 H GLY 30 H GLY 30 -0.105 2.267 0.498
218 HA2 GLY 30 2HA GLY 30 1.876 3.919 -0.602
219 HA3 GLY 30 1HA GLY 30 0.310 4.683 -0.862
Start of MODEL 16
1 H1 PCA 1 H PCA 1 4.516 10.220 6.745
2 HA PCA 1 HA PCA 1 6.584 10.460 8.156
3 HB2 PCA 1 1HB PCA 1 5.619 8.763 10.298
4 HB3 PCA 1 2HB PCA 1 6.050 10.482 10.384
5 HG2 PCA 1 1HG PCA 1 3.429 9.308 10.419
6 HG3 PCA 1 2HG PCA 1 3.861 11.033 10.489
7 H ARG 2 H ARG 2 4.383 7.732 7.818
8 HA ARG 2 HA ARG 2 6.262 5.654 7.997
9 HB2 ARG 2 2HB ARG 2 3.490 5.954 7.626
10 HB3 ARG 2 1HB ARG 2 4.063 5.028 6.244
11 HG2 ARG 2 2HG ARG 2 4.712 4.313 9.087
12 HG3 ARG 2 1HG ARG 2 3.311 3.694 8.215
13 HD2 ARG 2 2HD ARG 2 4.750 2.714 6.533
14 HD3 ARG 2 1HD ARG 2 6.168 3.417 7.304
15 HE ARG 2 HE ARG 2 6.230 1.627 8.687
16 HH11 ARG 2 1HH1 ARG 2 2.945 1.893 7.468
17 HH12 ARG 2 2HH1 ARG 2 2.412 0.427 8.218
18 HH21 ARG 2 1HH2 ARG 2 5.556 -0.324 9.619
19 HH22 ARG 2 2HH2 ARG 2 3.901 -0.834 9.454
20 H ALA 3 H ALA 3 7.761 4.975 6.600
21 HA ALA 3 HA ALA 3 8.082 6.260 4.055
22 HB1 ALA 3 1HB ALA 3 10.060 4.817 3.823
23 HB2 ALA 3 2HB ALA 3 9.602 3.970 5.301
24 HB3 ALA 3 3HB ALA 3 10.041 5.677 5.362
25 H CYS 4 H CYS 4 7.653 5.460 2.052
26 HA CYS 4 HA CYS 4 7.070 2.718 1.549
27 HB2 CYS 4 2HB CYS 4 4.960 2.990 2.506
28 HB3 CYS 4 1HB CYS 4 4.809 4.651 1.948
29 HA PRO 5 HA PRO 5 8.278 4.379 -2.428
30 HB2 PRO 5 2HB PRO 5 8.108 2.034 -3.795
31 HB3 PRO 5 1HB PRO 5 9.466 2.421 -2.733
32 HG2 PRO 5 2HG PRO 5 7.061 0.723 -2.192
33 HG3 PRO 5 1HG PRO 5 8.757 0.428 -1.767
34 HD2 PRO 5 2HD PRO 5 6.950 1.365 0.018
35 HD3 PRO 5 1HD PRO 5 8.668 1.807 0.077
36 H ARG 6 H ARG 6 7.035 5.232 -4.058
37 HA ARG 6 HA ARG 6 4.219 4.786 -3.911
38 HB2 ARG 6 2HB ARG 6 5.427 6.990 -4.453
39 HB3 ARG 6 1HB ARG 6 5.562 6.357 -6.090
40 HG2 ARG 6 2HG ARG 6 3.598 7.875 -5.631
41 HG3 ARG 6 1HG ARG 6 3.226 6.322 -6.381
42 HD2 ARG 6 2HD ARG 6 1.669 6.978 -4.535
43 HD3 ARG 6 1HD ARG 6 2.459 5.419 -4.304
44 HE ARG 6 HE ARG 6 3.362 7.885 -2.954
45 HH11 ARG 6 1HH1 ARG 6 2.570 4.475 -2.909
46 HH12 ARG 6 2HH1 ARG 6 3.068 4.241 -1.266
47 HH21 ARG 6 1HH2 ARG 6 3.998 7.583 -0.758
48 HH22 ARG 6 2HH2 ARG 6 3.862 6.012 -0.041
49 H ILE 7 H ILE 7 3.132 3.289 -4.856
50 HA ILE 7 HA ILE 7 3.725 2.435 -7.556
51 HB ILE 7 HB ILE 7 5.030 0.898 -6.033
52 HG12 ILE 7 2HG1 ILE 7 2.786 -0.407 -7.594
53 HG13 ILE 7 1HG1 ILE 7 4.274 0.218 -8.298
54 HG21 ILE 7 1HG2 ILE 7 2.265 0.096 -5.147
55 HG22 ILE 7 2HG2 ILE 7 3.528 0.820 -4.150
56 HG23 ILE 7 3HG2 ILE 7 3.737 -0.809 -4.792
57 HD11 ILE 7 3HD1 ILE 7 3.752 -2.337 -7.123
58 HD12 ILE 7 1HD1 ILE 7 5.065 -1.534 -6.263
59 HD13 ILE 7 2HD1 ILE 7 5.172 -1.780 -8.007
60 H LEU 8 H LEU 8 1.916 1.400 -8.524
61 HA LEU 8 HA LEU 8 -0.591 2.038 -7.167
62 HB2 LEU 8 2HB LEU 8 0.149 1.734 -10.058
63 HB3 LEU 8 1HB LEU 8 -1.527 1.689 -9.542
64 HG LEU 8 HG LEU 8 0.174 3.980 -8.683
65 HD11 LEU 8 1HD1 LEU 8 -0.441 3.298 -11.439
66 HD12 LEU 8 2HD1 LEU 8 0.624 4.548 -10.797
67 HD13 LEU 8 3HD1 LEU 8 -1.102 4.866 -10.971
68 HD21 LEU 8 3HD2 LEU 8 -2.495 3.259 -8.396
69 HD22 LEU 8 1HD2 LEU 8 -2.496 4.543 -9.606
70 HD23 LEU 8 2HD2 LEU 8 -1.768 4.822 -8.024
71 H LYS 9 H LYS 9 -0.261 0.077 -5.862
72 HA LYS 9 HA LYS 9 -1.240 -2.288 -7.322
73 HB2 LYS 9 2HB LYS 9 0.971 -2.778 -6.572
74 HB3 LYS 9 1HB LYS 9 0.668 -2.084 -4.991
75 HG2 LYS 9 2HG LYS 9 -1.006 -4.398 -5.767
76 HG3 LYS 9 1HG LYS 9 0.704 -4.710 -5.451
77 HD2 LYS 9 2HD LYS 9 0.341 -3.344 -3.305
78 HD3 LYS 9 1HD LYS 9 -1.378 -3.581 -3.608
79 HE2 LYS 9 2HE LYS 9 0.561 -5.871 -3.492
80 HE3 LYS 9 1HE LYS 9 -0.214 -5.224 -2.050
81 HZ1 LYS 9 3HZ LYS 9 -1.383 -6.740 -4.257
82 HZ2 LYS 9 1HZ LYS 9 -2.355 -5.596 -3.473
83 HZ3 LYS 9 2HZ LYS 9 -1.655 -6.866 -2.589
84 H LYS 10 H LYS 10 -3.163 -3.022 -6.729
85 HA LYS 10 HA LYS 10 -4.727 -1.671 -4.799
86 HB2 LYS 10 2HB LYS 10 -5.112 -4.120 -6.481
87 HB3 LYS 10 1HB LYS 10 -6.243 -3.783 -5.177
88 HG2 LYS 10 2HG LYS 10 -6.885 -1.724 -6.139
89 HG3 LYS 10 1HG LYS 10 -5.571 -1.777 -7.313
90 HD2 LYS 10 2HD LYS 10 -7.600 -2.359 -8.438
91 HD3 LYS 10 1HD LYS 10 -6.624 -3.822 -8.287
92 HE2 LYS 10 2HE LYS 10 -7.956 -4.533 -6.380
93 HE3 LYS 10 1HE LYS 10 -8.906 -3.050 -6.473
94 HZ1 LYS 10 3HZ LYS 10 -8.753 -5.118 -8.600
95 HZ2 LYS 10 1HZ LYS 10 -9.700 -3.716 -8.642
96 HZ3 LYS 10 2HZ LYS 10 -10.036 -4.931 -7.514
97 H CYS 11 H CYS 11 -4.775 -1.919 -2.706
98 HA CYS 11 HA CYS 11 -3.400 -4.216 -1.535
99 HB2 CYS 11 2HB CYS 11 -3.251 -2.841 0.487
100 HB3 CYS 11 1HB CYS 11 -2.574 -2.017 -0.913
101 H ARG 12 H ARG 12 -4.196 -5.438 0.057
102 HA ARG 12 HA ARG 12 -7.092 -5.250 0.575
103 HB2 ARG 12 2HB ARG 12 -5.307 -7.691 0.514
104 HB3 ARG 12 1HB ARG 12 -7.009 -7.700 0.959
105 HG2 ARG 12 2HG ARG 12 -5.982 -6.774 -1.711
106 HG3 ARG 12 1HG ARG 12 -6.525 -8.417 -1.379
107 HD2 ARG 12 2HD ARG 12 -8.358 -7.257 -2.376
108 HD3 ARG 12 1HD ARG 12 -8.730 -7.443 -0.664
109 HE ARG 12 HE ARG 12 -7.440 -4.957 -1.156
110 HH11 ARG 12 1HH1 ARG 12 -10.536 -6.558 -1.509
111 HH12 ARG 12 2HH1 ARG 12 -11.447 -5.090 -1.414
112 HH21 ARG 12 1HH2 ARG 12 -8.613 -3.032 -1.034
113 HH22 ARG 12 2HH2 ARG 12 -10.345 -3.062 -1.143
114 H ARG 13 H ARG 13 -4.049 -4.907 1.794
115 HA ARG 13 HA ARG 13 -4.759 -4.193 4.373
116 HB2 ARG 13 2HB ARG 13 -3.711 -6.022 5.696
117 HB3 ARG 13 1HB ARG 13 -5.192 -6.504 4.895
118 HG2 ARG 13 2HG ARG 13 -3.859 -7.589 3.132
119 HG3 ARG 13 1HG ARG 13 -2.390 -7.144 4.002
120 HD2 ARG 13 2HD ARG 13 -2.980 -9.440 4.496
121 HD3 ARG 13 1HD ARG 13 -3.164 -8.445 5.940
122 HE ARG 13 HE ARG 13 -5.383 -8.959 5.958
123 HH11 ARG 13 1HH1 ARG 13 -4.130 -9.679 2.765
124 HH12 ARG 13 2HH1 ARG 13 -5.625 -10.335 2.185
125 HH21 ARG 13 1HH2 ARG 13 -7.360 -9.821 5.194
126 HH22 ARG 13 2HH2 ARG 13 -7.467 -10.413 3.570
127 H ASP 14 H ASP 14 -2.827 -3.722 5.700
128 HA ASP 14 HA ASP 14 -0.824 -2.503 4.176
129 HB2 ASP 14 2HB ASP 14 -0.833 -3.276 7.099
130 HB3 ASP 14 1HB ASP 14 0.462 -2.347 6.349
131 H SER 15 H SER 15 -0.894 -5.634 5.782
132 HA SER 15 HA SER 15 1.804 -6.341 5.367
133 HB2 SER 15 2HB SER 15 -0.487 -8.298 5.493
134 HB3 SER 15 1HB SER 15 1.166 -8.504 6.078
135 HG SER 15 HG SER 15 0.647 -6.729 7.567
136 H ASP 16 H ASP 16 -0.871 -6.154 3.269
137 HA ASP 16 HA ASP 16 0.158 -7.992 1.279
138 HB2 ASP 16 2HB ASP 16 -2.189 -7.994 1.396
139 HB3 ASP 16 1HB ASP 16 -2.279 -6.248 1.545
140 H CYS 17 H CYS 17 0.544 -4.785 2.219
141 HA CYS 17 HA CYS 17 1.333 -3.788 -0.389
142 HB2 CYS 17 2HB CYS 17 1.070 -2.573 2.351
143 HB3 CYS 17 1HB CYS 17 1.911 -1.715 1.063
144 HA PRO 18 HA PRO 18 5.563 -4.892 0.039
145 HB2 PRO 18 2HB PRO 18 6.725 -2.976 -1.497
146 HB3 PRO 18 1HB PRO 18 5.849 -4.358 -2.163
147 HG2 PRO 18 2HG PRO 18 4.920 -1.542 -1.761
148 HG3 PRO 18 1HG PRO 18 4.641 -2.628 -3.136
149 HD2 PRO 18 2HD PRO 18 2.773 -2.186 -1.226
150 HD3 PRO 18 1HD PRO 18 2.922 -3.739 -2.070
151 H GLY 19 H GLY 19 7.285 -4.461 1.292
152 HA2 GLY 19 2HA GLY 19 8.547 -3.466 2.928
153 HA3 GLY 19 1HA GLY 19 8.228 -1.954 2.089
154 H GLU 20 H GLU 20 7.504 -0.498 3.468
155 HA GLU 20 HA GLU 20 5.682 -1.372 5.592
156 HB2 GLU 20 2HB GLU 20 7.603 0.931 5.403
157 HB3 GLU 20 1HB GLU 20 6.286 0.937 6.567
158 HG2 GLU 20 2HG GLU 20 7.468 -1.534 6.932
159 HG3 GLU 20 1HG GLU 20 8.828 -0.445 6.644
160 H CYS 21 H CYS 21 4.939 -0.793 2.784
161 HA CYS 21 HA CYS 21 3.607 1.733 2.736
162 HB2 CYS 21 2HB CYS 21 3.407 -0.741 1.035
163 HB3 CYS 21 1HB CYS 21 2.339 0.638 0.787
164 H ILE 22 H ILE 22 1.380 2.173 2.951
165 HA ILE 22 HA ILE 22 -0.039 0.129 4.533
166 HB ILE 22 HB ILE 22 -1.314 1.908 5.596
167 HG12 ILE 22 2HG1 ILE 22 0.462 3.827 4.069
168 HG13 ILE 22 1HG1 ILE 22 -1.244 3.542 3.738
169 HG21 ILE 22 1HG2 ILE 22 0.877 3.142 6.559
170 HG22 ILE 22 2HG2 ILE 22 1.618 1.742 5.783
171 HG23 ILE 22 3HG2 ILE 22 0.381 1.514 7.020
172 HD11 ILE 22 3HD1 ILE 22 -0.192 4.593 6.351
173 HD12 ILE 22 1HD1 ILE 22 -1.874 4.490 5.834
174 HD13 ILE 22 2HD1 ILE 22 -0.772 5.608 5.030
175 H CYS 23 H CYS 23 -2.281 -0.082 4.264
176 HA CYS 23 HA CYS 23 -3.102 0.242 1.505
177 HB2 CYS 23 2HB CYS 23 -3.541 -1.806 2.963
178 HB3 CYS 23 1HB CYS 23 -4.742 -0.828 3.806
179 H LYS 24 H LYS 24 -3.628 2.341 1.014
180 HA LYS 24 HA LYS 24 -5.122 3.856 2.991
181 HB2 LYS 24 2HB LYS 24 -4.838 5.774 1.499
182 HB3 LYS 24 1HB LYS 24 -3.316 5.000 1.886
183 HG2 LYS 24 2HG LYS 24 -3.822 3.753 -0.405
184 HG3 LYS 24 1HG LYS 24 -4.724 5.245 -0.698
185 HD2 LYS 24 2HD LYS 24 -1.798 4.946 -0.047
186 HD3 LYS 24 1HD LYS 24 -2.517 5.596 -1.521
187 HE2 LYS 24 2HE LYS 24 -3.222 7.563 -0.431
188 HE3 LYS 24 1HE LYS 24 -2.962 6.867 1.168
189 HZ1 LYS 24 3HZ LYS 24 -0.595 6.909 0.811
190 HZ2 LYS 24 1HZ LYS 24 -1.226 8.460 0.527
191 HZ3 LYS 24 2HZ LYS 24 -0.800 7.472 -0.776
192 H GLY 25 H GLY 25 -7.050 5.066 2.449
193 HA2 GLY 25 2HA GLY 25 -9.208 3.537 1.782
194 HA3 GLY 25 1HA GLY 25 -9.200 5.286 1.666
195 H ASN 26 H ASN 26 -7.109 5.145 -0.440
196 HA ASN 26 HA ASN 26 -8.736 5.241 -2.725
197 HB2 ASN 26 2HB ASN 26 -6.749 6.509 -2.763
198 HB3 ASN 26 1HB ASN 26 -5.764 5.151 -2.249
199 HD21 ASN 26 1HD2 ASN 26 -4.434 4.596 -3.757
200 HD22 ASN 26 2HD2 ASN 26 -4.763 4.481 -5.445
201 H GLY 27 H GLY 27 -7.364 2.606 -1.061
202 HA2 GLY 27 2HA GLY 27 -7.820 0.349 -1.442
203 HA3 GLY 27 1HA GLY 27 -8.363 0.751 -3.066
204 H TYR 28 H TYR 28 -5.475 2.235 -2.305
205 HA TYR 28 HA TYR 28 -3.905 0.081 -3.535
206 HB2 TYR 28 2HB TYR 28 -3.871 3.015 -4.207
207 HB3 TYR 28 1HB TYR 28 -2.479 1.991 -4.519
208 HD1 TYR 28 2HD TYR 28 -6.118 1.293 -4.969
209 HD2 TYR 28 1HD TYR 28 -2.323 1.826 -6.821
210 HE1 TYR 28 2HE TYR 28 -7.075 0.599 -7.122
211 HE2 TYR 28 1HE TYR 28 -3.277 1.136 -8.970
212 HH TYR 28 HH TYR 28 -5.744 1.182 -10.001
213 H CYS 29 H CYS 29 -1.602 0.372 -3.217
214 HA CYS 29 HA CYS 29 -1.053 0.753 -0.415
215 HB2 CYS 29 2HB CYS 29 0.643 -0.086 -2.768
216 HB3 CYS 29 1HB CYS 29 1.279 0.052 -1.124
217 H GLY 30 H GLY 30 -0.397 2.566 0.513
218 HA2 GLY 30 2HA GLY 30 1.510 4.296 -0.730
219 HA3 GLY 30 1HA GLY 30 -0.105 4.992 -0.739
Start of MODEL 17
1 H1 PCA 1 H PCA 1 4.342 9.201 7.100
2 HA PCA 1 HA PCA 1 6.274 9.301 8.632
3 HB2 PCA 1 1HB PCA 1 5.451 7.203 10.426
4 HB3 PCA 1 2HB PCA 1 5.537 8.939 10.782
5 HG2 PCA 1 1HG PCA 1 3.188 7.333 10.442
6 HG3 PCA 1 2HG PCA 1 3.279 9.091 10.719
7 H ARG 2 H ARG 2 4.423 6.413 7.847
8 HA ARG 2 HA ARG 2 6.619 4.625 7.676
9 HB2 ARG 2 2HB ARG 2 5.084 3.025 6.902
10 HB3 ARG 2 1HB ARG 2 4.137 4.044 7.971
11 HG2 ARG 2 2HG ARG 2 4.176 4.340 4.975
12 HG3 ARG 2 1HG ARG 2 2.995 3.376 5.855
13 HD2 ARG 2 2HD ARG 2 2.213 5.355 7.025
14 HD3 ARG 2 1HD ARG 2 3.451 6.336 6.239
15 HE ARG 2 HE ARG 2 1.945 5.098 4.239
16 HH11 ARG 2 1HH1 ARG 2 1.475 7.496 6.775
17 HH12 ARG 2 2HH1 ARG 2 0.226 8.328 5.910
18 HH21 ARG 2 1HH2 ARG 2 0.301 6.203 3.103
19 HH22 ARG 2 2HH2 ARG 2 -0.436 7.600 3.829
20 H ALA 3 H ALA 3 7.843 3.992 5.927
21 HA ALA 3 HA ALA 3 7.840 5.855 3.699
22 HB1 ALA 3 1HB ALA 3 9.890 4.693 3.003
23 HB2 ALA 3 2HB ALA 3 9.689 3.567 4.347
24 HB3 ALA 3 3HB ALA 3 9.975 5.279 4.664
25 H CYS 4 H CYS 4 7.188 5.444 1.682
26 HA CYS 4 HA CYS 4 6.645 2.708 0.867
27 HB2 CYS 4 2HB CYS 4 4.507 3.481 1.841
28 HB3 CYS 4 1HB CYS 4 4.521 4.867 0.755
29 HA PRO 5 HA PRO 5 8.568 4.484 -2.724
30 HB2 PRO 5 2HB PRO 5 8.457 2.261 -4.273
31 HB3 PRO 5 1HB PRO 5 9.620 2.451 -2.956
32 HG2 PRO 5 2HG PRO 5 7.016 0.974 -2.983
33 HG3 PRO 5 1HG PRO 5 8.575 0.478 -2.299
34 HD2 PRO 5 2HD PRO 5 6.575 1.484 -0.775
35 HD3 PRO 5 1HD PRO 5 8.289 1.747 -0.398
36 H ARG 6 H ARG 6 8.000 5.112 -4.835
37 HA ARG 6 HA ARG 6 5.252 5.635 -5.250
38 HB2 ARG 6 2HB ARG 6 6.937 7.152 -6.103
39 HB3 ARG 6 1HB ARG 6 7.629 5.885 -7.103
40 HG2 ARG 6 2HG ARG 6 6.317 7.427 -8.436
41 HG3 ARG 6 1HG ARG 6 5.591 5.820 -8.445
42 HD2 ARG 6 2HD ARG 6 3.998 6.553 -6.719
43 HD3 ARG 6 1HD ARG 6 4.711 8.166 -6.765
44 HE ARG 6 HE ARG 6 3.936 7.467 -9.361
45 HH11 ARG 6 1HH1 ARG 6 2.484 8.205 -6.270
46 HH12 ARG 6 2HH1 ARG 6 1.024 8.835 -6.954
47 HH21 ARG 6 1HH2 ARG 6 2.005 8.294 -10.281
48 HH22 ARG 6 2HH2 ARG 6 0.748 8.883 -9.246
49 H ILE 7 H ILE 7 4.037 3.817 -5.395
50 HA ILE 7 HA ILE 7 4.203 2.335 -7.885
51 HB ILE 7 HB ILE 7 5.574 1.055 -6.185
52 HG12 ILE 7 2HG1 ILE 7 3.080 -0.338 -7.193
53 HG13 ILE 7 1HG1 ILE 7 4.523 -0.026 -8.153
54 HG21 ILE 7 1HG2 ILE 7 4.358 -0.188 -4.451
55 HG22 ILE 7 2HG2 ILE 7 2.880 0.674 -4.883
56 HG23 ILE 7 3HG2 ILE 7 4.252 1.556 -4.208
57 HD11 ILE 7 3HD1 ILE 7 4.255 -2.354 -7.206
58 HD12 ILE 7 1HD1 ILE 7 4.598 -1.644 -5.628
59 HD13 ILE 7 2HD1 ILE 7 5.801 -1.557 -6.914
60 H LEU 8 H LEU 8 2.212 1.239 -8.361
61 HA LEU 8 HA LEU 8 -0.033 2.066 -6.662
62 HB2 LEU 8 2HB LEU 8 0.298 2.355 -9.610
63 HB3 LEU 8 1HB LEU 8 -1.301 2.038 -8.973
64 HG LEU 8 HG LEU 8 -0.880 4.071 -7.449
65 HD11 LEU 8 1HD1 LEU 8 1.164 4.646 -9.582
66 HD12 LEU 8 2HD1 LEU 8 1.527 4.228 -7.907
67 HD13 LEU 8 3HD1 LEU 8 0.666 5.722 -8.275
68 HD21 LEU 8 3HD2 LEU 8 -1.531 5.619 -9.330
69 HD22 LEU 8 1HD2 LEU 8 -2.532 4.182 -9.124
70 HD23 LEU 8 2HD2 LEU 8 -1.330 4.242 -10.414
71 H LYS 9 H LYS 9 -0.659 0.237 -5.740
72 HA LYS 9 HA LYS 9 -1.546 -1.938 -7.459
73 HB2 LYS 9 2HB LYS 9 0.690 -2.645 -6.933
74 HB3 LYS 9 1HB LYS 9 0.480 -2.239 -5.237
75 HG2 LYS 9 2HG LYS 9 -1.450 -4.201 -6.217
76 HG3 LYS 9 1HG LYS 9 0.233 -4.731 -6.319
77 HD2 LYS 9 2HD LYS 9 0.550 -4.172 -3.959
78 HD3 LYS 9 1HD LYS 9 -1.127 -3.630 -3.864
79 HE2 LYS 9 2HE LYS 9 -1.927 -5.853 -4.288
80 HE3 LYS 9 1HE LYS 9 -0.289 -6.432 -4.603
81 HZ1 LYS 9 3HZ LYS 9 -1.201 -5.341 -1.995
82 HZ2 LYS 9 1HZ LYS 9 0.282 -6.086 -2.320
83 HZ3 LYS 9 2HZ LYS 9 -1.148 -6.989 -2.359
84 H LYS 10 H LYS 10 -3.467 -2.707 -6.775
85 HA LYS 10 HA LYS 10 -4.828 -1.439 -4.674
86 HB2 LYS 10 2HB LYS 10 -5.399 -3.781 -6.416
87 HB3 LYS 10 1HB LYS 10 -6.356 -3.597 -4.948
88 HG2 LYS 10 2HG LYS 10 -6.653 -1.152 -5.782
89 HG3 LYS 10 1HG LYS 10 -6.217 -1.831 -7.347
90 HD2 LYS 10 2HD LYS 10 -8.217 -2.800 -7.589
91 HD3 LYS 10 1HD LYS 10 -8.197 -3.433 -5.938
92 HE2 LYS 10 2HE LYS 10 -8.928 -0.620 -6.758
93 HE3 LYS 10 1HE LYS 10 -10.056 -1.879 -6.261
94 HZ1 LYS 10 3HZ LYS 10 -9.358 -1.755 -4.074
95 HZ2 LYS 10 1HZ LYS 10 -9.286 -0.132 -4.548
96 HZ3 LYS 10 2HZ LYS 10 -7.868 -1.051 -4.460
97 H CYS 11 H CYS 11 -4.898 -1.774 -2.586
98 HA CYS 11 HA CYS 11 -3.295 -3.942 -1.509
99 HB2 CYS 11 2HB CYS 11 -3.576 -2.724 0.644
100 HB3 CYS 11 1HB CYS 11 -2.837 -1.763 -0.629
101 H ARG 12 H ARG 12 -3.960 -5.477 -0.150
102 HA ARG 12 HA ARG 12 -6.873 -5.848 0.115
103 HB2 ARG 12 2HB ARG 12 -4.707 -7.944 0.389
104 HB3 ARG 12 1HB ARG 12 -6.442 -8.220 0.319
105 HG2 ARG 12 2HG ARG 12 -4.665 -7.242 -1.903
106 HG3 ARG 12 1HG ARG 12 -5.484 -8.798 -1.793
107 HD2 ARG 12 2HD ARG 12 -6.795 -6.093 -2.055
108 HD3 ARG 12 1HD ARG 12 -6.668 -7.317 -3.315
109 HE ARG 12 HE ARG 12 -8.596 -7.193 -1.216
110 HH11 ARG 12 1HH1 ARG 12 -6.848 -9.410 -3.284
111 HH12 ARG 12 2HH1 ARG 12 -8.035 -10.667 -3.162
112 HH21 ARG 12 1HH2 ARG 12 -10.168 -8.841 -1.047
113 HH22 ARG 12 2HH2 ARG 12 -9.935 -10.339 -1.882
114 H ARG 13 H ARG 13 -4.021 -5.103 1.665
115 HA ARG 13 HA ARG 13 -5.032 -4.467 4.132
116 HB2 ARG 13 2HB ARG 13 -4.094 -6.201 5.611
117 HB3 ARG 13 1HB ARG 13 -5.380 -6.829 4.603
118 HG2 ARG 13 2HG ARG 13 -3.714 -7.838 3.117
119 HG3 ARG 13 1HG ARG 13 -2.428 -7.203 4.146
120 HD2 ARG 13 2HD ARG 13 -2.769 -9.490 4.734
121 HD3 ARG 13 1HD ARG 13 -3.409 -8.497 6.041
122 HE ARG 13 HE ARG 13 -5.480 -9.357 5.629
123 HH11 ARG 13 1HH1 ARG 13 -3.446 -10.004 2.851
124 HH12 ARG 13 2HH1 ARG 13 -4.642 -10.950 2.032
125 HH21 ARG 13 1HH2 ARG 13 -7.068 -10.602 4.551
126 HH22 ARG 13 2HH2 ARG 13 -6.709 -11.292 3.003
127 H ASP 14 H ASP 14 -3.283 -3.897 5.647
128 HA ASP 14 HA ASP 14 -1.229 -2.526 4.370
129 HB2 ASP 14 2HB ASP 14 -1.412 -3.453 7.244
130 HB3 ASP 14 1HB ASP 14 -0.191 -2.333 6.645
131 H SER 15 H SER 15 -1.126 -5.651 6.017
132 HA SER 15 HA SER 15 1.628 -6.139 5.651
133 HB2 SER 15 2HB SER 15 0.259 -7.327 7.316
134 HB3 SER 15 1HB SER 15 -0.638 -8.113 6.019
135 HG SER 15 HG SER 15 1.908 -8.554 5.535
136 H ASP 16 H ASP 16 -0.985 -6.220 3.467
137 HA ASP 16 HA ASP 16 0.235 -8.118 1.645
138 HB2 ASP 16 2HB ASP 16 -1.992 -8.404 1.351
139 HB3 ASP 16 1HB ASP 16 -2.376 -6.797 1.944
140 H CYS 17 H CYS 17 0.475 -4.869 2.373
141 HA CYS 17 HA CYS 17 1.270 -4.018 -0.285
142 HB2 CYS 17 2HB CYS 17 0.934 -2.611 2.352
143 HB3 CYS 17 1HB CYS 17 1.717 -1.821 0.987
144 HA PRO 18 HA PRO 18 5.537 -4.915 0.270
145 HB2 PRO 18 2HB PRO 18 6.625 -3.103 -1.434
146 HB3 PRO 18 1HB PRO 18 5.795 -4.567 -1.976
147 HG2 PRO 18 2HG PRO 18 4.767 -1.760 -1.801
148 HG3 PRO 18 1HG PRO 18 4.537 -2.958 -3.089
149 HD2 PRO 18 2HD PRO 18 2.641 -2.440 -1.230
150 HD3 PRO 18 1HD PRO 18 2.859 -4.049 -1.941
151 H GLY 19 H GLY 19 7.267 -4.288 1.458
152 HA2 GLY 19 2HA GLY 19 8.515 -3.081 2.956
153 HA3 GLY 19 1HA GLY 19 8.082 -1.669 2.004
154 H GLU 20 H GLU 20 7.388 -0.147 3.341
155 HA GLU 20 HA GLU 20 5.734 -0.906 5.638
156 HB2 GLU 20 2HB GLU 20 7.099 1.716 5.006
157 HB3 GLU 20 1HB GLU 20 6.218 1.349 6.481
158 HG2 GLU 20 2HG GLU 20 7.848 -0.287 7.116
159 HG3 GLU 20 1HG GLU 20 8.680 -0.116 5.569
160 H CYS 21 H CYS 21 4.963 -0.527 2.660
161 HA CYS 21 HA CYS 21 3.285 1.761 2.566
162 HB2 CYS 21 2HB CYS 21 3.206 -0.796 0.955
163 HB3 CYS 21 1HB CYS 21 2.226 0.624 0.610
164 H ILE 22 H ILE 22 1.135 2.000 2.996
165 HA ILE 22 HA ILE 22 -0.132 -0.253 4.405
166 HB ILE 22 HB ILE 22 -1.466 1.428 5.648
167 HG12 ILE 22 2HG1 ILE 22 0.503 3.444 4.539
168 HG13 ILE 22 1HG1 ILE 22 -1.154 3.265 3.965
169 HG21 ILE 22 1HG2 ILE 22 1.466 1.938 6.073
170 HG22 ILE 22 2HG2 ILE 22 0.713 0.389 6.453
171 HG23 ILE 22 3HG2 ILE 22 0.177 1.853 7.273
172 HD11 ILE 22 3HD1 ILE 22 -0.952 3.584 6.857
173 HD12 ILE 22 1HD1 ILE 22 -1.993 4.400 5.691
174 HD13 ILE 22 2HD1 ILE 22 -0.338 4.958 5.938
175 H CYS 23 H CYS 23 -2.478 -0.346 4.275
176 HA CYS 23 HA CYS 23 -3.332 0.059 1.552
177 HB2 CYS 23 2HB CYS 23 -3.881 -1.952 3.002
178 HB3 CYS 23 1HB CYS 23 -4.982 -0.912 3.896
179 H LYS 24 H LYS 24 -3.592 2.215 1.126
180 HA LYS 24 HA LYS 24 -4.926 3.941 3.001
181 HB2 LYS 24 2HB LYS 24 -4.603 5.698 1.380
182 HB3 LYS 24 1HB LYS 24 -3.128 4.764 1.534
183 HG2 LYS 24 2HG LYS 24 -4.280 3.502 -0.550
184 HG3 LYS 24 1HG LYS 24 -4.902 5.140 -0.776
185 HD2 LYS 24 2HD LYS 24 -2.009 4.311 -0.542
186 HD3 LYS 24 1HD LYS 24 -2.827 4.905 -1.988
187 HE2 LYS 24 2HE LYS 24 -3.002 7.083 -1.129
188 HE3 LYS 24 1HE LYS 24 -2.662 6.550 0.518
189 HZ1 LYS 24 3HZ LYS 24 -0.618 6.154 -1.552
190 HZ2 LYS 24 1HZ LYS 24 -0.430 6.390 0.118
191 HZ3 LYS 24 2HZ LYS 24 -0.822 7.697 -0.892
192 H GLY 25 H GLY 25 -6.876 5.143 2.567
193 HA2 GLY 25 2HA GLY 25 -9.125 3.660 2.144
194 HA3 GLY 25 1HA GLY 25 -9.072 5.400 1.939
195 H ASN 26 H ASN 26 -7.224 5.213 -0.321
196 HA ASN 26 HA ASN 26 -9.059 5.147 -2.449
197 HB2 ASN 26 2HB ASN 26 -7.230 6.513 -2.833
198 HB3 ASN 26 1HB ASN 26 -6.089 5.354 -2.173
199 HD21 ASN 26 1HD2 ASN 26 -4.744 4.689 -3.627
200 HD22 ASN 26 2HD2 ASN 26 -5.085 4.335 -5.279
201 H GLY 27 H GLY 27 -7.425 2.634 -0.843
202 HA2 GLY 27 2HA GLY 27 -7.799 0.353 -1.122
203 HA3 GLY 27 1HA GLY 27 -8.530 0.683 -2.689
204 H TYR 28 H TYR 28 -5.527 2.117 -1.943
205 HA TYR 28 HA TYR 28 -4.059 0.106 -3.496
206 HB2 TYR 28 2HB TYR 28 -4.114 3.078 -3.891
207 HB3 TYR 28 1HB TYR 28 -2.638 2.192 -4.232
208 HD1 TYR 28 2HD TYR 28 -6.218 1.322 -4.907
209 HD2 TYR 28 1HD TYR 28 -2.378 2.184 -6.532
210 HE1 TYR 28 2HE TYR 28 -7.048 0.787 -7.155
211 HE2 TYR 28 1HE TYR 28 -3.206 1.654 -8.777
212 HH TYR 28 HH TYR 28 -5.476 1.634 -9.946
213 H CYS 29 H CYS 29 -1.732 0.289 -3.167
214 HA CYS 29 HA CYS 29 -1.157 0.469 -0.347
215 HB2 CYS 29 2HB CYS 29 0.460 -0.315 -2.776
216 HB3 CYS 29 1HB CYS 29 1.164 -0.247 -1.159
217 H GLY 30 H GLY 30 -0.338 2.205 0.682
218 HA2 GLY 30 2HA GLY 30 1.708 3.832 -0.270
219 HA3 GLY 30 1HA GLY 30 0.201 4.614 -0.724
Start of MODEL 18
1 H1 PCA 1 H PCA 1 1.820 6.104 7.243
2 HA PCA 1 HA PCA 1 2.938 8.307 6.878
3 HB2 PCA 1 1HB PCA 1 3.886 8.632 9.586
4 HB3 PCA 1 2HB PCA 1 2.688 9.627 8.738
5 HG2 PCA 1 1HG PCA 1 2.242 7.716 10.835
6 HG3 PCA 1 2HG PCA 1 1.036 8.703 9.974
7 H ARG 2 H ARG 2 3.767 5.628 6.560
8 HA ARG 2 HA ARG 2 6.502 5.616 7.624
9 HB2 ARG 2 2HB ARG 2 4.817 3.371 6.511
10 HB3 ARG 2 1HB ARG 2 6.489 3.204 7.029
11 HG2 ARG 2 2HG ARG 2 4.150 3.958 8.766
12 HG3 ARG 2 1HG ARG 2 4.985 2.405 8.742
13 HD2 ARG 2 2HD ARG 2 6.104 5.072 9.600
14 HD3 ARG 2 1HD ARG 2 5.767 3.678 10.627
15 HE ARG 2 HE ARG 2 7.614 3.001 8.567
16 HH11 ARG 2 1HH1 ARG 2 7.405 4.738 11.602
17 HH12 ARG 2 2HH1 ARG 2 9.069 4.491 12.003
18 HH21 ARG 2 1HH2 ARG 2 9.792 2.651 9.079
19 HH22 ARG 2 2HH2 ARG 2 10.439 3.302 10.561
20 H ALA 3 H ALA 3 7.965 4.244 5.987
21 HA ALA 3 HA ALA 3 8.119 5.906 3.638
22 HB1 ALA 3 1HB ALA 3 10.139 4.609 3.119
23 HB2 ALA 3 2HB ALA 3 9.797 3.550 4.487
24 HB3 ALA 3 3HB ALA 3 10.161 5.255 4.759
25 H CYS 4 H CYS 4 7.553 5.422 1.602
26 HA CYS 4 HA CYS 4 7.023 2.703 0.800
27 HB2 CYS 4 2HB CYS 4 4.895 3.288 1.860
28 HB3 CYS 4 1HB CYS 4 4.785 4.743 0.874
29 HA PRO 5 HA PRO 5 8.556 4.627 -2.906
30 HB2 PRO 5 2HB PRO 5 8.404 2.439 -4.500
31 HB3 PRO 5 1HB PRO 5 9.670 2.644 -3.285
32 HG2 PRO 5 2HG PRO 5 7.152 1.035 -3.148
33 HG3 PRO 5 1HG PRO 5 8.780 0.617 -2.583
34 HD2 PRO 5 2HD PRO 5 6.811 1.498 -0.924
35 HD3 PRO 5 1HD PRO 5 8.536 1.788 -0.622
36 H ARG 6 H ARG 6 7.642 5.503 -4.757
37 HA ARG 6 HA ARG 6 4.820 5.634 -4.867
38 HB2 ARG 6 2HB ARG 6 6.909 6.517 -6.863
39 HB3 ARG 6 1HB ARG 6 5.195 6.880 -7.005
40 HG2 ARG 6 2HG ARG 6 7.012 7.758 -4.770
41 HG3 ARG 6 1HG ARG 6 6.409 8.767 -6.087
42 HD2 ARG 6 2HD ARG 6 4.114 8.395 -5.314
43 HD3 ARG 6 1HD ARG 6 4.719 7.389 -4.000
44 HE ARG 6 HE ARG 6 5.167 9.282 -2.826
45 HH11 ARG 6 1HH1 ARG 6 4.901 10.160 -6.208
46 HH12 ARG 6 2HH1 ARG 6 5.109 11.854 -5.919
47 HH21 ARG 6 1HH2 ARG 6 5.440 11.521 -2.441
48 HH22 ARG 6 2HH2 ARG 6 5.417 12.629 -3.771
49 H ILE 7 H ILE 7 3.753 3.806 -5.277
50 HA ILE 7 HA ILE 7 3.984 2.661 -7.932
51 HB ILE 7 HB ILE 7 5.519 1.319 -6.425
52 HG12 ILE 7 2HG1 ILE 7 3.150 -0.168 -7.584
53 HG13 ILE 7 1HG1 ILE 7 4.532 0.410 -8.508
54 HG21 ILE 7 1HG2 ILE 7 4.424 -0.286 -4.885
55 HG22 ILE 7 2HG2 ILE 7 2.899 0.563 -5.142
56 HG23 ILE 7 3HG2 ILE 7 4.253 1.396 -4.375
57 HD11 ILE 7 3HD1 ILE 7 5.981 -1.051 -7.094
58 HD12 ILE 7 1HD1 ILE 7 4.830 -1.911 -8.118
59 HD13 ILE 7 2HD1 ILE 7 4.508 -1.724 -6.393
60 H LEU 8 H LEU 8 2.092 1.469 -8.516
61 HA LEU 8 HA LEU 8 -0.185 2.029 -6.749
62 HB2 LEU 8 2HB LEU 8 0.083 2.146 -9.721
63 HB3 LEU 8 1HB LEU 8 -1.477 1.765 -9.017
64 HG LEU 8 HG LEU 8 -1.212 3.917 -7.662
65 HD11 LEU 8 1HD1 LEU 8 1.196 4.194 -8.091
66 HD12 LEU 8 2HD1 LEU 8 0.248 5.610 -8.548
67 HD13 LEU 8 3HD1 LEU 8 0.836 4.502 -9.790
68 HD21 LEU 8 3HD2 LEU 8 -1.940 5.306 -9.613
69 HD22 LEU 8 1HD2 LEU 8 -2.818 3.790 -9.400
70 HD23 LEU 8 2HD2 LEU 8 -1.575 3.923 -10.647
71 H LYS 9 H LYS 9 -0.706 0.242 -5.724
72 HA LYS 9 HA LYS 9 -1.311 -2.141 -7.280
73 HB2 LYS 9 2HB LYS 9 0.923 -2.651 -6.660
74 HB3 LYS 9 1HB LYS 9 0.711 -2.003 -5.045
75 HG2 LYS 9 2HG LYS 9 -0.955 -4.336 -5.795
76 HG3 LYS 9 1HG LYS 9 0.772 -4.606 -5.546
77 HD2 LYS 9 2HD LYS 9 0.442 -3.272 -3.370
78 HD3 LYS 9 1HD LYS 9 -1.276 -3.579 -3.613
79 HE2 LYS 9 2HE LYS 9 0.798 -5.753 -3.542
80 HE3 LYS 9 1HE LYS 9 -0.061 -5.187 -2.112
81 HZ1 LYS 9 3HZ LYS 9 -2.133 -5.688 -3.582
82 HZ2 LYS 9 1HZ LYS 9 -1.350 -6.931 -2.727
83 HZ3 LYS 9 2HZ LYS 9 -1.064 -6.726 -4.388
84 H LYS 10 H LYS 10 -3.170 -3.015 -6.627
85 HA LYS 10 HA LYS 10 -4.689 -1.794 -4.564
86 HB2 LYS 10 2HB LYS 10 -5.112 -4.130 -6.387
87 HB3 LYS 10 1HB LYS 10 -6.200 -3.885 -5.026
88 HG2 LYS 10 2HG LYS 10 -6.777 -1.688 -5.835
89 HG3 LYS 10 1HG LYS 10 -5.621 -1.837 -7.157
90 HD2 LYS 10 2HD LYS 10 -6.904 -3.703 -8.070
91 HD3 LYS 10 1HD LYS 10 -8.051 -3.575 -6.731
92 HE2 LYS 10 2HE LYS 10 -8.623 -1.309 -7.435
93 HE3 LYS 10 1HE LYS 10 -7.470 -1.423 -8.762
94 HZ1 LYS 10 3HZ LYS 10 -9.401 -3.562 -8.695
95 HZ2 LYS 10 1HZ LYS 10 -8.896 -2.599 -9.991
96 HZ3 LYS 10 2HZ LYS 10 -10.087 -2.034 -8.933
97 H CYS 11 H CYS 11 -4.938 -2.320 -2.493
98 HA CYS 11 HA CYS 11 -3.589 -4.758 -1.548
99 HB2 CYS 11 2HB CYS 11 -3.340 -3.468 0.618
100 HB3 CYS 11 1HB CYS 11 -2.372 -2.900 -0.736
101 H ARG 12 H ARG 12 -4.589 -6.077 -0.160
102 HA ARG 12 HA ARG 12 -7.425 -5.516 0.398
103 HB2 ARG 12 2HB ARG 12 -7.778 -7.849 0.528
104 HB3 ARG 12 1HB ARG 12 -6.689 -7.642 -0.835
105 HG2 ARG 12 2HG ARG 12 -4.847 -8.052 0.993
106 HG3 ARG 12 1HG ARG 12 -6.182 -8.838 1.839
107 HD2 ARG 12 2HD ARG 12 -5.225 -10.575 0.626
108 HD3 ARG 12 1HD ARG 12 -6.573 -10.069 -0.393
109 HE ARG 12 HE ARG 12 -4.241 -8.638 -1.114
110 HH11 ARG 12 1HH1 ARG 12 -5.686 -11.825 -1.389
111 HH12 ARG 12 2HH1 ARG 12 -4.750 -12.268 -2.777
112 HH21 ARG 12 1HH2 ARG 12 -2.997 -9.221 -2.909
113 HH22 ARG 12 2HH2 ARG 12 -3.207 -10.774 -3.652
114 H ARG 13 H ARG 13 -4.532 -5.124 1.713
115 HA ARG 13 HA ARG 13 -5.311 -4.514 4.294
116 HB2 ARG 13 2HB ARG 13 -4.160 -6.306 5.585
117 HB3 ARG 13 1HB ARG 13 -5.602 -6.870 4.760
118 HG2 ARG 13 2HG ARG 13 -4.121 -7.769 2.961
119 HG3 ARG 13 1HG ARG 13 -2.737 -7.327 3.962
120 HD2 ARG 13 2HD ARG 13 -4.931 -9.279 4.658
121 HD3 ARG 13 1HD ARG 13 -3.258 -9.670 4.267
122 HE ARG 13 HE ARG 13 -3.401 -7.913 6.496
123 HH11 ARG 13 1HH1 ARG 13 -3.841 -11.257 5.572
124 HH12 ARG 13 2HH1 ARG 13 -3.532 -11.877 7.158
125 HH21 ARG 13 1HH2 ARG 13 -2.994 -8.729 8.611
126 HH22 ARG 13 2HH2 ARG 13 -3.050 -10.438 8.890
127 H ASP 14 H ASP 14 -3.396 -4.015 5.668
128 HA ASP 14 HA ASP 14 -1.444 -2.634 4.197
129 HB2 ASP 14 2HB ASP 14 -1.296 -3.543 7.079
130 HB3 ASP 14 1HB ASP 14 -0.302 -2.290 6.338
131 H SER 15 H SER 15 -1.419 -5.810 5.673
132 HA SER 15 HA SER 15 1.310 -6.404 5.327
133 HB2 SER 15 2HB SER 15 -0.156 -7.688 6.822
134 HB3 SER 15 1HB SER 15 -1.069 -8.277 5.436
135 HG SER 15 HG SER 15 1.418 -8.851 4.907
136 H ASP 16 H ASP 16 -1.266 -6.173 3.100
137 HA ASP 16 HA ASP 16 -0.183 -7.935 1.082
138 HB2 ASP 16 2HB ASP 16 -2.639 -7.362 1.406
139 HB3 ASP 16 1HB ASP 16 -2.274 -5.764 0.781
140 H CYS 17 H CYS 17 0.318 -4.756 2.177
141 HA CYS 17 HA CYS 17 1.416 -3.765 -0.317
142 HB2 CYS 17 2HB CYS 17 1.006 -2.554 2.410
143 HB3 CYS 17 1HB CYS 17 1.899 -1.719 1.142
144 HA PRO 18 HA PRO 18 5.533 -5.025 0.613
145 HB2 PRO 18 2HB PRO 18 6.870 -3.498 -1.160
146 HB3 PRO 18 1HB PRO 18 5.865 -4.866 -1.654
147 HG2 PRO 18 2HG PRO 18 5.234 -1.942 -1.687
148 HG3 PRO 18 1HG PRO 18 4.874 -3.180 -2.905
149 HD2 PRO 18 2HD PRO 18 3.045 -2.264 -1.095
150 HD3 PRO 18 1HD PRO 18 2.992 -3.886 -1.806
151 H GLY 19 H GLY 19 7.274 -4.442 1.818
152 HA2 GLY 19 2HA GLY 19 8.555 -3.224 3.275
153 HA3 GLY 19 1HA GLY 19 8.242 -1.848 2.228
154 H GLU 20 H GLU 20 7.648 -0.211 3.483
155 HA GLU 20 HA GLU 20 5.911 -0.727 5.774
156 HB2 GLU 20 2HB GLU 20 7.406 1.767 4.963
157 HB3 GLU 20 1HB GLU 20 6.429 1.605 6.411
158 HG2 GLU 20 2HG GLU 20 7.956 -0.168 7.196
159 HG3 GLU 20 1HG GLU 20 8.963 0.116 5.774
160 H CYS 21 H CYS 21 5.183 -0.502 2.748
161 HA CYS 21 HA CYS 21 3.581 1.827 2.507
162 HB2 CYS 21 2HB CYS 21 3.457 -0.824 1.062
163 HB3 CYS 21 1HB CYS 21 2.475 0.571 0.631
164 H ILE 22 H ILE 22 1.447 2.188 2.942
165 HA ILE 22 HA ILE 22 0.101 0.071 4.489
166 HB ILE 22 HB ILE 22 -1.211 1.882 5.573
167 HG12 ILE 22 2HG1 ILE 22 0.808 3.709 4.245
168 HG13 ILE 22 1HG1 ILE 22 -0.902 3.609 3.838
169 HG21 ILE 22 1HG2 ILE 22 0.534 2.545 7.120
170 HG22 ILE 22 2HG2 ILE 22 1.774 2.117 5.941
171 HG23 ILE 22 3HG2 ILE 22 0.751 0.861 6.642
172 HD11 ILE 22 3HD1 ILE 22 -1.545 4.560 5.895
173 HD12 ILE 22 1HD1 ILE 22 -0.205 5.538 5.298
174 HD13 ILE 22 2HD1 ILE 22 0.067 4.356 6.579
175 H CYS 23 H CYS 23 -2.188 -0.110 4.272
176 HA CYS 23 HA CYS 23 -3.003 0.258 1.524
177 HB2 CYS 23 2HB CYS 23 -3.495 -1.758 3.093
178 HB3 CYS 23 1HB CYS 23 -4.790 -0.745 3.724
179 H LYS 24 H LYS 24 -3.413 2.370 1.062
180 HA LYS 24 HA LYS 24 -4.783 4.050 2.950
181 HB2 LYS 24 2HB LYS 24 -4.594 5.800 1.309
182 HB3 LYS 24 1HB LYS 24 -3.077 4.929 1.379
183 HG2 LYS 24 2HG LYS 24 -3.636 3.749 -0.664
184 HG3 LYS 24 1HG LYS 24 -5.199 4.563 -0.721
185 HD2 LYS 24 2HD LYS 24 -3.692 5.665 -2.240
186 HD3 LYS 24 1HD LYS 24 -4.007 6.736 -0.877
187 HE2 LYS 24 2HE LYS 24 -1.610 4.938 -0.887
188 HE3 LYS 24 1HE LYS 24 -1.583 6.471 -1.756
189 HZ1 LYS 24 3HZ LYS 24 -2.515 6.596 0.991
190 HZ2 LYS 24 1HZ LYS 24 -1.489 7.639 0.147
191 HZ3 LYS 24 2HZ LYS 24 -0.879 6.201 0.802
192 H GLY 25 H GLY 25 -6.834 5.083 2.600
193 HA2 GLY 25 2HA GLY 25 -8.974 3.431 2.214
194 HA3 GLY 25 1HA GLY 25 -9.063 5.173 2.039
195 H ASN 26 H ASN 26 -7.207 5.075 -0.271
196 HA ASN 26 HA ASN 26 -9.078 4.977 -2.365
197 HB2 ASN 26 2HB ASN 26 -7.291 6.393 -2.765
198 HB3 ASN 26 1HB ASN 26 -6.109 5.257 -2.138
199 HD21 ASN 26 1HD2 ASN 26 -4.808 4.520 -3.592
200 HD22 ASN 26 2HD2 ASN 26 -5.159 4.221 -5.251
201 H GLY 27 H GLY 27 -7.282 2.488 -0.839
202 HA2 GLY 27 2HA GLY 27 -7.709 0.193 -1.152
203 HA3 GLY 27 1HA GLY 27 -8.328 0.546 -2.760
204 H TYR 28 H TYR 28 -5.496 2.190 -2.185
205 HA TYR 28 HA TYR 28 -3.901 0.092 -3.475
206 HB2 TYR 28 2HB TYR 28 -4.022 3.029 -4.077
207 HB3 TYR 28 1HB TYR 28 -2.564 2.112 -4.420
208 HD1 TYR 28 1HD TYR 28 -6.176 1.249 -4.849
209 HD2 TYR 28 2HD TYR 28 -2.406 1.880 -6.711
210 HE1 TYR 28 1HE TYR 28 -7.119 0.523 -6.997
211 HE2 TYR 28 2HE TYR 28 -3.341 1.158 -8.860
212 HH TYR 28 HH TYR 28 -5.531 0.997 -9.960
213 H CYS 29 H CYS 29 -1.611 0.347 -3.190
214 HA CYS 29 HA CYS 29 -0.979 0.685 -0.408
215 HB2 CYS 29 2HB CYS 29 0.596 -0.167 -2.832
216 HB3 CYS 29 1HB CYS 29 1.341 -0.007 -1.237
217 H GLY 30 H GLY 30 -0.185 2.409 0.553
218 HA2 GLY 30 2HA GLY 30 1.739 4.135 -0.584
219 HA3 GLY 30 1HA GLY 30 0.146 4.877 -0.694
Start of MODEL 19
1 H1 PCA 1 H PCA 1 6.126 8.756 9.337
2 HA PCA 1 HA PCA 1 8.425 7.901 9.802
3 HB2 PCA 1 1HB PCA 1 7.588 5.407 10.996
4 HB3 PCA 1 2HB PCA 1 8.458 6.742 11.775
5 HG2 PCA 1 1HG PCA 1 5.716 5.974 12.132
6 HG3 PCA 1 2HG PCA 1 6.581 7.339 12.883
7 H ARG 2 H ARG 2 5.507 6.170 8.914
8 HA ARG 2 HA ARG 2 6.559 4.078 7.434
9 HB2 ARG 2 2HB ARG 2 3.995 5.339 7.859
10 HB3 ARG 2 1HB ARG 2 4.175 4.845 6.180
11 HG2 ARG 2 2HG ARG 2 3.138 3.104 7.504
12 HG3 ARG 2 1HG ARG 2 4.706 2.595 6.886
13 HD2 ARG 2 2HD ARG 2 5.515 3.525 9.228
14 HD3 ARG 2 1HD ARG 2 3.850 3.144 9.671
15 HE ARG 2 HE ARG 2 5.987 1.296 9.166
16 HH11 ARG 2 1HH1 ARG 2 2.487 1.661 9.120
17 HH12 ARG 2 2HH1 ARG 2 2.188 -0.042 9.061
18 HH21 ARG 2 1HH2 ARG 2 5.601 -0.931 9.072
19 HH22 ARG 2 2HH2 ARG 2 3.964 -1.525 9.042
20 H ALA 3 H ALA 3 7.393 3.889 5.466
21 HA ALA 3 HA ALA 3 7.277 6.193 3.644
22 HB1 ALA 3 1HB ALA 3 9.571 5.664 2.921
23 HB2 ALA 3 2HB ALA 3 9.667 4.432 4.179
24 HB3 ALA 3 3HB ALA 3 9.496 6.130 4.622
25 H CYS 4 H CYS 4 6.835 5.717 1.553
26 HA CYS 4 HA CYS 4 7.025 3.000 0.578
27 HB2 CYS 4 2HB CYS 4 4.840 3.020 1.730
28 HB3 CYS 4 1HB CYS 4 4.346 4.404 0.763
29 HA PRO 5 HA PRO 5 7.875 5.315 -3.111
30 HB2 PRO 5 2HB PRO 5 7.679 3.280 -4.907
31 HB3 PRO 5 1HB PRO 5 9.071 3.481 -3.836
32 HG2 PRO 5 2HG PRO 5 6.706 1.669 -3.551
33 HG3 PRO 5 1HG PRO 5 8.422 1.326 -3.256
34 HD2 PRO 5 2HD PRO 5 6.685 1.861 -1.253
35 HD3 PRO 5 1HD PRO 5 8.395 2.333 -1.181
36 H ARG 6 H ARG 6 6.817 5.879 -5.157
37 HA ARG 6 HA ARG 6 3.979 6.086 -4.833
38 HB2 ARG 6 2HB ARG 6 5.926 7.085 -6.889
39 HB3 ARG 6 1HB ARG 6 4.197 7.177 -7.192
40 HG2 ARG 6 2HG ARG 6 4.934 9.275 -6.319
41 HG3 ARG 6 1HG ARG 6 3.953 8.476 -5.090
42 HD2 ARG 6 2HD ARG 6 6.010 7.722 -3.970
43 HD3 ARG 6 1HD ARG 6 6.967 8.573 -5.179
44 HE ARG 6 HE ARG 6 5.718 9.697 -2.888
45 HH11 ARG 6 1HH1 ARG 6 6.608 10.418 -6.200
46 HH12 ARG 6 2HH1 ARG 6 6.636 12.133 -5.956
47 HH21 ARG 6 1HH2 ARG 6 5.758 11.960 -2.561
48 HH22 ARG 6 2HH2 ARG 6 6.152 13.011 -3.880
49 H ILE 7 H ILE 7 3.960 3.628 -4.804
50 HA ILE 7 HA ILE 7 3.820 2.451 -7.473
51 HB ILE 7 HB ILE 7 4.975 1.247 -5.582
52 HG12 ILE 7 2HG1 ILE 7 2.616 -0.209 -6.802
53 HG13 ILE 7 1HG1 ILE 7 4.156 0.075 -7.606
54 HG21 ILE 7 1HG2 ILE 7 2.158 0.925 -4.567
55 HG22 ILE 7 2HG2 ILE 7 3.468 1.803 -3.775
56 HG23 ILE 7 3HG2 ILE 7 3.564 0.049 -3.959
57 HD11 ILE 7 3HD1 ILE 7 5.049 -1.718 -6.661
58 HD12 ILE 7 1HD1 ILE 7 3.438 -2.119 -6.059
59 HD13 ILE 7 2HD1 ILE 7 4.551 -1.193 -5.053
60 H LEU 8 H LEU 8 1.925 1.281 -8.139
61 HA LEU 8 HA LEU 8 -0.547 2.210 -6.859
62 HB2 LEU 8 2HB LEU 8 0.147 2.120 -9.783
63 HB3 LEU 8 1HB LEU 8 -1.514 2.191 -9.221
64 HG LEU 8 HG LEU 8 0.468 4.238 -8.308
65 HD11 LEU 8 1HD1 LEU 8 -1.004 4.161 -10.930
66 HD12 LEU 8 2HD1 LEU 8 0.721 4.402 -10.654
67 HD13 LEU 8 3HD1 LEU 8 -0.428 5.661 -10.204
68 HD21 LEU 8 3HD2 LEU 8 -2.484 4.472 -8.821
69 HD22 LEU 8 1HD2 LEU 8 -1.443 5.578 -7.922
70 HD23 LEU 8 2HD2 LEU 8 -1.804 3.978 -7.269
71 H LYS 9 H LYS 9 -0.284 0.132 -5.762
72 HA LYS 9 HA LYS 9 -1.373 -2.059 -7.407
73 HB2 LYS 9 2HB LYS 9 0.926 -2.567 -6.749
74 HB3 LYS 9 1HB LYS 9 0.540 -2.232 -5.067
75 HG2 LYS 9 2HG LYS 9 -1.186 -4.261 -6.234
76 HG3 LYS 9 1HG LYS 9 0.523 -4.697 -6.274
77 HD2 LYS 9 2HD LYS 9 0.705 -4.270 -3.886
78 HD3 LYS 9 1HD LYS 9 -0.986 -3.765 -3.838
79 HE2 LYS 9 2HE LYS 9 -1.733 -5.967 -4.370
80 HE3 LYS 9 1HE LYS 9 -0.089 -6.507 -4.705
81 HZ1 LYS 9 3HZ LYS 9 -0.055 -7.181 -2.599
82 HZ2 LYS 9 1HZ LYS 9 -1.484 -6.364 -2.212
83 HZ3 LYS 9 2HZ LYS 9 0.002 -5.559 -2.141
84 H LYS 10 H LYS 10 -3.343 -2.740 -6.771
85 HA LYS 10 HA LYS 10 -4.676 -1.511 -4.622
86 HB2 LYS 10 2HB LYS 10 -5.318 -3.802 -6.418
87 HB3 LYS 10 1HB LYS 10 -6.267 -3.597 -4.952
88 HG2 LYS 10 2HG LYS 10 -6.422 -1.112 -5.835
89 HG3 LYS 10 1HG LYS 10 -6.141 -1.904 -7.383
90 HD2 LYS 10 2HD LYS 10 -8.405 -2.081 -7.336
91 HD3 LYS 10 1HD LYS 10 -8.026 -3.532 -6.408
92 HE2 LYS 10 2HE LYS 10 -8.775 -0.821 -5.315
93 HE3 LYS 10 1HE LYS 10 -9.757 -2.284 -5.276
94 HZ1 LYS 10 3HZ LYS 10 -8.837 -2.136 -3.158
95 HZ2 LYS 10 1HZ LYS 10 -7.314 -1.661 -3.727
96 HZ3 LYS 10 2HZ LYS 10 -7.839 -3.258 -3.929
97 H CYS 11 H CYS 11 -4.700 -1.910 -2.557
98 HA CYS 11 HA CYS 11 -3.236 -4.226 -1.579
99 HB2 CYS 11 2HB CYS 11 -3.420 -3.013 0.624
100 HB3 CYS 11 1HB CYS 11 -2.521 -2.168 -0.634
101 H ARG 12 H ARG 12 -4.015 -5.737 -0.276
102 HA ARG 12 HA ARG 12 -6.936 -5.950 -0.036
103 HB2 ARG 12 2HB ARG 12 -4.766 -7.995 0.509
104 HB3 ARG 12 1HB ARG 12 -6.496 -8.303 0.529
105 HG2 ARG 12 2HG ARG 12 -6.666 -8.001 -1.815
106 HG3 ARG 12 1HG ARG 12 -5.025 -7.357 -1.915
107 HD2 ARG 12 2HD ARG 12 -4.117 -9.511 -1.254
108 HD3 ARG 12 1HD ARG 12 -5.746 -10.159 -1.069
109 HE ARG 12 HE ARG 12 -5.570 -9.238 -3.665
110 HH11 ARG 12 1HH1 ARG 12 -3.898 -11.586 -1.695
111 HH12 ARG 12 2HH1 ARG 12 -3.583 -12.668 -3.010
112 HH21 ARG 12 1HH2 ARG 12 -5.162 -10.659 -5.420
113 HH22 ARG 12 2HH2 ARG 12 -4.305 -12.137 -5.140
114 H ARG 13 H ARG 13 -4.165 -5.086 1.588
115 HA ARG 13 HA ARG 13 -5.209 -4.190 3.941
116 HB2 ARG 13 2HB ARG 13 -4.355 -5.905 5.571
117 HB3 ARG 13 1HB ARG 13 -5.778 -6.399 4.671
118 HG2 ARG 13 2HG ARG 13 -4.130 -7.566 3.089
119 HG3 ARG 13 1HG ARG 13 -2.951 -7.342 4.382
120 HD2 ARG 13 2HD ARG 13 -4.016 -9.537 4.518
121 HD3 ARG 13 1HD ARG 13 -4.402 -8.548 5.926
122 HE ARG 13 HE ARG 13 -6.419 -8.170 4.028
123 HH11 ARG 13 1HH1 ARG 13 -5.174 -10.716 6.081
124 HH12 ARG 13 2HH1 ARG 13 -6.695 -11.528 6.222
125 HH21 ARG 13 1HH2 ARG 13 -8.435 -9.233 4.209
126 HH22 ARG 13 2HH2 ARG 13 -8.560 -10.681 5.152
127 H ASP 14 H ASP 14 -3.431 -3.696 5.539
128 HA ASP 14 HA ASP 14 -1.244 -2.557 4.244
129 HB2 ASP 14 2HB ASP 14 -1.415 -3.351 7.157
130 HB3 ASP 14 1HB ASP 14 -0.309 -2.166 6.467
131 H SER 15 H SER 15 -1.497 -5.657 5.916
132 HA SER 15 HA SER 15 1.225 -6.375 5.780
133 HB2 SER 15 2HB SER 15 -1.101 -8.299 5.736
134 HB3 SER 15 1HB SER 15 0.505 -8.550 6.423
135 HG SER 15 HG SER 15 -0.028 -6.829 7.916
136 H ASP 16 H ASP 16 -1.267 -6.305 3.434
137 HA ASP 16 HA ASP 16 -0.060 -8.192 1.605
138 HB2 ASP 16 2HB ASP 16 -2.452 -8.060 1.612
139 HB3 ASP 16 1HB ASP 16 -2.423 -6.311 1.450
140 H CYS 17 H CYS 17 0.384 -4.972 2.461
141 HA CYS 17 HA CYS 17 1.362 -4.111 -0.132
142 HB2 CYS 17 2HB CYS 17 0.964 -2.735 2.510
143 HB3 CYS 17 1HB CYS 17 1.866 -1.969 1.203
144 HA PRO 18 HA PRO 18 5.540 -5.271 0.583
145 HB2 PRO 18 2HB PRO 18 6.773 -3.490 -1.060
146 HB3 PRO 18 1HB PRO 18 5.914 -4.917 -1.647
147 HG2 PRO 18 2HG PRO 18 4.971 -2.080 -1.489
148 HG3 PRO 18 1HG PRO 18 4.771 -3.256 -2.803
149 HD2 PRO 18 2HD PRO 18 2.788 -2.721 -1.063
150 HD3 PRO 18 1HD PRO 18 3.035 -4.348 -1.734
151 H GLY 19 H GLY 19 7.207 -4.750 1.865
152 HA2 GLY 19 2HA GLY 19 8.391 -3.663 3.493
153 HA3 GLY 19 1HA GLY 19 8.281 -2.275 2.426
154 H GLU 20 H GLU 20 7.795 -0.602 3.649
155 HA GLU 20 HA GLU 20 5.944 -0.874 5.875
156 HB2 GLU 20 2HB GLU 20 7.816 1.316 4.987
157 HB3 GLU 20 1HB GLU 20 6.656 1.539 6.292
158 HG2 GLU 20 2HG GLU 20 8.578 -0.751 6.354
159 HG3 GLU 20 1HG GLU 20 9.085 0.864 6.850
160 H CYS 21 H CYS 21 5.061 -0.899 2.993
161 HA CYS 21 HA CYS 21 3.644 1.590 2.633
162 HB2 CYS 21 2HB CYS 21 3.436 -1.059 1.187
163 HB3 CYS 21 1HB CYS 21 2.547 0.389 0.729
164 H ILE 22 H ILE 22 1.452 1.970 2.929
165 HA ILE 22 HA ILE 22 0.057 -0.084 4.523
166 HB ILE 22 HB ILE 22 -1.252 1.724 5.554
167 HG12 ILE 22 2HG1 ILE 22 0.646 3.584 4.102
168 HG13 ILE 22 1HG1 ILE 22 -1.061 3.371 3.725
169 HG21 ILE 22 1HG2 ILE 22 1.540 2.578 6.052
170 HG22 ILE 22 2HG2 ILE 22 1.160 0.870 6.282
171 HG23 ILE 22 3HG2 ILE 22 0.276 2.099 7.186
172 HD11 ILE 22 3HD1 ILE 22 -1.393 5.115 5.061
173 HD12 ILE 22 1HD1 ILE 22 0.216 4.991 5.770
174 HD13 ILE 22 2HD1 ILE 22 -1.102 3.999 6.395
175 H CYS 23 H CYS 23 -2.302 -0.097 4.314
176 HA CYS 23 HA CYS 23 -3.034 0.114 1.515
177 HB2 CYS 23 2HB CYS 23 -3.655 -1.836 3.044
178 HB3 CYS 23 1HB CYS 23 -4.804 -0.758 3.816
179 H LYS 24 H LYS 24 -3.265 2.229 0.988
180 HA LYS 24 HA LYS 24 -4.489 4.111 2.740
181 HB2 LYS 24 2HB LYS 24 -4.200 5.717 0.911
182 HB3 LYS 24 1HB LYS 24 -2.730 4.822 1.252
183 HG2 LYS 24 2HG LYS 24 -3.818 3.300 -0.702
184 HG3 LYS 24 1HG LYS 24 -4.380 4.907 -1.166
185 HD2 LYS 24 2HD LYS 24 -1.525 4.051 -0.693
186 HD3 LYS 24 1HD LYS 24 -2.267 4.448 -2.242
187 HE2 LYS 24 2HE LYS 24 -1.922 6.368 0.056
188 HE3 LYS 24 1HE LYS 24 -0.857 6.266 -1.345
189 HZ1 LYS 24 3HZ LYS 24 -2.971 7.891 -1.172
190 HZ2 LYS 24 1HZ LYS 24 -3.668 6.568 -1.967
191 HZ3 LYS 24 2HZ LYS 24 -2.315 7.342 -2.630
192 H GLY 25 H GLY 25 -6.237 5.571 1.990
193 HA2 GLY 25 2HA GLY 25 -8.663 4.341 1.994
194 HA3 GLY 25 1HA GLY 25 -8.408 5.979 1.437
195 H ASN 26 H ASN 26 -6.887 5.298 -0.931
196 HA ASN 26 HA ASN 26 -9.154 4.617 -2.573
197 HB2 ASN 26 2HB ASN 26 -7.702 5.065 -4.511
198 HB3 ASN 26 1HB ASN 26 -7.717 6.391 -3.359
199 HD21 ASN 26 1HD2 ASN 26 -5.835 4.359 -5.196
200 HD22 ASN 26 2HD2 ASN 26 -4.300 4.690 -4.475
201 H GLY 27 H GLY 27 -7.685 2.588 -0.826
202 HA2 GLY 27 2HA GLY 27 -7.367 0.329 -0.895
203 HA3 GLY 27 1HA GLY 27 -8.231 0.348 -2.420
204 H TYR 28 H TYR 28 -5.214 2.034 -1.852
205 HA TYR 28 HA TYR 28 -3.831 0.037 -3.510
206 HB2 TYR 28 2HB TYR 28 -3.833 3.028 -3.813
207 HB3 TYR 28 1HB TYR 28 -2.399 2.105 -4.252
208 HD1 TYR 28 1HD TYR 28 -5.971 1.149 -4.770
209 HD2 TYR 28 2HD TYR 28 -2.298 2.354 -6.557
210 HE1 TYR 28 1HE TYR 28 -6.903 0.689 -6.991
211 HE2 TYR 28 2HE TYR 28 -3.230 1.889 -8.775
212 HH TYR 28 HH TYR 28 -5.047 1.331 -9.940
213 H CYS 29 H CYS 29 -1.474 0.124 -3.235
214 HA CYS 29 HA CYS 29 -0.854 0.333 -0.417
215 HB2 CYS 29 2HB CYS 29 0.664 -0.649 -2.831
216 HB3 CYS 29 1HB CYS 29 1.431 -0.495 -1.249
217 H GLY 30 H GLY 30 -0.053 2.084 0.506
218 HA2 GLY 30 2HA GLY 30 2.055 3.629 -0.481
219 HA3 GLY 30 1HA GLY 30 0.553 4.435 -0.920
Start of MODEL 20
1 H1 PCA 1 H PCA 1 5.538 4.840 11.680
2 HA PCA 1 HA PCA 1 7.546 5.951 10.756
3 HB2 PCA 1 1HB PCA 1 9.235 3.618 10.631
4 HB3 PCA 1 2HB PCA 1 9.420 5.020 11.703
5 HG2 PCA 1 1HG PCA 1 8.584 2.368 12.402
6 HG3 PCA 1 2HG PCA 1 8.710 3.791 13.466
7 H ARG 2 H ARG 2 5.247 4.529 9.634
8 HA ARG 2 HA ARG 2 6.037 2.819 7.519
9 HB2 ARG 2 2HB ARG 2 3.536 4.506 7.696
10 HB3 ARG 2 1HB ARG 2 3.781 3.111 6.659
11 HG2 ARG 2 2HG ARG 2 3.823 2.984 9.660
12 HG3 ARG 2 1HG ARG 2 2.380 2.716 8.688
13 HD2 ARG 2 2HD ARG 2 3.145 0.562 9.067
14 HD3 ARG 2 1HD ARG 2 3.809 0.931 7.478
15 HE ARG 2 HE ARG 2 5.858 0.528 8.367
16 HH11 ARG 2 1HH1 ARG 2 3.791 1.604 11.002
17 HH12 ARG 2 2HH1 ARG 2 5.074 1.598 12.176
18 HH21 ARG 2 1HH2 ARG 2 7.521 0.479 9.902
19 HH22 ARG 2 2HH2 ARG 2 7.177 0.917 11.557
20 H ALA 3 H ALA 3 6.253 3.241 5.334
21 HA ALA 3 HA ALA 3 6.058 5.883 4.245
22 HB1 ALA 3 1HB ALA 3 8.806 4.691 4.623
23 HB2 ALA 3 2HB ALA 3 8.182 6.156 5.384
24 HB3 ALA 3 3HB ALA 3 8.437 6.108 3.640
25 H CYS 4 H CYS 4 5.884 5.798 2.042
26 HA CYS 4 HA CYS 4 6.688 3.354 0.666
27 HB2 CYS 4 2HB CYS 4 4.307 3.119 1.488
28 HB3 CYS 4 1HB CYS 4 3.886 4.450 0.420
29 HA PRO 5 HA PRO 5 7.678 6.437 -2.378
30 HB2 PRO 5 2HB PRO 5 8.627 4.815 -4.281
31 HB3 PRO 5 1HB PRO 5 9.496 5.051 -2.759
32 HG2 PRO 5 2HG PRO 5 7.742 2.782 -3.608
33 HG3 PRO 5 1HG PRO 5 9.284 2.739 -2.733
34 HD2 PRO 5 2HD PRO 5 6.810 2.538 -1.536
35 HD3 PRO 5 1HD PRO 5 8.279 3.102 -0.713
36 H ARG 6 H ARG 6 7.557 5.621 -5.149
37 HA ARG 6 HA ARG 6 4.714 6.059 -5.580
38 HB2 ARG 6 2HB ARG 6 6.393 7.474 -6.748
39 HB3 ARG 6 1HB ARG 6 6.980 6.044 -7.584
40 HG2 ARG 6 2HG ARG 6 5.508 7.338 -9.011
41 HG3 ARG 6 1HG ARG 6 4.796 5.765 -8.647
42 HD2 ARG 6 2HD ARG 6 3.122 7.532 -8.510
43 HD3 ARG 6 1HD ARG 6 3.389 6.793 -6.933
44 HE ARG 6 HE ARG 6 4.057 8.822 -6.153
45 HH11 ARG 6 1HH1 ARG 6 4.316 8.885 -9.647
46 HH12 ARG 6 2HH1 ARG 6 4.795 10.547 -9.713
47 HH21 ARG 6 1HH2 ARG 6 4.688 11.022 -6.235
48 HH22 ARG 6 2HH2 ARG 6 5.006 11.767 -7.766
49 H ILE 7 H ILE 7 3.600 4.200 -5.459
50 HA ILE 7 HA ILE 7 4.136 2.175 -7.462
51 HB ILE 7 HB ILE 7 5.383 1.476 -5.355
52 HG12 ILE 7 2HG1 ILE 7 3.174 -0.360 -6.310
53 HG13 ILE 7 1HG1 ILE 7 4.709 -0.107 -7.133
54 HG21 ILE 7 1HG2 ILE 7 3.773 2.237 -3.702
55 HG22 ILE 7 2HG2 ILE 7 4.047 0.501 -3.539
56 HG23 ILE 7 3HG2 ILE 7 2.576 1.093 -4.317
57 HD11 ILE 7 3HD1 ILE 7 5.744 -0.886 -4.889
58 HD12 ILE 7 1HD1 ILE 7 5.064 -2.076 -5.997
59 HD13 ILE 7 2HD1 ILE 7 4.140 -1.555 -4.589
60 H LEU 8 H LEU 8 2.294 0.790 -7.809
61 HA LEU 8 HA LEU 8 -0.182 1.695 -6.534
62 HB2 LEU 8 2HB LEU 8 0.337 1.495 -9.496
63 HB3 LEU 8 1HB LEU 8 -1.277 1.559 -8.812
64 HG LEU 8 HG LEU 8 0.731 3.704 -8.234
65 HD11 LEU 8 1HD1 LEU 8 -1.283 3.901 -10.444
66 HD12 LEU 8 2HD1 LEU 8 0.348 3.299 -10.741
67 HD13 LEU 8 3HD1 LEU 8 0.111 4.933 -10.121
68 HD21 LEU 8 3HD2 LEU 8 -0.982 4.150 -6.838
69 HD22 LEU 8 1HD2 LEU 8 -2.157 3.282 -7.826
70 HD23 LEU 8 2HD2 LEU 8 -1.650 4.909 -8.283
71 H LYS 9 H LYS 9 -0.739 -0.066 -5.476
72 HA LYS 9 HA LYS 9 -1.286 -2.490 -7.002
73 HB2 LYS 9 2HB LYS 9 0.966 -2.814 -6.039
74 HB3 LYS 9 1HB LYS 9 0.348 -2.433 -4.444
75 HG2 LYS 9 2HG LYS 9 -0.832 -4.723 -5.948
76 HG3 LYS 9 1HG LYS 9 0.744 -4.909 -5.177
77 HD2 LYS 9 2HD LYS 9 -0.216 -4.278 -3.028
78 HD3 LYS 9 1HD LYS 9 -1.787 -4.020 -3.788
79 HE2 LYS 9 2HE LYS 9 -2.050 -6.133 -2.919
80 HE3 LYS 9 1HE LYS 9 -1.506 -6.499 -4.554
81 HZ1 LYS 9 3HZ LYS 9 -0.440 -7.637 -2.461
82 HZ2 LYS 9 1HZ LYS 9 0.511 -6.237 -2.445
83 HZ3 LYS 9 2HZ LYS 9 0.505 -7.234 -3.811
84 H LYS 10 H LYS 10 -3.313 -3.146 -6.522
85 HA LYS 10 HA LYS 10 -4.861 -1.808 -4.556
86 HB2 LYS 10 2HB LYS 10 -5.344 -4.149 -6.360
87 HB3 LYS 10 1HB LYS 10 -6.471 -3.826 -5.048
88 HG2 LYS 10 2HG LYS 10 -6.780 -1.543 -5.924
89 HG3 LYS 10 1HG LYS 10 -5.741 -1.951 -7.289
90 HD2 LYS 10 2HD LYS 10 -8.044 -2.178 -7.957
91 HD3 LYS 10 1HD LYS 10 -7.314 -3.783 -7.870
92 HE2 LYS 10 2HE LYS 10 -8.316 -4.126 -5.671
93 HE3 LYS 10 1HE LYS 10 -9.025 -2.513 -5.735
94 HZ1 LYS 10 3HZ LYS 10 -9.777 -4.931 -7.215
95 HZ2 LYS 10 1HZ LYS 10 -10.048 -3.423 -7.934
96 HZ3 LYS 10 2HZ LYS 10 -10.761 -3.791 -6.445
97 H CYS 11 H CYS 11 -4.837 -2.120 -2.464
98 HA CYS 11 HA CYS 11 -3.659 -4.583 -1.440
99 HB2 CYS 11 2HB CYS 11 -3.659 -3.295 0.741
100 HB3 CYS 11 1HB CYS 11 -2.632 -2.669 -0.542
101 H ARG 12 H ARG 12 -4.633 -6.029 -0.244
102 HA ARG 12 HA ARG 12 -7.513 -5.697 0.271
103 HB2 ARG 12 2HB ARG 12 -7.605 -8.130 0.433
104 HB3 ARG 12 1HB ARG 12 -6.843 -7.668 -1.083
105 HG2 ARG 12 2HG ARG 12 -4.625 -7.997 0.119
106 HG3 ARG 12 1HG ARG 12 -5.560 -8.796 1.382
107 HD2 ARG 12 2HD ARG 12 -5.419 -9.589 -1.523
108 HD3 ARG 12 1HD ARG 12 -4.664 -10.431 -0.171
109 HE ARG 12 HE ARG 12 -7.450 -10.225 0.250
110 HH11 ARG 12 1HH1 ARG 12 -5.097 -11.917 -1.696
111 HH12 ARG 12 2HH1 ARG 12 -6.098 -13.311 -1.940
112 HH21 ARG 12 1HH2 ARG 12 -8.795 -12.062 -0.068
113 HH22 ARG 12 2HH2 ARG 12 -8.212 -13.393 -1.008
114 H ARG 13 H ARG 13 -4.787 -5.030 1.629
115 HA ARG 13 HA ARG 13 -5.475 -4.554 4.191
116 HB2 ARG 13 2HB ARG 13 -4.301 -6.359 5.478
117 HB3 ARG 13 1HB ARG 13 -5.808 -6.862 4.738
118 HG2 ARG 13 2HG ARG 13 -4.465 -7.851 2.876
119 HG3 ARG 13 1HG ARG 13 -3.016 -7.485 3.814
120 HD2 ARG 13 2HD ARG 13 -3.802 -9.817 4.098
121 HD3 ARG 13 1HD ARG 13 -3.752 -8.906 5.607
122 HE ARG 13 HE ARG 13 -6.323 -8.668 4.527
123 HH11 ARG 13 1HH1 ARG 13 -4.251 -11.134 5.899
124 HH12 ARG 13 2HH1 ARG 13 -5.561 -12.066 6.542
125 HH21 ARG 13 1HH2 ARG 13 -8.063 -9.892 5.378
126 HH22 ARG 13 2HH2 ARG 13 -7.738 -11.356 6.244
127 H ASP 14 H ASP 14 -3.624 -3.943 5.499
128 HA ASP 14 HA ASP 14 -1.605 -2.724 3.980
129 HB2 ASP 14 2HB ASP 14 -1.589 -3.344 6.940
130 HB3 ASP 14 1HB ASP 14 -0.533 -2.193 6.124
131 H SER 15 H SER 15 -1.729 -5.815 5.595
132 HA SER 15 HA SER 15 1.007 -6.468 5.538
133 HB2 SER 15 2HB SER 15 -1.167 -8.515 5.197
134 HB3 SER 15 1HB SER 15 0.327 -8.629 6.129
135 HG SER 15 HG SER 15 -0.567 -7.080 7.577
136 H ASP 16 H ASP 16 -1.376 -6.307 3.075
137 HA ASP 16 HA ASP 16 -0.050 -8.066 1.201
138 HB2 ASP 16 2HB ASP 16 -2.562 -7.633 1.372
139 HB3 ASP 16 1HB ASP 16 -2.246 -6.066 0.640
140 H CYS 17 H CYS 17 0.406 -4.948 2.296
141 HA CYS 17 HA CYS 17 1.391 -3.868 -0.212
142 HB2 CYS 17 2HB CYS 17 1.107 -2.708 2.558
143 HB3 CYS 17 1HB CYS 17 1.847 -1.832 1.219
144 HA PRO 18 HA PRO 18 5.546 -5.149 0.497
145 HB2 PRO 18 2HB PRO 18 6.789 -3.494 -1.245
146 HB3 PRO 18 1HB PRO 18 5.822 -4.876 -1.770
147 HG2 PRO 18 2HG PRO 18 5.060 -1.983 -1.626
148 HG3 PRO 18 1HG PRO 18 4.749 -3.158 -2.917
149 HD2 PRO 18 2HD PRO 18 2.872 -2.480 -1.091
150 HD3 PRO 18 1HD PRO 18 2.967 -4.103 -1.802
151 H GLY 19 H GLY 19 7.295 -4.591 1.686
152 HA2 GLY 19 2HA GLY 19 8.555 -3.447 3.213
153 HA3 GLY 19 1HA GLY 19 8.350 -2.075 2.137
154 H GLU 20 H GLU 20 7.882 -0.399 3.359
155 HA GLU 20 HA GLU 20 6.148 -0.694 5.678
156 HB2 GLU 20 2HB GLU 20 7.882 1.572 4.690
157 HB3 GLU 20 1HB GLU 20 6.845 1.690 6.105
158 HG2 GLU 20 2HG GLU 20 8.919 -0.456 5.861
159 HG3 GLU 20 1HG GLU 20 9.315 1.153 6.464
160 H CYS 21 H CYS 21 5.187 -0.694 2.786
161 HA CYS 21 HA CYS 21 3.710 1.760 2.508
162 HB2 CYS 21 2HB CYS 21 3.442 -0.877 1.048
163 HB3 CYS 21 1HB CYS 21 2.606 0.605 0.607
164 H ILE 22 H ILE 22 1.529 2.119 2.884
165 HA ILE 22 HA ILE 22 0.190 0.026 4.476
166 HB ILE 22 HB ILE 22 -1.143 1.842 5.518
167 HG12 ILE 22 2HG1 ILE 22 0.855 3.681 4.183
168 HG13 ILE 22 1HG1 ILE 22 -0.839 3.527 3.727
169 HG21 ILE 22 1HG2 ILE 22 0.686 0.951 6.750
170 HG22 ILE 22 2HG2 ILE 22 0.715 2.704 6.953
171 HG23 ILE 22 3HG2 ILE 22 1.846 1.924 5.847
172 HD11 ILE 22 3HD1 ILE 22 -0.942 4.068 6.428
173 HD12 ILE 22 1HD1 ILE 22 -1.215 5.215 5.115
174 HD13 ILE 22 2HD1 ILE 22 0.386 5.073 5.845
175 H CYS 23 H CYS 23 -2.166 -0.033 4.321
176 HA CYS 23 HA CYS 23 -2.969 0.206 1.544
177 HB2 CYS 23 2HB CYS 23 -3.524 -1.776 3.036
178 HB3 CYS 23 1HB CYS 23 -4.662 -0.726 3.871
179 H LYS 24 H LYS 24 -3.264 2.338 1.039
180 HA LYS 24 HA LYS 24 -4.595 4.110 2.860
181 HB2 LYS 24 2HB LYS 24 -4.198 5.823 1.304
182 HB3 LYS 24 1HB LYS 24 -2.815 4.758 1.172
183 HG2 LYS 24 2HG LYS 24 -3.905 3.731 -0.833
184 HG3 LYS 24 1HG LYS 24 -5.120 5.012 -0.740
185 HD2 LYS 24 2HD LYS 24 -3.449 5.715 -2.302
186 HD3 LYS 24 1HD LYS 24 -3.243 6.675 -0.833
187 HE2 LYS 24 2HE LYS 24 -1.631 4.566 -0.298
188 HE3 LYS 24 1HE LYS 24 -1.475 4.660 -2.051
189 HZ1 LYS 24 3HZ LYS 24 -0.077 6.339 -1.791
190 HZ2 LYS 24 1HZ LYS 24 -0.232 6.241 -0.105
191 HZ3 LYS 24 2HZ LYS 24 -1.262 7.249 -1.001
192 H GLY 25 H GLY 25 -6.591 5.194 2.520
193 HA2 GLY 25 2HA GLY 25 -8.803 3.643 2.152
194 HA3 GLY 25 1HA GLY 25 -8.813 5.387 1.966
195 H ASN 26 H ASN 26 -7.005 5.225 -0.362
196 HA ASN 26 HA ASN 26 -8.904 5.181 -2.427
197 HB2 ASN 26 2HB ASN 26 -7.097 6.505 -2.941
198 HB3 ASN 26 1HB ASN 26 -5.939 5.398 -2.221
199 HD21 ASN 26 1HD2 ASN 26 -4.669 4.435 -3.565
200 HD22 ASN 26 2HD2 ASN 26 -4.981 4.073 -5.222
201 H GLY 27 H GLY 27 -7.105 2.648 -0.950
202 HA2 GLY 27 2HA GLY 27 -7.685 0.365 -1.233
203 HA3 GLY 27 1HA GLY 27 -8.265 0.737 -2.850
204 H TYR 28 H TYR 28 -5.358 2.249 -2.213
205 HA TYR 28 HA TYR 28 -3.846 0.072 -3.473
206 HB2 TYR 28 2HB TYR 28 -3.821 2.999 -4.112
207 HB3 TYR 28 1HB TYR 28 -2.384 2.029 -4.387
208 HD1 TYR 28 1HD TYR 28 -6.012 1.312 -4.944
209 HD2 TYR 28 2HD TYR 28 -2.136 1.730 -6.665
210 HE1 TYR 28 1HE TYR 28 -6.899 0.575 -7.112
211 HE2 TYR 28 2HE TYR 28 -3.024 0.992 -8.830
212 HH TYR 28 HH TYR 28 -5.580 1.082 -9.910
213 H CYS 29 H CYS 29 -1.627 0.064 -3.081
214 HA CYS 29 HA CYS 29 -1.000 0.522 -0.316
215 HB2 CYS 29 2HB CYS 29 0.539 -0.638 -2.635
216 HB3 CYS 29 1HB CYS 29 1.240 -0.456 -1.027
217 H GLY 30 H GLY 30 -0.012 2.217 0.535
218 HA2 GLY 30 2HA GLY 30 2.132 3.604 -0.569
219 HA3 GLY 30 1HA GLY 30 0.675 4.474 -1.030
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