Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
599054 | 2n24 RC | 25585 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PCA 1 HN PCA 1 7.510 -2.393 5.711
2 HA PCA 1 HA PCA 1 7.584 -2.371 3.097
3 HB2 PCA 1 2HB PCA 1 5.191 -3.937 2.728
4 HB3 PCA 1 1HB PCA 1 6.865 -4.368 2.260
5 HG2 PCA 1 1HG PCA 1 6.938 -5.881 3.958
6 HG3 PCA 1 2HG PCA 1 5.299 -5.389 4.492
7 H TRP 2 HN TRP 2 7.013 -0.285 3.315
8 HA TRP 2 HA TRP 2 4.451 0.504 4.261
9 HB2 TRP 2 2HB TRP 2 6.411 2.015 4.210
10 HB3 TRP 2 1HB TRP 2 6.352 2.009 2.447
11 HD1 TRP 2 HD TRP 2 4.516 3.318 5.514
12 HE1 TRP 2 1HE TRP 2 2.801 5.092 4.769
13 HE3 TRP 2 3HE TRP 2 4.843 2.783 0.448
14 HZ2 TRP 2 2HZ TRP 2 1.712 6.146 2.343
15 HZ3 TRP 2 3HZ TRP 2 3.458 4.185 -1.057
16 HH2 TRP 2 HH TRP 2 1.894 5.863 -0.116
17 H CYS 3 HN CYS 3 2.540 0.686 3.245
18 HA CYS 3 HA CYS 3 2.471 0.204 0.324
19 HB2 CYS 3 2HB CYS 3 0.464 -0.640 2.427
20 HB3 CYS 3 1HB CYS 3 0.269 -0.859 0.689
21 H GLN 4 HN GLN 4 0.880 1.305 -0.878
22 HA GLN 4 HA GLN 4 0.259 3.902 0.212
23 HB2 GLN 4 2HB GLN 4 -0.831 3.497 -2.412
24 HB3 GLN 4 1HB GLN 4 0.483 4.563 -1.922
25 HG2 GLN 4 2HG GLN 4 2.035 2.595 -2.009
26 HG3 GLN 4 1HG GLN 4 0.701 1.623 -2.632
27 HE21 GLN 4 1HE2 GLN 4 1.013 1.368 -4.845
28 HE22 GLN 4 2HE2 GLN 4 1.483 2.606 -5.907
29 HA PRO 5 HA PRO 5 -4.055 3.423 1.043
30 HB2 PRO 5 2HB PRO 5 -4.865 5.316 -1.093
31 HB3 PRO 5 1HB PRO 5 -5.121 5.413 0.658
32 HG2 PRO 5 2HG PRO 5 -3.366 6.958 -0.632
33 HG3 PRO 5 1HG PRO 5 -3.116 6.421 1.034
34 HD2 PRO 5 2HD PRO 5 -1.785 5.483 -1.470
35 HD3 PRO 5 1HD PRO 5 -1.168 5.584 0.190
36 H GLY 6 HN GLY 6 -5.645 2.037 0.443
37 HA2 GLY 6 2HA GLY 6 -7.072 0.808 -0.927
38 HA3 GLY 6 1HA GLY 6 -6.351 1.592 -2.328
39 H TYR 7 HN TYR 7 -3.821 0.533 -0.527
40 HA TYR 7 HA TYR 7 -3.736 -2.095 -1.874
41 HB2 TYR 7 2HB TYR 7 -1.604 -0.009 -1.589
42 HB3 TYR 7 1HB TYR 7 -1.184 -1.689 -1.838
43 HD1 TYR 7 1HD TYR 7 -3.461 0.947 -3.254
44 HD2 TYR 7 2HD TYR 7 -1.019 -2.505 -3.997
45 HE1 TYR 7 1HE TYR 7 -3.911 1.152 -5.684
46 HE2 TYR 7 2HE TYR 7 -1.480 -2.310 -6.427
47 HH TYR 7 HH TYR 7 -3.156 0.474 -7.755
48 H ALA 8 HN ALA 8 -2.180 -3.598 -0.843
49 HA ALA 8 HA ALA 8 -1.727 -3.153 2.004
50 HB1 ALA 8 1HB ALA 8 -4.004 -4.483 1.245
51 HB2 ALA 8 2HB ALA 8 -3.179 -4.694 2.789
52 HB3 ALA 8 3HB ALA 8 -2.860 -5.809 1.461
53 H TYR 9 HN TYR 9 0.080 -4.170 2.732
54 HA TYR 9 HA TYR 9 2.030 -4.991 1.006
55 HB2 TYR 9 2HB TYR 9 2.559 -4.441 3.307
56 HB3 TYR 9 1HB TYR 9 1.638 -5.833 3.872
57 HD1 TYR 9 2HD TYR 9 4.087 -5.532 1.017
58 HD2 TYR 9 1HD TYR 9 3.160 -7.316 4.818
59 HE1 TYR 9 2HE TYR 9 6.084 -6.970 0.826
60 HE2 TYR 9 1HE TYR 9 5.168 -8.764 4.621
61 HH TYR 9 HH TYR 9 7.435 -8.396 1.915
62 H ASN 10 HN ASN 10 2.644 -6.845 0.043
63 HA ASN 10 HA ASN 10 0.891 -9.194 0.420
64 HB2 ASN 10 2HB ASN 10 1.012 -7.755 -1.824
65 HB3 ASN 10 1HB ASN 10 2.365 -8.826 -2.118
66 HD21 ASN 10 1HD2 ASN 10 1.922 -11.101 -2.421
67 HD22 ASN 10 2HD2 ASN 10 0.344 -11.702 -2.577
68 HA PRO 11 HA PRO 11 5.163 -10.510 1.658
69 HB2 PRO 11 2HB PRO 11 3.786 -12.545 3.228
70 HB3 PRO 11 1HB PRO 11 4.849 -11.248 3.784
71 HG2 PRO 11 2HG PRO 11 2.155 -11.350 4.216
72 HG3 PRO 11 1HG PRO 11 3.123 -9.872 4.231
73 HD2 PRO 11 2HD PRO 11 1.247 -10.873 2.157
74 HD3 PRO 11 1HD PRO 11 1.717 -9.210 2.554
75 H VAL 12 HN VAL 12 2.735 -11.796 -0.207
76 HA VAL 12 HA VAL 12 4.069 -14.403 -0.566
77 HB VAL 12 HB VAL 12 1.406 -13.501 -1.680
78 HG11 VAL 12 1HG1 VAL 12 1.076 -15.974 -1.879
79 HG12 VAL 12 2HG1 VAL 12 2.744 -16.202 -1.355
80 HG13 VAL 12 3HG1 VAL 12 2.403 -15.376 -2.875
81 HG21 VAL 12 3HG2 VAL 12 2.006 -15.127 0.813
82 HG22 VAL 12 1HG2 VAL 12 0.402 -14.764 0.175
83 HG23 VAL 12 2HG2 VAL 12 1.415 -13.465 0.806
84 H LEU 13 HN LEU 13 3.626 -11.336 -1.972
85 HA LEU 13 HA LEU 13 4.656 -12.312 -4.553
86 HB2 LEU 13 2HB LEU 13 2.860 -11.175 -5.315
87 HB3 LEU 13 1HB LEU 13 2.689 -10.253 -3.839
88 HG LEU 13 HG LEU 13 4.526 -8.767 -4.522
89 HD11 LEU 13 1HD1 LEU 13 4.618 -9.529 -7.318
90 HD12 LEU 13 2HD1 LEU 13 5.105 -10.896 -6.329
91 HD13 LEU 13 3HD1 LEU 13 5.967 -9.367 -6.195
92 HD21 LEU 13 3HD2 LEU 13 3.388 -7.732 -6.485
93 HD22 LEU 13 1HD2 LEU 13 2.304 -8.103 -5.150
94 HD23 LEU 13 2HD2 LEU 13 2.324 -9.139 -6.572
95 H GLY 14 HN GLY 14 5.022 -9.850 -2.035
96 HA2 GLY 14 2HA GLY 14 7.372 -9.442 -1.323
97 HA3 GLY 14 1HA GLY 14 7.760 -9.320 -3.033
98 H ILE 15 HN ILE 15 4.815 -7.867 -2.811
99 HA ILE 15 HA ILE 15 5.763 -5.289 -1.813
100 HB ILE 15 HB ILE 15 5.027 -4.119 -3.887
101 HG12 ILE 15 2HG1 ILE 15 5.273 -6.682 -5.407
102 HG13 ILE 15 1HG1 ILE 15 3.754 -6.387 -4.575
103 HG21 ILE 15 1HG2 ILE 15 7.432 -4.817 -3.370
104 HG22 ILE 15 2HG2 ILE 15 7.073 -4.501 -5.067
105 HG23 ILE 15 3HG2 ILE 15 7.178 -6.162 -4.482
106 HD11 ILE 15 3HD1 ILE 15 3.227 -4.555 -5.875
107 HD12 ILE 15 1HD1 ILE 15 4.131 -5.516 -7.046
108 HD13 ILE 15 2HD1 ILE 15 4.918 -4.172 -6.214
109 H CYS 16 HN CYS 16 3.722 -3.664 -2.635
110 HA CYS 16 HA CYS 16 1.471 -4.799 -1.173
111 HB2 CYS 16 2HB CYS 16 1.781 -1.988 -2.229
112 HB3 CYS 16 1HB CYS 16 0.702 -2.559 -0.960
113 H THR 17 HN THR 17 -0.506 -5.082 -1.982
114 HA THR 17 HA THR 17 -0.896 -4.623 -4.880
115 HB THR 17 HB THR 17 -2.080 -6.758 -5.040
116 HG1 THR 17 1HG THR 17 -2.816 -7.273 -3.103
117 HG21 THR 17 3HG2 THR 17 0.215 -6.867 -5.629
118 HG22 THR 17 1HG2 THR 17 -0.057 -8.246 -4.565
119 HG23 THR 17 2HG2 THR 17 0.728 -6.794 -3.944
120 H ILE 18 HN ILE 18 -3.098 -4.343 -5.535
121 HA ILE 18 HA ILE 18 -4.595 -2.721 -3.860
122 HB ILE 18 HB ILE 18 -4.700 -2.969 -6.411
123 HG12 ILE 18 2HG1 ILE 18 -7.428 -2.991 -5.141
124 HG13 ILE 18 1HG1 ILE 18 -6.314 -1.673 -4.803
125 HG21 ILE 18 1HG2 ILE 18 -6.109 -4.625 -7.319
126 HG22 ILE 18 2HG2 ILE 18 -6.854 -4.969 -5.756
127 HG23 ILE 18 3HG2 ILE 18 -5.199 -5.492 -6.082
128 HD11 ILE 18 3HD1 ILE 18 -6.441 -0.830 -6.896
129 HD12 ILE 18 1HD1 ILE 18 -7.999 -1.654 -6.900
130 HD13 ILE 18 2HD1 ILE 18 -6.596 -2.417 -7.649
131 H THR 19 HN THR 19 -6.066 -3.070 -2.343
132 HA THR 19 HA THR 19 -6.557 -5.800 -1.490
133 HB THR 19 HB THR 19 -6.194 -4.481 0.368
134 HG1 THR 19 1HG THR 19 -8.889 -3.851 0.321
135 HG21 THR 19 3HG2 THR 19 -7.519 -2.186 0.485
136 HG22 THR 19 1HG2 THR 19 -7.496 -2.349 -1.271
137 HG23 THR 19 2HG2 THR 19 -5.980 -2.306 -0.366
138 H LEU 20 HN LEU 20 -8.647 -6.690 -1.170
139 HA LEU 20 HA LEU 20 -10.432 -6.346 -3.306
140 HB2 LEU 20 2HB LEU 20 -10.522 -7.791 -0.694
141 HB3 LEU 20 1HB LEU 20 -11.982 -7.652 -1.668
142 HG LEU 20 HG LEU 20 -10.747 -8.587 -3.618
143 HD11 LEU 20 1HD1 LEU 20 -8.482 -8.003 -3.173
144 HD12 LEU 20 2HD1 LEU 20 -8.544 -9.755 -2.978
145 HD13 LEU 20 3HD1 LEU 20 -8.536 -8.708 -1.557
146 HD21 LEU 20 3HD2 LEU 20 -10.178 -10.811 -2.060
147 HD22 LEU 20 1HD2 LEU 20 -11.735 -10.417 -2.788
148 HD23 LEU 20 2HD2 LEU 20 -11.393 -9.936 -1.127
149 H SER 21 HN SER 21 -10.191 -4.789 -0.219
150 HA SER 21 HA SER 21 -12.801 -3.881 0.161
151 HB2 SER 21 2HB SER 21 -11.794 -2.076 1.480
152 HB3 SER 21 1HB SER 21 -11.001 -3.611 1.821
153 HG SER 21 HG SER 21 -9.739 -1.540 1.251
154 H ARG 22 HN ARG 22 -10.254 -2.676 -1.956
155 HA ARG 22 HA ARG 22 -11.439 -0.209 -2.643
156 HB2 ARG 22 2HB ARG 22 -9.119 -0.613 -3.165
157 HB3 ARG 22 1HB ARG 22 -9.542 -1.985 -4.194
158 HG2 ARG 22 2HG ARG 22 -10.321 -0.647 -5.899
159 HG3 ARG 22 1HG ARG 22 -10.827 0.641 -4.808
160 HD2 ARG 22 2HD ARG 22 -7.915 -0.015 -5.222
161 HD3 ARG 22 1HD ARG 22 -8.764 1.091 -6.296
162 HE ARG 22 HE ARG 22 -9.191 1.828 -3.582
163 HH11 ARG 22 1HH2 ARG 22 -6.814 1.777 -6.096
164 HH12 ARG 22 2HH2 ARG 22 -5.953 3.156 -5.498
165 HH21 ARG 22 1HH1 ARG 22 -8.067 3.636 -2.793
166 HH22 ARG 22 2HH1 ARG 22 -6.662 4.209 -3.629
167 H ILE 23 HN ILE 23 -11.782 -3.453 -4.014
168 HA ILE 23 HA ILE 23 -13.141 -2.976 -6.344
169 HB ILE 23 HB ILE 23 -13.755 -5.116 -4.299
170 HG12 ILE 23 2HG1 ILE 23 -12.013 -5.241 -6.776
171 HG13 ILE 23 1HG1 ILE 23 -11.373 -4.929 -5.162
172 HG21 ILE 23 1HG2 ILE 23 -14.260 -6.154 -6.790
173 HG22 ILE 23 2HG2 ILE 23 -14.831 -4.495 -6.968
174 HG23 ILE 23 3HG2 ILE 23 -15.493 -5.526 -5.698
175 HD11 ILE 23 3HD1 ILE 23 -12.469 -7.073 -4.402
176 HD12 ILE 23 1HD1 ILE 23 -11.173 -7.301 -5.577
177 HD13 ILE 23 2HD1 ILE 23 -12.856 -7.402 -6.091
178 H GLU 24 HN GLU 24 -15.343 -4.342 -4.087
179 HA GLU 24 HA GLU 24 -17.052 -1.930 -4.230
180 HB2 GLU 24 2HB GLU 24 -17.830 -4.821 -4.635
181 HB3 GLU 24 1HB GLU 24 -18.996 -3.526 -4.364
182 HG2 GLU 24 2HG GLU 24 -18.219 -2.347 -6.350
183 HG3 GLU 24 1HG GLU 24 -16.944 -3.540 -6.593
184 H HIS 25 HN HIS 25 -16.466 -1.314 -2.124
185 HA HIS 25 HA HIS 25 -17.886 -2.791 -0.045
186 HB2 HIS 25 2HB HIS 25 -14.958 -2.092 0.274
187 HB3 HIS 25 1HB HIS 25 -15.988 -2.925 1.440
188 HD2 HIS 25 2HD HIS 25 -14.364 -3.672 -2.096
189 HE1 HIS 25 1HE HIS 25 -15.589 -7.323 -0.370
190 HE2 HIS 25 2HE HIS 25 -14.358 -6.272 -2.325
191 HA PRO 26 HA PRO 26 -18.198 1.898 -0.044
192 HB2 PRO 26 2HB PRO 26 -20.927 1.064 0.828
193 HB3 PRO 26 1HB PRO 26 -20.442 2.319 -0.328
194 HG2 PRO 26 2HG PRO 26 -21.465 0.011 -1.153
195 HG3 PRO 26 1HG PRO 26 -20.168 0.820 -2.053
196 HD2 PRO 26 2HD PRO 26 -20.013 -1.596 -0.286
197 HD3 PRO 26 1HD PRO 26 -19.089 -1.207 -1.755
198 H GLY 27 HN GLY 27 -19.361 -0.575 2.219
199 HA2 GLY 27 2HA GLY 27 -19.583 1.048 4.510
200 HA3 GLY 27 1HA GLY 27 -19.332 -0.695 4.517
201 H ASN 28 HN ASN 28 -16.848 -0.764 3.167
202 HA ASN 28 HA ASN 28 -15.059 -0.379 5.307
203 HB2 ASN 28 2HB ASN 28 -14.692 -2.011 3.490
204 HB3 ASN 28 1HB ASN 28 -14.418 -0.677 2.372
205 HD21 ASN 28 1HD2 ASN 28 -12.567 -2.879 3.599
206 HD22 ASN 28 2HD2 ASN 28 -11.221 -1.992 4.128
207 H TYR 29 HN TYR 29 -15.643 1.510 2.376
208 HA TYR 29 HA TYR 29 -14.204 3.766 3.636
209 HB2 TYR 29 2HB TYR 29 -13.293 4.432 1.522
210 HB3 TYR 29 1HB TYR 29 -12.903 2.728 1.760
211 HD1 TYR 29 1HD TYR 29 -14.455 0.986 0.731
212 HD2 TYR 29 2HD TYR 29 -14.535 5.137 -0.361
213 HE1 TYR 29 1HE TYR 29 -15.654 0.413 -1.357
214 HE2 TYR 29 2HE TYR 29 -15.731 4.562 -2.452
215 HH TYR 29 HH TYR 29 -17.180 1.567 -2.984
216 H ASP 30 HN ASP 30 -16.873 3.489 4.066
217 HA ASP 30 HA ASP 30 -18.585 4.645 2.169
218 HB2 ASP 30 2HB ASP 30 -19.352 3.478 4.216
219 HB3 ASP 30 1HB ASP 30 -18.774 4.832 5.185
220 H TYR 31 HN TYR 31 -16.640 6.140 4.735
221 HA TYR 31 HA TYR 31 -17.467 8.722 4.748
222 HB2 TYR 31 2HB TYR 31 -15.606 8.079 6.111
223 HB3 TYR 31 1HB TYR 31 -14.635 7.668 4.695
224 HD1 TYR 31 2HD TYR 31 -16.398 10.524 6.346
225 HD2 TYR 31 1HD TYR 31 -13.278 9.294 3.663
226 HE1 TYR 31 2HE TYR 31 -15.579 12.861 6.227
227 HE2 TYR 31 1HE TYR 31 -12.458 11.633 3.545
228 HH TYR 31 HH TYR 31 -14.102 14.192 4.241
Start of MODEL 2
1 H1 PCA 1 HN PCA 1 7.659 -2.466 5.530
2 HA PCA 1 HA PCA 1 7.748 -2.396 2.916
3 HB2 PCA 1 2HB PCA 1 5.314 -3.899 2.519
4 HB3 PCA 1 1HB PCA 1 6.976 -4.351 2.027
5 HG2 PCA 1 1HG PCA 1 7.057 -5.892 3.699
6 HG3 PCA 1 2HG PCA 1 5.410 -5.418 4.225
7 H TRP 2 HN TRP 2 7.217 -0.307 3.105
8 HA TRP 2 HA TRP 2 4.713 0.559 4.118
9 HB2 TRP 2 2HB TRP 2 6.716 2.012 3.961
10 HB3 TRP 2 1HB TRP 2 6.568 1.991 2.203
11 HD1 TRP 2 HD TRP 2 4.913 3.364 5.345
12 HE1 TRP 2 1HE TRP 2 3.215 5.181 4.669
13 HE3 TRP 2 3HE TRP 2 4.994 2.801 0.271
14 HZ2 TRP 2 2HZ TRP 2 2.045 6.256 2.289
15 HZ3 TRP 2 3HZ TRP 2 3.580 4.235 -1.176
16 HH2 TRP 2 HH TRP 2 2.106 5.958 -0.174
17 H CYS 3 HN CYS 3 2.764 0.740 3.182
18 HA CYS 3 HA CYS 3 2.572 0.262 0.263
19 HB2 CYS 3 2HB CYS 3 0.637 -0.563 2.437
20 HB3 CYS 3 1HB CYS 3 0.391 -0.792 0.707
21 H GLN 4 HN GLN 4 0.932 1.394 -0.868
22 HA GLN 4 HA GLN 4 0.296 3.952 0.312
23 HB2 GLN 4 2HB GLN 4 -0.839 3.643 -2.287
24 HB3 GLN 4 1HB GLN 4 0.513 4.666 -1.802
25 HG2 GLN 4 2HG GLN 4 2.027 2.694 -2.019
26 HG3 GLN 4 1HG GLN 4 0.661 1.743 -2.600
27 HE21 GLN 4 1HE2 GLN 4 1.058 1.482 -4.814
28 HE22 GLN 4 2HE2 GLN 4 1.410 2.757 -5.879
29 HA PRO 5 HA PRO 5 -3.979 3.362 1.251
30 HB2 PRO 5 2HB PRO 5 -4.830 5.376 -0.752
31 HB3 PRO 5 1HB PRO 5 -5.063 5.364 1.005
32 HG2 PRO 5 2HG PRO 5 -3.324 6.994 -0.215
33 HG3 PRO 5 1HG PRO 5 -3.060 6.362 1.417
34 HD2 PRO 5 2HD PRO 5 -1.744 5.587 -1.149
35 HD3 PRO 5 1HD PRO 5 -1.122 5.565 0.513
36 H GLY 6 HN GLY 6 -5.578 2.006 0.605
37 HA2 GLY 6 2HA GLY 6 -7.066 0.921 -0.840
38 HA3 GLY 6 1HA GLY 6 -6.275 1.709 -2.200
39 H TYR 7 HN TYR 7 -3.773 0.565 -0.492
40 HA TYR 7 HA TYR 7 -3.791 -2.062 -1.845
41 HB2 TYR 7 2HB TYR 7 -1.598 -0.058 -1.516
42 HB3 TYR 7 1HB TYR 7 -1.231 -1.742 -1.804
43 HD1 TYR 7 2HD TYR 7 -3.403 1.012 -3.137
44 HD2 TYR 7 1HD TYR 7 -1.107 -2.516 -3.991
45 HE1 TYR 7 2HE TYR 7 -3.852 1.307 -5.559
46 HE2 TYR 7 1HE TYR 7 -1.565 -2.226 -6.415
47 HH TYR 7 HH TYR 7 -3.903 -0.021 -7.594
48 H ALA 8 HN ALA 8 -2.328 -3.651 -0.846
49 HA ALA 8 HA ALA 8 -1.902 -3.258 2.029
50 HB1 ALA 8 1HB ALA 8 -4.151 -4.402 1.561
51 HB2 ALA 8 2HB ALA 8 -3.051 -5.223 2.669
52 HB3 ALA 8 3HB ALA 8 -3.200 -5.780 1.002
53 H TYR 9 HN TYR 9 -0.019 -4.100 2.712
54 HA TYR 9 HA TYR 9 1.976 -4.907 1.024
55 HB2 TYR 9 2HB TYR 9 2.568 -4.298 3.239
56 HB3 TYR 9 1HB TYR 9 1.533 -5.544 3.931
57 HD1 TYR 9 1HD TYR 9 3.960 -5.767 1.066
58 HD2 TYR 9 2HD TYR 9 2.975 -7.011 5.061
59 HE1 TYR 9 1HE TYR 9 5.836 -7.361 1.024
60 HE2 TYR 9 2HE TYR 9 4.862 -8.616 5.020
61 HH TYR 9 HH TYR 9 7.317 -8.508 2.734
62 H ASN 10 HN ASN 10 2.598 -6.745 0.040
63 HA ASN 10 HA ASN 10 0.984 -9.152 0.555
64 HB2 ASN 10 2HB ASN 10 0.993 -7.791 -1.744
65 HB3 ASN 10 1HB ASN 10 2.334 -8.880 -2.042
66 HD21 ASN 10 1HD2 ASN 10 1.877 -11.179 -2.164
67 HD22 ASN 10 2HD2 ASN 10 0.290 -11.766 -2.269
68 HA PRO 11 HA PRO 11 5.298 -10.395 1.583
69 HB2 PRO 11 2HB PRO 11 4.608 -12.287 3.430
70 HB3 PRO 11 1HB PRO 11 4.776 -10.565 3.795
71 HG2 PRO 11 2HG PRO 11 2.342 -12.180 3.438
72 HG3 PRO 11 1HG PRO 11 2.618 -10.773 4.464
73 HD2 PRO 11 2HD PRO 11 1.270 -10.745 2.038
74 HD3 PRO 11 1HD PRO 11 1.962 -9.317 2.823
75 H VAL 12 HN VAL 12 2.826 -11.819 -0.068
76 HA VAL 12 HA VAL 12 4.211 -14.404 -0.388
77 HB VAL 12 HB VAL 12 1.475 -13.594 -1.395
78 HG11 VAL 12 1HG1 VAL 12 2.941 -16.236 -1.164
79 HG12 VAL 12 2HG1 VAL 12 2.419 -15.438 -2.647
80 HG13 VAL 12 3HG1 VAL 12 1.222 -16.098 -1.534
81 HG21 VAL 12 3HG2 VAL 12 0.609 -14.899 0.509
82 HG22 VAL 12 1HG2 VAL 12 1.590 -13.549 1.081
83 HG23 VAL 12 2HG2 VAL 12 2.257 -15.181 1.072
84 H LEU 13 HN LEU 13 3.618 -11.390 -1.875
85 HA LEU 13 HA LEU 13 4.552 -12.431 -4.464
86 HB2 LEU 13 2HB LEU 13 2.708 -11.307 -5.182
87 HB3 LEU 13 1HB LEU 13 2.603 -10.345 -3.719
88 HG LEU 13 HG LEU 13 4.419 -8.889 -4.516
89 HD11 LEU 13 1HD1 LEU 13 5.786 -9.539 -6.221
90 HD12 LEU 13 2HD1 LEU 13 4.403 -9.732 -7.298
91 HD13 LEU 13 3HD1 LEU 13 4.916 -11.067 -6.277
92 HD21 LEU 13 3HD2 LEU 13 2.169 -8.233 -5.071
93 HD22 LEU 13 1HD2 LEU 13 2.154 -9.287 -6.482
94 HD23 LEU 13 2HD2 LEU 13 3.213 -7.878 -6.440
95 H GLY 14 HN GLY 14 4.983 -9.830 -2.079
96 HA2 GLY 14 2HA GLY 14 7.357 -9.423 -1.462
97 HA3 GLY 14 1HA GLY 14 7.693 -9.365 -3.186
98 H ILE 15 HN ILE 15 4.724 -7.912 -2.724
99 HA ILE 15 HA ILE 15 5.689 -5.297 -1.911
100 HB ILE 15 HB ILE 15 4.878 -4.218 -4.016
101 HG12 ILE 15 2HG1 ILE 15 5.143 -6.856 -5.418
102 HG13 ILE 15 1HG1 ILE 15 3.632 -6.531 -4.580
103 HG21 ILE 15 1HG2 ILE 15 7.064 -6.226 -4.601
104 HG22 ILE 15 2HG2 ILE 15 7.314 -4.860 -3.517
105 HG23 ILE 15 3HG2 ILE 15 6.912 -4.578 -5.210
106 HD11 ILE 15 3HD1 ILE 15 4.005 -5.776 -7.106
107 HD12 ILE 15 1HD1 ILE 15 4.729 -4.373 -6.320
108 HD13 ILE 15 2HD1 ILE 15 3.052 -4.806 -5.981
109 H CYS 16 HN CYS 16 3.676 -3.693 -2.605
110 HA CYS 16 HA CYS 16 1.423 -4.820 -1.153
111 HB2 CYS 16 2HB CYS 16 1.662 -2.014 -2.223
112 HB3 CYS 16 1HB CYS 16 0.680 -2.595 -0.879
113 H THR 17 HN THR 17 -0.580 -5.137 -1.956
114 HA THR 17 HA THR 17 -0.983 -4.637 -4.846
115 HB THR 17 HB THR 17 -2.185 -6.765 -5.007
116 HG1 THR 17 1HG THR 17 -2.151 -8.166 -3.244
117 HG21 THR 17 3HG2 THR 17 0.626 -6.812 -3.925
118 HG22 THR 17 1HG2 THR 17 0.101 -6.910 -5.605
119 HG23 THR 17 2HG2 THR 17 -0.173 -8.269 -4.514
120 H ILE 18 HN ILE 18 -3.143 -4.262 -5.496
121 HA ILE 18 HA ILE 18 -4.653 -2.685 -3.768
122 HB ILE 18 HB ILE 18 -4.691 -2.865 -6.357
123 HG12 ILE 18 2HG1 ILE 18 -7.371 -2.648 -4.967
124 HG13 ILE 18 1HG1 ILE 18 -6.135 -1.399 -4.820
125 HG21 ILE 18 1HG2 ILE 18 -6.274 -4.348 -7.303
126 HG22 ILE 18 2HG2 ILE 18 -7.001 -4.707 -5.736
127 HG23 ILE 18 3HG2 ILE 18 -5.395 -5.332 -6.135
128 HD11 ILE 18 3HD1 ILE 18 -6.545 -0.604 -6.866
129 HD12 ILE 18 1HD1 ILE 18 -8.010 -1.582 -6.841
130 HD13 ILE 18 2HD1 ILE 18 -6.541 -2.217 -7.581
131 H THR 19 HN THR 19 -6.185 -3.086 -2.318
132 HA THR 19 HA THR 19 -6.694 -5.847 -1.598
133 HB THR 19 HB THR 19 -6.444 -4.622 0.329
134 HG1 THR 19 1HG THR 19 -8.635 -4.098 1.079
135 HG21 THR 19 3HG2 THR 19 -7.675 -2.398 -1.263
136 HG22 THR 19 1HG2 THR 19 -6.139 -2.427 -0.393
137 HG23 THR 19 2HG2 THR 19 -7.657 -2.297 0.497
138 H LEU 20 HN LEU 20 -8.646 -6.903 -1.691
139 HA LEU 20 HA LEU 20 -10.399 -6.328 -3.785
140 HB2 LEU 20 2HB LEU 20 -10.332 -8.207 -1.523
141 HB3 LEU 20 1HB LEU 20 -11.937 -7.862 -2.173
142 HG LEU 20 HG LEU 20 -11.146 -8.407 -4.446
143 HD11 LEU 20 1HD1 LEU 20 -8.546 -8.431 -3.021
144 HD12 LEU 20 2HD1 LEU 20 -8.903 -8.048 -4.705
145 HD13 LEU 20 3HD1 LEU 20 -8.778 -9.730 -4.191
146 HD21 LEU 20 3HD2 LEU 20 -11.316 -10.223 -2.214
147 HD22 LEU 20 1HD2 LEU 20 -10.203 -10.850 -3.427
148 HD23 LEU 20 2HD2 LEU 20 -11.861 -10.449 -3.875
149 H SER 21 HN SER 21 -10.384 -5.260 -0.476
150 HA SER 21 HA SER 21 -13.050 -4.487 -0.152
151 HB2 SER 21 2HB SER 21 -11.433 -4.471 1.693
152 HB3 SER 21 1HB SER 21 -10.552 -3.155 0.924
153 HG SER 21 HG SER 21 -11.932 -2.229 2.376
154 H ARG 22 HN ARG 22 -10.345 -2.830 -1.706
155 HA ARG 22 HA ARG 22 -11.533 -0.320 -2.085
156 HB2 ARG 22 2HB ARG 22 -9.136 -0.796 -2.495
157 HB3 ARG 22 1HB ARG 22 -9.581 -1.744 -3.917
158 HG2 ARG 22 2HG ARG 22 -10.519 0.194 -5.007
159 HG3 ARG 22 1HG ARG 22 -10.362 1.163 -3.541
160 HD2 ARG 22 2HD ARG 22 -7.933 1.001 -3.657
161 HD3 ARG 22 1HD ARG 22 -8.044 -0.056 -5.054
162 HE ARG 22 HE ARG 22 -9.407 2.273 -5.727
163 HH11 ARG 22 1HH2 ARG 22 -6.225 1.305 -4.773
164 HH12 ARG 22 2HH2 ARG 22 -5.427 2.564 -5.656
165 HH21 ARG 22 1HH1 ARG 22 -8.368 3.927 -6.887
166 HH22 ARG 22 2HH1 ARG 22 -6.641 4.048 -6.852
167 H ILE 23 HN ILE 23 -11.724 -3.297 -3.984
168 HA ILE 23 HA ILE 23 -13.095 -2.219 -6.208
169 HB ILE 23 HB ILE 23 -13.295 -5.030 -5.145
170 HG12 ILE 23 2HG1 ILE 23 -10.939 -4.436 -5.314
171 HG13 ILE 23 1HG1 ILE 23 -11.365 -5.495 -6.658
172 HG21 ILE 23 1HG2 ILE 23 -14.897 -4.536 -6.915
173 HG22 ILE 23 2HG2 ILE 23 -13.616 -5.563 -7.558
174 HG23 ILE 23 3HG2 ILE 23 -13.613 -3.833 -7.899
175 HD11 ILE 23 3HD1 ILE 23 -10.166 -3.794 -7.741
176 HD12 ILE 23 1HD1 ILE 23 -10.810 -2.536 -6.688
177 HD13 ILE 23 2HD1 ILE 23 -11.825 -3.244 -7.938
178 H GLU 24 HN GLU 24 -14.904 -4.741 -4.746
179 HA GLU 24 HA GLU 24 -16.927 -2.952 -3.633
180 HB2 GLU 24 2HB GLU 24 -17.433 -4.746 -6.014
181 HB3 GLU 24 1HB GLU 24 -18.713 -4.019 -5.042
182 HG2 GLU 24 2HG GLU 24 -17.727 -1.766 -5.531
183 HG3 GLU 24 1HG GLU 24 -16.589 -2.547 -6.622
184 H HIS 25 HN HIS 25 -16.017 -4.201 -1.773
185 HA HIS 25 HA HIS 25 -17.684 -6.570 -1.328
186 HB2 HIS 25 2HB HIS 25 -14.689 -6.535 -0.910
187 HB3 HIS 25 1HB HIS 25 -15.774 -7.822 -0.383
188 HD2 HIS 25 2HD HIS 25 -14.145 -6.512 -3.677
189 HE1 HIS 25 1HE HIS 25 -16.444 -9.905 -4.657
190 HE2 HIS 25 2HE HIS 25 -14.749 -8.239 -5.540
191 HA PRO 26 HA PRO 26 -17.439 -3.457 2.188
192 HB2 PRO 26 2HB PRO 26 -20.371 -3.918 2.157
193 HB3 PRO 26 1HB PRO 26 -19.469 -2.392 2.205
194 HG2 PRO 26 2HG PRO 26 -20.752 -3.175 0.011
195 HG3 PRO 26 1HG PRO 26 -19.201 -2.320 -0.074
196 HD2 PRO 26 2HD PRO 26 -19.759 -5.251 -0.434
197 HD3 PRO 26 1HD PRO 26 -18.639 -4.194 -1.321
198 H GLY 27 HN GLY 27 -19.341 -6.416 1.766
199 HA2 GLY 27 2HA GLY 27 -19.802 -7.001 4.479
200 HA3 GLY 27 1HA GLY 27 -19.776 -8.182 3.174
201 H ASN 28 HN ASN 28 -17.150 -7.972 2.309
202 HA ASN 28 HA ASN 28 -15.793 -9.597 4.178
203 HB2 ASN 28 2HB ASN 28 -14.852 -8.116 1.728
204 HB3 ASN 28 1HB ASN 28 -13.812 -9.187 2.663
205 HD21 ASN 28 1HD2 ASN 28 -15.065 -11.444 3.134
206 HD22 ASN 28 2HD2 ASN 28 -15.790 -12.125 1.759
207 H TYR 29 HN TYR 29 -15.572 -6.162 3.389
208 HA TYR 29 HA TYR 29 -14.014 -5.772 5.873
209 HB2 TYR 29 2HB TYR 29 -13.509 -4.297 3.276
210 HB3 TYR 29 1HB TYR 29 -12.599 -4.142 4.781
211 HD1 TYR 29 1HD TYR 29 -13.358 -6.347 1.922
212 HD2 TYR 29 2HD TYR 29 -11.012 -5.838 5.483
213 HE1 TYR 29 1HE TYR 29 -11.915 -8.246 1.241
214 HE2 TYR 29 2HE TYR 29 -9.565 -7.732 4.801
215 HH TYR 29 HH TYR 29 -9.358 -8.902 1.810
216 H ASP 30 HN ASP 30 -16.327 -5.349 6.549
217 HA ASP 30 HA ASP 30 -17.785 -3.131 5.608
218 HB2 ASP 30 2HB ASP 30 -18.716 -4.911 7.070
219 HB3 ASP 30 1HB ASP 30 -17.758 -4.277 8.408
220 H TYR 31 HN TYR 31 -15.392 -3.428 8.213
221 HA TYR 31 HA TYR 31 -15.502 -0.990 9.423
222 HB2 TYR 31 2HB TYR 31 -13.009 -2.477 8.563
223 HB3 TYR 31 1HB TYR 31 -13.043 -1.166 9.743
224 HD1 TYR 31 2HD TYR 31 -14.073 -1.465 11.941
225 HD2 TYR 31 1HD TYR 31 -13.985 -4.661 9.072
226 HE1 TYR 31 2HE TYR 31 -14.697 -3.078 13.718
227 HE2 TYR 31 1HE TYR 31 -14.608 -6.274 10.850
228 HH TYR 31 HH TYR 31 -14.231 -5.987 13.804
Start of MODEL 3
1 H1 PCA 1 HN PCA 1 8.326 -1.595 4.160
2 HA PCA 1 HA PCA 1 6.812 -3.211 2.731
3 HB2 PCA 1 2HB PCA 1 5.065 -3.837 4.972
4 HB3 PCA 1 1HB PCA 1 6.041 -4.961 3.975
5 HG2 PCA 1 1HG PCA 1 7.555 -5.165 5.659
6 HG3 PCA 1 2HG PCA 1 6.584 -4.046 6.667
7 H TRP 2 HN TRP 2 6.950 -0.445 3.410
8 HA TRP 2 HA TRP 2 4.411 0.457 4.285
9 HB2 TRP 2 2HB TRP 2 6.418 1.896 4.226
10 HB3 TRP 2 1HB TRP 2 6.391 1.842 2.464
11 HD1 TRP 2 HD TRP 2 4.553 3.307 5.458
12 HE1 TRP 2 1HE TRP 2 2.921 5.123 4.631
13 HE3 TRP 2 3HE TRP 2 4.947 2.614 0.415
14 HZ2 TRP 2 2HZ TRP 2 1.916 6.148 2.155
15 HZ3 TRP 2 3HZ TRP 2 3.643 4.024 -1.155
16 HH2 TRP 2 HH TRP 2 2.129 5.788 -0.291
17 H CYS 3 HN CYS 3 2.511 0.661 3.257
18 HA CYS 3 HA CYS 3 2.455 0.180 0.335
19 HB2 CYS 3 2HB CYS 3 0.435 -0.682 2.417
20 HB3 CYS 3 1HB CYS 3 0.254 -0.890 0.675
21 H GLN 4 HN GLN 4 0.799 1.245 -0.852
22 HA GLN 4 HA GLN 4 0.138 3.833 0.267
23 HB2 GLN 4 2HB GLN 4 -0.904 3.474 -2.372
24 HB3 GLN 4 1HB GLN 4 0.410 4.526 -1.849
25 HG2 GLN 4 2HG GLN 4 1.962 2.576 -1.968
26 HG3 GLN 4 1HG GLN 4 0.636 1.595 -2.596
27 HE21 GLN 4 1HE2 GLN 4 2.639 1.658 -4.349
28 HE22 GLN 4 2HE2 GLN 4 2.382 2.776 -5.601
29 HA PRO 5 HA PRO 5 -4.168 3.304 1.055
30 HB2 PRO 5 2HB PRO 5 -4.933 5.231 -1.067
31 HB3 PRO 5 1HB PRO 5 -5.250 5.287 0.677
32 HG2 PRO 5 2HG PRO 5 -3.455 6.870 -0.509
33 HG3 PRO 5 1HG PRO 5 -3.255 6.283 1.147
34 HD2 PRO 5 2HD PRO 5 -1.852 5.430 -1.347
35 HD3 PRO 5 1HD PRO 5 -1.282 5.466 0.334
36 H GLY 6 HN GLY 6 -5.716 1.906 0.412
37 HA2 GLY 6 2HA GLY 6 -7.121 0.699 -1.004
38 HA3 GLY 6 1HA GLY 6 -6.387 1.518 -2.380
39 H TYR 7 HN TYR 7 -3.891 0.429 -0.514
40 HA TYR 7 HA TYR 7 -3.753 -2.178 -1.900
41 HB2 TYR 7 2HB TYR 7 -1.649 -0.072 -1.592
42 HB3 TYR 7 1HB TYR 7 -1.208 -1.740 -1.864
43 HD1 TYR 7 2HD TYR 7 -3.486 0.914 -3.225
44 HD2 TYR 7 1HD TYR 7 -1.051 -2.525 -4.040
45 HE1 TYR 7 2HE TYR 7 -3.944 1.168 -5.649
46 HE2 TYR 7 1HE TYR 7 -1.520 -2.282 -6.468
47 HH TYR 7 HH TYR 7 -3.882 0.001 -7.662
48 H ALA 8 HN ALA 8 -2.263 -3.697 -0.875
49 HA ALA 8 HA ALA 8 -1.773 -3.234 1.973
50 HB1 ALA 8 1HB ALA 8 -2.693 -5.842 1.969
51 HB2 ALA 8 2HB ALA 8 -3.825 -5.022 0.895
52 HB3 ALA 8 3HB ALA 8 -3.593 -4.437 2.543
53 H TYR 9 HN TYR 9 0.075 -4.158 2.670
54 HA TYR 9 HA TYR 9 2.039 -4.972 0.966
55 HB2 TYR 9 2HB TYR 9 2.566 -4.383 3.246
56 HB3 TYR 9 1HB TYR 9 1.657 -5.769 3.845
57 HD1 TYR 9 2HD TYR 9 4.074 -5.526 0.966
58 HD2 TYR 9 1HD TYR 9 3.234 -7.204 4.833
59 HE1 TYR 9 2HE TYR 9 6.083 -6.945 0.782
60 HE2 TYR 9 1HE TYR 9 5.256 -8.631 4.645
61 HH TYR 9 HH TYR 9 7.694 -8.095 2.599
62 H ASN 10 HN ASN 10 2.688 -6.835 0.009
63 HA ASN 10 HA ASN 10 0.995 -9.220 0.445
64 HB2 ASN 10 2HB ASN 10 1.056 -7.834 -1.836
65 HB3 ASN 10 1HB ASN 10 2.435 -8.872 -2.113
66 HD21 ASN 10 1HD2 ASN 10 2.053 -11.166 -2.365
67 HD22 ASN 10 2HD2 ASN 10 0.490 -11.806 -2.505
68 HA PRO 11 HA PRO 11 5.283 -10.444 1.675
69 HB2 PRO 11 2HB PRO 11 3.955 -12.473 3.301
70 HB3 PRO 11 1HB PRO 11 4.995 -11.141 3.816
71 HG2 PRO 11 2HG PRO 11 2.300 -11.289 4.274
72 HG3 PRO 11 1HG PRO 11 3.241 -9.796 4.259
73 HD2 PRO 11 2HD PRO 11 1.377 -10.857 2.205
74 HD3 PRO 11 1HD PRO 11 1.825 -9.182 2.570
75 H VAL 12 HN VAL 12 2.864 -11.789 -0.150
76 HA VAL 12 HA VAL 12 4.229 -14.385 -0.483
77 HB VAL 12 HB VAL 12 1.540 -13.538 -1.581
78 HG11 VAL 12 1HG1 VAL 12 2.918 -16.218 -1.239
79 HG12 VAL 12 2HG1 VAL 12 2.557 -15.413 -2.764
80 HG13 VAL 12 3HG1 VAL 12 1.244 -16.016 -1.756
81 HG21 VAL 12 3HG2 VAL 12 2.210 -15.101 0.935
82 HG22 VAL 12 1HG2 VAL 12 0.587 -14.835 0.297
83 HG23 VAL 12 2HG2 VAL 12 1.536 -13.470 0.891
84 H LEU 13 HN LEU 13 3.761 -11.337 -1.918
85 HA LEU 13 HA LEU 13 4.768 -12.348 -4.496
86 HB2 LEU 13 2HB LEU 13 2.942 -11.230 -5.271
87 HB3 LEU 13 1HB LEU 13 2.776 -10.288 -3.806
88 HG LEU 13 HG LEU 13 4.607 -8.812 -4.512
89 HD11 LEU 13 1HD1 LEU 13 4.705 -9.625 -7.303
90 HD12 LEU 13 2HD1 LEU 13 5.188 -10.966 -6.277
91 HD13 LEU 13 3HD1 LEU 13 6.044 -9.433 -6.173
92 HD21 LEU 13 3HD2 LEU 13 3.469 -7.787 -6.476
93 HD22 LEU 13 1HD2 LEU 13 2.374 -8.161 -5.151
94 HD23 LEU 13 2HD2 LEU 13 2.419 -9.202 -6.570
95 H GLY 14 HN GLY 14 5.098 -9.805 -2.047
96 HA2 GLY 14 2HA GLY 14 7.450 -9.396 -1.349
97 HA3 GLY 14 1HA GLY 14 7.834 -9.284 -3.061
98 H ILE 15 HN ILE 15 4.868 -7.884 -2.789
99 HA ILE 15 HA ILE 15 5.752 -5.273 -1.836
100 HB ILE 15 HB ILE 15 5.041 -4.146 -3.942
101 HG12 ILE 15 2HG1 ILE 15 5.304 -6.729 -5.424
102 HG13 ILE 15 1HG1 ILE 15 3.784 -6.442 -4.590
103 HG21 ILE 15 1HG2 ILE 15 7.202 -6.193 -4.484
104 HG22 ILE 15 2HG2 ILE 15 7.443 -4.826 -3.397
105 HG23 ILE 15 3HG2 ILE 15 7.094 -4.546 -5.103
106 HD11 ILE 15 3HD1 ILE 15 4.945 -4.260 -6.282
107 HD12 ILE 15 1HD1 ILE 15 3.258 -4.584 -5.876
108 HD13 ILE 15 2HD1 ILE 15 4.093 -5.596 -7.058
109 H CYS 16 HN CYS 16 3.730 -3.676 -2.588
110 HA CYS 16 HA CYS 16 1.462 -4.852 -1.201
111 HB2 CYS 16 2HB CYS 16 1.731 -2.035 -2.238
112 HB3 CYS 16 1HB CYS 16 0.669 -2.629 -0.963
113 H THR 17 HN THR 17 -0.528 -5.156 -2.038
114 HA THR 17 HA THR 17 -0.869 -4.656 -4.936
115 HB THR 17 HB THR 17 -2.008 -6.807 -5.160
116 HG1 THR 17 1HG THR 17 -1.103 -7.645 -2.675
117 HG21 THR 17 3HG2 THR 17 0.003 -8.278 -4.657
118 HG22 THR 17 1HG2 THR 17 0.753 -6.852 -3.941
119 HG23 THR 17 2HG2 THR 17 0.326 -6.858 -5.651
120 H ILE 18 HN ILE 18 -3.003 -4.270 -5.623
121 HA ILE 18 HA ILE 18 -4.565 -2.711 -3.989
122 HB ILE 18 HB ILE 18 -4.637 -3.057 -6.558
123 HG12 ILE 18 2HG1 ILE 18 -7.411 -2.940 -5.452
124 HG13 ILE 18 1HG1 ILE 18 -6.272 -1.728 -4.884
125 HG21 ILE 18 1HG2 ILE 18 -6.853 -4.962 -5.839
126 HG22 ILE 18 2HG2 ILE 18 -5.216 -5.545 -6.136
127 HG23 ILE 18 3HG2 ILE 18 -6.094 -4.696 -7.407
128 HD11 ILE 18 3HD1 ILE 18 -5.735 -1.177 -7.267
129 HD12 ILE 18 1HD1 ILE 18 -7.402 -0.840 -6.821
130 HD13 ILE 18 2HD1 ILE 18 -7.018 -2.281 -7.762
131 H THR 19 HN THR 19 -6.223 -3.054 -2.576
132 HA THR 19 HA THR 19 -6.678 -5.848 -1.779
133 HB THR 19 HB THR 19 -6.060 -4.704 0.132
134 HG1 THR 19 1HG THR 19 -8.232 -3.989 1.073
135 HG21 THR 19 3HG2 THR 19 -7.395 -2.385 -1.201
136 HG22 THR 19 1HG2 THR 19 -5.776 -2.498 -0.513
137 HG23 THR 19 2HG2 THR 19 -7.176 -2.355 0.549
138 H LEU 20 HN LEU 20 -8.927 -6.280 -0.886
139 HA LEU 20 HA LEU 20 -10.835 -5.990 -2.918
140 HB2 LEU 20 2HB LEU 20 -10.899 -7.805 -1.254
141 HB3 LEU 20 1HB LEU 20 -11.279 -6.634 0.008
142 HG LEU 20 HG LEU 20 -13.035 -6.414 -2.330
143 HD11 LEU 20 1HD1 LEU 20 -12.664 -8.848 -2.360
144 HD12 LEU 20 2HD1 LEU 20 -14.301 -8.465 -1.830
145 HD13 LEU 20 3HD1 LEU 20 -13.077 -8.932 -0.649
146 HD21 LEU 20 3HD2 LEU 20 -13.297 -5.340 -0.048
147 HD22 LEU 20 1HD2 LEU 20 -13.651 -6.945 0.590
148 HD23 LEU 20 2HD2 LEU 20 -14.717 -6.220 -0.613
149 H SER 21 HN SER 21 -10.117 -4.101 -0.081
150 HA SER 21 HA SER 21 -12.362 -2.612 0.350
151 HB2 SER 21 2HB SER 21 -10.267 -2.291 1.602
152 HB3 SER 21 1HB SER 21 -9.539 -1.530 0.190
153 HG SER 21 HG SER 21 -10.995 0.135 0.360
154 H ARG 22 HN ARG 22 -10.237 -2.482 -2.413
155 HA ARG 22 HA ARG 22 -10.895 -0.029 -3.530
156 HB2 ARG 22 2HB ARG 22 -9.193 -1.698 -4.389
157 HB3 ARG 22 1HB ARG 22 -10.532 -2.578 -5.118
158 HG2 ARG 22 2HG ARG 22 -11.127 -0.148 -6.071
159 HG3 ARG 22 1HG ARG 22 -9.394 0.090 -5.848
160 HD2 ARG 22 2HD ARG 22 -9.415 -0.782 -7.996
161 HD3 ARG 22 1HD ARG 22 -9.246 -2.253 -7.059
162 HE ARG 22 HE ARG 22 -11.730 -1.315 -8.347
163 HH11 ARG 22 1HH2 ARG 22 -9.917 -3.724 -6.643
164 HH12 ARG 22 2HH2 ARG 22 -11.059 -4.985 -6.939
165 HH21 ARG 22 1HH1 ARG 22 -13.231 -2.970 -8.736
166 HH22 ARG 22 2HH1 ARG 22 -12.936 -4.562 -8.122
167 H ILE 23 HN ILE 23 -12.718 -3.033 -3.452
168 HA ILE 23 HA ILE 23 -14.617 -2.594 -5.415
169 HB ILE 23 HB ILE 23 -14.970 -3.835 -2.681
170 HG12 ILE 23 2HG1 ILE 23 -13.294 -4.938 -4.163
171 HG13 ILE 23 1HG1 ILE 23 -14.703 -5.964 -3.912
172 HG21 ILE 23 1HG2 ILE 23 -16.849 -5.021 -4.223
173 HG22 ILE 23 2HG2 ILE 23 -16.852 -3.408 -4.930
174 HG23 ILE 23 3HG2 ILE 23 -17.191 -3.616 -3.212
175 HD11 ILE 23 3HD1 ILE 23 -15.501 -4.648 -6.145
176 HD12 ILE 23 1HD1 ILE 23 -14.582 -6.145 -6.207
177 HD13 ILE 23 2HD1 ILE 23 -13.767 -4.596 -6.384
178 H GLU 24 HN GLU 24 -15.987 -2.362 -2.257
179 HA GLU 24 HA GLU 24 -16.679 0.463 -2.658
180 HB2 GLU 24 2HB GLU 24 -18.678 -1.773 -2.256
181 HB3 GLU 24 1HB GLU 24 -19.065 -0.061 -2.092
182 HG2 GLU 24 2HG GLU 24 -18.347 0.330 -4.416
183 HG3 GLU 24 1HG GLU 24 -17.956 -1.378 -4.586
184 H HIS 25 HN HIS 25 -14.896 -0.963 -0.804
185 HA HIS 25 HA HIS 25 -16.202 -0.123 1.723
186 HB2 HIS 25 2HB HIS 25 -14.424 -2.546 1.401
187 HB3 HIS 25 1HB HIS 25 -15.206 -2.003 2.884
188 HD2 HIS 25 2HD HIS 25 -15.993 -4.247 -0.120
189 HE1 HIS 25 1HE HIS 25 -19.689 -3.471 1.764
190 HE2 HIS 25 2HE HIS 25 -18.517 -4.895 0.018
191 HA PRO 26 HA PRO 26 -11.943 1.771 0.829
192 HB2 PRO 26 2HB PRO 26 -12.795 4.377 1.185
193 HB3 PRO 26 1HB PRO 26 -12.709 3.559 -0.387
194 HG2 PRO 26 2HG PRO 26 -15.053 4.008 1.389
195 HG3 PRO 26 1HG PRO 26 -14.939 4.099 -0.378
196 HD2 PRO 26 2HD PRO 26 -16.027 1.968 0.864
197 HD3 PRO 26 1HD PRO 26 -15.106 1.795 -0.647
198 H GLY 27 HN GLY 27 -14.421 2.094 3.242
199 HA2 GLY 27 2HA GLY 27 -13.011 3.509 5.226
200 HA3 GLY 27 1HA GLY 27 -14.350 2.403 5.520
201 H ASN 28 HN ASN 28 -13.110 0.078 4.372
202 HA ASN 28 HA ASN 28 -11.865 -1.716 5.081
203 HB2 ASN 28 2HB ASN 28 -10.077 -0.140 4.205
204 HB3 ASN 28 1HB ASN 28 -9.792 0.322 5.882
205 HD21 ASN 28 1HD2 ASN 28 -9.754 -2.499 3.674
206 HD22 ASN 28 2HD2 ASN 28 -8.668 -3.408 4.609
207 H TYR 29 HN TYR 29 -13.724 -0.809 6.936
208 HA TYR 29 HA TYR 29 -14.303 -0.981 9.150
209 HB2 TYR 29 2HB TYR 29 -11.757 -2.559 9.509
210 HB3 TYR 29 1HB TYR 29 -13.290 -2.739 10.362
211 HD1 TYR 29 2HD TYR 29 -15.249 -3.760 9.251
212 HD2 TYR 29 1HD TYR 29 -11.431 -3.497 7.298
213 HE1 TYR 29 2HE TYR 29 -15.998 -5.411 7.558
214 HE2 TYR 29 1HE TYR 29 -12.181 -5.136 5.604
215 HH TYR 29 HH TYR 29 -14.560 -7.168 5.944
216 H ASP 30 HN ASP 30 -12.359 1.143 8.206
217 HA ASP 30 HA ASP 30 -11.088 2.838 9.097
218 HB2 ASP 30 2HB ASP 30 -13.239 2.997 10.429
219 HB3 ASP 30 1HB ASP 30 -12.421 2.099 11.705
220 H TYR 31 HN TYR 31 -9.777 0.357 8.928
221 HA TYR 31 HA TYR 31 -7.837 0.676 11.111
222 HB2 TYR 31 2HB TYR 31 -9.226 -1.150 11.879
223 HB3 TYR 31 1HB TYR 31 -9.114 -1.948 10.310
224 HD1 TYR 31 2HD TYR 31 -7.054 -0.755 13.188
225 HD2 TYR 31 1HD TYR 31 -7.322 -3.405 9.818
226 HE1 TYR 31 2HE TYR 31 -4.965 -1.881 13.908
227 HE2 TYR 31 1HE TYR 31 -5.233 -4.531 10.538
228 HH TYR 31 HH TYR 31 -3.945 -4.853 12.626
Start of MODEL 4
1 H1 PCA 1 HN PCA 1 7.456 -2.328 5.740
2 HA PCA 1 HA PCA 1 7.402 -2.499 3.136
3 HB2 PCA 1 2HB PCA 1 4.968 -4.022 2.964
4 HB3 PCA 1 1HB PCA 1 6.617 -4.548 2.501
5 HG2 PCA 1 1HG PCA 1 6.675 -5.917 4.317
6 HG3 PCA 1 2HG PCA 1 5.072 -5.315 4.848
7 H TRP 2 HN TRP 2 6.906 -0.349 3.439
8 HA TRP 2 HA TRP 2 4.343 0.492 4.318
9 HB2 TRP 2 2HB TRP 2 6.350 1.954 4.283
10 HB3 TRP 2 1HB TRP 2 6.289 1.956 2.521
11 HD1 TRP 2 HD TRP 2 4.479 3.283 5.594
12 HE1 TRP 2 1HE TRP 2 2.804 5.100 4.860
13 HE3 TRP 2 3HE TRP 2 4.801 2.781 0.523
14 HZ2 TRP 2 2HZ TRP 2 1.741 6.196 2.441
15 HZ3 TRP 2 3HZ TRP 2 3.447 4.224 -0.972
16 HH2 TRP 2 HH TRP 2 1.920 5.930 -0.020
17 H CYS 3 HN CYS 3 2.446 0.610 3.283
18 HA CYS 3 HA CYS 3 2.427 0.197 0.350
19 HB2 CYS 3 2HB CYS 3 0.408 -0.728 2.405
20 HB3 CYS 3 1HB CYS 3 0.239 -0.910 0.660
21 H GLN 4 HN GLN 4 0.860 1.309 -0.853
22 HA GLN 4 HA GLN 4 0.143 3.858 0.292
23 HB2 GLN 4 2HB GLN 4 -0.886 3.514 -2.353
24 HB3 GLN 4 1HB GLN 4 0.416 4.572 -1.817
25 HG2 GLN 4 2HG GLN 4 1.982 2.627 -1.943
26 HG3 GLN 4 1HG GLN 4 0.665 1.651 -2.595
27 HE21 GLN 4 1HE2 GLN 4 1.072 1.423 -4.799
28 HE22 GLN 4 2HE2 GLN 4 1.503 2.694 -5.838
29 HA PRO 5 HA PRO 5 -4.181 3.298 1.035
30 HB2 PRO 5 2HB PRO 5 -4.944 5.223 -1.088
31 HB3 PRO 5 1HB PRO 5 -5.271 5.278 0.653
32 HG2 PRO 5 2HG PRO 5 -3.486 6.875 -0.530
33 HG3 PRO 5 1HG PRO 5 -3.292 6.299 1.131
34 HD2 PRO 5 2HD PRO 5 -1.857 5.452 -1.344
35 HD3 PRO 5 1HD PRO 5 -1.308 5.496 0.342
36 H GLY 6 HN GLY 6 -5.735 1.899 0.367
37 HA2 GLY 6 2HA GLY 6 -7.120 0.690 -1.069
38 HA3 GLY 6 1HA GLY 6 -6.368 1.507 -2.434
39 H TYR 7 HN TYR 7 -3.878 0.436 -0.580
40 HA TYR 7 HA TYR 7 -3.734 -2.178 -1.953
41 HB2 TYR 7 2HB TYR 7 -1.632 -0.072 -1.626
42 HB3 TYR 7 1HB TYR 7 -1.192 -1.741 -1.899
43 HD1 TYR 7 2HD TYR 7 -3.443 0.924 -3.275
44 HD2 TYR 7 1HD TYR 7 -1.031 -2.536 -4.076
45 HE1 TYR 7 2HE TYR 7 -3.881 1.183 -5.702
46 HE2 TYR 7 1HE TYR 7 -1.480 -2.286 -6.506
47 HH TYR 7 HH TYR 7 -2.210 -0.768 -8.088
48 H ALA 8 HN ALA 8 -2.214 -3.685 -0.914
49 HA ALA 8 HA ALA 8 -1.757 -3.229 1.939
50 HB1 ALA 8 1HB ALA 8 -3.950 -4.268 1.930
51 HB2 ALA 8 2HB ALA 8 -2.763 -5.442 2.501
52 HB3 ALA 8 3HB ALA 8 -3.382 -5.543 0.852
53 H TYR 9 HN TYR 9 0.082 -4.171 2.655
54 HA TYR 9 HA TYR 9 2.047 -5.006 0.961
55 HB2 TYR 9 2HB TYR 9 2.558 -4.418 3.252
56 HB3 TYR 9 1HB TYR 9 1.648 -5.811 3.835
57 HD1 TYR 9 1HD TYR 9 4.094 -5.535 0.977
58 HD2 TYR 9 2HD TYR 9 3.207 -7.266 4.810
59 HE1 TYR 9 1HE TYR 9 6.108 -6.945 0.801
60 HE2 TYR 9 2HE TYR 9 5.235 -8.688 4.629
61 HH TYR 9 HH TYR 9 7.144 -8.790 1.672
62 H ASN 10 HN ASN 10 2.682 -6.868 0.010
63 HA ASN 10 HA ASN 10 0.969 -9.237 0.442
64 HB2 ASN 10 2HB ASN 10 1.044 -7.841 -1.830
65 HB3 ASN 10 1HB ASN 10 2.407 -8.894 -2.118
66 HD21 ASN 10 1HD2 ASN 10 1.999 -11.164 -2.414
67 HD22 ASN 10 2HD2 ASN 10 0.435 -11.799 -2.533
68 HA PRO 11 HA PRO 11 5.260 -10.469 1.675
69 HB2 PRO 11 2HB PRO 11 3.917 -12.504 3.283
70 HB3 PRO 11 1HB PRO 11 4.966 -11.183 3.807
71 HG2 PRO 11 2HG PRO 11 2.275 -11.311 4.265
72 HG3 PRO 11 1HG PRO 11 3.220 -9.821 4.240
73 HD2 PRO 11 2HD PRO 11 1.356 -10.894 2.193
74 HD3 PRO 11 1HD PRO 11 1.793 -9.218 2.557
75 H VAL 12 HN VAL 12 2.854 -11.812 -0.168
76 HA VAL 12 HA VAL 12 4.233 -14.402 -0.501
77 HB VAL 12 HB VAL 12 1.550 -13.566 -1.623
78 HG11 VAL 12 1HG1 VAL 12 2.633 -15.455 -2.761
79 HG12 VAL 12 2HG1 VAL 12 1.255 -16.024 -1.822
80 HG13 VAL 12 3HG1 VAL 12 2.894 -16.256 -1.212
81 HG21 VAL 12 3HG2 VAL 12 0.596 -14.882 0.258
82 HG22 VAL 12 1HG2 VAL 12 1.484 -13.471 0.834
83 HG23 VAL 12 2HG2 VAL 12 2.216 -15.074 0.928
84 H LEU 13 HN LEU 13 3.690 -11.357 -1.946
85 HA LEU 13 HA LEU 13 4.727 -12.346 -4.515
86 HB2 LEU 13 2HB LEU 13 2.897 -11.226 -5.274
87 HB3 LEU 13 1HB LEU 13 2.739 -10.284 -3.808
88 HG LEU 13 HG LEU 13 4.567 -8.810 -4.521
89 HD11 LEU 13 1HD1 LEU 13 4.619 -9.636 -7.319
90 HD12 LEU 13 2HD1 LEU 13 5.150 -10.954 -6.287
91 HD13 LEU 13 3HD1 LEU 13 5.980 -9.406 -6.222
92 HD21 LEU 13 3HD2 LEU 13 2.344 -8.140 -5.135
93 HD22 LEU 13 1HD2 LEU 13 2.351 -9.193 -6.547
94 HD23 LEU 13 2HD2 LEU 13 3.416 -7.788 -6.484
95 H GLY 14 HN GLY 14 5.078 -9.841 -2.032
96 HA2 GLY 14 2HA GLY 14 7.420 -9.415 -1.339
97 HA3 GLY 14 1HA GLY 14 7.814 -9.320 -3.048
98 H ILE 15 HN ILE 15 4.849 -7.890 -2.791
99 HA ILE 15 HA ILE 15 5.759 -5.284 -1.850
100 HB ILE 15 HB ILE 15 5.052 -4.157 -3.957
101 HG12 ILE 15 2HG1 ILE 15 5.302 -6.741 -5.441
102 HG13 ILE 15 1HG1 ILE 15 3.785 -6.454 -4.601
103 HG21 ILE 15 1HG2 ILE 15 7.105 -4.562 -5.110
104 HG22 ILE 15 2HG2 ILE 15 7.198 -6.216 -4.509
105 HG23 ILE 15 3HG2 ILE 15 7.450 -4.863 -3.407
106 HD11 ILE 15 3HD1 ILE 15 4.931 -4.261 -6.286
107 HD12 ILE 15 1HD1 ILE 15 3.246 -4.611 -5.893
108 HD13 ILE 15 2HD1 ILE 15 4.103 -5.605 -7.073
109 H CYS 16 HN CYS 16 3.747 -3.669 -2.611
110 HA CYS 16 HA CYS 16 1.481 -4.806 -1.200
111 HB2 CYS 16 2HB CYS 16 1.785 -2.010 -2.279
112 HB3 CYS 16 1HB CYS 16 0.700 -2.571 -1.012
113 H THR 17 HN THR 17 -0.504 -5.123 -2.016
114 HA THR 17 HA THR 17 -0.870 -4.665 -4.920
115 HB THR 17 HB THR 17 -2.051 -6.803 -5.080
116 HG1 THR 17 1HG THR 17 -2.509 -7.922 -3.359
117 HG21 THR 17 3HG2 THR 17 0.272 -6.890 -5.620
118 HG22 THR 17 1HG2 THR 17 -0.050 -8.290 -4.598
119 HG23 THR 17 2HG2 THR 17 0.733 -6.863 -3.919
120 H ILE 18 HN ILE 18 -3.030 -4.325 -5.598
121 HA ILE 18 HA ILE 18 -4.553 -2.708 -3.960
122 HB ILE 18 HB ILE 18 -4.640 -2.986 -6.506
123 HG12 ILE 18 2HG1 ILE 18 -7.386 -2.999 -5.291
124 HG13 ILE 18 1HG1 ILE 18 -6.276 -1.700 -4.886
125 HG21 ILE 18 1HG2 ILE 18 -5.121 -5.506 -6.192
126 HG22 ILE 18 2HG2 ILE 18 -6.065 -4.645 -7.408
127 HG23 ILE 18 3HG2 ILE 18 -6.778 -5.011 -5.836
128 HD11 ILE 18 3HD1 ILE 18 -7.085 -2.501 -7.682
129 HD12 ILE 18 1HD1 ILE 18 -5.963 -1.208 -7.263
130 HD13 ILE 18 2HD1 ILE 18 -7.660 -1.082 -6.806
131 H THR 19 HN THR 19 -6.056 -3.052 -2.436
132 HA THR 19 HA THR 19 -6.606 -5.825 -1.686
133 HB THR 19 HB THR 19 -5.996 -4.665 0.223
134 HG1 THR 19 1HG THR 19 -7.773 -5.270 1.135
135 HG21 THR 19 3HG2 THR 19 -7.369 -2.354 -1.112
136 HG22 THR 19 1HG2 THR 19 -5.725 -2.461 -0.482
137 HG23 THR 19 2HG2 THR 19 -7.085 -2.318 0.630
138 H LEU 20 HN LEU 20 -8.872 -6.311 -0.901
139 HA LEU 20 HA LEU 20 -10.733 -5.894 -2.961
140 HB2 LEU 20 2HB LEU 20 -11.024 -6.950 -0.173
141 HB3 LEU 20 1HB LEU 20 -12.322 -6.940 -1.352
142 HG LEU 20 HG LEU 20 -9.627 -8.246 -1.803
143 HD11 LEU 20 1HD1 LEU 20 -12.270 -9.596 -1.367
144 HD12 LEU 20 2HD1 LEU 20 -11.161 -9.256 -0.042
145 HD13 LEU 20 3HD1 LEU 20 -10.665 -10.319 -1.356
146 HD21 LEU 20 3HD2 LEU 20 -12.026 -7.761 -3.489
147 HD22 LEU 20 1HD2 LEU 20 -11.364 -9.392 -3.571
148 HD23 LEU 20 2HD2 LEU 20 -10.348 -8.005 -3.965
149 H SER 21 HN SER 21 -10.019 -4.180 -0.057
150 HA SER 21 HA SER 21 -12.450 -2.824 0.344
151 HB2 SER 21 2HB SER 21 -11.154 -1.238 1.654
152 HB3 SER 21 1HB SER 21 -10.570 -2.867 1.976
153 HG SER 21 HG SER 21 -9.060 -0.973 1.363
154 H ARG 22 HN ARG 22 -10.097 -2.556 -2.121
155 HA ARG 22 HA ARG 22 -10.194 0.114 -2.857
156 HB2 ARG 22 2HB ARG 22 -9.533 -0.604 -5.056
157 HB3 ARG 22 1HB ARG 22 -8.755 -1.671 -3.889
158 HG2 ARG 22 2HG ARG 22 -9.652 -3.371 -5.091
159 HG3 ARG 22 1HG ARG 22 -11.177 -2.930 -4.340
160 HD2 ARG 22 2HD ARG 22 -11.633 -2.933 -6.669
161 HD3 ARG 22 1HD ARG 22 -11.444 -1.233 -6.249
162 HE ARG 22 HE ARG 22 -8.949 -2.351 -7.056
163 HH11 ARG 22 1HH2 ARG 22 -12.023 -1.268 -8.215
164 HH12 ARG 22 2HH2 ARG 22 -11.434 -0.831 -9.783
165 HH21 ARG 22 1HH1 ARG 22 -8.167 -1.779 -9.110
166 HH22 ARG 22 2HH1 ARG 22 -9.250 -1.119 -10.290
167 H ILE 23 HN ILE 23 -12.663 -2.286 -2.993
168 HA ILE 23 HA ILE 23 -14.270 -1.331 -5.087
169 HB ILE 23 HB ILE 23 -15.065 -2.659 -2.491
170 HG12 ILE 23 2HG1 ILE 23 -14.808 -3.840 -5.269
171 HG13 ILE 23 1HG1 ILE 23 -13.491 -3.868 -4.098
172 HG21 ILE 23 1HG2 ILE 23 -17.123 -1.898 -3.197
173 HG22 ILE 23 2HG2 ILE 23 -17.013 -3.337 -4.211
174 HG23 ILE 23 3HG2 ILE 23 -16.606 -1.758 -4.878
175 HD11 ILE 23 3HD1 ILE 23 -16.259 -4.985 -3.573
176 HD12 ILE 23 1HD1 ILE 23 -14.851 -5.119 -2.518
177 HD13 ILE 23 2HD1 ILE 23 -14.874 -5.958 -4.069
178 H GLU 24 HN GLU 24 -15.749 -1.061 -1.985
179 HA GLU 24 HA GLU 24 -15.906 1.872 -2.239
180 HB2 GLU 24 2HB GLU 24 -18.224 0.002 -1.692
181 HB3 GLU 24 1HB GLU 24 -18.299 1.763 -1.618
182 HG2 GLU 24 2HG GLU 24 -17.417 0.256 -4.082
183 HG3 GLU 24 1HG GLU 24 -19.078 0.745 -3.806
184 H HIS 25 HN HIS 25 -14.157 0.492 -0.535
185 HA HIS 25 HA HIS 25 -15.319 1.206 2.092
186 HB2 HIS 25 2HB HIS 25 -13.493 -1.153 1.593
187 HB3 HIS 25 1HB HIS 25 -14.255 -0.704 3.118
188 HD2 HIS 25 2HD HIS 25 -15.136 -2.612 -0.147
189 HE1 HIS 25 1HE HIS 25 -18.653 -2.433 2.177
190 HE2 HIS 25 2HE HIS 25 -17.590 -3.465 0.118
191 HA PRO 26 HA PRO 26 -11.104 3.118 1.317
192 HB2 PRO 26 2HB PRO 26 -11.859 5.724 1.157
193 HB3 PRO 26 1HB PRO 26 -11.828 4.648 -0.254
194 HG2 PRO 26 2HG PRO 26 -14.137 5.545 1.395
195 HG3 PRO 26 1HG PRO 26 -14.021 5.300 -0.355
196 HD2 PRO 26 2HD PRO 26 -15.179 3.483 1.369
197 HD3 PRO 26 1HD PRO 26 -14.479 3.058 -0.208
198 H GLY 27 HN GLY 27 -13.700 3.421 3.507
199 HA2 GLY 27 2HA GLY 27 -12.760 5.321 5.346
200 HA3 GLY 27 1HA GLY 27 -13.836 3.986 5.733
201 H ASN 28 HN ASN 28 -12.104 1.855 5.052
202 HA ASN 28 HA ASN 28 -10.669 1.547 7.458
203 HB2 ASN 28 2HB ASN 28 -10.589 0.029 4.851
204 HB3 ASN 28 1HB ASN 28 -9.669 -0.456 6.274
205 HD21 ASN 28 1HD2 ASN 28 -11.778 -2.088 5.158
206 HD22 ASN 28 2HD2 ASN 28 -13.033 -2.161 6.299
207 H TYR 29 HN TYR 29 -9.680 2.540 4.228
208 HA TYR 29 HA TYR 29 -6.905 2.856 5.165
209 HB2 TYR 29 2HB TYR 29 -8.079 2.830 2.378
210 HB3 TYR 29 1HB TYR 29 -6.375 3.105 2.744
211 HD1 TYR 29 2HD TYR 29 -9.142 0.647 2.938
212 HD2 TYR 29 1HD TYR 29 -4.924 1.310 3.404
213 HE1 TYR 29 2HE TYR 29 -8.774 -1.801 3.075
214 HE2 TYR 29 1HE TYR 29 -4.554 -1.140 3.538
215 HH TYR 29 HH TYR 29 -7.017 -3.342 4.068
216 H ASP 30 HN ASP 30 -9.373 4.677 5.559
217 HA ASP 30 HA ASP 30 -8.619 7.101 4.155
218 HB2 ASP 30 2HB ASP 30 -10.976 6.632 4.674
219 HB3 ASP 30 1HB ASP 30 -10.605 6.659 6.397
220 H TYR 31 HN TYR 31 -6.370 7.002 5.014
221 HA TYR 31 HA TYR 31 -6.177 8.047 7.771
222 HB2 TYR 31 2HB TYR 31 -4.876 6.044 7.518
223 HB3 TYR 31 1HB TYR 31 -4.154 6.635 6.020
224 HD1 TYR 31 2HD TYR 31 -4.411 7.302 9.680
225 HD2 TYR 31 1HD TYR 31 -2.231 8.026 6.050
226 HE1 TYR 31 2HE TYR 31 -2.609 8.403 10.982
227 HE2 TYR 31 1HE TYR 31 -0.430 9.127 7.351
228 HH TYR 31 HH TYR 31 0.255 8.783 10.195
Start of MODEL 5
1 H1 PCA 1 HN PCA 1 6.841 -2.125 6.630
2 HA PCA 1 HA PCA 1 7.331 -2.273 4.054
3 HB2 PCA 1 2HB PCA 1 4.951 -3.829 3.476
4 HB3 PCA 1 1HB PCA 1 6.662 -4.274 3.191
5 HG2 PCA 1 1HG PCA 1 6.606 -5.688 4.973
6 HG3 PCA 1 2HG PCA 1 4.893 -5.250 5.266
7 H TRP 2 HN TRP 2 6.791 -0.172 4.030
8 HA TRP 2 HA TRP 2 4.154 0.739 4.565
9 HB2 TRP 2 2HB TRP 2 6.131 2.211 4.668
10 HB3 TRP 2 1HB TRP 2 6.334 2.049 2.924
11 HD1 TRP 2 HD TRP 2 4.115 3.670 5.557
12 HE1 TRP 2 1HE TRP 2 2.581 5.396 4.409
13 HE3 TRP 2 3HE TRP 2 5.151 2.654 0.662
14 HZ2 TRP 2 2HZ TRP 2 1.886 6.235 1.765
15 HZ3 TRP 2 3HZ TRP 2 4.040 3.932 -1.151
16 HH2 TRP 2 HH TRP 2 2.410 5.718 -0.606
17 H CYS 3 HN CYS 3 2.395 0.831 3.316
18 HA CYS 3 HA CYS 3 2.691 0.254 0.429
19 HB2 CYS 3 2HB CYS 3 0.581 -0.717 2.361
20 HB3 CYS 3 1HB CYS 3 0.426 -0.838 0.609
21 H GLN 4 HN GLN 4 1.290 1.298 -0.970
22 HA GLN 4 HA GLN 4 0.512 3.915 -0.243
23 HB2 GLN 4 2HB GLN 4 -0.728 3.118 -2.678
24 HB3 GLN 4 1HB GLN 4 0.679 4.155 -2.470
25 HG2 GLN 4 2HG GLN 4 2.120 2.136 -2.378
26 HG3 GLN 4 1HG GLN 4 0.697 1.128 -2.646
27 HE21 GLN 4 1HE2 GLN 4 0.721 0.438 -4.781
28 HE22 GLN 4 2HE2 GLN 4 1.096 1.419 -6.115
29 HA PRO 5 HA PRO 5 -3.629 3.357 1.052
30 HB2 PRO 5 2HB PRO 5 -4.982 5.300 -0.387
31 HB3 PRO 5 1HB PRO 5 -4.037 5.607 1.082
32 HG2 PRO 5 2HG PRO 5 -3.323 6.054 -1.761
33 HG3 PRO 5 1HG PRO 5 -2.876 6.973 -0.315
34 HD2 PRO 5 2HD PRO 5 -1.172 5.251 -1.588
35 HD3 PRO 5 1HD PRO 5 -1.054 5.613 0.143
36 H GLY 6 HN GLY 6 -5.348 2.120 0.578
37 HA2 GLY 6 2HA GLY 6 -6.985 1.051 -0.701
38 HA3 GLY 6 1HA GLY 6 -6.285 1.767 -2.152
39 H TYR 7 HN TYR 7 -3.706 0.606 -0.541
40 HA TYR 7 HA TYR 7 -3.863 -2.047 -1.827
41 HB2 TYR 7 2HB TYR 7 -1.604 -0.081 -1.666
42 HB3 TYR 7 1HB TYR 7 -1.286 -1.792 -1.893
43 HD1 TYR 7 2HD TYR 7 -3.601 0.849 -3.253
44 HD2 TYR 7 1HD TYR 7 -1.127 -2.564 -4.069
45 HE1 TYR 7 2HE TYR 7 -4.146 1.030 -5.664
46 HE2 TYR 7 1HE TYR 7 -1.680 -2.391 -6.480
47 HH TYR 7 HH TYR 7 -2.431 -0.631 -8.065
48 H ALA 8 HN ALA 8 -2.317 -3.631 -0.850
49 HA ALA 8 HA ALA 8 -1.804 -3.193 1.999
50 HB1 ALA 8 1HB ALA 8 -3.261 -4.736 2.752
51 HB2 ALA 8 2HB ALA 8 -2.855 -5.866 1.461
52 HB3 ALA 8 3HB ALA 8 -4.043 -4.594 1.178
53 H TYR 9 HN TYR 9 0.040 -4.160 2.687
54 HA TYR 9 HA TYR 9 1.981 -4.960 0.913
55 HB2 TYR 9 2HB TYR 9 2.563 -4.322 3.179
56 HB3 TYR 9 1HB TYR 9 1.691 -5.712 3.819
57 HD1 TYR 9 2HD TYR 9 4.071 -5.431 0.906
58 HD2 TYR 9 1HD TYR 9 3.251 -7.156 4.755
59 HE1 TYR 9 2HE TYR 9 6.094 -6.835 0.705
60 HE2 TYR 9 1HE TYR 9 5.282 -8.568 4.551
61 HH TYR 9 HH TYR 9 7.708 -8.038 2.752
62 H ASN 10 HN ASN 10 2.607 -6.823 -0.019
63 HA ASN 10 HA ASN 10 0.925 -9.202 0.475
64 HB2 ASN 10 2HB ASN 10 0.941 -7.829 -1.809
65 HB3 ASN 10 1HB ASN 10 2.321 -8.867 -2.113
66 HD21 ASN 10 1HD2 ASN 10 1.936 -11.159 -2.352
67 HD22 ASN 10 2HD2 ASN 10 0.374 -11.814 -2.439
68 HA PRO 11 HA PRO 11 5.260 -10.388 1.614
69 HB2 PRO 11 2HB PRO 11 3.993 -12.418 3.285
70 HB3 PRO 11 1HB PRO 11 5.027 -11.070 3.773
71 HG2 PRO 11 2HG PRO 11 2.349 -11.251 4.283
72 HG3 PRO 11 1HG PRO 11 3.268 -9.742 4.237
73 HD2 PRO 11 2HD PRO 11 1.372 -10.856 2.235
74 HD3 PRO 11 1HD PRO 11 1.795 -9.168 2.584
75 H VAL 12 HN VAL 12 2.808 -11.780 -0.131
76 HA VAL 12 HA VAL 12 4.181 -14.369 -0.459
77 HB VAL 12 HB VAL 12 1.466 -13.531 -1.494
78 HG11 VAL 12 1HG1 VAL 12 1.189 -16.029 -1.645
79 HG12 VAL 12 2HG1 VAL 12 2.900 -16.189 -1.249
80 HG13 VAL 12 3HG1 VAL 12 2.412 -15.380 -2.738
81 HG21 VAL 12 3HG2 VAL 12 0.584 -14.857 0.403
82 HG22 VAL 12 1HG2 VAL 12 1.530 -13.481 0.973
83 HG23 VAL 12 2HG2 VAL 12 2.229 -15.102 0.990
84 H LEU 13 HN LEU 13 3.658 -11.351 -1.932
85 HA LEU 13 HA LEU 13 4.625 -12.382 -4.519
86 HB2 LEU 13 2HB LEU 13 2.783 -11.298 -5.267
87 HB3 LEU 13 1HB LEU 13 2.634 -10.344 -3.805
88 HG LEU 13 HG LEU 13 4.404 -8.829 -4.578
89 HD11 LEU 13 1HD1 LEU 13 5.826 -9.437 -6.260
90 HD12 LEU 13 2HD1 LEU 13 4.464 -9.650 -7.356
91 HD13 LEU 13 3HD1 LEU 13 4.994 -10.991 -6.352
92 HD21 LEU 13 3HD2 LEU 13 3.189 -7.887 -6.549
93 HD22 LEU 13 1HD2 LEU 13 2.154 -8.241 -5.172
94 HD23 LEU 13 2HD2 LEU 13 2.168 -9.325 -6.561
95 H GLY 14 HN GLY 14 5.011 -9.840 -2.081
96 HA2 GLY 14 2HA GLY 14 7.359 -9.360 -1.442
97 HA3 GLY 14 1HA GLY 14 7.716 -9.302 -3.164
98 H ILE 15 HN ILE 15 4.741 -7.888 -2.894
99 HA ILE 15 HA ILE 15 5.688 -5.264 -2.041
100 HB ILE 15 HB ILE 15 4.905 -4.182 -4.136
101 HG12 ILE 15 2HG1 ILE 15 5.092 -6.797 -5.565
102 HG13 ILE 15 1HG1 ILE 15 3.595 -6.466 -4.700
103 HG21 ILE 15 1HG2 ILE 15 6.910 -4.630 -5.364
104 HG22 ILE 15 2HG2 ILE 15 7.020 -6.266 -4.713
105 HG23 ILE 15 3HG2 ILE 15 7.318 -4.878 -3.666
106 HD11 ILE 15 3HD1 ILE 15 3.066 -4.643 -6.025
107 HD12 ILE 15 1HD1 ILE 15 3.876 -5.681 -7.197
108 HD13 ILE 15 2HD1 ILE 15 4.748 -4.336 -6.462
109 H CYS 16 HN CYS 16 3.640 -3.673 -2.765
110 HA CYS 16 HA CYS 16 1.424 -4.813 -1.254
111 HB2 CYS 16 2HB CYS 16 1.617 -2.009 -2.344
112 HB3 CYS 16 1HB CYS 16 0.666 -2.593 -0.979
113 H THR 17 HN THR 17 -0.563 -5.162 -2.023
114 HA THR 17 HA THR 17 -1.034 -4.704 -4.910
115 HB THR 17 HB THR 17 -2.211 -6.843 -5.020
116 HG1 THR 17 1HG THR 17 -2.807 -6.936 -2.811
117 HG21 THR 17 3HG2 THR 17 0.610 -6.908 -3.946
118 HG22 THR 17 1HG2 THR 17 0.098 -6.913 -5.633
119 HG23 THR 17 2HG2 THR 17 -0.195 -8.326 -4.618
120 H ILE 18 HN ILE 18 -3.223 -4.354 -5.507
121 HA ILE 18 HA ILE 18 -4.686 -2.761 -3.761
122 HB ILE 18 HB ILE 18 -4.804 -3.027 -6.348
123 HG12 ILE 18 2HG1 ILE 18 -7.427 -2.694 -4.873
124 HG13 ILE 18 1HG1 ILE 18 -6.166 -1.463 -4.835
125 HG21 ILE 18 1HG2 ILE 18 -6.465 -4.496 -7.183
126 HG22 ILE 18 2HG2 ILE 18 -7.133 -4.788 -5.577
127 HG23 ILE 18 3HG2 ILE 18 -5.563 -5.469 -6.021
128 HD11 ILE 18 3HD1 ILE 18 -6.711 -0.729 -6.870
129 HD12 ILE 18 1HD1 ILE 18 -8.128 -1.775 -6.804
130 HD13 ILE 18 2HD1 ILE 18 -6.639 -2.355 -7.547
131 H THR 19 HN THR 19 -6.223 -3.111 -2.290
132 HA THR 19 HA THR 19 -6.680 -5.868 -1.479
133 HB THR 19 HB THR 19 -6.342 -4.621 0.416
134 HG1 THR 19 1HG THR 19 -9.112 -4.204 0.010
135 HG21 THR 19 3HG2 THR 19 -7.640 -2.408 -1.137
136 HG22 THR 19 1HG2 THR 19 -6.063 -2.434 -0.348
137 HG23 THR 19 2HG2 THR 19 -7.533 -2.295 0.618
138 H LEU 20 HN LEU 20 -8.628 -6.923 -1.511
139 HA LEU 20 HA LEU 20 -10.454 -6.306 -3.529
140 HB2 LEU 20 2HB LEU 20 -9.951 -8.518 -2.198
141 HB3 LEU 20 1HB LEU 20 -11.255 -7.950 -1.162
142 HG LEU 20 HG LEU 20 -11.510 -8.173 -4.179
143 HD11 LEU 20 1HD1 LEU 20 -11.708 -10.202 -2.053
144 HD12 LEU 20 2HD1 LEU 20 -11.384 -10.384 -3.776
145 HD13 LEU 20 3HD1 LEU 20 -13.040 -10.173 -3.207
146 HD21 LEU 20 3HD2 LEU 20 -13.278 -7.328 -1.953
147 HD22 LEU 20 1HD2 LEU 20 -14.004 -8.443 -3.108
148 HD23 LEU 20 2HD2 LEU 20 -13.335 -6.912 -3.663
149 H SER 21 HN SER 21 -10.303 -5.377 -0.174
150 HA SER 21 HA SER 21 -12.961 -4.624 0.264
151 HB2 SER 21 2HB SER 21 -12.079 -3.177 2.029
152 HB3 SER 21 1HB SER 21 -11.279 -4.747 2.052
153 HG SER 21 HG SER 21 -10.332 -2.263 1.087
154 H ARG 22 HN ARG 22 -10.372 -3.033 -1.453
155 HA ARG 22 HA ARG 22 -11.360 -0.418 -1.556
156 HB2 ARG 22 2HB ARG 22 -9.106 -1.058 -2.345
157 HB3 ARG 22 1HB ARG 22 -9.832 -1.910 -3.710
158 HG2 ARG 22 2HG ARG 22 -10.758 0.137 -4.588
159 HG3 ARG 22 1HG ARG 22 -10.297 1.031 -3.138
160 HD2 ARG 22 2HD ARG 22 -7.935 0.684 -3.629
161 HD3 ARG 22 1HD ARG 22 -8.344 -0.314 -5.017
162 HE ARG 22 HE ARG 22 -9.588 2.138 -5.432
163 HH11 ARG 22 1HH2 ARG 22 -6.395 0.888 -4.965
164 HH12 ARG 22 2HH2 ARG 22 -5.627 2.107 -5.926
165 HH21 ARG 22 1HH1 ARG 22 -8.588 3.741 -6.694
166 HH22 ARG 22 2HH1 ARG 22 -6.868 3.722 -6.906
167 H ILE 23 HN ILE 23 -12.104 -3.254 -3.538
168 HA ILE 23 HA ILE 23 -13.544 -2.148 -5.594
169 HB ILE 23 HB ILE 23 -14.311 -4.612 -4.018
170 HG12 ILE 23 2HG1 ILE 23 -11.983 -4.720 -4.735
171 HG13 ILE 23 1HG1 ILE 23 -12.954 -5.814 -5.715
172 HG21 ILE 23 1HG2 ILE 23 -15.166 -5.292 -6.350
173 HG22 ILE 23 2HG2 ILE 23 -15.059 -3.578 -6.751
174 HG23 ILE 23 3HG2 ILE 23 -16.127 -4.116 -5.452
175 HD11 ILE 23 3HD1 ILE 23 -11.628 -3.244 -6.486
176 HD12 ILE 23 1HD1 ILE 23 -13.115 -3.693 -7.320
177 HD13 ILE 23 2HD1 ILE 23 -11.719 -4.764 -7.370
178 H GLU 24 HN GLU 24 -15.653 -3.729 -3.358
179 HA GLU 24 HA GLU 24 -16.986 -1.213 -2.670
180 HB2 GLU 24 2HB GLU 24 -18.325 -3.516 -4.108
181 HB3 GLU 24 1HB GLU 24 -19.197 -2.193 -3.334
182 HG2 GLU 24 2HG GLU 24 -17.992 -0.575 -4.776
183 HG3 GLU 24 1HG GLU 24 -17.167 -1.914 -5.568
184 H HIS 25 HN HIS 25 -15.434 -3.094 -1.094
185 HA HIS 25 HA HIS 25 -17.568 -3.949 0.777
186 HB2 HIS 25 2HB HIS 25 -15.057 -5.519 0.177
187 HB3 HIS 25 1HB HIS 25 -16.359 -5.986 1.266
188 HD2 HIS 25 2HD HIS 25 -15.454 -6.291 -2.451
189 HE1 HIS 25 1HE HIS 25 -19.544 -7.285 -2.147
190 HE2 HIS 25 2HE HIS 25 -17.524 -7.298 -3.683
191 HA PRO 26 HA PRO 26 -14.148 -1.295 2.666
192 HB2 PRO 26 2HB PRO 26 -15.832 0.618 3.700
193 HB3 PRO 26 1HB PRO 26 -15.072 0.729 2.102
194 HG2 PRO 26 2HG PRO 26 -17.833 -0.112 2.830
195 HG3 PRO 26 1HG PRO 26 -17.274 0.878 1.470
196 HD2 PRO 26 2HD PRO 26 -17.936 -1.736 1.180
197 HD3 PRO 26 1HD PRO 26 -16.674 -0.966 0.195
198 H GLY 27 HN GLY 27 -17.086 -2.784 3.665
199 HA2 GLY 27 2HA GLY 27 -17.020 -2.359 6.444
200 HA3 GLY 27 1HA GLY 27 -17.771 -3.736 5.643
201 H ASN 28 HN ASN 28 -15.205 -4.521 4.368
202 HA ASN 28 HA ASN 28 -13.521 -6.022 4.792
203 HB2 ASN 28 2HB ASN 28 -13.196 -4.340 7.284
204 HB3 ASN 28 1HB ASN 28 -11.992 -5.438 6.613
205 HD21 ASN 28 1HD2 ASN 28 -11.701 -4.919 4.039
206 HD22 ASN 28 2HD2 ASN 28 -11.450 -3.274 3.711
207 H TYR 29 HN TYR 29 -16.144 -6.779 5.622
208 HA TYR 29 HA TYR 29 -17.222 -8.390 6.859
209 HB2 TYR 29 2HB TYR 29 -14.427 -9.348 7.510
210 HB3 TYR 29 1HB TYR 29 -15.913 -10.300 7.513
211 HD1 TYR 29 2HD TYR 29 -17.072 -10.837 5.381
212 HD2 TYR 29 1HD TYR 29 -13.296 -8.791 5.458
213 HE1 TYR 29 2HE TYR 29 -16.755 -11.330 2.971
214 HE2 TYR 29 1HE TYR 29 -12.980 -9.283 3.049
215 HH TYR 29 HH TYR 29 -15.411 -11.149 1.220
216 H ASP 30 HN ASP 30 -16.181 -5.851 8.157
217 HA ASP 30 HA ASP 30 -16.098 -4.897 10.244
218 HB2 ASP 30 2HB ASP 30 -18.384 -5.991 10.251
219 HB3 ASP 30 1HB ASP 30 -17.651 -7.329 11.135
220 H TYR 31 HN TYR 31 -13.850 -6.422 9.555
221 HA TYR 31 HA TYR 31 -12.915 -7.165 12.230
222 HB2 TYR 31 2HB TYR 31 -13.276 -9.028 9.973
223 HB3 TYR 31 1HB TYR 31 -11.696 -9.104 10.753
224 HD1 TYR 31 2HD TYR 31 -11.708 -9.134 13.377
225 HD2 TYR 31 1HD TYR 31 -15.081 -10.179 10.931
226 HE1 TYR 31 2HE TYR 31 -12.695 -10.391 15.274
227 HE2 TYR 31 1HE TYR 31 -16.067 -11.434 12.827
228 HH TYR 31 HH TYR 31 -15.160 -11.071 15.941
Start of MODEL 6
1 H1 PCA 1 HN PCA 1 8.458 -1.470 4.002
2 HA PCA 1 HA PCA 1 6.971 -3.116 2.558
3 HB2 PCA 1 2HB PCA 1 5.314 -3.803 4.869
4 HB3 PCA 1 1HB PCA 1 6.220 -4.896 3.775
5 HG2 PCA 1 1HG PCA 1 7.878 -5.134 5.313
6 HG3 PCA 1 2HG PCA 1 6.926 -4.133 6.455
7 H TRP 2 HN TRP 2 7.050 -0.355 3.286
8 HA TRP 2 HA TRP 2 4.511 0.461 4.240
9 HB2 TRP 2 2HB TRP 2 6.506 1.938 4.140
10 HB3 TRP 2 1HB TRP 2 6.372 1.951 2.382
11 HD1 TRP 2 HD TRP 2 4.648 3.215 5.536
12 HE1 TRP 2 1HE TRP 2 2.937 5.029 4.880
13 HE3 TRP 2 3HE TRP 2 4.832 2.803 0.452
14 HZ2 TRP 2 2HZ TRP 2 1.797 6.156 2.511
15 HZ3 TRP 2 3HZ TRP 2 3.425 4.258 -0.982
16 HH2 TRP 2 HH TRP 2 1.908 5.933 0.042
17 H CYS 3 HN CYS 3 2.582 0.668 3.260
18 HA CYS 3 HA CYS 3 2.459 0.156 0.347
19 HB2 CYS 3 2HB CYS 3 0.457 -0.590 2.483
20 HB3 CYS 3 1HB CYS 3 0.247 -0.849 0.752
21 H GLN 4 HN GLN 4 0.850 1.238 -0.842
22 HA GLN 4 HA GLN 4 0.225 3.861 0.208
23 HB2 GLN 4 2HB GLN 4 -0.838 3.433 -2.420
24 HB3 GLN 4 1HB GLN 4 0.482 4.496 -1.929
25 HG2 GLN 4 2HG GLN 4 2.028 2.542 -1.997
26 HG3 GLN 4 1HG GLN 4 0.699 1.546 -2.594
27 HE21 GLN 4 1HE2 GLN 4 3.362 3.076 -3.723
28 HE22 GLN 4 2HE2 GLN 4 2.824 3.513 -5.273
29 HA PRO 5 HA PRO 5 -4.082 3.389 1.031
30 HB2 PRO 5 2HB PRO 5 -4.859 5.300 -1.099
31 HB3 PRO 5 1HB PRO 5 -5.117 5.396 0.652
32 HG2 PRO 5 2HG PRO 5 -3.332 6.920 -0.639
33 HG3 PRO 5 1HG PRO 5 -3.109 6.390 1.034
34 HD2 PRO 5 2HD PRO 5 -1.764 5.427 -1.451
35 HD3 PRO 5 1HD PRO 5 -1.166 5.507 0.218
36 H GLY 6 HN GLY 6 -5.670 2.011 0.422
37 HA2 GLY 6 2HA GLY 6 -7.107 0.808 -0.963
38 HA3 GLY 6 1HA GLY 6 -6.367 1.591 -2.355
39 H TYR 7 HN TYR 7 -3.847 0.513 -0.560
40 HA TYR 7 HA TYR 7 -3.770 -2.114 -1.915
41 HB2 TYR 7 2HB TYR 7 -1.646 -0.043 -1.585
42 HB3 TYR 7 1HB TYR 7 -1.205 -1.718 -1.810
43 HD1 TYR 7 1HD TYR 7 -3.489 0.881 -3.271
44 HD2 TYR 7 2HD TYR 7 -0.972 -2.526 -3.970
45 HE1 TYR 7 1HE TYR 7 -3.884 1.092 -5.710
46 HE2 TYR 7 2HE TYR 7 -1.374 -2.321 -6.414
47 HH TYR 7 HH TYR 7 -2.730 -1.342 -7.977
48 H ALA 8 HN ALA 8 -2.236 -3.639 -0.881
49 HA ALA 8 HA ALA 8 -1.843 -3.214 1.982
50 HB1 ALA 8 1HB ALA 8 -2.984 -5.178 2.664
51 HB2 ALA 8 2HB ALA 8 -3.171 -5.742 1.004
52 HB3 ALA 8 3HB ALA 8 -4.098 -4.353 1.573
53 H TYR 9 HN TYR 9 -0.024 -4.153 2.721
54 HA TYR 9 HA TYR 9 2.006 -4.938 1.053
55 HB2 TYR 9 2HB TYR 9 2.557 -4.374 3.289
56 HB3 TYR 9 1HB TYR 9 1.500 -5.629 3.935
57 HD1 TYR 9 1HD TYR 9 3.982 -5.800 1.111
58 HD2 TYR 9 2HD TYR 9 2.916 -7.137 5.056
59 HE1 TYR 9 1HE TYR 9 5.851 -7.402 1.067
60 HE2 TYR 9 2HE TYR 9 4.796 -8.750 5.010
61 HH TYR 9 HH TYR 9 6.623 -9.412 3.904
62 H ASN 10 HN ASN 10 2.650 -6.771 0.066
63 HA ASN 10 HA ASN 10 0.998 -9.167 0.498
64 HB2 ASN 10 2HB ASN 10 1.023 -7.770 -1.770
65 HB3 ASN 10 1HB ASN 10 2.381 -8.834 -2.072
66 HD21 ASN 10 1HD2 ASN 10 1.952 -11.136 -2.250
67 HD22 ASN 10 2HD2 ASN 10 0.377 -11.740 -2.392
68 HA PRO 11 HA PRO 11 5.287 -10.469 1.572
69 HB2 PRO 11 2HB PRO 11 4.555 -12.392 3.361
70 HB3 PRO 11 1HB PRO 11 4.730 -10.679 3.765
71 HG2 PRO 11 2HG PRO 11 2.286 -12.264 3.337
72 HG3 PRO 11 1HG PRO 11 2.559 -10.883 4.396
73 HD2 PRO 11 2HD PRO 11 1.252 -10.792 1.947
74 HD3 PRO 11 1HD PRO 11 1.945 -9.389 2.775
75 H VAL 12 HN VAL 12 2.840 -11.834 -0.170
76 HA VAL 12 HA VAL 12 4.228 -14.414 -0.546
77 HB VAL 12 HB VAL 12 1.509 -13.587 -1.581
78 HG11 VAL 12 1HG1 VAL 12 2.457 -15.421 -2.834
79 HG12 VAL 12 2HG1 VAL 12 1.263 -16.100 -1.729
80 HG13 VAL 12 3HG1 VAL 12 2.981 -16.226 -1.355
81 HG21 VAL 12 3HG2 VAL 12 0.646 -14.997 0.297
82 HG22 VAL 12 1HG2 VAL 12 1.486 -13.553 0.864
83 HG23 VAL 12 2HG2 VAL 12 2.291 -15.122 0.919
84 H LEU 13 HN LEU 13 3.696 -11.359 -1.943
85 HA LEU 13 HA LEU 13 4.635 -12.335 -4.559
86 HB2 LEU 13 2HB LEU 13 2.792 -11.193 -5.282
87 HB3 LEU 13 1HB LEU 13 2.666 -10.276 -3.793
88 HG LEU 13 HG LEU 13 4.496 -8.802 -4.532
89 HD11 LEU 13 1HD1 LEU 13 5.862 -9.382 -6.269
90 HD12 LEU 13 2HD1 LEU 13 4.484 -9.577 -7.348
91 HD13 LEU 13 3HD1 LEU 13 5.012 -10.919 -6.350
92 HD21 LEU 13 3HD2 LEU 13 3.306 -7.733 -6.447
93 HD22 LEU 13 1HD2 LEU 13 2.259 -8.105 -5.083
94 HD23 LEU 13 2HD2 LEU 13 2.231 -9.128 -6.514
95 H GLY 14 HN GLY 14 5.059 -9.847 -2.055
96 HA2 GLY 14 2HA GLY 14 7.417 -9.443 -1.419
97 HA3 GLY 14 1HA GLY 14 7.771 -9.317 -3.138
98 H ILE 15 HN ILE 15 4.816 -7.883 -2.708
99 HA ILE 15 HA ILE 15 5.754 -5.291 -1.774
100 HB ILE 15 HB ILE 15 4.994 -4.131 -3.849
101 HG12 ILE 15 2HG1 ILE 15 5.222 -6.716 -5.341
102 HG13 ILE 15 1HG1 ILE 15 3.713 -6.391 -4.501
103 HG21 ILE 15 1HG2 ILE 15 7.412 -4.826 -3.359
104 HG22 ILE 15 2HG2 ILE 15 7.028 -4.494 -5.047
105 HG23 ILE 15 3HG2 ILE 15 7.147 -6.160 -4.481
106 HD11 ILE 15 3HD1 ILE 15 4.101 -5.555 -6.993
107 HD12 ILE 15 1HD1 ILE 15 4.870 -4.204 -6.164
108 HD13 ILE 15 2HD1 ILE 15 3.180 -4.594 -5.833
109 H CYS 16 HN CYS 16 3.717 -3.688 -2.533
110 HA CYS 16 HA CYS 16 1.466 -4.851 -1.107
111 HB2 CYS 16 2HB CYS 16 1.755 -2.031 -2.128
112 HB3 CYS 16 1HB CYS 16 0.668 -2.619 -0.870
113 H THR 17 HN THR 17 -0.543 -5.123 -1.931
114 HA THR 17 HA THR 17 -0.890 -4.645 -4.833
115 HB THR 17 HB THR 17 -2.127 -6.761 -4.989
116 HG1 THR 17 1HG THR 17 -1.190 -7.254 -2.367
117 HG21 THR 17 3HG2 THR 17 0.154 -6.932 -5.591
118 HG22 THR 17 1HG2 THR 17 -0.124 -8.277 -4.484
119 HG23 THR 17 2HG2 THR 17 0.686 -6.818 -3.913
120 H ILE 18 HN ILE 18 -3.111 -4.405 -5.528
121 HA ILE 18 HA ILE 18 -4.601 -2.714 -3.903
122 HB ILE 18 HB ILE 18 -4.685 -2.939 -6.423
123 HG12 ILE 18 2HG1 ILE 18 -7.432 -3.126 -5.210
124 HG13 ILE 18 1HG1 ILE 18 -6.384 -1.767 -4.821
125 HG21 ILE 18 1HG2 ILE 18 -5.080 -5.505 -6.117
126 HG22 ILE 18 2HG2 ILE 18 -5.934 -4.659 -7.408
127 HG23 ILE 18 3HG2 ILE 18 -6.770 -5.043 -5.902
128 HD11 ILE 18 3HD1 ILE 18 -6.604 -0.843 -6.867
129 HD12 ILE 18 1HD1 ILE 18 -8.037 -1.862 -6.994
130 HD13 ILE 18 2HD1 ILE 18 -6.511 -2.402 -7.688
131 H THR 19 HN THR 19 -6.095 -3.053 -2.375
132 HA THR 19 HA THR 19 -6.636 -5.792 -1.566
133 HB THR 19 HB THR 19 -6.204 -4.498 0.308
134 HG1 THR 19 1HG THR 19 -8.916 -3.892 0.282
135 HG21 THR 19 3HG2 THR 19 -7.539 -2.202 0.476
136 HG22 THR 19 1HG2 THR 19 -7.529 -2.347 -1.282
137 HG23 THR 19 2HG2 THR 19 -6.007 -2.309 -0.390
138 H LEU 20 HN LEU 20 -8.803 -6.563 -1.171
139 HA LEU 20 HA LEU 20 -10.570 -6.108 -3.314
140 HB2 LEU 20 2HB LEU 20 -10.720 -7.592 -0.712
141 HB3 LEU 20 1HB LEU 20 -12.177 -7.366 -1.664
142 HG LEU 20 HG LEU 20 -10.939 -9.515 -2.181
143 HD11 LEU 20 1HD1 LEU 20 -12.191 -7.723 -3.914
144 HD12 LEU 20 2HD1 LEU 20 -11.809 -9.403 -4.273
145 HD13 LEU 20 3HD1 LEU 20 -10.690 -8.124 -4.743
146 HD21 LEU 20 3HD2 LEU 20 -8.935 -7.749 -3.587
147 HD22 LEU 20 1HD2 LEU 20 -8.812 -9.467 -3.214
148 HD23 LEU 20 2HD2 LEU 20 -8.673 -8.273 -1.925
149 H SER 21 HN SER 21 -10.197 -4.573 -0.243
150 HA SER 21 HA SER 21 -12.785 -3.523 0.109
151 HB2 SER 21 2HB SER 21 -11.749 -1.938 1.626
152 HB3 SER 21 1HB SER 21 -11.001 -3.518 1.847
153 HG SER 21 HG SER 21 -9.249 -2.359 1.550
154 H ARG 22 HN ARG 22 -10.228 -2.694 -2.059
155 HA ARG 22 HA ARG 22 -10.760 -0.005 -2.580
156 HB2 ARG 22 2HB ARG 22 -8.839 -1.401 -3.475
157 HB3 ARG 22 1HB ARG 22 -9.964 -2.033 -4.676
158 HG2 ARG 22 2HG ARG 22 -9.307 -0.234 -5.912
159 HG3 ARG 22 1HG ARG 22 -10.430 0.657 -4.889
160 HD2 ARG 22 2HD ARG 22 -7.477 0.279 -4.319
161 HD3 ARG 22 1HD ARG 22 -8.204 1.744 -4.968
162 HE ARG 22 HE ARG 22 -8.356 0.806 -2.221
163 HH11 ARG 22 1HH2 ARG 22 -9.634 2.841 -4.709
164 HH12 ARG 22 2HH2 ARG 22 -10.372 3.956 -3.609
165 HH21 ARG 22 1HH1 ARG 22 -9.321 2.264 -0.771
166 HH22 ARG 22 2HH1 ARG 22 -10.195 3.630 -1.379
167 H ILE 23 HN ILE 23 -12.390 -2.924 -3.657
168 HA ILE 23 HA ILE 23 -13.874 -2.167 -5.795
169 HB ILE 23 HB ILE 23 -14.817 -3.662 -3.354
170 HG12 ILE 23 2HG1 ILE 23 -14.042 -4.691 -6.096
171 HG13 ILE 23 1HG1 ILE 23 -12.887 -4.557 -4.769
172 HG21 ILE 23 1HG2 ILE 23 -16.861 -3.184 -4.303
173 HG22 ILE 23 2HG2 ILE 23 -16.418 -4.566 -5.305
174 HG23 ILE 23 3HG2 ILE 23 -16.175 -2.927 -5.907
175 HD11 ILE 23 3HD1 ILE 23 -15.503 -6.000 -4.377
176 HD12 ILE 23 1HD1 ILE 23 -13.997 -6.175 -3.473
177 HD13 ILE 23 2HD1 ILE 23 -14.126 -6.825 -5.107
178 H GLU 24 HN GLU 24 -15.597 -2.032 -2.769
179 HA GLU 24 HA GLU 24 -16.336 0.770 -3.253
180 HB2 GLU 24 2HB GLU 24 -18.292 -1.517 -2.960
181 HB3 GLU 24 1HB GLU 24 -18.742 0.185 -2.816
182 HG2 GLU 24 2HG GLU 24 -17.871 0.594 -5.094
183 HG3 GLU 24 1HG GLU 24 -17.467 -1.112 -5.238
184 H HIS 25 HN HIS 25 -18.360 -0.950 -1.124
185 HA HIS 25 HA HIS 25 -18.661 -0.848 1.148
186 HB2 HIS 25 2HB HIS 25 -15.637 -0.881 1.247
187 HB3 HIS 25 1HB HIS 25 -16.753 -1.405 2.509
188 HD2 HIS 25 2HD HIS 25 -14.951 -2.899 -0.522
189 HE1 HIS 25 1HE HIS 25 -18.008 -5.628 0.487
190 HE2 HIS 25 2HE HIS 25 -15.918 -5.292 -0.914
191 HA PRO 26 HA PRO 26 -17.725 3.780 0.865
192 HB2 PRO 26 2HB PRO 26 -20.560 3.741 1.798
193 HB3 PRO 26 1HB PRO 26 -19.785 4.766 0.575
194 HG2 PRO 26 2HG PRO 26 -21.399 2.779 -0.116
195 HG3 PRO 26 1HG PRO 26 -19.957 3.176 -1.068
196 HD2 PRO 26 2HD PRO 26 -20.410 0.886 0.805
197 HD3 PRO 26 1HD PRO 26 -19.452 0.959 -0.689
198 H GLY 27 HN GLY 27 -19.421 1.788 3.249
199 HA2 GLY 27 2HA GLY 27 -19.181 3.507 5.467
200 HA3 GLY 27 1HA GLY 27 -19.373 1.759 5.549
201 H ASN 28 HN ASN 28 -17.010 1.045 4.139
202 HA ASN 28 HA ASN 28 -15.133 1.006 6.231
203 HB2 ASN 28 2HB ASN 28 -15.284 -0.623 4.307
204 HB3 ASN 28 1HB ASN 28 -14.521 0.607 3.302
205 HD21 ASN 28 1HD2 ASN 28 -12.480 -0.443 3.012
206 HD22 ASN 28 2HD2 ASN 28 -11.423 -0.766 4.301
207 H TYR 29 HN TYR 29 -15.420 3.037 3.361
208 HA TYR 29 HA TYR 29 -13.038 4.569 4.182
209 HB2 TYR 29 2HB TYR 29 -14.762 4.742 1.700
210 HB3 TYR 29 1HB TYR 29 -13.324 5.717 2.002
211 HD1 TYR 29 2HD TYR 29 -14.581 2.316 1.342
212 HD2 TYR 29 1HD TYR 29 -11.096 4.758 1.901
213 HE1 TYR 29 2HE TYR 29 -13.159 0.476 0.492
214 HE2 TYR 29 1HE TYR 29 -9.670 2.918 1.048
215 HH TYR 29 HH TYR 29 -11.054 -0.250 0.229
216 H ASP 30 HN ASP 30 -16.229 4.567 4.919
217 HA ASP 30 HA ASP 30 -17.732 6.130 5.695
218 HB2 ASP 30 2HB ASP 30 -15.799 6.339 7.312
219 HB3 ASP 30 1HB ASP 30 -15.256 7.725 6.369
220 H TYR 31 HN TYR 31 -17.558 6.314 3.014
221 HA TYR 31 HA TYR 31 -16.735 8.540 1.698
222 HB2 TYR 31 2HB TYR 31 -18.435 8.164 0.124
223 HB3 TYR 31 1HB TYR 31 -18.214 6.583 0.873
224 HD1 TYR 31 2HD TYR 31 -19.802 5.812 2.654
225 HD2 TYR 31 1HD TYR 31 -20.474 9.396 0.383
226 HE1 TYR 31 2HE TYR 31 -22.178 5.816 3.362
227 HE2 TYR 31 1HE TYR 31 -22.850 9.400 1.092
228 HH TYR 31 HH TYR 31 -24.307 8.516 2.638
Start of MODEL 7
1 H1 PCA 1 HN PCA 1 7.714 -2.264 5.693
2 HA PCA 1 HA PCA 1 7.517 -2.544 3.108
3 HB2 PCA 1 2HB PCA 1 5.028 -3.998 3.143
4 HB3 PCA 1 1HB PCA 1 6.630 -4.582 2.593
5 HG2 PCA 1 1HG PCA 1 6.794 -5.874 4.458
6 HG3 PCA 1 2HG PCA 1 5.222 -5.246 5.048
7 H TRP 2 HN TRP 2 7.087 -0.396 3.212
8 HA TRP 2 HA TRP 2 4.595 0.575 4.210
9 HB2 TRP 2 2HB TRP 2 6.639 1.972 4.043
10 HB3 TRP 2 1HB TRP 2 6.516 1.900 2.285
11 HD1 TRP 2 HD TRP 2 4.848 3.409 5.356
12 HE1 TRP 2 1HE TRP 2 3.205 5.245 4.599
13 HE3 TRP 2 3HE TRP 2 4.991 2.690 0.305
14 HZ2 TRP 2 2HZ TRP 2 2.099 6.274 2.170
15 HZ3 TRP 2 3HZ TRP 2 3.634 4.111 -1.208
16 HH2 TRP 2 HH TRP 2 2.190 5.900 -0.282
17 H CYS 3 HN CYS 3 2.667 0.761 3.233
18 HA CYS 3 HA CYS 3 2.522 0.203 0.328
19 HB2 CYS 3 2HB CYS 3 0.557 -0.565 2.495
20 HB3 CYS 3 1HB CYS 3 0.307 -0.808 0.767
21 H GLN 4 HN GLN 4 0.863 1.250 -0.852
22 HA GLN 4 HA GLN 4 0.278 3.885 0.201
23 HB2 GLN 4 2HB GLN 4 -0.823 3.448 -2.411
24 HB3 GLN 4 1HB GLN 4 0.492 4.521 -1.940
25 HG2 GLN 4 2HG GLN 4 2.052 2.571 -2.018
26 HG3 GLN 4 1HG GLN 4 0.721 1.572 -2.603
27 HE21 GLN 4 1HE2 GLN 4 3.362 2.775 -3.865
28 HE22 GLN 4 2HE2 GLN 4 2.810 3.358 -5.362
29 HA PRO 5 HA PRO 5 -4.026 3.411 1.073
30 HB2 PRO 5 2HB PRO 5 -4.838 5.312 -1.050
31 HB3 PRO 5 1HB PRO 5 -5.074 5.411 0.703
32 HG2 PRO 5 2HG PRO 5 -3.313 6.938 -0.615
33 HG3 PRO 5 1HG PRO 5 -3.063 6.414 1.055
34 HD2 PRO 5 2HD PRO 5 -1.746 5.453 -1.444
35 HD3 PRO 5 1HD PRO 5 -1.128 5.543 0.217
36 H GLY 6 HN GLY 6 -5.627 2.037 0.475
37 HA2 GLY 6 2HA GLY 6 -7.080 0.840 -0.900
38 HA3 GLY 6 1HA GLY 6 -6.346 1.619 -2.298
39 H TYR 7 HN TYR 7 -3.829 0.514 -0.495
40 HA TYR 7 HA TYR 7 -3.776 -2.105 -1.862
41 HB2 TYR 7 2HB TYR 7 -1.626 -0.052 -1.552
42 HB3 TYR 7 1HB TYR 7 -1.212 -1.731 -1.798
43 HD1 TYR 7 1HD TYR 7 -3.444 0.938 -3.216
44 HD2 TYR 7 2HD TYR 7 -1.053 -2.547 -3.964
45 HE1 TYR 7 1HE TYR 7 -3.878 1.163 -5.648
46 HE2 TYR 7 2HE TYR 7 -1.498 -2.333 -6.398
47 HH TYR 7 HH TYR 7 -2.301 0.165 -7.894
48 H ALA 8 HN ALA 8 -2.266 -3.649 -0.843
49 HA ALA 8 HA ALA 8 -1.842 -3.232 2.023
50 HB1 ALA 8 1HB ALA 8 -3.089 -5.810 1.112
51 HB2 ALA 8 2HB ALA 8 -4.104 -4.418 1.491
52 HB3 ALA 8 3HB ALA 8 -3.050 -5.102 2.727
53 H TYR 9 HN TYR 9 0.005 -4.134 2.734
54 HA TYR 9 HA TYR 9 2.007 -4.922 1.049
55 HB2 TYR 9 2HB TYR 9 2.579 -4.347 3.278
56 HB3 TYR 9 1HB TYR 9 1.541 -5.612 3.936
57 HD1 TYR 9 2HD TYR 9 4.004 -5.748 1.091
58 HD2 TYR 9 1HD TYR 9 2.963 -7.113 5.033
59 HE1 TYR 9 2HE TYR 9 5.885 -7.337 1.031
60 HE2 TYR 9 1HE TYR 9 4.855 -8.713 4.973
61 HH TYR 9 HH TYR 9 6.568 -9.489 3.801
62 H ASN 10 HN ASN 10 2.632 -6.752 0.049
63 HA ASN 10 HA ASN 10 0.994 -9.155 0.505
64 HB2 ASN 10 2HB ASN 10 1.023 -7.764 -1.766
65 HB3 ASN 10 1HB ASN 10 2.377 -8.835 -2.073
66 HD21 ASN 10 1HD2 ASN 10 1.941 -11.141 -2.230
67 HD22 ASN 10 2HD2 ASN 10 0.363 -11.738 -2.368
68 HA PRO 11 HA PRO 11 5.291 -10.449 1.553
69 HB2 PRO 11 2HB PRO 11 4.575 -12.374 3.377
70 HB3 PRO 11 1HB PRO 11 4.749 -10.662 3.771
71 HG2 PRO 11 2HG PRO 11 2.308 -12.251 3.353
72 HG3 PRO 11 1HG PRO 11 2.583 -10.870 4.413
73 HD2 PRO 11 2HD PRO 11 1.258 -10.778 1.976
74 HD3 PRO 11 1HD PRO 11 1.957 -9.370 2.792
75 H VAL 12 HN VAL 12 2.821 -11.830 -0.144
76 HA VAL 12 HA VAL 12 4.193 -14.415 -0.498
77 HB VAL 12 HB VAL 12 1.477 -13.579 -1.548
78 HG11 VAL 12 1HG1 VAL 12 1.793 -16.386 -1.086
79 HG12 VAL 12 2HG1 VAL 12 3.175 -15.832 -2.024
80 HG13 VAL 12 3HG1 VAL 12 1.541 -15.560 -2.622
81 HG21 VAL 12 3HG2 VAL 12 0.576 -14.917 0.342
82 HG22 VAL 12 1HG2 VAL 12 1.489 -13.519 0.910
83 HG23 VAL 12 2HG2 VAL 12 2.214 -15.125 0.959
84 H LEU 13 HN LEU 13 3.665 -11.367 -1.926
85 HA LEU 13 HA LEU 13 4.617 -12.360 -4.528
86 HB2 LEU 13 2HB LEU 13 2.791 -11.221 -5.246
87 HB3 LEU 13 1HB LEU 13 2.663 -10.291 -3.765
88 HG LEU 13 HG LEU 13 4.487 -8.815 -4.501
89 HD11 LEU 13 1HD1 LEU 13 5.891 -9.443 -6.185
90 HD12 LEU 13 2HD1 LEU 13 4.528 -9.585 -7.295
91 HD13 LEU 13 3HD1 LEU 13 5.007 -10.958 -6.309
92 HD21 LEU 13 3HD2 LEU 13 2.239 -8.161 -5.082
93 HD22 LEU 13 1HD2 LEU 13 2.258 -9.179 -6.519
94 HD23 LEU 13 2HD2 LEU 13 3.311 -7.767 -6.421
95 H GLY 14 HN GLY 14 5.023 -9.808 -2.087
96 HA2 GLY 14 2HA GLY 14 7.397 -9.415 -1.440
97 HA3 GLY 14 1HA GLY 14 7.739 -9.311 -3.160
98 H ILE 15 HN ILE 15 4.768 -7.878 -2.713
99 HA ILE 15 HA ILE 15 5.722 -5.286 -1.808
100 HB ILE 15 HB ILE 15 4.933 -4.148 -3.887
101 HG12 ILE 15 2HG1 ILE 15 5.204 -6.740 -5.366
102 HG13 ILE 15 1HG1 ILE 15 3.686 -6.442 -4.528
103 HG21 ILE 15 1HG2 ILE 15 6.971 -4.496 -5.086
104 HG22 ILE 15 2HG2 ILE 15 7.118 -6.151 -4.495
105 HG23 ILE 15 3HG2 ILE 15 7.361 -4.797 -3.392
106 HD11 ILE 15 3HD1 ILE 15 4.799 -4.234 -6.198
107 HD12 ILE 15 1HD1 ILE 15 3.119 -4.668 -5.875
108 HD13 ILE 15 2HD1 ILE 15 4.070 -5.609 -7.026
109 H CYS 16 HN CYS 16 3.677 -3.684 -2.570
110 HA CYS 16 HA CYS 16 1.432 -4.837 -1.116
111 HB2 CYS 16 2HB CYS 16 1.683 -2.020 -2.159
112 HB3 CYS 16 1HB CYS 16 0.657 -2.611 -0.854
113 H THR 17 HN THR 17 -0.564 -5.145 -1.923
114 HA THR 17 HA THR 17 -0.949 -4.671 -4.821
115 HB THR 17 HB THR 17 -2.161 -6.801 -4.963
116 HG1 THR 17 1HG THR 17 -2.829 -7.009 -2.839
117 HG21 THR 17 3HG2 THR 17 0.108 -6.962 -5.590
118 HG22 THR 17 1HG2 THR 17 -0.127 -8.291 -4.456
119 HG23 THR 17 2HG2 THR 17 0.665 -6.808 -3.924
120 H ILE 18 HN ILE 18 -3.105 -4.312 -5.493
121 HA ILE 18 HA ILE 18 -4.623 -2.698 -3.825
122 HB ILE 18 HB ILE 18 -4.676 -2.977 -6.399
123 HG12 ILE 18 2HG1 ILE 18 -7.368 -2.734 -5.047
124 HG13 ILE 18 1HG1 ILE 18 -6.138 -1.483 -4.882
125 HG21 ILE 18 1HG2 ILE 18 -6.253 -4.504 -7.282
126 HG22 ILE 18 2HG2 ILE 18 -6.972 -4.807 -5.699
127 HG23 ILE 18 3HG2 ILE 18 -5.363 -5.437 -6.080
128 HD11 ILE 18 3HD1 ILE 18 -6.466 -0.722 -6.961
129 HD12 ILE 18 1HD1 ILE 18 -7.964 -1.648 -6.933
130 HD13 ILE 18 2HD1 ILE 18 -6.513 -2.346 -7.646
131 H THR 19 HN THR 19 -6.175 -3.044 -2.361
132 HA THR 19 HA THR 19 -6.689 -5.796 -1.567
133 HB THR 19 HB THR 19 -6.325 -4.534 0.331
134 HG1 THR 19 1HG THR 19 -9.096 -4.118 -0.057
135 HG21 THR 19 3HG2 THR 19 -7.556 -2.213 0.513
136 HG22 THR 19 1HG2 THR 19 -7.620 -2.337 -1.245
137 HG23 THR 19 2HG2 THR 19 -6.063 -2.348 -0.416
138 H LEU 20 HN LEU 20 -8.743 -6.744 -1.449
139 HA LEU 20 HA LEU 20 -10.503 -6.199 -3.538
140 HB2 LEU 20 2HB LEU 20 -10.206 -8.347 -2.101
141 HB3 LEU 20 1HB LEU 20 -11.360 -7.593 -1.011
142 HG LEU 20 HG LEU 20 -11.936 -7.845 -3.975
143 HD11 LEU 20 1HD1 LEU 20 -12.035 -9.900 -1.839
144 HD12 LEU 20 2HD1 LEU 20 -11.746 -10.078 -3.570
145 HD13 LEU 20 3HD1 LEU 20 -13.387 -9.833 -2.971
146 HD21 LEU 20 3HD2 LEU 20 -13.363 -6.887 -1.602
147 HD22 LEU 20 1HD2 LEU 20 -14.271 -8.118 -2.471
148 HD23 LEU 20 2HD2 LEU 20 -13.744 -6.660 -3.302
149 H SER 21 HN SER 21 -10.306 -4.942 -0.327
150 HA SER 21 HA SER 21 -12.902 -4.043 0.095
151 HB2 SER 21 2HB SER 21 -10.287 -2.769 0.913
152 HB3 SER 21 1HB SER 21 -11.863 -2.293 1.536
153 HG SER 21 HG SER 21 -11.655 -4.938 1.689
154 H ARG 22 HN ARG 22 -10.291 -2.606 -1.794
155 HA ARG 22 HA ARG 22 -11.369 -0.071 -2.255
156 HB2 ARG 22 2HB ARG 22 -9.114 -0.504 -2.924
157 HB3 ARG 22 1HB ARG 22 -9.614 -1.824 -3.988
158 HG2 ARG 22 2HG ARG 22 -10.563 -0.359 -5.562
159 HG3 ARG 22 1HG ARG 22 -10.695 0.962 -4.402
160 HD2 ARG 22 2HD ARG 22 -8.004 -0.129 -5.138
161 HD3 ARG 22 1HD ARG 22 -8.792 1.032 -6.196
162 HE ARG 22 HE ARG 22 -8.772 1.918 -3.470
163 HH11 ARG 22 1HH2 ARG 22 -6.863 1.547 -6.332
164 HH12 ARG 22 2HH2 ARG 22 -5.792 2.855 -5.955
165 HH21 ARG 22 1HH1 ARG 22 -7.374 3.635 -2.969
166 HH22 ARG 22 2HH1 ARG 22 -6.082 4.038 -4.050
167 H ILE 23 HN ILE 23 -11.968 -3.144 -3.898
168 HA ILE 23 HA ILE 23 -13.328 -2.484 -6.131
169 HB ILE 23 HB ILE 23 -14.235 -4.503 -4.081
170 HG12 ILE 23 2HG1 ILE 23 -11.889 -4.814 -4.823
171 HG13 ILE 23 1HG1 ILE 23 -12.923 -6.098 -5.445
172 HG21 ILE 23 1HG2 ILE 23 -16.040 -4.615 -5.473
173 HG22 ILE 23 2HG2 ILE 23 -14.931 -5.496 -6.525
174 HG23 ILE 23 3HG2 ILE 23 -15.197 -3.771 -6.775
175 HD11 ILE 23 3HD1 ILE 23 -11.563 -3.869 -6.910
176 HD12 ILE 23 1HD1 ILE 23 -13.126 -4.393 -7.517
177 HD13 ILE 23 2HD1 ILE 23 -11.806 -5.544 -7.400
178 H GLU 24 HN GLU 24 -15.459 -3.320 -3.510
179 HA GLU 24 HA GLU 24 -16.821 -0.730 -3.716
180 HB2 GLU 24 2HB GLU 24 -18.147 -3.404 -4.208
181 HB3 GLU 24 1HB GLU 24 -19.024 -1.895 -3.952
182 HG2 GLU 24 2HG GLU 24 -17.857 -0.899 -5.897
183 HG3 GLU 24 1HG GLU 24 -17.026 -2.428 -6.168
184 H HIS 25 HN HIS 25 -15.429 -1.121 -1.544
185 HA HIS 25 HA HIS 25 -17.446 -1.866 0.489
186 HB2 HIS 25 2HB HIS 25 -14.511 -2.536 0.703
187 HB3 HIS 25 1HB HIS 25 -15.791 -2.989 1.823
188 HD2 HIS 25 2HD HIS 25 -14.549 -3.991 -1.784
189 HE1 HIS 25 1HE HIS 25 -17.402 -6.834 -0.521
190 HE2 HIS 25 2HE HIS 25 -15.719 -6.258 -2.334
191 HA PRO 26 HA PRO 26 -15.697 2.468 0.992
192 HB2 PRO 26 2HB PRO 26 -18.476 2.775 2.030
193 HB3 PRO 26 1HB PRO 26 -17.552 3.827 0.941
194 HG2 PRO 26 2HG PRO 26 -19.509 2.279 0.036
195 HG3 PRO 26 1HG PRO 26 -18.041 2.570 -0.915
196 HD2 PRO 26 2HD PRO 26 -18.846 0.124 0.613
197 HD3 PRO 26 1HD PRO 26 -17.921 0.266 -0.899
198 H GLY 27 HN GLY 27 -17.673 0.435 3.110
199 HA2 GLY 27 2HA GLY 27 -17.140 1.713 5.559
200 HA3 GLY 27 1HA GLY 27 -17.585 0.020 5.373
201 H ASN 28 HN ASN 28 -15.373 -0.803 3.808
202 HA ASN 28 HA ASN 28 -13.288 -1.717 4.110
203 HB2 ASN 28 2HB ASN 28 -12.760 0.936 5.458
204 HB3 ASN 28 1HB ASN 28 -11.543 -0.178 4.836
205 HD21 ASN 28 1HD2 ASN 28 -11.819 -0.700 2.383
206 HD22 ASN 28 2HD2 ASN 28 -12.305 0.583 1.385
207 H TYR 29 HN TYR 29 -15.266 -2.320 6.094
208 HA TYR 29 HA TYR 29 -15.454 -3.322 8.155
209 HB2 TYR 29 2HB TYR 29 -12.434 -3.484 8.024
210 HB3 TYR 29 1HB TYR 29 -13.514 -4.498 8.980
211 HD1 TYR 29 1HD TYR 29 -14.964 -6.173 7.901
212 HD2 TYR 29 2HD TYR 29 -12.204 -3.792 5.630
213 HE1 TYR 29 1HE TYR 29 -15.221 -7.714 5.975
214 HE2 TYR 29 2HE TYR 29 -12.462 -5.327 3.704
215 HH TYR 29 HH TYR 29 -14.893 -7.381 3.301
216 H ASP 30 HN ASP 30 -14.830 -0.351 7.867
217 HA ASP 30 HA ASP 30 -14.393 1.460 9.214
218 HB2 ASP 30 2HB ASP 30 -16.326 0.322 10.385
219 HB3 ASP 30 1HB ASP 30 -15.142 -0.415 11.462
220 H TYR 31 HN TYR 31 -12.103 0.004 8.550
221 HA TYR 31 HA TYR 31 -10.503 -0.649 10.810
222 HB2 TYR 31 2HB TYR 31 -9.911 -1.539 8.649
223 HB3 TYR 31 1HB TYR 31 -9.768 0.082 7.968
224 HD1 TYR 31 1HD TYR 31 -8.367 -2.131 10.639
225 HD2 TYR 31 2HD TYR 31 -7.717 1.233 8.049
226 HE1 TYR 31 1HE TYR 31 -5.995 -2.036 11.357
227 HE2 TYR 31 2HE TYR 31 -5.345 1.328 8.767
228 HH TYR 31 HH TYR 31 -3.689 0.102 9.799
Start of MODEL 8
1 H1 PCA 1 HN PCA 1 7.218 -2.387 5.951
2 HA PCA 1 HA PCA 1 7.468 -2.435 3.320
3 HB2 PCA 1 2HB PCA 1 5.012 -3.970 2.985
4 HB3 PCA 1 1HB PCA 1 6.665 -4.366 2.418
5 HG2 PCA 1 1HG PCA 1 6.917 -5.865 4.110
6 HG3 PCA 1 2HG PCA 1 5.246 -5.514 4.655
7 H TRP 2 HN TRP 2 6.940 -0.339 3.380
8 HA TRP 2 HA TRP 2 4.401 0.576 4.275
9 HB2 TRP 2 2HB TRP 2 6.425 2.014 4.138
10 HB3 TRP 2 1HB TRP 2 6.329 1.935 2.379
11 HD1 TRP 2 HD TRP 2 4.580 3.409 5.423
12 HE1 TRP 2 1HE TRP 2 2.910 5.209 4.639
13 HE3 TRP 2 3HE TRP 2 4.823 2.694 0.374
14 HZ2 TRP 2 2HZ TRP 2 1.821 6.214 2.192
15 HZ3 TRP 2 3HZ TRP 2 3.460 4.087 -1.160
16 HH2 TRP 2 HH TRP 2 1.962 5.843 -0.259
17 H CYS 3 HN CYS 3 2.494 0.716 3.254
18 HA CYS 3 HA CYS 3 2.427 0.123 0.354
19 HB2 CYS 3 2HB CYS 3 0.411 -0.616 2.486
20 HB3 CYS 3 1HB CYS 3 0.215 -0.903 0.756
21 H GLN 4 HN GLN 4 0.885 1.195 -0.894
22 HA GLN 4 HA GLN 4 0.237 3.833 0.066
23 HB2 GLN 4 2HB GLN 4 -0.852 3.273 -2.538
24 HB3 GLN 4 1HB GLN 4 0.435 4.394 -2.100
25 HG2 GLN 4 2HG GLN 4 2.030 2.462 -2.066
26 HG3 GLN 4 1HG GLN 4 0.728 1.428 -2.656
27 HE21 GLN 4 1HE2 GLN 4 1.088 1.066 -4.845
28 HE22 GLN 4 2HE2 GLN 4 1.535 2.260 -5.965
29 HA PRO 5 HA PRO 5 -4.063 3.409 0.958
30 HB2 PRO 5 2HB PRO 5 -4.865 5.239 -1.222
31 HB3 PRO 5 1HB PRO 5 -5.101 5.399 0.526
32 HG2 PRO 5 2HG PRO 5 -3.333 6.869 -0.845
33 HG3 PRO 5 1HG PRO 5 -3.087 6.406 0.844
34 HD2 PRO 5 2HD PRO 5 -1.769 5.353 -1.619
35 HD3 PRO 5 1HD PRO 5 -1.156 5.494 0.040
36 H GLY 6 HN GLY 6 -5.641 2.001 0.414
37 HA2 GLY 6 2HA GLY 6 -7.100 0.752 -0.907
38 HA3 GLY 6 1HA GLY 6 -6.410 1.515 -2.334
39 H TYR 7 HN TYR 7 -3.857 0.453 -0.535
40 HA TYR 7 HA TYR 7 -3.785 -2.172 -1.896
41 HB2 TYR 7 2HB TYR 7 -1.654 -0.098 -1.580
42 HB3 TYR 7 1HB TYR 7 -1.223 -1.777 -1.806
43 HD1 TYR 7 1HD TYR 7 -3.549 0.792 -3.256
44 HD2 TYR 7 2HD TYR 7 -0.955 -2.551 -3.975
45 HE1 TYR 7 1HE TYR 7 -3.959 1.002 -5.693
46 HE2 TYR 7 2HE TYR 7 -1.370 -2.348 -6.415
47 HH TYR 7 HH TYR 7 -2.065 -0.499 -8.008
48 H ALA 8 HN ALA 8 -2.254 -3.699 -0.866
49 HA ALA 8 HA ALA 8 -1.849 -3.273 2.001
50 HB1 ALA 8 1HB ALA 8 -3.159 -5.810 1.022
51 HB2 ALA 8 2HB ALA 8 -4.102 -4.423 1.569
52 HB3 ALA 8 3HB ALA 8 -2.995 -5.230 2.680
53 H TYR 9 HN TYR 9 -0.005 -4.177 2.727
54 HA TYR 9 HA TYR 9 2.020 -4.955 1.067
55 HB2 TYR 9 2HB TYR 9 2.559 -4.409 3.311
56 HB3 TYR 9 1HB TYR 9 1.510 -5.679 3.938
57 HD1 TYR 9 2HD TYR 9 3.999 -5.813 1.117
58 HD2 TYR 9 1HD TYR 9 2.934 -7.175 5.053
59 HE1 TYR 9 2HE TYR 9 5.875 -7.402 1.066
60 HE2 TYR 9 1HE TYR 9 4.821 -8.780 5.000
61 HH TYR 9 HH TYR 9 6.839 -9.148 2.097
62 H ASN 10 HN ASN 10 2.654 -6.772 0.050
63 HA ASN 10 HA ASN 10 1.019 -9.183 0.468
64 HB2 ASN 10 2HB ASN 10 1.048 -7.774 -1.790
65 HB3 ASN 10 1HB ASN 10 2.411 -8.830 -2.101
66 HD21 ASN 10 1HD2 ASN 10 1.998 -11.136 -2.282
67 HD22 ASN 10 2HD2 ASN 10 0.426 -11.747 -2.433
68 HA PRO 11 HA PRO 11 5.317 -10.465 1.528
69 HB2 PRO 11 2HB PRO 11 4.596 -12.421 3.315
70 HB3 PRO 11 1HB PRO 11 4.758 -10.713 3.736
71 HG2 PRO 11 2HG PRO 11 2.329 -12.308 3.276
72 HG3 PRO 11 1HG PRO 11 2.588 -10.943 4.359
73 HD2 PRO 11 2HD PRO 11 1.281 -10.821 1.916
74 HD3 PRO 11 1HD PRO 11 1.969 -9.424 2.757
75 H VAL 12 HN VAL 12 2.853 -11.851 -0.186
76 HA VAL 12 HA VAL 12 4.243 -14.421 -0.573
77 HB VAL 12 HB VAL 12 1.533 -13.575 -1.620
78 HG11 VAL 12 1HG1 VAL 12 1.258 -16.062 -1.825
79 HG12 VAL 12 2HG1 VAL 12 2.952 -16.243 -1.367
80 HG13 VAL 12 3HG1 VAL 12 2.526 -15.414 -2.864
81 HG21 VAL 12 3HG2 VAL 12 2.352 -15.008 0.921
82 HG22 VAL 12 1HG2 VAL 12 0.722 -15.109 0.254
83 HG23 VAL 12 2HG2 VAL 12 1.367 -13.551 0.775
84 H LEU 13 HN LEU 13 3.724 -11.356 -1.963
85 HA LEU 13 HA LEU 13 4.690 -12.318 -4.570
86 HB2 LEU 13 2HB LEU 13 2.869 -11.170 -5.294
87 HB3 LEU 13 1HB LEU 13 2.715 -10.271 -3.799
88 HG LEU 13 HG LEU 13 4.547 -8.775 -4.486
89 HD11 LEU 13 1HD1 LEU 13 4.581 -9.499 -7.303
90 HD12 LEU 13 2HD1 LEU 13 5.090 -10.871 -6.329
91 HD13 LEU 13 3HD1 LEU 13 5.947 -9.338 -6.198
92 HD21 LEU 13 3HD2 LEU 13 2.311 -8.095 -5.054
93 HD22 LEU 13 1HD2 LEU 13 2.314 -9.092 -6.505
94 HD23 LEU 13 2HD2 LEU 13 3.375 -7.689 -6.394
95 H GLY 14 HN GLY 14 5.082 -9.816 -2.079
96 HA2 GLY 14 2HA GLY 14 7.452 -9.425 -1.420
97 HA3 GLY 14 1HA GLY 14 7.800 -9.287 -3.138
98 H ILE 15 HN ILE 15 4.830 -7.870 -2.696
99 HA ILE 15 HA ILE 15 5.764 -5.295 -1.728
100 HB ILE 15 HB ILE 15 5.008 -4.113 -3.791
101 HG12 ILE 15 2HG1 ILE 15 5.253 -6.673 -5.326
102 HG13 ILE 15 1HG1 ILE 15 3.738 -6.378 -4.485
103 HG21 ILE 15 1HG2 ILE 15 7.169 -6.128 -4.438
104 HG22 ILE 15 2HG2 ILE 15 7.425 -4.805 -3.302
105 HG23 ILE 15 3HG2 ILE 15 7.045 -4.457 -4.988
106 HD11 ILE 15 3HD1 ILE 15 4.100 -5.499 -6.951
107 HD12 ILE 15 1HD1 ILE 15 4.899 -4.165 -6.121
108 HD13 ILE 15 2HD1 ILE 15 3.211 -4.539 -5.769
109 H CYS 16 HN CYS 16 3.711 -3.697 -2.504
110 HA CYS 16 HA CYS 16 1.461 -4.886 -1.087
111 HB2 CYS 16 2HB CYS 16 1.734 -2.052 -2.080
112 HB3 CYS 16 1HB CYS 16 0.656 -2.661 -0.826
113 H THR 17 HN THR 17 -0.535 -5.179 -1.918
114 HA THR 17 HA THR 17 -0.870 -4.681 -4.818
115 HB THR 17 HB THR 17 -2.096 -6.800 -4.991
116 HG1 THR 17 1HG THR 17 -2.860 -7.287 -3.056
117 HG21 THR 17 3HG2 THR 17 0.712 -6.813 -3.914
118 HG22 THR 17 1HG2 THR 17 0.168 -7.017 -5.579
119 HG23 THR 17 2HG2 THR 17 -0.080 -8.310 -4.406
120 H ILE 18 HN ILE 18 -3.040 -4.353 -5.522
121 HA ILE 18 HA ILE 18 -4.559 -2.705 -3.900
122 HB ILE 18 HB ILE 18 -4.611 -2.982 -6.443
123 HG12 ILE 18 2HG1 ILE 18 -7.359 -2.938 -5.202
124 HG13 ILE 18 1HG1 ILE 18 -6.220 -1.634 -4.889
125 HG21 ILE 18 1HG2 ILE 18 -6.030 -4.621 -7.370
126 HG22 ILE 18 2HG2 ILE 18 -6.813 -4.945 -5.823
127 HG23 ILE 18 3HG2 ILE 18 -5.161 -5.497 -6.109
128 HD11 ILE 18 3HD1 ILE 18 -7.904 -1.720 -7.031
129 HD12 ILE 18 1HD1 ILE 18 -6.427 -2.380 -7.719
130 HD13 ILE 18 2HD1 ILE 18 -6.410 -0.789 -6.963
131 H THR 19 HN THR 19 -6.099 -3.035 -2.400
132 HA THR 19 HA THR 19 -6.672 -5.800 -1.644
133 HB THR 19 HB THR 19 -6.100 -4.555 0.248
134 HG1 THR 19 1HG THR 19 -7.826 -5.195 1.214
135 HG21 THR 19 3HG2 THR 19 -7.538 -2.293 0.529
136 HG22 THR 19 1HG2 THR 19 -7.447 -2.366 -1.230
137 HG23 THR 19 2HG2 THR 19 -5.968 -2.337 -0.268
138 H LEU 20 HN LEU 20 -8.887 -6.425 -1.093
139 HA LEU 20 HA LEU 20 -10.706 -5.942 -3.178
140 HB2 LEU 20 2HB LEU 20 -10.682 -7.980 -1.764
141 HB3 LEU 20 1HB LEU 20 -11.348 -7.014 -0.445
142 HG LEU 20 HG LEU 20 -13.295 -6.425 -1.882
143 HD11 LEU 20 1HD1 LEU 20 -12.745 -6.571 -4.118
144 HD12 LEU 20 2HD1 LEU 20 -13.436 -8.180 -3.919
145 HD13 LEU 20 3HD1 LEU 20 -11.687 -7.960 -3.873
146 HD21 LEU 20 3HD2 LEU 20 -13.507 -9.261 -2.205
147 HD22 LEU 20 1HD2 LEU 20 -14.274 -8.223 -1.007
148 HD23 LEU 20 2HD2 LEU 20 -12.676 -8.897 -0.696
149 H SER 21 HN SER 21 -10.152 -4.341 -0.154
150 HA SER 21 HA SER 21 -12.591 -3.095 0.325
151 HB2 SER 21 2HB SER 21 -10.658 -2.956 1.848
152 HB3 SER 21 1HB SER 21 -9.831 -1.917 0.693
153 HG SER 21 HG SER 21 -12.177 -1.420 2.186
154 H ARG 22 HN ARG 22 -10.048 -2.250 -1.981
155 HA ARG 22 HA ARG 22 -10.602 0.270 -2.764
156 HB2 ARG 22 2HB ARG 22 -8.988 -1.353 -3.865
157 HB3 ARG 22 1HB ARG 22 -10.357 -1.969 -4.786
158 HG2 ARG 22 2HG ARG 22 -9.586 -0.341 -6.254
159 HG3 ARG 22 1HG ARG 22 -10.725 0.615 -5.317
160 HD2 ARG 22 2HD ARG 22 -8.895 1.385 -3.855
161 HD3 ARG 22 1HD ARG 22 -7.751 0.419 -4.777
162 HE ARG 22 HE ARG 22 -9.087 2.118 -6.571
163 HH11 ARG 22 1HH2 ARG 22 -6.934 2.246 -3.866
164 HH12 ARG 22 2HH2 ARG 22 -6.158 3.708 -4.374
165 HH21 ARG 22 1HH1 ARG 22 -8.074 4.036 -7.246
166 HH22 ARG 22 2HH1 ARG 22 -6.804 4.722 -6.288
167 H ILE 23 HN ILE 23 -12.670 -2.514 -3.199
168 HA ILE 23 HA ILE 23 -14.743 -0.719 -4.303
169 HB ILE 23 HB ILE 23 -14.390 -3.622 -5.066
170 HG12 ILE 23 2HG1 ILE 23 -13.658 -1.169 -6.699
171 HG13 ILE 23 1HG1 ILE 23 -12.475 -2.128 -5.815
172 HG21 ILE 23 1HG2 ILE 23 -16.523 -1.810 -5.296
173 HG22 ILE 23 2HG2 ILE 23 -16.348 -3.347 -6.146
174 HG23 ILE 23 3HG2 ILE 23 -15.782 -1.856 -6.898
175 HD11 ILE 23 3HD1 ILE 23 -13.371 -2.617 -8.406
176 HD12 ILE 23 1HD1 ILE 23 -14.216 -3.811 -7.420
177 HD13 ILE 23 2HD1 ILE 23 -12.454 -3.728 -7.386
178 H GLU 24 HN GLU 24 -15.034 -0.723 -1.832
179 HA GLU 24 HA GLU 24 -17.179 -2.611 -1.218
180 HB2 GLU 24 2HB GLU 24 -14.719 -2.267 0.495
181 HB3 GLU 24 1HB GLU 24 -16.206 -3.017 1.069
182 HG2 GLU 24 2HG GLU 24 -16.055 -4.653 -0.808
183 HG3 GLU 24 1HG GLU 24 -14.503 -3.956 -1.248
184 H HIS 25 HN HIS 25 -17.404 0.069 -1.866
185 HA HIS 25 HA HIS 25 -18.840 1.080 0.373
186 HB2 HIS 25 2HB HIS 25 -17.180 3.231 0.277
187 HB3 HIS 25 1HB HIS 25 -17.029 1.941 1.461
188 HD2 HIS 25 2HD HIS 25 -14.641 0.504 1.279
189 HE1 HIS 25 1HE HIS 25 -13.362 2.033 -2.438
190 HE2 HIS 25 2HE HIS 25 -12.706 0.582 -0.464
191 HA PRO 26 HA PRO 26 -19.560 2.719 -4.024
192 HB2 PRO 26 2HB PRO 26 -22.055 1.583 -4.326
193 HB3 PRO 26 1HB PRO 26 -20.548 0.830 -4.880
194 HG2 PRO 26 2HG PRO 26 -22.140 0.299 -2.423
195 HG3 PRO 26 1HG PRO 26 -21.286 -0.834 -3.485
196 HD2 PRO 26 2HD PRO 26 -20.272 -0.042 -1.090
197 HD3 PRO 26 1HD PRO 26 -19.235 -0.449 -2.475
198 H GLY 27 HN GLY 27 -21.572 2.391 -1.148
199 HA2 GLY 27 2HA GLY 27 -23.477 4.389 -1.728
200 HA3 GLY 27 1HA GLY 27 -23.040 3.830 -0.117
201 H ASN 28 HN ASN 28 -20.340 4.527 -0.055
202 HA ASN 28 HA ASN 28 -20.508 7.293 0.597
203 HB2 ASN 28 2HB ASN 28 -18.196 5.362 0.428
204 HB3 ASN 28 1HB ASN 28 -18.001 7.044 0.916
205 HD21 ASN 28 1HD2 ASN 28 -17.451 4.871 2.718
206 HD22 ASN 28 2HD2 ASN 28 -18.599 4.923 3.968
207 H TYR 29 HN TYR 29 -19.162 5.486 -2.113
208 HA TYR 29 HA TYR 29 -18.560 8.055 -3.462
209 HB2 TYR 29 2HB TYR 29 -17.348 5.324 -3.951
210 HB3 TYR 29 1HB TYR 29 -16.927 6.811 -4.802
211 HD1 TYR 29 1HD TYR 29 -15.678 8.598 -3.693
212 HD2 TYR 29 2HD TYR 29 -16.705 4.980 -1.619
213 HE1 TYR 29 1HE TYR 29 -14.072 9.174 -1.892
214 HE2 TYR 29 2HE TYR 29 -15.102 5.555 0.182
215 HH TYR 29 HH TYR 29 -13.868 8.553 0.654
216 H ASP 30 HN ASP 30 -21.059 7.723 -3.757
217 HA ASP 30 HA ASP 30 -22.037 5.826 -5.592
218 HB2 ASP 30 2HB ASP 30 -22.989 8.594 -4.853
219 HB3 ASP 30 1HB ASP 30 -23.879 7.530 -5.940
220 H TYR 31 HN TYR 31 -20.655 9.053 -6.050
221 HA TYR 31 HA TYR 31 -20.093 10.218 -7.961
222 HB2 TYR 31 2HB TYR 31 -18.266 8.671 -7.988
223 HB3 TYR 31 1HB TYR 31 -19.283 7.388 -8.645
224 HD1 TYR 31 1HD TYR 31 -17.898 10.771 -9.404
225 HD2 TYR 31 2HD TYR 31 -19.577 7.144 -10.979
226 HE1 TYR 31 1HE TYR 31 -17.362 11.523 -11.705
227 HE2 TYR 31 2HE TYR 31 -19.042 7.896 -13.281
228 HH TYR 31 HH TYR 31 -17.106 9.679 -14.227
Start of MODEL 9
1 H1 PCA 1 HN PCA 1 8.520 -1.627 3.931
2 HA PCA 1 HA PCA 1 6.946 -3.191 2.559
3 HB2 PCA 1 2HB PCA 1 5.262 -3.921 4.798
4 HB3 PCA 1 1HB PCA 1 6.294 -4.991 3.798
5 HG2 PCA 1 1HG PCA 1 7.816 -5.134 5.481
6 HG3 PCA 1 2HG PCA 1 6.776 -4.090 6.501
7 H TRP 2 HN TRP 2 7.053 -0.434 3.305
8 HA TRP 2 HA TRP 2 4.514 0.384 4.270
9 HB2 TRP 2 2HB TRP 2 6.519 1.853 4.192
10 HB3 TRP 2 1HB TRP 2 6.393 1.887 2.432
11 HD1 TRP 2 HD TRP 2 4.691 3.147 5.594
12 HE1 TRP 2 1HE TRP 2 2.984 4.971 4.957
13 HE3 TRP 2 3HE TRP 2 4.831 2.747 0.506
14 HZ2 TRP 2 2HZ TRP 2 1.831 6.110 2.600
15 HZ3 TRP 2 3HZ TRP 2 3.420 4.211 -0.910
16 HH2 TRP 2 HH TRP 2 1.921 5.891 0.130
17 H CYS 3 HN CYS 3 2.592 0.624 3.275
18 HA CYS 3 HA CYS 3 2.484 0.161 0.353
19 HB2 CYS 3 2HB CYS 3 0.490 -0.668 2.473
20 HB3 CYS 3 1HB CYS 3 0.265 -0.866 0.734
21 H GLN 4 HN GLN 4 0.826 1.247 -0.835
22 HA GLN 4 HA GLN 4 0.211 3.849 0.273
23 HB2 GLN 4 2HB GLN 4 -0.844 3.497 -2.358
24 HB3 GLN 4 1HB GLN 4 0.487 4.532 -1.844
25 HG2 GLN 4 2HG GLN 4 2.010 2.560 -1.968
26 HG3 GLN 4 1HG GLN 4 0.668 1.594 -2.579
27 HE21 GLN 4 1HE2 GLN 4 2.509 1.520 -4.411
28 HE22 GLN 4 2HE2 GLN 4 2.320 2.674 -5.641
29 HA PRO 5 HA PRO 5 -4.107 3.362 1.070
30 HB2 PRO 5 2HB PRO 5 -4.858 5.306 -1.042
31 HB3 PRO 5 1HB PRO 5 -5.160 5.364 0.703
32 HG2 PRO 5 2HG PRO 5 -3.357 6.926 -0.506
33 HG3 PRO 5 1HG PRO 5 -3.162 6.354 1.156
34 HD2 PRO 5 2HD PRO 5 -1.758 5.474 -1.324
35 HD3 PRO 5 1HD PRO 5 -1.201 5.504 0.361
36 H GLY 6 HN GLY 6 -5.692 1.997 0.416
37 HA2 GLY 6 2HA GLY 6 -7.107 0.811 -1.007
38 HA3 GLY 6 1HA GLY 6 -6.352 1.618 -2.377
39 H TYR 7 HN TYR 7 -3.868 0.501 -0.539
40 HA TYR 7 HA TYR 7 -3.778 -2.109 -1.926
41 HB2 TYR 7 2HB TYR 7 -1.652 -0.030 -1.614
42 HB3 TYR 7 1HB TYR 7 -1.225 -1.703 -1.867
43 HD1 TYR 7 2HD TYR 7 -3.465 0.960 -3.273
44 HD2 TYR 7 1HD TYR 7 -1.069 -2.518 -4.034
45 HE1 TYR 7 2HE TYR 7 -3.908 1.188 -5.702
46 HE2 TYR 7 1HE TYR 7 -1.524 -2.302 -6.466
47 HH TYR 7 HH TYR 7 -2.684 0.457 -7.869
48 H ALA 8 HN ALA 8 -2.245 -3.636 -0.899
49 HA ALA 8 HA ALA 8 -1.784 -3.204 1.957
50 HB1 ALA 8 1HB ALA 8 -3.166 -4.836 2.733
51 HB2 ALA 8 2HB ALA 8 -2.943 -5.850 1.308
52 HB3 ALA 8 3HB ALA 8 -4.065 -4.490 1.256
53 H TYR 9 HN TYR 9 0.043 -4.175 2.675
54 HA TYR 9 HA TYR 9 2.010 -4.987 0.966
55 HB2 TYR 9 2HB TYR 9 2.525 -4.404 3.255
56 HB3 TYR 9 1HB TYR 9 1.625 -5.803 3.837
57 HD1 TYR 9 2HD TYR 9 4.055 -5.502 0.970
58 HD2 TYR 9 1HD TYR 9 3.194 -7.251 4.802
59 HE1 TYR 9 2HE TYR 9 6.073 -6.905 0.779
60 HE2 TYR 9 1HE TYR 9 5.226 -8.666 4.604
61 HH TYR 9 HH TYR 9 7.321 -8.472 1.722
62 H ASN 10 HN ASN 10 2.664 -6.850 0.022
63 HA ASN 10 HA ASN 10 0.953 -9.220 0.442
64 HB2 ASN 10 2HB ASN 10 1.025 -7.822 -1.832
65 HB3 ASN 10 1HB ASN 10 2.394 -8.874 -2.115
66 HD21 ASN 10 1HD2 ASN 10 1.993 -11.152 -2.393
67 HD22 ASN 10 2HD2 ASN 10 0.428 -11.788 -2.522
68 HA PRO 11 HA PRO 11 5.249 -10.436 1.689
69 HB2 PRO 11 2HB PRO 11 3.900 -12.480 3.280
70 HB3 PRO 11 1HB PRO 11 4.945 -11.161 3.816
71 HG2 PRO 11 2HG PRO 11 2.254 -11.290 4.265
72 HG3 PRO 11 1HG PRO 11 3.199 -9.798 4.248
73 HD2 PRO 11 2HD PRO 11 1.340 -10.868 2.192
74 HD3 PRO 11 1HD PRO 11 1.777 -9.191 2.560
75 H VAL 12 HN VAL 12 2.847 -11.798 -0.157
76 HA VAL 12 HA VAL 12 4.248 -14.374 -0.487
77 HB VAL 12 HB VAL 12 1.567 -13.562 -1.636
78 HG11 VAL 12 1HG1 VAL 12 3.287 -15.794 -2.037
79 HG12 VAL 12 2HG1 VAL 12 1.646 -15.578 -2.638
80 HG13 VAL 12 3HG1 VAL 12 1.919 -16.362 -1.083
81 HG21 VAL 12 3HG2 VAL 12 0.602 -14.868 0.249
82 HG22 VAL 12 1HG2 VAL 12 1.473 -13.443 0.817
83 HG23 VAL 12 2HG2 VAL 12 2.218 -15.038 0.937
84 H LEU 13 HN LEU 13 3.699 -11.336 -1.941
85 HA LEU 13 HA LEU 13 4.754 -12.321 -4.507
86 HB2 LEU 13 2HB LEU 13 2.932 -11.210 -5.282
87 HB3 LEU 13 1HB LEU 13 2.743 -10.282 -3.809
88 HG LEU 13 HG LEU 13 4.574 -8.783 -4.490
89 HD11 LEU 13 1HD1 LEU 13 5.184 -10.904 -6.267
90 HD12 LEU 13 2HD1 LEU 13 6.000 -9.349 -6.179
91 HD13 LEU 13 3HD1 LEU 13 4.651 -9.574 -7.291
92 HD21 LEU 13 3HD2 LEU 13 3.423 -7.752 -6.452
93 HD22 LEU 13 1HD2 LEU 13 2.348 -8.116 -5.108
94 HD23 LEU 13 2HD2 LEU 13 2.365 -9.163 -6.525
95 H GLY 14 HN GLY 14 5.081 -9.822 -2.021
96 HA2 GLY 14 2HA GLY 14 7.427 -9.396 -1.325
97 HA3 GLY 14 1HA GLY 14 7.811 -9.274 -3.034
98 H ILE 15 HN ILE 15 4.849 -7.873 -2.795
99 HA ILE 15 HA ILE 15 5.734 -5.274 -1.807
100 HB ILE 15 HB ILE 15 5.009 -4.129 -3.899
101 HG12 ILE 15 2HG1 ILE 15 5.279 -6.707 -5.400
102 HG13 ILE 15 1HG1 ILE 15 3.755 -6.416 -4.576
103 HG21 ILE 15 1HG2 ILE 15 7.190 -6.166 -4.420
104 HG22 ILE 15 2HG2 ILE 15 7.411 -4.760 -3.379
105 HG23 ILE 15 3HG2 ILE 15 7.058 -4.540 -5.093
106 HD11 ILE 15 3HD1 ILE 15 3.225 -4.584 -5.881
107 HD12 ILE 15 1HD1 ILE 15 4.119 -5.560 -7.048
108 HD13 ILE 15 2HD1 ILE 15 4.915 -4.214 -6.234
109 H CYS 16 HN CYS 16 3.699 -3.680 -2.602
110 HA CYS 16 HA CYS 16 1.441 -4.857 -1.194
111 HB2 CYS 16 2HB CYS 16 1.700 -2.037 -2.218
112 HB3 CYS 16 1HB CYS 16 0.651 -2.639 -0.936
113 H THR 17 HN THR 17 -0.554 -5.125 -2.016
114 HA THR 17 HA THR 17 -0.909 -4.638 -4.912
115 HB THR 17 HB THR 17 -2.088 -6.778 -5.109
116 HG1 THR 17 1HG THR 17 -2.809 -7.488 -3.271
117 HG21 THR 17 3HG2 THR 17 -0.084 -8.263 -4.691
118 HG22 THR 17 1HG2 THR 17 0.699 -6.871 -3.945
119 HG23 THR 17 2HG2 THR 17 0.247 -6.820 -5.649
120 H ILE 18 HN ILE 18 -3.075 -4.298 -5.591
121 HA ILE 18 HA ILE 18 -4.608 -2.706 -3.930
122 HB ILE 18 HB ILE 18 -4.679 -2.999 -6.501
123 HG12 ILE 18 2HG1 ILE 18 -7.416 -2.882 -5.270
124 HG13 ILE 18 1HG1 ILE 18 -6.249 -1.620 -4.899
125 HG21 ILE 18 1HG2 ILE 18 -6.900 -4.906 -5.802
126 HG22 ILE 18 2HG2 ILE 18 -5.267 -5.483 -6.147
127 HG23 ILE 18 3HG2 ILE 18 -6.168 -4.598 -7.378
128 HD11 ILE 18 3HD1 ILE 18 -7.143 -2.434 -7.666
129 HD12 ILE 18 1HD1 ILE 18 -5.923 -1.214 -7.307
130 HD13 ILE 18 2HD1 ILE 18 -7.590 -0.963 -6.814
131 H THR 19 HN THR 19 -6.170 -3.059 -2.458
132 HA THR 19 HA THR 19 -6.628 -5.820 -1.634
133 HB THR 19 HB THR 19 -6.207 -4.565 0.255
134 HG1 THR 19 1HG THR 19 -8.844 -3.830 0.381
135 HG21 THR 19 3HG2 THR 19 -7.401 -2.243 0.490
136 HG22 THR 19 1HG2 THR 19 -7.569 -2.362 -1.261
137 HG23 THR 19 2HG2 THR 19 -5.966 -2.382 -0.523
138 H LEU 20 HN LEU 20 -8.899 -6.389 -0.898
139 HA LEU 20 HA LEU 20 -10.662 -6.174 -3.103
140 HB2 LEU 20 2HB LEU 20 -10.853 -7.333 -0.337
141 HB3 LEU 20 1HB LEU 20 -12.280 -7.224 -1.351
142 HG LEU 20 HG LEU 20 -11.042 -9.423 -1.550
143 HD11 LEU 20 1HD1 LEU 20 -12.224 -7.864 -3.544
144 HD12 LEU 20 2HD1 LEU 20 -11.862 -9.582 -3.654
145 HD13 LEU 20 3HD1 LEU 20 -10.709 -8.396 -4.263
146 HD21 LEU 20 3HD2 LEU 20 -8.895 -9.502 -2.567
147 HD22 LEU 20 1HD2 LEU 20 -8.778 -8.205 -1.380
148 HD23 LEU 20 2HD2 LEU 20 -8.992 -7.820 -3.087
149 H SER 21 HN SER 21 -10.005 -4.083 -0.542
150 HA SER 21 HA SER 21 -12.548 -3.008 0.025
151 HB2 SER 21 2HB SER 21 -11.320 -1.051 0.850
152 HB3 SER 21 1HB SER 21 -10.542 -2.539 1.382
153 HG SER 21 HG SER 21 -9.785 -1.317 -1.038
154 H ARG 22 HN ARG 22 -10.404 -2.642 -2.673
155 HA ARG 22 HA ARG 22 -11.315 -0.196 -3.699
156 HB2 ARG 22 2HB ARG 22 -9.289 -1.379 -4.532
157 HB3 ARG 22 1HB ARG 22 -10.320 -2.611 -5.250
158 HG2 ARG 22 2HG ARG 22 -9.896 -1.151 -7.069
159 HG3 ARG 22 1HG ARG 22 -11.456 -0.600 -6.488
160 HD2 ARG 22 2HD ARG 22 -10.404 1.200 -5.216
161 HD3 ARG 22 1HD ARG 22 -8.810 0.616 -5.663
162 HE ARG 22 HE ARG 22 -9.096 1.599 -7.758
163 HH11 ARG 22 1HH2 ARG 22 -12.071 1.464 -5.995
164 HH12 ARG 22 2HH2 ARG 22 -12.934 2.475 -7.106
165 HH21 ARG 22 1HH1 ARG 22 -10.221 2.923 -9.219
166 HH22 ARG 22 2HH1 ARG 22 -11.887 3.301 -8.931
167 H ILE 23 HN ILE 23 -12.538 -3.492 -4.055
168 HA ILE 23 HA ILE 23 -14.329 -3.316 -6.079
169 HB ILE 23 HB ILE 23 -14.907 -4.534 -3.380
170 HG12 ILE 23 2HG1 ILE 23 -12.779 -5.338 -4.343
171 HG13 ILE 23 1HG1 ILE 23 -14.000 -6.605 -4.402
172 HG21 ILE 23 1HG2 ILE 23 -16.059 -6.075 -5.392
173 HG22 ILE 23 2HG2 ILE 23 -16.394 -4.417 -5.886
174 HG23 ILE 23 3HG2 ILE 23 -16.923 -4.988 -4.302
175 HD11 ILE 23 3HD1 ILE 23 -14.450 -5.572 -6.823
176 HD12 ILE 23 1HD1 ILE 23 -13.158 -6.739 -6.568
177 HD13 ILE 23 2HD1 ILE 23 -12.795 -5.016 -6.643
178 H GLU 24 HN GLU 24 -15.841 -3.090 -2.952
179 HA GLU 24 HA GLU 24 -17.024 -0.499 -3.639
180 HB2 GLU 24 2HB GLU 24 -18.614 -3.006 -3.063
181 HB3 GLU 24 1HB GLU 24 -19.299 -1.381 -3.056
182 HG2 GLU 24 2HG GLU 24 -18.558 -1.076 -5.402
183 HG3 GLU 24 1HG GLU 24 -17.929 -2.721 -5.405
184 H HIS 25 HN HIS 25 -15.223 -0.414 -1.788
185 HA HIS 25 HA HIS 25 -16.730 -0.434 0.769
186 HB2 HIS 25 2HB HIS 25 -13.801 -1.106 0.486
187 HB3 HIS 25 1HB HIS 25 -14.779 -1.177 1.948
188 HD2 HIS 25 2HD HIS 25 -14.514 -3.142 -1.484
189 HE1 HIS 25 1HE HIS 25 -16.636 -5.519 1.283
190 HE2 HIS 25 2HE HIS 25 -15.622 -5.465 -1.042
191 HA PRO 26 HA PRO 26 -14.814 3.732 -0.425
192 HB2 PRO 26 2HB PRO 26 -17.126 5.154 0.120
193 HB3 PRO 26 1HB PRO 26 -16.671 4.552 -1.485
194 HG2 PRO 26 2HG PRO 26 -18.554 3.395 0.509
195 HG3 PRO 26 1HG PRO 26 -18.695 3.492 -1.256
196 HD2 PRO 26 2HD PRO 26 -18.006 1.202 -0.034
197 HD3 PRO 26 1HD PRO 26 -17.316 1.647 -1.607
198 H GLY 27 HN GLY 27 -16.504 2.366 2.255
199 HA2 GLY 27 2HA GLY 27 -16.301 4.439 4.153
200 HA3 GLY 27 1HA GLY 27 -16.381 2.718 4.526
201 H ASN 28 HN ASN 28 -14.038 1.895 3.178
202 HA ASN 28 HA ASN 28 -12.083 2.390 5.160
203 HB2 ASN 28 2HB ASN 28 -11.929 1.149 2.415
204 HB3 ASN 28 1HB ASN 28 -10.535 1.260 3.489
205 HD21 ASN 28 1HD2 ASN 28 -11.697 -1.268 2.675
206 HD22 ASN 28 2HD2 ASN 28 -12.335 -2.007 4.063
207 H TYR 29 HN TYR 29 -12.608 3.718 1.937
208 HA TYR 29 HA TYR 29 -10.195 5.298 1.977
209 HB2 TYR 29 2HB TYR 29 -12.611 5.369 0.151
210 HB3 TYR 29 1HB TYR 29 -11.134 6.301 -0.098
211 HD1 TYR 29 1HD TYR 29 -12.618 2.929 -0.088
212 HD2 TYR 29 2HD TYR 29 -9.049 5.223 -0.752
213 HE1 TYR 29 1HE TYR 29 -11.563 0.970 -1.185
214 HE2 TYR 29 2HE TYR 29 -7.994 3.266 -1.848
215 HH TYR 29 HH TYR 29 -9.541 0.109 -1.853
216 H ASP 30 HN ASP 30 -13.251 5.580 3.363
217 HA ASP 30 HA ASP 30 -14.344 7.277 4.462
218 HB2 ASP 30 2HB ASP 30 -12.048 7.425 5.521
219 HB3 ASP 30 1HB ASP 30 -11.692 8.721 4.381
220 H TYR 31 HN TYR 31 -14.659 7.270 1.710
221 HA TYR 31 HA TYR 31 -15.135 10.118 1.228
222 HB2 TYR 31 2HB TYR 31 -12.968 9.719 0.167
223 HB3 TYR 31 1HB TYR 31 -13.633 8.341 -0.709
224 HD1 TYR 31 2HD TYR 31 -14.041 12.020 -0.209
225 HD2 TYR 31 1HD TYR 31 -14.756 8.643 -2.766
226 HE1 TYR 31 2HE TYR 31 -14.843 13.542 -1.995
227 HE2 TYR 31 1HE TYR 31 -15.558 10.165 -4.552
228 HH TYR 31 HH TYR 31 -16.657 12.749 -4.407
Start of MODEL 10
1 H1 PCA 1 HN PCA 1 7.318 -2.384 5.931
2 HA PCA 1 HA PCA 1 7.435 -2.460 3.323
3 HB2 PCA 1 2HB PCA 1 5.001 -3.933 2.925
4 HB3 PCA 1 1HB PCA 1 6.671 -4.477 2.573
5 HG2 PCA 1 1HG PCA 1 6.539 -5.915 4.333
6 HG3 PCA 1 2HG PCA 1 4.932 -5.263 4.787
7 H TRP 2 HN TRP 2 6.938 -0.354 3.393
8 HA TRP 2 HA TRP 2 4.402 0.584 4.280
9 HB2 TRP 2 2HB TRP 2 6.420 2.010 4.183
10 HB3 TRP 2 1HB TRP 2 6.382 1.918 2.422
11 HD1 TRP 2 HD TRP 2 4.556 3.444 5.394
12 HE1 TRP 2 1HE TRP 2 2.928 5.251 4.537
13 HE3 TRP 2 3HE TRP 2 4.941 2.660 0.365
14 HZ2 TRP 2 2HZ TRP 2 1.923 6.234 2.046
15 HZ3 TRP 2 3HZ TRP 2 3.640 4.046 -1.229
16 HH2 TRP 2 HH TRP 2 2.132 5.829 -0.395
17 H CYS 3 HN CYS 3 2.502 0.704 3.255
18 HA CYS 3 HA CYS 3 2.449 0.173 0.343
19 HB2 CYS 3 2HB CYS 3 0.449 -0.651 2.457
20 HB3 CYS 3 1HB CYS 3 0.236 -0.879 0.722
21 H GLN 4 HN GLN 4 0.956 1.294 -0.904
22 HA GLN 4 HA GLN 4 0.275 3.887 0.130
23 HB2 GLN 4 2HB GLN 4 -0.835 3.422 -2.466
24 HB3 GLN 4 1HB GLN 4 0.502 4.482 -2.021
25 HG2 GLN 4 2HG GLN 4 2.028 2.502 -2.086
26 HG3 GLN 4 1HG GLN 4 0.675 1.520 -2.649
27 HE21 GLN 4 1HE2 GLN 4 3.333 3.067 -3.816
28 HE22 GLN 4 2HE2 GLN 4 2.778 3.469 -5.369
29 HA PRO 5 HA PRO 5 -4.028 3.422 1.033
30 HB2 PRO 5 2HB PRO 5 -4.834 5.303 -1.111
31 HB3 PRO 5 1HB PRO 5 -5.081 5.415 0.640
32 HG2 PRO 5 2HG PRO 5 -3.316 6.935 -0.675
33 HG3 PRO 5 1HG PRO 5 -3.069 6.416 0.997
34 HD2 PRO 5 2HD PRO 5 -1.742 5.449 -1.494
35 HD3 PRO 5 1HD PRO 5 -1.131 5.542 0.169
36 H GLY 6 HN GLY 6 -5.628 2.038 0.451
37 HA2 GLY 6 2HA GLY 6 -7.077 0.820 -0.906
38 HA3 GLY 6 1HA GLY 6 -6.366 1.605 -2.311
39 H TYR 7 HN TYR 7 -3.834 0.518 -0.522
40 HA TYR 7 HA TYR 7 -3.773 -2.102 -1.890
41 HB2 TYR 7 2HB TYR 7 -1.645 -0.016 -1.615
42 HB3 TYR 7 1HB TYR 7 -1.211 -1.694 -1.842
43 HD1 TYR 7 2HD TYR 7 -3.522 0.896 -3.284
44 HD2 TYR 7 1HD TYR 7 -1.016 -2.513 -4.000
45 HE1 TYR 7 2HE TYR 7 -3.969 1.079 -5.716
46 HE2 TYR 7 1HE TYR 7 -1.468 -2.339 -6.434
47 HH TYR 7 HH TYR 7 -3.812 -0.023 -7.701
48 H ALA 8 HN ALA 8 -2.208 -3.617 -0.872
49 HA ALA 8 HA ALA 8 -1.761 -3.186 1.981
50 HB1 ALA 8 1HB ALA 8 -3.101 -4.873 2.752
51 HB2 ALA 8 2HB ALA 8 -2.952 -5.817 1.270
52 HB3 ALA 8 3HB ALA 8 -4.046 -4.434 1.330
53 H TYR 9 HN TYR 9 0.042 -4.193 2.714
54 HA TYR 9 HA TYR 9 2.022 -4.993 1.005
55 HB2 TYR 9 2HB TYR 9 2.531 -4.432 3.300
56 HB3 TYR 9 1HB TYR 9 1.602 -5.816 3.872
57 HD1 TYR 9 2HD TYR 9 4.066 -5.539 1.033
58 HD2 TYR 9 1HD TYR 9 3.123 -7.302 4.839
59 HE1 TYR 9 2HE TYR 9 6.064 -6.979 0.859
60 HE2 TYR 9 1HE TYR 9 5.131 -8.750 4.660
61 HH TYR 9 HH TYR 9 7.477 -8.321 2.074
62 H ASN 10 HN ASN 10 2.642 -6.848 0.031
63 HA ASN 10 HA ASN 10 0.914 -9.214 0.430
64 HB2 ASN 10 2HB ASN 10 1.012 -7.791 -1.826
65 HB3 ASN 10 1HB ASN 10 2.371 -8.857 -2.114
66 HD21 ASN 10 1HD2 ASN 10 1.939 -11.125 -2.425
67 HD22 ASN 10 2HD2 ASN 10 0.366 -11.738 -2.566
68 HA PRO 11 HA PRO 11 5.189 -10.497 1.668
69 HB2 PRO 11 2HB PRO 11 3.832 -12.547 3.237
70 HB3 PRO 11 1HB PRO 11 4.876 -11.235 3.796
71 HG2 PRO 11 2HG PRO 11 2.174 -11.376 4.213
72 HG3 PRO 11 1HG PRO 11 3.127 -9.890 4.251
73 HD2 PRO 11 2HD PRO 11 1.272 -10.879 2.153
74 HD3 PRO 11 1HD PRO 11 1.741 -9.219 2.558
75 H VAL 12 HN VAL 12 2.786 -11.805 -0.214
76 HA VAL 12 HA VAL 12 4.159 -14.396 -0.569
77 HB VAL 12 HB VAL 12 1.490 -13.559 -1.720
78 HG11 VAL 12 1HG1 VAL 12 3.174 -15.780 -2.155
79 HG12 VAL 12 2HG1 VAL 12 1.498 -15.605 -2.666
80 HG13 VAL 12 3HG1 VAL 12 1.874 -16.364 -1.120
81 HG21 VAL 12 3HG2 VAL 12 1.256 -13.416 0.673
82 HG22 VAL 12 1HG2 VAL 12 2.170 -14.907 0.908
83 HG23 VAL 12 2HG2 VAL 12 0.563 -14.961 0.182
84 H LEU 13 HN LEU 13 3.656 -11.333 -1.980
85 HA LEU 13 HA LEU 13 4.697 -12.297 -4.564
86 HB2 LEU 13 2HB LEU 13 2.878 -11.171 -5.320
87 HB3 LEU 13 1HB LEU 13 2.714 -10.245 -3.844
88 HG LEU 13 HG LEU 13 4.553 -8.765 -4.540
89 HD11 LEU 13 1HD1 LEU 13 5.128 -10.894 -6.329
90 HD12 LEU 13 2HD1 LEU 13 5.974 -9.357 -6.228
91 HD13 LEU 13 3HD1 LEU 13 4.618 -9.550 -7.339
92 HD21 LEU 13 3HD2 LEU 13 2.314 -8.106 -5.155
93 HD22 LEU 13 1HD2 LEU 13 2.352 -9.123 -6.591
94 HD23 LEU 13 2HD2 LEU 13 3.405 -7.711 -6.479
95 H GLY 14 HN GLY 14 5.051 -9.843 -2.038
96 HA2 GLY 14 2HA GLY 14 7.396 -9.429 -1.335
97 HA3 GLY 14 1HA GLY 14 7.786 -9.296 -3.043
98 H ILE 15 HN ILE 15 4.841 -7.871 -2.814
99 HA ILE 15 HA ILE 15 5.755 -5.281 -1.813
100 HB ILE 15 HB ILE 15 5.032 -4.122 -3.895
101 HG12 ILE 15 2HG1 ILE 15 5.260 -6.694 -5.406
102 HG13 ILE 15 1HG1 ILE 15 3.745 -6.388 -4.571
103 HG21 ILE 15 1HG2 ILE 15 7.436 -4.850 -3.374
104 HG22 ILE 15 2HG2 ILE 15 7.076 -4.499 -5.063
105 HG23 ILE 15 3HG2 ILE 15 7.169 -6.172 -4.510
106 HD11 ILE 15 3HD1 ILE 15 4.108 -5.527 -7.042
107 HD12 ILE 15 1HD1 ILE 15 4.921 -4.191 -6.225
108 HD13 ILE 15 2HD1 ILE 15 3.229 -4.547 -5.867
109 H CYS 16 HN CYS 16 3.728 -3.667 -2.589
110 HA CYS 16 HA CYS 16 1.475 -4.824 -1.160
111 HB2 CYS 16 2HB CYS 16 1.768 -2.011 -2.206
112 HB3 CYS 16 1HB CYS 16 0.685 -2.590 -0.942
113 H THR 17 HN THR 17 -0.511 -5.113 -1.975
114 HA THR 17 HA THR 17 -0.887 -4.640 -4.875
115 HB THR 17 HB THR 17 -2.065 -6.780 -5.048
116 HG1 THR 17 1HG THR 17 -2.812 -7.217 -3.072
117 HG21 THR 17 3HG2 THR 17 0.734 -6.814 -3.926
118 HG22 THR 17 1HG2 THR 17 0.242 -6.873 -5.617
119 HG23 THR 17 2HG2 THR 17 -0.043 -8.261 -4.567
120 H ILE 18 HN ILE 18 -3.089 -4.372 -5.547
121 HA ILE 18 HA ILE 18 -4.605 -2.740 -3.904
122 HB ILE 18 HB ILE 18 -4.719 -3.001 -6.441
123 HG12 ILE 18 2HG1 ILE 18 -7.458 -3.165 -5.241
124 HG13 ILE 18 1HG1 ILE 18 -6.410 -1.821 -4.796
125 HG21 ILE 18 1HG2 ILE 18 -6.829 -5.057 -5.874
126 HG22 ILE 18 2HG2 ILE 18 -5.146 -5.566 -6.044
127 HG23 ILE 18 3HG2 ILE 18 -5.957 -4.742 -7.375
128 HD11 ILE 18 3HD1 ILE 18 -6.786 -2.545 -7.682
129 HD12 ILE 18 1HD1 ILE 18 -6.299 -1.006 -6.974
130 HD13 ILE 18 2HD1 ILE 18 -7.975 -1.541 -6.851
131 H THR 19 HN THR 19 -6.093 -3.080 -2.377
132 HA THR 19 HA THR 19 -6.574 -5.815 -1.509
133 HB THR 19 HB THR 19 -6.184 -4.495 0.344
134 HG1 THR 19 1HG THR 19 -7.976 -5.073 1.227
135 HG21 THR 19 3HG2 THR 19 -7.497 -2.196 0.473
136 HG22 THR 19 1HG2 THR 19 -7.500 -2.366 -1.282
137 HG23 THR 19 2HG2 THR 19 -5.972 -2.324 -0.400
138 H LEU 20 HN LEU 20 -8.757 -6.542 -0.967
139 HA LEU 20 HA LEU 20 -10.528 -6.421 -3.118
140 HB2 LEU 20 2HB LEU 20 -10.551 -8.240 -1.479
141 HB3 LEU 20 1HB LEU 20 -11.111 -7.125 -0.232
142 HG LEU 20 HG LEU 20 -12.732 -7.061 -2.684
143 HD11 LEU 20 1HD1 LEU 20 -13.883 -9.229 -1.989
144 HD12 LEU 20 2HD1 LEU 20 -12.433 -9.576 -1.045
145 HD13 LEU 20 3HD1 LEU 20 -12.325 -9.402 -2.796
146 HD21 LEU 20 3HD2 LEU 20 -13.589 -7.678 0.148
147 HD22 LEU 20 1HD2 LEU 20 -14.512 -6.879 -1.124
148 HD23 LEU 20 2HD2 LEU 20 -13.172 -6.039 -0.345
149 H SER 21 HN SER 21 -10.233 -4.420 -0.298
150 HA SER 21 HA SER 21 -12.752 -3.221 -0.211
151 HB2 SER 21 2HB SER 21 -11.672 -1.373 0.939
152 HB3 SER 21 1HB SER 21 -10.950 -2.887 1.476
153 HG SER 21 HG SER 21 -9.513 -2.296 -0.528
154 H ARG 22 HN ARG 22 -10.190 -2.864 -2.525
155 HA ARG 22 HA ARG 22 -11.581 -0.561 -3.755
156 HB2 ARG 22 2HB ARG 22 -9.057 -0.477 -3.099
157 HB3 ARG 22 1HB ARG 22 -8.830 -1.461 -4.544
158 HG2 ARG 22 2HG ARG 22 -9.985 0.238 -5.902
159 HG3 ARG 22 1HG ARG 22 -10.247 1.220 -4.462
160 HD2 ARG 22 2HD ARG 22 -7.785 1.347 -4.142
161 HD3 ARG 22 1HD ARG 22 -7.564 0.447 -5.637
162 HE ARG 22 HE ARG 22 -8.365 3.233 -5.389
163 HH11 ARG 22 1HH2 ARG 22 -8.177 0.383 -7.344
164 HH12 ARG 22 2HH2 ARG 22 -8.261 1.241 -8.847
165 HH21 ARG 22 1HH1 ARG 22 -8.474 4.365 -7.355
166 HH22 ARG 22 2HH1 ARG 22 -8.429 3.495 -8.854
167 H ILE 23 HN ILE 23 -12.389 -3.379 -3.962
168 HA ILE 23 HA ILE 23 -12.223 -3.638 -6.888
169 HB ILE 23 HB ILE 23 -12.143 -5.942 -4.939
170 HG12 ILE 23 2HG1 ILE 23 -9.958 -4.767 -6.681
171 HG13 ILE 23 1HG1 ILE 23 -10.064 -4.578 -4.938
172 HG21 ILE 23 1HG2 ILE 23 -13.211 -6.427 -7.130
173 HG22 ILE 23 2HG2 ILE 23 -11.677 -7.272 -6.957
174 HG23 ILE 23 3HG2 ILE 23 -11.775 -5.819 -7.950
175 HD11 ILE 23 3HD1 ILE 23 -8.856 -6.484 -4.779
176 HD12 ILE 23 1HD1 ILE 23 -9.093 -6.855 -6.488
177 HD13 ILE 23 2HD1 ILE 23 -10.313 -7.326 -5.305
178 H GLU 24 HN GLU 24 -14.023 -4.136 -3.964
179 HA GLU 24 HA GLU 24 -16.457 -4.722 -5.552
180 HB2 GLU 24 2HB GLU 24 -15.654 -5.462 -2.765
181 HB3 GLU 24 1HB GLU 24 -17.294 -5.663 -3.382
182 HG2 GLU 24 2HG GLU 24 -16.452 -7.084 -5.207
183 HG3 GLU 24 1HG GLU 24 -14.804 -6.879 -4.615
184 H HIS 25 HN HIS 25 -17.684 -2.958 -5.766
185 HA HIS 25 HA HIS 25 -18.733 -1.591 -3.478
186 HB2 HIS 25 2HB HIS 25 -17.493 0.515 -5.060
187 HB3 HIS 25 1HB HIS 25 -17.390 0.219 -3.327
188 HD2 HIS 25 2HD HIS 25 -15.006 -1.012 -2.509
189 HE1 HIS 25 1HE HIS 25 -13.430 -1.689 -6.354
190 HE2 HIS 25 2HE HIS 25 -12.915 -1.769 -3.874
191 HA PRO 26 HA PRO 26 -20.934 -1.485 -7.671
192 HB2 PRO 26 2HB PRO 26 -23.020 -3.126 -6.934
193 HB3 PRO 26 1HB PRO 26 -21.551 -3.691 -7.752
194 HG2 PRO 26 2HG PRO 26 -22.274 -3.796 -4.865
195 HG3 PRO 26 1HG PRO 26 -21.441 -4.998 -5.867
196 HD2 PRO 26 2HD PRO 26 -20.103 -3.372 -4.145
197 HD3 PRO 26 1HD PRO 26 -19.383 -3.938 -5.667
198 H GLY 27 HN GLY 27 -21.924 -1.280 -4.316
199 HA2 GLY 27 2HA GLY 27 -24.418 0.004 -4.681
200 HA3 GLY 27 1HA GLY 27 -23.451 0.042 -3.211
201 H ASN 28 HN ASN 28 -21.258 1.081 -5.221
202 HA ASN 28 HA ASN 28 -21.365 3.771 -4.467
203 HB2 ASN 28 2HB ASN 28 -19.323 2.557 -5.246
204 HB3 ASN 28 1HB ASN 28 -19.959 2.633 -6.888
205 HD21 ASN 28 1HD2 ASN 28 -18.298 4.074 -7.681
206 HD22 ASN 28 2HD2 ASN 28 -18.187 5.687 -7.164
207 H TYR 29 HN TYR 29 -22.520 2.119 -7.362
208 HA TYR 29 HA TYR 29 -23.761 4.655 -8.239
209 HB2 TYR 29 2HB TYR 29 -23.811 3.526 -10.520
210 HB3 TYR 29 1HB TYR 29 -22.228 4.032 -9.927
211 HD1 TYR 29 2HD TYR 29 -20.597 2.402 -9.127
212 HD2 TYR 29 1HD TYR 29 -24.434 1.168 -10.613
213 HE1 TYR 29 2HE TYR 29 -19.793 0.065 -9.259
214 HE2 TYR 29 1HE TYR 29 -23.630 -1.168 -10.748
215 HH TYR 29 HH TYR 29 -21.789 -2.486 -10.694
216 H ASP 30 HN ASP 30 -24.964 2.987 -6.288
217 HA ASP 30 HA ASP 30 -26.820 1.148 -7.331
218 HB2 ASP 30 2HB ASP 30 -28.034 1.462 -5.220
219 HB3 ASP 30 1HB ASP 30 -26.303 1.332 -4.932
220 H TYR 31 HN TYR 31 -26.784 4.618 -7.317
221 HA TYR 31 HA TYR 31 -28.260 6.196 -8.101
222 HB2 TYR 31 2HB TYR 31 -27.973 5.144 -10.226
223 HB3 TYR 31 1HB TYR 31 -29.021 3.800 -9.776
224 HD1 TYR 31 1HD TYR 31 -28.991 7.490 -10.344
225 HD2 TYR 31 2HD TYR 31 -31.358 3.912 -10.122
226 HE1 TYR 31 1HE TYR 31 -30.960 8.740 -11.186
227 HE2 TYR 31 2HE TYR 31 -33.326 5.162 -10.965
228 HH TYR 31 HH TYR 31 -33.068 8.313 -12.299
Start of MODEL 11
1 H1 PCA 1 HN PCA 1 8.205 -1.681 4.297
2 HA PCA 1 HA PCA 1 6.687 -3.282 2.860
3 HB2 PCA 1 2HB PCA 1 4.869 -3.833 5.060
4 HB3 PCA 1 1HB PCA 1 5.851 -4.995 4.115
5 HG2 PCA 1 1HG PCA 1 7.304 -5.198 5.854
6 HG3 PCA 1 2HG PCA 1 6.333 -4.029 6.804
7 H TRP 2 HN TRP 2 6.877 -0.508 3.508
8 HA TRP 2 HA TRP 2 4.343 0.472 4.307
9 HB2 TRP 2 2HB TRP 2 6.383 1.859 4.266
10 HB3 TRP 2 1HB TRP 2 6.399 1.770 2.504
11 HD1 TRP 2 HD TRP 2 4.523 3.345 5.419
12 HE1 TRP 2 1HE TRP 2 2.960 5.183 4.510
13 HE3 TRP 2 3HE TRP 2 5.028 2.530 0.406
14 HZ2 TRP 2 2HZ TRP 2 2.044 6.176 1.987
15 HZ3 TRP 2 3HZ TRP 2 3.802 3.936 -1.229
16 HH2 TRP 2 HH TRP 2 2.311 5.755 -0.443
17 H CYS 3 HN CYS 3 2.472 0.675 3.246
18 HA CYS 3 HA CYS 3 2.454 0.199 0.323
19 HB2 CYS 3 2HB CYS 3 0.406 -0.694 2.367
20 HB3 CYS 3 1HB CYS 3 0.267 -0.900 0.621
21 H GLN 4 HN GLN 4 0.811 1.290 -0.870
22 HA GLN 4 HA GLN 4 0.161 3.868 0.268
23 HB2 GLN 4 2HB GLN 4 -0.886 3.532 -2.372
24 HB3 GLN 4 1HB GLN 4 0.430 4.576 -1.842
25 HG2 GLN 4 2HG GLN 4 1.980 2.623 -1.991
26 HG3 GLN 4 1HG GLN 4 0.646 1.649 -2.607
27 HE21 GLN 4 1HE2 GLN 4 3.278 3.364 -3.655
28 HE22 GLN 4 2HE2 GLN 4 2.737 3.785 -5.208
29 HA PRO 5 HA PRO 5 -4.161 3.331 1.052
30 HB2 PRO 5 2HB PRO 5 -4.913 5.246 -1.091
31 HB3 PRO 5 1HB PRO 5 -5.269 5.297 0.644
32 HG2 PRO 5 2HG PRO 5 -3.476 6.900 -0.500
33 HG3 PRO 5 1HG PRO 5 -3.296 6.314 1.157
34 HD2 PRO 5 2HD PRO 5 -1.819 5.501 -1.304
35 HD3 PRO 5 1HD PRO 5 -1.301 5.520 0.395
36 H GLY 6 HN GLY 6 -5.704 1.920 0.399
37 HA2 GLY 6 2HA GLY 6 -7.096 0.706 -1.023
38 HA3 GLY 6 1HA GLY 6 -6.350 1.516 -2.395
39 H TYR 7 HN TYR 7 -3.855 0.457 -0.548
40 HA TYR 7 HA TYR 7 -3.718 -2.166 -1.899
41 HB2 TYR 7 2HB TYR 7 -1.598 -0.066 -1.587
42 HB3 TYR 7 1HB TYR 7 -1.184 -1.742 -1.877
43 HD1 TYR 7 2HD TYR 7 -3.462 0.925 -3.227
44 HD2 TYR 7 1HD TYR 7 -1.003 -2.496 -4.059
45 HE1 TYR 7 2HE TYR 7 -3.923 1.185 -5.651
46 HE2 TYR 7 1HE TYR 7 -1.471 -2.242 -6.482
47 HH TYR 7 HH TYR 7 -3.622 -1.034 -7.824
48 H ALA 8 HN ALA 8 -2.209 -3.666 -0.864
49 HA ALA 8 HA ALA 8 -1.729 -3.204 1.982
50 HB1 ALA 8 1HB ALA 8 -3.682 -4.309 2.412
51 HB2 ALA 8 2HB ALA 8 -2.647 -5.718 2.178
52 HB3 ALA 8 3HB ALA 8 -3.677 -5.151 0.862
53 H TYR 9 HN TYR 9 0.105 -4.163 2.684
54 HA TYR 9 HA TYR 9 2.042 -4.994 0.945
55 HB2 TYR 9 2HB TYR 9 2.589 -4.380 3.231
56 HB3 TYR 9 1HB TYR 9 1.708 -5.782 3.834
57 HD1 TYR 9 2HD TYR 9 4.103 -5.484 0.933
58 HD2 TYR 9 1HD TYR 9 3.279 -7.207 4.786
59 HE1 TYR 9 2HE TYR 9 6.130 -6.881 0.740
60 HE2 TYR 9 1HE TYR 9 5.315 -8.614 4.585
61 HH TYR 9 HH TYR 9 7.445 -8.595 3.387
62 H ASN 10 HN ASN 10 2.666 -6.854 0.014
63 HA ASN 10 HA ASN 10 0.963 -9.226 0.470
64 HB2 ASN 10 2HB ASN 10 1.025 -7.828 -1.802
65 HB3 ASN 10 1HB ASN 10 2.392 -8.881 -2.096
66 HD21 ASN 10 1HD2 ASN 10 1.985 -11.170 -2.343
67 HD22 ASN 10 2HD2 ASN 10 0.416 -11.802 -2.468
68 HA PRO 11 HA PRO 11 5.276 -10.434 1.667
69 HB2 PRO 11 2HB PRO 11 3.965 -12.456 3.311
70 HB3 PRO 11 1HB PRO 11 5.019 -11.132 3.815
71 HG2 PRO 11 2HG PRO 11 2.334 -11.261 4.297
72 HG3 PRO 11 1HG PRO 11 3.281 -9.770 4.262
73 HD2 PRO 11 2HD PRO 11 1.379 -10.839 2.245
74 HD3 PRO 11 1HD PRO 11 1.839 -9.163 2.591
75 H VAL 12 HN VAL 12 2.847 -11.802 -0.136
76 HA VAL 12 HA VAL 12 4.233 -14.391 -0.453
77 HB VAL 12 HB VAL 12 1.537 -13.597 -1.570
78 HG11 VAL 12 1HG1 VAL 12 3.232 -15.822 -1.991
79 HG12 VAL 12 2HG1 VAL 12 1.554 -15.648 -2.498
80 HG13 VAL 12 3HG1 VAL 12 1.933 -16.388 -0.944
81 HG21 VAL 12 3HG2 VAL 12 2.196 -15.056 1.010
82 HG22 VAL 12 1HG2 VAL 12 0.577 -14.816 0.352
83 HG23 VAL 12 2HG2 VAL 12 1.522 -13.431 0.897
84 H LEU 13 HN LEU 13 3.698 -11.367 -1.915
85 HA LEU 13 HA LEU 13 4.699 -12.372 -4.496
86 HB2 LEU 13 2HB LEU 13 2.873 -11.272 -5.250
87 HB3 LEU 13 1HB LEU 13 2.718 -10.325 -3.788
88 HG LEU 13 HG LEU 13 4.525 -8.831 -4.535
89 HD11 LEU 13 1HD1 LEU 13 4.563 -9.663 -7.319
90 HD12 LEU 13 2HD1 LEU 13 5.117 -10.982 -6.299
91 HD13 LEU 13 3HD1 LEU 13 5.935 -9.424 -6.239
92 HD21 LEU 13 3HD2 LEU 13 2.289 -9.266 -6.537
93 HD22 LEU 13 1HD2 LEU 13 3.338 -7.849 -6.500
94 HD23 LEU 13 2HD2 LEU 13 2.285 -8.204 -5.133
95 H GLY 14 HN GLY 14 5.071 -9.854 -2.031
96 HA2 GLY 14 2HA GLY 14 7.425 -9.393 -1.360
97 HA3 GLY 14 1HA GLY 14 7.787 -9.307 -3.077
98 H ILE 15 HN ILE 15 4.830 -7.881 -2.855
99 HA ILE 15 HA ILE 15 5.761 -5.271 -1.921
100 HB ILE 15 HB ILE 15 5.019 -4.154 -4.022
101 HG12 ILE 15 2HG1 ILE 15 5.263 -6.744 -5.484
102 HG13 ILE 15 1HG1 ILE 15 3.748 -6.443 -4.643
103 HG21 ILE 15 1HG2 ILE 15 7.164 -6.212 -4.581
104 HG22 ILE 15 2HG2 ILE 15 7.426 -4.846 -3.496
105 HG23 ILE 15 3HG2 ILE 15 7.060 -4.563 -5.197
106 HD11 ILE 15 3HD1 ILE 15 4.919 -4.289 -6.368
107 HD12 ILE 15 1HD1 ILE 15 3.233 -4.585 -5.937
108 HD13 ILE 15 2HD1 ILE 15 4.037 -5.623 -7.117
109 H CYS 16 HN CYS 16 3.735 -3.659 -2.661
110 HA CYS 16 HA CYS 16 1.477 -4.808 -1.224
111 HB2 CYS 16 2HB CYS 16 1.794 -1.989 -2.257
112 HB3 CYS 16 1HB CYS 16 0.707 -2.569 -0.999
113 H THR 17 HN THR 17 -0.492 -5.117 -2.040
114 HA THR 17 HA THR 17 -0.885 -4.626 -4.934
115 HB THR 17 HB THR 17 -2.099 -6.756 -5.084
116 HG1 THR 17 1HG THR 17 -1.531 -8.165 -3.150
117 HG21 THR 17 3HG2 THR 17 0.280 -7.920 -4.007
118 HG22 THR 17 1HG2 THR 17 0.697 -6.380 -4.757
119 HG23 THR 17 2HG2 THR 17 -0.127 -7.623 -5.698
120 H ILE 18 HN ILE 18 -3.074 -4.309 -5.596
121 HA ILE 18 HA ILE 18 -4.575 -2.699 -3.921
122 HB ILE 18 HB ILE 18 -4.674 -2.917 -6.470
123 HG12 ILE 18 2HG1 ILE 18 -7.430 -2.996 -5.288
124 HG13 ILE 18 1HG1 ILE 18 -6.339 -1.702 -4.811
125 HG21 ILE 18 1HG2 ILE 18 -6.809 -4.957 -5.870
126 HG22 ILE 18 2HG2 ILE 18 -5.146 -5.457 -6.176
127 HG23 ILE 18 3HG2 ILE 18 -6.046 -4.584 -7.417
128 HD11 ILE 18 3HD1 ILE 18 -6.281 -0.773 -6.898
129 HD12 ILE 18 1HD1 ILE 18 -7.904 -1.456 -6.933
130 HD13 ILE 18 2HD1 ILE 18 -6.572 -2.310 -7.715
131 H THR 19 HN THR 19 -6.062 -3.058 -2.402
132 HA THR 19 HA THR 19 -6.607 -5.824 -1.659
133 HB THR 19 HB THR 19 -6.083 -4.648 0.256
134 HG1 THR 19 1HG THR 19 -8.194 -4.064 1.220
135 HG21 THR 19 3HG2 THR 19 -5.801 -2.449 -0.470
136 HG22 THR 19 1HG2 THR 19 -7.180 -2.305 0.620
137 HG23 THR 19 2HG2 THR 19 -7.436 -2.348 -1.126
138 H LEU 20 HN LEU 20 -8.865 -6.391 -0.972
139 HA LEU 20 HA LEU 20 -10.676 -5.970 -3.088
140 HB2 LEU 20 2HB LEU 20 -10.999 -7.167 -0.357
141 HB3 LEU 20 1HB LEU 20 -12.254 -7.174 -1.587
142 HG LEU 20 HG LEU 20 -9.472 -8.308 -1.963
143 HD11 LEU 20 1HD1 LEU 20 -10.899 -9.507 -0.318
144 HD12 LEU 20 2HD1 LEU 20 -10.520 -10.469 -1.749
145 HD13 LEU 20 3HD1 LEU 20 -12.104 -9.712 -1.584
146 HD21 LEU 20 3HD2 LEU 20 -11.063 -9.475 -3.844
147 HD22 LEU 20 1HD2 LEU 20 -10.101 -8.029 -4.145
148 HD23 LEU 20 2HD2 LEU 20 -11.811 -7.881 -3.747
149 H SER 21 HN SER 21 -10.020 -4.270 -0.217
150 HA SER 21 HA SER 21 -12.479 -3.101 0.388
151 HB2 SER 21 2HB SER 21 -9.686 -1.977 0.654
152 HB3 SER 21 1HB SER 21 -11.120 -1.223 1.344
153 HG SER 21 HG SER 21 -10.128 -2.578 2.861
154 H ARG 22 HN ARG 22 -10.279 -2.506 -2.226
155 HA ARG 22 HA ARG 22 -11.010 0.092 -2.974
156 HB2 ARG 22 2HB ARG 22 -9.109 -1.085 -3.982
157 HB3 ARG 22 1HB ARG 22 -10.211 -2.229 -4.747
158 HG2 ARG 22 2HG ARG 22 -10.902 0.580 -5.268
159 HG3 ARG 22 1HG ARG 22 -9.322 0.116 -5.900
160 HD2 ARG 22 2HD ARG 22 -10.260 -1.671 -7.185
161 HD3 ARG 22 1HD ARG 22 -11.812 -1.538 -6.369
162 HE ARG 22 HE ARG 22 -12.324 0.318 -7.712
163 HH11 ARG 22 1HH2 ARG 22 -9.050 -0.728 -8.109
164 HH12 ARG 22 2HH2 ARG 22 -8.770 0.231 -9.521
165 HH21 ARG 22 1HH1 ARG 22 -11.964 1.579 -9.565
166 HH22 ARG 22 2HH1 ARG 22 -10.418 1.537 -10.346
167 H ILE 23 HN ILE 23 -12.558 -3.016 -3.569
168 HA ILE 23 HA ILE 23 -14.323 -2.603 -5.566
169 HB ILE 23 HB ILE 23 -14.924 -3.795 -2.856
170 HG12 ILE 23 2HG1 ILE 23 -14.345 -5.143 -5.509
171 HG13 ILE 23 1HG1 ILE 23 -13.091 -4.792 -4.320
172 HG21 ILE 23 1HG2 ILE 23 -17.082 -3.611 -3.611
173 HG22 ILE 23 2HG2 ILE 23 -16.630 -5.028 -4.561
174 HG23 ILE 23 3HG2 ILE 23 -16.582 -3.426 -5.292
175 HD11 ILE 23 3HD1 ILE 23 -15.589 -6.371 -3.669
176 HD12 ILE 23 1HD1 ILE 23 -14.144 -6.195 -2.675
177 HD13 ILE 23 2HD1 ILE 23 -14.076 -7.125 -4.171
178 H GLU 24 HN GLU 24 -15.976 -2.301 -2.545
179 HA GLU 24 HA GLU 24 -16.774 0.460 -3.171
180 HB2 GLU 24 2HB GLU 24 -18.649 -1.855 -2.652
181 HB3 GLU 24 1HB GLU 24 -19.142 -0.162 -2.595
182 HG2 GLU 24 2HG GLU 24 -18.418 0.145 -4.916
183 HG3 GLU 24 1HG GLU 24 -17.877 -1.526 -4.984
184 H HIS 25 HN HIS 25 -14.960 -0.613 -1.163
185 HA HIS 25 HA HIS 25 -16.421 0.266 1.262
186 HB2 HIS 25 2HB HIS 25 -14.309 -1.894 1.148
187 HB3 HIS 25 1HB HIS 25 -15.215 -1.376 2.568
188 HD2 HIS 25 2HD HIS 25 -15.590 -3.852 -0.352
189 HE1 HIS 25 1HE HIS 25 -19.384 -3.577 1.475
190 HE2 HIS 25 2HE HIS 25 -17.990 -4.871 -0.203
191 HA PRO 26 HA PRO 26 -12.418 2.629 0.321
192 HB2 PRO 26 2HB PRO 26 -13.603 5.120 0.357
193 HB3 PRO 26 1HB PRO 26 -13.345 4.162 -1.114
194 HG2 PRO 26 2HG PRO 26 -15.808 4.492 0.524
195 HG3 PRO 26 1HG PRO 26 -15.623 4.408 -1.237
196 HD2 PRO 26 2HD PRO 26 -16.492 2.296 0.214
197 HD3 PRO 26 1HD PRO 26 -15.511 2.087 -1.252
198 H GLY 27 HN GLY 27 -14.993 2.726 2.607
199 HA2 GLY 27 2HA GLY 27 -14.016 4.568 4.484
200 HA3 GLY 27 1HA GLY 27 -15.078 3.212 4.854
201 H ASN 28 HN ASN 28 -13.249 1.168 3.914
202 HA ASN 28 HA ASN 28 -11.643 -0.211 4.804
203 HB2 ASN 28 2HB ASN 28 -10.284 2.426 5.395
204 HB3 ASN 28 1HB ASN 28 -9.504 0.846 5.362
205 HD21 ASN 28 1HD2 ASN 28 -10.209 -0.378 3.107
206 HD22 ASN 28 2HD2 ASN 28 -9.958 0.579 1.728
207 H TYR 29 HN TYR 29 -13.813 0.478 6.507
208 HA TYR 29 HA TYR 29 -14.479 0.296 8.701
209 HB2 TYR 29 2HB TYR 29 -11.683 -0.782 9.142
210 HB3 TYR 29 1HB TYR 29 -13.102 -1.066 10.150
211 HD1 TYR 29 1HD TYR 29 -14.950 -2.501 9.364
212 HD2 TYR 29 2HD TYR 29 -11.408 -1.899 7.007
213 HE1 TYR 29 1HE TYR 29 -15.570 -4.432 7.936
214 HE2 TYR 29 2HE TYR 29 -12.030 -3.827 5.579
215 HH TYR 29 HH TYR 29 -14.807 -5.872 6.361
216 H ASP 30 HN ASP 30 -12.764 2.661 7.684
217 HA ASP 30 HA ASP 30 -11.824 4.580 8.531
218 HB2 ASP 30 2HB ASP 30 -14.167 4.605 9.490
219 HB3 ASP 30 1HB ASP 30 -13.482 3.949 10.976
220 H TYR 31 HN TYR 31 -10.167 2.381 8.829
221 HA TYR 31 HA TYR 31 -9.187 1.657 11.269
222 HB2 TYR 31 2HB TYR 31 -7.054 1.302 10.229
223 HB3 TYR 31 1HB TYR 31 -8.288 0.970 9.014
224 HD1 TYR 31 2HD TYR 31 -8.739 2.581 7.196
225 HD2 TYR 31 1HD TYR 31 -5.598 3.231 10.052
226 HE1 TYR 31 2HE TYR 31 -7.757 4.314 5.720
227 HE2 TYR 31 1HE TYR 31 -4.615 4.965 8.576
228 HH TYR 31 HH TYR 31 -5.633 6.560 6.686
Start of MODEL 12
1 H1 PCA 1 HN PCA 1 8.257 -1.657 4.320
2 HA PCA 1 HA PCA 1 6.770 -3.238 2.833
3 HB2 PCA 1 2HB PCA 1 4.913 -3.830 4.989
4 HB3 PCA 1 1HB PCA 1 5.915 -4.974 4.042
5 HG2 PCA 1 1HG PCA 1 7.357 -5.194 5.787
6 HG3 PCA 1 2HG PCA 1 6.343 -4.078 6.756
7 H TRP 2 HN TRP 2 6.930 -0.469 3.564
8 HA TRP 2 HA TRP 2 4.392 0.494 4.331
9 HB2 TRP 2 2HB TRP 2 6.441 1.884 4.276
10 HB3 TRP 2 1HB TRP 2 6.426 1.811 2.514
11 HD1 TRP 2 HD TRP 2 4.608 3.355 5.478
12 HE1 TRP 2 1HE TRP 2 3.019 5.195 4.621
13 HE3 TRP 2 3HE TRP 2 5.001 2.586 0.446
14 HZ2 TRP 2 2HZ TRP 2 2.043 6.207 2.129
15 HZ3 TRP 2 3HZ TRP 2 3.732 4.001 -1.146
16 HH2 TRP 2 HH TRP 2 2.255 5.808 -0.311
17 H CYS 3 HN CYS 3 2.515 0.690 3.266
18 HA CYS 3 HA CYS 3 2.504 0.195 0.346
19 HB2 CYS 3 2HB CYS 3 0.461 -0.658 2.407
20 HB3 CYS 3 1HB CYS 3 0.278 -0.845 0.663
21 H GLN 4 HN GLN 4 0.906 1.293 -0.873
22 HA GLN 4 HA GLN 4 0.262 3.887 0.197
23 HB2 GLN 4 2HB GLN 4 -0.824 3.483 -2.414
24 HB3 GLN 4 1HB GLN 4 0.511 4.529 -1.937
25 HG2 GLN 4 2HG GLN 4 2.037 2.557 -2.041
26 HG3 GLN 4 1HG GLN 4 0.688 1.580 -2.619
27 HE21 GLN 4 1HE2 GLN 4 3.331 3.237 -3.737
28 HE22 GLN 4 2HE2 GLN 4 2.781 3.620 -5.296
29 HA PRO 5 HA PRO 5 -4.041 3.408 1.073
30 HB2 PRO 5 2HB PRO 5 -4.839 5.322 -1.045
31 HB3 PRO 5 1HB PRO 5 -5.094 5.406 0.706
32 HG2 PRO 5 2HG PRO 5 -3.323 6.945 -0.575
33 HG3 PRO 5 1HG PRO 5 -3.086 6.402 1.092
34 HD2 PRO 5 2HD PRO 5 -1.747 5.476 -1.409
35 HD3 PRO 5 1HD PRO 5 -1.147 5.543 0.258
36 H GLY 6 HN GLY 6 -5.630 2.028 0.471
37 HA2 GLY 6 2HA GLY 6 -7.082 0.829 -0.906
38 HA3 GLY 6 1HA GLY 6 -6.357 1.617 -2.303
39 H TYR 7 HN TYR 7 -3.814 0.532 -0.542
40 HA TYR 7 HA TYR 7 -3.761 -2.098 -1.894
41 HB2 TYR 7 2HB TYR 7 -1.617 -0.029 -1.615
42 HB3 TYR 7 1HB TYR 7 -1.207 -1.706 -1.879
43 HD1 TYR 7 1HD TYR 7 -3.488 0.950 -3.235
44 HD2 TYR 7 2HD TYR 7 -1.061 -2.494 -4.051
45 HE1 TYR 7 1HE TYR 7 -3.963 1.192 -5.656
46 HE2 TYR 7 2HE TYR 7 -1.548 -2.264 -6.476
47 HH TYR 7 HH TYR 7 -2.223 -0.495 -8.047
48 H ALA 8 HN ALA 8 -2.219 -3.622 -0.881
49 HA ALA 8 HA ALA 8 -1.737 -3.181 1.970
50 HB1 ALA 8 1HB ALA 8 -3.305 -4.597 2.718
51 HB2 ALA 8 2HB ALA 8 -2.786 -5.847 1.586
52 HB3 ALA 8 3HB ALA 8 -3.968 -4.640 1.084
53 H TYR 9 HN TYR 9 0.108 -4.122 2.658
54 HA TYR 9 HA TYR 9 2.046 -4.971 0.941
55 HB2 TYR 9 2HB TYR 9 2.595 -4.367 3.217
56 HB3 TYR 9 1HB TYR 9 1.691 -5.751 3.827
57 HD1 TYR 9 1HD TYR 9 4.102 -5.494 0.935
58 HD2 TYR 9 2HD TYR 9 3.250 -7.216 4.782
59 HE1 TYR 9 1HE TYR 9 6.108 -6.913 0.741
60 HE2 TYR 9 2HE TYR 9 5.270 -8.646 4.581
61 HH TYR 9 HH TYR 9 7.666 -8.111 2.228
62 H ASN 10 HN ASN 10 2.670 -6.845 -0.001
63 HA ASN 10 HA ASN 10 0.948 -9.201 0.464
64 HB2 ASN 10 2HB ASN 10 1.009 -7.826 -1.825
65 HB3 ASN 10 1HB ASN 10 2.365 -8.891 -2.108
66 HD21 ASN 10 1HD2 ASN 10 1.942 -11.173 -2.353
67 HD22 ASN 10 2HD2 ASN 10 0.370 -11.793 -2.464
68 HA PRO 11 HA PRO 11 5.247 -10.439 1.678
69 HB2 PRO 11 2HB PRO 11 3.905 -12.462 3.311
70 HB3 PRO 11 1HB PRO 11 4.965 -11.144 3.821
71 HG2 PRO 11 2HG PRO 11 2.275 -11.252 4.295
72 HG3 PRO 11 1HG PRO 11 3.231 -9.769 4.261
73 HD2 PRO 11 2HD PRO 11 1.341 -10.828 2.233
74 HD3 PRO 11 1HD PRO 11 1.806 -9.157 2.581
75 H VAL 12 HN VAL 12 2.824 -11.788 -0.139
76 HA VAL 12 HA VAL 12 4.195 -14.385 -0.459
77 HB VAL 12 HB VAL 12 1.509 -13.562 -1.579
78 HG11 VAL 12 1HG1 VAL 12 1.210 -16.025 -1.722
79 HG12 VAL 12 2HG1 VAL 12 2.852 -16.243 -1.116
80 HG13 VAL 12 3HG1 VAL 12 2.583 -15.475 -2.680
81 HG21 VAL 12 3HG2 VAL 12 0.583 -14.893 0.338
82 HG22 VAL 12 1HG2 VAL 12 1.389 -13.409 0.852
83 HG23 VAL 12 2HG2 VAL 12 2.207 -14.963 1.022
84 H LEU 13 HN LEU 13 3.645 -11.353 -1.927
85 HA LEU 13 HA LEU 13 4.659 -12.367 -4.497
86 HB2 LEU 13 2HB LEU 13 2.822 -11.254 -5.255
87 HB3 LEU 13 1HB LEU 13 2.675 -10.300 -3.796
88 HG LEU 13 HG LEU 13 4.497 -8.828 -4.537
89 HD11 LEU 13 1HD1 LEU 13 5.898 -9.453 -6.235
90 HD12 LEU 13 2HD1 LEU 13 4.529 -9.659 -7.327
91 HD13 LEU 13 3HD1 LEU 13 5.046 -10.989 -6.306
92 HD21 LEU 13 3HD2 LEU 13 3.324 -7.825 -6.497
93 HD22 LEU 13 1HD2 LEU 13 2.273 -8.157 -5.129
94 HD23 LEU 13 2HD2 LEU 13 2.253 -9.227 -6.526
95 H GLY 14 HN GLY 14 5.033 -9.850 -2.030
96 HA2 GLY 14 2HA GLY 14 7.379 -9.414 -1.368
97 HA3 GLY 14 1HA GLY 14 7.752 -9.324 -3.083
98 H ILE 15 HN ILE 15 4.799 -7.889 -2.839
99 HA ILE 15 HA ILE 15 5.717 -5.276 -1.913
100 HB ILE 15 HB ILE 15 4.987 -4.166 -4.021
101 HG12 ILE 15 2HG1 ILE 15 5.189 -6.778 -5.470
102 HG13 ILE 15 1HG1 ILE 15 3.685 -6.446 -4.630
103 HG21 ILE 15 1HG2 ILE 15 7.015 -4.611 -5.215
104 HG22 ILE 15 2HG2 ILE 15 7.115 -6.248 -4.567
105 HG23 ILE 15 3HG2 ILE 15 7.388 -4.863 -3.510
106 HD11 ILE 15 3HD1 ILE 15 3.177 -4.611 -5.948
107 HD12 ILE 15 1HD1 ILE 15 3.998 -5.649 -7.115
108 HD13 ILE 15 2HD1 ILE 15 4.868 -4.311 -6.363
109 H CYS 16 HN CYS 16 3.705 -3.660 -2.636
110 HA CYS 16 HA CYS 16 1.442 -4.803 -1.220
111 HB2 CYS 16 2HB CYS 16 1.750 -1.994 -2.265
112 HB3 CYS 16 1HB CYS 16 0.677 -2.568 -0.990
113 H THR 17 HN THR 17 -0.537 -5.109 -2.030
114 HA THR 17 HA THR 17 -0.926 -4.608 -4.921
115 HB THR 17 HB THR 17 -2.108 -6.746 -5.106
116 HG1 THR 17 1HG THR 17 -1.135 -7.378 -2.541
117 HG21 THR 17 3HG2 THR 17 0.187 -6.843 -5.697
118 HG22 THR 17 1HG2 THR 17 -0.082 -8.231 -4.643
119 HG23 THR 17 2HG2 THR 17 0.700 -6.782 -4.010
120 H ILE 18 HN ILE 18 -3.109 -4.295 -5.579
121 HA ILE 18 HA ILE 18 -4.622 -2.697 -3.903
122 HB ILE 18 HB ILE 18 -4.710 -2.963 -6.463
123 HG12 ILE 18 2HG1 ILE 18 -7.460 -2.929 -5.246
124 HG13 ILE 18 1HG1 ILE 18 -6.325 -1.657 -4.818
125 HG21 ILE 18 1HG2 ILE 18 -5.233 -5.470 -6.144
126 HG22 ILE 18 2HG2 ILE 18 -6.157 -4.594 -7.365
127 HG23 ILE 18 3HG2 ILE 18 -6.880 -4.944 -5.794
128 HD11 ILE 18 3HD1 ILE 18 -5.971 -1.237 -7.266
129 HD12 ILE 18 1HD1 ILE 18 -7.596 -0.881 -6.698
130 HD13 ILE 18 2HD1 ILE 18 -7.284 -2.368 -7.590
131 H THR 19 HN THR 19 -6.118 -3.059 -2.391
132 HA THR 19 HA THR 19 -6.606 -5.815 -1.591
133 HB THR 19 HB THR 19 -6.189 -4.556 0.294
134 HG1 THR 19 1HG THR 19 -8.930 -4.004 0.167
135 HG21 THR 19 3HG2 THR 19 -7.523 -2.365 -1.238
136 HG22 THR 19 1HG2 THR 19 -5.961 -2.365 -0.419
137 HG23 THR 19 2HG2 THR 19 -7.449 -2.247 0.520
138 H LEU 20 HN LEU 20 -8.702 -6.666 -1.214
139 HA LEU 20 HA LEU 20 -10.552 -6.206 -3.269
140 HB2 LEU 20 2HB LEU 20 -10.372 -8.341 -2.022
141 HB3 LEU 20 1HB LEU 20 -11.023 -7.544 -0.590
142 HG LEU 20 HG LEU 20 -12.643 -7.118 -2.999
143 HD11 LEU 20 1HD1 LEU 20 -13.591 -9.422 -2.928
144 HD12 LEU 20 2HD1 LEU 20 -12.266 -9.894 -1.864
145 HD13 LEU 20 3HD1 LEU 20 -11.930 -9.375 -3.515
146 HD21 LEU 20 3HD2 LEU 20 -13.422 -8.367 -0.361
147 HD22 LEU 20 1HD2 LEU 20 -14.429 -7.428 -1.462
148 HD23 LEU 20 2HD2 LEU 20 -13.169 -6.629 -0.524
149 H SER 21 HN SER 21 -10.271 -4.951 -0.018
150 HA SER 21 HA SER 21 -12.849 -3.871 0.306
151 HB2 SER 21 2HB SER 21 -11.926 -2.561 2.060
152 HB3 SER 21 1HB SER 21 -10.963 -4.036 2.033
153 HG SER 21 HG SER 21 -9.304 -2.957 1.189
154 H ARG 22 HN ARG 22 -10.246 -2.930 -1.733
155 HA ARG 22 HA ARG 22 -10.624 -0.202 -2.062
156 HB2 ARG 22 2HB ARG 22 -8.803 -1.364 -3.171
157 HB3 ARG 22 1HB ARG 22 -9.942 -2.307 -4.131
158 HG2 ARG 22 2HG ARG 22 -10.365 0.595 -4.330
159 HG3 ARG 22 1HG ARG 22 -8.797 0.069 -4.935
160 HD2 ARG 22 2HD ARG 22 -11.485 -1.061 -5.775
161 HD3 ARG 22 1HD ARG 22 -10.476 0.012 -6.735
162 HE ARG 22 HE ARG 22 -8.863 -2.143 -6.127
163 HH11 ARG 22 1HH2 ARG 22 -11.929 -1.613 -7.641
164 HH12 ARG 22 2HH2 ARG 22 -11.791 -2.971 -8.709
165 HH21 ARG 22 1HH1 ARG 22 -8.675 -3.924 -7.523
166 HH22 ARG 22 2HH1 ARG 22 -9.950 -4.279 -8.642
167 H ILE 23 HN ILE 23 -12.571 -2.901 -3.138
168 HA ILE 23 HA ILE 23 -14.095 -1.695 -5.136
169 HB ILE 23 HB ILE 23 -14.903 -3.744 -3.077
170 HG12 ILE 23 2HG1 ILE 23 -14.183 -4.089 -6.002
171 HG13 ILE 23 1HG1 ILE 23 -13.005 -4.253 -4.699
172 HG21 ILE 23 1HG2 ILE 23 -16.345 -2.514 -5.395
173 HG22 ILE 23 2HG2 ILE 23 -16.981 -3.062 -3.845
174 HG23 ILE 23 3HG2 ILE 23 -16.571 -4.236 -5.094
175 HD11 ILE 23 3HD1 ILE 23 -14.556 -5.972 -3.657
176 HD12 ILE 23 1HD1 ILE 23 -13.817 -6.465 -5.181
177 HD13 ILE 23 2HD1 ILE 23 -15.495 -5.919 -5.148
178 H GLU 24 HN GLU 24 -15.758 -2.409 -2.179
179 HA GLU 24 HA GLU 24 -16.476 0.415 -1.819
180 HB2 GLU 24 2HB GLU 24 -18.455 -1.847 -2.181
181 HB3 GLU 24 1HB GLU 24 -18.884 -0.244 -1.584
182 HG2 GLU 24 2HG GLU 24 -18.028 0.767 -3.661
183 HG3 GLU 24 1HG GLU 24 -17.592 -0.831 -4.262
184 H HIS 25 HN HIS 25 -15.813 -2.682 -0.538
185 HA HIS 25 HA HIS 25 -15.682 -1.706 2.098
186 HB2 HIS 25 2HB HIS 25 -17.407 -3.538 2.879
187 HB3 HIS 25 1HB HIS 25 -17.957 -1.932 2.401
188 HD2 HIS 25 2HD HIS 25 -16.960 -4.215 -0.578
189 HE1 HIS 25 1HE HIS 25 -21.174 -4.254 -0.342
190 HE2 HIS 25 2HE HIS 25 -19.176 -4.918 -1.761
191 HA PRO 26 HA PRO 26 -12.950 -5.225 2.273
192 HB2 PRO 26 2HB PRO 26 -12.749 -5.580 4.976
193 HB3 PRO 26 1HB PRO 26 -11.978 -4.232 4.119
194 HG2 PRO 26 2HG PRO 26 -14.488 -4.275 5.712
195 HG3 PRO 26 1HG PRO 26 -13.233 -3.028 5.611
196 HD2 PRO 26 2HD PRO 26 -15.626 -2.867 4.265
197 HD3 PRO 26 1HD PRO 26 -14.130 -2.085 3.712
198 H GLY 27 HN GLY 27 -15.772 -5.434 4.437
199 HA2 GLY 27 2HA GLY 27 -15.758 -8.241 4.759
200 HA3 GLY 27 1HA GLY 27 -17.146 -7.192 5.007
201 H ASN 28 HN ASN 28 -17.356 -6.119 2.407
202 HA ASN 28 HA ASN 28 -18.370 -6.562 0.393
203 HB2 ASN 28 2HB ASN 28 -16.092 -7.750 0.184
204 HB3 ASN 28 1HB ASN 28 -17.019 -9.232 0.410
205 HD21 ASN 28 1HD2 ASN 28 -17.616 -6.190 -1.447
206 HD22 ASN 28 2HD2 ASN 28 -17.995 -6.987 -2.899
207 H TYR 29 HN TYR 29 -20.237 -6.809 2.055
208 HA TYR 29 HA TYR 29 -21.365 -9.527 1.951
209 HB2 TYR 29 2HB TYR 29 -23.008 -8.248 3.656
210 HB3 TYR 29 1HB TYR 29 -21.515 -9.012 4.180
211 HD1 TYR 29 1HD TYR 29 -19.348 -7.515 3.975
212 HD2 TYR 29 2HD TYR 29 -23.354 -5.985 4.150
213 HE1 TYR 29 1HE TYR 29 -18.469 -5.319 4.699
214 HE2 TYR 29 2HE TYR 29 -22.481 -3.786 4.892
215 HH TYR 29 HH TYR 29 -19.350 -3.335 6.012
216 H ASP 30 HN ASP 30 -21.664 -8.688 -0.432
217 HA ASP 30 HA ASP 30 -23.905 -6.915 -0.845
218 HB2 ASP 30 2HB ASP 30 -23.613 -7.416 -3.199
219 HB3 ASP 30 1HB ASP 30 -22.030 -7.139 -2.476
220 H TYR 31 HN TYR 31 -23.737 -9.977 0.307
221 HA TYR 31 HA TYR 31 -25.121 -11.839 0.263
222 HB2 TYR 31 2HB TYR 31 -26.397 -10.427 1.709
223 HB3 TYR 31 1HB TYR 31 -27.022 -9.493 0.350
224 HD1 TYR 31 1HD TYR 31 -26.961 -12.947 1.782
225 HD2 TYR 31 2HD TYR 31 -29.024 -10.126 -0.715
226 HE1 TYR 31 1HE TYR 31 -28.863 -14.526 1.570
227 HE2 TYR 31 2HE TYR 31 -30.926 -11.704 -0.927
228 HH TYR 31 HH TYR 31 -31.047 -14.696 0.937
Start of MODEL 13
1 H1 PCA 1 HN PCA 1 7.501 -2.364 5.734
2 HA PCA 1 HA PCA 1 7.617 -2.430 3.093
3 HB2 PCA 1 2HB PCA 1 5.144 -3.965 2.902
4 HB3 PCA 1 1HB PCA 1 6.762 -4.368 2.247
5 HG2 PCA 1 1HG PCA 1 7.110 -5.853 3.934
6 HG3 PCA 1 2HG PCA 1 5.468 -5.501 4.564
7 H TRP 2 HN TRP 2 7.106 -0.322 3.254
8 HA TRP 2 HA TRP 2 4.590 0.574 4.219
9 HB2 TRP 2 2HB TRP 2 6.610 2.013 4.044
10 HB3 TRP 2 1HB TRP 2 6.463 1.960 2.287
11 HD1 TRP 2 HD TRP 2 4.806 3.393 5.401
12 HE1 TRP 2 1HE TRP 2 3.114 5.204 4.690
13 HE3 TRP 2 3HE TRP 2 4.896 2.744 0.337
14 HZ2 TRP 2 2HZ TRP 2 1.952 6.240 2.290
15 HZ3 TRP 2 3HZ TRP 2 3.489 4.155 -1.137
16 HH2 TRP 2 HH TRP 2 2.018 5.900 -0.168
17 H CYS 3 HN CYS 3 2.656 0.739 3.248
18 HA CYS 3 HA CYS 3 2.507 0.176 0.345
19 HB2 CYS 3 2HB CYS 3 0.572 -0.598 2.534
20 HB3 CYS 3 1HB CYS 3 0.279 -0.821 0.809
21 H GLN 4 HN GLN 4 0.939 1.265 -0.855
22 HA GLN 4 HA GLN 4 0.299 3.873 0.179
23 HB2 GLN 4 2HB GLN 4 -0.813 3.419 -2.418
24 HB3 GLN 4 1HB GLN 4 0.524 4.478 -1.969
25 HG2 GLN 4 2HG GLN 4 2.051 2.502 -2.046
26 HG3 GLN 4 1HG GLN 4 0.700 1.517 -2.608
27 HE21 GLN 4 1HE2 GLN 4 1.095 1.157 -4.802
28 HE22 GLN 4 2HE2 GLN 4 1.488 2.371 -5.920
29 HA PRO 5 HA PRO 5 -3.981 3.356 1.120
30 HB2 PRO 5 2HB PRO 5 -4.816 5.316 -0.940
31 HB3 PRO 5 1HB PRO 5 -5.025 5.369 0.818
32 HG2 PRO 5 2HG PRO 5 -3.279 6.928 -0.489
33 HG3 PRO 5 1HG PRO 5 -3.011 6.364 1.167
34 HD2 PRO 5 2HD PRO 5 -1.723 5.458 -1.369
35 HD3 PRO 5 1HD PRO 5 -1.091 5.506 0.287
36 H GLY 6 HN GLY 6 -5.612 2.019 0.506
37 HA2 GLY 6 2HA GLY 6 -7.086 0.872 -0.888
38 HA3 GLY 6 1HA GLY 6 -6.343 1.666 -2.268
39 H TYR 7 HN TYR 7 -3.839 0.483 -0.505
40 HA TYR 7 HA TYR 7 -3.838 -2.114 -1.927
41 HB2 TYR 7 2HB TYR 7 -1.662 -0.094 -1.583
42 HB3 TYR 7 1HB TYR 7 -1.260 -1.778 -1.824
43 HD1 TYR 7 1HD TYR 7 -3.483 0.889 -3.258
44 HD2 TYR 7 2HD TYR 7 -1.066 -2.580 -3.991
45 HE1 TYR 7 1HE TYR 7 -3.891 1.122 -5.694
46 HE2 TYR 7 2HE TYR 7 -1.483 -2.357 -6.430
47 HH TYR 7 HH TYR 7 -2.246 -0.950 -8.037
48 H ALA 8 HN ALA 8 -2.322 -3.693 -0.925
49 HA ALA 8 HA ALA 8 -1.969 -3.341 1.961
50 HB1 ALA 8 1HB ALA 8 -3.129 -5.921 0.958
51 HB2 ALA 8 2HB ALA 8 -4.194 -4.557 1.303
52 HB3 ALA 8 3HB ALA 8 -3.181 -5.231 2.580
53 H TYR 9 HN TYR 9 -0.128 -4.226 2.699
54 HA TYR 9 HA TYR 9 1.932 -4.958 1.042
55 HB2 TYR 9 2HB TYR 9 2.457 -4.388 3.283
56 HB3 TYR 9 1HB TYR 9 1.419 -5.661 3.920
57 HD1 TYR 9 2HD TYR 9 3.917 -5.804 1.109
58 HD2 TYR 9 1HD TYR 9 2.860 -7.122 5.062
59 HE1 TYR 9 2HE TYR 9 5.809 -7.376 1.081
60 HE2 TYR 9 1HE TYR 9 4.765 -8.707 5.036
61 HH TYR 9 HH TYR 9 7.254 -8.548 2.745
62 H ASN 10 HN ASN 10 2.602 -6.770 0.044
63 HA ASN 10 HA ASN 10 0.997 -9.201 0.465
64 HB2 ASN 10 2HB ASN 10 1.053 -7.795 -1.803
65 HB3 ASN 10 1HB ASN 10 2.420 -8.854 -2.084
66 HD21 ASN 10 1HD2 ASN 10 2.005 -11.161 -2.265
67 HD22 ASN 10 2HD2 ASN 10 0.434 -11.769 -2.430
68 HA PRO 11 HA PRO 11 5.292 -10.428 1.589
69 HB2 PRO 11 2HB PRO 11 4.577 -12.356 3.391
70 HB3 PRO 11 1HB PRO 11 4.719 -10.640 3.788
71 HG2 PRO 11 2HG PRO 11 2.310 -12.269 3.351
72 HG3 PRO 11 1HG PRO 11 2.547 -10.869 4.394
73 HD2 PRO 11 2HD PRO 11 1.264 -10.845 1.927
74 HD3 PRO 11 1HD PRO 11 1.898 -9.414 2.755
75 H VAL 12 HN VAL 12 2.890 -11.840 -0.166
76 HA VAL 12 HA VAL 12 4.311 -14.404 -0.502
77 HB VAL 12 HB VAL 12 1.590 -13.598 -1.559
78 HG11 VAL 12 1HG1 VAL 12 3.073 -16.234 -1.364
79 HG12 VAL 12 2HG1 VAL 12 2.595 -15.395 -2.840
80 HG13 VAL 12 3HG1 VAL 12 1.367 -16.096 -1.787
81 HG21 VAL 12 3HG2 VAL 12 2.328 -15.258 0.875
82 HG22 VAL 12 1HG2 VAL 12 0.692 -14.962 0.284
83 HG23 VAL 12 2HG2 VAL 12 1.653 -13.627 0.922
84 H LEU 13 HN LEU 13 3.738 -11.363 -1.934
85 HA LEU 13 HA LEU 13 4.750 -12.333 -4.522
86 HB2 LEU 13 2HB LEU 13 2.919 -11.207 -5.272
87 HB3 LEU 13 1HB LEU 13 2.756 -10.288 -3.789
88 HG LEU 13 HG LEU 13 4.583 -8.791 -4.491
89 HD11 LEU 13 1HD1 LEU 13 5.164 -10.911 -6.289
90 HD12 LEU 13 2HD1 LEU 13 5.997 -9.367 -6.186
91 HD13 LEU 13 3HD1 LEU 13 4.642 -9.566 -7.295
92 HD21 LEU 13 3HD2 LEU 13 3.420 -7.743 -6.425
93 HD22 LEU 13 1HD2 LEU 13 2.347 -8.136 -5.089
94 HD23 LEU 13 2HD2 LEU 13 2.367 -9.157 -6.521
95 H GLY 14 HN GLY 14 5.093 -9.802 -2.052
96 HA2 GLY 14 2HA GLY 14 7.448 -9.382 -1.372
97 HA3 GLY 14 1HA GLY 14 7.816 -9.257 -3.086
98 H ILE 15 HN ILE 15 4.830 -7.859 -2.698
99 HA ILE 15 HA ILE 15 5.734 -5.262 -1.750
100 HB ILE 15 HB ILE 15 4.983 -4.115 -3.836
101 HG12 ILE 15 2HG1 ILE 15 5.269 -6.694 -5.330
102 HG13 ILE 15 1HG1 ILE 15 3.744 -6.401 -4.508
103 HG21 ILE 15 1HG2 ILE 15 7.172 -6.117 -4.432
104 HG22 ILE 15 2HG2 ILE 15 7.402 -4.774 -3.312
105 HG23 ILE 15 3HG2 ILE 15 7.036 -4.455 -5.008
106 HD11 ILE 15 3HD1 ILE 15 4.904 -4.206 -6.171
107 HD12 ILE 15 1HD1 ILE 15 3.216 -4.577 -5.819
108 HD13 ILE 15 2HD1 ILE 15 4.112 -5.556 -6.983
109 H CYS 16 HN CYS 16 3.685 -3.683 -2.541
110 HA CYS 16 HA CYS 16 1.426 -4.867 -1.137
111 HB2 CYS 16 2HB CYS 16 1.635 -2.047 -2.171
112 HB3 CYS 16 1HB CYS 16 0.629 -2.660 -0.858
113 H THR 17 HN THR 17 -0.564 -5.175 -1.983
114 HA THR 17 HA THR 17 -0.901 -4.682 -4.881
115 HB THR 17 HB THR 17 -2.097 -6.837 -5.051
116 HG1 THR 17 1HG THR 17 -2.510 -6.818 -2.687
117 HG21 THR 17 3HG2 THR 17 0.695 -6.404 -4.713
118 HG22 THR 17 1HG2 THR 17 -0.106 -7.637 -5.686
119 HG23 THR 17 2HG2 THR 17 0.298 -7.967 -4.002
120 H ILE 18 HN ILE 18 -3.044 -4.331 -5.580
121 HA ILE 18 HA ILE 18 -4.611 -2.747 -3.965
122 HB ILE 18 HB ILE 18 -4.689 -3.057 -6.511
123 HG12 ILE 18 2HG1 ILE 18 -7.426 -3.122 -5.292
124 HG13 ILE 18 1HG1 ILE 18 -6.342 -1.783 -4.921
125 HG21 ILE 18 1HG2 ILE 18 -6.098 -4.738 -7.390
126 HG22 ILE 18 2HG2 ILE 18 -6.786 -5.105 -5.808
127 HG23 ILE 18 3HG2 ILE 18 -5.122 -5.571 -6.180
128 HD11 ILE 18 3HD1 ILE 18 -7.863 -1.410 -6.903
129 HD12 ILE 18 1HD1 ILE 18 -6.944 -2.660 -7.741
130 HD13 ILE 18 2HD1 ILE 18 -6.141 -1.182 -7.210
131 H THR 19 HN THR 19 -6.308 -3.068 -2.596
132 HA THR 19 HA THR 19 -6.721 -5.820 -1.689
133 HB THR 19 HB THR 19 -6.319 -4.527 0.189
134 HG1 THR 19 1HG THR 19 -8.426 -4.065 1.105
135 HG21 THR 19 3HG2 THR 19 -7.614 -2.373 -1.424
136 HG22 THR 19 1HG2 THR 19 -6.100 -2.345 -0.520
137 HG23 THR 19 2HG2 THR 19 -7.638 -2.220 0.332
138 H LEU 20 HN LEU 20 -9.012 -6.326 -0.936
139 HA LEU 20 HA LEU 20 -10.755 -6.129 -3.182
140 HB2 LEU 20 2HB LEU 20 -10.605 -7.643 -0.749
141 HB3 LEU 20 1HB LEU 20 -12.227 -6.984 -0.933
142 HG LEU 20 HG LEU 20 -12.061 -9.195 -2.040
143 HD11 LEU 20 1HD1 LEU 20 -13.031 -6.817 -3.163
144 HD12 LEU 20 2HD1 LEU 20 -13.473 -8.456 -3.642
145 HD13 LEU 20 3HD1 LEU 20 -12.167 -7.614 -4.476
146 HD21 LEU 20 3HD2 LEU 20 -9.516 -8.182 -2.810
147 HD22 LEU 20 1HD2 LEU 20 -10.435 -8.444 -4.291
148 HD23 LEU 20 2HD2 LEU 20 -10.189 -9.772 -3.159
149 H SER 21 HN SER 21 -9.961 -3.768 -1.317
150 HA SER 21 HA SER 21 -12.684 -2.709 -0.877
151 HB2 SER 21 2HB SER 21 -10.034 -1.840 0.306
152 HB3 SER 21 1HB SER 21 -11.577 -1.043 0.601
153 HG SER 21 HG SER 21 -10.650 -2.948 1.996
154 H ARG 22 HN ARG 22 -10.667 -2.768 -3.310
155 HA ARG 22 HA ARG 22 -11.311 -0.025 -4.157
156 HB2 ARG 22 2HB ARG 22 -8.926 -0.141 -3.361
157 HB3 ARG 22 1HB ARG 22 -8.620 -1.289 -4.663
158 HG2 ARG 22 2HG ARG 22 -9.329 0.363 -6.331
159 HG3 ARG 22 1HG ARG 22 -9.716 1.511 -5.052
160 HD2 ARG 22 2HD ARG 22 -7.338 1.440 -4.324
161 HD3 ARG 22 1HD ARG 22 -6.976 0.382 -5.679
162 HE ARG 22 HE ARG 22 -7.482 3.241 -5.797
163 HH11 ARG 22 1HH2 ARG 22 -7.354 0.213 -7.467
164 HH12 ARG 22 2HH2 ARG 22 -7.116 0.925 -9.027
165 HH21 ARG 22 1HH1 ARG 22 -7.168 4.182 -7.839
166 HH22 ARG 22 2HH1 ARG 22 -7.010 3.173 -9.237
167 H ILE 23 HN ILE 23 -10.563 -3.365 -4.975
168 HA ILE 23 HA ILE 23 -10.572 -3.211 -7.761
169 HB ILE 23 HB ILE 23 -11.512 -5.401 -5.922
170 HG12 ILE 23 2HG1 ILE 23 -8.979 -5.158 -7.571
171 HG13 ILE 23 1HG1 ILE 23 -9.086 -4.663 -5.881
172 HG21 ILE 23 1HG2 ILE 23 -12.576 -5.863 -8.005
173 HG22 ILE 23 2HG2 ILE 23 -11.107 -6.832 -8.022
174 HG23 ILE 23 3HG2 ILE 23 -11.176 -5.323 -8.928
175 HD11 ILE 23 3HD1 ILE 23 -10.173 -7.340 -6.343
176 HD12 ILE 23 1HD1 ILE 23 -9.001 -6.798 -5.141
177 HD13 ILE 23 2HD1 ILE 23 -8.468 -7.214 -6.771
178 H GLU 24 HN GLU 24 -13.273 -3.639 -5.570
179 HA GLU 24 HA GLU 24 -15.150 -3.256 -7.810
180 HB2 GLU 24 2HB GLU 24 -15.583 -4.338 -5.024
181 HB3 GLU 24 1HB GLU 24 -16.879 -4.056 -6.187
182 HG2 GLU 24 2HG GLU 24 -15.839 -5.612 -7.766
183 HG3 GLU 24 1HG GLU 24 -14.492 -5.860 -6.658
184 H HIS 25 HN HIS 25 -13.734 -1.010 -6.971
185 HA HIS 25 HA HIS 25 -15.894 0.766 -6.294
186 HB2 HIS 25 2HB HIS 25 -13.861 1.225 -4.261
187 HB3 HIS 25 1HB HIS 25 -15.597 1.019 -4.072
188 HD2 HIS 25 2HD HIS 25 -16.212 -1.333 -2.780
189 HE1 HIS 25 1HE HIS 25 -12.674 -3.447 -3.635
190 HE2 HIS 25 2HE HIS 25 -14.890 -3.543 -2.395
191 HA PRO 26 HA PRO 26 -12.358 2.384 -8.922
192 HB2 PRO 26 2HB PRO 26 -14.715 3.753 -10.132
193 HB3 PRO 26 1HB PRO 26 -13.361 2.923 -10.921
194 HG2 PRO 26 2HG PRO 26 -15.777 1.822 -10.803
195 HG3 PRO 26 1HG PRO 26 -14.305 0.845 -10.671
196 HD2 PRO 26 2HD PRO 26 -16.220 1.670 -8.521
197 HD3 PRO 26 1HD PRO 26 -15.279 0.169 -8.686
198 H GLY 27 HN GLY 27 -15.169 4.007 -7.494
199 HA2 GLY 27 2HA GLY 27 -14.190 6.648 -7.520
200 HA3 GLY 27 1HA GLY 27 -15.400 6.027 -6.407
201 H ASN 28 HN ASN 28 -13.780 4.011 -5.191
202 HA ASN 28 HA ASN 28 -12.347 3.744 -3.411
203 HB2 ASN 28 2HB ASN 28 -10.731 4.406 -5.237
204 HB3 ASN 28 1HB ASN 28 -10.799 6.039 -4.584
205 HD21 ASN 28 1HD2 ASN 28 -9.227 3.022 -4.254
206 HD22 ASN 28 2HD2 ASN 28 -8.483 3.309 -2.757
207 H TYR 29 HN TYR 29 -14.449 4.921 -2.519
208 HA TYR 29 HA TYR 29 -13.724 7.462 -1.238
209 HB2 TYR 29 2HB TYR 29 -16.298 7.089 -0.511
210 HB3 TYR 29 1HB TYR 29 -15.841 7.843 -2.030
211 HD1 TYR 29 2HD TYR 29 -15.362 6.162 -4.016
212 HD2 TYR 29 1HD TYR 29 -17.724 5.238 -0.553
213 HE1 TYR 29 2HE TYR 29 -16.449 4.321 -5.259
214 HE2 TYR 29 1HE TYR 29 -18.831 3.401 -1.801
215 HH TYR 29 HH TYR 29 -18.150 1.900 -3.848
216 H ASP 30 HN ASP 30 -12.314 5.310 -0.248
217 HA ASP 30 HA ASP 30 -13.483 3.930 1.902
218 HB2 ASP 30 2HB ASP 30 -11.275 3.377 0.917
219 HB3 ASP 30 1HB ASP 30 -10.611 4.847 1.629
220 H TYR 31 HN TYR 31 -11.819 7.063 1.772
221 HA TYR 31 HA TYR 31 -11.654 8.769 3.307
222 HB2 TYR 31 2HB TYR 31 -13.990 9.062 2.867
223 HB3 TYR 31 1HB TYR 31 -14.418 7.691 3.889
224 HD1 TYR 31 2HD TYR 31 -12.866 11.085 3.953
225 HD2 TYR 31 1HD TYR 31 -14.759 7.964 6.218
226 HE1 TYR 31 2HE TYR 31 -12.991 12.588 5.922
227 HE2 TYR 31 1HE TYR 31 -14.884 9.467 8.185
228 HH TYR 31 HH TYR 31 -14.927 12.243 8.377
Start of MODEL 14
1 H1 PCA 1 HN PCA 1 7.658 -2.217 5.557
2 HA PCA 1 HA PCA 1 7.396 -2.580 2.969
3 HB2 PCA 1 2HB PCA 1 4.931 -4.086 3.189
4 HB3 PCA 1 1HB PCA 1 6.500 -4.626 2.515
5 HG2 PCA 1 1HG PCA 1 6.855 -5.898 4.366
6 HG3 PCA 1 2HG PCA 1 5.316 -5.315 5.077
7 H TRP 2 HN TRP 2 6.972 -0.390 3.263
8 HA TRP 2 HA TRP 2 4.448 0.499 4.235
9 HB2 TRP 2 2HB TRP 2 6.461 1.945 4.120
10 HB3 TRP 2 1HB TRP 2 6.361 1.908 2.359
11 HD1 TRP 2 HD TRP 2 4.617 3.312 5.441
12 HE1 TRP 2 1HE TRP 2 2.948 5.131 4.698
13 HE3 TRP 2 3HE TRP 2 4.857 2.712 0.378
14 HZ2 TRP 2 2HZ TRP 2 1.859 6.193 2.275
15 HZ3 TRP 2 3HZ TRP 2 3.495 4.141 -1.126
16 HH2 TRP 2 HH TRP 2 1.998 5.879 -0.182
17 H CYS 3 HN CYS 3 2.526 0.657 3.247
18 HA CYS 3 HA CYS 3 2.416 0.152 0.332
19 HB2 CYS 3 2HB CYS 3 0.436 -0.663 2.470
20 HB3 CYS 3 1HB CYS 3 0.209 -0.890 0.738
21 H GLN 4 HN GLN 4 0.865 1.264 -0.877
22 HA GLN 4 HA GLN 4 0.236 3.870 0.188
23 HB2 GLN 4 2HB GLN 4 -0.848 3.437 -2.433
24 HB3 GLN 4 1HB GLN 4 0.465 4.509 -1.950
25 HG2 GLN 4 2HG GLN 4 2.019 2.542 -2.013
26 HG3 GLN 4 1HG GLN 4 0.689 1.561 -2.628
27 HE21 GLN 4 1HE2 GLN 4 1.013 1.278 -4.835
28 HE22 GLN 4 2HE2 GLN 4 1.482 2.505 -5.911
29 HA PRO 5 HA PRO 5 -4.081 3.401 1.039
30 HB2 PRO 5 2HB PRO 5 -4.862 5.286 -1.121
31 HB3 PRO 5 1HB PRO 5 -5.150 5.388 0.624
32 HG2 PRO 5 2HG PRO 5 -3.371 6.925 -0.639
33 HG3 PRO 5 1HG PRO 5 -3.148 6.392 1.033
34 HD2 PRO 5 2HD PRO 5 -1.766 5.461 -1.442
35 HD3 PRO 5 1HD PRO 5 -1.191 5.540 0.235
36 H GLY 6 HN GLY 6 -5.654 1.993 0.444
37 HA2 GLY 6 2HA GLY 6 -7.086 0.764 -0.923
38 HA3 GLY 6 1HA GLY 6 -6.371 1.551 -2.324
39 H TYR 7 HN TYR 7 -3.854 0.473 -0.495
40 HA TYR 7 HA TYR 7 -3.761 -2.147 -1.859
41 HB2 TYR 7 2HB TYR 7 -1.633 -0.055 -1.564
42 HB3 TYR 7 1HB TYR 7 -1.211 -1.733 -1.824
43 HD1 TYR 7 2HD TYR 7 -3.517 0.887 -3.225
44 HD2 TYR 7 1HD TYR 7 -1.008 -2.511 -3.995
45 HE1 TYR 7 2HE TYR 7 -3.970 1.103 -5.655
46 HE2 TYR 7 1HE TYR 7 -1.467 -2.303 -6.423
47 HH TYR 7 HH TYR 7 -3.152 0.462 -7.739
48 H ALA 8 HN ALA 8 -2.210 -3.653 -0.833
49 HA ALA 8 HA ALA 8 -1.735 -3.207 2.015
50 HB1 ALA 8 1HB ALA 8 -3.167 -4.763 2.803
51 HB2 ALA 8 2HB ALA 8 -2.839 -5.872 1.471
52 HB3 ALA 8 3HB ALA 8 -3.998 -4.562 1.264
53 H TYR 9 HN TYR 9 0.079 -4.198 2.728
54 HA TYR 9 HA TYR 9 2.023 -5.003 0.984
55 HB2 TYR 9 2HB TYR 9 2.568 -4.419 3.276
56 HB3 TYR 9 1HB TYR 9 1.677 -5.822 3.863
57 HD1 TYR 9 1HD TYR 9 4.077 -5.498 0.972
58 HD2 TYR 9 2HD TYR 9 3.234 -7.271 4.796
59 HE1 TYR 9 1HE TYR 9 6.105 -6.896 0.770
60 HE2 TYR 9 2HE TYR 9 5.269 -8.680 4.588
61 HH TYR 9 HH TYR 9 7.716 -8.072 2.556
62 H ASN 10 HN ASN 10 2.647 -6.864 0.033
63 HA ASN 10 HA ASN 10 0.925 -9.232 0.454
64 HB2 ASN 10 2HB ASN 10 0.999 -7.816 -1.806
65 HB3 ASN 10 1HB ASN 10 2.369 -8.868 -2.104
66 HD21 ASN 10 1HD2 ASN 10 1.962 -11.148 -2.386
67 HD22 ASN 10 2HD2 ASN 10 0.396 -11.781 -2.521
68 HA PRO 11 HA PRO 11 5.227 -10.465 1.672
69 HB2 PRO 11 2HB PRO 11 3.885 -12.498 3.284
70 HB3 PRO 11 1HB PRO 11 4.952 -11.191 3.811
71 HG2 PRO 11 2HG PRO 11 2.269 -11.286 4.285
72 HG3 PRO 11 1HG PRO 11 3.226 -9.803 4.244
73 HD2 PRO 11 2HD PRO 11 1.329 -10.875 2.221
74 HD3 PRO 11 1HD PRO 11 1.776 -9.197 2.576
75 H VAL 12 HN VAL 12 2.818 -11.807 -0.165
76 HA VAL 12 HA VAL 12 4.191 -14.397 -0.504
77 HB VAL 12 HB VAL 12 1.515 -13.549 -1.629
78 HG11 VAL 12 1HG1 VAL 12 2.838 -16.248 -1.210
79 HG12 VAL 12 2HG1 VAL 12 2.592 -15.447 -2.761
80 HG13 VAL 12 3HG1 VAL 12 1.205 -16.004 -1.829
81 HG21 VAL 12 3HG2 VAL 12 0.586 -14.926 0.259
82 HG22 VAL 12 1HG2 VAL 12 1.376 -13.444 0.796
83 HG23 VAL 12 2HG2 VAL 12 2.207 -14.992 0.949
84 H LEU 13 HN LEU 13 3.672 -11.351 -1.951
85 HA LEU 13 HA LEU 13 4.719 -12.330 -4.526
86 HB2 LEU 13 2HB LEU 13 2.908 -11.228 -5.288
87 HB3 LEU 13 1HB LEU 13 2.722 -10.303 -3.816
88 HG LEU 13 HG LEU 13 4.538 -8.790 -4.514
89 HD11 LEU 13 1HD1 LEU 13 4.622 -9.563 -7.302
90 HD12 LEU 13 2HD1 LEU 13 5.141 -10.918 -6.307
91 HD13 LEU 13 3HD1 LEU 13 5.976 -9.372 -6.188
92 HD21 LEU 13 3HD2 LEU 13 2.326 -9.204 -6.547
93 HD22 LEU 13 1HD2 LEU 13 3.368 -7.782 -6.474
94 HD23 LEU 13 2HD2 LEU 13 2.296 -8.162 -5.127
95 H GLY 14 HN GLY 14 5.061 -9.834 -2.037
96 HA2 GLY 14 2HA GLY 14 7.417 -9.396 -1.339
97 HA3 GLY 14 1HA GLY 14 7.790 -9.282 -3.051
98 H ILE 15 HN ILE 15 4.831 -7.870 -2.826
99 HA ILE 15 HA ILE 15 5.746 -5.270 -1.849
100 HB ILE 15 HB ILE 15 5.002 -4.128 -3.933
101 HG12 ILE 15 2HG1 ILE 15 5.262 -6.703 -5.428
102 HG13 ILE 15 1HG1 ILE 15 3.741 -6.409 -4.597
103 HG21 ILE 15 1HG2 ILE 15 7.166 -6.162 -4.509
104 HG22 ILE 15 2HG2 ILE 15 7.411 -4.800 -3.416
105 HG23 ILE 15 3HG2 ILE 15 7.046 -4.511 -5.116
106 HD11 ILE 15 3HD1 ILE 15 3.221 -4.566 -5.893
107 HD12 ILE 15 1HD1 ILE 15 4.084 -5.560 -7.066
108 HD13 ILE 15 2HD1 ILE 15 4.910 -4.219 -6.269
109 H CYS 16 HN CYS 16 3.711 -3.664 -2.606
110 HA CYS 16 HA CYS 16 1.455 -4.838 -1.182
111 HB2 CYS 16 2HB CYS 16 1.749 -2.011 -2.194
112 HB3 CYS 16 1HB CYS 16 0.666 -2.608 -0.939
113 H THR 17 HN THR 17 -0.519 -5.109 -2.002
114 HA THR 17 HA THR 17 -0.894 -4.614 -4.897
115 HB THR 17 HB THR 17 -2.096 -6.748 -5.068
116 HG1 THR 17 1HG THR 17 -1.093 -7.419 -2.531
117 HG21 THR 17 3HG2 THR 17 0.234 -6.780 -5.650
118 HG22 THR 17 1HG2 THR 17 -0.090 -8.239 -4.713
119 HG23 THR 17 2HG2 THR 17 0.712 -6.862 -3.955
120 H ILE 18 HN ILE 18 -3.091 -4.306 -5.568
121 HA ILE 18 HA ILE 18 -4.589 -2.686 -3.898
122 HB ILE 18 HB ILE 18 -4.684 -2.926 -6.446
123 HG12 ILE 18 2HG1 ILE 18 -7.438 -2.954 -5.243
124 HG13 ILE 18 1HG1 ILE 18 -6.328 -1.666 -4.797
125 HG21 ILE 18 1HG2 ILE 18 -5.178 -5.448 -6.159
126 HG22 ILE 18 2HG2 ILE 18 -6.106 -4.572 -7.375
127 HG23 ILE 18 3HG2 ILE 18 -6.833 -4.948 -5.812
128 HD11 ILE 18 3HD1 ILE 18 -7.208 -2.384 -7.597
129 HD12 ILE 18 1HD1 ILE 18 -5.982 -1.179 -7.207
130 HD13 ILE 18 2HD1 ILE 18 -7.646 -0.939 -6.687
131 H THR 19 HN THR 19 -6.060 -3.041 -2.358
132 HA THR 19 HA THR 19 -6.616 -5.796 -1.603
133 HB THR 19 HB THR 19 -6.108 -4.538 0.281
134 HG1 THR 19 1HG THR 19 -8.678 -3.865 0.679
135 HG21 THR 19 3HG2 THR 19 -7.475 -2.267 0.557
136 HG22 THR 19 1HG2 THR 19 -7.499 -2.360 -1.205
137 HG23 THR 19 2HG2 THR 19 -5.960 -2.329 -0.344
138 H LEU 20 HN LEU 20 -8.758 -6.583 -1.218
139 HA LEU 20 HA LEU 20 -10.589 -6.028 -3.289
140 HB2 LEU 20 2HB LEU 20 -10.502 -7.754 -0.906
141 HB3 LEU 20 1HB LEU 20 -12.125 -7.255 -1.372
142 HG LEU 20 HG LEU 20 -11.372 -9.386 -2.471
143 HD11 LEU 20 1HD1 LEU 20 -12.678 -7.164 -3.615
144 HD12 LEU 20 2HD1 LEU 20 -12.754 -8.836 -4.168
145 HD13 LEU 20 3HD1 LEU 20 -11.555 -7.736 -4.847
146 HD21 LEU 20 3HD2 LEU 20 -8.978 -8.099 -2.747
147 HD22 LEU 20 1HD2 LEU 20 -9.656 -7.894 -4.363
148 HD23 LEU 20 2HD2 LEU 20 -9.450 -9.512 -3.692
149 H SER 21 HN SER 21 -10.009 -4.470 -0.313
150 HA SER 21 HA SER 21 -12.567 -3.462 0.301
151 HB2 SER 21 2HB SER 21 -9.817 -2.328 0.847
152 HB3 SER 21 1HB SER 21 -11.308 -1.673 1.518
153 HG SER 21 HG SER 21 -10.041 -4.138 1.990
154 H ARG 22 HN ARG 22 -10.236 -2.609 -2.110
155 HA ARG 22 HA ARG 22 -11.007 0.040 -2.648
156 HB2 ARG 22 2HB ARG 22 -8.970 -0.949 -3.583
157 HB3 ARG 22 1HB ARG 22 -9.939 -2.066 -4.544
158 HG2 ARG 22 2HG ARG 22 -10.716 0.752 -4.873
159 HG3 ARG 22 1HG ARG 22 -9.070 0.408 -5.402
160 HD2 ARG 22 2HD ARG 22 -9.927 -1.461 -6.793
161 HD3 ARG 22 1HD ARG 22 -11.569 -1.069 -6.292
162 HE ARG 22 HE ARG 22 -10.408 1.254 -7.368
163 HH11 ARG 22 1HH2 ARG 22 -11.389 -1.932 -8.295
164 HH12 ARG 22 2HH2 ARG 22 -11.758 -1.493 -9.929
165 HH21 ARG 22 1HH1 ARG 22 -10.891 1.838 -9.510
166 HH22 ARG 22 2HH1 ARG 22 -11.477 0.641 -10.616
167 H ILE 23 HN ILE 23 -12.284 -3.059 -3.783
168 HA ILE 23 HA ILE 23 -13.965 -2.182 -5.803
169 HB ILE 23 HB ILE 23 -14.629 -4.353 -3.818
170 HG12 ILE 23 2HG1 ILE 23 -12.360 -4.688 -4.610
171 HG13 ILE 23 1HG1 ILE 23 -13.422 -5.844 -5.408
172 HG21 ILE 23 1HG2 ILE 23 -15.898 -3.389 -6.219
173 HG22 ILE 23 2HG2 ILE 23 -16.409 -4.694 -5.148
174 HG23 ILE 23 3HG2 ILE 23 -15.307 -5.027 -6.483
175 HD11 ILE 23 3HD1 ILE 23 -12.086 -3.404 -6.547
176 HD12 ILE 23 1HD1 ILE 23 -13.576 -3.996 -7.280
177 HD13 ILE 23 2HD1 ILE 23 -12.158 -5.039 -7.201
178 H GLU 24 HN GLU 24 -15.578 -3.251 -2.905
179 HA GLU 24 HA GLU 24 -17.042 -0.691 -2.768
180 HB2 GLU 24 2HB GLU 24 -18.239 -3.466 -2.552
181 HB3 GLU 24 1HB GLU 24 -19.107 -1.949 -2.320
182 HG2 GLU 24 2HG GLU 24 -17.638 -2.662 -4.864
183 HG3 GLU 24 1HG GLU 24 -19.357 -2.950 -4.619
184 H HIS 25 HN HIS 25 -18.436 -2.868 -0.708
185 HA HIS 25 HA HIS 25 -18.327 -3.292 1.522
186 HB2 HIS 25 2HB HIS 25 -15.487 -2.324 1.589
187 HB3 HIS 25 1HB HIS 25 -16.242 -3.601 2.528
188 HD2 HIS 25 2HD HIS 25 -14.528 -3.143 -0.947
189 HE1 HIS 25 1HE HIS 25 -15.727 -7.177 -0.626
190 HE2 HIS 25 2HE HIS 25 -14.391 -5.522 -2.013
191 HA PRO 26 HA PRO 26 -19.483 0.464 3.605
192 HB2 PRO 26 2HB PRO 26 -17.662 -0.428 5.809
193 HB3 PRO 26 1HB PRO 26 -19.339 0.148 5.891
194 HG2 PRO 26 2HG PRO 26 -18.728 -2.433 6.072
195 HG3 PRO 26 1HG PRO 26 -20.209 -1.872 5.281
196 HD2 PRO 26 2HD PRO 26 -17.789 -3.064 4.090
197 HD3 PRO 26 1HD PRO 26 -19.443 -2.974 3.453
198 H GLY 27 HN GLY 27 -16.071 -0.427 3.737
199 HA2 GLY 27 2HA GLY 27 -14.954 2.033 4.453
200 HA3 GLY 27 1HA GLY 27 -14.146 0.814 3.473
201 H ASN 28 HN ASN 28 -16.097 0.892 1.307
202 HA ASN 28 HA ASN 28 -15.082 3.263 -0.059
203 HB2 ASN 28 2HB ASN 28 -16.679 0.870 -0.977
204 HB3 ASN 28 1HB ASN 28 -16.270 2.217 -2.037
205 HD21 ASN 28 1HD2 ASN 28 -15.277 -0.426 -2.534
206 HD22 ASN 28 2HD2 ASN 28 -13.596 -0.414 -2.296
207 H TYR 29 HN TYR 29 -18.130 1.980 1.135
208 HA TYR 29 HA TYR 29 -19.772 3.963 -0.127
209 HB2 TYR 29 2HB TYR 29 -20.315 2.108 2.195
210 HB3 TYR 29 1HB TYR 29 -21.535 3.114 1.418
211 HD1 TYR 29 1HD TYR 29 -21.544 2.927 -1.258
212 HD2 TYR 29 2HD TYR 29 -20.084 -0.084 1.431
213 HE1 TYR 29 1HE TYR 29 -21.858 1.204 -3.014
214 HE2 TYR 29 2HE TYR 29 -20.383 -1.806 -0.321
215 HH TYR 29 HH TYR 29 -21.717 -0.942 -3.526
216 H ASP 30 HN ASP 30 -17.617 4.083 2.447
217 HA ASP 30 HA ASP 30 -19.053 5.962 4.095
218 HB2 ASP 30 2HB ASP 30 -17.006 6.123 5.366
219 HB3 ASP 30 1HB ASP 30 -17.267 4.428 4.959
220 H TYR 31 HN TYR 31 -17.784 6.210 1.072
221 HA TYR 31 HA TYR 31 -16.169 8.361 0.814
222 HB2 TYR 31 2HB TYR 31 -16.928 8.529 -1.335
223 HB3 TYR 31 1HB TYR 31 -17.713 7.003 -0.925
224 HD1 TYR 31 2HD TYR 31 -20.107 7.012 -0.131
225 HD2 TYR 31 1HD TYR 31 -18.197 10.508 -1.738
226 HE1 TYR 31 2HE TYR 31 -22.326 8.058 -0.493
227 HE2 TYR 31 1HE TYR 31 -20.417 11.554 -2.100
228 HH TYR 31 HH TYR 31 -23.415 9.881 -1.133
Start of MODEL 15
1 H1 PCA 1 HN PCA 1 7.352 -2.393 5.843
2 HA PCA 1 HA PCA 1 7.325 -2.603 3.227
3 HB2 PCA 1 2HB PCA 1 4.845 -4.080 3.114
4 HB3 PCA 1 1HB PCA 1 6.470 -4.619 2.586
5 HG2 PCA 1 1HG PCA 1 6.586 -5.995 4.394
6 HG3 PCA 1 2HG PCA 1 5.004 -5.391 4.980
7 H TRP 2 HN TRP 2 6.871 -0.457 3.401
8 HA TRP 2 HA TRP 2 4.327 0.465 4.295
9 HB2 TRP 2 2HB TRP 2 6.344 1.894 4.257
10 HB3 TRP 2 1HB TRP 2 6.336 1.836 2.494
11 HD1 TRP 2 HD TRP 2 4.461 3.315 5.461
12 HE1 TRP 2 1HE TRP 2 2.849 5.135 4.606
13 HE3 TRP 2 3HE TRP 2 4.929 2.612 0.427
14 HZ2 TRP 2 2HZ TRP 2 1.886 6.159 2.114
15 HZ3 TRP 2 3HZ TRP 2 3.656 4.024 -1.165
16 HH2 TRP 2 HH TRP 2 2.136 5.794 -0.327
17 H CYS 3 HN CYS 3 2.444 0.635 3.249
18 HA CYS 3 HA CYS 3 2.419 0.145 0.329
19 HB2 CYS 3 2HB CYS 3 0.376 -0.693 2.400
20 HB3 CYS 3 1HB CYS 3 0.212 -0.920 0.659
21 H GLN 4 HN GLN 4 0.811 1.249 -0.886
22 HA GLN 4 HA GLN 4 0.194 3.857 0.204
23 HB2 GLN 4 2HB GLN 4 -0.885 3.439 -2.430
24 HB3 GLN 4 1HB GLN 4 0.417 4.519 -1.931
25 HG2 GLN 4 2HG GLN 4 1.989 2.571 -1.997
26 HG3 GLN 4 1HG GLN 4 0.674 1.582 -2.635
27 HE21 GLN 4 1HE2 GLN 4 1.104 1.304 -4.831
28 HE22 GLN 4 2HE2 GLN 4 1.528 2.557 -5.896
29 HA PRO 5 HA PRO 5 -4.117 3.367 0.994
30 HB2 PRO 5 2HB PRO 5 -4.919 5.228 -1.169
31 HB3 PRO 5 1HB PRO 5 -5.207 5.336 0.577
32 HG2 PRO 5 2HG PRO 5 -3.449 6.903 -0.682
33 HG3 PRO 5 1HG PRO 5 -3.212 6.356 0.986
34 HD2 PRO 5 2HD PRO 5 -1.852 5.421 -1.514
35 HD3 PRO 5 1HD PRO 5 -1.235 5.535 0.147
36 H GLY 6 HN GLY 6 -5.699 1.966 0.386
37 HA2 GLY 6 2HA GLY 6 -7.105 0.726 -0.988
38 HA3 GLY 6 1HA GLY 6 -6.381 1.512 -2.387
39 H TYR 7 HN TYR 7 -3.854 0.470 -0.570
40 HA TYR 7 HA TYR 7 -3.751 -2.155 -1.923
41 HB2 TYR 7 2HB TYR 7 -1.613 -0.071 -1.609
42 HB3 TYR 7 1HB TYR 7 -1.201 -1.754 -1.871
43 HD1 TYR 7 1HD TYR 7 -3.505 0.867 -3.274
44 HD2 TYR 7 2HD TYR 7 -0.980 -2.519 -4.038
45 HE1 TYR 7 1HE TYR 7 -3.939 1.094 -5.705
46 HE2 TYR 7 2HE TYR 7 -1.415 -2.296 -6.469
47 HH TYR 7 HH TYR 7 -2.292 0.143 -7.960
48 H ALA 8 HN ALA 8 -2.221 -3.669 -0.877
49 HA ALA 8 HA ALA 8 -1.773 -3.220 1.976
50 HB1 ALA 8 1HB ALA 8 -2.685 -5.815 1.983
51 HB2 ALA 8 2HB ALA 8 -3.792 -5.035 0.851
52 HB3 ALA 8 3HB ALA 8 -3.624 -4.411 2.493
53 H TYR 9 HN TYR 9 0.033 -4.252 2.715
54 HA TYR 9 HA TYR 9 2.004 -5.032 0.962
55 HB2 TYR 9 2HB TYR 9 2.538 -4.439 3.254
56 HB3 TYR 9 1HB TYR 9 1.651 -5.843 3.843
57 HD1 TYR 9 1HD TYR 9 4.081 -5.493 0.983
58 HD2 TYR 9 2HD TYR 9 3.199 -7.314 4.774
59 HE1 TYR 9 1HE TYR 9 6.118 -6.879 0.789
60 HE2 TYR 9 2HE TYR 9 5.242 -8.704 4.578
61 HH TYR 9 HH TYR 9 7.632 -8.121 2.143
62 H ASN 10 HN ASN 10 2.657 -6.878 0.032
63 HA ASN 10 HA ASN 10 0.944 -9.256 0.414
64 HB2 ASN 10 2HB ASN 10 1.036 -7.818 -1.831
65 HB3 ASN 10 1HB ASN 10 2.418 -8.859 -2.124
66 HD21 ASN 10 1HD2 ASN 10 2.025 -11.159 -2.393
67 HD22 ASN 10 2HD2 ASN 10 0.460 -11.784 -2.578
68 HA PRO 11 HA PRO 11 5.232 -10.470 1.671
69 HB2 PRO 11 2HB PRO 11 3.899 -12.511 3.265
70 HB3 PRO 11 1HB PRO 11 4.947 -11.190 3.799
71 HG2 PRO 11 2HG PRO 11 2.254 -11.324 4.252
72 HG3 PRO 11 1HG PRO 11 3.201 -9.831 4.242
73 HD2 PRO 11 2HD PRO 11 1.329 -10.883 2.186
74 HD3 PRO 11 1HD PRO 11 1.782 -9.208 2.552
75 H VAL 12 HN VAL 12 2.850 -11.804 -0.195
76 HA VAL 12 HA VAL 12 4.220 -14.399 -0.510
77 HB VAL 12 HB VAL 12 1.562 -13.567 -1.689
78 HG11 VAL 12 1HG1 VAL 12 2.627 -15.474 -2.783
79 HG12 VAL 12 2HG1 VAL 12 1.270 -16.042 -1.811
80 HG13 VAL 12 3HG1 VAL 12 2.921 -16.238 -1.221
81 HG21 VAL 12 3HG2 VAL 12 0.545 -14.783 0.197
82 HG22 VAL 12 1HG2 VAL 12 1.511 -13.432 0.787
83 HG23 VAL 12 2HG2 VAL 12 2.144 -15.076 0.882
84 H LEU 13 HN LEU 13 3.741 -11.351 -1.960
85 HA LEU 13 HA LEU 13 4.821 -12.327 -4.527
86 HB2 LEU 13 2HB LEU 13 2.993 -11.235 -5.306
87 HB3 LEU 13 1HB LEU 13 2.791 -10.316 -3.828
88 HG LEU 13 HG LEU 13 4.574 -8.770 -4.509
89 HD11 LEU 13 1HD1 LEU 13 4.739 -9.528 -7.293
90 HD12 LEU 13 2HD1 LEU 13 5.239 -10.892 -6.299
91 HD13 LEU 13 3HD1 LEU 13 6.057 -9.338 -6.137
92 HD21 LEU 13 3HD2 LEU 13 2.413 -9.262 -6.572
93 HD22 LEU 13 1HD2 LEU 13 3.402 -7.803 -6.500
94 HD23 LEU 13 2HD2 LEU 13 2.323 -8.205 -5.166
95 H GLY 14 HN GLY 14 5.101 -9.823 -2.031
96 HA2 GLY 14 2HA GLY 14 7.432 -9.378 -1.309
97 HA3 GLY 14 1HA GLY 14 7.842 -9.269 -3.012
98 H ILE 15 HN ILE 15 4.873 -7.872 -2.835
99 HA ILE 15 HA ILE 15 5.779 -5.270 -1.871
100 HB ILE 15 HB ILE 15 4.993 -4.146 -3.959
101 HG12 ILE 15 2HG1 ILE 15 5.317 -6.723 -5.437
102 HG13 ILE 15 1HG1 ILE 15 3.783 -6.462 -4.607
103 HG21 ILE 15 1HG2 ILE 15 7.045 -4.506 -5.153
104 HG22 ILE 15 2HG2 ILE 15 7.213 -6.134 -4.496
105 HG23 ILE 15 3HG2 ILE 15 7.417 -4.734 -3.445
106 HD11 ILE 15 3HD1 ILE 15 4.142 -5.606 -7.095
107 HD12 ILE 15 1HD1 ILE 15 4.894 -4.237 -6.276
108 HD13 ILE 15 2HD1 ILE 15 3.213 -4.652 -5.937
109 H CYS 16 HN CYS 16 3.730 -3.676 -2.668
110 HA CYS 16 HA CYS 16 1.498 -4.849 -1.209
111 HB2 CYS 16 2HB CYS 16 1.786 -2.014 -2.206
112 HB3 CYS 16 1HB CYS 16 0.688 -2.618 -0.968
113 H THR 17 HN THR 17 -0.497 -5.136 -2.019
114 HA THR 17 HA THR 17 -0.874 -4.650 -4.914
115 HB THR 17 HB THR 17 -2.061 -6.789 -5.069
116 HG1 THR 17 1HG THR 17 -1.101 -7.438 -2.514
117 HG21 THR 17 3HG2 THR 17 0.231 -6.930 -5.651
118 HG22 THR 17 1HG2 THR 17 -0.041 -8.281 -4.550
119 HG23 THR 17 2HG2 THR 17 0.747 -6.814 -3.969
120 H ILE 18 HN ILE 18 -3.063 -4.338 -5.568
121 HA ILE 18 HA ILE 18 -4.557 -2.699 -3.907
122 HB ILE 18 HB ILE 18 -4.643 -2.931 -6.434
123 HG12 ILE 18 2HG1 ILE 18 -7.372 -2.997 -5.140
124 HG13 ILE 18 1HG1 ILE 18 -6.274 -1.647 -4.871
125 HG21 ILE 18 1HG2 ILE 18 -6.004 -4.599 -7.395
126 HG22 ILE 18 2HG2 ILE 18 -6.796 -4.957 -5.860
127 HG23 ILE 18 3HG2 ILE 18 -5.132 -5.473 -6.135
128 HD11 ILE 18 3HD1 ILE 18 -7.993 -2.068 -7.081
129 HD12 ILE 18 1HD1 ILE 18 -6.347 -2.223 -7.679
130 HD13 ILE 18 2HD1 ILE 18 -6.840 -0.756 -6.835
131 H THR 19 HN THR 19 -6.079 -3.036 -2.392
132 HA THR 19 HA THR 19 -6.632 -5.802 -1.634
133 HB THR 19 HB THR 19 -6.041 -4.592 0.260
134 HG1 THR 19 1HG THR 19 -8.288 -3.946 1.138
135 HG21 THR 19 3HG2 THR 19 -7.393 -2.348 -1.166
136 HG22 THR 19 1HG2 THR 19 -5.847 -2.374 -0.317
137 HG23 THR 19 2HG2 THR 19 -7.353 -2.287 0.597
138 H LEU 20 HN LEU 20 -8.869 -6.360 -0.943
139 HA LEU 20 HA LEU 20 -10.711 -5.945 -3.020
140 HB2 LEU 20 2HB LEU 20 -10.977 -7.082 -0.260
141 HB3 LEU 20 1HB LEU 20 -12.294 -7.060 -1.422
142 HG LEU 20 HG LEU 20 -9.577 -8.287 -1.942
143 HD11 LEU 20 1HD1 LEU 20 -12.224 -9.571 -1.291
144 HD12 LEU 20 2HD1 LEU 20 -10.853 -9.451 -0.193
145 HD13 LEU 20 3HD1 LEU 20 -10.726 -10.424 -1.658
146 HD21 LEU 20 3HD2 LEU 20 -10.335 -8.061 -4.089
147 HD22 LEU 20 1HD2 LEU 20 -12.005 -7.810 -3.582
148 HD23 LEU 20 2HD2 LEU 20 -11.350 -9.443 -3.679
149 H SER 21 HN SER 21 -10.082 -4.279 -0.065
150 HA SER 21 HA SER 21 -12.521 -2.999 0.422
151 HB2 SER 21 2HB SER 21 -9.694 -2.015 0.845
152 HB3 SER 21 1HB SER 21 -11.127 -1.215 1.482
153 HG SER 21 HG SER 21 -10.569 -3.955 1.930
154 H ARG 22 HN ARG 22 -9.955 -2.253 -1.886
155 HA ARG 22 HA ARG 22 -10.395 0.272 -2.694
156 HB2 ARG 22 2HB ARG 22 -8.924 -1.531 -3.786
157 HB3 ARG 22 1HB ARG 22 -10.345 -1.941 -4.735
158 HG2 ARG 22 2HG ARG 22 -9.114 -0.355 -6.045
159 HG3 ARG 22 1HG ARG 22 -10.497 0.509 -5.389
160 HD2 ARG 22 2HD ARG 22 -8.024 0.547 -3.737
161 HD3 ARG 22 1HD ARG 22 -7.970 1.448 -5.246
162 HE ARG 22 HE ARG 22 -10.366 2.025 -3.806
163 HH11 ARG 22 1HH2 ARG 22 -6.956 2.606 -3.912
164 HH12 ARG 22 2HH2 ARG 22 -7.054 4.148 -3.129
165 HH21 ARG 22 1HH1 ARG 22 -10.502 4.044 -2.774
166 HH22 ARG 22 2HH1 ARG 22 -9.062 4.961 -2.485
167 H ILE 23 HN ILE 23 -12.626 -2.399 -3.074
168 HA ILE 23 HA ILE 23 -14.620 -0.494 -4.122
169 HB ILE 23 HB ILE 23 -14.435 -3.392 -4.952
170 HG12 ILE 23 2HG1 ILE 23 -13.609 -0.955 -6.552
171 HG13 ILE 23 1HG1 ILE 23 -12.458 -1.971 -5.697
172 HG21 ILE 23 1HG2 ILE 23 -16.381 -2.979 -6.022
173 HG22 ILE 23 2HG2 ILE 23 -15.759 -1.473 -6.696
174 HG23 ILE 23 3HG2 ILE 23 -16.477 -1.487 -5.085
175 HD11 ILE 23 3HD1 ILE 23 -13.252 -2.405 -8.270
176 HD12 ILE 23 1HD1 ILE 23 -14.353 -3.458 -7.382
177 HD13 ILE 23 2HD1 ILE 23 -12.609 -3.650 -7.197
178 H GLU 24 HN GLU 24 -14.882 -0.531 -1.648
179 HA GLU 24 HA GLU 24 -17.078 -2.370 -1.037
180 HB2 GLU 24 2HB GLU 24 -14.613 -2.057 0.678
181 HB3 GLU 24 1HB GLU 24 -16.116 -2.785 1.244
182 HG2 GLU 24 2HG GLU 24 -15.983 -4.436 -0.607
183 HG3 GLU 24 1HG GLU 24 -14.441 -3.742 -1.087
184 H HIS 25 HN HIS 25 -16.747 0.526 -1.607
185 HA HIS 25 HA HIS 25 -18.322 1.494 0.631
186 HB2 HIS 25 2HB HIS 25 -16.569 3.569 0.520
187 HB3 HIS 25 1HB HIS 25 -16.473 2.259 1.692
188 HD2 HIS 25 2HD HIS 25 -14.127 0.785 1.524
189 HE1 HIS 25 1HE HIS 25 -12.899 2.085 -2.295
190 HE2 HIS 25 2HE HIS 25 -12.226 0.728 -0.259
191 HA PRO 26 HA PRO 26 -19.126 3.198 -3.702
192 HB2 PRO 26 2HB PRO 26 -21.697 2.254 -3.909
193 HB3 PRO 26 1HB PRO 26 -20.272 1.367 -4.483
194 HG2 PRO 26 2HG PRO 26 -21.824 1.029 -1.965
195 HG3 PRO 26 1HG PRO 26 -21.118 -0.198 -3.030
196 HD2 PRO 26 2HD PRO 26 -19.944 0.545 -0.692
197 HD3 PRO 26 1HD PRO 26 -19.001 0.013 -2.103
198 H GLY 27 HN GLY 27 -20.835 3.126 -0.664
199 HA2 GLY 27 2HA GLY 27 -22.745 5.147 -1.116
200 HA3 GLY 27 1HA GLY 27 -22.100 4.687 0.456
201 H ASN 28 HN ASN 28 -19.322 5.281 -0.655
202 HA ASN 28 HA ASN 28 -19.034 7.867 0.398
203 HB2 ASN 28 2HB ASN 28 -17.173 6.274 0.245
204 HB3 ASN 28 1HB ASN 28 -17.217 6.387 -1.512
205 HD21 ASN 28 1HD2 ASN 28 -14.811 7.100 -0.612
206 HD22 ASN 28 2HD2 ASN 28 -14.614 8.784 -0.525
207 H TYR 29 HN TYR 29 -19.379 6.722 -2.929
208 HA TYR 29 HA TYR 29 -19.750 9.529 -3.784
209 HB2 TYR 29 2HB TYR 29 -19.092 8.379 -6.116
210 HB3 TYR 29 1HB TYR 29 -17.891 9.020 -5.007
211 HD1 TYR 29 2HD TYR 29 -16.630 7.539 -3.493
212 HD2 TYR 29 1HD TYR 29 -19.318 5.959 -6.449
213 HE1 TYR 29 2HE TYR 29 -15.608 5.295 -3.229
214 HE2 TYR 29 1HE TYR 29 -18.300 3.721 -6.183
215 HH TYR 29 HH TYR 29 -16.131 2.770 -5.419
216 H ASP 30 HN ASP 30 -20.362 7.179 -6.140
217 HA ASP 30 HA ASP 30 -23.215 6.987 -5.515
218 HB2 ASP 30 2HB ASP 30 -22.951 9.012 -6.918
219 HB3 ASP 30 1HB ASP 30 -22.157 8.034 -8.152
220 H TYR 31 HN TYR 31 -23.415 4.820 -5.441
221 HA TYR 31 HA TYR 31 -23.088 2.587 -5.971
222 HB2 TYR 31 2HB TYR 31 -24.887 3.106 -7.473
223 HB3 TYR 31 1HB TYR 31 -23.784 3.861 -8.624
224 HD1 TYR 31 1HD TYR 31 -24.632 0.617 -6.990
225 HD2 TYR 31 2HD TYR 31 -22.661 2.572 -10.268
226 HE1 TYR 31 1HE TYR 31 -24.265 -1.581 -8.080
227 HE2 TYR 31 2HE TYR 31 -22.294 0.375 -11.358
228 HH TYR 31 HH TYR 31 -22.964 -1.818 -11.340
Start of MODEL 16
1 H1 PCA 1 HN PCA 1 7.419 -2.450 5.750
2 HA PCA 1 HA PCA 1 7.557 -2.414 3.145
3 HB2 PCA 1 2HB PCA 1 5.161 -3.949 2.688
4 HB3 PCA 1 1HB PCA 1 6.846 -4.402 2.283
5 HG2 PCA 1 1HG PCA 1 6.835 -5.916 3.980
6 HG3 PCA 1 2HG PCA 1 5.181 -5.407 4.448
7 H TRP 2 HN TRP 2 7.007 -0.317 3.401
8 HA TRP 2 HA TRP 2 4.455 0.520 4.283
9 HB2 TRP 2 2HB TRP 2 6.455 1.991 4.184
10 HB3 TRP 2 1HB TRP 2 6.353 1.969 2.422
11 HD1 TRP 2 HD TRP 2 4.607 3.326 5.519
12 HE1 TRP 2 1HE TRP 2 2.905 5.124 4.800
13 HE3 TRP 2 3HE TRP 2 4.815 2.761 0.449
14 HZ2 TRP 2 2HZ TRP 2 1.780 6.184 2.393
15 HZ3 TRP 2 3HZ TRP 2 3.420 4.177 -1.033
16 HH2 TRP 2 HH TRP 2 1.904 5.885 -0.067
17 H CYS 3 HN CYS 3 2.543 0.702 3.267
18 HA CYS 3 HA CYS 3 2.464 0.178 0.352
19 HB2 CYS 3 2HB CYS 3 0.459 -0.627 2.470
20 HB3 CYS 3 1HB CYS 3 0.260 -0.870 0.735
21 H GLN 4 HN GLN 4 0.853 1.262 -0.859
22 HA GLN 4 HA GLN 4 0.212 3.862 0.224
23 HB2 GLN 4 2HB GLN 4 -0.841 3.467 -2.406
24 HB3 GLN 4 1HB GLN 4 0.478 4.523 -1.902
25 HG2 GLN 4 2HG GLN 4 2.018 2.547 -1.984
26 HG3 GLN 4 1HG GLN 4 0.684 1.583 -2.617
27 HE21 GLN 4 1HE2 GLN 4 1.040 1.322 -4.826
28 HE22 GLN 4 2HE2 GLN 4 1.514 2.563 -5.884
29 HA PRO 5 HA PRO 5 -4.106 3.356 1.025
30 HB2 PRO 5 2HB PRO 5 -4.874 5.272 -1.105
31 HB3 PRO 5 1HB PRO 5 -5.175 5.342 0.640
32 HG2 PRO 5 2HG PRO 5 -3.387 6.908 -0.571
33 HG3 PRO 5 1HG PRO 5 -3.174 6.333 1.088
34 HD2 PRO 5 2HD PRO 5 -1.796 5.453 -1.412
35 HD3 PRO 5 1HD PRO 5 -1.212 5.512 0.262
36 H GLY 6 HN GLY 6 -5.679 1.970 0.391
37 HA2 GLY 6 2HA GLY 6 -7.096 0.766 -1.017
38 HA3 GLY 6 1HA GLY 6 -6.344 1.555 -2.397
39 H TYR 7 HN TYR 7 -3.856 0.468 -0.545
40 HA TYR 7 HA TYR 7 -3.754 -2.156 -1.901
41 HB2 TYR 7 2HB TYR 7 -1.628 -0.079 -1.579
42 HB3 TYR 7 1HB TYR 7 -1.206 -1.753 -1.830
43 HD1 TYR 7 1HD TYR 7 -3.453 0.897 -3.253
44 HD2 TYR 7 2HD TYR 7 -1.013 -2.556 -3.996
45 HE1 TYR 7 1HE TYR 7 -3.872 1.126 -5.687
46 HE2 TYR 7 2HE TYR 7 -1.443 -2.337 -6.431
47 HH TYR 7 HH TYR 7 -2.299 -1.035 -8.033
48 H ALA 8 HN ALA 8 -2.260 -3.682 -0.865
49 HA ALA 8 HA ALA 8 -1.830 -3.244 1.999
50 HB1 ALA 8 1HB ALA 8 -3.447 -4.638 2.667
51 HB2 ALA 8 2HB ALA 8 -2.789 -5.921 1.653
52 HB3 ALA 8 3HB ALA 8 -3.975 -4.800 0.995
53 H TYR 9 HN TYR 9 0.016 -4.144 2.717
54 HA TYR 9 HA TYR 9 2.019 -4.945 1.047
55 HB2 TYR 9 2HB TYR 9 2.579 -4.378 3.284
56 HB3 TYR 9 1HB TYR 9 1.535 -5.644 3.928
57 HD1 TYR 9 1HD TYR 9 4.006 -5.785 1.089
58 HD2 TYR 9 2HD TYR 9 2.951 -7.144 5.029
59 HE1 TYR 9 1HE TYR 9 5.882 -7.377 1.035
60 HE2 TYR 9 2HE TYR 9 4.839 -8.748 4.977
61 HH TYR 9 HH TYR 9 7.048 -8.890 2.177
62 H ASN 10 HN ASN 10 2.658 -6.775 0.060
63 HA ASN 10 HA ASN 10 1.013 -9.178 0.495
64 HB2 ASN 10 2HB ASN 10 1.051 -7.776 -1.762
65 HB3 ASN 10 1HB ASN 10 2.403 -8.842 -2.077
66 HD21 ASN 10 1HD2 ASN 10 1.972 -11.152 -2.240
67 HD22 ASN 10 2HD2 ASN 10 0.393 -11.748 -2.386
68 HA PRO 11 HA PRO 11 5.315 -10.464 1.544
69 HB2 PRO 11 2HB PRO 11 4.599 -12.412 3.348
70 HB3 PRO 11 1HB PRO 11 4.773 -10.704 3.765
71 HG2 PRO 11 2HG PRO 11 2.336 -12.292 3.323
72 HG3 PRO 11 1HG PRO 11 2.603 -10.921 4.396
73 HD2 PRO 11 2HD PRO 11 1.284 -10.814 1.961
74 HD3 PRO 11 1HD PRO 11 1.975 -9.410 2.788
75 H VAL 12 HN VAL 12 2.857 -11.856 -0.158
76 HA VAL 12 HA VAL 12 4.247 -14.432 -0.523
77 HB VAL 12 HB VAL 12 1.535 -13.592 -1.575
78 HG11 VAL 12 1HG1 VAL 12 2.990 -16.239 -1.348
79 HG12 VAL 12 2HG1 VAL 12 2.492 -15.421 -2.830
80 HG13 VAL 12 3HG1 VAL 12 1.277 -16.097 -1.744
81 HG21 VAL 12 3HG2 VAL 12 0.599 -14.871 0.291
82 HG22 VAL 12 1HG2 VAL 12 1.635 -13.590 0.920
83 HG23 VAL 12 2HG2 VAL 12 2.219 -15.253 0.872
84 H LEU 13 HN LEU 13 3.705 -11.380 -1.939
85 HA LEU 13 HA LEU 13 4.682 -12.351 -4.539
86 HB2 LEU 13 2HB LEU 13 2.859 -11.216 -5.258
87 HB3 LEU 13 1HB LEU 13 2.715 -10.301 -3.770
88 HG LEU 13 HG LEU 13 4.535 -8.803 -4.484
89 HD11 LEU 13 1HD1 LEU 13 4.571 -9.553 -7.285
90 HD12 LEU 13 2HD1 LEU 13 5.079 -10.921 -6.306
91 HD13 LEU 13 3HD1 LEU 13 5.939 -9.392 -6.183
92 HD21 LEU 13 3HD2 LEU 13 2.292 -8.150 -5.053
93 HD22 LEU 13 1HD2 LEU 13 2.301 -9.162 -6.495
94 HD23 LEU 13 2HD2 LEU 13 3.352 -7.746 -6.396
95 H GLY 14 HN GLY 14 5.080 -9.824 -2.074
96 HA2 GLY 14 2HA GLY 14 7.452 -9.412 -1.430
97 HA3 GLY 14 1HA GLY 14 7.792 -9.300 -3.147
98 H ILE 15 HN ILE 15 4.815 -7.880 -2.722
99 HA ILE 15 HA ILE 15 5.755 -5.292 -1.791
100 HB ILE 15 HB ILE 15 4.985 -4.143 -3.867
101 HG12 ILE 15 2HG1 ILE 15 5.231 -6.730 -5.363
102 HG13 ILE 15 1HG1 ILE 15 3.714 -6.417 -4.531
103 HG21 ILE 15 1HG2 ILE 15 7.150 -6.159 -4.499
104 HG22 ILE 15 2HG2 ILE 15 7.408 -4.829 -3.371
105 HG23 ILE 15 3HG2 ILE 15 7.021 -4.491 -5.059
106 HD11 ILE 15 3HD1 ILE 15 4.070 -5.584 -7.004
107 HD12 ILE 15 1HD1 ILE 15 4.898 -4.245 -6.208
108 HD13 ILE 15 2HD1 ILE 15 3.207 -4.583 -5.835
109 H CYS 16 HN CYS 16 3.709 -3.697 -2.558
110 HA CYS 16 HA CYS 16 1.455 -4.864 -1.127
111 HB2 CYS 16 2HB CYS 16 1.716 -2.039 -2.151
112 HB3 CYS 16 1HB CYS 16 0.663 -2.640 -0.872
113 H THR 17 HN THR 17 -0.536 -5.167 -1.952
114 HA THR 17 HA THR 17 -0.898 -4.690 -4.854
115 HB THR 17 HB THR 17 -2.141 -6.815 -4.987
116 HG1 THR 17 1HG THR 17 -1.102 -7.660 -2.568
117 HG21 THR 17 3HG2 THR 17 -0.166 -7.663 -5.609
118 HG22 THR 17 1HG2 THR 17 0.218 -8.001 -3.922
119 HG23 THR 17 2HG2 THR 17 0.664 -6.452 -4.635
120 H ILE 18 HN ILE 18 -3.071 -4.357 -5.549
121 HA ILE 18 HA ILE 18 -4.586 -2.717 -3.912
122 HB ILE 18 HB ILE 18 -4.648 -2.984 -6.471
123 HG12 ILE 18 2HG1 ILE 18 -7.405 -2.922 -5.274
124 HG13 ILE 18 1HG1 ILE 18 -6.259 -1.651 -4.867
125 HG21 ILE 18 1HG2 ILE 18 -6.846 -4.945 -5.822
126 HG22 ILE 18 2HG2 ILE 18 -5.203 -5.488 -6.167
127 HG23 ILE 18 3HG2 ILE 18 -6.112 -4.598 -7.388
128 HD11 ILE 18 3HD1 ILE 18 -7.043 -2.444 -7.671
129 HD12 ILE 18 1HD1 ILE 18 -5.921 -1.158 -7.226
130 HD13 ILE 18 2HD1 ILE 18 -7.626 -1.024 -6.804
131 H THR 19 HN THR 19 -6.103 -3.058 -2.404
132 HA THR 19 HA THR 19 -6.679 -5.819 -1.659
133 HB THR 19 HB THR 19 -6.176 -4.612 0.250
134 HG1 THR 19 1HG THR 19 -7.998 -5.373 0.978
135 HG21 THR 19 3HG2 THR 19 -5.930 -2.414 -0.490
136 HG22 THR 19 1HG2 THR 19 -7.321 -2.291 0.585
137 HG23 THR 19 2HG2 THR 19 -7.560 -2.356 -1.161
138 H LEU 20 HN LEU 20 -8.917 -6.452 -1.113
139 HA LEU 20 HA LEU 20 -10.700 -5.914 -3.243
140 HB2 LEU 20 2HB LEU 20 -10.885 -7.422 -0.649
141 HB3 LEU 20 1HB LEU 20 -12.318 -7.168 -1.628
142 HG LEU 20 HG LEU 20 -11.133 -9.338 -2.127
143 HD11 LEU 20 1HD1 LEU 20 -11.817 -9.220 -4.298
144 HD12 LEU 20 2HD1 LEU 20 -10.758 -7.854 -4.649
145 HD13 LEU 20 3HD1 LEU 20 -12.319 -7.583 -3.885
146 HD21 LEU 20 3HD2 LEU 20 -9.019 -7.596 -3.405
147 HD22 LEU 20 1HD2 LEU 20 -8.973 -9.337 -3.125
148 HD23 LEU 20 2HD2 LEU 20 -8.843 -8.221 -1.766
149 H SER 21 HN SER 21 -10.115 -4.361 -0.249
150 HA SER 21 HA SER 21 -12.648 -3.258 0.299
151 HB2 SER 21 2HB SER 21 -11.449 -1.636 1.666
152 HB3 SER 21 1HB SER 21 -10.759 -3.239 1.900
153 HG SER 21 HG SER 21 -9.782 -1.332 0.040
154 H ARG 22 HN ARG 22 -10.298 -2.558 -2.111
155 HA ARG 22 HA ARG 22 -10.840 0.138 -2.651
156 HB2 ARG 22 2HB ARG 22 -8.947 -1.067 -3.655
157 HB3 ARG 22 1HB ARG 22 -10.067 -2.058 -4.589
158 HG2 ARG 22 2HG ARG 22 -10.561 0.822 -4.872
159 HG3 ARG 22 1HG ARG 22 -8.969 0.329 -5.446
160 HD2 ARG 22 2HD ARG 22 -9.992 -1.399 -6.857
161 HD3 ARG 22 1HD ARG 22 -11.589 -0.967 -6.257
162 HE ARG 22 HE ARG 22 -10.452 1.361 -7.306
163 HH11 ARG 22 1HH2 ARG 22 -11.422 -1.795 -8.343
164 HH12 ARG 22 2HH2 ARG 22 -11.816 -1.296 -9.953
165 HH21 ARG 22 1HH1 ARG 22 -10.967 2.023 -9.417
166 HH22 ARG 22 2HH1 ARG 22 -11.559 0.865 -10.561
167 H ILE 23 HN ILE 23 -12.493 -2.820 -3.619
168 HA ILE 23 HA ILE 23 -14.184 -1.705 -5.588
169 HB ILE 23 HB ILE 23 -14.741 -4.027 -3.731
170 HG12 ILE 23 2HG1 ILE 23 -13.565 -4.013 -6.530
171 HG13 ILE 23 1HG1 ILE 23 -12.601 -4.157 -5.059
172 HG21 ILE 23 1HG2 ILE 23 -15.879 -4.425 -6.273
173 HG22 ILE 23 2HG2 ILE 23 -16.264 -2.756 -5.854
174 HG23 ILE 23 3HG2 ILE 23 -16.743 -4.068 -4.778
175 HD11 ILE 23 3HD1 ILE 23 -14.087 -6.147 -4.448
176 HD12 ILE 23 1HD1 ILE 23 -12.981 -6.396 -5.798
177 HD13 ILE 23 2HD1 ILE 23 -14.688 -6.080 -6.104
178 H GLU 24 HN GLU 24 -16.228 -3.088 -3.308
179 HA GLU 24 HA GLU 24 -17.238 -0.431 -2.460
180 HB2 GLU 24 2HB GLU 24 -18.713 -2.937 -3.236
181 HB3 GLU 24 1HB GLU 24 -19.478 -1.570 -2.422
182 HG2 GLU 24 2HG GLU 24 -18.870 -0.072 -4.240
183 HG3 GLU 24 1HG GLU 24 -17.961 -1.355 -5.036
184 H HIS 25 HN HIS 25 -16.700 -0.215 -0.359
185 HA HIS 25 HA HIS 25 -17.736 -2.111 1.511
186 HB2 HIS 25 2HB HIS 25 -14.754 -1.630 1.431
187 HB3 HIS 25 1HB HIS 25 -15.613 -2.634 2.591
188 HD2 HIS 25 2HD HIS 25 -14.644 -2.730 -1.240
189 HE1 HIS 25 1HE HIS 25 -16.005 -6.557 -0.117
190 HE2 HIS 25 2HE HIS 25 -14.933 -5.214 -1.981
191 HA PRO 26 HA PRO 26 -18.090 1.689 3.798
192 HB2 PRO 26 2HB PRO 26 -18.345 0.704 6.342
193 HB3 PRO 26 1HB PRO 26 -19.650 0.671 5.140
194 HG2 PRO 26 2HG PRO 26 -17.788 -1.491 5.976
195 HG3 PRO 26 1HG PRO 26 -19.515 -1.571 5.588
196 HD2 PRO 26 2HD PRO 26 -17.574 -2.346 3.831
197 HD3 PRO 26 1HD PRO 26 -19.137 -1.684 3.306
198 H GLY 27 HN GLY 27 -15.753 -0.708 4.871
199 HA2 GLY 27 2HA GLY 27 -14.268 1.056 6.568
200 HA3 GLY 27 1HA GLY 27 -13.740 -0.520 5.984
201 H ASN 28 HN ASN 28 -14.500 0.690 3.190
202 HA ASN 28 HA ASN 28 -11.804 1.622 2.630
203 HB2 ASN 28 2HB ASN 28 -13.103 -0.035 1.200
204 HB3 ASN 28 1HB ASN 28 -14.049 1.342 0.653
205 HD21 ASN 28 1HD2 ASN 28 -13.181 1.226 -1.538
206 HD22 ASN 28 2HD2 ASN 28 -11.573 1.652 -1.874
207 H TYR 29 HN TYR 29 -15.122 2.793 2.222
208 HA TYR 29 HA TYR 29 -14.308 5.504 2.708
209 HB2 TYR 29 2HB TYR 29 -15.126 6.404 0.535
210 HB3 TYR 29 1HB TYR 29 -13.663 5.428 0.386
211 HD1 TYR 29 2HD TYR 29 -17.297 5.540 -0.183
212 HD2 TYR 29 1HD TYR 29 -13.707 3.238 -0.626
213 HE1 TYR 29 2HE TYR 29 -18.483 3.990 -1.711
214 HE2 TYR 29 1HE TYR 29 -14.890 1.681 -2.149
215 HH TYR 29 HH TYR 29 -17.460 2.288 -3.755
216 H ASP 30 HN ASP 30 -16.777 3.263 1.787
217 HA ASP 30 HA ASP 30 -19.022 3.150 2.311
218 HB2 ASP 30 2HB ASP 30 -17.933 3.837 4.608
219 HB3 ASP 30 1HB ASP 30 -18.696 5.386 4.288
220 H TYR 31 HN TYR 31 -19.179 4.141 0.103
221 HA TYR 31 HA TYR 31 -20.128 5.635 -1.363
222 HB2 TYR 31 2HB TYR 31 -22.149 5.125 -0.119
223 HB3 TYR 31 1HB TYR 31 -21.717 6.295 1.129
224 HD1 TYR 31 1HD TYR 31 -22.509 5.968 -2.504
225 HD2 TYR 31 2HD TYR 31 -22.271 8.586 0.894
226 HE1 TYR 31 1HE TYR 31 -23.601 7.769 -3.813
227 HE2 TYR 31 2HE TYR 31 -23.361 10.386 -0.416
228 HH TYR 31 HH TYR 31 -24.639 9.785 -3.653
Start of MODEL 17
1 H1 PCA 1 HN PCA 1 7.474 -2.331 5.790
2 HA PCA 1 HA PCA 1 7.401 -2.589 3.180
3 HB2 PCA 1 2HB PCA 1 4.921 -4.088 3.163
4 HB3 PCA 1 1HB PCA 1 6.531 -4.609 2.575
5 HG2 PCA 1 1HG PCA 1 6.775 -5.946 4.399
6 HG3 PCA 1 2HG PCA 1 5.173 -5.417 5.006
7 H TRP 2 HN TRP 2 6.944 -0.432 3.387
8 HA TRP 2 HA TRP 2 4.403 0.474 4.295
9 HB2 TRP 2 2HB TRP 2 6.422 1.909 4.222
10 HB3 TRP 2 1HB TRP 2 6.370 1.862 2.460
11 HD1 TRP 2 HD TRP 2 4.575 3.312 5.486
12 HE1 TRP 2 1HE TRP 2 2.929 5.130 4.691
13 HE3 TRP 2 3HE TRP 2 4.894 2.644 0.434
14 HZ2 TRP 2 2HZ TRP 2 1.885 6.165 2.237
15 HZ3 TRP 2 3HZ TRP 2 3.565 4.058 -1.108
16 HH2 TRP 2 HH TRP 2 2.063 5.815 -0.214
17 H CYS 3 HN CYS 3 2.502 0.636 3.264
18 HA CYS 3 HA CYS 3 2.454 0.148 0.344
19 HB2 CYS 3 2HB CYS 3 0.432 -0.688 2.430
20 HB3 CYS 3 1HB CYS 3 0.245 -0.903 0.689
21 H GLN 4 HN GLN 4 0.880 1.262 -0.878
22 HA GLN 4 HA GLN 4 0.220 3.850 0.218
23 HB2 GLN 4 2HB GLN 4 -0.860 3.452 -2.406
24 HB3 GLN 4 1HB GLN 4 0.461 4.511 -1.914
25 HG2 GLN 4 2HG GLN 4 2.006 2.551 -2.014
26 HG3 GLN 4 1HG GLN 4 0.673 1.572 -2.629
27 HE21 GLN 4 1HE2 GLN 4 1.059 1.287 -4.830
28 HE22 GLN 4 2HE2 GLN 4 1.484 2.531 -5.904
29 HA PRO 5 HA PRO 5 -4.093 3.362 1.048
30 HB2 PRO 5 2HB PRO 5 -4.876 5.272 -1.080
31 HB3 PRO 5 1HB PRO 5 -5.145 5.362 0.669
32 HG2 PRO 5 2HG PRO 5 -3.365 6.904 -0.605
33 HG3 PRO 5 1HG PRO 5 -3.144 6.366 1.066
34 HD2 PRO 5 2HD PRO 5 -1.781 5.433 -1.419
35 HD3 PRO 5 1HD PRO 5 -1.194 5.502 0.255
36 H GLY 6 HN GLY 6 -5.685 1.983 0.430
37 HA2 GLY 6 2HA GLY 6 -7.113 0.769 -0.958
38 HA3 GLY 6 1HA GLY 6 -6.382 1.566 -2.347
39 H TYR 7 HN TYR 7 -3.860 0.490 -0.552
40 HA TYR 7 HA TYR 7 -3.771 -2.125 -1.929
41 HB2 TYR 7 2HB TYR 7 -1.656 -0.034 -1.617
42 HB3 TYR 7 1HB TYR 7 -1.211 -1.704 -1.860
43 HD1 TYR 7 2HD TYR 7 -3.508 0.906 -3.276
44 HD2 TYR 7 1HD TYR 7 -1.011 -2.503 -4.027
45 HE1 TYR 7 2HE TYR 7 -3.943 1.126 -5.708
46 HE2 TYR 7 1HE TYR 7 -1.450 -2.290 -6.463
47 HH TYR 7 HH TYR 7 -3.812 -0.857 -7.784
48 H ALA 8 HN ALA 8 -2.203 -3.636 -0.902
49 HA ALA 8 HA ALA 8 -1.760 -3.205 1.954
50 HB1 ALA 8 1HB ALA 8 -4.014 -4.571 1.167
51 HB2 ALA 8 2HB ALA 8 -3.210 -4.754 2.725
52 HB3 ALA 8 3HB ALA 8 -2.851 -5.873 1.409
53 H TYR 9 HN TYR 9 0.056 -4.179 2.678
54 HA TYR 9 HA TYR 9 2.028 -4.988 0.967
55 HB2 TYR 9 2HB TYR 9 2.553 -4.395 3.249
56 HB3 TYR 9 1HB TYR 9 1.642 -5.780 3.846
57 HD1 TYR 9 2HD TYR 9 4.058 -5.550 0.961
58 HD2 TYR 9 1HD TYR 9 3.229 -7.208 4.840
59 HE1 TYR 9 2HE TYR 9 6.067 -6.967 0.781
60 HE2 TYR 9 1HE TYR 9 5.251 -8.635 4.655
61 HH TYR 9 HH TYR 9 7.316 -8.745 3.474
62 H ASN 10 HN ASN 10 2.665 -6.849 0.016
63 HA ASN 10 HA ASN 10 0.968 -9.226 0.469
64 HB2 ASN 10 2HB ASN 10 1.014 -7.838 -1.806
65 HB3 ASN 10 1HB ASN 10 2.381 -8.890 -2.097
66 HD21 ASN 10 1HD2 ASN 10 1.975 -11.169 -2.367
67 HD22 ASN 10 2HD2 ASN 10 0.409 -11.805 -2.476
68 HA PRO 11 HA PRO 11 5.275 -10.437 1.674
69 HB2 PRO 11 2HB PRO 11 3.966 -12.463 3.301
70 HB3 PRO 11 1HB PRO 11 5.000 -11.124 3.808
71 HG2 PRO 11 2HG PRO 11 2.307 -11.291 4.283
72 HG3 PRO 11 1HG PRO 11 3.239 -9.792 4.262
73 HD2 PRO 11 2HD PRO 11 1.374 -10.869 2.220
74 HD3 PRO 11 1HD PRO 11 1.813 -9.192 2.580
75 H VAL 12 HN VAL 12 2.858 -11.799 -0.141
76 HA VAL 12 HA VAL 12 4.247 -14.383 -0.479
77 HB VAL 12 HB VAL 12 1.543 -13.569 -1.562
78 HG11 VAL 12 1HG1 VAL 12 2.511 -15.434 -2.757
79 HG12 VAL 12 2HG1 VAL 12 1.292 -16.082 -1.659
80 HG13 VAL 12 3HG1 VAL 12 3.003 -16.207 -1.250
81 HG21 VAL 12 3HG2 VAL 12 2.236 -15.114 0.957
82 HG22 VAL 12 1HG2 VAL 12 0.610 -14.850 0.330
83 HG23 VAL 12 2HG2 VAL 12 1.562 -13.484 0.913
84 H LEU 13 HN LEU 13 3.697 -11.348 -1.928
85 HA LEU 13 HA LEU 13 4.689 -12.351 -4.513
86 HB2 LEU 13 2HB LEU 13 2.847 -11.233 -5.271
87 HB3 LEU 13 1HB LEU 13 2.697 -10.294 -3.802
88 HG LEU 13 HG LEU 13 4.520 -8.815 -4.533
89 HD11 LEU 13 1HD1 LEU 13 4.555 -9.623 -7.334
90 HD12 LEU 13 2HD1 LEU 13 5.068 -10.958 -6.317
91 HD13 LEU 13 3HD1 LEU 13 5.918 -9.421 -6.233
92 HD21 LEU 13 3HD2 LEU 13 2.289 -8.132 -5.121
93 HD22 LEU 13 1HD2 LEU 13 2.272 -9.193 -6.528
94 HD23 LEU 13 2HD2 LEU 13 3.343 -7.794 -6.491
95 H GLY 14 HN GLY 14 5.069 -9.839 -2.036
96 HA2 GLY 14 2HA GLY 14 7.416 -9.413 -1.375
97 HA3 GLY 14 1HA GLY 14 7.790 -9.307 -3.091
98 H ILE 15 HN ILE 15 4.836 -7.889 -2.794
99 HA ILE 15 HA ILE 15 5.743 -5.276 -1.858
100 HB ILE 15 HB ILE 15 5.001 -4.151 -3.953
101 HG12 ILE 15 2HG1 ILE 15 5.225 -6.753 -5.415
102 HG13 ILE 15 1HG1 ILE 15 3.716 -6.423 -4.578
103 HG21 ILE 15 1HG2 ILE 15 7.149 -6.206 -4.524
104 HG22 ILE 15 2HG2 ILE 15 7.409 -4.833 -3.448
105 HG23 ILE 15 3HG2 ILE 15 7.033 -4.561 -5.150
106 HD11 ILE 15 3HD1 ILE 15 3.193 -4.616 -5.914
107 HD12 ILE 15 1HD1 ILE 15 4.073 -5.616 -7.072
108 HD13 ILE 15 2HD1 ILE 15 4.884 -4.266 -6.282
109 H CYS 16 HN CYS 16 3.706 -3.684 -2.630
110 HA CYS 16 HA CYS 16 1.461 -4.850 -1.198
111 HB2 CYS 16 2HB CYS 16 1.751 -2.029 -2.216
112 HB3 CYS 16 1HB CYS 16 0.671 -2.619 -0.954
113 H THR 17 HN THR 17 -0.541 -5.111 -2.012
114 HA THR 17 HA THR 17 -0.910 -4.606 -4.906
115 HB THR 17 HB THR 17 -2.135 -6.735 -5.084
116 HG1 THR 17 1HG THR 17 -1.092 -7.573 -2.650
117 HG21 THR 17 3HG2 THR 17 0.260 -7.886 -4.001
118 HG22 THR 17 1HG2 THR 17 0.655 -6.362 -4.792
119 HG23 THR 17 2HG2 THR 17 -0.172 -7.634 -5.690
120 H ILE 18 HN ILE 18 -3.108 -4.301 -5.573
121 HA ILE 18 HA ILE 18 -4.607 -2.673 -3.910
122 HB ILE 18 HB ILE 18 -4.711 -2.876 -6.426
123 HG12 ILE 18 2HG1 ILE 18 -7.449 -3.063 -5.181
124 HG13 ILE 18 1HG1 ILE 18 -6.395 -1.704 -4.808
125 HG21 ILE 18 1HG2 ILE 18 -5.093 -5.431 -6.188
126 HG22 ILE 18 2HG2 ILE 18 -6.032 -4.569 -7.407
127 HG23 ILE 18 3HG2 ILE 18 -6.774 -5.003 -5.866
128 HD11 ILE 18 3HD1 ILE 18 -8.067 -1.932 -7.025
129 HD12 ILE 18 1HD1 ILE 18 -6.455 -2.232 -7.659
130 HD13 ILE 18 2HD1 ILE 18 -6.790 -0.740 -6.785
131 H THR 19 HN THR 19 -6.062 -3.033 -2.364
132 HA THR 19 HA THR 19 -6.602 -5.778 -1.584
133 HB THR 19 HB THR 19 -6.144 -4.516 0.302
134 HG1 THR 19 1HG THR 19 -8.923 -4.077 0.095
135 HG21 THR 19 3HG2 THR 19 -7.498 -2.214 0.502
136 HG22 THR 19 1HG2 THR 19 -7.437 -2.333 -1.256
137 HG23 THR 19 2HG2 THR 19 -5.942 -2.313 -0.318
138 H LEU 20 HN LEU 20 -8.804 -6.483 -1.057
139 HA LEU 20 HA LEU 20 -10.599 -6.096 -3.169
140 HB2 LEU 20 2HB LEU 20 -10.904 -7.306 -0.449
141 HB3 LEU 20 1HB LEU 20 -12.185 -7.299 -1.647
142 HG LEU 20 HG LEU 20 -9.414 -8.419 -2.136
143 HD11 LEU 20 1HD1 LEU 20 -12.029 -9.737 -1.453
144 HD12 LEU 20 2HD1 LEU 20 -10.539 -9.776 -0.513
145 HD13 LEU 20 3HD1 LEU 20 -10.624 -10.601 -2.069
146 HD21 LEU 20 3HD2 LEU 20 -10.129 -8.131 -4.289
147 HD22 LEU 20 1HD2 LEU 20 -11.817 -7.963 -3.815
148 HD23 LEU 20 2HD2 LEU 20 -11.103 -9.565 -3.969
149 H SER 21 HN SER 21 -10.175 -4.486 -0.143
150 HA SER 21 HA SER 21 -12.697 -3.335 0.223
151 HB2 SER 21 2HB SER 21 -10.896 -3.207 1.901
152 HB3 SER 21 1HB SER 21 -9.987 -2.129 0.846
153 HG SER 21 HG SER 21 -12.549 -1.680 1.988
154 H ARG 22 HN ARG 22 -9.999 -2.369 -1.840
155 HA ARG 22 HA ARG 22 -10.619 0.175 -2.586
156 HB2 ARG 22 2HB ARG 22 -8.772 -1.335 -3.499
157 HB3 ARG 22 1HB ARG 22 -9.969 -1.940 -4.642
158 HG2 ARG 22 2HG ARG 22 -9.103 -0.194 -5.892
159 HG3 ARG 22 1HG ARG 22 -10.380 0.667 -5.038
160 HD2 ARG 22 2HD ARG 22 -8.763 1.370 -3.317
161 HD3 ARG 22 1HD ARG 22 -7.484 0.497 -4.158
162 HE ARG 22 HE ARG 22 -8.330 2.150 -6.091
163 HH11 ARG 22 1HH2 ARG 22 -7.699 2.674 -2.729
164 HH12 ARG 22 2HH2 ARG 22 -7.224 4.325 -2.933
165 HH21 ARG 22 1HH1 ARG 22 -7.708 4.317 -6.367
166 HH22 ARG 22 2HH1 ARG 22 -7.228 5.256 -4.992
167 H ILE 23 HN ILE 23 -12.367 -2.752 -3.416
168 HA ILE 23 HA ILE 23 -14.124 -1.327 -5.260
169 HB ILE 23 HB ILE 23 -14.074 -4.193 -4.330
170 HG12 ILE 23 2HG1 ILE 23 -13.442 -3.007 -7.045
171 HG13 ILE 23 1HG1 ILE 23 -12.209 -3.366 -5.836
172 HG21 ILE 23 1HG2 ILE 23 -15.580 -4.117 -6.619
173 HG22 ILE 23 2HG2 ILE 23 -16.058 -2.613 -5.834
174 HG23 ILE 23 3HG2 ILE 23 -16.252 -4.148 -4.989
175 HD11 ILE 23 3HD1 ILE 23 -14.082 -5.325 -7.183
176 HD12 ILE 23 1HD1 ILE 23 -13.095 -5.742 -5.783
177 HD13 ILE 23 2HD1 ILE 23 -12.323 -5.274 -7.297
178 H GLU 24 HN GLU 24 -15.478 -3.770 -3.252
179 HA GLU 24 HA GLU 24 -16.750 -1.879 -1.431
180 HB2 GLU 24 2HB GLU 24 -18.304 -3.473 -3.479
181 HB3 GLU 24 1HB GLU 24 -19.043 -2.721 -2.064
182 HG2 GLU 24 2HG GLU 24 -18.078 -0.523 -2.822
183 HG3 GLU 24 1HG GLU 24 -17.567 -1.319 -4.307
184 H HIS 25 HN HIS 25 -15.271 -3.365 -0.152
185 HA HIS 25 HA HIS 25 -16.888 -5.580 0.897
186 HB2 HIS 25 2HB HIS 25 -13.994 -5.856 0.069
187 HB3 HIS 25 1HB HIS 25 -14.914 -7.064 0.966
188 HD2 HIS 25 2HD HIS 25 -14.610 -5.707 -2.682
189 HE1 HIS 25 1HE HIS 25 -17.462 -8.816 -2.706
190 HE2 HIS 25 2HE HIS 25 -16.099 -7.252 -4.171
191 HA PRO 26 HA PRO 26 -14.921 -2.773 4.100
192 HB2 PRO 26 2HB PRO 26 -17.639 -2.958 5.260
193 HB3 PRO 26 1HB PRO 26 -16.645 -1.526 4.936
194 HG2 PRO 26 2HG PRO 26 -18.794 -2.096 3.469
195 HG3 PRO 26 1HG PRO 26 -17.343 -1.367 2.757
196 HD2 PRO 26 2HD PRO 26 -18.270 -4.224 2.637
197 HD3 PRO 26 1HD PRO 26 -17.539 -3.219 1.364
198 H GLY 27 HN GLY 27 -16.934 -5.630 4.226
199 HA2 GLY 27 2HA GLY 27 -16.539 -6.367 6.915
200 HA3 GLY 27 1HA GLY 27 -16.935 -7.475 5.607
201 H ASN 28 HN ASN 28 -14.473 -6.655 4.104
202 HA ASN 28 HA ASN 28 -12.755 -8.698 4.972
203 HB2 ASN 28 2HB ASN 28 -12.314 -6.323 3.173
204 HB3 ASN 28 1HB ASN 28 -11.075 -7.545 3.452
205 HD21 ASN 28 1HD2 ASN 28 -12.182 -7.157 0.849
206 HD22 ASN 28 2HD2 ASN 28 -13.100 -8.527 0.446
207 H TYR 29 HN TYR 29 -12.731 -5.221 5.590
208 HA TYR 29 HA TYR 29 -10.528 -5.637 7.527
209 HB2 TYR 29 2HB TYR 29 -11.304 -3.112 6.042
210 HB3 TYR 29 1HB TYR 29 -9.988 -3.260 7.207
211 HD1 TYR 29 1HD TYR 29 -11.220 -4.407 3.905
212 HD2 TYR 29 2HD TYR 29 -7.894 -4.257 6.615
213 HE1 TYR 29 1HE TYR 29 -9.725 -5.228 2.108
214 HE2 TYR 29 2HE TYR 29 -6.392 -5.072 4.816
215 HH TYR 29 HH TYR 29 -6.370 -5.063 2.297
216 H ASP 30 HN ASP 30 -13.748 -5.415 7.453
217 HA ASP 30 HA ASP 30 -15.393 -4.689 8.853
218 HB2 ASP 30 2HB ASP 30 -13.130 -4.925 10.843
219 HB3 ASP 30 1HB ASP 30 -14.848 -4.904 11.203
220 H TYR 31 HN TYR 31 -14.091 -2.614 7.459
221 HA TYR 31 HA TYR 31 -14.542 -0.411 9.342
222 HB2 TYR 31 2HB TYR 31 -12.170 -0.579 9.469
223 HB3 TYR 31 1HB TYR 31 -12.023 -0.823 7.728
224 HD1 TYR 31 1HD TYR 31 -13.034 1.652 10.328
225 HD2 TYR 31 2HD TYR 31 -11.883 1.019 6.238
226 HE1 TYR 31 1HE TYR 31 -12.858 4.104 9.998
227 HE2 TYR 31 2HE TYR 31 -11.708 3.471 5.908
228 HH TYR 31 HH TYR 31 -11.307 5.589 8.053
Start of MODEL 18
1 H1 PCA 1 HN PCA 1 8.373 -1.737 4.069
2 HA PCA 1 HA PCA 1 6.778 -3.341 2.699
3 HB2 PCA 1 2HB PCA 1 5.057 -3.790 5.017
4 HB3 PCA 1 1HB PCA 1 5.900 -4.999 3.998
5 HG2 PCA 1 1HG PCA 1 7.512 -5.268 5.581
6 HG3 PCA 1 2HG PCA 1 6.625 -4.132 6.645
7 H TRP 2 HN TRP 2 7.056 -0.550 3.362
8 HA TRP 2 HA TRP 2 4.581 0.494 4.222
9 HB2 TRP 2 2HB TRP 2 6.668 1.823 4.042
10 HB3 TRP 2 1HB TRP 2 6.554 1.727 2.284
11 HD1 TRP 2 HD TRP 2 4.937 3.354 5.320
12 HE1 TRP 2 1HE TRP 2 3.354 5.227 4.523
13 HE3 TRP 2 3HE TRP 2 5.045 2.519 0.283
14 HZ2 TRP 2 2HZ TRP 2 2.276 6.237 2.073
15 HZ3 TRP 2 3HZ TRP 2 3.733 3.950 -1.258
16 HH2 TRP 2 HH TRP 2 2.350 5.807 -0.369
17 H CYS 3 HN CYS 3 2.667 0.756 3.227
18 HA CYS 3 HA CYS 3 2.515 0.175 0.328
19 HB2 CYS 3 2HB CYS 3 0.533 -0.562 2.486
20 HB3 CYS 3 1HB CYS 3 0.287 -0.801 0.758
21 H GLN 4 HN GLN 4 0.847 1.218 -0.839
22 HA GLN 4 HA GLN 4 0.264 3.862 0.186
23 HB2 GLN 4 2HB GLN 4 -0.819 3.432 -2.422
24 HB3 GLN 4 1HB GLN 4 0.527 4.471 -1.955
25 HG2 GLN 4 2HG GLN 4 2.036 2.487 -2.036
26 HG3 GLN 4 1HG GLN 4 0.678 1.510 -2.596
27 HE21 GLN 4 1HE2 GLN 4 3.342 2.735 -3.866
28 HE22 GLN 4 2HE2 GLN 4 2.785 3.269 -5.377
29 HA PRO 5 HA PRO 5 -4.030 3.377 1.080
30 HB2 PRO 5 2HB PRO 5 -4.819 5.306 -1.030
31 HB3 PRO 5 1HB PRO 5 -5.077 5.383 0.720
32 HG2 PRO 5 2HG PRO 5 -3.296 6.924 -0.554
33 HG3 PRO 5 1HG PRO 5 -3.072 6.378 1.115
34 HD2 PRO 5 2HD PRO 5 -1.712 5.456 -1.374
35 HD3 PRO 5 1HD PRO 5 -1.131 5.503 0.302
36 H GLY 6 HN GLY 6 -5.640 2.016 0.469
37 HA2 GLY 6 2HA GLY 6 -7.090 0.832 -0.919
38 HA3 GLY 6 1HA GLY 6 -6.353 1.626 -2.302
39 H TYR 7 HN TYR 7 -3.867 0.458 -0.483
40 HA TYR 7 HA TYR 7 -3.823 -2.139 -1.903
41 HB2 TYR 7 2HB TYR 7 -1.659 -0.104 -1.564
42 HB3 TYR 7 1HB TYR 7 -1.254 -1.784 -1.823
43 HD1 TYR 7 2HD TYR 7 -3.508 0.878 -3.218
44 HD2 TYR 7 1HD TYR 7 -1.048 -2.552 -4.001
45 HE1 TYR 7 2HE TYR 7 -3.932 1.131 -5.648
46 HE2 TYR 7 1HE TYR 7 -1.477 -2.304 -6.436
47 HH TYR 7 HH TYR 7 -2.595 0.416 -7.829
48 H ALA 8 HN ALA 8 -2.313 -3.701 -0.894
49 HA ALA 8 HA ALA 8 -1.930 -3.315 1.985
50 HB1 ALA 8 1HB ALA 8 -3.270 -5.033 2.662
51 HB2 ALA 8 2HB ALA 8 -3.000 -5.966 1.190
52 HB3 ALA 8 3HB ALA 8 -4.148 -4.627 1.188
53 H TYR 9 HN TYR 9 -0.070 -4.184 2.705
54 HA TYR 9 HA TYR 9 1.968 -4.941 1.042
55 HB2 TYR 9 2HB TYR 9 2.508 -4.365 3.282
56 HB3 TYR 9 1HB TYR 9 1.477 -5.641 3.925
57 HD1 TYR 9 1HD TYR 9 3.948 -5.792 1.092
58 HD2 TYR 9 2HD TYR 9 2.940 -7.090 5.063
59 HE1 TYR 9 1HE TYR 9 5.845 -7.356 1.050
60 HE2 TYR 9 2HE TYR 9 4.851 -8.669 5.023
61 HH TYR 9 HH TYR 9 7.003 -8.874 2.183
62 H ASN 10 HN ASN 10 2.641 -6.762 0.059
63 HA ASN 10 HA ASN 10 1.032 -9.186 0.497
64 HB2 ASN 10 2HB ASN 10 1.055 -7.791 -1.778
65 HB3 ASN 10 1HB ASN 10 2.421 -8.848 -2.072
66 HD21 ASN 10 1HD2 ASN 10 2.010 -11.161 -2.227
67 HD22 ASN 10 2HD2 ASN 10 0.437 -11.773 -2.372
68 HA PRO 11 HA PRO 11 5.342 -10.401 1.576
69 HB2 PRO 11 2HB PRO 11 4.646 -12.323 3.389
70 HB3 PRO 11 1HB PRO 11 4.800 -10.606 3.777
71 HG2 PRO 11 2HG PRO 11 2.380 -12.232 3.382
72 HG3 PRO 11 1HG PRO 11 2.636 -10.827 4.416
73 HD2 PRO 11 2HD PRO 11 1.316 -10.805 1.970
74 HD3 PRO 11 1HD PRO 11 1.973 -9.375 2.780
75 H VAL 12 HN VAL 12 2.894 -11.833 -0.121
76 HA VAL 12 HA VAL 12 4.312 -14.393 -0.467
77 HB VAL 12 HB VAL 12 1.586 -13.589 -1.508
78 HG11 VAL 12 1HG1 VAL 12 3.124 -16.192 -1.352
79 HG12 VAL 12 2HG1 VAL 12 2.474 -15.405 -2.790
80 HG13 VAL 12 3HG1 VAL 12 1.381 -16.136 -1.614
81 HG21 VAL 12 3HG2 VAL 12 1.536 -13.568 0.925
82 HG22 VAL 12 1HG2 VAL 12 2.404 -15.102 0.991
83 HG23 VAL 12 2HG2 VAL 12 0.756 -15.049 0.364
84 H LEU 13 HN LEU 13 3.746 -11.358 -1.908
85 HA LEU 13 HA LEU 13 4.717 -12.351 -4.502
86 HB2 LEU 13 2HB LEU 13 2.879 -11.232 -5.239
87 HB3 LEU 13 1HB LEU 13 2.727 -10.306 -3.757
88 HG LEU 13 HG LEU 13 4.542 -8.808 -4.482
89 HD11 LEU 13 1HD1 LEU 13 5.951 -9.411 -6.170
90 HD12 LEU 13 2HD1 LEU 13 4.591 -9.573 -7.282
91 HD13 LEU 13 3HD1 LEU 13 5.087 -10.938 -6.294
92 HD21 LEU 13 3HD2 LEU 13 2.304 -8.151 -5.060
93 HD22 LEU 13 1HD2 LEU 13 2.306 -9.187 -6.485
94 HD23 LEU 13 2HD2 LEU 13 3.359 -7.774 -6.416
95 H GLY 14 HN GLY 14 5.084 -9.796 -2.059
96 HA2 GLY 14 2HA GLY 14 7.443 -9.370 -1.407
97 HA3 GLY 14 1HA GLY 14 7.800 -9.270 -3.125
98 H ILE 15 HN ILE 15 4.812 -7.861 -2.696
99 HA ILE 15 HA ILE 15 5.734 -5.254 -1.807
100 HB ILE 15 HB ILE 15 4.944 -4.137 -3.904
101 HG12 ILE 15 2HG1 ILE 15 5.247 -6.737 -5.359
102 HG13 ILE 15 1HG1 ILE 15 3.726 -6.448 -4.527
103 HG21 ILE 15 1HG2 ILE 15 7.150 -6.124 -4.488
104 HG22 ILE 15 2HG2 ILE 15 7.377 -4.762 -3.390
105 HG23 ILE 15 3HG2 ILE 15 6.992 -4.472 -5.086
106 HD11 ILE 15 3HD1 ILE 15 4.832 -4.257 -6.228
107 HD12 ILE 15 1HD1 ILE 15 3.154 -4.668 -5.875
108 HD13 ILE 15 2HD1 ILE 15 4.079 -5.636 -7.025
109 H CYS 16 HN CYS 16 3.678 -3.677 -2.581
110 HA CYS 16 HA CYS 16 1.434 -4.849 -1.143
111 HB2 CYS 16 2HB CYS 16 1.686 -2.024 -2.163
112 HB3 CYS 16 1HB CYS 16 0.643 -2.628 -0.875
113 H THR 17 HN THR 17 -0.560 -5.168 -1.975
114 HA THR 17 HA THR 17 -0.922 -4.653 -4.868
115 HB THR 17 HB THR 17 -2.108 -6.797 -5.047
116 HG1 THR 17 1HG THR 17 -1.288 -8.040 -2.906
117 HG21 THR 17 3HG2 THR 17 -0.061 -8.266 -4.562
118 HG22 THR 17 1HG2 THR 17 0.711 -6.788 -3.988
119 HG23 THR 17 2HG2 THR 17 0.170 -6.907 -5.663
120 H ILE 18 HN ILE 18 -3.083 -4.310 -5.550
121 HA ILE 18 HA ILE 18 -4.621 -2.710 -3.925
122 HB ILE 18 HB ILE 18 -4.728 -2.983 -6.451
123 HG12 ILE 18 2HG1 ILE 18 -7.461 -3.139 -5.208
124 HG13 ILE 18 1HG1 ILE 18 -6.406 -1.778 -4.837
125 HG21 ILE 18 1HG2 ILE 18 -5.133 -5.549 -6.060
126 HG22 ILE 18 2HG2 ILE 18 -5.962 -4.731 -7.384
127 HG23 ILE 18 3HG2 ILE 18 -6.819 -5.061 -5.878
128 HD11 ILE 18 3HD1 ILE 18 -8.068 -1.810 -6.961
129 HD12 ILE 18 1HD1 ILE 18 -6.621 -2.490 -7.698
130 HD13 ILE 18 2HD1 ILE 18 -6.554 -0.907 -6.924
131 H THR 19 HN THR 19 -6.347 -3.022 -2.577
132 HA THR 19 HA THR 19 -6.745 -5.778 -1.650
133 HB THR 19 HB THR 19 -6.326 -4.494 0.229
134 HG1 THR 19 1HG THR 19 -8.168 -5.249 0.933
135 HG21 THR 19 3HG2 THR 19 -7.615 -2.324 -1.369
136 HG22 THR 19 1HG2 THR 19 -6.084 -2.319 -0.494
137 HG23 THR 19 2HG2 THR 19 -7.604 -2.173 0.387
138 H LEU 20 HN LEU 20 -8.969 -6.430 -1.029
139 HA LEU 20 HA LEU 20 -10.724 -6.280 -3.196
140 HB2 LEU 20 2HB LEU 20 -10.845 -7.338 -0.427
141 HB3 LEU 20 1HB LEU 20 -12.392 -7.023 -1.203
142 HG LEU 20 HG LEU 20 -11.530 -9.363 -1.590
143 HD11 LEU 20 1HD1 LEU 20 -11.428 -8.369 -4.325
144 HD12 LEU 20 2HD1 LEU 20 -12.711 -7.585 -3.409
145 HD13 LEU 20 3HD1 LEU 20 -12.673 -9.341 -3.542
146 HD21 LEU 20 3HD2 LEU 20 -9.566 -8.281 -3.559
147 HD22 LEU 20 1HD2 LEU 20 -9.510 -9.774 -2.621
148 HD23 LEU 20 2HD2 LEU 20 -9.102 -8.238 -1.857
149 H SER 21 HN SER 21 -10.189 -4.102 -0.613
150 HA SER 21 HA SER 21 -12.721 -2.908 -0.351
151 HB2 SER 21 2HB SER 21 -9.951 -1.731 -0.055
152 HB3 SER 21 1HB SER 21 -11.432 -0.905 0.422
153 HG SER 21 HG SER 21 -11.504 -2.111 2.138
154 H ARG 22 HN ARG 22 -10.024 -2.199 -2.554
155 HA ARG 22 HA ARG 22 -11.432 -0.067 -3.872
156 HB2 ARG 22 2HB ARG 22 -8.820 -1.471 -4.270
157 HB3 ARG 22 1HB ARG 22 -9.482 -0.548 -5.612
158 HG2 ARG 22 2HG ARG 22 -9.768 1.372 -3.874
159 HG3 ARG 22 1HG ARG 22 -8.647 0.435 -2.888
160 HD2 ARG 22 2HD ARG 22 -7.456 2.108 -4.249
161 HD3 ARG 22 1HD ARG 22 -7.003 0.476 -4.729
162 HE ARG 22 HE ARG 22 -9.189 1.516 -6.283
163 HH11 ARG 22 1HH2 ARG 22 -5.758 1.505 -5.832
164 HH12 ARG 22 2HH2 ARG 22 -5.401 1.883 -7.485
165 HH21 ARG 22 1HH1 ARG 22 -8.729 2.011 -8.451
166 HH22 ARG 22 2HH1 ARG 22 -7.083 2.169 -8.968
167 H ILE 23 HN ILE 23 -11.030 -3.498 -4.333
168 HA ILE 23 HA ILE 23 -11.860 -3.694 -7.010
169 HB ILE 23 HB ILE 23 -12.304 -5.645 -4.751
170 HG12 ILE 23 2HG1 ILE 23 -9.919 -5.068 -5.078
171 HG13 ILE 23 1HG1 ILE 23 -10.227 -6.715 -5.618
172 HG21 ILE 23 1HG2 ILE 23 -13.448 -6.864 -6.264
173 HG22 ILE 23 2HG2 ILE 23 -11.958 -6.992 -7.194
174 HG23 ILE 23 3HG2 ILE 23 -13.095 -5.690 -7.533
175 HD11 ILE 23 3HD1 ILE 23 -9.580 -4.272 -7.231
176 HD12 ILE 23 1HD1 ILE 23 -10.636 -5.473 -7.959
177 HD13 ILE 23 2HD1 ILE 23 -9.020 -5.930 -7.443
178 H GLU 24 HN GLU 24 -13.746 -3.793 -4.064
179 HA GLU 24 HA GLU 24 -16.085 -2.885 -5.555
180 HB2 GLU 24 2HB GLU 24 -15.999 -5.375 -3.861
181 HB3 GLU 24 1HB GLU 24 -17.502 -4.575 -4.324
182 HG2 GLU 24 2HG GLU 24 -16.863 -4.809 -6.701
183 HG3 GLU 24 1HG GLU 24 -15.405 -5.655 -6.219
184 H HIS 25 HN HIS 25 -17.952 -2.449 -3.944
185 HA HIS 25 HA HIS 25 -18.561 -0.828 -2.375
186 HB2 HIS 25 2HB HIS 25 -17.854 -1.773 -0.012
187 HB3 HIS 25 1HB HIS 25 -19.033 -2.627 -1.003
188 HD2 HIS 25 2HD HIS 25 -15.159 -2.928 -0.189
189 HE1 HIS 25 1HE HIS 25 -16.543 -6.643 -1.632
190 HE2 HIS 25 2HE HIS 25 -14.544 -5.421 -0.654
191 HA PRO 26 HA PRO 26 -14.134 0.897 -2.210
192 HB2 PRO 26 2HB PRO 26 -14.806 3.214 -3.584
193 HB3 PRO 26 1HB PRO 26 -14.108 1.765 -4.331
194 HG2 PRO 26 2HG PRO 26 -16.946 2.650 -4.207
195 HG3 PRO 26 1HG PRO 26 -16.054 1.902 -5.544
196 HD2 PRO 26 2HD PRO 26 -17.761 0.475 -4.043
197 HD3 PRO 26 1HD PRO 26 -16.263 -0.250 -4.656
198 H GLY 27 HN GLY 27 -17.354 2.167 -1.664
199 HA2 GLY 27 2HA GLY 27 -16.693 4.475 -0.190
200 HA3 GLY 27 1HA GLY 27 -18.213 3.590 -0.075
201 H ASN 28 HN ASN 28 -17.136 1.087 0.760
202 HA ASN 28 HA ASN 28 -16.750 -0.009 2.744
203 HB2 ASN 28 2HB ASN 28 -14.635 2.146 2.933
204 HB3 ASN 28 1HB ASN 28 -14.694 0.698 3.938
205 HD21 ASN 28 1HD2 ASN 28 -13.736 1.940 0.839
206 HD22 ASN 28 2HD2 ASN 28 -13.222 0.463 0.178
207 H TYR 29 HN TYR 29 -18.848 1.880 2.846
208 HA TYR 29 HA TYR 29 -20.189 2.995 4.344
209 HB2 TYR 29 2HB TYR 29 -18.487 1.615 6.433
210 HB3 TYR 29 1HB TYR 29 -20.139 2.204 6.617
211 HD1 TYR 29 2HD TYR 29 -22.028 1.048 5.560
212 HD2 TYR 29 1HD TYR 29 -18.009 -0.414 5.169
213 HE1 TYR 29 2HE TYR 29 -22.897 -1.120 4.725
214 HE2 TYR 29 1HE TYR 29 -18.876 -2.578 4.332
215 HH TYR 29 HH TYR 29 -21.450 -3.810 4.748
216 H ASP 30 HN ASP 30 -17.548 4.178 3.505
217 HA ASP 30 HA ASP 30 -16.186 5.940 3.996
218 HB2 ASP 30 2HB ASP 30 -18.692 6.798 5.450
219 HB3 ASP 30 1HB ASP 30 -17.370 7.839 4.953
220 H TYR 31 HN TYR 31 -15.888 3.714 5.763
221 HA TYR 31 HA TYR 31 -14.544 5.038 7.940
222 HB2 TYR 31 2HB TYR 31 -17.147 3.657 8.367
223 HB3 TYR 31 1HB TYR 31 -15.879 3.386 9.561
224 HD1 TYR 31 2HD TYR 31 -14.748 5.410 10.623
225 HD2 TYR 31 1HD TYR 31 -18.359 5.695 8.316
226 HE1 TYR 31 2HE TYR 31 -15.213 7.632 11.624
227 HE2 TYR 31 1HE TYR 31 -18.824 7.916 9.314
228 HH TYR 31 HH TYR 31 -18.085 9.072 11.646
Start of MODEL 19
1 H1 PCA 1 HN PCA 1 7.593 -2.383 5.532
2 HA PCA 1 HA PCA 1 7.648 -2.336 2.907
3 HB2 PCA 1 2HB PCA 1 5.257 -3.969 2.636
4 HB3 PCA 1 1HB PCA 1 6.904 -4.298 2.011
5 HG2 PCA 1 1HG PCA 1 7.252 -5.823 3.663
6 HG3 PCA 1 2HG PCA 1 5.593 -5.528 4.273
7 H TRP 2 HN TRP 2 7.049 -0.257 3.232
8 HA TRP 2 HA TRP 2 4.489 0.461 4.217
9 HB2 TRP 2 2HB TRP 2 6.432 2.003 4.158
10 HB3 TRP 2 1HB TRP 2 6.316 2.045 2.397
11 HD1 TRP 2 HD TRP 2 4.544 3.222 5.555
12 HE1 TRP 2 1HE TRP 2 2.780 4.989 4.913
13 HE3 TRP 2 3HE TRP 2 4.748 2.862 0.467
14 HZ2 TRP 2 2HZ TRP 2 1.610 6.104 2.553
15 HZ3 TRP 2 3HZ TRP 2 3.300 4.289 -0.955
16 HH2 TRP 2 HH TRP 2 1.733 5.906 0.081
17 H CYS 3 HN CYS 3 2.559 0.623 3.245
18 HA CYS 3 HA CYS 3 2.434 0.186 0.318
19 HB2 CYS 3 2HB CYS 3 0.469 -0.677 2.454
20 HB3 CYS 3 1HB CYS 3 0.243 -0.887 0.719
21 H GLN 4 HN GLN 4 0.800 1.279 -0.840
22 HA GLN 4 HA GLN 4 0.184 3.860 0.309
23 HB2 GLN 4 2HB GLN 4 -0.877 3.527 -2.333
24 HB3 GLN 4 1HB GLN 4 0.431 4.582 -1.801
25 HG2 GLN 4 2HG GLN 4 1.992 2.630 -1.942
26 HG3 GLN 4 1HG GLN 4 0.666 1.659 -2.582
27 HE21 GLN 4 1HE2 GLN 4 1.069 1.425 -4.786
28 HE22 GLN 4 2HE2 GLN 4 1.485 2.694 -5.831
29 HA PRO 5 HA PRO 5 -4.144 3.335 1.088
30 HB2 PRO 5 2HB PRO 5 -4.922 5.261 -1.036
31 HB3 PRO 5 1HB PRO 5 -5.237 5.311 0.707
32 HG2 PRO 5 2HG PRO 5 -3.466 6.909 -0.479
33 HG3 PRO 5 1HG PRO 5 -3.254 6.325 1.176
34 HD2 PRO 5 2HD PRO 5 -1.838 5.492 -1.316
35 HD3 PRO 5 1HD PRO 5 -1.276 5.537 0.368
36 H GLY 6 HN GLY 6 -5.705 1.938 0.435
37 HA2 GLY 6 2HA GLY 6 -7.098 0.725 -0.983
38 HA3 GLY 6 1HA GLY 6 -6.362 1.542 -2.356
39 H TYR 7 HN TYR 7 -3.875 0.452 -0.494
40 HA TYR 7 HA TYR 7 -3.736 -2.150 -1.882
41 HB2 TYR 7 2HB TYR 7 -1.617 -0.052 -1.551
42 HB3 TYR 7 1HB TYR 7 -1.198 -1.727 -1.836
43 HD1 TYR 7 1HD TYR 7 -3.461 0.943 -3.207
44 HD2 TYR 7 2HD TYR 7 -1.022 -2.499 -4.013
45 HE1 TYR 7 1HE TYR 7 -3.905 1.199 -5.634
46 HE2 TYR 7 2HE TYR 7 -1.478 -2.254 -6.439
47 HH TYR 7 HH TYR 7 -3.627 0.318 -7.654
48 H ALA 8 HN ALA 8 -2.219 -3.657 -0.854
49 HA ALA 8 HA ALA 8 -1.772 -3.234 2.003
50 HB1 ALA 8 1HB ALA 8 -3.043 -5.009 2.756
51 HB2 ALA 8 2HB ALA 8 -3.018 -5.831 1.196
52 HB3 ALA 8 3HB ALA 8 -4.059 -4.429 1.438
53 H TYR 9 HN TYR 9 0.048 -4.212 2.718
54 HA TYR 9 HA TYR 9 1.995 -5.018 0.981
55 HB2 TYR 9 2HB TYR 9 2.531 -4.428 3.274
56 HB3 TYR 9 1HB TYR 9 1.650 -5.835 3.859
57 HD1 TYR 9 2HD TYR 9 4.060 -5.510 0.973
58 HD2 TYR 9 1HD TYR 9 3.210 -7.262 4.807
59 HE1 TYR 9 2HE TYR 9 6.089 -6.905 0.784
60 HE2 TYR 9 1HE TYR 9 5.248 -8.668 4.610
61 HH TYR 9 HH TYR 9 7.688 -8.065 2.455
62 H ASN 10 HN ASN 10 2.644 -6.878 0.049
63 HA ASN 10 HA ASN 10 0.928 -9.249 0.459
64 HB2 ASN 10 2HB ASN 10 1.009 -7.828 -1.794
65 HB3 ASN 10 1HB ASN 10 2.382 -8.875 -2.091
66 HD21 ASN 10 1HD2 ASN 10 1.981 -11.162 -2.368
67 HD22 ASN 10 2HD2 ASN 10 0.414 -11.794 -2.510
68 HA PRO 11 HA PRO 11 5.238 -10.467 1.679
69 HB2 PRO 11 2HB PRO 11 3.917 -12.503 3.302
70 HB3 PRO 11 1HB PRO 11 4.963 -11.178 3.824
71 HG2 PRO 11 2HG PRO 11 2.275 -11.320 4.280
72 HG3 PRO 11 1HG PRO 11 3.216 -9.826 4.266
73 HD2 PRO 11 2HD PRO 11 1.336 -10.888 2.226
74 HD3 PRO 11 1HD PRO 11 1.784 -9.213 2.590
75 H VAL 12 HN VAL 12 2.827 -11.818 -0.155
76 HA VAL 12 HA VAL 12 4.210 -14.407 -0.477
77 HB VAL 12 HB VAL 12 1.523 -13.581 -1.602
78 HG11 VAL 12 1HG1 VAL 12 1.854 -16.384 -1.075
79 HG12 VAL 12 2HG1 VAL 12 3.222 -15.824 -2.032
80 HG13 VAL 12 3HG1 VAL 12 1.579 -15.585 -2.622
81 HG21 VAL 12 3HG2 VAL 12 2.158 -15.128 0.932
82 HG22 VAL 12 1HG2 VAL 12 0.546 -14.833 0.280
83 HG23 VAL 12 2HG2 VAL 12 1.516 -13.485 0.875
84 H LEU 13 HN LEU 13 3.692 -11.371 -1.927
85 HA LEU 13 HA LEU 13 4.730 -12.353 -4.502
86 HB2 LEU 13 2HB LEU 13 2.917 -11.258 -5.263
87 HB3 LEU 13 1HB LEU 13 2.733 -10.329 -3.796
88 HG LEU 13 HG LEU 13 4.530 -8.804 -4.505
89 HD11 LEU 13 1HD1 LEU 13 4.631 -9.582 -7.289
90 HD12 LEU 13 2HD1 LEU 13 5.147 -10.940 -6.299
91 HD13 LEU 13 3HD1 LEU 13 5.981 -9.394 -6.172
92 HD21 LEU 13 3HD2 LEU 13 3.356 -7.829 -6.480
93 HD22 LEU 13 1HD2 LEU 13 2.293 -8.200 -5.125
94 HD23 LEU 13 2HD2 LEU 13 2.318 -9.259 -6.530
95 H GLY 14 HN GLY 14 5.075 -9.851 -2.019
96 HA2 GLY 14 2HA GLY 14 7.422 -9.386 -1.322
97 HA3 GLY 14 1HA GLY 14 7.801 -9.293 -3.034
98 H ILE 15 HN ILE 15 4.830 -7.876 -2.819
99 HA ILE 15 HA ILE 15 5.751 -5.267 -1.875
100 HB ILE 15 HB ILE 15 5.004 -4.143 -3.965
101 HG12 ILE 15 2HG1 ILE 15 5.264 -6.733 -5.438
102 HG13 ILE 15 1HG1 ILE 15 3.742 -6.426 -4.617
103 HG21 ILE 15 1HG2 ILE 15 7.050 -4.538 -5.149
104 HG22 ILE 15 2HG2 ILE 15 7.170 -6.181 -4.522
105 HG23 ILE 15 3HG2 ILE 15 7.414 -4.808 -3.444
106 HD11 ILE 15 3HD1 ILE 15 4.906 -4.244 -6.294
107 HD12 ILE 15 1HD1 ILE 15 3.217 -4.620 -5.946
108 HD13 ILE 15 2HD1 ILE 15 4.121 -5.605 -7.098
109 H CYS 16 HN CYS 16 3.719 -3.661 -2.628
110 HA CYS 16 HA CYS 16 1.457 -4.826 -1.208
111 HB2 CYS 16 2HB CYS 16 1.740 -2.003 -2.232
112 HB3 CYS 16 1HB CYS 16 0.680 -2.602 -0.960
113 H THR 17 HN THR 17 -0.512 -5.098 -2.034
114 HA THR 17 HA THR 17 -0.882 -4.617 -4.930
115 HB THR 17 HB THR 17 -2.067 -6.749 -5.112
116 HG1 THR 17 1HG THR 17 -1.284 -7.026 -2.401
117 HG21 THR 17 3HG2 THR 17 0.709 -6.889 -3.925
118 HG22 THR 17 1HG2 THR 17 0.285 -6.771 -5.632
119 HG23 THR 17 2HG2 THR 17 -0.080 -8.243 -4.732
120 H ILE 18 HN ILE 18 -3.074 -4.306 -5.604
121 HA ILE 18 HA ILE 18 -4.569 -2.688 -3.936
122 HB ILE 18 HB ILE 18 -4.664 -2.922 -6.485
123 HG12 ILE 18 2HG1 ILE 18 -7.432 -2.974 -5.340
124 HG13 ILE 18 1HG1 ILE 18 -6.342 -1.693 -4.829
125 HG21 ILE 18 1HG2 ILE 18 -6.809 -4.946 -5.857
126 HG22 ILE 18 2HG2 ILE 18 -5.149 -5.446 -6.192
127 HG23 ILE 18 3HG2 ILE 18 -6.072 -4.575 -7.417
128 HD11 ILE 18 3HD1 ILE 18 -7.053 -2.356 -7.691
129 HD12 ILE 18 1HD1 ILE 18 -5.934 -1.095 -7.174
130 HD13 ILE 18 2HD1 ILE 18 -7.641 -0.976 -6.767
131 H THR 19 HN THR 19 -6.065 -3.042 -2.414
132 HA THR 19 HA THR 19 -6.609 -5.804 -1.650
133 HB THR 19 HB THR 19 -6.075 -4.536 0.231
134 HG1 THR 19 1HG THR 19 -8.515 -3.893 0.864
135 HG21 THR 19 3HG2 THR 19 -5.959 -2.322 -0.343
136 HG22 THR 19 1HG2 THR 19 -7.510 -2.282 0.495
137 HG23 THR 19 2HG2 THR 19 -7.461 -2.373 -1.266
138 H LEU 20 HN LEU 20 -8.811 -6.464 -1.068
139 HA LEU 20 HA LEU 20 -10.646 -6.088 -3.172
140 HB2 LEU 20 2HB LEU 20 -10.651 -7.453 -0.550
141 HB3 LEU 20 1HB LEU 20 -12.224 -7.086 -1.268
142 HG LEU 20 HG LEU 20 -11.575 -8.202 -3.347
143 HD11 LEU 20 1HD1 LEU 20 -9.269 -7.921 -3.613
144 HD12 LEU 20 2HD1 LEU 20 -9.352 -9.603 -3.092
145 HD13 LEU 20 3HD1 LEU 20 -8.924 -8.342 -1.936
146 HD21 LEU 20 3HD2 LEU 20 -11.799 -9.454 -0.772
147 HD22 LEU 20 1HD2 LEU 20 -10.762 -10.423 -1.815
148 HD23 LEU 20 2HD2 LEU 20 -12.397 -10.014 -2.331
149 H SER 21 HN SER 21 -10.092 -4.373 -0.245
150 HA SER 21 HA SER 21 -12.541 -3.206 0.299
151 HB2 SER 21 2HB SER 21 -10.559 -2.900 1.718
152 HB3 SER 21 1HB SER 21 -9.819 -1.904 0.469
153 HG SER 21 HG SER 21 -12.290 -1.388 1.778
154 H ARG 22 HN ARG 22 -10.159 -2.345 -2.150
155 HA ARG 22 HA ARG 22 -11.172 0.123 -2.963
156 HB2 ARG 22 2HB ARG 22 -9.027 -0.890 -3.760
157 HB3 ARG 22 1HB ARG 22 -9.966 -2.006 -4.749
158 HG2 ARG 22 2HG ARG 22 -10.718 0.829 -5.095
159 HG3 ARG 22 1HG ARG 22 -9.078 0.447 -5.603
160 HD2 ARG 22 2HD ARG 22 -9.931 -1.375 -7.017
161 HD3 ARG 22 1HD ARG 22 -11.571 -1.024 -6.498
162 HE ARG 22 HE ARG 22 -9.961 0.551 -8.339
163 HH11 ARG 22 1HH2 ARG 22 -12.754 0.306 -6.316
164 HH12 ARG 22 2HH2 ARG 22 -13.634 1.541 -7.149
165 HH21 ARG 22 1HH1 ARG 22 -11.112 2.169 -9.442
166 HH22 ARG 22 2HH1 ARG 22 -12.705 2.597 -8.917
167 H ILE 23 HN ILE 23 -12.135 -3.163 -3.878
168 HA ILE 23 HA ILE 23 -13.821 -2.698 -5.983
169 HB ILE 23 HB ILE 23 -14.377 -4.535 -3.652
170 HG12 ILE 23 2HG1 ILE 23 -12.143 -4.906 -4.558
171 HG13 ILE 23 1HG1 ILE 23 -13.207 -6.230 -5.021
172 HG21 ILE 23 1HG2 ILE 23 -15.806 -3.974 -6.096
173 HG22 ILE 23 2HG2 ILE 23 -16.247 -5.072 -4.783
174 HG23 ILE 23 3HG2 ILE 23 -15.223 -5.637 -6.105
175 HD11 ILE 23 3HD1 ILE 23 -12.007 -4.070 -6.713
176 HD12 ILE 23 1HD1 ILE 23 -13.575 -4.716 -7.190
177 HD13 ILE 23 2HD1 ILE 23 -12.187 -5.789 -7.054
178 H GLU 24 HN GLU 24 -15.627 -3.445 -3.134
179 HA GLU 24 HA GLU 24 -16.883 -0.811 -3.081
180 HB2 GLU 24 2HB GLU 24 -18.380 -3.374 -3.671
181 HB3 GLU 24 1HB GLU 24 -19.158 -1.864 -3.201
182 HG2 GLU 24 2HG GLU 24 -18.096 -0.744 -5.152
183 HG3 GLU 24 1HG GLU 24 -17.409 -2.288 -5.640
184 H HIS 25 HN HIS 25 -15.178 -2.081 -1.177
185 HA HIS 25 HA HIS 25 -17.121 -2.368 1.044
186 HB2 HIS 25 2HB HIS 25 -14.634 -4.051 0.683
187 HB3 HIS 25 1HB HIS 25 -15.778 -4.153 2.017
188 HD2 HIS 25 2HD HIS 25 -15.354 -5.510 -1.571
189 HE1 HIS 25 1HE HIS 25 -19.271 -6.503 -0.357
190 HE2 HIS 25 2HE HIS 25 -17.500 -6.889 -2.131
191 HA PRO 26 HA PRO 26 -13.615 0.621 1.902
192 HB2 PRO 26 2HB PRO 26 -15.056 2.922 2.014
193 HB3 PRO 26 1HB PRO 26 -14.398 2.278 0.497
194 HG2 PRO 26 2HG PRO 26 -17.174 2.145 1.564
195 HG3 PRO 26 1HG PRO 26 -16.609 2.386 -0.098
196 HD2 PRO 26 2HD PRO 26 -17.515 -0.034 0.877
197 HD3 PRO 26 1HD PRO 26 -16.402 0.138 -0.499
198 H GLY 27 HN GLY 27 -16.704 -0.098 3.258
199 HA2 GLY 27 2HA GLY 27 -16.690 1.376 5.636
200 HA3 GLY 27 1HA GLY 27 -17.492 -0.172 5.415
201 H ASN 28 HN ASN 28 -15.184 -1.707 4.835
202 HA ASN 28 HA ASN 28 -14.367 -2.445 7.416
203 HB2 ASN 28 2HB ASN 28 -13.216 -3.044 4.692
204 HB3 ASN 28 1HB ASN 28 -12.581 -3.752 6.176
205 HD21 ASN 28 1HD2 ASN 28 -13.795 -5.355 4.110
206 HD22 ASN 28 2HD2 ASN 28 -15.227 -6.015 4.739
207 H TYR 29 HN TYR 29 -12.900 -0.325 5.012
208 HA TYR 29 HA TYR 29 -10.744 0.318 6.936
209 HB2 TYR 29 2HB TYR 29 -10.773 0.579 3.921
210 HB3 TYR 29 1HB TYR 29 -9.441 1.054 4.978
211 HD1 TYR 29 1HD TYR 29 -11.421 -1.812 3.723
212 HD2 TYR 29 2HD TYR 29 -7.998 -0.581 6.007
213 HE1 TYR 29 1HE TYR 29 -10.586 -4.146 3.727
214 HE2 TYR 29 2HE TYR 29 -7.162 -2.917 6.011
215 HH TYR 29 HH TYR 29 -7.621 -5.032 5.489
216 H ASP 30 HN ASP 30 -13.441 1.492 6.940
217 HA ASP 30 HA ASP 30 -12.991 4.213 5.947
218 HB2 ASP 30 2HB ASP 30 -15.319 4.609 6.561
219 HB3 ASP 30 1HB ASP 30 -15.189 3.150 5.585
220 H TYR 31 HN TYR 31 -11.925 2.636 8.519
221 HA TYR 31 HA TYR 31 -12.674 3.791 10.860
222 HB2 TYR 31 2HB TYR 31 -10.909 2.199 10.912
223 HB3 TYR 31 1HB TYR 31 -9.896 3.178 9.850
224 HD1 TYR 31 2HD TYR 31 -11.529 3.156 13.211
225 HD2 TYR 31 1HD TYR 31 -8.429 4.801 10.736
226 HE1 TYR 31 2HE TYR 31 -10.562 4.303 15.185
227 HE2 TYR 31 1HE TYR 31 -7.462 5.949 12.710
228 HH TYR 31 HH TYR 31 -7.627 6.313 14.887
Start of MODEL 20
1 H1 PCA 1 HN PCA 1 7.325 -2.043 6.298
2 HA PCA 1 HA PCA 1 7.427 -2.407 3.718
3 HB2 PCA 1 2HB PCA 1 4.945 -3.863 3.518
4 HB3 PCA 1 1HB PCA 1 6.599 -4.455 3.164
5 HG2 PCA 1 1HG PCA 1 6.573 -5.685 5.077
6 HG3 PCA 1 2HG PCA 1 4.935 -5.070 5.460
7 H TRP 2 HN TRP 2 6.998 -0.224 3.825
8 HA TRP 2 HA TRP 2 4.421 0.776 4.464
9 HB2 TRP 2 2HB TRP 2 6.450 2.181 4.454
10 HB3 TRP 2 1HB TRP 2 6.555 2.001 2.704
11 HD1 TRP 2 HD TRP 2 4.521 3.702 5.436
12 HE1 TRP 2 1HE TRP 2 2.993 5.477 4.357
13 HE3 TRP 2 3HE TRP 2 5.289 2.643 0.503
14 HZ2 TRP 2 2HZ TRP 2 2.202 6.334 1.745
15 HZ3 TRP 2 3HZ TRP 2 4.138 3.954 -1.261
16 HH2 TRP 2 HH TRP 2 2.596 5.796 -0.645
17 H CYS 3 HN CYS 3 2.599 0.868 3.310
18 HA CYS 3 HA CYS 3 2.745 0.293 0.412
19 HB2 CYS 3 2HB CYS 3 0.746 -0.683 2.447
20 HB3 CYS 3 1HB CYS 3 0.485 -0.783 0.706
21 H GLN 4 HN GLN 4 1.273 1.344 -0.916
22 HA GLN 4 HA GLN 4 0.502 3.947 -0.105
23 HB2 GLN 4 2HB GLN 4 -0.726 3.241 -2.565
24 HB3 GLN 4 1HB GLN 4 0.679 4.271 -2.316
25 HG2 GLN 4 2HG GLN 4 2.122 2.254 -2.309
26 HG3 GLN 4 1HG GLN 4 0.703 1.249 -2.602
27 HE21 GLN 4 1HE2 GLN 4 1.026 0.559 -4.742
28 HE22 GLN 4 2HE2 GLN 4 1.264 1.611 -6.052
29 HA PRO 5 HA PRO 5 -3.636 3.295 1.181
30 HB2 PRO 5 2HB PRO 5 -4.988 5.311 -0.160
31 HB3 PRO 5 1HB PRO 5 -4.043 5.541 1.322
32 HG2 PRO 5 2HG PRO 5 -3.330 6.136 -1.491
33 HG3 PRO 5 1HG PRO 5 -2.883 6.971 0.001
34 HD2 PRO 5 2HD PRO 5 -1.176 5.321 -1.358
35 HD3 PRO 5 1HD PRO 5 -1.063 5.597 0.389
36 H GLY 6 HN GLY 6 -5.327 2.046 0.636
37 HA2 GLY 6 2HA GLY 6 -6.999 1.110 -0.733
38 HA3 GLY 6 1HA GLY 6 -6.220 1.838 -2.137
39 H TYR 7 HN TYR 7 -3.684 0.613 -0.614
40 HA TYR 7 HA TYR 7 -3.910 -2.033 -1.908
41 HB2 TYR 7 2HB TYR 7 -1.620 -0.121 -1.679
42 HB3 TYR 7 1HB TYR 7 -1.320 -1.833 -1.902
43 HD1 TYR 7 1HD TYR 7 -3.532 0.868 -3.300
44 HD2 TYR 7 2HD TYR 7 -1.166 -2.628 -4.076
45 HE1 TYR 7 1HE TYR 7 -4.010 1.082 -5.724
46 HE2 TYR 7 2HE TYR 7 -1.656 -2.425 -6.500
47 HH TYR 7 HH TYR 7 -3.271 0.394 -7.810
48 H ALA 8 HN ALA 8 -2.396 -3.664 -0.942
49 HA ALA 8 HA ALA 8 -2.011 -3.308 1.943
50 HB1 ALA 8 1HB ALA 8 -4.222 -4.580 1.182
51 HB2 ALA 8 2HB ALA 8 -3.280 -5.121 2.571
52 HB3 ALA 8 3HB ALA 8 -3.095 -5.928 1.013
53 H TYR 9 HN TYR 9 -0.145 -4.158 2.655
54 HA TYR 9 HA TYR 9 1.892 -4.906 0.974
55 HB2 TYR 9 2HB TYR 9 2.450 -4.280 3.193
56 HB3 TYR 9 1HB TYR 9 1.439 -5.553 3.874
57 HD1 TYR 9 2HD TYR 9 3.928 -5.679 1.046
58 HD2 TYR 9 1HD TYR 9 2.872 -7.021 4.992
59 HE1 TYR 9 2HE TYR 9 5.836 -7.230 1.021
60 HE2 TYR 9 1HE TYR 9 4.794 -8.583 4.968
61 HH TYR 9 HH TYR 9 7.124 -8.588 2.300
62 H ASN 10 HN ASN 10 2.568 -6.743 0.018
63 HA ASN 10 HA ASN 10 0.981 -9.170 0.522
64 HB2 ASN 10 2HB ASN 10 0.970 -7.825 -1.772
65 HB3 ASN 10 1HB ASN 10 2.344 -8.871 -2.066
66 HD21 ASN 10 1HD2 ASN 10 1.956 -11.184 -2.192
67 HD22 ASN 10 2HD2 ASN 10 0.390 -11.822 -2.300
68 HA PRO 11 HA PRO 11 5.316 -10.359 1.563
69 HB2 PRO 11 2HB PRO 11 4.651 -12.269 3.414
70 HB3 PRO 11 1HB PRO 11 4.782 -10.547 3.789
71 HG2 PRO 11 2HG PRO 11 2.383 -12.205 3.391
72 HG3 PRO 11 1HG PRO 11 2.621 -10.809 4.437
73 HD2 PRO 11 2HD PRO 11 1.291 -10.780 2.006
74 HD3 PRO 11 1HD PRO 11 1.952 -9.345 2.805
75 H VAL 12 HN VAL 12 2.871 -11.814 -0.102
76 HA VAL 12 HA VAL 12 4.285 -14.385 -0.419
77 HB VAL 12 HB VAL 12 1.531 -13.599 -1.405
78 HG11 VAL 12 1HG1 VAL 12 2.433 -15.405 -2.708
79 HG12 VAL 12 2HG1 VAL 12 1.327 -16.128 -1.540
80 HG13 VAL 12 3HG1 VAL 12 3.068 -16.204 -1.270
81 HG21 VAL 12 3HG2 VAL 12 1.606 -13.587 1.049
82 HG22 VAL 12 1HG2 VAL 12 2.396 -15.165 1.049
83 HG23 VAL 12 2HG2 VAL 12 0.732 -15.013 0.485
84 H LEU 13 HN LEU 13 3.694 -11.376 -1.893
85 HA LEU 13 HA LEU 13 4.630 -12.400 -4.488
86 HB2 LEU 13 2HB LEU 13 2.767 -11.322 -5.203
87 HB3 LEU 13 1HB LEU 13 2.640 -10.360 -3.745
88 HG LEU 13 HG LEU 13 4.420 -8.863 -4.549
89 HD11 LEU 13 1HD1 LEU 13 5.797 -9.485 -6.259
90 HD12 LEU 13 2HD1 LEU 13 4.411 -9.705 -7.326
91 HD13 LEU 13 3HD1 LEU 13 4.960 -11.031 -6.314
92 HD21 LEU 13 3HD2 LEU 13 2.157 -8.259 -5.097
93 HD22 LEU 13 1HD2 LEU 13 2.150 -9.321 -6.502
94 HD23 LEU 13 2HD2 LEU 13 3.184 -7.892 -6.478
95 H GLY 14 HN GLY 14 5.021 -9.810 -2.088
96 HA2 GLY 14 2HA GLY 14 7.374 -9.322 -1.471
97 HA3 GLY 14 1HA GLY 14 7.721 -9.285 -3.192
98 H ILE 15 HN ILE 15 4.719 -7.869 -2.764
99 HA ILE 15 HA ILE 15 5.654 -5.236 -1.980
100 HB ILE 15 HB ILE 15 4.841 -4.182 -4.089
101 HG12 ILE 15 2HG1 ILE 15 5.112 -6.814 -5.489
102 HG13 ILE 15 1HG1 ILE 15 3.607 -6.508 -4.637
103 HG21 ILE 15 1HG2 ILE 15 7.029 -6.191 -4.662
104 HG22 ILE 15 2HG2 ILE 15 7.279 -4.804 -3.603
105 HG23 ILE 15 3HG2 ILE 15 6.866 -4.553 -5.298
106 HD11 ILE 15 3HD1 ILE 15 3.921 -5.753 -7.156
107 HD12 ILE 15 1HD1 ILE 15 4.684 -4.354 -6.400
108 HD13 ILE 15 2HD1 ILE 15 3.012 -4.764 -6.013
109 H CYS 16 HN CYS 16 3.624 -3.668 -2.670
110 HA CYS 16 HA CYS 16 1.384 -4.813 -1.212
111 HB2 CYS 16 2HB CYS 16 1.484 -2.029 -2.327
112 HB3 CYS 16 1HB CYS 16 0.635 -2.616 -0.898
113 H THR 17 HN THR 17 -0.596 -5.204 -2.002
114 HA THR 17 HA THR 17 -1.028 -4.766 -4.900
115 HB THR 17 HB THR 17 -2.218 -6.905 -4.993
116 HG1 THR 17 1HG THR 17 -1.319 -7.993 -2.739
117 HG21 THR 17 3HG2 THR 17 -0.195 -8.380 -4.519
118 HG22 THR 17 1HG2 THR 17 0.600 -6.925 -3.919
119 HG23 THR 17 2HG2 THR 17 0.079 -7.014 -5.601
120 H ILE 18 HN ILE 18 -3.205 -4.442 -5.546
121 HA ILE 18 HA ILE 18 -4.706 -2.814 -3.869
122 HB ILE 18 HB ILE 18 -4.789 -3.089 -6.441
123 HG12 ILE 18 2HG1 ILE 18 -7.489 -2.935 -5.108
124 HG13 ILE 18 1HG1 ILE 18 -6.296 -1.662 -4.885
125 HG21 ILE 18 1HG2 ILE 18 -7.028 -4.980 -5.731
126 HG22 ILE 18 2HG2 ILE 18 -5.406 -5.568 -6.119
127 HG23 ILE 18 3HG2 ILE 18 -6.325 -4.659 -7.318
128 HD11 ILE 18 3HD1 ILE 18 -6.515 -0.891 -6.995
129 HD12 ILE 18 1HD1 ILE 18 -8.075 -1.711 -6.933
130 HD13 ILE 18 2HD1 ILE 18 -6.690 -2.510 -7.674
131 H THR 19 HN THR 19 -6.241 -3.161 -2.386
132 HA THR 19 HA THR 19 -6.726 -5.903 -1.549
133 HB THR 19 HB THR 19 -6.405 -4.560 0.317
134 HG1 THR 19 1HG THR 19 -8.967 -3.914 0.586
135 HG21 THR 19 3HG2 THR 19 -7.877 -2.316 0.363
136 HG22 THR 19 1HG2 THR 19 -7.685 -2.484 -1.382
137 HG23 THR 19 2HG2 THR 19 -6.262 -2.375 -0.341
138 H LEU 20 HN LEU 20 -8.796 -6.826 -1.296
139 HA LEU 20 HA LEU 20 -10.536 -6.552 -3.458
140 HB2 LEU 20 2HB LEU 20 -10.590 -7.949 -0.860
141 HB3 LEU 20 1HB LEU 20 -12.152 -7.673 -1.633
142 HG LEU 20 HG LEU 20 -11.322 -8.704 -3.713
143 HD11 LEU 20 1HD1 LEU 20 -9.056 -10.030 -3.259
144 HD12 LEU 20 2HD1 LEU 20 -8.771 -8.694 -2.143
145 HD13 LEU 20 3HD1 LEU 20 -9.031 -8.372 -3.857
146 HD21 LEU 20 3HD2 LEU 20 -11.590 -10.032 -1.151
147 HD22 LEU 20 1HD2 LEU 20 -10.554 -10.944 -2.244
148 HD23 LEU 20 2HD2 LEU 20 -12.194 -10.519 -2.733
149 H SER 21 HN SER 21 -10.400 -4.877 -0.412
150 HA SER 21 HA SER 21 -13.023 -3.905 -0.227
151 HB2 SER 21 2HB SER 21 -10.414 -2.600 0.583
152 HB3 SER 21 1HB SER 21 -12.009 -2.040 1.077
153 HG SER 21 HG SER 21 -10.593 -3.785 2.309
154 H ARG 22 HN ARG 22 -10.190 -2.589 -1.922
155 HA ARG 22 HA ARG 22 -11.550 -0.278 -2.913
156 HB2 ARG 22 2HB ARG 22 -9.059 -0.464 -2.673
157 HB3 ARG 22 1HB ARG 22 -9.060 -1.581 -4.043
158 HG2 ARG 22 2HG ARG 22 -9.991 0.117 -5.504
159 HG3 ARG 22 1HG ARG 22 -10.224 1.224 -4.151
160 HD2 ARG 22 2HD ARG 22 -7.759 1.218 -3.780
161 HD3 ARG 22 1HD ARG 22 -7.577 0.215 -5.210
162 HE ARG 22 HE ARG 22 -9.025 2.444 -6.014
163 HH11 ARG 22 1HH2 ARG 22 -5.944 1.703 -4.622
164 HH12 ARG 22 2HH2 ARG 22 -5.139 3.058 -5.340
165 HH21 ARG 22 1HH1 ARG 22 -7.975 4.224 -6.959
166 HH22 ARG 22 2HH1 ARG 22 -6.289 4.485 -6.662
167 H ILE 23 HN ILE 23 -10.959 -3.536 -4.091
168 HA ILE 23 HA ILE 23 -11.728 -3.168 -6.762
169 HB ILE 23 HB ILE 23 -12.014 -5.588 -4.987
170 HG12 ILE 23 2HG1 ILE 23 -9.689 -4.781 -5.265
171 HG13 ILE 23 1HG1 ILE 23 -9.921 -6.315 -6.095
172 HG21 ILE 23 1HG2 ILE 23 -12.830 -5.099 -7.757
173 HG22 ILE 23 2HG2 ILE 23 -13.249 -6.442 -6.687
174 HG23 ILE 23 3HG2 ILE 23 -11.736 -6.469 -7.596
175 HD11 ILE 23 3HD1 ILE 23 -8.863 -5.157 -7.793
176 HD12 ILE 23 1HD1 ILE 23 -9.440 -3.592 -7.228
177 HD13 ILE 23 2HD1 ILE 23 -10.508 -4.647 -8.138
178 H GLU 24 HN GLU 24 -13.672 -4.161 -4.016
179 HA GLU 24 HA GLU 24 -16.011 -2.882 -5.136
180 HB2 GLU 24 2HB GLU 24 -15.863 -5.895 -4.879
181 HB3 GLU 24 1HB GLU 24 -17.386 -5.017 -4.992
182 HG2 GLU 24 2HG GLU 24 -16.440 -3.966 -7.137
183 HG3 GLU 24 1HG GLU 24 -15.186 -5.198 -7.054
184 H HIS 25 HN HIS 25 -17.976 -4.016 -3.620
185 HA HIS 25 HA HIS 25 -18.935 -3.900 -1.549
186 HB2 HIS 25 2HB HIS 25 -16.420 -4.493 -0.106
187 HB3 HIS 25 1HB HIS 25 -17.990 -5.282 -0.019
188 HD2 HIS 25 2HD HIS 25 -14.619 -5.652 -1.873
189 HE1 HIS 25 1HE HIS 25 -17.192 -8.613 -3.416
190 HE2 HIS 25 2HE HIS 25 -14.797 -7.783 -3.375
191 HA PRO 26 HA PRO 26 -16.691 0.297 -1.029
192 HB2 PRO 26 2HB PRO 26 -19.414 1.292 -1.719
193 HB3 PRO 26 1HB PRO 26 -17.830 1.855 -2.282
194 HG2 PRO 26 2HG PRO 26 -19.428 0.473 -3.875
195 HG3 PRO 26 1HG PRO 26 -17.671 0.230 -3.899
196 HD2 PRO 26 2HD PRO 26 -19.795 -1.487 -2.654
197 HD3 PRO 26 1HD PRO 26 -18.325 -1.943 -3.531
198 H GLY 27 HN GLY 27 -19.979 -0.740 -0.160
199 HA2 GLY 27 2HA GLY 27 -20.262 0.954 2.098
200 HA3 GLY 27 1HA GLY 27 -21.225 -0.478 1.758
201 H ASN 28 HN ASN 28 -19.093 -2.381 1.717
202 HA ASN 28 HA ASN 28 -18.946 -3.049 4.440
203 HB2 ASN 28 2HB ASN 28 -17.392 -3.994 2.041
204 HB3 ASN 28 1HB ASN 28 -17.169 -4.685 3.647
205 HD21 ASN 28 1HD2 ASN 28 -18.168 -6.289 1.518
206 HD22 ASN 28 2HD2 ASN 28 -19.791 -6.668 1.836
207 H TYR 29 HN TYR 29 -16.631 -1.448 2.303
208 HA TYR 29 HA TYR 29 -14.906 -0.943 4.665
209 HB2 TYR 29 2HB TYR 29 -14.170 -0.921 1.730
210 HB3 TYR 29 1HB TYR 29 -13.069 -0.645 3.081
211 HD1 TYR 29 2HD TYR 29 -15.102 -3.137 1.299
212 HD2 TYR 29 1HD TYR 29 -12.388 -2.471 4.558
213 HE1 TYR 29 2HE TYR 29 -14.791 -5.581 1.532
214 HE2 TYR 29 1HE TYR 29 -12.067 -4.919 4.790
215 HH TYR 29 HH TYR 29 -13.862 -7.094 3.950
216 H ASP 30 HN ASP 30 -17.312 0.525 3.235
217 HA ASP 30 HA ASP 30 -17.929 2.697 2.785
218 HB2 ASP 30 2HB ASP 30 -17.322 2.763 5.234
219 HB3 ASP 30 1HB ASP 30 -15.742 3.384 4.755
220 H TYR 31 HN TYR 31 -16.198 1.705 0.870
221 HA TYR 31 HA TYR 31 -14.311 3.915 0.352
222 HB2 TYR 31 2HB TYR 31 -13.296 1.697 0.308
223 HB3 TYR 31 1HB TYR 31 -14.489 1.153 -0.872
224 HD1 TYR 31 1HD TYR 31 -11.829 3.727 -0.333
225 HD2 TYR 31 2HD TYR 31 -14.110 1.455 -3.176
226 HE1 TYR 31 1HE TYR 31 -10.412 4.603 -2.169
227 HE2 TYR 31 2HE TYR 31 -12.692 2.332 -5.013
228 HH TYR 31 HH TYR 31 -11.088 3.780 -5.564