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comparison CADDSuite-1.5/data/fragments/SER.db @ 7:bfab27640f5e draft

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CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:13:59 -0400
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6:decca54699e3 7:bfab27640f5e
1 <node>SER
2 <node>Names
3 <node>Serine</node>
4 <node>Serin</node>
5 <node>Ser</node>
6 <node>S</node>
7 </node>
8 <node>Atoms
9 <node>N<value>N 0.1130663 1.226434 -0.1468897</value></node>
10 <node>3H<value>H 0.8968111 1.837972 0.05464922</value></node>
11 <node>CA<value>C -0.7048293 1.905604 -1.168307</value></node>
12 <node>HA<value>H -0.2017423 1.780946 -2.128185</value></node>
13 <node>C<value>C -0.7701361 3.410257 -0.8778276</value></node>
14 <node>O<value>O 0.1488766 3.858471 -0.1539113</value></node>
15 <node>CB<value>C -2.088618 1.24965 -1.250489</value></node>
16 <node>1HB<value>H -1.956628 0.1725609 -1.368818</value></node>
17 <node>2HB<value>H -2.637483 1.435655 -0.3253672</value></node>
18 <node>OG<value>O -2.817839 1.744102 -2.356831</value></node>
19 <node>HG<value>H -3.648096 1.264079 -2.429246</value></node>
20 <node>OXT<value>O -1.487331 4.10633 -1.629405</value></node>
21 <node>1H<value>H -0.4311985 1.10388 0.6950446</value></node>
22 <node>2H<value>H 0.4303224 0.3296314 -0.4862972</value></node>
23 </node>
24 <node>Bonds
25 <node>5<value>3H N s</value></node>
26 <node>6<value>CA N s</value></node>
27 <node>10<value>HA CA s</value></node>
28 <node>11<value>C CA s</value></node>
29 <node>14<value>O C d</value></node>
30 <node>15<value>CB CA s</value></node>
31 <node>19<value>1HB CB s</value></node>
32 <node>20<value>2HB CB s</value></node>
33 <node>21<value>OG CB s</value></node>
34 <node>23<value>HG OG s</value></node>
35 <node>24<value>OXT C s</value></node>
36 <node>25<value>1H N s</value></node>
37 <node>26<value>2H N s</value></node>
38 </node>
39 <node>Connections
40 <node>N-term<value>N C-term s 1.33 0.5</value></node>
41 <node>C-term<value>C N-term s 1.33 0.5</value></node>
42 </node>
43 <node>Properties
44 <node>AMINO_ACID</node>
45 </node>
46 <node>Variants
47 <node>Default
48 <node>Delete
49 <node>OXT</node>
50 <node>1H</node>
51 <node>2H</node>
52 </node>
53 <node>Rename
54 <node>3H<value>H</value></node>
55 </node>
56 </node>
57 <node>SER-M
58 <node>Properties
59 <node>N_TERMINAL</node>
60 <node>C_TERMINAL</node>
61 </node>
62 </node>
63 <node>SER-N
64 <node>Delete
65 <node>OXT</node>
66 </node>
67 <node>Properties
68 <node>N_TERMINAL</node>
69 </node>
70 </node>
71 <node>SER-C
72 <node>Delete
73 <node>1H</node>
74 <node>2H</node>
75 </node>
76 <node>Rename
77 <node>3H<value>H</value></node>
78 </node>
79 <node>Properties
80 <node>C_TERMINAL</node>
81 </node>
82 </node>
83 </node>
84 </node>