annotate galaxy-tools/test-data/rdock/1sj0_rdock.mol2 @ 0:4eb3f9cb2a51 draft

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author dzesikah
date Fri, 26 Aug 2016 09:53:37 -0400
parents
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1 @<TRIPOS>MOLECULE
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2 A_1SJ0_PROTEIN
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3 3920 3957 0 0 0
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4 SMALL
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5 USER_CHARGES
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6
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7 @<TRIPOS>ATOM
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parents:
diff changeset
1839 1832 HG1 39.4111 5.7601 36.2144 H 117 GLU423117 1.0000
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dzesikah
parents:
diff changeset
1840 1833 HG2 39.1576 7.3992 36.7075 H 117 GLU423117 1.0000
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dzesikah
parents:
diff changeset
1841 1834 CD 40.6680 7.1430 35.3000 C.2 117 GLU423117 1.0000
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dzesikah
parents:
diff changeset
1842 1835 OE1 40.7480 7.9750 34.3690 O.co2 117 GLU423117 1.0000
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dzesikah
parents:
diff changeset
1843 1836 OE2 41.6520 6.5880 35.8380 O.co2 117 GLU423117 1.0000
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dzesikah
parents:
diff changeset
1844 1837 N 35.4460 5.7210 33.6380 N.am 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1845 1838 HN 36.1321 4.9547 33.5839 H 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1846 1839 CA 34.2880 5.6740 32.7600 C.3 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1847 1840 HA 34.1680 6.6168 32.2263 H 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1848 1841 C 33.0120 5.4150 33.5580 C.2 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1849 1842 O 31.9840 6.0640 33.3670 O.2 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1850 1843 CB 34.4360 4.5790 31.6860 C.3 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1851 1844 HB 34.3147 3.5973 32.1439 H 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1852 1845 CG1 35.8240 4.4730 31.0620 C.3 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1853 1846 HG11 35.9369 3.4663 30.6596 H 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1854 1847 HG12 36.5602 4.6641 31.8427 H 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1855 1848 CG2 33.3760 4.7670 30.6150 C.3 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1856 1849 HG21 33.4832 3.9912 29.8569 H 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1857 1850 HG22 32.3863 4.6987 31.0666 H 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1858 1851 HG23 33.4966 5.7462 30.1516 H 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1859 1852 CD1 36.1030 5.4380 29.9380 C.3 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1860 1853 HD11 37.1149 5.2796 29.5652 H 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1861 1854 HD12 35.3891 5.2729 29.1311 H 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1862 1855 HD13 36.0070 6.4603 30.3038 H 118 ILE424118 1.0000
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dzesikah
parents:
diff changeset
1863 1856 N 33.0790 4.4560 34.4770 N.am 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1864 1857 HN 33.9524 3.9175 34.5662 H 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1865 1858 CA 31.9670 4.1360 35.3630 C.3 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1866 1859 HA 31.1501 3.6919 34.7942 H 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1867 1860 C 31.4580 5.4050 36.0480 C.2 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1868 1861 O 30.2640 5.7020 36.0640 O.2 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1869 1862 CB 32.3810 3.1440 36.4480 C.3 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1870 1863 HB1 31.8185 3.3920 37.3481 H 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1871 1864 HB2 33.4536 3.2598 36.6034 H 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1872 1865 CG 32.1440 1.6710 36.1890 C.ar 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1873 1866 CD1 31.7120 0.8340 37.2050 C.ar 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1874 1867 HD1 31.5425 1.2425 38.2013 H 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1875 1868 CD2 32.3560 1.1150 34.9380 C.ar 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1876 1869 HD2 32.6990 1.7530 34.1235 H 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1877 1870 CE1 31.4930 -0.5090 36.9750 C.ar 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1878 1871 HE1 31.1401 -1.1460 37.7860 H 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1879 1872 CE2 32.1430 -0.2290 34.6980 C.ar 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1880 1873 HE2 32.3095 -0.6404 33.7025 H 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1881 1874 CZ 31.7170 -1.0510 35.7280 C.ar 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1882 1875 HZ 31.5605 -2.1156 35.5541 H 119 PHE425119 1.0000
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dzesikah
parents:
diff changeset
1883 1876 N 32.4210 6.1190 36.6160 N.am 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1884 1877 HN 33.3982 5.8134 36.5040 H 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1885 1878 CA 32.1440 7.3240 37.3950 C.3 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1886 1879 HA 31.5218 7.0964 38.2606 H 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1887 1880 C 31.4110 8.3650 36.5530 C.2 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1888 1881 O 30.4800 9.0200 37.0200 O.2 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1889 1882 CB 33.4430 7.8730 37.9860 C.3 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1890 1883 HB1 33.3501 8.9066 38.3193 H 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1891 1884 HB2 34.2683 7.8592 37.2741 H 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1892 1885 CG 33.9180 7.0830 39.1950 C.2 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1893 1886 OD1 33.1080 6.3670 39.8130 O.co2 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1894 1887 OD2 35.1140 7.1650 39.5540 O.co2 120 ASP426120 1.0000
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dzesikah
parents:
diff changeset
1895 1888 N 31.7830 8.5250 35.2940 N.am 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1896 1889 HN 32.6034 8.0105 34.9431 H 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1897 1890 CA 31.0600 9.4120 34.3910 C.3 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1898 1891 HA 30.9602 10.3850 34.8720 H 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1899 1892 C 29.6620 8.9250 34.0320 C.2 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1900 1893 O 28.7030 9.7030 34.0770 O.2 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1901 1894 CB 31.9040 9.5720 33.1210 C.3 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1902 1895 HB1 31.3202 10.0067 32.3097 H 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1903 1896 HB2 32.2844 8.6110 32.7746 H 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1904 1897 CG 33.1040 10.4820 33.3640 C.3 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1905 1898 HG1 33.7322 10.0355 34.1348 H 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1906 1899 HG2 32.7438 11.4574 33.6910 H 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1907 1900 SD 34.0300 10.6450 31.8240 S.3 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1908 1901 CE 34.4190 8.9240 31.5390 C.3 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1909 1902 HE1 34.9960 8.8289 30.6192 H 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1910 1903 HE2 35.0032 8.5397 32.3751 H 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1911 1904 HE3 33.4954 8.3523 31.4486 H 121 MET427121 1.0000
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dzesikah
parents:
diff changeset
1912 1905 N 29.5380 7.6490 33.6790 N.am 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1913 1906 HN 30.3883 7.0779 33.5712 H 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1914 1907 CA 28.2380 7.0300 33.4390 C.3 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1915 1908 HA 27.7253 7.4817 32.5898 H 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1916 1909 C 27.3150 7.1680 34.6430 C.2 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1917 1910 O 26.1790 7.6530 34.5620 O.2 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1918 1911 CB 28.4520 5.5530 33.0610 C.3 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1919 1912 HB1 27.4743 5.0729 33.0205 H 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1920 1913 HB2 29.0791 5.0987 33.8281 H 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1921 1914 CG 29.1330 5.2980 31.7160 C.3 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1922 1915 HG 30.0061 5.9326 31.5644 H 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1923 1916 CD1 29.6160 3.8670 31.5730 C.3 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1924 1917 HD11 30.0918 3.7390 30.6007 H 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1925 1918 HD12 30.3357 3.6454 32.3611 H 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1926 1919 HD13 28.7681 3.1869 31.6543 H 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1927 1920 CD2 28.1750 5.6370 30.5700 C.3 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1928 1921 HD21 28.6690 5.4522 29.6161 H 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1929 1922 HD22 27.2841 5.0134 30.6440 H 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1930 1923 HD23 27.8893 6.6870 30.6332 H 122 LEU428122 1.0000
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dzesikah
parents:
diff changeset
1931 1924 N 27.7560 6.7590 35.8270 N.am 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1932 1925 HN 28.6875 6.3255 35.8993 H 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1933 1926 CA 26.9380 6.9150 37.0310 C.3 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1934 1927 HA 25.9993 6.3628 36.9867 H 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1935 1928 C 26.5480 8.3580 37.3070 C.2 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1936 1929 O 25.4670 8.7020 37.7870 O.2 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1937 1930 CB 27.6910 6.3520 38.2430 C.3 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1938 1931 HB1 27.1075 6.6031 39.1287 H 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1939 1932 HB2 28.6727 6.8254 38.2596 H 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1940 1933 CG 27.9470 4.8510 38.3200 C.3 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1941 1934 HG 28.1191 4.4472 37.3223 H 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1942 1935 CD1 29.1740 4.5700 39.1810 C.3 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1943 1936 HD11 29.3467 3.4948 39.2285 H 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1944 1937 HD12 30.0449 5.0584 38.7438 H 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1945 1938 HD13 29.0087 4.9557 40.1870 H 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1946 1939 CD2 26.7470 4.1030 38.8860 C.3 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1947 1940 HD21 26.9684 3.0364 38.9250 H 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1948 1941 HD22 26.5330 4.4661 39.8912 H 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1949 1942 HD23 25.8796 4.2704 38.2474 H 123 LEU429123 1.0000
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dzesikah
parents:
diff changeset
1950 1943 N 27.4250 9.3240 37.0200 N.am 124 ALA430124 1.0000
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dzesikah
parents:
diff changeset
1951 1944 HN 28.3545 9.1109 36.6307 H 124 ALA430124 1.0000
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dzesikah
parents:
diff changeset
1952 1945 CA 27.0020 10.6980 37.2850 C.3 124 ALA430124 1.0000
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dzesikah
parents:
diff changeset
1953 1946 HA 26.5703 10.7707 38.2832 H 124 ALA430124 1.0000
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dzesikah
parents:
diff changeset
1954 1947 C 25.9560 11.1300 36.2630 C.2 124 ALA430124 1.0000
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dzesikah
parents:
diff changeset
1955 1948 O 25.0500 11.9030 36.5640 O.2 124 ALA430124 1.0000
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dzesikah
parents:
diff changeset
1956 1949 CB 28.2010 11.6340 37.2820 C.3 124 ALA430124 1.0000
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dzesikah
parents:
diff changeset
1957 1950 HB1 27.8679 12.6526 37.4809 H 124 ALA430124 1.0000
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dzesikah
parents:
diff changeset
1958 1951 HB2 28.9055 11.3253 38.0544 H 124 ALA430124 1.0000
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dzesikah
parents:
diff changeset
1959 1952 HB3 28.6900 11.5957 36.3086 H 124 ALA430124 1.0000
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dzesikah
parents:
diff changeset
1960 1953 N 26.0600 10.6330 35.0290 N.am 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1961 1954 HN 26.8519 10.0243 34.7773 H 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1962 1955 CA 25.0360 10.9630 34.0380 C.3 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1963 1956 HA 24.9570 12.0413 33.8998 H 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1964 1957 C 23.6710 10.4480 34.4690 C.2 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1965 1958 O 22.6510 11.1100 34.3530 O.2 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1966 1959 CB 25.3910 10.3470 32.6740 C.3 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1967 1960 HB 25.2882 9.2621 32.6958 H 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1968 1961 OG1 26.7280 10.7340 32.3340 O.3 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1969 1962 HG1 27.3111 10.7385 33.1831 H 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1970 1963 CG2 24.4820 10.8780 31.5840 C.3 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1971 1964 HG21 24.7550 10.4261 30.6304 H 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1972 1965 HG22 23.4472 10.6298 31.8202 H 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1973 1966 HG23 24.5890 11.9606 31.5163 H 125 THR431125 1.0000
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dzesikah
parents:
diff changeset
1974 1967 N 23.6860 9.2130 34.9630 N.am 126 SER432126 1.0000
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dzesikah
parents:
diff changeset
1975 1968 HN 24.5831 8.7100 35.0191 H 126 SER432126 1.0000
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dzesikah
parents:
diff changeset
1976 1969 CA 22.4840 8.5530 35.4240 C.3 126 SER432126 1.0000
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dzesikah
parents:
diff changeset
1977 1970 HA 21.7594 8.4246 34.6199 H 126 SER432126 1.0000
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dzesikah
parents:
diff changeset
1978 1971 C 21.7880 9.3490 36.5340 C.2 126 SER432126 1.0000
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dzesikah
parents:
diff changeset
1979 1972 O 20.5640 9.4470 36.5590 O.2 126 SER432126 1.0000
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dzesikah
parents:
diff changeset
1980 1973 CB 22.8220 7.1570 35.9570 C.3 126 SER432126 1.0000
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dzesikah
parents:
diff changeset
1981 1974 HB1 23.1745 7.2398 36.9851 H 126 SER432126 1.0000
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dzesikah
parents:
diff changeset
1982 1975 HB2 23.6011 6.7138 35.3368 H 126 SER432126 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1983 1976 OG 21.6560 6.3430 35.9150 O.3 126 SER432126 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1984 1977 HG 20.8187 6.9425 35.8958 H 126 SER432126 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1985 1978 N 22.6260 9.8610 37.4140 N.am 127 SER433127 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1986 1979 HN 23.6253 9.6383 37.3016 H 127 SER433127 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1987 1980 CA 22.2520 10.7160 38.5320 C.3 127 SER433127 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1988 1981 HA 21.5866 10.1774 39.2067 H 127 SER433127 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1989 1982 C 21.5350 11.9620 38.0190 C.2 127 SER433127 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1990 1983 O 20.4690 12.3560 38.4940 O.2 127 SER433127 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1991 1984 CB 23.5070 11.0570 39.3390 C.3 127 SER433127 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1992 1985 HB1 24.0922 11.8699 38.9091 H 127 SER433127 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1993 1986 HB2 24.2027 10.2232 39.4331 H 127 SER433127 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1994 1987 OG 23.2310 11.4610 40.6670 O.3 127 SER433127 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1995 1988 HG 23.4411 12.4639 40.7720 H 127 SER433127 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1996 1989 N 22.1060 12.6050 37.0030 N.am 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1997 1990 HN 22.9995 12.2541 36.6295 H 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1998 1991 CA 21.5050 13.7930 36.4010 C.3 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
1999 1992 HA 21.3673 14.5980 37.1228 H 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2000 1993 C 20.1340 13.5080 35.8050 C.2 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2001 1994 O 19.1650 14.2480 36.0040 O.2 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2002 1995 CB 22.4730 14.3310 35.3470 C.3 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2003 1996 HB1 22.7038 13.5231 34.6526 H 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2004 1997 HB2 23.3750 14.6718 35.8553 H 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2005 1998 CG 21.9410 15.4920 34.5350 C.3 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2006 1999 HG1 20.8951 15.3432 34.2667 H 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2007 2000 HG2 22.5018 15.6194 33.6091 H 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2008 2001 CD 22.0330 16.7970 35.3080 C.3 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2009 2002 HD1 23.0749 17.0139 35.5437 H 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2010 2003 HD2 21.4659 16.7176 36.2354 H 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2011 2004 NE 21.4850 17.8910 34.5020 N.pl3 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2012 2005 HE 21.7985 17.9687 33.5239 H 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2013 2006 CZ 20.6140 18.7880 34.9430 C.cat 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2014 2007 NH1 20.1830 18.7260 36.2000 N.pl3 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2015 2008 HH11 19.5063 19.4206 36.5472 H 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2016 2009 HH12 20.5259 17.9833 36.8259 H 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2017 2010 NH2 20.1740 19.7470 34.1370 N.pl3 128 ARG434128 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
2018 2011 HH21 19.4973 20.4415 34.4844 H 128 ARG434128 1.0000
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dzesikah
parents:
diff changeset
2019 2012 HH22 20.5094 19.7965 33.1644 H 128 ARG434128 1.0000
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dzesikah
parents:
diff changeset
2020 2013 N 20.0210 12.4190 35.0480 N.am 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2021 2014 HN 20.8557 11.8416 34.8724 H 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2022 2015 CA 18.7410 12.0200 34.4580 C.3 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2023 2016 HA 18.3642 12.7845 33.7785 H 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2024 2017 C 17.6830 11.7950 35.5340 C.2 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2025 2018 O 16.5140 12.1790 35.4510 O.2 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2026 2019 CB 18.9370 10.7590 33.6160 C.3 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2027 2020 HB1 17.9679 10.2693 33.5197 H 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2028 2021 HB2 19.6502 10.1194 34.1359 H 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2029 2022 CG 19.4690 10.9620 32.2130 C.ar 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
2036 2029 CE2 20.0500 12.3910 30.3660 C.ar 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2037 2030 HE2 20.1140 13.3925 29.9405 H 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2038 2031 CZ 20.4550 11.3020 29.6150 C.ar 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
2039 2032 HZ 20.8430 11.4418 28.6060 H 129 PHE435129 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
2043 2036 HA 16.3825 10.2276 37.4018 H 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
2045 2038 O 15.4100 12.3780 38.3030 O.2 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2046 2039 CB 17.9760 10.1410 38.8200 C.3 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
2048 2041 HB2 18.6998 9.4858 38.3353 H 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2049 2042 CG 17.1520 9.2790 39.7560 C.3 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2050 2043 HG1 16.6418 8.4953 39.1960 H 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2051 2044 HG2 16.4048 9.8856 40.2676 H 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2052 2045 CD 18.0490 8.6280 40.7990 C.3 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
2054 2047 HD2 18.4960 9.3641 41.4672 H 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2055 2048 NE 19.1480 7.8870 40.1860 N.pl3 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2056 2049 HE 18.9282 7.3060 39.3644 H 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2057 2050 CZ 20.4050 7.9030 40.6030 C.cat 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2058 2051 NH1 20.7430 8.6380 41.6550 N.pl3 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2059 2052 HH11 21.7199 8.6519 41.9810 H 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2060 2053 HH12 20.0284 9.1946 42.1454 H 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2061 2054 NH2 21.3230 7.1850 39.9680 N.pl3 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2062 2055 HH21 22.3007 7.1969 40.2917 H 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2063 2056 HH22 21.0576 6.6158 39.1516 H 130 ARG436130 1.0000
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dzesikah
parents:
diff changeset
2064 2057 N 17.5450 13.0440 38.6370 N.am 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2065 2058 HN 18.5277 12.7520 38.5373 H 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2066 2059 CA 17.3030 14.3670 39.1790 C.3 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2067 2060 HA 16.7712 14.3388 40.1300 H 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2068 2061 C 16.4640 15.2370 38.2480 C.2 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2069 2062 O 15.7530 16.1340 38.7090 O.2 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2070 2063 CB 18.6540 15.0380 39.4600 C.3 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2071 2064 HB1 19.3799 14.6590 38.7406 H 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2072 2065 HB2 18.9546 14.7880 40.4774 H 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2073 2066 CG 18.6390 16.5510 39.3440 C.3 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2074 2067 HG1 17.8036 17.0083 39.8741 H 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2075 2068 HG2 18.5624 16.8962 38.3129 H 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2076 2069 SD 20.1270 17.3200 40.0120 S.3 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2077 2070 CE 19.4000 18.4250 41.2220 C.3 131 MET437131 1.0000
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dzesikah
parents:
diff changeset
2078 2071 HE1 20.1896 18.9798 41.7288 H 131 MET437131 1.0000
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dzesikah
parents:
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parents:
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parents:
diff changeset
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parents:
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dzesikah
parents:
diff changeset
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dzesikah
parents:
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2084 2077 HA 15.6083 16.7723 36.3685 H 132 MET438132 1.0000
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dzesikah
parents:
diff changeset
2085 2078 C 14.4180 15.0980 35.7500 C.2 132 MET438132 1.0000
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dzesikah
parents:
diff changeset
2086 2079 O 13.5860 15.6800 35.0620 O.2 132 MET438132 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
2088 2081 HB1 15.6635 16.1111 33.8893 H 132 MET438132 1.0000
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parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
2091 2084 HG1 18.3668 16.6188 35.1317 H 132 MET438132 1.0000
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parents:
diff changeset
2092 2085 HG2 17.1415 17.8709 34.7973 H 132 MET438132 1.0000
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parents:
diff changeset
2093 2086 SD 18.0770 16.9750 32.7710 S.3 132 MET438132 1.0000
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dzesikah
parents:
diff changeset
2094 2087 CE 16.5510 17.5080 31.9810 C.3 132 MET438132 1.0000
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dzesikah
parents:
diff changeset
2095 2088 HE1 16.7119 17.6053 30.9073 H 132 MET438132 1.0000
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parents:
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parents:
diff changeset
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dzesikah
parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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diff changeset
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parents:
diff changeset
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diff changeset
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parents:
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parents:
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3242 3235 HD23 19.1889 17.4171 23.2595 H 202 LEU508202 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3243 3236 N 22.1980 19.6230 26.3660 N.am 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3244 3237 HN 21.3778 19.9980 26.8636 H 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3245 3238 CA 23.5550 19.7960 26.8900 C.3 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3246 3239 HA 24.2349 20.1042 26.0957 H 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3247 3240 C 24.0670 18.4950 27.4810 C.2 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3248 3241 O 25.2670 18.2650 27.5830 O.2 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3249 3242 CB 23.5750 20.9100 27.9390 C.3 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3250 3243 HB1 24.4787 20.8996 28.5484 H 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3251 3244 HB2 22.7411 20.8464 28.6380 H 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3252 3245 CG 23.5000 22.3130 27.3180 C.3 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3253 3246 HG 22.5696 22.4233 26.7609 H 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3254 3247 CD1 23.5500 23.3640 28.4090 C.3 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3255 3248 HD11 23.4964 24.3563 27.9611 H 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3256 3249 HD12 22.7073 23.2257 29.0864 H 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3257 3250 HD13 24.4823 23.2670 28.9653 H 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3258 3251 CD2 24.6160 22.4610 26.2970 C.3 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3259 3252 HD21 24.5711 23.4543 25.8503 H 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3260 3253 HD22 25.5794 22.3277 26.7891 H 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3261 3254 HD23 24.4990 21.7074 25.5182 H 203 LEU509203 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3262 3255 N 23.1250 17.6390 27.8700 N.am 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3263 3256 HN 22.1312 17.9040 27.8148 H 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3264 3257 CA 23.5060 16.3210 28.3760 C.3 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3265 3258 HA 24.1831 16.4404 29.2218 H 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3266 3259 C 24.2010 15.5400 27.2740 C.2 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3267 3260 O 25.1380 14.7720 27.4810 O.2 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3268 3261 CB 22.2690 15.5760 28.9060 C.3 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3269 3262 HB 21.3746 15.8091 28.3282 H 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3270 3263 CG1 21.8820 16.0270 30.3220 C.3 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3271 3264 HG11 21.9281 17.1064 30.4663 H 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3272 3265 HG12 22.5185 15.6121 31.1036 H 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3273 3266 CG2 22.4480 14.0720 28.8530 C.3 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3274 3267 HG21 21.5513 13.5851 29.2364 H 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3275 3268 HG22 22.6165 13.7618 27.8218 H 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3276 3269 HG23 23.3051 13.7859 29.4626 H 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3277 3270 CD1 20.4790 15.6420 30.7190 C.3 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3278 3271 HD11 20.2776 15.9939 31.7308 H 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3279 3272 HD12 19.7680 16.0960 30.0287 H 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3280 3273 HD13 20.3759 14.5574 30.6849 H 204 ILE510204 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3281 3274 N 23.7300 15.7430 26.0510 N.am 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3282 3275 HN 22.9453 16.3953 25.9106 H 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3283 3276 CA 24.3090 15.0540 24.9000 C.3 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3284 3277 HA 24.2255 13.9704 24.9826 H 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3285 3278 C 25.7900 15.3630 24.7280 C.2 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3286 3279 O 26.5480 14.5890 24.1490 O.2 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3287 3280 CB 23.5460 15.4320 23.6300 C.3 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3288 3281 HB1 24.1114 15.0500 22.7800 H 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3289 3282 HB2 23.4735 16.5192 23.6006 H 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3290 3283 CG 22.1240 14.8950 23.4860 C.3 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3291 3284 HG 21.4371 15.5923 23.9656 H 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3292 3285 CD1 21.7970 14.7690 22.0010 C.3 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3293 3286 HD11 20.7833 14.3862 21.8829 H 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3294 3287 HD12 21.8726 15.7478 21.5274 H 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3295 3288 HD13 22.5011 14.0829 21.5303 H 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3296 3289 CD2 21.9360 13.5660 24.1930 C.3 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3297 3290 HD21 20.9088 13.2259 24.0614 H 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3298 3291 HD22 22.6191 12.8292 23.7704 H 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3299 3292 HD23 22.1449 13.6866 25.2560 H 205 LEU511205 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3300 3293 N 26.2360 16.5090 25.2310 N.am 206 SER512206 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3301 3294 HN 25.5848 17.1682 25.6806 H 206 SER512206 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3302 3295 CA 27.6570 16.8240 25.1400 C.3 206 SER512206 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3303 3296 HA 28.0345 16.6151 24.1390 H 206 SER512206 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3304 3297 C 28.4550 15.9950 26.1310 C.2 206 SER512206 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3305 3298 O 29.6040 15.6270 25.8770 O.2 206 SER512206 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3306 3299 CB 27.9010 18.3190 25.3630 C.3 206 SER512206 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3307 3300 HB1 26.9877 18.7929 25.7228 H 206 SER512206 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3308 3301 HB2 28.2016 18.7882 24.4262 H 206 SER512206 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3309 3302 OG 28.9250 18.5000 26.3210 O.3 206 SER512206 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3310 3303 HG 29.2983 19.4572 26.2486 H 206 SER512206 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3311 3304 N 27.8930 15.6550 27.2790 N.am 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3312 3305 HN 26.9626 16.0178 27.5312 H 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3313 3306 CA 28.6120 14.7530 28.1910 C.3 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3314 3307 HA 29.6378 15.0708 28.3774 H 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3315 3308 C 28.7050 13.3280 27.6600 C.2 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3316 3309 O 29.6640 12.5900 27.8950 O.2 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3317 3310 CB 27.9000 14.7820 29.5520 C.3 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3318 3311 HB1 28.3487 14.1004 30.2746 H 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3319 3312 HB2 26.8493 14.5004 29.4817 H 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3320 3313 CG 27.9260 16.1380 30.1870 C.ar 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3321 3314 ND1 26.8000 16.9100 30.3630 N.ar 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3322 3315 CD2 28.9490 16.8660 30.6920 C.ar 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3323 3316 HD2 29.9975 16.5699 30.7231 H 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3324 3317 CE1 27.1190 18.0490 30.9460 C.ar 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3325 3318 HE1 26.4287 18.8512 31.2070 H 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3326 3319 NE2 28.4240 18.0460 31.1580 N.ar 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3327 3320 HE2 28.9600 18.8058 31.6010 H 207 HIS513207 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3328 3321 N 27.7020 12.8900 26.9150 N.am 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3329 3322 HN 26.9327 13.5359 26.6869 H 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3330 3323 CA 27.6490 11.5180 26.4040 C.3 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3331 3324 HA 27.9000 10.8283 27.2099 H 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3332 3325 C 28.6460 11.3730 25.2720 C.2 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3333 3326 O 29.3090 10.3610 25.0600 O.2 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3334 3327 CB 26.2190 11.1410 25.9600 C.3 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3335 3328 HB 25.7227 11.9487 25.4219 H 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3336 3329 CG1 25.2560 10.9110 27.1330 C.3 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3337 3330 HG11 25.4989 11.6229 27.9218 H 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3338 3331 HG12 25.3846 9.8884 27.4878 H 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3339 3332 CG2 26.1960 9.9320 25.0320 C.3 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3340 3333 HG21 25.1670 9.7095 24.7498 H 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3341 3334 HG22 26.7788 10.1493 24.1369 H 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3342 3335 HG23 26.6258 9.0715 25.5448 H 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3343 3336 CD1 23.8010 11.0960 26.7770 C.3 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3344 3337 HD11 23.1851 10.9161 27.6582 H 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3345 3338 HD12 23.6396 12.1143 26.4232 H 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3346 3339 HD13 23.5260 10.3914 25.9922 H 208 ILE514208 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3347 3340 N 28.7730 12.4620 24.5020 N.am 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3348 3341 HN 28.1580 13.2803 24.6163 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3349 3342 CA 29.8280 12.4300 23.4920 C.3 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3350 3343 HA 29.6643 11.5890 22.8181 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3351 3344 C 31.1810 12.2750 24.1710 C.2 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3352 3345 O 32.0840 11.5500 23.7350 O.2 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3353 3346 CB 29.7400 13.7040 22.6410 C.3 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3354 3347 HB1 29.9166 14.5888 23.2526 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3355 3348 HB2 28.7539 13.7958 22.1857 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3356 3349 CG 30.7850 13.6800 21.5200 C.3 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3357 3350 HG1 31.6793 13.1756 21.8861 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3358 3351 HG2 31.0201 14.7065 21.2388 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3359 3352 CD 30.2050 12.9250 20.3250 C.3 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3360 3353 HD1 29.4997 12.1670 20.6656 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3361 3354 HD2 31.0028 12.4356 19.7663 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3362 3355 NE 29.5080 13.8490 19.4360 N.pl3 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3363 3356 HE 28.7413 14.4084 19.8362 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3364 3357 CZ 29.7880 14.0220 18.1520 C.cat 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3365 3358 NH1 30.7650 13.3110 17.6140 N.pl3 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3366 3359 HH11 30.9998 13.4292 16.6181 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3367 3360 HH12 31.2911 12.6393 18.1910 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3368 3361 NH2 29.1000 14.8860 17.4230 N.pl3 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3369 3362 HH21 29.3254 15.0131 16.4260 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3370 3363 HH22 28.3390 15.4313 17.8526 H 209 ARG515209 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3371 3364 N 31.3480 12.9690 25.2970 N.am 210 HIS516210 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3372 3365 HN 30.5574 13.5214 25.6586 H 210 HIS516210 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3373 3366 CA 32.6030 12.9780 26.0370 C.3 210 HIS516210 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3374 3367 HA 33.4298 13.3143 25.4113 H 210 HIS516210 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3375 3368 C 32.9520 11.5900 26.5510 C.2 210 HIS516210 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3376 3369 O 34.0750 11.1080 26.4150 O.2 210 HIS516210 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3377 3370 CB 32.5330 13.9780 27.1970 C.3 210 HIS516210 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3378 3371 HB1 31.7749 13.6336 27.9004 H 210 HIS516210 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3379 3372 HB2 32.2656 14.9539 26.7918 H 210 HIS516210 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3380 3373 CG 33.8160 14.1360 27.9530 C.ar 210 HIS516210 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3381 3374 ND1 34.9250 14.7870 27.4780 N.ar 210 HIS516210 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3382 3375 CD2 34.1660 13.7120 29.1930 C.ar 210 HIS516210 1.0000
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dzesikah
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3526 3519 HD22 36.4243 -1.5578 25.0780 H 219 LEU525219 1.0000
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dzesikah
parents:
diff changeset
3527 3520 HD23 37.0588 -0.2708 26.1306 H 219 LEU525219 1.0000
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dzesikah
parents:
diff changeset
3528 3521 N 40.4370 1.3590 22.8460 N.am 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3529 3522 HN 39.9428 2.2600 22.9160 H 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3530 3523 CA 41.6220 1.2240 21.9950 C.3 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3531 3524 HA 41.5179 0.3279 21.3832 H 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3532 3525 C 42.8650 1.1090 22.8870 C.2 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3533 3526 O 43.5430 2.1090 23.1080 O.2 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3534 3527 CB 41.7810 2.3750 21.0120 C.3 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3535 3528 HB1 42.7331 2.2504 20.4961 H 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3536 3529 HB2 41.7656 3.3071 21.5768 H 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3537 3530 CG 40.7040 2.4700 19.9550 C.ar 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3538 3531 CD1 40.8130 3.3840 18.9140 C.ar 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3539 3532 HD1 41.6843 4.0369 18.8631 H 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3540 3533 CD2 39.5760 1.6590 19.9910 C.ar 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3541 3534 HD2 39.4657 0.9368 20.8000 H 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3542 3535 CE1 39.8350 3.4790 17.9420 C.ar 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3543 3536 HE1 39.9383 4.2007 17.1317 H 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3544 3537 CE2 38.5920 1.7460 19.0270 C.ar 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3545 3538 HE2 37.7152 1.1003 19.0759 H 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3546 3539 CZ 38.7290 2.6590 18.0000 C.ar 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3547 3540 OH 37.7560 2.7550 17.0340 O.3 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3548 3541 HH 37.5804 3.7472 16.8203 H 220 TYR526220 1.0000
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dzesikah
parents:
diff changeset
3549 3542 N 43.0980 -0.0980 23.3560 N.am 221 SER527221 1.0000
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dzesikah
parents:
diff changeset
3550 3543 HN 42.4088 -0.8191 23.0994 H 221 SER527221 1.0000
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dzesikah
parents:
diff changeset
3551 3544 CA 44.1960 -0.5440 24.1850 C.3 221 SER527221 1.0000
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dzesikah
parents:
diff changeset
3552 3545 HA 45.0270 -0.8723 23.5607 H 221 SER527221 1.0000
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dzesikah
parents:
diff changeset
3553 3546 C 43.7490 -1.7100 25.0650 C.2 221 SER527221 1.0000
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dzesikah
parents:
diff changeset
3554 3547 O 44.1050 -1.7320 26.2410 O.2 221 SER527221 1.0000
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dzesikah
parents:
diff changeset
3555 3548 CB 44.7350 0.5540 25.0980 C.3 221 SER527221 1.0000
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dzesikah
parents:
diff changeset
3556 3549 HB1 45.4616 1.1705 24.5688 H 221 SER527221 1.0000
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dzesikah
parents:
diff changeset
3557 3550 HB2 45.2239 0.1213 25.9708 H 221 SER527221 1.0000
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dzesikah
parents:
diff changeset
3558 3551 OG 43.6830 1.3910 25.5460 O.3 221 SER527221 1.0000
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dzesikah
parents:
diff changeset
3559 3552 HG 44.0012 2.3706 25.5506 H 221 SER527221 1.0000
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dzesikah
parents:
diff changeset
3560 3553 N 42.9750 -2.6210 24.4910 N.am 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3561 3554 HN 42.7378 -2.5118 23.4946 H 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3562 3555 CA 42.4470 -3.7700 25.2140 C.3 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3563 3556 HA 43.1504 -4.1240 25.9676 H 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3564 3557 C 42.1590 -4.9370 24.2730 C.2 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3565 3558 O 42.5300 -4.8910 23.0940 O.2 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3566 3559 CB 41.1840 -3.3770 25.9900 C.3 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3567 3560 HB1 40.5807 -4.2277 26.3070 H 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3568 3561 HB2 40.4998 -2.7445 25.4243 H 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3569 3562 CG 41.4650 -2.6040 27.2630 C.3 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3570 3563 HG1 41.8651 -1.6289 26.9852 H 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3571 3564 HG2 42.1910 -3.1685 27.8481 H 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3572 3565 SD 40.0320 -2.3160 28.3180 S.3 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3573 3566 CE 40.8750 -1.7480 29.8000 C.3 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3574 3567 HE1 40.1399 -1.5194 30.5717 H 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3575 3568 HE2 41.5465 -2.5283 30.1583 H 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3576 3569 HE3 41.4506 -0.8513 29.5702 H 222 MET528222 1.0000
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dzesikah
parents:
diff changeset
3577 3570 N 41.5060 -5.9600 24.8110 N.am 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3578 3571 HN 41.2030 -5.8707 25.7914 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3579 3572 CA 41.1870 -7.1990 24.1160 C.3 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3580 3573 HA 41.9728 -7.5014 23.4237 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3581 3574 C 39.9020 -7.0910 23.2900 C.2 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3582 3575 O 39.9010 -7.5550 22.1440 O.2 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3583 3576 CB 41.0770 -8.3480 25.1210 C.3 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3584 3577 HB1 41.3028 -7.9487 26.1098 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3585 3578 HB2 41.7981 -9.1130 24.8330 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3586 3579 CG 39.7260 -9.0280 25.2170 C.3 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3587 3580 HG1 39.8196 -10.0696 25.5244 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3588 3581 HG2 39.2021 -9.0212 24.2612 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3589 3582 CD 38.8200 -8.3410 26.2300 C.3 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3590 3583 HD1 38.6445 -7.2980 25.9663 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3591 3584 HD2 39.2551 -8.3552 27.2293 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3592 3585 CE 37.4630 -9.0220 26.3160 C.3 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3593 3586 HE1 37.1358 -9.3757 25.3383 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3594 3587 HE2 36.7013 -8.3390 26.6920 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3596 3589 HZ1 36.5754 -10.6439 27.2732 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3597 3590 HZ2 38.1937 -10.8865 26.8854 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3598 3591 HZ3 37.7785 -9.8956 28.1792 H 223 LYS529223 1.0000
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dzesikah
parents:
diff changeset
3599 3592 N 38.8730 -6.4990 23.8620 N.am 224 CYS530224 1.0000
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dzesikah
parents:
diff changeset
3600 3593 HN 39.0408 -6.1268 24.8076 H 224 CYS530224 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3602 3595 HA 36.8585 -7.1209 23.5786 H 224 CYS530224 1.0000
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dzesikah
parents:
diff changeset
3603 3596 C 37.5050 -6.1750 21.8190 C.2 224 CYS530224 1.0000
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dzesikah
parents:
diff changeset
3604 3597 HC 38.4409 -6.0964 21.2658 H 224 CYS530224 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3608 3601 HB2 36.0120 -4.7284 23.4417 H 224 CYS530224 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3610 3603 HG 39.3259 -4.0789 23.9737 H 224 CYS530224 1.0000
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dzesikah
parents:
diff changeset
3611 3604 N 41.2870 -6.9540 12.6280 N.3 225 VAL533225 1.0000
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dzesikah
parents:
diff changeset
3612 3605 HN1 41.9942 -7.0280 11.8828 H 225 VAL533225 1.0000
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dzesikah
parents:
diff changeset
3613 3606 HN2 41.1167 -5.9609 12.8416 H 225 VAL533225 1.0000
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dzesikah
parents:
diff changeset
3614 3607 CA 40.0420 -7.5780 12.1830 C.3 225 VAL533225 1.0000
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dzesikah
parents:
diff changeset
3615 3608 HA 40.2392 -8.5006 11.6370 H 225 VAL533225 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3617 3610 O 39.7090 -5.5260 10.9960 O.2 225 VAL533225 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3620 3613 CG1 40.0440 -8.3580 14.5740 C.3 225 VAL533225 1.0000
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dzesikah
parents:
diff changeset
3621 3614 HG11 39.4128 -8.6390 15.4170 H 225 VAL533225 1.0000
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dzesikah
parents:
diff changeset
3622 3615 HG12 40.6815 -9.1992 14.3018 H 225 VAL533225 1.0000
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dzesikah
parents:
diff changeset
3623 3616 HG13 40.6656 -7.5074 14.8538 H 225 VAL533225 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3627 3620 HG23 37.5686 -6.6316 12.9052 H 225 VAL533225 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3629 3622 HN 37.8175 -8.0611 11.0264 H 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3631 3624 HA 37.6921 -6.2066 8.9077 H 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
3632 3625 C 37.0350 -4.9160 10.4610 C.2 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
3633 3626 O 36.7990 -4.7210 11.6530 O.2 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3635 3628 HB 35.3391 -7.0974 10.6191 H 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
3637 3630 HG11 34.0625 -6.7276 8.6009 H 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
3638 3631 HG12 34.8380 -5.2157 9.1298 H 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
3639 3632 HG13 35.5137 -6.1310 7.7613 H 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
3640 3633 CG2 36.0900 -8.4170 9.1660 C.3 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
3641 3634 HG21 35.1188 -8.8892 9.0183 H 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
3642 3635 HG22 36.6263 -8.3860 8.2176 H 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
3643 3636 HG23 36.6667 -8.9922 9.8903 H 226 VAL534226 1.0000
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dzesikah
parents:
diff changeset
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dzesikah
parents:
diff changeset
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dzesikah
parents:
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dzesikah
parents:
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3647 3640 C 35.3360 -2.5700 10.6210 C.2 227 PRO535227 1.0000
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dzesikah
parents:
diff changeset
3648 3641 O 34.5200 -3.3780 10.1710 O.2 227 PRO535227 1.0000
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dzesikah
parents:
diff changeset
3649 3642 CB 36.8080 -1.7180 8.7850 C.3 227 PRO535227 1.0000
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dzesikah
parents:
diff changeset
3650 3643 HB1 37.1984 -0.7484 9.0942 H 227 PRO535227 1.0000
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dzesikah
parents:
diff changeset
3651 3644 HB2 35.7789 -1.6766 8.4282 H 227 PRO535227 1.0000
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dzesikah
parents:
diff changeset
3652 3645 CG 37.7220 -2.4600 7.8710 C.3 227 PRO535227 1.0000
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dzesikah
parents:
diff changeset
3653 3646 HG1 38.7265 -2.0892 8.0750 H 227 PRO535227 1.0000
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dzesikah
parents:
diff changeset
3654 3647 HG2 37.3925 -2.2323 6.8572 H 227 PRO535227 1.0000
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dzesikah
parents:
diff changeset
3655 3648 CD 37.5680 -3.9180 8.2110 C.3 227 PRO535227 1.0000
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dzesikah
parents:
diff changeset
3656 3649 HD1 36.8310 -4.4057 7.5729 H 227 PRO535227 1.0000
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dzesikah
parents:
diff changeset
3657 3650 HD2 38.5093 -4.4580 8.1087 H 227 PRO535227 1.0000
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dzesikah
parents:
diff changeset
3658 3651 N 35.0350 -1.7000 11.5760 N.am 228 LEU536228 1.0000
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dzesikah
parents:
diff changeset
3659 3652 HN 35.7708 -1.1066 11.9852 H 228 LEU536228 1.0000
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dzesikah
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dzesikah
parents:
diff changeset
3798 3791 HE3 27.4092 -4.4613 11.9437 H 235 MET543235 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3799 3792 N 23.7120 -3.5920 7.6340 N.am 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3800 3793 HN 24.7052 -3.3246 7.5795 H 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3801 3794 CA 22.6910 -2.6750 7.1280 C.3 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3802 3795 HA 21.7690 -2.7063 7.7085 H 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3803 3796 C 22.2880 -2.9740 5.6870 C.2 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3804 3797 O 21.1050 -2.9780 5.3340 O.2 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3805 3798 CB 23.1930 -1.2350 7.2640 C.3 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3806 3799 HB1 22.6502 -0.6283 6.5392 H 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3807 3800 HB2 24.2629 -1.2392 7.0558 H 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3808 3801 CG 23.0160 -0.5540 8.6220 C.3 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3809 3802 HG 23.2596 -1.2504 9.4244 H 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3810 3803 CD1 23.9350 0.6550 8.7240 C.3 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3811 3804 HD11 23.8013 1.1328 9.6945 H 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3812 3805 HD12 24.9713 0.3344 8.6171 H 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3813 3806 HD13 23.6915 1.3649 7.9335 H 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3814 3807 CD2 21.5770 -0.1310 8.8400 C.3 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3815 3808 HD21 21.4827 0.3500 9.8136 H 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3816 3809 HD22 21.2814 0.5696 8.0590 H 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3817 3810 HD23 20.9306 -1.0079 8.8044 H 236 LEU544236 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3818 3811 N 23.2630 -3.2310 4.8260 N.am 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3819 3812 HN 24.2382 -3.1884 5.1548 H 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3820 3813 CA 23.0080 -3.5710 3.4340 C.3 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3821 3814 HA 22.3363 -2.8437 2.9779 H 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3822 3815 C 22.3660 -4.9470 3.3270 C.2 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3823 3816 O 22.9720 -5.9100 2.8520 O.2 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3824 3817 CB 24.3090 -3.5460 2.6260 C.3 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3825 3818 HB1 25.0397 -4.2709 2.9848 H 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3826 3819 HB2 24.8042 -2.5755 2.6582 H 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3827 3820 CG 24.0900 -3.8600 1.1540 C.2 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3828 3821 OD1 22.9310 -3.7040 0.7100 O.co2 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3829 3822 OD2 25.0690 -4.2500 0.4750 O.co2 237 ASP545237 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3830 3823 N 21.1170 -5.0540 3.7740 N.am 238 ALA546238 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3831 3824 HN 20.6191 -4.2406 4.1631 H 238 ALA546238 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3832 3825 CA 20.4760 -6.3650 3.6940 C.3 238 ALA546238 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3833 3826 HA 21.2040 -7.1744 3.6398 H 238 ALA546238 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3834 3827 C 19.5840 -6.4930 2.4630 C.2 238 ALA546238 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3835 3828 O 19.1000 -5.5470 1.8440 O.2 238 ALA546238 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3836 3829 CB 19.7010 -6.6260 4.9750 C.3 238 ALA546238 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3837 3830 HB1 19.2219 -7.6034 4.9177 H 238 ALA546238 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3838 3831 HB2 20.3842 -6.6060 5.8241 H 238 ALA546238 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3839 3832 HB3 18.9402 -5.8560 5.1033 H 238 ALA546238 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3840 3833 N 19.3560 -7.7460 2.0730 N.am 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3841 3834 HN 19.8245 -8.5225 2.5612 H 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3842 3835 CA 18.4520 -8.0350 0.9640 C.3 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3843 3836 HA 18.6262 -7.3090 0.1698 H 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3844 3837 C 17.0190 -7.9330 1.4600 C.2 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3845 3838 O 16.7740 -7.6830 2.6450 O.2 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3846 3839 CB 18.7630 -9.4110 0.3950 C.3 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3847 3840 HB1 19.7586 -9.3724 -0.0471 H 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3848 3841 HB2 18.0088 -9.6392 -0.3581 H 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3849 3842 CG 18.7620 -10.5430 1.3720 C.ar 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3850 3843 ND1 19.8930 -11.2900 1.6290 N.ar 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3851 3844 CD2 17.7880 -11.0640 2.1560 C.ar 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3852 3845 HD2 16.7552 -10.7214 2.2192 H 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3853 3846 CE1 19.6220 -12.2240 2.5230 C.ar 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3854 3847 HE1 20.3233 -12.9603 2.9155 H 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3855 3848 NE2 18.3470 -12.1060 2.8570 N.ar 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3856 3849 HE2 17.8513 -12.7014 3.5357 H 239 HIS547239 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3857 3850 N 16.0210 -8.1160 0.5990 N.am 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3858 3851 HN 16.2057 -8.3152 -0.3945 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3859 3852 CA 14.6510 -8.0250 1.1100 C.3 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3860 3853 HA 14.6754 -7.7592 2.1668 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3861 3854 C 13.9560 -9.3710 0.9390 C.2 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3862 3855 O 12.7360 -9.4570 1.0270 O.2 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3863 3856 CB 13.8830 -6.9200 0.3920 C.3 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3864 3857 HB1 13.1931 -6.4644 1.1023 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3865 3858 HB2 13.3375 -7.3660 -0.4396 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3866 3859 CG 14.7640 -5.8160 -0.1710 C.3 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3867 3860 HG1 14.8538 -5.8772 -1.2556 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3868 3861 HG2 15.7763 -5.8551 0.2313 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3869 3862 CD 14.2200 -4.4360 0.1460 C.3 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3870 3863 HD1 14.7367 -3.9793 0.9901 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3871 3864 HD2 13.1605 -4.4652 0.4003 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3872 3865 NE 14.3610 -3.5230 -0.9830 N.pl3 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3873 3866 HE 15.0295 -3.7808 -1.7230 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3874 3867 CZ 13.6930 -2.3850 -1.1290 C.cat 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3875 3868 NH1 12.8150 -2.0050 -0.2070 N.pl3 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3876 3869 HH11 12.2975 -1.1218 -0.3217 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3877 3870 HH12 12.6518 -2.5936 0.6223 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3878 3871 NH2 13.8990 -1.6270 -2.2000 N.pl3 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3879 3872 HH21 13.3808 -0.7441 -2.3134 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3880 3873 HH22 14.5770 -1.9220 -2.9171 H 240 ARG548240 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3881 3874 N 14.7890 -10.3760 0.6820 N.am 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3882 3875 HN 15.8033 -10.2019 0.7231 H 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3883 3876 CA 14.3210 -11.7120 0.3450 C.3 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3884 3877 HA 13.6922 -11.6803 -0.5448 H 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3885 3878 C 13.5070 -12.2940 1.4940 C.2 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3886 3879 O 12.5540 -13.0480 1.2870 O.2 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3887 3880 CB 15.5160 -12.5930 -0.0250 C.3 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3888 3881 HB1 15.1499 -13.4126 -0.6433 H 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3889 3882 HB2 15.9555 -12.9679 0.8994 H 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3890 3883 CG 16.6400 -11.8990 -0.8120 C.3 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3891 3884 HG 16.9319 -10.9721 -0.3184 H 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3892 3885 CD1 17.8600 -12.8050 -0.9030 C.3 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3893 3886 HD11 18.6472 -12.3001 -1.4629 H 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3894 3887 HD12 18.2185 -13.0345 0.1005 H 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3895 3888 HD13 17.5891 -13.7301 -1.4118 H 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3896 3889 CD2 16.1780 -11.4780 -2.1920 C.3 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3897 3890 HD21 16.9993 -10.9913 -2.7179 H 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3898 3891 HD22 15.8583 -12.3565 -2.7524 H 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3899 3892 HD23 15.3435 -10.7829 -2.1000 H 241 LEU549241 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3900 3893 N 13.8830 -11.9280 2.7170 N.am 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3901 3894 HN 14.6812 -11.2865 2.8276 H 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3902 3895 CA 13.1900 -12.4150 3.9040 C.3 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3903 3896 HA 12.8833 -13.4566 3.8090 H 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3904 3897 C 11.9190 -11.6180 4.2070 C.2 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3905 3898 O 11.6200 -11.4110 5.3920 O.2 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3906 3899 CB 14.1050 -12.3540 5.1300 C.3 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3907 3900 HB1 13.5029 -12.5753 6.0113 H 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3908 3901 HB2 14.5243 -11.3496 5.1880 H 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3909 3902 CG 15.2510 -13.3130 5.1240 C.ar 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3910 3903 ND1 16.0780 -13.4650 6.2200 N.ar 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3911 3904 CD2 15.7190 -14.1680 4.1880 C.ar 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3912 3905 HD2 15.3080 -14.3200 3.1900 H 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3913 3906 CE1 17.0040 -14.3660 5.9550 C.ar 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3914 3907 HE1 17.7943 -14.6882 6.6331 H 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3915 3908 NE2 16.8090 -14.8110 4.7260 N.ar 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3916 3909 HE2 17.3802 -15.5231 4.2490 H 242 HIS550242 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3917 3910 N 11.1920 -11.1830 3.1830 N.am 243 ALA551243 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3918 3911 HN 11.4929 -11.4001 2.2222 H 243 ALA551243 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3919 3912 CA 9.9730 -10.4020 3.3930 C.3 243 ALA551243 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3920 3913 HA 9.9732 -9.9051 4.3632 H 243 ALA551243 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3921 3914 C 8.7260 -11.2750 3.3380 C.2 243 ALA551243 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3922 3915 HC 8.3710 -11.6215 2.3675 H 243 ALA551243 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3923 3916 O 8.1040 -11.6040 4.3480 O.2 243 ALA551243 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3924 3917 CB 9.8870 -9.2820 2.3660 C.3 243 ALA551243 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3925 3918 HB1 8.9761 -8.7064 2.5307 H 243 ALA551243 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3926 3919 HB2 10.7529 -8.6278 2.4677 H 243 ALA551243 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3927 3920 HB3 9.8703 -9.7085 1.3630 H 243 ALA551243 1.0000
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3928 @<TRIPOS>BOND
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3929 1 1 4 1
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3930 2 1 2 1
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3931 3 1 3 1
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3932 4 4 6 1
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3933 5 4 8 1
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3934 6 4 5 1
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3935 7 6 7 2
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3936 8 8 9 1
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3937 9 8 10 1
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
3938 10 8 11 1
4eb3f9cb2a51 Uploaded
dzesikah
parents:
diff changeset
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4eb3f9cb2a51 Uploaded
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parents:
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7882 3954 3837 3850 am
4eb3f9cb2a51 Uploaded
dzesikah
parents:
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7883 3955 3854 3874 am
4eb3f9cb2a51 Uploaded
dzesikah
parents:
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7884 3956 3878 3893 am
4eb3f9cb2a51 Uploaded
dzesikah
parents:
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7885 3957 3897 3910 am