==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-JUL-10 3O3M . COMPND 2 MOLECULE: ALPHA SUBUNIT 2-HYDROXYISOCAPROYL-COA DEHYDRATASE . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR S.H.KNAUER,W.BUCKEL,H.DOBBEK . 1548 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1135 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 89 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 687 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 0 2 0 0 6 7 6 9 5 2 2 2 1 0 1 2 2 7 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 4 9 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A K 0 0 213 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.8 62.3 20.8 -11.3 2 6 A E > - 0 0 131 1,-0.1 4,-2.0 2,-0.0 3,-0.4 -0.674 360.0-143.9 -93.9 135.7 58.8 19.3 -11.2 3 7 A A H > S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.905 99.2 54.9 -62.1 -47.6 56.4 20.0 -8.3 4 8 A R H > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.830 110.7 48.7 -56.8 -32.2 54.8 16.5 -8.2 5 9 A V H > S+ 0 0 65 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.903 110.4 47.9 -76.4 -43.6 58.3 15.1 -7.7 6 10 A V H X S+ 0 0 34 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.870 113.4 50.4 -62.4 -37.1 59.4 17.6 -5.0 7 11 A I H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.897 109.7 48.2 -71.1 -41.9 56.1 16.9 -3.2 8 12 A N H X S+ 0 0 92 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.885 113.2 48.7 -66.0 -38.8 56.5 13.1 -3.3 9 13 A D H X S+ 0 0 97 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.915 110.3 51.6 -65.7 -44.1 60.0 13.3 -2.0 10 14 A L H X S+ 0 0 8 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.923 109.6 49.0 -59.1 -47.0 59.0 15.6 0.8 11 15 A L H X S+ 0 0 35 -4,-2.2 4,-1.0 1,-0.2 3,-0.4 0.892 111.8 48.4 -61.9 -41.1 56.2 13.3 2.0 12 16 A A H X S+ 0 0 62 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.804 105.0 61.2 -69.7 -28.7 58.6 10.3 2.0 13 17 A E H X S+ 0 0 109 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.819 96.8 58.4 -66.7 -32.9 61.1 12.3 3.9 14 18 A Q H X S+ 0 0 36 -4,-1.2 4,-1.6 -3,-0.4 -1,-0.2 0.922 109.3 43.8 -65.3 -42.6 58.8 12.8 6.8 15 19 A Y H X S+ 0 0 40 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.900 114.2 50.3 -67.4 -41.3 58.4 9.0 7.3 16 20 A A H X S+ 0 0 57 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.922 109.9 49.6 -63.9 -45.7 62.2 8.5 6.8 17 21 A N H X S+ 0 0 60 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.864 108.8 53.1 -62.4 -36.9 63.1 11.1 9.4 18 22 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.896 108.3 49.8 -66.9 -40.2 60.7 9.6 11.9 19 23 A F H X S+ 0 0 82 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.857 110.3 51.2 -64.0 -34.7 62.3 6.2 11.6 20 24 A K H X S+ 0 0 94 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.886 108.5 50.6 -71.5 -38.4 65.7 7.8 12.1 21 25 A A H X>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 4,-0.6 0.907 108.2 54.0 -63.0 -42.0 64.6 9.5 15.2 22 26 A K H ><5S+ 0 0 67 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.933 107.7 49.1 -58.2 -49.3 63.2 6.2 16.5 23 27 A E H 3<5S+ 0 0 167 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.868 112.2 49.0 -57.5 -38.1 66.5 4.5 16.0 24 28 A E H 3<5S- 0 0 102 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.431 118.8-107.0 -89.7 0.1 68.4 7.3 17.8 25 29 A G T <<5S+ 0 0 69 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.524 72.7 137.7 90.8 6.2 66.1 7.3 20.8 26 30 A R < - 0 0 95 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.1 -0.668 59.1-102.0 -85.8 142.7 64.2 10.6 20.0 27 31 A P - 0 0 29 0, 0.0 19,-0.8 0, 0.0 2,-0.4 -0.364 30.4-157.8 -73.1 139.3 60.4 10.6 20.6 28 32 A V E -a 46 0A 0 74,-0.2 76,-3.4 17,-0.1 77,-1.2 -0.929 8.4-155.2-115.2 136.7 57.9 10.2 17.7 29 33 A G E -ab 47 105A 0 17,-2.5 19,-2.9 -2,-0.4 2,-0.4 -0.754 10.1-145.9-109.8 157.2 54.3 11.4 17.9 30 34 A W E -ab 48 106A 2 75,-1.6 77,-2.5 -2,-0.3 2,-0.3 -0.983 28.1-172.0-115.9 137.7 51.1 10.4 16.2 31 35 A S E - b 0 107A 0 17,-2.3 20,-0.4 -2,-0.4 77,-0.2 -0.941 26.6-110.9-136.4 148.0 48.6 13.3 15.6 32 36 A T > - 0 0 0 75,-2.0 3,-1.2 -2,-0.3 78,-0.1 -0.339 45.0-104.8 -69.9 162.3 45.1 14.0 14.4 33 37 A S T 3 S+ 0 0 9 1,-0.3 -1,-0.1 76,-0.1 75,-0.0 0.631 113.6 35.2 -77.1 -17.6 44.8 15.8 11.0 34 38 A V T 3 S+ 0 0 0 75,-0.3 -1,-0.3 2,-0.0 77,-0.1 -0.184 83.9 137.7-125.9 44.0 43.9 19.3 12.3 35 39 A F S < S- 0 0 2 -3,-1.2 2,-2.3 72,-0.1 3,-0.1 -0.518 72.5 -94.5 -81.0 152.5 45.9 19.4 15.5 36 40 A P > + 0 0 0 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.456 49.0 179.2 -68.4 81.8 47.8 22.6 16.4 37 41 A Q T 3> + 0 0 13 -2,-2.3 4,-1.8 1,-0.3 3,-0.4 0.685 64.4 80.1 -59.8 -22.0 51.1 21.4 14.9 38 42 A E H 3> S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.868 85.1 60.5 -53.4 -39.9 52.9 24.6 15.8 39 43 A L H <4 S+ 0 0 2 -3,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.880 109.9 36.7 -62.5 -44.4 53.4 23.4 19.4 40 44 A A H >4>S+ 0 0 2 -3,-0.4 5,-1.8 -4,-0.4 3,-0.9 0.785 109.6 63.4 -80.1 -27.7 55.4 20.3 18.7 41 45 A E H ><5S+ 0 0 28 -4,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.758 91.8 66.3 -67.6 -23.6 57.3 21.9 15.8 42 46 A V T 3<5S+ 0 0 6 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.828 104.5 44.3 -64.5 -30.5 58.7 24.4 18.3 43 47 A F T < 5S- 0 0 4 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.320 113.5-118.8 -95.9 6.5 60.6 21.4 19.9 44 48 A D T < 5 + 0 0 78 -3,-1.1 -3,-0.2 1,-0.2 2,-0.2 0.828 56.5 166.2 58.9 33.8 61.7 20.1 16.5 45 49 A L < - 0 0 15 -5,-1.8 2,-0.6 1,-0.1 -1,-0.2 -0.507 40.1-119.1 -81.9 148.2 59.7 16.9 17.2 46 50 A N E -a 28 0A 28 -19,-0.8 -17,-2.5 -2,-0.2 2,-0.4 -0.786 36.8-178.6 -88.2 119.5 58.9 14.3 14.6 47 51 A V E -a 29 0A 29 -2,-0.6 2,-0.2 -19,-0.2 -17,-0.2 -0.975 7.7-169.7-125.6 131.7 55.2 13.9 14.2 48 52 A L E -a 30 0A 6 -19,-2.9 -17,-2.3 -2,-0.4 52,-0.0 -0.646 18.2-128.2-112.5 173.6 53.3 11.5 11.9 49 53 A Y >> - 0 0 10 -19,-0.2 4,-2.0 -2,-0.2 3,-0.7 -0.895 6.0-161.2-135.3 101.7 49.5 11.3 11.0 50 54 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.775 95.4 55.0 -50.9 -34.2 47.5 8.1 11.3 51 55 A E H 3> S+ 0 0 22 -20,-0.4 4,-2.1 2,-0.2 5,-0.2 0.905 108.3 48.2 -67.2 -42.6 44.8 9.5 8.9 52 56 A N H <> S+ 0 0 33 -3,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.900 113.1 48.0 -62.1 -42.6 47.4 10.2 6.2 53 57 A Q H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.880 110.9 50.2 -67.4 -40.1 48.9 6.7 6.6 54 58 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.891 110.8 48.9 -67.4 -39.8 45.5 5.0 6.4 55 59 A A H X S+ 0 0 12 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.885 112.1 50.7 -64.2 -39.0 44.5 6.9 3.3 56 60 A G H X S+ 0 0 23 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.921 112.3 44.0 -65.2 -46.9 47.9 6.0 1.7 57 61 A V H <>S+ 0 0 2 -4,-2.4 5,-2.5 1,-0.2 3,-0.4 0.876 111.3 55.2 -67.1 -38.0 47.6 2.3 2.5 58 62 A A H ><5S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.882 103.6 54.4 -62.1 -38.8 44.0 2.2 1.3 59 63 A A H 3<5S+ 0 0 41 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.767 107.2 51.8 -67.4 -24.7 45.0 3.7 -2.0 60 64 A K T 3<5S- 0 0 117 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.146 120.0-112.5 -95.4 17.2 47.5 0.8 -2.4 61 65 A K T < 5S+ 0 0 148 -3,-1.7 -3,-0.2 1,-0.1 4,-0.1 0.818 88.4 112.5 59.4 35.7 44.6 -1.7 -1.7 62 66 A G >< + 0 0 20 -5,-2.5 4,-0.8 2,-0.1 -4,-0.2 0.361 47.7 83.7-117.4 3.2 46.2 -2.7 1.7 63 67 A S H > S+ 0 0 1 -6,-0.4 4,-2.4 1,-0.2 5,-0.2 0.791 79.5 64.6 -80.3 -29.0 43.6 -1.3 4.1 64 68 A L H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 101.0 50.2 -63.1 -41.7 41.1 -4.3 4.0 65 69 A E H > S+ 0 0 122 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.887 112.9 46.7 -64.3 -39.4 43.6 -6.7 5.5 66 70 A L H X S+ 0 0 5 -4,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.877 110.2 52.5 -72.4 -38.1 44.4 -4.4 8.4 67 71 A C H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.895 107.4 53.1 -61.8 -40.6 40.7 -3.7 9.0 68 72 A E H X S+ 0 0 97 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.839 106.3 53.1 -66.8 -33.2 40.0 -7.4 9.2 69 73 A I H X S+ 0 0 36 -4,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.911 110.3 47.2 -65.3 -43.3 42.8 -7.8 11.8 70 74 A A H ><>S+ 0 0 0 -4,-1.8 5,-1.9 14,-0.2 3,-0.5 0.882 110.4 52.5 -64.9 -39.2 41.2 -5.1 13.9 71 75 A E H ><5S+ 0 0 47 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.817 103.7 56.8 -68.9 -30.0 37.7 -6.7 13.6 72 76 A S H 3<5S+ 0 0 100 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.742 101.7 57.3 -73.3 -21.9 39.1 -10.0 14.7 73 77 A K T <<5S- 0 0 48 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.547 132.4 -92.5 -82.1 -9.9 40.2 -8.3 17.9 74 78 A G T < 5S+ 0 0 22 -3,-0.9 2,-0.5 -4,-0.3 -3,-0.2 0.468 77.4 142.8 113.2 5.3 36.7 -7.2 18.5 75 79 A Y < - 0 0 4 -5,-1.9 -1,-0.3 -8,-0.1 655,-0.1 -0.678 52.1-120.4 -79.3 124.8 36.5 -3.8 16.9 76 80 A S > - 0 0 33 -2,-0.5 3,-1.5 653,-0.3 -1,-0.1 -0.292 8.5-127.3 -66.5 146.3 33.1 -3.3 15.3 77 81 A I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -6,-0.1 7,-0.1 0.626 104.6 75.1 -67.3 -12.1 32.9 -2.6 11.5 78 82 A D T 3 S+ 0 0 1 647,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.763 77.5 93.5 -69.1 -28.0 30.7 0.4 12.5 79 83 A L S < S- 0 0 0 -3,-1.5 5,-0.1 1,-0.2 263,-0.1 -0.253 97.2 -75.9 -67.9 155.4 33.8 2.3 13.7 80 84 A C > - 0 0 20 261,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.194 37.9-132.6 -51.0 139.2 35.6 4.7 11.4 81 85 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.718 104.8 61.1 -74.0 -22.0 37.8 2.8 8.9 82 86 A Y H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 107.6 45.8 -65.9 -40.6 40.8 5.0 9.5 83 87 A A H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.902 112.9 49.1 -68.2 -41.7 40.7 3.8 13.2 84 88 A R H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -14,-0.2 0.899 111.0 49.7 -65.9 -40.5 40.2 0.2 12.2 85 89 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.913 112.4 48.9 -61.7 -41.6 43.1 0.4 9.7 86 90 A N H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.878 109.8 49.5 -69.1 -39.6 45.3 1.9 12.4 87 91 A F H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.885 111.4 50.7 -65.1 -38.8 44.4 -0.7 15.1 88 92 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.876 108.5 53.2 -62.9 -37.0 45.2 -3.4 12.5 89 93 A L H X>S+ 0 0 3 -4,-1.8 5,-2.7 2,-0.2 4,-0.7 0.930 109.8 46.1 -65.2 -46.8 48.5 -1.6 11.9 90 94 A L H ><5S+ 0 0 46 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.917 113.0 49.6 -62.3 -44.4 49.5 -1.7 15.5 91 95 A E H 3<5S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.816 112.5 48.7 -64.2 -30.5 48.5 -5.3 16.0 92 96 A N H 3<5S- 0 0 83 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.510 111.7-117.1 -90.4 -6.5 50.5 -6.3 12.9 93 97 A G T <<5S- 0 0 72 -3,-0.9 2,-0.2 -4,-0.7 -3,-0.2 0.774 76.0 -45.9 73.7 27.0 53.7 -4.4 13.9 94 98 A G S - c 0 134A 0 -2,-0.5 3,-0.6 24,-0.2 -75,-0.3 -0.996 19.0-156.2-130.0 127.5 42.2 17.5 18.7 110 114 A N T 3 + 0 0 5 24,-0.8 25,-0.1 -2,-0.4 28,-0.1 0.057 64.1 107.3 -93.9 26.3 38.5 16.9 18.3 111 115 A N T 3 S+ 0 0 1 23,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.843 86.2 45.3 -69.3 -29.2 37.7 19.7 15.9 112 116 A I S < S- 0 0 15 -3,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.881 133.6 -41.6 -77.7 -39.5 37.3 17.2 13.1 113 117 A C - 0 0 22 -4,-0.3 -1,-0.3 231,-0.1 3,-0.1 -0.964 44.3-112.5-176.0 169.4 35.3 14.7 15.1 114 118 A N S >> S+ 0 0 19 -2,-0.3 3,-1.1 1,-0.2 4,-0.9 0.575 98.8 81.1 -94.5 -11.7 34.9 13.0 18.5 115 119 A Q H 3> S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.850 83.5 64.3 -61.0 -32.8 35.8 9.5 17.3 116 120 A V H 3> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.778 93.9 62.2 -63.7 -24.5 39.5 10.5 17.5 117 121 A I H <> S+ 0 0 4 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.962 110.4 36.6 -62.3 -50.9 39.1 10.9 21.3 118 122 A K H X S+ 0 0 15 -4,-0.9 4,-1.8 -3,-0.2 -2,-0.2 0.864 115.3 56.0 -71.4 -39.7 38.2 7.2 21.8 119 123 A W H X S+ 0 0 6 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.949 113.2 40.2 -53.7 -51.7 40.6 6.1 19.2 120 124 A Y H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.782 107.3 62.7 -76.7 -27.0 43.5 7.8 20.9 121 125 A E H X S+ 0 0 4 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.927 105.7 48.6 -55.0 -45.6 42.3 6.8 24.4 122 126 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.866 111.0 47.6 -66.1 -41.0 42.8 3.2 23.3 123 127 A I H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 5,-0.3 0.932 111.3 51.5 -67.0 -45.5 46.3 3.7 21.9 124 128 A S H X>S+ 0 0 10 -4,-2.5 5,-1.3 1,-0.2 4,-1.3 0.931 114.5 43.5 -55.0 -48.6 47.4 5.6 25.0 125 129 A R H <5S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.891 116.1 45.4 -65.8 -43.2 46.2 2.8 27.2 126 130 A E H <5S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.787 124.2 32.5 -78.6 -27.2 47.5 -0.1 25.2 127 131 A L H <5S- 0 0 71 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.494 101.5-129.1-103.9 -7.4 51.0 1.4 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4,-0.0 2,-0.2 -46,-0.0 -42,-0.0 0.303 31.3 123.5-114.9 5.3 15.3 -1.7 30.0 641 241 B S > - 0 0 20 1,-0.1 4,-1.7 -185,-0.0 5,-0.2 -0.468 63.9-130.5 -73.7 141.3 13.3 -3.5 27.3 642 242 B K H > S+ 0 0 152 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.892 104.2 55.3 -55.5 -41.7 10.7 -6.0 28.6 643 243 B D H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.927 106.7 46.2 -62.3 -51.0 12.0 -8.7 26.3 644 244 B I H > S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.885 112.4 51.3 -61.6 -39.7 15.6 -8.8 27.5 645 245 B L H X S+ 0 0 13 -4,-1.7 4,-1.5 1,-0.2 -54,-0.3 0.796 107.1 54.4 -70.0 -28.5 14.7 -8.7 31.2 646 246 B D H X S+ 0 0 41 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.861 105.8 52.4 -71.2 -37.0 12.3 -11.6 30.7 647 247 B I H X S+ 0 0 7 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.916 105.5 54.0 -66.9 -44.3 15.0 -13.8 29.2 648 248 B L H ><>S+ 0 0 3 -4,-1.7 5,-1.9 1,-0.2 3,-0.7 0.946 112.3 44.2 -53.0 -50.4 17.4 -13.1 32.1 649 249 B E H ><5S+ 0 0 72 -4,-1.5 3,-1.7 1,-0.2 -1,-0.2 0.855 107.4 58.9 -66.3 -35.6 14.7 -14.3 34.6 650 250 B D H 3<5S+ 0 0 129 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.752 106.8 48.9 -66.7 -23.5 13.8 -17.3 32.4 651 251 B N T <<5S- 0 0 37 -4,-1.3 -1,-0.3 -3,-0.7 -21,-0.3 0.173 122.0-106.4-100.8 16.3 17.4 -18.5 32.7 652 252 B N T < 5S+ 0 0 86 -3,-1.7 -22,-1.8 1,-0.2 2,-0.4 0.898 70.9 146.5 63.7 43.5 17.5 -18.1 36.5 653 253 B I E < -k 630 0E 6 -5,-1.9 2,-0.4 -24,-0.2 -1,-0.2 -0.933 30.8-164.3-115.0 134.3 19.7 -15.0 36.4 654 254 B S E -k 631 0E 7 -24,-2.3 -22,-1.8 -2,-0.4 2,-0.6 -0.948 16.6-136.5-115.4 137.8 19.5 -12.0 38.8 655 255 B V E +k 632 0E 10 -2,-0.4 -22,-0.2 -67,-0.2 3,-0.1 -0.843 30.1 165.2 -90.5 119.6 21.1 -8.6 38.1 656 256 B V E + 0 0 1 -24,-1.6 2,-0.3 -2,-0.6 -23,-0.1 0.217 64.6 12.0-121.2 12.5 22.9 -7.5 41.3 657 257 B A E - 0 0 1 -25,-0.5 -23,-1.4 -75,-0.0 2,-0.3 -0.880 64.1-168.0-179.8 152.6 25.0 -4.7 40.0 658 258 B D E -k 634 0E 10 -2,-0.3 -23,-0.2 -25,-0.2 -25,-0.0 -0.990 29.2-157.6-151.3 155.3 25.4 -2.6 36.8 659 259 B D E +k 635 0E 6 -25,-3.0 -23,-1.6 -2,-0.3 2,-0.4 -0.481 50.9 145.1-122.0 54.2 27.6 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110.9 45.9 -64.2 -43.0 49.1 13.2 110.2 1167 396 C V H X S+ 0 0 67 -4,-1.7 4,-1.2 1,-0.2 3,-0.3 0.926 113.1 49.6 -64.2 -45.8 50.8 15.8 108.0 1168 397 C M H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.863 109.0 53.2 -62.2 -35.5 48.0 18.2 108.4 1169 398 C E H X S+ 0 0 68 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.793 100.1 60.4 -73.9 -29.0 48.0 17.8 112.2 1170 399 C E H X S+ 0 0 114 -4,-1.4 4,-1.2 -3,-0.3 -1,-0.2 0.876 106.5 49.1 -61.2 -37.2 51.7 18.6 112.4 1171 400 C R H X S+ 0 0 105 -4,-1.2 4,-2.0 2,-0.2 3,-0.4 0.943 110.3 48.4 -66.3 -50.7 50.8 21.9 110.9 1172 401 C K H < S+ 0 0 81 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.892 111.6 51.4 -54.2 -41.8 48.0 22.6 113.4 1173 402 C K H < S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.785 105.8 56.8 -68.8 -28.7 50.5 21.6 116.1 1174 403 C L H < 0 0 150 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.956 360.0 360.0 -67.0 -52.2 53.0 24.0 114.8 1175 404 C N < 0 0 159 -4,-2.0 -3,-0.1 -5,-0.1 -4,-0.0 0.421 360.0 360.0 -92.0 360.0 50.7 27.1 115.0 1176 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1177 1 D M >> 0 0 43 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -17.4 64.8 -4.4 44.2 1178 2 D E H 3> + 0 0 124 1,-0.2 4,-1.0 2,-0.2 0, 0.0 0.807 360.0 56.6 -51.6 -33.4 67.6 -5.0 46.6 1179 3 D A H 3> S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.928 110.0 41.5 -66.5 -47.1 69.0 -1.6 45.8 1180 4 D I H <> S+ 0 0 13 -3,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.905 111.1 55.7 -69.3 -41.7 65.9 0.4 46.6 1181 5 D L H X S+ 0 0 8 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.758 103.1 58.4 -63.5 -24.1 65.1 -1.6 49.8 1182 6 D S H X S+ 0 0 51 -4,-1.0 4,-1.5 -5,-0.3 -1,-0.2 0.928 104.8 47.2 -72.3 -46.6 68.6 -0.8 51.1 1183 7 D K H X S+ 0 0 72 -4,-1.3 4,-1.4 1,-0.2 -2,-0.2 0.896 112.8 51.6 -59.0 -40.9 68.1 3.0 50.9 1184 8 D M H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.929 106.9 51.7 -63.4 -46.2 64.7 2.5 52.7 1185 9 D K H X S+ 0 0 73 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.818 104.1 61.6 -59.7 -31.5 66.2 0.5 55.5 1186 10 D E H X S+ 0 0 121 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.958 109.4 35.8 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