==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUN-07 2Q9L . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO SP. DAT722; . AUTHOR A.ROBINSON,A.P.GUILFOYLE,S.J.HARROP,Y.BOUCHER,H.W.STOKES,P.M . 337 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 10 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 0 0 0 0 0 0 0 3 0 3 0 0 0 0 4 0 2 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 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 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 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 1 A M 0 0 39 0, 0.0 93,-2.9 0, 0.0 94,-0.3 0.000 360.0 360.0 360.0 108.0 6.4 18.4 1.1 2 2 A K B > -A 93 0A 81 91,-0.3 4,-2.5 1,-0.1 91,-0.2 -0.617 360.0-128.2 -76.5 141.4 3.1 17.9 2.9 3 3 A L H > S+ 0 0 0 89,-2.2 4,-2.1 -2,-0.3 5,-0.2 0.857 110.2 50.0 -60.1 -40.4 1.4 21.2 3.9 4 4 A S H > S+ 0 0 41 88,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.841 110.9 51.2 -64.2 -34.9 1.0 20.1 7.5 5 5 A E H > S+ 0 0 98 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.886 108.4 50.6 -71.4 -42.9 4.7 19.1 7.6 6 6 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.937 113.3 45.5 -54.8 -52.1 5.8 22.5 6.3 7 7 A Q H X S+ 0 0 15 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.914 116.1 46.6 -57.6 -47.9 3.7 24.3 9.0 8 8 A S H X S+ 0 0 65 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.819 111.6 50.6 -66.8 -35.3 5.0 21.9 11.6 9 9 A H H X S+ 0 0 85 -4,-2.5 4,-1.1 2,-0.2 3,-0.2 0.886 110.1 50.1 -68.8 -41.5 8.7 22.2 10.4 10 10 A I H X S+ 0 0 10 -4,-2.4 4,-1.8 1,-0.2 3,-0.3 0.887 107.3 55.0 -63.3 -40.5 8.4 26.0 10.5 11 11 A K H < S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.776 101.3 60.5 -63.5 -30.9 7.0 25.8 14.1 12 12 A E H < S+ 0 0 132 -4,-1.0 -1,-0.2 -3,-0.2 3,-0.2 0.911 120.2 22.2 -61.1 -45.5 10.1 23.8 15.2 13 13 A F H < S+ 0 0 179 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.507 132.9 34.6-107.3 -4.8 12.6 26.5 14.3 14 14 A D < + 0 0 35 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 -0.576 68.9 130.0-152.7 81.8 10.4 29.7 14.4 15 15 A Y + 0 0 98 -3,-0.2 -4,-0.0 -2,-0.1 53,-0.0 -0.822 8.7 150.4-140.0 100.4 7.6 29.8 17.0 16 16 A A > - 0 0 24 -2,-0.3 3,-1.8 3,-0.1 6,-0.1 -0.807 15.4-178.6-127.3 88.6 7.2 32.9 19.3 17 17 A P G > S+ 0 0 67 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.722 80.4 61.5 -66.6 -20.9 3.5 33.3 20.1 18 18 A E G 3 S+ 0 0 195 1,-0.2 3,-0.1 2,-0.1 54,-0.0 0.340 99.2 61.0 -83.0 7.7 4.0 36.4 22.2 19 19 A Q G <> + 0 0 110 -3,-1.8 4,-1.2 1,-0.1 -1,-0.2 -0.345 57.1 141.8-127.8 48.4 5.4 38.1 19.0 20 20 A S H <> S+ 0 0 44 -3,-0.5 4,-1.5 1,-0.2 5,-0.1 0.802 72.5 56.4 -61.3 -29.5 2.3 37.9 16.7 21 21 A E H > S+ 0 0 27 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.897 98.0 61.1 -72.2 -40.3 3.2 41.4 15.4 22 22 A H H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.922 108.0 44.9 -43.2 -53.4 6.6 40.3 14.3 23 23 A Y H X S+ 0 0 2 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.829 112.9 48.5 -68.5 -37.8 5.1 37.8 12.0 24 24 A F H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.932 112.6 49.2 -68.2 -45.5 2.4 40.1 10.5 25 25 A F H X S+ 0 0 18 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.934 111.2 49.9 -52.3 -52.4 5.1 42.7 9.9 26 26 A K H X S+ 0 0 33 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.856 107.0 55.5 -57.5 -39.5 7.3 40.1 8.2 27 27 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.942 108.5 47.3 -56.9 -48.9 4.4 39.0 6.0 28 28 A I H X S+ 0 0 7 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.893 108.7 55.8 -64.2 -39.0 3.9 42.6 4.8 29 29 A E H X S+ 0 0 7 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.891 109.5 46.0 -52.6 -46.8 7.7 42.9 4.1 30 30 A E H X S+ 0 0 14 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.829 108.3 54.5 -71.8 -36.0 7.6 39.8 1.8 31 31 A V H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.892 109.7 49.0 -65.0 -37.0 4.5 40.9 -0.1 32 32 A G H X S+ 0 0 4 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.885 113.1 46.7 -68.3 -38.0 6.4 44.1 -0.8 33 33 A E H X S+ 0 0 68 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.857 110.7 52.8 -69.8 -35.3 9.4 42.1 -1.9 34 34 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 24,-0.2 -2,-0.2 0.891 105.4 54.6 -63.3 -38.0 7.2 39.9 -4.0 35 35 A S H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.871 106.0 52.0 -66.4 -37.3 5.7 42.9 -5.7 36 36 A E H X S+ 0 0 63 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.912 109.0 50.9 -61.6 -45.5 9.1 44.1 -6.7 37 37 A S H <>S+ 0 0 3 -4,-1.8 5,-2.4 2,-0.2 18,-0.3 0.880 111.6 45.6 -61.0 -46.0 9.9 40.7 -8.2 38 38 A I H ><5S+ 0 0 15 -4,-2.3 3,-2.1 3,-0.2 -2,-0.2 0.958 112.2 52.5 -62.7 -46.7 6.7 40.6 -10.3 39 39 A R H 3<5S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.899 111.4 46.4 -54.1 -44.6 7.4 44.2 -11.4 40 40 A K T 3<5S- 0 0 103 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.392 111.6-124.5 -80.0 1.5 10.9 43.3 -12.5 41 41 A G T < 5 + 0 0 52 -3,-2.1 2,-1.6 1,-0.2 -3,-0.2 0.812 50.4 160.7 60.7 34.6 9.5 40.2 -14.3 42 42 A K < + 0 0 94 -5,-2.4 13,-2.6 11,-0.2 14,-0.5 -0.326 24.6 147.6 -86.1 57.5 11.8 37.7 -12.4 43 43 A S + 0 0 66 -2,-1.6 122,-0.2 11,-0.2 2,-0.1 -0.206 20.3 63.6 -81.9 175.2 9.6 34.7 -13.3 44 44 A G S S- 0 0 28 120,-3.1 12,-0.3 2,-0.1 123,-0.1 -0.400 92.7 -59.5 101.9 179.5 10.4 31.1 -13.9 45 45 A Q - 0 0 64 -2,-0.1 121,-0.1 121,-0.1 -2,-0.1 -0.884 61.0-145.0-104.5 103.7 12.0 28.4 -11.8 46 46 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.263 4.9-131.7 -67.9 147.7 15.4 29.6 -10.6 47 47 A T > - 0 0 75 1,-0.0 3,-0.6 127,-0.0 4,-0.3 -0.214 49.5 -84.6 -71.6-179.2 18.6 27.7 -10.1 48 48 A L G > S+ 0 0 76 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.826 129.6 48.6 -64.2 -34.5 20.4 28.4 -6.8 49 49 A D G 3 S+ 0 0 137 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.627 111.7 49.0 -83.7 -15.6 22.3 31.4 -8.1 50 50 A E G < S+ 0 0 117 -3,-0.6 4,-0.2 1,-0.1 -1,-0.2 0.374 89.2 91.8 -97.4 1.1 19.2 33.0 -9.6 51 51 A L X + 0 0 1 -3,-0.6 3,-1.5 -4,-0.3 6,-0.4 0.875 58.0 88.5 -70.4 -42.5 17.2 32.5 -6.4 52 52 A K T 3 S+ 0 0 190 -4,-0.3 3,-0.1 1,-0.3 4,-0.0 -0.390 107.7 3.5 -61.1 123.3 17.8 35.8 -4.6 53 53 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.3 -2,-0.2 -11,-0.2 0.211 97.8 139.8 88.0 -15.3 15.2 38.4 -5.6 54 54 A S <> - 0 0 6 -3,-1.5 4,-1.9 -4,-0.2 -1,-0.3 -0.190 66.3-120.5 -61.8 148.4 13.2 35.9 -7.8 55 55 A V H > S+ 0 0 0 -13,-2.6 4,-2.5 -18,-0.3 5,-0.2 0.895 116.3 58.9 -50.8 -42.2 9.5 35.7 -7.9 56 56 A A H > S+ 0 0 0 -14,-0.5 4,-2.0 -12,-0.3 -1,-0.2 0.903 105.6 45.8 -54.8 -48.0 9.9 32.1 -6.8 57 57 A E H > S+ 0 0 20 -6,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.861 112.7 49.5 -67.5 -37.8 11.8 33.1 -3.6 58 58 A E H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -24,-0.2 0.894 110.3 50.0 -72.1 -40.4 9.3 35.9 -2.6 59 59 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.904 113.0 48.4 -59.2 -42.1 6.3 33.6 -3.1 60 60 A Y H X S+ 0 0 9 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.976 110.0 50.1 -62.0 -53.0 8.1 31.1 -0.9 61 61 A D H X S+ 0 0 17 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.836 112.1 49.0 -53.9 -36.9 8.9 33.8 1.8 62 62 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 -32,-0.2 -1,-0.2 0.926 110.0 51.1 -67.3 -44.9 5.2 34.8 1.7 63 63 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.893 106.2 57.3 -51.9 -41.5 4.2 31.1 2.0 64 64 A Y H X S+ 0 0 53 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.890 109.2 42.5 -62.4 -42.3 6.6 30.9 5.0 65 65 A Y H X S+ 0 0 28 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.744 109.0 57.7 -82.8 -22.1 4.8 33.7 7.0 66 66 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.943 112.7 42.3 -64.0 -48.5 1.4 32.4 6.1 67 67 A C H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.862 115.0 49.2 -61.8 -43.8 2.4 29.1 7.7 68 68 A A H X S+ 0 0 2 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.809 111.5 49.3 -71.5 -32.3 4.1 30.8 10.7 69 69 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.891 107.9 55.4 -69.1 -38.9 1.0 33.1 11.2 70 70 A A H <>S+ 0 0 0 -4,-2.0 5,-3.1 1,-0.2 4,-0.3 0.930 107.7 48.6 -56.4 -46.7 -1.1 30.0 11.1 71 71 A N H ><5S+ 0 0 11 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.912 113.4 47.4 -58.2 -45.9 1.0 28.4 13.9 72 72 A I H 3<5S+ 0 0 21 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 114.9 45.4 -63.5 -39.1 0.7 31.6 16.0 73 73 A H T 3<5S- 0 0 19 -4,-2.6 62,-3.3 -5,-0.1 -1,-0.2 0.270 114.6-111.4 -94.1 10.4 -3.0 31.9 15.5 74 74 A G T < 5 + 0 0 47 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.801 65.1 153.0 64.3 33.7 -3.8 28.2 16.2 75 75 A V < - 0 0 5 -5,-3.1 2,-0.7 -6,-0.2 -1,-0.2 -0.798 39.7-153.3 -99.9 132.6 -4.8 27.5 12.6 76 76 A N > - 0 0 66 -2,-0.4 4,-2.4 1,-0.1 5,-0.1 -0.924 9.8-166.9 -99.9 107.2 -4.5 24.2 10.8 77 77 A L H > S+ 0 0 0 -2,-0.7 4,-2.7 1,-0.2 -1,-0.1 0.838 85.8 51.0 -65.5 -36.3 -4.1 25.1 7.1 78 78 A E H > S+ 0 0 20 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.851 112.7 45.7 -70.8 -39.3 -4.8 21.5 5.9 79 79 A K H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.873 113.9 50.2 -66.3 -40.3 -8.0 21.3 8.0 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.893 107.8 53.5 -65.5 -41.7 -8.9 24.8 6.7 81 81 A H H X S+ 0 0 11 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.898 108.2 50.5 -55.3 -45.1 -8.2 23.7 3.1 82 82 A E H X S+ 0 0 102 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.919 110.7 48.7 -59.9 -46.2 -10.6 20.7 3.6 83 83 A L H X S+ 0 0 29 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.879 109.6 51.5 -63.5 -41.6 -13.4 23.0 4.9 84 84 A K H X S+ 0 0 30 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.841 103.8 59.3 -63.2 -37.6 -13.0 25.5 2.0 85 85 A E H X S+ 0 0 75 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.899 105.3 49.8 -51.4 -46.0 -13.3 22.6 -0.4 86 86 A V H X S+ 0 0 63 -4,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.929 112.1 45.5 -63.3 -49.8 -16.7 21.9 1.1 87 87 A L H < S+ 0 0 77 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.9 53.0 -64.3 -34.0 -17.9 25.5 0.8 88 88 A N H < S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 106.1 52.6 -70.7 -33.6 -16.6 25.8 -2.8 89 89 A K H < 0 0 155 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.792 360.0 360.0 -70.2 -28.7 -18.5 22.6 -3.9 90 90 A V < 0 0 158 -4,-1.2 -2,-0.2 -5,-0.1 -3,-0.1 0.994 360.0 360.0 -74.0 360.0 -21.8 24.0 -2.6 91 !* 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 92 1 B M 0 0 41 0, 0.0 -89,-2.2 0, 0.0 -88,-0.3 0.000 360.0 360.0 360.0 99.7 -2.3 17.3 1.0 93 2 B K B > -A 2 0A 79 -91,-0.2 4,-2.1 1,-0.1 -91,-0.3 -0.469 360.0-128.6 -68.2 143.4 1.0 17.7 -0.8 94 3 B L H > S+ 0 0 0 -93,-2.9 4,-2.1 1,-0.2 74,-0.1 0.830 111.7 50.2 -63.7 -34.7 2.0 21.3 -1.5 95 4 B S H > S+ 0 0 34 -94,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.805 110.0 52.0 -72.6 -29.6 2.7 20.4 -5.2 96 5 B E H > S+ 0 0 90 2,-0.2 4,-2.4 3,-0.2 -2,-0.2 0.838 108.5 50.2 -69.8 -37.6 -0.7 18.8 -5.3 97 6 B L H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.948 112.1 47.9 -62.7 -48.5 -2.4 21.9 -3.9 98 7 B Q H X S+ 0 0 18 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.891 116.4 42.8 -57.9 -44.3 -0.6 24.0 -6.6 99 8 B S H X S+ 0 0 60 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.810 111.5 53.7 -77.7 -30.7 -1.7 21.6 -9.3 100 9 B H H X S+ 0 0 85 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.892 111.5 46.8 -65.9 -41.1 -5.2 21.2 -8.0 101 10 B I H X S+ 0 0 10 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.818 110.3 53.5 -66.2 -33.4 -5.5 25.0 -8.1 102 11 B K H < S+ 0 0 99 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.813 102.0 59.8 -69.4 -31.5 -4.0 25.0 -11.6 103 12 B E H < S+ 0 0 135 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.798 120.0 24.9 -62.9 -30.0 -6.7 22.5 -12.7 104 13 B F H < S+ 0 0 182 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.559 129.2 31.6-119.0 -10.1 -9.4 24.9 -11.9 105 14 B D < + 0 0 39 -4,-1.6 2,-0.4 -5,-0.1 -1,-0.2 -0.616 67.5 136.8-156.2 80.9 -8.0 28.4 -12.0 106 15 B Y + 0 0 105 -3,-0.2 3,-0.1 -2,-0.1 -4,-0.1 -0.848 3.8 147.8-136.8 98.4 -5.3 29.1 -14.6 107 16 B A > + 0 0 23 -2,-0.4 3,-2.4 3,-0.1 7,-0.2 -0.744 14.6 178.3-127.8 82.9 -5.3 32.2 -16.7 108 17 B P T 3 S+ 0 0 63 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.704 80.2 62.7 -66.7 -16.7 -1.6 33.1 -17.3 109 18 B E T 3 S+ 0 0 192 1,-0.2 3,-0.2 -3,-0.1 -3,-0.0 0.416 97.9 61.2 -81.0 1.8 -2.7 36.1 -19.5 110 19 B Q <> + 0 0 111 -3,-2.4 4,-1.4 1,-0.1 -1,-0.2 -0.359 58.3 142.7-120.7 52.8 -4.3 37.6 -16.4 111 20 B S H > S+ 0 0 47 -3,-0.5 4,-1.5 1,-0.2 -1,-0.1 0.813 72.0 55.1 -61.3 -30.6 -1.3 37.9 -14.2 112 21 B E H > S+ 0 0 27 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.916 98.6 60.4 -71.9 -43.3 -2.7 41.2 -12.7 113 22 B H H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 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111.0 46.1 -59.9 -45.2 -6.2 43.2 3.4 124 33 B E H X S+ 0 0 78 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.869 110.7 53.8 -66.7 -34.7 -8.9 40.9 4.6 125 34 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.908 104.5 54.5 -62.3 -45.8 -6.3 39.0 6.7 126 35 B S H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.887 109.1 49.8 -52.5 -43.8 -5.2 42.2 8.4 127 36 B E H X S+ 0 0 61 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.907 109.2 49.7 -63.8 -44.7 -8.8 42.7 9.3 128 37 B S H <>S+ 0 0 3 -4,-2.0 5,-2.4 2,-0.2 4,-0.4 0.896 113.3 46.3 -64.8 -39.3 -9.3 39.2 10.8 129 38 B I H ><5S+ 0 0 16 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.920 110.7 53.0 -67.6 -42.9 -6.1 39.6 12.9 130 39 B R H 3<5S+ 0 0 75 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.874 110.4 47.9 -58.1 -40.9 -7.1 43.0 14.1 131 40 B K T 3<5S- 0 0 101 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.539 112.3-122.3 -80.5 -6.1 -10.5 41.7 15.2 132 41 B G T < 5 + 0 0 51 -3,-1.1 2,-2.1 -4,-0.4 -3,-0.2 0.799 52.3 159.0 73.6 30.4 -8.8 38.7 17.0 133 42 B K < + 0 0 94 -5,-2.4 13,-2.8 -6,-0.1 14,-0.5 -0.388 26.6 147.3 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4,-2.0 1,-0.2 -1,-0.2 0.837 107.7 55.4 -59.7 -36.3 16.6 25.3 -2.6 175 84 B K H X S+ 0 0 30 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.854 102.8 56.5 -64.1 -35.7 15.8 27.5 0.4 176 85 B E H < S+ 0 0 66 -4,-1.6 4,-0.5 -3,-0.2 -1,-0.2 0.824 106.7 50.2 -59.2 -36.6 16.8 24.5 2.7 177 86 B V H >X S+ 0 0 65 -4,-1.2 4,-1.7 2,-0.2 3,-1.0 0.947 111.9 45.9 -69.3 -50.6 20.2 24.4 0.9 178 87 B L H 3< S+ 0 0 69 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.860 109.7 56.2 -54.7 -41.6 20.7 28.1 1.5 179 88 B N T 3< S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.587 109.4 45.3 -75.8 -10.3 19.6 27.8 5.1 180 89 B K T <4 0 0 163 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.706 360.0 360.0 -97.8 -28.2 22.2 25.1 5.8 181 90 B V < 0 0 161 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.934 360.0 360.0 -85.9 360.0 25.1 27.0 4.1 182 !* 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 0.0 183 12 C E 0 0 225 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.1 7.2 59.2 -18.5 184 13 C F + 0 0 68 1,-0.1 3,-0.1 3,-0.0 6,-0.0 -0.992 360.0 178.9-122.8 133.8 4.4 56.7 -19.2 185 14 C D + 0 0 163 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.777 69.2 63.0-105.0 -30.8 2.1 56.9 -22.3 186 15 C Y S >> S- 0 0 136 1,-0.1 4,-1.2 2,-0.0 3,-0.6 -0.871 76.6-148.2 -95.4 119.3 -0.3 53.9 -22.0 187 16 C A H 3> S+ 0 0 44 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.788 90.5 55.0 -69.8 -37.9 -2.3 54.5 -18.7 188 17 C P H 3> S+ 0 0 50 0, 0.0 4,-2.8 0, 0.0 -1,-0.3 0.871 109.3 53.2 -57.6 -33.1 -3.0 50.9 -17.5 189 18 C E H <> S+ 0 0 108 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.870 109.7 46.5 -69.2 -36.2 0.8 50.5 -17.6 190 19 C Q H X S+ 0 0 36 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.926 114.2 47.6 -68.4 -48.4 1.4 53.6 -15.5 191 20 C S H X S+ 0 0 12 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.932 111.1 51.8 -55.5 -49.7 -1.3 52.5 -13.0 192 21 C E H X S+ 0 0 64 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.932 110.8 48.0 -57.1 -45.5 0.2 49.0 -12.8 193 22 C H H X S+ 0 0 45 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.946 112.4 47.8 -56.7 -53.2 3.7 50.4 -12.1 194 23 C Y H X S+ 0 0 27 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.829 110.9 51.7 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