==== 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 STRUCTURAL GENOMICS 16-APR-09 3H3M . COMPND 2 MOLECULE: FLAGELLAR PROTEIN FLIT; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR I.A.SHUMILIN,S.WANG,M.CHRUSZCZ,X.XU,B.LE,H.CUI,A.SAVCHENKO, . 171 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 86.5 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 . 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 . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 2 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 . 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 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 18 A A 0 0 113 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 161.2 19.1 39.6 52.3 2 19 A P >> + 0 0 104 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.765 360.0 61.0 -81.8 -27.8 21.7 38.6 49.6 3 20 A V H 3> S+ 0 0 18 1,-0.3 4,-1.6 2,-0.2 3,-0.2 0.790 97.5 61.6 -70.3 -27.5 21.6 41.6 47.3 4 21 A L H 3> S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.826 96.3 62.9 -59.8 -30.0 22.7 43.8 50.2 5 22 A E H <> S+ 0 0 48 -3,-0.6 4,-2.0 -4,-0.4 -2,-0.2 0.893 103.0 47.2 -65.4 -39.7 25.8 41.5 50.1 6 23 A I H X S+ 0 0 27 -4,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.858 108.3 52.9 -72.7 -37.9 26.8 42.7 46.6 7 24 A Y H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.902 109.8 51.0 -61.2 -39.0 26.2 46.4 47.4 8 25 A Q H X S+ 0 0 82 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.962 109.3 49.8 -61.6 -49.1 28.6 46.0 50.3 9 26 A D H X S+ 0 0 64 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.809 111.1 49.1 -59.3 -37.0 31.2 44.3 48.1 10 27 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.863 110.8 50.0 -71.0 -40.4 31.0 47.1 45.6 11 28 A A H X S+ 0 0 3 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.924 112.8 47.5 -59.2 -43.1 31.3 49.7 48.3 12 29 A N H X S+ 0 0 71 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.958 113.9 47.0 -67.2 -43.1 34.4 47.8 49.6 13 30 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.905 110.3 51.5 -62.2 -44.2 35.9 47.5 46.2 14 31 A T H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.809 107.7 54.4 -65.9 -28.0 35.3 51.2 45.5 15 32 A S H X S+ 0 0 49 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.874 107.6 49.4 -71.2 -39.8 37.0 52.1 48.8 16 33 A R H X S+ 0 0 103 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.917 109.2 52.7 -61.1 -40.3 40.0 50.0 47.6 17 34 A X H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.938 107.7 51.7 -62.7 -43.5 39.9 52.0 44.3 18 35 A L H X S+ 0 0 42 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.891 107.1 52.4 -55.9 -45.4 39.9 55.2 46.3 19 36 A A H X S+ 0 0 65 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.912 111.6 46.2 -58.8 -47.5 43.0 54.0 48.3 20 37 A A H ><>S+ 0 0 5 -4,-2.3 5,-3.0 2,-0.2 3,-0.5 0.909 112.3 50.1 -56.6 -49.8 44.9 53.3 45.0 21 38 A A H ><5S+ 0 0 2 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.918 106.3 56.7 -55.5 -45.4 43.8 56.6 43.5 22 39 A N H 3<5S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 110.7 43.4 -49.4 -35.8 45.1 58.3 46.7 23 40 A A T <<5S- 0 0 76 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.189 116.4-115.8 -98.8 9.3 48.5 56.7 46.0 24 41 A S T < 5 + 0 0 53 -3,-1.9 2,-1.4 1,-0.2 -3,-0.2 0.793 65.2 148.6 57.7 35.1 48.4 57.6 42.3 25 42 A N >< + 0 0 76 -5,-3.0 4,-2.3 1,-0.2 -1,-0.2 -0.700 13.7 168.7-102.7 81.7 48.3 53.9 41.4 26 43 A W H > S+ 0 0 9 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.907 71.9 55.2 -63.8 -37.2 46.3 54.3 38.3 27 44 A D H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.800 108.0 48.4 -71.5 -30.8 47.0 50.8 37.1 28 45 A L H > S+ 0 0 63 2,-0.2 4,-2.9 -3,-0.2 5,-0.3 0.934 108.2 54.3 -69.7 -46.5 45.7 49.2 40.3 29 46 A V H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.3 -2,-0.2 0.936 112.4 45.0 -53.0 -48.1 42.6 51.4 40.2 30 47 A L H < S+ 0 0 39 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.850 109.2 54.9 -61.9 -39.7 42.0 50.0 36.7 31 48 A N H >X S+ 0 0 101 -4,-1.8 3,-1.4 1,-0.2 4,-0.6 0.899 103.7 55.6 -64.1 -36.6 42.8 46.5 37.8 32 49 A H H 3X S+ 0 0 22 -4,-2.9 4,-2.0 1,-0.3 -1,-0.2 0.774 93.9 71.1 -62.7 -29.0 40.1 46.8 40.5 33 50 A G H 3X S+ 0 0 12 -4,-1.0 4,-1.7 -3,-0.3 -1,-0.3 0.721 87.1 65.0 -58.8 -22.1 37.6 47.7 37.7 34 51 A Q H <> S+ 0 0 90 -3,-1.4 4,-1.3 -4,-0.4 3,-0.2 0.969 106.7 39.4 -68.5 -48.4 37.8 44.0 36.6 35 52 A E H X S+ 0 0 82 -4,-0.6 4,-2.3 -3,-0.2 3,-0.3 0.911 110.6 63.6 -59.5 -42.1 36.2 42.8 39.8 36 53 A Y H X S+ 0 0 3 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.853 102.8 46.4 -53.2 -42.5 33.9 45.9 39.7 37 54 A V H X S+ 0 0 79 -4,-1.7 4,-2.1 -3,-0.2 -1,-0.3 0.824 110.9 52.9 -74.8 -32.8 32.2 44.7 36.4 38 55 A C H X S+ 0 0 90 -4,-1.3 4,-2.2 -3,-0.3 -2,-0.2 0.901 110.1 48.6 -59.0 -46.0 31.8 41.2 37.8 39 56 A L H X S+ 0 0 23 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.832 110.2 50.4 -70.0 -36.7 30.1 42.6 40.8 40 57 A V H X S+ 0 0 9 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.909 109.6 51.2 -70.7 -40.9 27.7 44.8 38.7 41 58 A E H X S+ 0 0 61 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.942 111.7 47.1 -57.7 -47.4 26.8 41.9 36.6 42 59 A R H X S+ 0 0 54 -4,-2.2 4,-1.4 1,-0.3 3,-0.5 0.898 111.1 51.8 -65.8 -40.3 26.0 39.8 39.7 43 60 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.875 105.3 57.1 -54.4 -42.5 24.0 42.7 41.0 44 61 A R H < S+ 0 0 121 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.780 102.3 53.8 -68.4 -24.5 22.2 42.8 37.8 45 62 A E H < S+ 0 0 163 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.887 114.5 40.0 -75.9 -40.3 21.0 39.1 38.1 46 63 A L H < S+ 0 0 65 -4,-1.4 -2,-0.2 -3,-0.1 -1,-0.2 0.756 101.0 122.1 -74.6 -28.8 19.5 39.7 41.7 47 64 A E < + 0 0 25 -4,-1.8 2,-0.1 -5,-0.2 3,-0.1 -0.767 45.0 31.2-112.2 149.2 18.0 43.1 40.9 48 65 A P S S- 0 0 64 0, 0.0 94,-0.1 0, 0.0 2,-0.1 0.493 90.3 -7.5 -87.7-176.1 15.4 44.5 40.9 49 66 A G + 0 0 17 1,-0.2 3,-0.0 -2,-0.1 89,-0.0 -0.182 39.3 129.4 81.5-177.8 13.0 43.2 43.5 50 67 A E S S- 0 0 158 -3,-0.1 -1,-0.2 -2,-0.1 0, 0.0 0.946 79.6 -96.6 -67.4-174.5 11.5 41.9 45.6 51 68 A P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 86,-0.1 0.052 44.2-115.6 -55.8-179.1 10.8 45.0 47.8 52 69 A L - 0 0 46 -51,-0.0 2,-0.1 3,-0.0 5,-0.1 -0.896 16.4-107.9-129.1 161.9 13.1 45.7 50.8 53 70 A D - 0 0 76 -2,-0.3 2,-1.7 1,-0.1 0, 0.0 0.169 37.4-120.3 -77.3 8.6 12.7 45.8 54.6 54 71 A E S > S+ 0 0 77 1,-0.2 4,-1.5 -2,-0.1 -1,-0.1 -0.298 117.5 55.6 75.5 -51.3 12.9 49.6 55.6 55 72 A A H > S+ 0 0 69 -2,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.920 111.6 41.8 -66.0 -49.5 15.9 48.6 57.7 56 73 A A H > S+ 0 0 27 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.514 109.5 61.7 -77.0 -6.8 17.5 47.1 54.6 57 74 A R H > S+ 0 0 120 2,-0.2 4,-2.8 3,-0.1 -2,-0.2 0.926 104.5 44.8 -80.5 -53.2 16.4 50.1 52.5 58 75 A G H X S+ 0 0 37 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.771 112.1 55.0 -59.8 -29.5 18.3 52.8 54.5 59 76 A X H X S+ 0 0 115 -4,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.890 110.2 43.5 -69.9 -44.4 21.4 50.4 54.5 60 77 A K H X S+ 0 0 26 -4,-0.9 4,-3.0 2,-0.2 5,-0.2 0.961 111.4 54.7 -67.9 -49.1 21.4 50.1 50.7 61 78 A F H X S+ 0 0 57 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.878 110.5 47.2 -47.6 -47.1 20.8 53.8 50.3 62 79 A D H X S+ 0 0 110 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.931 110.1 51.8 -58.7 -53.3 23.9 54.3 52.5 63 80 A L H X S+ 0 0 22 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 111.2 48.6 -51.0 -45.3 26.0 51.9 50.5 64 81 A L H X S+ 0 0 0 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.939 108.5 51.3 -61.9 -49.7 25.0 53.7 47.4 65 82 A V H X S+ 0 0 8 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.931 113.7 47.5 -53.8 -42.0 25.9 57.1 48.8 66 83 A R H X S+ 0 0 123 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.878 112.2 47.7 -65.1 -43.1 29.2 55.6 49.7 67 84 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.923 115.3 45.4 -64.8 -48.3 29.8 53.9 46.3 68 85 A L H X S+ 0 0 1 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.928 112.1 51.2 -61.7 -45.3 28.9 57.1 44.5 69 86 A E H X S+ 0 0 41 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.890 111.8 48.9 -58.5 -39.3 31.1 59.3 46.9 70 87 A N H X S+ 0 0 11 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.913 109.7 50.5 -65.9 -40.3 34.0 56.9 46.2 71 88 A D H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.933 113.2 46.2 -63.2 -46.0 33.5 57.1 42.5 72 89 A A H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.903 110.1 53.8 -62.9 -40.4 33.5 60.9 42.7 73 90 A A H X S+ 0 0 30 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.883 106.7 51.7 -67.6 -38.5 36.6 61.0 44.9 74 91 A V H >X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 3,-1.1 0.944 112.0 46.4 -59.5 -49.9 38.6 58.8 42.5 75 92 A R H 3X S+ 0 0 16 -4,-1.8 4,-2.5 1,-0.3 -2,-0.2 0.890 109.6 54.5 -59.3 -40.2 37.8 61.1 39.6 76 93 A D H 3< S+ 0 0 70 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.593 111.5 45.1 -76.1 -12.2 38.6 64.1 41.8 77 94 A L H S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.934 112.3 46.3 -67.3 -33.4 43.3 67.3 37.9 81 98 A Q H X S+ 0 0 69 -4,-0.5 4,-2.2 -3,-0.2 -2,-0.2 0.877 113.8 48.1 -66.8 -39.9 46.5 65.5 37.3 82 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.976 111.9 48.7 -64.4 -54.2 45.4 64.2 33.8 83 100 A A H X S+ 0 0 15 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.915 113.3 48.4 -47.5 -55.2 44.2 67.7 32.8 84 101 A R H X S+ 0 0 166 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.918 114.3 43.6 -50.7 -53.3 47.5 69.2 33.9 85 102 A L H X S+ 0 0 28 -4,-2.2 4,-1.3 1,-0.2 3,-0.3 0.840 111.6 54.6 -71.4 -32.9 49.7 66.7 32.1 86 103 A S H < S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.943 100.9 59.4 -63.1 -47.1 47.6 66.8 29.0 87 104 A D H < S+ 0 0 99 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.796 104.9 53.4 -46.6 -34.9 48.0 70.6 28.9 88 105 A L H < 0 0 97 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.940 360.0 360.0 -72.5 -51.6 51.8 70.0 28.7 89 106 A L < 0 0 123 -4,-1.3 -3,-0.0 -3,-0.2 0, 0.0 0.082 360.0 360.0 -65.2 360.0 52.2 67.6 25.7 90 !* 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 91 19 B P > 0 0 142 0, 0.0 3,-2.0 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0-160.7 10.8 61.7 43.9 92 20 B V T 3> + 0 0 59 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.488 360.0 77.3 -54.3 -12.3 14.4 60.5 44.6 93 21 B L H 3> S+ 0 0 40 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.818 84.8 61.3 -64.6 -34.5 14.2 59.2 41.0 94 22 B E H <> S+ 0 0 52 -3,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.905 105.8 45.3 -56.6 -45.8 14.7 62.9 39.9 95 23 B I H > S+ 0 0 27 -4,-0.5 4,-3.1 2,-0.2 5,-0.2 0.966 113.6 48.3 -64.5 -55.6 18.0 62.9 41.6 96 24 B Y H X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.860 111.8 51.4 -51.7 -39.7 19.0 59.5 40.2 97 25 B Q H X S+ 0 0 44 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.961 110.5 47.9 -65.2 -46.6 17.9 60.8 36.8 98 26 B D H X S+ 0 0 74 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.882 112.5 47.8 -64.5 -38.8 20.0 63.8 37.1 99 27 B I H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.912 112.5 49.7 -67.4 -43.2 23.1 62.0 38.3 100 28 B A H X S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.956 113.0 46.6 -56.3 -52.9 22.7 59.4 35.5 101 29 B N H X S+ 0 0 66 -4,-2.7 4,-2.2 1,-0.2 3,-0.5 0.913 110.5 52.5 -55.0 -47.0 22.3 62.2 32.8 102 30 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.904 105.9 53.9 -57.5 -40.6 25.3 64.1 34.2 103 31 B T H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.762 105.2 55.0 -70.8 -25.0 27.4 61.0 33.9 104 32 B S H X S+ 0 0 45 -4,-1.3 4,-2.8 -3,-0.5 -1,-0.2 0.899 106.9 49.0 -68.8 -47.0 26.4 60.7 30.3 105 33 B R H X S+ 0 0 104 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.881 111.9 50.7 -57.4 -36.7 27.7 64.2 29.7 106 34 B X H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.886 108.8 50.4 -69.6 -37.8 30.9 63.2 31.5 107 35 B L H X S+ 0 0 40 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.943 111.6 48.8 -61.4 -48.2 31.2 60.1 29.3 108 36 B A H X S+ 0 0 63 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.864 114.1 45.6 -58.4 -41.6 30.8 62.3 26.2 109 37 B A H ><>S+ 0 0 5 -4,-2.0 5,-2.0 2,-0.2 3,-0.8 0.956 111.7 52.3 -65.6 -50.8 33.4 64.8 27.5 110 38 B A H ><5S+ 0 0 2 -4,-3.0 3,-2.6 1,-0.3 -2,-0.2 0.932 106.1 54.3 -47.7 -54.4 35.8 61.9 28.4 111 39 B N H 3<5S+ 0 0 104 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.831 110.8 46.1 -50.2 -36.5 35.4 60.5 24.9 112 40 B A T <<5S- 0 0 75 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.384 113.2-121.5 -87.6 -0.3 36.5 63.9 23.7 113 41 B S T < 5 + 0 0 57 -3,-2.6 2,-1.4 -4,-0.3 -3,-0.2 0.713 63.9 144.8 63.6 24.2 39.4 64.1 26.2 114 42 B N >>< + 0 0 73 -5,-2.0 4,-2.1 1,-0.2 3,-0.6 -0.587 16.3 167.8 -90.0 73.0 37.9 67.3 27.7 115 43 B W H 3> S+ 0 0 8 -2,-1.4 4,-2.9 1,-0.3 -1,-0.2 0.792 70.0 58.4 -61.9 -33.7 39.0 66.5 31.3 116 44 B D H 3> S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.880 107.5 46.6 -58.1 -45.7 38.3 70.0 32.6 117 45 B L H <> S+ 0 0 69 -3,-0.6 4,-2.1 2,-0.2 5,-0.2 0.923 110.9 51.4 -68.4 -42.7 34.8 69.7 31.5 118 46 B V H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.953 111.9 49.8 -54.3 -47.0 34.5 66.2 33.1 119 47 B L H X S+ 0 0 39 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.840 107.1 53.1 -60.0 -36.0 35.9 67.9 36.2 120 48 B N H >X S+ 0 0 87 -4,-1.8 4,-0.8 1,-0.2 3,-0.6 0.857 107.7 50.2 -72.5 -36.2 33.4 70.8 36.1 121 49 B H H 3X S+ 0 0 32 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.760 97.8 71.6 -66.3 -26.0 30.4 68.4 36.0 122 50 B G H 3X S+ 0 0 2 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.821 92.2 55.7 -63.5 -30.6 32.0 66.6 39.0 123 51 B Q H - 0 0 109 1,-0.1 4,-1.9 -86,-0.1 5,-0.2 -0.151 360.0-101.0 -73.5 172.3 6.5 50.6 43.9 138 71 B E H > S+ 0 0 115 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.900 121.7 49.7 -70.2 -45.1 7.9 47.9 41.5 139 72 B A H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.863 113.5 50.0 -52.2 -41.4 7.9 50.0 38.3 140 73 B A H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.825 109.2 49.4 -71.6 -33.8 9.7 52.7 40.3 141 74 B R H X S+ 0 0 40 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.865 109.7 51.5 -77.3 -33.8 12.3 50.3 41.7 142 75 B G H X S+ 0 0 17 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.894 111.4 49.6 -61.6 -39.6 13.0 49.0 38.2 143 76 B X H X S+ 0 0 95 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.936 113.1 44.3 -63.8 -51.0 13.4 52.6 37.1 144 77 B K H X S+ 0 0 27 -4,-2.2 4,-2.5 2,-0.2 3,-0.5 0.912 112.6 52.1 -58.2 -49.4 15.8 53.4 39.9 145 78 B F H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.918 108.3 51.6 -58.7 -45.1 17.8 50.2 39.5 146 79 B D H X S+ 0 0 107 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.765 110.7 48.6 -53.4 -35.4 18.2 51.0 35.7 147 80 B L H X S+ 0 0 18 -4,-1.2 4,-3.0 -3,-0.5 -2,-0.2 0.899 109.7 52.1 -76.6 -44.6 19.5 54.5 36.5 148 81 B L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.943 108.1 50.3 -54.3 -52.3 21.9 53.1 39.0 149 82 B V H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.878 111.3 50.4 -58.0 -37.7 23.4 50.6 36.5 150 83 B R H X S+ 0 0 78 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.934 111.1 47.0 -67.3 -47.0 23.8 53.4 34.1 151 84 B I H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.912 114.1 48.7 -55.9 -46.9 25.6 55.6 36.7 152 85 B L H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.917 113.0 46.8 -61.2 -47.3 27.8 52.6 37.7 153 86 B E H X S+ 0 0 93 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.878 111.5 52.9 -60.1 -37.6 28.6 51.8 34.0 154 87 B N H X S+ 0 0 16 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.901 107.2 48.8 -70.6 -40.7 29.4 55.5 33.3 155 88 B D H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.928 115.1 46.7 -62.1 -44.1 31.8 56.0 36.1 156 89 B A H X S+ 0 0 9 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.909 110.2 52.6 -68.3 -39.7 33.6 52.9 35.0 157 90 B A H X S+ 0 0 30 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.911 110.7 47.6 -64.2 -40.0 33.6 53.9 31.3 158 91 B V H X S+ 0 0 5 -4,-2.6 4,-3.2 2,-0.2 3,-0.5 0.946 111.5 49.6 -66.0 -46.1 35.1 57.3 32.2 159 92 B R H X S+ 0 0 21 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.923 108.7 54.5 -56.3 -45.4 37.9 55.6 34.4 160 93 B D H < S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.793 115.3 38.7 -60.9 -31.3 38.6 53.2 31.5 161 94 B L H X S+ 0 0 64 -4,-1.3 4,-0.8 -3,-0.5 -2,-0.2 0.929 122.4 41.0 -76.7 -53.2 39.1 56.1 29.1 162 95 B A H X S+ 0 0 2 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.852 107.4 56.7 -68.8 -41.6 41.0 58.5 31.6 163 96 B L H X S+ 0 0 4 -4,-2.7 4,-3.3 -5,-0.3 5,-0.2 0.816 100.0 52.0 -74.8 -36.3 43.3 56.2 33.5 164 97 B P H > S+ 0 0 37 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.918 112.6 49.6 -65.7 -34.2 45.4 54.5 30.8 165 98 B Q H X S+ 0 0 65 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.941 114.8 44.6 -62.8 -43.9 46.2 58.0 29.5 166 99 B L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.895 109.5 55.1 -67.5 -42.3 47.1 59.1 33.0 167 100 B A H X S+ 0 0 18 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.952 113.6 41.8 -56.8 -43.3 49.1 56.0 33.7 168 101 B R H X S+ 0 0 149 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.845 114.3 49.8 -83.2 -28.8 51.3 56.6 30.6 169 102 B L H X S+ 0 0 21 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.880 110.2 49.5 -71.7 -38.8 51.7 60.4 31.0 170 103 B S H < S+ 0 0 41 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.840 109.1 55.5 -64.1 -34.3 52.8 60.2 34.8 171 104 B D H < S+ 0 0 142 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.840 109.5 44.2 -66.3 -39.4 55.3 57.5 33.7 172 105 B L H < 0 0 126 -4,-1.1 -2,-0.2 -5,-0.1 -1,-0.2 0.988 360.0 360.0 -64.9 -55.7 56.8 59.9 31.2 173 106 B L < 0 0 105 -4,-2.4 -3,-0.1 -5,-0.1 -4,-0.0 0.588 360.0 360.0 -88.5 360.0 56.8 62.8 33.6