==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-NOV-09 2WYE . COMPND 2 MOLECULE: ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.BOKHOVE,P.NADAL JIMENEZ,W.J.QUAX,B.W.DIJKSTRA . 710 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 484 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 19.9 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 . 41 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 3 1 2 1 0 4 1 2 2 1 0 0 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 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 . 6 4 4 6 2 3 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 1 1 0 0 1 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 6 A T 0 0 131 0, 0.0 3,-0.1 0, 0.0 103,-0.0 0.000 360.0 360.0 360.0 175.8 19.2 33.2 75.3 2 7 A G + 0 0 48 709,-0.6 2,-0.5 1,-0.3 22,-0.2 0.819 360.0 140.4 74.8 30.1 19.8 36.2 77.6 3 8 A L + 0 0 4 708,-1.8 708,-2.1 20,-0.1 2,-0.3 -0.938 16.4 148.4-112.3 121.1 19.2 38.4 74.6 4 9 A A E +A 710 0A 29 -2,-0.5 16,-0.3 706,-0.2 2,-0.3 -0.965 12.9 173.0-155.2 139.2 17.2 41.6 75.0 5 10 A A E -A 709 0A 7 704,-2.5 704,-2.7 -2,-0.3 2,-0.5 -0.987 24.3-142.2-144.7 152.9 17.2 45.0 73.3 6 11 A D E -AB 708 18A 16 12,-2.6 12,-3.0 -2,-0.3 2,-0.5 -0.980 24.8-167.3-113.3 125.1 15.3 48.2 73.2 7 12 A I E -AB 707 17A 0 700,-3.1 700,-2.8 -2,-0.5 2,-0.4 -0.958 10.7-176.1-120.7 127.7 15.0 49.8 69.7 8 13 A R E -AB 706 16A 18 8,-2.3 8,-2.9 -2,-0.5 2,-0.4 -0.976 11.0-157.4-114.5 135.6 13.8 53.3 68.9 9 14 A W E -AB 705 15A 12 696,-2.6 696,-1.9 -2,-0.4 2,-0.1 -0.955 8.8-170.9-111.0 134.9 13.4 54.3 65.2 10 15 A T E >> - B 0 14A 5 4,-2.2 3,-1.5 -2,-0.4 4,-0.6 -0.403 48.8 -39.0-105.4-171.4 13.5 58.0 64.2 11 16 A A G >4 S+ 0 0 22 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 -0.084 127.8 22.8 -49.2 146.9 12.7 59.5 60.8 12 17 A Y G 34 S- 0 0 60 1,-0.2 655,-0.4 -3,-0.1 -1,-0.2 0.552 128.2 -75.7 70.0 10.9 13.9 57.6 57.7 13 18 A G G <4 S+ 0 0 1 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.780 76.1 163.8 74.5 30.9 14.0 54.4 59.7 14 19 A V E << -B 10 0A 5 -3,-0.9 -4,-2.2 -4,-0.6 2,-0.3 -0.711 28.5-142.2 -81.1 117.7 17.2 55.1 61.6 15 20 A P E -B 9 0A 0 0, 0.0 186,-2.0 0, 0.0 2,-0.5 -0.631 13.1-162.0 -87.8 146.0 17.4 52.6 64.6 16 21 A H E -Bc 8 201A 2 -8,-2.9 -8,-2.3 -2,-0.3 2,-0.5 -0.966 16.3-161.2-124.0 106.0 18.7 53.5 68.0 17 22 A I E -Bc 7 202A 0 184,-3.1 186,-2.3 -2,-0.5 2,-0.4 -0.811 8.9-173.7-100.1 126.5 19.5 50.3 69.9 18 23 A R E +Bc 6 203A 61 -12,-3.0 -12,-2.6 -2,-0.5 2,-0.3 -0.979 15.9 152.6-117.2 132.3 19.9 50.2 73.7 19 24 A A - 0 0 10 184,-2.1 -14,-0.1 -2,-0.4 3,-0.1 -0.964 48.5-125.7-152.4 164.2 21.1 47.1 75.6 20 25 A K S S+ 0 0 160 -16,-0.3 2,-0.3 -2,-0.3 184,-0.1 0.570 91.6 8.7 -88.3 -11.5 22.9 46.2 78.9 21 26 A D S > S- 0 0 34 -17,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.938 85.1 -88.9-158.4 175.2 25.6 44.1 77.1 22 27 A E H > S+ 0 0 16 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.849 120.0 54.1 -64.7 -39.4 27.1 43.1 73.8 23 28 A R H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 113.3 43.2 -59.3 -48.4 24.8 40.1 73.2 24 29 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.877 113.1 52.5 -64.9 -38.8 21.7 42.4 73.7 25 30 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.956 111.0 46.0 -63.4 -48.6 23.2 45.1 71.5 26 31 A G H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.872 107.4 59.5 -61.1 -37.0 23.9 42.7 68.7 27 32 A Y H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.944 109.0 43.2 -54.9 -48.8 20.4 41.3 69.0 28 33 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.911 114.4 50.4 -65.4 -43.1 18.9 44.8 68.4 29 34 A I H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.941 112.0 45.8 -60.3 -50.7 21.3 45.5 65.5 30 35 A G H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.898 114.7 48.5 -63.0 -40.4 20.6 42.2 63.7 31 36 A Y H X S+ 0 0 24 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.947 114.5 43.8 -64.0 -50.8 16.9 42.6 64.1 32 37 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.916 114.5 50.5 -60.7 -44.8 16.8 46.2 62.9 33 38 A Y H X S+ 0 0 6 -4,-2.9 4,-3.0 -5,-0.3 3,-0.3 0.909 108.7 51.8 -60.2 -43.6 19.1 45.4 60.0 34 39 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.887 102.3 59.6 -62.6 -40.6 17.0 42.4 58.9 35 40 A R H < S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.890 120.8 27.1 -52.8 -40.8 13.9 44.5 58.9 36 41 A D H < S+ 0 0 1 -4,-1.3 634,-0.8 -3,-0.3 633,-0.5 0.760 139.4 16.7 -89.2 -31.3 15.5 46.8 56.3 37 42 A N H X + 0 0 2 -4,-3.0 4,-2.5 -5,-0.2 5,-0.3 0.046 69.2 130.1-144.8 28.1 18.0 44.5 54.5 38 43 A A H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.910 82.3 48.7 -53.6 -45.9 17.3 40.8 55.1 39 44 A a H > S+ 0 0 17 1,-0.2 4,-2.4 -5,-0.2 -1,-0.2 0.900 110.4 51.0 -64.9 -42.1 17.5 40.0 51.4 40 45 A L H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 112.7 45.0 -57.7 -51.1 20.7 41.9 50.9 41 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.918 111.9 52.6 -64.8 -40.1 22.4 40.1 53.8 42 47 A A H X S+ 0 0 5 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.925 111.3 47.0 -59.1 -46.0 21.1 36.7 52.7 43 48 A E H X S+ 0 0 51 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.912 112.9 47.7 -60.2 -46.4 22.5 37.3 49.2 44 49 A E H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.802 110.0 53.0 -71.4 -30.2 25.9 38.5 50.4 45 50 A I H X S+ 0 0 9 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.884 105.6 54.0 -67.3 -40.3 26.2 35.6 52.8 46 51 A V H <>S+ 0 0 5 -4,-2.1 5,-2.5 -5,-0.2 4,-0.4 0.953 111.0 47.4 -56.5 -45.1 25.5 33.2 49.9 47 52 A T H ><5S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.944 111.8 48.2 -58.8 -48.8 28.4 34.9 48.1 48 53 A A H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.701 110.3 52.5 -72.1 -19.3 30.8 34.7 51.1 49 54 A R T 3<5S- 0 0 86 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.448 113.1-120.4 -86.3 -6.6 29.9 31.0 51.6 50 55 A G T < 5S+ 0 0 5 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.894 77.2 123.6 63.2 42.6 30.8 30.3 47.9 51 56 A E >< + 0 0 40 -5,-2.5 4,-1.6 -6,-0.2 5,-0.2 0.165 27.1 108.4-117.9 16.1 27.3 29.1 47.2 52 57 A R H > S+ 0 0 15 -6,-0.4 4,-3.1 16,-0.3 5,-0.5 0.936 81.9 47.9 -58.4 -48.3 26.2 31.4 44.3 53 58 A A H > S+ 0 0 0 15,-0.4 222,-2.4 1,-0.2 4,-1.7 0.853 107.7 58.4 -63.2 -30.3 26.4 28.6 41.6 54 59 A R H 4 S+ 0 0 100 220,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.894 120.2 25.3 -68.0 -40.4 24.4 26.3 43.9 55 60 A Y H < S+ 0 0 38 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.799 138.7 23.7 -90.2 -32.6 21.4 28.6 44.1 56 61 A F H < S- 0 0 64 -4,-3.1 3,-0.2 -5,-0.2 4,-0.2 0.481 97.6-125.5-121.3 -7.9 21.7 30.6 40.9 57 62 A G >< - 0 0 9 -4,-1.7 3,-0.5 -5,-0.5 -1,-0.2 -0.146 40.4 -65.6 82.7 178.3 23.8 28.6 38.4 58 63 A S T 3 S+ 0 0 69 217,-0.5 11,-0.4 1,-0.2 10,-0.3 0.630 120.4 68.4 -81.9 -17.2 26.9 29.5 36.4 59 64 A E T 3 S+ 0 0 192 -3,-0.2 -1,-0.2 8,-0.1 -2,-0.1 0.678 86.8 83.8 -77.7 -17.7 25.4 32.3 34.3 60 65 A G < - 0 0 25 -3,-0.5 8,-2.4 -4,-0.2 2,-0.3 -0.221 64.1-142.9 -83.7 170.9 24.9 34.7 37.2 61 66 A K B -J 67 0B 102 6,-0.3 6,-0.2 7,-0.1 2,-0.1 -0.888 16.3-114.2-126.3 162.0 27.2 37.2 38.9 62 67 A S > - 0 0 6 4,-2.6 3,-1.7 -2,-0.3 -18,-0.1 -0.298 42.7 -98.2 -79.9 174.1 27.7 38.4 42.5 63 68 A S T 3 S+ 0 0 53 1,-0.3 129,-0.1 2,-0.1 -1,-0.1 0.599 127.9 63.0 -72.3 -12.5 27.0 42.1 43.5 64 69 A A T 3 S- 0 0 54 2,-0.1 -1,-0.3 129,-0.0 3,-0.1 0.343 120.7-114.4 -85.6 3.2 30.7 42.6 43.0 65 70 A E S < S+ 0 0 135 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.682 70.3 140.7 68.6 21.9 30.1 41.7 39.3 66 71 A L - 0 0 28 1,-0.1 -4,-2.6 2,-0.0 -1,-0.3 -0.747 62.0-101.0 -88.1 141.9 32.2 38.5 39.6 67 72 A D B > -J 61 0B 79 -2,-0.3 4,-2.6 -6,-0.2 -6,-0.3 -0.326 35.1-117.2 -56.8 144.6 30.9 35.3 37.7 68 73 A N H > S+ 0 0 1 -8,-2.4 4,-2.6 -10,-0.3 -15,-0.4 0.874 107.9 46.0 -56.9 -48.0 29.3 32.9 40.2 69 74 A L H > S+ 0 0 37 -11,-0.4 4,-2.7 -9,-0.2 5,-0.2 0.971 115.5 44.0 -66.6 -50.9 31.6 30.0 39.8 70 75 A P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.922 115.0 51.3 -57.4 -43.0 34.9 31.9 40.1 71 76 A S H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.942 110.5 49.1 -56.0 -47.2 33.4 33.9 43.0 72 77 A D H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.910 110.1 50.1 -60.3 -44.7 32.5 30.7 44.7 73 78 A I H X S+ 0 0 7 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.935 111.9 48.9 -59.2 -44.0 35.9 29.1 44.2 74 79 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.926 114.9 42.8 -63.0 -48.4 37.5 32.3 45.7 75 80 A Y H X S+ 0 0 15 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.845 111.2 53.9 -71.6 -32.1 35.3 32.4 48.7 76 81 A A H < S+ 0 0 23 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.894 113.6 44.7 -63.9 -39.2 35.5 28.6 49.4 77 82 A W H >< S+ 0 0 19 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.932 118.2 43.1 -66.2 -48.2 39.2 29.1 49.4 78 83 A L H 3< S+ 0 0 4 -4,-2.8 -2,-0.2 1,-0.2 2,-0.2 0.923 117.9 43.5 -63.6 -47.4 39.1 32.2 51.5 79 84 A N T 3< S+ 0 0 10 -4,-3.1 -1,-0.2 -31,-0.2 -2,-0.1 -0.201 76.4 156.5-103.1 43.8 36.6 31.0 54.0 80 85 A Q X> - 0 0 38 -3,-0.8 4,-2.1 -2,-0.2 3,-0.6 -0.283 56.8-107.4 -60.3 151.1 37.8 27.4 54.7 81 86 A P H 3> S+ 0 0 77 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.854 118.9 52.8 -51.3 -42.2 36.7 25.9 58.0 82 87 A E H 3> S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.874 108.8 49.8 -65.4 -37.4 40.2 26.2 59.5 83 88 A A H <> S+ 0 0 29 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.910 112.7 46.5 -67.5 -43.8 40.5 29.9 58.7 84 89 A L H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.912 112.7 50.2 -64.1 -44.5 37.0 30.7 60.2 85 90 A Q H X S+ 0 0 122 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.918 111.5 47.4 -58.8 -48.2 37.8 28.7 63.3 86 91 A A H X S+ 0 0 63 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.910 112.5 50.7 -63.1 -41.8 41.2 30.4 63.8 87 92 A F H < S+ 0 0 4 -4,-2.2 3,-0.4 1,-0.2 4,-0.3 0.938 111.7 47.3 -61.3 -47.3 39.5 33.8 63.3 88 93 A W H >< S+ 0 0 43 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.914 108.6 54.2 -58.7 -46.8 36.8 33.0 65.9 89 94 A Q H 3< S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.783 105.2 54.5 -63.0 -26.8 39.3 31.8 68.4 90 95 A A T 3< S+ 0 0 52 -4,-1.4 -1,-0.3 -3,-0.4 2,-0.2 0.453 87.9 106.5 -84.7 -1.7 41.2 35.1 68.2 91 96 A Q S < S- 0 0 8 -3,-1.9 231,-0.1 -4,-0.3 -3,-0.0 -0.546 73.1-118.2 -81.2 143.3 38.1 37.2 68.9 92 97 A T > - 0 0 48 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.368 29.2-109.7 -68.5 156.1 37.6 38.9 72.3 93 98 A P H > S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.903 119.4 56.2 -52.8 -41.0 34.6 37.8 74.4 94 99 A A H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.909 109.5 44.0 -60.3 -43.7 32.9 41.2 73.7 95 100 A V H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 111.3 53.0 -69.1 -42.4 33.2 40.7 69.9 96 101 A R H X S+ 0 0 57 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.900 110.3 50.0 -56.6 -41.2 32.0 37.1 70.0 97 102 A Q H X S+ 0 0 63 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.897 107.8 51.7 -65.6 -42.5 28.9 38.3 72.0 98 103 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.919 113.9 45.3 -57.0 -43.3 28.1 41.1 69.5 99 104 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.903 111.3 51.0 -71.0 -41.9 28.2 38.5 66.7 100 105 A E H X S+ 0 0 64 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.920 113.5 46.8 -59.9 -43.2 26.2 35.9 68.7 101 106 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.922 109.9 52.6 -63.1 -47.7 23.6 38.6 69.3 102 107 A Y H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.942 110.2 47.4 -55.7 -52.4 23.5 39.8 65.7 103 108 A A H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 26,-0.3 0.935 113.6 48.3 -55.3 -48.2 22.9 36.3 64.3 104 109 A A H X S+ 0 0 16 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.861 113.1 47.3 -60.7 -39.5 20.1 35.7 66.9 105 110 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.907 111.8 49.2 -71.6 -41.3 18.4 39.1 66.1 106 111 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.933 112.7 49.3 -58.7 -46.9 18.6 38.6 62.4 107 112 A N H X S+ 0 0 28 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.837 105.2 57.5 -64.0 -34.2 17.1 35.1 62.8 108 113 A R H X S+ 0 0 44 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.946 107.1 48.1 -61.5 -49.4 14.3 36.5 65.0 109 114 A F H >X S+ 0 0 17 -4,-2.0 4,-1.3 1,-0.2 3,-0.5 0.927 109.4 53.5 -55.7 -46.2 13.2 38.8 62.2 110 115 A L H 3< S+ 0 0 32 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.888 104.8 54.9 -57.0 -41.0 13.3 35.9 59.7 111 116 A R H 3< S+ 0 0 150 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.821 117.8 35.0 -60.6 -31.8 11.0 33.8 61.9 112 117 A E H << S+ 0 0 105 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.484 87.4 124.0-105.5 -2.0 8.4 36.5 62.0 113 118 A A < + 0 0 20 -4,-1.3 -3,-0.0 -3,-0.4 -78,-0.0 -0.347 26.8 171.9 -63.8 132.3 8.8 37.9 58.5 114 119 A D - 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0 0 14 19,-0.2 3,-0.4 21,-0.2 -1,-0.2 -0.034 47.6 -94.5 -67.2 177.0 48.7 59.8 49.8 437 272 B A S > S+ 0 0 0 16,-0.2 3,-1.9 1,-0.2 4,-0.3 0.728 99.2 99.4 -61.0 -22.5 49.4 61.3 53.2 438 273 B W T 3 S+ 0 0 14 17,-0.3 8,-2.1 1,-0.3 3,-0.3 0.773 90.2 23.7 -39.4 -60.6 51.7 63.9 51.5 439 274 B L T 3 S+ 0 0 9 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.037 73.0 131.5-109.6 32.6 49.5 67.0 51.3 440 275 B T S < S+ 0 0 1 -3,-1.9 -9,-1.3 1,-0.3 -1,-0.2 0.893 100.0 0.9 -44.7 -47.7 47.0 66.3 54.1 441 276 B N S > S- 0 0 1 -3,-0.3 3,-2.8 3,-0.3 -1,-0.3 -0.833 75.0-151.5-141.7 111.7 47.8 69.9 55.1 442 277 B P T 3 S+ 0 0 26 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.676 93.7 69.2 -55.0 -22.2 50.3 71.6 52.7 443 278 B A T 3 S+ 0 0 71 1,-0.3 -4,-0.0 -4,-0.1 -3,-0.0 0.706 116.2 25.6 -68.8 -17.5 51.5 73.8 55.6 444 279 B S S < S- 0 0 42 -3,-2.8 -3,-0.3 -6,-0.1 -1,-0.3 -0.591 87.0-160.4-143.9 75.6 53.0 70.6 57.0 445 280 B P - 0 0 53 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.235 15.5-130.8 -62.5 149.1 53.8 68.1 54.3 446 281 B L + 0 0 20 -8,-2.1 2,-0.3 -9,-0.2 3,-0.1 -0.912 44.2 154.5-102.5 115.9 54.2 64.4 55.3 447 282 B Q + 0 0 112 -2,-0.6 8,-0.1 1,-0.1 0, 0.0 -0.860 32.3 55.8-136.8 165.0 57.4 63.0 53.7 448 283 B G + 0 0 82 1,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.604 69.2 136.8 89.5 15.0 60.1 60.4 54.1 449 284 B F - 0 0 55 5,-0.3 -1,-0.3 1,-0.1 -28,-0.1 -0.497 61.9 -86.2 -92.7 162.2 57.9 57.3 54.2 450 285 B S >> - 0 0 33 -30,-0.3 4,-2.4 -2,-0.2 3,-2.2 -0.303 35.4-118.4 -57.4 145.6 58.3 53.9 52.5 451 286 B P T 34 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.744 118.2 60.6 -57.4 -22.8 57.0 53.7 49.0 452 287 B L T 34 S+ 0 0 16 -78,-0.1 -213,-2.5 2,-0.1 3,-0.1 0.590 115.4 34.0 -75.2 -12.0 54.7 51.0 50.4 453 288 B V T <4 S- 0 0 2 -3,-2.2 2,-0.3 1,-0.3 -216,-0.2 0.836 127.8 -14.0-110.1 -60.5 53.2 53.6 52.7 454 289 B S < - 0 0 9 -4,-2.4 2,-0.3 -18,-0.1 -5,-0.3 -0.962 53.9-170.1-156.8 131.5 53.1 57.0 51.2 455 290 B Q - 0 0 106 -2,-0.3 2,-2.0 -4,-0.1 -17,-0.3 -0.908 35.4-112.4-123.5 154.9 54.6 58.7 48.1 456 291 B E + 0 0 95 -2,-0.3 3,-0.0 -18,-0.1 -9,-0.0 -0.493 58.4 156.3 -83.1 70.8 54.8 62.3 46.9 457 292 B K - 0 0 148 -2,-2.0 -21,-0.2 1,-0.1 -2,-0.0 -0.691 53.8 -87.1 -96.6 148.6 52.5 61.7 43.9 458 293 B P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.292 51.9-115.0 -53.8 135.0 50.4 64.6 42.2 459 294 B I - 0 0 27 102,-0.4 -25,-0.1 1,-0.1 -3,-0.0 -0.419 26.3-111.6 -74.0 151.1 47.1 65.0 44.0 460 295 B G > - 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0 0 80 0, 0.0 2,-0.6 0, 0.0 -299,-0.2 -0.349 29.9-136.7 -60.5 142.7 36.6 80.9 59.1 476 311 B L B -p 176 0D 4 -301,-3.1 -299,-1.5 -3,-0.1 2,-0.2 -0.943 25.2-174.9-103.8 117.3 35.3 77.5 58.2 477 312 B E > - 0 0 100 -2,-0.6 4,-1.6 -301,-0.2 3,-0.3 -0.675 41.3-109.9-102.6 163.1 31.6 77.1 59.0 478 313 B A H > S+ 0 0 33 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.902 122.8 58.1 -56.3 -39.9 29.5 73.9 58.8 479 314 B K H > S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.870 100.8 55.9 -56.1 -41.4 27.8 75.7 55.9 480 315 B T H > S+ 0 0 29 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.931 111.8 41.4 -57.3 -49.5 31.2 76.0 54.1 481 316 B L H X S+ 0 0 0 -4,-1.6 4,-1.0 2,-0.2 3,-0.3 0.902 113.6 52.2 -69.6 -41.6 31.8 72.2 54.3 482 317 B E H >X S+ 0 0 30 -4,-2.7 4,-2.4 1,-0.2 3,-1.0 0.940 109.6 49.8 -57.4 -47.0 28.3 71.3 53.3 483 318 B E H 3X S+ 0 0 89 -4,-2.5 4,-1.7 1,-0.3 -1,-0.2 0.717 97.5 67.3 -71.3 -19.2 28.4 73.5 50.3 484 319 B M H 3< S+ 0 0 3 -4,-1.0 5,-0.3 -3,-0.3 143,-0.3 0.846 112.0 36.2 -66.0 -31.7 31.7 72.1 49.1 485 320 B V H X< S+ 0 0 1 -3,-1.0 3,-1.4 -4,-1.0 142,-0.5 0.938 119.9 45.5 -78.0 -54.9 29.6 68.9 48.6 486 321 B T H 3< S+ 0 0 21 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.583 95.9 74.4 -75.8 -10.4 26.3 70.4 47.3 487 322 B A T 3< S- 0 0 47 -4,-1.7 -1,-0.3 -5,-0.2 40,-0.2 0.763 81.5-154.5 -65.0 -25.9 27.9 72.9 44.9 488 323 B N < - 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