==== 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 2WYD . 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) . 28558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 67.6 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 . 44 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 2 1 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 0 129 0, 0.0 3,-0.1 0, 0.0 709,-0.0 0.000 360.0 360.0 360.0 175.7 19.6 33.6 75.8 2 7 A G + 0 0 51 709,-0.5 2,-0.5 1,-0.3 22,-0.2 0.771 360.0 139.8 72.3 27.9 20.4 36.6 78.0 3 8 A L + 0 0 4 708,-1.3 708,-1.8 20,-0.1 2,-0.3 -0.922 15.9 144.5-110.3 123.5 19.5 38.6 74.9 4 9 A A E +A 710 0A 34 -2,-0.5 2,-0.3 706,-0.2 16,-0.3 -0.961 14.9 173.9-159.9 137.2 17.5 41.8 75.4 5 10 A A E -A 709 0A 9 704,-2.4 704,-2.7 -2,-0.3 2,-0.5 -0.995 23.8-143.3-145.0 148.4 17.5 45.2 73.6 6 11 A D E -AB 708 18A 16 12,-3.0 12,-3.2 -2,-0.3 2,-0.5 -0.972 25.1-167.9-108.6 126.2 15.5 48.4 73.7 7 12 A I E -AB 707 17A 0 700,-2.9 700,-2.8 -2,-0.5 2,-0.4 -0.962 10.5-176.6-120.0 126.5 15.1 49.9 70.2 8 13 A R E -AB 706 16A 16 8,-2.6 8,-3.0 -2,-0.5 2,-0.5 -0.964 11.0-156.7-113.9 137.4 13.9 53.4 69.4 9 14 A W E -AB 705 15A 13 696,-2.8 696,-2.1 -2,-0.4 2,-0.1 -0.960 8.6-169.5-111.8 130.5 13.5 54.5 65.8 10 15 A T E >> - B 0 14A 4 4,-2.2 3,-1.5 -2,-0.5 4,-0.6 -0.360 49.7 -39.5 -99.5-171.1 13.5 58.2 64.9 11 16 A A G >4 S+ 0 0 22 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 -0.126 128.9 22.6 -49.6 143.3 12.6 59.8 61.5 12 17 A Y G 34 S- 0 0 58 1,-0.2 655,-0.4 -3,-0.1 -1,-0.2 0.510 128.0 -76.9 75.8 8.9 13.8 57.9 58.4 13 18 A G G <4 S+ 0 0 1 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 74.7 164.6 72.2 33.3 14.0 54.6 60.3 14 19 A V E << -B 10 0A 5 -3,-0.8 -4,-2.2 -4,-0.6 2,-0.3 -0.729 29.8-138.7 -79.5 119.1 17.2 55.3 62.2 15 20 A P E -B 9 0A 0 0, 0.0 186,-2.2 0, 0.0 2,-0.5 -0.616 14.4-163.4 -84.8 143.5 17.5 52.8 65.1 16 21 A H E -Bc 8 201A 2 -8,-3.0 -8,-2.6 -2,-0.3 2,-0.5 -0.974 16.8-162.4-122.6 107.0 18.8 53.8 68.6 17 22 A I E -Bc 7 202A 0 184,-3.1 186,-2.3 -2,-0.5 2,-0.4 -0.832 9.3-174.5-101.9 126.3 19.7 50.6 70.4 18 23 A R E +Bc 6 203A 58 -12,-3.2 -12,-3.0 -2,-0.5 2,-0.3 -0.953 15.8 150.2-115.8 140.0 20.0 50.4 74.1 19 24 A A - 0 0 12 184,-1.8 -14,-0.1 -2,-0.4 3,-0.1 -0.974 49.3-122.5-158.7 165.7 21.2 47.3 76.0 20 25 A K S S+ 0 0 169 -16,-0.3 2,-0.3 -2,-0.3 184,-0.1 0.571 92.0 10.2 -88.8 -11.0 23.1 46.4 79.2 21 26 A D S > S- 0 0 33 -17,-0.2 4,-2.2 1,-0.0 5,-0.1 -0.934 85.4 -90.1-157.7 173.4 25.8 44.4 77.4 22 27 A E H > S+ 0 0 14 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.841 119.9 55.2 -62.8 -39.0 27.4 43.6 74.0 23 28 A R H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 113.2 42.3 -59.3 -51.1 25.1 40.5 73.5 24 29 A G H > S+ 0 0 0 2,-0.2 4,-2.1 -22,-0.2 -2,-0.2 0.875 113.3 53.1 -61.3 -40.0 22.0 42.6 74.0 25 30 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.947 111.0 45.4 -63.9 -48.3 23.5 45.5 71.9 26 31 A G H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.877 107.7 60.0 -60.0 -40.4 24.2 43.1 68.9 27 32 A Y H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.934 108.2 43.8 -51.7 -51.0 20.7 41.6 69.4 28 33 A G H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.893 114.4 49.9 -62.5 -43.0 19.2 45.1 68.7 29 34 A I H X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.945 111.7 47.0 -60.6 -51.3 21.5 45.8 65.8 30 35 A G H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.918 115.4 46.6 -61.0 -44.2 20.8 42.5 64.0 31 36 A Y H X S+ 0 0 23 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.938 115.0 44.2 -61.3 -51.4 17.1 42.9 64.5 32 37 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.930 115.0 49.3 -62.2 -44.1 16.9 46.5 63.3 33 38 A Y H X S+ 0 0 6 -4,-2.9 4,-3.0 -5,-0.2 3,-0.4 0.920 109.5 51.8 -61.0 -44.3 19.2 45.9 60.4 34 39 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.876 102.0 60.4 -59.1 -40.6 17.2 42.8 59.3 35 40 A R H < S+ 0 0 51 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.886 120.8 25.9 -54.0 -39.2 13.9 44.9 59.3 36 41 A D H < S+ 0 0 1 -4,-1.2 634,-0.8 -3,-0.4 633,-0.6 0.745 139.9 17.8 -92.6 -31.3 15.5 47.2 56.7 37 42 A N H X + 0 0 2 -4,-3.0 4,-2.4 -5,-0.2 5,-0.2 0.059 68.8 129.9-143.4 26.0 18.0 44.9 54.9 38 43 A A H X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.898 82.9 48.2 -52.5 -48.3 17.4 41.2 55.5 39 44 A a H > S+ 0 0 17 -5,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 110.1 51.7 -62.1 -43.4 17.6 40.4 51.7 40 45 A L H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.951 113.0 44.7 -57.4 -51.9 20.8 42.4 51.2 41 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.904 111.4 53.2 -63.6 -40.7 22.5 40.6 54.0 42 47 A A H X S+ 0 0 4 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.917 111.0 46.8 -57.8 -46.3 21.3 37.2 52.9 43 48 A E H X S+ 0 0 53 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.906 112.9 48.2 -62.4 -44.2 22.6 37.8 49.4 44 49 A E H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.809 110.0 52.3 -71.4 -28.7 26.0 39.1 50.6 45 50 A I H X S+ 0 0 9 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.911 106.5 53.3 -70.6 -42.5 26.4 36.1 53.0 46 51 A V H <>S+ 0 0 5 -4,-2.2 5,-2.5 -5,-0.2 6,-0.3 0.937 111.9 47.0 -53.0 -47.9 25.7 33.8 50.0 47 52 A T H ><5S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.951 112.7 47.2 -56.8 -52.0 28.5 35.6 48.2 48 53 A A H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.692 110.0 53.6 -69.4 -22.0 30.9 35.4 51.2 49 54 A R T 3<5S- 0 0 85 -4,-2.1 -1,-0.3 -3,-0.1 -2,-0.2 0.429 113.3-119.4 -83.7 -6.2 30.1 31.7 51.7 50 55 A G T < 5S+ 0 0 5 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.879 78.8 122.2 64.1 42.9 31.0 31.0 48.0 51 56 A E >< + 0 0 38 -5,-2.5 4,-1.7 -6,-0.2 5,-0.2 0.165 27.3 107.6-118.4 14.8 27.5 29.8 47.2 52 57 A R H > S+ 0 0 14 -6,-0.3 4,-3.0 16,-0.3 5,-0.5 0.927 82.9 47.8 -60.5 -47.6 26.4 32.1 44.4 53 58 A A H > S+ 0 0 0 15,-0.4 222,-2.7 3,-0.2 4,-1.5 0.829 108.1 57.4 -63.7 -31.0 26.6 29.4 41.7 54 59 A R H 4 S+ 0 0 96 220,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.894 120.3 26.6 -66.0 -42.7 24.7 27.0 43.9 55 60 A Y H < S+ 0 0 37 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.784 138.7 22.4 -88.1 -31.1 21.7 29.3 44.2 56 61 A F H < S- 0 0 65 -4,-3.0 4,-0.3 -5,-0.2 3,-0.2 0.465 98.1-124.6-125.5 -8.2 21.9 31.3 41.0 57 62 A G >< - 0 0 8 -4,-1.5 3,-0.5 -5,-0.5 -1,-0.2 -0.128 40.1 -65.1 85.2 177.8 24.0 29.4 38.5 58 63 A S T 3 S+ 0 0 69 217,-0.5 11,-0.4 1,-0.2 10,-0.3 0.648 119.3 68.5 -81.6 -16.3 27.1 30.3 36.5 59 64 A E T 3 S+ 0 0 192 -3,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.699 86.7 78.8 -79.2 -18.5 25.5 33.1 34.4 60 65 A G < - 0 0 27 -3,-0.5 8,-2.3 -4,-0.3 2,-0.3 -0.184 65.4-139.9 -84.8 177.9 25.0 35.7 37.2 61 66 A K B -J 67 0B 104 6,-0.3 6,-0.2 7,-0.1 2,-0.1 -0.896 16.8-112.1-130.9 163.2 27.3 38.0 39.1 62 67 A S > - 0 0 5 4,-2.7 3,-1.8 -2,-0.3 -18,-0.1 -0.319 43.2 -97.4 -79.9 174.6 27.8 39.2 42.6 63 68 A S T 3 S+ 0 0 53 1,-0.3 129,-0.1 2,-0.1 -1,-0.1 0.660 128.2 61.5 -71.6 -14.0 27.0 42.8 43.7 64 69 A A T 3 S- 0 0 54 2,-0.1 -1,-0.3 129,-0.0 129,-0.0 0.368 120.9-114.6 -84.0 3.6 30.8 43.4 43.3 65 70 A E < + 0 0 131 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.729 69.7 140.3 66.6 25.7 30.1 42.5 39.6 66 71 A L - 0 0 27 1,-0.1 -4,-2.7 2,-0.0 -1,-0.3 -0.796 62.7 -98.8 -89.4 144.7 32.3 39.3 39.7 67 72 A D B > -J 61 0B 76 -2,-0.4 4,-2.6 -6,-0.2 -6,-0.3 -0.315 35.9-117.3 -54.3 142.6 31.0 36.2 37.9 68 73 A N H > S+ 0 0 1 -8,-2.3 4,-2.5 -10,-0.3 -15,-0.4 0.868 108.4 46.5 -54.8 -47.3 29.4 33.8 40.3 69 74 A L H > S+ 0 0 39 -11,-0.4 4,-2.4 -9,-0.2 5,-0.2 0.962 115.2 43.4 -68.7 -50.2 31.8 30.9 39.9 70 75 A P H > S+ 0 0 28 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.914 115.0 52.0 -59.0 -40.0 35.1 32.8 40.1 71 76 A S H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.943 110.4 48.4 -57.6 -47.8 33.6 34.8 43.1 72 77 A D H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.888 110.1 50.7 -59.8 -44.3 32.7 31.5 44.8 73 78 A I H X S+ 0 0 6 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.943 112.0 48.6 -59.7 -47.2 36.1 30.0 44.2 74 79 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.919 115.4 42.0 -58.3 -49.7 37.7 33.1 45.7 75 80 A Y H X S+ 0 0 8 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.841 111.5 54.7 -73.5 -31.0 35.4 33.2 48.8 76 81 A A H < S+ 0 0 23 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.882 114.3 43.2 -62.7 -37.9 35.7 29.4 49.4 77 82 A W H >< S+ 0 0 19 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.918 118.7 43.6 -71.0 -45.2 39.5 29.9 49.4 78 83 A L H 3< S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.937 117.8 43.5 -65.5 -47.4 39.3 33.1 51.6 79 84 A N T 3< S+ 0 0 9 -4,-3.1 -1,-0.2 -31,-0.2 -2,-0.1 -0.187 76.2 156.8-102.0 41.1 36.8 31.7 54.1 80 85 A Q <> - 0 0 37 -3,-0.8 4,-2.3 -2,-0.2 3,-0.4 -0.293 56.1-110.0 -58.0 149.5 38.1 28.2 54.7 81 86 A P H > S+ 0 0 77 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.859 118.5 53.1 -55.5 -40.4 37.0 26.7 58.0 82 87 A E H > S+ 0 0 116 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.895 109.2 49.0 -62.9 -40.7 40.5 26.9 59.5 83 88 A A H > S+ 0 0 29 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.916 113.2 47.0 -63.8 -43.3 40.7 30.6 58.6 84 89 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.908 111.9 50.8 -64.8 -42.2 37.3 31.3 60.2 85 90 A Q H X S+ 0 0 117 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.923 111.5 46.3 -62.5 -46.9 38.2 29.3 63.3 86 91 A A H X S+ 0 0 62 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.895 112.3 51.8 -63.3 -39.8 41.6 31.2 63.9 87 92 A F H < S+ 0 0 4 -4,-2.1 3,-0.4 -5,-0.2 4,-0.3 0.954 112.1 45.9 -61.9 -49.0 39.8 34.5 63.3 88 93 A W H >< S+ 0 0 47 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.901 108.7 55.4 -57.4 -45.9 37.2 33.6 65.9 89 94 A Q H 3< S+ 0 0 133 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.807 105.1 54.3 -60.1 -30.4 39.8 32.4 68.4 90 95 A A T 3< S+ 0 0 48 -4,-1.5 -1,-0.3 -3,-0.4 2,-0.2 0.473 87.6 106.0 -80.8 -5.4 41.5 35.7 68.2 91 96 A Q S < S- 0 0 8 -3,-1.8 231,-0.1 -4,-0.3 -3,-0.0 -0.563 71.9-120.6 -83.6 140.1 38.3 37.7 69.0 92 97 A T > - 0 0 39 -2,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.315 29.7-107.7 -67.6 158.7 37.9 39.4 72.4 93 98 A P H > S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.910 120.1 56.1 -56.8 -39.6 34.9 38.3 74.5 94 99 A A H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.898 109.7 44.1 -57.8 -43.1 33.2 41.7 73.8 95 100 A V H > S+ 0 0 1 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 111.9 52.3 -72.5 -42.1 33.4 41.2 70.0 96 101 A R H X S+ 0 0 64 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.892 111.1 48.9 -55.1 -43.3 32.3 37.6 70.2 97 102 A Q H X S+ 0 0 64 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.870 108.3 52.7 -67.0 -41.0 29.3 38.7 72.2 98 103 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.923 114.0 44.0 -56.3 -45.2 28.5 41.6 69.7 99 104 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.901 111.9 51.2 -72.6 -43.8 28.5 39.0 66.9 100 105 A E H X S+ 0 0 66 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.916 112.8 47.5 -56.7 -44.7 26.5 36.4 68.8 101 106 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.933 110.2 52.0 -62.2 -48.7 23.9 39.0 69.6 102 107 A Y H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.934 110.4 47.3 -53.8 -52.6 23.7 40.3 66.0 103 108 A A H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 26,-0.3 0.921 113.6 48.8 -57.3 -46.1 23.2 36.8 64.6 104 109 A A H X S+ 0 0 18 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.875 113.5 46.4 -60.3 -40.4 20.4 36.1 67.2 105 110 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.897 111.9 49.5 -72.0 -43.2 18.7 39.4 66.4 106 111 A F H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.937 113.3 48.3 -57.1 -48.0 18.8 39.0 62.7 107 112 A N H X S+ 0 0 26 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.827 105.9 57.4 -65.4 -33.8 17.4 35.5 63.1 108 113 A R H X S+ 0 0 43 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.938 107.0 48.3 -60.3 -48.6 14.6 36.7 65.4 109 114 A F H X S+ 0 0 17 -4,-2.0 4,-1.8 1,-0.2 3,-0.3 0.920 109.5 53.4 -57.7 -45.2 13.4 39.1 62.7 110 115 A L H < S+ 0 0 31 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 105.3 53.6 -56.3 -43.4 13.5 36.3 60.1 111 116 A R H < S+ 0 0 151 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.852 117.8 37.3 -57.2 -37.5 11.3 34.0 62.3 112 117 A E H < S+ 0 0 100 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.659 86.7 122.2 -90.3 -18.9 8.7 36.8 62.5 113 118 A A < + 0 0 21 -4,-1.8 -3,-0.0 -5,-0.2 -78,-0.0 -0.170 27.4 172.1 -57.8 130.7 9.0 38.3 59.0 114 119 A D - 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0 0 93 -3,-1.8 3,-1.6 1,-0.2 4,-0.9 -0.683 51.4-171.3 -88.7 105.9 33.0 76.1 12.9 511 346 B K T 34 S+ 0 0 202 -2,-0.9 4,-0.5 1,-0.3 -1,-0.2 0.729 86.0 64.6 -66.4 -21.7 29.5 74.6 12.8 512 347 B S T 34 S+ 0 0 68 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.670 110.5 38.6 -71.0 -16.3 30.9 71.4 14.4 513 348 B L T <> S+ 0 0 3 -3,-1.6 4,-2.9 -6,-0.2 5,-0.3 0.576 90.4 92.3-108.2 -14.4 31.7 73.4 17.5 514 349 B A H X S+ 0 0 56 -4,-0.9 4,-2.4 1,-0.2 5,-0.2 0.909 90.3 39.9 -50.8 -60.0 28.6 75.7 17.7 515 350 B R H > S+ 0 0 115 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.906 118.0 49.1 -58.6 -45.6 26.3 73.7 20.0 516 351 B A H > S+ 0 0 0 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.936 113.2 46.1 -58.5 -50.7 29.2 72.6 22.3 517 352 B c H X S+ 0 0 18 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.863 112.4 49.5 -65.0 -41.2 30.6 76.1 22.7 518 353 B A H X S+ 0 0 43 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.924 112.1 49.2 -61.0 -45.5 27.2 77.7 23.4 519 354 B A H X S+ 0 0 8 -4,-2.3 4,-0.8 -5,-0.2 15,-0.5 0.884 113.2 46.1 -62.1 -42.1 26.4 74.9 26.0 520 355 B L H < S+ 0 0 1 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.833 111.5 52.3 -69.3 -35.2 29.8 75.5 27.7 521 356 B A H < S+ 0 0 66 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 113.8 42.7 -68.5 -36.9 29.3 79.3 27.6 522 357 B Q H < S+ 0 0 161 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.610 90.7 115.5 -83.9 -13.2 25.9 79.1 29.3 523 358 B W < - 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