==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-FEB-04 1SGJ . COMPND 2 MOLECULE: CITRATE LYASE, BETA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR S.ESWARAMOORTHY,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX . 693 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 114 16.5 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 . 48 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 2 8 3 0 4 0 2 0 0 6 3 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 12 0 9 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 3 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 4 A P 0 0 83 0, 0.0 4,-0.1 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 161.1 15.7 29.8 -12.7 2 5 A P - 0 0 70 0, 0.0 65,-0.0 0, 0.0 26,-0.0 -0.356 360.0-126.0 -69.1 150.1 14.2 33.3 -13.4 3 6 A A S S+ 0 0 86 1,-0.1 2,-0.5 181,-0.0 182,-0.1 0.652 99.8 65.5 -68.5 -11.0 14.5 35.9 -10.6 4 7 A L + 0 0 79 141,-0.0 2,-0.5 181,-0.0 -1,-0.1 -0.940 57.3 173.9-122.7 118.7 10.7 36.1 -11.1 5 8 A L - 0 0 0 -2,-0.5 3,-0.1 1,-0.1 226,-0.1 -0.980 7.2-176.2-119.9 116.1 8.2 33.3 -10.4 6 9 A R S S+ 0 0 76 -2,-0.5 209,-1.7 1,-0.3 2,-0.3 0.763 76.7 24.1 -81.4 -28.3 4.6 34.4 -10.8 7 10 A S E -a 215 0A 0 207,-0.2 22,-1.5 220,-0.1 2,-0.4 -1.000 58.5-171.0-142.6 138.0 3.3 31.0 -9.7 8 11 A V E -ab 216 29A 0 207,-1.4 209,-3.3 -2,-0.3 2,-0.4 -0.930 15.8-162.6-132.5 105.4 4.8 28.2 -7.5 9 12 A L E -ab 217 30A 5 20,-2.3 22,-2.9 -2,-0.4 2,-0.2 -0.765 6.3-147.3 -95.2 131.6 2.8 24.9 -7.5 10 13 A F E + b 0 31A 36 207,-1.7 22,-0.2 -2,-0.4 -2,-0.0 -0.641 16.4 177.1 -99.4 152.8 3.2 22.2 -4.9 11 14 A A E - b 0 32A 6 20,-2.2 22,-2.8 -2,-0.2 2,-0.1 -0.984 40.9 -95.1-148.5 144.0 2.9 18.4 -5.0 12 15 A P E > - b 0 33A 34 0, 0.0 3,-1.8 0, 0.0 7,-0.2 -0.426 29.0-133.1 -63.9 132.2 3.5 15.8 -2.3 13 16 A G T 3 S+ 0 0 0 20,-3.0 42,-0.2 1,-0.3 21,-0.1 0.686 104.0 52.8 -59.2 -20.9 7.1 14.3 -2.5 14 17 A N T 3 S+ 0 0 59 19,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.102 89.5 85.6-104.0 23.2 5.8 10.8 -2.1 15 18 A R <> + 0 0 105 -3,-1.8 4,-2.4 1,-0.1 3,-0.5 -0.735 48.2 176.5-124.8 81.0 3.3 11.0 -5.0 16 19 A A H > S+ 0 0 55 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.831 82.6 55.2 -51.4 -35.9 5.1 10.2 -8.2 17 20 A D H > S+ 0 0 72 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.887 109.0 43.7 -67.7 -42.3 1.8 10.6 -10.0 18 21 A L H > S+ 0 0 55 -3,-0.5 4,-0.5 2,-0.2 3,-0.2 0.872 111.1 55.7 -72.3 -35.3 1.0 14.1 -8.8 19 22 A I H >< S+ 0 0 1 -4,-2.4 3,-0.9 -7,-0.2 -2,-0.2 0.893 106.4 50.8 -62.3 -40.2 4.5 15.2 -9.4 20 23 A A H 3< S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.772 107.4 53.3 -69.3 -26.5 4.3 14.1 -13.1 21 24 A K H >< S+ 0 0 104 -4,-1.0 3,-1.6 -3,-0.2 4,-0.3 0.539 82.5 98.5 -84.0 -7.9 1.0 16.0 -13.5 22 25 A L T << S+ 0 0 7 -3,-0.9 3,-0.5 -4,-0.5 -1,-0.2 0.786 76.4 53.4 -50.3 -38.0 2.7 19.2 -12.2 23 26 A P T > S+ 0 0 40 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 0.629 80.2 94.3 -78.3 -10.6 3.4 20.8 -15.6 24 27 A R T < S+ 0 0 195 -3,-1.6 -2,-0.1 1,-0.3 -3,-0.0 0.852 91.0 39.1 -48.7 -44.7 -0.2 20.6 -16.9 25 28 A S T 3 S- 0 0 38 -3,-0.5 -1,-0.3 -4,-0.3 -3,-0.1 0.394 108.2-124.6 -88.1 1.9 -1.1 24.1 -15.9 26 29 A A < - 0 0 65 -3,-1.9 -2,-0.1 1,-0.1 -4,-0.1 0.928 37.4-175.0 56.8 52.2 2.3 25.5 -16.9 27 30 A P - 0 0 6 0, 0.0 40,-0.2 0, 0.0 -1,-0.1 -0.388 34.6-120.6 -72.3 159.7 3.2 27.1 -13.6 28 31 A D S S+ 0 0 36 -21,-0.3 39,-1.2 1,-0.2 2,-0.3 0.849 93.1 2.6 -69.1 -31.9 6.5 29.1 -13.6 29 32 A A E -bc 8 67A 0 -22,-1.5 -20,-2.3 37,-0.1 2,-0.3 -0.975 66.1-152.5-149.6 159.9 7.9 26.8 -10.9 30 33 A V E -bc 9 68A 0 37,-2.1 39,-2.2 -2,-0.3 2,-0.4 -0.930 7.7-144.5-134.0 159.4 6.9 23.7 -8.9 31 34 A V E -bc 10 69A 0 -22,-2.9 -20,-2.2 -2,-0.3 2,-0.9 -0.955 3.1-155.6-132.4 114.5 7.7 22.3 -5.5 32 35 A I E -bc 11 70A 0 37,-2.6 39,-2.5 -2,-0.4 2,-0.5 -0.799 31.6-146.7 -87.4 107.9 8.1 18.6 -4.7 33 36 A D E +bc 12 71A 4 -22,-2.8 -20,-3.0 -2,-0.9 -19,-0.3 -0.706 37.4 167.1 -92.4 119.2 7.4 18.8 -1.0 34 37 A L S S+ 0 0 1 37,-2.7 38,-0.2 -2,-0.5 -1,-0.1 0.478 74.3 59.3 -99.3 -7.2 9.0 16.5 1.6 35 38 A E S > S+ 0 0 11 36,-0.3 3,-2.2 37,-0.2 38,-0.1 0.705 116.3 3.3 -87.5-110.2 7.8 18.6 4.5 36 39 A D T 3 S+ 0 0 92 1,-0.3 4,-0.1 4,-0.0 -2,-0.0 0.824 124.8 62.3 -46.7 -43.7 4.1 19.4 5.2 37 40 A A T 3 S+ 0 0 42 -26,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.691 102.4 58.2 -60.6 -19.7 2.9 17.2 2.4 38 41 A V S < S- 0 0 5 -3,-2.2 7,-0.1 1,-0.1 -1,-0.0 -0.941 96.5 -93.5-120.9 138.3 4.4 14.0 4.0 39 42 A P - 0 0 73 0, 0.0 2,-1.4 0, 0.0 6,-0.1 0.085 34.8-114.9 -41.4 146.0 3.7 12.5 7.5 40 43 A G S S+ 0 0 61 4,-0.1 2,-0.3 -4,-0.1 3,-0.1 -0.322 76.8 109.8 -85.2 54.5 6.0 13.4 10.4 41 44 A T S > S- 0 0 52 -2,-1.4 4,-2.5 1,-0.1 5,-0.3 -0.951 75.1-124.7-127.4 149.4 7.5 10.0 10.9 42 45 A A H > S+ 0 0 57 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.869 114.2 52.2 -57.3 -35.6 11.0 8.7 10.3 43 46 A E H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 109.9 44.4 -68.8 -46.2 9.4 6.0 8.1 44 47 A A H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.911 114.1 50.0 -66.8 -41.7 7.3 8.3 5.9 45 48 A K H X S+ 0 0 7 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.831 112.7 47.6 -66.4 -32.6 10.1 10.8 5.4 46 49 A A H >< S+ 0 0 49 -4,-1.5 3,-0.5 -5,-0.3 -2,-0.2 0.925 111.2 49.7 -74.3 -44.1 12.5 8.0 4.4 47 50 A A H 3X S+ 0 0 62 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.859 108.7 54.9 -61.7 -35.5 10.1 6.3 2.0 48 51 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.772 92.4 72.8 -71.0 -26.9 9.4 9.7 0.4 49 52 A R H S+ 0 0 72 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.857 115.4 54.1 -68.1 -31.7 13.6 7.9 -3.3 51 54 A V H X S+ 0 0 48 -4,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.935 113.3 40.3 -65.6 -47.8 10.1 8.6 -4.7 52 55 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.845 112.5 57.5 -70.8 -33.5 10.7 12.4 -5.0 53 56 A H H X S+ 0 0 55 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.957 113.5 37.5 -61.8 -50.4 14.3 11.9 -6.1 54 57 A D H X S+ 0 0 66 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.864 115.9 53.8 -69.1 -36.8 13.2 9.8 -9.1 55 58 A A H X S+ 0 0 8 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.882 107.8 50.7 -64.8 -38.9 10.1 12.0 -9.8 56 59 A A H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.904 111.4 48.3 -64.5 -42.5 12.2 15.1 -9.8 57 60 A R H X S+ 0 0 140 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.944 113.5 46.1 -63.4 -49.6 14.6 13.5 -12.4 58 61 A D H X S+ 0 0 102 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.912 113.3 50.5 -59.8 -44.4 11.7 12.3 -14.6 59 62 A L H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 3,-0.3 0.924 107.8 50.6 -61.0 -48.6 10.0 15.7 -14.4 60 63 A I H < S+ 0 0 36 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 112.1 49.2 -60.4 -33.1 13.1 17.8 -15.3 61 64 A A H < S+ 0 0 79 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.796 115.0 43.5 -76.9 -28.5 13.6 15.5 -18.3 62 65 A A H < S+ 0 0 83 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.811 126.8 29.3 -85.2 -33.2 10.0 15.8 -19.5 63 66 A A S >< S+ 0 0 20 -4,-2.8 3,-2.0 -5,-0.2 -1,-0.2 -0.668 70.2 174.6-128.6 74.2 9.6 19.6 -18.9 64 67 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.658 78.7 50.9 -54.0 -22.9 13.2 20.9 -19.5 65 68 A H T 3 S+ 0 0 191 2,-0.1 2,-0.4 0, 0.0 -5,-0.1 0.367 85.7 104.2-101.0 5.4 12.0 24.6 -19.1 66 69 A L S < S- 0 0 23 -3,-2.0 2,-0.8 -6,-0.2 -37,-0.1 -0.710 74.0-126.6 -88.0 134.2 10.1 24.1 -15.9 67 70 A A E -c 29 0A 7 -39,-1.2 -37,-2.1 -2,-0.4 2,-0.5 -0.725 32.2-161.8 -81.3 111.5 11.9 25.5 -12.7 68 71 A V E +c 30 0A 1 -2,-0.8 24,-2.5 22,-0.3 25,-0.9 -0.867 12.4 177.3-105.8 124.4 11.8 22.5 -10.4 69 72 A F E -cd 31 93A 0 -39,-2.2 -37,-2.6 -2,-0.5 2,-0.4 -0.795 18.6-148.6-117.6 160.2 12.3 22.8 -6.6 70 73 A V E -cd 32 94A 0 23,-1.0 25,-2.7 -2,-0.3 2,-0.6 -0.995 12.6-145.1-126.7 131.7 12.3 20.4 -3.8 71 74 A R E -cd 33 95A 17 -39,-2.5 -37,-2.7 -2,-0.4 -36,-0.3 -0.892 18.9-165.0-100.1 122.5 11.2 21.5 -0.3 72 75 A V - 0 0 0 23,-2.0 -37,-0.2 -2,-0.6 8,-0.1 -0.465 29.4 -87.6 -95.8 172.7 13.1 19.8 2.5 73 76 A N - 0 0 9 1,-0.2 -1,-0.2 -2,-0.2 -38,-0.1 -0.270 62.8 -67.3 -75.5 168.0 12.1 19.7 6.1 74 77 A A > - 0 0 22 1,-0.1 3,-2.4 22,-0.1 6,-0.6 -0.198 44.9-113.5 -58.3 146.7 13.1 22.4 8.6 75 78 A L T 3 S+ 0 0 19 22,-0.5 6,-0.2 1,-0.3 -1,-0.1 0.846 116.3 44.1 -46.1 -45.2 16.8 22.8 9.5 76 79 A H T 3 S+ 0 0 135 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.274 91.2 101.5 -90.3 10.9 16.2 21.7 13.0 77 80 A S S X S- 0 0 30 -3,-2.4 3,-0.6 1,-0.1 4,-0.3 -0.489 85.6-114.2 -86.3 163.9 13.9 18.8 12.3 78 81 A P T 3 S+ 0 0 102 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.380 111.7 59.0 -80.9 11.2 15.4 15.3 12.5 79 82 A Y T 3> S+ 0 0 38 -5,-0.3 4,-1.6 2,-0.1 -6,-0.1 0.647 74.9 87.1-110.9 -19.9 14.9 15.0 8.7 80 83 A F H X> S+ 0 0 4 -6,-0.6 4,-1.3 -3,-0.6 3,-0.6 0.910 87.4 53.5 -46.1 -58.1 16.8 17.9 7.2 81 84 A E H >4 S+ 0 0 105 -4,-0.3 3,-0.7 1,-0.3 4,-0.5 0.891 113.1 40.3 -44.1 -58.9 20.1 16.0 6.9 82 85 A D H >4 S+ 0 0 90 1,-0.2 3,-0.5 -4,-0.2 -1,-0.3 0.698 106.0 66.5 -69.9 -20.3 18.8 13.0 5.0 83 86 A D H X< S+ 0 0 0 -4,-1.6 3,-1.9 -3,-0.6 4,-0.5 0.847 89.7 65.7 -69.8 -31.8 16.5 15.2 2.8 84 87 A L G X< S+ 0 0 1 -4,-1.3 3,-1.4 -3,-0.7 -1,-0.2 0.811 86.1 69.8 -59.6 -30.4 19.6 16.7 1.2 85 88 A S G < S+ 0 0 82 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.692 93.0 61.3 -60.9 -17.2 20.5 13.3 -0.3 86 89 A V G < S+ 0 0 6 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.776 86.1 95.9 -80.4 -27.7 17.5 14.0 -2.5 87 90 A L < - 0 0 8 -3,-1.4 7,-0.1 -4,-0.5 -18,-0.0 -0.211 49.0-177.0 -68.6 152.9 18.8 17.1 -4.1 88 91 A T > - 0 0 27 29,-0.1 3,-2.1 1,-0.0 29,-0.1 -0.982 40.6-110.8-146.1 151.7 20.6 17.3 -7.5 89 92 A P T 3 S+ 0 0 81 0, 0.0 -2,-0.0 0, 0.0 28,-0.0 0.686 110.8 72.3 -56.6 -19.1 22.3 20.2 -9.4 90 93 A E T 3 S+ 0 0 123 29,-0.0 -22,-0.3 2,-0.0 2,-0.1 0.676 76.8 94.7 -72.3 -18.9 19.5 20.0 -12.0 91 94 A L S < S- 0 0 7 -3,-2.1 -22,-0.2 1,-0.1 3,-0.1 -0.403 77.7-134.5 -70.1 152.9 17.0 21.5 -9.6 92 95 A S S S- 0 0 21 -24,-2.5 2,-0.3 1,-0.2 -23,-0.2 0.736 76.1 -41.0 -79.3 -23.8 16.4 25.2 -9.9 93 96 A G E -d 69 0A 0 -25,-0.9 -23,-1.0 26,-0.2 2,-0.4 -0.985 56.1 -99.1 179.3-177.3 16.6 25.5 -6.1 94 97 A V E -de 70 121A 0 26,-2.2 28,-2.5 -2,-0.3 2,-0.6 -0.995 25.6-138.5-129.3 134.2 15.7 24.1 -2.7 95 98 A V E -de 71 122A 1 -25,-2.7 -23,-2.0 -2,-0.4 28,-0.2 -0.824 15.7-168.0 -94.6 122.3 12.9 25.3 -0.5 96 99 A V E - e 0 123A 0 26,-1.8 28,-2.6 -2,-0.6 3,-0.5 -0.921 13.5-150.5-113.8 108.7 13.8 25.6 3.2 97 100 A P + 0 0 1 0, 0.0 -22,-0.5 0, 0.0 28,-0.1 -0.289 66.4 15.0 -76.5 159.3 10.7 26.1 5.5 98 101 A K S S+ 0 0 66 1,-0.2 2,-0.2 -24,-0.1 27,-0.2 0.815 72.7 176.0 48.7 43.7 10.5 27.9 8.8 99 102 A L + 0 0 1 25,-2.1 27,-0.3 -3,-0.5 28,-0.2 -0.538 6.0 175.9 -73.2 144.9 13.9 29.7 8.6 100 103 A E + 0 0 59 1,-0.3 2,-0.3 -2,-0.2 33,-0.2 0.511 53.2 26.9-132.3 -7.6 14.3 32.0 11.6 101 104 A M S > S- 0 0 86 1,-0.1 4,-1.3 35,-0.1 -1,-0.3 -0.978 71.2-116.1-151.6 159.6 17.7 33.6 11.6 102 105 A G H > S+ 0 0 2 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.843 115.7 60.2 -65.7 -32.1 20.4 34.6 9.1 103 106 A A H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.850 100.3 54.4 -64.3 -35.1 22.7 32.1 10.7 104 107 A E H > S+ 0 0 9 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.912 108.8 47.8 -66.4 -40.2 20.3 29.3 9.9 105 108 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.868 111.6 50.6 -68.2 -34.9 20.3 30.2 6.2 106 109 A R H X S+ 0 0 145 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.885 108.7 51.8 -69.1 -37.3 24.1 30.4 6.2 107 110 A Q H X S+ 0 0 76 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.930 110.9 48.6 -61.4 -45.7 24.2 27.0 7.8 108 111 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.923 110.9 49.9 -59.2 -47.6 21.9 25.7 5.1 109 112 A A H X S+ 0 0 12 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.911 112.9 46.7 -59.6 -43.9 24.1 27.3 2.4 110 113 A Q H X S+ 0 0 112 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.921 111.0 50.7 -66.1 -44.3 27.3 25.8 3.8 111 114 A M H X S+ 0 0 53 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.902 110.2 50.7 -60.5 -40.1 25.8 22.3 4.2 112 115 A L H ><>S+ 0 0 4 -4,-2.3 5,-3.1 1,-0.2 3,-0.6 0.906 110.0 50.3 -63.2 -42.1 24.6 22.4 0.6 113 116 A Q H ><5S+ 0 0 132 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.901 108.1 52.6 -63.2 -41.6 28.0 23.4 -0.6 114 117 A E H 3<5S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.646 107.9 50.4 -71.3 -14.2 29.6 20.6 1.4 115 118 A R T <<5S- 0 0 95 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.297 119.4-115.1-100.5 5.6 27.3 18.0 -0.3 116 119 A S T < 5S+ 0 0 92 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.918 78.6 128.5 59.0 46.6 28.4 19.6 -3.6 117 120 A L < - 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0 0 77 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 -0.013 36.6-106.1 -48.1 154.1 10.0 66.6 -16.3 272 43 B G S S+ 0 0 62 4,-0.1 2,-0.3 -4,-0.1 -4,-0.0 -0.417 78.4 106.4 -88.0 62.5 13.1 64.5 -15.9 273 44 B T S > S- 0 0 56 -2,-1.4 4,-2.1 1,-0.1 5,-0.2 -0.949 75.0-121.3-132.9 153.3 15.5 66.1 -18.4 274 45 B A H > S+ 0 0 59 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.847 114.8 52.4 -61.9 -32.2 18.5 68.4 -17.9 275 46 B E H > S+ 0 0 137 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.947 109.1 45.9 -68.7 -50.9 16.8 71.0 -20.0 276 47 B A H > S+ 0 0 23 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.858 114.9 48.1 -62.1 -37.6 13.5 71.0 -18.1 277 48 B K H X S+ 0 0 7 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.893 112.4 47.1 -71.9 -40.9 15.2 71.2 -14.7 278 49 B A H < S+ 0 0 51 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.869 111.7 51.8 -68.1 -35.9 17.6 74.0 -15.7 279 50 B A H X S+ 0 0 65 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.812 110.0 51.2 -69.1 -29.7 14.7 75.9 -17.2 280 51 B A H X S+ 0 0 0 -4,-1.2 4,-2.7 -5,-0.2 3,-0.3 0.864 93.9 72.2 -77.0 -36.6 12.8 75.5 -14.0 281 52 B R H X S+ 0 0 30 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.863 97.0 45.0 -50.1 -51.3 15.4 76.7 -11.5 282 53 B P H > S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.875 114.5 51.0 -65.9 -32.1 15.4 80.5 -12.3 283 54 B V H X S+ 0 0 46 -4,-0.6 4,-2.9 -3,-0.3 5,-0.3 0.952 113.1 43.9 -66.5 -49.3 11.6 80.5 -12.3 284 55 B A H X S+ 0 0 0 -4,-2.7 4,-2.2 -39,-0.3 5,-0.2 0.909 114.2 52.1 -61.9 -42.3 11.4 78.7 -8.9 285 56 B H H X S+ 0 0 61 -4,-2.7 4,-1.4 -5,-0.3 -2,-0.2 0.942 117.7 34.8 -59.8 -51.4 14.1 80.9 -7.5 286 57 B D H X S+ 0 0 60 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.848 116.5 53.8 -74.7 -35.1 12.5 84.2 -8.5 287 58 B A H X S+ 0 0 10 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.892 108.2 50.8 -66.3 -38.9 8.9 83.1 -7.9 288 59 B A H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.916 111.1 49.2 -62.7 -43.9 9.8 82.0 -4.4 289 60 B R H X S+ 0 0 132 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.886 112.0 47.0 -63.0 -42.3 11.3 85.4 -3.8 290 61 B D H X S+ 0 0 92 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.823 111.7 53.2 -69.5 -31.1 8.3 87.2 -5.1 291 62 B L H X S+ 0 0 8 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.915 107.1 49.3 -69.6 -44.9 6.1 85.0 -3.0 292 63 B I H < S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.831 111.3 50.2 -64.1 -34.3 7.9 85.7 0.3 293 64 B A H < S+ 0 0 80 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.804 115.9 42.4 -74.7 -29.6 7.7 89.5 -0.4 294 65 B A H < S+ 0 0 80 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.864 126.5 29.8 -83.6 -39.8 4.0 89.3 -1.1 295 66 B A S >< S+ 0 0 21 -4,-2.9 3,-1.9 1,-0.1 -1,-0.2 -0.704 70.1 176.7-123.4 77.5 3.0 86.9 1.8 296 67 B P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.677 79.5 47.3 -53.1 -26.7 5.6 87.6 4.6 297 68 B H T 3 S+ 0 0 187 2,-0.1 2,-0.3 -64,-0.0 -5,-0.1 0.371 86.6 107.6-101.3 4.2 4.0 85.2 7.0 298 69 B L S < S- 0 0 30 -3,-1.9 2,-0.9 -7,-0.2 -37,-0.1 -0.656 73.1-124.2 -85.5 135.8 3.7 82.3 4.7 299 70 B A E -k 261 0B 6 -39,-0.6 -37,-2.5 -2,-0.3 2,-0.5 -0.704 33.4-165.6 -80.9 108.9 6.0 79.3 5.2 300 71 B V E +k 262 0B 1 -2,-0.9 24,-2.7 22,-0.2 25,-0.8 -0.873 10.7 175.6-105.3 123.8 7.7 78.9 1.8 301 72 B F E -kl 263 325B 0 -39,-2.6 -37,-2.4 -2,-0.5 2,-0.4 -0.827 19.4-149.2-120.0 159.3 9.6 75.7 0.9 302 73 B V E -kl 264 326B 0 23,-0.9 25,-2.6 -2,-0.3 2,-0.7 -0.980 13.3-143.3-124.9 136.3 11.3 74.5 -2.2 303 74 B R E -kl 265 327B 17 -39,-2.6 -37,-2.3 -2,-0.4 -36,-0.4 -0.912 18.9-161.9-103.9 116.5 11.5 70.8 -3.0 304 75 B V - 0 0 1 23,-1.8 -37,-0.2 -2,-0.7 3,-0.1 -0.358 28.8 -89.8 -86.2 172.3 14.8 69.8 -4.6 305 76 B N - 0 0 9 1,-0.2 -1,-0.2 -39,-0.1 -38,-0.1 -0.197 64.5 -63.0 -73.8 173.2 15.4 66.6 -6.5 306 77 B A > - 0 0 22 1,-0.1 3,-2.2 22,-0.1 6,-0.5 -0.247 48.8-113.5 -60.9 146.3 16.7 63.5 -4.8 307 78 B L T 3 S+ 0 0 17 22,-0.5 6,-0.2 1,-0.3 -1,-0.1 0.847 115.2 41.1 -45.8 -46.7 20.1 63.6 -3.1 308 79 B H T 3 S+ 0 0 137 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.276 92.1 107.5 -91.0 11.9 21.7 61.1 -5.5 309 80 B S S X S- 0 0 32 -3,-2.2 3,-0.7 1,-0.1 4,-0.3 -0.450 82.9-113.9 -83.3 163.1 20.0 62.5 -8.7 310 81 B P T 3 S+ 0 0 108 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.560 112.8 56.3 -75.3 -2.4 22.1 64.4 -11.2 311 82 B Y T 3> S+ 0 0 45 -5,-0.2 4,-2.3 2,-0.1 5,-0.2 0.640 77.9 91.3-102.0 -15.5 20.1 67.6 -10.4 312 83 B F H <> S+ 0 0 3 -3,-0.7 4,-1.3 -6,-0.5 -1,-0.1 0.886 85.3 48.8 -46.4 -57.8 20.6 67.9 -6.6 313 84 B E H >4 S+ 0 0 107 -4,-0.3 3,-0.8 1,-0.2 4,-0.5 0.925 114.6 43.4 -53.0 -53.8 23.7 70.1 -6.6 314 85 B D H >4 S+ 0 0 93 -4,-0.3 3,-1.4 1,-0.2 4,-0.4 0.854 105.8 64.0 -63.5 -33.1 22.4 72.6 -9.1 315 86 B D H >< S+ 0 0 1 -4,-2.3 3,-1.8 1,-0.3 4,-0.5 0.827 89.7 69.0 -59.4 -31.2 19.0 72.7 -7.3 316 87 B L G X< S+ 0 0 3 -4,-1.3 3,-1.3 -3,-0.8 -1,-0.3 0.803 86.4 66.1 -58.5 -30.7 20.7 74.0 -4.2 317 88 B S G < S+ 0 0 74 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.717 91.9 63.6 -65.4 -19.4 21.4 77.3 -6.0 318 89 B V G < S+ 0 0 4 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.767 88.0 91.8 -74.0 -25.7 17.6 77.9 -6.0 319 90 B L < - 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0 0 2 -5,-2.4 -1,-0.3 1,-0.1 -25,-0.2 -0.526 31.7-159.1 -74.7 147.5 -0.4 62.4 11.4 445 216 B S + 0 0 27 -27,-2.2 2,-0.3 -2,-0.2 -26,-0.2 0.422 69.8 9.2-106.8 -1.4 -0.5 66.2 12.2 446 217 B G E - p 0 419B 0 -28,-1.0 -26,-3.5 16,-0.1 2,-0.3 -0.954 65.9-132.8-163.3 173.9 -0.8 67.5 8.7 447 218 B K E -ip 239 420B 0 -209,-2.0 -207,-1.5 -28,-0.3 -26,-0.2 -0.999 22.0-115.6-144.9 138.7 -1.4 66.4 5.1 448 219 B L E -i 240 0B 9 -28,-2.3 2,-0.4 -2,-0.3 -25,-0.3 -0.460 33.6-158.1 -70.2 141.6 0.2 67.1 1.8 449 220 B C E -i 241 0B 0 -209,-3.6 -207,-2.1 -2,-0.1 -27,-0.1 -0.970 24.0-179.5-125.9 139.4 -2.2 68.9 -0.7 450 221 B I S S+ 0 0 67 -2,-0.4 -1,-0.1 -27,-0.3 -209,-0.1 0.353 76.9 43.9-117.0 5.2 -2.0 69.1 -4.5 451 222 B H S >> S- 0 0 79 1,-0.1 3,-2.9 -208,-0.0 4,-0.5 -0.962 81.1-125.9-149.7 128.5 -5.1 71.3 -5.1 452 223 B P H >> S+ 0 0 64 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.755 107.7 66.2 -45.8 -31.4 -6.0 74.4 -3.1 453 224 B A H 3> S+ 0 0 60 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.768 92.9 60.7 -66.3 -23.4 -9.5 73.0 -2.4 454 225 B Q H <> S+ 0 0 8 -3,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.753 89.5 73.5 -74.9 -21.7 -7.8 70.2 -0.3 455 226 B V H X S+ 0 0 20 -4,-0.9 3,-0.9 1,-0.2 4,-0.7 0.904 107.2 51.4 -63.9 -41.0 -10.6 70.0 4.0 458 229 B A H >X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 3,-1.2 0.901 104.4 58.5 -61.6 -40.8 -7.3 69.2 5.7 459 230 B H H 3< S+ 0 0 51 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.714 96.9 61.4 -63.8 -20.1 -8.0 71.9 8.2 460 231 B E H << S+ 0 0 115 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.791 116.5 30.8 -75.2 -26.1 -11.2 70.1 9.2 461 232 B Y H << S+ 0 0 48 -3,-1.2 2,-0.3 -4,-0.7 -2,-0.2 0.752 115.8 51.9-104.1 -28.5 -9.1 67.1 10.3 462 233 B F < 0 0 4 -4,-2.6 -224,-0.1 -224,-0.1 -17,-0.1 -0.835 360.0 360.0-115.5 151.3 -5.8 68.4 11.5 463 234 B G 0 0 80 -2,-0.3 -17,-0.0 -226,-0.1 -226,-0.0 -0.459 360.0 360.0 119.1 360.0 -4.8 71.1 14.0 464 !* 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 0.0 465 4 C P 0 0 87 0, 0.0 65,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 153.0 -0.8 32.6 38.4 466 5 C P - 0 0 73 0, 0.0 3,-0.0 0, 0.0 26,-0.0 -0.272 360.0-128.5 -64.2 152.4 -1.5 30.8 35.2 467 6 C A S S+ 0 0 79 1,-0.1 2,-0.5 181,-0.0 182,-0.1 0.853 99.3 50.8 -67.5 -33.8 0.7 31.6 32.2 468 7 C L - 0 0 113 141,-0.0 2,-0.5 181,-0.0 -1,-0.1 -0.918 65.2-174.5-112.5 130.6 -2.5 32.2 30.2 469 8 C L - 0 0 0 -2,-0.5 3,-0.1 1,-0.1 210,-0.1 -0.970 7.0-168.9-124.0 111.0 -5.3 34.6 31.4 470 9 C R S S+ 0 0 86 -2,-0.5 209,-1.5 208,-0.2 2,-0.3 0.845 75.6 18.0 -68.2 -36.0 -8.4 34.6 29.2 471 10 C S E -q 679 0C 0 207,-0.2 22,-1.6 220,-0.1 2,-0.4 -0.999 56.5-167.3-142.6 143.0 -9.9 37.7 30.9 472 11 C V E -qr 680 493C 0 207,-1.5 209,-3.6 -2,-0.3 2,-0.4 -0.947 17.0-159.6-133.0 107.4 -8.7 40.4 33.2 473 12 C L E -qr 681 494C 2 20,-2.6 22,-2.8 -2,-0.4 2,-0.3 -0.754 7.3-143.2 -95.2 132.3 -11.4 42.5 34.9 474 13 C F E + r 0 495C 35 207,-2.0 22,-0.2 -2,-0.4 -2,-0.0 -0.647 17.9 177.4 -96.6 150.7 -10.7 46.0 36.3 475 14 C A E - r 0 496C 4 20,-2.1 22,-2.6 -2,-0.3 26,-0.1 -0.987 39.1 -98.2-149.0 137.1 -12.1 47.7 39.4 476 15 C P E > - r 0 497C 37 0, 0.0 3,-1.5 0, 0.0 7,-0.2 -0.318 27.1-137.7 -58.0 132.7 -11.3 51.2 40.8 477 16 C G T 3 S+ 0 0 0 20,-2.8 21,-0.2 1,-0.3 42,-0.2 0.845 101.1 51.4 -60.6 -37.4 -8.8 51.0 43.6 478 17 C N T 3 S+ 0 0 53 19,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.111 92.4 83.3 -89.4 22.9 -10.6 53.5 45.8 479 18 C R X> + 0 0 112 -3,-1.5 4,-2.0 1,-0.1 3,-1.2 -0.605 51.4 176.3-127.2 73.5 -13.9 51.6 45.6 480 19 C A H 3> S+ 0 0 52 -2,-0.3 4,-1.2 1,-0.3 -1,-0.1 0.727 78.7 57.1 -45.4 -31.8 -13.7 48.8 48.2 481 20 C D H 3> S+ 0 0 72 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.880 107.6 44.7 -73.3 -38.8 -17.3 47.8 47.4 482 21 C L H X> S+ 0 0 52 -3,-1.2 4,-0.9 1,-0.2 3,-0.7 0.869 107.1 59.7 -72.4 -36.5 -16.7 47.2 43.7 483 22 C I H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.896 103.7 53.0 -56.9 -39.4 -13.5 45.3 44.3 484 23 C A H 3< S+ 0 0 69 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.749 103.9 54.9 -69.2 -25.3 -15.5 42.9 46.4 485 24 C K H X< S+ 0 0 91 -3,-0.7 3,-2.2 -4,-0.7 4,-0.3 0.635 81.4 98.3 -82.7 -13.8 -17.9 42.2 43.5 486 25 C L G X< S+ 0 0 12 -4,-0.9 3,-0.6 -3,-0.8 4,-0.2 0.776 73.0 58.4 -42.0 -45.8 -15.1 41.3 41.2 487 26 C P G > S+ 0 0 47 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 0.653 83.2 89.2 -65.5 -14.6 -15.4 37.5 41.6 488 27 C R G < S+ 0 0 190 -3,-2.2 -2,-0.1 1,-0.3 -3,-0.0 0.896 88.5 41.8 -50.4 -54.8 -19.0 37.5 40.3 489 28 C S G < S- 0 0 33 -3,-0.6 -1,-0.3 -4,-0.3 -3,-0.1 0.511 106.8-127.0 -74.2 -4.7 -18.3 37.1 36.6 490 29 C A < - 0 0 66 -3,-1.3 2,-0.1 -4,-0.2 -2,-0.1 0.954 40.1-179.8 58.3 55.0 -15.6 34.5 37.4 491 30 C P - 0 0 4 0, 0.0 40,-0.2 0, 0.0 -1,-0.1 -0.491 37.9-120.6 -83.2 158.2 -12.8 36.1 35.4 492 31 C D S S+ 0 0 39 1,-0.2 39,-1.4 -21,-0.2 2,-0.3 0.840 93.2 6.7 -66.8 -32.0 -9.4 34.5 35.2 493 32 C A E -rs 472 531C 0 -22,-1.6 -20,-2.6 37,-0.2 2,-0.3 -0.988 63.4-154.7-149.8 156.6 -7.8 37.7 36.7 494 33 C V E -rs 473 532C 0 37,-2.2 39,-2.6 -2,-0.3 2,-0.5 -0.940 8.3-147.6-131.8 154.7 -8.8 41.0 38.3 495 34 C V E -rs 474 533C 1 -22,-2.8 -20,-2.1 -2,-0.3 2,-0.9 -0.965 4.3-153.7-129.9 115.7 -6.9 44.3 38.6 496 35 C I E -rs 475 534C 0 37,-3.0 39,-2.5 -2,-0.5 2,-0.6 -0.779 30.3-146.5 -87.4 108.7 -7.4 46.7 41.5 497 36 C D E +rs 476 535C 4 -22,-2.6 -20,-2.8 -2,-0.9 -19,-0.3 -0.706 38.6 164.2 -93.8 116.5 -6.5 49.9 39.7 498 37 C L S S+ 0 0 2 37,-2.6 38,-0.1 -2,-0.6 -1,-0.1 0.450 74.6 58.9 -98.3 -4.6 -4.7 52.9 41.4 499 38 C E S > S+ 0 0 13 36,-0.4 3,-1.2 37,-0.2 38,-0.1 0.774 117.0 2.6 -89.5-102.6 -3.8 54.5 38.1 500 39 C D T 3 S+ 0 0 91 1,-0.2 4,-0.1 4,-0.0 -2,-0.0 0.868 123.7 63.4 -55.2 -44.0 -6.5 55.5 35.5 501 40 C A T 3 S+ 0 0 42 -26,-0.1 -1,-0.2 2,-0.1 -3,-0.1 0.729 100.6 59.8 -56.7 -26.2 -9.5 54.5 37.7 502 41 C V S < S- 0 0 6 -3,-1.2 7,-0.1 1,-0.1 -4,-0.0 -0.838 96.1 -95.3-110.3 147.7 -8.6 57.1 40.3 503 42 C P - 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