==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JAN-10 3LJF . COMPND 2 MOLECULE: IRON SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS HALOPLANKTIS; . AUTHOR A.MERLINO,I.RUSSO KRAUSS,B.ROSSI,M.CONTE,A.VERGARA,F.SICA . 768 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 69.9 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 . 72 9.4 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 . 4 0.5 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 . 31 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 3.0 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 4 1 1 6 4 0 0 8 4 4 0 0 0 0 4 0 0 0 0 0 0 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 . 4 0 0 0 0 4 4 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 4 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 A 0 0 106 0, 0.0 35,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 149.5 -23.5 -9.3 35.6 2 2 A F - 0 0 48 33,-0.2 2,-0.3 34,-0.1 37,-0.1 -0.244 360.0-148.3 -71.8 162.0 -20.1 -10.6 36.5 3 3 A E - 0 0 156 36,-0.0 -1,-0.0 -2,-0.0 29,-0.0 -0.976 20.5-109.5-134.7 151.4 -19.2 -11.5 40.1 4 4 A L - 0 0 50 -2,-0.3 2,-0.1 1,-0.0 3,-0.1 -0.623 42.2-129.8 -73.5 123.6 -16.1 -11.3 42.1 5 5 A P - 0 0 52 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.458 27.4 -98.7 -77.4 159.8 -15.1 -15.0 42.7 6 6 A S - 0 0 111 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.303 43.3 -96.0 -69.0 159.1 -14.3 -16.0 46.3 7 7 A L - 0 0 28 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.558 32.4-130.6 -71.8 138.7 -10.7 -16.2 47.4 8 8 A P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.551 87.1 24.8 -71.4 0.8 -9.7 -19.9 46.9 9 9 A Y S S- 0 0 29 72,-0.0 5,-0.1 1,-0.0 -2,-0.1 -0.939 104.1 -68.1-151.1 167.5 -8.2 -20.0 50.5 10 10 A A > - 0 0 59 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.195 50.1-109.5 -60.4 156.7 -8.6 -18.1 53.9 11 11 A I T 3 S+ 0 0 63 1,-0.3 12,-0.3 2,-0.1 3,-0.2 0.721 120.3 40.4 -61.6 -21.0 -7.5 -14.4 53.9 12 12 A D T > S+ 0 0 88 1,-0.1 3,-1.5 2,-0.1 -1,-0.3 0.389 86.0 101.1-105.7 4.9 -4.6 -15.2 56.1 13 13 A A T < S+ 0 0 28 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.635 78.0 53.9 -64.9 -15.6 -3.6 -18.5 54.4 14 14 A L T >> S+ 0 0 0 4,-0.3 3,-1.9 -4,-0.3 4,-1.2 0.467 89.1 157.4 -98.9 0.4 -0.7 -17.1 52.4 15 15 A E T <4 + 0 0 85 -3,-1.5 4,-0.1 1,-0.3 -3,-0.0 -0.281 55.6 21.9 -63.2 147.7 1.1 -15.6 55.5 16 16 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.929 128.2 50.3 -89.3 14.8 3.9 -14.9 56.0 17 17 A H T <4 S+ 0 0 54 -3,-1.9 2,-0.4 1,-0.3 -2,-0.3 0.870 126.5 10.6 -81.6 -38.8 4.4 -14.6 52.2 18 18 A I S < S- 0 0 0 -4,-1.2 -1,-0.3 -6,-0.1 -4,-0.3 -0.950 93.1-124.9-141.8 120.0 1.5 -12.4 51.2 19 19 A S > - 0 0 15 -2,-0.4 4,-2.2 -3,-0.2 5,-0.2 -0.090 14.3-114.3 -71.5 162.9 -0.4 -10.8 54.1 20 20 A K H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.880 118.2 51.3 -57.6 -42.2 -3.9 -10.7 55.2 21 21 A E H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.908 106.6 51.9 -68.4 -38.4 -4.0 -7.0 54.5 22 22 A T H > S+ 0 0 0 1,-0.2 4,-4.0 2,-0.2 5,-0.4 0.936 112.3 47.7 -61.2 -42.2 -2.7 -7.3 51.0 23 23 A L H X>S+ 0 0 1 -4,-2.2 4,-2.3 -12,-0.3 5,-1.5 0.928 108.6 54.5 -64.6 -44.1 -5.3 -9.9 50.3 24 24 A E H <5S+ 0 0 87 -4,-2.6 5,-0.3 -5,-0.2 4,-0.2 0.930 121.3 29.6 -57.3 -46.6 -8.0 -7.7 51.8 25 25 A F H X>S+ 0 0 35 -4,-2.5 5,-2.8 3,-0.2 4,-1.5 0.917 123.3 47.7 -77.2 -46.9 -7.1 -4.8 49.5 26 26 A H H <>S+ 0 0 0 -4,-4.0 5,-2.1 -5,-0.3 -3,-0.2 0.954 131.0 18.5 -63.8 -52.0 -5.8 -6.7 46.4 27 27 A H T <>S+ 0 0 25 -4,-2.3 5,-1.0 -5,-0.4 -3,-0.2 0.930 128.9 48.7 -82.6 -51.0 -8.7 -9.1 46.2 28 28 A G T 4< + 0 0 14 -4,-1.5 3,-1.6 -3,-0.1 6,-0.2 0.872 67.4 97.1 -71.5 -39.0 -21.3 -3.7 29.2 43 43 A P T 3 S+ 0 0 78 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.143 92.5 17.0 -53.4 140.8 -25.0 -2.6 28.9 44 44 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 2,-0.1 -2,-0.1 0.630 109.2 95.2 74.0 13.3 -25.9 -1.3 25.4 45 45 A T S X S- 0 0 51 -3,-1.6 3,-1.6 1,-0.0 -1,-0.2 -0.798 90.0-102.6-127.3 170.8 -22.8 -2.8 23.7 46 46 A K G > S+ 0 0 110 1,-0.3 3,-0.7 -2,-0.3 4,-0.3 0.710 115.3 72.3 -68.6 -15.0 -22.2 -6.0 21.8 47 47 A F G 3 + 0 0 41 1,-0.2 -1,-0.3 -5,-0.2 3,-0.2 0.466 67.6 113.4 -79.6 7.5 -20.5 -7.4 24.9 48 48 A E G < S+ 0 0 85 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.825 86.9 15.4 -47.1 -45.8 -23.9 -7.6 26.3 49 49 A N S < S+ 0 0 151 -3,-0.7 -1,-0.2 -7,-0.1 -2,-0.1 0.574 97.2 119.4-112.5 -3.8 -24.2 -11.4 26.5 50 50 A K - 0 0 48 -4,-0.3 2,-0.1 -3,-0.2 -3,-0.0 -0.047 64.1-108.5 -62.5 157.7 -20.7 -12.7 26.2 51 51 A S > - 0 0 36 1,-0.1 4,-2.6 4,-0.0 3,-0.3 -0.478 38.2-104.7 -78.8 154.2 -18.5 -14.7 28.6 52 52 A L H > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.914 123.6 49.4 -44.7 -46.9 -15.6 -13.0 30.3 53 53 A E H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 107.1 53.6 -64.2 -39.6 -13.2 -14.7 28.0 54 54 A E H > S+ 0 0 103 -3,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.915 111.4 47.8 -63.0 -39.8 -15.2 -13.8 24.8 55 55 A I H >X S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 4,-1.3 0.980 109.8 48.7 -67.6 -50.4 -15.0 -10.2 25.9 56 56 A V H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.837 113.4 51.0 -58.9 -27.4 -11.3 -10.1 26.7 57 57 A C H 3< S+ 0 0 74 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.486 122.5 28.0 -88.3 -3.3 -10.7 -11.7 23.3 58 58 A S H << S+ 0 0 60 -3,-2.0 -2,-0.2 -4,-0.5 2,-0.2 0.267 102.6 100.6-138.5 12.1 -12.8 -9.3 21.3 59 59 A S < - 0 0 19 -4,-1.3 2,-0.3 -3,-0.2 -4,-0.0 -0.579 43.9-166.0-108.3 169.5 -12.6 -6.1 23.3 60 60 A D >> - 0 0 139 -2,-0.2 4,-2.0 4,-0.0 3,-1.0 -0.807 50.2 -6.7-137.3 174.4 -10.7 -2.8 23.3 61 61 A G H 3> S- 0 0 40 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.056 124.9 -2.7 34.3-133.8 -10.0 0.2 25.5 62 62 A G H 3> S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.769 132.6 55.1 -58.0 -33.8 -11.9 0.3 28.8 63 63 A V H <> S+ 0 0 18 -3,-1.0 4,-2.6 1,-0.2 5,-0.2 0.953 113.1 45.6 -66.4 -42.6 -14.0 -2.8 28.3 64 64 A F H X S+ 0 0 32 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.911 109.1 52.6 -64.8 -48.9 -10.7 -4.7 27.7 65 65 A N H X S+ 0 0 43 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.942 116.9 40.7 -58.6 -40.6 -8.7 -3.2 30.7 66 66 A N H X S+ 0 0 12 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.954 118.1 43.6 -73.8 -44.0 -11.5 -4.2 33.1 67 67 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.919 115.6 47.8 -66.7 -44.8 -12.4 -7.6 31.7 68 68 A A H X S+ 0 0 0 -4,-2.6 4,-3.9 -5,-0.2 5,-0.3 0.926 110.0 53.4 -64.0 -41.4 -8.8 -8.7 31.3 69 69 A Q H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.4 -1,-0.2 0.870 109.0 49.5 -63.0 -31.3 -7.9 -7.5 34.8 70 70 A I H X S+ 0 0 5 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.953 115.4 43.3 -70.5 -46.7 -10.7 -9.6 36.2 71 71 A W H X S+ 0 0 40 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.950 113.9 50.7 -60.8 -47.3 -9.5 -12.6 34.3 72 72 A N H X S+ 0 0 0 -4,-3.9 4,-2.1 1,-0.2 -1,-0.2 0.860 111.3 47.2 -59.9 -44.4 -5.9 -12.0 35.1 73 73 A H H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.835 110.2 52.5 -68.9 -34.8 -6.5 -11.7 38.9 74 74 A T H X S+ 0 0 41 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.952 111.6 47.1 -64.3 -44.2 -8.7 -14.8 39.0 75 75 A F H X S+ 0 0 15 -4,-2.4 4,-0.9 1,-0.2 80,-0.3 0.861 111.2 53.2 -61.2 -41.6 -5.8 -16.6 37.2 76 76 A Y H < S+ 0 0 1 -4,-2.1 -1,-0.2 2,-0.2 4,-0.2 0.877 105.4 50.6 -63.1 -42.8 -3.3 -15.1 39.8 77 77 A W H >< S+ 0 0 7 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.875 112.2 49.2 -64.4 -34.8 -5.2 -16.2 43.0 78 78 A N H 3< S+ 0 0 53 -4,-1.5 -1,-0.2 1,-0.2 108,-0.2 0.696 100.3 66.0 -75.2 -25.3 -5.3 -19.8 41.5 79 79 A S T 3< S+ 0 0 0 -4,-0.9 104,-2.0 -5,-0.2 2,-0.3 0.476 102.3 56.0 -74.9 -2.5 -1.6 -19.5 40.7 80 80 A L B < +A 182 0A 2 -3,-1.0 102,-0.2 102,-0.2 98,-0.1 -0.856 63.1 175.0-125.4 164.5 -0.9 -19.4 44.6 81 81 A S > - 0 0 18 100,-1.1 3,-1.7 -2,-0.3 103,-0.1 -0.954 44.0-124.7-169.5 143.8 -1.8 -21.8 47.5 82 82 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.0 0, 0.0 -73,-0.0 0.655 121.0 43.7 -65.4 -10.9 -1.2 -22.3 51.2 83 83 A N T 3 S+ 0 0 142 98,-0.2 2,-0.1 -3,-0.0 98,-0.1 0.078 99.7 85.1-121.0 24.2 -0.0 -25.7 50.0 84 84 A G < + 0 0 26 -3,-1.7 99,-0.2 96,-0.1 98,-0.2 -0.129 49.2 84.0-103.3-153.8 2.1 -24.8 47.0 85 85 A G + 0 0 15 97,-3.3 95,-0.2 1,-0.2 99,-0.2 -0.215 56.4 66.2 87.9-179.9 5.8 -23.7 46.7 86 86 A G S S- 0 0 50 93,-0.9 -1,-0.2 -2,-0.1 96,-0.1 -0.145 95.4 -0.0 67.7-162.6 8.9 -25.7 46.6 87 87 A A S S- 0 0 70 1,-0.1 97,-0.1 97,-0.0 6,-0.1 -0.242 73.9-113.6 -64.6 147.9 9.9 -28.0 43.6 88 88 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.365 36.4-158.0 -72.8 159.5 7.6 -28.4 40.6 89 89 A T > + 0 0 80 95,-0.1 4,-1.6 -2,-0.1 3,-0.4 -0.839 40.2 0.4-133.1 170.9 6.1 -31.9 40.1 90 90 A G H > S- 0 0 45 -2,-0.3 4,-1.9 1,-0.2 3,-0.2 0.039 118.3 -10.5 53.0-153.7 4.6 -34.0 37.3 91 91 A A H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.879 135.0 51.9 -49.2 -44.5 4.3 -32.8 33.7 92 92 A V H > S+ 0 0 0 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.937 106.5 53.9 -61.5 -45.8 5.2 -29.2 34.4 93 93 A A H X S+ 0 0 12 -4,-1.6 4,-2.3 -3,-0.2 -1,-0.2 0.925 112.5 44.7 -50.3 -47.6 8.4 -30.1 36.2 94 94 A D H X S+ 0 0 109 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.890 110.6 51.3 -70.1 -37.8 9.6 -32.2 33.3 95 95 A A H X S+ 0 0 17 -4,-2.3 4,-2.6 2,-0.2 38,-0.3 0.881 108.9 53.3 -66.0 -36.3 8.7 -29.6 30.6 96 96 A I H X>S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.3 5,-0.7 0.961 110.0 47.4 -61.1 -49.2 10.6 -27.0 32.6 97 97 A N H X5S+ 0 0 75 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.924 111.2 52.8 -58.0 -40.5 13.6 -29.4 32.5 98 98 A A H <5S+ 0 0 89 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.914 119.4 33.0 -61.1 -42.1 13.0 -29.9 28.7 99 99 A K H <5S+ 0 0 94 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.936 133.8 22.1 -83.1 -49.3 13.1 -26.2 28.0 100 100 A W H <5S- 0 0 48 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.624 93.1-123.8 -99.6 -10.1 15.5 -24.7 30.6 101 101 A G S < S- 0 0 49 -6,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.991 76.6-113.3-158.2 158.6 16.8 -27.4 35.3 103 103 A F H > S+ 0 0 40 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.939 117.2 54.1 -60.4 -43.2 14.3 -26.0 37.7 104 104 A D H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.845 105.0 50.4 -60.9 -40.5 16.9 -23.5 38.8 105 105 A A H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.911 113.3 48.7 -63.4 -40.8 17.7 -22.1 35.4 106 106 A F H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.927 110.8 49.4 -63.4 -44.8 13.9 -21.6 34.9 107 107 A K H X S+ 0 0 73 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.936 112.5 46.8 -63.0 -46.7 13.5 -19.9 38.2 108 108 A E H X S+ 0 0 150 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.937 112.0 52.3 -61.4 -44.0 16.4 -17.5 37.6 109 109 A A H X S+ 0 0 28 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.914 112.2 44.3 -57.1 -44.1 15.0 -16.8 34.1 110 110 A L H X S+ 0 0 7 -4,-2.6 4,-3.4 2,-0.2 -1,-0.2 0.898 111.2 52.7 -69.7 -40.9 11.5 -15.9 35.4 111 111 A N H X S+ 0 0 42 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.953 110.4 49.3 -58.0 -49.5 12.9 -13.8 38.3 112 112 A D H X S+ 0 0 95 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.872 112.0 47.6 -59.4 -38.4 14.9 -11.8 35.7 113 113 A K H < S+ 0 0 71 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.949 116.7 45.3 -67.7 -45.1 11.9 -11.3 33.5 114 114 A A H >< S+ 0 0 0 -4,-3.4 3,-1.6 1,-0.2 -2,-0.2 0.943 110.0 49.3 -65.0 -52.5 9.8 -10.3 36.5 115 115 A V H 3< S+ 0 0 55 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.814 116.3 45.5 -61.7 -24.9 12.2 -7.8 38.2 116 116 A N T 3< S+ 0 0 88 -4,-1.2 2,-1.2 -5,-0.3 -1,-0.3 0.365 78.1 114.2 -98.0 2.6 12.8 -6.1 34.9 117 117 A N < - 0 0 10 -3,-1.6 2,-0.1 -4,-0.3 4,-0.1 -0.662 67.2-139.2 -76.4 100.7 9.2 -5.9 33.8 118 118 A F - 0 0 50 -2,-1.2 -2,-0.1 2,-0.1 40,-0.0 -0.382 53.5 -13.5 -73.0 135.5 8.8 -2.1 34.0 119 119 A G S S- 0 0 1 -2,-0.1 2,-0.3 20,-0.1 386,-0.1 -0.264 119.4 -11.5 74.5-160.3 5.6 -0.4 35.3 120 120 A S S S+ 0 0 1 39,-0.1 20,-2.3 386,-0.1 2,-0.3 -0.565 91.9 127.1 -73.3 134.7 2.4 -2.3 36.0 121 121 A S E -B 139 0B 0 18,-0.3 37,-2.4 -2,-0.3 38,-0.3 -0.966 49.9-118.9-173.3 178.1 2.7 -5.7 34.4 122 122 A W E -BC 138 157B 0 16,-2.5 16,-2.6 -2,-0.3 2,-0.5 -0.967 13.3-147.6-138.1 143.5 2.4 -9.5 34.7 123 123 A T E -BC 137 156B 1 33,-1.7 33,-1.6 -2,-0.3 2,-0.4 -0.983 26.7-158.4-117.6 125.1 5.1 -12.2 34.2 124 124 A W E -BC 136 155B 0 12,-3.5 12,-1.9 -2,-0.5 2,-0.6 -0.853 26.7-150.6-114.5 142.3 3.7 -15.4 32.8 125 125 A L E +BC 135 154B 2 29,-3.2 28,-2.7 -2,-0.4 29,-1.6 -0.933 39.5 177.5 -96.6 117.6 4.5 -19.1 32.5 126 126 A V E -BC 134 152B 0 8,-2.6 8,-1.7 -2,-0.6 2,-0.7 -0.926 33.0-132.8-124.5 153.7 2.8 -20.1 29.2 127 127 A K E -BC 133 151B 55 24,-3.2 24,-3.0 -2,-0.3 6,-0.2 -0.924 32.9-142.3-106.5 114.4 2.6 -23.4 27.2 128 128 A L > - 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0 0 9 100,-2.1 3,-1.3 -2,-0.3 103,-0.1 -0.987 42.1-135.0-157.0 145.3 5.3 22.5 48.5 468 82 B P T 3 S+ 0 0 63 0, 0.0 100,-0.1 0, 0.0 -1,-0.1 0.646 118.1 48.7 -71.1 -13.7 4.5 22.8 52.3 469 83 B N T 3 S+ 0 0 143 98,-0.2 98,-0.1 -3,-0.0 99,-0.1 0.321 103.5 77.8-104.2 3.5 3.7 26.4 51.2 470 84 B G < + 0 0 26 -3,-1.3 98,-0.2 97,-0.3 99,-0.2 0.116 50.7 88.3 -92.4-148.2 1.6 25.5 48.2 471 85 B G + 0 0 17 97,-2.7 95,-0.3 1,-0.2 99,-0.1 -0.055 58.6 59.6 83.1 171.4 -2.0 24.3 47.9 472 86 B G S S+ 0 0 47 93,-1.0 -1,-0.2 98,-0.0 96,-0.1 -0.253 94.3 4.6 73.2-158.1 -5.2 26.1 47.6 473 87 B A S S- 0 0 72 1,-0.1 97,-0.1 -3,-0.1 6,-0.1 -0.270 75.2-111.8 -66.7 141.3 -6.1 28.6 44.9 474 88 B P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.295 33.9-156.2 -70.1 160.6 -3.9 29.2 41.9 475 89 B T > - 0 0 65 95,-0.1 4,-1.7 4,-0.0 3,-0.4 -0.790 41.2 -4.6-131.0 169.4 -2.2 32.7 41.6 476 90 B G H > S- 0 0 46 -2,-0.3 4,-1.6 1,-0.2 3,-0.2 0.035 115.8 -8.3 51.4-149.2 -0.7 34.8 38.8 477 91 B A H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.847 135.2 49.8 -49.7 -48.6 -0.3 33.9 35.1 478 92 B V H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.879 105.1 58.1 -65.4 -39.6 -1.3 30.3 35.6 479 93 B A H X S+ 0 0 15 -4,-1.7 4,-1.6 -3,-0.2 -1,-0.2 0.909 113.5 39.8 -55.4 -44.7 -4.5 31.2 37.6 480 94 B D H X S+ 0 0 110 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.910 112.9 53.9 -73.0 -40.1 -5.7 33.3 34.6 481 95 B A H X S+ 0 0 16 -4,-2.7 4,-1.6 1,-0.2 38,-0.4 0.859 107.9 52.4 -62.4 -34.2 -4.5 30.8 32.0 482 96 B I H X>S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.6 0.933 108.9 48.3 -67.9 -43.4 -6.5 28.1 33.8 483 97 B N H X5S+ 0 0 71 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.879 107.8 57.7 -63.7 -31.8 -9.7 30.3 33.7 484 98 B A H <5S+ 0 0 88 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.887 117.0 31.2 -63.6 -40.7 -9.0 30.9 30.0 485 99 B K H <5S+ 0 0 97 -4,-1.6 -2,-0.2 -3,-0.1 -3,-0.1 0.928 135.2 22.1 -84.7 -51.8 -9.1 27.2 29.1 486 100 B W H <5S- 0 0 51 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.522 93.9-125.4 -97.5 -10.2 -11.5 25.6 31.6 487 101 B G S < S- 0 0 49 -6,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.986 76.1-117.7-159.3 154.7 -12.9 28.2 36.3 489 103 B F H > S+ 0 0 37 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.866 115.3 55.5 -61.6 -39.1 -10.4 26.7 38.7 490 104 B D H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.834 106.9 49.1 -62.4 -39.9 -13.0 24.2 40.0 491 105 B A H > S+ 0 0 35 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.871 111.8 50.5 -66.6 -40.2 -13.7 23.0 36.5 492 106 B F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.927 107.8 51.6 -63.2 -45.6 -10.0 22.5 36.0 493 107 B K H X S+ 0 0 70 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.909 112.3 47.4 -56.7 -46.2 -9.6 20.6 39.2 494 108 B E H X S+ 0 0 145 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.898 111.1 50.1 -65.7 -38.1 -12.4 18.2 38.1 495 109 B A H X S+ 0 0 32 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.874 113.7 44.5 -70.0 -33.3 -11.0 17.8 34.7 496 110 B L H X S+ 0 0 6 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.936 112.6 51.9 -73.3 -44.6 -7.5 16.9 36.0 497 111 B N H X S+ 0 0 45 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.908 110.1 49.7 -56.8 -42.6 -8.9 14.6 38.7 498 112 B D H X S+ 0 0 94 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.919 112.4 46.6 -64.2 -40.2 -10.9 12.8 36.1 499 113 B K H < S+ 0 0 86 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.4 48.4 -66.6 -37.4 -7.8 12.4 33.8 500 114 B A H >< S+ 0 0 0 -4,-3.1 3,-1.7 2,-0.2 -2,-0.2 0.947 108.5 49.0 -72.9 -46.9 -5.8 11.2 36.8 501 115 B V H 3< S+ 0 0 56 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.841 116.1 45.2 -64.7 -29.1 -8.2 8.6 38.3 502 116 B N T 3< S+ 0 0 91 -4,-1.5 2,-1.4 -5,-0.3 -1,-0.3 0.351 77.9 117.8 -94.3 6.7 -8.6 7.0 34.8 503 117 B N < - 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0 0 45 50,-0.0 2,-0.3 2,-0.0 37,-0.1 -0.930 360.0-145.2-161.2 151.3 -34.9 -11.8 -6.3 582 3 D E - 0 0 169 -2,-0.3 3,-0.0 3,-0.0 29,-0.0 -0.879 24.6-103.0-126.9 162.1 -33.8 -12.4 -2.8 583 4 D L - 0 0 48 -2,-0.3 3,-0.1 1,-0.1 28,-0.1 -0.660 45.0-123.1 -79.0 120.3 -30.7 -12.3 -0.9 584 5 D P - 0 0 48 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.373 29.8-105.8 -62.3 151.1 -29.5 -15.9 -0.5 585 6 D S - 0 0 114 1,-0.1 -3,-0.0 2,-0.0 0, 0.0 -0.422 43.6 -96.8 -69.1 152.2 -29.1 -16.9 3.2 586 7 D L - 0 0 30 1,-0.1 -1,-0.1 -2,-0.1 4,-0.1 -0.500 28.0-129.5 -69.6 137.8 -25.4 -17.1 4.2 587 8 D P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.525 86.6 23.9 -66.6 -0.9 -24.2 -20.8 4.0 588 9 D Y S S- 0 0 29 72,-0.1 5,-0.1 73,-0.0 -2,-0.1 -0.966 99.4 -70.3-155.3 167.7 -22.8 -20.6 7.6 589 10 D A > - 0 0 61 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.163 51.4-109.3 -58.9 156.3 -23.1 -18.7 10.9 590 11 D I T 3 S+ 0 0 77 1,-0.3 3,-0.2 2,-0.1 12,-0.2 0.688 120.5 40.5 -65.7 -21.2 -21.8 -15.1 10.9 591 12 D D T > S+ 0 0 91 1,-0.1 3,-1.4 2,-0.1 -1,-0.3 0.281 85.5 102.4-107.6 9.1 -18.9 -15.9 13.0 592 13 D A T < S+ 0 0 26 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.724 82.0 48.2 -68.3 -18.4 -18.2 -19.2 11.2 593 14 D L T >> S+ 0 0 1 -4,-0.3 4,-1.8 4,-0.2 3,-1.5 0.409 91.3 156.7-101.4 1.1 -15.3 -17.7 9.2 594 15 D E T <4 + 0 0 87 -3,-1.4 4,-0.1 1,-0.3 -3,-0.0 -0.394 56.8 21.2 -62.0 147.2 -13.6 -16.1 12.2 595 16 D P T 34 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.943 127.2 50.5 -93.3 13.4 -10.7 -15.3 12.6 596 17 D H T <4 S+ 0 0 54 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.905 127.2 14.8 -75.7 -41.9 -10.1 -15.2 8.8 597 18 D I S < S- 0 0 3 -4,-1.8 -1,-0.3 159,-0.1 -4,-0.2 -0.975 92.0-125.1-136.7 119.0 -13.1 -13.1 7.9 598 19 D S > - 0 0 15 -2,-0.4 4,-1.8 -3,-0.2 5,-0.2 -0.166 14.2-120.2 -64.4 152.2 -14.8 -11.2 10.7 599 20 D K H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.825 116.1 54.4 -58.4 -33.4 -18.4 -11.4 11.8 600 21 D E H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.940 104.5 51.1 -71.6 -42.4 -18.5 -7.6 11.1 601 22 D T H > S+ 0 0 1 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.875 111.1 50.5 -58.6 -35.2 -17.2 -7.9 7.6 602 23 D L H X>S+ 0 0 1 -4,-1.8 4,-2.6 -12,-0.2 5,-1.4 0.911 107.4 53.4 -70.4 -40.9 -19.9 -10.5 6.9 603 24 D E H <>S+ 0 0 82 -4,-2.0 5,-0.6 3,-0.2 4,-0.3 0.950 119.4 33.8 -60.5 -47.3 -22.6 -8.3 8.3 604 25 D F H X>S+ 0 0 33 -4,-2.6 5,-2.7 3,-0.2 4,-1.8 0.980 124.1 43.4 -73.0 -49.3 -21.6 -5.4 6.0 605 26 D H H <>S+ 0 0 2 -4,-3.2 5,-2.4 -5,-0.3 -3,-0.2 0.938 132.1 20.1 -62.6 -51.0 -20.5 -7.5 3.0 606 27 D H T <>S+ 0 0 25 -4,-2.6 5,-1.2 -5,-0.3 -3,-0.2 0.955 129.1 45.9 -83.8 -50.0 -23.4 -10.0 3.0 607 28 D G T 4X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 3,-0.7 0.889 111.1 51.4 -70.8 -36.0 -31.8 -5.1 -9.5 618 39 D N H 3< S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.724 110.4 50.4 -69.7 -21.5 -35.3 -5.6 -8.2 619 40 D G H 3< S+ 0 0 59 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.604 112.1 46.9 -93.0 -11.3 -35.9 -1.9 -8.6 620 41 D L H << S+ 0 0 77 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.1 0.651 105.1 55.5-102.7 -20.9 -34.7 -1.9 -12.2 621 42 D I >< + 0 0 7 -4,-1.4 3,-0.8 5,-0.1 6,-0.5 0.670 67.8 120.8 -90.0 -17.5 -36.4 -4.9 -13.7 622 43 D P T 3 S- 0 0 75 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.252 92.3 -1.3 -53.2 130.9 -40.1 -4.2 -13.0 623 44 D G T 3 S+ 0 0 68 1,-0.2 2,-0.3 2,-0.1 3,-0.0 0.944 110.4 113.2 54.6 56.0 -41.9 -4.0 -16.4 624 45 D T S X S- 0 0 58 -3,-0.8 3,-1.9 1,-0.0 4,-0.3 -0.947 86.7 -91.2-147.0 163.2 -38.8 -4.7 -18.6 625 46 D K G > S+ 0 0 131 -2,-0.3 3,-0.7 1,-0.3 4,-0.3 0.849 124.6 53.9 -44.4 -37.2 -37.5 -7.5 -20.8 626 47 D F G > S+ 0 0 36 1,-0.2 3,-1.0 2,-0.2 -1,-0.3 0.603 74.8 94.8 -77.4 -16.5 -35.8 -8.9 -17.7 627 48 D E G < S+ 0 0 105 -3,-1.9 -1,-0.2 -6,-0.5 -2,-0.1 0.720 97.3 37.1 -49.9 -25.5 -38.8 -9.2 -15.4 628 49 D N G < S+ 0 0 144 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.632 97.5 101.9-101.3 -19.6 -39.2 -12.8 -16.4 629 50 D K S < S- 0 0 52 -3,-1.0 2,-0.2 -4,-0.3 -3,-0.0 -0.153 71.5-115.6 -66.7 159.1 -35.6 -13.8 -16.9 630 51 D S > - 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