==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-SEP-08 2JLC . COMPND 2 MOLECULE: 2-SUCCINYL-5-ENOLPYRUVYL-6-HYDROXY-3-CYCLOHEXENE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.DAWSON,P.K.FYFE,W.N.HUNTER . 1110 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 757 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 13.8 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 . 100 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 326 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.3 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 10 2 4 7 0 6 2 2 2 4 3 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 7 6 8 4 2 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 2 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 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 M 0 0 204 0, 0.0 2,-0.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -65.9 69.6 -4.4 -5.8 2 2 A S > - 0 0 37 1,-0.1 4,-1.9 2,-0.1 5,-0.1 -0.310 360.0-168.2 -64.3 114.6 67.7 -6.2 -8.6 3 3 A V H > S+ 0 0 63 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.915 86.0 59.0 -65.0 -47.1 64.0 -5.5 -8.7 4 4 A S H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 108.2 45.1 -42.0 -57.2 63.3 -8.3 -11.2 5 5 A A H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.940 113.5 47.8 -59.4 -49.9 64.8 -10.9 -8.9 6 6 A F H X S+ 0 0 13 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.871 108.2 56.5 -65.1 -36.2 63.0 -9.7 -5.7 7 7 A N H X S+ 0 0 5 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.935 112.4 42.3 -51.8 -51.0 59.7 -9.6 -7.7 8 8 A R H X S+ 0 0 51 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 114.1 50.6 -65.0 -43.2 60.3 -13.3 -8.5 9 9 A R H X S+ 0 0 32 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.910 112.3 48.2 -58.2 -45.1 61.5 -14.1 -4.9 10 10 A W H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.910 112.4 47.3 -62.9 -45.2 58.4 -12.4 -3.5 11 11 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.849 106.7 58.3 -66.2 -35.7 56.0 -14.2 -5.9 12 12 A A H X S+ 0 0 27 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.873 103.6 52.3 -65.0 -37.2 57.6 -17.6 -5.2 13 13 A V H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.973 108.8 50.4 -62.0 -50.6 56.8 -17.2 -1.5 14 14 A I H X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.907 115.9 42.1 -48.5 -47.1 53.2 -16.4 -2.3 15 15 A L H X S+ 0 0 1 -4,-2.3 4,-0.9 2,-0.2 3,-0.3 0.917 113.1 49.7 -76.8 -42.3 53.0 -19.6 -4.5 16 16 A E H >X S+ 0 0 31 -4,-2.9 3,-2.3 1,-0.2 4,-0.7 0.982 105.5 60.2 -54.3 -58.2 54.9 -21.9 -2.2 17 17 A A H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.819 101.0 55.1 -30.0 -48.9 52.6 -20.8 0.6 18 18 A L H ><>S+ 0 0 0 -4,-1.1 3,-1.4 -3,-0.3 5,-1.4 0.742 92.4 68.8 -72.0 -24.5 49.6 -22.0 -1.4 19 19 A T H X<5S+ 0 0 40 -3,-2.3 3,-0.9 -4,-0.9 -1,-0.3 0.758 94.9 61.3 -54.9 -26.9 51.0 -25.6 -1.7 20 20 A R T <<5S+ 0 0 24 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.538 97.8 53.5 -87.9 -8.3 50.4 -25.9 2.0 21 21 A H T < 5S- 0 0 38 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.138 125.0 -90.1-115.2 17.8 46.7 -25.4 1.9 22 22 A G T < 5S+ 0 0 39 -3,-0.9 2,-0.6 1,-0.3 -3,-0.2 0.569 70.1 154.6 93.1 12.9 45.9 -28.1 -0.6 23 23 A V < + 0 0 3 -5,-1.4 -1,-0.3 1,-0.2 50,-0.2 -0.644 1.7 153.2 -78.5 116.5 46.2 -26.2 -3.9 24 24 A R + 0 0 108 48,-0.7 24,-3.0 -2,-0.6 2,-0.3 0.703 57.0 61.3-109.2 -40.3 47.0 -28.6 -6.7 25 25 A H E +a 48 0A 4 47,-0.4 49,-3.0 22,-0.2 2,-0.4 -0.735 55.1 177.2 -95.3 139.9 45.5 -26.8 -9.7 26 26 A I E -ab 49 74A 0 22,-1.8 24,-2.3 -2,-0.3 2,-0.4 -0.980 13.7-155.5-140.8 127.2 46.5 -23.3 -11.0 27 27 A C E -ab 50 75A 0 47,-2.6 49,-2.7 -2,-0.4 2,-0.4 -0.900 14.2-166.1-104.3 134.1 45.0 -21.8 -14.1 28 28 A I E -ab 51 76A 0 22,-3.1 24,-1.3 -2,-0.4 49,-0.2 -0.975 11.4-163.2-129.0 131.7 47.0 -19.1 -15.9 29 29 A A - 0 0 0 47,-2.5 24,-0.2 -2,-0.4 5,-0.1 -0.795 39.1 -92.4-107.3 154.8 46.1 -16.5 -18.5 30 30 A P + 0 0 15 0, 0.0 48,-0.4 0, 0.0 2,-0.3 -0.273 61.0 123.9 -72.4 153.7 48.8 -14.8 -20.6 31 31 A G - 0 0 5 1013,-0.3 7,-0.1 46,-0.1 1013,-0.0 -0.930 55.0-125.8 172.8 165.6 50.4 -11.5 -19.6 32 32 A S S > S+ 0 0 30 -2,-0.3 3,-1.4 2,-0.1 -1,-0.1 0.819 104.7 52.7 -95.2 -44.1 53.5 -9.4 -18.9 33 33 A R T 3 S+ 0 0 9 1,-0.3 4,-0.2 2,-0.1 73,-0.2 0.881 105.0 57.5 -62.6 -38.1 52.6 -7.9 -15.4 34 34 A S T >> S+ 0 0 0 1,-0.2 4,-2.7 71,-0.1 3,-0.6 0.566 74.8 109.8 -65.3 -11.7 51.8 -11.4 -14.1 35 35 A T H <> S+ 0 0 0 -3,-1.4 4,-2.9 1,-0.2 5,-0.4 0.803 74.7 50.8 -31.9 -57.9 55.4 -12.6 -15.0 36 36 A P H 3> S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.936 118.2 39.0 -46.4 -56.3 56.6 -12.8 -11.3 37 37 A L H <> S+ 0 0 0 -3,-0.6 4,-1.6 -4,-0.2 -2,-0.2 0.877 117.3 48.2 -61.7 -49.6 53.5 -15.0 -10.4 38 38 A T H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.849 112.5 48.1 -63.7 -40.9 53.4 -17.1 -13.6 39 39 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 -5,-0.3 -2,-0.2 0.940 111.4 50.2 -67.1 -45.2 57.2 -17.9 -13.6 40 40 A A H X S+ 0 0 8 -4,-2.0 4,-0.9 -5,-0.4 -2,-0.2 0.849 113.9 46.2 -59.7 -34.7 57.0 -18.9 -9.9 41 41 A A H < S+ 0 0 0 -4,-1.6 6,-0.2 2,-0.2 -1,-0.2 0.843 109.0 54.4 -78.0 -35.3 54.0 -21.1 -10.8 42 42 A A H < S+ 0 0 20 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.945 108.2 50.5 -59.5 -46.4 55.8 -22.6 -13.8 43 43 A E H < S+ 0 0 121 -4,-2.6 2,-0.8 -5,-0.1 -1,-0.2 0.802 91.9 88.5 -61.6 -31.0 58.7 -23.6 -11.7 44 44 A N >< - 0 0 28 -4,-0.9 3,-1.6 -5,-0.2 -1,-0.1 -0.580 54.4-169.3 -88.5 105.1 56.6 -25.3 -9.0 45 45 A S T 3 S+ 0 0 120 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.421 76.0 85.0 -72.7 3.9 56.0 -29.0 -9.8 46 46 A A T 3 S+ 0 0 38 -5,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.615 85.6 70.8 -75.3 -13.3 53.4 -29.0 -7.0 47 47 A F S < S- 0 0 10 -3,-1.6 2,-0.5 -6,-0.2 -22,-0.2 -0.802 72.3-140.4-108.2 142.9 50.8 -27.7 -9.4 48 48 A I E -a 25 0A 77 -24,-3.0 -22,-1.8 -2,-0.3 2,-0.4 -0.874 36.7-140.1 -84.0 132.6 49.0 -29.1 -12.4 49 49 A H E -a 26 0A 28 -2,-0.5 2,-0.4 -24,-0.2 -22,-0.2 -0.854 21.4-175.4-104.4 131.4 49.0 -26.0 -14.8 50 50 A H E -a 27 0A 11 -24,-2.3 -22,-3.1 -2,-0.4 2,-0.3 -0.960 7.3-165.3-121.0 142.1 46.0 -25.1 -17.0 51 51 A T E +a 28 0A 33 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.912 14.6 160.5-127.2 155.8 46.0 -22.3 -19.5 52 52 A H - 0 0 1 -24,-1.3 6,-0.1 -2,-0.3 398,-0.0 -0.924 35.4-138.6-167.6 149.7 43.5 -20.2 -21.5 53 53 A F S S+ 0 0 1 -2,-0.3 2,-0.8 -24,-0.2 -24,-0.1 0.679 87.6 75.2 -82.6 -22.4 43.3 -16.9 -23.4 54 54 A D > - 0 0 0 1,-0.2 4,-2.6 395,-0.1 5,-0.2 -0.814 65.2-160.5-100.0 109.2 39.8 -15.9 -22.1 55 55 A E H > S+ 0 0 12 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.833 91.8 53.2 -62.7 -29.4 40.0 -14.7 -18.5 56 56 A R H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.949 112.2 44.8 -68.7 -48.2 36.3 -15.2 -18.0 57 57 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.844 109.9 56.5 -56.5 -36.6 36.6 -18.8 -19.2 58 58 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.910 104.9 52.2 -66.2 -43.0 39.7 -19.3 -17.1 59 59 A G H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.854 113.1 43.9 -53.1 -40.8 37.7 -18.3 -14.0 60 60 A H H X S+ 0 0 5 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.808 108.5 57.0 -83.2 -28.6 35.1 -20.9 -14.8 61 61 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.983 110.7 45.0 -56.3 -56.4 37.7 -23.5 -15.7 62 62 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.878 111.5 53.7 -50.5 -43.4 39.0 -23.0 -12.1 63 63 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.937 109.0 48.1 -60.3 -49.3 35.5 -23.1 -10.8 64 64 A G H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 5,-0.2 0.932 111.0 49.9 -55.2 -52.4 34.9 -26.4 -12.6 65 65 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 6,-0.3 0.839 115.0 44.6 -54.6 -39.9 38.2 -27.9 -11.1 66 66 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.897 104.7 62.2 -72.5 -44.2 37.2 -26.8 -7.6 67 67 A K H < S+ 0 0 10 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.787 116.7 29.2 -51.6 -37.0 33.6 -27.9 -7.8 68 68 A V H < S+ 0 0 22 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.859 122.8 44.4 -99.1 -47.9 34.7 -31.6 -8.2 69 69 A S H < S- 0 0 30 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.701 88.2-145.1 -70.7 -21.9 38.0 -31.9 -6.4 70 70 A K < + 0 0 150 -4,-2.3 -4,-0.1 1,-0.2 -3,-0.1 0.761 62.9 117.5 55.0 23.3 36.7 -29.9 -3.4 71 71 A Q S S- 0 0 46 -6,-0.3 28,-0.4 -5,-0.2 2,-0.3 -0.752 77.9 -95.3-100.2 160.3 40.3 -28.5 -3.1 72 72 A P - 0 0 13 0, 0.0 -48,-0.7 0, 0.0 -47,-0.4 -0.618 39.2-152.8 -68.9 143.3 41.1 -24.8 -3.6 73 73 A V E - c 0 100A 0 26,-2.4 28,-2.4 -2,-0.3 -47,-0.2 -0.972 6.8-136.8-124.0 129.6 42.2 -24.0 -7.1 74 74 A A E -bc 26 101A 0 -49,-3.0 -47,-2.6 -2,-0.4 2,-0.3 -0.533 14.2-163.8 -90.6 153.6 44.6 -21.1 -7.9 75 75 A V E -bc 27 102A 0 26,-2.9 28,-2.3 -49,-0.2 2,-0.4 -0.995 3.2-165.9-133.4 137.5 44.3 -18.5 -10.7 76 76 A I E +bc 28 103A 0 -49,-2.7 -47,-2.5 -2,-0.3 2,-0.3 -0.994 16.4 160.2-125.3 130.8 46.8 -16.0 -12.3 77 77 A V E - c 0 104A 0 26,-1.4 28,-2.3 -2,-0.4 -46,-0.1 -0.941 36.0-112.2-135.5 160.2 45.9 -13.1 -14.6 78 78 A T - 0 0 10 -48,-0.4 5,-0.3 -2,-0.3 -47,-0.0 -0.310 50.8 -75.6 -80.9 172.5 47.7 -9.9 -15.6 79 79 A S S > S+ 0 0 1 3,-0.1 3,-0.5 -2,-0.1 2,-0.2 -0.080 91.3 35.5 -63.6 164.2 46.5 -6.4 -14.6 80 80 A G T >> S- 0 0 0 25,-0.2 3,-1.2 1,-0.2 4,-1.0 -0.623 117.8 -13.5 103.2-152.1 43.5 -4.8 -16.2 81 81 A T H 3> S+ 0 0 7 890,-0.3 4,-2.1 1,-0.3 -1,-0.2 0.684 120.3 77.4 -70.7 -18.8 40.2 -6.1 -17.6 82 82 A A H <4 S+ 0 0 6 -3,-0.5 4,-0.3 2,-0.2 -1,-0.3 0.915 97.2 45.8 -45.5 -45.7 41.7 -9.6 -17.3 83 83 A V H X4 S+ 0 0 0 -3,-1.2 3,-2.5 -5,-0.3 4,-0.3 0.937 108.2 55.2 -69.8 -45.0 41.0 -9.3 -13.6 84 84 A A H >< S+ 0 0 1 -4,-1.0 3,-1.4 1,-0.3 -1,-0.2 0.794 96.6 66.1 -61.1 -30.8 37.5 -8.0 -14.1 85 85 A N T 3< S+ 0 0 5 -4,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.653 89.9 65.9 -65.0 -13.2 36.8 -11.0 -16.3 86 86 A L T <> S+ 0 0 1 -3,-2.5 4,-2.1 -4,-0.3 3,-0.5 0.610 77.2 91.8 -80.5 -11.0 37.1 -13.2 -13.1 87 87 A Y H <> S+ 0 0 0 -3,-1.4 4,-2.2 -4,-0.3 5,-0.2 0.866 78.0 53.5 -59.0 -50.2 34.1 -11.6 -11.6 88 88 A P H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.897 113.3 44.0 -53.3 -39.3 31.4 -14.1 -12.8 89 89 A A H > S+ 0 0 2 -3,-0.5 4,-2.9 -4,-0.3 -2,-0.2 0.869 111.8 52.2 -73.2 -39.1 33.3 -17.1 -11.4 90 90 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 73,-0.4 0.924 109.2 50.8 -59.8 -43.4 34.1 -15.5 -8.1 91 91 A I H X S+ 0 0 1 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.867 110.7 47.7 -66.1 -37.9 30.5 -14.6 -7.6 92 92 A E H X S+ 0 0 2 -4,-1.4 4,-2.1 -5,-0.2 3,-0.3 0.917 112.5 50.3 -72.9 -42.4 29.4 -18.2 -8.3 93 93 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.906 105.7 56.5 -49.3 -51.4 32.1 -19.4 -5.9 94 94 A G H < S+ 0 0 38 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.813 113.5 41.7 -55.7 -31.8 30.9 -17.0 -3.3 95 95 A L H < S+ 0 0 60 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.865 126.6 25.8 -85.1 -38.7 27.4 -18.6 -3.6 96 96 A T H < S- 0 0 18 -4,-2.1 -2,-0.2 2,-0.1 -3,-0.2 0.407 105.9-107.2-114.3 -7.8 28.2 -22.3 -3.8 97 97 A G < + 0 0 17 -4,-2.8 65,-1.9 1,-0.3 -4,-0.1 0.091 56.7 151.9 112.3 -23.6 31.5 -22.7 -2.0 98 98 A E - 0 0 18 63,-0.2 2,-1.1 -6,-0.2 -1,-0.3 -0.114 45.6-128.6 -46.3 134.9 34.3 -23.4 -4.5 99 99 A K + 0 0 61 -28,-0.4 -26,-2.4 62,-0.1 2,-0.5 -0.750 33.1 178.7 -95.0 99.9 37.6 -22.1 -3.2 100 100 A L E -c 73 0A 0 -2,-1.1 64,-2.7 -28,-0.2 2,-0.7 -0.886 15.4-157.3-104.8 127.7 39.0 -19.9 -5.9 101 101 A I E -cd 74 164A 0 -28,-2.4 -26,-2.9 -2,-0.5 2,-1.1 -0.893 9.0-162.1-111.9 103.9 42.4 -18.2 -5.2 102 102 A L E -cd 75 165A 2 62,-2.8 64,-2.3 -2,-0.7 2,-1.1 -0.686 10.0-175.6-100.5 90.1 42.7 -15.1 -7.5 103 103 A L E -cd 76 166A 0 -28,-2.3 -26,-1.4 -2,-1.1 2,-0.6 -0.721 15.6-176.4 -81.6 103.7 46.3 -13.9 -7.7 104 104 A T E -cd 77 167A 0 62,-2.1 64,-2.2 -2,-1.1 -26,-0.2 -0.912 19.0-133.9-113.1 112.2 45.8 -10.8 -9.8 105 105 A A E - d 0 168A 0 -28,-2.3 2,-0.3 -2,-0.6 -25,-0.2 -0.187 27.1-177.9 -56.7 150.9 48.8 -8.8 -10.9 106 106 A D E - d 0 169A 7 62,-1.5 64,-2.2 -73,-0.2 13,-0.1 -0.977 29.8-106.3-146.5 156.3 48.8 -5.1 -10.6 107 107 A R - 0 0 31 -2,-0.3 64,-0.2 62,-0.2 5,-0.0 -0.387 53.0 -89.8 -70.7 163.2 51.0 -2.1 -11.3 108 108 A P > - 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0 0 0 47,-3.1 24,-0.2 -2,-0.4 9,-0.1 -0.710 36.6 -98.5 -98.8 158.4 20.6 -8.5 -23.0 586 30 B P + 0 0 12 0, 0.0 48,-0.6 0, 0.0 2,-0.3 -0.283 59.3 115.5 -75.7 163.2 17.8 -11.1 -22.3 587 31 B G - 0 0 6 -100,-0.2 -116,-0.0 46,-0.1 4,-0.0 -0.911 56.7-116.3 158.9 177.0 16.4 -12.1 -18.9 588 32 B S S > S+ 0 0 27 -2,-0.3 3,-1.6 2,-0.1 -1,-0.1 0.804 104.2 56.6-107.7 -37.9 13.2 -12.1 -16.8 589 33 B R T 3 S+ 0 0 11 1,-0.3 73,-0.2 2,-0.1 4,-0.2 0.776 103.0 59.0 -74.3 -21.6 13.9 -9.8 -14.0 590 34 B S T >> S+ 0 0 1 1,-0.2 4,-2.3 71,-0.1 3,-1.1 0.536 73.7 111.3 -83.4 -8.5 14.8 -7.0 -16.4 591 35 B T H <> S+ 0 0 0 -3,-1.6 4,-3.1 1,-0.3 5,-0.4 0.791 71.6 53.0 -30.7 -56.0 11.3 -7.2 -17.9 592 36 B P H 3> S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.923 115.4 40.5 -59.0 -40.7 10.0 -3.9 -16.6 593 37 B L H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.922 117.5 47.9 -67.6 -44.6 13.1 -2.0 -18.1 594 38 B T H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -3,-0.2 0.892 111.9 48.5 -69.1 -44.1 13.1 -4.0 -21.3 595 39 B L H X S+ 0 0 5 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.889 112.6 50.4 -56.9 -41.8 9.3 -3.5 -21.9 596 40 B A H X S+ 0 0 8 -4,-1.7 4,-1.8 -5,-0.4 -2,-0.2 0.893 112.2 46.7 -66.2 -41.3 9.8 0.2 -21.2 597 41 B A H < S+ 0 0 0 -4,-2.6 6,-0.2 2,-0.2 -2,-0.2 0.906 111.6 50.9 -62.2 -46.8 12.7 0.4 -23.7 598 42 B A H < S+ 0 0 22 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.886 112.8 46.7 -61.0 -41.3 10.7 -1.6 -26.4 599 43 B E H < S+ 0 0 110 -4,-2.2 2,-0.6 -5,-0.2 -1,-0.2 0.858 92.0 92.1 -67.6 -37.4 7.7 0.8 -26.0 600 44 B N >< - 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0 0 15 -69,-1.7 2,-0.4 -2,-0.4 -169,-0.1 -0.875 47.8 -82.9-138.5 164.5 52.1 -15.1 -41.2 1094 538 B N >> - 0 0 113 -2,-0.3 3,-1.6 1,-0.1 4,-0.5 -0.631 49.6-123.7 -73.1 126.2 55.2 -16.6 -39.6 1095 539 B D T 34 S+ 0 0 66 -2,-0.4 4,-0.3 1,-0.3 3,-0.2 0.720 101.1 32.3 -45.4 -41.7 54.7 -16.1 -35.9 1096 540 B T T 3> S+ 0 0 43 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.519 91.6 94.2 -97.8 -4.8 57.8 -14.2 -34.9 1097 541 B D H <> S+ 0 0 61 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.882 86.8 46.6 -53.3 -45.6 58.4 -12.3 -38.2 1098 542 B G H X S+ 0 0 0 -4,-0.5 4,-1.8 -3,-0.2 -1,-0.2 0.939 112.1 48.4 -66.6 -49.7 56.6 -9.1 -37.1 1099 543 B A H > S+ 0 0 1 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.823 114.9 46.7 -59.0 -35.3 58.2 -8.8 -33.7 1100 544 B Q H X S+ 0 0 83 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.913 105.0 57.4 -76.8 -43.8 61.7 -9.3 -35.2 1101 545 B T H X S+ 0 0 12 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.894 109.2 49.0 -51.2 -41.0 61.3 -6.9 -38.0 1102 546 B L H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.939 110.5 48.2 -66.4 -47.3 60.6 -4.3 -35.4 1103 547 B Q H X S+ 0 0 87 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.928 115.1 46.9 -57.3 -46.0 63.6 -5.2 -33.2 1104 548 B Q H X S+ 0 0 85 -4,-3.1 4,-3.0 2,-0.2 -2,-0.2 0.930 113.9 45.6 -61.4 -52.0 65.8 -5.1 -36.4 1105 549 B L H X S+ 0 0 2 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.878 110.9 55.6 -58.8 -38.8 64.4 -1.8 -37.7 1106 550 B L H X S+ 0 0 37 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.957 112.3 41.2 -56.3 -55.3 64.8 -0.4 -34.1 1107 551 B A H < S+ 0 0 48 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.890 115.0 52.4 -60.6 -44.7 68.5 -1.2 -34.0 1108 552 B Q H >< S+ 0 0 87 -4,-3.0 3,-1.3 1,-0.2 4,-0.4 0.931 111.5 44.3 -57.8 -50.9 69.0 -0.1 -37.6 1109 553 B V H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.843 104.7 64.4 -65.7 -35.0 67.4 3.4 -37.1 1110 554 B S T 3< S+ 0 0 39 -4,-1.9 -284,-0.4 -5,-0.3 -1,-0.3 0.583 100.0 55.1 -64.8 -11.1 69.3 3.8 -33.8 1111 555 B H T < 0 0 151 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.664 360.0 360.0 -95.4 -17.4 72.6 3.8 -35.8 1112 556 B L < 0 0 69 -3,-1.1 -1,-0.1 -4,-0.4 -2,-0.1 0.577 360.0 360.0 -66.5 360.0 72.0 6.6 -38.3