==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-AUG-12 4B5W . COMPND 2 MOLECULE: 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI ATCC 8739; . AUTHOR M.COINCON,W.WANG,S.Y.K.SEAH,J.SYGUSCH . 1523 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1152 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 241 15.8 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 . 114 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 185 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 517 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 45 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 11 7 0 7 11 12 6 6 0 0 1 5 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 6 23 13 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 6 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 79 0, 0.0 2,-0.1 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 15.7 26.4 70.2 67.5 2 2 A E - 0 0 165 1,-0.1 2,-0.9 2,-0.0 139,-0.1 -0.455 360.0-119.5 -72.5 143.7 28.5 67.6 69.3 3 3 A N > - 0 0 5 1,-0.2 4,-1.9 -2,-0.1 5,-0.1 -0.748 26.7-172.4 -88.6 106.1 28.5 64.3 67.5 4 4 A S H > S+ 0 0 57 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.832 83.4 54.5 -75.3 -30.9 27.1 61.8 69.9 5 5 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 108.9 49.4 -64.3 -43.2 27.9 58.7 67.8 6 6 A K H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.911 110.7 50.3 -62.1 -43.1 31.5 59.8 67.7 7 7 A A H X S+ 0 0 57 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.899 108.7 51.9 -64.2 -39.2 31.6 60.2 71.4 8 8 A A H <>S+ 0 0 13 -4,-2.1 5,-2.5 2,-0.2 4,-0.4 0.911 110.3 48.2 -63.9 -44.5 30.1 56.8 72.0 9 9 A L H ><5S+ 0 0 12 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.908 109.5 52.8 -60.3 -42.6 32.7 55.1 69.8 10 10 A K H 3<5S+ 0 0 194 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.872 109.2 50.0 -62.1 -35.9 35.5 57.0 71.6 11 11 A A T 3<5S- 0 0 71 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.504 117.0-114.7 -80.7 -5.7 34.1 55.7 74.9 12 12 A G T < 5 + 0 0 39 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.732 61.9 151.9 79.5 23.4 34.0 52.1 73.6 13 13 A R < - 0 0 167 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.785 47.4-121.1 -91.1 119.2 30.2 51.8 73.7 14 14 A P - 0 0 75 0, 0.0 2,-0.5 0, 0.0 215,-0.2 -0.322 25.1-154.6 -61.7 139.5 28.9 49.3 71.1 15 15 A Q E -a 229 0A 23 213,-2.5 215,-2.0 22,-0.0 2,-0.4 -0.975 2.2-149.1-122.5 123.3 26.4 50.8 68.7 16 16 A I E -a 230 0A 15 -2,-0.5 21,-2.0 213,-0.2 22,-1.7 -0.782 24.2-170.7 -97.4 129.1 23.8 48.7 67.0 17 17 A G E -ab 231 38A 0 213,-2.5 215,-2.5 -2,-0.4 216,-0.4 -0.784 22.9-148.1-124.7 158.7 22.7 49.9 63.5 18 18 A L E - b 0 39A 0 20,-1.9 22,-2.4 -2,-0.3 2,-0.4 -0.986 23.5-129.6-123.9 140.4 20.3 49.4 60.7 19 19 A W E -ab 234 40A 14 214,-2.5 216,-2.9 -2,-0.4 2,-0.7 -0.735 18.6-150.9 -89.5 129.0 21.1 50.0 57.0 20 20 A L E + b 0 41A 2 20,-3.2 22,-2.0 -2,-0.4 26,-0.1 -0.895 36.1 146.1-108.6 110.3 18.6 52.2 55.1 21 21 A G + 0 0 0 -2,-0.7 -1,-0.1 20,-0.1 20,-0.1 0.339 49.3 93.8-118.5 3.0 18.3 51.6 51.4 22 22 A L S S- 0 0 4 2,-0.1 769,-0.2 24,-0.1 768,-0.1 0.638 77.7-146.1 -75.7 -11.9 14.6 52.4 51.0 23 23 A S + 0 0 25 1,-0.2 2,-0.4 767,-0.1 -1,-0.1 0.831 54.8 122.9 55.5 38.3 15.6 56.0 50.0 24 24 A S > - 0 0 22 1,-0.1 4,-1.8 764,-0.0 -1,-0.2 -0.997 59.9-150.0-134.8 131.6 12.5 57.5 51.6 25 25 A S H > S+ 0 0 27 -2,-0.4 4,-1.6 2,-0.2 5,-0.1 0.746 101.0 57.9 -68.2 -22.0 12.2 60.1 54.3 26 26 A Y H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.975 109.6 38.1 -74.4 -54.1 9.0 58.4 55.4 27 27 A S H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.826 111.3 63.2 -66.8 -27.9 10.3 55.0 56.1 28 28 A A H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.929 105.5 45.0 -59.3 -43.8 13.4 56.7 57.5 29 29 A E H X S+ 0 0 2 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.944 111.1 53.0 -66.2 -44.2 11.2 58.2 60.2 30 30 A L H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.929 114.6 41.8 -55.3 -45.7 9.4 54.9 60.8 31 31 A L H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 5,-0.5 0.754 101.8 69.3 -74.7 -25.7 12.7 53.1 61.3 32 32 A A H 3< S+ 0 0 1 -4,-1.8 33,-0.6 1,-0.3 3,-0.4 0.706 99.5 51.3 -64.6 -22.5 14.3 56.0 63.4 33 33 A G T << S+ 0 0 25 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.315 85.4 89.3 -93.3 7.4 11.8 55.1 66.2 34 34 A A S < S- 0 0 9 -3,-1.6 -1,-0.2 1,-0.0 977,-0.2 0.538 104.7-100.7 -91.4 -6.7 12.6 51.4 66.3 35 35 A G + 0 0 53 -3,-0.4 2,-0.2 1,-0.3 -3,-0.1 0.566 67.1 146.7 104.1 11.2 15.4 51.6 68.8 36 36 A F - 0 0 4 -5,-0.5 -1,-0.3 1,-0.1 -19,-0.2 -0.488 47.0-140.8 -76.6 148.5 18.7 51.5 66.9 37 37 A D S S+ 0 0 60 -21,-2.0 29,-2.6 1,-0.2 2,-0.3 0.835 85.8 13.3 -71.6 -35.3 21.7 53.4 68.0 38 38 A W E -bc 17 66A 0 -22,-1.7 -20,-1.9 27,-0.2 2,-0.4 -0.982 59.5-154.5-145.7 154.2 22.5 54.3 64.4 39 39 A L E -bc 18 67A 0 27,-2.4 29,-2.7 -2,-0.3 2,-0.7 -0.997 15.0-143.7-128.0 133.3 21.1 54.4 60.9 40 40 A L E -bc 19 68A 0 -22,-2.4 -20,-3.2 -2,-0.4 2,-0.8 -0.872 4.3-156.8-102.5 112.9 23.1 54.2 57.7 41 41 A I E -bc 20 69A 0 27,-3.0 29,-2.4 -2,-0.7 2,-0.9 -0.809 21.4-144.1 -85.0 109.3 21.7 56.3 54.8 42 42 A D E > + c 0 70A 5 -22,-2.0 4,-0.5 -2,-0.8 6,-0.3 -0.649 32.3 167.0 -88.5 106.4 23.3 54.5 51.8 43 43 A G T 4 S+ 0 0 6 27,-2.0 29,-0.2 -2,-0.9 -1,-0.2 0.359 74.3 57.5 -93.3 5.3 24.3 56.9 49.0 44 44 A E T 4 S+ 0 0 6 27,-0.2 -1,-0.1 28,-0.1 28,-0.1 0.843 120.5 15.0-100.4 -45.6 26.4 54.2 47.3 45 45 A H T 4 S+ 0 0 13 330,-0.1 -2,-0.1 296,-0.1 331,-0.1 0.356 115.6 68.4-119.5 2.6 24.0 51.3 46.6 46 46 A A S < S- 0 0 5 -4,-0.5 2,-2.6 -26,-0.1 -24,-0.1 -0.866 96.0 -99.2-118.1 155.4 20.6 52.9 47.1 47 47 A P S S+ 0 0 9 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.317 75.3 133.7 -76.0 62.1 19.0 55.6 44.9 48 48 A N + 0 0 6 -2,-2.6 2,-0.2 -6,-0.3 259,-0.1 -0.720 28.5 176.3-106.5 157.6 19.9 58.5 47.1 49 49 A N > - 0 0 36 -2,-0.3 4,-2.4 258,-0.0 5,-0.2 -0.811 52.5 -79.2-144.5-173.9 21.5 61.9 46.4 50 50 A V H > S+ 0 0 16 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.917 129.0 51.4 -61.0 -39.9 22.3 65.0 48.4 51 51 A Q H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 111.9 44.1 -63.5 -42.9 18.7 66.1 48.4 52 52 A T H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.818 110.4 55.8 -74.7 -29.5 17.3 62.8 49.6 53 53 A V H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.949 106.0 53.5 -61.9 -46.7 20.0 62.5 52.3 54 54 A L H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 109.2 46.4 -52.3 -51.8 18.9 65.9 53.5 55 55 A T H X S+ 0 0 44 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.853 112.3 50.7 -66.2 -32.6 15.2 64.8 53.9 56 56 A Q H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.897 109.0 51.1 -68.2 -39.0 16.2 61.6 55.6 57 57 A L H X S+ 0 0 6 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.903 110.9 49.5 -61.1 -42.1 18.4 63.6 58.1 58 58 A Q H < S+ 0 0 9 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.901 111.1 49.6 -64.4 -40.6 15.4 65.8 58.7 59 59 A A H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.906 115.6 41.4 -62.6 -42.1 13.2 62.8 59.3 60 60 A I H >< S+ 0 0 0 -4,-2.3 3,-2.4 1,-0.2 -1,-0.2 0.767 91.2 94.3 -77.8 -24.9 15.6 61.1 61.7 61 61 A A T 3< S+ 0 0 39 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.707 79.7 49.5 -46.3 -44.0 16.5 64.3 63.6 62 62 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.631 99.9 83.7 -77.8 -7.9 14.0 64.3 66.5 63 63 A Y S < S- 0 0 38 -3,-2.4 -30,-0.1 2,-0.2 -31,-0.0 -0.490 84.2-122.1 -93.4 161.1 14.9 60.7 67.4 64 64 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -31,-0.1 0.763 82.0 104.0 -72.0 -22.8 17.7 59.3 69.5 65 65 A S S S- 0 0 3 -33,-0.6 -27,-0.2 -5,-0.1 -28,-0.2 -0.363 71.1-132.1 -63.3 134.2 19.0 57.2 66.6 66 66 A Q E -c 38 0A 51 -29,-2.6 -27,-2.4 -2,-0.1 2,-0.3 -0.744 13.6-129.5 -98.6 132.0 22.1 58.8 65.0 67 67 A P E -c 39 0A 37 0, 0.0 2,-0.4 0, 0.0 21,-0.3 -0.560 21.9-177.4 -81.1 141.6 22.5 59.2 61.3 68 68 A V E -c 40 0A 0 -29,-2.7 -27,-3.0 -2,-0.3 2,-0.4 -0.980 13.3-150.1-129.5 142.1 25.6 58.0 59.3 69 69 A V E -cd 41 90A 1 20,-2.4 22,-2.7 -2,-0.4 -27,-0.2 -0.953 6.4-154.5-121.0 132.7 25.9 58.6 55.6 70 70 A A E -c 42 0A 0 -29,-2.4 -27,-2.0 -2,-0.4 22,-0.2 -0.932 18.3-149.1 -98.5 112.4 27.8 56.5 53.0 71 71 A P - 0 0 0 0, 0.0 -27,-0.2 0, 0.0 -28,-0.1 -0.346 26.1-112.3 -68.9 166.6 28.8 58.7 50.0 72 72 A S S S- 0 0 7 -29,-0.2 2,-0.3 1,-0.2 -28,-0.1 0.685 93.0 -6.7 -75.7 -15.9 28.9 56.9 46.6 73 73 A W S S- 0 0 102 2,-0.1 2,-2.1 22,-0.0 -1,-0.2 -0.966 84.5 -84.5-166.2 163.6 32.7 57.4 46.5 74 74 A N S S+ 0 0 27 19,-0.3 18,-0.0 -2,-0.3 29,-0.0 -0.578 72.8 148.6 -75.6 75.7 35.6 59.0 48.4 75 75 A D > - 0 0 57 -2,-2.1 4,-2.5 1,-0.1 5,-0.2 -0.972 45.3-150.3-122.5 116.7 35.0 62.3 46.5 76 76 A P H > S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.799 96.0 52.8 -59.7 -32.7 35.7 65.6 48.1 77 77 A V H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.944 112.2 43.2 -69.7 -47.6 33.0 67.5 46.2 78 78 A Q H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.900 113.7 52.7 -60.9 -41.6 30.3 65.1 47.2 79 79 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.933 107.0 52.7 -60.1 -42.8 31.6 64.9 50.7 80 80 A K H X S+ 0 0 10 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.934 111.1 47.3 -56.2 -46.8 31.5 68.7 50.9 81 81 A Q H X S+ 0 0 34 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.883 111.4 49.3 -66.5 -40.9 27.9 68.7 49.8 82 82 A L H <>S+ 0 0 3 -4,-2.5 5,-2.2 1,-0.2 4,-0.3 0.878 111.2 50.5 -65.1 -39.6 26.8 66.0 52.3 83 83 A L H ><5S+ 0 0 1 -4,-2.6 3,-1.3 3,-0.2 -2,-0.2 0.889 105.2 56.3 -67.1 -37.7 28.5 67.8 55.1 84 84 A D H 3<5S+ 0 0 4 -4,-2.1 41,-2.4 1,-0.3 40,-0.6 0.868 102.3 54.7 -67.5 -31.3 26.8 71.1 54.3 85 85 A V T 3<5S- 0 0 5 -4,-1.4 -1,-0.3 39,-0.2 -2,-0.2 0.541 135.2 -87.8 -78.6 -2.6 23.3 69.5 54.5 86 86 A G T < 5S+ 0 0 15 -3,-1.3 -3,-0.2 -4,-0.3 2,-0.2 0.486 72.5 153.4 120.1 6.2 24.4 68.4 58.0 87 87 A T < + 0 0 3 -5,-2.2 -1,-0.3 1,-0.2 3,-0.1 -0.458 7.0 166.8 -64.9 126.6 26.1 65.0 57.8 88 88 A Q + 0 0 54 -21,-0.3 55,-2.8 1,-0.2 2,-0.5 0.517 62.8 52.1-114.8 -13.5 28.6 64.6 60.6 89 89 A T E - e 0 143A 3 -22,-0.3 -20,-2.4 53,-0.2 2,-0.4 -0.989 68.4-170.7-128.3 125.0 29.4 60.9 60.4 90 90 A L E -de 69 144A 2 53,-2.3 55,-2.7 -2,-0.5 2,-0.7 -0.943 18.1-159.9-121.8 137.2 30.6 59.4 57.1 91 91 A L E - e 0 145A 0 -22,-2.7 55,-0.2 -2,-0.4 53,-0.1 -0.855 22.6-157.2-115.8 94.3 31.1 55.8 56.0 92 92 A V E - e 0 146A 0 53,-2.7 55,-2.7 -2,-0.7 3,-0.5 -0.570 9.0-135.8 -85.9 121.5 33.4 56.1 53.0 93 93 A P S S+ 0 0 0 0, 0.0 -19,-0.3 0, 0.0 -1,-0.1 -0.330 72.5 10.2 -75.4 154.9 33.4 53.1 50.6 94 94 A M + 0 0 26 1,-0.2 2,-0.8 -21,-0.1 54,-0.2 0.807 66.0 173.9 56.9 43.3 36.4 51.4 49.0 95 95 A V + 0 0 0 52,-2.0 54,-0.3 -3,-0.5 -1,-0.2 -0.745 3.0 177.7 -81.3 112.4 39.2 53.0 51.0 96 96 A Q + 0 0 46 -2,-0.8 2,-0.3 52,-0.1 60,-0.2 0.645 54.0 1.0 -97.4 -19.3 42.1 51.0 49.7 97 97 A N S > S- 0 0 35 62,-0.1 4,-1.9 58,-0.1 5,-0.1 -0.945 78.7 -88.9-160.5 175.6 45.1 52.6 51.4 98 98 A A H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.796 119.3 59.4 -71.2 -29.1 46.2 55.2 54.0 99 99 A D H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 109.1 45.3 -61.0 -43.2 46.6 57.9 51.3 100 100 A E H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.878 111.0 52.6 -67.5 -38.2 42.9 57.5 50.5 101 101 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.913 109.4 50.0 -61.8 -41.7 42.0 57.4 54.2 102 102 A R H X S+ 0 0 72 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.893 107.9 52.8 -65.4 -38.7 43.9 60.7 54.6 103 103 A E H X S+ 0 0 78 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.860 107.6 52.1 -64.9 -33.2 42.1 62.2 51.7 104 104 A A H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.913 111.1 47.6 -66.3 -43.4 38.7 61.2 53.3 105 105 A V H >< S+ 0 0 6 -4,-2.2 3,-1.7 1,-0.2 4,-0.4 0.955 111.5 49.4 -62.2 -49.0 39.8 62.9 56.5 106 106 A R H >< S+ 0 0 110 -4,-2.9 9,-2.2 1,-0.3 3,-1.0 0.811 102.4 62.6 -62.3 -28.7 40.9 66.1 54.7 107 107 A A H 3< S+ 0 0 2 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.709 105.2 47.9 -69.6 -17.8 37.6 66.3 52.8 108 108 A T T << S+ 0 0 2 -3,-1.7 2,-0.4 -4,-0.6 -1,-0.2 0.477 101.6 78.0-100.9 -2.6 35.8 66.7 56.1 109 109 A R S < S- 0 0 30 -3,-1.0 7,-2.7 -4,-0.4 29,-0.0 -0.891 72.0-129.6-119.1 135.4 38.0 69.4 57.6 110 110 A Y >> - 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0 0 54 1,-0.2 4,-2.1 18,-0.0 3,-0.4 -0.735 67.3-157.3 -79.6 109.6 16.3 62.0 9.1 473 216 B E H > S+ 0 0 39 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.758 88.4 56.4 -65.0 -29.8 14.4 58.8 8.2 474 217 B Q H > S+ 0 0 136 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.886 110.2 45.5 -70.3 -37.8 15.9 58.4 4.8 475 218 B L H > S+ 0 0 24 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.867 109.3 56.4 -70.7 -37.2 19.4 58.5 6.2 476 219 B A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.936 107.6 47.6 -55.2 -48.4 18.4 56.0 8.9 477 220 B K H X S+ 0 0 81 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.893 109.9 53.6 -65.3 -36.9 17.2 53.6 6.3 478 221 B R H X S+ 0 0 106 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.900 109.5 48.0 -60.0 -42.6 20.5 54.1 4.5 479 222 B Y H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.4 0.896 110.1 51.5 -67.0 -40.3 22.5 53.3 7.6 480 223 B L H ><5S+ 0 0 42 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.935 108.7 51.8 -59.2 -45.0 20.4 50.2 8.2 481 224 B E H 3<5S+ 0 0 169 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 104.9 56.9 -63.0 -28.6 21.1 49.1 4.6 482 225 B L T 3<5S- 0 0 68 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.565 131.6 -91.9 -80.6 -6.8 24.8 49.7 5.3 483 226 B G T < 5 + 0 0 14 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.529 68.8 156.0 112.7 8.1 24.6 47.2 8.2 484 227 B A < - 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