==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-AUG-12 4B5V . 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 . 502 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 15.9 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 . 35 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 2 4 0 2 4 4 2 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 8 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 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 2 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 77 0, 0.0 2,-0.2 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 20.0 -28.4 9.7 -12.3 2 2 A E - 0 0 120 1,-0.1 2,-1.1 2,-0.0 3,-0.1 -0.453 360.0-126.5 -68.5 135.7 -29.9 11.0 -9.1 3 3 A N > - 0 0 2 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 -0.725 28.6-179.7 -86.7 98.8 -29.0 9.0 -6.0 4 4 A S H > S+ 0 0 52 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.785 79.6 55.7 -73.6 -27.8 -32.3 8.2 -4.5 5 5 A F H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 109.3 47.7 -67.2 -45.2 -30.8 6.2 -1.6 6 6 A K H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.912 111.4 50.3 -59.6 -46.1 -28.7 9.2 -0.6 7 7 A A H X S+ 0 0 30 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.890 109.3 52.2 -60.3 -41.0 -31.8 11.5 -0.9 8 8 A A H <>S+ 0 0 3 -4,-2.0 5,-2.5 2,-0.2 4,-0.3 0.897 109.1 48.4 -64.8 -42.3 -33.8 9.2 1.3 9 9 A L H ><5S+ 0 0 11 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.928 111.0 51.5 -61.5 -44.8 -31.1 9.2 4.1 10 10 A K H 3<5S+ 0 0 193 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.799 109.8 49.6 -63.5 -29.8 -30.9 12.9 3.9 11 11 A A T 3<5S- 0 0 59 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.415 116.7-114.7 -90.3 0.1 -34.7 13.2 4.3 12 12 A G T < 5 + 0 0 27 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.703 63.7 148.3 75.8 21.3 -34.6 10.8 7.3 13 13 A R < - 0 0 136 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.799 49.6-122.0 -88.8 119.5 -36.6 8.0 5.7 14 14 A P - 0 0 72 0, 0.0 2,-0.5 0, 0.0 215,-0.2 -0.343 22.3-149.1 -63.3 139.3 -35.4 4.7 7.0 15 15 A Q E -a 229 0A 22 213,-3.0 215,-2.2 22,-0.0 2,-0.4 -0.952 2.0-150.7-115.9 120.3 -34.1 2.2 4.4 16 16 A I E -a 230 0A 10 -2,-0.5 21,-2.1 213,-0.2 22,-1.5 -0.776 25.1-172.7 -92.6 131.0 -34.5 -1.5 4.9 17 17 A G E -ab 231 38A 0 213,-2.5 215,-2.4 -2,-0.4 216,-0.4 -0.769 24.4-146.6-127.3 164.0 -31.8 -3.6 3.3 18 18 A L E - b 0 39A 0 20,-1.6 22,-2.4 -2,-0.3 2,-0.4 -0.994 24.1-127.4-128.5 139.6 -30.6 -7.1 2.4 19 19 A W E -ab 234 40A 12 214,-2.6 216,-2.7 -2,-0.4 2,-0.7 -0.693 18.3-150.7 -86.6 132.5 -27.0 -8.3 2.3 20 20 A L E + b 0 41A 1 20,-3.2 22,-1.9 -2,-0.4 26,-0.1 -0.893 37.1 144.1-110.7 107.5 -25.9 -10.0 -1.0 21 21 A G + 0 0 7 -2,-0.7 -1,-0.1 20,-0.1 20,-0.1 0.372 50.0 91.9-116.3 1.1 -23.1 -12.6 -0.6 22 22 A L S S- 0 0 4 2,-0.1 257,-0.2 24,-0.1 256,-0.1 0.624 79.0-146.0 -73.6 -11.9 -24.3 -15.1 -3.2 23 23 A S + 0 0 25 1,-0.2 2,-0.4 255,-0.1 -1,-0.1 0.839 53.2 125.5 55.4 41.1 -22.1 -13.3 -5.8 24 24 A S > - 0 0 22 1,-0.1 4,-1.8 252,-0.0 -1,-0.2 -0.997 58.6-151.0-136.9 131.3 -24.5 -14.0 -8.6 25 25 A S H > S+ 0 0 53 -2,-0.4 4,-1.3 2,-0.2 5,-0.1 0.744 101.4 56.5 -68.0 -22.4 -26.2 -11.7 -11.1 26 26 A Y H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.958 110.4 37.9 -76.9 -54.1 -29.0 -14.2 -11.3 27 27 A S H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.820 111.5 63.7 -67.2 -28.2 -29.9 -14.4 -7.6 28 28 A A H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.918 104.7 44.7 -60.5 -42.9 -29.3 -10.7 -7.4 29 29 A E H X S+ 0 0 84 -4,-1.3 4,-0.9 2,-0.2 -2,-0.2 0.945 110.5 54.4 -65.5 -46.9 -32.2 -10.1 -9.8 30 30 A L H >< S+ 0 0 45 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.905 114.4 40.8 -51.0 -45.4 -34.4 -12.5 -8.0 31 31 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 5,-0.4 0.750 101.6 70.3 -79.4 -23.3 -33.8 -10.6 -4.7 32 32 A A H 3< S+ 0 0 1 -4,-1.7 33,-0.6 1,-0.3 3,-0.4 0.717 99.3 51.2 -65.8 -19.2 -34.1 -7.2 -6.3 33 33 A G T << S+ 0 0 44 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.287 84.8 90.8 -98.0 10.0 -37.8 -7.9 -6.8 34 34 A A S < S- 0 0 9 -3,-1.8 -1,-0.2 2,-0.0 465,-0.2 0.535 103.2-103.5 -88.4 -8.2 -38.4 -8.8 -3.1 35 35 A G + 0 0 51 -3,-0.4 2,-0.1 1,-0.3 -3,-0.1 0.567 66.3 146.5 103.8 10.7 -39.2 -5.3 -1.9 36 36 A F - 0 0 4 -5,-0.4 -1,-0.3 1,-0.1 -19,-0.2 -0.481 48.2-138.1 -77.7 150.8 -36.1 -4.1 -0.1 37 37 A D S S+ 0 0 58 -21,-2.1 29,-2.4 1,-0.2 2,-0.3 0.822 85.6 10.0 -74.2 -34.8 -35.1 -0.4 -0.2 38 38 A W E -bc 17 66A 0 -22,-1.5 -20,-1.6 27,-0.2 2,-0.4 -0.977 60.5-151.5-144.9 159.9 -31.4 -1.3 -0.7 39 39 A L E -bc 18 67A 0 27,-2.2 29,-2.9 -2,-0.3 2,-0.7 -0.999 15.1-141.2-132.6 133.7 -29.2 -4.2 -1.4 40 40 A L E -bc 19 68A 0 -22,-2.4 -20,-3.2 -2,-0.4 2,-0.8 -0.859 6.7-158.3-101.2 110.6 -25.5 -4.6 -0.3 41 41 A I E -bc 20 69A 0 27,-3.2 29,-2.4 -2,-0.7 2,-0.8 -0.792 21.1-144.6 -86.5 109.7 -23.2 -6.1 -2.9 42 42 A D E + c 0 70A 6 -22,-1.9 4,-0.4 -2,-0.8 6,-0.3 -0.670 33.2 166.0 -91.0 107.4 -20.4 -7.4 -0.7 43 43 A G S S+ 0 0 15 27,-2.2 29,-0.2 -2,-0.8 -1,-0.2 0.397 75.9 55.2 -93.8 1.3 -16.9 -7.1 -2.2 44 44 A E S S+ 0 0 45 27,-0.2 -1,-0.1 26,-0.1 28,-0.1 0.850 120.2 18.6 -98.3 -44.9 -15.2 -7.7 1.1 45 45 A H S S+ 0 0 129 2,-0.0 -2,-0.1 0, 0.0 -24,-0.0 0.300 116.7 63.2-118.3 7.6 -16.5 -11.0 2.5 46 46 A A S S- 0 0 14 -4,-0.4 2,-2.7 -26,-0.1 -24,-0.1 -0.926 96.8 -97.2-126.1 156.2 -18.0 -12.6 -0.6 47 47 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.339 75.3 132.7 -74.8 66.6 -16.2 -13.7 -3.7 48 48 A N + 0 0 22 -2,-2.7 2,-0.3 -6,-0.3 -2,-0.1 -0.763 29.4 178.5-109.2 159.4 -16.9 -10.6 -5.8 49 49 A N > - 0 0 82 -2,-0.3 4,-2.5 22,-0.0 5,-0.2 -0.845 52.8 -79.1-141.2-175.3 -14.8 -8.3 -8.0 50 50 A V H > S+ 0 0 28 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.883 128.3 52.9 -54.4 -38.9 -15.3 -5.2 -10.1 51 51 A Q H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 111.0 42.4 -66.2 -45.4 -16.7 -7.5 -12.9 52 52 A T H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.812 111.5 56.6 -73.9 -29.7 -19.3 -9.4 -10.8 53 53 A V H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.957 105.7 52.9 -59.6 -48.3 -20.3 -6.1 -9.2 54 54 A L H X S+ 0 0 47 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.912 109.5 46.5 -52.8 -48.4 -21.0 -4.7 -12.7 55 55 A T H X S+ 0 0 51 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.831 111.8 51.4 -69.9 -29.8 -23.3 -7.7 -13.6 56 56 A Q H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.876 108.7 51.3 -72.8 -36.1 -25.1 -7.4 -10.3 57 57 A L H X S+ 0 0 7 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.909 110.3 49.7 -62.7 -42.3 -25.7 -3.7 -10.9 58 58 A Q H < S+ 0 0 103 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.898 111.5 48.5 -63.8 -40.4 -27.1 -4.5 -14.4 59 59 A A H < S+ 0 0 15 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 116.4 42.5 -65.9 -39.4 -29.4 -7.1 -12.9 60 60 A I H >< S+ 0 0 2 -4,-2.1 3,-2.4 1,-0.2 -2,-0.2 0.766 90.0 92.7 -78.3 -26.1 -30.7 -4.8 -10.2 61 61 A A T 3< S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.740 82.5 48.1 -46.5 -45.6 -31.0 -1.7 -12.4 62 62 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.608 99.8 84.1 -77.3 -7.9 -34.7 -1.9 -13.5 63 63 A Y S < S- 0 0 67 -3,-2.4 -30,-0.1 2,-0.2 -31,-0.0 -0.516 85.0-120.1 -92.8 161.1 -35.9 -2.6 -9.9 64 64 A P S S+ 0 0 108 0, 0.0 -31,-0.1 0, 0.0 -1,-0.1 0.802 83.2 102.2 -67.7 -30.4 -36.8 -0.1 -7.2 65 65 A S S S- 0 0 2 -33,-0.6 -27,-0.2 -5,-0.1 -2,-0.2 -0.310 70.7-135.0 -60.9 133.2 -34.2 -1.5 -4.8 66 66 A Q E -c 38 0A 51 -29,-2.4 -27,-2.2 -30,-0.1 2,-0.3 -0.759 14.6-127.1 -97.7 133.4 -31.0 0.6 -4.7 67 67 A P E -c 39 0A 35 0, 0.0 2,-0.4 0, 0.0 22,-0.3 -0.556 21.3-173.7 -82.2 139.6 -27.6 -0.9 -4.8 68 68 A V E -c 40 0A 0 -29,-2.9 -27,-3.2 -2,-0.3 2,-0.4 -0.991 12.6-151.5-125.7 138.2 -24.8 -0.3 -2.3 69 69 A V E -cd 41 90A 2 20,-2.7 22,-2.6 -2,-0.4 -27,-0.2 -0.930 6.4-156.8-117.4 133.0 -21.3 -1.7 -2.8 70 70 A R E -c 42 0A 17 -29,-2.4 -27,-2.2 -2,-0.4 22,-0.1 -0.920 14.4-150.5-105.0 113.0 -18.7 -2.6 -0.2 71 71 A P - 0 0 0 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.295 29.2-109.7 -70.0 165.7 -15.1 -2.6 -1.5 72 72 A S S S- 0 0 53 -29,-0.2 2,-0.3 1,-0.1 -28,-0.1 0.739 94.3 -9.4 -71.3 -22.3 -12.7 -5.0 0.1 73 73 A W S S- 0 0 137 2,-0.1 2,-2.7 -30,-0.0 -1,-0.1 -0.972 87.8 -77.5-161.7 169.0 -10.9 -2.1 1.7 74 74 A N S S+ 0 0 19 19,-0.3 18,-0.0 -2,-0.3 29,-0.0 -0.451 73.2 152.8 -73.1 71.5 -10.7 1.7 1.8 75 75 A D > - 0 0 57 -2,-2.7 4,-2.8 1,-0.1 5,-0.2 -0.926 41.3-156.0-114.4 116.0 -8.7 1.6 -1.5 76 76 A P H > S+ 0 0 60 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.840 95.0 52.2 -61.0 -34.2 -8.8 4.6 -3.8 77 77 A V H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.965 113.3 42.5 -65.8 -52.6 -7.9 2.5 -6.9 78 78 A Q H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 113.7 53.3 -59.7 -40.5 -10.6 -0.1 -6.2 79 79 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.943 106.6 52.9 -61.1 -45.8 -13.1 2.7 -5.4 80 80 A K H X S+ 0 0 80 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.918 110.7 46.8 -52.0 -48.4 -12.2 4.4 -8.7 81 81 A Q H X S+ 0 0 95 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.896 111.2 50.7 -66.1 -41.0 -13.0 1.2 -10.6 82 82 A L H <>S+ 0 0 3 -4,-2.4 5,-2.3 1,-0.2 -1,-0.2 0.879 110.0 50.7 -64.3 -38.7 -16.2 0.5 -8.8 83 83 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.6 3,-0.2 -2,-0.2 0.908 105.9 55.5 -65.1 -41.9 -17.4 4.1 -9.5 84 84 A D H 3<5S+ 0 0 29 -4,-2.0 41,-2.4 1,-0.3 40,-0.6 0.832 102.6 54.6 -66.3 -30.2 -16.7 3.8 -13.2 85 85 A V T 3<5S- 0 0 24 -4,-1.4 -1,-0.3 39,-0.2 -2,-0.2 0.488 135.8 -86.3 -80.5 0.4 -18.9 0.7 -13.6 86 86 A G T < 5S+ 0 0 16 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.492 73.4 153.2 117.3 6.2 -21.7 2.7 -12.1 87 87 A T < + 0 0 3 -5,-2.3 -1,-0.3 1,-0.2 3,-0.1 -0.516 6.4 165.2 -69.3 125.7 -21.4 2.5 -8.3 88 88 A Q + 0 0 49 -2,-0.3 55,-2.8 -21,-0.3 2,-0.5 0.598 63.1 52.4-112.6 -21.5 -22.9 5.6 -6.6 89 89 A T E - e 0 143A 4 -22,-0.3 -20,-2.7 53,-0.2 2,-0.4 -0.973 68.2-172.1-123.7 120.5 -23.2 4.4 -2.9 90 90 A L E -de 69 144A 2 53,-2.3 55,-2.5 -2,-0.5 2,-0.6 -0.878 19.0-157.8-114.1 140.3 -20.2 2.9 -1.1 91 91 A L E - e 0 145A 1 -22,-2.6 55,-0.2 -2,-0.4 53,-0.1 -0.933 21.9-159.1-113.3 106.0 -19.9 1.1 2.2 92 92 A V E - e 0 146A 0 53,-3.2 55,-2.9 -2,-0.6 3,-0.4 -0.755 7.7-140.4 -97.3 118.0 -16.2 1.4 3.2 93 93 A P S S+ 0 0 0 0, 0.0 -19,-0.3 0, 0.0 55,-0.1 -0.257 70.3 14.4 -75.3 157.3 -14.9 -1.0 5.8 94 94 A M + 0 0 42 1,-0.2 2,-0.8 -21,-0.1 54,-0.2 0.851 66.0 171.5 53.1 49.1 -12.4 -0.4 8.7 95 95 A V + 0 0 0 52,-2.3 54,-0.2 -3,-0.4 -1,-0.2 -0.831 2.5 175.0 -89.9 114.1 -12.5 3.4 8.8 96 96 A Q + 0 0 45 -2,-0.8 60,-0.3 1,-0.1 2,-0.3 0.691 53.3 1.6 -98.5 -24.4 -10.6 4.1 11.9 97 97 A N S > S- 0 0 44 62,-0.1 4,-1.9 63,-0.1 5,-0.2 -0.917 79.7 -85.4-156.2 177.5 -10.3 7.9 12.0 98 98 A A H > S+ 0 0 14 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.845 120.0 57.2 -62.5 -38.0 -11.2 11.2 10.3 99 99 A D H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 109.3 45.3 -60.4 -43.4 -8.2 11.1 7.9 100 100 A E H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.858 112.0 51.6 -71.2 -34.8 -9.3 7.7 6.6 101 101 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.906 110.4 49.6 -64.0 -41.9 -12.9 8.9 6.3 102 102 A R H X S+ 0 0 108 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.885 108.7 52.7 -64.8 -39.9 -11.7 11.9 4.3 103 103 A E H X S+ 0 0 108 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.904 108.0 51.1 -61.9 -43.2 -9.7 9.7 2.0 104 104 A A H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.938 111.9 47.2 -59.1 -47.2 -12.7 7.6 1.3 105 105 A V H >< S+ 0 0 5 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.920 111.2 49.8 -61.3 -45.6 -14.7 10.7 0.4 106 106 A R H >< S+ 0 0 108 -4,-2.5 9,-2.4 1,-0.3 3,-1.1 0.769 100.6 64.5 -69.8 -24.7 -12.0 12.2 -1.8 107 107 A A H 3< S+ 0 0 2 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.724 103.2 50.0 -67.2 -20.4 -11.6 8.9 -3.7 108 108 A T T << S+ 0 0 2 -3,-1.3 2,-0.4 -4,-0.6 -1,-0.2 0.412 100.8 77.9 -98.7 2.1 -15.2 9.4 -4.9 109 109 A R S < S- 0 0 32 -3,-1.1 7,-2.6 -4,-0.2 31,-0.0 -0.928 73.4-126.5-124.5 135.9 -14.9 13.0 -6.1 110 110 A Y >> - 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0 0 78 -2,-0.3 4,-2.5 22,-0.0 5,-0.2 -0.855 52.0 -79.8-142.6-176.4 -25.8 -26.6 -19.6 302 50 B V H > S+ 0 0 25 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.893 128.0 51.5 -55.0 -39.7 -23.3 -29.5 -19.5 303 51 B Q H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.892 111.5 43.9 -67.6 -41.6 -20.6 -27.2 -18.2 304 52 B T H > S+ 0 0 41 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.807 111.1 55.3 -75.6 -29.3 -22.6 -25.7 -15.3 305 53 B V H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.959 106.0 53.6 -61.2 -49.2 -23.8 -29.2 -14.4 306 54 B L H X S+ 0 0 48 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.910 109.3 46.3 -50.6 -49.1 -20.2 -30.3 -14.2 307 55 B T H X S+ 0 0 54 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.843 112.0 51.2 -69.3 -30.9 -19.3 -27.5 -11.8 308 56 B Q H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.874 108.8 51.3 -72.1 -36.2 -22.3 -28.2 -9.6 309 57 B L H X S+ 0 0 6 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.910 110.8 49.5 -61.9 -42.4 -21.4 -31.9 -9.5 310 58 B Q H < S+ 0 0 103 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.909 111.3 48.7 -63.3 -42.1 -17.9 -30.9 -8.3 311 59 B A H < S+ 0 0 16 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.889 116.4 42.6 -64.1 -39.2 -19.3 -28.6 -5.7 312 60 B I H >< S+ 0 0 1 -4,-2.1 3,-2.4 1,-0.2 -1,-0.2 0.766 89.5 93.4 -79.3 -26.3 -21.7 -31.2 -4.3 313 61 B A T 3< S+ 0 0 60 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.744 81.8 48.2 -44.1 -49.2 -19.3 -34.2 -4.5 314 62 B P T 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.593 99.6 84.5 -76.3 -5.8 -17.8 -34.2 -0.9 315 63 B Y S < S- 0 0 70 -3,-2.4 -30,-0.1 2,-0.2 -31,-0.0 -0.484 84.7-120.7 -92.5 163.5 -21.3 -33.9 0.7 316 64 B P S S+ 0 0 110 0, 0.0 -31,-0.1 0, 0.0 -1,-0.1 0.788 83.0 102.4 -72.6 -27.4 -23.7 -36.8 1.5 317 65 B S S S- 0 0 3 -33,-0.6 -27,-0.2 -5,-0.1 -2,-0.2 -0.334 71.0-134.2 -61.6 134.2 -26.5 -35.3 -0.7 318 66 B Q E -k 290 0B 49 -29,-2.3 -27,-2.4 -30,-0.1 2,-0.3 -0.757 13.9-125.8 -99.0 135.6 -26.7 -37.2 -4.0 319 67 B P E -k 291 0B 36 0, 0.0 2,-0.4 0, 0.0 21,-0.3 -0.574 22.7-176.4 -82.8 138.4 -27.0 -35.4 -7.4 320 68 B V E -k 292 0B 0 -29,-2.8 -27,-3.2 -2,-0.3 2,-0.4 -0.989 13.3-152.6-126.8 138.8 -29.7 -36.0 -9.9 321 69 B V E -kl 293 342B 2 20,-2.5 22,-2.5 -2,-0.4 -27,-0.2 -0.941 6.9-155.6-119.5 134.2 -29.7 -34.2 -13.2 322 70 B R E -k 294 0B 18 -29,-2.5 -27,-2.2 -2,-0.4 22,-0.2 -0.926 14.3-151.3-104.3 115.0 -32.5 -33.3 -15.5 323 71 B P - 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