==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-MAR-00 1EPX . COMPND 2 MOLECULE: FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR D.M.CHUDZIK,P.A.MICHELS,S.DE WALQUE,W.G.J.HOL . 1428 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1025 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 3.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 76 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 184 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 500 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.0 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 0 0 4 4 0 4 12 4 0 0 4 0 0 0 4 0 8 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 4 8 4 0 0 4 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 . 10 0 4 0 2 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 . 6 0 0 0 0 0 0 4 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 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-120.8 -56.0 -87.1 4.7 2 2 A S - 0 0 54 363,-0.1 364,-2.5 1,-0.1 365,-0.5 -0.264 360.0-146.1 -59.7 145.1 -59.5 -88.1 5.8 3 3 A R E -A 365 0A 143 362,-0.2 2,-0.4 363,-0.1 362,-0.2 -0.834 12.7-169.9-112.9 144.7 -62.3 -89.0 3.3 4 4 A V E -A 364 0A 33 360,-2.3 360,-2.7 -2,-0.3 2,-0.6 -0.999 20.0-131.4-141.7 136.6 -65.9 -88.4 3.7 5 5 A T E +A 363 0A 50 -2,-0.4 358,-0.3 358,-0.3 2,-0.2 -0.835 37.7 167.4 -88.8 123.8 -68.9 -89.5 1.8 6 6 A V E -A 362 0A 0 356,-2.7 356,-2.4 -2,-0.6 2,-0.4 -0.757 43.7 -86.0-127.6 171.4 -71.3 -86.7 0.8 7 7 A L E > -A 361 0A 22 -2,-0.2 3,-2.5 354,-0.2 354,-0.3 -0.674 33.1-134.7 -74.7 137.8 -74.2 -86.0 -1.3 8 8 A Q G > S+ 0 0 65 352,-2.8 3,-2.6 -2,-0.4 6,-0.3 0.905 107.9 66.1 -58.2 -31.9 -72.9 -85.0 -4.8 9 9 A S G 3 S+ 0 0 33 351,-0.5 -1,-0.3 1,-0.3 352,-0.1 0.673 91.6 61.9 -66.8 -9.5 -75.6 -82.2 -4.4 10 10 A Q G < S+ 0 0 3 -3,-2.5 -1,-0.3 833,-0.1 876,-0.2 0.432 86.3 94.8 -91.0 -0.0 -73.5 -80.8 -1.6 11 11 A L S X S- 0 0 3 -3,-2.6 3,-1.8 -4,-0.2 832,-0.1 -0.802 76.5-134.5 -95.1 134.2 -70.5 -80.3 -4.0 12 12 A P G > S+ 0 0 16 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.809 103.9 55.7 -50.9 -38.7 -70.1 -76.8 -5.6 13 13 A A G 3 S+ 0 0 7 1,-0.3 3,-0.2 1229,-0.2 1278,-0.2 0.649 102.4 57.0 -75.4 -9.3 -69.5 -78.3 -9.0 14 14 A Y G < S+ 0 0 18 -3,-1.8 -1,-0.3 -6,-0.3 -3,-0.1 -0.140 72.4 112.8-112.1 47.2 -72.7 -80.2 -9.0 15 15 A N < + 0 0 29 -3,-0.7 828,-0.2 1272,-0.1 -1,-0.2 0.329 29.8 130.5-105.0 12.9 -75.1 -77.4 -8.5 16 16 A R S S- 0 0 43 -3,-0.2 215,-0.2 1,-0.1 214,-0.1 -0.368 71.3 -92.8 -68.4 141.5 -77.1 -77.1 -11.7 17 17 A L - 0 0 11 213,-2.5 2,-0.7 1,-0.1 -1,-0.1 -0.285 34.3-148.4 -57.4 135.4 -80.8 -77.0 -11.0 18 18 A K + 0 0 85 823,-0.2 -1,-0.1 -3,-0.1 3,-0.0 -0.899 30.5 157.0-109.6 108.2 -82.5 -80.3 -11.1 19 19 A T > - 0 0 14 -2,-0.7 3,-1.7 1,-0.1 170,-0.1 -0.991 45.4-141.8-134.7 136.9 -86.1 -80.0 -12.3 20 20 A P T 3 S+ 0 0 118 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.708 102.5 65.9 -67.8 -14.1 -88.4 -82.5 -13.9 21 21 A Y T 3> + 0 0 69 167,-0.2 4,-2.9 1,-0.2 5,-0.3 0.432 68.0 110.5 -86.8 4.6 -89.6 -79.7 -16.1 22 22 A E H <> S+ 0 0 57 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 0.900 77.1 44.0 -44.0 -56.5 -86.3 -79.4 -17.9 23 23 A S H > S+ 0 0 96 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.909 113.7 49.1 -64.8 -34.6 -87.4 -80.7 -21.2 24 24 A E H > S+ 0 0 69 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.889 108.1 55.7 -72.8 -31.3 -90.6 -78.8 -21.4 25 25 A L H X S+ 0 0 1 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.944 109.2 46.4 -64.8 -41.3 -88.9 -75.7 -20.5 26 26 A I H X S+ 0 0 65 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.951 110.2 53.2 -65.7 -38.0 -86.5 -76.1 -23.4 27 27 A A H X S+ 0 0 62 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.915 109.8 49.1 -61.7 -40.1 -89.4 -76.9 -25.7 28 28 A T H X S+ 0 0 14 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.936 107.7 53.2 -66.6 -43.7 -91.1 -73.7 -24.6 29 29 A V H X S+ 0 0 7 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.952 106.8 53.7 -56.7 -43.1 -87.9 -71.7 -25.2 30 30 A K H >< S+ 0 0 63 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.945 110.7 46.2 -57.3 -42.0 -87.9 -73.2 -28.8 31 31 A K H >< S+ 0 0 40 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.909 112.1 51.9 -63.9 -38.1 -91.5 -71.9 -29.3 32 32 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.572 107.6 52.8 -79.1 -8.7 -90.4 -68.6 -27.8 33 33 A T T << S+ 0 0 29 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.1 -0.193 74.7 147.4-119.5 43.2 -87.5 -68.2 -30.2 34 34 A T X - 0 0 44 -3,-0.9 3,-2.3 1,-0.1 49,-0.1 -0.647 58.0-101.4 -82.8 129.6 -89.4 -68.8 -33.5 35 35 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.242 105.1 13.0 -56.1 139.5 -87.9 -66.9 -36.3 36 36 A G T 3 S+ 0 0 5 1,-0.2 2,-0.3 309,-0.1 312,-0.1 0.481 109.2 104.2 68.2 10.2 -89.8 -63.7 -37.2 37 37 A K < + 0 0 57 -3,-2.3 45,-0.3 311,-0.1 2,-0.2 -0.863 40.7 169.0-116.8 160.3 -91.9 -63.9 -33.9 38 38 A G E -b 82 0B 0 43,-1.8 45,-2.6 -2,-0.3 46,-0.8 -0.748 33.6 -84.3-147.9-170.6 -91.7 -61.9 -30.7 39 39 A L E -bc 84 310B 0 270,-2.6 272,-1.7 -2,-0.2 2,-0.6 -0.874 20.4-140.2-110.4 146.3 -93.7 -61.4 -27.5 40 40 A L E -bc 85 311B 0 44,-2.0 46,-3.1 -2,-0.4 2,-0.8 -0.910 16.8-149.2 -99.7 128.5 -96.5 -59.2 -26.7 41 41 A A E +b 86 0B 1 270,-2.3 46,-0.1 -2,-0.6 274,-0.1 -0.892 31.8 157.4 -96.2 104.5 -96.1 -57.7 -23.2 42 42 A A E +b 87 0B 0 44,-2.4 46,-0.8 -2,-0.8 49,-0.1 -0.120 34.1 114.7-122.2 32.7 -99.7 -57.2 -21.9 43 43 A D + 0 0 10 44,-0.3 46,-0.2 45,-0.1 -1,-0.1 0.158 35.4 148.1 -93.1 18.2 -98.8 -57.2 -18.2 44 44 A E - 0 0 21 -3,-0.1 44,-0.1 1,-0.1 5,-0.1 -0.157 50.8-108.4 -54.8 138.6 -99.7 -53.5 -17.4 45 45 A S > - 0 0 57 1,-0.1 4,-1.1 43,-0.1 3,-0.2 -0.326 19.6-115.2 -69.5 158.5 -101.1 -53.0 -13.9 46 46 A I H >> S+ 0 0 65 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.909 117.0 56.4 -56.6 -42.5 -104.6 -52.3 -13.2 47 47 A G H >> S+ 0 0 51 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.888 100.0 56.4 -57.4 -44.9 -103.5 -49.0 -11.9 48 48 A S H 3> S+ 0 0 30 1,-0.3 4,-2.4 -3,-0.2 -1,-0.3 0.754 92.3 70.1 -62.3 -29.2 -101.8 -48.0 -15.0 49 49 A C H < S+ 0 0 77 -4,-0.6 3,-1.2 -3,-0.2 -2,-0.2 0.934 117.9 57.9 -65.3 -41.3 -103.9 -43.1 -17.1 52 52 A R H 3< S+ 0 0 79 -4,-2.4 4,-0.3 1,-0.3 -1,-0.2 0.856 110.7 41.6 -55.9 -40.5 -103.7 -45.3 -20.2 53 53 A F H ><>S+ 0 0 3 -4,-2.8 5,-1.7 -5,-0.2 3,-0.7 0.580 90.6 86.9 -87.3 -11.3 -107.3 -45.0 -20.8 54 54 A Q G X<5S+ 0 0 71 -3,-1.2 3,-1.7 -4,-0.7 -1,-0.2 0.932 85.5 55.3 -56.4 -46.5 -107.8 -41.3 -20.1 55 55 A P G 3 5S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.805 114.2 41.6 -54.4 -30.3 -107.0 -40.3 -23.6 56 56 A I G < 5S- 0 0 38 -3,-0.7 -2,-0.2 -4,-0.3 3,-0.1 0.290 106.4-124.0-104.6 10.5 -109.7 -42.6 -24.9 57 57 A G T < 5 + 0 0 72 -3,-1.7 2,-0.5 -4,-0.4 -3,-0.2 0.801 59.6 148.8 48.7 43.1 -112.2 -41.8 -22.3 58 58 A L < - 0 0 18 -5,-1.7 -1,-0.2 -8,-0.1 -2,-0.1 -0.898 48.7-122.3-104.5 126.1 -112.5 -45.4 -21.4 59 59 A S - 0 0 67 -2,-0.5 2,-1.6 -3,-0.1 5,-0.1 -0.471 23.2-115.9 -71.8 142.1 -113.3 -46.0 -17.8 60 60 A N + 0 0 41 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.602 61.2 141.6 -77.8 93.0 -110.9 -48.1 -16.0 61 61 A T > - 0 0 53 -2,-1.6 4,-2.4 1,-0.1 5,-0.1 -0.839 64.3-108.9-126.4 167.3 -113.0 -51.2 -15.1 62 62 A E H > S+ 0 0 113 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.919 120.3 46.0 -60.6 -47.4 -112.3 -55.0 -15.0 63 63 A E H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 112.4 48.8 -63.9 -42.5 -114.5 -55.5 -18.1 64 64 A H H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 109.4 53.9 -68.8 -28.9 -112.9 -52.7 -20.0 65 65 A R H X S+ 0 0 20 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.923 108.5 49.0 -64.8 -42.6 -109.5 -54.1 -19.0 66 66 A R H X S+ 0 0 46 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.892 110.7 51.7 -59.3 -41.4 -110.6 -57.5 -20.5 67 67 A Q H X S+ 0 0 50 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.899 106.8 53.3 -65.9 -36.0 -111.8 -55.6 -23.7 68 68 A Y H X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.951 114.0 41.4 -64.7 -44.0 -108.4 -53.9 -24.0 69 69 A R H >X S+ 0 0 1 -4,-2.2 4,-3.4 1,-0.2 3,-0.8 0.917 111.2 55.2 -69.6 -40.8 -106.6 -57.1 -23.8 70 70 A A H 3X S+ 0 0 9 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.845 94.1 71.6 -65.5 -24.9 -109.1 -58.9 -26.1 71 71 A L H 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.911 115.2 23.4 -50.0 -47.4 -108.4 -56.1 -28.6 72 72 A M H X< S+ 0 0 2 -4,-0.9 3,-1.6 -3,-0.8 -2,-0.2 0.891 121.7 52.7 -89.4 -48.4 -105.0 -57.7 -29.1 73 73 A L H 3< S+ 0 0 1 -4,-3.4 -3,-0.2 1,-0.3 -2,-0.2 0.809 114.7 41.6 -63.0 -25.4 -105.4 -61.3 -28.1 74 74 A E T 3< S+ 0 0 33 -4,-2.3 2,-1.1 -5,-0.3 -1,-0.3 0.181 79.6 122.5-106.6 16.1 -108.5 -62.0 -30.3 75 75 A A S X S- 0 0 1 -3,-1.6 3,-1.6 -5,-0.1 4,-0.2 -0.710 71.4-122.2 -76.0 105.4 -107.0 -60.1 -33.2 76 76 A E T 3 S+ 0 0 86 -2,-1.1 -2,-0.1 1,-0.2 -1,-0.0 -0.231 89.3 20.4 -54.6 132.0 -107.1 -62.9 -35.8 77 77 A G T > S+ 0 0 35 1,-0.0 3,-1.7 3,-0.0 4,-0.3 0.349 79.5 119.3 90.6 1.6 -103.7 -63.7 -37.3 78 78 A F G X> + 0 0 0 -3,-1.6 3,-2.3 1,-0.3 4,-1.5 0.807 62.9 75.3 -69.1 -21.9 -101.5 -62.2 -34.7 79 79 A E G 34 S+ 0 0 41 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.701 79.6 70.8 -58.7 -23.9 -100.0 -65.6 -34.1 80 80 A Q G <4 S+ 0 0 57 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.834 116.1 22.2 -66.3 -26.3 -98.1 -65.1 -37.3 81 81 A Y T <4 S+ 0 0 50 -3,-2.3 -43,-1.8 -4,-0.3 2,-0.5 0.550 115.5 64.3-114.6 -14.1 -96.0 -62.6 -35.5 82 82 A I E < -b 38 0B 1 -4,-1.5 -43,-0.2 -45,-0.3 -1,-0.1 -0.975 46.6-177.6-118.4 125.7 -96.3 -63.3 -31.7 83 83 A S E S- 0 0 6 -45,-2.6 29,-2.6 -2,-0.5 2,-0.3 0.606 73.5 -2.3 -94.0 -14.2 -95.0 -66.5 -30.2 84 84 A G E -bd 39 112B 0 -46,-0.8 -44,-2.0 27,-0.3 2,-0.4 -0.977 61.4-139.0-167.7 159.1 -96.2 -65.8 -26.5 85 85 A V E -bd 40 113B 0 27,-2.2 29,-2.4 -2,-0.3 2,-1.0 -0.995 15.9-133.4-132.0 134.2 -97.9 -63.1 -24.6 86 86 A I E -bd 41 114B 0 -46,-3.1 -44,-2.4 -2,-0.4 29,-0.2 -0.775 33.8-155.9 -91.1 108.4 -96.9 -61.9 -21.1 87 87 A L E -bd 42 115B 0 27,-2.2 29,-2.0 -2,-1.0 -44,-0.3 -0.547 13.7-120.2 -83.2 154.8 -100.2 -61.7 -19.3 88 88 A H > - 0 0 21 -46,-0.8 4,-1.7 -2,-0.2 3,-0.4 -0.578 35.0-110.3 -82.0 148.5 -101.2 -59.7 -16.2 89 89 A D H > S+ 0 0 83 27,-0.3 4,-0.8 1,-0.2 3,-0.2 0.907 118.5 53.1 -46.0 -45.0 -102.4 -61.8 -13.3 90 90 A E H >4 S+ 0 0 23 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.957 105.8 53.9 -60.1 -41.3 -105.9 -60.6 -13.8 91 91 A T H >4 S+ 0 0 0 -3,-0.4 3,-1.6 1,-0.3 11,-0.5 0.834 92.1 70.8 -67.9 -27.5 -106.0 -61.6 -17.4 92 92 A V H 3< S+ 0 0 4 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.861 104.6 42.3 -54.9 -36.4 -105.0 -65.1 -16.8 93 93 A G T << S+ 0 0 54 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.461 96.6 99.8 -93.4 -0.4 -108.4 -65.6 -15.3 94 94 A Q < - 0 0 13 -3,-1.6 8,-2.8 -4,-0.3 2,-0.3 -0.475 67.3-126.1 -83.5 156.5 -110.4 -63.7 -18.0 95 95 A K B -J 101 0C 119 6,-0.3 6,-0.3 -2,-0.1 2,-0.1 -0.805 9.3-132.5-109.6 144.8 -112.2 -65.3 -20.9 96 96 A A > - 0 0 4 4,-3.5 3,-1.9 -2,-0.3 6,-0.1 -0.274 47.4 -85.7 -76.3 177.7 -112.0 -64.7 -24.5 97 97 A S T 3 S+ 0 0 92 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.851 127.1 59.2 -60.2 -28.7 -115.3 -64.3 -26.5 98 98 A N T 3 S- 0 0 86 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.417 119.8-104.7 -85.7 8.2 -115.6 -68.0 -26.9 99 99 A G S < S+ 0 0 35 -3,-1.9 2,-0.1 1,-0.3 -2,-0.1 0.249 81.4 124.9 94.1 -19.0 -115.7 -68.7 -23.3 100 100 A Q - 0 0 62 1,-0.1 -4,-3.5 -5,-0.1 -1,-0.3 -0.435 68.4-105.2 -74.9 151.9 -112.1 -70.1 -23.0 101 101 A T B > -J 95 0C 32 -6,-0.3 4,-3.4 1,-0.1 -6,-0.3 -0.375 34.9-108.6 -69.3 155.3 -109.7 -68.6 -20.6 102 102 A F H > S+ 0 0 0 -8,-2.8 4,-2.9 -11,-0.5 5,-0.4 0.955 122.3 50.9 -52.9 -43.8 -107.2 -66.4 -22.2 103 103 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.927 112.9 46.4 -59.8 -39.6 -104.5 -69.0 -21.5 104 104 A E H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.936 112.7 50.2 -64.4 -44.8 -106.7 -71.6 -23.1 105 105 A Y H X S+ 0 0 15 -4,-3.4 4,-1.0 2,-0.2 -1,-0.2 0.926 111.7 46.1 -58.0 -51.7 -107.5 -69.5 -26.0 106 106 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 3,-0.9 0.916 110.8 53.4 -58.0 -46.9 -103.8 -68.6 -26.7 107 107 A T H ><5S+ 0 0 77 -4,-2.1 3,-1.8 -5,-0.4 -1,-0.2 0.900 105.6 52.3 -61.1 -39.3 -102.7 -72.1 -26.4 108 108 A A H 3<5S+ 0 0 64 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.791 108.1 51.8 -69.5 -19.4 -105.2 -73.3 -28.8 109 109 A R T <<5S- 0 0 92 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.270 122.9-108.8 -93.7 6.7 -104.0 -70.7 -31.3 110 110 A G T < 5S+ 0 0 62 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.648 78.7 130.4 77.1 13.6 -100.5 -71.9 -30.7 111 111 A V < - 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0 0 23 -3,-0.1 44,-0.1 1,-0.1 5,-0.1 -0.157 50.8-108.4 -54.8 138.6 -35.8 -49.7 5.9 403 45 B S > - 0 0 55 1,-0.1 4,-1.1 43,-0.1 3,-0.2 -0.326 19.6-115.2 -69.6 158.5 -34.5 -50.3 2.4 404 46 B I H >> S+ 0 0 68 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.909 117.0 56.4 -56.6 -42.4 -30.9 -49.7 1.4 405 47 B G H >> S+ 0 0 51 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.888 100.0 56.4 -57.4 -44.9 -32.1 -47.1 -0.8 406 48 B S H 3> S+ 0 0 33 1,-0.3 4,-2.4 -3,-0.2 -1,-0.3 0.753 92.3 70.1 -62.3 -29.2 -33.8 -45.2 1.9 407 49 B C H < S+ 0 0 77 -4,-0.6 3,-1.2 -3,-0.2 -2,-0.2 0.934 117.9 57.9 -65.3 -41.3 -31.7 -39.8 2.4 410 52 B R H 3< S+ 0 0 85 -4,-2.4 4,-0.3 1,-0.3 -1,-0.2 0.856 110.7 41.6 -55.9 -40.5 -31.9 -41.0 6.0 411 53 B F H ><>S+ 0 0 3 -4,-2.8 5,-1.7 -5,-0.2 3,-0.7 0.580 90.6 86.9 -87.3 -11.4 -28.3 -40.5 6.5 412 54 B Q G X<5S+ 0 0 69 -3,-1.2 3,-1.7 -4,-0.7 -1,-0.2 0.932 85.5 55.3 -56.4 -46.4 -27.8 -37.2 4.7 413 55 B P G 3 5S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.805 114.2 41.6 -54.4 -30.3 -28.7 -35.1 7.7 414 56 B I G < 5S- 0 0 38 -3,-0.7 -2,-0.2 -4,-0.3 3,-0.1 0.290 106.4-124.0-104.6 10.4 -25.9 -36.9 9.6 415 57 B G T < 5 + 0 0 72 -3,-1.7 2,-0.5 -4,-0.4 -3,-0.2 0.801 59.6 148.8 48.7 43.1 -23.4 -36.9 6.9 416 58 B L < - 0 0 18 -5,-1.7 -1,-0.2 -8,-0.1 -2,-0.1 -0.897 48.7-122.3-104.6 126.1 -23.1 -40.7 7.2 417 59 B S - 0 0 65 -2,-0.5 2,-1.6 -3,-0.1 5,-0.1 -0.471 23.2-115.9 -71.8 142.1 -22.3 -42.4 3.9 418 60 B N + 0 0 40 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.602 61.2 141.6 -77.8 93.0 -24.7 -45.0 2.9 419 61 B T > - 0 0 53 -2,-1.6 4,-2.4 1,-0.1 5,-0.1 -0.839 64.2-108.9-126.3 167.3 -22.6 -48.1 3.0 420 62 B E H > S+ 0 0 111 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.919 120.3 46.0 -60.6 -47.4 -23.2 -51.7 4.0 421 63 B E H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 112.4 48.8 -63.9 -42.5 -21.1 -51.3 7.2 422 64 B H H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 109.4 53.9 -68.8 -28.9 -22.6 -48.0 8.1 423 65 B R H X S+ 0 0 20 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.923 108.5 49.0 -64.8 -42.6 -26.0 -49.7 7.6 424 66 B R H X S+ 0 0 47 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.892 110.7 51.7 -59.2 -41.4 -25.0 -52.4 10.1 425 67 B Q H X S+ 0 0 48 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.899 106.8 53.3 -65.9 -36.0 -23.8 -49.7 12.5 426 68 B Y H X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.951 114.0 41.4 -64.7 -44.0 -27.2 -47.9 12.2 427 69 B R H >X S+ 0 0 1 -4,-2.2 4,-3.4 1,-0.2 3,-0.8 0.917 111.2 55.2 -69.6 -40.7 -29.0 -51.1 13.1 428 70 B A H 3X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.845 94.1 71.6 -65.6 -24.9 -26.5 -52.0 15.8 429 71 B L H 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.911 115.2 23.4 -50.0 -47.4 -27.2 -48.6 17.4 430 72 B M H X< S+ 0 0 2 -4,-0.9 3,-1.6 -3,-0.8 -2,-0.2 0.891 121.7 52.7 -89.4 -48.4 -30.6 -50.0 18.3 431 73 B L H 3< S+ 0 0 0 -4,-3.4 -3,-0.2 1,-0.3 -2,-0.2 0.808 114.7 41.6 -63.1 -25.3 -30.2 -53.8 18.4 432 74 B E T 3< S+ 0 0 33 -4,-2.3 2,-1.1 -5,-0.3 -1,-0.3 0.182 79.6 122.5-106.6 16.1 -27.1 -53.7 20.8 433 75 B A S X S- 0 0 0 -3,-1.6 3,-1.6 -5,-0.1 4,-0.2 -0.710 71.4-122.2 -75.9 105.3 -28.6 -51.0 23.0 434 76 B E T 3 S+ 0 0 85 -2,-1.1 -2,-0.1 1,-0.2 -1,-0.0 -0.232 89.3 20.3 -54.6 132.0 -28.5 -52.9 26.3 435 77 B G T > S+ 0 0 34 1,-0.0 3,-1.7 3,-0.0 4,-0.3 0.349 79.5 119.4 90.6 1.6 -32.0 -53.2 27.9 436 78 B F G X> + 0 0 0 -3,-1.6 3,-2.3 1,-0.3 4,-1.5 0.807 62.9 75.3 -69.1 -21.9 -34.1 -52.6 24.9 437 79 B E G 34 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.701 79.6 70.8 -58.7 -24.0 -35.6 -56.0 25.5 438 80 B Q G <4 S+ 0 0 54 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.834 116.1 22.2 -66.4 -26.3 -37.6 -54.6 28.3 439 81 B Y T <4 S+ 0 0 49 -3,-2.3 -43,-1.8 -4,-0.3 2,-0.5 0.550 115.5 64.4-114.6 -14.1 -39.7 -52.7 25.8 440 82 B I E < -n 396 0G 1 -4,-1.5 -43,-0.2 -45,-0.3 -1,-0.1 -0.975 46.6-177.6-118.4 125.7 -39.3 -54.5 22.5 441 83 B S E S- 0 0 6 -45,-2.6 29,-2.6 -2,-0.5 2,-0.3 0.607 73.5 -2.3 -94.0 -14.1 -40.6 -58.1 22.0 442 84 B G E -np 397 470G 0 -46,-0.8 -44,-2.0 27,-0.3 2,-0.4 -0.977 61.4-139.0-167.8 159.1 -39.4 -58.5 18.3 443 85 B V E -np 398 471G 0 27,-2.2 29,-2.4 -2,-0.3 2,-1.0 -0.995 15.9-133.4-132.0 134.2 -37.7 -56.5 15.6 444 86 B I E -np 399 472G 0 -46,-3.1 -44,-2.4 -2,-0.4 29,-0.2 -0.775 33.8-155.9 -91.1 108.4 -38.6 -56.5 11.9 445 87 B L E -np 400 473G 0 27,-2.2 29,-2.0 -2,-1.0 -44,-0.3 -0.546 13.7-120.2 -83.1 154.8 -35.4 -56.9 10.2 446 88 B H > - 0 0 21 -46,-0.8 4,-1.7 -2,-0.2 3,-0.5 -0.578 35.0-110.3 -82.0 148.5 -34.3 -55.9 6.6 447 89 B D H > S+ 0 0 85 27,-0.3 4,-0.8 1,-0.2 3,-0.2 0.907 118.5 53.1 -46.0 -45.0 -33.2 -58.8 4.5 448 90 B E H >4 S+ 0 0 24 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.957 105.8 53.9 -60.0 -41.3 -29.6 -57.5 4.6 449 91 B T H >4 S+ 0 0 0 -3,-0.5 3,-1.5 1,-0.3 11,-0.5 0.834 92.1 70.8 -67.9 -27.5 -29.5 -57.3 8.4 450 92 B V H 3< S+ 0 0 3 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.861 104.6 42.3 -54.8 -36.4 -30.5 -60.8 8.8 451 93 B G T << S+ 0 0 54 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.461 96.6 99.8 -93.4 -0.4 -27.1 -61.8 7.6 452 94 B Q < - 0 0 11 -3,-1.5 8,-2.8 -4,-0.3 2,-0.3 -0.475 67.3-126.1 -83.4 156.5 -25.2 -59.1 9.5 453 95 B K B -V 459 0H 119 6,-0.3 6,-0.3 -2,-0.1 2,-0.1 -0.805 9.3-132.5-109.7 144.8 -23.3 -59.8 12.8 454 96 B A > - 0 0 4 4,-3.5 3,-1.9 -2,-0.3 6,-0.1 -0.275 47.4 -85.7 -76.2 177.7 -23.6 -58.1 16.1 455 97 B S T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.851 127.1 59.2 -60.1 -28.7 -20.3 -57.0 17.8 456 98 B N T 3 S- 0 0 84 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.417 119.8-104.7 -85.7 8.2 -20.0 -60.5 19.4 457 99 B G S < S+ 0 0 34 -3,-1.9 2,-0.1 1,-0.3 -2,-0.1 0.250 81.4 125.0 94.1 -19.0 -19.9 -62.3 16.1 458 100 B Q - 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