==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-JUN-11 3S9Y . COMPND 2 MOLECULE: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR Y.LIU,L.P.KOTRA,E.F.PAI . 1295 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 983 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 149 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 65 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 174 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 504 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 2.9 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 2 0 4 7 0 4 0 8 4 0 3 5 3 0 2 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 5 15 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 . 3 8 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 . 4 0 2 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 -7 A S 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.3 -25.3 -6.1 39.1 2 -6 A G + 0 0 83 2,-0.1 2,-0.1 3,-0.0 0, 0.0 0.334 360.0 98.9-100.9 5.6 -27.1 -3.5 41.2 3 -5 A L S S- 0 0 141 1,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.393 89.1 -73.5 -96.9 167.6 -25.6 -4.7 44.5 4 -4 A V - 0 0 124 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.325 62.1-102.1 -58.0 133.5 -22.7 -3.4 46.6 5 -3 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.272 31.3-170.7 -61.9 146.3 -19.5 -4.3 44.9 6 -2 A R + 0 0 244 2,-0.1 3,-0.1 -3,-0.1 2,-0.1 0.618 61.6 76.9-109.2 -19.6 -17.6 -7.3 46.3 7 -1 A G S S- 0 0 50 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.263 101.5 -59.6 -86.4 174.4 -14.3 -7.0 44.4 8 0 A S - 0 0 53 1,-0.1 2,-0.6 -2,-0.1 -1,-0.2 -0.269 48.0-156.5 -55.8 137.0 -11.5 -4.5 45.0 9 1 A M + 0 0 99 1,-0.1 4,-0.3 -3,-0.1 -1,-0.1 -0.967 58.7 10.9-120.1 101.4 -12.6 -0.9 44.7 10 2 A G S > S- 0 0 17 -2,-0.6 4,-2.6 2,-0.1 3,-0.4 0.200 78.0 -97.2 112.3 144.0 -9.7 1.3 43.9 11 3 A F H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.860 119.8 59.7 -58.3 -37.2 -6.1 1.2 42.8 12 4 A K H > S+ 0 0 45 230,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.917 110.6 41.3 -56.3 -44.4 -4.9 1.6 46.4 13 5 A V H > S+ 0 0 27 229,-0.5 4,-2.6 -3,-0.4 5,-0.3 0.923 113.3 52.7 -71.6 -44.5 -6.8 -1.6 47.4 14 6 A K H X S+ 0 0 22 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.911 112.0 46.3 -58.4 -44.7 -5.7 -3.5 44.3 15 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.902 112.4 49.5 -62.1 -44.3 -2.0 -2.7 44.9 16 8 A E H X S+ 0 0 89 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.922 111.0 49.2 -66.3 -45.0 -2.2 -3.6 48.6 17 9 A K H X S+ 0 0 106 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.933 114.4 45.0 -62.2 -41.7 -3.9 -7.0 47.9 18 10 A R H X S+ 0 0 46 -4,-2.0 4,-2.7 -5,-0.3 5,-0.4 0.923 111.5 52.5 -69.3 -41.4 -1.4 -8.0 45.3 19 11 A R H X S+ 0 0 36 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.893 107.7 52.7 -58.2 -42.3 1.5 -6.8 47.4 20 12 A N H < S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 114.5 42.8 -58.3 -35.8 0.2 -9.0 50.3 21 13 A A H < S+ 0 0 78 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.857 127.5 25.1 -83.6 -37.7 0.1 -12.0 48.0 22 14 A I H < S- 0 0 24 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.550 89.0-139.8-110.5 -8.0 3.4 -11.7 46.1 23 15 A N < + 0 0 81 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.1 0.885 60.7 97.7 54.9 49.9 5.6 -9.7 48.5 24 16 A T - 0 0 0 -5,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.974 60.1-149.0-150.3 170.8 7.3 -7.4 46.1 25 17 A C + 0 0 0 -2,-0.3 273,-2.3 293,-0.1 2,-0.3 0.098 50.3 139.0-125.8 21.5 7.3 -3.9 44.6 26 18 A L E -a 298 0A 0 79,-0.3 81,-2.7 271,-0.2 82,-1.2 -0.479 35.3-162.8 -65.4 128.8 8.8 -4.8 41.2 27 19 A C E -ab 299 108A 0 271,-3.2 273,-2.8 -2,-0.3 2,-0.6 -0.970 11.0-146.6-111.3 117.1 7.0 -3.0 38.3 28 20 A I E -ab 300 109A 0 80,-2.5 82,-2.3 -2,-0.5 2,-0.4 -0.781 9.5-144.9 -90.2 122.3 7.8 -4.7 35.0 29 21 A G E - b 0 110A 0 271,-2.5 2,-0.6 -2,-0.6 276,-0.3 -0.749 7.4-161.4 -85.8 133.1 8.0 -2.2 32.1 30 22 A L + 0 0 0 80,-2.7 82,-0.4 -2,-0.4 85,-0.1 -0.830 30.9 146.9-118.5 91.7 6.7 -3.5 28.8 31 23 A D - 0 0 18 -2,-0.6 2,-0.4 80,-0.2 80,-0.1 -0.737 26.8-169.1-124.5 73.6 8.2 -1.2 26.1 32 24 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.531 4.0-161.7 -81.4 130.1 8.8 -3.3 23.0 33 25 A D > - 0 0 29 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.419 36.3 -95.2-100.1 175.0 10.8 -1.8 20.3 34 26 A E H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.892 124.5 51.5 -57.8 -41.5 11.1 -2.7 16.6 35 27 A K H > S+ 0 0 146 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.878 107.0 53.5 -62.0 -42.3 14.2 -4.8 17.3 36 28 A D H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 112.0 44.3 -59.0 -45.0 12.5 -6.7 20.1 37 29 A I H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.929 114.5 49.4 -66.9 -45.4 9.6 -7.6 17.8 38 30 A E H X S+ 0 0 100 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.955 112.7 47.9 -54.1 -56.4 12.0 -8.5 14.9 39 31 A N H X S+ 0 0 77 -4,-3.0 4,-3.7 1,-0.2 5,-0.3 0.882 109.6 51.8 -54.3 -46.1 14.1 -10.7 17.2 40 32 A F H X S+ 0 0 6 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.952 110.4 48.9 -59.5 -46.8 11.1 -12.5 18.6 41 33 A M H X S+ 0 0 46 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.940 116.4 42.9 -59.7 -46.7 9.9 -13.3 15.1 42 34 A K H X S+ 0 0 105 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.911 114.7 48.5 -63.9 -48.6 13.3 -14.6 14.1 43 35 A N H X S+ 0 0 59 -4,-3.7 4,-1.5 2,-0.2 -1,-0.2 0.889 111.7 50.4 -59.7 -41.1 14.0 -16.5 17.4 44 36 A E H <>S+ 0 0 1 -4,-2.8 5,-3.1 -5,-0.3 4,-0.3 0.904 107.7 52.4 -67.7 -41.9 10.5 -18.2 17.1 45 37 A K H ><5S+ 0 0 82 -4,-2.1 3,-0.9 -5,-0.3 -1,-0.2 0.940 113.5 46.5 -53.3 -42.9 11.1 -19.2 13.5 46 38 A E H 3<5S+ 0 0 147 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.695 115.0 43.0 -79.2 -20.9 14.4 -20.8 14.8 47 39 A N T ><5S- 0 0 46 -4,-1.5 3,-0.6 -3,-0.3 -1,-0.2 0.146 116.4-105.1-109.2 19.6 13.0 -22.6 17.8 48 40 A N T < 5S- 0 0 99 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.852 71.0 -63.7 56.2 39.9 9.8 -23.9 16.1 49 41 A Y T 3> S+ 0 0 94 -3,-0.6 4,-1.9 -6,-0.2 5,-0.1 0.928 74.5 40.4 -44.3 -57.5 8.3 -22.7 21.3 51 43 A N H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.841 113.2 51.1 -72.8 -38.4 7.0 -19.5 23.0 52 44 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 109.0 52.9 -65.5 -38.2 4.1 -18.8 20.8 53 45 A K H X S+ 0 0 86 -4,-2.7 4,-0.6 2,-0.2 -2,-0.2 0.922 109.7 49.0 -62.8 -39.8 2.9 -22.4 21.3 54 46 A K H >X S+ 0 0 109 -4,-1.9 3,-1.3 -5,-0.2 4,-0.6 0.920 108.6 53.7 -59.7 -45.6 3.2 -21.8 25.1 55 47 A N H >< S+ 0 0 3 -4,-2.5 3,-1.3 1,-0.3 6,-0.2 0.892 103.0 57.9 -54.9 -42.3 1.2 -18.5 24.7 56 48 A L H 3< S+ 0 0 48 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.648 101.4 55.6 -67.5 -15.7 -1.6 -20.4 22.9 57 49 A K H << S+ 0 0 180 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.3 0.566 82.5 100.8 -93.3 -9.0 -2.1 -22.7 25.9 58 50 A E S X< S- 0 0 89 -3,-1.3 3,-0.8 -4,-0.6 4,-0.3 -0.584 72.0-136.4 -77.5 137.3 -2.7 -19.9 28.4 59 51 A K G > S+ 0 0 135 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.836 93.2 60.1 -67.1 -34.9 -6.4 -19.5 29.1 60 52 A Y G > S+ 0 0 61 1,-0.3 3,-2.3 2,-0.2 -1,-0.2 0.678 81.8 79.9 -78.6 -9.5 -6.8 -15.7 29.0 61 53 A I G X S+ 0 0 1 -3,-0.8 3,-1.2 1,-0.3 -1,-0.3 0.844 86.6 65.8 -58.5 -26.9 -5.6 -15.4 25.5 62 54 A N G < S+ 0 0 77 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.542 97.3 53.9 -69.3 -8.1 -9.2 -16.4 24.8 63 55 A N G < S+ 0 0 76 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.302 74.8 119.1-112.5 7.1 -10.5 -13.2 26.3 64 56 A V < - 0 0 7 -3,-1.2 4,-0.2 -4,-0.2 65,-0.1 -0.469 57.3-139.3 -73.3 155.2 -8.6 -10.5 24.3 65 57 A S S S+ 0 0 77 60,-0.1 2,-0.6 63,-0.1 3,-0.3 0.832 72.0 66.7 -82.0 -43.3 -10.8 -8.1 22.4 66 58 A I S S- 0 0 35 59,-0.2 5,-0.1 1,-0.2 -1,-0.1 -0.780 116.5 -27.8-105.2 121.5 -9.1 -7.5 19.0 67 59 A K S > S+ 0 0 66 -2,-0.6 4,-2.0 1,-0.1 3,-0.3 0.861 72.1 161.4 53.9 39.1 -8.6 -10.0 16.2 68 60 A K H > + 0 0 82 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.891 69.6 61.3 -56.7 -40.2 -8.5 -12.9 18.7 69 61 A D H 4 S+ 0 0 104 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.915 106.7 45.3 -50.9 -46.8 -9.2 -15.3 15.8 70 62 A I H >4 S+ 0 0 9 -3,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.902 110.7 52.9 -66.2 -44.4 -6.0 -14.3 14.2 71 63 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 105.5 55.3 -64.8 -27.3 -4.0 -14.5 17.5 72 64 A L T 3< S+ 0 0 60 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.518 86.7 106.4 -83.0 -7.8 -5.2 -18.0 18.1 73 65 A K S < S- 0 0 64 -3,-1.4 5,-0.0 -4,-0.4 -17,-0.0 -0.392 83.6 -99.9 -68.9 150.8 -3.9 -19.2 14.7 74 66 A A >> - 0 0 48 1,-0.1 4,-1.6 -2,-0.1 3,-0.7 -0.472 34.7-119.5 -65.7 139.3 -0.8 -21.4 14.5 75 67 A P H 3> S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.860 110.9 53.8 -54.6 -40.6 2.2 -19.2 13.5 76 68 A D H 3> S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.859 107.9 52.5 -64.9 -32.3 3.0 -21.1 10.3 77 69 A N H <>>S+ 0 0 50 -3,-0.7 4,-2.8 2,-0.2 5,-0.7 0.819 105.4 54.2 -70.9 -33.7 -0.6 -20.5 9.1 78 70 A I H X5S+ 0 0 0 -4,-1.6 4,-1.8 3,-0.2 7,-0.3 0.941 108.0 50.1 -58.6 -49.1 -0.3 -16.8 9.8 79 71 A I H <5S+ 0 0 44 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.918 123.6 28.8 -62.4 -41.8 2.8 -16.6 7.6 80 72 A R H <5S+ 0 0 182 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.800 133.8 27.6 -88.8 -30.2 1.2 -18.4 4.7 81 73 A E H <5S+ 0 0 106 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.679 130.1 30.4-107.3 -21.7 -2.6 -17.5 5.1 82 74 A E ><< + 0 0 59 -4,-1.8 3,-2.1 -5,-0.7 4,-0.3 -0.344 64.7 151.9-135.1 53.6 -2.6 -14.2 6.9 83 75 A K G > S+ 0 0 125 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.831 71.9 59.7 -56.7 -34.4 0.6 -12.4 5.8 84 76 A S G 3 S+ 0 0 117 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.559 105.4 51.1 -76.0 -5.8 -0.9 -8.9 6.2 85 77 A E G <> S+ 0 0 35 -3,-2.1 4,-3.0 -7,-0.3 -1,-0.3 0.373 79.5 103.3-102.4 3.3 -1.4 -9.8 9.9 86 78 A E H <> S+ 0 0 32 -3,-1.4 4,-2.8 -4,-0.3 5,-0.2 0.891 81.7 44.2 -53.9 -50.0 2.2 -11.0 10.5 87 79 A F H > S+ 0 0 69 -4,-0.3 4,-2.9 2,-0.2 5,-0.3 0.950 114.6 48.9 -65.3 -49.8 3.4 -7.9 12.3 88 80 A F H > S+ 0 0 3 -4,-0.2 4,-2.7 1,-0.2 5,-0.3 0.925 113.8 49.1 -47.9 -52.1 0.2 -7.6 14.5 89 81 A Y H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.953 115.2 40.1 -59.7 -52.4 0.5 -11.3 15.4 90 82 A F H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.874 115.5 51.9 -69.3 -35.0 4.2 -11.3 16.3 91 83 A F H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.957 113.8 43.8 -60.7 -51.2 4.0 -7.9 18.2 92 84 A N H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.872 114.2 50.7 -67.4 -35.8 1.1 -9.1 20.3 93 85 A H H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.845 105.1 55.5 -70.3 -32.4 2.7 -12.5 20.9 94 86 A F H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.932 110.3 47.4 -61.7 -44.3 6.0 -11.0 22.1 95 87 A C H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.929 112.2 47.6 -63.3 -46.8 3.9 -9.0 24.7 96 88 A F H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.889 111.0 53.7 -60.3 -40.2 2.0 -12.1 25.8 97 89 A Y H X S+ 0 0 31 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.955 110.0 45.4 -57.7 -51.9 5.3 -14.0 26.0 98 90 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.922 115.0 48.5 -58.6 -48.2 6.9 -11.4 28.3 99 91 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.910 113.1 47.1 -58.7 -47.9 3.7 -11.2 30.4 100 92 A N H < S+ 0 0 30 -4,-3.3 4,-0.3 1,-0.2 -1,-0.2 0.908 114.4 46.8 -60.5 -41.6 3.5 -15.0 30.8 101 93 A E H < S+ 0 0 32 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.798 127.3 22.7 -71.5 -27.0 7.2 -15.4 31.6 102 94 A T H >< S+ 0 0 0 -4,-1.6 3,-2.1 -5,-0.2 4,-0.3 0.567 87.4 97.9-121.3 -10.2 7.3 -12.7 34.2 103 95 A N G >< S+ 0 0 32 -4,-2.1 3,-1.6 1,-0.3 -3,-0.1 0.784 76.3 66.2 -62.8 -27.5 3.9 -11.8 35.7 104 96 A K G 3 S+ 0 0 119 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.690 106.3 44.1 -70.0 -13.5 4.3 -14.0 38.8 105 97 A Y G < S+ 0 0 23 -3,-2.1 2,-0.5 -80,-0.0 -79,-0.3 0.403 97.1 96.7-101.7 -2.0 7.1 -11.6 40.0 106 98 A A < - 0 0 0 -3,-1.6 -79,-0.2 -4,-0.3 3,-0.1 -0.797 46.4-173.1-102.7 121.8 5.3 -8.3 39.1 107 99 A L S S- 0 0 0 -81,-2.7 2,-0.3 -2,-0.5 -80,-0.2 0.887 84.8 -11.2 -70.2 -34.5 3.4 -6.1 41.4 108 100 A T E -b 27 0A 0 -82,-1.2 -80,-2.5 31,-0.1 2,-0.4 -0.969 63.9-129.2-156.5 161.4 2.3 -4.1 38.4 109 101 A F E -bc 28 141A 0 31,-1.8 33,-2.1 -2,-0.3 2,-0.5 -0.967 15.7-157.0-116.5 140.2 3.1 -3.7 34.7 110 102 A K E -bc 29 142A 7 -82,-2.3 -80,-2.7 -2,-0.4 2,-0.5 -0.977 5.4-165.8-117.8 122.1 3.8 -0.3 33.1 111 103 A M E - c 0 143A 0 31,-2.5 33,-2.8 -2,-0.5 2,-0.7 -0.921 13.5-143.7-106.9 121.2 3.3 0.1 29.3 112 104 A N E > - c 0 144A 2 -2,-0.5 3,-1.8 -82,-0.4 4,-0.4 -0.773 7.3-146.6 -89.7 117.7 4.8 3.2 27.8 113 105 A F G >> S+ 0 0 0 31,-2.0 3,-1.9 -2,-0.7 4,-0.8 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20.1-117.9-139.2 157.5 -8.8 7.2 39.0 195 187 A S E +e 169 0A 0 -27,-1.1 -25,-0.8 -2,-0.3 2,-0.3 -0.689 29.2 174.9-102.6 152.2 -5.2 7.2 40.0 196 188 A A E -ef 170 245A 0 48,-1.8 50,-2.9 -2,-0.3 2,-0.5 -0.978 25.8-138.6-144.8 160.7 -2.2 8.9 38.4 197 189 A F E -ef 171 246A 0 -27,-2.6 -25,-2.1 -2,-0.3 2,-0.3 -0.993 23.5-150.4-118.4 127.2 1.5 9.5 39.0 198 190 A V E -ef 172 247A 0 48,-2.9 50,-3.1 -2,-0.5 2,-0.3 -0.725 26.7-101.9 -94.5 145.5 2.8 13.0 38.2 199 191 A L E + f 0 248A 1 -27,-2.1 -25,-0.3 -2,-0.3 50,-0.1 -0.492 52.1 154.3 -65.3 127.8 6.3 13.7 37.1 200 192 A V E + 0 0 0 48,-2.0 2,-0.4 1,-0.3 49,-0.2 0.699 69.4 2.0-118.1 -58.1 8.4 15.0 39.9 201 193 A K E S- f 0 249A 14 47,-2.1 49,-2.3 21,-0.1 -1,-0.3 -0.991 75.2-157.4-136.6 123.2 12.1 14.2 39.3 202 194 A T - 0 0 5 -2,-0.4 5,-0.1 47,-0.2 69,-0.0 -0.558 21.4-123.8-107.4 168.0 13.1 12.5 36.0 203 195 A T + 0 0 9 -2,-0.2 75,-0.2 3,-0.1 -1,-0.1 0.532 68.9 114.7 -90.1 -9.7 16.0 10.3 34.9 204 196 A N S > S- 0 0 13 1,-0.1 3,-1.9 2,-0.1 4,-0.1 -0.354 76.9-116.6 -65.8 147.8 17.2 12.2 31.9 205 197 A P T 3 S+ 0 0 128 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.736 112.0 46.9 -65.2 -22.4 20.7 13.7 32.5 206 198 A D T > S+ 0 0 23 1,-0.2 3,-2.0 2,-0.1 4,-0.3 0.137 73.5 120.3-100.4 19.1 19.6 17.4 32.2 207 199 A S T X> + 0 0 6 -3,-1.9 4,-1.3 1,-0.3 3,-0.7 0.716 62.9 68.0 -59.0 -22.5 16.6 17.0 34.5 208 200 A A H 3>>S+ 0 0 34 -3,-0.3 5,-2.4 1,-0.2 4,-1.5 0.747 76.0 84.9 -67.2 -20.9 17.9 19.6 36.9 209 201 A I H <45S+ 0 0 34 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.785 114.9 3.3 -61.4 -31.3 17.4 22.5 34.5 210 202 A F H <>5S+ 0 0 0 -3,-0.7 4,-1.2 290,-0.3 11,-0.3 0.721 130.8 54.8-112.5 -43.1 13.8 23.0 35.4 211 203 A Q H <5S+ 0 0 0 -4,-1.3 11,-2.3 289,-0.3 12,-0.3 0.735 126.2 18.3 -69.3 -25.7 13.0 20.6 38.2 212 204 A K T <5S+ 0 0 54 -4,-1.5 9,-0.2 -5,-0.3 -3,-0.2 0.782 123.5 50.7-109.3 -43.5 15.8 21.7 40.5 213 205 A N T 4 S-J 219 0C 40 3,-2.2 3,-1.6 -2,-0.3 323,-0.1 -0.932 75.9 -7.7-150.4 134.5 9.5 29.3 44.8 217 209 A D T 3 S- 0 0 124 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.891 128.6 -50.4 50.3 48.3 9.5 30.2 48.6 218 210 A N T 3 S+ 0 0 170 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.680 117.2 111.4 61.9 24.1 12.7 28.4 49.4 219 211 A K E < -J 216 0C 85 -3,-1.6 -3,-2.2 4,-0.0 -1,-0.2 -0.977 68.2-120.8-128.4 135.9 11.5 25.2 47.6 220 212 A Q E >> -J 215 0C 70 -2,-0.4 4,-2.1 -5,-0.2 3,-1.0 -0.368 35.8-105.2 -70.4 156.1 12.8 23.6 44.4 221 213 A A H 3> S+ 0 0 0 -7,-2.3 4,-3.1 -11,-0.3 5,-0.3 0.870 119.9 58.7 -54.1 -38.4 10.3 23.2 41.6 222 214 A Y H 3> S+ 0 0 10 -11,-2.3 4,-2.2 -8,-0.2 -1,-0.3 0.880 107.7 46.5 -62.7 -33.8 10.0 19.4 42.1 223 215 A V H <> S+ 0 0 7 -3,-1.0 4,-2.6 -12,-0.3 -1,-0.2 0.922 112.3 50.2 -69.8 -44.1 8.9 20.1 45.7 224 216 A I H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.924 113.1 46.7 -56.3 -47.7 6.4 22.8 44.6 225 217 A M H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.920 111.5 50.4 -67.0 -42.1 5.0 20.4 42.0 226 218 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.926 111.7 48.6 -58.9 -45.7 4.8 17.4 44.4 227 219 A Q H X S+ 0 0 69 -4,-2.6 4,-2.3 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4,-0.2 -4,-0.5 65,-0.1 -0.361 57.0-146.3 -66.9 150.9 -5.4 8.3 1.1 390 57 B S + 0 0 73 1,-0.1 2,-0.6 2,-0.1 -1,-0.1 0.579 68.6 75.5-101.1 -11.9 -3.8 5.0 2.1 391 58 B I S S- 0 0 39 1,-0.2 5,-0.1 59,-0.2 -1,-0.1 -0.913 115.6 -28.0-116.9 116.3 -6.1 3.5 4.7 392 59 B K S > S+ 0 0 75 -2,-0.6 4,-2.1 1,-0.1 3,-0.5 0.843 74.4 161.9 53.9 40.0 -9.4 1.9 3.9 393 60 B K H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.893 70.3 57.6 -54.4 -41.3 -9.8 4.0 0.8 394 61 B D H 4 S+ 0 0 121 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.847 106.9 47.6 -61.8 -37.8 -12.4 1.6 -0.6 395 62 B I H >4 S+ 0 0 21 -3,-0.5 3,-1.3 1,-0.2 -1,-0.2 0.917 111.3 50.6 -64.9 -46.9 -14.6 2.1 2.5 396 63 B L H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.821 106.6 56.0 -62.5 -30.8 -14.3 5.9 2.3 397 64 B L T 3< S+ 0 0 63 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.533 87.1 103.4 -80.5 -8.7 -15.3 5.9 -1.4 398 65 B K S < S- 0 0 83 -3,-1.3 -3,-0.0 -4,-0.3 -17,-0.0 -0.343 85.0 -96.2 -71.2 154.2 -18.6 4.1 -0.7 399 66 B A >> - 0 0 34 1,-0.1 4,-1.6 -2,-0.0 3,-0.9 -0.502 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