==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-NOV-04 1Y1X . COMPND 2 MOLECULE: LEISHMANIA MAJOR HOMOLOG OF PROGRAMMED CELL DEATH . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR M.A.ROBIEN,W.G.J.HOL,STRUCTURAL GENOMICS OF PATHOGENIC PROTO . 356 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.1 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 . 2 0.6 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 . 16 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 46.6 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+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 0 0 0 0 4 2 0 6 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 6 0 0 0 1 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 . 1 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 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 10 A P 0 0 76 0, 0.0 47,-3.1 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 145.7 93.0 35.0 25.5 2 11 A T + 0 0 139 45,-0.2 2,-0.3 46,-0.1 45,-0.2 0.462 360.0 53.5-107.4 -8.7 96.0 34.6 23.0 3 12 A S S S- 0 0 90 43,-0.1 2,-0.4 39,-0.1 45,-0.1 -0.946 84.1-120.0-124.6 148.5 97.1 31.2 24.2 4 13 A T - 0 0 47 -2,-0.3 42,-0.3 42,-0.2 39,-0.1 -0.744 31.9-124.8 -90.4 136.4 95.0 28.0 24.6 5 14 A G > - 0 0 12 40,-3.1 3,-1.5 -2,-0.4 38,-0.2 -0.271 21.3-108.7 -82.2 163.3 94.8 26.5 28.1 6 15 A V T 3 S+ 0 0 25 1,-0.3 8,-0.3 20,-0.1 38,-0.1 0.754 116.4 51.9 -66.5 -20.1 95.7 23.0 29.0 7 16 A Y T 3 S+ 0 0 0 36,-2.4 -1,-0.3 33,-0.1 37,-0.2 0.364 73.7 122.1 -99.9 0.4 92.1 22.1 29.5 8 17 A A S X S- 0 0 2 -3,-1.5 3,-1.4 35,-0.6 37,-0.1 -0.415 80.3-101.5 -58.8 143.5 90.6 23.2 26.2 9 18 A P T 3 S+ 0 0 14 0, 0.0 82,-0.1 0, 0.0 -1,-0.1 0.746 113.4 21.3 -42.3 -48.0 88.9 20.2 24.5 10 19 A S T 3 S+ 0 0 96 80,-0.1 2,-0.1 81,-0.0 -2,-0.1 0.288 87.0 132.8-110.8 7.8 91.7 19.2 21.9 11 20 A A < - 0 0 15 -3,-1.4 3,-0.2 -6,-0.1 -6,-0.0 -0.390 32.3-174.9 -56.7 131.7 94.7 20.9 23.6 12 21 A R + 0 0 218 1,-0.1 -1,-0.1 -2,-0.1 -6,-0.1 -0.107 50.5 116.0-122.6 28.9 97.6 18.4 23.6 13 22 A H S S+ 0 0 125 -8,-0.2 2,-0.3 -7,-0.1 -1,-0.1 0.844 91.1 19.6 -59.3 -36.9 99.9 20.7 25.6 14 23 A M S S- 0 0 25 -8,-0.3 2,-0.4 -3,-0.2 -1,-0.1 -0.911 86.2-118.8-129.5 158.2 99.6 18.0 28.2 15 24 A N > - 0 0 83 -2,-0.3 3,-2.5 1,-0.1 -3,-0.1 -0.853 18.3-129.9-101.2 134.2 98.6 14.3 28.0 16 25 A D T 3 S+ 0 0 50 -2,-0.4 -1,-0.1 1,-0.3 68,-0.1 0.717 107.9 61.1 -50.5 -26.2 95.5 13.0 29.9 17 26 A N T 3 S+ 0 0 132 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.511 80.4 114.2 -83.6 -7.2 97.7 10.2 31.3 18 27 A Q S < S- 0 0 63 -3,-2.5 5,-0.1 1,-0.1 -4,-0.0 -0.297 80.7 -80.0 -67.5 151.8 100.2 12.6 33.1 19 28 A E >> - 0 0 142 1,-0.1 4,-1.6 3,-0.1 3,-0.5 -0.062 37.5-121.3 -56.9 145.6 100.5 12.6 36.9 20 29 A L H 3> S+ 0 0 34 1,-0.3 4,-2.7 2,-0.2 -1,-0.1 0.853 110.9 54.9 -59.8 -38.3 97.9 14.6 38.7 21 30 A M H 3> S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.818 101.9 57.4 -66.6 -33.8 100.4 17.0 40.3 22 31 A E H <> S+ 0 0 93 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.967 111.7 42.7 -59.8 -48.6 101.8 17.9 36.9 23 32 A W H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.898 112.6 53.8 -59.3 -44.0 98.3 19.0 35.9 24 33 A F H X S+ 0 0 9 -4,-2.7 4,-2.8 1,-0.2 3,-0.4 0.947 111.5 44.7 -58.9 -48.5 97.7 20.8 39.3 25 34 A R H < S+ 0 0 181 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.814 107.8 57.7 -69.1 -29.3 100.9 22.8 39.0 26 35 A A H < S+ 0 0 39 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.823 116.9 35.5 -67.2 -34.1 100.2 23.7 35.3 27 36 A V H < S+ 0 0 4 -4,-1.6 2,-1.9 -3,-0.4 -2,-0.2 0.794 106.3 68.5 -86.8 -33.9 96.9 25.2 36.5 28 37 A D >< + 0 0 10 -4,-2.8 3,-1.8 -5,-0.2 -1,-0.2 -0.513 65.2 168.7 -85.4 73.6 98.2 26.6 39.8 29 38 A T T 3 + 0 0 111 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.675 68.2 52.0 -72.6 -18.4 100.3 29.1 38.1 30 39 A D T 3 S- 0 0 104 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.436 103.5-126.3 -92.8 -1.2 101.2 31.2 41.2 31 40 A G < + 0 0 63 -3,-1.8 -2,-0.1 -6,-0.2 4,-0.1 0.752 65.8 137.7 65.3 26.2 102.4 28.2 43.1 32 41 A S S S- 0 0 65 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.633 70.7-114.2 -81.1 -16.4 100.0 29.0 46.0 33 42 A G S S+ 0 0 40 1,-0.2 40,-0.5 -5,-0.1 2,-0.3 0.512 89.4 70.9 90.7 5.6 98.9 25.4 46.5 34 43 A A S S- 0 0 9 38,-0.2 2,-0.5 39,-0.1 -2,-0.3 -0.979 78.0-121.7-147.0 145.8 95.2 26.0 45.5 35 44 A I B -A 71 0A 0 36,-3.2 36,-2.6 -2,-0.3 2,-0.2 -0.745 28.0-157.0 -87.1 125.7 93.6 26.7 42.2 36 45 A S > - 0 0 16 -2,-0.5 4,-2.6 34,-0.2 5,-0.2 -0.530 32.1-102.4 -88.4 166.5 91.5 29.9 42.0 37 46 A V H > S+ 0 0 26 32,-0.4 4,-3.1 2,-0.2 5,-0.1 0.918 122.6 48.9 -49.8 -55.6 88.7 30.8 39.6 38 47 A P H > S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.889 111.9 49.7 -55.3 -41.5 91.0 32.9 37.3 39 48 A E H > S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.920 113.3 45.5 -60.4 -44.7 93.6 30.1 37.2 40 49 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 5,-0.2 0.935 111.8 54.5 -68.4 -39.1 90.9 27.5 36.3 41 50 A N H X S+ 0 0 31 -4,-3.1 4,-1.3 -5,-0.2 10,-0.2 0.906 105.0 51.1 -55.0 -48.6 89.5 30.0 33.7 42 51 A A H < S+ 0 0 63 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.891 109.5 51.9 -58.4 -38.3 92.9 30.4 32.0 43 52 A A H < S+ 0 0 7 -4,-1.6 -36,-2.4 1,-0.2 -35,-0.6 0.827 112.7 44.3 -66.4 -36.3 93.2 26.6 31.7 44 53 A L H < S+ 0 0 3 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.626 97.1 93.4 -83.6 -18.9 89.8 26.1 30.2 45 54 A S < - 0 0 4 -4,-1.3 -40,-3.1 -3,-0.3 2,-0.3 -0.332 60.6-148.9 -80.4 154.9 90.1 29.0 27.7 46 55 A S B > -B 49 0B 33 3,-2.3 3,-2.7 -42,-0.3 -42,-0.2 -0.895 39.2 -78.0-115.9 155.9 91.3 28.8 24.0 47 56 A A T 3 S+ 0 0 51 -2,-0.3 -45,-0.2 1,-0.3 -43,-0.1 -0.304 121.4 1.9 -49.1 120.2 93.1 31.3 21.9 48 57 A G T 3 S+ 0 0 65 -47,-3.1 -1,-0.3 -45,-0.1 -46,-0.1 0.439 118.9 89.9 77.2 0.4 90.5 33.8 20.7 49 58 A V B < -B 46 0B 86 -3,-2.7 -3,-2.3 -48,-0.1 2,-0.1 -0.829 62.8-157.8-134.9 93.0 87.7 32.0 22.7 50 59 A P - 0 0 89 0, 0.0 2,-0.4 0, 0.0 -8,-0.1 -0.455 16.2-133.4 -68.6 141.4 87.2 33.1 26.3 51 60 A F - 0 0 12 -10,-0.2 -6,-0.1 -2,-0.1 -7,-0.1 -0.810 37.2 -89.0 -97.0 138.3 85.5 30.5 28.6 52 61 A S > - 0 0 25 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.224 24.7-149.9 -54.5 130.5 82.6 31.8 30.7 53 62 A L H > S+ 0 0 94 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.921 98.8 52.0 -64.8 -46.3 83.5 33.2 34.1 54 63 A A H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 110.2 48.4 -57.4 -41.9 80.2 32.1 35.6 55 64 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.887 110.4 51.8 -67.0 -39.2 80.6 28.6 34.3 56 65 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.954 111.2 48.8 -58.5 -46.3 84.2 28.5 35.8 57 66 A E H X S+ 0 0 98 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.908 111.6 47.9 -57.2 -46.1 82.7 29.7 39.1 58 67 A K H X S+ 0 0 59 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.895 112.3 49.1 -66.0 -42.1 80.0 27.0 39.1 59 68 A L H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.925 113.4 45.6 -62.6 -47.4 82.4 24.3 38.2 60 69 A L H >X S+ 0 0 6 -4,-2.5 3,-1.4 1,-0.2 4,-1.3 0.937 109.9 53.9 -63.0 -49.1 84.9 25.2 40.9 61 70 A H H 3< S+ 0 0 116 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.869 100.1 63.6 -52.5 -42.2 82.2 25.6 43.6 62 71 A M H 3< S+ 0 0 40 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.778 115.0 29.8 -49.8 -36.3 81.0 22.1 42.8 63 72 A Y H << S+ 0 0 39 -3,-1.4 2,-2.3 -4,-0.7 -1,-0.2 0.450 88.7 103.2-107.4 -5.8 84.4 20.6 43.9 64 73 A D >< + 0 0 4 -4,-1.3 3,-1.8 -3,-0.4 5,-0.1 -0.502 48.1 173.2 -78.7 76.2 85.3 23.2 46.6 65 74 A K T 3 S+ 0 0 127 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.795 73.1 42.1 -64.0 -34.4 84.3 20.8 49.3 66 75 A N T 3 S- 0 0 99 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.235 106.3-123.8 -98.6 13.2 85.5 22.9 52.3 67 76 A H < + 0 0 78 -3,-1.8 -2,-0.1 -6,-0.2 -6,-0.0 0.775 66.0 136.6 55.9 38.4 84.2 26.2 50.8 68 77 A S S S- 0 0 71 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.516 72.2-115.9 -86.9 -10.8 87.5 28.1 50.8 69 78 A G S S+ 0 0 41 1,-0.2 -32,-0.4 -5,-0.1 2,-0.3 0.301 89.1 72.7 90.8 -7.9 86.8 29.5 47.3 70 79 A E S S- 0 0 71 -34,-0.1 2,-0.6 -9,-0.1 -2,-0.4 -0.918 82.1-111.5-135.8 163.6 89.8 27.7 45.8 71 80 A I B -A 35 0A 0 -36,-2.6 -36,-3.2 -2,-0.3 2,-0.2 -0.852 26.5-161.1-104.6 116.5 90.7 24.1 44.9 72 81 A T > - 0 0 38 -2,-0.6 4,-1.7 -38,-0.3 3,-0.4 -0.466 38.2 -98.1 -91.9 166.3 93.3 22.3 46.9 73 82 A F H > S+ 0 0 77 -40,-0.5 4,-1.0 1,-0.3 -1,-0.1 0.823 123.7 55.7 -61.1 -33.4 95.1 19.1 45.6 74 83 A D H 4 S+ 0 0 118 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.930 113.7 41.2 -60.2 -44.6 92.8 16.8 47.5 75 84 A E H > S+ 0 0 13 -3,-0.4 4,-1.1 1,-0.2 3,-0.3 0.701 102.5 72.2 -72.6 -23.6 89.8 18.5 45.9 76 85 A F H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 5,-0.3 0.843 80.0 73.6 -67.7 -29.7 91.5 18.6 42.5 77 86 A K H X S+ 0 0 123 -4,-1.0 4,-1.9 -3,-0.4 -1,-0.2 0.914 103.8 36.1 -52.8 -51.2 91.2 14.8 41.8 78 87 A D H > S+ 0 0 102 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.855 116.8 53.5 -77.7 -28.2 87.5 14.8 41.1 79 88 A L H X S+ 0 0 0 -4,-1.1 4,-2.9 2,-0.2 -2,-0.2 0.961 110.1 48.3 -64.8 -50.7 87.5 18.2 39.3 80 89 A H H X S+ 0 0 3 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.912 112.2 47.4 -52.3 -52.6 90.3 17.1 37.0 81 90 A H H X S+ 0 0 102 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.937 113.2 48.8 -62.2 -40.9 88.6 13.8 36.1 82 91 A F H X S+ 0 0 36 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.924 111.3 49.4 -63.1 -44.0 85.3 15.5 35.5 83 92 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.935 109.9 52.3 -63.6 -40.7 87.0 18.2 33.3 84 93 A L H X S+ 0 0 16 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.869 108.8 50.2 -62.7 -38.9 88.7 15.4 31.3 85 94 A S H X S+ 0 0 64 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.914 111.9 48.2 -62.7 -41.8 85.4 13.7 30.7 86 95 A M H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.911 110.6 49.8 -67.8 -39.8 83.9 16.9 29.5 87 96 A R H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.913 113.9 46.7 -60.9 -42.9 86.8 17.7 27.2 88 97 A E H X S+ 0 0 113 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.935 112.7 47.8 -68.2 -48.9 86.5 14.1 25.7 89 98 A G H X S+ 0 0 16 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.903 114.3 49.0 -54.5 -43.6 82.7 14.2 25.3 90 99 A F H >X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 3,-0.6 0.953 111.3 45.8 -67.0 -48.1 83.0 17.6 23.6 91 100 A R H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.857 109.9 56.2 -70.5 -30.1 85.7 16.8 21.1 92 101 A K H 3< S+ 0 0 146 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.816 115.5 38.0 -61.8 -34.2 83.9 13.5 20.2 93 102 A R H << S+ 0 0 49 -4,-1.3 2,-1.5 -3,-0.6 -2,-0.2 0.701 93.2 86.9 -92.4 -25.4 80.8 15.5 19.3 94 103 A D >< + 0 0 19 -4,-2.2 3,-0.6 1,-0.2 7,-0.1 -0.619 56.9 177.4 -76.5 89.8 82.4 18.6 17.7 95 104 A S T 3 S+ 0 0 102 -2,-1.5 -1,-0.2 1,-0.2 6,-0.1 0.881 73.2 42.7 -67.8 -38.9 82.6 17.1 14.2 96 105 A S T 3 S- 0 0 87 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.521 101.3-124.7 -84.7 -10.7 84.1 20.1 12.4 97 106 A G S < S+ 0 0 64 -3,-0.6 -2,-0.1 3,-0.2 -87,-0.0 0.747 72.4 128.0 66.3 26.7 86.7 21.1 15.1 98 107 A D S S- 0 0 97 2,-0.3 3,-0.1 0, 0.0 -1,-0.1 0.385 80.2-112.2 -92.0 3.1 85.2 24.6 15.2 99 108 A G S S+ 0 0 34 1,-0.3 40,-0.4 -5,-0.1 2,-0.3 0.589 88.0 96.1 75.9 11.5 84.7 24.6 19.0 100 109 A R - 0 0 18 38,-0.2 2,-0.5 39,-0.1 -2,-0.3 -0.941 65.2-141.2-126.6 152.4 80.9 24.6 18.7 101 110 A L B -C 137 0C 0 36,-2.2 36,-1.9 -2,-0.3 -7,-0.1 -0.959 22.0-139.1-108.3 126.0 78.3 21.8 18.8 102 111 A D > - 0 0 80 -2,-0.5 4,-2.3 34,-0.2 5,-0.2 -0.200 34.7 -93.5 -76.0 176.4 75.5 22.2 16.3 103 112 A S H > S+ 0 0 41 32,-0.4 4,-2.7 1,-0.2 5,-0.2 0.898 126.2 50.8 -65.9 -36.2 72.0 21.3 17.4 104 113 A N H > S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.854 109.4 51.9 -68.4 -35.4 72.1 17.7 16.1 105 114 A E H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 112.0 46.6 -62.5 -40.5 75.4 17.2 17.9 106 115 A V H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.899 110.0 52.2 -68.7 -42.2 73.8 18.5 21.1 107 116 A R H X S+ 0 0 46 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.895 110.7 50.1 -57.5 -40.4 70.7 16.3 20.5 108 117 A A H X S+ 0 0 37 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.936 108.4 50.7 -64.1 -46.4 73.2 13.4 20.2 109 118 A A H < S+ 0 0 26 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.892 115.9 43.6 -61.0 -36.8 75.0 14.2 23.4 110 119 A L H >< S+ 0 0 10 -4,-2.2 3,-0.9 1,-0.2 5,-0.4 0.923 116.9 41.4 -71.9 -49.4 71.6 14.4 25.2 111 120 A L H >< S+ 0 0 84 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.675 94.0 84.0 -78.2 -17.7 69.9 11.2 23.8 112 121 A S T 3< S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.658 81.3 65.3 -55.1 -23.9 73.1 9.2 24.1 113 122 A S T < S- 0 0 46 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.809 112.4-116.0 -68.3 -33.0 72.3 8.5 27.7 114 123 A G S < S+ 0 0 69 -3,-1.5 2,-0.5 1,-0.4 -2,-0.1 0.302 76.1 127.9 103.5 -7.0 69.2 6.5 26.9 115 124 A Y - 0 0 55 -5,-0.4 2,-0.5 232,-0.1 -1,-0.4 -0.754 60.1-127.0 -82.7 126.7 66.9 9.0 28.5 116 125 A Q + 0 0 162 -2,-0.5 2,-0.4 -3,-0.1 232,-0.2 -0.617 32.1 172.8 -79.9 121.4 64.2 10.2 26.2 117 126 A V - 0 0 15 -2,-0.5 2,-0.1 230,-0.1 231,-0.0 -0.991 26.1-126.7-126.2 137.7 63.6 13.9 25.6 118 127 A S > - 0 0 45 -2,-0.4 4,-2.6 1,-0.1 5,-0.1 -0.290 24.5-110.9 -75.1 164.3 61.2 15.4 23.0 119 128 A E H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.884 119.4 54.0 -63.0 -37.4 62.1 17.9 20.3 120 129 A Q H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 109.7 47.0 -64.0 -40.0 60.1 20.6 22.1 121 130 A T H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.918 110.2 54.0 -67.1 -42.4 62.0 20.0 25.3 122 131 A F H X S+ 0 0 7 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.911 106.1 51.6 -50.8 -49.5 65.3 20.1 23.3 123 132 A Q H X S+ 0 0 101 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.892 109.7 49.7 -58.6 -40.1 64.3 23.5 21.9 124 133 A A H X S+ 0 0 32 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.877 112.1 48.9 -68.6 -33.6 63.7 24.7 25.5 125 134 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.930 110.7 49.7 -69.2 -45.1 67.2 23.3 26.5 126 135 A M H X S+ 0 0 16 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.941 108.5 53.8 -58.8 -43.7 68.9 24.9 23.6 127 136 A R H < S+ 0 0 185 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.887 112.9 42.6 -61.0 -39.3 67.3 28.2 24.4 128 137 A K H < S+ 0 0 74 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.881 122.8 36.6 -72.8 -36.1 68.6 28.1 28.0 129 138 A F H < S+ 0 0 10 -4,-2.3 2,-2.0 1,-0.1 3,-0.2 0.674 93.5 82.7 -95.7 -21.5 72.1 26.9 27.2 130 139 A D >< + 0 0 18 -4,-2.6 3,-1.4 -5,-0.3 -1,-0.1 -0.588 57.9 170.1 -81.1 74.6 72.9 28.7 24.0 131 140 A R T 3 S+ 0 0 95 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.819 72.7 48.3 -66.0 -30.0 73.9 31.8 25.9 132 141 A Q T 3 S- 0 0 98 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.518 106.2-127.8 -86.8 -3.4 75.3 33.7 22.9 133 142 A R < + 0 0 162 -3,-1.4 -2,-0.1 -7,-0.1 4,-0.1 0.911 66.8 132.3 59.7 47.1 72.2 32.9 20.9 134 143 A R S S- 0 0 147 2,-0.5 3,-0.1 0, 0.0 -1,-0.1 0.417 76.2-111.6-105.7 -2.5 74.2 31.4 18.0 135 144 A G S S+ 0 0 45 1,-0.3 -32,-0.4 -5,-0.1 2,-0.3 0.563 94.6 72.0 76.9 9.8 72.3 28.2 17.4 136 145 A S S S- 0 0 15 -34,-0.1 -2,-0.5 -10,-0.1 2,-0.4 -0.927 77.9-119.7-145.9 163.8 75.3 26.2 18.7 137 146 A L B -C 101 0C 1 -36,-1.9 -36,-2.2 -2,-0.3 -7,-0.1 -0.945 17.3-149.5-113.7 135.5 77.0 25.6 22.0 138 147 A G > - 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0 0 22 38,-0.1 2,-0.5 39,-0.1 -2,-0.3 -0.977 66.6-138.9-127.9 145.4 69.2 38.8 57.7 277 110 B L B -G 313 0G 0 36,-2.7 36,-2.5 -2,-0.3 -7,-0.1 -0.924 20.2-143.4 -98.9 125.5 66.5 36.2 58.0 278 111 B D > - 0 0 77 -2,-0.5 4,-2.4 34,-0.2 3,-0.3 -0.287 35.1 -90.8 -76.4 172.4 67.3 33.4 60.6 279 112 B S H > S+ 0 0 34 32,-0.5 4,-3.0 1,-0.2 5,-0.2 0.920 127.3 48.9 -51.5 -49.2 66.3 29.9 60.0 280 113 B N H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.851 111.6 51.5 -61.9 -33.8 62.8 30.2 61.6 281 114 B E H > S+ 0 0 23 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.868 110.9 46.2 -71.7 -36.2 62.2 33.3 59.6 282 115 B V H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.906 110.8 53.6 -70.2 -41.8 63.1 31.6 56.3 283 116 B R H X S+ 0 0 51 -4,-3.0 4,-2.4 -5,-0.3 5,-0.2 0.914 109.1 50.2 -55.3 -41.6 60.9 28.6 57.4 284 117 B A H X S+ 0 0 39 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.902 110.2 48.3 -67.7 -39.1 58.1 31.1 57.9 285 118 B A H < S+ 0 0 22 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.935 115.5 45.9 -60.1 -46.5 58.6 32.7 54.4 286 119 B L H >< S+ 0 0 7 -4,-2.6 3,-0.6 1,-0.2 5,-0.4 0.897 117.5 40.2 -64.3 -45.7 58.6 29.3 52.8 287 120 B L H >< S+ 0 0 86 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.592 94.7 79.5 -88.2 -16.8 55.6 27.8 54.6 288 121 B S T 3< S+ 0 0 74 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.723 83.6 68.4 -60.1 -23.1 53.5 31.0 54.4 289 122 B S T < S- 0 0 47 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.706 110.1-124.0 -65.1 -24.8 52.7 29.9 50.8 290 123 B G S < S+ 0 0 62 -3,-1.7 2,-0.6 1,-0.3 -3,-0.1 0.364 71.3 128.1 90.8 -5.3 50.8 26.9 52.2 291 124 B Y - 0 0 56 -5,-0.4 2,-0.5 -120,-0.0 -1,-0.3 -0.766 64.1-121.7 -84.1 123.5 52.9 24.5 50.2 292 125 B Q + 0 0 167 -2,-0.6 2,-0.4 -3,-0.1 -120,-0.3 -0.521 35.9 173.8 -73.9 118.1 54.1 21.8 52.7 293 126 B V - 0 0 12 -2,-0.5 -6,-0.0 -10,-0.1 -121,-0.0 -0.984 24.7-130.3-122.6 132.7 57.9 21.5 52.9 294 127 B S > - 0 0 41 -2,-0.4 4,-2.8 1,-0.1 5,-0.1 -0.214 23.0-109.7 -77.0 168.1 59.6 19.2 55.4 295 128 B E H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.902 119.0 53.8 -65.0 -42.4 62.4 20.1 57.8 296 129 B Q H > S+ 0 0 168 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.916 112.0 43.5 -56.0 -47.7 64.9 17.9 55.9 297 130 B T H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.929 111.7 54.8 -67.5 -42.5 64.0 19.7 52.6 298 131 B F H X S+ 0 0 5 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.914 103.9 54.5 -50.6 -47.0 64.2 23.0 54.4 299 132 B Q H X S+ 0 0 89 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.881 110.7 46.5 -60.4 -36.9 67.7 22.1 55.6 300 133 B A H X S+ 0 0 19 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.889 112.1 49.6 -70.4 -43.6 68.8 21.5 52.0 301 134 B L H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.957 111.1 49.3 -59.2 -53.0 67.1 24.7 50.7 302 135 B M H X S+ 0 0 12 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.917 110.3 51.5 -54.0 -44.9 68.8 26.8 53.5 303 136 B R H < S+ 0 0 166 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.921 112.4 46.1 -58.6 -45.1 72.2 25.2 52.6 304 137 B K H < S+ 0 0 73 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.927 119.5 37.9 -66.6 -42.8 71.7 26.1 48.9 305 138 B F H < S+ 0 0 12 -4,-2.4 2,-2.3 1,-0.2 3,-0.2 0.693 92.6 85.9 -88.3 -19.1 70.5 29.7 49.3 306 139 B D >< + 0 0 17 -4,-2.5 3,-1.6 -5,-0.3 -1,-0.2 -0.499 55.5 168.5 -76.2 73.6 72.8 30.6 52.3 307 140 B R T 3 S+ 0 0 102 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.785 71.8 50.8 -65.7 -27.3 75.6 31.6 49.9 308 141 B Q T 3 S- 0 0 101 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.455 104.3-129.1 -85.8 -0.4 77.8 33.3 52.6 309 142 B R < + 0 0 148 -3,-1.6 -2,-0.1 -6,-0.1 4,-0.1 0.880 67.2 133.5 51.2 45.0 77.5 30.2 54.8 310 143 B R S S- 0 0 144 2,-0.4 3,-0.1 0, 0.0 -1,-0.1 0.554 74.5-114.5 -98.2 -10.6 76.4 32.5 57.7 311 144 B G S S+ 0 0 45 1,-0.3 -32,-0.5 -9,-0.1 2,-0.3 0.650 92.4 69.3 78.3 20.4 73.4 30.5 58.9 312 145 B S S S- 0 0 18 -34,-0.2 2,-0.4 -10,-0.1 -2,-0.4 -0.945 81.2-112.5-157.5 158.4 71.0 33.3 57.8 313 146 B L B -G 277 0G 1 -36,-2.5 -36,-2.7 -2,-0.3 -7,-0.1 -0.899 19.7-149.7-106.8 139.7 69.8 34.7 54.5 314 147 B G > - 0 0 2 -2,-0.4 4,-2.4 -38,-0.2 -38,-0.1 -0.297 39.5 -93.8 -85.6 178.4 70.4 38.2 53.1 315 148 B F H > S+ 0 0 12 -40,-0.4 4,-2.2 2,-0.2 5,-0.1 0.890 126.4 51.1 -63.5 -43.3 68.1 40.1 50.9 316 149 B D H > S+ 0 0 13 -90,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 111.7 47.1 -58.3 -45.9 69.8 38.8 47.7 317 150 B D H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.858 111.6 52.0 -62.3 -40.8 69.6 35.2 48.9 318 151 B Y H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.875 108.2 50.8 -62.9 -42.1 65.9 35.8 49.8 319 152 B V H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.936 111.3 47.9 -59.9 -49.6 65.3 37.1 46.3 320 153 B E H X S+ 0 0 21 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.927 113.5 48.7 -56.1 -44.1 66.9 34.0 44.7 321 154 B L H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.901 110.0 50.6 -64.8 -44.8 64.8 31.8 47.0 322 155 B S H X S+ 0 0 25 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.882 112.2 46.2 -59.3 -45.4 61.6 33.6 46.2 323 156 B I H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.928 113.1 51.1 -60.8 -46.1 62.1 33.3 42.5 324 157 B F H X S+ 0 0 8 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.929 110.6 46.4 -62.9 -47.3 63.1 29.7 42.8 325 158 B V H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.911 111.6 52.3 -64.4 -42.9 60.0 28.7 44.8 326 159 B C H X S+ 0 0 59 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.904 112.0 46.2 -55.8 -43.7 57.7 30.5 42.5 327 160 B R H X S+ 0 0 56 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.903 113.4 49.3 -67.4 -40.3 59.2 28.7 39.5 328 161 B V H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.935 111.4 48.6 -60.8 -48.4 59.0 25.3 41.3 329 162 B R H X S+ 0 0 56 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.865 106.6 57.2 -63.3 -41.1 55.4 25.9 42.2 330 163 B N H X S+ 0 0 104 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.916 111.2 42.3 -58.0 -44.6 54.5 26.9 38.6 331 164 B V H X S+ 0 0 12 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.943 115.4 48.8 -66.1 -47.7 55.8 23.6 37.3 332 165 B F H >X S+ 0 0 1 -4,-2.6 4,-1.1 1,-0.2 3,-0.8 0.960 113.7 46.1 -60.7 -47.9 54.2 21.5 40.1 333 166 B A H 3< S+ 0 0 47 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.809 102.8 65.2 -63.2 -33.9 50.8 23.2 39.7 334 167 B F H 3< S+ 0 0 151 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.842 115.4 30.1 -55.4 -36.9 50.9 22.8 35.9 335 168 B Y H << S+ 0 0 81 -4,-1.2 2,-0.7 -3,-0.8 3,-0.2 0.516 105.7 76.4-101.4 -8.1 50.8 19.0 36.4 336 169 B D >< + 0 0 16 -4,-1.1 3,-1.7 1,-0.2 -1,-0.2 -0.396 53.4 149.8-100.9 59.7 48.8 18.9 39.6 337 170 B R T 3 S+ 0 0 207 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.863 72.2 46.2 -60.7 -44.8 45.4 19.7 38.0 338 171 B E T 3 S- 0 0 146 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.240 110.6-121.8 -77.8 14.2 43.2 17.7 40.5 339 172 B R < + 0 0 209 -3,-1.7 -2,-0.1 -6,-0.2 -3,-0.1 0.904 62.7 149.5 31.4 55.5 45.2 19.4 43.3 340 173 B T - 0 0 79 2,-0.2 -1,-0.1 1,-0.0 3,-0.1 0.583 56.3-128.6 -82.1 -12.3 46.2 15.9 44.5 341 174 B G S S+ 0 0 32 -5,-0.2 -170,-0.6 1,-0.1 2,-0.4 0.566 82.3 90.3 70.2 6.8 49.6 17.0 45.8 342 175 B Q E -D 170 0D 112 -172,-0.2 2,-0.4 -7,-0.1 -172,-0.2 -0.991 54.9-173.2-131.5 131.7 51.3 14.2 43.9 343 176 B V E -D 169 0D 3 -174,-2.4 -174,-2.8 -2,-0.4 2,-0.4 -0.969 13.7-147.1-123.5 138.0 52.6 14.6 40.3 344 177 B T E -D 168 0D 65 -2,-0.4 2,-0.3 -176,-0.2 -176,-0.2 -0.879 20.5-173.4 -99.4 133.6 54.1 12.0 38.0 345 178 B F E -D 167 0D 1 -178,-2.8 -178,-2.7 -2,-0.4 2,-0.2 -0.931 16.7-146.8-121.8 150.5 56.9 13.1 35.6 346 179 B T E > -D 166 0D 62 -2,-0.3 4,-2.3 -180,-0.2 5,-0.2 -0.518 43.4 -98.0 -92.9 179.4 58.6 11.3 32.8 347 180 B F H > S+ 0 0 10 -182,-0.8 4,-3.0 -2,-0.2 5,-0.3 0.913 125.6 54.9 -65.4 -37.0 62.2 12.2 32.2 348 181 B D H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.950 112.6 38.3 -62.0 -50.6 61.0 14.5 29.5 349 182 B T H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.837 117.1 53.8 -72.2 -31.2 58.6 16.6 31.6 350 183 B F H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.919 113.1 39.8 -67.3 -49.2 61.0 16.5 34.6 351 184 B I H X S+ 0 0 0 -4,-3.0 4,-3.0 -5,-0.2 -2,-0.2 0.902 116.3 52.1 -67.3 -39.7 64.0 17.8 32.6 352 185 B G H X S+ 0 0 20 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.911 112.5 45.9 -57.7 -45.8 61.7 20.3 30.8 353 186 B G H X S+ 0 0 5 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.947 112.4 50.4 -58.5 -50.7 60.4 21.5 34.2 354 187 B S H >X S+ 0 0 4 -4,-2.5 4,-0.8 1,-0.3 3,-0.7 0.898 107.7 54.0 -58.7 -41.7 63.9 21.7 35.6 355 188 B V H >< S+ 0 0 5 -4,-3.0 3,-1.0 1,-0.2 -1,-0.3 0.899 107.1 50.9 -57.2 -45.7 64.9 23.7 32.6 356 189 B S H 3< S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.728 108.2 53.9 -66.5 -22.7 62.1 26.2 33.2 357 190 B I H << 0 0 9 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.600 360.0 360.0 -86.1 -16.9 63.2 26.6 36.9 358 191 B L << 0 0 59 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.852 360.0 360.0 -60.4 360.0 66.8 27.4 36.1