==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-MAR-09 3GOZ . COMPND 2 MOLECULE: LEUCINE-RICH REPEAT-CONTAINING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. . AUTHOR S.M.VOROBIEV,M.ABASHIDZE,J.SEETHARAMAN,R.L.BELOTE,E.L.FOOTE, . 320 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 20 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 0 2 0 2 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 9 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 X 0 0 132 0, 0.0 25,-2.4 0, 0.0 24,-2.0 0.000 360.0 360.0 360.0 154.6 26.1 -7.0 72.2 2 2 A N E -a 26 0A 79 23,-0.2 2,-0.3 22,-0.2 25,-0.2 -0.644 360.0-174.6 -94.7 150.5 29.2 -9.0 71.4 3 3 A Y E -a 27 0A 64 23,-1.9 25,-2.9 -2,-0.3 2,-0.6 -0.927 13.9-149.7-148.3 118.2 29.8 -10.8 68.1 4 4 A K E -a 28 0A 145 -2,-0.3 2,-0.8 23,-0.2 25,-0.2 -0.786 8.8-162.0 -91.3 123.8 32.7 -13.0 67.1 5 5 A L - 0 0 8 23,-2.6 2,-0.4 -2,-0.6 12,-0.0 -0.865 8.6-156.4-108.6 99.4 33.7 -12.9 63.4 6 6 A T - 0 0 86 -2,-0.8 2,-0.4 10,-0.1 26,-0.1 -0.629 7.2-162.1 -78.4 127.8 35.7 -16.0 62.6 7 7 A L - 0 0 14 -2,-0.4 -2,-0.0 24,-0.1 27,-0.0 -0.941 1.5-159.8-113.8 129.4 38.0 -15.5 59.6 8 8 A H > - 0 0 126 -2,-0.4 3,-1.7 1,-0.1 24,-0.0 -0.646 37.7 -96.6-103.5 164.5 39.5 -18.5 57.7 9 9 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 0.824 126.1 37.0 -48.7 -38.4 42.5 -18.5 55.3 10 10 A G T 3 S+ 0 0 77 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.490 90.2 125.8 -94.7 -4.1 40.3 -18.2 52.3 11 11 A S < - 0 0 23 -3,-1.7 3,-0.1 1,-0.1 -4,-0.1 -0.154 57.9-135.4 -55.6 143.6 37.7 -16.0 53.8 12 12 A N > - 0 0 36 1,-0.1 4,-2.6 29,-0.0 3,-0.3 -0.931 11.4-154.1 -98.2 112.7 36.8 -12.7 52.0 13 13 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.855 92.0 55.7 -52.5 -44.8 36.6 -10.1 54.8 14 14 A V H > S+ 0 0 36 2,-0.2 4,-1.0 1,-0.2 -3,-0.0 0.913 112.0 42.8 -56.3 -46.4 34.2 -7.8 52.9 15 15 A E H >> S+ 0 0 118 -3,-0.3 3,-0.8 1,-0.2 4,-0.7 0.945 113.5 51.9 -65.8 -47.9 31.7 -10.7 52.5 16 16 A E H >< S+ 0 0 63 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.870 105.1 55.9 -58.2 -39.5 32.2 -11.8 56.1 17 17 A F H >< S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.799 95.2 66.5 -64.9 -29.3 31.5 -8.3 57.5 18 18 A T H << S+ 0 0 103 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.812 93.7 61.0 -62.2 -28.9 28.2 -8.1 55.7 19 19 A S T << S+ 0 0 60 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.515 76.0 109.6 -77.5 -5.7 26.9 -10.9 58.0 20 20 A I S < S- 0 0 6 -3,-1.7 3,-0.1 -4,-0.2 -17,-0.0 -0.621 72.5-128.0 -72.4 118.5 27.5 -8.8 61.2 21 21 A P > - 0 0 60 0, 0.0 3,-1.3 0, 0.0 2,-0.2 -0.324 21.5-107.3 -66.9 147.3 24.1 -7.9 62.5 22 22 A H T 3 S+ 0 0 167 1,-0.2 3,-0.1 30,-0.0 0, 0.0 -0.565 106.0 48.5 -74.2 140.1 23.2 -4.2 63.2 23 23 A G T 3 S+ 0 0 41 1,-0.5 -1,-0.2 -2,-0.2 2,-0.1 0.011 74.7 135.0 111.7 -24.6 23.1 -3.5 66.9 24 24 A V < + 0 0 0 -3,-1.3 -1,-0.5 1,-0.2 -22,-0.2 -0.408 27.0 176.2 -55.5 123.7 26.4 -5.3 67.5 25 25 A T + 0 0 57 -24,-2.0 29,-2.8 1,-0.2 30,-1.5 0.649 65.6 46.1-104.9 -23.0 28.4 -3.0 69.8 26 26 A S E -ab 2 55A 31 -25,-2.4 -23,-1.9 27,-0.2 2,-0.6 -0.973 67.4-163.8-129.6 118.9 31.5 -5.2 70.3 27 27 A L E -ab 3 56A 0 28,-2.7 30,-2.5 -2,-0.5 2,-0.8 -0.895 4.7-157.7-110.7 118.8 33.2 -6.9 67.4 28 28 A D E +ab 4 57A 21 -25,-2.9 -23,-2.6 -2,-0.6 30,-0.1 -0.843 27.3 156.0-101.5 108.6 35.7 -9.8 68.1 29 29 A L > + 0 0 0 28,-2.4 3,-0.5 -2,-0.8 5,-0.2 0.021 33.2 136.1-111.9 22.4 38.2 -10.4 65.4 30 30 A S T 3 + 0 0 22 1,-0.2 30,-0.2 2,-0.1 31,-0.1 -0.256 60.7 20.6 -71.3 158.9 40.8 -12.0 67.7 31 31 A L T 3 S+ 0 0 136 28,-1.8 -1,-0.2 1,-0.1 30,-0.2 0.823 84.1 125.3 55.6 40.3 42.7 -15.1 66.8 32 32 A N S < S- 0 0 16 -3,-0.5 29,-0.1 27,-0.3 -1,-0.1 0.131 79.1-115.8-114.5 16.9 42.1 -14.7 63.1 33 33 A N > + 0 0 92 27,-0.5 3,-1.7 1,-0.1 4,-0.4 0.897 52.5 167.0 47.4 43.9 45.7 -14.7 61.8 34 34 A L G > + 0 0 3 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.745 59.3 76.6 -64.4 -22.3 45.1 -11.2 60.7 35 35 A Y G 3 S+ 0 0 94 26,-1.4 32,-0.3 1,-0.2 -1,-0.3 0.763 103.1 38.4 -58.4 -24.4 48.8 -10.6 60.1 36 36 A S G < S+ 0 0 81 -3,-1.7 -1,-0.2 25,-0.1 -2,-0.2 0.437 90.5 112.7-108.2 -1.7 48.4 -12.6 56.8 37 37 A I S < S- 0 0 25 -3,-1.0 2,-0.3 -4,-0.4 3,-0.0 -0.376 84.2 -89.7 -67.8 149.7 45.0 -11.3 55.7 38 38 A S > - 0 0 49 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.454 32.6-149.8 -59.7 119.5 44.8 -9.1 52.6 39 39 A T H > S+ 0 0 10 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.920 94.9 53.3 -60.6 -42.9 45.3 -5.6 53.8 40 40 A V H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.938 110.9 46.1 -58.0 -47.4 43.2 -4.2 50.9 41 41 A E H > S+ 0 0 71 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.894 112.8 48.8 -64.3 -39.7 40.3 -6.5 51.7 42 42 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.873 109.8 52.2 -69.7 -37.7 40.4 -5.8 55.5 43 43 A I H X S+ 0 0 52 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.942 113.5 44.6 -61.1 -47.1 40.5 -2.1 54.8 44 44 A Q H X S+ 0 0 105 -4,-2.3 4,-0.9 -5,-0.2 3,-0.4 0.911 110.7 53.9 -62.8 -43.5 37.4 -2.5 52.6 45 45 A A H >< S+ 0 0 0 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.909 104.7 55.9 -58.0 -42.4 35.7 -4.7 55.2 46 46 A F H >< S+ 0 0 4 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.840 100.4 58.3 -57.8 -36.0 36.3 -2.0 57.8 47 47 A A H 3< S+ 0 0 83 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.791 105.2 51.5 -66.7 -26.3 34.4 0.5 55.7 48 48 A N T << S+ 0 0 92 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 -0.117 81.4 128.5-101.7 33.5 31.3 -1.8 55.8 49 49 A T < - 0 0 20 -3,-1.2 -31,-0.1 1,-0.1 -3,-0.0 -0.738 69.6-100.6 -89.3 137.2 31.3 -2.2 59.6 50 50 A P > - 0 0 7 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.308 25.3-129.1 -56.2 136.2 28.0 -1.5 61.3 51 51 A A T 3 S+ 0 0 78 1,-0.3 -29,-0.0 3,-0.0 -2,-0.0 0.644 102.5 71.5 -60.8 -17.2 27.9 2.0 62.9 52 52 A S T 3 S+ 0 0 37 2,-0.0 2,-0.4 -26,-0.0 -1,-0.3 0.739 71.4 105.3 -74.3 -20.8 26.8 0.4 66.2 53 53 A V < + 0 0 0 -3,-1.7 -27,-0.2 1,-0.2 -28,-0.2 -0.449 32.3 158.9 -66.1 118.5 30.2 -1.1 66.8 54 54 A T + 0 0 63 -29,-2.8 29,-2.7 -2,-0.4 30,-1.5 0.410 60.9 55.5-117.3 -4.8 32.1 0.9 69.5 55 55 A S E -bc 26 84A 33 -30,-1.5 -28,-2.7 27,-0.2 2,-0.4 -0.997 61.0-169.7-136.0 134.5 34.6 -1.8 70.5 56 56 A L E -bc 27 85A 4 28,-2.5 30,-2.6 -2,-0.4 2,-0.6 -0.987 7.0-160.3-131.5 126.1 37.1 -3.7 68.4 57 57 A N E +bc 28 86A 35 -30,-2.5 -28,-2.4 -2,-0.4 30,-0.1 -0.915 23.3 158.0-109.3 110.2 39.1 -6.7 69.4 58 58 A L + 0 0 1 28,-2.5 3,-0.4 -2,-0.6 5,-0.2 0.077 32.0 139.2-112.1 18.3 42.2 -7.4 67.2 59 59 A S + 0 0 18 1,-0.2 -28,-1.8 27,-0.1 -27,-0.3 -0.193 57.0 23.0 -66.9 155.6 44.1 -9.4 69.9 60 60 A G S S+ 0 0 24 28,-1.6 -27,-0.5 -30,-0.2 -1,-0.2 0.850 82.7 119.5 63.7 40.5 46.1 -12.6 69.2 61 61 A N S S- 0 0 0 -3,-0.4 -26,-1.4 27,-0.3 29,-0.2 0.148 77.7-120.9-122.1 13.8 46.6 -11.8 65.5 62 62 A S > + 0 0 34 27,-0.7 3,-2.5 1,-0.1 28,-0.2 0.772 53.2 159.5 49.7 33.4 50.5 -11.7 65.3 63 63 A L G > + 0 0 5 1,-0.3 3,-1.6 -5,-0.2 28,-0.1 0.714 59.5 75.3 -63.6 -20.2 50.2 -8.1 64.1 64 64 A G G 3 S+ 0 0 6 26,-2.8 -1,-0.3 1,-0.3 27,-0.1 0.728 98.4 47.2 -57.9 -22.4 53.8 -7.4 65.1 65 65 A F G < S+ 0 0 115 -3,-2.5 2,-0.4 25,-0.2 -1,-0.3 0.233 87.4 107.7-107.6 10.7 54.8 -9.5 62.1 66 66 A K S < S- 0 0 6 -3,-1.6 5,-0.2 1,-0.1 -30,-0.1 -0.716 92.9 -81.3 -84.7 138.9 52.5 -7.8 59.6 67 67 A N > - 0 0 86 -2,-0.4 4,-2.2 -32,-0.3 3,-0.2 -0.130 44.8-131.4 -36.7 125.8 54.2 -5.5 57.1 68 68 A S H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.854 102.7 49.0 -60.8 -43.1 54.6 -2.2 59.1 69 69 A D H > S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.866 112.9 49.4 -65.6 -36.9 53.2 0.2 56.5 70 70 A E H > S+ 0 0 72 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.865 106.6 54.9 -69.0 -35.6 50.2 -2.1 56.0 71 71 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.920 106.0 53.1 -62.7 -40.6 49.6 -2.3 59.8 72 72 A V H X S+ 0 0 37 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.907 109.5 48.9 -59.8 -42.7 49.5 1.5 59.8 73 73 A Q H X S+ 0 0 100 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.901 109.5 51.0 -64.1 -45.2 46.8 1.4 57.1 74 74 A I H < S+ 0 0 3 -4,-2.5 3,-0.2 2,-0.2 4,-0.2 0.932 112.4 46.0 -59.9 -45.7 44.7 -1.1 59.0 75 75 A L H >< S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.899 112.2 50.7 -64.5 -40.8 44.8 0.9 62.2 76 76 A A H 3< S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.774 105.9 58.9 -65.7 -23.8 44.0 4.2 60.3 77 77 A A T 3< S+ 0 0 31 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.419 73.5 124.8 -90.3 0.7 41.1 2.4 58.7 78 78 A I S < S- 0 0 8 -3,-1.3 -31,-0.0 -4,-0.2 -3,-0.0 -0.468 75.1 -97.2 -63.4 125.2 39.3 1.5 62.0 79 79 A P > - 0 0 18 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.031 25.8-123.5 -48.6 141.5 35.7 2.9 61.8 80 80 A A T 3 S+ 0 0 75 1,-0.3 -2,-0.1 -3,-0.1 -29,-0.0 0.781 107.8 64.2 -60.0 -31.9 35.2 6.3 63.5 81 81 A N T 3 S+ 0 0 55 2,-0.0 2,-0.3 -26,-0.0 -1,-0.3 0.688 79.9 100.6 -64.4 -21.2 32.5 4.9 65.8 82 82 A V < + 0 0 1 -3,-1.8 -27,-0.2 1,-0.2 -28,-0.2 -0.531 37.8 163.3 -73.1 127.3 35.1 2.6 67.5 83 83 A T + 0 0 52 -29,-2.7 29,-2.5 -2,-0.3 30,-1.9 0.500 60.3 55.9-119.7 -12.3 36.2 4.0 70.8 84 84 A S E -cd 55 113A 31 -30,-1.5 -28,-2.5 27,-0.2 2,-0.4 -0.988 63.0-174.1-130.7 126.5 37.8 1.0 72.4 85 85 A L E -cd 56 114A 1 28,-3.0 30,-2.5 -2,-0.4 2,-0.7 -0.975 12.8-159.0-129.7 128.2 40.6 -1.0 70.8 86 86 A N E +cd 57 115A 30 -30,-2.6 -28,-2.5 -2,-0.4 30,-0.1 -0.898 22.7 159.3-107.3 110.4 42.2 -4.3 72.0 87 87 A L + 0 0 5 28,-2.7 3,-0.3 -2,-0.7 5,-0.2 0.092 30.3 137.6-111.4 19.8 45.7 -4.8 70.5 88 88 A S + 0 0 8 1,-0.2 -28,-1.6 -29,-0.1 -27,-0.3 -0.216 58.4 24.4 -67.0 157.8 46.9 -7.3 73.1 89 89 A G S S+ 0 0 25 28,-1.9 -27,-0.7 -30,-0.2 -28,-0.2 0.899 82.3 121.4 61.3 47.6 48.8 -10.5 72.3 90 90 A N S S- 0 0 0 27,-0.3 -26,-2.8 -3,-0.3 -25,-0.2 0.224 78.2-116.3-127.9 13.1 50.2 -9.3 69.0 91 91 A F > + 0 0 83 27,-0.6 3,-1.9 -28,-0.1 4,-0.3 0.829 54.4 160.9 55.9 33.9 54.0 -9.5 69.4 92 92 A L G > + 0 0 3 1,-0.3 3,-1.9 -5,-0.2 -1,-0.1 0.800 60.5 69.8 -59.9 -29.9 54.2 -5.7 69.0 93 93 A S G 3 S+ 0 0 9 26,-1.3 -1,-0.3 1,-0.3 27,-0.1 0.641 82.5 71.7 -64.6 -15.9 57.6 -5.5 70.6 94 94 A Y G < S+ 0 0 150 -3,-1.9 2,-0.3 25,-0.1 -1,-0.3 0.693 81.2 92.8 -72.7 -16.2 59.2 -7.2 67.6 95 95 A K S < S- 0 0 6 -3,-1.9 -30,-0.1 -4,-0.3 -31,-0.0 -0.590 86.2-115.8 -74.8 135.2 58.6 -4.0 65.8 96 96 A S > - 0 0 58 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.113 30.7-100.2 -60.1 168.0 61.5 -1.6 65.9 97 97 A S H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 123.9 48.4 -56.9 -46.5 61.2 1.7 67.7 98 98 A D H > S+ 0 0 114 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.899 114.4 44.1 -66.0 -42.5 60.7 3.6 64.4 99 99 A E H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 113.4 52.6 -64.5 -39.0 58.0 1.2 63.2 100 100 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.870 104.7 55.1 -68.1 -38.4 56.3 1.1 66.6 101 101 A V H X S+ 0 0 24 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.901 112.1 43.0 -58.6 -44.1 56.1 4.9 66.7 102 102 A K H X S+ 0 0 101 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.901 112.8 53.7 -71.4 -42.3 54.3 5.0 63.4 103 103 A T H >< S+ 0 0 1 -4,-2.4 3,-0.7 1,-0.2 4,-0.4 0.954 113.3 41.1 -55.8 -55.0 52.1 2.1 64.3 104 104 A L H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.867 112.0 55.5 -65.7 -36.0 50.9 3.7 67.6 105 105 A A H 3< S+ 0 0 53 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.695 98.9 65.2 -67.9 -19.3 50.5 7.1 66.0 106 106 A A T << S+ 0 0 15 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.644 73.0 108.5 -76.0 -18.9 48.2 5.5 63.4 107 107 A I S < S- 0 0 3 -3,-1.2 -31,-0.1 -4,-0.4 -32,-0.1 -0.485 82.6-107.9 -64.5 122.7 45.6 4.7 66.1 108 108 A P > - 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0 0 58 -2,-0.2 4,-2.6 1,-0.1 5,-0.1 -0.390 31.0-114.0 -72.2 161.0 54.1 -9.9 104.5 213 213 A Y H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.839 118.8 55.6 -69.1 -32.2 51.3 -7.7 105.7 214 214 A A H > S+ 0 0 60 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.890 110.3 47.4 -64.8 -38.3 53.8 -5.2 107.2 215 215 A E H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.947 111.4 49.8 -62.2 -51.0 55.3 -5.0 103.7 216 216 A L H X S+ 0 0 2 -4,-2.6 4,-3.6 1,-0.2 5,-0.3 0.883 106.3 56.4 -57.2 -42.2 51.8 -4.6 102.1 217 217 A A H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.931 110.6 44.0 -55.1 -47.9 51.0 -1.8 104.6 218 218 A Y H X S+ 0 0 131 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.892 114.7 50.4 -64.4 -40.8 54.1 0.1 103.4 219 219 A I H >X S+ 0 0 0 -4,-2.7 3,-0.7 2,-0.2 4,-0.6 0.971 111.9 46.1 -61.2 -54.2 53.3 -0.7 99.8 220 220 A F H >< S+ 0 0 11 -4,-3.6 3,-1.4 1,-0.2 -2,-0.2 0.904 109.4 54.5 -55.8 -45.2 49.6 0.5 100.1 221 221 A S H 3< S+ 0 0 62 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.796 100.6 62.2 -63.7 -24.1 50.6 3.7 101.9 222 222 A S H << S+ 0 0 25 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.689 75.2 106.6 -74.3 -17.6 53.0 4.5 99.1 223 223 A I S << S- 0 0 6 -3,-1.4 -31,-0.2 -4,-0.6 31,-0.2 -0.493 82.2-110.9 -64.2 120.2 50.1 4.7 96.6 224 224 A P > - 0 0 21 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.031 19.1-108.5 -58.7 162.0 49.8 8.5 96.0 225 225 A N T 3 S+ 0 0 112 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.776 109.9 65.5 -56.2 -33.7 46.8 10.6 97.1 226 226 A H T 3 S+ 0 0 44 1,-0.1 2,-0.9 2,-0.1 -1,-0.2 0.597 78.0 87.9 -76.5 -12.3 45.4 11.1 93.6 227 227 A V < + 0 0 1 -3,-1.3 -27,-0.2 1,-0.2 -28,-0.2 -0.771 44.4 163.8 -92.5 108.2 44.5 7.4 92.9 228 228 A V + 0 0 34 -29,-1.2 29,-3.4 -2,-0.9 28,-3.2 0.436 60.3 58.5-105.2 -4.0 41.0 7.0 94.3 229 229 A S E +hi 200 257A 16 -30,-1.8 -28,-2.6 27,-0.2 2,-0.4 -0.990 62.8 173.3-132.1 126.2 40.2 3.7 92.6 230 230 A L E -hi 201 258A 0 27,-1.9 29,-2.0 -2,-0.4 2,-0.6 -0.994 21.5-152.8-140.0 127.1 42.2 0.6 93.1 231 231 A N E +hi 202 259A 27 -30,-2.2 -28,-2.4 -2,-0.4 29,-0.1 -0.895 20.7 166.0-101.5 120.3 41.8 -3.0 91.9 232 232 A L + 0 0 22 27,-2.1 3,-0.3 -2,-0.6 28,-0.1 0.302 27.9 136.2-116.7 5.8 43.4 -5.5 94.2 233 233 A C + 0 0 7 26,-0.2 -28,-2.2 1,-0.2 -27,-0.3 -0.016 60.0 21.8 -57.2 159.0 41.8 -8.8 93.0 234 234 A L S S+ 0 0 67 -30,-0.2 -27,-0.5 -29,-0.1 -1,-0.2 0.863 77.6 128.2 51.4 46.0 43.6 -12.1 92.4 235 235 A N S S- 0 0 2 -3,-0.3 -26,-2.3 -30,-0.2 -25,-0.1 0.246 72.0-122.2-113.8 11.3 46.5 -11.3 94.7 236 236 A C - 0 0 83 1,-0.2 2,-0.3 -28,-0.1 -3,-0.1 0.869 31.5-163.6 55.9 46.9 46.3 -14.5 96.7 237 237 A L - 0 0 50 -27,-0.0 2,-0.3 1,-0.0 -1,-0.2 -0.488 11.1-159.4 -64.5 123.3 45.9 -12.9 100.1 238 238 A H - 0 0 151 -29,-0.4 3,-0.2 -2,-0.3 -1,-0.0 -0.742 54.0 -2.0-109.3 153.0 46.7 -15.6 102.7 239 239 A G - 0 0 31 -2,-0.3 2,-3.3 1,-0.2 -1,-0.2 0.841 62.8-162.8 36.6 64.3 45.8 -16.0 106.4 240 240 A P + 0 0 30 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 -0.307 22.3 178.2 -72.6 59.2 43.9 -12.7 106.8 241 241 A S > - 0 0 50 -2,-3.3 4,-2.5 -3,-0.2 5,-0.2 -0.189 42.9-108.5 -61.2 159.1 44.2 -13.0 110.6 242 242 A L H > S+ 0 0 75 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.776 120.3 47.5 -64.0 -28.5 42.8 -10.1 112.7 243 243 A E H > S+ 0 0 145 2,-0.2 4,-1.3 3,-0.1 -1,-0.2 0.889 109.9 52.1 -80.2 -41.4 46.4 -8.9 113.6 244 244 A N H >> S+ 0 0 49 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.974 111.1 46.9 -51.6 -60.3 47.6 -9.1 110.0 245 245 A L H >< S+ 0 0 2 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.793 103.9 64.3 -51.6 -33.9 44.6 -7.0 108.8 246 246 A K H >< S+ 0 0 45 -4,-0.8 3,-1.8 1,-0.3 -1,-0.3 0.869 93.4 61.2 -60.9 -37.2 45.3 -4.6 111.7 247 247 A L H << S+ 0 0 93 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 0.744 95.5 61.6 -61.2 -25.0 48.7 -3.7 110.1 248 248 A L T X< S+ 0 0 2 -3,-1.0 3,-2.0 -4,-0.6 4,-0.4 0.402 74.8 142.4 -84.7 3.3 46.9 -2.4 107.0 249 249 A K T < S- 0 0 131 -3,-1.8 30,-0.3 1,-0.3 4,-0.1 -0.197 78.8 -10.0 -51.5 125.0 45.1 0.3 109.1 250 250 A D T > S+ 0 0 59 28,-2.5 3,-1.5 1,-0.1 -1,-0.3 0.382 96.1 123.6 70.3 -4.1 44.8 3.6 107.2 251 251 A S T < S+ 0 0 9 -3,-2.0 -28,-0.3 1,-0.3 29,-0.1 0.670 82.8 33.1 -65.8 -16.8 47.2 2.3 104.4 252 252 A L T > S+ 0 0 6 27,-2.4 3,-1.5 -4,-0.4 -1,-0.3 -0.191 77.1 135.5-127.3 40.1 44.6 3.0 101.7 253 253 A K T < + 0 0 86 -3,-1.5 29,-0.2 1,-0.3 -2,-0.1 0.663 66.4 58.8 -71.2 -16.1 42.9 6.0 103.2 254 254 A H T 3 S+ 0 0 75 -31,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.584 81.6 114.2 -86.6 -11.1 42.7 8.0 100.0 255 255 A L < + 0 0 3 -3,-1.5 -26,-0.2 1,-0.2 -27,-0.2 -0.331 34.4 173.3 -66.3 136.1 40.7 5.3 98.1 256 256 A Q S S+ 0 0 92 -28,-3.2 28,-2.9 1,-0.4 29,-2.6 0.721 76.1 29.6-103.9 -37.5 37.2 6.0 97.0 257 257 A T E +ij 229 285A 33 -29,-3.4 -27,-1.9 27,-0.2 -1,-0.4 -0.968 66.7 178.1-122.5 138.4 36.6 2.8 95.1 258 258 A V E -ij 230 286A 0 27,-1.9 29,-2.2 -2,-0.4 2,-0.5 -0.997 17.8-148.0-137.8 142.1 38.2 -0.6 95.7 259 259 A Y E +ij 231 287A 54 -29,-2.0 -27,-2.1 -2,-0.3 2,-0.3 -0.956 24.4 178.6-110.2 128.0 37.8 -4.0 94.0 260 260 A L E - j 0 288A 16 27,-2.7 29,-2.2 -2,-0.5 2,-0.5 -0.903 35.5-100.4-129.3 152.8 38.2 -7.1 96.2 261 261 A D E >> - j 0 289A 22 -2,-0.3 4,-1.9 27,-0.2 3,-1.0 -0.632 22.1-152.6 -72.0 119.8 38.0 -10.8 95.7 262 262 A Y H 3> S+ 0 0 66 27,-2.4 4,-2.8 -2,-0.5 -1,-0.2 0.907 96.4 62.0 -55.7 -43.8 34.6 -12.1 96.9 263 263 A D H 34 S+ 0 0 107 26,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.743 106.6 46.3 -56.0 -24.9 36.2 -15.4 97.7 264 264 A I H X4 S+ 0 0 42 -3,-1.0 3,-1.2 2,-0.1 4,-0.3 0.950 116.7 38.5 -82.3 -56.7 38.5 -13.7 100.1 265 265 A V H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.792 100.5 80.5 -64.2 -26.0 36.0 -11.5 102.1 266 266 A K T 3< S+ 0 0 38 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.742 97.9 38.7 -52.9 -31.8 33.4 -14.4 101.9 267 267 A N T < S+ 0 0 144 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.452 91.7 114.0-102.4 -4.0 35.0 -16.3 104.8 268 268 A X < - 0 0 19 -3,-1.6 2,-0.1 -4,-0.3 -3,-0.0 -0.365 62.2-125.7 -72.2 148.4 35.9 -13.3 107.0 269 269 A S > - 0 0 41 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.302 34.1 -98.6 -78.3 171.3 34.3 -12.6 110.4 270 270 A K H > S+ 0 0 135 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 127.0 50.1 -55.0 -45.7 32.6 -9.3 111.2 271 271 A E H > S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.938 109.7 50.0 -62.8 -49.4 35.8 -8.2 113.0 272 272 A Q H > S+ 0 0 40 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.940 111.2 49.3 -50.8 -52.2 38.0 -9.2 110.1 273 273 A C H X S+ 0 0 2 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.926 111.8 48.2 -56.0 -46.7 35.7 -7.2 107.7 274 274 A K H X S+ 0 0 97 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.878 112.7 50.2 -61.6 -37.9 35.8 -4.2 110.0 275 275 A A H < S+ 0 0 17 -4,-2.6 4,-0.4 2,-0.2 3,-0.3 0.930 112.7 44.1 -67.2 -47.9 39.6 -4.6 110.1 276 276 A L H >X S+ 0 0 17 -4,-3.2 3,-2.2 1,-0.2 4,-0.7 0.946 111.4 54.9 -59.3 -47.8 40.0 -4.8 106.3 277 277 A G H >< S+ 0 0 9 -4,-3.1 3,-0.6 1,-0.3 6,-0.3 0.782 97.1 66.6 -55.2 -27.2 37.6 -1.9 106.0 278 278 A A T 3< S+ 0 0 31 -4,-1.0 -28,-2.5 -3,-0.3 -1,-0.3 0.656 87.4 66.7 -72.8 -16.2 39.9 0.0 108.3 279 279 A A T <4 S+ 0 0 1 -3,-2.2 -27,-2.4 -4,-0.4 -1,-0.2 0.878 114.2 30.7 -66.1 -37.7 42.6 -0.0 105.6 280 280 A F S X< S+ 0 0 2 -4,-0.7 3,-1.8 -3,-0.6 -1,-0.3 -0.630 71.3 166.4-123.1 74.9 40.3 2.3 103.6 281 281 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -28,-0.1 0.661 79.2 48.4 -63.9 -19.4 38.3 4.3 106.1 282 282 A N T 3 S+ 0 0 104 -30,-0.2 -4,-0.1 -29,-0.2 -29,-0.1 0.198 79.4 144.8-108.3 15.6 37.0 6.8 103.5 283 283 A I < + 0 0 25 -3,-1.8 -27,-0.2 -6,-0.3 -26,-0.2 -0.091 24.1 179.8 -53.3 151.4 35.9 4.1 101.0 284 284 A Q + 0 0 157 -28,-2.9 2,-0.4 1,-0.4 -27,-0.2 0.628 68.8 25.9-124.6 -39.2 32.8 5.1 99.0 285 285 A K E -j 257 0A 107 -29,-2.6 -27,-1.9 2,-0.0 2,-0.4 -0.990 60.9-168.6-131.7 124.8 32.3 2.0 96.8 286 286 A I E -j 258 0A 6 -2,-0.4 2,-0.5 -29,-0.2 -27,-0.2 -0.922 8.5-166.6-104.4 137.4 33.4 -1.5 97.4 287 287 A I E -j 259 0A 10 -29,-2.2 -27,-2.7 -2,-0.4 2,-0.3 -0.971 4.9-157.3-129.1 115.2 33.1 -3.9 94.6 288 288 A L E -j 260 0A 1 -2,-0.5 8,-2.4 8,-0.4 2,-0.4 -0.722 11.4-156.8 -91.3 144.3 33.4 -7.7 95.1 289 289 A V E -jK 261 295A 10 -29,-2.2 -27,-2.4 -2,-0.3 -26,-0.5 -0.967 8.7-131.4-128.3 135.1 34.5 -9.8 92.2 290 290 A D > - 0 0 38 4,-2.6 3,-1.7 -2,-0.4 6,-0.0 -0.049 40.9 -86.4 -76.5-176.8 33.9 -13.4 91.6 291 291 A K T 3 S+ 0 0 63 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.858 127.8 52.0 -60.9 -36.6 36.5 -16.0 90.5 292 292 A N T 3 S- 0 0 150 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.283 123.5-100.8 -87.2 10.3 36.0 -15.2 86.8 293 293 A G S < S+ 0 0 49 -3,-1.7 2,-0.6 1,-0.2 -2,-0.1 0.689 74.4 145.9 80.3 19.8 36.5 -11.5 87.3 294 294 A K - 0 0 142 1,-0.0 -4,-2.6 0, 0.0 -1,-0.2 -0.813 51.1-122.1 -96.2 122.1 32.7 -10.7 87.2 295 295 A E B -K 289 0A 109 -2,-0.6 2,-0.6 -6,-0.2 -6,-0.2 -0.302 25.9-134.9 -56.8 140.0 31.5 -7.9 89.5 296 296 A I - 0 0 36 -8,-2.4 -8,-0.4 -6,-0.0 -1,-0.1 -0.908 13.3-127.0-108.9 121.0 28.9 -9.1 91.9 297 297 A H > - 0 0 93 -2,-0.6 3,-1.0 1,-0.1 8,-0.1 -0.500 9.2-150.9 -71.0 121.5 25.8 -6.9 92.3 298 298 A P G > S+ 0 0 43 0, 0.0 3,-1.7 0, 0.0 2,-1.6 0.958 89.4 64.2 -51.6 -56.9 25.0 -6.1 96.0 299 299 A S G 3 S+ 0 0 95 1,-0.3 3,-0.1 5,-0.1 -2,-0.1 -0.088 101.9 47.8 -78.0 40.1 21.3 -5.8 95.5 300 300 A H G < S+ 0 0 152 -2,-1.6 -1,-0.3 -3,-1.0 2,-0.2 0.063 104.5 58.0-154.2 41.9 20.8 -9.4 94.5 301 301 A S <> - 0 0 37 -3,-1.7 4,-2.3 1,-0.1 -1,-0.2 -0.799 58.2-159.2-157.3 120.8 22.7 -11.3 97.2 302 302 A I H > S+ 0 0 132 -2,-0.2 4,-2.1 2,-0.2 5,-0.2 0.967 96.9 47.7 -62.5 -53.0 22.0 -10.9 101.0 303 303 A P H > S+ 0 0 68 0, 0.0 4,-3.0 0, 0.0 3,-0.3 0.939 112.6 49.4 -53.0 -50.6 25.4 -12.2 102.0 304 304 A I H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.919 110.8 50.3 -55.4 -45.0 27.2 -9.9 99.5 305 305 A S H X S+ 0 0 57 -4,-2.3 4,-1.7 -7,-0.4 -1,-0.2 0.822 112.2 47.9 -63.6 -31.4 25.1 -7.0 100.8 306 306 A N H X S+ 0 0 74 -4,-2.1 4,-2.3 -3,-0.3 -2,-0.2 0.895 108.9 53.7 -74.2 -42.8 26.1 -7.9 104.4 307 307 A L H X S+ 0 0 24 -4,-3.0 4,-2.1 -5,-0.2 5,-0.2 0.956 110.5 46.8 -51.5 -54.3 29.8 -8.2 103.5 308 308 A I H X S+ 0 0 27 -4,-2.4 4,-2.9 1,-0.2 3,-0.3 0.940 110.3 50.7 -59.3 -51.9 29.8 -4.7 102.0 309 309 A R H X>S+ 0 0 64 -4,-1.7 5,-1.4 1,-0.2 4,-0.9 0.919 114.4 46.1 -49.5 -46.2 28.0 -3.0 104.9 310 310 A E H <5S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.791 115.2 45.6 -71.7 -29.4 30.5 -4.7 107.2 311 311 A L H <5S+ 0 0 2 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.746 112.8 50.9 -83.2 -26.1 33.5 -3.7 105.1 312 312 A S H <5S- 0 0 51 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.623 106.5-128.3 -82.0 -16.0 32.2 -0.1 104.6 313 313 A G T <5 + 0 0 41 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.642 55.0 153.9 73.5 14.1 31.7 0.2 108.4 314 314 A K < - 0 0 57 -5,-1.4 2,-0.4 -6,-0.3 -1,-0.2 -0.294 31.1-143.1 -67.0 160.0 28.1 1.4 107.8 315 315 A A - 0 0 62 -3,-0.1 2,-0.2 4,-0.0 -1,-0.0 -0.977 11.4-159.2-133.7 143.5 25.7 0.7 110.6 316 316 A D > - 0 0 56 -2,-0.4 4,-1.8 1,-0.0 0, 0.0 -0.593 42.7 -91.0-107.3 176.4 22.0 -0.2 110.9 317 317 A V T 4 S+ 0 0 81 -2,-0.2 3,-0.2 2,-0.2 -1,-0.0 0.923 121.4 48.7 -56.1 -53.5 19.6 0.3 113.8 318 318 A P T 4 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.956 108.2 53.7 -52.2 -57.8 20.2 -3.1 115.6 319 319 A S T 4 0 0 81 0, 0.0 -2,-0.2 0, 0.0 -4,-0.0 0.855 360.0 360.0 -46.1 -43.0 24.0 -2.7 115.5 320 320 A L < 0 0 159 -4,-1.8 -5,-0.0 -3,-0.2 0, 0.0 -0.456 360.0 360.0 -67.9 360.0 23.7 0.7 117.1