==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-04 1XRY . COMPND 2 MOLECULE: BACTERIAL LEUCYL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PROTEOLYTICUS; . AUTHOR R.GILBOA,J.-M.RONDEAU,S.BLUMBERG,C.TARNUS,G.SHOHAM . 291 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.5 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 . 1 0.3 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 . 15 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 1 1 0 0 0 1 1 0 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 0 1 0 1 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 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 105 0, 0.0 200,-0.0 0, 0.0 285,-0.0 0.000 360.0 360.0 360.0 139.0 32.5 21.8 32.3 2 2 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 287,-0.0 -0.422 360.0-104.9 -74.4 146.6 31.9 22.8 28.7 3 3 A P - 0 0 96 0, 0.0 2,-0.4 0, 0.0 201,-0.0 -0.354 40.9 -95.8 -70.1 151.2 28.4 23.2 27.3 4 4 A I + 0 0 29 1,-0.2 281,-0.0 2,-0.1 3,-0.0 -0.562 64.5 140.8 -70.5 122.5 26.9 20.5 25.0 5 5 A T + 0 0 84 -2,-0.4 3,-0.4 -3,-0.1 -1,-0.2 0.425 46.6 80.3-141.3 -8.8 27.5 21.6 21.4 6 6 A Q >> + 0 0 51 1,-0.2 4,-2.7 2,-0.1 3,-0.8 0.037 49.4 130.0 -94.3 28.8 28.4 18.6 19.4 7 7 A Q H 3> + 0 0 62 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.864 68.3 59.0 -48.0 -42.3 24.8 17.4 19.0 8 8 A A H 3> S+ 0 0 83 -3,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.903 114.9 34.2 -55.8 -44.8 25.3 17.1 15.2 9 9 A T H <> S+ 0 0 40 -3,-0.8 4,-2.2 2,-0.2 3,-0.3 0.923 117.6 51.0 -78.4 -47.2 28.1 14.6 15.6 10 10 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.941 110.9 47.3 -57.1 -52.4 26.9 12.8 18.7 11 11 A T H < S+ 0 0 82 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.744 113.6 50.9 -63.6 -22.2 23.4 12.1 17.4 12 12 A A H < S+ 0 0 54 -4,-0.5 -1,-0.2 -5,-0.3 -2,-0.2 0.859 119.7 32.4 -82.9 -36.5 24.9 10.9 14.1 13 13 A W H >< S+ 0 0 40 -4,-2.2 3,-2.1 1,-0.1 4,-0.4 0.756 100.9 77.1 -91.5 -27.7 27.5 8.5 15.7 14 14 A L G >< S+ 0 0 14 -4,-3.1 3,-1.7 -5,-0.3 -3,-0.1 0.881 91.2 56.2 -50.2 -43.9 25.5 7.3 18.7 15 15 A P G 3 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.664 93.8 71.2 -64.7 -15.6 23.3 5.0 16.6 16 16 A Q G < + 0 0 68 -3,-2.1 2,-0.3 -4,-0.1 -2,-0.2 0.603 67.9 111.8 -77.5 -11.2 26.5 3.3 15.3 17 17 A V < - 0 0 4 -3,-1.7 2,-0.6 -4,-0.4 111,-0.1 -0.504 57.8-155.3 -66.3 123.2 27.1 1.6 18.7 18 18 A D >> - 0 0 66 -2,-0.3 4,-1.6 1,-0.1 3,-0.9 -0.900 16.4-160.1-110.1 114.8 26.5 -2.1 18.1 19 19 A A H 3> S+ 0 0 18 -2,-0.6 4,-2.4 1,-0.3 5,-0.2 0.783 93.5 60.3 -60.1 -28.9 25.6 -4.3 21.1 20 20 A S H 3> S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.829 101.9 52.5 -69.4 -31.5 26.7 -7.4 19.2 21 21 A Q H <> S+ 0 0 85 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.935 109.7 50.4 -67.0 -44.1 30.2 -6.0 19.0 22 22 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.941 112.6 43.2 -59.8 -51.4 30.1 -5.5 22.7 23 23 A T H X S+ 0 0 24 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.821 109.4 60.3 -66.0 -28.4 29.0 -9.0 23.6 24 24 A G H X S+ 0 0 32 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.936 108.6 43.3 -63.1 -44.1 31.5 -10.3 21.0 25 25 A T H X S+ 0 0 18 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.923 113.6 51.0 -67.4 -44.1 34.3 -8.7 23.0 26 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.937 109.0 49.8 -60.3 -47.9 32.9 -9.8 26.4 27 27 A S H < S+ 0 0 48 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.868 111.2 51.4 -61.6 -32.8 32.6 -13.5 25.3 28 28 A S H >< S+ 0 0 45 -4,-1.5 3,-1.3 -5,-0.2 4,-0.4 0.956 111.1 46.5 -67.5 -48.1 36.2 -13.4 24.0 29 29 A L H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.887 108.0 54.9 -62.4 -39.0 37.6 -12.0 27.2 30 30 A E T 3< S+ 0 0 52 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.574 92.5 76.7 -72.7 -4.5 35.6 -14.5 29.4 31 31 A S T < S+ 0 0 91 -3,-1.3 -1,-0.3 -4,-0.3 2,-0.2 0.736 73.5 91.2 -74.7 -25.6 37.3 -17.2 27.3 32 32 A F S < S- 0 0 39 -3,-1.5 80,-0.2 -4,-0.4 3,-0.1 -0.555 89.9-124.1 -70.2 137.5 40.5 -16.7 29.2 33 33 A T S S- 0 0 71 -2,-0.2 79,-2.7 1,-0.2 2,-0.3 0.915 86.3 -30.3 -47.0 -47.1 40.6 -19.1 32.1 34 34 A N - 0 0 0 77,-0.2 -1,-0.2 74,-0.1 11,-0.2 -0.952 48.5-136.2-161.4 167.4 41.1 -16.0 34.2 35 35 A R + 0 0 0 77,-0.4 65,-0.3 -2,-0.3 66,-0.0 -0.141 45.2 156.6-125.3 38.2 42.8 -12.6 33.8 36 36 A F > - 0 0 15 63,-0.2 3,-1.5 71,-0.2 6,-0.3 -0.329 51.4-118.5 -65.9 144.9 44.6 -12.5 37.1 37 37 A Y T 3 S+ 0 0 35 1,-0.3 38,-1.1 63,-0.2 37,-0.5 0.717 109.0 42.3 -61.4 -22.3 47.6 -10.2 37.3 38 38 A T T 3 S+ 0 0 71 35,-0.1 -1,-0.3 36,-0.1 2,-0.2 0.311 97.4 91.0-108.4 11.0 50.1 -12.9 38.1 39 39 A T S <> S- 0 0 7 -3,-1.5 4,-1.9 1,-0.1 5,-0.2 -0.686 79.2-121.0-105.8 160.4 48.9 -15.7 35.7 40 40 A T H > S+ 0 0 85 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.904 116.6 51.8 -62.6 -39.9 49.9 -16.5 32.1 41 41 A S H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.856 107.1 54.1 -66.1 -32.0 46.3 -16.0 31.0 42 42 A G H > S+ 0 0 0 -6,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.890 110.3 45.5 -67.9 -38.8 46.3 -12.6 32.7 43 43 A A H X S+ 0 0 25 -4,-1.9 4,-1.7 1,-0.2 3,-0.3 0.915 112.5 51.7 -69.9 -41.0 49.3 -11.5 30.8 44 44 A Q H X S+ 0 0 110 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.823 102.1 59.7 -64.3 -32.7 47.9 -12.9 27.6 45 45 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.885 104.1 51.4 -63.2 -38.2 44.6 -11.0 28.1 46 46 A S H X S+ 0 0 1 -4,-1.1 4,-2.4 -3,-0.3 -2,-0.2 0.944 110.1 48.5 -62.8 -48.0 46.6 -7.8 28.1 47 47 A D H X S+ 0 0 78 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.891 110.2 53.2 -59.7 -38.6 48.3 -8.8 24.8 48 48 A W H X S+ 0 0 70 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.947 109.3 46.4 -62.7 -49.2 44.9 -9.6 23.4 49 49 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.910 112.5 51.3 -60.9 -41.5 43.4 -6.2 24.2 50 50 A A H X S+ 0 0 9 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.927 109.8 49.5 -60.3 -46.7 46.5 -4.5 22.8 51 51 A S H X S+ 0 0 76 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.910 112.5 48.3 -59.6 -43.2 46.3 -6.4 19.6 52 52 A E H X S+ 0 0 72 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.928 113.8 44.8 -64.4 -47.6 42.5 -5.6 19.2 53 53 A W H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.846 109.5 57.2 -66.7 -33.2 43.0 -1.9 19.9 54 54 A Q H X S+ 0 0 99 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.936 105.2 51.1 -62.2 -44.1 46.0 -1.8 17.5 55 55 A A H < S+ 0 0 69 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.853 114.4 43.8 -61.2 -36.1 43.8 -3.2 14.7 56 56 A L H >X S+ 0 0 34 -4,-1.5 3,-0.8 1,-0.2 4,-0.6 0.867 109.5 54.5 -77.7 -37.5 41.2 -0.4 15.4 57 57 A S H 3< S+ 0 0 5 -4,-2.8 6,-0.3 1,-0.2 -1,-0.2 0.632 83.3 91.4 -72.1 -13.5 43.7 2.4 15.8 58 58 A A T 3< S+ 0 0 73 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.1 0.888 92.0 40.1 -47.5 -47.2 45.2 1.5 12.3 59 59 A S T <4 S+ 0 0 73 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.995 97.6 87.8 -65.6 -65.8 42.8 4.0 10.7 60 60 A L S >< S- 0 0 8 -4,-0.6 3,-0.7 1,-0.1 2,-0.2 0.042 75.8-128.1 -41.0 134.0 42.9 6.8 13.2 61 61 A P T 3 S+ 0 0 66 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.592 88.9 17.4 -85.5 147.6 45.6 9.5 12.8 62 62 A N T 3 S+ 0 0 99 1,-0.2 21,-1.5 -2,-0.2 2,-0.3 0.616 96.8 132.1 66.9 12.4 47.9 10.4 15.7 63 63 A A E < +A 82 0A 24 -3,-0.7 2,-0.3 -6,-0.3 -1,-0.2 -0.757 28.6 171.7-100.6 142.7 46.9 7.2 17.5 64 64 A S E -A 81 0A 52 17,-1.9 17,-2.2 -2,-0.3 2,-0.5 -0.997 20.9-143.7-147.3 147.3 49.2 4.7 19.1 65 65 A V E +A 80 0A 29 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.945 26.5 166.9-115.2 127.2 48.8 1.6 21.2 66 66 A K E -A 79 0A 90 13,-2.7 13,-3.3 -2,-0.5 2,-0.5 -0.947 30.2-136.4-139.1 160.9 51.1 0.7 24.0 67 67 A Q E -A 78 0A 66 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.974 21.0-146.1-116.8 124.0 51.5 -1.6 27.0 68 68 A V E -A 77 0A 33 9,-2.2 9,-1.7 -2,-0.5 2,-0.2 -0.776 14.2-133.7 -93.6 129.3 52.9 -0.1 30.2 69 69 A S - 0 0 90 -2,-0.5 2,-0.3 7,-0.2 7,-0.1 -0.531 17.4-161.3 -81.7 148.0 55.0 -2.4 32.4 70 70 A H - 0 0 16 3,-0.5 3,-0.3 -2,-0.2 2,-0.3 -0.933 23.7-109.7-125.2 150.3 54.5 -2.5 36.2 71 71 A S S S+ 0 0 115 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.602 96.0 24.1 -81.5 140.4 56.9 -3.8 38.8 72 72 A G S S+ 0 0 84 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 -0.143 115.8 48.3 105.3 -39.0 56.0 -7.0 40.5 73 73 A Y - 0 0 14 -3,-0.3 -3,-0.5 2,-0.1 -35,-0.1 -0.899 69.4-130.8-135.2 162.7 53.8 -8.7 38.0 74 74 A N S S+ 0 0 131 -37,-0.5 2,-0.4 -2,-0.3 -36,-0.1 0.568 72.7 105.8 -90.3 -12.1 53.7 -9.4 34.3 75 75 A Q - 0 0 0 -38,-1.1 2,-0.3 -6,-0.1 -5,-0.1 -0.579 59.2-154.1 -72.8 125.9 50.3 -8.1 33.4 76 76 A K - 0 0 77 -2,-0.4 2,-0.2 -33,-0.3 -7,-0.2 -0.721 13.2-120.8-102.6 148.3 50.6 -4.8 31.6 77 77 A S E -A 68 0A 0 -9,-1.7 -9,-2.2 -2,-0.3 2,-0.5 -0.595 28.3-133.0 -81.2 149.9 48.1 -2.0 31.4 78 78 A V E -AB 67 147A 0 69,-2.9 69,-2.7 -11,-0.2 2,-0.4 -0.899 24.1-176.3-108.0 134.7 47.0 -1.1 27.9 79 79 A V E -AB 66 146A 4 -13,-3.3 -13,-2.7 -2,-0.5 2,-0.5 -0.977 10.6-173.8-134.2 122.4 46.9 2.5 26.7 80 80 A M E -AB 65 145A 0 65,-2.8 65,-3.3 -2,-0.4 2,-0.3 -0.964 15.2-170.1-112.6 128.4 45.7 3.9 23.4 81 81 A T E -AB 64 144A 11 -17,-2.2 -17,-1.9 -2,-0.5 2,-0.4 -0.886 15.8-166.2-119.3 151.5 46.3 7.6 22.9 82 82 A I E -AB 63 143A 0 61,-2.1 61,-2.5 -2,-0.3 -19,-0.2 -0.968 25.5-131.7-135.3 114.1 45.1 10.0 20.2 83 83 A T - 0 0 50 -21,-1.5 2,-0.1 -2,-0.4 59,-0.1 -0.449 23.8-117.9 -69.4 134.7 46.9 13.4 20.2 84 84 A G - 0 0 5 -2,-0.2 56,-0.3 6,-0.2 57,-0.2 -0.420 8.7-144.4 -73.9 149.8 44.7 16.4 20.0 85 85 A S S S+ 0 0 79 54,-2.1 55,-0.2 56,-0.2 56,-0.1 0.715 95.9 20.0 -85.7 -23.0 44.9 18.8 17.0 86 86 A E S S+ 0 0 108 54,-1.4 55,-0.2 53,-0.2 54,-0.1 0.750 139.0 19.3-114.4 -42.9 44.3 22.0 19.0 87 87 A A E > +c 141 0A 8 53,-3.5 3,-1.7 3,-0.1 55,-0.8 -0.608 61.2 162.3-132.4 74.0 45.2 21.3 22.7 88 88 A P E 3 S+ 0 0 56 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.627 73.5 67.2 -65.6 -13.8 47.3 18.2 22.8 89 89 A D E 3 S+ 0 0 100 -3,-0.1 82,-1.0 -6,-0.1 2,-0.5 0.531 86.8 78.7 -84.9 -9.6 48.4 19.2 26.3 90 90 A E E < S- d 0 171A 18 -3,-1.7 52,-2.2 50,-0.2 2,-0.4 -0.903 71.3-156.5-103.8 126.0 44.9 18.6 27.7 91 91 A W E -cd 142 172A 23 80,-3.3 82,-2.7 -2,-0.5 83,-0.9 -0.854 14.6-165.7-111.6 139.8 44.0 15.0 28.3 92 92 A I E -cd 143 174A 0 50,-2.1 52,-2.9 -2,-0.4 2,-0.4 -0.967 18.9-158.5-114.5 129.7 40.6 13.2 28.5 93 93 A V E +cd 144 175A 0 81,-3.0 83,-2.8 -2,-0.4 2,-0.3 -0.909 18.2 169.9-117.4 141.1 40.7 9.7 30.1 94 94 A I E +cd 145 176A 1 50,-2.1 52,-2.5 -2,-0.4 2,-0.3 -0.983 23.4 130.0-144.0 132.8 38.3 6.8 29.8 95 95 A G E -cd 146 177A 0 81,-2.0 83,-3.0 -2,-0.3 2,-0.3 -0.968 33.3-155.0-165.7-176.0 39.0 3.3 31.0 96 96 A G E -c 147 0A 0 50,-1.8 52,-2.5 -2,-0.3 2,-0.4 -0.908 38.9 -92.3-159.7 173.5 38.3 0.1 32.8 97 97 A H E -c 148 0A 0 81,-0.3 25,-0.3 -2,-0.3 21,-0.2 -0.821 21.4-158.3-102.7 143.4 40.3 -2.7 34.4 98 98 A L + 0 0 0 50,-2.4 51,-0.2 -2,-0.4 -1,-0.1 0.574 61.4 91.4 -95.2 -10.3 41.2 -5.8 32.4 99 99 A D - 0 0 0 49,-0.7 2,-0.3 19,-0.1 -63,-0.2 -0.357 54.6-160.3 -83.7 163.8 42.0 -8.3 35.2 100 100 A S - 0 0 0 -65,-0.3 2,-0.3 -2,-0.1 -63,-0.2 -0.927 8.2-176.5-137.9 163.4 39.5 -10.7 36.9 101 101 A T - 0 0 13 16,-0.3 155,-0.2 -2,-0.3 13,-0.1 -0.982 30.5-165.0-156.9 162.4 39.5 -12.5 40.2 102 102 A I S S- 0 0 28 1,-0.5 2,-0.3 -2,-0.3 3,-0.1 0.159 77.4 -57.1-131.3 6.6 37.6 -15.0 42.4 103 103 A G S > S- 0 0 25 1,-0.1 3,-1.5 154,-0.1 -1,-0.5 -0.837 70.2 -57.3 142.7-179.1 39.6 -14.2 45.5 104 104 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.3 49,-0.0 0.683 126.8 62.2 -70.3 -14.7 43.0 -14.1 47.1 105 105 A H T 3 S+ 0 0 124 -3,-0.1 -1,-0.3 2,-0.0 5,-0.1 0.402 72.6 134.7 -91.2 3.7 43.4 -17.7 46.2 106 106 A T < + 0 0 11 -3,-1.5 2,-0.2 3,-0.1 -72,-0.0 -0.273 29.9 163.7 -55.3 131.4 43.2 -17.1 42.5 107 107 A N > - 0 0 78 -68,-0.0 3,-1.2 -71,-0.0 -71,-0.2 -0.731 52.5 -67.5-138.9-172.8 45.9 -19.0 40.6 108 108 A E T 3 S+ 0 0 88 1,-0.3 -67,-0.2 -2,-0.2 -74,-0.1 0.799 131.1 36.8 -49.7 -38.8 47.0 -20.3 37.2 109 109 A Q T 3 S+ 0 0 170 2,-0.1 -1,-0.3 -76,-0.1 -3,-0.1 0.496 87.3 122.3 -96.8 -5.2 44.1 -22.8 36.9 110 110 A S < - 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0 0 25 -3,-2.1 2,-0.4 -7,-0.2 -3,-0.1 -0.603 68.8-143.3 -89.4 150.2 17.1 6.5 30.3 217 217 A T - 0 0 73 -2,-0.2 -28,-2.2 -30,-0.2 -27,-1.7 -0.852 15.9-166.6-111.0 146.7 16.9 7.0 34.1 218 218 A Y E +f 190 0B 68 -2,-0.4 -27,-0.2 -29,-0.2 2,-0.2 -0.945 7.8 178.7-133.4 155.6 19.8 7.6 36.4 219 219 A G E -f 191 0B 7 -29,-2.3 -27,-2.7 -2,-0.3 2,-0.3 -0.685 21.5-114.8-136.8-168.9 20.4 7.6 40.2 220 220 A F E +f 192 0B 71 -29,-0.3 2,-0.3 -2,-0.2 -27,-0.2 -0.962 31.6 151.5-137.7 152.8 23.2 8.1 42.7 221 221 A D E -f 193 0B 43 -29,-2.3 -27,-3.0 -2,-0.3 -26,-0.3 -0.964 28.9-123.6-164.4 176.9 25.0 6.0 45.2 222 222 A T - 0 0 61 -2,-0.3 26,-0.1 -29,-0.2 -29,-0.1 -0.924 6.9-149.4-131.8 157.5 28.3 5.5 47.1 223 223 A a - 0 0 16 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.854 35.8-133.8 -88.4 -43.3 30.7 2.6 47.5 224 224 A G S S+ 0 0 64 1,-0.3 2,-0.3 0, 0.0 -2,-0.0 0.319 79.5 31.2 103.7 -3.2 31.8 3.8 50.9 225 225 A Y S S- 0 0 125 -30,-0.1 2,-2.1 3,-0.0 -1,-0.3 -0.951 110.9 -63.1-166.6 176.0 35.5 3.3 50.0 226 226 A A + 0 0 35 -2,-0.3 -30,-0.1 1,-0.2 3,-0.0 -0.518 62.3 163.5 -75.0 82.5 37.9 3.4 47.0 227 227 A a + 0 0 24 -2,-2.1 2,-0.3 -72,-0.0 -1,-0.2 0.591 54.5 9.2 -81.2 -14.0 36.1 0.6 45.2 228 228 A S S > S- 0 0 1 -3,-0.1 3,-2.0 -74,-0.1 4,-0.3 -0.950 91.4 -74.5-156.6 176.5 37.6 1.0 41.7 229 229 A D T >> S+ 0 0 0 -2,-0.3 4,-1.1 1,-0.3 3,-1.0 0.611 110.2 77.0 -53.8 -21.9 40.2 2.9 39.6 230 230 A H H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.868 88.3 63.7 -58.6 -31.8 38.4 6.2 39.5 231 231 A A H <> S+ 0 0 0 -3,-2.0 4,-2.9 1,-0.2 -1,-0.3 0.843 95.3 57.6 -60.5 -34.6 39.8 6.5 43.1 232 232 A S H <> S+ 0 0 8 -3,-1.0 4,-0.8 -4,-0.3 -1,-0.2 0.900 110.5 42.0 -63.2 -42.1 43.4 6.5 41.7 233 233 A W H <>S+ 0 0 2 -4,-1.1 5,-2.5 -3,-0.3 3,-0.3 0.909 114.5 52.8 -70.1 -40.4 42.7 9.5 39.5 234 234 A H H ><5S+ 0 0 71 -4,-2.5 3,-1.8 -38,-0.3 -2,-0.2 0.935 108.6 48.3 -58.8 -51.2 40.8 11.2 42.3 235 235 A N H 3<5S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.711 105.9 59.0 -66.1 -19.4 43.6 10.8 44.8 236 236 A A T 3<5S- 0 0 6 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.514 125.1-103.5 -85.8 -4.9 46.0 12.2 42.3 237 237 A G T < 5S+ 0 0 61 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.668 78.6 128.8 94.3 19.6 43.9 15.4 42.2 238 238 A Y < - 0 0 26 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.3 -0.806 66.8-101.0-109.6 149.6 42.1 14.8 38.9 239 239 A P + 0 0 35 0, 0.0 -64,-2.0 0, 0.0 2,-0.3 -0.509 51.2 177.3 -67.7 125.8 38.3 15.1 38.2 240 240 A A E -e 175 0A 0 -2,-0.3 -42,-2.8 -66,-0.2 2,-0.3 -0.929 14.2-178.0-133.6 156.8 36.9 11.5 38.1 241 241 A A E -e 176 0A 0 -66,-1.9 -64,-2.3 -2,-0.3 -47,-0.1 -0.985 10.5-161.9-150.2 157.9 33.6 9.9 37.6 242 242 A M - 0 0 4 -49,-0.4 -49,-2.4 -2,-0.3 2,-0.5 -0.815 5.2-161.3-147.9 103.5 32.0 6.4 37.5 243 243 A P E -G 192 0B 0 0, 0.0 -64,-0.5 0, 0.0 2,-0.3 -0.757 26.7-155.6 -83.3 127.7 28.6 5.6 36.1 244 244 A F E -G 191 0B 14 -53,-4.3 -53,-2.4 -2,-0.5 -63,-0.1 -0.759 25.2-115.4-109.4 153.8 27.7 2.1 37.6 245 245 A E S S- 0 0 0 -65,-1.4 -59,-0.4 -66,-0.3 2,-0.3 0.712 86.0 -33.1 -57.9 -24.1 25.4 -0.7 36.5 246 246 A S S S- 0 0 0 -55,-0.2 5,-0.1 -62,-0.1 -55,-0.1 -0.943 89.9 -36.6-171.9-169.1 23.0 -0.2 39.5 247 247 A K > - 0 0 55 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.435 60.9-113.9 -68.1 146.8 22.5 0.7 43.1 248 248 A F G > S+ 0 0 63 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.840 116.8 52.8 -53.2 -35.4 25.4 -0.6 45.2 249 249 A N G 3 S+ 0 0 122 1,-0.2 -1,-0.3 -64,-0.0 -2,-0.0 0.599 109.1 49.9 -78.6 -10.1 23.1 -3.0 47.0 250 250 A D G < S+ 0 0 52 -3,-2.0 -1,-0.2 2,-0.0 -2,-0.2 0.196 78.8 138.8-111.8 16.4 21.9 -4.5 43.8 251 251 A Y S < S- 0 0 97 -3,-0.9 -67,-0.1 -4,-0.2 -3,-0.0 -0.171 73.5 -68.9 -64.5 156.1 25.2 -5.2 42.0 252 252 A N > - 0 0 0 -69,-0.2 3,-1.3 1,-0.2 -1,-0.2 -0.208 46.4-152.9 -44.2 111.0 25.8 -8.4 40.1 253 253 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.554 86.5 63.0 -68.9 -8.8 25.9 -11.0 42.9 254 254 A R T > S+ 0 0 95 10,-0.1 3,-1.1 5,-0.1 5,-0.3 0.394 70.5 124.3 -99.2 2.2 28.1 -13.4 40.9 255 255 A I T < S+ 0 0 26 -3,-1.3 3,-0.1 1,-0.2 4,-0.1 -0.312 74.3 23.2 -63.7 149.9 31.1 -11.1 40.6 256 256 A H T 3 S+ 0 0 74 1,-0.3 2,-0.3 -139,-0.3 -1,-0.2 0.746 108.8 94.3 65.7 24.1 34.4 -12.6 41.8 257 257 A T S X S- 0 0 57 -3,-1.1 3,-1.3 -156,-0.0 -143,-0.4 -0.850 93.1-102.2-132.7 172.6 33.0 -16.2 41.3 258 258 A T T 3 S+ 0 0 68 -2,-0.3 -3,-0.1 1,-0.3 -146,-0.1 0.599 116.8 67.8 -71.2 -9.9 33.3 -18.7 38.5 259 259 A Q T 3 + 0 0 96 -5,-0.3 2,-2.2 1,-0.1 -1,-0.3 0.346 61.6 112.3 -93.4 6.2 29.7 -17.7 37.6 260 260 A D < + 0 0 1 -3,-1.3 -145,-2.9 -6,-0.2 2,-0.2 -0.530 51.1 142.3 -79.7 79.2 30.5 -14.1 36.5 261 261 A T - 0 0 30 -2,-2.2 3,-0.4 -147,-0.2 4,-0.3 -0.731 67.8-110.3-118.1 166.0 29.7 -14.9 32.9 262 262 A L S > S+ 0 0 18 -2,-0.2 3,-1.7 1,-0.2 4,-0.3 0.907 118.2 58.3 -59.8 -42.0 28.0 -13.0 30.0 263 263 A A T 3 S+ 0 0 73 1,-0.3 -1,-0.2 3,-0.1 5,-0.1 0.835 106.3 48.9 -57.3 -34.9 25.0 -15.4 30.3 264 264 A N T 3 S+ 0 0 46 -3,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.426 118.6 38.1 -88.2 1.1 24.5 -14.4 33.9 265 265 A S S < S- 0 0 20 -3,-1.7 -81,-0.2 -4,-0.3 -3,-0.1 0.556 129.6 -41.5-111.4 -96.0 24.7 -10.6 33.2 266 266 A D > - 0 0 26 -4,-0.3 3,-1.9 -83,-0.1 6,-0.2 -0.757 46.1-170.7-144.9 95.3 23.0 -9.5 29.9 267 267 A P T 3 S+ 0 0 76 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.687 90.0 56.7 -55.3 -25.0 23.6 -11.7 26.9 268 268 A T T 3 S- 0 0 85 -6,-0.1 -245,-0.2 -5,-0.1 -5,-0.0 0.671 98.3-140.4 -83.5 -18.2 22.0 -9.1 24.6 269 269 A G <> + 0 0 0 -3,-1.9 4,-1.8 -87,-0.2 -247,-0.1 0.613 60.8 132.3 69.8 11.2 24.5 -6.5 25.8 270 270 A S H > S+ 0 0 60 2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.832 70.8 48.9 -65.2 -32.7 21.7 -3.9 25.9 271 271 A H H >> S+ 0 0 3 2,-0.2 3,-1.4 1,-0.2 4,-1.0 0.970 111.0 48.2 -71.5 -51.3 22.6 -2.7 29.3 272 272 A A H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.821 102.1 67.2 -56.7 -31.0 26.3 -2.3 28.5 273 273 A K H 3X S+ 0 0 71 -4,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.854 94.5 56.5 -59.2 -35.8 25.3 -0.4 25.4 274 274 A K H S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.5 0.954 110.5 47.3 -61.7 -51.2 31.6 12.0 26.7 283 283 A A H X5S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.925 116.2 44.7 -58.0 -47.1 34.6 11.4 24.4 284 284 A I H X5S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.961 118.7 40.7 -63.2 -53.5 33.1 13.5 21.6 285 285 A E H <5S+ 0 0 3 -4,-2.8 3,-0.5 -5,-0.2 4,-0.3 0.968 123.3 37.4 -61.5 -56.4 31.9 16.4 23.7 286 286 A M H ><5S+ 0 0 0 -4,-2.6 3,-0.6 -5,-0.3 -1,-0.2 0.798 116.2 54.4 -67.9 -28.3 35.0 16.6 26.0 287 287 A G H 3<