==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-07 3B3W . COMPND 2 MOLECULE: BACTERIAL LEUCYL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PROTEOLYTICUS; . AUTHOR N.J.ATAIE,Q.Q.HOANG,M.P.D.ZAHNISER,A.MILNE,G.A.PETSKO, . 292 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 68.2 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 . 13 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 30.8 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 1 1 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 0 103 0, 0.0 285,-0.0 0, 0.0 200,-0.0 0.000 360.0 360.0 360.0 137.7 33.7 23.1 27.2 2 2 A P - 0 0 27 0, 0.0 287,-0.0 0, 0.0 2,-0.0 -0.264 360.0-100.6 -74.8 157.2 33.1 24.1 23.6 3 3 A P - 0 0 97 0, 0.0 2,-0.6 0, 0.0 286,-0.0 -0.350 46.5 -96.1 -64.4 157.5 29.7 24.6 21.9 4 4 A I + 0 0 40 1,-0.2 3,-0.0 2,-0.0 281,-0.0 -0.688 64.8 144.9 -78.6 118.1 28.4 21.8 19.7 5 5 A T + 0 0 82 -2,-0.6 3,-0.3 280,-0.0 -1,-0.2 0.374 47.1 77.0-134.4 -2.0 29.5 22.7 16.1 6 6 A Q >> + 0 0 54 1,-0.2 4,-3.0 2,-0.1 3,-0.5 0.056 49.7 131.6-106.3 29.8 30.3 19.5 14.3 7 7 A Q H 3> + 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.803 69.2 55.3 -50.9 -42.3 26.8 18.3 13.6 8 8 A A H 3> S+ 0 0 82 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.950 116.6 36.6 -57.6 -46.6 27.4 17.6 9.9 9 9 A T H <> S+ 0 0 41 -3,-0.5 4,-2.3 2,-0.2 5,-0.3 0.936 118.5 48.2 -73.9 -49.9 30.3 15.2 10.7 10 10 A V H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -3,-0.2 0.935 113.5 47.5 -58.8 -46.4 28.9 13.7 13.9 11 11 A T H < S+ 0 0 84 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.811 113.4 49.7 -68.2 -25.2 25.5 12.9 12.3 12 12 A A H < S+ 0 0 51 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.857 119.0 35.1 -75.1 -39.2 27.2 11.5 9.2 13 13 A W H >< S+ 0 0 36 -4,-2.3 3,-1.7 1,-0.2 4,-0.4 0.808 99.4 73.9 -95.0 -29.4 29.6 9.2 11.1 14 14 A L G >< S+ 0 0 11 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.865 94.0 54.4 -50.1 -45.5 27.5 8.0 14.1 15 15 A P G 3 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.677 95.9 69.5 -66.1 -13.2 25.3 5.7 12.0 16 16 A Q G < S+ 0 0 72 -3,-1.7 -2,-0.2 -4,-0.2 2,-0.1 0.617 70.7 110.9 -77.4 -16.1 28.5 3.9 10.7 17 17 A V < - 0 0 3 -3,-1.5 2,-0.6 -4,-0.4 111,-0.1 -0.417 60.8-152.0 -59.8 132.1 29.2 2.5 14.2 18 18 A D >> - 0 0 63 1,-0.1 4,-1.6 -2,-0.1 3,-1.0 -0.927 18.3-159.1-123.5 110.4 28.6 -1.3 13.8 19 19 A A H 3> S+ 0 0 19 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.769 94.6 61.0 -55.4 -29.1 27.4 -3.4 16.8 20 20 A S H 3> S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.835 102.3 49.5 -70.6 -34.0 28.7 -6.5 15.0 21 21 A Q H <> S+ 0 0 89 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.888 111.1 51.3 -68.5 -38.1 32.3 -5.2 15.0 22 22 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.934 112.1 44.4 -64.8 -47.0 32.0 -4.4 18.7 23 23 A T H X S+ 0 0 22 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.835 109.5 58.4 -68.6 -28.7 30.7 -7.9 19.5 24 24 A G H X S+ 0 0 32 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.943 109.2 44.0 -59.1 -49.9 33.5 -9.3 17.2 25 25 A T H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.892 115.5 48.1 -63.6 -46.1 36.1 -7.6 19.4 26 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.967 110.7 48.2 -57.8 -56.7 34.5 -8.6 22.7 27 27 A S H < S+ 0 0 50 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.819 113.6 50.2 -63.1 -27.4 34.0 -12.3 21.8 28 28 A S H >X S+ 0 0 51 -4,-1.5 3,-0.8 -5,-0.3 4,-0.5 0.905 110.4 47.1 -69.6 -46.5 37.6 -12.3 20.7 29 29 A L H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.862 108.4 56.8 -63.2 -34.5 39.1 -10.7 23.8 30 30 A E T 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.590 93.8 69.3 -73.7 -13.2 37.0 -13.1 26.0 31 31 A S T <4 S+ 0 0 92 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.742 74.4 95.4 -81.5 -23.7 38.6 -16.0 24.3 32 32 A F S << S- 0 0 33 -3,-1.0 80,-0.2 -4,-0.5 3,-0.1 -0.488 90.7-121.9 -57.3 136.6 42.0 -15.2 26.0 33 33 A T S S- 0 0 66 1,-0.2 79,-2.0 -2,-0.1 2,-0.3 0.941 83.5 -28.5 -53.8 -50.5 42.0 -17.5 29.0 34 34 A N - 0 0 0 77,-0.2 -1,-0.2 74,-0.1 11,-0.2 -0.915 49.8-138.1-146.6 173.2 42.4 -14.4 31.1 35 35 A R + 0 0 0 77,-0.3 65,-0.3 -2,-0.3 2,-0.0 -0.139 44.1 158.4-123.9 39.8 43.9 -11.0 30.6 36 36 A F > - 0 0 10 63,-0.2 3,-1.6 71,-0.2 6,-0.4 -0.319 50.8-118.2 -71.4 146.5 45.6 -10.7 34.1 37 37 A Y T 3 S+ 0 0 42 1,-0.3 38,-1.3 63,-0.2 37,-0.3 0.761 109.8 41.4 -60.7 -27.4 48.5 -8.3 34.4 38 38 A T T 3 S+ 0 0 72 35,-0.1 -1,-0.3 36,-0.1 2,-0.2 0.448 97.4 93.3-100.0 -1.0 51.1 -11.0 35.3 39 39 A T S <> S- 0 0 7 -3,-1.6 4,-1.9 1,-0.1 5,-0.2 -0.506 79.3-123.3 -95.5 158.5 50.1 -13.8 32.9 40 40 A T H > S+ 0 0 93 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 117.1 55.6 -65.8 -32.8 51.3 -14.7 29.4 41 41 A S H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 105.2 51.4 -61.0 -44.8 47.6 -14.3 28.3 42 42 A G H > S+ 0 0 0 -6,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.878 113.2 44.1 -58.6 -41.2 47.5 -10.8 29.7 43 43 A A H X S+ 0 0 24 -4,-1.9 4,-1.7 2,-0.2 33,-0.2 0.894 111.7 53.1 -71.3 -40.7 50.6 -9.8 27.8 44 44 A Q H X S+ 0 0 111 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.858 104.7 56.6 -59.8 -38.8 49.4 -11.5 24.6 45 45 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.863 104.2 52.6 -63.0 -39.5 46.2 -9.5 24.9 46 46 A S H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.906 109.7 47.6 -63.0 -43.0 48.1 -6.3 24.9 47 47 A D H X S+ 0 0 70 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.909 109.4 55.8 -64.5 -37.9 50.0 -7.3 21.7 48 48 A W H X S+ 0 0 69 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.913 110.0 43.3 -60.5 -50.7 46.7 -8.3 20.1 49 49 A I H X S+ 0 0 1 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.924 112.7 53.0 -59.9 -46.0 45.1 -4.8 20.7 50 50 A A H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.904 111.9 46.4 -54.6 -41.2 48.3 -3.1 19.6 51 51 A S H X S+ 0 0 80 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.938 113.4 48.2 -69.4 -43.9 48.2 -5.1 16.4 52 52 A E H X S+ 0 0 67 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.915 113.4 46.4 -61.2 -49.9 44.5 -4.4 15.9 53 53 A W H X S+ 0 0 0 -4,-3.4 4,-2.1 2,-0.2 -1,-0.2 0.875 112.4 51.5 -61.3 -39.6 44.9 -0.7 16.4 54 54 A Q H X S+ 0 0 92 -4,-2.4 4,-0.6 -5,-0.3 -2,-0.2 0.921 109.1 50.1 -59.5 -46.5 47.9 -0.6 14.1 55 55 A A H >< S+ 0 0 76 -4,-2.7 3,-0.5 1,-0.2 4,-0.3 0.886 113.5 47.6 -59.6 -38.5 45.9 -2.4 11.4 56 56 A L H 3< S+ 0 0 53 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.905 118.5 36.2 -71.8 -41.5 43.1 0.1 11.8 57 57 A S H >< S+ 0 0 3 -4,-2.1 3,-1.1 1,-0.2 6,-0.2 0.221 83.8 111.0 -99.1 11.9 45.2 3.3 11.7 58 58 A A T << S+ 0 0 61 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.1 0.881 85.7 34.3 -58.1 -47.8 47.8 2.2 9.1 59 59 A S T 3 S+ 0 0 116 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.391 94.9 112.3 -88.4 1.5 46.8 4.5 6.3 60 60 A L S X S- 0 0 10 -3,-1.1 3,-1.1 1,-0.1 2,-0.1 -0.632 70.4-123.5 -81.4 122.9 45.8 7.3 8.7 61 61 A P T 3 S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.420 89.0 10.2 -66.4 141.9 48.0 10.4 8.5 62 62 A N T 3 S+ 0 0 100 1,-0.2 21,-3.1 20,-0.1 2,-0.3 0.691 98.7 124.9 70.3 25.3 49.7 11.5 11.7 63 63 A A E < +A 82 0A 27 -3,-1.1 2,-0.3 19,-0.2 19,-0.2 -0.897 30.2 170.7-115.9 141.9 48.8 8.3 13.7 64 64 A S E -A 81 0A 42 17,-2.0 17,-3.2 -2,-0.3 2,-0.4 -0.985 20.7-142.4-148.6 161.3 50.9 5.8 15.6 65 65 A V E +A 80 0A 27 -2,-0.3 2,-0.3 15,-0.3 15,-0.3 -0.984 23.4 172.7-125.6 125.7 50.5 2.9 18.1 66 66 A K E -A 79 0A 137 13,-3.2 13,-2.6 -2,-0.4 2,-0.5 -0.887 27.5-136.6-129.0 160.4 52.7 2.1 21.0 67 67 A Q E -A 78 0A 69 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.982 22.5-145.4-113.4 128.1 53.0 -0.2 24.0 68 68 A V E -A 77 0A 25 9,-3.2 9,-1.3 -2,-0.5 2,-0.3 -0.785 12.0-136.4 -93.9 132.6 54.1 1.4 27.3 69 69 A S - 0 0 89 -2,-0.5 2,-0.3 7,-0.2 7,-0.1 -0.640 17.7-162.9 -86.9 148.7 56.2 -0.7 29.6 70 70 A H > - 0 0 16 3,-0.5 3,-0.9 -2,-0.3 2,-0.2 -0.966 25.5-102.0-129.5 145.5 55.4 -0.7 33.4 71 71 A S T 3 S+ 0 0 106 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.435 96.7 14.7 -67.5 134.5 57.7 -1.8 36.3 72 72 A G T 3 S+ 0 0 80 -2,-0.2 2,-0.3 1,-0.0 -1,-0.2 0.356 117.1 53.2 94.2 -5.3 57.1 -5.2 37.9 73 73 A Y S < S- 0 0 15 -3,-0.9 -3,-0.5 2,-0.1 -35,-0.1 -0.985 70.2-130.3-160.8 157.2 54.9 -6.9 35.3 74 74 A N + 0 0 123 -37,-0.3 2,-0.3 -2,-0.3 -36,-0.1 0.653 69.0 107.3 -91.7 -20.5 54.9 -7.6 31.6 75 75 A Q - 0 0 0 -38,-1.3 2,-0.4 -6,-0.1 -5,-0.2 -0.463 57.9-152.1 -64.9 127.1 51.5 -6.4 30.5 76 76 A K - 0 0 76 -2,-0.3 2,-0.2 -33,-0.2 -7,-0.2 -0.792 11.6-123.1-103.3 140.1 51.9 -3.2 28.5 77 77 A S E -A 68 0A 0 -9,-1.3 -9,-3.2 -2,-0.4 2,-0.4 -0.590 27.4-134.8 -74.4 142.7 49.4 -0.4 28.1 78 78 A V E -AB 67 147A 0 69,-2.4 69,-2.7 -11,-0.2 2,-0.4 -0.863 23.3-178.1-101.9 133.8 48.5 0.4 24.5 79 79 A V E -AB 66 146A 11 -13,-2.6 -13,-3.2 -2,-0.4 2,-0.4 -0.985 7.4-173.6-133.0 120.5 48.3 4.0 23.3 80 80 A M E -AB 65 145A 1 65,-2.5 65,-2.7 -2,-0.4 2,-0.4 -0.939 14.7-167.4-106.5 135.6 47.4 5.1 19.8 81 81 A T E -AB 64 144A 26 -17,-3.2 -17,-2.0 -2,-0.4 2,-0.4 -0.926 19.3-163.9-121.9 150.1 47.8 8.8 19.0 82 82 A I E -AB 63 143A 0 61,-2.1 61,-2.4 -2,-0.4 -19,-0.2 -0.987 29.2-129.3-122.8 123.2 46.7 11.1 16.2 83 83 A T - 0 0 63 -21,-3.1 59,-0.1 -2,-0.4 2,-0.1 -0.522 24.5-115.2 -75.7 137.3 48.6 14.4 16.1 84 84 A G - 0 0 7 -2,-0.2 56,-0.3 4,-0.2 57,-0.2 -0.340 10.8-144.6 -72.0 146.9 46.5 17.6 16.0 85 85 A S S S+ 0 0 72 54,-1.9 55,-0.2 56,-0.2 56,-0.1 0.652 93.8 10.9 -89.8 -15.0 46.7 19.8 12.9 86 86 A E S S+ 0 0 117 54,-2.2 55,-0.2 53,-0.1 54,-0.1 0.651 141.2 24.6-131.3 -41.7 46.3 23.1 14.8 87 87 A A E > +c 141 0A 7 53,-3.0 3,-2.2 3,-0.1 55,-0.9 -0.530 63.7 159.0-124.8 66.0 46.7 22.6 18.5 88 88 A P E 3 S+ 0 0 51 0, 0.0 -4,-0.2 0, 0.0 53,-0.1 0.586 73.5 65.8 -62.1 -10.8 48.7 19.3 18.7 89 89 A D E 3 S+ 0 0 96 -3,-0.1 82,-0.9 -6,-0.1 2,-0.5 0.463 85.9 79.0 -89.9 -11.6 49.7 20.4 22.2 90 90 A E E < S- d 0 171A 21 -3,-2.2 52,-2.1 50,-0.1 2,-0.4 -0.902 73.8-151.9-104.4 129.4 46.1 20.0 23.5 91 91 A W E -cd 142 172A 26 80,-3.6 82,-2.9 -2,-0.5 83,-1.1 -0.918 17.1-165.8-117.9 130.1 45.1 16.4 24.2 92 92 A I E -cd 143 174A 0 50,-2.3 52,-2.7 -2,-0.4 2,-0.4 -0.954 20.6-159.6-102.5 124.9 41.7 14.6 24.1 93 93 A V E +cd 144 175A 0 81,-3.1 83,-2.4 -2,-0.5 2,-0.3 -0.895 17.4 172.7-113.7 135.9 41.9 11.1 25.9 94 94 A I E +cd 145 176A 1 50,-2.0 52,-2.8 -2,-0.4 2,-0.3 -0.991 22.6 141.3-132.6 137.3 39.6 8.1 25.5 95 95 A G E -cd 146 177A 0 81,-2.1 83,-2.7 -2,-0.3 2,-0.3 -0.994 29.8-170.0-165.4 166.8 40.4 4.8 27.1 96 96 A G E -c 147 0A 0 50,-1.7 52,-2.4 -2,-0.3 2,-0.3 -0.890 41.2 -92.2-149.6 173.4 39.4 1.6 29.0 97 97 A H E -c 148 0A 0 81,-0.3 25,-0.3 -2,-0.3 52,-0.2 -0.749 19.3-157.5 -96.1 144.0 41.4 -1.1 30.6 98 98 A L + 0 0 0 50,-2.5 51,-0.2 -2,-0.3 2,-0.1 0.577 63.4 91.9 -95.1 -8.6 42.6 -4.3 28.8 99 99 A D - 0 0 0 49,-0.8 2,-0.3 19,-0.0 -63,-0.2 -0.460 54.0-162.7 -87.4 159.3 43.1 -6.6 31.9 100 100 A S - 0 0 1 -65,-0.3 2,-0.3 -2,-0.1 -63,-0.2 -0.885 8.0-176.1-133.6 164.1 40.6 -9.0 33.4 101 101 A T - 0 0 13 16,-0.3 155,-0.2 -2,-0.3 13,-0.2 -0.990 33.1-160.6-156.4 155.7 40.4 -10.7 36.8 102 102 A I S S- 0 0 27 1,-0.5 2,-0.3 -2,-0.3 156,-0.1 0.198 74.1 -75.6-120.4 14.9 38.6 -13.2 39.0 103 103 A G > - 0 0 27 1,-0.2 3,-1.8 154,-0.1 -1,-0.5 -0.782 69.3 -42.3 125.7-168.8 40.1 -11.9 42.2 104 104 A S T 3 S+ 0 0 126 1,-0.4 -1,-0.2 -2,-0.3 0, 0.0 0.751 128.7 65.5 -43.2 -59.9 43.4 -12.0 44.2 105 105 A H T 3 S+ 0 0 133 -3,-0.1 -1,-0.4 2,-0.0 2,-0.2 -0.430 72.5 124.1 107.9 -44.1 43.5 -15.2 43.5 106 106 A T < + 0 0 11 -3,-1.8 2,-0.2 4,-0.1 -72,-0.0 -0.564 28.1 156.5 -82.5 140.6 43.9 -15.1 39.6 107 107 A N > - 0 0 76 -2,-0.2 3,-1.2 -71,-0.0 -71,-0.2 -0.796 57.3 -59.8-146.0-172.9 46.8 -16.9 37.9 108 108 A E T 3 S+ 0 0 72 1,-0.2 -67,-0.1 -2,-0.2 -74,-0.1 0.797 131.2 39.6 -39.9 -43.0 48.0 -18.4 34.5 109 109 A Q T 3 S+ 0 0 150 2,-0.1 -1,-0.2 -76,-0.1 -3,-0.0 0.590 85.1 118.1 -93.8 -14.5 45.1 -20.9 34.4 110 110 A S < - 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0 0 29 -3,-2.0 2,-0.3 -7,-0.3 -3,-0.1 -0.535 68.9-141.9 -87.2 154.6 18.4 7.5 25.0 217 217 A T - 0 0 77 -2,-0.2 -27,-1.6 -30,-0.2 -28,-1.4 -0.831 16.5-167.7-111.1 157.5 17.9 8.3 28.6 218 218 A Y E +f 190 0B 64 -2,-0.3 -27,-0.2 -29,-0.2 2,-0.2 -0.980 8.4 179.1-142.4 157.8 20.6 8.9 31.2 219 219 A G E -f 191 0B 6 -29,-2.4 -27,-2.9 -2,-0.3 2,-0.3 -0.654 22.5-113.3-141.3-166.0 21.1 9.2 34.9 220 220 A F E +f 192 0B 81 -29,-0.3 2,-0.3 -2,-0.2 -27,-0.2 -0.975 32.3 151.1-142.5 145.0 23.8 9.8 37.5 221 221 A D E -f 193 0B 46 -29,-2.3 -27,-2.9 -2,-0.3 2,-0.3 -0.946 30.9-118.3-161.6 177.6 25.5 7.9 40.3 222 222 A T - 0 0 59 -2,-0.3 26,-0.1 -29,-0.2 -29,-0.0 -0.896 6.0-148.9-124.2 153.2 28.7 7.4 42.4 223 223 A a - 0 0 10 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.739 35.4-135.1 -79.1 -33.7 31.1 4.5 42.8 224 224 A G S S+ 0 0 62 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.336 78.4 37.8 86.6 -2.8 31.9 5.6 46.3 225 225 A Y S S- 0 0 113 -30,-0.1 2,-2.1 0, 0.0 -2,-0.2 -0.941 109.5 -69.2-161.1 174.7 35.6 5.0 45.6 226 226 A A + 0 0 34 -2,-0.3 -30,-0.1 1,-0.2 6,-0.0 -0.541 64.9 163.0 -74.9 82.1 38.3 5.3 42.9 227 227 A a + 0 0 3 -2,-2.1 2,-0.3 66,-0.0 -1,-0.2 0.611 49.0 11.8 -88.3 -15.4 36.7 2.6 40.9 228 228 A A S > S- 0 0 0 -3,-0.1 3,-2.2 65,-0.1 4,-0.4 -0.890 91.1 -76.0-156.2 177.0 38.2 2.9 37.4 229 229 A D T >> S+ 0 0 0 1,-0.3 4,-1.2 -2,-0.3 3,-0.7 0.657 113.4 75.9 -64.7 -16.1 40.9 4.6 35.4 230 230 A H H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.893 87.3 63.2 -55.7 -34.9 39.1 7.9 35.3 231 231 A A H <> S+ 0 0 0 -3,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.854 96.7 57.3 -64.8 -29.2 40.3 8.3 38.9 232 232 A S H <> S+ 0 0 7 -3,-0.7 4,-1.7 -4,-0.4 -1,-0.2 0.932 110.2 42.8 -63.1 -48.0 43.9 8.3 37.7 233 233 A W H <>S+ 0 0 2 -4,-1.2 5,-2.4 2,-0.2 -2,-0.2 0.908 115.6 49.7 -64.1 -41.6 43.3 11.3 35.4 234 234 A H H ><5S+ 0 0 72 -4,-2.6 3,-1.6 -38,-0.3 -2,-0.2 0.920 109.2 50.7 -64.2 -45.4 41.2 13.0 38.0 235 235 A N H 3<5S+ 0 0 103 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 106.5 56.4 -62.0 -33.5 43.9 12.6 40.8 236 236 A A T 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.408 126.7 -99.1 -78.9 1.4 46.5 14.0 38.4 237 237 A G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.426 81.2 125.5 98.7 2.3 44.5 17.2 38.0 238 238 A Y < - 0 0 31 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.3 -0.658 67.8-101.9 -96.8 148.0 42.7 16.6 34.6 239 239 A P + 0 0 29 0, 0.0 -64,-1.5 0, 0.0 2,-0.3 -0.533 49.4 177.6 -64.2 125.0 38.9 16.6 33.8 240 240 A A E -e 175 0A 0 -2,-0.3 -42,-2.7 -66,-0.2 2,-0.3 -0.907 11.6-176.1-129.6 154.3 37.7 13.0 33.7 241 241 A A E -e 176 0A 0 -66,-1.7 -64,-2.1 -2,-0.3 -47,-0.1 -0.979 11.1-159.4-147.0 160.2 34.3 11.4 33.1 242 242 A M - 0 0 0 -49,-0.4 -49,-2.2 -2,-0.3 2,-0.5 -0.765 3.6-162.9-146.1 96.6 32.8 8.0 33.1 243 243 A P E -G 192 0B 0 0, 0.0 -64,-0.5 0, 0.0 2,-0.2 -0.716 28.4-160.4 -75.3 123.9 29.6 7.1 31.3 244 244 A F E -G 191 0B 0 -53,-3.1 -53,-2.5 -2,-0.5 -63,-0.1 -0.710 26.8-114.7-117.2 159.3 28.7 3.7 32.9 245 245 A E S S- 0 0 0 -65,-1.0 -59,-0.4 -66,-0.3 -60,-0.3 0.705 85.9 -22.3 -68.0 -21.3 26.4 0.9 31.9 246 246 A S S S- 0 0 0 -55,-0.2 5,-0.1 -61,-0.1 -55,-0.1 -0.931 89.5 -49.5-166.0-179.3 23.9 1.3 34.7 247 247 A K > - 0 0 54 -2,-0.3 3,-1.5 1,-0.1 4,-0.3 -0.406 59.6-113.5 -65.9 153.9 23.2 2.5 38.2 248 248 A F G > S+ 0 0 46 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.873 117.0 52.8 -64.9 -36.2 25.9 1.4 40.5 249 249 A N G 3 S+ 0 0 152 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.603 112.9 49.5 -70.5 -8.2 23.6 -0.9 42.5 250 250 A D G < S+ 0 0 65 -3,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.295 78.7 131.1-115.8 4.8 22.6 -2.5 39.2 251 251 A Y S < S- 0 0 67 -3,-1.0 -67,-0.1 -4,-0.3 -3,-0.0 -0.131 75.1 -59.0 -71.8 162.4 25.8 -3.3 37.4 252 252 A N > - 0 0 0 -69,-0.2 3,-1.4 1,-0.2 -1,-0.2 -0.049 46.3-153.5 -36.1 107.4 26.6 -6.7 35.8 253 253 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.580 86.5 61.3 -70.2 -2.5 26.5 -9.2 38.6 254 254 A R T > S+ 0 0 109 10,-0.1 3,-1.2 5,-0.1 6,-0.3 0.384 70.1 124.6-103.3 1.8 28.9 -11.5 36.9 255 255 A I T < S+ 0 0 14 -3,-1.4 3,-0.1 1,-0.2 4,-0.1 -0.243 73.5 25.2 -63.4 155.1 32.0 -9.3 36.7 256 256 A H T 3 S+ 0 0 61 1,-0.3 2,-0.3 -139,-0.3 -1,-0.2 0.718 108.5 99.0 62.7 22.5 35.2 -10.7 38.2 257 257 A T S X S- 0 0 56 -3,-1.2 3,-1.5 -154,-0.0 -143,-0.5 -0.866 91.6-105.1-127.2 165.2 33.9 -14.2 37.7 258 258 A T T 3 S+ 0 0 64 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 0.664 117.2 63.5 -53.7 -19.2 34.4 -17.0 35.1 259 259 A Q T 3 + 0 0 96 -5,-0.2 2,-2.4 1,-0.1 -1,-0.2 0.306 61.1 114.6 -99.7 9.7 30.9 -16.0 33.8 260 260 A D < + 0 0 0 -3,-1.5 -145,-2.8 -6,-0.3 2,-0.3 -0.511 51.8 145.5 -76.2 77.6 31.6 -12.5 32.7 261 261 A T >> - 0 0 29 -2,-2.4 3,-0.9 -147,-0.2 4,-0.6 -0.737 68.2-107.7-115.2 162.5 30.9 -13.5 29.1 262 262 A L G >4 S+ 0 0 16 -2,-0.3 3,-1.2 1,-0.2 7,-0.1 0.885 118.3 59.4 -55.1 -37.4 29.4 -11.8 26.1 263 263 A A G 34 S+ 0 0 73 1,-0.3 -1,-0.2 3,-0.1 5,-0.1 0.815 105.6 47.3 -62.7 -29.5 26.3 -14.0 26.5 264 264 A N G <4 S+ 0 0 50 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.497 117.7 47.1 -93.9 -3.7 25.7 -12.6 30.0 265 265 A S S << S- 0 0 16 -3,-1.2 -82,-0.2 -4,-0.6 -3,-0.1 0.194 126.2 -55.7 -96.2-136.5 26.1 -9.1 28.7 266 266 A D > - 0 0 34 -84,-1.0 3,-1.8 1,-0.1 6,-0.2 -0.889 47.2-169.6-110.2 98.1 24.4 -8.0 25.6 267 267 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.640 86.8 60.9 -69.2 -8.6 25.4 -10.4 22.9 268 268 A T T 3 S- 0 0 81 -6,-0.1 -245,-0.2 -5,-0.1 -5,-0.0 0.682 101.6-134.6 -77.6 -22.0 23.8 -8.1 20.3 269 269 A G <> + 0 0 0 -3,-1.8 4,-2.5 -87,-0.2 5,-0.1 0.557 65.5 131.3 77.0 7.0 26.2 -5.2 21.3 270 270 A S H > S+ 0 0 66 2,-0.2 4,-0.9 1,-0.2 -88,-0.0 0.876 71.8 43.5 -59.9 -43.5 23.2 -2.9 21.3 271 271 A H H >> S+ 0 0 2 -89,-0.2 4,-1.1 2,-0.2 3,-0.9 0.957 114.1 49.8 -70.0 -46.9 24.1 -1.4 24.7 272 272 A A H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.880 102.3 63.6 -58.8 -35.5 27.9 -1.1 23.9 273 273 A K H 3X S+ 0 0 61 -4,-2.5 4,-2.5 1,-0.2 -1,-0.3 0.876 97.3 57.0 -58.0 -35.7 27.0 0.6 20.7 274 274 A K H S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.2 5,-0.5 0.916 110.1 49.9 -58.4 -46.3 33.1 13.2 21.9 283 283 A A H X5S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.929 115.6 42.9 -62.4 -44.3 36.2 12.4 19.8 284 284 A I H X5S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.956 119.7 41.0 -66.8 -50.9 34.9 14.4 16.9 285 285 A E H X5S+ 0 0 1 -4,-2.8 4,-1.1 -5,-0.2 3,-0.5 0.948 123.0 36.9 -66.6 -51.5 33.6 17.4 18.9 286 286 A M H <5S+ 0 0 1 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.2 0.827 116.1 55.2 -71.2 -28.9 36.5 17.7 21.3 287 287 A G H <