==== 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 19-OCT-07 3B35 . COMPND 2 MOLECULE: BACTERIAL LEUCYL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PROTEOLYTICUS; . AUTHOR N.J.ATAIE,Q.Q.HOANG,G.A.PETSKO,D.RINGE . 291 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 67.7 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 . 19 6.5 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 . 1 0.3 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 . 11 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 30.9 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 0 2 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 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 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 0 102 0, 0.0 285,-0.0 0, 0.0 200,-0.0 0.000 360.0 360.0 360.0 142.4 33.2 23.0 26.9 2 2 A P - 0 0 26 0, 0.0 3,-0.0 0, 0.0 287,-0.0 -0.356 360.0 -98.2 -81.6 155.5 32.5 24.1 23.2 3 3 A P - 0 0 100 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.284 46.2 -97.8 -63.1 156.0 29.2 24.7 21.5 4 4 A I + 0 0 33 1,-0.2 3,-0.1 2,-0.1 281,-0.0 -0.684 65.3 143.1 -77.2 117.0 27.8 21.8 19.4 5 5 A T + 0 0 80 -2,-0.6 3,-0.3 -3,-0.0 -1,-0.2 0.413 46.4 76.0-138.3 -2.6 28.8 22.7 15.9 6 6 A Q > + 0 0 50 1,-0.2 4,-2.9 2,-0.1 3,-0.4 -0.073 51.2 134.1-106.5 36.2 29.7 19.5 14.0 7 7 A Q H > + 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.841 68.2 54.2 -58.2 -40.2 26.2 18.2 13.4 8 8 A A H > S+ 0 0 80 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.935 115.4 39.2 -59.3 -46.4 26.6 17.4 9.8 9 9 A T H > S+ 0 0 42 -3,-0.4 4,-2.2 2,-0.2 5,-0.3 0.940 117.3 48.3 -70.0 -46.8 29.6 15.1 10.5 10 10 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.942 112.7 47.8 -60.3 -47.1 28.2 13.6 13.7 11 11 A T H < S+ 0 0 82 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.777 114.1 48.6 -68.2 -25.0 24.9 12.8 12.2 12 12 A A H < S+ 0 0 50 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.830 118.5 37.3 -75.6 -39.4 26.6 11.2 9.1 13 13 A W H >< S+ 0 0 34 -4,-2.2 3,-1.5 1,-0.1 4,-0.5 0.818 100.6 70.7 -91.2 -29.6 29.0 9.1 11.1 14 14 A L G >< S+ 0 0 8 -4,-2.7 3,-1.6 1,-0.3 -1,-0.1 0.901 95.3 55.5 -54.1 -44.6 26.9 7.9 14.1 15 15 A P G 3 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.687 97.0 66.7 -63.5 -16.8 24.8 5.6 11.9 16 16 A Q G < S+ 0 0 67 -3,-1.5 2,-0.2 -4,-0.2 -2,-0.2 0.603 71.6 110.9 -76.8 -16.6 28.0 3.9 10.7 17 17 A V < - 0 0 3 -3,-1.6 2,-0.6 -4,-0.5 111,-0.1 -0.481 60.3-153.9 -60.1 130.6 28.6 2.5 14.2 18 18 A D >> - 0 0 65 -2,-0.2 4,-1.7 1,-0.1 3,-0.8 -0.927 19.4-158.9-122.7 111.6 28.0 -1.2 13.8 19 19 A A H 3> S+ 0 0 19 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.824 94.8 61.3 -58.6 -29.8 26.9 -3.4 16.7 20 20 A S H 3> S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.850 102.6 49.6 -66.7 -37.3 28.3 -6.5 14.9 21 21 A Q H <> S+ 0 0 81 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.939 111.4 50.5 -61.4 -46.8 31.8 -5.1 14.9 22 22 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.934 112.6 44.3 -59.4 -50.2 31.5 -4.4 18.6 23 23 A T H X S+ 0 0 24 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.806 109.1 58.8 -70.0 -25.3 30.3 -7.9 19.5 24 24 A G H X S+ 0 0 32 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.946 109.4 43.9 -60.2 -46.5 33.0 -9.3 17.2 25 25 A T H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.915 113.7 49.7 -65.7 -45.3 35.6 -7.5 19.3 26 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.943 110.8 49.2 -62.0 -45.6 34.0 -8.6 22.6 27 27 A S H X S+ 0 0 51 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.884 112.1 49.9 -61.5 -38.4 33.7 -12.2 21.6 28 28 A S H >< S+ 0 0 45 -4,-1.9 3,-0.9 -5,-0.2 4,-0.3 0.942 111.8 47.0 -62.9 -48.3 37.4 -12.2 20.5 29 29 A L H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.887 107.7 55.2 -64.3 -37.8 38.6 -10.6 23.8 30 30 A E H 3< S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.625 92.7 73.9 -73.4 -9.0 36.6 -13.0 26.0 31 31 A S T << S+ 0 0 95 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.3 0.634 73.6 93.8 -76.9 -17.9 38.3 -15.9 24.2 32 32 A F S < S- 0 0 34 -3,-1.5 80,-0.2 -4,-0.3 3,-0.1 -0.604 90.3-124.1 -64.8 136.6 41.5 -15.2 26.1 33 33 A T S S- 0 0 74 -2,-0.3 79,-2.5 1,-0.2 2,-0.3 0.946 85.0 -28.6 -53.4 -47.5 41.3 -17.4 29.2 34 34 A N - 0 0 0 77,-0.2 -1,-0.2 74,-0.1 11,-0.2 -0.931 50.0-138.7-150.8 171.0 41.7 -14.2 31.2 35 35 A R + 0 0 0 77,-0.4 65,-0.4 -2,-0.3 66,-0.0 -0.160 44.5 157.4-122.7 38.9 43.4 -10.8 30.6 36 36 A F > - 0 0 18 63,-0.2 3,-1.8 71,-0.2 6,-0.3 -0.324 51.9-115.4 -71.1 148.1 44.9 -10.5 34.1 37 37 A Y T 3 S+ 0 0 46 1,-0.3 38,-1.3 63,-0.2 37,-0.4 0.718 110.1 40.0 -61.7 -24.3 47.9 -8.1 34.4 38 38 A T T 3 S+ 0 0 75 35,-0.1 -1,-0.3 36,-0.1 2,-0.2 0.278 97.4 92.7-108.1 6.3 50.4 -10.8 35.3 39 39 A T S <> S- 0 0 7 -3,-1.8 4,-1.9 1,-0.1 5,-0.2 -0.667 79.7-119.2-100.8 162.4 49.4 -13.7 33.1 40 40 A T H > S+ 0 0 92 -2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.897 116.8 50.9 -63.1 -39.1 50.6 -14.7 29.6 41 41 A S H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.862 106.2 55.5 -68.6 -33.3 47.1 -14.2 28.2 42 42 A G H > S+ 0 0 0 -6,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.884 111.4 44.6 -64.0 -37.4 46.9 -10.7 29.8 43 43 A A H X S+ 0 0 27 -4,-1.9 4,-1.6 2,-0.2 3,-0.3 0.920 112.6 51.1 -72.4 -40.4 50.1 -9.8 28.0 44 44 A Q H X S+ 0 0 103 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.864 102.8 60.0 -65.9 -34.3 48.9 -11.3 24.7 45 45 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.873 102.5 52.8 -62.9 -37.7 45.6 -9.5 24.9 46 46 A S H X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.3 -1,-0.2 0.945 109.3 49.0 -60.2 -47.7 47.5 -6.2 24.8 47 47 A D H X S+ 0 0 56 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.891 109.3 53.3 -56.7 -41.4 49.3 -7.3 21.7 48 48 A W H X S+ 0 0 68 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.926 110.5 45.8 -61.8 -44.7 46.0 -8.3 20.1 49 49 A I H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.928 112.5 50.9 -65.2 -44.2 44.5 -4.9 20.7 50 50 A A H X S+ 0 0 8 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.923 110.9 48.9 -57.2 -45.2 47.7 -3.1 19.4 51 51 A S H X S+ 0 0 84 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.917 112.8 48.3 -63.0 -42.2 47.6 -5.2 16.2 52 52 A E H X S+ 0 0 70 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.964 113.6 45.0 -62.6 -51.6 43.9 -4.4 15.7 53 53 A W H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.881 110.1 55.8 -63.4 -35.7 44.3 -0.7 16.2 54 54 A Q H X S+ 0 0 96 -4,-2.7 4,-1.3 -5,-0.3 -1,-0.2 0.922 103.2 54.6 -61.1 -43.0 47.4 -0.7 14.0 55 55 A A H < S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.7 43.2 -62.1 -26.9 45.4 -2.2 11.2 56 56 A L H < S+ 0 0 32 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.809 112.8 50.5 -83.1 -32.1 42.9 0.7 11.6 57 57 A S H >< S+ 0 0 5 -4,-2.3 3,-1.2 1,-0.2 6,-0.3 0.760 94.5 80.4 -70.2 -18.6 45.6 3.4 11.9 58 58 A A T 3< S+ 0 0 74 -4,-1.3 -1,-0.2 1,-0.5 -2,-0.1 0.504 91.3 49.5 -53.7 -43.5 47.1 2.1 8.9 59 59 A S T 3 S+ 0 0 68 -3,-0.3 -1,-0.5 -4,-0.2 77,-0.2 -0.848 98.8 74.8 111.7 -13.3 45.0 3.7 7.0 60 60 A L S X S- 0 0 11 -3,-1.2 3,-1.2 3,-0.1 73,-0.1 -0.789 73.2-113.6-169.0 114.5 45.0 7.2 8.4 61 61 A P T 3 S+ 0 0 87 0, 0.0 -2,-0.1 0, 0.0 22,-0.0 -0.252 97.3 12.3 -52.2 134.4 47.4 10.2 8.2 62 62 A N T 3 S+ 0 0 98 1,-0.2 21,-1.9 20,-0.1 2,-0.4 0.599 91.6 133.3 79.8 22.8 49.1 11.2 11.5 63 63 A A E < -A 82 0A 27 -3,-1.2 2,-0.3 -6,-0.3 -1,-0.2 -0.837 29.6-177.6-111.8 136.8 48.2 8.1 13.5 64 64 A S E -A 81 0A 42 17,-2.2 17,-2.2 -2,-0.4 2,-0.4 -0.945 12.6-155.2-127.4 147.8 50.5 6.1 15.8 65 65 A V E +A 80 0A 25 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -1.000 23.1 169.0-125.4 127.0 49.9 3.0 17.8 66 66 A K E -A 79 0A 113 13,-2.8 13,-2.9 -2,-0.4 2,-0.5 -0.923 29.0-140.5-132.4 158.6 52.1 2.3 20.8 67 67 A Q E -A 78 0A 67 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.993 20.3-147.2-121.0 124.0 52.3 -0.0 23.8 68 68 A V E -A 77 0A 52 9,-2.9 9,-1.9 -2,-0.5 2,-0.2 -0.776 10.3-140.4 -96.9 125.7 53.4 1.5 27.1 69 69 A S E - 0 0 90 -2,-0.5 2,-0.3 7,-0.2 7,-0.1 -0.500 14.3-158.0 -81.9 154.7 55.4 -0.7 29.5 70 70 A H E > -A 73 0A 15 3,-0.5 3,-0.9 -2,-0.2 2,-0.2 -0.960 24.9 -98.7-133.6 148.5 54.8 -0.5 33.3 71 71 A S T 3 S+ 0 0 105 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.460 97.9 13.3 -72.9 139.0 57.1 -1.5 36.2 72 72 A G T 3 S+ 0 0 79 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.322 116.0 56.6 88.2 -7.9 56.6 -4.8 37.8 73 73 A Y E < S-A 70 0A 14 -3,-0.9 -3,-0.5 2,-0.1 -35,-0.1 -0.977 70.7-129.5-153.1 163.9 54.3 -6.6 35.4 74 74 A N E S+ 0 0 130 -37,-0.4 2,-0.2 -2,-0.3 -36,-0.1 0.650 70.3 104.6 -92.1 -22.4 54.3 -7.6 31.7 75 75 A Q E - 0 0 0 -38,-1.3 2,-0.3 -6,-0.1 -5,-0.2 -0.483 57.8-152.0 -68.8 131.8 50.9 -6.3 30.5 76 76 A K E - 0 0 78 -33,-0.3 2,-0.3 -2,-0.2 -7,-0.2 -0.768 11.4-124.4-105.3 145.8 51.2 -3.1 28.4 77 77 A S E -A 68 0A 0 -9,-1.9 -9,-2.9 -2,-0.3 2,-0.4 -0.654 26.2-135.5 -79.7 145.3 48.7 -0.3 27.9 78 78 A V E -AB 67 147A 0 69,-2.4 69,-2.8 -2,-0.3 2,-0.4 -0.867 22.8-177.2-104.0 134.9 47.8 0.5 24.3 79 79 A V E -AB 66 146A 11 -13,-2.9 -13,-2.8 -2,-0.4 2,-0.5 -0.984 9.3-171.1-133.3 124.9 47.7 4.1 23.1 80 80 A M E -AB 65 145A 0 65,-2.7 65,-2.9 -2,-0.4 2,-0.4 -0.941 13.7-168.6-106.0 134.5 46.7 5.3 19.6 81 81 A T E -AB 64 144A 15 -17,-2.2 -17,-2.2 -2,-0.5 2,-0.4 -0.941 15.7-164.9-120.3 148.8 47.2 8.9 18.8 82 82 A I E -AB 63 143A 1 61,-2.2 61,-2.2 -2,-0.4 2,-0.3 -0.999 28.0-128.2-122.5 127.9 46.1 11.2 16.0 83 83 A T - 0 0 64 -21,-1.9 59,-0.1 -2,-0.4 6,-0.1 -0.577 24.0-117.8 -79.6 131.4 48.0 14.5 15.8 84 84 A G - 0 0 6 -2,-0.3 56,-0.3 4,-0.2 58,-0.2 -0.356 10.2-144.8 -69.7 144.3 45.8 17.6 15.6 85 85 A S S S+ 0 0 55 54,-2.3 55,-0.2 56,-0.2 56,-0.1 0.668 93.3 14.2 -80.0 -18.2 46.1 19.8 12.5 86 86 A E S S+ 0 0 135 54,-2.1 55,-0.2 53,-0.1 54,-0.1 0.669 139.2 22.9-128.6 -41.7 45.6 23.1 14.3 87 87 A A E > +c 141 0A 14 53,-3.1 3,-1.9 3,-0.1 55,-0.8 -0.572 64.2 161.5-130.9 65.9 46.0 22.7 18.0 88 88 A P E 3 S+ 0 0 53 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 0.705 71.5 64.6 -66.1 -13.6 48.1 19.6 18.4 89 89 A D E 3 S+ 0 0 131 -3,-0.1 82,-0.7 -6,-0.1 2,-0.5 0.292 86.7 82.1 -90.9 7.5 49.0 20.5 21.9 90 90 A E E < S- d 0 171A 34 -3,-1.9 52,-2.0 50,-0.1 2,-0.4 -0.973 72.7-154.8-110.9 126.9 45.4 20.2 23.1 91 91 A W E -cd 142 172A 23 80,-3.1 82,-2.4 -2,-0.5 83,-0.9 -0.896 17.8-165.1-117.8 134.7 44.5 16.6 23.8 92 92 A I E -cd 143 174A 0 50,-2.3 52,-2.8 -2,-0.4 2,-0.4 -0.956 19.1-161.8-109.0 124.7 41.2 14.7 23.8 93 93 A V E +cd 144 175A 0 81,-2.7 83,-2.6 -2,-0.5 2,-0.3 -0.891 16.4 171.3-112.0 139.2 41.4 11.3 25.6 94 94 A I E +cd 145 176A 0 50,-2.3 52,-2.5 -2,-0.4 2,-0.3 -0.991 21.7 142.7-137.5 140.0 39.0 8.4 25.3 95 95 A G E -cd 146 177A 0 81,-2.0 83,-2.4 -2,-0.3 2,-0.3 -0.985 30.2-166.7-163.8 168.3 39.7 5.0 26.9 96 96 A G E -c 147 0A 0 50,-1.9 52,-2.5 -2,-0.3 2,-0.3 -0.864 39.3 -94.5-146.5-180.0 38.8 1.8 28.7 97 97 A H E -c 148 0A 0 81,-0.4 25,-0.3 50,-0.3 21,-0.2 -0.819 16.9-156.3-107.2 148.9 40.9 -1.0 30.4 98 98 A L + 0 0 0 50,-2.5 51,-0.2 -2,-0.3 2,-0.1 0.552 63.7 90.9 -98.8 -9.0 42.1 -4.2 28.7 99 99 A D - 0 0 0 49,-0.7 2,-0.3 19,-0.1 -63,-0.2 -0.419 53.9-162.1 -86.9 161.4 42.6 -6.4 31.8 100 100 A S - 0 0 0 -65,-0.4 2,-0.3 -2,-0.1 -63,-0.2 -0.928 7.7-177.2-135.7 164.4 40.0 -8.7 33.4 101 101 A T - 0 0 10 16,-0.3 155,-0.2 -2,-0.3 13,-0.1 -0.991 33.4-156.9-152.9 157.3 39.8 -10.4 36.8 102 102 A I S S- 0 0 25 1,-0.5 2,-0.3 -2,-0.3 3,-0.2 0.156 74.1 -84.0-116.8 15.8 37.8 -12.8 39.0 103 103 A G S > S- 0 0 27 1,-0.1 3,-1.9 154,-0.1 -1,-0.5 -0.751 73.7 -31.5 117.9-165.2 39.2 -11.2 42.1 104 104 A S T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -2,-0.3 49,-0.0 0.693 128.4 60.7 -66.4 -18.1 42.3 -11.5 44.2 105 105 A H T 3 S+ 0 0 125 -3,-0.2 -1,-0.3 2,-0.0 5,-0.1 0.440 73.6 131.6 -87.7 1.2 42.6 -15.3 43.5 106 106 A T < + 0 0 10 -3,-1.9 2,-0.2 3,-0.1 -72,-0.0 -0.295 28.7 155.8 -61.1 133.0 43.0 -14.7 39.7 107 107 A N > - 0 0 79 -71,-0.0 3,-1.2 -68,-0.0 -71,-0.2 -0.736 57.5 -64.2-144.3-173.1 46.0 -16.6 38.1 108 108 A E T 3 S+ 0 0 75 1,-0.3 -67,-0.2 -2,-0.2 -74,-0.1 0.834 131.5 37.8 -50.7 -41.3 47.3 -18.1 34.9 109 109 A Q T 3 S+ 0 0 140 2,-0.1 -1,-0.3 -76,-0.1 -3,-0.1 0.553 86.5 123.4 -92.1 -6.8 44.5 -20.7 34.6 110 110 A S < - 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0 0 63 88,-0.1 2,-1.7 -67,-0.1 69,-0.2 -0.966 63.0-148.1-131.6 118.3 24.4 -4.7 30.4 184 184 A K + 0 0 94 -2,-0.4 62,-0.1 81,-0.3 67,-0.1 -0.591 31.5 161.3 -87.3 82.9 21.2 -2.6 30.7 185 185 A G + 0 0 24 -2,-1.7 2,-0.2 60,-0.3 -1,-0.2 0.626 58.0 37.8 -75.0 -18.3 20.6 -3.1 34.4 186 186 A S S S- 0 0 11 2,-0.4 5,-0.0 59,-0.4 0, 0.0 -0.751 89.4-100.3-129.0 173.4 18.3 -0.1 34.8 187 187 A A S S+ 0 0 81 -2,-0.2 30,-0.2 31,-0.0 -1,-0.1 0.881 100.1 82.0 -61.5 -39.5 15.4 1.8 33.0 188 188 A Q S S- 0 0 52 1,-0.1 -2,-0.4 28,-0.1 30,-0.2 -0.346 71.9-145.7 -68.7 149.1 17.9 4.4 31.9 189 189 A D S S+ 0 0 21 28,-1.4 2,-0.4 1,-0.2 29,-0.2 0.860 85.6 21.7 -76.3 -39.0 20.1 3.9 28.8 190 190 A V E -f 218 0B 0 27,-1.7 29,-2.2 -6,-0.1 2,-0.5 -0.994 62.4-166.1-135.7 135.8 23.2 5.8 30.2 191 191 A V E -fG 219 244B 0 53,-2.4 53,-3.1 -2,-0.4 2,-0.4 -0.973 15.8-145.5-125.2 114.9 24.1 6.6 33.8 192 192 A F E -fG 220 243B 0 27,-2.8 29,-2.4 -2,-0.5 2,-0.4 -0.655 13.9-132.4 -82.0 129.8 26.8 9.2 34.3 193 193 A I E -fG 221 242B 0 49,-2.7 49,-0.5 -2,-0.4 29,-0.2 -0.691 18.0-169.1 -83.2 132.3 29.1 8.7 37.3 194 194 A T > + 0 0 68 27,-2.5 3,-0.5 -2,-0.4 2,-0.3 0.527 57.7 82.6-106.8 -10.7 29.5 11.8 39.3 195 195 A D T 3 S+ 0 0 30 26,-0.3 3,-0.1 1,-0.2 28,-0.1 -0.774 102.2 11.6 -94.3 144.2 32.4 11.0 41.7 196 196 A Y T 3 S+ 0 0 93 -2,-0.3 38,-0.3 1,-0.3 2,-0.3 0.770 115.6 97.2 60.3 28.3 36.0 11.4 40.5 197 197 A T S < S- 0 0 14 -3,-0.5 2,-0.5 37,-0.1 -1,-0.3 -0.918 79.0-108.0-139.7 166.3 34.6 13.2 37.4 198 198 A D > - 0 0 52 42,-2.9 4,-2.8 -2,-0.3 5,-0.2 -0.841 16.3-151.3-102.3 128.3 34.0 16.8 36.3 199 199 A S H > S+ 0 0 86 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.789 94.8 55.1 -74.2 -29.9 30.4 18.1 36.3 200 200 A N H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 114.0 41.7 -64.7 -44.7 31.0 20.6 33.5 201 201 A F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.936 115.4 50.6 -66.3 -45.0 32.3 17.9 31.2 202 202 A T H X S+ 0 0 4 -4,-2.8 4,-1.7 38,-0.3 -2,-0.2 0.942 110.4 48.5 -59.7 -46.2 29.6 15.4 32.4 203 203 A Q H X S+ 0 0 98 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.885 108.0 56.3 -63.5 -35.8 26.8 17.9 31.7 204 204 A Y H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.919 103.6 53.6 -57.9 -44.5 28.4 18.6 28.2 205 205 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.880 104.8 54.6 -58.5 -36.4 28.1 14.9 27.5 206 206 A T H X S+ 0 0 4 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.855 104.5 54.6 -65.3 -33.4 24.4 15.1 28.4 207 207 A Q H X S+ 0 0 99 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.899 107.1 49.7 -61.9 -41.4 24.1 17.9 25.8 208 208 A L H X>S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 5,-0.5 0.900 110.4 51.5 -63.1 -42.4 25.6 15.5 23.2 209 209 A M H X5S+ 0 0 2 -4,-2.2 4,-2.5 3,-0.2 -2,-0.2 0.965 110.2 48.5 -53.1 -54.2 23.0 12.9 24.3 210 210 A D H <5S+ 0 0 92 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.862 120.3 36.7 -58.4 -40.0 20.2 15.4 23.9 211 211 A E H <5S+ 0 0 95 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.914 132.3 21.1 -76.8 -48.3 21.3 16.5 20.4 212 212 A Y H <5S+ 0 0 21 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.637 131.2 33.8-107.3 -21.5 22.6 13.3 18.9 213 213 A L ><< + 0 0 18 -4,-2.5 3,-1.8 -5,-0.5 -1,-0.2 -0.420 69.2 155.9-128.5 53.9 21.0 10.4 20.8 214 214 A P T 3 + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.685 66.2 58.1 -64.1 -21.2 17.6 12.0 21.6 215 215 A S T 3 S+ 0 0 111 -3,-0.1 2,-0.2 -6,-0.1 -5,-0.1 0.591 91.3 88.7 -84.1 -10.7 15.6 8.8 22.1 216 216 A L < - 0 0 28 -3,-1.8 2,-0.3 -7,-0.2 -3,-0.1 -0.532 67.6-143.2 -85.1 151.6 17.9 7.5 24.8 217 217 A T - 0 0 75 -2,-0.2 -27,-1.7 -30,-0.2 -28,-1.4 -0.830 17.5-169.3-108.9 158.1 17.3 8.3 28.5 218 218 A Y E +f 190 0B 66 -2,-0.3 -27,-0.2 -29,-0.2 2,-0.2 -0.981 11.2 174.3-147.5 156.0 20.0 9.0 31.1 219 219 A G E -f 191 0B 7 -29,-2.2 -27,-2.8 -2,-0.3 2,-0.3 -0.667 24.2-113.2-139.2-163.1 20.6 9.4 34.8 220 220 A F E +f 192 0B 69 -29,-0.3 2,-0.3 -2,-0.2 -27,-0.2 -0.959 31.2 153.3-143.3 150.1 23.4 9.9 37.3 221 221 A D E -f 193 0B 43 -29,-2.4 -27,-2.5 -2,-0.3 2,-0.3 -0.958 31.5-113.2-162.8 176.5 25.0 7.9 40.1 222 222 A T - 0 0 59 -2,-0.3 26,-0.1 -29,-0.2 -29,-0.1 -0.900 4.7-149.5-116.4 153.4 28.2 7.4 42.1 223 223 A a - 0 0 11 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.810 34.6-136.5 -75.5 -39.1 30.6 4.5 42.4 224 224 A G S S+ 0 0 62 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.357 78.5 42.1 93.8 -5.4 31.5 5.5 45.9 225 225 A Y S S- 0 0 122 -30,-0.1 2,-2.2 3,-0.0 -2,-0.2 -0.938 109.2 -75.4-159.3 169.2 35.2 4.9 45.2 226 226 A A + 0 0 35 -2,-0.3 -72,-0.1 1,-0.2 -30,-0.1 -0.545 64.0 168.5 -74.8 79.4 37.8 5.5 42.5 227 227 A a + 0 0 17 -2,-2.2 2,-0.3 -73,-0.0 -1,-0.2 0.625 49.4 4.4 -82.9 -18.6 36.2 2.6 40.6 228 228 A S S > S- 0 0 0 -3,-0.1 3,-1.9 -74,-0.1 4,-0.3 -0.899 91.9 -69.8-155.4-173.2 37.9 3.0 37.2 229 229 A D T >> S+ 0 0 0 1,-0.3 4,-1.2 -2,-0.3 3,-1.0 0.618 109.9 77.8 -68.3 -16.7 40.5 4.9 35.1 230 230 A H H 3> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.849 88.6 62.9 -53.4 -35.5 38.7 8.2 35.0 231 231 A A H <> S+ 0 0 0 -3,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.823 95.4 57.8 -63.6 -30.4 39.9 8.7 38.6 232 232 A S H <> S+ 0 0 6 -3,-1.0 4,-1.3 -4,-0.3 -1,-0.2 0.926 111.1 42.1 -63.9 -44.1 43.5 8.6 37.4 233 233 A W H <>S+ 0 0 2 -4,-1.2 5,-2.3 2,-0.2 4,-0.3 0.939 114.9 51.4 -66.6 -44.8 42.9 11.6 35.1 234 234 A H H ><5S+ 0 0 71 -4,-2.8 3,-1.7 -38,-0.3 -2,-0.2 0.921 108.9 49.8 -55.6 -47.9 40.8 13.3 37.7 235 235 A N H 3<5S+ 0 0 103 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.3 57.6 -66.4 -27.1 43.5 12.9 40.4 236 236 A A T 3<5S- 0 0 8 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.435 125.8-101.1 -83.6 0.6 46.1 14.4 38.0 237 237 A G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.554 80.8 124.8 97.4 12.7 43.9 17.5 37.7 238 238 A Y < - 0 0 29 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.3 -0.698 68.2 -98.3-106.1 152.3 42.2 16.9 34.3 239 239 A P + 0 0 38 0, 0.0 -64,-2.1 0, 0.0 2,-0.3 -0.546 49.9 178.6 -68.5 129.1 38.4 16.9 33.5 240 240 A A E -e 175 0A 0 -2,-0.3 -42,-2.9 -66,-0.2 2,-0.3 -0.870 12.9-178.3-130.8 159.5 37.1 13.3 33.4 241 241 A A E -e 176 0A 0 -66,-1.8 -64,-2.6 -2,-0.3 -47,-0.1 -0.987 11.0-161.9-153.3 154.1 33.8 11.5 32.8 242 242 A M E -G 193 0B 0 -49,-0.5 -49,-2.7 -2,-0.3 2,-0.6 -0.820 4.8-161.9-143.4 104.8 32.4 8.0 32.8 243 243 A P E -G 192 0B 0 0, 0.0 -64,-0.3 0, 0.0 -51,-0.2 -0.775 28.0-161.9 -79.7 122.9 29.1 7.1 31.2 244 244 A F E -G 191 0B 6 -53,-3.1 -53,-2.4 -2,-0.6 -63,-0.2 -0.654 27.0-110.5-117.1 161.5 28.2 3.8 32.7 245 245 A E S S- 0 0 0 -65,-1.3 -59,-0.4 -2,-0.2 2,-0.3 0.680 85.2 -21.0 -66.7 -24.1 25.8 0.9 31.8 246 246 A S S S- 0 0 0 -55,-0.2 5,-0.1 -61,-0.1 -55,-0.1 -0.939 89.5 -51.8-167.2 174.4 23.2 1.3 34.6 247 247 A K > - 0 0 61 -2,-0.3 3,-1.5 1,-0.1 4,-0.2 -0.400 61.5-113.0 -59.2 150.2 22.5 2.7 38.0 248 248 A F G > S+ 0 0 43 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.903 116.1 54.1 -61.5 -42.2 25.3 1.5 40.3 249 249 A N G 3 S+ 0 0 154 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.686 111.9 49.7 -61.7 -16.6 23.1 -0.8 42.4 250 250 A D G < S+ 0 0 63 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.267 77.9 133.5-107.8 6.9 22.0 -2.5 39.1 251 251 A Y S < S- 0 0 85 -3,-1.6 -67,-0.1 -4,-0.2 4,-0.0 -0.144 73.9 -63.0 -70.5 163.0 25.2 -3.2 37.4 252 252 A N > - 0 0 0 -69,-0.2 3,-1.7 1,-0.2 -1,-0.2 -0.124 41.8-148.8 -45.6 118.5 25.9 -6.6 35.8 253 253 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.547 92.7 61.8 -70.1 -10.4 25.9 -9.3 38.5 254 254 A R T > S+ 0 0 99 10,-0.1 3,-1.3 5,-0.1 5,-0.2 0.406 72.4 124.2 -93.8 -2.0 28.4 -11.4 36.6 255 255 A I T < S+ 0 0 20 -3,-1.7 3,-0.1 1,-0.3 -153,-0.0 -0.362 77.4 17.7 -61.2 140.4 31.2 -8.8 36.6 256 256 A H T 3 S+ 0 0 71 1,-0.3 2,-0.3 -139,-0.2 -1,-0.3 0.735 110.6 99.8 66.1 32.1 34.4 -10.2 38.2 257 257 A T S X S- 0 0 52 -3,-1.3 3,-1.7 -154,-0.0 -143,-0.5 -0.880 90.5-102.5-135.1 169.5 33.3 -13.8 37.7 258 258 A T T 3 S+ 0 0 61 -2,-0.3 -3,-0.1 1,-0.3 -4,-0.1 0.629 118.5 61.0 -60.8 -15.4 33.9 -16.7 35.3 259 259 A Q T 3 + 0 0 101 -5,-0.2 2,-2.2 1,-0.1 -1,-0.3 0.224 61.0 117.4-105.8 15.5 30.4 -15.8 33.8 260 260 A D < + 0 0 2 -3,-1.7 -145,-2.9 -6,-0.2 2,-0.3 -0.547 50.1 147.2 -78.3 77.2 31.1 -12.2 32.7 261 261 A T >> - 0 0 26 -2,-2.2 3,-0.6 -147,-0.2 4,-0.6 -0.722 66.0-110.7-112.6 161.8 30.5 -13.3 29.1 262 262 A L G >4 S+ 0 0 15 -2,-0.3 3,-1.4 1,-0.2 4,-0.5 0.908 118.5 58.8 -58.4 -39.5 29.0 -11.6 26.1 263 263 A A G 34 S+ 0 0 74 1,-0.3 -1,-0.2 3,-0.1 5,-0.1 0.823 105.1 50.0 -59.7 -34.2 25.9 -13.8 26.3 264 264 A N G <4 S+ 0 0 38 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.507 117.0 40.7 -84.5 -1.3 25.3 -12.6 29.9 265 265 A S S << S- 0 0 16 -3,-1.4 -81,-0.3 -4,-0.6 -2,-0.1 0.759 129.4 -50.3-105.4 -91.3 25.5 -8.9 28.9 266 266 A D > - 0 0 33 -4,-0.5 3,-2.2 -83,-0.1 6,-0.2 -0.681 48.3-171.7-144.3 96.1 23.8 -7.9 25.6 267 267 A P T 3 S+ 0 0 70 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.618 86.4 61.1 -67.8 -9.7 25.0 -10.3 22.8 268 268 A T T 3 S- 0 0 84 -6,-0.1 -245,-0.2 -5,-0.1 -5,-0.0 0.599 101.3-137.1 -80.9 -17.3 23.3 -8.1 20.2 269 269 A G <> + 0 0 0 -3,-2.2 4,-2.4 -87,-0.2 5,-0.1 0.532 63.4 130.8 71.3 9.5 25.6 -5.2 21.3 270 270 A S H > S+ 0 0 65 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.887 72.9 47.2 -62.8 -37.8 22.7 -2.7 21.2 271 271 A H H >> S+ 0 0 2 -89,-0.2 3,-1.1 2,-0.2 4,-1.0 0.981 113.4 45.9 -68.7 -51.2 23.6 -1.4 24.7 272 272 A A H 3> S+ 0 0 0 1,-0.3 4,-2.2 -6,-0.2 -2,-0.2 0.839 104.0 65.4 -59.8 -32.6 27.3 -1.0 24.0 273 273 A K H 3X S+ 0 0 65 -4,-2.4 4,-2.6 1,-0.2 -1,-0.3 0.862 96.3 56.4 -57.3 -36.6 26.4 0.7 20.6 274 274 A K H