==== 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 3B3S . COMPND 2 MOLECULE: BACTERIAL LEUCYL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PROTEOLYTICUS; . AUTHOR N.J.ATAIE,Q.Q.HOANG,G.A.PETSKO,D.RINGE . 292 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 67.1 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 . 18 6.2 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 . 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 . 11 3.8 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 . 8 2.7 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 1 0 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 0 103 0, 0.0 200,-0.0 0, 0.0 285,-0.0 0.000 360.0 360.0 360.0 142.3 33.2 23.1 27.0 2 2 A P - 0 0 29 0, 0.0 3,-0.1 0, 0.0 287,-0.0 -0.380 360.0 -99.2 -80.6 157.3 32.7 24.1 23.4 3 3 A P - 0 0 99 0, 0.0 2,-0.6 0, 0.0 286,-0.0 -0.243 45.8 -98.2 -63.0 157.9 29.4 24.7 21.6 4 4 A I + 0 0 35 1,-0.2 3,-0.1 2,-0.0 281,-0.0 -0.694 64.0 144.9 -80.6 120.2 28.1 21.8 19.5 5 5 A T + 0 0 79 -2,-0.6 3,-0.3 -3,-0.1 -1,-0.2 0.423 46.4 76.7-137.4 -3.6 29.1 22.6 15.9 6 6 A Q > + 0 0 50 1,-0.2 4,-3.0 2,-0.1 3,-0.4 -0.030 50.0 133.3-105.3 35.3 29.9 19.4 14.0 7 7 A Q H > + 0 0 69 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.835 69.0 54.7 -56.5 -38.1 26.4 18.3 13.4 8 8 A A H > S+ 0 0 79 -3,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.944 115.4 37.7 -62.8 -45.7 27.0 17.4 9.8 9 9 A T H > S+ 0 0 41 -3,-0.4 4,-2.5 2,-0.2 5,-0.3 0.934 117.6 49.1 -73.6 -45.5 29.9 15.1 10.5 10 10 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.935 112.6 47.2 -58.9 -47.8 28.5 13.6 13.7 11 11 A T H < S+ 0 0 81 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.822 113.9 49.2 -67.9 -26.5 25.1 12.8 12.1 12 12 A A H < S+ 0 0 51 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.858 118.7 36.5 -75.2 -38.1 26.8 11.3 9.1 13 13 A W H >< S+ 0 0 37 -4,-2.5 3,-1.8 1,-0.1 4,-0.5 0.800 99.6 72.5 -91.6 -30.3 29.2 9.1 11.0 14 14 A L G >< S+ 0 0 9 -4,-2.8 3,-1.9 -5,-0.3 -1,-0.1 0.907 94.6 55.5 -52.4 -43.2 27.1 7.9 14.0 15 15 A P G 3 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.654 96.2 67.6 -65.0 -15.6 25.0 5.6 11.8 16 16 A Q G < S+ 0 0 72 -3,-1.8 2,-0.2 -4,-0.1 -2,-0.2 0.620 70.8 111.0 -76.0 -13.8 28.2 3.9 10.6 17 17 A V < - 0 0 3 -3,-1.9 2,-0.6 -4,-0.5 111,-0.1 -0.470 59.8-154.7 -62.6 133.0 28.8 2.5 14.1 18 18 A D >> - 0 0 68 -2,-0.2 4,-1.7 1,-0.1 3,-1.1 -0.926 18.5-159.0-122.9 111.9 28.2 -1.3 13.7 19 19 A A H 3> S+ 0 0 18 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.771 93.7 62.9 -60.5 -27.8 27.2 -3.4 16.6 20 20 A S H 3> S+ 0 0 83 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.821 102.1 49.1 -66.7 -33.3 28.4 -6.5 14.8 21 21 A Q H <> S+ 0 0 85 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.899 111.3 51.0 -68.1 -44.2 32.0 -5.1 14.8 22 22 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.944 112.3 44.4 -57.5 -51.8 31.6 -4.4 18.5 23 23 A T H X S+ 0 0 22 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.816 109.0 58.2 -68.3 -25.7 30.4 -7.9 19.4 24 24 A G H X S+ 0 0 32 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.927 108.9 45.1 -62.3 -44.5 33.1 -9.4 17.1 25 25 A T H X S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.912 113.4 49.6 -66.1 -44.8 35.7 -7.6 19.2 26 26 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.948 110.4 49.0 -60.0 -48.8 34.1 -8.6 22.5 27 27 A S H X S+ 0 0 53 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.884 112.5 50.2 -61.4 -35.9 33.8 -12.3 21.5 28 28 A S H >< S+ 0 0 46 -4,-1.9 3,-1.1 -5,-0.2 4,-0.4 0.954 112.1 46.3 -64.4 -47.7 37.5 -12.3 20.4 29 29 A L H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.866 108.2 55.0 -64.5 -40.4 38.7 -10.7 23.7 30 30 A E H 3< S+ 0 0 48 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.607 93.4 73.1 -69.7 -10.7 36.7 -13.1 25.9 31 31 A S T << S+ 0 0 90 -3,-1.1 -1,-0.2 -4,-0.5 2,-0.2 0.702 73.4 94.3 -77.2 -19.9 38.3 -16.0 24.2 32 32 A F S < S- 0 0 35 -3,-1.3 80,-0.2 -4,-0.4 3,-0.1 -0.543 90.2-124.5 -61.2 137.8 41.6 -15.3 26.0 33 33 A T S S- 0 0 76 -2,-0.2 79,-2.4 1,-0.2 2,-0.3 0.931 85.0 -27.4 -55.2 -45.8 41.4 -17.5 29.1 34 34 A N - 0 0 0 77,-0.2 -1,-0.2 74,-0.1 11,-0.1 -0.936 49.5-139.8-153.0 169.7 41.8 -14.3 31.1 35 35 A R + 0 0 0 77,-0.4 65,-0.4 -2,-0.3 2,-0.0 -0.172 44.5 156.8-123.0 37.5 43.5 -11.0 30.6 36 36 A F > - 0 0 19 63,-0.2 3,-1.8 71,-0.2 6,-0.3 -0.344 52.3-114.7 -70.8 150.6 44.9 -10.6 34.0 37 37 A Y T 3 S+ 0 0 45 1,-0.3 38,-1.3 63,-0.2 37,-0.4 0.700 109.7 39.1 -62.2 -27.3 47.9 -8.3 34.3 38 38 A T T 3 S+ 0 0 72 35,-0.1 -1,-0.3 36,-0.1 2,-0.2 0.318 97.2 94.1-104.4 6.5 50.5 -10.9 35.2 39 39 A T S <> S- 0 0 6 -3,-1.8 4,-1.8 1,-0.1 5,-0.2 -0.609 79.7-119.6-102.4 160.9 49.5 -13.8 33.0 40 40 A T H > S+ 0 0 94 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.896 116.3 51.1 -64.8 -35.4 50.7 -14.8 29.6 41 41 A S H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.850 105.5 56.6 -69.6 -33.6 47.2 -14.3 28.1 42 42 A G H > S+ 0 0 0 -6,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.869 110.9 43.7 -62.3 -35.7 47.0 -10.9 29.7 43 43 A A H X S+ 0 0 27 -4,-1.8 4,-1.9 2,-0.2 3,-0.5 0.905 111.8 53.2 -73.7 -41.5 50.1 -9.9 27.9 44 44 A Q H X S+ 0 0 115 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.855 103.1 58.0 -61.8 -34.8 49.0 -11.5 24.6 45 45 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.840 103.2 53.2 -68.7 -29.6 45.7 -9.5 24.7 46 46 A S H X S+ 0 0 0 -4,-0.8 4,-2.6 -3,-0.5 -1,-0.2 0.947 109.6 48.0 -64.0 -47.6 47.7 -6.3 24.8 47 47 A D H X S+ 0 0 61 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.873 110.2 53.3 -57.2 -40.2 49.5 -7.4 21.7 48 48 A W H X S+ 0 0 71 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.928 110.2 45.8 -63.4 -44.6 46.2 -8.4 20.0 49 49 A I H X S+ 0 0 1 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.915 111.4 52.0 -65.6 -42.6 44.7 -5.0 20.6 50 50 A A H X S+ 0 0 8 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.928 111.3 48.6 -59.6 -40.2 47.8 -3.2 19.4 51 51 A S H X S+ 0 0 81 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.903 111.5 49.5 -64.0 -43.3 47.6 -5.3 16.2 52 52 A E H X S+ 0 0 70 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.931 114.7 43.1 -59.5 -49.0 44.0 -4.5 15.8 53 53 A W H >X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 3,-0.8 0.879 110.6 54.9 -69.4 -37.0 44.4 -0.8 16.2 54 54 A Q H 3X S+ 0 0 95 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.921 103.8 56.7 -58.3 -43.4 47.6 -0.7 14.0 55 55 A A H 3< S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.704 113.1 41.0 -60.0 -22.6 45.5 -2.4 11.3 56 56 A L H << S+ 0 0 39 -3,-0.8 3,-0.4 -4,-0.6 -1,-0.2 0.666 115.1 49.1 -93.9 -30.4 43.1 0.6 11.6 57 57 A S H >< S+ 0 0 5 -4,-2.3 3,-2.8 1,-0.2 6,-0.2 0.764 85.6 104.8 -73.3 -18.8 45.8 3.3 11.9 58 58 A A T 3< S+ 0 0 71 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.584 94.0 13.1 -49.3 -35.1 47.4 1.7 8.9 59 59 A S T 3 S+ 0 0 105 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.1 0.222 97.3 113.1-124.0 12.9 46.5 4.3 6.3 60 60 A L S X S- 0 0 9 -3,-2.8 3,-1.2 -4,-0.1 73,-0.1 -0.772 70.2-119.9 -90.3 116.1 45.3 7.1 8.5 61 61 A P T 3 S+ 0 0 78 0, 0.0 3,-0.1 0, 0.0 22,-0.1 -0.245 89.7 12.0 -58.9 141.7 47.7 10.2 8.3 62 62 A N T 3 S+ 0 0 99 1,-0.2 21,-2.5 20,-0.1 2,-0.4 0.679 95.6 129.9 72.8 24.2 49.4 11.3 11.5 63 63 A A E < +A 82 0A 26 -3,-1.2 2,-0.3 19,-0.2 19,-0.2 -0.876 30.4 178.9-116.1 143.5 48.4 8.2 13.6 64 64 A S E -A 81 0A 47 17,-2.0 17,-2.5 -2,-0.4 2,-0.4 -0.980 15.3-152.2-139.1 147.4 50.7 5.9 15.7 65 65 A V E +A 80 0A 23 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.992 23.7 168.0-124.3 130.8 50.1 2.9 17.8 66 66 A K E -A 79 0A 138 13,-2.6 13,-2.9 -2,-0.4 2,-0.4 -0.941 28.9-138.0-137.8 160.7 52.3 2.1 20.8 67 67 A Q E -A 78 0A 69 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.987 20.9-145.6-120.5 126.6 52.4 -0.2 23.8 68 68 A V E -A 77 0A 30 9,-2.9 9,-1.8 -2,-0.4 2,-0.2 -0.789 10.8-138.6 -99.4 126.4 53.6 1.3 27.1 69 69 A S E - 0 0 89 -2,-0.5 2,-0.3 7,-0.2 7,-0.1 -0.530 15.9-160.1 -80.1 153.5 55.6 -0.9 29.5 70 70 A H E > -A 73 0A 15 3,-0.5 3,-0.9 -2,-0.2 2,-0.2 -0.953 24.9 -99.3-132.4 147.8 54.9 -0.8 33.2 71 71 A S T 3 S+ 0 0 103 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.502 97.3 13.8 -70.8 134.4 57.1 -1.8 36.2 72 72 A G T 3 S+ 0 0 77 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.294 116.2 54.9 94.4 -8.0 56.6 -5.2 37.8 73 73 A Y E < S-A 70 0A 14 -3,-0.9 -3,-0.5 2,-0.1 -35,-0.1 -0.984 71.0-129.1-154.1 163.1 54.3 -6.9 35.3 74 74 A N E S+ 0 0 128 -37,-0.4 2,-0.3 -2,-0.3 -36,-0.1 0.628 70.5 105.2 -93.7 -15.6 54.3 -7.8 31.6 75 75 A Q E - 0 0 0 -38,-1.3 2,-0.3 -6,-0.1 -5,-0.2 -0.520 57.6-152.2 -72.7 131.8 51.0 -6.5 30.4 76 76 A K E - 0 0 78 -2,-0.3 2,-0.2 -33,-0.2 -7,-0.2 -0.802 11.6-124.2-105.1 145.8 51.3 -3.2 28.4 77 77 A S E -A 68 0A 0 -9,-1.8 -9,-2.9 -2,-0.3 2,-0.4 -0.595 26.3-135.8 -78.6 147.7 48.9 -0.4 27.9 78 78 A V E -AB 67 147A 0 69,-2.6 69,-2.6 -11,-0.2 2,-0.4 -0.874 22.3-177.4-107.3 136.6 48.0 0.4 24.3 79 79 A V E -AB 66 146A 12 -13,-2.9 -13,-2.6 -2,-0.4 2,-0.5 -0.980 8.1-171.9-134.2 125.1 47.8 4.0 23.1 80 80 A M E -AB 65 145A 0 65,-2.7 65,-3.0 -2,-0.4 2,-0.4 -0.940 14.0-168.8-106.5 134.6 46.9 5.1 19.6 81 81 A T E -AB 64 144A 27 -17,-2.5 -17,-2.0 -2,-0.5 2,-0.4 -0.937 17.8-163.9-120.7 152.6 47.3 8.8 18.8 82 82 A I E -AB 63 143A 0 61,-2.2 61,-2.2 -2,-0.4 2,-0.3 -0.999 28.6-128.6-122.9 126.3 46.3 11.1 16.0 83 83 A T - 0 0 63 -21,-2.5 59,-0.2 -2,-0.4 6,-0.1 -0.613 24.5-116.3 -78.8 134.9 48.2 14.4 15.9 84 84 A G - 0 0 5 -2,-0.3 56,-0.3 4,-0.2 58,-0.2 -0.293 11.2-144.1 -72.0 145.4 46.0 17.5 15.7 85 85 A S S S+ 0 0 72 54,-2.1 55,-0.2 56,-0.2 56,-0.1 0.672 93.9 12.9 -80.6 -19.7 46.3 19.7 12.5 86 86 A E S S+ 0 0 118 54,-2.1 55,-0.2 53,-0.2 54,-0.1 0.667 139.9 24.6-130.1 -40.4 45.9 23.0 14.3 87 87 A A E > +c 141 0A 8 53,-3.2 3,-2.0 3,-0.1 55,-0.8 -0.573 65.1 160.7-129.5 65.4 46.2 22.6 18.1 88 88 A P E 3 S+ 0 0 57 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 0.732 72.2 62.8 -63.2 -17.5 48.3 19.4 18.4 89 89 A D E 3 S+ 0 0 110 -3,-0.1 82,-0.9 -6,-0.1 2,-0.5 0.376 86.8 82.4 -90.9 5.4 49.3 20.3 21.9 90 90 A E E < S- d 0 171A 25 -3,-2.0 52,-2.1 50,-0.1 2,-0.4 -0.956 72.7-155.1-106.1 127.3 45.7 20.1 23.1 91 91 A W E -cd 142 172A 27 80,-3.0 82,-2.4 -2,-0.5 83,-0.9 -0.891 18.6-165.9-115.8 135.1 44.7 16.5 23.8 92 92 A I E -cd 143 174A 0 50,-2.4 52,-2.9 -2,-0.4 2,-0.4 -0.963 19.9-161.7-109.6 127.4 41.4 14.6 23.9 93 93 A V E +cd 144 175A 0 81,-2.7 83,-2.6 -2,-0.5 2,-0.3 -0.896 16.2 172.5-113.3 141.0 41.5 11.2 25.6 94 94 A I E +cd 145 176A 0 50,-2.2 52,-2.4 -2,-0.4 2,-0.3 -0.988 21.9 141.3-139.4 139.5 39.1 8.3 25.3 95 95 A G E -cd 146 177A 0 81,-1.9 83,-2.5 -2,-0.3 2,-0.3 -0.990 30.5-166.2-163.7 169.2 39.9 4.9 26.9 96 96 A G E -c 147 0A 0 50,-1.7 52,-2.4 -2,-0.3 2,-0.3 -0.880 39.5 -92.6-149.0-177.2 38.9 1.7 28.7 97 97 A H E -c 148 0A 0 81,-0.4 25,-0.3 50,-0.3 52,-0.2 -0.811 17.2-157.0-108.3 147.1 41.0 -1.1 30.3 98 98 A L + 0 0 0 50,-2.6 51,-0.2 -2,-0.3 2,-0.1 0.528 63.9 90.2 -96.4 -9.4 42.2 -4.3 28.7 99 99 A D - 0 0 0 49,-0.7 2,-0.3 19,-0.1 -63,-0.2 -0.455 54.1-162.4 -86.3 164.0 42.7 -6.5 31.7 100 100 A S - 0 0 0 -65,-0.4 2,-0.3 -2,-0.1 -63,-0.2 -0.917 7.4-177.3-137.5 164.6 40.1 -8.8 33.4 101 101 A T - 0 0 11 16,-0.3 155,-0.2 -2,-0.3 13,-0.2 -0.988 33.1-155.6-153.0 156.2 39.9 -10.5 36.8 102 102 A I S S- 0 0 23 1,-0.5 2,-0.2 -2,-0.3 3,-0.2 0.075 71.7 -88.3-116.0 19.2 37.8 -12.8 38.9 103 103 A G S > S- 0 0 26 1,-0.2 3,-2.0 154,-0.1 -1,-0.5 -0.683 73.5 -24.7 115.1-163.7 39.2 -11.3 42.1 104 104 A S T 3 S+ 0 0 131 1,-0.3 -1,-0.2 -2,-0.2 49,-0.0 0.697 128.8 56.4 -63.2 -22.0 42.2 -11.7 44.4 105 105 A H T 3 S+ 0 0 123 -3,-0.2 -1,-0.3 2,-0.0 5,-0.1 0.411 74.1 133.5 -89.1 1.6 42.7 -15.3 43.5 106 106 A T < + 0 0 12 -3,-2.0 2,-0.2 3,-0.1 -72,-0.0 -0.268 27.1 157.2 -61.4 135.3 43.1 -14.8 39.7 107 107 A N > - 0 0 78 -71,-0.0 3,-1.2 -68,-0.0 -71,-0.2 -0.768 57.5 -65.9-143.2-171.3 46.0 -16.7 38.2 108 108 A E T 3 S+ 0 0 78 1,-0.3 -67,-0.2 -2,-0.2 -74,-0.1 0.842 131.1 39.8 -51.2 -38.3 47.4 -18.1 35.0 109 109 A Q T 3 S+ 0 0 141 2,-0.1 -1,-0.3 -76,-0.0 -3,-0.1 0.536 85.5 122.3 -93.8 -8.0 44.5 -20.7 34.7 110 110 A S < - 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0 0 63 88,-0.1 2,-1.7 -67,-0.1 69,-0.2 -0.970 62.6-149.2-133.9 115.7 24.5 -4.7 30.4 184 184 A K + 0 0 92 -2,-0.4 62,-0.1 81,-0.3 67,-0.1 -0.610 31.6 161.0 -86.9 82.3 21.4 -2.7 30.6 185 185 A G + 0 0 26 -2,-1.7 2,-0.2 60,-0.3 -1,-0.2 0.618 57.6 36.9 -78.1 -15.9 20.8 -3.1 34.3 186 186 A S S S- 0 0 12 2,-0.4 5,-0.0 59,-0.4 0, 0.0 -0.753 89.9 -98.6-132.0 175.8 18.4 -0.1 34.7 187 187 A A S S+ 0 0 82 -2,-0.2 30,-0.2 31,-0.0 -1,-0.1 0.859 100.1 82.0 -65.5 -35.4 15.6 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 -0.348 71.6-145.8 -71.3 152.3 18.1 4.4 31.8 189 189 A D S S+ 0 0 21 28,-1.5 2,-0.4 1,-0.3 29,-0.2 0.853 85.8 20.5 -76.4 -43.0 20.3 3.9 28.7 190 190 A V E -f 218 0B 1 27,-1.7 29,-2.3 -6,-0.1 2,-0.5 -0.998 62.3-165.2-133.0 135.9 23.4 5.7 30.1 191 191 A V E -fG 219 244B 0 53,-2.4 53,-3.0 -2,-0.4 2,-0.4 -0.975 15.5-145.5-124.5 118.6 24.3 6.6 33.7 192 192 A F E -fG 220 243B 0 27,-2.8 29,-2.3 -2,-0.5 2,-0.4 -0.623 14.9-132.3 -85.0 131.9 27.0 9.2 34.2 193 193 A I E -f 221 0B 0 49,-2.5 49,-0.5 -2,-0.4 29,-0.2 -0.689 17.9-168.3 -85.4 132.0 29.3 8.6 37.2 194 194 A T + 0 0 69 27,-2.6 3,-0.5 -2,-0.4 2,-0.3 0.518 58.3 81.9-108.4 -5.0 29.6 11.8 39.2 195 195 A D S S+ 0 0 30 26,-0.3 3,-0.1 1,-0.2 28,-0.1 -0.773 102.0 12.0 -97.7 147.1 32.5 11.0 41.6 196 196 A Y S S+ 0 0 84 -2,-0.3 38,-0.3 1,-0.3 2,-0.3 0.765 115.4 98.0 60.5 27.4 36.1 11.3 40.4 197 197 A T S S- 0 0 15 -3,-0.5 2,-0.5 37,-0.1 -1,-0.3 -0.891 78.9-107.3-139.5 167.4 34.7 13.2 37.4 198 198 A D > - 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0 0 27 -3,-2.0 2,-0.3 -7,-0.3 -3,-0.1 -0.594 68.4-143.3 -86.0 153.0 18.1 7.5 24.8 217 217 A T - 0 0 76 -2,-0.2 -27,-1.7 -30,-0.2 -28,-1.5 -0.841 16.7-167.3-111.9 155.0 17.6 8.3 28.4 218 218 A Y E +f 190 0B 64 -2,-0.3 -27,-0.2 -29,-0.2 2,-0.2 -0.981 10.6 176.4-141.2 157.4 20.2 9.0 31.0 219 219 A G E -f 191 0B 8 -29,-2.3 -27,-2.8 -2,-0.3 2,-0.3 -0.641 22.9-115.6-139.6-164.3 20.8 9.3 34.7 220 220 A F E +f 192 0B 71 -29,-0.3 2,-0.3 -2,-0.2 -27,-0.2 -0.972 31.2 152.7-143.2 152.2 23.5 9.8 37.2 221 221 A D E -f 193 0B 44 -29,-2.3 -27,-2.6 -2,-0.3 2,-0.3 -0.962 32.1-114.0-166.7 173.2 25.1 7.9 40.1 222 222 A T - 0 0 61 -2,-0.3 26,-0.2 -29,-0.2 -29,-0.1 -0.906 4.2-150.1-116.9 155.2 28.3 7.4 42.0 223 223 A a - 0 0 11 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.805 34.5-137.6 -76.9 -41.7 30.7 4.5 42.3 224 224 A G S S+ 0 0 61 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.344 76.3 40.0 93.5 -1.8 31.6 5.5 45.9 225 225 A Y S S- 0 0 95 -30,-0.1 2,-2.1 3,-0.0 -1,-0.2 -0.918 109.8 -71.0-163.3 173.0 35.3 4.8 45.3 226 226 A A + 0 0 36 -2,-0.3 -72,-0.1 1,-0.2 -30,-0.1 -0.573 64.7 166.4 -76.6 79.3 38.0 5.2 42.6 227 227 A a + 0 0 3 -2,-2.1 2,-0.3 -73,-0.0 -1,-0.2 0.651 49.7 0.9 -84.6 -19.7 36.3 2.5 40.6 228 228 A S S > S- 0 0 0 -3,-0.2 3,-2.0 65,-0.1 4,-0.3 -0.909 90.8 -68.6-157.4-173.9 38.0 2.9 37.2 229 229 A D T >> S+ 0 0 0 1,-0.3 4,-1.3 -2,-0.3 3,-1.1 0.623 111.1 76.2 -67.3 -16.8 40.6 4.7 35.1 230 230 A H H 3> S+ 0 0 1 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.852 89.4 63.5 -53.5 -35.4 38.8 8.1 35.0 231 231 A A H <> S+ 0 0 0 -3,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.793 96.0 56.3 -62.4 -30.0 40.0 8.4 38.6 232 232 A S H <> S+ 0 0 5 -3,-1.1 4,-1.5 -4,-0.3 -1,-0.2 0.905 110.7 43.2 -67.9 -42.5 43.6 8.4 37.5 233 233 A W H <>S+ 0 0 2 -4,-1.3 5,-2.6 2,-0.2 4,-0.3 0.917 114.3 51.7 -65.9 -44.2 43.0 11.3 35.2 234 234 A H H ><5S+ 0 0 74 -4,-2.7 3,-1.8 -38,-0.3 -2,-0.2 0.933 109.2 49.5 -56.2 -47.6 41.0 13.1 37.8 235 235 A N H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.829 105.4 57.5 -66.5 -28.6 43.7 12.6 40.4 236 236 A A T 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.438 125.6-103.2 -79.2 -2.4 46.3 14.0 38.0 237 237 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.574 79.1 127.9 96.4 14.6 44.1 17.2 37.8 238 238 A Y < - 0 0 30 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.3 -0.732 67.5 -99.3-105.3 151.3 42.4 16.6 34.4 239 239 A P + 0 0 39 0, 0.0 -64,-1.9 0, 0.0 2,-0.3 -0.551 50.4 178.7 -66.3 128.2 38.7 16.7 33.6 240 240 A A E -e 175 0A 0 -2,-0.3 -42,-3.0 -66,-0.2 2,-0.3 -0.863 13.4-177.6-131.5 158.9 37.3 13.2 33.4 241 241 A A E -e 176 0A 0 -66,-1.7 -64,-2.6 -2,-0.3 -47,-0.1 -0.984 10.5-160.6-152.2 157.2 34.0 11.5 32.8 242 242 A M - 0 0 0 -49,-0.5 -49,-2.5 -2,-0.3 2,-0.5 -0.811 4.4-161.9-147.8 99.9 32.5 8.0 32.8 243 243 A P E -G 192 0B 1 0, 0.0 -64,-0.4 0, 0.0 2,-0.2 -0.737 28.8-162.7 -74.7 123.4 29.2 7.1 31.0 244 244 A F E -G 191 0B 0 -53,-3.0 -53,-2.4 -2,-0.5 -63,-0.2 -0.703 27.3-111.8-119.4 160.8 28.4 3.8 32.7 245 245 A E S S- 0 0 0 -65,-1.3 -59,-0.4 -66,-0.3 -60,-0.3 0.693 84.9 -22.5 -65.8 -24.6 26.0 0.9 31.8 246 246 A S S S- 0 0 0 -55,-0.2 -55,-0.1 -61,-0.1 5,-0.1 -0.946 90.0 -50.0-166.1 177.8 23.5 1.3 34.6 247 247 A K > - 0 0 58 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.395 60.9-113.8 -63.0 154.0 22.8 2.6 38.0 248 248 A F G > S+ 0 0 31 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.873 116.3 53.4 -65.5 -36.1 25.6 1.4 40.2 249 249 A N G 3 S+ 0 0 154 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.591 112.4 49.0 -70.1 -10.4 23.3 -0.8 42.4 250 250 A D G < S+ 0 0 65 -3,-1.7 -1,-0.2 2,-0.0 -2,-0.2 0.266 78.8 132.9-111.0 4.3 22.2 -2.4 39.1 251 251 A Y S < S- 0 0 72 -3,-1.2 -67,-0.1 -4,-0.3 -3,-0.0 -0.138 75.0 -62.7 -67.6 164.0 25.4 -3.3 37.3 252 252 A N > - 0 0 0 -69,-0.2 3,-1.7 1,-0.2 -1,-0.2 -0.103 44.2-150.9 -46.1 114.0 26.0 -6.7 35.7 253 253 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.588 91.5 61.8 -69.2 -9.7 26.0 -9.2 38.5 254 254 A R T > S+ 0 0 102 10,-0.2 3,-1.3 5,-0.1 5,-0.3 0.459 73.0 123.1 -93.6 -3.4 28.4 -11.5 36.6 255 255 A I T < S+ 0 0 12 -3,-1.7 3,-0.1 1,-0.3 -153,-0.0 -0.317 76.3 21.4 -57.1 142.8 31.3 -8.9 36.5 256 256 A H T 3 S+ 0 0 51 1,-0.3 2,-0.3 -139,-0.2 -1,-0.3 0.713 110.2 98.7 64.4 29.1 34.5 -10.2 38.1 257 257 A T S X S- 0 0 53 -3,-1.3 3,-1.7 -154,-0.0 -143,-0.5 -0.884 90.7-102.3-134.1 173.4 33.4 -13.8 37.6 258 258 A T T 3 S+ 0 0 61 -2,-0.3 -3,-0.1 1,-0.3 -146,-0.1 0.619 117.8 60.9 -65.1 -14.6 33.9 -16.7 35.2 259 259 A Q T 3 + 0 0 98 -5,-0.3 2,-2.2 1,-0.1 -1,-0.3 0.214 62.0 117.9-104.1 13.8 30.5 -15.9 33.7 260 260 A D < + 0 0 2 -3,-1.7 -145,-3.0 -6,-0.3 2,-0.2 -0.573 49.2 147.7 -76.8 78.0 31.2 -12.3 32.6 261 261 A T > - 0 0 27 -2,-2.2 3,-0.6 -147,-0.2 4,-0.5 -0.686 65.8-110.7-113.6 162.8 30.5 -13.3 29.0 262 262 A L G >> S+ 0 0 17 1,-0.3 3,-1.5 -2,-0.2 4,-0.5 0.913 118.8 58.0 -57.6 -39.8 29.1 -11.6 25.9 263 263 A A G 34 S+ 0 0 73 1,-0.3 -1,-0.3 3,-0.1 5,-0.1 0.800 106.3 48.1 -60.3 -33.3 26.0 -13.8 26.2 264 264 A N G <4 S+ 0 0 42 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.435 118.4 41.8 -88.9 -1.1 25.4 -12.6 29.8 265 265 A S T <4 S- 0 0 16 -3,-1.5 -81,-0.3 -4,-0.5 -2,-0.1 0.697 129.8 -50.8 -99.8 -96.3 25.7 -8.9 28.7 266 266 A D >< - 0 0 32 -4,-0.5 3,-2.0 -83,-0.1 6,-0.2 -0.688 47.7-171.8-148.2 92.7 24.1 -8.0 25.5 267 267 A P T 3 S+ 0 0 73 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.589 87.6 60.6 -67.7 -8.1 25.2 -10.3 22.7 268 268 A T T 3 S- 0 0 84 -6,-0.1 -245,-0.2 -5,-0.1 -5,-0.1 0.622 100.9-137.8 -84.0 -15.8 23.4 -8.1 20.1 269 269 A G <> + 0 0 0 -3,-2.0 4,-2.1 -87,-0.2 5,-0.1 0.546 63.6 129.9 71.4 10.1 25.8 -5.3 21.2 270 270 A S H > S+ 0 0 66 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.884 71.5 47.7 -63.3 -37.6 22.9 -2.7 21.2 271 271 A H H >> S+ 0 0 2 1,-0.2 3,-1.2 -89,-0.2 4,-1.1 0.978 113.6 45.6 -68.9 -52.2 23.7 -1.4 24.6 272 272 A A H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.826 103.7 66.1 -59.8 -33.1 27.5 -1.0 24.0 273 273 A K H 3X S+ 0 0 64 -4,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.852 96.4 56.0 -56.8 -35.5 26.6 0.6 20.6 274 274 A K H S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.5 0.928 110.1 48.8 -59.6 -47.3 32.7 13.2 21.7 283 283 A A H X5S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.917 115.5 44.4 -62.3 -41.4 35.8 12.5 19.6 284 284 A I H X5S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.941 119.4 39.8 -68.6 -50.8 34.4 14.4 16.6 285 285 A E H >X5S+ 0 0 1 -4,-2.9 4,-1.3 -5,-0.2 3,-0.6 0.969 123.0 38.3 -66.7 -50.9 33.2 17.4 18.6 286 286 A M H 3<5S+ 0 0 1 -4,-2.8 -1,-0.2 -5,-0.3 -3,-0.2 0.856 115.6 53.7 -70.3 -32.8 36.1 17.8 21.1 287 287 A G H 3<