==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-06 2NYQ . COMPND 2 MOLECULE: AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PROTEOLYTICUS; . AUTHOR B.BENNETT,A.KUMAR,B.NARAYANAN,J-J.KIM . 292 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 65.8 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 1 1 1 0 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 91 0, 0.0 285,-0.0 0, 0.0 200,-0.0 0.000 360.0 360.0 360.0 142.1 -18.7 75.8 14.1 2 2 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 284,-0.1 -0.161 360.0 -98.6 -68.2 164.5 -17.9 76.9 10.6 3 3 A P - 0 0 97 0, 0.0 2,-0.5 0, 0.0 201,-0.0 -0.491 40.5 -94.1 -84.8 156.2 -19.2 80.1 8.9 4 4 A I + 0 0 38 1,-0.2 281,-0.0 -2,-0.2 0, 0.0 -0.568 62.7 140.5 -71.9 118.7 -22.3 80.3 6.6 5 5 A T + 0 0 81 -2,-0.5 3,-0.3 2,-0.0 -1,-0.2 0.380 49.1 76.8-139.1 -0.9 -21.0 80.1 3.0 6 6 A Q >> + 0 0 40 1,-0.2 4,-2.2 2,-0.1 3,-0.6 0.119 46.2 127.2-103.7 22.1 -23.5 78.0 1.1 7 7 A Q H 3> S+ 0 0 64 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.837 74.8 58.3 -45.1 -36.5 -26.3 80.5 0.7 8 8 A A H 34 S+ 0 0 77 -3,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.951 116.2 30.6 -60.1 -52.7 -26.1 79.7 -3.0 9 9 A T H X> S+ 0 0 40 -3,-0.6 4,-2.0 2,-0.2 3,-2.0 0.984 119.4 51.0 -70.6 -61.2 -26.8 76.0 -2.6 10 10 A V H 3X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.3 -3,-0.2 0.850 108.9 52.1 -44.8 -46.4 -29.0 76.1 0.5 11 11 A T H 3< S+ 0 0 78 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.691 111.3 47.8 -68.5 -19.0 -31.3 78.7 -1.0 12 12 A A H <4 S+ 0 0 54 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.795 121.9 33.0 -89.7 -32.5 -31.8 76.6 -4.1 13 13 A W H >< S+ 0 0 35 -4,-2.0 3,-3.4 2,-0.1 4,-0.5 0.841 101.8 72.3 -91.8 -39.4 -32.5 73.4 -2.3 14 14 A L G >< S+ 0 0 13 -4,-3.4 3,-1.6 1,-0.3 -3,-0.1 0.865 94.4 58.5 -44.8 -42.8 -34.3 74.6 0.8 15 15 A P G 3 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.581 94.2 67.7 -66.1 -8.9 -37.4 75.4 -1.4 16 16 A Q G < + 0 0 73 -3,-3.4 2,-0.5 2,-0.1 -2,-0.2 0.624 65.7 114.5 -87.3 -12.9 -37.5 71.7 -2.5 17 17 A V < - 0 0 2 -3,-1.6 2,-0.6 -4,-0.5 111,-0.1 -0.449 58.7-153.7 -60.3 112.2 -38.5 70.4 0.9 18 18 A D >> - 0 0 70 -2,-0.5 4,-1.6 1,-0.1 3,-0.6 -0.834 15.5-157.3 -98.3 119.5 -42.0 69.1 0.1 19 19 A A H 3> S+ 0 0 21 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.824 94.6 57.2 -61.0 -33.9 -44.5 69.0 3.0 20 20 A S H 3> S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.799 103.1 53.4 -68.3 -30.7 -46.5 66.3 1.2 21 21 A Q H <> S+ 0 0 88 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.930 110.2 49.3 -67.6 -43.4 -43.5 64.0 1.0 22 22 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.893 112.6 44.1 -62.7 -45.1 -43.1 64.4 4.7 23 23 A T H X S+ 0 0 21 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.817 108.5 60.6 -72.0 -27.0 -46.7 63.6 5.6 24 24 A G H X S+ 0 0 28 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.917 107.1 44.9 -63.6 -42.2 -46.6 60.8 3.2 25 25 A T H X S+ 0 0 14 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.890 113.7 49.9 -69.1 -39.0 -43.8 59.2 5.2 26 26 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.933 110.2 47.9 -66.8 -45.6 -45.6 59.9 8.5 27 27 A S H X S+ 0 0 50 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.885 113.5 49.9 -62.4 -36.3 -48.9 58.4 7.4 28 28 A S H < S+ 0 0 47 -4,-1.6 4,-0.2 -5,-0.3 -1,-0.2 0.885 112.4 47.6 -68.2 -38.5 -47.0 55.3 6.1 29 29 A L H >< S+ 0 0 1 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.883 110.8 48.0 -71.8 -39.2 -45.1 55.0 9.4 30 30 A E H 3< S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.645 94.5 78.8 -75.4 -13.1 -48.2 55.3 11.7 31 31 A S T 3< S+ 0 0 95 -4,-0.7 2,-0.3 -5,-0.3 -1,-0.3 0.695 74.2 92.6 -66.3 -18.7 -49.8 52.7 9.4 32 32 A F S < S- 0 0 39 -3,-1.2 80,-0.2 -4,-0.2 3,-0.1 -0.642 90.3-124.3 -76.0 131.8 -47.7 50.2 11.3 33 33 A T S S- 0 0 71 -2,-0.3 79,-2.3 1,-0.1 2,-0.3 0.902 84.1 -35.1 -40.5 -51.9 -49.8 48.8 14.2 34 34 A N - 0 0 0 77,-0.2 11,-0.2 74,-0.1 -1,-0.1 -0.923 48.7-136.9-160.9 171.0 -46.9 49.9 16.5 35 35 A R + 0 0 1 77,-0.4 65,-0.3 -2,-0.3 2,-0.1 -0.168 40.3 160.9-132.9 41.1 -43.1 50.0 16.1 36 36 A F > - 0 0 7 63,-0.2 3,-2.1 71,-0.2 6,-0.3 -0.368 50.0-117.9 -66.2 140.3 -42.0 48.7 19.5 37 37 A Y T 3 S+ 0 0 42 1,-0.3 38,-1.7 63,-0.1 37,-0.4 0.687 111.5 40.6 -53.7 -22.2 -38.4 47.4 19.7 38 38 A T T 3 S+ 0 0 66 35,-0.1 -1,-0.3 36,-0.1 2,-0.3 0.227 97.0 90.1-113.2 13.6 -39.6 43.9 20.5 39 39 A T S <> S- 0 0 5 -3,-2.1 4,-1.6 68,-0.1 5,-0.1 -0.719 79.6-120.7-107.5 161.3 -42.6 43.4 18.2 40 40 A T H > S+ 0 0 92 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.837 115.6 53.8 -68.0 -31.0 -42.7 42.0 14.7 41 41 A S H > S+ 0 0 15 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.951 106.1 52.9 -66.0 -47.8 -44.2 45.3 13.5 42 42 A G H > S+ 0 0 0 -6,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.859 110.3 47.3 -54.7 -38.9 -41.3 47.2 15.1 43 43 A A H X S+ 0 0 25 -4,-1.6 4,-1.6 1,-0.2 33,-0.3 0.911 112.4 49.8 -69.9 -41.3 -38.8 45.0 13.3 44 44 A Q H X S+ 0 0 109 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.849 103.3 60.2 -64.4 -36.6 -40.7 45.4 10.0 45 45 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.924 103.6 50.9 -57.8 -44.9 -40.7 49.2 10.5 46 46 A S H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.917 110.4 49.6 -58.8 -43.4 -36.9 49.2 10.5 47 47 A D H X S+ 0 0 59 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.912 108.5 52.9 -61.9 -42.9 -37.0 47.2 7.2 48 48 A W H X S+ 0 0 74 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.946 111.9 45.2 -56.9 -51.0 -39.5 49.6 5.7 49 49 A I H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.939 112.9 49.3 -59.4 -51.3 -37.2 52.6 6.5 50 50 A A H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.916 113.9 46.8 -55.7 -44.3 -34.0 50.9 5.3 51 51 A S H X S+ 0 0 81 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.885 111.6 52.9 -65.4 -37.3 -35.7 49.9 2.1 52 52 A E H X S+ 0 0 60 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.923 112.1 42.6 -63.6 -48.6 -37.0 53.4 1.7 53 53 A W H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.860 109.2 59.0 -69.1 -35.6 -33.6 55.1 2.1 54 54 A Q H X S+ 0 0 95 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.935 109.3 43.8 -57.4 -47.0 -32.0 52.5 -0.2 55 55 A A H < S+ 0 0 71 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.793 112.6 53.4 -68.8 -29.8 -34.3 53.5 -3.0 56 56 A L H < S+ 0 0 37 -4,-1.4 3,-0.2 1,-0.2 -1,-0.2 0.859 119.6 32.6 -74.1 -35.2 -33.9 57.2 -2.3 57 57 A S H < S+ 0 0 3 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.329 84.8 104.7-104.4 4.7 -30.1 56.9 -2.5 58 58 A A S < S+ 0 0 70 -4,-0.7 2,-0.9 1,-0.3 -1,-0.2 0.894 86.6 47.1 -51.4 -42.3 -29.8 54.2 -5.1 59 59 A S S S+ 0 0 87 -4,-0.3 -1,-0.3 -3,-0.2 77,-0.2 -0.761 91.3 92.8-104.4 84.0 -28.8 56.9 -7.6 60 60 A L S > S- 0 0 11 -2,-0.9 3,-0.9 -3,-0.3 73,-0.1 -0.633 74.7-121.4-173.7 107.2 -26.2 58.9 -5.6 61 61 A P T 3 S+ 0 0 68 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.320 92.7 18.1 -60.3 134.4 -22.5 58.1 -5.8 62 62 A N T 3 S+ 0 0 100 1,-0.2 21,-1.5 20,-0.1 2,-0.4 0.756 94.9 123.4 78.6 30.6 -20.8 57.2 -2.5 63 63 A A E < +A 82 0A 28 -3,-0.9 2,-0.3 19,-0.2 -1,-0.2 -0.951 30.4 172.8-127.4 144.0 -23.9 56.2 -0.5 64 64 A S E -A 81 0A 45 17,-2.0 17,-2.1 -2,-0.4 2,-0.4 -0.972 19.6-145.6-144.3 157.0 -24.9 53.1 1.3 65 65 A V E +A 80 0A 26 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.971 24.0 171.8-129.9 118.5 -27.7 52.0 3.7 66 66 A K E -A 79 0A 137 13,-2.8 13,-2.8 -2,-0.4 2,-0.5 -0.846 26.6-136.2-125.6 160.9 -27.1 49.4 6.5 67 67 A Q E -A 78 0A 69 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.976 20.6-145.6-118.4 121.5 -29.1 48.0 9.4 68 68 A V E -A 77 0A 46 9,-2.9 9,-1.6 -2,-0.5 2,-0.3 -0.691 11.4-136.2 -89.7 136.7 -27.3 47.7 12.7 69 69 A S - 0 0 90 -2,-0.3 2,-0.4 7,-0.2 7,-0.1 -0.664 14.7-160.4 -92.5 147.6 -28.0 44.8 15.1 70 70 A H > - 0 0 13 3,-0.5 3,-0.8 -2,-0.3 2,-0.3 -0.973 23.8-112.1-127.7 140.3 -28.5 45.2 18.8 71 71 A S T 3 S+ 0 0 113 -2,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.537 97.4 24.5 -72.8 129.8 -28.2 42.5 21.5 72 72 A G T 3 S+ 0 0 76 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.011 114.8 49.6 111.4 -30.4 -31.5 41.7 23.2 73 73 A Y < - 0 0 17 -3,-0.8 -3,-0.5 2,-0.1 -35,-0.1 -0.950 67.4-131.3-141.6 161.2 -34.1 42.7 20.6 74 74 A N S S+ 0 0 121 -37,-0.4 -36,-0.1 -2,-0.3 -1,-0.1 0.787 73.3 103.5 -83.0 -30.9 -34.9 42.3 16.9 75 75 A Q - 0 0 0 -38,-1.7 2,-0.3 -6,-0.1 -5,-0.2 -0.325 60.4-153.5 -57.0 129.8 -35.5 45.9 15.9 76 76 A K - 0 0 82 -33,-0.3 2,-0.3 -34,-0.2 -7,-0.2 -0.786 12.5-119.3-109.1 150.9 -32.5 47.2 14.0 77 77 A S E -A 68 0A 0 -9,-1.6 -9,-2.9 -2,-0.3 2,-0.5 -0.686 25.3-137.6 -86.6 139.2 -31.2 50.8 13.6 78 78 A V E -AB 67 147A 0 69,-2.1 69,-2.4 -2,-0.3 2,-0.4 -0.864 23.0-178.9-101.6 126.8 -31.0 52.2 10.1 79 79 A V E -AB 66 146A 11 -13,-2.8 -13,-2.8 -2,-0.5 2,-0.5 -0.985 9.1-171.4-127.9 126.1 -27.9 54.1 9.1 80 80 A M E -AB 65 145A 0 65,-3.1 65,-3.6 -2,-0.4 2,-0.4 -0.969 13.5-169.3-115.0 132.2 -27.3 55.7 5.7 81 81 A T E -AB 64 144A 20 -17,-2.1 -17,-2.0 -2,-0.5 2,-0.4 -0.929 18.7-168.9-126.2 147.1 -23.9 57.1 5.1 82 82 A I E -AB 63 143A 1 61,-2.2 61,-2.9 -2,-0.4 2,-0.3 -0.983 25.9-136.9-130.4 114.8 -22.3 59.3 2.4 83 83 A T - 0 0 62 -21,-1.5 59,-0.2 -2,-0.4 58,-0.1 -0.579 23.8-113.9 -78.3 133.5 -18.5 59.4 2.6 84 84 A G - 0 0 9 -2,-0.3 56,-0.3 6,-0.2 57,-0.2 -0.236 8.6-144.5 -65.4 153.3 -17.0 62.9 2.1 85 85 A S S S+ 0 0 88 54,-2.4 55,-0.2 56,-0.2 -1,-0.1 0.832 97.9 26.0 -84.6 -37.0 -14.8 63.7 -0.9 86 86 A E S S+ 0 0 120 54,-0.4 55,-0.2 1,-0.2 54,-0.1 0.933 139.0 13.6 -91.0 -61.9 -12.4 66.0 1.0 87 87 A A E > +c 141 0A 12 53,-2.2 3,-1.2 1,-0.1 55,-0.8 -0.716 63.0 164.2-122.0 80.1 -12.5 64.8 4.6 88 88 A P E 3 S+ 0 0 59 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 0.643 73.6 66.1 -68.4 -17.3 -14.2 61.4 4.8 89 89 A D E 3 S+ 0 0 102 -3,-0.1 82,-1.0 -6,-0.1 2,-0.5 0.629 87.9 79.3 -80.1 -15.9 -12.8 60.8 8.3 90 90 A E E < S- d 0 171A 28 -3,-1.2 52,-2.2 50,-0.2 2,-0.4 -0.833 73.4-149.9 -97.2 127.9 -14.9 63.7 9.7 91 91 A W E -cd 142 172A 18 80,-3.5 82,-2.3 -2,-0.5 83,-0.8 -0.827 17.2-167.2-111.5 142.2 -18.5 62.9 10.4 92 92 A I E -cd 143 174A 1 50,-2.1 52,-3.0 -2,-0.4 2,-0.3 -0.983 20.7-163.3-118.1 121.6 -21.8 64.9 10.4 93 93 A V E +cd 144 175A 0 81,-2.9 83,-2.8 -2,-0.5 2,-0.3 -0.849 18.1 164.3-114.6 145.5 -24.8 63.1 12.1 94 94 A I E +cd 145 176A 2 50,-1.9 52,-2.5 -2,-0.3 2,-0.3 -0.978 23.4 112.6-151.8 140.4 -28.5 63.7 12.0 95 95 A G E -cd 146 177A 0 81,-1.8 83,-2.7 -2,-0.3 2,-0.3 -0.995 35.0-143.3 178.8-171.9 -31.3 61.4 13.0 96 96 A G E -c 147 0A 0 50,-1.8 52,-2.3 -2,-0.3 2,-0.4 -0.920 38.5 -81.1-162.1-179.6 -34.2 60.3 15.2 97 97 A H E -c 148 0A 0 81,-0.3 25,-0.3 -2,-0.3 52,-0.2 -0.810 21.0-159.2-103.4 142.3 -35.8 57.1 16.6 98 98 A L + 0 0 0 50,-2.3 51,-0.2 -2,-0.4 2,-0.1 0.526 62.4 92.5 -92.8 -9.9 -38.1 54.8 14.6 99 99 A D - 0 0 0 49,-0.7 2,-0.3 -54,-0.0 -63,-0.2 -0.416 54.1-161.3 -85.9 163.0 -39.8 53.0 17.5 100 100 A S - 0 0 2 -65,-0.3 2,-0.3 -2,-0.1 -65,-0.2 -0.951 8.6-168.8-137.3 156.9 -43.1 54.0 19.2 101 101 A T - 0 0 11 -2,-0.3 155,-0.2 -65,-0.1 13,-0.2 -0.906 31.6-171.4-144.7 172.1 -44.5 53.0 22.5 102 102 A I S S- 0 0 43 1,-0.7 2,-0.3 -2,-0.3 3,-0.1 0.280 80.5 -47.1-139.5 -9.2 -47.6 53.1 24.8 103 103 A G S > S- 0 0 25 1,-0.1 3,-1.4 154,-0.1 -1,-0.7 -0.868 70.2 -72.7 154.6 176.5 -45.9 51.8 27.9 104 104 A S T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.3 49,-0.0 0.789 128.5 61.5 -68.6 -24.1 -43.5 49.1 29.0 105 105 A H T 3 S+ 0 0 136 -3,-0.1 -1,-0.3 2,-0.0 5,-0.1 0.370 72.4 134.9 -82.4 3.7 -46.4 46.6 28.5 106 106 A T < + 0 0 8 -3,-1.4 2,-0.2 1,-0.1 -72,-0.0 -0.303 34.5 179.5 -54.8 135.0 -46.7 47.5 24.8 107 107 A N > - 0 0 75 -68,-0.0 3,-1.6 -71,-0.0 -71,-0.2 -0.666 44.0 -68.8-130.2-174.0 -47.1 44.2 22.9 108 108 A E T 3 S+ 0 0 71 1,-0.3 -67,-0.1 -2,-0.2 -74,-0.1 0.716 130.3 34.6 -49.2 -30.8 -47.6 42.7 19.4 109 109 A Q T 3 S+ 0 0 144 2,-0.1 -1,-0.3 -76,-0.1 2,-0.2 0.364 84.2 121.5-111.0 5.1 -51.1 44.1 19.1 110 110 A S < - 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0 0 61 82,-0.2 2,-1.5 88,-0.1 69,-0.3 -0.897 59.3-155.1-143.2 108.9 -47.1 69.7 16.8 184 184 A K + 0 0 92 -2,-0.4 62,-0.1 1,-0.2 67,-0.1 -0.610 29.0 158.0 -86.2 80.3 -46.8 73.4 17.4 185 185 A G + 0 0 23 -2,-1.5 2,-0.2 60,-0.2 -1,-0.2 0.390 59.5 44.6 -85.3 3.2 -47.8 73.7 21.1 186 186 A S S S- 0 0 15 2,-0.4 5,-0.0 59,-0.4 0, 0.0 -0.786 88.7-104.9-135.1 179.0 -46.1 77.0 21.7 187 187 A A S S+ 0 0 79 -2,-0.2 30,-0.2 3,-0.0 -1,-0.1 0.915 97.5 78.8 -73.5 -44.2 -45.7 80.4 20.1 188 188 A Q S S- 0 0 48 1,-0.1 -2,-0.4 28,-0.1 30,-0.2 -0.217 75.7-140.0 -62.8 155.1 -42.2 79.8 18.9 189 189 A D S S+ 0 0 19 28,-2.7 2,-0.4 1,-0.3 29,-0.2 0.823 86.0 21.3 -84.5 -35.4 -41.6 77.7 15.8 190 190 A V E -f 218 0B 0 27,-1.4 29,-2.3 84,-0.1 2,-0.4 -0.991 62.3-164.3-137.1 142.3 -38.6 75.8 17.2 191 191 A V E -fG 219 244B 0 53,-2.5 53,-3.7 -2,-0.4 2,-0.5 -0.967 13.8-146.9-130.4 116.9 -37.4 75.2 20.7 192 192 A F E -fG 220 243B 0 27,-2.1 29,-1.8 -2,-0.4 2,-0.4 -0.697 15.2-132.6 -85.6 126.3 -33.8 74.0 21.3 193 193 A I E -f 221 0B 0 49,-2.0 49,-0.5 -2,-0.5 29,-0.2 -0.640 16.4-164.4 -77.5 128.1 -33.3 71.7 24.3 194 194 A T + 0 0 68 27,-3.0 3,-0.5 -2,-0.4 2,-0.4 0.467 59.9 81.1 -95.6 -3.5 -30.3 72.9 26.3 195 195 A D S S+ 0 0 26 26,-0.3 3,-0.1 1,-0.2 30,-0.1 -0.849 98.9 15.6-105.0 143.2 -29.5 69.9 28.5 196 196 A Y S S+ 0 0 82 -2,-0.4 2,-0.3 1,-0.3 38,-0.2 0.882 113.9 95.3 65.0 38.7 -27.4 67.0 27.2 197 197 A T S S- 0 0 16 -3,-0.5 2,-0.5 37,-0.1 -1,-0.3 -0.924 80.1-102.9-149.0 171.2 -26.3 69.3 24.3 198 198 A D > - 0 0 44 42,-2.7 4,-2.4 -2,-0.3 5,-0.2 -0.902 17.9-150.2-105.0 122.1 -23.5 71.6 23.2 199 199 A S H > S+ 0 0 86 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.831 96.3 54.6 -59.0 -34.2 -24.2 75.3 23.5 200 200 A N H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 110.5 42.4 -65.2 -51.6 -21.9 76.1 20.6 201 201 A F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.901 115.2 53.0 -62.7 -39.1 -23.6 73.8 18.1 202 202 A T H X S+ 0 0 5 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.919 109.8 45.7 -64.1 -45.1 -27.0 75.0 19.4 203 203 A Q H X S+ 0 0 94 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.850 109.2 58.1 -67.2 -30.9 -26.2 78.6 18.9 204 204 A Y H >X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 3,-0.6 0.963 104.2 50.5 -60.8 -49.9 -24.8 77.7 15.5 205 205 A L H 3X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.849 106.4 55.2 -56.8 -34.9 -28.2 76.2 14.6 206 206 A T H 3X S+ 0 0 1 -4,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.855 106.0 52.7 -67.9 -30.9 -29.9 79.5 15.7 207 207 A Q H < + 0 0 14 -4,-2.7 3,-2.2 -5,-0.5 -1,-0.2 -0.313 63.8 151.7-139.9 53.6 -35.5 80.8 8.1 214 214 A P T 3 + 0 0 96 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.785 68.8 69.1 -54.4 -31.3 -35.7 84.5 9.2 215 215 A S T 3 S+ 0 0 100 -6,-0.1 2,-0.3 -3,-0.1 -5,-0.1 0.663 90.0 79.6 -63.4 -19.0 -39.5 84.2 9.1 216 216 A L < - 0 0 31 -3,-2.2 2,-0.3 -7,-0.2 -3,-0.1 -0.678 66.5-146.0-100.3 150.1 -39.4 81.8 12.1 217 217 A T - 0 0 80 -2,-0.3 -28,-2.7 -30,-0.2 -27,-1.4 -0.796 18.7-169.0-107.7 151.2 -39.1 82.5 15.9 218 218 A Y E -f 190 0B 67 -2,-0.3 -27,-0.2 -30,-0.2 2,-0.2 -0.973 9.5-178.4-143.1 156.9 -37.3 80.2 18.4 219 219 A G E -f 191 0B 8 -29,-2.3 -27,-2.1 -2,-0.3 2,-0.3 -0.538 20.2-114.9-132.5-161.4 -36.8 79.6 22.1 220 220 A F E +f 192 0B 70 -29,-0.2 2,-0.3 -2,-0.2 -27,-0.2 -0.967 31.0 149.9-143.4 156.8 -35.0 77.4 24.6 221 221 A D E -f 193 0B 45 -29,-1.8 -27,-3.0 -2,-0.3 -26,-0.3 -0.976 29.2-118.2-171.9 175.5 -35.8 74.9 27.3 222 222 A T - 0 0 62 -2,-0.3 26,-0.1 -29,-0.2 -29,-0.0 -0.849 6.4-150.0-127.7 164.5 -34.7 71.8 29.1 223 223 A a - 0 0 14 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.777 33.9-136.2 -97.8 -39.9 -35.9 68.2 29.7 224 224 A G S S+ 0 0 68 1,-0.3 2,-0.3 0, 0.0 -2,-0.0 0.373 81.2 38.9 95.6 -2.7 -34.4 67.9 33.1 225 225 A Y S S- 0 0 93 -30,-0.1 2,-2.0 -29,-0.0 -1,-0.3 -0.944 110.4 -69.3-162.2 172.9 -33.2 64.4 32.1 226 226 A A + 0 0 32 -2,-0.3 -30,-0.1 1,-0.2 6,-0.0 -0.541 59.5 167.7 -75.4 83.9 -31.8 62.5 29.1 227 227 A a + 0 0 0 -2,-2.0 2,-0.3 4,-0.0 -1,-0.2 0.544 51.7 7.6 -79.0 -11.9 -35.0 62.6 27.1 228 228 A S S > S- 0 0 0 -3,-0.1 3,-2.3 -74,-0.1 4,-0.4 -0.967 90.4 -72.5-160.2 175.9 -33.7 61.5 23.6 229 229 A D T >> S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.3 4,-1.3 0.684 112.4 74.7 -48.6 -27.9 -30.9 60.1 21.5 230 230 A H H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.841 89.5 62.0 -56.6 -31.6 -28.9 63.4 21.6 231 231 A A H <> S+ 0 0 1 -3,-2.3 4,-2.2 1,-0.2 -1,-0.3 0.803 98.6 55.0 -64.2 -30.8 -28.0 62.4 25.2 232 232 A S H <> S+ 0 0 10 -3,-1.4 4,-1.0 -4,-0.4 -1,-0.2 0.912 111.7 42.4 -68.7 -44.2 -26.3 59.3 23.9 233 233 A W H <>S+ 0 0 2 -4,-1.3 5,-2.5 1,-0.2 -2,-0.2 0.869 114.7 53.0 -68.5 -37.1 -24.1 61.3 21.6 234 234 A H H ><5S+ 0 0 66 -4,-2.5 3,-1.0 -38,-0.2 -2,-0.2 0.868 107.9 49.2 -66.0 -40.0 -23.6 63.8 24.4 235 235 A N H 3<5S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.735 104.5 59.0 -74.3 -20.6 -22.5 61.2 26.9 236 236 A A T 3<5S- 0 0 3 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.470 125.6-103.1 -83.9 -2.6 -20.0 59.7 24.4 237 237 A G T < 5S+ 0 0 61 -3,-1.0 -3,-0.2 1,-0.3 -2,-0.1 0.617 78.5 128.3 93.7 14.7 -18.4 63.2 24.3 238 238 A Y < - 0 0 32 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.3 -0.744 66.5 -98.3-106.3 153.3 -19.7 64.5 21.0 239 239 A P + 0 0 37 0, 0.0 -64,-2.2 0, 0.0 2,-0.3 -0.495 51.1 175.6 -67.9 125.5 -21.4 67.9 20.2 240 240 A A E -e 175 0A 0 -2,-0.3 -42,-2.7 -66,-0.2 2,-0.3 -0.932 13.6-178.8-133.9 156.9 -25.2 67.3 20.1 241 241 A A E -e 176 0A 0 -66,-1.8 -64,-2.4 -2,-0.3 -47,-0.1 -0.983 11.1-156.1-150.1 157.2 -28.3 69.4 19.7 242 242 A M - 0 0 0 -49,-0.5 -49,-2.0 -2,-0.3 2,-0.8 -0.782 5.7-158.8-144.0 101.6 -32.1 69.0 19.5 243 243 A P E -G 192 0B 0 0, 0.0 -64,-0.4 0, 0.0 -51,-0.2 -0.684 27.2-162.1 -77.1 113.8 -34.6 71.3 17.9 244 244 A F E -G 191 0B 0 -53,-3.7 -53,-2.5 -2,-0.8 -63,-0.1 -0.646 26.2-116.6 -97.4 156.0 -37.8 70.4 19.7 245 245 A E S S- 0 0 0 -65,-0.9 -59,-0.4 -66,-0.4 2,-0.3 0.681 83.6 -25.0 -64.5 -22.0 -41.4 71.1 18.5 246 246 A S S S- 0 0 0 -55,-0.2 5,-0.1 -62,-0.1 -55,-0.1 -0.967 92.0 -41.1-171.3-176.2 -42.3 73.4 21.4 247 247 A K > - 0 0 66 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.361 61.2-116.7 -59.4 146.2 -41.7 74.5 25.0 248 248 A F T 3 S+ 0 0 39 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.744 113.6 56.0 -62.2 -22.0 -41.3 71.3 27.0 249 249 A N T 3 S+ 0 0 151 1,-0.2 -1,-0.3 -64,-0.0 -2,-0.1 0.581 110.6 43.4 -86.8 -8.1 -44.4 72.1 29.0 250 250 A D S < S+ 0 0 76 -3,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.156 80.0 135.3-122.2 19.6 -46.7 72.3 25.9 251 251 A Y S S- 0 0 68 -3,-0.5 -67,-0.1 -4,-0.2 4,-0.1 -0.230 73.8 -54.6 -71.4 161.7 -45.7 69.4 23.7 252 252 A N > - 0 0 0 -69,-0.3 3,-1.1 1,-0.2 -1,-0.2 -0.002 49.0-153.3 -34.6 112.9 -48.1 67.1 22.0 253 253 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.435 85.9 62.0 -75.2 0.8 -50.4 65.8 24.8 254 254 A R T > + 0 0 98 10,-0.1 3,-0.9 5,-0.1 5,-0.2 0.350 68.6 125.9-110.1 6.3 -51.1 62.6 22.9 255 255 A I T < S+ 0 0 18 -3,-1.1 3,-0.1 1,-0.2 4,-0.1 -0.333 72.6 25.6 -65.6 146.2 -47.7 61.0 22.6 256 256 A H T 3 S+ 0 0 58 1,-0.3 2,-0.3 -155,-0.2 -1,-0.2 0.773 107.1 92.5 71.3 27.3 -47.4 57.4 24.0 257 257 A T S X S- 0 0 55 -3,-0.9 3,-2.1 -156,-0.0 -143,-0.4 -0.945 93.2 -99.9-143.0 163.0 -51.1 56.6 23.4 258 258 A T T 3 S+ 0 0 65 -2,-0.3 -146,-0.1 1,-0.3 -3,-0.1 0.639 118.4 64.0 -58.8 -13.7 -53.2 55.1 20.6 259 259 A Q T 3 + 0 0 97 -5,-0.2 2,-2.6 1,-0.1 -1,-0.3 0.376 61.4 113.3 -96.3 5.5 -54.1 58.7 19.6 260 260 A D < + 0 0 2 -3,-2.1 -145,-2.8 -6,-0.2 2,-0.2 -0.487 53.2 146.3 -75.4 76.0 -50.6 59.9 18.7 261 261 A T - 0 0 28 -2,-2.6 4,-0.2 -147,-0.2 3,-0.1 -0.653 66.7-111.1-111.5 169.3 -51.7 60.3 15.0 262 262 A L S > S+ 0 0 18 1,-0.2 3,-1.6 -2,-0.2 7,-0.1 0.884 118.2 59.5 -64.6 -37.7 -50.9 62.6 12.1 263 263 A A T 3 S+ 0 0 72 1,-0.3 -1,-0.2 3,-0.1 -3,-0.1 0.884 104.9 48.7 -58.8 -39.6 -54.4 64.0 12.4 264 264 A N T 3 S+ 0 0 49 -5,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.438 117.3 45.2 -82.3 1.9 -53.7 65.0 16.0 265 265 A S S < S- 0 0 16 -3,-1.6 -82,-0.2 -4,-0.2 -3,-0.1 0.073 125.9 -49.2-110.8-135.9 -50.4 66.7 14.9 266 266 A D > - 0 0 31 -84,-1.2 3,-2.3 1,-0.1 6,-0.2 -0.806 48.6-171.4-110.2 93.0 -50.1 68.9 11.8 267 267 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.680 86.0 61.0 -53.1 -21.0 -51.7 67.0 8.9 268 268 A T T 3 S- 0 0 78 -6,-0.1 -245,-0.2 -3,-0.1 -2,-0.0 0.738 101.7-134.4 -80.6 -24.1 -50.4 69.7 6.6 269 269 A G <> + 0 0 0 -3,-2.3 4,-2.4 -87,-0.1 5,-0.2 0.386 65.6 129.8 84.9 -3.9 -46.8 68.9 7.6 270 270 A S H > S+ 0 0 64 1,-0.2 4,-0.8 2,-0.2 -88,-0.0 0.903 71.6 42.6 -48.3 -55.3 -46.1 72.6 7.9 271 271 A H H >> S+ 0 0 3 1,-0.2 3,-1.2 2,-0.2 4,-1.0 0.935 114.7 50.2 -61.9 -46.1 -44.5 72.5 11.3 272 272 A A H 3> S+ 0 0 0 1,-0.3 4,-2.1 -6,-0.2 -1,-0.2 0.846 101.1 65.2 -60.7 -32.9 -42.5 69.4 10.5 273 273 A K H 3X S+ 0 0 66 -4,-2.4 4,-2.3 1,-0.2 -1,-0.3 0.808 95.2 59.8 -59.7 -30.2 -41.3 71.1 7.3 274 274 A K H X S+ 0 0 2 -4,-2.2 4,-0.7 -5,-0.2 3,-0.5 0.967 122.8 38.4 -57.6 -60.3 -23.4 73.8 5.4 286 286 A M H 3< S+ 0 0 0 -4,-1.9 3,-0.3 -5,-0.3 -1,-0.2 0.814 117.2 53.4 -62.7 -31.2 -21.6 71.3 7.8 287 287 A G H 3< S+ 0 0 0 -4,-1.9 -147,-2.3 -5,-0.5 -146,-1.8 0.765 108.8 47.8 -76.1 -24.4 -21.2 68.8 4.9 288 288 A S H << S+ 0 0 24 -4,-1.6 2,-0.4 -3,-0.5 -1,-0.2 0.497 100.1 79.7 -93.9 -4.7 -19.5 71.3 2.6 289 289 A A < + 0 0 19 -4,-0.7 2,-0.1 -3,-0.3 -148,-0.1 -0.863 53.0 170.0-107.7 138.7 -17.1 72.6 5.2 290 290 A T 0 0 59 -2,-0.4 -2,-0.1 -150,-0.1 -149,-0.1 -0.113 360.0 360.0-117.2-143.5 -13.9 70.8 6.2 291 291 A G 0 0 82 -2,-0.1 -2,-0.0 -289,-0.0 -204,-0.0 -0.154 360.0 360.0 69.3 360.0 -10.9 71.8 8.3 292 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 293 294 B W 0 0 28 0, 0.0 -141,-0.1 0, 0.0 -140,-0.1 0.000 360.0 360.0 360.0 360.0 -39.5 60.2 26.2