==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENDONUCLEASE 11-MAY-95 2ABK . COMPND 2 MOLECULE: ENDONUCLEASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.M.THAYER,J.A.TAINER . 211 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 7 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 47.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 0 0 2 3 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 53 0, 0.0 2,-0.3 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 171.4 28.1 3.3 53.8 2 2 A N > - 0 0 89 1,-0.1 4,-2.6 0, 0.0 5,-0.3 -0.973 360.0 -89.5-148.5 175.3 26.3 0.0 52.6 3 3 A K H > S+ 0 0 174 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.857 120.8 47.5 -51.5 -47.9 24.1 -1.5 49.8 4 4 A A H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 113.7 47.5 -63.9 -41.1 20.7 -0.7 51.4 5 5 A K H > S+ 0 0 61 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.921 111.2 51.7 -67.6 -41.0 21.7 3.0 52.1 6 6 A R H X S+ 0 0 42 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.932 108.7 51.2 -60.0 -43.2 23.1 3.4 48.6 7 7 A L H X S+ 0 0 78 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.926 108.8 50.1 -65.6 -38.1 19.9 2.1 47.1 8 8 A E H X S+ 0 0 79 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.916 108.5 52.8 -68.6 -37.2 17.8 4.6 49.2 9 9 A I H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.968 112.3 45.7 -56.2 -50.1 20.0 7.6 48.0 10 10 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.910 110.4 54.0 -62.4 -38.6 19.5 6.5 44.3 11 11 A T H X S+ 0 0 40 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.911 110.6 46.4 -60.0 -43.6 15.7 6.1 45.0 12 12 A R H X S+ 0 0 56 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.914 110.5 51.5 -67.9 -43.4 15.5 9.7 46.4 13 13 A L H X S+ 0 0 6 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.926 111.7 48.7 -57.7 -41.0 17.5 11.2 43.5 14 14 A R H < S+ 0 0 80 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.929 110.8 49.5 -64.8 -45.8 15.1 9.4 41.0 15 15 A E H < S+ 0 0 147 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.927 112.9 48.1 -53.6 -44.9 12.0 10.6 42.9 16 16 A N H < S+ 0 0 113 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.887 136.6 4.5 -64.9 -41.0 13.4 14.2 42.8 17 17 A N < - 0 0 56 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 -0.683 65.8-171.9-149.9 90.6 14.3 14.1 39.2 18 18 A P S S+ 0 0 65 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.782 85.2 31.0 -58.5 -32.7 13.2 10.9 37.2 19 19 A H S S- 0 0 155 -5,-0.1 2,-0.1 158,-0.0 -5,-0.0 -0.616 77.7-174.0-131.1 79.1 15.1 11.9 34.1 20 20 A P + 0 0 8 0, 0.0 2,-0.3 0, 0.0 157,-0.2 -0.371 13.1 166.8 -68.4 145.8 18.3 13.9 34.7 21 21 A T - 0 0 74 156,-0.2 107,-0.0 -2,-0.1 -2,-0.0 -0.926 37.5 -67.8-149.8 177.2 20.2 15.3 31.8 22 22 A T - 0 0 26 -2,-0.3 -1,-0.0 1,-0.1 155,-0.0 -0.233 30.7-136.2 -58.7 153.4 22.9 17.8 30.7 23 23 A E S S+ 0 0 66 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.438 78.6 101.5 -91.0 -1.7 22.4 21.5 30.9 24 24 A L S S- 0 0 11 23,-0.0 2,-0.3 1,-0.0 -2,-0.1 -0.660 78.5-122.1 -75.3 132.7 23.9 21.9 27.4 25 25 A N + 0 0 102 -2,-0.3 2,-0.3 19,-0.2 10,-0.1 -0.636 46.2 148.9 -77.4 133.0 21.2 22.4 24.8 26 26 A F - 0 0 68 -2,-0.3 22,-0.0 1,-0.1 4,-0.0 -0.976 35.5-171.0-158.7 154.6 21.2 19.9 21.9 27 27 A S S S+ 0 0 93 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.326 79.5 27.5-127.6 5.3 18.8 18.2 19.5 28 28 A S S > S- 0 0 33 1,-0.1 4,-2.0 0, 0.0 -1,-0.2 -0.990 83.4-104.5-155.2 159.3 21.1 15.6 18.0 29 29 A P H > S+ 0 0 47 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.891 122.2 52.4 -51.3 -40.4 24.3 13.6 18.9 30 30 A F H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.947 107.6 49.2 -64.7 -48.3 26.3 15.9 16.6 31 31 A E H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.848 112.7 48.9 -61.1 -34.0 24.9 19.0 18.3 32 32 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.940 109.7 51.7 -68.2 -44.0 25.9 17.4 21.7 33 33 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.939 112.9 44.7 -58.0 -45.0 29.4 16.5 20.5 34 34 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.932 112.7 51.2 -66.1 -43.9 30.1 20.1 19.3 35 35 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.920 111.5 48.2 -60.1 -39.2 28.6 21.6 22.5 36 36 A V H < S+ 0 0 19 -4,-2.7 3,-0.4 1,-0.2 4,-0.4 0.927 109.8 51.4 -68.9 -39.8 30.8 19.3 24.6 37 37 A L H >< S+ 0 0 13 -4,-2.5 3,-0.6 -5,-0.2 -1,-0.2 0.868 110.6 50.0 -63.0 -32.3 33.9 20.3 22.5 38 38 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.773 95.1 78.7 -76.2 -20.2 32.9 24.0 23.1 39 39 A S T >< + 0 0 32 -4,-1.3 3,-1.9 -3,-0.4 -1,-0.2 0.663 58.5 116.1 -60.4 -28.7 32.7 23.3 26.9 40 40 A A T < S- 0 0 51 -3,-0.6 3,-0.1 -4,-0.4 45,-0.1 -0.242 97.7 -11.7 -54.8 120.7 36.4 23.3 27.8 41 41 A Q T 3 S+ 0 0 165 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.849 120.5 101.8 55.4 33.0 37.2 26.2 30.3 42 42 A A S < S- 0 0 30 -3,-1.9 -1,-0.2 37,-0.1 2,-0.1 -0.977 73.5-111.6-138.8 154.6 33.7 27.6 29.6 43 43 A T > - 0 0 77 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.523 27.0-119.3 -81.8 156.5 30.3 27.7 31.4 44 44 A D H > S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 -19,-0.2 0.929 118.0 54.3 -57.9 -38.9 27.3 25.8 30.0 45 45 A V H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 107.5 49.7 -63.5 -40.8 25.5 29.2 29.8 46 46 A S H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 113.1 46.7 -59.0 -46.8 28.4 30.5 27.6 47 47 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.965 111.3 51.1 -61.8 -46.3 28.3 27.5 25.3 48 48 A N H X S+ 0 0 29 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.856 107.9 53.1 -62.3 -34.1 24.4 27.7 25.0 49 49 A K H X S+ 0 0 151 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.932 112.2 44.6 -64.0 -46.6 24.7 31.4 24.0 50 50 A A H >X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 3,-0.8 0.919 114.5 47.6 -65.0 -42.6 27.2 30.6 21.3 51 51 A T H 3X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.824 101.6 64.8 -74.3 -23.0 25.3 27.5 19.9 52 52 A A H 3< S+ 0 0 69 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.825 111.8 37.6 -62.6 -30.3 22.0 29.5 19.9 53 53 A K H << S+ 0 0 100 -3,-0.8 4,-0.3 -4,-0.7 -2,-0.2 0.905 123.7 40.1 -81.1 -48.3 23.8 31.7 17.2 54 54 A L H >X S+ 0 0 0 -4,-2.3 4,-2.3 21,-0.2 3,-1.9 0.934 104.5 58.8 -71.6 -50.6 25.6 28.9 15.4 55 55 A Y T 3< S+ 0 0 17 -4,-2.0 -1,-0.2 1,-0.3 -3,-0.1 0.806 98.5 58.8 -64.9 -29.5 23.2 25.9 15.2 56 56 A P T 34 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.701 117.6 35.2 -63.3 -19.3 20.4 27.8 13.3 57 57 A V T <4 S+ 0 0 81 -3,-1.9 2,-0.3 -4,-0.3 -2,-0.2 0.721 136.1 8.9-106.0 -24.4 22.9 28.5 10.5 58 58 A A < + 0 0 4 -4,-2.3 -1,-0.3 1,-0.1 0, 0.0 -0.828 60.8 146.6-154.5 108.8 25.0 25.3 10.6 59 59 A N + 0 0 66 -2,-0.3 -28,-0.2 -3,-0.1 -29,-0.1 0.129 56.3 69.6-134.4 32.0 24.3 22.1 12.5 60 60 A T S > S- 0 0 60 -30,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.934 88.3-108.1-134.0 157.3 25.5 19.1 10.5 61 61 A P H > S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.912 120.0 50.4 -54.6 -39.1 29.2 18.1 9.7 62 62 A A H > S+ 0 0 52 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.865 111.5 44.2 -66.5 -42.8 28.7 19.3 6.1 63 63 A A H > S+ 0 0 29 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.901 114.1 52.5 -69.8 -37.5 27.2 22.7 6.9 64 64 A M H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 3,-0.3 0.934 108.7 48.4 -62.2 -45.9 29.9 23.2 9.5 65 65 A L H < S+ 0 0 43 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.913 108.8 55.0 -62.4 -37.7 32.7 22.4 7.0 66 66 A E H < S+ 0 0 176 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.756 103.6 55.4 -64.5 -27.7 31.1 24.8 4.5 67 67 A L H X S- 0 0 48 -4,-1.4 4,-0.8 -3,-0.3 -1,-0.2 0.874 101.9-155.6 -73.1 -33.7 31.3 27.5 7.1 68 68 A G H X - 0 0 23 -4,-1.4 4,-2.6 3,-0.2 5,-0.2 0.130 31.4 -66.5 79.0 162.6 35.1 26.9 7.5 69 69 A V H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.936 136.1 43.8 -49.3 -52.1 37.5 27.6 10.5 70 70 A E H > S+ 0 0 131 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.878 112.0 52.3 -68.1 -35.0 37.1 31.3 10.2 71 71 A G H X S+ 0 0 17 -4,-0.8 4,-1.2 2,-0.2 -2,-0.2 0.936 110.4 49.7 -64.2 -42.4 33.3 31.2 9.7 72 72 A V H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.8 0.956 106.2 55.8 -58.2 -49.9 33.0 29.1 12.9 73 73 A K H 3X S+ 0 0 22 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.861 99.1 61.8 -54.1 -37.6 35.2 31.5 14.9 74 74 A T H 3< S+ 0 0 81 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.921 110.9 38.6 -53.2 -44.7 32.8 34.4 14.0 75 75 A Y H << S+ 0 0 70 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.762 125.3 36.2 -80.1 -26.4 29.9 32.6 15.8 76 76 A I H >< S+ 0 0 0 -4,-1.7 3,-2.3 1,-0.1 -2,-0.2 0.335 75.6 114.4-111.1 8.6 32.0 31.2 18.8 77 77 A K T 3< S+ 0 0 119 -4,-1.5 -1,-0.1 1,-0.3 5,-0.1 0.631 70.8 67.0 -54.9 -14.4 34.5 34.1 19.5 78 78 A T T 3 S+ 0 0 95 -3,-0.2 2,-0.3 -5,-0.1 -1,-0.3 0.618 88.0 83.8 -78.0 -15.5 32.9 34.8 22.9 79 79 A I S X S- 0 0 4 -3,-2.3 3,-1.4 1,-0.1 -37,-0.1 -0.679 90.3 -99.1 -91.0 143.1 34.1 31.4 24.2 80 80 A G T 3 S+ 0 0 37 -2,-0.3 -1,-0.1 -39,-0.2 5,-0.1 -0.197 103.9 8.5 -55.9 143.3 37.5 30.7 25.7 81 81 A L T >> S+ 0 0 80 1,-0.1 4,-2.5 -4,-0.1 3,-0.6 0.699 78.6 155.8 58.0 24.5 40.1 29.1 23.4 82 82 A Y H <> + 0 0 79 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.768 62.3 61.5 -58.0 -22.5 37.8 29.5 20.4 83 83 A N H 3> S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.965 112.4 35.5 -69.7 -44.8 40.7 29.4 17.9 84 84 A S H <> S+ 0 0 59 -3,-0.6 4,-2.8 2,-0.2 5,-0.2 0.902 116.9 55.6 -73.5 -35.1 41.8 25.9 18.8 85 85 A K H X S+ 0 0 8 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.955 106.3 50.5 -57.0 -49.2 38.2 24.9 19.4 86 86 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.894 111.4 49.0 -57.6 -40.4 37.3 26.0 15.8 87 87 A E H X S+ 0 0 82 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.960 112.0 47.6 -61.0 -54.3 40.2 23.9 14.4 88 88 A N H X S+ 0 0 42 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.907 110.7 53.6 -55.1 -41.5 39.2 20.8 16.4 89 89 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.970 110.6 44.1 -58.8 -52.8 35.6 21.3 15.2 90 90 A I H X S+ 0 0 7 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.938 115.5 48.6 -60.9 -43.3 36.5 21.4 11.4 91 91 A K H X S+ 0 0 105 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.954 110.9 50.0 -60.5 -46.2 38.8 18.5 11.8 92 92 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.916 109.2 52.6 -60.8 -42.6 36.2 16.4 13.7 93 93 A C H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.898 108.5 50.9 -60.0 -37.0 33.6 17.2 11.0 94 94 A R H X S+ 0 0 112 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.982 110.6 47.5 -65.1 -51.6 35.9 16.0 8.2 95 95 A I H X>S+ 0 0 37 -4,-2.3 5,-1.1 1,-0.2 4,-0.8 0.886 111.6 51.6 -54.1 -43.9 36.7 12.6 10.0 96 96 A L H X5S+ 0 0 0 -4,-2.4 6,-3.1 -5,-0.2 7,-0.6 0.907 112.5 46.7 -62.6 -37.9 32.9 12.1 10.6 97 97 A L H <5S+ 0 0 66 -4,-2.1 4,-0.3 4,-0.3 -2,-0.2 0.948 123.2 31.5 -69.9 -46.0 32.3 12.7 6.9 98 98 A E H ><5S+ 0 0 120 -4,-2.9 3,-0.6 -5,-0.2 -3,-0.2 0.979 133.1 22.6 -70.7 -75.3 35.0 10.5 5.6 99 99 A Q H 3<5S+ 0 0 123 -4,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.685 134.2 30.2 -72.2 -26.4 35.3 7.7 8.2 100 100 A H T >< - 0 0 82 -2,-2.2 4,-2.6 1,-0.1 5,-0.2 -0.893 64.0-146.4-151.2 121.6 32.0 3.7 19.9 108 108 A R H > S+ 0 0 78 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.912 100.2 46.2 -53.5 -53.8 34.4 4.8 22.7 109 109 A A H > S+ 0 0 63 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.941 113.6 50.5 -59.9 -41.3 37.7 4.3 20.8 110 110 A A H > S+ 0 0 16 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.951 113.4 45.0 -61.5 -45.2 36.3 6.0 17.7 111 111 A L H >< S+ 0 0 1 -4,-2.6 3,-1.5 1,-0.2 6,-0.2 0.934 110.8 53.8 -65.5 -40.7 35.1 9.1 19.7 112 112 A E H 3< S+ 0 0 56 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.723 100.7 62.1 -62.9 -25.0 38.4 9.2 21.7 113 113 A A H 3< S+ 0 0 78 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.679 84.6 100.0 -69.1 -23.5 40.2 9.4 18.4 114 114 A L S X< S- 0 0 5 -3,-1.5 3,-1.7 -4,-0.5 2,-0.1 -0.456 88.5 -96.3 -72.1 140.6 38.5 12.6 17.5 115 115 A P T 3 S+ 0 0 31 0, 0.0 -23,-0.2 0, 0.0 -1,-0.1 -0.298 106.5 9.3 -56.5 121.5 40.4 15.9 18.0 116 116 A G T 3 S+ 0 0 49 1,-0.2 2,-0.6 -4,-0.1 5,-0.1 0.218 103.4 103.5 93.0 -17.4 39.5 17.6 21.3 117 117 A V < + 0 0 7 -3,-1.7 -1,-0.2 -6,-0.2 2,-0.1 -0.844 45.0 175.1-107.0 122.9 37.5 14.7 22.7 118 118 A G > - 0 0 35 -2,-0.6 4,-2.9 -3,-0.1 5,-0.3 -0.393 50.1 -71.3-104.0-166.4 39.2 12.5 25.4 119 119 A R H > S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 130.1 45.6 -54.5 -48.3 38.0 9.5 27.6 120 120 A K H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 115.3 47.9 -64.3 -40.4 35.7 11.6 29.9 121 121 A T H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.942 110.8 49.9 -66.6 -47.8 34.2 13.4 26.9 122 122 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.941 113.1 48.8 -53.4 -45.8 33.6 10.2 25.0 123 123 A N H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.901 110.5 49.3 -62.7 -41.2 31.9 8.8 28.1 124 124 A V H X S+ 0 0 24 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.947 113.9 46.4 -65.0 -44.6 29.7 11.9 28.6 125 125 A V H X>S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-1.0 0.959 112.8 48.6 -63.6 -45.0 28.7 11.7 24.9 126 126 A L H X5S+ 0 0 0 -4,-2.9 6,-2.1 1,-0.2 4,-0.7 0.926 118.2 42.0 -60.0 -44.6 27.9 7.9 25.0 127 127 A N H X5S+ 0 0 8 -4,-2.2 4,-1.0 4,-0.3 -2,-0.2 0.966 122.9 35.7 -64.7 -47.4 25.9 8.4 28.2 128 128 A T H <5S+ 0 0 21 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.932 128.4 29.4 -84.0 -43.2 24.0 11.6 27.2 129 129 A A H <5S+ 0 0 26 -4,-2.4 -3,-0.2 -5,-0.4 -1,-0.2 0.867 134.9 25.2 -84.5 -33.8 23.4 11.2 23.5 130 130 A F H < - 0 0 22 -2,-0.6 4,-2.8 18,-0.0 5,-0.2 -0.577 55.4 -81.0-105.3-173.0 34.5 15.2 37.4 139 139 A T H > S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.928 128.5 51.1 -58.6 -43.3 35.4 17.4 40.4 140 140 A H H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 113.2 42.1 -59.2 -48.0 31.7 17.7 41.5 141 141 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.919 113.7 54.7 -69.1 -38.5 31.0 14.0 41.4 142 142 A F H X S+ 0 0 59 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.957 111.3 43.9 -58.4 -49.8 34.4 13.4 43.1 143 143 A R H X S+ 0 0 44 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.949 115.1 48.5 -60.7 -43.9 33.5 15.8 46.0 144 144 A V H X S+ 0 0 3 -4,-2.5 4,-2.4 -5,-0.2 6,-0.4 0.951 111.3 49.4 -61.7 -47.9 29.9 14.4 46.3 145 145 A C H X S+ 0 0 0 -4,-2.7 6,-1.1 1,-0.2 4,-0.9 0.891 116.4 42.1 -63.9 -36.9 31.1 10.7 46.4 146 146 A N H < S+ 0 0 42 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.915 115.0 49.1 -77.6 -43.3 33.7 11.4 49.0 147 147 A R H < S+ 0 0 36 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.972 120.2 35.8 -59.3 -50.1 31.6 13.6 51.2 148 148 A T H < S- 0 0 5 -4,-2.4 56,-1.4 -5,-0.3 -1,-0.2 0.727 102.1-130.4 -71.9 -20.2 28.6 11.3 51.3 149 149 A Q < + 0 0 71 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.560 68.4 132.0 69.8 15.2 30.8 8.1 51.4 150 150 A F S S- 0 0 4 -6,-0.4 -4,-0.1 -5,-0.4 -5,-0.1 0.933 92.0 -9.3 -58.1 -44.8 28.6 6.8 48.5 151 151 A A S S- 0 0 0 -6,-1.1 -1,-0.2 -9,-0.1 12,-0.2 -0.518 83.8-167.8-154.1 76.8 31.8 5.8 46.5 152 152 A P + 0 0 29 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 -0.287 16.5 154.3 -69.9 152.5 35.0 7.2 48.2 153 153 A G - 0 0 11 -11,-0.1 -2,-0.1 1,-0.1 -7,-0.1 -0.951 47.6-122.2-170.0 159.9 38.3 7.3 46.4 154 154 A K S S+ 0 0 178 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.616 92.9 8.6 -84.1 -21.3 41.7 9.1 46.3 155 155 A N S > S- 0 0 73 1,-0.1 4,-1.6 -13,-0.0 5,-0.2 -0.929 90.6 -85.0-147.7 176.9 41.6 10.1 42.6 156 156 A V H > S+ 0 0 68 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.913 120.1 53.0 -55.7 -46.9 39.2 10.1 39.7 157 157 A E H > S+ 0 0 144 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 107.5 50.9 -61.6 -40.2 39.9 6.5 38.5 158 158 A Q H > S+ 0 0 83 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 112.7 45.7 -62.8 -39.9 39.2 4.9 41.9 159 159 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.950 113.6 50.3 -70.9 -41.7 35.8 6.7 42.3 160 160 A E H X S+ 0 0 39 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.934 113.0 45.8 -59.2 -44.8 34.9 5.8 38.7 161 161 A E H X S+ 0 0 114 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.947 112.9 49.4 -67.6 -44.4 35.8 2.2 39.3 162 162 A K H X S+ 0 0 87 -4,-2.6 4,-2.8 -5,-0.2 3,-0.5 0.937 109.7 53.0 -59.4 -42.9 33.9 2.1 42.7 163 163 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.925 105.5 52.8 -60.1 -42.1 30.8 3.7 41.1 164 164 A L H < S+ 0 0 60 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.777 115.3 43.1 -66.8 -23.6 30.7 1.0 38.3 165 165 A K H < S+ 0 0 145 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.825 121.2 36.9 -83.8 -37.3 30.8 -1.7 41.2 166 166 A V H < S+ 0 0 34 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.667 93.2 84.8 -94.5 -17.7 28.3 -0.1 43.6 167 167 A V S < S- 0 0 3 -4,-2.0 5,-0.1 -5,-0.3 -160,-0.0 -0.744 82.5-120.4 -84.8 123.0 25.6 1.5 41.4 168 168 A P >> - 0 0 52 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.284 23.6-113.4 -54.3 146.2 22.8 -1.1 40.4 169 169 A A G >4 S+ 0 0 85 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.857 115.6 64.6 -49.1 -37.3 22.5 -1.6 36.6 170 170 A E G 34 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.793 111.0 35.3 -55.5 -30.7 19.0 -0.1 36.9 171 171 A F G <> S+ 0 0 3 -3,-2.0 4,-1.1 1,-0.1 3,-0.5 0.527 90.1 93.8-105.2 -9.6 20.5 3.2 37.9 172 172 A K T << S+ 0 0 38 -4,-1.0 4,-0.5 -3,-0.6 -2,-0.1 0.769 80.5 55.8 -64.5 -26.0 23.7 3.4 35.9 173 173 A V T 4 S+ 0 0 54 -4,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.873 117.8 33.9 -75.2 -31.5 22.4 5.4 32.9 174 174 A D T > S+ 0 0 45 -3,-0.5 4,-2.1 -4,-0.2 -1,-0.2 0.543 94.4 92.5 -97.9 -3.7 21.1 8.3 35.1 175 175 A C H X S+ 0 0 0 -4,-1.1 4,-2.5 1,-0.2 5,-0.2 0.907 81.4 51.7 -58.4 -48.9 23.8 8.2 37.7 176 176 A H H > S+ 0 0 7 -4,-0.5 4,-2.5 -42,-0.3 5,-0.2 0.948 113.3 43.8 -53.8 -54.1 26.3 10.7 36.3 177 177 A H H > S+ 0 0 10 -4,-0.3 4,-2.3 1,-0.2 5,-0.3 0.918 112.1 53.2 -66.3 -37.2 23.7 13.5 35.7 178 178 A W H X S+ 0 0 9 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.935 113.4 42.9 -59.5 -45.5 22.1 12.9 39.2 179 179 A L H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.909 114.4 48.5 -74.5 -33.5 25.4 13.3 41.0 180 180 A I H X S+ 0 0 16 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.931 112.7 47.4 -72.5 -38.7 26.7 16.3 39.0 181 181 A L H X S+ 0 0 32 -4,-2.3 4,-2.1 -5,-0.2 5,-0.3 0.910 112.8 51.6 -68.1 -34.7 23.4 18.3 39.4 182 182 A H H X>S+ 0 0 15 -4,-1.8 5,-2.7 -5,-0.3 4,-2.0 0.935 113.5 43.7 -66.0 -43.1 23.5 17.4 43.1 183 183 A G H <5S+ 0 0 0 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.905 114.8 48.5 -68.6 -40.6 27.1 18.7 43.4 184 184 A R H <5S+ 0 0 68 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.905 126.5 22.2 -68.2 -40.4 26.5 21.8 41.4 185 185 A Y H <5S+ 0 0 112 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.640 137.2 13.9-109.3 -16.4 23.4 23.1 43.1 186 186 A T T <5S+ 0 0 32 -4,-2.0 7,-3.0 -5,-0.3 2,-1.8 0.653 121.8 46.1-122.3 -56.4 23.2 21.5 46.6 187 187 A C S + 0 0 117 -7,-3.0 3,-1.7 1,-0.2 -6,-0.1 -0.232 57.2 150.5 -90.9 55.8 23.4 23.3 51.5 194 194 A C G > + 0 0 13 -2,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.809 60.9 61.3 -56.7 -37.2 23.0 20.5 54.0 195 195 A G G 3 S+ 0 0 42 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.618 115.7 35.4 -68.6 -13.4 19.9 21.9 55.8 196 196 A S G < S+ 0 0 84 -3,-1.7 2,-0.5 -10,-0.1 -1,-0.3 0.077 89.2 127.3-122.3 18.4 18.0 21.7 52.5 197 197 A C X - 0 0 26 -3,-1.5 3,-1.6 1,-0.1 4,-0.3 -0.691 54.0-146.2 -87.7 129.5 19.6 18.5 51.1 198 198 A I T 3 S+ 0 0 60 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.704 101.4 38.1 -67.7 -16.9 17.3 15.7 50.0 199 199 A I T >> S+ 0 0 5 1,-0.1 4,-1.7 2,-0.1 3,-1.7 0.164 78.1 120.2-115.6 21.3 19.7 13.0 51.1 200 200 A E G X4 S+ 0 0 60 -3,-1.6 3,-0.5 1,-0.3 5,-0.1 0.911 74.7 51.3 -55.0 -45.4 21.0 14.7 54.3 201 201 A D G 34 S+ 0 0 97 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.629 114.5 44.0 -72.5 -8.8 19.9 11.8 56.6 202 202 A L G <4 S+ 0 0 17 -3,-1.7 -1,-0.2 -194,-0.0 2,-0.2 0.597 92.5 99.9-100.5 -19.1 21.7 9.3 54.4 203 203 A C << - 0 0 21 -4,-1.7 -55,-0.1 -3,-0.5 -54,-0.1 -0.454 58.6-156.2 -71.4 131.2 24.9 11.3 53.9 204 204 A E + 0 0 64 -56,-1.4 2,-0.3 -2,-0.2 -56,-0.1 0.170 43.7 136.2 -94.3 19.8 27.9 10.3 56.1 205 205 A Y > - 0 0 65 1,-0.1 3,-0.7 -5,-0.1 -57,-0.1 -0.499 43.5-155.1 -66.5 126.3 29.8 13.7 56.0 206 206 A K T 3 S+ 0 0 188 -2,-0.3 -1,-0.1 1,-0.2 -59,-0.0 0.674 86.3 54.3 -81.8 -9.5 31.0 14.6 59.5 207 207 A E T 3 S+ 0 0 133 -60,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.128 71.3 163.6-116.0 37.6 31.2 18.4 58.9 208 208 A K < - 0 0 63 -3,-0.7 3,-0.1 1,-0.1 -15,-0.0 -0.196 24.8-149.3 -53.8 145.4 27.5 19.1 57.7 209 209 A V S S+ 0 0 49 1,-0.1 2,-0.1 -17,-0.1 -1,-0.1 0.984 71.3 26.1 -98.2 -65.6 26.7 22.8 57.9 210 210 A D 0 0 91 -18,-0.4 -1,-0.1 1,-0.1 -2,-0.0 0.120 360.0 360.0 -94.8 38.2 23.2 24.3 58.5 211 211 A I 0 0 171 -3,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 0.980 360.0 360.0 54.3 360.0 22.0 21.2 60.4