==== 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 CHAPERONE 03-NOV-10 3PH0 . COMPND 2 MOLECULE: ASCE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR C.CHATTERJEE,S.KUMAR,S.CHAKRABORTY,Y.W.TAN,K.Y.LEUNG,J.SIVAR . 226 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 79.6 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 2 0 0 0 0 1 2 0 1 2 0 0 0 0 1 3 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 78 0, 0.0 2,-0.2 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 -51.6 24.4 20.8 70.7 2 2 A M - 0 0 55 1,-0.1 187,-0.2 2,-0.0 2,-0.1 -0.484 360.0-134.4 -77.4 144.2 25.1 17.4 69.2 3 3 A T > - 0 0 7 -2,-0.2 4,-0.8 70,-0.1 -1,-0.1 -0.400 21.1-114.5 -93.2 171.5 22.8 15.9 66.6 4 4 A N H > S+ 0 0 4 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.815 114.8 64.1 -72.9 -30.5 21.3 12.4 66.2 5 5 A L H >> S+ 0 0 1 1,-0.2 4,-1.1 2,-0.2 3,-1.1 0.935 95.8 54.9 -57.6 -51.5 23.5 12.1 63.1 6 6 A E H 3> S+ 0 0 23 1,-0.3 4,-0.7 2,-0.2 3,-0.2 0.835 108.4 49.4 -53.3 -36.5 26.8 12.3 65.0 7 7 A T H 3<>S+ 0 0 58 -4,-0.8 5,-0.8 -3,-0.3 -1,-0.3 0.704 108.3 52.6 -78.5 -19.8 25.7 9.4 67.3 8 8 A R H <<>S+ 0 0 33 -3,-1.1 5,-0.5 -4,-1.0 9,-0.5 0.600 112.6 46.0 -87.8 -14.4 24.7 7.2 64.4 9 9 A L H <5S+ 0 0 8 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.533 95.3 76.4-101.5 -10.9 28.1 7.8 62.8 10 10 A S T <5S- 0 0 68 -4,-0.7 -1,-0.1 51,-0.3 -2,-0.1 0.361 125.2 -78.7 -83.7 5.7 30.1 7.2 66.0 11 11 A G T 5S+ 0 0 53 -3,-0.2 -3,-0.1 2,-0.1 -2,-0.1 0.237 108.4 103.4 118.7 -13.9 29.7 3.4 65.9 12 12 A A T < + 0 0 34 -5,-0.5 4,-2.5 -6,-0.1 -1,-0.3 -0.558 65.3 169.0-144.0 73.8 24.7 2.3 63.6 14 14 A P H > S+ 0 0 84 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.833 81.3 49.1 -54.0 -40.5 27.4 0.7 61.4 15 15 A V H > S+ 0 0 78 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.924 110.6 48.3 -69.9 -46.1 24.9 -0.1 58.6 16 16 A F H >> S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 3,-0.9 0.968 110.4 54.7 -55.7 -53.1 23.3 3.4 58.5 17 17 A A H 3X S+ 0 0 21 -4,-2.5 4,-2.1 -9,-0.5 -1,-0.2 0.857 110.0 43.5 -48.8 -48.0 26.8 4.9 58.4 18 18 A R H 3X S+ 0 0 168 -4,-1.7 4,-1.5 2,-0.2 -1,-0.3 0.703 111.8 53.9 -77.1 -16.9 28.0 3.0 55.4 19 19 A E H + 0 0 89 2,-0.1 4,-1.5 3,-0.1 5,-0.1 0.217 360.0 75.3-121.8 -0.6 27.3 25.9 34.8 40 44 A Y H > S+ 0 0 102 2,-0.2 4,-4.0 1,-0.2 5,-0.3 0.881 86.2 58.3 -78.8 -42.3 30.4 24.2 36.0 41 45 A Q H > S+ 0 0 110 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.826 107.7 49.5 -58.9 -30.2 30.9 26.6 38.9 42 46 A Q H > S+ 0 0 69 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.964 117.0 37.7 -72.2 -53.7 27.4 25.5 40.1 43 47 A W H X S+ 0 0 56 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.891 115.7 54.0 -64.7 -39.6 28.1 21.7 39.8 44 48 A Q H X S+ 0 0 88 -4,-4.0 4,-2.0 1,-0.2 -1,-0.2 0.865 106.3 53.9 -61.8 -34.7 31.6 22.2 41.0 45 49 A Q H X S+ 0 0 50 -4,-1.2 4,-1.9 -5,-0.3 -1,-0.2 0.900 109.7 47.4 -65.6 -39.2 30.1 23.9 44.0 46 50 A E H X S+ 0 0 19 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.848 108.5 53.9 -69.9 -36.2 27.9 20.8 44.5 47 51 A A H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.868 108.8 50.4 -65.8 -36.7 30.9 18.5 44.2 48 52 A D H X S+ 0 0 71 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.937 108.7 51.5 -65.3 -47.1 32.6 20.5 46.9 49 53 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 40,-0.3 -2,-0.2 0.910 112.3 45.3 -56.6 -46.6 29.6 20.3 49.2 50 54 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.954 114.8 46.8 -64.6 -48.4 29.4 16.5 48.9 51 55 A E H X S+ 0 0 88 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.898 109.4 56.9 -59.4 -38.9 33.1 16.0 49.3 52 56 A A H >X S+ 0 0 4 -4,-3.0 4,-1.8 1,-0.2 3,-0.8 0.933 104.4 51.1 -57.7 -47.1 32.9 18.3 52.3 53 57 A G H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.845 106.7 54.9 -60.0 -33.3 30.3 16.1 53.9 54 58 A L H 3X S+ 0 0 21 -4,-1.6 4,-0.6 1,-0.2 -1,-0.3 0.760 105.9 52.9 -70.8 -26.0 32.6 13.1 53.4 55 59 A N H > - 0 0 89 1,-0.1 4,-2.4 4,-0.0 3,-1.2 -0.450 360.0-104.1 -73.2 150.1 17.6 14.6 46.5 65 3 C V H 3> S+ 0 0 74 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.793 120.3 54.1 -41.3 -43.7 16.1 16.7 49.3 66 4 C Q H 3> S+ 0 0 104 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.893 111.5 45.4 -62.9 -39.2 16.4 14.0 51.9 67 5 C L H <> S+ 0 0 5 -3,-1.2 4,-1.8 2,-0.2 3,-0.4 0.926 110.1 54.8 -69.8 -43.0 20.1 13.7 51.2 68 6 C K H X S+ 0 0 30 -4,-2.4 4,-2.0 1,-0.3 -2,-0.2 0.902 105.9 51.5 -55.6 -44.0 20.5 17.5 51.2 69 7 C K H X S+ 0 0 33 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.827 107.0 54.7 -64.7 -28.9 19.0 17.7 54.6 70 8 C Q H X S+ 0 0 37 -4,-1.1 4,-1.8 -3,-0.4 -1,-0.2 0.842 107.8 49.1 -71.0 -35.2 21.5 15.0 55.8 71 9 C L H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.859 109.8 51.4 -72.5 -34.4 24.4 17.2 54.5 72 10 C A H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.923 111.5 46.4 -67.1 -45.4 23.0 20.2 56.3 73 11 C E H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.894 112.7 51.7 -63.2 -36.4 22.8 18.3 59.5 74 12 C L H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.899 109.8 48.8 -64.9 -41.4 26.3 17.1 58.8 75 13 C A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.901 110.4 50.5 -65.3 -41.7 27.5 20.7 58.2 76 14 C L H X S+ 0 0 31 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.909 110.8 49.3 -62.3 -42.1 25.9 21.8 61.5 77 15 C A H >< S+ 0 0 7 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.863 108.2 56.6 -64.2 -35.6 27.6 18.9 63.2 78 16 C G H ><>S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 5,-2.1 0.854 95.4 61.6 -65.8 -37.4 30.8 20.0 61.5 79 17 C T H ><5S+ 0 0 1 -4,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.784 103.6 53.1 -61.7 -23.7 30.7 23.6 62.9 80 18 C G T <<5S+ 0 0 40 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.345 108.2 50.5 -92.2 6.8 30.9 22.0 66.4 81 19 C H T < 5S- 0 0 71 -3,-2.2 -1,-0.2 0, 0.0 -2,-0.2 -0.025 121.3 -96.4-131.1 28.0 34.0 20.0 65.4 82 20 C H T < 5S+ 0 0 157 -3,-0.6 3,-0.2 1,-0.1 -3,-0.2 0.868 85.0 130.9 58.6 39.2 36.2 22.7 64.0 83 21 C C >< + 0 0 0 -5,-2.1 4,-2.6 1,-0.2 5,-0.2 -0.272 15.0 140.6-113.8 44.9 35.1 21.9 60.4 84 22 C H H > + 0 0 47 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.786 68.7 53.1 -59.9 -31.7 34.3 25.4 59.3 85 23 C Q H > S+ 0 0 153 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.950 112.5 44.3 -69.3 -48.1 35.7 25.0 55.8 86 24 C E H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.929 113.9 49.8 -60.3 -48.2 33.6 21.9 55.1 87 25 C A H X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 -1,-0.2 0.881 109.9 52.2 -59.5 -38.6 30.5 23.5 56.6 88 26 C A H X S+ 0 0 43 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.908 107.1 51.6 -64.6 -43.0 31.1 26.6 54.5 89 27 C S H X S+ 0 0 37 -4,-2.2 4,-1.2 2,-0.2 -40,-0.3 0.939 115.2 42.7 -59.3 -47.0 31.3 24.5 51.3 90 28 C I H >X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.7 0.963 112.5 53.9 -63.5 -51.0 28.1 22.8 52.2 91 29 C A H 3X S+ 0 0 0 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.879 107.4 49.7 -50.3 -47.3 26.4 26.1 53.3 92 30 C D H 3X S+ 0 0 63 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.798 111.4 48.9 -66.6 -28.9 27.1 27.9 50.0 93 31 C W H X< S+ 0 0 11 -4,-1.2 3,-1.2 -3,-0.7 4,-0.2 0.914 111.5 47.6 -75.9 -45.9 25.8 25.0 47.9 94 32 C L H >< S+ 0 0 0 -4,-2.5 3,-2.5 1,-0.3 6,-0.3 0.842 100.4 69.4 -63.0 -30.8 22.6 24.8 49.9 95 33 C A H 3< S+ 0 0 43 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.834 81.1 75.5 -54.9 -32.8 22.4 28.5 49.6 96 34 C Q T << S+ 0 0 90 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.3 0.718 90.9 69.7 -52.7 -20.8 21.7 27.9 45.9 97 35 C E S < S- 0 0 69 -3,-2.5 3,-0.3 -4,-0.2 0, 0.0 -0.784 70.5-150.6-105.5 146.9 18.2 26.9 47.0 98 36 C E S > S+ 0 0 175 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.774 94.3 60.7 -81.7 -30.7 15.5 29.2 48.4 99 37 C C T 3 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.559 101.3 55.7 -75.8 -7.7 13.8 26.6 50.6 100 38 C M T 3> S+ 0 0 8 -6,-0.3 4,-2.2 -3,-0.3 5,-0.3 0.188 70.6 118.1-108.4 14.3 17.0 26.2 52.7 101 39 C A H <> S+ 0 0 52 -3,-1.1 4,-1.8 1,-0.2 3,-0.3 0.926 80.9 37.6 -41.6 -68.9 17.5 29.9 53.6 102 40 C E H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.780 111.4 63.3 -56.9 -32.3 17.2 29.5 57.4 103 41 C C H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.940 107.1 40.5 -60.5 -51.2 19.1 26.2 57.2 104 42 C V H X S+ 0 0 12 -4,-2.2 4,-2.7 -3,-0.3 5,-0.2 0.830 110.7 62.7 -68.2 -30.8 22.3 27.8 55.9 105 43 C T H X S+ 0 0 46 -4,-1.8 4,-3.3 -5,-0.3 5,-0.2 0.970 105.7 42.4 -57.1 -56.9 21.7 30.7 58.3 106 44 C L H X S+ 0 0 18 -4,-2.5 4,-3.6 2,-0.2 5,-0.3 0.923 112.9 52.9 -57.3 -49.4 22.0 28.5 61.4 107 45 C I H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.951 114.7 42.2 -51.9 -52.8 25.0 26.6 60.0 108 46 C R H X S+ 0 0 107 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.916 115.5 48.8 -61.5 -43.6 26.8 29.9 59.3 109 47 C L H X S+ 0 0 41 -4,-3.3 4,-2.0 -5,-0.2 -1,-0.2 0.875 112.6 49.3 -64.9 -34.8 25.7 31.4 62.6 110 48 C S H X S+ 0 0 10 -4,-3.6 4,-1.5 -5,-0.2 -1,-0.2 0.868 112.5 47.7 -70.1 -36.9 26.9 28.2 64.3 111 49 C S H X S+ 0 0 21 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.883 110.3 52.3 -71.2 -37.5 30.2 28.5 62.5 112 50 C L H < S+ 0 0 127 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.891 112.2 45.8 -64.4 -39.9 30.5 32.1 63.4 113 51 C M H < S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.774 115.7 44.7 -75.3 -28.7 29.9 31.3 67.1 114 52 C N H < 0 0 82 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.679 360.0 360.0 -91.0 -18.2 32.3 28.4 67.2 115 53 C Q < 0 0 103 -4,-1.6 -36,-0.0 -5,-0.1 -3,-0.0 -0.239 360.0 360.0 -64.8 360.0 35.2 29.9 65.3 116 !* 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 0.0 117 1 B M 0 0 69 0, 0.0 2,-0.7 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 -37.8 16.9 21.4 57.7 118 2 B M - 0 0 43 -52,-0.1 -45,-0.2 2,-0.0 5,-0.1 -0.731 360.0-134.2 -87.4 113.3 15.5 18.3 59.3 119 3 B T >> - 0 0 10 -2,-0.7 3,-1.3 1,-0.1 4,-0.5 -0.298 27.6-110.3 -60.7 149.3 17.6 16.9 62.1 120 4 B N H 3> S+ 0 0 4 1,-0.3 4,-0.8 2,-0.2 3,-0.2 0.682 112.5 77.5 -54.9 -18.6 18.0 13.1 61.9 121 5 B L H >> S+ 0 0 0 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.908 84.2 58.4 -58.2 -49.8 15.7 13.0 65.0 122 6 B E H X> S+ 0 0 16 -3,-1.3 3,-1.0 1,-0.2 4,-0.7 0.859 103.0 50.4 -52.7 -45.7 12.5 13.6 63.0 123 7 B T H 3<>S+ 0 0 45 -4,-0.5 5,-1.2 1,-0.2 -1,-0.2 0.754 108.6 52.1 -69.1 -23.7 12.7 10.6 60.8 124 8 B R H <<5S+ 0 0 38 -4,-0.8 5,-0.3 -3,-0.8 -1,-0.2 0.526 114.8 43.6 -88.0 -5.8 13.3 8.2 63.7 125 9 B L H <<5S+ 0 0 6 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.418 101.7 70.3-111.7 -6.5 10.3 9.6 65.4 126 10 B S T <5S- 0 0 74 -4,-0.7 -2,-0.1 51,-0.2 -3,-0.1 0.398 129.2 -73.3 -92.8 2.5 8.2 9.6 62.2 127 11 B G T 5S+ 0 0 55 -4,-0.1 -3,-0.1 2,-0.1 -4,-0.1 0.084 110.2 100.0 130.7 -25.2 7.8 5.8 62.0 128 12 B A S + 0 0 33 -5,-0.3 4,-1.8 -6,-0.2 -1,-0.2 -0.467 60.3 169.9-154.7 77.4 12.4 3.6 64.4 130 14 B P H > S+ 0 0 89 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.883 82.0 53.0 -54.4 -47.7 9.7 2.7 67.0 131 15 B V H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.938 112.3 46.4 -56.9 -45.8 12.1 1.3 69.6 132 16 B F H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.843 112.2 51.2 -63.9 -36.4 14.0 4.5 69.5 133 17 B A H X S+ 0 0 22 -4,-1.8 4,-1.8 -9,-0.2 -1,-0.2 0.861 114.2 42.1 -71.0 -37.7 10.9 6.6 69.6 134 18 B R H X S+ 0 0 168 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.726 112.5 54.6 -82.8 -20.5 9.5 4.8 72.7 135 19 B E H X S+ 0 0 83 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.912 111.2 44.9 -75.5 -43.0 12.9 4.8 74.4 136 20 B L H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.937 115.8 45.8 -64.9 -47.3 13.2 8.5 74.0 137 21 B H H X S+ 0 0 89 -4,-1.8 4,-2.0 1,-0.2 3,-0.5 0.936 112.8 54.1 -59.8 -44.3 9.6 9.1 75.2 138 22 B A H X S+ 0 0 48 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.878 107.1 47.2 -58.7 -45.3 10.3 6.6 78.0 139 23 B Q H X S+ 0 0 87 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.726 110.2 53.4 -74.1 -19.2 13.4 8.3 79.4 140 24 B L H X S+ 0 0 1 -4,-1.3 4,-3.1 -3,-0.5 5,-0.2 0.925 107.3 48.4 -78.7 -47.3 11.8 11.8 79.4 141 25 B V H X S+ 0 0 55 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.872 111.0 55.7 -58.0 -33.7 8.7 10.7 81.4 142 26 B Q H X S+ 0 0 120 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.942 109.4 43.2 -61.5 -49.6 11.3 9.1 83.7 143 27 B A H X S+ 0 0 8 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.853 110.1 57.8 -65.1 -33.7 13.1 12.5 84.1 144 28 B L H X S+ 0 0 28 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.896 106.3 50.1 -62.3 -38.4 9.6 14.0 84.5 145 29 B G H X S+ 0 0 28 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.889 108.6 50.5 -67.3 -40.6 9.1 11.7 87.4 146 30 B D H X S+ 0 0 64 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.862 113.3 44.9 -67.1 -36.3 12.4 12.6 89.0 147 31 B V H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.840 110.1 56.1 -75.8 -33.2 11.8 16.3 88.8 148 32 B K H < S+ 0 0 99 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.911 108.5 45.7 -65.6 -42.6 8.2 15.9 90.1 149 33 B R H >< S+ 0 0 163 -4,-1.9 3,-2.4 1,-0.2 -1,-0.2 0.886 108.0 56.3 -69.3 -37.4 9.2 14.1 93.2 150 34 B R H 3< S+ 0 0 83 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.857 100.6 58.5 -61.0 -31.5 11.9 16.6 93.9 151 35 B L T 3< 0 0 37 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.541 360.0 360.0 -71.7 -3.3 9.1 19.1 93.8 152 36 B L < 0 0 171 -3,-2.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.347 360.0 360.0 62.5 360.0 7.8 16.9 96.6 153 ! 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 0.0 154 42 B Q 0 0 168 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.6 13.3 29.3 95.8 155 43 B Q > + 0 0 96 2,-0.1 4,-2.0 3,-0.1 3,-0.3 0.404 360.0 68.6-130.3 -20.0 14.5 26.0 94.4 156 44 B Y H > S+ 0 0 112 1,-0.2 4,-4.1 2,-0.2 5,-0.4 0.879 87.4 66.0 -68.8 -40.6 11.1 25.1 92.8 157 45 B Q H > S+ 0 0 119 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.850 107.9 43.3 -49.0 -35.9 11.5 27.9 90.3 158 46 B Q H > S+ 0 0 99 -3,-0.3 4,-2.5 2,-0.2 3,-0.3 0.981 116.8 41.5 -73.9 -63.0 14.4 25.8 89.0 159 47 B W H X S+ 0 0 45 -4,-2.0 4,-3.0 1,-0.3 -2,-0.2 0.823 114.8 53.8 -55.7 -34.3 12.9 22.3 89.1 160 48 B Q H X S+ 0 0 76 -4,-4.1 4,-3.0 2,-0.2 -1,-0.3 0.898 107.2 51.0 -67.0 -40.4 9.7 23.8 87.7 161 49 B Q H X S+ 0 0 46 -4,-1.1 4,-2.3 -5,-0.4 -2,-0.2 0.943 112.8 45.8 -60.2 -48.3 11.6 25.3 84.9 162 50 B E H X S+ 0 0 15 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.922 111.7 52.1 -60.3 -45.8 13.2 21.8 84.3 163 51 B A H X S+ 0 0 3 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.915 110.2 47.9 -57.6 -45.4 9.7 20.3 84.6 164 52 B D H X S+ 0 0 74 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.882 112.0 52.6 -62.7 -37.0 8.4 22.7 82.0 165 53 B A H X S+ 0 0 0 -4,-2.3 4,-1.4 40,-0.2 -2,-0.2 0.949 111.5 42.8 -63.5 -52.8 11.4 21.8 79.8 166 54 B I H >X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 3,-0.7 0.947 112.9 52.2 -59.6 -51.1 10.9 18.1 79.9 167 55 B E H 3X S+ 0 0 85 -4,-2.5 4,-1.3 1,-0.3 -1,-0.2 0.830 105.4 57.6 -55.8 -32.3 7.2 18.3 79.4 168 56 B A H 3X S+ 0 0 3 -4,-1.4 4,-2.2 1,-0.2 -1,-0.3 0.875 103.6 51.8 -67.9 -36.1 7.9 20.5 76.4 169 57 B G H - 0 0 94 2,-0.0 4,-0.7 3,-0.0 5,-0.0 -0.402 360.0-115.0 158.5 164.5 22.0 13.7 82.3 181 3 D V H > S+ 0 0 94 -2,-0.3 4,-1.0 2,-0.1 3,-0.5 0.842 124.1 55.9 -84.0 -25.2 24.2 15.9 80.4 182 4 D Q H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.834 94.1 62.7 -61.9 -42.0 22.5 13.9 77.7 183 5 D L H > S+ 0 0 8 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.885 106.1 47.7 -53.0 -41.8 18.9 14.8 78.8 184 6 D K H X S+ 0 0 7 -4,-0.7 4,-1.7 -3,-0.5 -1,-0.3 0.791 108.5 53.3 -69.3 -32.3 19.7 18.4 77.9 185 7 D K H X S+ 0 0 38 -4,-1.0 4,-1.6 -3,-0.4 -1,-0.2 0.772 108.8 50.5 -76.0 -26.3 21.3 17.5 74.6 186 8 D Q H X S+ 0 0 30 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.783 111.9 46.1 -81.1 -28.8 18.1 15.6 73.6 187 9 D L H X S+ 0 0 0 -4,-1.3 4,-2.6 -5,-0.2 -2,-0.2 0.839 108.5 59.1 -79.8 -33.5 15.8 18.5 74.5 188 10 D A H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.970 112.7 35.0 -59.6 -57.0 18.1 20.9 72.7 189 11 D E H X S+ 0 0 14 -4,-1.6 4,-3.6 1,-0.2 5,-0.2 0.876 116.4 57.1 -67.6 -32.2 17.9 19.3 69.3 190 12 D L H X S+ 0 0 0 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.873 107.8 48.3 -63.6 -35.8 14.3 18.4 70.1 191 13 D A H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.909 113.4 46.1 -70.8 -41.2 13.7 22.1 70.6 192 14 D L H >X S+ 0 0 28 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.958 112.1 50.6 -64.9 -49.4 15.4 23.0 67.4 193 15 D A H >< S+ 0 0 4 -4,-3.6 3,-0.7 1,-0.2 -1,-0.2 0.835 109.3 54.7 -56.1 -33.8 13.5 20.3 65.5 194 16 D G H ><>S+ 0 0 0 -4,-1.5 3,-3.3 -5,-0.2 5,-1.7 0.805 88.6 71.6 -73.0 -31.9 10.3 21.7 67.0 195 17 D T H X<5S+ 0 0 3 -4,-1.5 3,-0.5 -3,-0.6 -1,-0.2 0.733 97.6 56.1 -56.2 -20.1 10.8 25.3 65.8 196 18 D G T <<5S+ 0 0 40 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.322 104.3 52.6 -94.1 6.4 10.0 23.8 62.4 197 19 D H T < 5S- 0 0 62 -3,-3.3 -1,-0.2 0, 0.0 -2,-0.2 0.039 119.4 -98.8-128.3 25.6 6.7 22.4 63.6 198 20 D H T < 5S+ 0 0 156 -3,-0.5 3,-0.3 1,-0.1 -3,-0.2 0.756 85.0 129.1 64.5 26.5 5.1 25.5 65.1 199 21 D C >< + 0 0 0 -5,-1.7 4,-2.5 1,-0.2 3,-0.3 -0.247 17.2 138.0-102.5 41.4 6.1 24.5 68.6 200 22 D H H > + 0 0 44 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.775 70.0 55.4 -57.7 -26.2 7.7 27.9 69.2 201 23 D Q H > S+ 0 0 165 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.912 110.5 42.2 -74.0 -43.6 6.1 27.8 72.7 202 24 D E H > S+ 0 0 22 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.833 110.0 57.4 -71.9 -34.3 7.7 24.5 73.7 203 25 D A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.753 106.4 52.1 -67.9 -23.2 11.0 25.5 72.2 204 26 D A H X S+ 0 0 40 -4,-0.7 4,-3.0 -5,-0.2 5,-0.2 0.871 104.9 52.5 -80.8 -39.2 11.0 28.5 74.5 205 27 D S H X S+ 0 0 37 -4,-1.4 4,-1.8 2,-0.2 -40,-0.2 0.937 115.8 42.8 -59.9 -45.0 10.4 26.5 77.6 206 28 D I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.968 113.7 50.1 -64.8 -54.1 13.4 24.4 76.7 207 29 D A H X S+ 0 0 2 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.898 110.0 51.1 -52.2 -46.3 15.5 27.3 75.6 208 30 D D H < S+ 0 0 70 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.910 111.7 47.0 -61.4 -41.9 14.8 29.2 78.8 209 31 D W H >< S+ 0 0 8 -4,-1.8 3,-1.3 -5,-0.2 4,-0.5 0.914 111.1 50.7 -66.5 -41.8 15.8 26.2 81.0 210 32 D L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.745 91.1 82.9 -67.1 -19.9 18.9 25.7 79.0 211 33 D A T 3< S+ 0 0 53 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.784 82.4 61.8 -53.7 -30.8 19.7 29.4 79.5 212 34 D Q S < S+ 0 0 79 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.987 86.5 75.6 -60.9 -62.2 21.2 28.5 82.9 213 35 D E S S- 0 0 53 -4,-0.5 4,-0.2 1,-0.2 0, 0.0 -0.272 70.2-154.5 -50.6 129.9 24.0 26.3 81.7 214 36 D E S > S+ 0 0 178 2,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.671 91.1 63.3 -84.2 -16.1 26.7 28.5 80.3 215 37 D C T 3 S+ 0 0 102 1,-0.2 -1,-0.2 3,-0.0 4,-0.1 0.968 97.1 54.6 -66.8 -51.9 27.9 25.7 78.1 216 38 D M T >> S+ 0 0 15 -6,-0.2 3,-3.0 2,-0.1 2,-1.7 0.535 74.5 125.9 -59.4 -9.5 24.7 25.5 76.2 217 39 D A T <4 S+ 0 0 61 -3,-0.5 -1,-0.1 1,-0.3 -3,-0.1 -0.321 76.7 32.0 -59.2 86.1 24.9 29.3 75.3 218 40 D E T 3> S+ 0 0 29 -2,-1.7 4,-2.1 -104,-0.0 -1,-0.3 -0.083 106.6 68.7 154.9 -32.3 24.6 29.0 71.5 219 41 D C H <> S+ 0 0 17 -3,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.919 105.6 44.7 -70.2 -44.9 22.3 26.0 71.4 220 42 D V H X S+ 0 0 8 -4,-1.5 4,-3.0 1,-0.2 5,-0.2 0.849 109.3 57.7 -65.3 -34.4 19.7 28.3 72.9 221 43 D T H > S+ 0 0 48 -5,-0.4 4,-2.9 2,-0.2 5,-0.2 0.932 110.4 41.9 -62.0 -45.5 20.9 30.9 70.4 222 44 D L H X S+ 0 0 16 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.884 113.8 51.8 -69.9 -38.9 20.1 28.6 67.5 223 45 D I H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.938 115.7 43.4 -61.4 -44.2 16.9 27.4 69.0 224 46 D R H X S+ 0 0 104 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.922 113.8 46.7 -67.2 -48.1 15.9 31.0 69.5 225 47 D L H X S+ 0 0 48 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.902 113.5 51.4 -62.0 -40.9 17.0 32.3 66.1 226 48 D S H X S+ 0 0 12 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.909 109.6 49.4 -62.9 -43.3 15.2 29.3 64.4 227 49 D S H X S+ 0 0 21 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.918 110.3 49.9 -63.3 -44.3 12.0 30.0 66.3 228 50 D L H < S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 110.2 52.3 -63.0 -35.7 12.0 33.7 65.3 229 51 D M H < S+ 0 0 82 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.931 109.4 46.0 -68.2 -47.3 12.6 32.8 61.7 230 52 D N H < 0 0 72 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.848 360.0 360.0 -64.4 -33.6 9.7 30.3 61.4 231 53 D Q < 0 0 97 -4,-1.8 -3,-0.0 -5,-0.2 -36,-0.0 -0.085 360.0 360.0 -68.2 360.0 7.4 32.8 63.2