==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 24-MAY-07 2Q1K . COMPND 2 MOLECULE: ASCE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR Y.W.TAN,H.B.YU,K.Y.LEUNG,J.SIVARAMAN,Y.K.MOK . 208 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 85.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 76.9 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 4 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 14 A P 0 0 134 0, 0.0 4,-0.5 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0-162.7 -17.9 26.5 43.8 2 15 A V > + 0 0 34 2,-0.1 4,-0.7 3,-0.1 5,-0.0 0.346 360.0 73.6 -98.2 0.9 -14.2 25.9 44.4 3 16 A F H >> S+ 0 0 12 2,-0.2 4,-2.7 3,-0.1 3,-0.6 0.960 94.3 43.3 -77.0 -60.5 -13.6 28.6 41.8 4 17 A A H 3> S+ 0 0 4 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.892 112.6 56.8 -54.8 -40.5 -14.5 31.7 43.7 5 18 A R H 3> S+ 0 0 152 -4,-0.5 4,-1.5 1,-0.2 -1,-0.3 0.868 110.8 43.8 -59.1 -35.6 -12.5 30.1 46.6 6 19 A E H X S+ 0 0 110 -4,-2.5 3,-2.2 -5,-0.3 4,-0.5 0.961 107.4 54.4 -63.5 -46.0 4.0 44.7 52.0 21 34 A R H >< S+ 0 0 27 -4,-2.4 3,-1.4 1,-0.3 4,-0.2 0.874 100.9 59.9 -52.8 -41.1 4.5 47.7 49.9 22 35 A L T 3< S+ 0 0 45 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.604 93.8 65.7 -66.0 -11.7 2.9 49.9 52.5 23 36 A L T <4 S+ 0 0 154 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.677 94.5 58.2 -82.3 -19.8 5.6 48.9 55.0 24 37 A R S << S- 0 0 144 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.449 99.9-151.3 -87.4 -3.5 8.3 50.6 53.0 25 38 A G + 0 0 18 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.2 0.166 24.9 171.7 61.7-178.6 6.5 53.9 53.3 26 39 A G - 0 0 35 -4,-0.1 -1,-0.0 4,-0.0 -4,-0.0 -0.979 43.1 -34.9 164.1-164.2 6.5 56.9 51.0 27 40 A T > - 0 0 76 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.201 60.4-104.4 -75.3 173.7 4.7 60.2 50.4 28 41 A Q H > S+ 0 0 158 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.771 125.2 61.8 -67.8 -23.9 1.0 60.7 51.2 29 42 A Q H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.983 105.0 42.3 -62.5 -58.7 0.8 60.6 47.4 30 43 A Q H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.869 112.0 55.4 -58.6 -40.3 2.1 57.0 47.2 31 44 A Y H X S+ 0 0 65 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.938 109.9 44.6 -60.1 -48.9 0.1 55.9 50.2 32 45 A Q H X S+ 0 0 107 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.925 111.2 54.1 -62.1 -45.3 -3.2 57.0 48.7 33 46 A Q H X S+ 0 0 47 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.916 113.9 42.3 -55.2 -43.5 -2.3 55.5 45.3 34 47 A W H X S+ 0 0 8 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.785 111.4 53.6 -75.1 -28.7 -1.6 52.1 47.0 35 48 A Q H X S+ 0 0 95 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.853 107.2 53.7 -72.3 -30.6 -4.7 52.4 49.2 36 49 A Q H X S+ 0 0 93 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.885 108.3 48.9 -68.3 -36.8 -6.6 53.0 45.9 37 50 A E H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.925 110.0 52.3 -67.1 -41.8 -5.1 49.7 44.6 38 51 A A H X S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.874 106.7 52.9 -62.1 -37.3 -6.1 48.0 47.8 39 52 A D H X S+ 0 0 94 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.937 106.9 51.8 -64.6 -45.9 -9.6 49.3 47.4 40 53 A A H X S+ 0 0 12 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.936 112.6 45.6 -55.1 -48.5 -9.9 47.9 43.9 41 54 A I H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.913 112.9 49.8 -63.4 -41.6 -8.7 44.5 45.1 42 55 A E H X S+ 0 0 78 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.874 107.5 54.5 -64.6 -36.5 -11.0 44.6 48.1 43 56 A A H X S+ 0 0 39 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.912 107.3 51.7 -62.0 -41.1 -13.9 45.5 45.7 44 57 A G H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.938 108.7 49.8 -60.2 -45.5 -12.9 42.4 43.8 45 58 A X H X S+ 0 0 25 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.906 110.0 52.4 -61.0 -39.6 -13.1 40.3 46.9 46 59 A N H X S+ 0 0 96 -4,-2.5 4,-2.3 2,-0.2 3,-0.3 0.955 110.4 45.3 -62.0 -51.7 -16.5 41.8 47.7 47 60 A I H X S+ 0 0 29 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.946 114.1 49.5 -56.6 -49.6 -18.0 41.0 44.3 48 61 A I H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.789 112.4 48.0 -61.3 -28.8 -16.6 37.4 44.4 49 62 A E H < S+ 0 0 90 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.815 111.4 50.1 -82.0 -30.8 -18.0 36.9 47.9 50 63 A K H < S+ 0 0 170 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.439 108.0 53.9 -85.9 -0.5 -21.4 38.2 46.9 51 64 A I H < 0 0 41 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.2 0.826 360.0 360.0 -93.1 -47.0 -21.5 35.9 43.9 52 65 A K < 0 0 117 -4,-1.3 -3,-0.0 -5,-0.2 0, 0.0 0.026 360.0 360.0 -58.7 360.0 -20.8 32.8 46.0 53 !* 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 54 14 B P 0 0 130 0, 0.0 4,-0.4 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0-162.6 10.0 49.2 40.9 55 15 B V > + 0 0 42 2,-0.1 4,-0.7 3,-0.1 5,-0.0 0.335 360.0 74.2 -98.9 2.0 9.9 45.4 40.5 56 16 B F H >> S+ 0 0 14 2,-0.2 4,-2.4 3,-0.1 3,-0.6 0.961 94.1 42.8 -77.8 -61.3 7.0 45.5 42.9 57 17 B A H 3> S+ 0 0 2 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.866 112.6 57.7 -54.6 -36.9 4.2 46.9 40.7 58 18 B R H 3> S+ 0 0 73 -4,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.876 109.9 44.2 -62.2 -34.7 5.6 44.5 38.1 59 19 B E H X S+ 0 0 45 -4,-2.4 3,-2.6 -5,-0.3 4,-0.6 0.966 107.4 55.1 -63.9 -47.7 -11.5 30.9 32.0 74 34 B R H >< S+ 0 0 32 -4,-2.5 3,-1.3 1,-0.3 4,-0.2 0.852 100.8 60.3 -51.5 -37.9 -14.7 31.1 34.0 75 35 B L T 3< S+ 0 0 47 -4,-2.1 3,-0.3 1,-0.2 -1,-0.3 0.584 93.7 64.3 -69.7 -9.8 -16.3 32.9 31.1 76 36 B L T <4 S+ 0 0 155 -3,-2.6 -1,-0.2 -4,-0.4 -2,-0.2 0.644 94.6 59.5 -85.9 -17.2 -15.7 30.0 28.7 77 37 B R S << S- 0 0 125 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.475 99.6-149.9 -88.1 -4.8 -18.1 27.8 30.7 78 38 B G + 0 0 19 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.1 0.182 25.4 172.1 62.2 177.3 -21.0 30.1 30.2 79 39 B G - 0 0 35 -4,-0.1 -1,-0.0 4,-0.0 -4,-0.0 -0.968 42.7 -36.9 168.1-164.5 -24.0 30.9 32.3 80 40 B T > - 0 0 77 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.239 60.0-104.1 -76.6 171.8 -27.0 33.2 32.5 81 41 B Q H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.772 125.4 61.4 -65.3 -23.2 -26.7 36.9 31.5 82 42 B Q H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.977 105.2 41.9 -63.8 -58.4 -26.7 37.3 35.2 83 43 B Q H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 112.3 55.6 -59.6 -40.6 -23.5 35.3 35.8 84 44 B Y H X S+ 0 0 63 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.953 109.6 45.1 -58.7 -51.3 -21.8 36.9 32.8 85 45 B Q H X S+ 0 0 107 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.916 111.3 53.4 -59.7 -45.0 -22.4 40.4 34.1 86 46 B Q H X S+ 0 0 52 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.935 113.5 43.1 -56.8 -44.0 -21.3 39.4 37.6 87 47 B W H X S+ 0 0 12 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.807 111.2 53.5 -73.0 -28.4 -18.1 38.0 36.2 88 48 B Q H X S+ 0 0 90 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.865 107.3 53.5 -72.0 -31.7 -17.6 41.0 34.0 89 49 B Q H X S+ 0 0 87 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.905 108.5 48.6 -66.9 -39.8 -17.9 43.1 37.1 90 50 B E H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.935 110.5 51.6 -64.1 -44.6 -15.2 41.1 38.8 91 51 B A H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.867 107.5 52.7 -59.7 -37.6 -13.1 41.5 35.7 92 52 B D H X S+ 0 0 92 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.921 107.1 52.5 -64.5 -43.8 -13.6 45.3 35.8 93 53 B A H X S+ 0 0 13 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.946 112.3 44.5 -57.0 -50.3 -12.5 45.4 39.4 94 54 B I H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.895 112.8 51.5 -62.2 -40.6 -9.3 43.6 38.6 95 55 B E H X S+ 0 0 80 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.888 106.8 53.7 -65.2 -36.5 -8.7 45.8 35.5 96 56 B A H X S+ 0 0 41 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.901 107.4 52.8 -61.1 -39.3 -9.2 48.8 37.7 97 57 B G H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.922 108.3 48.9 -61.2 -45.1 -6.5 47.3 39.8 98 58 B X H X S+ 0 0 24 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.890 110.3 52.3 -63.2 -38.6 -4.2 47.0 36.8 99 59 B N H X S+ 0 0 97 -4,-2.5 4,-2.3 2,-0.2 3,-0.3 0.955 110.4 45.4 -63.2 -51.5 -4.9 50.6 35.8 100 60 B I H X S+ 0 0 23 -4,-2.6 4,-0.8 1,-0.2 3,-0.3 0.963 114.0 49.8 -56.5 -51.5 -4.1 52.1 39.2 101 61 B I H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.3 -1,-0.2 0.780 112.2 48.2 -59.4 -28.1 -0.9 50.0 39.4 102 62 B E H < S+ 0 0 91 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.817 111.3 50.0 -81.7 -30.7 0.1 51.0 35.9 103 63 B K H < S+ 0 0 168 -4,-2.3 -2,-0.2 -3,-0.3 -1,-0.2 0.459 107.5 54.6 -85.7 -1.8 -0.5 54.7 36.7 104 64 B I H < 0 0 34 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.837 360.0 360.0 -91.3 -45.9 1.5 54.5 39.9 105 65 B K < 0 0 116 -4,-1.2 -3,-0.0 -5,-0.2 0, 0.0 0.018 360.0 360.0 -60.8 360.0 4.6 53.1 38.0 106 !* 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 0.0 107 14 C P > 0 0 115 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -66.0 18.7 40.0 39.9 108 15 C V H > + 0 0 72 2,-0.2 4,-0.8 1,-0.1 3,-0.1 0.908 360.0 43.3 -82.2 -47.4 15.6 41.6 38.4 109 16 C F H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.606 110.7 61.6 -73.5 -12.5 14.1 38.6 36.7 110 17 C A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.867 101.4 46.1 -82.1 -43.1 14.9 36.5 39.8 111 18 C R H X S+ 0 0 127 -4,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.772 117.4 51.1 -69.9 -21.4 12.8 38.4 42.4 112 19 C E H X S+ 0 0 3 -4,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.971 111.4 41.7 -76.1 -61.0 10.1 38.1 39.7 113 20 C L H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-1.0 0.958 111.8 57.2 -52.0 -55.1 10.3 34.4 39.0 114 21 C H H 3X S+ 0 0 65 -4,-2.1 4,-2.9 1,-0.3 -1,-0.2 0.864 106.4 47.5 -43.4 -52.1 10.6 33.5 42.7 115 22 C A H 3X S+ 0 0 29 -4,-1.1 4,-1.5 1,-0.2 -1,-0.3 0.810 110.4 53.8 -61.9 -32.3 7.4 35.3 43.6 116 23 C Q H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 3,-1.2 0.963 104.9 52.8 -61.9 -51.2 2.6 28.1 42.3 121 28 C L H 3X S+ 0 0 26 -4,-2.7 4,-3.8 1,-0.3 -1,-0.2 0.883 105.7 56.1 -48.7 -42.1 3.4 26.2 45.6 122 29 C G H 3X S+ 0 0 13 -4,-1.5 4,-2.3 2,-0.2 -1,-0.3 0.804 104.0 52.2 -62.9 -30.5 0.3 27.9 47.1 123 30 C D H < S+ 0 0 56 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.847 108.1 56.6 -62.2 -35.8 -4.4 24.5 48.5 127 34 C R H >< S+ 0 0 35 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.904 100.7 60.1 -61.7 -39.0 -5.1 21.6 46.2 128 35 C L H >< S+ 0 0 48 -4,-1.9 3,-1.2 -3,-0.3 -1,-0.2 0.638 90.3 68.2 -62.8 -20.7 -3.7 19.3 48.9 129 36 C L T << S+ 0 0 139 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.640 91.2 64.2 -73.5 -16.0 -6.4 20.3 51.5 130 37 C R T < S- 0 0 147 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.333 99.2-148.4 -88.8 4.7 -9.0 18.7 49.3 131 38 C G < + 0 0 22 -3,-1.2 2,-0.3 1,-0.1 -1,-0.2 0.110 25.9 170.3 57.5-172.8 -7.4 15.2 49.9 132 39 C G - 0 0 41 -4,-0.1 2,-0.1 4,-0.0 -1,-0.1 -0.953 42.3 -42.5 156.1-168.2 -7.3 12.3 47.5 133 40 C T > - 0 0 75 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.441 57.2-103.4 -85.7 163.0 -5.6 8.9 47.3 134 41 C Q H > S+ 0 0 158 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.906 125.2 64.4 -49.1 -38.7 -1.9 8.2 48.1 135 42 C Q H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.935 106.3 39.7 -45.0 -59.5 -1.7 8.2 44.3 136 43 C Q H > S+ 0 0 70 -3,-0.5 4,-3.0 2,-0.2 5,-0.3 0.853 110.4 56.3 -64.7 -41.8 -2.7 11.9 44.2 137 44 C Y H X S+ 0 0 82 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.965 111.4 46.1 -55.7 -50.4 -0.7 13.1 47.2 138 45 C Q H X S+ 0 0 113 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.921 111.6 50.7 -58.5 -46.8 2.4 11.7 45.6 139 46 C Q H X S+ 0 0 28 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.961 115.7 41.5 -58.1 -50.5 1.6 13.2 42.2 140 47 C W H X S+ 0 0 8 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.861 109.7 57.9 -66.9 -34.8 1.0 16.6 43.7 141 48 C Q H X S+ 0 0 99 -4,-3.2 4,-2.7 -5,-0.3 5,-0.2 0.960 105.1 51.6 -59.9 -43.4 4.0 16.3 46.0 142 49 C Q H X S+ 0 0 104 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.865 105.6 56.3 -60.0 -32.2 6.1 15.8 42.8 143 50 C E H >X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 3,-0.7 0.967 108.8 45.9 -61.8 -49.1 4.5 19.0 41.5 144 51 C A H 3X S+ 0 0 13 -4,-2.5 4,-2.8 1,-0.3 -2,-0.2 0.858 108.5 55.8 -63.2 -34.2 5.8 20.8 44.6 145 52 C D H 3X S+ 0 0 92 -4,-2.7 4,-1.9 2,-0.2 -1,-0.3 0.802 107.7 50.6 -68.5 -25.0 9.2 19.2 44.2 146 53 C A H X S+ 0 0 45 -4,-1.9 4,-2.0 1,-0.2 3,-0.6 0.979 108.8 55.6 -56.9 -48.9 13.7 22.7 42.5 150 57 C G H 3X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.817 106.8 48.9 -50.1 -35.6 12.8 25.7 40.4 151 58 C X H 3X S+ 0 0 31 -4,-1.5 4,-2.2 -3,-0.2 -1,-0.3 0.854 105.7 58.8 -74.8 -31.7 13.2 27.9 43.5 152 59 C N H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.2 3,-1.0 0.989 109.6 49.3 -55.1 -61.7 16.7 30.9 41.3 155 62 C E H 3< S+ 0 0 128 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.921 112.2 47.0 -36.9 -68.5 18.5 31.1 44.6 156 63 C K H 3< S+ 0 0 111 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.774 114.8 50.9 -46.9 -33.3 21.8 29.7 43.1 157 64 C I H << 0 0 27 -4,-2.0 -2,-0.2 -3,-1.0 -1,-0.2 0.943 360.0 360.0 -73.2 -53.9 21.3 32.2 40.2 158 65 C K < 0 0 121 -4,-2.6 -50,-0.0 -5,-0.1 0, 0.0 -0.090 360.0 360.0 -79.1 360.0 20.8 35.5 42.1 159 !* 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 0.0 160 14 D P > 0 0 127 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -28.6 -10.1 21.4 37.9 161 15 D V H > + 0 0 9 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 360.0 52.9 -54.2 -50.2 -9.4 25.0 39.1 162 16 D F H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.940 113.7 37.9 -53.3 -60.8 -6.2 24.0 40.8 163 17 D A H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 119.3 49.5 -60.9 -40.9 -4.5 22.2 37.9 164 18 D R H X S+ 0 0 34 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.782 114.8 44.7 -68.7 -29.5 -5.8 24.7 35.4 165 19 D E H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.795 111.1 53.4 -85.6 -31.8 -4.5 27.6 37.6 166 20 D L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.906 106.9 51.5 -68.5 -43.1 -1.2 25.9 38.3 167 21 D H H X S+ 0 0 58 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.948 110.9 49.0 -59.3 -46.2 -0.5 25.5 34.6 168 22 D A H X S+ 0 0 13 -4,-1.1 4,-1.8 2,-0.2 5,-0.2 0.897 111.5 48.4 -59.5 -44.1 -1.3 29.2 34.0 169 23 D Q H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 3,-0.4 0.951 113.3 47.7 -61.1 -50.2 1.0 30.3 36.9 170 24 D L H X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.875 109.1 54.8 -60.1 -38.1 3.7 28.0 35.5 171 25 D V H X S+ 0 0 51 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.819 109.5 45.0 -68.0 -30.7 3.2 29.4 32.0 172 26 D Q H X S+ 0 0 70 -4,-1.8 4,-2.3 -3,-0.4 -1,-0.2 0.785 108.3 60.5 -79.4 -26.8 3.7 33.0 33.2 173 27 D A H X S+ 0 0 1 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.910 106.7 44.0 -64.2 -38.7 6.6 31.6 35.1 174 28 D L H X S+ 0 0 28 -4,-1.8 4,-3.7 2,-0.2 5,-0.2 0.803 106.0 64.0 -71.4 -31.8 8.1 30.5 31.7 175 29 D G H X S+ 0 0 14 -4,-1.2 4,-1.9 2,-0.2 5,-0.2 0.974 102.2 47.9 -55.4 -53.9 7.1 33.9 30.3 176 30 D D H X S+ 0 0 7 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.903 113.9 46.0 -54.8 -46.0 9.5 35.5 32.8 177 31 D V H X S+ 0 0 1 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.912 112.2 51.6 -63.4 -43.1 12.3 33.1 31.8 178 32 D K H < S+ 0 0 126 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.771 109.5 50.8 -64.7 -24.3 11.5 33.7 28.1 179 33 D R H >< S+ 0 0 98 -4,-1.9 3,-0.6 -5,-0.2 -1,-0.2 0.807 108.2 53.6 -80.6 -31.9 11.7 37.4 28.7 180 34 D R H >< S+ 0 0 19 -4,-1.6 3,-2.5 -5,-0.2 -2,-0.2 0.933 98.0 60.9 -68.6 -47.5 15.1 37.0 30.3 181 35 D L T 3< S+ 0 0 49 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.628 96.5 64.5 -58.5 -12.1 16.8 35.1 27.5 182 36 D L T < S+ 0 0 152 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.402 92.5 64.3 -89.9 0.1 16.1 38.1 25.2 183 37 D R S < S- 0 0 169 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.1 0.262 100.8-116.5-111.0 12.4 18.4 40.4 27.3 184 38 D G + 0 0 39 -3,-0.5 2,-0.3 -4,-0.1 -2,-0.1 0.535 43.0 153.1 68.0 143.3 21.8 38.8 26.8 185 39 D G - 0 0 32 -4,-0.1 -1,-0.1 3,-0.0 2,-0.0 -0.938 44.4 -61.3 178.7-177.9 24.3 37.2 29.2 186 40 D T > - 0 0 80 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.239 51.0-100.4 -80.6 169.8 27.2 34.6 29.3 187 41 D Q H > S+ 0 0 163 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.854 125.9 56.7 -56.2 -34.1 27.0 30.9 28.5 188 42 D Q H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.957 107.0 44.1 -61.4 -56.6 26.9 30.5 32.3 189 43 D Q H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.849 114.1 51.7 -59.5 -38.9 23.8 32.7 32.8 190 44 D Y H X S+ 0 0 61 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.814 106.5 52.8 -69.1 -33.7 22.0 31.1 29.9 191 45 D Q H X S+ 0 0 122 -4,-1.8 4,-2.5 -3,-0.2 3,-0.4 0.968 109.2 49.8 -66.7 -50.0 22.6 27.6 31.1 192 46 D Q H X S+ 0 0 30 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.899 111.8 47.6 -54.0 -45.7 21.1 28.5 34.5 193 47 D W H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.778 111.6 50.1 -68.7 -27.5 18.0 30.0 33.0 194 48 D Q H X S+ 0 0 91 -4,-1.5 4,-1.8 -3,-0.4 -1,-0.2 0.846 109.6 51.7 -75.9 -34.0 17.6 27.0 30.7 195 49 D Q H X S+ 0 0 73 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.933 110.6 50.0 -63.8 -44.0 17.9 24.8 33.8 196 50 D E H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.5 0.941 107.9 50.8 -58.3 -53.0 15.2 27.0 35.3 197 51 D A H X S+ 0 0 8 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.834 106.6 58.1 -56.0 -33.3 12.9 26.7 32.4 198 52 D D H X S+ 0 0 96 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.894 103.6 48.9 -67.8 -38.8 13.4 22.9 32.6 199 53 D A H >X S+ 0 0 12 -4,-1.6 4,-3.0 -3,-0.5 3,-0.9 0.990 111.6 50.0 -61.6 -55.2 12.1 22.7 36.2 200 54 D I H 3X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.815 111.8 50.2 -50.3 -31.9 9.1 24.8 35.2 201 55 D E H 3X S+ 0 0 82 -4,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.797 106.6 51.7 -78.4 -30.5 8.7 22.3 32.3 202 56 D A H X S+ 0 0 114 -4,-2.1 4,-2.0 1,-0.2 3,-1.2 0.953 107.0 45.4 -62.6 -49.0 4.7 17.8 32.5 206 60 D I H 3X S+ 0 0 27 -4,-2.2 4,-2.0 1,-0.3 -2,-0.2 0.926 104.7 60.5 -61.6 -45.5 3.3 16.5 35.8 207 61 D I H 3X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -1,-0.3 0.632 108.9 47.1 -57.2 -13.6 0.2 18.7 35.8 208 62 D E H <4 S+ 0 0 99 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.889 106.8 53.3 -89.4 -54.6 -0.7 17.0 32.5 209 63 D K H < S+ 0 0 160 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.763 112.8 50.1 -49.5 -26.8 -0.0 13.5 33.8 210 64 D I H < 0 0 41 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.983 360.0 360.0 -75.3 -63.9 -2.4 14.5 36.5 211 65 D K < 0 0 145 -4,-1.3 -3,-0.0 -5,-0.1 0, 0.0 0.166 360.0 360.0 -60.7 360.0 -5.2 15.9 34.4