==== 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 25-MAR-03 1OUV . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL SECRETED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR P.R.MITTL,L.LUETHY . 265 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 80.0 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 . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 4.9 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 1 0 0 1 1 12 0 0 0 0 0 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 28 A D > 0 0 119 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -50.3 80.6 -9.1 34.4 2 29 A P H > + 0 0 42 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.891 360.0 48.7 -57.4 -39.3 78.9 -5.6 34.0 3 30 A K H > S+ 0 0 141 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.909 111.9 49.3 -65.8 -41.8 78.5 -6.4 30.3 4 31 A E H > S+ 0 0 120 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.845 106.0 57.2 -65.3 -35.9 77.0 -9.8 31.2 5 32 A L H X S+ 0 0 19 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.903 105.0 50.8 -62.9 -41.1 74.7 -8.2 33.7 6 33 A V H X S+ 0 0 13 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.877 108.8 52.6 -65.0 -36.2 73.2 -6.0 31.0 7 34 A G H X S+ 0 0 42 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.919 108.8 48.6 -64.8 -43.7 72.7 -9.1 28.8 8 35 A L H X S+ 0 0 64 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.908 111.8 50.7 -62.8 -40.1 70.8 -10.8 31.6 9 36 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.913 108.4 51.3 -63.9 -41.3 68.7 -7.7 32.1 10 37 A A H X S+ 0 0 41 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.868 109.8 50.8 -63.2 -36.1 67.9 -7.6 28.4 11 38 A K H X S+ 0 0 117 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.928 110.8 47.0 -68.1 -45.3 66.8 -11.2 28.5 12 39 A S H <>S+ 0 0 8 -4,-2.4 5,-3.0 1,-0.2 4,-0.2 0.899 109.7 56.3 -63.3 -37.3 64.6 -10.6 31.5 13 40 A Y H ><5S+ 0 0 75 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.921 104.2 51.3 -60.2 -46.1 63.2 -7.6 29.7 14 41 A K H 3<5S+ 0 0 168 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 108.4 51.6 -61.1 -32.5 62.2 -9.6 26.6 15 42 A E T 3<5S- 0 0 115 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.466 118.2-117.4 -81.0 -0.9 60.3 -12.1 28.9 16 43 A K T < 5S+ 0 0 147 -3,-1.7 2,-1.5 -4,-0.2 -3,-0.2 0.727 71.4 140.9 68.2 24.2 58.6 -9.0 30.4 17 44 A D >< + 0 0 69 -5,-3.0 4,-2.2 1,-0.2 -1,-0.2 -0.667 18.9 164.9 -93.1 75.3 60.2 -9.8 33.8 18 45 A F H > + 0 0 48 -2,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.800 65.1 62.0 -64.6 -32.2 60.7 -6.1 34.3 19 46 A T H > S+ 0 0 81 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.952 111.0 37.1 -60.7 -51.2 61.4 -6.6 38.0 20 47 A Q H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.885 113.4 58.2 -69.6 -37.7 64.4 -8.7 37.4 21 48 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.918 105.6 50.5 -57.6 -42.8 65.4 -6.6 34.4 22 49 A K H X S+ 0 0 38 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.916 108.3 52.1 -61.6 -42.9 65.6 -3.6 36.7 23 50 A K H X S+ 0 0 103 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.912 111.8 46.1 -60.4 -43.2 67.8 -5.4 39.2 24 51 A Y H X S+ 0 0 53 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.920 114.1 47.4 -66.1 -44.0 70.2 -6.4 36.5 25 52 A F H X S+ 0 0 6 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.840 110.1 53.3 -65.9 -35.7 70.3 -2.9 35.0 26 53 A E H X S+ 0 0 63 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.957 111.2 46.2 -63.3 -49.2 70.8 -1.3 38.5 27 54 A K H X S+ 0 0 114 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.883 114.8 47.0 -60.4 -41.7 73.8 -3.6 39.2 28 55 A A H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-0.4 0.922 112.3 48.8 -68.0 -43.7 75.3 -2.9 35.7 29 56 A a H ><5S+ 0 0 10 -4,-2.8 3,-1.5 7,-0.3 -2,-0.2 0.840 107.7 55.2 -65.5 -32.4 74.8 0.9 36.1 30 57 A D H 3<5S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 106.2 52.9 -68.4 -26.6 76.3 0.8 39.5 31 58 A L T 3<5S- 0 0 91 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.091 124.8-107.2 -93.5 20.0 79.3 -0.9 37.8 32 59 A K T < 5 + 0 0 161 -3,-1.5 2,-1.0 1,-0.2 -3,-0.2 0.777 64.2 155.4 60.3 33.7 79.4 2.0 35.3 33 60 A E >>< - 0 0 14 -5,-2.3 4,-1.6 1,-0.2 3,-1.4 -0.804 33.1-154.4 -89.9 103.4 78.1 0.0 32.3 34 61 A N H 3> S+ 0 0 38 -2,-1.0 4,-2.2 1,-0.3 -1,-0.2 0.808 90.9 51.1 -50.5 -38.8 76.7 2.9 30.3 35 62 A S H 3> S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.773 106.4 58.1 -72.0 -23.4 74.0 0.8 28.4 36 63 A G H <> S+ 0 0 0 -3,-1.4 4,-1.8 2,-0.2 -7,-0.3 0.921 107.6 44.5 -70.4 -44.0 72.9 -0.4 31.8 37 64 A a H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.925 113.0 52.5 -65.0 -43.9 72.2 3.1 33.1 38 65 A F H X S+ 0 0 21 -4,-2.2 4,-1.9 1,-0.2 3,-0.3 0.959 110.1 46.8 -55.7 -54.0 70.5 3.9 29.8 39 66 A N H X S+ 0 0 40 -4,-2.5 4,-1.8 1,-0.3 -1,-0.2 0.850 108.9 55.4 -58.7 -35.2 68.2 0.9 30.0 40 67 A L H X S+ 0 0 3 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.910 106.4 51.7 -64.2 -38.0 67.4 1.7 33.6 41 68 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 -3,-0.3 -2,-0.2 0.880 105.1 55.7 -64.2 -38.5 66.3 5.1 32.4 42 69 A V H X S+ 0 0 29 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.894 104.1 54.4 -60.2 -40.9 64.0 3.5 29.8 43 70 A L H X>S+ 0 0 2 -4,-1.8 5,-2.3 1,-0.2 4,-1.3 0.902 110.5 44.4 -62.1 -42.3 62.3 1.5 32.6 44 71 A Y H <5S+ 0 0 25 -4,-1.6 9,-2.2 2,-0.2 -1,-0.2 0.874 112.8 53.3 -68.9 -35.7 61.5 4.7 34.6 45 72 A Y H <5S+ 0 0 66 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 119.4 33.4 -65.3 -38.8 60.4 6.4 31.4 46 73 A Q H <5S- 0 0 99 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.509 105.5-121.8 -96.3 -7.9 58.0 3.5 30.5 47 74 A G T <5 + 0 0 29 -4,-1.3 2,-0.7 4,-0.2 5,-0.2 0.902 58.6 152.2 67.5 39.6 57.0 2.6 34.1 48 75 A Q S - 0 0 55 -9,-2.2 4,-1.8 -2,-0.1 3,-0.2 -0.721 22.9-169.6-160.8 101.8 58.9 8.9 36.6 54 81 A L H > S+ 0 0 29 1,-0.2 4,-1.9 -2,-0.2 -9,-0.1 0.661 87.3 61.5 -73.2 -16.5 60.5 10.8 33.7 55 82 A K H > S+ 0 0 153 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 108.0 43.6 -73.3 -41.5 62.6 12.9 36.0 56 83 A K H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.887 110.6 56.3 -67.6 -38.0 64.3 9.8 37.3 57 84 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.2 0.931 106.1 51.5 -57.7 -44.4 64.5 8.5 33.7 58 85 A A H X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.891 105.0 55.0 -61.2 -40.6 66.4 11.8 32.8 59 86 A S H X S+ 0 0 56 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.873 110.5 46.3 -63.2 -34.1 68.8 11.3 35.7 60 87 A F H X S+ 0 0 26 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.823 110.3 51.4 -78.0 -30.1 69.7 7.9 34.4 61 88 A Y H X S+ 0 0 8 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.892 109.6 52.8 -69.1 -37.1 70.0 9.1 30.8 62 89 A A H X S+ 0 0 22 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.872 108.5 49.2 -64.1 -37.1 72.3 11.8 32.2 63 90 A K H X S+ 0 0 98 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.905 112.0 48.3 -68.9 -39.8 74.4 9.1 33.9 64 91 A A H <>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 3,-0.3 0.914 110.9 51.1 -65.8 -41.2 74.6 7.1 30.7 65 92 A b H ><5S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.895 106.8 53.0 -64.6 -37.3 75.6 10.3 28.8 66 93 A D H 3<5S+ 0 0 107 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.810 107.4 52.8 -65.3 -27.5 78.4 11.0 31.4 67 94 A L T 3<5S- 0 0 54 -4,-1.3 -1,-0.3 -3,-0.3 -33,-0.2 0.121 126.9-107.4 -91.0 17.0 79.6 7.5 30.6 68 95 A N T < 5 + 0 0 93 -3,-1.8 2,-1.1 1,-0.2 -3,-0.2 0.810 64.5 154.0 60.9 40.3 79.5 8.4 26.9 69 96 A Y >>< - 0 0 68 -5,-2.1 3,-2.0 1,-0.2 4,-1.4 -0.828 31.7-157.5 -96.9 97.2 76.5 6.5 25.7 70 97 A S H 3> S+ 0 0 27 -2,-1.1 4,-2.5 1,-0.3 -1,-0.2 0.814 89.1 57.2 -43.6 -44.2 75.6 8.8 22.8 71 98 A N H 3> S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.811 104.6 53.9 -60.6 -31.1 71.9 7.6 22.7 72 99 A G H <> S+ 0 0 0 -3,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.909 107.6 48.9 -71.0 -41.3 71.7 8.7 26.3 73 100 A b H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.934 111.5 51.6 -62.6 -44.1 72.9 12.2 25.5 74 101 A H H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.933 109.2 46.2 -61.7 -49.8 70.4 12.3 22.6 75 102 A L H X S+ 0 0 46 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.886 112.4 51.9 -61.8 -36.7 67.3 11.4 24.6 76 103 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.872 106.0 55.7 -65.4 -35.3 68.2 13.8 27.3 77 104 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.936 107.9 48.5 -60.4 -44.5 68.6 16.4 24.6 78 105 A N H X S+ 0 0 58 -4,-2.1 4,-2.2 2,-0.2 6,-0.3 0.868 108.9 53.4 -62.6 -39.2 65.0 15.6 23.6 79 106 A L H X>S+ 0 0 8 -4,-2.1 5,-2.3 1,-0.2 4,-2.1 0.949 113.1 41.5 -64.5 -48.1 63.8 15.9 27.2 80 107 A Y H <5S+ 0 0 41 -4,-2.4 9,-2.6 3,-0.2 -2,-0.2 0.871 112.3 56.3 -66.4 -36.3 65.3 19.4 27.7 81 108 A Y H <5S+ 0 0 77 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.950 120.9 27.8 -60.1 -48.9 64.1 20.5 24.3 82 109 A S H <5S- 0 0 84 -4,-2.2 6,-0.2 -5,-0.1 -1,-0.2 0.642 105.7-118.7 -88.9 -16.3 60.5 19.7 25.0 83 110 A G T <5 + 0 0 28 -4,-2.1 2,-0.5 4,-0.3 5,-0.3 0.889 58.8 156.6 76.9 38.6 60.5 20.1 28.7 84 111 A Q S - 0 0 50 -9,-2.6 4,-2.1 1,-0.1 5,-0.1 -0.691 22.1-171.2-160.5 99.8 65.9 24.4 28.6 90 117 A T H > S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.906 87.9 57.7 -61.1 -43.8 67.1 25.0 25.1 91 118 A N H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 110.6 42.7 -52.7 -50.2 70.7 25.7 26.2 92 119 A K H > S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.872 111.1 55.9 -66.6 -36.4 70.9 22.2 27.8 93 120 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.958 109.0 46.3 -60.4 -49.5 69.2 20.6 24.9 94 121 A L H X S+ 0 0 31 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.898 111.3 54.4 -58.6 -40.4 71.8 22.0 22.5 95 122 A Q H X S+ 0 0 99 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.951 112.9 40.6 -59.4 -51.7 74.5 20.9 24.8 96 123 A Y H X S+ 0 0 32 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.893 114.4 50.8 -68.5 -39.1 73.3 17.2 24.9 97 124 A Y H X S+ 0 0 7 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.927 109.8 53.7 -61.8 -41.8 72.5 17.0 21.2 98 125 A S H X S+ 0 0 35 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.897 109.1 45.8 -59.9 -43.2 76.0 18.4 20.6 99 126 A K H X S+ 0 0 62 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.912 111.1 53.3 -66.9 -40.1 77.7 15.7 22.7 100 127 A A H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 -2,-0.2 0.918 111.6 46.9 -59.0 -42.0 75.5 13.0 21.0 101 128 A c H ><5S+ 0 0 6 -4,-2.6 3,-1.9 3,-0.2 -2,-0.2 0.909 110.2 51.2 -66.5 -42.3 76.7 14.4 17.7 102 129 A D H 3<5S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.819 106.5 56.1 -63.8 -29.8 80.4 14.5 18.8 103 130 A L T 3<5S- 0 0 58 -4,-2.1 -1,-0.3 -5,-0.2 -33,-0.2 0.170 126.2-105.6 -86.3 15.2 79.9 10.9 19.9 104 131 A K T < 5 + 0 0 147 -3,-1.9 2,-1.0 1,-0.2 -3,-0.2 0.731 68.1 150.2 69.4 26.5 78.8 10.1 16.4 105 132 A Y >>< - 0 0 61 -5,-2.8 3,-1.8 1,-0.2 4,-1.2 -0.798 35.4-155.3 -92.8 101.7 75.1 9.7 17.0 106 133 A A H 3> S+ 0 0 18 -2,-1.0 4,-2.3 1,-0.3 3,-0.3 0.833 88.6 57.8 -41.2 -51.0 73.6 10.8 13.6 107 134 A E H 3> S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.791 101.9 56.2 -54.9 -32.7 70.3 11.8 15.0 108 135 A G H <> S+ 0 0 0 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.938 108.5 45.7 -66.7 -45.9 71.9 14.2 17.4 109 136 A c H X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.904 113.8 51.3 -62.0 -40.4 73.6 16.0 14.5 110 137 A A H X S+ 0 0 13 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.904 106.7 52.4 -63.8 -44.1 70.3 16.0 12.7 111 138 A S H X S+ 0 0 26 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.904 111.4 47.5 -59.9 -41.3 68.4 17.4 15.6 112 139 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.891 110.8 50.3 -68.2 -40.6 70.9 20.3 15.8 113 140 A G H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.893 110.9 50.7 -64.7 -37.0 70.7 21.0 12.1 114 141 A G H X S+ 0 0 18 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.830 109.1 51.1 -68.9 -33.1 66.9 21.0 12.3 115 142 A I H X S+ 0 0 12 -4,-1.6 4,-1.9 2,-0.2 5,-0.5 0.921 114.0 41.7 -70.2 -47.6 67.0 23.5 15.2 116 143 A Y H < S+ 0 0 30 -4,-2.2 9,-3.4 1,-0.2 13,-0.2 0.727 115.6 53.6 -72.9 -20.4 69.3 26.0 13.5 117 144 A H H < S+ 0 0 49 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.896 115.7 35.4 -79.9 -43.4 67.4 25.5 10.2 118 145 A D H < S- 0 0 87 -4,-2.1 6,-0.2 -5,-0.1 -2,-0.2 0.764 89.3-153.7 -82.2 -26.1 63.9 26.2 11.6 119 146 A G < + 0 0 25 -4,-1.9 5,-0.4 4,-0.2 -3,-0.1 0.880 50.0 129.7 54.3 44.7 65.1 28.9 14.0 120 147 A K S S+ 0 0 166 -5,-0.5 -1,-0.1 3,-0.1 -4,-0.1 0.844 82.5 21.2 -94.4 -42.0 62.3 28.4 16.4 121 148 A V S S+ 0 0 54 -6,-0.3 2,-0.3 2,-0.1 -5,-0.1 0.473 137.2 27.5-102.9 -7.7 64.1 28.0 19.7 122 149 A V S S- 0 0 31 -7,-0.4 2,-0.3 -32,-0.0 3,-0.1 -0.902 101.5 -77.6-143.0 169.6 67.2 29.8 18.3 123 150 A T - 0 0 129 -2,-0.3 -4,-0.2 1,-0.1 -3,-0.1 -0.583 61.8-100.4 -72.6 129.8 68.0 32.4 15.7 124 151 A R + 0 0 150 -5,-0.4 2,-0.2 -2,-0.3 -7,-0.2 -0.201 44.6 177.9 -52.4 139.6 67.9 30.7 12.3 125 152 A D > - 0 0 54 -9,-3.4 4,-2.5 -12,-0.1 3,-0.3 -0.690 15.2-178.8-149.4 87.9 71.4 29.8 11.0 126 153 A F H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.825 85.3 62.2 -57.9 -31.3 71.5 28.0 7.6 127 154 A K H > S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.957 109.3 38.4 -60.0 -51.4 75.3 27.9 7.9 128 155 A K H > S+ 0 0 80 -3,-0.3 4,-2.8 1,-0.2 5,-0.3 0.875 111.9 59.4 -67.8 -36.1 75.2 25.8 11.1 129 156 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -13,-0.2 -1,-0.2 0.900 107.2 47.2 -59.0 -39.7 72.3 23.9 9.6 130 157 A V H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.931 111.5 50.5 -67.2 -44.7 74.5 22.8 6.7 131 158 A E H X S+ 0 0 100 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.931 115.5 41.0 -59.7 -48.2 77.4 21.9 9.0 132 159 A Y H X S+ 0 0 43 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.879 115.3 49.7 -70.2 -38.9 75.3 19.7 11.3 133 160 A F H X S+ 0 0 4 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.815 107.3 56.7 -69.8 -26.6 73.3 18.1 8.4 134 161 A T H X S+ 0 0 38 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.911 110.0 44.6 -68.0 -39.9 76.6 17.4 6.7 135 162 A K H X S+ 0 0 93 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.908 113.2 50.4 -68.7 -42.4 77.7 15.5 9.8 136 163 A A H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.3 0.930 112.9 46.5 -61.1 -45.4 74.3 13.7 10.0 137 164 A d H ><5S+ 0 0 6 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.905 109.5 52.9 -65.6 -40.7 74.6 12.8 6.4 138 165 A D H 3<5S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.782 106.9 55.0 -64.5 -23.4 78.2 11.6 6.8 139 166 A L T 3<5S- 0 0 56 -4,-1.4 -1,-0.3 -3,-0.3 -33,-0.3 0.145 126.7-103.0 -94.1 18.2 76.9 9.4 9.6 140 167 A N T < 5 + 0 0 99 -3,-1.9 2,-1.1 1,-0.2 -3,-0.2 0.755 64.3 156.6 68.8 30.8 74.3 7.9 7.3 141 168 A D >< - 0 0 21 -5,-2.3 4,-2.1 1,-0.2 3,-0.3 -0.751 28.1-159.5 -88.8 101.0 71.2 9.7 8.4 142 169 A G H > S+ 0 0 13 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.883 88.0 45.4 -43.8 -58.2 68.9 9.4 5.3 143 170 A D H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 110.3 57.1 -58.3 -36.8 66.6 12.4 6.1 144 171 A G H > S+ 0 0 0 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.927 105.1 50.0 -60.1 -45.3 69.6 14.5 6.9 145 172 A d H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.906 110.5 50.5 -59.9 -42.7 71.2 13.9 3.5 146 173 A T H X S+ 0 0 14 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.924 112.2 45.5 -62.3 -45.8 67.9 14.9 1.8 147 174 A I H X S+ 0 0 39 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.929 112.9 51.3 -63.0 -44.6 67.6 18.1 3.8 148 175 A L H X S+ 0 0 7 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.901 106.3 56.3 -58.0 -40.6 71.3 18.8 3.1 149 176 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.927 105.9 49.4 -57.1 -45.9 70.5 18.2 -0.5 150 177 A S H X S+ 0 0 45 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.815 108.3 54.0 -64.2 -31.0 67.8 20.9 -0.5 151 178 A L H X>S+ 0 0 3 -4,-1.7 5,-1.9 2,-0.2 4,-1.7 0.909 110.0 46.4 -70.3 -41.5 70.3 23.3 1.2 152 179 A Y H <5S+ 0 0 31 -4,-2.3 9,-1.9 2,-0.2 -2,-0.2 0.899 113.1 49.9 -65.5 -41.3 72.8 22.8 -1.6 153 180 A D H <5S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.920 118.0 38.6 -64.0 -43.7 70.1 23.1 -4.3 154 181 A A H <5S- 0 0 49 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.692 105.4-129.8 -80.6 -19.1 68.9 26.4 -2.7 155 182 A G T <5 + 0 0 28 -4,-1.7 2,-0.5 4,-0.2 5,-0.3 0.901 51.5 154.4 71.3 39.7 72.4 27.6 -1.8 156 183 A R S - 0 0 52 -9,-1.9 4,-2.3 -2,-0.2 5,-0.1 -0.838 24.1-173.2-144.5 102.2 75.8 23.5 -6.0 162 189 A L H > S+ 0 0 49 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.795 88.7 57.4 -64.1 -30.5 73.5 21.2 -7.9 163 190 A K H > S+ 0 0 157 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 110.6 42.6 -68.4 -40.9 76.2 18.5 -8.1 164 191 A K H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.876 112.1 55.3 -71.4 -36.7 76.5 18.3 -4.3 165 192 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.943 110.2 45.7 -59.4 -47.3 72.7 18.5 -4.0 166 193 A L H X S+ 0 0 9 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.875 110.3 53.2 -63.2 -41.3 72.4 15.5 -6.3 167 194 A A H X S+ 0 0 58 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.924 111.2 47.2 -60.8 -43.9 75.1 13.6 -4.4 168 195 A S H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.949 114.4 45.1 -62.5 -50.8 73.3 14.2 -1.1 169 196 A Y H X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.906 113.1 52.7 -59.6 -41.9 69.9 13.1 -2.6 170 197 A D H X S+ 0 0 29 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.906 110.4 45.9 -61.0 -44.3 71.6 10.1 -4.2 171 198 A K H X S+ 0 0 65 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.911 110.9 53.5 -65.5 -40.8 73.1 9.0 -0.9 172 199 A A H <>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 -2,-0.2 0.884 108.0 51.8 -59.5 -37.6 69.8 9.6 0.8 173 200 A e H ><5S+ 0 0 1 -4,-2.2 3,-1.8 7,-0.2 -1,-0.2 0.908 107.7 50.1 -66.8 -41.1 68.3 7.3 -1.8 174 201 A D H 3<5S+ 0 0 106 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.837 105.7 58.4 -64.4 -29.7 70.9 4.6 -1.1 175 202 A L T 3<5S- 0 0 52 -4,-2.0 -1,-0.3 -5,-0.2 -33,-0.2 0.238 125.5-106.7 -83.0 13.6 69.9 5.1 2.5 176 203 A K T < 5S+ 0 0 140 -3,-1.8 2,-1.0 1,-0.2 -3,-0.2 0.704 70.9 146.8 69.8 23.0 66.4 4.2 1.5 177 204 A D >>< - 0 0 27 -5,-2.9 4,-1.5 1,-0.2 3,-1.1 -0.796 33.3-162.6 -93.0 102.0 65.0 7.7 1.8 178 205 A S H 3> S+ 0 0 22 -2,-1.0 4,-2.8 1,-0.3 -1,-0.2 0.837 87.5 59.0 -53.6 -40.8 62.3 7.9 -0.9 179 206 A P H 3> S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.884 107.1 51.3 -58.1 -32.2 62.1 11.7 -0.9 180 207 A G H <> S+ 0 0 0 -3,-1.1 4,-2.5 2,-0.2 -7,-0.2 0.911 108.5 48.0 -69.1 -43.7 65.8 11.5 -1.8 181 208 A e H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.895 111.7 53.3 -62.8 -39.3 65.3 9.1 -4.7 182 209 A F H X S+ 0 0 50 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.975 112.9 40.2 -58.8 -59.9 62.5 11.3 -5.9 183 210 A N H X S+ 0 0 50 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.870 114.7 53.9 -58.6 -39.4 64.6 14.5 -6.0 184 211 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.925 109.0 49.0 -62.2 -43.6 67.5 12.6 -7.4 185 212 A G H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.920 109.1 52.7 -61.3 -44.6 65.4 11.3 -10.2 186 213 A N H X S+ 0 0 33 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.921 109.5 48.2 -56.9 -48.2 64.1 14.8 -11.0 187 214 A M H X>S+ 0 0 6 -4,-2.4 5,-2.9 1,-0.2 4,-0.8 0.892 112.2 49.0 -61.9 -39.9 67.6 16.1 -11.2 188 215 A Y H <5S+ 0 0 36 -4,-2.1 9,-2.7 1,-0.2 -1,-0.2 0.793 113.6 47.5 -69.2 -28.1 68.6 13.3 -13.5 189 216 A H H <5S+ 0 0 31 -4,-1.9 -2,-0.2 7,-0.2 -1,-0.2 0.733 118.3 39.9 -84.0 -25.0 65.6 13.8 -15.6 190 217 A H H <5S- 0 0 108 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.409 110.7-117.3-102.7 -0.9 66.1 17.6 -15.9 191 218 A G T <5 + 0 0 30 -4,-0.8 2,-0.5 1,-0.2 5,-0.2 0.907 61.2 151.6 65.5 42.6 69.9 17.4 -16.3 192 219 A E < + 0 0 69 -5,-2.9 -1,-0.2 1,-0.2 -2,-0.1 -0.930 69.6 0.1-110.9 120.9 70.5 19.3 -13.0 193 220 A G S S+ 0 0 23 -2,-0.5 2,-0.3 -28,-0.1 -1,-0.2 0.365 139.7 30.6 85.5 -6.1 73.7 18.5 -11.1 194 221 A A S S- 0 0 37 -7,-0.3 3,-0.1 -28,-0.0 2,-0.0 -0.956 102.6 -72.2-172.1 160.7 74.6 16.1 -13.9 195 222 A T - 0 0 121 -2,-0.3 -4,-0.2 1,-0.1 -3,-0.1 -0.349 67.2 -84.5 -64.4 142.3 74.0 15.5 -17.6 196 223 A K + 0 0 118 -5,-0.2 2,-0.2 -6,-0.2 -7,-0.2 -0.191 56.0 170.2 -47.7 131.1 70.5 14.5 -18.6 197 224 A N > - 0 0 52 -9,-2.7 4,-2.4 -3,-0.1 3,-0.3 -0.688 21.1-177.0-152.4 91.4 70.1 10.7 -18.1 198 225 A F H > S+ 0 0 59 1,-0.2 4,-2.3 -2,-0.2 31,-0.2 0.813 87.2 62.0 -58.4 -30.7 66.6 9.2 -18.4 199 226 A K H > S+ 0 0 151 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.948 108.3 40.2 -60.5 -50.3 68.2 5.8 -17.6 200 227 A E H > S+ 0 0 57 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.919 113.2 54.4 -64.9 -44.9 69.4 7.0 -14.2 201 228 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.878 105.5 55.7 -56.4 -38.6 66.1 8.9 -13.6 202 229 A L H X S+ 0 0 26 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.910 108.1 46.1 -60.8 -45.3 64.3 5.7 -14.3 203 230 A A H X S+ 0 0 39 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.905 114.6 48.6 -64.6 -41.9 66.2 3.8 -11.6 204 231 A R H X S+ 0 0 37 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.964 113.7 45.0 -62.5 -54.3 65.7 6.6 -9.1 205 232 A Y H X S+ 0 0 4 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.876 113.0 52.2 -57.8 -39.9 61.9 6.9 -9.8 206 233 A S H X S+ 0 0 43 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.931 111.0 45.9 -64.5 -45.3 61.6 3.2 -9.6 207 234 A K H X S+ 0 0 65 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.925 114.1 49.2 -62.7 -43.8 63.3 3.0 -6.2 208 235 A A H <>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 -2,-0.2 0.933 112.0 48.7 -60.1 -46.2 61.2 5.9 -5.0 209 236 A f H ><5S+ 0 0 1 -4,-2.9 3,-1.5 7,-0.3 -1,-0.2 0.884 109.2 52.5 -62.2 -39.0 58.1 4.2 -6.2 210 237 A E H 3<5S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 102.6 59.0 -65.6 -32.0 59.1 0.9 -4.6 211 238 A L T 3<5S- 0 0 63 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.196 127.7-102.1 -81.5 16.7 59.5 2.8 -1.3 212 239 A E T < 5 + 0 0 123 -3,-1.5 2,-0.8 1,-0.2 -3,-0.2 0.811 67.4 158.8 68.3 33.2 55.9 3.8 -1.6 213 240 A N >>< - 0 0 28 -5,-2.1 4,-1.8 1,-0.2 3,-0.8 -0.804 30.9-156.3 -93.0 111.8 56.6 7.3 -2.9 214 241 A G H >> S+ 0 0 11 -2,-0.8 4,-2.3 33,-0.3 3,-0.6 0.938 94.0 46.2 -47.8 -61.8 53.5 8.7 -4.7 215 242 A G H 3> S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.731 108.7 61.2 -56.8 -21.5 55.4 11.2 -6.8 216 243 A G H <> S+ 0 0 0 -3,-0.8 4,-1.4 -8,-0.2 -7,-0.3 0.921 107.4 40.0 -72.3 -45.2 57.9 8.5 -7.6 217 244 A f H S+ 0 0 1 -4,-1.3 5,-2.7 1,-0.2 6,-0.3 0.925 113.3 37.4 -62.3 -46.8 58.6 8.4 -18.2 224 251 A Q H ><5S+ 0 0 20 -4,-1.5 9,-1.9 3,-0.2 3,-1.1 0.855 109.8 60.5 -74.3 -38.6 57.0 5.3 -19.8 225 252 A Y H 3<5S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.712 116.8 34.5 -63.4 -20.1 54.0 7.1 -21.2 226 253 A N T 3<5S- 0 0 81 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.284 106.8-125.6-115.4 6.2 56.4 9.2 -23.2 227 254 A G T < 5 + 0 0 18 -3,-1.1 -3,-0.2 6,-0.3 -4,-0.1 0.830 66.1 137.2 51.8 35.3 59.0 6.4 -23.8 228 255 A E S S+ 0 0 105 -2,-0.3 4,-2.0 3,-0.1 5,-0.2 0.642 77.4 63.5-121.9 -35.3 51.4 2.7 -21.7 235 262 A K T 4 S+ 0 0 155 1,-0.2 -10,-0.0 2,-0.2 -2,-0.0 0.680 118.0 31.5 -67.7 -17.0 49.6 -0.4 -20.4 236 263 A Q T > S+ 0 0 65 2,-0.1 4,-1.4 3,-0.1 -1,-0.2 0.595 112.9 61.3-112.0 -21.3 52.2 -0.6 -17.5 237 264 A A H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.821 102.3 53.9 -73.4 -32.0 52.8 3.1 -17.2 238 265 A I H X S+ 0 0 46 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.713 102.3 60.7 -72.9 -21.3 49.1 3.5 -16.3 239 266 A E H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.943 105.7 44.1 -69.4 -49.3 49.7 0.9 -13.6 240 267 A N H X S+ 0 0 16 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.834 108.5 60.7 -64.3 -32.7 52.3 3.1 -11.9 241 268 A F H X S+ 0 0 4 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.900 103.7 49.0 -61.2 -42.0 49.9 6.0 -12.3 242 269 A K H X S+ 0 0 130 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.933 111.4 48.9 -63.8 -45.9 47.2 4.2 -10.3 243 270 A K H X S+ 0 0 50 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.918 110.9 51.1 -59.8 -44.5 49.7 3.4 -7.5 244 271 A G H X>S+ 0 0 0 -4,-2.7 5,-3.6 2,-0.2 4,-0.7 0.945 111.4 46.8 -58.2 -49.0 50.8 7.1 -7.5 245 272 A g H ><5S+ 0 0 42 -4,-2.5 3,-1.0 3,-0.2 -2,-0.2 0.913 112.1 51.3 -59.0 -43.8 47.2 8.2 -7.2 246 273 A K H 3<5S+ 0 0 172 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.931 109.8 49.1 -58.5 -46.9 46.7 5.7 -4.4 247 274 A L H 3<5S- 0 0 52 -4,-3.0 -33,-0.3 -5,-0.2 -1,-0.3 0.564 134.3 -89.1 -71.3 -8.3 49.7 7.0 -2.6 248 275 A G T <<5S+ 0 0 57 -3,-1.0 2,-1.0 -4,-0.7 -3,-0.2 0.385 75.8 146.5 117.9 -4.5 48.5 10.5 -3.0 249 276 A A >>< - 0 0 11 -5,-3.6 4,-1.4 -6,-0.2 3,-0.6 -0.541 27.1-169.3 -69.6 102.3 49.9 11.7 -6.3 250 277 A K H >> S+ 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