==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 12-JAN-04 1S2X . COMPND 2 MOLECULE: CAG-Z; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR L.CENDRON,A.SEYDEL,A.ANGELINI,R.BATTISTUTTA,G.ZANOTTI . 180 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 80.6 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 0 2 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 1 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 0 A V > 0 0 90 0, 0.0 3,-0.7 0, 0.0 94,-0.0 0.000 360.0 360.0 360.0 163.9 -57.9 58.5 38.5 2 1 A D T 3 + 0 0 145 1,-0.2 5,-0.0 3,-0.0 0, 0.0 -0.008 360.0 75.9 -93.5 28.0 -56.3 60.2 41.5 3 2 A E T 3 S+ 0 0 82 85,-0.0 -1,-0.2 4,-0.0 2,-0.2 0.102 81.3 92.2-119.6 21.4 -56.9 57.3 43.9 4 3 A L < + 0 0 14 -3,-0.7 6,-0.1 1,-0.2 81,-0.1 -0.668 53.1 60.2-107.6 163.1 -54.0 55.4 42.4 5 4 A G S S- 0 0 3 -2,-0.2 -1,-0.2 1,-0.1 80,-0.1 0.687 115.4 -80.6 92.1 20.0 -50.3 55.2 43.3 6 5 A F - 0 0 0 -3,-0.2 -1,-0.1 78,-0.1 -2,-0.1 0.904 68.0-146.2 43.8 63.5 -50.8 53.9 46.8 7 6 A N > - 0 0 38 -4,-0.1 4,-2.5 1,-0.1 5,-0.2 0.143 22.5-105.9 -49.4 158.2 -51.7 57.3 48.2 8 7 A E H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.852 124.6 53.0 -57.7 -34.4 -50.9 58.7 51.7 9 8 A A H > S+ 0 0 54 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.884 108.9 46.5 -71.9 -35.1 -54.6 58.2 52.4 10 9 A E H > S+ 0 0 34 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.878 113.6 50.2 -72.6 -35.4 -54.6 54.6 51.2 11 10 A R H X S+ 0 0 48 -4,-2.5 4,-1.6 1,-0.2 3,-0.2 0.920 108.0 52.5 -65.3 -42.6 -51.5 54.0 53.3 12 11 A Q H X S+ 0 0 93 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.756 103.4 59.0 -66.7 -26.5 -53.1 55.6 56.4 13 12 A K H X S+ 0 0 132 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.892 105.3 48.4 -71.3 -37.9 -56.1 53.3 56.0 14 13 A I H X S+ 0 0 14 -4,-1.3 4,-1.4 -3,-0.2 -2,-0.2 0.835 110.7 52.3 -72.4 -31.1 -53.8 50.3 56.3 15 14 A L H < S+ 0 0 39 -4,-1.6 3,-0.5 2,-0.2 4,-0.3 0.992 115.6 38.1 -65.0 -57.2 -52.2 51.8 59.4 16 15 A D H >< S+ 0 0 86 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.885 114.2 56.5 -60.0 -39.1 -55.4 52.5 61.3 17 16 A S H 3< S+ 0 0 96 -4,-2.3 3,-0.2 -5,-0.3 -1,-0.2 0.883 119.3 31.1 -58.8 -38.1 -57.0 49.3 60.0 18 17 A N T >< S+ 0 0 25 -4,-1.4 3,-0.6 -3,-0.5 4,-0.4 0.128 88.4 106.9-105.8 11.5 -54.1 47.3 61.5 19 18 A S T < + 0 0 49 -3,-1.0 3,-0.4 -4,-0.3 4,-0.4 0.556 56.4 83.2 -77.1 -4.4 -53.3 49.5 64.5 20 19 A S T > S+ 0 0 86 -3,-0.2 3,-1.4 1,-0.2 -1,-0.2 0.913 85.5 52.8 -71.9 -39.3 -54.7 47.2 67.1 21 20 A L T < S+ 0 0 77 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.803 112.9 48.1 -63.0 -22.7 -51.7 44.9 67.6 22 21 A X T > S+ 0 0 19 -3,-0.4 3,-2.3 -4,-0.4 4,-0.3 0.423 77.9 136.4 -95.8 -2.9 -49.6 48.0 68.1 23 22 A R T < S- 0 0 186 -3,-1.4 -3,-0.1 -4,-0.4 -4,-0.0 -0.297 84.8 -10.1 -56.1 120.8 -51.9 49.7 70.6 24 23 A N T 3> S+ 0 0 101 1,-0.1 4,-2.6 -2,-0.1 -1,-0.3 0.585 87.0 144.9 70.7 15.8 -49.8 51.1 73.5 25 24 A A H <> S+ 0 0 5 -3,-2.3 4,-2.3 1,-0.2 5,-0.2 0.892 71.6 45.9 -54.2 -45.6 -46.6 49.3 72.3 26 25 A N H > S+ 0 0 87 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.921 113.4 48.5 -68.2 -37.4 -44.3 52.2 73.4 27 26 A E H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.864 111.6 50.8 -69.1 -33.2 -46.0 52.6 76.8 28 27 A V H X S+ 0 0 73 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.930 113.3 44.9 -66.0 -45.2 -45.8 48.9 77.4 29 28 A R H X S+ 0 0 24 -4,-2.3 4,-3.1 -5,-0.2 5,-0.2 0.939 113.6 50.0 -61.1 -49.5 -42.1 48.8 76.6 30 29 A D H X S+ 0 0 80 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.921 113.9 44.4 -58.0 -46.4 -41.4 51.9 78.6 31 30 A K H X S+ 0 0 138 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.915 113.2 49.8 -69.2 -40.2 -43.2 50.5 81.7 32 31 A F H X>S+ 0 0 15 -4,-2.6 4,-2.1 2,-0.2 5,-0.5 0.953 112.3 48.9 -62.5 -46.0 -41.7 47.1 81.4 33 32 A I H X>S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.8 0.965 111.1 49.3 -57.9 -51.1 -38.2 48.5 81.1 34 33 A Q H <5S+ 0 0 97 -4,-2.6 -1,-0.2 -5,-0.2 4,-0.2 0.858 116.7 41.9 -57.0 -34.8 -38.7 50.8 84.1 35 34 A N H <5S+ 0 0 100 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.726 132.0 14.0 -91.5 -15.8 -40.0 48.0 86.3 36 35 A Y H <5S+ 0 0 85 -4,-2.1 -3,-0.2 -3,-0.4 -2,-0.2 0.602 121.3 47.5-131.8 -14.8 -37.6 45.2 85.3 37 36 A A T >< S+ 0 0 53 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.691 78.7 81.2 -63.5 -16.6 -31.0 47.1 87.5 40 39 A L G X S+ 0 0 2 -3,-1.1 3,-1.9 1,-0.3 -1,-0.3 0.869 84.8 63.5 -52.0 -34.6 -28.9 45.9 84.5 41 40 A K G < S+ 0 0 88 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.795 98.8 53.0 -63.1 -27.9 -27.0 49.1 85.0 42 41 A D G < S+ 0 0 110 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.221 76.9 141.4 -94.5 21.3 -25.9 47.9 88.4 43 42 A S < - 0 0 7 -3,-1.9 6,-0.1 1,-0.1 -3,-0.1 -0.348 46.8-146.0 -60.0 137.8 -24.5 44.6 87.1 44 43 A N - 0 0 121 1,-0.2 -1,-0.1 94,-0.0 3,-0.0 0.850 69.2 -16.4 -72.9 -32.7 -21.3 43.8 88.9 45 44 A D S >> S- 0 0 71 1,-0.1 4,-2.5 93,-0.0 3,-0.8 -0.957 82.7 -75.0-165.2 165.8 -19.5 42.1 86.0 46 45 A P H 3> S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.852 127.9 39.2 -44.6 -46.0 -20.0 40.6 82.5 47 46 A Q H 3> S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.780 112.6 55.8 -86.3 -14.5 -21.5 37.3 83.7 48 47 A D H <> S+ 0 0 27 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.866 107.3 52.2 -76.0 -33.1 -23.5 39.0 86.4 49 48 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.933 110.8 46.3 -57.6 -51.3 -24.9 41.2 83.6 50 49 A L H X S+ 0 0 14 -4,-1.9 4,-2.7 1,-0.3 -2,-0.2 0.847 109.5 54.2 -67.9 -33.0 -25.9 38.0 81.7 51 50 A R H X S+ 0 0 161 -4,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.893 110.8 46.2 -62.7 -40.0 -27.4 36.5 84.8 52 51 A R H X S+ 0 0 68 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.815 109.3 55.3 -73.8 -27.6 -29.5 39.6 85.1 53 52 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.934 106.0 51.1 -71.2 -43.4 -30.3 39.4 81.4 54 53 A Q H X S+ 0 0 109 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.951 110.5 48.8 -49.9 -50.5 -31.6 35.8 81.9 55 54 A E H X S+ 0 0 86 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.892 108.3 55.0 -61.7 -34.8 -33.8 37.0 84.8 56 55 A L H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.915 108.2 48.2 -61.6 -43.0 -35.0 39.8 82.5 57 56 A R H X S+ 0 0 80 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.868 110.9 50.7 -64.6 -38.5 -36.0 37.3 79.9 58 57 A I H X S+ 0 0 74 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.938 111.0 48.5 -66.9 -40.4 -37.8 35.3 82.6 59 58 A N H X S+ 0 0 31 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.883 108.7 54.7 -65.7 -34.3 -39.6 38.4 83.7 60 59 A X H ><>S+ 0 0 2 -4,-2.4 5,-2.6 2,-0.2 3,-0.5 0.958 110.8 44.9 -61.0 -46.6 -40.5 39.1 80.1 61 60 A Q H ><5S+ 0 0 112 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.953 110.9 52.5 -64.9 -43.9 -42.1 35.6 79.8 62 61 A K H 3<5S+ 0 0 140 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.745 111.0 48.3 -62.2 -23.0 -43.9 35.9 83.1 63 62 A N T <<5S- 0 0 79 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.203 114.5-117.9-101.6 12.9 -45.4 39.3 82.0 64 63 A F T < 5 + 0 0 184 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.787 49.5 170.5 51.1 36.5 -46.4 37.8 78.6 65 64 A I < - 0 0 25 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.543 10.4-178.1 -68.3 138.8 -44.2 40.1 76.6 66 65 A S - 0 0 58 -2,-0.2 4,-0.4 1,-0.1 3,-0.2 -0.940 34.2-175.3-148.4 124.1 -44.3 38.8 73.1 67 66 A F S >> S+ 0 0 15 -2,-0.4 4,-1.5 1,-0.2 3,-0.7 0.740 81.5 80.5 -84.7 -24.1 -42.6 39.9 69.9 68 67 A D H 3> S+ 0 0 81 1,-0.3 4,-1.9 2,-0.2 3,-0.2 0.855 87.0 59.0 -47.7 -38.2 -44.5 37.3 67.9 69 68 A A H 3> S+ 0 0 29 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.934 103.1 49.4 -60.5 -44.2 -47.4 39.7 67.9 70 69 A Y H <> S+ 0 0 18 -3,-0.7 4,-2.3 -4,-0.4 -1,-0.2 0.810 106.2 59.5 -63.9 -28.9 -45.3 42.4 66.2 71 70 A Y H X S+ 0 0 51 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.891 109.2 42.3 -59.7 -46.6 -44.4 39.6 63.7 72 71 A N H X S+ 0 0 81 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.874 109.1 58.2 -72.1 -40.3 -48.1 39.2 62.9 73 72 A Y H X S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.959 110.1 44.3 -53.4 -52.4 -48.7 43.0 62.8 74 73 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.899 112.7 50.8 -62.0 -42.0 -46.1 43.4 60.1 75 74 A N H X S+ 0 0 69 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.938 112.6 46.9 -60.3 -47.6 -47.3 40.3 58.1 76 75 A N H X S+ 0 0 68 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.931 114.8 46.8 -57.3 -48.0 -50.9 41.7 58.2 77 76 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.921 112.9 48.1 -59.8 -48.6 -49.7 45.2 57.2 78 77 A V H X S+ 0 0 3 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.909 114.5 46.5 -61.0 -42.9 -47.5 43.9 54.4 79 78 A L H X S+ 0 0 76 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.937 112.5 48.9 -62.8 -50.8 -50.3 41.7 53.0 80 79 A A H X S+ 0 0 31 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.795 112.4 49.2 -60.1 -35.7 -52.9 44.4 53.2 81 80 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.831 111.6 49.3 -69.8 -41.7 -50.5 46.8 51.4 82 81 A Y H X S+ 0 0 32 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.891 109.5 51.6 -63.6 -44.1 -49.9 44.2 48.7 83 82 A N H X S+ 0 0 86 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.822 111.9 47.1 -64.9 -38.1 -53.6 43.6 48.3 84 83 A R H X S+ 0 0 47 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.931 114.6 45.1 -69.6 -49.7 -54.2 47.3 47.8 85 84 A C H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.860 110.2 54.7 -64.8 -32.6 -51.4 47.9 45.4 86 85 A K H X S+ 0 0 94 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.904 110.9 45.3 -67.4 -40.7 -52.3 44.8 43.4 87 86 A Q H X S+ 0 0 128 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.878 114.7 47.9 -65.3 -48.4 -55.8 46.0 42.9 88 87 A E H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.968 110.7 53.0 -56.4 -52.4 -54.6 49.5 42.0 89 88 A K H X S+ 0 0 25 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.881 110.9 46.4 -51.6 -43.7 -52.1 47.9 39.6 90 89 A T H X S+ 0 0 71 -4,-2.0 4,-1.1 1,-0.2 3,-0.3 0.975 110.8 50.5 -66.6 -52.0 -54.9 46.0 37.9 91 90 A F H X S+ 0 0 100 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.740 109.7 52.5 -57.9 -27.7 -57.3 49.0 37.6 92 91 A A H >X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 3,-0.6 0.905 109.5 47.3 -74.5 -39.3 -54.4 51.0 36.1 93 92 A E H 3< S+ 0 0 81 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.626 115.2 48.3 -74.2 -12.8 -53.7 48.4 33.5 94 93 A S H 3< S+ 0 0 79 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.570 123.5 31.0 -96.6 -12.6 -57.5 48.3 32.8 95 94 A T H << S+ 0 0 60 -3,-0.6 2,-0.6 -4,-0.5 -2,-0.2 0.573 102.1 74.9-121.3 -17.1 -57.8 52.0 32.6 96 95 A I < - 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0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.457 12.1-154.5 -75.4 118.1 -32.4 49.4 76.9 134 133 A R G > S+ 0 0 162 -2,-0.5 3,-1.1 1,-0.3 -3,-0.0 0.839 91.3 62.9 -57.4 -30.3 -29.2 51.1 75.9 135 134 A E G 3 S+ 0 0 92 1,-0.2 -1,-0.3 -3,-0.0 -97,-0.0 0.625 104.5 45.4 -77.8 -5.4 -29.5 53.5 78.8 136 135 A Y G < S+ 0 0 48 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.139 82.4 121.0-116.5 11.9 -29.3 50.8 81.5 137 136 A L < - 0 0 7 -3,-1.1 -96,-0.2 -4,-0.3 4,-0.1 -0.686 70.0-112.3 -79.0 125.9 -26.3 48.9 80.0 138 137 A P > - 0 0 1 0, 0.0 3,-1.9 0, 0.0 -96,-0.1 -0.159 25.2-115.7 -57.0 150.6 -23.3 48.7 82.4 139 138 A P T 3 S+ 0 0 121 0, 0.0 -2,-0.0 0, 0.0 -98,-0.0 0.710 111.3 59.6 -67.8 -16.6 -20.3 50.7 81.2 140 139 A F T 3 S+ 0 0 87 2,-0.0 2,-0.5 -95,-0.0 -3,-0.0 0.311 78.3 113.1 -93.7 11.2 -18.2 47.6 80.8 141 140 A I < - 0 0 16 -3,-1.9 2,-0.2 4,-0.1 -4,-0.0 -0.694 48.0-163.2 -92.3 132.2 -20.4 45.9 78.3 142 141 A D > - 0 0 87 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.518 38.6 -92.5-101.8 176.2 -19.1 45.4 74.7 143 142 A G H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.696 123.2 55.8 -56.9 -24.9 -20.8 44.7 71.4 144 143 A N H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.969 107.9 43.3 -80.9 -48.9 -20.2 41.0 72.0 145 144 A X H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.828 112.9 55.3 -62.7 -31.8 -22.0 40.7 75.4 146 145 A X H X S+ 0 0 32 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.931 104.9 54.8 -64.2 -39.6 -24.8 42.9 73.8 147 146 A G H X S+ 0 0 26 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.940 109.5 44.8 -54.5 -51.4 -25.0 40.3 71.1 148 147 A V H X S+ 0 0 44 -4,-2.1 4,-3.3 1,-0.2 -1,-0.2 0.892 111.6 52.5 -61.7 -41.0 -25.5 37.5 73.6 149 148 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 6,-0.3 0.904 107.1 53.9 -62.3 -41.5 -28.1 39.6 75.6 150 149 A F H <>S+ 0 0 56 -4,-3.0 6,-2.0 1,-0.2 5,-1.4 0.906 111.7 45.7 -57.6 -38.4 -29.9 40.2 72.3 151 150 A Q H ><5S+ 0 0 112 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.955 112.7 48.2 -73.9 -43.5 -30.0 36.4 71.9 152 151 A I H 3<5S+ 0 0 45 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.866 109.6 54.1 -67.2 -30.0 -31.1 35.7 75.4 153 152 A L T 3<5S- 0 0 1 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.506 114.7-112.1 -82.6 -0.5 -33.9 38.3 75.3 154 153 A G T <>5S+ 0 0 10 -3,-1.3 4,-1.3 -4,-0.4 -3,-0.2 0.475 88.8 112.9 91.2 -2.0 -35.4 36.8 72.2 155 154 A I H > S+ 0 0 61 -6,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.919 110.3 48.8 -54.9 -44.3 -32.0 38.1 67.9 157 156 A D H > S+ 0 0 91 -7,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.816 108.8 52.5 -69.7 -31.4 -34.6 35.5 67.0 158 157 A F H X S+ 0 0 6 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.911 104.5 57.7 -67.3 -40.6 -37.2 38.2 66.2 159 158 A G H X S+ 0 0 23 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.918 104.8 51.0 -54.4 -50.8 -34.6 39.8 63.9 160 159 A K H X S+ 0 0 109 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.946 111.3 47.3 -50.1 -51.7 -34.4 36.5 61.9 161 160 A K H X S+ 0 0 42 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.902 110.7 52.0 -64.2 -32.5 -38.2 36.5 61.6 162 161 A L H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.879 104.2 58.3 -68.9 -34.1 -38.1 40.1 60.6 163 162 A N H X S+ 0 0 100 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.875 102.5 52.7 -61.7 -40.1 -35.5 39.2 57.9 164 163 A E H X S+ 0 0 106 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.869 109.1 50.5 -62.0 -37.9 -38.0 36.7 56.3 165 164 A I H X S+ 0 0 8 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.932 108.7 49.4 -66.6 -45.7 -40.6 39.5 56.1 166 165 A V H X S+ 0 0 65 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.859 109.9 55.1 -59.4 -30.7 -38.3 42.0 54.5 167 166 A Q H X S+ 0 0 135 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.881 108.1 46.3 -71.2 -37.3 -37.5 39.1 52.1 168 167 A D H X S+ 0 0 58 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.830 107.7 56.3 -73.7 -33.2 -41.1 38.7 51.2 169 168 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.905 106.7 52.4 -58.2 -43.9 -41.6 42.5 50.8 170 169 A G H X S+ 0 0 29 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.835 111.2 45.4 -60.5 -40.4 -38.8 42.2 48.2 171 170 A T H X S+ 0 0 79 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.814 113.2 49.3 -73.7 -30.8 -40.6 39.4 46.4 172 171 A K H X S+ 0 0 31 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.833 108.5 54.3 -77.1 -30.6 -43.9 41.3 46.5 173 172 A Y H X S+ 0 0 70 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.919 106.0 53.1 -62.9 -45.5 -42.1 44.3 45.2 174 173 A I H X S+ 0 0 101 -4,-1.7 4,-0.7 2,-0.2 3,-0.4 0.973 112.5 44.5 -49.6 -58.9 -40.9 42.2 42.3 175 174 A I H >< S+ 0 0 75 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.936 115.0 46.3 -52.3 -56.2 -44.4 41.2 41.6 176 175 A L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -66,-0.2 0.742 112.1 50.7 -65.2 -24.5 -46.0 44.6 41.9 177 176 A S H 3< S+ 0 0 27 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.532 72.2 153.1 -94.7 -1.4 -43.3 46.4 39.8 178 177 A K << - 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