==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 29-JUN-01 1JI4 . COMPND 2 MOLECULE: NEUTROPHIL-ACTIVATING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR G.ZANOTTI,E.PAPINUTTO,W.G.DUNDON,R.BATTISTUTTA,M.SEVESO, . 1728 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1416 81.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 2.1 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 . 24 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1224 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 0 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 12 0 0 24 0 0 RESIDUES PER ALPHA HELIX . 0 12 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 . 12 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 0 100 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 173.9 39.7 15.3 -16.7 2 2 A K >> - 0 0 110 1,-0.1 4,-1.9 114,-0.0 3,-0.6 -0.544 360.0-102.3 -89.5 161.1 41.0 12.0 -15.3 3 3 A T H 3> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.910 121.5 50.5 -52.2 -47.2 39.0 10.4 -12.6 4 4 A F H 3> S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.799 107.8 53.8 -65.5 -26.8 41.4 11.5 -9.8 5 5 A E H <> S+ 0 0 55 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.872 109.5 47.3 -73.7 -37.1 41.3 15.1 -11.0 6 6 A I H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.896 111.2 53.3 -67.9 -39.5 37.4 15.1 -10.9 7 7 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.900 107.7 49.9 -61.4 -43.5 37.7 13.6 -7.4 8 8 A K H X S+ 0 0 44 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.862 110.9 48.8 -66.1 -36.5 40.1 16.3 -6.2 9 9 A H H X S+ 0 0 38 -4,-1.6 4,-2.2 2,-0.2 68,-0.2 0.914 112.4 48.4 -68.3 -41.8 37.8 19.1 -7.5 10 10 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.877 109.7 53.0 -64.1 -37.9 34.8 17.4 -5.8 11 11 A Q H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.883 108.0 51.4 -64.5 -38.9 36.9 17.1 -2.6 12 12 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.921 110.0 48.4 -63.9 -45.3 37.6 20.9 -2.8 13 13 A D H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.855 105.7 59.7 -64.1 -35.4 33.9 21.6 -3.1 14 14 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.926 108.7 41.2 -60.3 -47.6 33.1 19.4 -0.1 15 15 A I H X S+ 0 0 1 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.852 116.2 50.2 -70.6 -33.5 35.2 21.3 2.3 16 16 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.903 113.6 45.4 -69.9 -40.4 34.1 24.7 0.9 17 17 A L H X S+ 0 0 3 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.835 106.9 59.6 -69.5 -34.3 30.4 23.6 1.2 18 18 A F H X S+ 0 0 4 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.937 111.2 41.3 -58.5 -46.1 31.1 22.3 4.7 19 19 A M H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 3,-0.3 0.908 113.6 54.6 -67.6 -42.9 32.1 25.8 5.6 20 20 A K H X S+ 0 0 5 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.881 107.5 45.9 -61.8 -44.2 29.3 27.4 3.6 21 21 A V H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.707 106.4 61.0 -76.4 -15.1 26.4 25.5 5.2 22 22 A H H X S+ 0 0 0 -4,-0.8 4,-2.6 -3,-0.3 5,-0.3 0.915 102.5 52.9 -70.3 -41.5 27.9 26.2 8.7 23 23 A N H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.941 111.4 44.0 -56.0 -49.4 27.4 29.8 7.8 24 24 A F H X S+ 0 0 1 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.898 111.9 56.5 -61.6 -39.8 23.7 29.2 7.0 25 25 A H H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 3,-0.2 0.874 115.9 33.7 -58.0 -44.8 23.6 27.0 10.2 26 26 A W H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.843 122.4 44.2 -83.1 -36.2 24.8 29.9 12.5 27 27 A N H < S+ 0 0 8 -4,-2.8 59,-2.0 -5,-0.3 -2,-0.2 0.216 72.3 129.9-102.8 18.5 23.2 32.8 10.7 28 28 A V E < -a 86 0A 0 -4,-0.8 2,-0.3 -3,-0.2 59,-0.2 -0.431 34.8-169.1 -68.1 143.7 19.6 31.8 9.9 29 29 A K E +a 87 0A 44 57,-2.1 59,-0.7 -2,-0.1 983,-0.2 -0.942 37.3 58.4-130.5 150.7 17.0 34.4 10.9 30 30 A G S > S- 0 0 8 981,-2.6 3,-2.5 -2,-0.3 983,-0.1 -0.347 96.1 -63.9 117.3 163.4 13.3 33.9 11.0 31 31 A T T 3 S+ 0 0 97 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.510 125.8 68.3 -64.3 -2.0 10.5 31.7 12.4 32 32 A D T >> + 0 0 31 -3,-0.2 4,-1.8 1,-0.1 3,-0.9 0.559 68.5 110.7 -91.7 -13.0 12.2 28.9 10.4 33 33 A F H <> S+ 0 0 8 -3,-2.5 4,-2.9 1,-0.2 5,-0.3 0.765 71.5 47.9 -29.6 -67.2 15.3 28.9 12.6 34 34 A F H 3> S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 114.2 46.7 -51.6 -44.8 15.0 25.6 14.4 35 35 A N H <> S+ 0 0 29 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.940 118.0 38.7 -66.3 -49.3 14.3 23.6 11.3 36 36 A V H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.844 113.9 55.7 -72.6 -29.8 17.0 25.0 9.1 37 37 A H H X S+ 0 0 27 -4,-2.9 4,-1.0 -5,-0.3 -1,-0.2 0.921 114.4 41.5 -64.0 -41.8 19.5 25.1 12.0 38 38 A K H X S+ 0 0 96 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.893 116.1 48.4 -70.5 -43.7 18.8 21.4 12.4 39 39 A A H X S+ 0 0 30 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.903 107.7 53.7 -65.6 -45.4 18.8 20.6 8.6 40 40 A T H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.829 104.6 56.9 -61.7 -31.6 22.0 22.4 7.9 41 41 A E H X S+ 0 0 61 -4,-1.0 4,-1.6 -5,-0.2 -1,-0.2 0.933 107.1 47.1 -65.9 -43.8 23.8 20.4 10.6 42 42 A E H X S+ 0 0 101 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.896 112.3 53.0 -63.1 -37.8 22.8 17.2 9.0 43 43 A I H X S+ 0 0 27 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.932 109.7 44.2 -65.2 -48.3 24.0 18.6 5.6 44 44 A Y H X S+ 0 0 11 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.776 108.7 58.9 -71.5 -20.4 27.5 19.6 6.8 45 45 A E H X S+ 0 0 85 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.886 107.4 48.7 -68.4 -37.8 27.9 16.3 8.6 46 46 A E H X S+ 0 0 92 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.894 108.8 50.9 -67.7 -43.3 27.3 14.7 5.2 47 47 A F H X S+ 0 0 10 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.849 106.2 56.3 -64.9 -32.7 29.9 17.0 3.5 48 48 A A H X S+ 0 0 15 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.903 110.8 44.4 -64.8 -39.6 32.4 16.1 6.1 49 49 A D H X S+ 0 0 90 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.902 113.7 49.0 -69.9 -42.1 31.9 12.4 5.3 50 50 A M H X S+ 0 0 13 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.900 108.1 55.4 -62.3 -42.7 32.0 13.1 1.5 51 51 A F H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.914 112.1 43.1 -55.9 -45.8 35.2 15.1 2.0 52 52 A D H X S+ 0 0 14 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.892 114.3 49.0 -71.2 -40.7 36.8 12.1 3.7 53 53 A D H X S+ 0 0 65 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.912 110.8 49.9 -65.7 -44.2 35.6 9.5 1.3 54 54 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.944 112.3 48.2 -58.4 -49.4 36.7 11.5 -1.8 55 55 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.881 112.7 47.0 -59.8 -43.2 40.1 11.9 -0.3 56 56 A E H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.809 108.8 54.8 -72.0 -28.7 40.6 8.3 0.6 57 57 A R H X S+ 0 0 15 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.907 106.7 53.3 -68.8 -38.5 39.4 7.2 -2.8 58 58 A I H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 -2,-0.2 0.902 110.3 45.0 -62.3 -42.9 42.1 9.4 -4.3 59 59 A V H ><5S+ 0 0 19 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.890 110.7 53.9 -70.7 -35.0 44.8 7.8 -2.2 60 60 A Q H 3<5S+ 0 0 44 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.845 106.0 55.0 -63.2 -31.2 43.4 4.3 -3.0 61 61 A L T 3<5S- 0 0 49 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.456 125.1-107.6 -80.0 -2.4 43.7 5.4 -6.6 62 62 A G T < 5S+ 0 0 63 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.679 81.7 109.1 85.4 19.4 47.4 6.2 -6.1 63 63 A H S S- 0 0 5 447,-0.1 4,-1.7 1,-0.1 3,-0.2 -0.981 73.2-128.4-140.3 151.1 45.4 22.3 2.7 69 69 A L H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.831 111.5 61.6 -63.4 -31.8 42.5 24.8 2.7 70 70 A S H > S+ 0 0 68 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.904 104.2 44.9 -61.7 -45.5 44.7 26.9 0.3 71 71 A E H > S+ 0 0 54 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.875 111.1 58.5 -65.5 -37.4 44.7 24.2 -2.4 72 72 A A H >X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 3,-0.5 0.940 105.5 43.8 -60.0 -52.1 41.0 23.8 -1.8 73 73 A I H 3< S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.700 111.5 57.7 -71.6 -11.0 39.9 27.4 -2.6 74 74 A K H 3< S+ 0 0 179 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.810 115.1 35.4 -82.6 -29.7 42.2 27.2 -5.5 75 75 A L H << S+ 0 0 36 -4,-1.5 -2,-0.2 -3,-0.5 -3,-0.1 0.640 90.8 110.8 -98.2 -17.3 40.4 24.2 -6.9 76 76 A T < - 0 0 27 -4,-2.0 -66,-0.1 -64,-0.2 -67,-0.1 -0.146 46.0-165.3 -60.5 157.9 36.7 24.8 -6.0 77 77 A R + 0 0 100 -68,-0.2 2,-0.5 2,-0.1 -1,-0.1 0.164 69.1 98.3-118.9 3.7 34.0 25.6 -8.5 78 78 A V S S- 0 0 7 23,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.837 73.6-133.0-100.0 128.6 31.9 26.8 -5.6 79 79 A K - 0 0 150 -2,-0.5 2,-0.2 1,-0.1 -2,-0.1 -0.624 23.5-122.9 -81.4 136.7 31.7 30.4 -4.7 80 80 A E - 0 0 18 -2,-0.3 2,-0.7 -7,-0.1 423,-0.1 -0.523 19.8-125.6 -79.0 142.9 32.2 31.2 -1.0 81 81 A E + 0 0 30 421,-0.3 -1,-0.1 -2,-0.2 -58,-0.0 -0.824 25.5 179.2 -95.2 116.5 29.4 33.1 0.8 82 82 A T + 0 0 104 -2,-0.7 -1,-0.1 419,-0.0 420,-0.1 0.624 49.8 102.0 -90.0 -14.5 30.6 36.3 2.6 83 83 A K - 0 0 127 1,-0.1 3,-0.1 419,-0.1 -2,-0.1 -0.315 54.7-158.8 -69.4 154.6 27.2 37.4 4.0 84 84 A T + 0 0 37 1,-0.2 2,-0.3 -58,-0.0 -1,-0.1 0.060 67.9 53.2-125.1 25.4 26.5 36.8 7.7 85 85 A S + 0 0 66 2,-0.0 2,-0.3 -56,-0.0 -57,-0.2 -0.908 60.2 165.4-160.6 129.5 22.7 36.9 7.9 86 86 A F E -a 28 0A 11 -59,-2.0 -57,-2.1 -2,-0.3 2,-0.4 -0.965 28.2-133.0-146.2 163.3 20.1 35.0 5.9 87 87 A H E >> -a 29 0A 88 -2,-0.3 4,-1.6 -59,-0.2 3,-1.1 -0.892 41.1-102.2-116.5 145.7 16.4 33.9 5.7 88 88 A S H 3> S+ 0 0 11 -59,-0.7 4,-2.3 -2,-0.4 3,-0.3 0.795 116.5 55.3 -27.8 -60.1 15.3 30.4 5.0 89 89 A K H 3> S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.866 108.5 45.8 -49.0 -49.2 14.4 31.0 1.3 90 90 A D H <> S+ 0 0 86 -3,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.854 110.8 54.5 -66.2 -35.7 17.8 32.4 0.3 91 91 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.3 -2,-0.2 0.924 110.6 45.1 -62.9 -47.3 19.6 29.6 2.1 92 92 A F H X S+ 0 0 18 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.786 109.1 55.5 -70.7 -28.5 17.7 26.9 0.3 93 93 A K H X S+ 0 0 91 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.939 112.0 44.1 -68.5 -45.1 18.1 28.6 -3.1 94 94 A E H X S+ 0 0 38 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.920 113.0 49.2 -63.9 -47.1 21.9 28.6 -2.7 95 95 A I H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.914 112.0 50.8 -59.2 -41.0 22.0 25.0 -1.4 96 96 A L H X S+ 0 0 15 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.914 108.9 51.0 -62.3 -44.2 19.9 24.0 -4.4 97 97 A E H X S+ 0 0 115 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.936 113.4 44.6 -59.1 -48.1 22.2 25.8 -6.8 98 98 A D H X S+ 0 0 20 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.839 111.0 53.7 -66.7 -34.0 25.2 24.0 -5.3 99 99 A Y H X S+ 0 0 20 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.900 107.3 50.9 -66.7 -42.1 23.5 20.6 -5.2 100 100 A K H X S+ 0 0 74 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.864 110.4 50.7 -63.2 -35.6 22.7 20.9 -8.9 101 101 A Y H X S+ 0 0 41 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.917 109.7 49.3 -67.7 -43.8 26.3 21.7 -9.6 102 102 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.859 106.3 57.7 -63.4 -36.6 27.5 18.7 -7.6 103 103 A E H X S+ 0 0 31 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.904 105.9 48.5 -61.8 -41.9 25.1 16.5 -9.5 104 104 A K H X S+ 0 0 144 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.917 112.2 49.9 -63.9 -42.0 26.6 17.5 -12.8 105 105 A E H X S+ 0 0 26 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.866 109.7 49.4 -64.7 -38.9 30.1 16.8 -11.4 106 106 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.776 107.9 55.0 -72.9 -24.8 29.1 13.3 -10.1 107 107 A K H X S+ 0 0 88 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.895 109.8 46.2 -72.4 -38.9 27.6 12.5 -13.5 108 108 A E H X S+ 0 0 104 -4,-1.8 4,-3.3 2,-0.2 5,-0.4 0.945 111.9 52.1 -65.4 -47.0 31.0 13.3 -15.1 109 109 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.938 111.5 46.5 -52.0 -52.2 32.7 11.3 -12.4 110 110 A S H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.913 115.2 46.9 -58.3 -45.4 30.5 8.3 -13.1 111 111 A N H X S+ 0 0 61 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.934 116.9 39.4 -65.5 -49.1 30.9 8.6 -16.9 112 112 A T H X S+ 0 0 24 -4,-3.3 4,-1.5 1,-0.2 -109,-0.2 0.846 113.1 55.5 -74.0 -29.8 34.7 9.0 -17.0 113 113 A A H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.4 4,-0.5 0.885 107.1 52.5 -66.8 -36.4 35.3 6.5 -14.3 114 114 A E H ><5S+ 0 0 97 -4,-1.6 3,-1.1 -5,-0.3 -1,-0.2 0.910 105.4 52.5 -65.2 -42.9 33.3 4.0 -16.4 115 115 A K H 3<5S+ 0 0 178 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.840 109.9 49.9 -62.1 -32.6 35.4 4.6 -19.5 116 116 A E T 3<5S- 0 0 106 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.561 117.0-115.6 -81.7 -8.9 38.6 3.9 -17.4 117 117 A G T < 5 + 0 0 50 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46.5 -52.0 -52.2 40.7 33.5 26.2 545 110 D S H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.912 115.2 47.0 -58.4 -45.4 40.1 32.5 29.8 546 111 D N H X S+ 0 0 64 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.934 116.9 39.4 -65.5 -49.1 42.0 35.5 31.2 547 112 D T H X S+ 0 0 25 -4,-3.3 4,-1.5 1,-0.2 -109,-0.2 0.846 113.1 55.5 -74.0 -29.8 40.6 38.2 29.1 548 113 D A H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.4 4,-0.5 0.884 107.1 52.6 -66.8 -36.4 37.0 36.8 29.2 549 114 D E H ><5S+ 0 0 98 -4,-1.6 3,-1.1 -5,-0.3 -1,-0.2 0.910 105.4 52.4 -65.2 -42.9 37.3 36.9 33.0 550 115 D K H 3<5S+ 0 0 177 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.841 109.9 49.9 -62.1 -32.6 38.4 40.6 33.0 551 116 D E T 3<5S- 0 0 105 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.561 117.0-115.6 -81.8 -8.9 35.3 41.4 30.9 552 117 D G T < 5 + 0 0 49 -3,-1.1 2,-1.8 -4,-0.5 -3,-0.2 0.644 61.8 153.7 82.7 15.0 33.1 39.5 33.3 553 118 D D >< + 0 0 21 -5,-2.7 4,-1.6 1,-0.2 3,-0.3 -0.551 15.6 176.5 -80.9 80.6 32.2 36.9 30.6 554 119 D K H > S+ 0 0 37 -2,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.869 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118.0 38.7 -66.3 -49.3 14.0 5.0 49.3 761 36 F V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.844 113.9 55.7 -72.5 -29.8 11.5 7.8 49.9 762 37 F H H X S+ 0 0 29 -4,-2.9 4,-1.0 -5,-0.3 -1,-0.2 0.921 114.4 41.5 -64.0 -41.8 13.7 10.3 48.1 763 38 F K H X S+ 0 0 95 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.893 116.1 48.4 -70.5 -43.8 13.7 7.9 45.1 764 39 F A H X S+ 0 0 29 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.903 107.7 53.7 -65.6 -45.4 9.9 7.1 45.4 765 40 F T H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.829 104.6 56.9 -61.7 -31.6 8.7 10.7 45.7 766 41 F E H X S+ 0 0 59 -4,-1.0 4,-1.6 -5,-0.2 -1,-0.2 0.933 107.1 47.1 -65.9 -43.8 10.6 11.5 42.5 767 42 F E H X S+ 0 0 101 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.896 112.2 53.0 -63.1 -37.8 8.7 8.9 40.6 768 43 F I H X S+ 0 0 28 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.932 109.7 44.2 -65.3 -48.3 5.5 10.1 42.1 769 44 F Y H X S+ 0 0 10 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.775 108.7 58.9 -71.4 -20.5 5.9 13.8 41.2 770 45 F E H X S+ 0 0 83 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.886 107.4 48.7 -68.3 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