==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 18-JUL-10 3O02 . COMPND 2 MOLECULE: CELL INVASION PROTEIN SIPD; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR S.CHATTERJEE,D.ZHONG,B.A.NORDHUES,K.P.BATTAILE,S.LOVELL,R.N. . 550 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 79.1 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 . 40 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 20 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 326 59.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 2 2 1 1 2 0 1 0 0 0 1 3 0 1 0 0 0 0 0 2 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 . 2 2 2 4 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 2 2 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 36 A G 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.9 -2.1 -22.3 0.7 2 37 A H + 0 0 158 2,-0.1 2,-0.7 0, 0.0 0, 0.0 0.454 360.0 101.7-103.8 -8.8 -0.7 -22.8 4.2 3 38 A M - 0 0 127 2,-0.0 2,-0.1 340,-0.0 337,-0.0 -0.720 61.8-152.3 -84.8 109.7 1.3 -26.0 3.5 4 39 A E - 0 0 126 -2,-0.7 -2,-0.1 336,-0.1 3,-0.1 -0.432 16.9-176.2 -82.7 157.5 5.0 -25.1 3.2 5 40 A H > + 0 0 68 -2,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.354 18.4 155.6-151.8 60.7 7.4 -27.1 1.1 6 41 A R H > S+ 0 0 71 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.895 71.7 60.2 -53.9 -47.9 10.9 -25.7 1.5 7 42 A G H > S+ 0 0 6 337,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.921 108.7 40.5 -50.2 -52.8 12.6 -29.0 0.6 8 43 A T H > S+ 0 0 19 336,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.858 113.8 54.5 -70.3 -33.0 11.2 -29.2 -2.9 9 44 A D H X S+ 0 0 24 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.921 108.9 49.1 -60.5 -44.5 11.6 -25.5 -3.5 10 45 A I H X S+ 0 0 35 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.900 112.1 48.0 -64.9 -41.9 15.3 -25.8 -2.6 11 46 A I H X S+ 0 0 10 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.941 114.9 44.9 -61.6 -51.6 15.7 -28.7 -5.0 12 47 A S H X S+ 0 0 11 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.912 115.5 46.2 -60.5 -45.2 13.9 -27.0 -7.9 13 48 A L H X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.881 113.2 49.7 -66.1 -39.5 15.7 -23.6 -7.5 14 49 A S H X S+ 0 0 40 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.860 108.5 53.4 -67.7 -40.1 19.1 -25.3 -7.1 15 50 A Q H X S+ 0 0 43 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.941 112.6 44.0 -57.1 -48.9 18.4 -27.4 -10.3 16 51 A A H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.955 111.9 52.4 -64.4 -50.4 17.6 -24.2 -12.2 17 52 A A H X S+ 0 0 12 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.889 110.8 49.8 -47.0 -45.2 20.7 -22.3 -10.7 18 53 A T H X S+ 0 0 51 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.951 111.8 45.2 -64.7 -49.5 22.9 -25.2 -11.8 19 54 A K H X S+ 0 0 34 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.906 114.6 48.6 -63.8 -40.0 21.6 -25.3 -15.4 20 55 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.924 111.3 50.5 -65.1 -44.7 21.8 -21.5 -15.7 21 56 A H H X S+ 0 0 82 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.897 110.4 49.7 -60.7 -41.1 25.4 -21.5 -14.3 22 57 A Q H X S+ 0 0 28 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.931 112.2 46.8 -63.7 -46.5 26.4 -24.3 -16.8 23 58 A A H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.923 112.2 51.6 -59.9 -43.3 25.0 -22.4 -19.8 24 59 A Q H X S+ 0 0 36 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.909 107.1 53.0 -61.5 -42.8 26.6 -19.2 -18.6 25 60 A Q H X S+ 0 0 134 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.901 111.0 46.4 -58.9 -43.6 30.0 -20.9 -18.3 26 61 A T H X S+ 0 0 41 -4,-1.9 4,-2.7 2,-0.2 3,-0.5 0.937 112.7 48.7 -62.7 -47.5 29.7 -22.1 -21.9 27 62 A L H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.783 115.4 45.3 -71.6 -25.0 28.6 -18.7 -23.2 28 63 A Q H < S+ 0 0 100 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.687 123.0 33.2 -84.8 -19.6 31.5 -17.0 -21.4 29 64 A S H < S+ 0 0 88 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.2 0.651 98.3 81.3-111.4 -23.4 34.2 -19.5 -22.4 30 65 A T S < S- 0 0 16 -4,-2.7 -1,-0.1 -5,-0.2 -4,-0.0 -0.774 71.0-142.3 -92.1 113.1 33.3 -20.7 -25.9 31 66 A P - 0 0 65 0, 0.0 2,-1.7 0, 0.0 3,-0.3 -0.479 17.0-125.2 -76.3 146.2 34.4 -18.3 -28.7 32 67 A P S S+ 0 0 7 0, 0.0 68,-0.1 0, 0.0 3,-0.1 -0.407 73.9 119.5 -84.5 57.6 31.9 -18.0 -31.6 33 68 A I + 0 0 62 -2,-1.7 2,-0.3 1,-0.1 3,-0.1 0.395 67.2 27.0-110.9 0.2 34.6 -18.9 -34.1 34 69 A S S > S- 0 0 33 -3,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.976 78.3-109.4-158.0 159.2 33.3 -22.1 -35.8 35 70 A E H > S+ 0 0 154 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.890 119.5 53.6 -60.7 -41.5 30.0 -23.9 -36.5 36 71 A E H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 110.3 47.3 -56.6 -50.2 30.9 -26.5 -33.8 37 72 A N H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.914 112.3 48.4 -60.8 -44.2 31.5 -23.8 -31.2 38 73 A N H X S+ 0 0 16 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.811 106.5 56.9 -69.8 -28.7 28.3 -22.0 -32.1 39 74 A D H X S+ 0 0 99 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.900 108.3 48.6 -59.9 -44.4 26.3 -25.2 -31.9 40 75 A E H X S+ 0 0 78 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.877 113.0 47.0 -62.1 -42.5 27.6 -25.6 -28.3 41 76 A R H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.916 112.4 49.1 -68.0 -43.8 26.6 -22.0 -27.5 42 77 A T H X S+ 0 0 65 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.916 110.9 50.8 -61.2 -42.2 23.1 -22.4 -29.1 43 78 A L H X S+ 0 0 74 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.897 106.0 56.4 -61.9 -43.1 22.6 -25.7 -27.1 44 79 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.914 108.0 46.7 -55.1 -44.5 23.6 -23.9 -23.9 45 80 A R H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.863 109.8 53.4 -67.2 -36.2 20.8 -21.3 -24.5 46 81 A Q H X S+ 0 0 108 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.914 110.1 49.4 -59.1 -43.5 18.4 -24.2 -25.2 47 82 A Q H X S+ 0 0 68 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.906 110.0 50.5 -61.1 -41.3 19.4 -25.7 -21.9 48 83 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.957 112.2 45.5 -63.1 -48.8 18.9 -22.4 -20.0 49 84 A T H X S+ 0 0 18 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.901 110.5 53.7 -68.4 -33.6 15.4 -21.8 -21.4 50 85 A S H X S+ 0 0 65 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.881 107.0 53.7 -62.4 -37.1 14.4 -25.5 -20.7 51 86 A S H X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.881 108.7 47.6 -63.8 -38.6 15.5 -24.9 -17.1 52 87 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.834 110.5 51.7 -71.2 -39.0 13.2 -21.8 -16.8 53 88 A N H X S+ 0 0 65 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.914 112.5 46.9 -58.4 -47.3 10.3 -23.7 -18.3 54 89 A A H >< S+ 0 0 63 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.912 112.4 49.4 -61.0 -42.9 10.9 -26.4 -15.7 55 90 A L H ><>S+ 0 0 4 -4,-2.2 3,-1.5 1,-0.2 5,-0.5 0.904 104.1 59.5 -65.4 -42.1 11.2 -23.8 -12.9 56 91 A A H 3<5S+ 0 0 33 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.745 109.8 43.4 -54.5 -29.4 8.0 -22.1 -14.0 57 92 A K T <<5S+ 0 0 188 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.439 93.6 86.9 -95.6 -5.0 6.1 -25.5 -13.4 58 93 A S T < 5S- 0 0 32 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.683 95.0-119.0 -77.1 -25.8 7.8 -26.2 -10.1 59 94 A G T 5 + 0 0 51 -4,-0.4 2,-0.1 1,-0.4 -3,-0.1 0.411 61.2 145.2 98.6 -3.5 5.6 -24.3 -7.7 60 95 A V < - 0 0 18 -5,-0.5 -1,-0.4 -52,-0.1 2,-0.3 -0.503 39.1-145.4 -65.6 138.2 8.3 -22.0 -6.4 61 96 A S - 0 0 94 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.0 -0.824 4.4-140.1-108.0 150.1 6.7 -18.6 -5.6 62 97 A L - 0 0 32 -2,-0.3 2,-0.1 1,-0.1 209,-0.0 -0.762 16.7-118.3-108.0 154.0 8.3 -15.2 -6.1 63 98 A S > - 0 0 52 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.308 32.5-104.8 -77.9 169.7 8.2 -12.2 -3.8 64 99 A A H > S+ 0 0 85 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.845 124.6 53.5 -61.4 -36.2 6.7 -8.9 -5.0 65 100 A E H > S+ 0 0 136 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.884 111.2 44.6 -64.5 -41.7 10.3 -7.6 -5.2 66 101 A Q H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 109.3 54.5 -71.3 -44.9 11.4 -10.5 -7.5 67 102 A N H X S+ 0 0 45 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.873 113.1 45.4 -54.6 -39.2 8.3 -10.3 -9.7 68 103 A E H X S+ 0 0 109 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.903 108.3 53.6 -75.7 -42.6 9.2 -6.7 -10.3 69 104 A N H X S+ 0 0 72 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.884 114.5 45.5 -53.3 -40.9 12.9 -7.2 -10.9 70 105 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.926 109.6 51.3 -72.9 -47.8 11.9 -9.8 -13.5 71 106 A R H < S+ 0 0 136 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.905 115.4 43.9 -54.5 -43.2 9.2 -7.7 -15.3 72 107 A S H < S+ 0 0 92 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.892 114.3 46.8 -75.0 -39.2 11.5 -4.7 -15.6 73 108 A A H < 0 0 36 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.809 360.0 360.0 -70.7 -30.0 14.6 -6.7 -16.8 74 109 A F < 0 0 25 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.432 360.0 360.0-114.9 360.0 12.7 -8.7 -19.3 75 ! 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 76 134 A I > 0 0 67 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -43.9 6.1 -14.2 -15.4 77 135 A W H > + 0 0 19 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.789 360.0 50.1 -65.0 -28.9 8.6 -17.1 -15.9 78 136 A D H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.812 109.9 50.1 -81.8 -31.0 7.1 -17.8 -19.3 79 137 A M H > S+ 0 0 60 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.894 112.3 48.7 -65.9 -41.5 7.4 -14.2 -20.3 80 138 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.957 112.4 46.9 -61.7 -50.9 11.1 -14.3 -19.1 81 139 A S H X S+ 0 0 9 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.901 113.7 49.9 -58.4 -43.6 11.8 -17.5 -21.1 82 140 A Q H X S+ 0 0 143 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.932 113.4 43.9 -58.6 -50.5 10.1 -16.0 -24.1 83 141 A N H X S+ 0 0 67 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.904 115.9 46.1 -67.4 -44.3 12.1 -12.7 -24.0 84 142 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.866 110.6 54.9 -67.1 -34.9 15.5 -14.3 -23.3 85 143 A S H X S+ 0 0 34 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.895 107.8 49.5 -59.5 -46.6 14.8 -16.9 -26.1 86 144 A A H X S+ 0 0 51 -4,-1.7 4,-3.1 2,-0.2 5,-0.4 0.908 112.4 46.2 -62.9 -46.5 14.2 -14.1 -28.6 87 145 A I H X>S+ 0 0 23 -4,-1.9 5,-2.5 2,-0.2 4,-1.4 0.914 113.5 49.5 -64.7 -40.6 17.4 -12.2 -27.7 88 146 A G H <>S+ 0 0 1 -4,-2.4 5,-2.1 3,-0.2 -2,-0.2 0.959 121.6 34.9 -63.2 -46.0 19.5 -15.4 -27.8 89 147 A D H <5S+ 0 0 100 -4,-2.5 -2,-0.2 3,-0.2 -3,-0.2 0.919 127.8 29.8 -74.0 -49.4 18.1 -16.4 -31.2 90 148 A S H <5S+ 0 0 81 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.476 133.1 21.3 -99.7 -8.3 17.6 -13.1 -33.1 91 149 A Y T X5S+ 0 0 64 -4,-1.4 4,-2.2 -5,-0.4 -3,-0.2 0.590 129.4 32.0-122.0 -70.0 20.4 -10.9 -31.6 92 150 A L H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.965 109.4 49.9 -65.4 -52.9 23.2 -13.5 -35.4 95 153 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.851 107.8 54.9 -51.5 -38.7 26.3 -12.0 -33.8 96 154 A E H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.934 109.7 46.3 -61.3 -45.8 27.8 -15.5 -33.3 97 155 A N H X S+ 0 0 32 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.912 108.8 56.5 -61.0 -42.1 27.3 -16.2 -37.0 98 156 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.948 110.8 43.3 -56.2 -50.2 28.8 -12.8 -37.9 99 157 A V H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.911 113.7 49.6 -62.6 -45.2 32.0 -13.7 -36.0 100 158 A A H X S+ 0 0 11 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.927 115.0 44.1 -64.3 -43.1 32.3 -17.3 -37.3 101 159 A V H X S+ 0 0 12 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.962 116.6 46.6 -65.6 -48.9 31.9 -16.2 -40.9 102 160 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.828 107.2 59.1 -60.7 -34.3 34.3 -13.3 -40.5 103 161 A T H X S+ 0 0 41 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.931 109.5 41.3 -59.1 -49.4 36.8 -15.4 -38.7 104 162 A D H X S+ 0 0 97 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.874 114.4 51.7 -72.6 -38.8 37.2 -17.8 -41.6 105 163 A F H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.965 112.0 47.8 -55.9 -52.1 37.2 -15.0 -44.3 106 164 A Y H X S+ 0 0 29 -4,-2.9 4,-2.8 1,-0.3 -2,-0.2 0.864 108.9 53.7 -62.0 -38.3 39.9 -13.2 -42.3 107 165 A Q H X S+ 0 0 102 -4,-2.3 4,-2.3 2,-0.2 -1,-0.3 0.898 105.4 53.8 -59.6 -42.2 41.9 -16.4 -42.0 108 166 A A H X S+ 0 0 23 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.901 110.9 46.8 -59.1 -40.3 41.7 -16.8 -45.8 109 167 A F H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.912 109.3 53.5 -64.7 -46.1 43.2 -13.2 -46.1 110 168 A S H X S+ 0 0 39 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.885 103.6 57.5 -55.6 -42.2 45.9 -14.0 -43.5 111 169 A D H < S+ 0 0 80 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.918 107.6 47.6 -58.0 -43.6 46.9 -17.1 -45.6 112 170 A I H >< S+ 0 0 15 -4,-1.4 3,-2.1 1,-0.2 4,-0.4 0.949 108.6 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