==== 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 03-JUL-99 1QUT . COMPND 2 MOLECULE: LYTIC MUREIN TRANSGLYCOSYLASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.J.VAN ASSELT,A.J.DIJKSTRA,K.H.KALK,B.TAKACS,W.KECK,B.W.DIJ . 312 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 68.9 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 . 24 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 2 2 0 1 1 1 1 2 0 0 1 0 1 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 . 1 2 2 0 0 1 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 . 2 0 1 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 40 A M 0 0 147 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.8 28.0 32.4 -24.7 2 41 A V - 0 0 123 1,-0.0 0, 0.0 2,-0.0 0, 0.0 -0.703 360.0-159.2 -91.2 137.9 27.0 34.2 -21.5 3 42 A E + 0 0 139 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.867 14.4 175.5-119.5 94.7 23.6 35.8 -21.3 4 43 A P - 0 0 61 0, 0.0 33,-0.2 0, 0.0 -1,-0.1 0.875 16.5-166.0 -65.6 -36.5 23.4 38.5 -18.6 5 44 A Q > + 0 0 75 1,-0.1 3,-1.8 2,-0.1 -2,-0.0 0.840 22.3 162.1 50.6 42.2 19.8 39.4 -19.6 6 45 A H T 3 + 0 0 139 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.898 68.8 61.2 -55.2 -41.5 19.9 42.7 -17.6 7 46 A N T 3 S+ 0 0 145 1,-0.1 2,-1.3 2,-0.1 -1,-0.3 0.476 80.1 89.8 -66.3 -6.7 16.9 43.9 -19.5 8 47 A V < + 0 0 54 -3,-1.8 -1,-0.1 1,-0.2 32,-0.1 -0.715 44.5 141.1 -95.0 83.1 14.7 41.1 -18.2 9 48 A M + 0 0 97 -2,-1.3 2,-0.5 1,-0.1 -1,-0.2 0.595 52.4 68.3 -97.4 -18.0 13.4 42.9 -15.1 10 49 A Q - 0 0 120 -3,-0.3 2,-0.2 7,-0.0 -1,-0.1 -0.933 66.7-160.9-114.8 120.8 9.8 41.6 -15.2 11 50 A M - 0 0 14 -2,-0.5 30,-0.1 5,-0.2 2,-0.1 -0.542 7.1-139.1 -93.5 160.0 9.0 37.9 -14.5 12 51 A G + 0 0 39 -2,-0.2 3,-0.5 28,-0.1 -1,-0.1 -0.069 52.8 70.5 -99.8-158.5 5.8 36.0 -15.4 13 52 A G S > S- 0 0 53 1,-0.2 3,-0.9 2,-0.1 4,-0.2 -0.410 101.7 -34.1 88.2-161.6 3.9 33.4 -13.5 14 53 A D T 3 S+ 0 0 89 32,-0.9 -1,-0.2 30,-0.3 3,-0.2 0.648 139.1 42.9 -74.8 -17.6 1.6 33.6 -10.4 15 54 A F T > S+ 0 0 1 -3,-0.5 3,-1.9 28,-0.3 -1,-0.2 0.170 75.9 124.5-115.4 20.1 3.7 36.4 -8.8 16 55 A A T < S+ 0 0 17 -3,-0.9 -5,-0.2 1,-0.3 -1,-0.1 0.774 85.6 24.8 -48.0 -44.3 4.3 38.5 -11.9 17 56 A N T 3 S+ 0 0 148 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 -0.014 91.4 132.6-115.1 29.9 2.8 41.8 -10.6 18 57 A N <> - 0 0 14 -3,-1.9 4,-1.6 1,-0.2 3,-0.2 -0.739 43.3-161.0 -89.7 117.1 3.4 41.0 -6.9 19 58 A P H > S+ 0 0 86 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.862 91.8 55.8 -60.8 -40.1 5.1 43.8 -4.9 20 59 A N H > S+ 0 0 69 115,-0.3 4,-2.2 1,-0.2 5,-0.1 0.846 105.8 50.9 -63.1 -37.9 6.2 41.5 -2.1 21 60 A A H > S+ 0 0 0 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.891 108.5 51.3 -67.7 -41.2 8.1 39.2 -4.6 22 61 A Q H X S+ 0 0 35 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.859 110.9 48.7 -64.2 -36.9 9.9 42.1 -6.1 23 62 A Q H X S+ 0 0 134 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.925 111.8 49.6 -66.3 -46.2 11.0 43.2 -2.7 24 63 A F H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.911 108.5 51.9 -58.4 -47.4 12.1 39.7 -1.8 25 64 A I H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.891 109.5 51.1 -58.5 -39.9 14.1 39.4 -5.1 26 65 A D H X S+ 0 0 84 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.909 108.6 50.3 -65.8 -41.4 15.9 42.7 -4.2 27 66 A K H X>S+ 0 0 88 -4,-2.1 4,-2.7 1,-0.2 5,-0.5 0.879 110.4 49.7 -63.6 -41.2 16.8 41.5 -0.7 28 67 A M H X5S+ 0 0 0 -4,-2.1 6,-1.9 3,-0.2 4,-0.9 0.833 114.5 44.3 -68.2 -35.6 18.3 38.2 -2.0 29 68 A V H X5S+ 0 0 49 -4,-1.6 4,-1.7 4,-0.3 -2,-0.2 0.969 122.3 37.1 -71.5 -54.5 20.4 40.0 -4.6 30 69 A N H <5S+ 0 0 149 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.952 127.4 33.2 -62.1 -56.2 21.6 42.7 -2.2 31 70 A K H <5S+ 0 0 120 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.824 135.1 21.0 -75.2 -32.4 22.0 40.7 1.0 32 71 A H H < - 0 0 61 1,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.854 18.8-143.1 -92.9 120.0 21.4 36.9 -9.5 36 75 A R H > S+ 0 0 27 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.887 98.2 48.9 -48.6 -48.0 18.1 38.7 -10.1 37 76 A Q H > S+ 0 0 18 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 111.6 47.5 -61.9 -45.0 17.4 37.0 -13.5 38 77 A Q H > S+ 0 0 121 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.907 113.4 49.2 -62.9 -42.0 18.1 33.4 -12.2 39 78 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.894 109.0 52.5 -65.3 -40.5 15.9 34.1 -9.2 40 79 A Q H X S+ 0 0 6 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.829 105.6 54.6 -63.7 -36.9 13.1 35.5 -11.4 41 80 A E H < S+ 0 0 109 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.823 112.8 44.2 -66.1 -31.1 13.2 32.3 -13.5 42 81 A I H >X S+ 0 0 32 -4,-1.2 3,-1.9 -3,-0.2 4,-0.6 0.974 116.5 42.9 -75.7 -58.3 12.7 30.3 -10.3 43 82 A L H 3< S+ 0 0 0 -4,-2.9 -28,-0.3 1,-0.3 -29,-0.2 0.681 105.2 64.4 -63.1 -19.6 9.9 32.4 -8.8 44 83 A S T 3< S+ 0 0 39 -4,-1.6 -1,-0.3 -5,-0.2 -30,-0.3 0.724 104.5 48.3 -74.9 -20.2 8.2 32.7 -12.2 45 84 A Q T <4 S+ 0 0 102 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.565 90.6 106.7 -90.9 -15.1 7.8 28.9 -11.9 46 85 A A < - 0 0 1 -4,-0.6 -32,-0.9 -3,-0.2 2,-0.3 -0.415 64.0-138.0 -68.5 141.9 6.4 29.2 -8.3 47 86 A K - 0 0 85 -2,-0.1 2,-0.9 -34,-0.1 85,-0.2 -0.757 7.1-131.6-106.9 146.2 2.7 28.6 -7.9 48 87 A R - 0 0 83 -2,-0.3 2,-0.8 83,-0.1 81,-0.1 -0.868 28.8-157.7 -94.9 104.7 0.2 30.5 -5.7 49 88 A L >> - 0 0 33 -2,-0.9 4,-1.4 79,-0.3 3,-0.8 -0.784 16.7-166.9 -93.2 109.4 -1.7 27.8 -3.9 50 89 A D H 3> S+ 0 0 80 -2,-0.8 4,-2.4 1,-0.3 5,-0.2 0.812 89.9 62.0 -59.8 -31.2 -5.1 28.7 -2.6 51 90 A S H 3> S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.869 101.7 50.6 -64.4 -37.4 -5.1 25.5 -0.5 52 91 A V H <> S+ 0 0 0 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.877 112.2 46.7 -67.8 -38.1 -2.0 26.7 1.4 53 92 A L H X S+ 0 0 24 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.856 114.0 48.3 -71.8 -35.9 -3.7 30.1 2.1 54 93 A R H X S+ 0 0 153 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.891 111.5 49.8 -71.8 -38.3 -7.0 28.3 3.1 55 94 A L H < S+ 0 0 64 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.842 108.2 51.9 -69.8 -34.2 -5.1 25.9 5.4 56 95 A M H < S+ 0 0 7 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.683 111.6 48.8 -75.1 -19.6 -3.2 28.6 7.2 57 96 A D H < S+ 0 0 106 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.843 101.0 62.5 -84.6 -38.5 -6.5 30.4 7.9 58 97 A N < 0 0 132 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.554 360.0 360.0 -63.5 -9.2 -8.2 27.3 9.2 59 98 A Q 0 0 166 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.229 360.0 360.0-132.0 360.0 -5.6 27.3 12.0 60 ! 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 61 109 A G 0 0 83 0, 0.0 2,-0.0 0, 0.0 209,-0.0 0.000 360.0 360.0 360.0 132.7 -17.1 17.5 26.8 62 110 A P + 0 0 55 0, 0.0 213,-0.1 0, 0.0 209,-0.0 0.055 360.0 144.1 -64.3 112.8 -15.9 15.1 28.0 63 111 A N S S- 0 0 92 211,-0.0 210,-0.1 210,-0.0 208,-0.0 0.359 75.4 -94.4-104.6 0.7 -16.7 14.0 24.4 64 112 A G > + 0 0 6 210,-0.2 4,-1.8 208,-0.1 3,-0.1 0.678 67.5 155.9 93.6 23.0 -13.6 11.8 24.0 65 113 A A H > S+ 0 0 29 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.888 71.4 46.6 -44.4 -60.5 -11.3 14.4 22.3 66 114 A W H > S+ 0 0 5 204,-0.7 4,-3.2 1,-0.2 3,-0.4 0.897 108.9 55.6 -53.8 -46.3 -8.0 12.8 23.3 67 115 A L H > S+ 0 0 81 203,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.886 106.5 50.2 -56.6 -42.7 -9.1 9.3 22.3 68 116 A R H < S+ 0 0 129 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.824 116.0 42.4 -64.9 -34.6 -9.9 10.4 18.7 69 117 A Y H >< S+ 0 0 48 -4,-1.4 3,-1.3 -3,-0.4 4,-0.4 0.912 113.2 52.8 -76.0 -45.4 -6.5 12.1 18.4 70 118 A R H >X S+ 0 0 78 -4,-3.2 4,-3.0 1,-0.3 3,-1.7 0.897 104.5 53.8 -57.4 -48.2 -4.6 9.2 20.0 71 119 A K T 3< S+ 0 0 145 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.458 93.9 72.0 -72.0 -0.6 -6.0 6.5 17.7 72 120 A K T <4 S+ 0 0 129 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.703 119.7 14.3 -81.6 -22.7 -4.9 8.5 14.7 73 121 A F T <4 S+ 0 0 25 -3,-1.7 2,-1.3 -4,-0.4 -2,-0.2 0.703 114.4 70.1-119.5 -41.9 -1.3 7.5 15.5 74 122 A I < + 0 0 26 -4,-3.0 -1,-0.2 4,-0.1 3,-0.1 -0.700 68.0 126.7 -89.7 88.8 -1.3 4.7 18.1 75 123 A T S > S- 0 0 46 -2,-1.3 4,-2.9 1,-0.1 5,-0.3 -0.917 72.2-104.9-135.8 160.1 -2.6 1.7 16.1 76 124 A P H > S+ 0 0 94 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.959 120.7 50.8 -52.8 -50.7 -1.2 -1.8 15.5 77 125 A D H > S+ 0 0 90 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.845 114.4 43.7 -55.0 -40.9 -0.1 -0.9 12.0 78 126 A N H > S+ 0 0 7 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.910 113.5 49.2 -72.4 -43.6 1.8 2.2 13.2 79 127 A V H X S+ 0 0 18 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.839 111.0 51.8 -65.0 -33.1 3.4 0.6 16.2 80 128 A Q H X S+ 0 0 112 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.887 110.1 47.1 -72.5 -38.3 4.6 -2.3 14.1 81 129 A N H X S+ 0 0 32 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.819 108.1 57.5 -72.4 -28.8 6.2 0.0 11.5 82 130 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.825 103.7 52.5 -69.0 -33.4 7.8 2.0 14.4 83 131 A V H X S+ 0 0 23 -4,-1.2 4,-2.9 2,-0.2 5,-0.3 0.949 109.8 48.7 -65.6 -46.5 9.4 -1.2 15.6 84 132 A V H X S+ 0 0 84 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.903 112.7 46.7 -59.8 -45.6 10.9 -1.8 12.1 85 133 A F H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.901 112.8 51.2 -64.4 -41.1 12.2 1.8 11.8 86 134 A W H < S+ 0 0 14 -4,-2.2 -2,-0.2 2,-0.2 7,-0.2 0.955 113.8 41.9 -62.0 -51.4 13.7 1.5 15.3 87 135 A N H >< S+ 0 0 76 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.840 114.4 53.2 -67.0 -31.0 15.5 -1.7 14.7 88 136 A Q H 3< S+ 0 0 125 -4,-2.2 3,-0.3 -5,-0.3 -1,-0.2 0.934 120.8 30.8 -69.6 -44.4 16.6 -0.6 11.2 89 137 A Y T 3X S+ 0 0 47 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 -0.033 80.4 126.1-107.4 34.0 18.1 2.6 12.5 90 138 A E H <> S+ 0 0 65 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 0.785 71.0 54.5 -60.1 -33.6 19.2 1.4 16.0 91 139 A D H > S+ 0 0 134 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.942 111.3 43.8 -67.8 -46.7 22.8 2.5 15.5 92 140 A A H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.880 114.8 50.9 -65.5 -37.7 21.8 6.1 14.7 93 141 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 -7,-0.2 -2,-0.2 0.923 112.7 44.3 -66.5 -44.2 19.3 6.1 17.6 94 142 A N H X S+ 0 0 64 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.857 113.2 51.8 -68.8 -35.6 21.7 4.8 20.2 95 143 A R H X S+ 0 0 91 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.843 108.1 51.9 -69.7 -33.2 24.4 7.2 19.0 96 144 A A H X>S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 6,-0.8 0.808 106.3 54.6 -72.1 -32.4 22.0 10.1 19.3 97 145 A W H X5S+ 0 0 110 -4,-1.3 4,-1.7 3,-0.2 -2,-0.2 0.908 111.3 44.6 -66.4 -44.2 21.2 9.1 22.9 98 146 A Q H <5S+ 0 0 128 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.881 121.0 38.3 -67.9 -43.5 24.9 9.2 23.8 99 147 A V H <5S+ 0 0 74 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.906 134.4 19.0 -76.9 -41.8 25.6 12.5 22.1 100 148 A Y H <5S- 0 0 38 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.657 89.6-125.3-107.3 -19.0 22.4 14.3 22.9 101 149 A G << + 0 0 5 -4,-1.7 119,-0.5 -5,-0.5 -4,-0.2 0.526 66.0 134.4 84.6 3.0 20.7 12.6 25.8 102 150 A V - 0 0 0 -6,-0.8 -1,-0.3 117,-0.1 -2,-0.2 -0.804 53.9-127.7 -90.7 122.7 17.5 12.2 23.8 103 151 A P >> - 0 0 19 0, 0.0 4,-1.5 0, 0.0 3,-1.0 -0.366 14.8-115.9 -71.1 149.4 16.0 8.7 24.0 104 152 A P H 3> S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.831 111.7 57.9 -50.7 -44.3 15.1 6.4 21.0 105 153 A E H 3> S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 202,-0.1 0.823 105.6 50.6 -62.5 -30.3 11.4 6.4 21.8 106 154 A I H <> S+ 0 0 3 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.954 113.5 42.7 -72.5 -48.0 11.2 10.2 21.6 107 155 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 5,-0.2 0.839 116.7 49.2 -65.8 -35.0 12.9 10.4 18.2 108 156 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.902 111.3 49.8 -71.4 -39.4 10.9 7.4 17.0 109 157 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.884 111.7 47.9 -66.0 -40.2 7.7 9.0 18.2 110 158 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.957 115.6 42.3 -65.4 -53.5 8.5 12.4 16.5 111 159 A I H X S+ 0 0 0 -4,-2.1 6,-2.0 1,-0.2 4,-1.7 0.827 114.6 55.5 -64.7 -28.4 9.4 10.9 13.2 112 160 A G H X S+ 0 0 0 -4,-1.9 4,-1.6 4,-0.3 -2,-0.2 0.959 112.5 38.0 -68.5 -50.9 6.4 8.6 13.6 113 161 A V H < S+ 0 0 17 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.811 118.4 50.7 -71.2 -32.1 3.8 11.3 14.1 114 162 A E H < S- 0 0 42 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.967 138.0 -9.2 -72.0 -53.7 5.3 13.7 11.6 115 163 A T H X>S- 0 0 1 -4,-1.7 5,-3.0 60,-0.4 4,-1.2 0.251 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