==== 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 TRANSFERASE 12-SEP-99 1D0M . COMPND 2 MOLECULE: 35KD SOLUBLE LYTIC TRANSGLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.J.VAN ASSELT,K.H.KALK,B.W.DIJKSTRA . 312 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15225.0 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 . 22 7.1 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 40.4 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 1 2 1 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 3 1 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 . 3 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 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 0 140 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -91.4 27.7 31.8 -23.9 2 41 A V - 0 0 129 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.656 360.0-171.0 -79.4 119.2 27.4 34.2 -20.9 3 42 A E + 0 0 136 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 -0.811 16.0 167.3-115.8 89.2 23.8 35.6 -20.8 4 43 A P - 0 0 59 0, 0.0 33,-0.2 0, 0.0 -1,-0.2 0.917 19.3-166.6 -65.2 -42.1 23.6 38.4 -18.2 5 44 A Q > + 0 0 67 1,-0.1 3,-1.3 2,-0.1 -2,-0.1 0.901 16.6 169.8 52.7 48.3 20.2 39.6 -19.4 6 45 A H T 3 S+ 0 0 144 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.808 73.0 56.1 -56.2 -32.6 20.4 42.8 -17.4 7 46 A N T 3 S+ 0 0 140 1,-0.1 2,-2.1 2,-0.1 -1,-0.3 0.628 79.1 90.3 -77.2 -19.7 17.3 44.1 -19.3 8 47 A V < + 0 0 61 -3,-1.3 -1,-0.1 1,-0.2 3,-0.0 -0.571 46.8 147.6 -79.9 78.1 15.0 41.2 -18.5 9 48 A M + 0 0 100 -2,-2.1 2,-0.5 1,-0.1 -1,-0.2 0.419 47.4 75.7 -93.3 -2.2 13.7 42.9 -15.3 10 49 A Q - 0 0 119 -3,-0.2 2,-0.2 7,-0.0 -1,-0.1 -0.948 61.6-163.6-122.3 119.5 10.2 41.5 -15.5 11 50 A M - 0 0 14 -2,-0.5 2,-0.1 5,-0.2 30,-0.1 -0.551 7.2-147.0 -92.6 158.0 9.3 37.9 -14.5 12 51 A G + 0 0 39 -2,-0.2 3,-0.5 28,-0.2 -1,-0.1 -0.106 49.9 79.2-102.8-153.4 6.1 36.1 -15.3 13 52 A G S > S- 0 0 46 1,-0.2 3,-1.5 2,-0.1 32,-0.1 -0.147 100.2 -44.6 81.3-178.4 4.2 33.5 -13.3 14 53 A D T 3 S+ 0 0 90 32,-0.8 -1,-0.2 1,-0.2 33,-0.1 0.536 136.2 47.7 -66.9 -9.7 1.9 33.8 -10.4 15 54 A F T > S+ 0 0 0 -3,-0.5 3,-1.5 28,-0.3 -1,-0.2 0.289 75.5 115.2-116.6 13.9 4.1 36.4 -8.6 16 55 A A T < S+ 0 0 19 -3,-1.5 -5,-0.2 1,-0.3 2,-0.2 0.882 84.3 31.7 -47.8 -62.0 4.8 38.7 -11.5 17 56 A N T 3 S+ 0 0 156 -3,-0.1 -1,-0.3 -7,-0.1 -5,-0.0 -0.214 91.5 125.3 -96.0 44.1 3.1 41.9 -10.3 18 57 A N <> - 0 0 18 -3,-1.5 4,-1.4 -2,-0.2 5,-0.1 -0.917 47.2-162.0-107.8 115.3 3.8 41.1 -6.6 19 58 A P H > S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.859 91.8 57.3 -60.5 -38.8 5.7 43.9 -4.7 20 59 A N H > S+ 0 0 71 115,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 104.3 50.8 -61.7 -43.7 6.7 41.5 -2.0 21 60 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 111.0 49.1 -62.5 -38.6 8.4 39.1 -4.5 22 61 A Q H X S+ 0 0 39 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.900 111.3 48.8 -68.2 -41.8 10.4 42.1 -5.9 23 62 A Q H X S+ 0 0 132 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.897 112.5 49.4 -63.6 -40.4 11.4 43.3 -2.4 24 63 A F H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.897 109.5 50.9 -64.8 -43.6 12.5 39.7 -1.6 25 64 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.930 110.6 49.8 -60.2 -44.4 14.5 39.4 -4.8 26 65 A D H X S+ 0 0 85 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.924 110.8 50.2 -58.8 -46.6 16.2 42.7 -4.0 27 66 A K H X S+ 0 0 92 -4,-2.3 4,-2.9 1,-0.2 5,-0.5 0.937 110.1 48.9 -58.3 -50.7 17.0 41.5 -0.5 28 67 A M H X S+ 0 0 0 -4,-2.6 6,-1.9 3,-0.2 4,-1.4 0.829 114.5 45.5 -60.3 -37.3 18.5 38.2 -1.7 29 68 A V H X S+ 0 0 48 -4,-2.0 4,-1.9 4,-0.2 -2,-0.2 0.983 120.3 38.3 -67.8 -59.3 20.7 39.9 -4.3 30 69 A N H < S+ 0 0 147 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.948 124.9 36.9 -54.7 -59.3 21.9 42.6 -1.9 31 70 A K H < S+ 0 0 117 -4,-2.9 -3,-0.2 -5,-0.3 -1,-0.2 0.792 133.3 19.5 -70.5 -34.0 22.3 40.5 1.2 32 71 A H H < S- 0 0 48 -4,-1.4 -1,-0.2 -5,-0.5 -3,-0.2 0.366 100.9-107.4-124.2 6.1 23.5 37.2 -0.3 33 72 A G < + 0 0 63 -4,-1.9 -4,-0.2 1,-0.2 -3,-0.2 0.655 59.1 164.3 77.8 13.6 25.0 37.9 -3.7 34 73 A F - 0 0 22 -6,-1.9 2,-0.4 -7,-0.1 -1,-0.2 -0.397 40.6-119.1 -65.7 140.0 22.0 36.2 -5.5 35 74 A D > - 0 0 64 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.672 14.9-142.7 -81.8 131.6 21.7 37.1 -9.2 36 75 A R H > S+ 0 0 34 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.922 98.0 48.6 -60.9 -47.6 18.4 38.8 -9.9 37 76 A Q H > S+ 0 0 15 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.833 112.5 48.6 -63.5 -35.8 17.8 37.1 -13.3 38 77 A Q H > S+ 0 0 123 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.964 114.3 45.6 -67.9 -48.5 18.5 33.6 -11.9 39 78 A L H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 3,-0.3 0.889 110.9 53.4 -60.0 -42.2 16.2 34.2 -8.9 40 79 A Q H X S+ 0 0 6 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.870 105.8 53.3 -61.8 -39.0 13.5 35.7 -11.2 41 80 A E H < S+ 0 0 105 -4,-1.6 4,-0.3 2,-0.2 -1,-0.2 0.818 112.7 45.9 -65.9 -29.6 13.6 32.5 -13.4 42 81 A I H >< S+ 0 0 36 -4,-1.4 3,-1.5 -3,-0.3 4,-0.3 0.956 114.5 44.6 -76.1 -53.0 13.1 30.5 -10.2 43 82 A L H 3< S+ 0 0 0 -4,-3.0 -28,-0.3 1,-0.3 3,-0.3 0.651 103.9 65.1 -68.0 -15.7 10.3 32.6 -8.7 44 83 A S T 3< S+ 0 0 42 -4,-1.4 -1,-0.3 -5,-0.2 -30,-0.2 0.706 103.8 47.5 -78.4 -19.3 8.6 32.7 -12.2 45 84 A Q S < S+ 0 0 96 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.440 91.4 107.7 -94.8 -7.0 8.1 29.0 -11.9 46 85 A A - 0 0 2 -4,-0.3 -32,-0.8 -3,-0.3 2,-0.4 -0.498 62.6-142.2 -71.8 145.2 6.8 29.4 -8.3 47 86 A K - 0 0 92 -2,-0.2 2,-1.0 -34,-0.1 85,-0.3 -0.911 9.9-131.8-117.4 137.7 3.0 28.8 -7.9 48 87 A R - 0 0 94 -2,-0.4 2,-0.8 83,-0.1 81,-0.1 -0.776 27.9-161.2 -86.3 102.9 0.5 30.6 -5.7 49 88 A L >> - 0 0 42 -2,-1.0 4,-0.8 79,-0.4 3,-0.8 -0.821 12.3-165.2 -92.1 109.3 -1.3 27.7 -4.0 50 89 A D H 3> S+ 0 0 72 -2,-0.8 4,-2.4 1,-0.2 3,-0.4 0.799 87.9 63.2 -61.3 -32.0 -4.6 28.9 -2.6 51 90 A S H 3> S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.837 97.3 55.9 -63.4 -33.5 -4.9 25.7 -0.5 52 91 A V H <> S+ 0 0 1 -3,-0.8 4,-1.0 1,-0.2 -1,-0.2 0.831 111.1 45.6 -67.7 -29.3 -1.7 26.7 1.4 53 92 A L H X S+ 0 0 26 -4,-0.8 4,-1.4 -3,-0.4 -2,-0.2 0.876 112.6 48.4 -79.0 -41.8 -3.5 29.9 2.3 54 93 A R H X S+ 0 0 155 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.893 112.7 50.1 -66.4 -37.8 -6.8 28.3 3.2 55 94 A L H < S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.800 108.3 50.7 -70.9 -33.1 -5.0 25.7 5.4 56 95 A M H >< S+ 0 0 12 -4,-1.0 3,-0.8 1,-0.2 -1,-0.2 0.800 110.0 51.2 -75.9 -28.8 -2.9 28.3 7.3 57 96 A D H 3< S+ 0 0 103 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.887 103.6 57.8 -72.3 -39.9 -6.1 30.3 8.1 58 97 A N T 3< 0 0 131 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.339 360.0 360.0 -72.7 7.1 -7.9 27.2 9.4 59 98 A Q < 0 0 181 -3,-0.8 -1,-0.2 0, 0.0 -2,-0.2 0.453 360.0 360.0-133.6 360.0 -5.0 26.8 11.9 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 86 0, 0.0 2,-0.1 0, 0.0 209,-0.0 0.000 360.0 360.0 360.0 123.4 -17.2 17.9 25.2 62 110 A P + 0 0 61 0, 0.0 213,-0.1 0, 0.0 209,-0.0 0.225 360.0 139.3 -68.3 125.5 -16.2 15.4 26.5 63 111 A N S S- 0 0 86 -2,-0.1 210,-0.1 211,-0.1 207,-0.0 0.156 76.8 -95.6-124.3 13.9 -16.6 14.0 23.0 64 112 A G > + 0 0 6 210,-0.1 4,-1.4 208,-0.1 207,-0.1 0.844 66.0 156.1 73.3 37.8 -13.4 11.8 22.8 65 113 A A H > S+ 0 0 29 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.882 71.3 50.5 -61.0 -47.0 -11.2 14.3 21.1 66 114 A W H > S+ 0 0 5 204,-1.0 4,-2.8 1,-0.2 3,-0.5 0.945 107.8 54.4 -58.1 -48.2 -7.9 12.9 22.3 67 115 A L H > S+ 0 0 74 203,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.824 106.2 51.7 -55.6 -37.3 -8.9 9.4 21.2 68 116 A R H < S+ 0 0 123 -4,-1.4 -1,-0.2 2,-0.2 4,-0.2 0.840 114.1 42.5 -69.7 -35.2 -9.6 10.6 17.6 69 117 A Y H >< S+ 0 0 52 -4,-1.4 3,-0.9 -3,-0.5 4,-0.4 0.881 113.9 52.7 -76.4 -41.1 -6.2 12.2 17.3 70 118 A R H >X S+ 0 0 77 -4,-2.8 4,-3.0 1,-0.2 3,-1.6 0.890 101.1 57.9 -62.3 -45.4 -4.4 9.3 19.0 71 119 A K T 3< S+ 0 0 146 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.610 95.5 68.1 -65.4 -9.3 -5.8 6.6 16.7 72 120 A K T <4 S+ 0 0 110 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.756 119.1 16.9 -78.9 -25.2 -4.3 8.5 13.8 73 121 A F T <4 S+ 0 0 17 -3,-1.6 2,-0.9 -4,-0.4 -2,-0.2 0.696 116.1 66.1-117.8 -32.5 -0.8 7.6 15.0 74 122 A I < + 0 0 24 -4,-3.0 -1,-0.1 4,-0.1 3,-0.1 -0.727 65.6 124.2-103.1 88.2 -1.1 4.7 17.5 75 123 A T S > S- 0 0 49 -2,-0.9 4,-2.8 -3,-0.1 5,-0.3 -0.849 73.5-101.5-133.6 165.2 -2.3 1.6 15.7 76 124 A P H > S+ 0 0 93 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.960 123.2 51.1 -54.4 -48.2 -0.8 -1.9 15.4 77 125 A D H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.914 113.3 44.4 -53.3 -51.0 0.4 -1.1 11.9 78 126 A N H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 113.5 48.2 -62.2 -48.9 2.2 2.1 13.0 79 127 A V H X S+ 0 0 20 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.890 113.1 50.4 -59.6 -39.5 3.7 0.6 16.2 80 128 A Q H X S+ 0 0 118 -4,-2.8 4,-1.9 -5,-0.3 3,-0.3 0.925 110.7 47.7 -64.9 -45.1 4.9 -2.4 14.1 81 129 A N H X S+ 0 0 32 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.848 109.1 56.4 -65.0 -32.2 6.5 -0.0 11.5 82 130 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.827 104.6 51.1 -68.5 -33.5 8.0 1.9 14.4 83 131 A V H X S+ 0 0 24 -4,-1.5 4,-2.5 -3,-0.3 5,-0.3 0.926 109.4 50.7 -67.8 -45.4 9.8 -1.2 15.6 84 132 A V H X S+ 0 0 79 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.936 111.6 47.7 -57.3 -47.8 11.2 -1.9 12.2 85 133 A F H X S+ 0 0 9 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.861 110.5 53.0 -62.4 -38.1 12.5 1.6 11.9 86 134 A W H < S+ 0 0 16 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.931 113.4 40.7 -64.9 -46.5 14.0 1.3 15.4 87 135 A N H >< S+ 0 0 81 -4,-2.5 3,-0.9 1,-0.2 4,-0.2 0.869 112.6 55.9 -69.7 -37.7 16.0 -1.9 14.7 88 136 A Q H 3< S+ 0 0 121 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.845 122.2 27.3 -63.4 -34.6 17.0 -0.7 11.2 89 137 A Y T 3X S+ 0 0 46 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.027 80.3 128.5-119.5 30.1 18.6 2.5 12.7 90 138 A E H <> S+ 0 0 67 -3,-0.9 4,-2.6 1,-0.2 5,-0.2 0.816 73.9 50.9 -54.7 -39.1 19.5 1.3 16.1 91 139 A D H > S+ 0 0 131 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.935 111.3 47.3 -66.8 -46.1 23.1 2.5 15.9 92 140 A A H > S+ 0 0 7 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.903 115.6 46.3 -61.0 -41.9 22.1 6.0 14.8 93 141 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 -7,-0.2 -2,-0.2 0.902 113.6 47.2 -68.3 -42.8 19.5 6.1 17.6 94 142 A N H X S+ 0 0 47 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.867 112.3 51.0 -66.0 -37.0 21.9 4.8 20.3 95 143 A R H X S+ 0 0 96 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.807 108.9 50.3 -71.0 -31.6 24.6 7.2 19.1 96 144 A A H X>S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.7 0.850 108.0 55.1 -72.8 -33.6 22.1 10.2 19.3 97 145 A W H X5S+ 0 0 113 -4,-1.7 4,-1.0 4,-0.2 -2,-0.2 0.890 111.7 42.9 -63.7 -42.5 21.2 9.0 22.8 98 146 A Q H <5S+ 0 0 146 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.870 120.4 40.5 -72.4 -40.2 24.9 9.2 23.9 99 147 A V H <5S+ 0 0 77 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.871 134.7 15.6 -78.7 -39.7 25.7 12.5 22.2 100 148 A Y H <5S- 0 0 41 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.597 91.9-125.6-112.0 -17.3 22.6 14.4 22.9 101 149 A G << + 0 0 5 -4,-1.0 119,-0.3 -5,-0.7 -4,-0.2 0.705 63.3 135.8 78.8 17.7 20.9 12.5 25.7 102 150 A V - 0 0 0 -6,-0.7 -1,-0.3 117,-0.1 -2,-0.2 -0.908 55.5-121.7-102.5 120.2 17.6 12.2 23.8 103 151 A P >> - 0 0 20 0, 0.0 4,-1.4 0, 0.0 3,-1.4 -0.301 14.9-117.8 -64.2 144.3 16.1 8.6 24.0 104 152 A P H 3> S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.780 111.3 60.5 -48.9 -37.5 15.4 6.5 20.9 105 153 A E H 3> S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 202,-0.1 0.846 103.3 50.5 -64.7 -33.2 11.7 6.4 21.7 106 154 A I H <> S+ 0 0 4 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.918 114.3 42.9 -71.3 -41.6 11.3 10.1 21.5 107 155 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.890 115.4 49.7 -71.3 -39.0 13.1 10.3 18.1 108 156 A V H X S+ 0 0 0 -4,-2.8 4,-1.3 -5,-0.2 -2,-0.2 0.875 112.8 48.9 -65.8 -35.7 11.1 7.3 16.9 109 157 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.932 111.8 47.6 -69.7 -45.7 8.0 9.0 18.1 110 158 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.975 114.9 43.9 -58.2 -59.8 8.8 12.3 16.4 111 159 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 6,-1.8 0.793 113.9 54.8 -59.7 -25.0 9.7 10.8 13.0 112 160 A G H X S+ 0 0 0 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.2 0.939 111.5 39.5 -73.6 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