==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 23-APR-96 1GTO . COMPND 2 MOLECULE: ROP; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.AGRAWAL,P.PREDKI,L.REGAN,A.T.BRUNGER . 176 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 87.5 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 . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 81.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 1 1 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 . 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 1 A G > 0 0 64 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-163.7 43.7 -8.0 -20.7 2 2 A T H > + 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.789 360.0 59.5 -64.7 -27.9 44.1 -10.7 -18.1 3 3 A K H > S+ 0 0 151 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.916 110.3 42.1 -66.4 -41.0 46.8 -8.6 -16.5 4 4 A Q H > S+ 0 0 144 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.837 112.7 54.1 -74.0 -33.9 44.2 -5.9 -16.0 5 5 A E H X S+ 0 0 71 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.921 110.6 44.9 -66.0 -46.1 41.5 -8.5 -14.9 6 6 A K H X S+ 0 0 56 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.871 111.3 54.9 -66.3 -35.8 43.8 -9.9 -12.2 7 7 A T H X S+ 0 0 62 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.908 110.2 45.8 -62.8 -42.6 44.7 -6.4 -11.1 8 8 A A H X S+ 0 0 41 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.844 112.0 50.6 -69.6 -37.7 41.0 -5.5 -10.7 9 9 A L H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.902 111.0 49.7 -66.3 -41.3 40.3 -8.8 -8.8 10 10 A N H X S+ 0 0 85 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.874 109.3 52.0 -64.6 -38.6 43.2 -8.1 -6.5 11 11 A M H X S+ 0 0 110 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.905 108.9 49.8 -64.8 -41.5 41.9 -4.6 -5.9 12 12 A A H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 37,-0.2 0.909 112.8 47.1 -62.5 -43.7 38.5 -5.9 -5.0 13 13 A R H X S+ 0 0 61 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.913 112.9 49.8 -63.5 -43.1 40.1 -8.4 -2.6 14 14 A F H X S+ 0 0 124 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.925 109.7 49.4 -62.5 -47.2 42.3 -5.6 -1.1 15 15 A I H X S+ 0 0 76 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.883 108.9 53.6 -61.0 -37.7 39.4 -3.2 -0.6 16 16 A R H X S+ 0 0 5 -4,-1.9 4,-1.4 29,-0.2 -1,-0.2 0.929 111.8 45.9 -62.6 -42.1 37.4 -6.0 1.1 17 17 A S H X S+ 0 0 45 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.898 111.0 51.5 -66.5 -46.5 40.4 -6.5 3.5 18 18 A Q H X S+ 0 0 105 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.857 108.2 51.5 -61.1 -38.3 40.8 -2.7 4.1 19 19 A T H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.852 109.1 51.7 -68.5 -33.7 37.2 -2.3 5.0 20 20 A L H X S+ 0 0 4 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.931 111.8 45.7 -66.9 -46.1 37.5 -5.2 7.5 21 21 A T H X S+ 0 0 39 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.880 112.8 50.2 -64.4 -39.7 40.5 -3.6 9.1 22 22 A L H X S+ 0 0 82 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.902 107.0 55.3 -66.2 -38.9 38.8 -0.2 9.2 23 23 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.914 107.9 49.4 -59.1 -42.5 35.8 -1.8 10.8 24 24 A E H X S+ 0 0 12 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.929 111.8 47.9 -61.4 -47.9 38.0 -3.2 13.6 25 25 A K H X S+ 0 0 113 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.836 110.5 51.3 -62.8 -37.7 39.6 0.2 14.2 26 26 A L H <>S+ 0 0 23 -4,-2.5 5,-2.7 2,-0.2 4,-0.3 0.834 111.0 48.2 -69.4 -34.8 36.3 2.0 14.3 27 27 A N H ><5S+ 0 0 81 -4,-1.8 3,-0.7 2,-0.2 -2,-0.2 0.879 110.7 50.5 -71.7 -38.9 35.0 -0.5 16.9 28 28 A E H 3<5S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.840 111.7 49.8 -65.8 -32.2 38.2 -0.1 19.0 29 29 A L T 3<5S- 0 0 135 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.549 109.7-126.1 -81.5 -9.9 37.5 3.6 18.7 30 30 A G T < 5 + 0 0 51 -3,-0.7 2,-2.0 -4,-0.3 -3,-0.2 0.753 50.1 164.2 68.5 20.9 34.0 3.2 19.8 31 31 A A >< - 0 0 19 -5,-2.7 4,-2.8 1,-0.2 -1,-0.2 -0.525 14.4-175.2 -77.4 78.4 33.1 5.1 16.7 32 32 A D H > S+ 0 0 99 -2,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.878 72.4 31.8 -33.3 -83.6 29.4 4.2 16.6 33 33 A E H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.835 119.0 56.1 -54.2 -39.3 27.8 5.6 13.4 34 34 A Q H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.939 106.6 48.5 -62.0 -48.6 31.1 5.1 11.5 35 35 A A H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.850 108.4 54.2 -61.7 -37.3 31.3 1.4 12.3 36 36 A D H X S+ 0 0 105 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.905 113.2 43.1 -62.7 -43.7 27.7 0.8 11.3 37 37 A I H X S+ 0 0 121 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.880 115.4 49.1 -69.9 -37.8 28.4 2.4 7.9 38 38 A C H X S+ 0 0 6 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.803 108.3 53.4 -72.8 -30.7 31.8 0.6 7.6 39 39 A E H X S+ 0 0 39 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.917 112.3 44.3 -68.4 -43.4 30.2 -2.8 8.4 40 40 A S H X S+ 0 0 70 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.834 111.9 54.2 -67.7 -33.9 27.7 -2.2 5.7 41 41 A L H X S+ 0 0 87 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.860 106.4 52.1 -68.4 -37.6 30.5 -1.0 3.4 42 42 A H H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.871 108.4 49.8 -65.9 -40.4 32.4 -4.2 4.1 43 43 A D H X S+ 0 0 24 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.915 111.7 49.6 -63.0 -43.0 29.4 -6.4 3.1 44 44 A H H X S+ 0 0 115 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.891 109.3 50.8 -62.4 -42.8 29.1 -4.3 -0.1 45 45 A A H X S+ 0 0 10 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.776 108.1 53.5 -67.4 -28.3 32.8 -4.8 -0.8 46 46 A D H X S+ 0 0 7 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.879 105.7 53.3 -72.8 -36.6 32.3 -8.5 -0.3 47 47 A E H X S+ 0 0 128 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.875 111.0 46.9 -63.9 -39.1 29.5 -8.4 -2.9 48 48 A L H X S+ 0 0 89 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.883 110.7 51.7 -71.8 -37.7 31.9 -6.7 -5.3 49 49 A Y H X S+ 0 0 22 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.923 108.3 50.3 -64.2 -45.1 34.6 -9.3 -4.6 50 50 A R H X S+ 0 0 111 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.822 112.6 49.6 -60.3 -32.8 32.3 -12.2 -5.3 51 51 A S H X S+ 0 0 76 -4,-1.2 4,-1.4 -5,-0.2 -2,-0.2 0.911 113.8 42.9 -72.1 -45.7 31.3 -10.5 -8.5 52 52 A C H X S+ 0 0 15 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.788 112.3 55.6 -71.0 -28.0 35.0 -9.9 -9.6 53 53 A L H X S+ 0 0 33 -4,-2.5 4,-1.7 -5,-0.2 9,-0.2 0.924 107.0 48.8 -70.5 -45.0 35.9 -13.4 -8.5 54 54 A A H < S+ 0 0 53 -4,-1.7 -2,-0.2 8,-0.3 -1,-0.2 0.859 121.2 35.4 -62.3 -38.0 33.2 -15.1 -10.7 55 55 A R H < S+ 0 0 197 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.862 129.9 28.9 -85.8 -40.5 34.3 -13.0 -13.8 56 56 A F H < S+ 0 0 41 -4,-2.6 2,-0.2 -5,-0.2 -3,-0.2 0.423 94.8 106.0-102.8 -2.2 38.0 -12.8 -13.4 57 57 A G < - 0 0 14 -4,-1.7 -4,-0.0 -5,-0.2 -51,-0.0 -0.528 64.4-131.5 -78.6 148.5 38.7 -16.0 -11.5 58 58 A D - 0 0 86 -2,-0.2 -1,-0.1 4,-0.0 -2,-0.0 0.411 45.0 -65.6 -74.9-147.0 40.3 -18.9 -13.3 59 59 A D S S+ 0 0 159 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.966 133.1 35.5 -73.1 -57.3 39.2 -22.6 -13.3 60 60 A G S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.677 123.4 49.6 -71.2 -20.6 39.7 -23.6 -9.7 61 61 A E 0 0 66 -8,-0.1 -7,-0.1 -5,-0.0 -8,-0.0 0.215 360.0 360.0 -90.7-144.3 38.7 -20.1 -8.5 62 62 A N 0 0 109 -9,-0.2 -8,-0.3 -10,-0.0 -11,-0.1 0.743 360.0 360.0 53.0 360.0 35.6 -18.1 -9.5 63 !* 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 64 1 B G >> 0 0 65 0, 0.0 4,-0.9 0, 0.0 5,-0.8 0.000 360.0 360.0 360.0 51.6 6.4 -15.3 16.1 65 2 B T T 45 - 0 0 98 1,-0.2 2,-2.8 2,-0.2 0, 0.0 0.605 360.0-103.8 40.3 22.5 5.1 -18.8 16.9 66 3 B K T >5S+ 0 0 146 1,-0.2 4,-1.9 2,-0.0 3,-0.5 -0.326 117.6 64.8 65.4 -60.7 8.1 -19.0 19.3 67 4 B Q H >5S+ 0 0 109 -2,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.843 94.2 58.9 -59.4 -38.7 10.2 -21.2 17.0 68 5 B E H X5S+ 0 0 44 -4,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.864 109.5 44.6 -60.3 -36.4 10.6 -18.6 14.3 69 6 B K H >S+ 0 0 0 -4,-1.8 5,-2.1 -3,-0.4 3,-0.5 0.906 111.6 48.1 -75.9 -42.8 41.5 -14.6 12.3 90 27 B N H ><5S+ 0 0 33 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.910 111.9 50.2 -61.1 -44.3 42.6 -11.5 10.3 91 28 B E H 3<5S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.634 107.5 53.8 -71.4 -17.3 44.3 -10.1 13.4 92 29 B L T 3<5S- 0 0 63 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.346 115.7-114.1 -98.3 4.7 46.1 -13.3 14.0 93 30 B G T < 5S+ 0 0 40 -3,-1.3 2,-1.3 1,-0.2 -3,-0.2 0.622 73.0 135.9 74.4 14.2 47.6 -13.3 10.5 94 31 B A >< + 0 0 0 -5,-2.1 4,-1.6 1,-0.2 -1,-0.2 -0.642 20.4 163.5 -93.7 76.2 45.7 -16.4 9.4 95 32 B D H > + 0 0 78 -2,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.755 66.0 56.7 -69.5 -28.3 44.6 -15.1 6.0 96 33 B E H > S+ 0 0 118 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.961 113.4 41.9 -66.5 -48.5 43.7 -18.3 4.3 97 34 B Q H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.813 111.6 55.9 -66.2 -34.2 41.2 -19.1 7.0 98 35 B A H X S+ 0 0 7 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.834 104.1 53.9 -68.6 -33.6 40.0 -15.5 7.1 99 36 B D H X S+ 0 0 60 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.878 113.2 42.9 -66.1 -39.8 39.2 -15.7 3.4 100 37 B I H X S+ 0 0 26 -4,-1.4 4,-1.7 2,-0.2 3,-0.4 0.896 113.0 51.5 -72.7 -40.7 37.1 -18.7 4.1 101 38 B C H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.749 101.4 64.2 -67.3 -22.9 35.6 -17.1 7.2 102 39 B E H X S+ 0 0 8 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.918 105.4 43.1 -65.2 -42.7 34.8 -14.2 5.0 103 40 B S H X S+ 0 0 38 -4,-1.0 4,-2.5 -3,-0.4 -2,-0.2 0.837 111.4 56.1 -71.0 -35.3 32.4 -16.4 3.0 104 41 B L H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.934 111.7 40.9 -63.0 -47.8 31.1 -17.9 6.2 105 42 B H H X S+ 0 0 1 -4,-2.6 4,-2.7 -23,-0.3 5,-0.2 0.870 112.5 57.2 -67.3 -38.2 30.1 -14.5 7.6 106 43 B D H X S+ 0 0 10 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.945 110.8 42.0 -55.9 -50.4 28.8 -13.5 4.2 107 44 B H H X S+ 0 0 19 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.778 113.5 54.0 -68.3 -30.5 26.4 -16.4 4.1 108 45 B A H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -29,-0.2 0.894 108.8 47.5 -71.0 -41.4 25.5 -15.9 7.8 109 46 B D H X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.913 113.0 49.2 -65.1 -43.2 24.5 -12.3 7.1 110 47 B E H X S+ 0 0 75 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.830 111.4 50.2 -65.9 -34.1 22.5 -13.3 4.1 111 48 B L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.916 108.7 50.6 -71.2 -45.4 20.7 -16.0 6.1 112 49 B Y H X S+ 0 0 35 -4,-2.4 4,-2.3 -37,-0.2 -2,-0.2 0.927 110.0 50.2 -58.9 -46.6 19.8 -13.7 8.9 113 50 B R H X S+ 0 0 122 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.798 110.1 51.0 -63.8 -28.9 18.3 -11.1 6.5 114 51 B S H X S+ 0 0 39 -4,-1.1 4,-1.0 2,-0.2 -1,-0.2 0.909 111.7 46.2 -73.2 -43.1 16.3 -13.9 4.8 115 52 B C H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.828 112.2 52.4 -67.3 -33.3 14.9 -15.1 8.2 116 53 B L H < S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.963 110.1 47.0 -66.3 -51.2 14.2 -11.5 9.2 117 54 B A H < S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.670 119.1 41.7 -64.8 -20.3 12.2 -10.9 6.0 118 55 B R H < S+ 0 0 125 -4,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.839 126.6 21.6 -95.5 -42.7 10.3 -14.1 6.4 119 56 B F < 0 0 31 -4,-2.7 -3,-0.1 -5,-0.1 -50,-0.1 0.576 360.0 360.0 -93.2-116.4 9.5 -14.1 10.1 120 57 B G 0 0 78 -5,-0.1 -1,-0.1 -52,-0.1 -3,-0.1 -0.735 360.0 360.0 -92.9 360.0 9.5 -10.9 12.2 121 !* 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 0.0 122 101 C G >> 0 0 90 0, 0.0 4,-1.3 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 74.6 50.8 -18.4 18.9 123 102 C T H 3> + 0 0 73 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.541 360.0 72.2 -58.0 -10.9 48.6 -21.5 19.1 124 103 C K H 3> S+ 0 0 159 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.966 107.9 30.7 -71.7 -52.7 46.8 -20.3 22.3 125 104 C Q H <> S+ 0 0 96 -3,-0.7 4,-0.9 1,-0.2 -2,-0.2 0.729 119.8 56.1 -76.1 -21.8 44.8 -17.5 20.7 126 105 C E H X S+ 0 0 33 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.746 104.1 55.7 -77.4 -24.3 44.7 -19.6 17.5 127 106 C K H X S+ 0 0 89 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.872 103.1 51.9 -74.5 -39.9 43.2 -22.4 19.6 128 107 C T H X S+ 0 0 59 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.804 111.1 49.6 -66.1 -28.8 40.3 -20.2 20.8 129 108 C A H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.871 108.2 53.5 -75.0 -37.4 39.6 -19.4 17.2 130 109 C L H X S+ 0 0 8 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.918 111.6 44.1 -62.2 -45.5 39.8 -23.2 16.3 131 110 C N H X S+ 0 0 71 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.810 110.8 54.4 -69.8 -32.3 37.2 -24.0 19.0 132 111 C M H X S+ 0 0 37 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 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