==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 15-NOV-99 2CPG . COMPND 2 MOLECULE: TRANSCRIPTIONAL REPRESSOR COPG; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE; . AUTHOR F.X.GOMIS-RUETH,M.SOLA,P.ACEBO,A.PARRAGA,A.GUASCH,R.ERITJA, . 130 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 71.5 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 . 10 7.7 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 4 0 1 0 0 0 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 . 0 0 0 0 0 0 0 0 1 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 . 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 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 0 121 0, 0.0 54,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -7.9 5.1 43.2 9.6 2 2 A K E +A 54 0A 129 52,-0.2 2,-0.3 53,-0.1 52,-0.2 -0.752 360.0 178.6 -88.4 139.6 4.4 43.3 13.4 3 3 A K E -A 53 0A 88 50,-2.5 50,-2.7 -2,-0.4 2,-0.3 -0.983 21.3-129.4-135.3 145.3 4.3 39.8 14.9 4 4 A R E -A 52 0A 206 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.700 22.0-178.8 -98.0 150.8 3.8 38.7 18.5 5 5 A L E -A 51 0A 29 46,-2.5 46,-2.7 -2,-0.3 2,-0.5 -0.982 19.3-142.0-143.5 132.8 6.0 36.2 20.4 6 6 A T E +A 50 0A 70 -2,-0.3 2,-0.3 44,-0.2 44,-0.2 -0.856 28.6 176.8 -95.8 133.9 5.7 34.9 24.0 7 7 A I E -A 49 0A 2 42,-2.6 42,-2.5 -2,-0.5 2,-0.5 -0.831 25.5-133.2-130.2 160.5 9.0 34.5 25.8 8 8 A T E +A 48 0A 55 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.987 25.2 179.0-120.0 123.5 10.2 33.4 29.2 9 9 A L E -A 47 0A 1 38,-2.8 38,-3.0 -2,-0.5 105,-0.1 -0.904 31.9-113.9-118.2 148.7 12.8 35.5 31.1 10 10 A S E > -A 46 0A 11 103,-0.7 4,-2.3 -2,-0.3 36,-0.2 -0.398 36.1-111.6 -63.7 159.2 14.3 35.0 34.5 11 11 A E H > S+ 0 0 62 34,-1.4 4,-2.9 2,-0.2 5,-0.2 0.900 118.0 55.9 -57.9 -38.9 13.3 37.8 36.9 12 12 A S H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.953 110.5 41.1 -64.0 -45.1 17.0 39.0 36.9 13 13 A V H > S+ 0 0 1 100,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.905 114.2 54.2 -64.8 -39.5 17.1 39.3 33.1 14 14 A L H X S+ 0 0 17 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.920 107.3 50.5 -63.9 -38.3 13.7 40.9 33.1 15 15 A E H X S+ 0 0 100 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.944 110.8 48.4 -66.1 -39.3 14.7 43.5 35.6 16 16 A N H X S+ 0 0 48 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.924 111.8 51.0 -64.6 -40.0 17.8 44.4 33.5 17 17 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.960 110.2 48.5 -58.1 -50.4 15.6 44.6 30.5 18 18 A E H X S+ 0 0 82 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.914 111.7 49.7 -61.8 -42.0 13.1 47.0 32.3 19 19 A K H X S+ 0 0 105 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.939 112.7 46.1 -58.6 -47.3 15.9 49.2 33.5 20 20 A M H X S+ 0 0 11 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.941 113.6 48.7 -63.6 -43.6 17.5 49.5 30.1 21 21 A A H X>S+ 0 0 5 -4,-2.5 5,-2.8 -5,-0.2 4,-0.7 0.916 111.4 48.9 -62.6 -43.9 14.2 50.2 28.4 22 22 A R H ><5S+ 0 0 174 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.898 109.9 54.5 -63.1 -37.5 13.2 52.9 30.9 23 23 A E H 3<5S+ 0 0 152 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.924 114.8 37.7 -59.1 -43.3 16.6 54.5 30.5 24 24 A M H 3<5S- 0 0 79 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.476 111.1-114.5 -93.7 1.1 16.3 54.7 26.8 25 25 A G T <<5S+ 0 0 69 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.854 71.9 137.1 66.4 34.8 12.6 55.6 26.7 26 26 A L < - 0 0 57 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.821 58.3-116.8-114.8 150.1 11.8 52.3 25.0 27 27 A S > - 0 0 71 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.377 40.2-106.7 -65.0 161.9 9.1 49.6 25.3 28 28 A K H > S+ 0 0 82 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.920 123.0 54.2 -54.9 -41.5 10.5 46.2 26.2 29 29 A S H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 109.7 45.0 -59.4 -43.9 9.9 45.1 22.6 30 30 A A H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 112.5 51.7 -72.9 -37.1 11.9 48.0 21.2 31 31 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.919 109.8 48.9 -65.6 -44.6 14.7 47.5 23.7 32 32 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.923 109.8 53.1 -58.0 -41.3 14.9 43.8 22.8 33 33 A S H X S+ 0 0 28 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.919 109.3 48.8 -58.4 -44.9 15.0 44.8 19.1 34 34 A V H X S+ 0 0 53 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.940 112.8 47.2 -58.5 -47.1 17.9 47.2 19.8 35 35 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.873 110.5 52.6 -68.5 -35.1 19.9 44.5 21.7 36 36 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.912 109.5 47.6 -69.4 -37.3 19.2 41.9 19.0 37 37 A E H X S+ 0 0 84 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.880 111.0 52.2 -69.6 -34.4 20.5 44.1 16.2 38 38 A N H X S+ 0 0 58 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.909 112.5 45.7 -64.4 -40.5 23.6 44.9 18.3 39 39 A Y H < S+ 0 0 50 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.899 110.3 51.8 -69.1 -42.6 24.2 41.2 18.8 40 40 A K H < S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.916 111.2 50.3 -59.0 -41.3 23.6 40.4 15.2 41 41 A K H < S+ 0 0 137 -4,-2.2 2,-3.1 1,-0.2 -1,-0.2 0.793 87.9 87.5 -57.7 -41.0 26.2 43.1 14.4 42 42 A G < 0 0 65 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.147 360.0 360.0 -69.1 49.1 28.8 41.7 16.8 43 43 A Q 0 0 190 -2,-3.1 -3,-0.0 -3,-0.1 0, 0.0 -0.803 360.0 360.0-135.5 360.0 30.4 39.3 14.4 44 !* 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 45 1 B M 0 0 173 0, 0.0 -34,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-167.2 10.7 32.9 39.3 46 2 B K E -A 10 0A 111 -36,-0.2 2,-0.4 -35,-0.1 -36,-0.2 -0.661 360.0-148.3 -81.9 146.8 10.4 32.6 35.5 47 3 B K E -A 9 0A 75 -38,-3.0 -38,-2.8 -2,-0.3 2,-0.4 -0.980 3.6-151.0-128.1 132.8 8.4 35.4 33.9 48 4 B R E +A 8 0A 190 -2,-0.4 2,-0.3 -40,-0.2 -40,-0.2 -0.817 24.3 162.0-105.1 133.3 6.3 35.1 30.8 49 5 B L E -A 7 0A 24 -42,-2.5 -42,-2.6 -2,-0.4 2,-0.5 -0.996 32.1-128.8-150.6 157.4 5.7 38.0 28.6 50 6 B T E -A 6 0A 75 -2,-0.3 2,-0.3 -44,-0.2 -44,-0.2 -0.931 26.3-175.9-114.4 128.8 4.6 38.8 25.1 51 7 B I E -A 5 0A 1 -46,-2.7 -46,-2.5 -2,-0.5 2,-0.4 -0.737 20.0-132.5-115.3 163.0 6.6 41.1 22.8 52 8 B T E +A 4 0A 53 -2,-0.3 2,-0.3 -48,-0.2 -48,-0.2 -0.992 27.0 176.6-119.1 128.5 6.0 42.4 19.4 53 9 B L E -A 3 0A 1 -50,-2.7 -50,-2.5 -2,-0.4 2,-0.1 -0.938 34.9-106.3-126.9 148.8 8.8 42.3 16.7 54 10 B S E > -A 2 0A 32 -2,-0.3 4,-2.5 -52,-0.2 5,-0.2 -0.406 39.9-110.9 -61.2 150.9 9.0 43.2 13.1 55 11 B E H > S+ 0 0 72 -54,-2.1 4,-2.7 1,-0.2 5,-0.2 0.913 117.9 52.0 -51.1 -44.3 8.9 40.2 10.8 56 12 B S H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 110.3 46.9 -61.8 -38.4 12.5 40.8 9.8 57 13 B V H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.921 113.5 48.7 -72.4 -39.7 13.8 41.0 13.4 58 14 B L H X S+ 0 0 38 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.903 110.2 51.2 -68.1 -38.3 11.8 37.8 14.4 59 15 B E H X S+ 0 0 120 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.907 112.6 46.1 -65.4 -40.4 13.2 35.9 11.4 60 16 B N H X S+ 0 0 28 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.916 109.6 55.5 -68.2 -37.5 16.7 36.9 12.3 61 17 B L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.937 108.4 47.2 -54.2 -47.0 16.0 36.0 15.9 62 18 B E H X S+ 0 0 56 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.921 112.6 50.4 -62.9 -39.6 15.0 32.5 14.9 63 19 B K H X S+ 0 0 114 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.934 112.8 44.3 -64.6 -48.0 18.0 32.1 12.7 64 20 B M H X S+ 0 0 11 -4,-2.9 4,-2.0 2,-0.2 6,-0.2 0.922 113.7 50.5 -62.6 -43.6 20.4 33.2 15.4 65 21 B A H X>S+ 0 0 2 -4,-2.7 5,-2.3 -5,-0.3 4,-0.7 0.948 112.9 46.4 -61.4 -45.0 18.8 31.1 18.1 66 22 B R H ><5S+ 0 0 190 -4,-2.7 3,-0.8 -5,-0.2 -1,-0.2 0.909 109.8 53.8 -65.1 -40.3 18.9 28.0 15.8 67 23 B E H 3<5S+ 0 0 121 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.866 116.0 39.4 -62.1 -35.6 22.5 28.6 14.9 68 24 B M H 3<5S- 0 0 57 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.426 110.4-118.9 -90.7 -2.8 23.5 28.8 18.6 69 25 B G T <<5S+ 0 0 64 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.781 70.5 133.1 65.4 29.3 21.2 25.9 19.6 70 26 B L < - 0 0 21 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.703 62.6-111.0-105.6 150.4 19.2 28.2 22.0 71 27 B S > - 0 0 65 44,-0.4 4,-2.8 -2,-0.3 5,-0.2 -0.453 38.5-111.5 -63.6 159.4 15.6 28.9 22.6 72 28 B K H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.870 120.6 56.5 -63.4 -31.3 14.5 32.4 21.4 73 29 B S H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 110.1 44.2 -64.6 -39.0 14.1 33.4 25.1 74 30 B A H > S+ 0 0 0 41,-0.2 4,-3.0 2,-0.2 5,-0.2 0.901 111.4 53.2 -70.7 -40.9 17.7 32.4 25.8 75 31 B M H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.943 110.5 47.5 -60.4 -45.1 18.9 34.1 22.6 76 32 B I H X S+ 0 0 1 -4,-2.7 4,-3.0 -5,-0.2 -2,-0.2 0.927 110.6 52.7 -60.9 -40.5 17.2 37.3 23.7 77 33 B S H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.932 110.6 46.6 -62.0 -43.5 18.7 37.0 27.2 78 34 B V H X S+ 0 0 5 -4,-3.0 4,-2.7 36,-0.2 -1,-0.2 0.912 113.6 49.5 -62.0 -44.0 22.2 36.6 25.7 79 35 B A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.924 111.0 49.2 -61.9 -44.8 21.6 39.6 23.4 80 36 B L H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.909 113.9 44.5 -61.9 -40.8 20.3 41.7 26.3 81 37 B E H X S+ 0 0 22 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.897 111.8 53.0 -73.7 -37.2 23.3 40.9 28.6 82 38 B N H X S+ 0 0 26 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.938 112.3 45.9 -57.5 -50.2 25.7 41.5 25.7 83 39 B Y H X S+ 0 0 28 -4,-2.7 4,-0.7 -5,-0.2 5,-0.3 0.938 112.1 51.2 -58.2 -48.6 24.2 44.9 25.1 84 40 B K H >X S+ 0 0 43 -4,-2.4 4,-2.3 1,-0.2 3,-0.8 0.920 114.8 42.2 -58.0 -43.2 24.2 45.8 28.8 85 41 B K H 3< S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 106.2 64.4 -76.1 -28.2 27.9 44.9 29.2 86 42 B G H 3< S+ 0 0 55 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.622 122.9 13.3 -72.7 -8.8 28.8 46.5 26.0 87 43 B Q H << S+ 0 0 111 -3,-0.8 2,-0.3 -4,-0.7 -2,-0.2 0.587 123.9 24.4-134.6 -18.1 27.8 49.9 27.2 88 44 B E < 0 0 81 -4,-2.3 -1,-0.3 -5,-0.3 0, 0.0 -0.949 360.0 360.0-153.5 161.5 27.4 49.9 31.0 89 45 B R 0 0 274 -2,-0.3 -4,-0.0 -3,-0.1 -3,-0.0 -0.797 360.0 360.0-120.0 360.0 28.1 48.3 34.4 90 !* 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 91 1 C M 0 0 225 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 56.4 30.0 21.6 14.7 92 2 C K + 0 0 177 1,-0.0 2,-0.3 0, 0.0 0, 0.0 0.292 360.0 179.3-166.7 117.7 30.2 20.4 17.5 93 3 C K - 0 0 199 1,-0.1 2,-0.1 0, 0.0 -1,-0.0 -0.582 19.7-138.7 -91.6 137.4 32.7 19.0 20.0 94 4 C R - 0 0 221 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.430 23.1-176.6 -85.7 163.4 32.5 17.6 23.5 95 5 C L - 0 0 148 -2,-0.1 2,-0.5 2,-0.0 -1,-0.0 -0.958 20.4-140.7-161.6 130.9 35.1 18.5 26.2 96 6 C T + 0 0 141 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.871 30.0 172.9-102.3 129.3 35.7 17.4 29.8 97 7 C I - 0 0 90 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.786 27.0-129.9-123.9 167.1 36.8 20.2 32.2 98 8 C T + 0 0 138 -2,-0.2 2,-0.3 0, 0.0 -2,-0.0 -0.996 28.8 175.0-120.4 132.2 37.4 20.6 36.0 99 9 C L - 0 0 82 -2,-0.4 2,-0.1 3,-0.0 -2,-0.0 -0.915 39.5 -94.0-131.7 153.6 35.9 23.5 38.0 100 10 C S > - 0 0 79 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.375 36.6-124.4 -53.9 132.7 35.8 24.7 41.6 101 11 C E H > S+ 0 0 122 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.876 119.6 53.0 -56.0 -32.7 32.5 23.3 43.2 102 12 C S H > S+ 0 0 90 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.902 108.6 46.4 -62.6 -40.4 32.0 27.0 43.9 103 13 C V H > S+ 0 0 70 -3,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.931 112.0 51.7 -73.3 -34.8 32.6 27.9 40.2 104 14 C L H X S+ 0 0 68 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.886 107.1 52.5 -62.9 -46.5 30.3 25.1 39.2 105 15 C E H X S+ 0 0 117 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.940 111.0 47.2 -58.6 -41.1 27.5 26.3 41.5 106 16 C N H X S+ 0 0 76 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.892 108.8 54.8 -67.9 -36.3 27.7 29.8 40.0 107 17 C L H X S+ 0 0 15 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.944 108.1 49.2 -63.7 -46.5 27.7 28.4 36.5 108 18 C E H X S+ 0 0 58 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.937 112.4 48.1 -54.4 -47.3 24.5 26.6 37.2 109 19 C K H X S+ 0 0 106 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.957 115.0 44.7 -60.6 -46.7 22.9 29.7 38.6 110 20 C M H X S+ 0 0 64 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.899 111.4 52.8 -64.3 -46.0 24.0 31.8 35.6 111 21 C A H X>S+ 0 0 3 -4,-3.3 5,-2.0 1,-0.2 4,-0.9 0.932 111.7 46.1 -57.2 -48.3 22.9 29.2 33.1 112 22 C R H ><5S+ 0 0 164 -4,-2.5 3,-0.8 -5,-0.2 -2,-0.2 0.916 108.5 54.6 -61.6 -43.2 19.5 29.0 34.6 113 23 C E H 3<5S+ 0 0 58 -4,-2.3 -103,-0.7 1,-0.2 -100,-0.3 0.810 113.4 44.7 -59.0 -28.0 19.1 32.9 34.8 114 24 C M H 3<5S- 0 0 16 -4,-1.6 -1,-0.2 -3,-0.3 -37,-0.2 0.519 110.1-122.7 -95.1 -8.9 19.9 32.9 31.0 115 25 C G T <<5S+ 0 0 40 -4,-0.9 -44,-0.4 -3,-0.8 2,-0.3 0.809 74.1 99.9 76.0 28.5 17.6 30.0 30.1 116 26 C L S - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.204 38.9-114.1 -74.3 161.6 22.7 25.0 29.2 118 28 C K H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 119.6 55.4 -62.4 -35.9 25.8 25.2 31.2 119 29 C S H > S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.939 109.0 45.9 -57.7 -47.8 27.7 24.5 27.9 120 30 C A H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.915 110.0 54.6 -63.9 -39.2 26.0 27.4 26.2 121 31 C M H X S+ 0 0 17 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.936 109.3 47.1 -62.4 -43.6 26.7 29.6 29.2 122 32 C I H X S+ 0 0 60 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.914 111.6 52.3 -60.1 -44.2 30.5 28.7 29.0 123 33 C S H X S+ 0 0 67 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.944 110.4 46.9 -55.9 -48.1 30.4 29.4 25.3 124 34 C V H X S+ 0 0 28 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.926 113.5 49.6 -59.5 -44.4 28.8 32.9 25.9 125 35 C A H X S+ 0 0 46 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.860 109.3 50.1 -67.4 -37.6 31.3 33.7 28.6 126 36 C L H X S+ 0 0 117 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.898 110.7 50.0 -65.6 -41.3 34.3 32.7 26.5 127 37 C E H X S+ 0 0 94 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.897 110.2 51.2 -61.9 -41.0 33.0 34.9 23.6 128 38 C N H < S+ 0 0 63 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.881 110.4 49.4 -60.8 -36.3 32.6 37.8 26.1 129 39 C Y H < S+ 0 0 194 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 102.4 58.1 -74.9 -37.5 36.2 37.3 27.3 130 40 C K H < S+ 0 0 162 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.929 112.7 49.4 -55.5 -42.9 37.7 37.2 23.9 131 41 C K < 0 0 95 -4,-1.6 -2,-0.1 -5,-0.1 -3,-0.1 0.766 360.0 360.0 -54.1-125.0 36.0 40.6 23.7 132 42 C G 0 0 119 -4,-0.3 -46,-0.0 0, 0.0 -4,-0.0 0.834 360.0 360.0 30.4 360.0 36.8 42.9 26.7