==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 23-MAY-12 4FBI . COMPND 2 MOLECULE: REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER SP.; . AUTHOR R.N.A.MARTIN,J.E.MCGEEHAN,G.G.KNEALE . 298 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 74.8 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 . 4 1.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 4.0 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 4 4 0 8 0 3 1 0 0 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 . 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 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 3 A S 0 0 86 0, 0.0 43,-0.0 0, 0.0 129,-0.0 0.000 360.0 360.0 360.0 128.7 25.8 3.0 -9.9 2 4 A F + 0 0 89 1,-0.2 5,-0.2 2,-0.2 0, 0.0 0.950 360.0 43.4 -62.1 -55.9 22.2 2.9 -8.8 3 5 A L 0 0 2 1,-0.2 4,-2.8 3,-0.2 5,-0.2 0.924 360.0 360.0 -57.8 -46.1 20.8 5.5 -11.2 4 6 A L 0 0 24 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.929 360.0 360.0 -57.9 360.0 22.7 4.2 -14.3 5 ! 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 6 8 A K > 0 0 24 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -39.3 17.9 1.8 -13.3 7 9 A V H > + 0 0 2 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.951 360.0 48.0 -57.1 -46.6 18.1 3.9 -16.5 8 10 A S H > S+ 0 0 12 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.885 112.4 50.3 -57.2 -47.2 19.6 1.0 -18.4 9 11 A F H > S+ 0 0 109 2,-0.2 4,-2.7 -5,-0.2 -1,-0.2 0.890 110.2 48.6 -63.0 -44.1 16.9 -1.3 -17.0 10 12 A V H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.932 110.8 49.9 -67.2 -39.8 14.0 1.0 -18.0 11 13 A I H X S+ 0 0 2 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.945 114.4 45.2 -59.3 -48.1 15.3 1.5 -21.5 12 14 A K H X S+ 0 0 95 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.893 113.3 51.7 -62.3 -42.2 15.6 -2.4 -21.9 13 15 A K H X S+ 0 0 69 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.933 112.4 43.3 -63.0 -47.9 12.2 -2.9 -20.4 14 16 A I H X S+ 0 0 5 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.914 115.1 50.5 -65.8 -44.9 10.4 -0.4 -22.7 15 17 A R H <>S+ 0 0 13 -4,-2.6 5,-2.4 -5,-0.3 3,-0.2 0.932 112.4 45.5 -55.8 -52.0 12.3 -1.8 -25.7 16 18 A L H ><5S+ 0 0 96 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.896 111.6 54.1 -62.0 -34.8 11.4 -5.4 -24.9 17 19 A E H 3<5S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.792 106.2 51.7 -71.9 -27.8 7.7 -4.3 -24.2 18 20 A K T 3<5S- 0 0 97 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.472 117.3-118.3 -83.0 2.7 7.6 -2.7 -27.6 19 21 A G T < 5 + 0 0 60 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.685 65.4 145.4 68.1 25.4 8.8 -6.0 -29.1 20 22 A M < - 0 0 22 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.1 -0.729 43.2-142.9-100.3 140.5 11.9 -4.4 -30.4 21 23 A T > - 0 0 61 -2,-0.4 4,-1.9 -3,-0.1 5,-0.2 -0.405 36.9-103.4 -80.4 169.2 15.4 -6.0 -30.7 22 24 A Q H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.917 126.6 52.9 -59.9 -42.9 18.4 -3.7 -30.0 23 25 A E H > S+ 0 0 71 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.883 105.1 53.4 -59.4 -43.9 18.9 -3.7 -33.8 24 26 A D H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 111.9 44.3 -59.7 -45.8 15.3 -2.6 -34.4 25 27 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.895 113.2 51.7 -68.4 -38.7 15.8 0.4 -32.0 26 28 A A H X>S+ 0 0 1 -4,-2.5 5,-2.1 1,-0.2 4,-1.0 0.938 109.8 48.7 -60.4 -48.7 19.1 1.2 -33.6 27 29 A Y H ><5S+ 0 0 201 -4,-3.3 3,-0.6 1,-0.2 -1,-0.2 0.890 112.2 49.5 -62.8 -36.1 17.7 1.2 -37.1 28 30 A K H 3<5S+ 0 0 101 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 118.9 37.1 -71.8 -27.8 14.8 3.4 -36.1 29 31 A S H 3<5S- 0 0 9 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.395 107.1-116.1-105.6 5.9 17.0 5.9 -34.3 30 32 A N T <<5S+ 0 0 156 -4,-1.0 2,-0.3 -3,-0.6 -3,-0.2 0.937 76.7 123.7 52.0 44.5 20.0 5.9 -36.7 31 33 A L < - 0 0 44 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.846 67.2 -97.1-119.6 165.0 22.2 4.6 -33.9 32 34 A D >> - 0 0 97 -2,-0.3 4,-1.8 1,-0.1 3,-1.0 -0.608 22.9-123.1 -84.1 151.0 24.3 1.5 -33.9 33 35 A R H 3> S+ 0 0 114 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.894 114.7 54.7 -55.8 -33.6 23.1 -1.8 -32.5 34 36 A T H 3> S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.785 101.4 57.6 -78.7 -15.1 26.2 -1.8 -30.2 35 37 A Y H <> S+ 0 0 57 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.932 110.3 43.7 -74.5 -43.2 25.3 1.7 -28.9 36 38 A I H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.915 115.1 47.8 -64.2 -45.4 22.0 0.3 -27.7 37 39 A S H X S+ 0 0 23 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.929 112.8 51.5 -55.7 -43.8 23.5 -2.8 -26.4 38 40 A G H >X S+ 0 0 14 -4,-2.3 4,-3.1 1,-0.2 3,-1.0 0.912 107.4 49.8 -61.4 -45.0 26.1 -0.7 -24.7 39 41 A I H 3< S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.861 106.8 56.4 -66.8 -30.6 23.6 1.7 -23.0 40 42 A E H 3< S+ 0 0 20 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.706 114.6 39.0 -72.6 -22.2 21.7 -1.3 -21.6 41 43 A R H << S+ 0 0 184 -3,-1.0 2,-0.3 -4,-0.9 -2,-0.2 0.796 138.9 4.1 -89.9 -36.8 24.9 -2.5 -20.0 42 44 A N < - 0 0 95 -4,-3.1 3,-0.4 -5,-0.2 -1,-0.3 -0.889 56.1-174.8-158.5 110.0 26.2 0.9 -18.9 43 45 A S > + 0 0 0 -2,-0.3 3,-1.7 1,-0.2 83,-0.5 0.299 50.5 116.0 -92.6 12.9 24.3 4.1 -19.4 44 46 A A T 3 S+ 0 0 27 1,-0.3 83,-2.3 82,-0.2 84,-0.4 0.826 82.9 35.0 -49.6 -47.5 27.1 6.4 -18.1 45 47 A N T 3 S+ 0 0 115 -3,-0.4 2,-0.4 80,-0.2 -1,-0.3 0.328 82.7 122.7 -97.7 5.6 27.6 8.2 -21.4 46 48 A L < - 0 0 0 -3,-1.7 80,-1.9 -7,-0.1 81,-0.2 -0.522 54.4-146.7 -66.8 125.4 24.1 8.2 -22.7 47 49 A T B > -A 125 0A 21 -2,-0.4 4,-2.4 78,-0.2 78,-0.2 -0.487 22.1-113.9 -91.0 163.1 23.3 11.8 -23.2 48 50 A I H > S+ 0 0 4 76,-2.0 4,-2.8 73,-0.6 74,-0.2 0.889 119.4 54.6 -62.0 -37.3 19.9 13.6 -22.8 49 51 A K H > S+ 0 0 113 73,-2.0 4,-2.1 72,-0.3 -1,-0.2 0.934 111.1 44.9 -61.0 -46.3 19.8 14.2 -26.6 50 52 A S H > S+ 0 0 22 72,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.886 111.9 52.2 -66.2 -32.5 20.3 10.4 -27.2 51 53 A L H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.913 107.6 52.1 -70.7 -39.9 17.7 9.6 -24.5 52 54 A E H X S+ 0 0 39 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.911 112.0 46.7 -59.3 -41.4 15.2 11.9 -26.2 53 55 A L H X S+ 0 0 55 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.910 112.8 48.8 -65.8 -39.5 15.9 10.1 -29.5 54 56 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.909 109.9 50.6 -66.8 -42.0 15.6 6.7 -27.9 55 57 A M H X>S+ 0 0 5 -4,-3.0 5,-2.1 1,-0.2 4,-0.6 0.934 110.2 52.1 -63.0 -37.7 12.3 7.7 -26.2 56 58 A K H <5S+ 0 0 152 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.829 111.9 46.2 -56.8 -44.0 11.1 8.9 -29.7 57 59 A G H <5S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.784 111.3 49.3 -72.1 -39.2 12.0 5.5 -31.2 58 60 A L H <5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.487 108.0-128.6 -76.7 -9.2 10.4 3.5 -28.3 59 61 A E T <5 + 0 0 145 -4,-0.6 2,-0.4 -3,-0.4 -3,-0.2 0.909 64.6 135.3 53.1 46.9 7.2 5.8 -28.8 60 62 A V < - 0 0 17 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.979 56.9-122.2-114.5 139.9 7.2 6.5 -25.1 61 63 A S > - 0 0 57 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.442 22.2-116.9 -77.4 156.7 6.6 10.0 -23.9 62 64 A D H > S+ 0 0 24 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.937 115.8 54.6 -55.1 -42.3 9.3 11.6 -21.8 63 65 A V H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.929 109.2 46.6 -64.8 -42.1 6.8 11.8 -18.9 64 66 A V H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 111.0 52.4 -63.7 -41.7 6.0 8.1 -19.0 65 67 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.952 112.0 44.9 -54.5 -48.4 9.7 7.2 -19.2 66 68 A F H X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.874 111.1 53.9 -70.4 -32.1 10.5 9.2 -16.1 67 69 A E H X S+ 0 0 51 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.928 110.4 48.1 -59.3 -43.3 7.4 7.8 -14.3 68 70 A M H X S+ 0 0 43 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.884 111.5 50.2 -64.3 -41.0 8.7 4.3 -15.1 69 71 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.922 108.3 50.6 -63.6 -42.4 12.1 5.3 -13.9 70 72 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.926 108.8 54.3 -63.5 -41.4 10.8 6.7 -10.6 71 73 A K H X S+ 0 0 110 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.953 110.5 44.6 -57.9 -45.9 9.0 3.5 -10.1 72 74 A E H X S+ 0 0 19 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.900 112.2 51.9 -64.8 -38.0 12.2 1.4 -10.6 73 75 A I H < S+ 0 0 9 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.947 113.7 45.1 -65.0 -36.9 14.2 3.7 -8.3 74 76 A L H < S+ 0 0 29 -4,-2.5 -2,-0.2 2,-0.3 -1,-0.2 0.781 98.9 67.0 -78.8 -28.1 11.5 3.4 -5.6 75 77 A K H < 0 0 126 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.881 360.0 360.0 -59.2 -45.9 11.1 -0.4 -5.8 76 78 A H < 0 0 162 -4,-1.2 -2,-0.3 -3,-0.2 -1,-0.2 0.883 360.0 360.0 -70.3 360.0 14.7 -0.5 -4.5 77 !* 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 78 2 B E 0 0 128 0, 0.0 2,-0.0 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 114.8 17.5 22.4 -27.6 79 3 B S - 0 0 46 1,-0.0 43,-0.0 -30,-0.0 -30,-0.0 -0.142 360.0 -91.5 -66.9 176.8 14.1 20.7 -27.7 80 4 B F S S+ 0 0 110 1,-0.2 5,-0.2 2,-0.2 -1,-0.0 0.924 128.6 54.0 -68.5 -38.4 11.6 21.2 -24.9 81 5 B L 0 0 0 1,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.928 360.0 360.0 -56.4 -45.2 13.0 18.0 -23.0 82 6 B L 0 0 4 2,-0.2 4,-1.7 3,-0.1 39,-0.5 0.817 360.0 360.0 -60.3 360.0 16.4 19.7 -23.2 83 ! 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 84 8 B K > 0 0 50 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -39.3 13.5 21.5 -19.2 85 9 B V H > + 0 0 2 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.958 360.0 45.1 -59.9 -47.2 16.3 19.4 -17.9 86 10 B S H > S+ 0 0 5 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.889 113.5 51.7 -55.9 -47.4 18.6 22.5 -18.0 87 11 B F H > S+ 0 0 104 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.934 109.3 48.0 -59.1 -43.8 15.9 24.5 -16.3 88 12 B V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.896 109.0 52.8 -68.6 -40.7 15.3 22.1 -13.5 89 13 B I H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.952 114.4 42.4 -53.6 -51.3 19.0 21.7 -12.7 90 14 B K H X S+ 0 0 97 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.905 112.3 56.0 -67.2 -37.6 19.4 25.5 -12.4 91 15 B K H X S+ 0 0 61 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.970 112.5 40.6 -58.0 -46.7 16.0 25.7 -10.5 92 16 B I H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.916 111.7 56.1 -68.8 -37.8 17.2 23.3 -7.9 93 17 B R H <>S+ 0 0 16 -4,-2.4 5,-2.3 -5,-0.2 -1,-0.2 0.927 110.5 45.1 -59.1 -42.1 20.7 24.8 -7.7 94 18 B L H ><5S+ 0 0 99 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.907 111.0 53.0 -75.8 -32.8 19.2 28.3 -6.9 95 19 B E H 3<5S+ 0 0 132 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.860 106.9 53.2 -65.2 -32.7 16.9 26.8 -4.4 96 20 B K T 3<5S- 0 0 101 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.352 114.4-120.3 -74.0 -7.5 19.8 25.1 -2.7 97 21 B G T < 5 + 0 0 67 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.841 65.5 144.3 65.6 42.8 21.6 28.5 -2.5 98 22 B M < - 0 0 17 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.2 -0.881 43.0-142.9-116.2 141.6 24.4 27.2 -4.6 99 23 B T > - 0 0 71 -2,-0.4 4,-2.6 -3,-0.1 5,-0.2 -0.435 35.4-103.3 -83.4 171.3 26.5 28.9 -7.2 100 24 B Q H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.912 126.4 52.5 -55.9 -38.1 27.7 27.2 -10.3 101 25 B E H > S+ 0 0 100 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.905 107.1 52.3 -64.1 -39.9 31.1 26.9 -8.7 102 26 B D H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.924 111.7 46.7 -63.0 -42.2 29.5 25.3 -5.6 103 27 B L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 6,-0.2 0.910 111.2 51.5 -70.3 -41.6 27.8 22.8 -7.9 104 28 B A H X>S+ 0 0 7 -4,-2.7 5,-1.7 -5,-0.2 4,-1.2 0.951 112.1 46.3 -57.0 -48.3 31.0 22.1 -9.8 105 29 B Y H <5S+ 0 0 195 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.903 115.7 44.9 -58.5 -48.1 32.9 21.5 -6.5 106 30 B K H <5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.755 119.2 41.5 -74.0 -27.1 30.2 19.2 -5.0 107 31 B S H <5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.505 102.4-126.0 -91.7 -13.9 29.7 17.2 -8.3 108 32 B N T <5S+ 0 0 142 -4,-1.2 2,-0.3 -3,-0.3 -3,-0.2 0.915 70.2 125.4 64.1 32.2 33.4 17.0 -9.2 109 33 B L < - 0 0 29 -5,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.913 68.7 -94.2-113.1 161.1 32.5 18.4 -12.6 110 34 B D >> - 0 0 117 -2,-0.3 4,-2.1 1,-0.1 3,-0.9 -0.477 24.3-127.9 -74.8 144.1 34.2 21.5 -14.2 111 35 B R H 3> S+ 0 0 102 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.859 110.6 59.4 -59.2 -32.2 32.5 24.8 -13.8 112 36 B T H 3> S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.865 105.8 48.5 -59.0 -37.3 32.6 25.2 -17.6 113 37 B Y H <> S+ 0 0 62 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.914 110.1 50.2 -73.7 -43.8 30.6 22.1 -18.0 114 38 B I H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.917 110.8 50.9 -55.0 -44.7 28.0 23.2 -15.4 115 39 B S H X S+ 0 0 23 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.938 112.0 47.0 -57.6 -48.8 27.7 26.5 -17.3 116 40 B G H >X S+ 0 0 24 -4,-2.1 4,-2.3 -5,-0.2 3,-0.7 0.915 109.6 52.5 -60.7 -42.0 27.2 24.8 -20.5 117 41 B I H 3< S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.895 103.9 56.8 -65.4 -41.7 24.6 22.3 -19.2 118 42 B E H 3< S+ 0 0 21 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.800 113.4 40.5 -65.4 -23.9 22.5 25.0 -17.8 119 43 B R H << S+ 0 0 169 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.791 137.1 2.6 -82.7 -38.7 22.3 26.5 -21.3 120 44 B N < - 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0 0 22 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.749 43.6-142.2-102.1 141.0 -30.5 6.3 -18.6 175 23 C T > - 0 0 59 -2,-0.4 4,-2.0 -3,-0.1 5,-0.1 -0.404 36.2-102.9 -78.7 170.2 -30.1 2.5 -18.8 176 24 C Q H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.925 126.7 52.2 -60.4 -42.2 -26.7 1.0 -18.1 177 25 C E H > S+ 0 0 68 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.874 105.7 53.5 -61.5 -40.8 -26.4 0.6 -21.9 178 26 C D H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 112.3 43.4 -61.6 -44.8 -27.3 4.3 -22.5 179 27 C L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.915 113.0 53.1 -68.7 -38.3 -24.5 5.4 -20.1 180 28 C A H X>S+ 0 0 1 -4,-2.7 5,-2.2 1,-0.2 4,-0.9 0.942 110.8 47.3 -57.1 -52.7 -22.1 2.8 -21.7 181 29 C Y H ><5S+ 0 0 201 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 0.854 112.0 49.2 -61.0 -42.6 -22.8 4.1 -25.2 182 30 C K H 3<5S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 119.2 38.5 -67.8 -29.0 -22.4 7.8 -24.2 183 31 C S H 3<5S- 0 0 7 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.406 106.2-116.6-102.7 5.0 -19.1 7.0 -22.5 184 32 C N T <<5S+ 0 0 156 -4,-0.9 2,-0.3 -3,-0.6 -3,-0.2 0.945 77.2 123.6 50.4 47.4 -17.5 4.5 -24.8 185 33 C L < - 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