==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 29-MAR-13 4JYK . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR RUTR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.R.COOPER,A.A.KNAPIK,J.J.PETKOWSKI,P.J.POREBSKI,T.OSINSKI,S . 397 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 78.3 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 257 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 2 0 2 4 0 0 0 2 0 0 0 0 2 4 2 0 4 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 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 12 A R 0 0 153 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.1 3.6 -24.1 42.5 2 13 A S > - 0 0 58 1,-0.1 4,-2.5 2,-0.1 5,-0.1 -0.451 360.0-167.5 -86.3 124.1 7.1 -25.5 41.5 3 14 A R H > S+ 0 0 127 -2,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.845 91.0 51.4 -67.8 -37.4 10.0 -23.0 41.1 4 15 A A H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 112.7 46.8 -67.4 -37.4 12.3 -25.5 39.4 5 16 A V H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.945 111.8 50.5 -69.1 -44.6 9.5 -26.4 36.9 6 17 A S H X S+ 0 0 52 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.919 110.2 50.8 -58.9 -44.5 8.8 -22.7 36.3 7 18 A A H X S+ 0 0 56 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.868 109.1 50.2 -60.9 -40.5 12.5 -22.1 35.7 8 19 A K H X S+ 0 0 69 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.920 110.3 50.3 -65.1 -43.9 12.8 -24.9 33.2 9 20 A K H X S+ 0 0 91 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.918 110.6 49.8 -58.3 -44.1 9.7 -23.6 31.3 10 21 A K H X S+ 0 0 124 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.883 108.6 52.4 -63.4 -39.0 11.3 -20.1 31.2 11 22 A A H X S+ 0 0 43 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.898 112.6 45.0 -63.5 -43.5 14.5 -21.5 29.9 12 23 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 114.0 49.0 -65.2 -45.6 12.6 -23.3 27.0 13 24 A L H X S+ 0 0 19 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.882 110.7 50.6 -63.5 -39.5 10.5 -20.2 26.2 14 25 A S H X S+ 0 0 62 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.938 112.5 46.2 -64.5 -46.4 13.6 -18.0 26.1 15 26 A A H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.879 113.2 50.4 -60.6 -40.7 15.4 -20.5 23.7 16 27 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.948 109.9 50.3 -64.0 -45.9 12.2 -20.7 21.6 17 28 A L H X S+ 0 0 10 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.933 112.1 46.3 -57.6 -50.2 11.9 -16.9 21.4 18 29 A D H X S+ 0 0 65 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.850 117.3 44.3 -66.4 -31.1 15.5 -16.5 20.3 19 30 A T H X S+ 0 0 8 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.948 109.7 51.8 -77.9 -48.1 15.2 -19.2 17.7 20 31 A F H X S+ 0 0 2 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.817 112.6 52.1 -59.9 -31.0 11.8 -18.2 16.2 21 32 A S H < S+ 0 0 43 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.902 112.5 40.5 -67.2 -47.1 13.5 -14.8 15.9 22 33 A Q H < S+ 0 0 74 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.1 0.906 135.6 17.1 -72.2 -34.1 16.7 -15.9 14.0 23 34 A F H < S- 0 0 116 -4,-2.8 4,-0.4 1,-0.2 -3,-0.2 0.531 97.2-122.2-123.0 -7.7 14.8 -18.4 11.7 24 35 A G X - 0 0 31 -4,-1.6 4,-0.8 -5,-0.4 -1,-0.2 -0.053 40.1 -73.6 78.8 168.0 10.9 -17.9 11.6 25 36 A F T >4 S+ 0 0 40 2,-0.2 3,-0.7 1,-0.2 -1,-0.1 0.972 132.0 39.2 -63.8 -54.4 8.1 -20.4 12.5 26 37 A H T 34 S+ 0 0 171 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.858 117.1 51.2 -69.8 -32.9 8.4 -22.7 9.5 27 38 A G T 34 S+ 0 0 49 -4,-0.4 2,-0.4 -7,-0.1 -1,-0.2 0.616 92.5 92.4 -77.8 -14.7 12.3 -22.5 9.5 28 39 A T << - 0 0 1 -4,-0.8 2,-0.4 -3,-0.7 -8,-0.1 -0.668 60.2-157.5 -85.4 135.4 12.6 -23.4 13.2 29 40 A R >> - 0 0 73 -2,-0.4 4,-1.5 1,-0.1 3,-0.6 -0.872 22.4-131.9-104.8 143.0 13.1 -27.0 14.2 30 41 A L H 3> S+ 0 0 25 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.857 109.5 62.8 -57.9 -34.4 12.2 -28.2 17.8 31 42 A E H 3> S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.856 102.0 50.3 -57.7 -38.1 15.7 -29.9 17.9 32 43 A Q H <> S+ 0 0 63 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.892 112.0 46.9 -64.6 -44.8 17.4 -26.4 17.5 33 44 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.947 112.5 48.9 -65.5 -48.0 15.3 -25.0 20.4 34 45 A A H X>S+ 0 0 4 -4,-2.7 5,-2.6 2,-0.2 4,-0.9 0.903 111.7 50.2 -58.2 -40.5 16.0 -28.0 22.7 35 46 A E H ><5S+ 0 0 99 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.938 111.8 46.4 -66.6 -47.4 19.7 -27.7 21.9 36 47 A L H 3<5S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 115.1 47.6 -61.6 -35.2 19.8 -24.0 22.7 37 48 A A H 3<5S- 0 0 24 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.603 109.6-122.9 -81.2 -12.1 17.9 -24.6 25.9 38 49 A G T <<5S+ 0 0 69 -4,-0.9 2,-0.3 -3,-0.8 -3,-0.2 0.846 71.6 118.9 69.0 36.2 20.1 -27.5 27.0 39 50 A V < - 0 0 21 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.1 -0.881 68.7-102.8-126.5 161.5 17.1 -29.9 27.2 40 51 A S > - 0 0 62 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.476 31.0-120.0 -72.3 154.1 16.1 -33.1 25.4 41 52 A K H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.873 115.6 56.0 -63.2 -34.1 13.5 -32.8 22.8 42 53 A T H > S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 106.3 49.0 -64.2 -41.8 11.3 -35.2 24.8 43 54 A N H > S+ 0 0 40 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.895 110.9 51.6 -61.8 -41.0 11.5 -32.9 27.9 44 55 A L H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-0.7 0.958 109.7 48.9 -61.2 -44.7 10.5 -30.0 25.6 45 56 A L H 3< S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.735 99.7 66.2 -69.9 -23.1 7.5 -31.9 24.3 46 57 A Y H 3< S+ 0 0 177 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.4 29.7 -59.6 -40.7 6.4 -32.8 27.8 47 58 A Y H << S+ 0 0 52 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.818 135.1 27.4 -86.3 -40.0 5.7 -29.0 28.4 48 59 A F S < S- 0 0 21 -4,-2.5 -1,-0.3 -5,-0.2 6,-0.1 -0.920 70.3-161.6-132.3 100.2 4.9 -27.9 24.9 49 60 A P + 0 0 100 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.528 69.4 13.3 -75.0 -3.5 3.4 -30.7 22.8 50 61 A S S > S- 0 0 51 1,-0.1 4,-2.4 -20,-0.0 5,-0.2 -0.971 76.9-106.4-156.7 164.6 4.0 -29.2 19.3 51 62 A K H > S+ 0 0 50 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.878 122.1 54.4 -61.8 -40.4 5.9 -26.4 17.6 52 63 A E H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 108.2 48.5 -58.0 -43.9 2.5 -24.6 17.2 53 64 A A H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.904 112.7 48.4 -67.1 -39.6 1.9 -24.9 21.0 54 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.927 110.3 49.9 -65.0 -46.5 5.4 -23.6 21.8 55 66 A Y H X S+ 0 0 12 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.930 111.7 48.9 -56.5 -47.5 5.1 -20.6 19.4 56 67 A I H X S+ 0 0 31 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.916 109.6 53.5 -60.5 -41.2 1.7 -19.6 20.9 57 68 A A H X S+ 0 0 11 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.888 107.6 50.4 -62.2 -37.6 3.3 -20.0 24.4 58 69 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.936 113.3 45.7 -63.3 -45.0 6.1 -17.5 23.4 59 70 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.873 111.2 51.6 -70.4 -37.3 3.6 -15.1 22.1 60 71 A R H X S+ 0 0 116 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.875 107.3 54.8 -62.5 -35.2 1.4 -15.4 25.3 61 72 A Q H X S+ 0 0 50 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.900 108.3 47.9 -65.5 -40.9 4.5 -14.8 27.4 62 73 A I H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.923 111.7 49.9 -65.1 -43.7 5.1 -11.5 25.5 63 74 A L H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.910 109.5 52.8 -59.1 -42.3 1.5 -10.5 26.0 64 75 A D H X S+ 0 0 85 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.913 112.2 44.0 -57.5 -48.4 1.8 -11.3 29.7 65 76 A I H < S+ 0 0 70 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.932 117.4 45.5 -64.1 -45.6 4.9 -9.1 30.1 66 77 A W H < S+ 0 0 13 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.864 116.6 43.4 -64.5 -42.5 3.4 -6.3 28.1 67 78 A L H X S+ 0 0 11 -4,-2.5 4,-2.9 -5,-0.2 3,-0.4 0.566 83.4 96.9 -85.1 -11.9 -0.1 -6.3 29.7 68 79 A A H X S+ 0 0 56 -4,-1.1 4,-1.5 -3,-0.4 -1,-0.2 0.886 87.2 45.3 -49.3 -49.1 1.0 -6.7 33.4 69 80 A P H 4 S+ 0 0 24 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.885 114.6 47.5 -63.4 -40.4 0.7 -2.9 34.1 70 81 A L H >4 S+ 0 0 1 -3,-0.4 3,-1.4 -4,-0.3 -2,-0.2 0.890 107.7 55.2 -67.9 -41.5 -2.6 -2.6 32.4 71 82 A K H 3< S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.1 0.854 104.7 57.2 -55.0 -35.2 -4.1 -5.6 34.1 72 83 A A T 3< S+ 0 0 51 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.605 78.8 120.3 -73.3 -16.7 -3.2 -4.0 37.4 73 84 A F < - 0 0 6 -3,-1.4 2,-0.3 -4,-0.4 60,-0.0 -0.260 41.2-174.5 -52.4 134.3 -5.2 -0.8 36.7 74 85 A R > - 0 0 176 1,-0.1 3,-2.3 59,-0.0 -2,-0.0 -0.953 39.4-115.0-129.4 153.5 -7.9 -0.1 39.3 75 86 A E T 3 S+ 0 0 92 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.798 116.1 61.1 -50.0 -34.7 -10.6 2.6 39.5 76 87 A D T 3 S+ 0 0 150 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.577 82.1 105.9 -72.7 -15.5 -8.8 3.8 42.5 77 88 A F S < S- 0 0 70 -3,-2.3 3,-0.1 1,-0.1 -4,-0.0 -0.251 82.3-107.6 -65.1 153.4 -5.4 4.7 40.7 78 89 A A > - 0 0 64 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.770 38.0-148.0 -73.6 111.7 -4.2 8.2 39.9 79 90 A P H > S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.874 87.9 44.6 -61.3 -46.5 -4.8 7.9 36.2 80 91 A L H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 116.0 48.3 -69.2 -38.8 -2.0 10.1 34.8 81 92 A A H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 112.3 49.5 -60.5 -44.2 0.6 8.6 37.1 82 93 A A H X S+ 0 0 6 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.896 112.0 47.7 -63.3 -41.7 -0.6 5.1 36.2 83 94 A I H X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.893 109.7 53.3 -71.0 -38.2 -0.4 5.8 32.5 84 95 A K H X S+ 0 0 93 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.938 110.3 47.2 -57.0 -48.3 3.1 7.4 32.8 85 96 A E H X S+ 0 0 115 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.887 110.7 52.8 -63.0 -38.4 4.3 4.2 34.6 86 97 A Y H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.941 108.9 48.7 -62.7 -46.3 2.8 2.1 31.9 87 98 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.919 112.7 48.6 -61.2 -44.1 4.5 4.0 29.1 88 99 A R H X S+ 0 0 79 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.955 111.9 48.2 -63.6 -43.6 7.9 3.7 30.9 89 100 A L H X S+ 0 0 57 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.910 110.3 53.0 -65.3 -38.2 7.5 -0.1 31.5 90 101 A K H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.891 109.6 47.7 -62.7 -43.4 6.5 -0.5 27.8 91 102 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.852 107.5 56.0 -66.8 -36.9 9.7 1.3 26.7 92 103 A E H X S+ 0 0 60 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.901 107.4 49.6 -58.2 -44.7 11.8 -0.8 29.1 93 104 A V H X S+ 0 0 21 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.893 109.3 51.2 -61.4 -40.4 10.4 -4.0 27.4 94 105 A S H < S+ 0 0 4 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.863 115.2 44.6 -64.7 -36.7 11.2 -2.5 23.9 95 106 A R H < S+ 0 0 67 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.914 124.3 31.9 -69.5 -43.0 14.8 -1.9 25.2 96 107 A D H < S+ 0 0 74 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.766 130.6 27.3 -91.9 -28.3 15.2 -5.2 26.9 97 108 A Y >X + 0 0 114 -4,-3.0 4,-1.6 -5,-0.2 3,-0.6 -0.432 65.3 145.3-131.7 48.6 13.2 -7.7 24.8 98 109 A P H 3> S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.805 71.7 61.9 -61.4 -32.5 13.1 -6.2 21.3 99 110 A Q H 3> S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.847 103.0 51.6 -63.3 -32.6 13.3 -9.7 19.7 100 111 A A H <> S+ 0 0 5 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.923 108.6 50.1 -66.5 -42.8 9.9 -10.4 21.4 101 112 A S H X S+ 0 0 1 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.949 111.8 48.2 -60.0 -44.0 8.4 -7.2 20.0 102 113 A R H X S+ 0 0 78 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.884 109.8 51.1 -66.2 -39.7 9.5 -8.1 16.5 103 114 A L H X S+ 0 0 11 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.918 112.4 47.0 -64.2 -41.5 8.2 -11.7 16.7 104 115 A F H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.934 111.8 50.8 -62.3 -47.8 4.8 -10.4 17.8 105 116 A C H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.928 108.5 52.6 -53.8 -45.9 4.8 -7.8 15.0 106 117 A M H X S+ 0 0 59 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.900 107.3 50.8 -61.4 -40.3 5.7 -10.5 12.4 107 118 A E H <>S+ 0 0 6 -4,-2.0 5,-2.6 2,-0.2 -1,-0.2 0.899 110.8 50.2 -64.4 -40.4 2.7 -12.7 13.6 108 119 A M H ><5S+ 0 0 1 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.928 106.7 54.1 -62.1 -45.0 0.4 -9.6 13.2 109 120 A L H 3<5S+ 0 0 25 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 104.8 55.4 -59.9 -31.0 1.8 -8.9 9.7 110 121 A A T 3<5S- 0 0 69 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.461 127.5 -99.8 -80.1 -1.6 0.9 -12.5 8.8 111 122 A G T < 5 - 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0 0 66 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.469 33.1-116.6 -70.1 155.3 7.8 -10.8 -20.3 238 52 B K H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.883 118.2 56.5 -60.0 -36.7 10.5 -11.3 -17.7 239 53 B T H > S+ 0 0 115 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.900 106.8 47.8 -59.5 -42.6 12.9 -9.6 -20.2 240 54 B N H > S+ 0 0 37 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.897 110.9 52.5 -68.2 -38.2 10.7 -6.5 -20.4 241 55 B L H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.6 0.946 106.9 52.2 -59.8 -46.0 10.5 -6.4 -16.5 242 56 B L H 3< S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.709 99.4 63.7 -66.3 -23.5 14.3 -6.6 -16.3 243 57 B Y H 3< S+ 0 0 178 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.903 113.8 34.4 -61.7 -43.6 14.6 -3.6 -18.7 244 58 B Y H << S+ 0 0 71 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.832 135.9 22.3 -77.1 -41.0 12.8 -1.5 -16.1 245 59 B F < - 0 0 12 -4,-2.5 -1,-0.3 -5,-0.1 6,-0.1 -0.901 68.1-161.1-133.1 102.8 14.3 -3.2 -13.0 246 60 B P S S+ 0 0 105 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.546 74.1 16.4 -71.3 -4.5 17.6 -5.1 -13.6 247 61 B S S > S- 0 0 43 1,-0.1 4,-1.9 -20,-0.0 5,-0.1 -0.973 77.1-110.1-154.7 162.7 17.3 -7.2 -10.4 248 62 B K H > S+ 0 0 42 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.873 120.0 56.9 -61.5 -38.4 14.8 -8.3 -7.8 249 63 B E H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.932 106.3 48.7 -58.6 -42.7 16.7 -6.1 -5.3 250 64 B A H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 112.3 48.5 -68.1 -39.3 16.1 -3.0 -7.6 251 65 B L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.920 111.9 48.4 -67.8 -45.1 12.5 -3.8 -7.9 252 66 B Y H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.931 111.8 49.1 -56.9 -49.5 12.0 -4.3 -4.2 253 67 B I H X S+ 0 0 34 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.898 109.7 53.6 -59.5 -40.3 13.8 -1.0 -3.4 254 68 B A H X S+ 0 0 15 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.883 107.4 49.7 -61.9 -41.2 11.6 0.7 -6.0 255 69 B V H X S+ 0 0 6 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.930 113.6 46.8 -62.4 -45.6 8.4 -0.6 -4.3 256 70 B L H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.879 109.0 53.6 -71.3 -32.5 9.7 0.7 -0.9 257 71 B R H X S+ 0 0 107 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.838 104.4 57.5 -66.7 -32.8 10.7 4.1 -2.2 258 72 B Q H X S+ 0 0 81 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.896 107.8 44.5 -65.2 -43.2 7.2 4.5 -3.6 259 73 B I H X S+ 0 0 5 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.918 112.8 53.5 -69.4 -38.1 5.5 4.1 -0.2 260 74 B L H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.917 108.4 49.5 -55.6 -44.2 8.2 6.4 1.3 261 75 B D H X S+ 0 0 88 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.905 113.1 45.6 -61.3 -45.2 7.3 9.0 -1.3 262 76 B I H < S+ 0 0 61 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.943 116.3 46.2 -63.7 -45.0 3.5 8.7 -0.6 263 77 B W H < S+ 0 0 12 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.853 115.8 44.4 -64.2 -42.6 4.1 8.8 3.2 264 78 B L H X S+ 0 0 14 -4,-2.3 4,-2.9 -5,-0.2 3,-0.5 0.633 83.7 93.7 -85.6 -14.7 6.5 11.8 3.1 265 79 B A H X S+ 0 0 55 -4,-1.2 4,-1.4 -3,-0.3 -1,-0.2 0.880 88.1 46.3 -47.9 -48.8 4.8 14.1 0.7 266 80 B P H 4 S+ 0 0 26 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.882 114.6 47.6 -63.5 -35.5 2.9 16.1 3.5 267 81 B L H >4 S+ 0 0 1 -3,-0.5 3,-1.5 -4,-0.3 -2,-0.2 0.897 107.0 56.1 -73.3 -39.4 6.0 16.4 5.6 268 82 B K H 3< S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.2 0.835 104.0 57.5 -57.2 -32.2 8.1 17.5 2.6 269 83 B A T 3< S+ 0 0 48 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.584 77.6 119.0 -75.3 -17.0 5.6 20.3 2.1 270 84 B F < - 0 0 6 -3,-1.5 2,-0.3 -4,-0.3 60,-0.0 -0.288 42.9-172.8 -53.0 137.4 6.0 21.7 5.6 271 85 B R > - 0 0 130 1,-0.1 3,-2.1 59,-0.0 -2,-0.0 -0.956 36.0-113.6-132.2 152.7 7.2 25.4 5.6 272 86 B E T 3 S+ 0 0 87 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.790 114.3 54.0 -52.8 -35.0 8.3 27.7 8.4 273 87 B D T 3 S+ 0 0 140 2,-0.1 -1,-0.3 3,-0.0 2,-0.0 0.414 83.1 111.5 -91.5 6.1 5.3 30.0 7.9 274 88 B F S < S- 0 0 74 -3,-2.1 3,-0.1 1,-0.1 -4,-0.0 -0.351 83.3-102.4 -65.8 156.1 2.7 27.2 8.2 275 89 B A > - 0 0 63 1,-0.2 4,-2.6 2,-0.0 5,-0.2 -0.732 38.8-146.6 -74.0 116.3 0.4 27.2 11.2 276 90 B P H > S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.883 88.9 43.7 -66.0 -47.4 2.1 24.4 13.1 277 91 B L H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 117.1 48.9 -65.1 -42.1 -0.8 22.7 14.9 278 92 B A H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 110.9 49.9 -58.5 -45.4 -2.9 22.8 11.7 279 93 B A H X S+ 0 0 4 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.905 114.1 44.7 -59.9 -44.6 -0.1 21.4 9.6 280 94 B I H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.892 110.9 54.3 -68.9 -40.1 0.5 18.5 12.0 281 95 B K H X S+ 0 0 105 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.940 110.4 46.0 -59.1 -44.2 -3.2 17.9 12.3 282 96 B E H X S+ 0 0 97 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.904 109.3 55.6 -63.9 -42.7 -3.5 17.6 8.5 283 97 B Y H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.912 105.6 51.9 -56.4 -46.8 -0.4 15.3 8.3 284 98 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.931 110.9 47.5 -58.7 -47.8 -2.0 12.9 10.8 285 99 B R H X S+ 0 0 90 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.940 112.3 48.8 -57.3 -50.5 -5.2 12.7 8.7 286 100 B L H X S+ 0 0 46 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.919 109.8 52.6 -60.6 -36.2 -3.3 12.1 5.4 287 101 B K H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.900 109.3 49.2 -66.5 -39.0 -1.1 9.4 7.1 288 102 B L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.879 106.1 56.5 -70.3 -32.8 -4.3 7.6 8.2 289 103 B E H X S+ 0 0 54 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.916 107.3 49.7 -58.9 -43.3 -5.7 7.8 4.7 290 104 B V H X S+ 0 0 18 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.905 108.0 51.9 -62.3 -42.0 -2.6 6.1 3.5 291 105 B S H < S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.2 45.4 -64.7 -32.0 -3.0 3.3 6.1 292 106 B R H < S+ 0 0 71 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.911 122.5 34.5 -71.9 -44.1 -6.6 2.8 4.9 293 107 B D H < S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.746 129.3 28.1 -86.6 -30.9 -5.8 2.9 1.2 294 108 B Y X + 0 0 102 -4,-3.0 4,-1.6 -5,-0.2 3,-0.4 -0.388 65.1 145.2-129.1 55.0 -2.4 1.2 1.0 295 109 B P H > S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.822 71.9 60.2 -66.3 -28.6 -2.1 -1.2 4.0 296 110 B Q H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.871 104.8 49.4 -65.0 -36.1 -0.1 -3.8 1.9 297 111 B A H > S+ 0 0 8 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.908 109.8 51.0 -69.3 -41.0 2.6 -1.2 1.4 298 112 B S H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.936 110.9 48.8 -61.4 -43.9 2.7 -0.3 5.1 299 113 B R H X S+ 0 0 72 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.877 110.0 50.8 -63.7 -43.2 3.0 -4.0 6.0 300 114 B L H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.921 110.6 48.8 -63.6 -39.7 5.9 -4.6 3.4 301 115 B F H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.939 110.8 51.0 -64.5 -44.7 7.8 -1.6 4.8 302 116 B C H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.934 108.1 52.5 -58.9 -42.6 7.3 -2.9 8.4 303 117 B M H X S+ 0 0 53 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.909 107.5 51.8 -61.3 -42.6 8.6 -6.4 7.3 304 118 B E H <>S+ 0 0 5 -4,-2.2 5,-2.5 1,-0.2 -1,-0.2 0.909 110.2 49.5 -60.7 -40.8 11.7 -4.8 5.8 305 119 B M H ><5S+ 0 0 2 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.913 107.3 53.7 -63.7 -44.8 12.3 -3.0 9.2 306 120 B L H 3<5S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 104.9 55.7 -59.2 -32.1 11.8 -6.2 11.2 307 121 B A T 3<5S- 0 0 68 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.496 127.9 -99.9 -76.3 -4.9 14.5 -7.8 9.1 308 122 B G T < 5 - 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