==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 24-SEP-09 3K0L . COMPND 2 MOLECULE: REPRESSOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER SP. ADP1; . AUTHOR Y.KIM,G.JOACHIMIAK,L.BIGELOW,G.COBB,A.JOACHIMIAK,MIDWEST . 279 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 75.3 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 . 12 4.3 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 . 1 0.4 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 . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 55.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 1 1 0 2 0 2 0 0 0 0 2 0 0 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 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 ANTIPARALLEL 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 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 E 0 0 199 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.1 30.6 7.4 64.9 2 13 A E + 0 0 100 3,-0.0 4,-0.2 4,-0.0 0, 0.0 0.601 360.0 109.4 -89.6 -13.6 26.8 7.7 64.7 3 14 A E + 0 0 101 2,-0.1 2,-0.1 3,-0.0 3,-0.0 -0.890 62.5 38.9-113.9 145.5 26.4 11.5 64.1 4 15 A P S S- 0 0 30 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 0.679 96.3-125.0 -72.5 158.8 25.5 13.0 61.7 5 16 A R > - 0 0 20 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.361 12.0-120.1 -73.4 148.5 22.8 10.5 60.7 6 17 A L H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.923 117.2 50.6 -50.0 -47.0 22.8 9.0 57.2 7 18 A S H > S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 108.9 50.9 -64.0 -37.4 19.3 10.5 56.7 8 19 A Y H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.929 110.9 49.6 -60.4 -41.6 20.5 13.9 57.9 9 20 A X H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.820 104.3 57.7 -70.8 -33.2 23.4 13.7 55.4 10 21 A I H X S+ 0 0 1 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.938 107.8 47.5 -61.4 -44.6 21.2 12.7 52.5 11 22 A A H X S+ 0 0 10 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.900 109.6 55.3 -62.0 -44.7 19.1 16.0 53.0 12 23 A R H X S+ 0 0 25 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.901 110.4 41.9 -51.7 -51.9 22.3 18.1 53.2 13 24 A V H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.936 110.7 58.2 -67.1 -45.9 23.7 16.9 49.8 14 25 A D H X S+ 0 0 6 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.879 106.0 49.4 -50.2 -43.7 20.3 17.2 48.2 15 26 A R H X S+ 0 0 78 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.925 112.0 46.2 -67.6 -41.3 20.1 20.9 49.1 16 27 A I H X S+ 0 0 7 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.925 111.9 52.4 -66.2 -41.3 23.5 21.7 47.8 17 28 A I H X S+ 0 0 7 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.921 109.0 49.6 -57.6 -48.7 22.8 19.8 44.6 18 29 A S H X S+ 0 0 40 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.921 110.9 50.0 -56.1 -46.0 19.6 21.7 44.0 19 30 A K H X S+ 0 0 89 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.893 112.7 47.3 -59.8 -40.5 21.4 25.0 44.5 20 31 A Y H X S+ 0 0 6 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.938 115.0 44.6 -67.8 -48.5 24.1 23.9 42.1 21 32 A L H X S+ 0 0 9 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.911 108.8 55.6 -67.2 -42.0 21.6 22.8 39.4 22 33 A T H X S+ 0 0 66 -4,-3.1 4,-1.4 -5,-0.3 -1,-0.2 0.961 111.0 46.7 -52.7 -48.4 19.3 25.8 39.8 23 34 A E H X S+ 0 0 124 -4,-1.8 4,-0.5 -5,-0.2 -2,-0.2 0.917 117.1 40.3 -60.6 -48.1 22.3 28.0 39.1 24 35 A H H >< S+ 0 0 61 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.814 110.3 56.6 -71.9 -36.2 23.7 26.1 36.0 25 36 A L H >X>S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.2 5,-1.2 0.766 88.9 76.8 -70.6 -29.0 20.4 25.3 34.4 26 37 A S H ><5S+ 0 0 83 -4,-1.4 3,-1.8 -5,-0.3 -1,-0.2 0.905 92.8 52.6 -43.9 -48.8 19.4 29.0 34.3 27 38 A A T <<5S+ 0 0 83 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.725 106.2 52.7 -65.2 -21.3 21.8 29.4 31.3 28 39 A L T <45S- 0 0 33 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.427 112.5-126.3 -90.1 -1.5 20.0 26.5 29.6 29 40 A E T <<5S+ 0 0 164 -3,-1.8 2,-0.3 -4,-0.5 -3,-0.2 0.920 72.5 113.7 55.4 47.7 16.8 28.4 30.2 30 41 A I < - 0 0 8 -5,-1.2 -2,-0.2 -8,-0.1 -1,-0.2 -0.987 63.6-125.3-141.3 139.4 15.1 25.5 31.9 31 42 A S > - 0 0 44 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.501 26.1-113.0 -78.3 158.6 14.1 25.3 35.6 32 43 A L H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.937 118.3 49.8 -52.0 -49.7 15.2 22.4 37.8 33 44 A P H > S+ 0 0 48 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.867 110.9 49.3 -58.5 -42.0 11.6 21.1 38.1 34 45 A Q H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.899 111.8 48.8 -63.6 -40.8 11.1 21.2 34.3 35 46 A F H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.961 111.6 49.4 -66.6 -49.2 14.4 19.3 33.8 36 47 A T H X S+ 0 0 12 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.919 113.2 45.3 -49.9 -51.7 13.5 16.7 36.4 37 48 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.863 113.0 51.1 -65.5 -38.8 10.0 16.0 34.8 38 49 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.891 112.1 46.8 -62.4 -41.3 11.5 16.0 31.3 39 50 A S H X S+ 0 0 27 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.878 113.7 48.2 -74.0 -35.5 14.1 13.5 32.4 40 51 A V H X S+ 0 0 10 -4,-2.5 4,-2.1 -5,-0.2 3,-0.4 0.927 111.2 50.2 -67.2 -45.0 11.4 11.4 34.2 41 52 A L H < S+ 0 0 2 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.777 102.3 61.5 -65.3 -26.9 9.1 11.4 31.2 42 53 A A H < S+ 0 0 42 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.6 35.9 -67.6 -34.8 11.9 10.3 28.9 43 54 A A H < S+ 0 0 79 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.775 133.8 25.2 -83.5 -29.9 12.2 7.1 30.9 44 55 A K >< + 0 0 99 -4,-2.1 3,-1.3 -5,-0.1 -1,-0.2 -0.680 62.7 174.0-143.5 81.1 8.5 6.7 31.6 45 56 A P T 3 S+ 0 0 54 0, 0.0 45,-1.4 0, 0.0 -4,-0.1 0.473 75.2 60.4 -70.9 -4.3 6.3 8.4 29.0 46 57 A N T 3 S+ 0 0 67 43,-0.1 42,-0.1 2,-0.0 -5,-0.1 0.324 70.6 136.1-111.9 6.8 3.0 7.0 30.5 47 58 A L < - 0 0 34 -3,-1.3 2,-0.1 -7,-0.1 -3,-0.0 -0.274 52.2-126.2 -59.7 133.6 3.1 8.5 34.0 48 59 A S > - 0 0 46 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.393 33.8-101.9 -68.1 158.5 -0.1 9.9 35.4 49 60 A N H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.794 122.3 55.4 -48.6 -32.0 0.2 13.5 36.8 50 61 A A H > S+ 0 0 60 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.945 110.1 40.0 -73.8 -48.4 0.3 12.1 40.3 51 62 A K H > S+ 0 0 109 1,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.840 115.2 56.5 -69.1 -28.2 3.2 9.7 39.8 52 63 A L H X S+ 0 0 1 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.949 105.5 48.1 -65.9 -50.4 4.9 12.4 37.7 53 64 A A H X>S+ 0 0 1 -4,-2.2 5,-2.5 1,-0.2 4,-0.6 0.844 112.5 50.5 -59.8 -36.7 4.7 15.1 40.4 54 65 A E H ><5S+ 0 0 95 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.918 113.3 42.5 -69.0 -44.8 6.2 12.6 43.0 55 66 A R H 3<5S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.596 117.4 49.9 -78.4 -10.9 9.1 11.5 40.8 56 67 A S H 3<5S- 0 0 3 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.464 108.1-124.9-101.8 -6.9 9.7 15.2 39.9 57 68 A F T <<5 + 0 0 43 -3,-0.6 2,-0.3 -4,-0.6 -3,-0.2 0.844 68.0 123.4 64.6 38.7 9.6 16.5 43.5 58 69 A I S - 0 0 130 -2,-0.3 3,-2.5 1,-0.1 4,-0.5 -0.438 38.0-123.4 -61.4 134.9 3.3 19.6 44.3 60 71 A P G > S+ 0 0 83 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.727 114.0 58.8 -55.3 -25.2 0.7 17.4 42.5 61 72 A Q G 3 S+ 0 0 132 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.702 100.5 56.6 -73.1 -23.7 -1.2 20.6 41.7 62 73 A S G <> S+ 0 0 35 -3,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.514 82.7 89.8 -86.4 -5.0 1.9 21.9 39.9 63 74 A A H <> S+ 0 0 0 -3,-0.6 4,-2.0 -4,-0.5 -1,-0.2 0.891 85.0 48.6 -61.8 -46.1 2.0 18.9 37.6 64 75 A N H > S+ 0 0 87 -4,-0.3 4,-2.7 -3,-0.3 -1,-0.2 0.902 110.8 51.8 -57.2 -43.8 -0.3 20.4 34.8 65 76 A K H > S+ 0 0 117 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.867 107.5 51.6 -66.6 -36.0 1.7 23.6 34.8 66 77 A I H X S+ 0 0 12 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.916 111.0 47.9 -67.1 -43.4 5.0 21.7 34.3 67 78 A L H X S+ 0 0 10 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.935 109.2 53.7 -57.1 -49.3 3.5 19.8 31.4 68 79 A Q H X S+ 0 0 98 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.845 109.6 49.3 -55.6 -36.5 2.3 23.1 29.9 69 80 A D H X S+ 0 0 37 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.901 111.8 46.8 -68.9 -42.3 5.8 24.5 30.2 70 81 A L H <>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 6,-1.0 0.885 115.0 47.2 -71.4 -39.4 7.4 21.5 28.5 71 82 A L H ><5S+ 0 0 63 -4,-2.8 3,-1.3 3,-0.2 -2,-0.2 0.918 110.7 50.6 -60.4 -49.0 4.8 21.6 25.7 72 83 A A H 3<5S+ 0 0 90 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.880 111.1 49.7 -64.3 -35.9 5.2 25.3 25.2 73 84 A N T 3<5S- 0 0 79 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.500 113.1-123.8 -75.5 -7.5 9.0 24.9 24.9 74 85 A G T < 5S+ 0 0 32 -3,-1.3 22,-0.4 -4,-0.2 21,-0.3 0.724 76.8 123.4 72.9 22.5 8.3 22.1 22.4 75 86 A W S - 0 0 7 -18,-1.5 4,-2.9 -2,-0.6 5,-0.2 -0.246 23.0-101.7 -76.0 165.0 10.5 15.3 21.1 94 105 A P H > S+ 0 0 115 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.836 128.6 50.1 -52.4 -35.3 13.9 15.4 19.3 95 106 A S H > S+ 0 0 61 -21,-0.3 4,-2.5 2,-0.2 -20,-0.2 0.865 109.6 50.7 -72.3 -36.1 14.3 19.0 20.7 96 107 A G H > S+ 0 0 0 -22,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.879 110.2 49.9 -63.4 -41.0 13.3 17.7 24.1 97 108 A L H X S+ 0 0 91 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.898 110.2 49.8 -69.7 -37.6 16.0 14.9 23.8 98 109 A D H X S+ 0 0 89 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.949 111.9 48.3 -59.2 -49.3 18.6 17.5 22.8 99 110 A K H X S+ 0 0 26 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.928 109.7 52.1 -58.5 -43.8 17.7 19.7 25.7 100 111 A L H X S+ 0 0 13 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.898 107.9 53.2 -61.6 -37.7 17.8 16.7 28.1 101 112 A N H X S+ 0 0 81 -4,-2.2 4,-1.1 2,-0.2 -1,-0.3 0.834 106.4 51.8 -66.1 -33.0 21.3 16.0 26.7 102 113 A Q H X S+ 0 0 62 -4,-1.8 4,-1.1 -3,-0.3 -2,-0.2 0.902 112.5 45.4 -68.4 -40.6 22.4 19.5 27.5 103 114 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.848 107.4 58.1 -70.4 -38.9 21.1 19.2 31.1 104 115 A N H X S+ 0 0 27 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.799 102.1 54.8 -60.8 -29.9 22.7 15.8 31.5 105 116 A Q H X S+ 0 0 89 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.845 108.4 49.6 -70.6 -34.3 26.1 17.4 30.6 106 117 A V H X S+ 0 0 15 -4,-1.1 4,-2.3 2,-0.2 3,-0.2 0.947 111.0 48.9 -66.3 -47.0 25.5 19.8 33.5 107 118 A V H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.878 108.2 53.7 -54.8 -43.4 24.6 16.9 35.8 108 119 A Q H X S+ 0 0 71 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.848 108.8 49.9 -66.0 -31.7 27.8 15.1 34.8 109 120 A Q H X S+ 0 0 109 -4,-1.3 4,-2.3 -3,-0.2 -2,-0.2 0.890 109.9 50.6 -71.9 -40.3 29.8 18.2 35.7 110 121 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.933 113.3 45.2 -57.3 -48.5 28.1 18.4 39.0 111 122 A E H X S+ 0 0 20 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.917 109.0 55.9 -69.4 -37.5 28.9 14.7 39.7 112 123 A A H < S+ 0 0 68 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.936 115.1 38.8 -57.1 -48.3 32.5 15.1 38.5 113 124 A Q H >< S+ 0 0 74 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.930 116.6 51.1 -64.2 -46.5 33.1 17.9 41.0 114 125 A X H 3< S+ 0 0 0 -4,-2.7 161,-0.3 1,-0.3 -2,-0.2 0.762 108.4 50.2 -66.4 -32.7 31.0 16.3 43.8 115 126 A L T >< S+ 0 0 21 -4,-2.5 3,-2.0 -5,-0.2 -1,-0.3 0.116 73.9 150.7-100.5 24.7 32.8 12.9 43.6 116 127 A Q T < S+ 0 0 124 -3,-1.4 3,-0.1 1,-0.3 159,-0.1 -0.363 78.7 4.8 -52.0 117.1 36.3 14.3 43.7 117 128 A G T 3 S+ 0 0 69 1,-0.2 2,-0.5 -2,-0.2 -1,-0.3 0.805 103.0 119.3 70.6 27.2 38.4 11.6 45.4 118 129 A V S < S- 0 0 15 -3,-2.0 -1,-0.2 153,-0.0 5,-0.1 -0.998 72.9-112.6-120.8 124.7 35.6 9.1 45.5 119 130 A D >> - 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0 0 6 -5,-1.0 -2,-0.3 66,-0.0 -1,-0.2 -0.991 64.5-127.1-144.3 135.6 7.6 19.1 66.8 173 42 B S > - 0 0 46 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.443 27.5-110.2 -75.9 161.9 7.9 20.0 63.2 174 43 B L H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 118.9 49.0 -58.3 -46.2 10.6 18.6 61.0 175 44 B P H > S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.883 111.5 51.0 -61.9 -37.4 12.4 22.0 60.7 176 45 B Q H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.876 111.2 46.8 -65.7 -38.2 12.3 22.4 64.4 177 46 B F H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.940 113.2 49.3 -69.4 -47.4 13.7 19.0 65.0 178 47 B T H X S+ 0 0 15 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.932 112.9 46.0 -55.6 -49.5 16.5 19.6 62.5 179 48 B A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.912 112.2 51.5 -59.9 -45.8 17.4 23.0 64.0 180 49 B L H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.869 110.2 49.6 -60.4 -37.9 17.4 21.5 67.5 181 50 B S H X S+ 0 0 30 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.881 111.6 48.1 -65.5 -45.3 19.7 18.6 66.3 182 51 B V H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.896 111.4 49.7 -63.9 -43.2 22.1 21.0 64.7 183 52 B L H < S+ 0 0 4 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.823 106.8 56.2 -67.8 -31.0 22.2 23.3 67.8 184 53 B A H < S+ 0 0 42 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.948 115.3 38.0 -61.0 -47.6 22.8 20.2 70.0 185 54 B A H < S+ 0 0 78 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.796 134.9 19.2 -69.1 -35.4 25.9 19.4 67.9 186 55 B K < + 0 0 92 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.702 64.2 174.7-146.2 82.5 27.2 23.0 67.3 187 56 B P + 0 0 46 0, 0.0 2,-0.9 0, 0.0 42,-0.6 0.725 70.0 67.6 -69.4 -26.1 25.7 25.4 69.8 188 57 B N S S+ 0 0 120 40,-0.1 2,-0.3 2,-0.0 40,-0.1 -0.854 73.1 137.2 -97.7 99.7 27.7 28.5 68.7 189 58 B L - 0 0 35 -2,-0.9 40,-0.0 4,-0.0 -3,-0.0 -0.996 52.0-119.4-153.8 131.4 26.3 29.1 65.2 190 59 B S > - 0 0 70 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.303 33.0-111.9 -70.3 159.4 25.3 32.1 63.2 191 60 B N H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.859 120.5 53.0 -57.1 -33.5 21.6 32.5 62.1 192 61 B A H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.934 110.2 43.1 -68.0 -50.8 23.0 32.0 58.6 193 62 B K H > S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.934 115.1 51.2 -62.3 -45.4 24.9 28.8 59.3 194 63 B L H X S+ 0 0 3 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.922 107.2 53.0 -57.8 -46.9 22.0 27.4 61.3 195 64 B A H <>S+ 0 0 1 -4,-2.3 5,-2.8 -5,-0.3 4,-0.2 0.882 113.4 43.4 -56.5 -40.8 19.5 28.2 58.5 196 65 B E H ><5S+ 0 0 53 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.892 113.7 48.5 -75.8 -39.8 21.6 26.3 55.9 197 66 B R H 3<5S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.668 115.1 48.9 -74.8 -9.4 22.3 23.4 58.2 198 67 B S T 3<5S- 0 0 2 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.414 109.2-122.6-106.9 -3.6 18.6 23.3 59.0 199 68 B F T < 5S+ 0 0 41 -3,-1.0 2,-0.3 -4,-0.2 -3,-0.2 0.891 70.2 123.6 60.2 42.0 17.4 23.4 55.4 200 69 B I S - 0 0 127 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.400 41.4-114.0 -64.1 143.5 15.5 29.9 54.1 202 71 B P G > S+ 0 0 89 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.739 111.9 61.2 -55.8 -26.5 17.7 32.3 56.2 203 72 B Q G > S+ 0 0 125 1,-0.2 3,-0.5 2,-0.1 4,-0.4 0.798 99.4 54.0 -73.2 -27.6 14.7 34.6 57.0 204 73 B S G <> S+ 0 0 31 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.520 81.7 94.9 -82.6 -2.0 12.8 31.9 58.8 205 74 B A H <> S+ 0 0 0 -3,-0.9 4,-2.0 -4,-0.4 -1,-0.2 0.865 84.5 49.0 -57.0 -41.4 15.8 31.2 61.1 206 75 B N H <> S+ 0 0 112 -3,-0.5 4,-2.5 -4,-0.3 -1,-0.2 0.877 107.4 54.3 -64.9 -42.4 14.4 33.6 63.8 207 76 B K H > S+ 0 0 132 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.941 109.7 48.4 -57.4 -45.4 11.0 32.1 63.7 208 77 B I H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.918 110.3 50.5 -62.5 -43.8 12.6 28.6 64.3 209 78 B L H X S+ 0 0 11 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.953 108.9 52.0 -57.8 -48.8 14.6 29.9 67.3 210 79 B Q H X S+ 0 0 117 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.868 108.9 51.0 -56.8 -39.0 11.5 31.5 68.8 211 80 B D H X S+ 0 0 29 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.940 109.9 48.8 -63.5 -45.8 9.7 28.2 68.6 212 81 B L H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 6,-0.9 0.896 116.0 44.7 -63.8 -39.2 12.6 26.3 70.3 213 82 B L H ><5S+ 0 0 68 -4,-2.5 3,-1.3 3,-0.2 -2,-0.2 0.904 110.6 51.8 -67.2 -47.9 12.6 29.0 73.0 214 83 B A H 3<5S+ 0 0 73 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.886 111.4 49.5 -61.3 -35.7 8.8 29.1 73.5 215 84 B N T 3<5S- 0 0 84 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.504 113.4-119.7 -78.7 -6.2 8.8 25.3 73.9 216 85 B G T < 5S+ 0 0 35 -3,-1.3 19,-0.4 -4,-0.2 18,-0.3 0.714 77.3 123.2 77.4 22.0 11.6 25.4 76.4 217 86 B W S - 0 0 10 -15,-1.2 4,-2.3 -2,-0.6 5,-0.2 -0.153 20.0-102.3 -71.0 169.2 17.9 22.4 77.8 233 105 B P H > S+ 0 0 105 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.914 128.2 50.4 -55.0 -46.9 17.3 18.9 79.4 234 106 B S H > S+ 0 0 62 -18,-0.3 4,-1.9 1,-0.2 -17,-0.2 0.889 110.1 50.8 -54.3 -44.8 13.8 19.0 78.0 235 107 B G H > S+ 0 0 0 -19,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.891 110.2 49.3 -60.5 -41.0 15.3 19.9 74.7 236 108 B L H X S+ 0 0 94 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.911 111.0 48.5 -72.3 -41.6 17.7 16.9 74.9 237 109 B D H X S+ 0 0 91 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.819 110.4 52.1 -63.0 -33.1 14.9 14.5 75.9 238 110 B K H X S+ 0 0 25 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.936 108.5 50.8 -67.3 -47.2 12.8 15.8 73.0 239 111 B L H X S+ 0 0 11 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.915 107.8 53.9 -52.3 -49.6 15.8 15.2 70.7 240 112 B N H X S+ 0 0 79 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.854 106.8 49.9 -56.4 -41.3 16.0 11.7 72.0 241 113 B Q H X S+ 0 0 63 -4,-1.7 4,-1.4 2,-0.2 3,-0.3 0.963 113.1 47.4 -60.5 -49.6 12.4 10.9 71.3 242 114 B C H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.3 0.919 107.0 57.2 -58.5 -42.7 12.9 12.2 67.7 243 115 B N H X S+ 0 0 37 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.842 101.4 56.5 -58.5 -35.1 16.1 10.1 67.3 244 116 B Q H X S+ 0 0 101 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.917 107.6 48.9 -58.7 -40.9 14.1 7.0 68.1 245 117 B V H X S+ 0 0 13 -4,-1.4 4,-2.2 -3,-0.3 -2,-0.2 0.926 112.8 47.1 -65.6 -43.6 11.8 7.9 65.2 246 118 B V H X S+ 0 0 3 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.928 109.7 53.2 -60.0 -47.2 14.9 8.4 63.0 247 119 B Q H X S+ 0 0 108 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.882 110.4 47.8 -56.2 -40.9 16.4 5.1 64.1 248 120 B Q H X S+ 0 0 98 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.905 112.9 48.3 -67.4 -44.7 13.2 3.3 63.2 249 121 B L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.926 114.0 46.8 -55.3 -49.1 13.1 5.0 59.8 250 122 B E H X S+ 0 0 17 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.891 108.1 54.4 -69.5 -35.1 16.8 4.1 59.2 251 123 B A H < S+ 0 0 63 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.856 114.7 41.3 -63.3 -38.5 16.4 0.5 60.3 252 124 B Q H >< S+ 0 0 55 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.910 113.1 53.1 -75.5 -45.4 13.6 0.1 57.7 253 125 B X H 3< S+ 0 0 0 -4,-2.8 -117,-0.2 1,-0.3 -2,-0.2 0.872 110.4 49.7 -53.2 -41.6 15.4 2.1 55.0 254 126 B L T >< S+ 0 0 24 -4,-2.4 3,-2.4 -5,-0.2 2,-0.4 0.129 70.2 141.8 -96.8 19.1 18.5 -0.1 55.4 255 127 B Q T < S+ 0 0 126 -3,-1.5 3,-0.1 1,-0.3 -119,-0.1 -0.451 82.6 12.2 -56.4 118.2 17.0 -3.5 55.2 256 128 B G T 3 S+ 0 0 76 -2,-0.4 2,-0.5 1,-0.3 -1,-0.3 0.534 101.5 115.4 87.3 3.5 19.5 -5.5 53.1 257 129 B V S < S- 0 0 15 -3,-2.4 -1,-0.3 -125,-0.0 5,-0.1 -0.941 72.1-119.0-104.7 125.7 22.3 -2.8 53.4 258 130 B D > - 0 0 98 -2,-0.5 4,-2.0 1,-0.2 3,-0.4 -0.385 19.5-129.5 -59.5 133.9 25.4 -3.9 55.3 259 131 B I H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.849 109.5 56.9 -53.7 -37.8 25.7 -1.5 58.3 260 132 B N H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 106.4 49.1 -62.3 -38.9 29.4 -0.9 57.3 261 133 B L H > S+ 0 0 27 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.868 105.4 57.1 -68.2 -38.7 28.2 0.2 53.9 262 134 B A H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.921 111.9 42.7 -59.2 -42.3 25.6 2.6 55.5 263 135 B F H X S+ 0 0 71 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.873 110.6 54.8 -73.3 -36.5 28.4 4.3 57.4 264 136 B L H X S+ 0 0 73 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.907 110.3 48.3 -58.1 -43.4 30.7 4.3 54.4 265 137 B I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.916 109.0 51.1 -63.9 -46.9 27.9 6.1 52.5 266 138 B R H X S+ 0 0 12 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.918 110.9 50.6 -56.3 -43.6 27.3 8.7 55.3 267 139 B N H X S+ 0 0 67 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.902 109.6 49.1 -64.0 -43.9 31.1 9.4 55.3 268 140 B N H X S+ 0 0 16 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.808 104.9 57.6 -69.2 -32.1 31.2 9.9 51.6 269 141 B L H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.901 104.0 54.6 -59.2 -42.0 28.2 12.3 51.6 270 142 B E H X S+ 0 0 64 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.889 108.1 49.2 -54.5 -41.2 30.3 14.4 54.0 271 143 B L H X S+ 0 0 76 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.919 108.0 52.6 -64.0 -45.5 32.9 14.4 51.4 272 144 B X H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.876 105.4 55.7 -57.4 -41.6 30.5 15.4 48.7 273 145 B V H < S+ 0 0 18 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.901 108.7 47.5 -58.0 -43.5 29.4 18.3 50.8 274 146 B K H >< S+ 0 0 155 -4,-1.4 3,-1.4 1,-0.2 4,-0.2 0.867 107.1 56.7 -65.6 -38.9 33.0 19.5 51.0 275 147 B N H 3< S+ 0 0 35 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.748 114.5 38.5 -64.4 -23.5 33.4 19.1 47.3 276 148 B L T >< S+ 0 0 1 -4,-1.2 3,-2.1 -3,-0.4 4,-0.4 0.047 77.8 124.0-115.2 22.2 30.5 21.5 46.6 277 149 B S G X> + 0 0 62 -3,-1.4 3,-1.6 1,-0.3 4,-0.7 0.832 62.9 69.3 -50.2 -40.5 31.3 23.9 49.5 278 150 B T G 34 S+ 0 0 108 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.734 104.3 44.2 -52.0 -21.4 31.4 26.9 47.1 279 151 B F G <4 S+ 0 0 49 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.491 86.5 88.5-105.7 -8.2 27.6 26.4 46.7 280 152 B S T <4 0 0 23 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.1 0.899 360.0 360.0 -51.3 -43.2 26.8 25.9 50.3 281 153 B S < 0 0 128 -4,-0.7 -2,-0.1 -3,-0.1 -3,-0.1 0.932 360.0 360.0 -86.8 360.0 26.4 29.7 50.6