==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR/RNA 07-APR-12 4EJT . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR TCAR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR Y.M.CHANG,C.K.-M.CHEN,A.H.-J.WANG . 278 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 76.6 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 . 6 2.2 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 . 2 0.7 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 . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 56.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 1 0 1 0 0 2 1 1 0 1 0 0 1 1 0 1 0 0 0 0 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 . 3 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 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 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 R 0 0 261 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.5 28.7 -8.1 17.0 2 4 A R - 0 0 214 1,-0.1 3,-0.2 2,-0.1 4,-0.1 0.989 360.0 -7.1 -63.4 -75.0 25.4 -6.1 17.4 3 5 A I S >> S+ 0 0 49 1,-0.2 4,-1.0 2,-0.1 3,-0.9 0.439 113.2 90.9-104.9 0.7 25.2 -3.1 15.0 4 6 A E H 3> S+ 0 0 53 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.695 75.4 72.0 -63.5 -18.8 28.8 -3.7 13.8 5 7 A D H 3> S+ 0 0 76 -4,-0.3 4,-1.3 -3,-0.2 -1,-0.3 0.898 95.1 48.3 -64.9 -43.2 27.1 -5.8 11.2 6 8 A H H <> S+ 0 0 64 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.833 116.4 40.4 -70.5 -34.5 25.7 -2.8 9.4 7 9 A I H X S+ 0 0 25 -4,-1.0 4,-3.1 2,-0.2 5,-0.3 0.882 109.5 57.3 -83.3 -36.4 28.9 -0.9 9.2 8 10 A S H X S+ 0 0 45 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.905 112.8 45.3 -57.3 -31.3 31.1 -3.8 8.5 9 11 A F H X S+ 0 0 21 -4,-1.3 4,-2.8 -5,-0.2 -1,-0.2 0.881 109.3 53.3 -75.6 -39.7 28.7 -4.2 5.5 10 12 A L H X S+ 0 0 36 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.868 113.4 44.7 -62.2 -36.2 28.9 -0.5 4.7 11 13 A E H X S+ 0 0 27 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.903 111.6 49.4 -76.9 -42.4 32.7 -0.8 4.6 12 14 A K H X S+ 0 0 67 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.902 113.4 52.6 -63.1 -32.0 32.7 -4.0 2.7 13 15 A F H X S+ 0 0 16 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.975 108.9 44.5 -66.5 -53.6 30.3 -2.0 0.4 14 16 A I H X S+ 0 0 13 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.927 109.6 60.6 -55.6 -42.1 32.5 1.1 -0.1 15 17 A N H X S+ 0 0 17 -4,-2.5 4,-4.2 1,-0.2 -1,-0.2 0.916 105.5 44.8 -47.1 -55.4 35.4 -1.3 -0.7 16 18 A D H X S+ 0 0 16 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.849 111.0 53.6 -61.6 -35.5 33.8 -3.0 -3.7 17 19 A V H X S+ 0 0 28 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.935 114.3 43.2 -66.0 -41.9 32.8 0.4 -5.1 18 20 A N H X S+ 0 0 55 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.966 113.0 50.9 -66.5 -53.0 36.4 1.4 -4.8 19 21 A T H X S+ 0 0 2 -4,-4.2 4,-2.6 1,-0.2 -2,-0.2 0.908 116.8 41.7 -49.1 -48.0 37.7 -1.9 -6.1 20 22 A L H X S+ 0 0 22 -4,-2.7 4,-3.3 2,-0.2 -1,-0.2 0.902 112.1 50.5 -69.1 -46.9 35.4 -1.6 -9.2 21 23 A T H X S+ 0 0 23 -4,-2.7 4,-0.5 -5,-0.3 -1,-0.2 0.951 112.6 52.0 -59.7 -40.2 35.8 2.0 -9.9 22 24 A A H >X S+ 0 0 14 -4,-2.9 3,-1.6 -5,-0.2 4,-1.0 0.973 113.7 40.0 -57.6 -60.2 39.5 1.3 -9.8 23 25 A K H >< S+ 0 0 66 -4,-2.6 3,-1.1 1,-0.3 4,-0.4 0.945 113.5 54.5 -54.8 -52.1 39.4 -1.6 -12.2 24 26 A L H 3< S+ 0 0 45 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.486 112.1 45.0 -64.1 -2.9 36.9 0.1 -14.5 25 27 A L H S+ 0 0 114 -3,-1.1 4,-3.8 -4,-1.0 3,-1.0 0.978 90.8 47.6 -49.5 -77.0 42.7 1.8 -15.4 27 29 A D H 3>5S+ 0 0 103 -4,-0.4 4,-1.3 1,-0.3 -1,-0.2 0.791 118.7 46.7 -35.7 -34.1 42.5 1.5 -19.2 28 30 A L H 3>5S+ 0 0 27 2,-0.2 4,-0.7 1,-0.1 -1,-0.3 0.860 113.5 42.5 -81.9 -39.0 41.1 5.0 -19.0 29 31 A Q H <<>S+ 0 0 10 -4,-3.0 5,-2.9 -3,-1.0 3,-0.2 0.824 116.6 51.1 -75.1 -31.5 43.6 6.6 -16.6 30 32 A T H ><5S+ 0 0 94 -4,-3.8 3,-0.5 -5,-0.3 -2,-0.2 0.891 105.6 56.0 -69.6 -39.1 46.3 4.8 -18.5 31 33 A E H 3<> S+ 0 0 17 164,-0.4 4,-3.3 1,-0.2 3,-1.3 0.900 116.0 53.5 -78.0 -43.3 44.4 7.0 -9.7 37 39 A E H 3> S+ 0 0 38 1,-0.3 4,-1.6 2,-0.3 -1,-0.2 0.756 107.1 49.3 -63.9 -27.4 45.3 9.3 -6.9 38 40 A Q H 34 S+ 0 0 17 2,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.501 113.3 51.6 -90.2 -0.4 45.8 12.2 -9.2 39 41 A S H X> S+ 0 0 5 -3,-1.3 4,-1.6 2,-0.2 3,-1.2 0.810 106.3 49.1 -94.9 -45.4 42.4 11.2 -10.6 40 42 A H H >X S+ 0 0 62 -4,-3.3 4,-1.8 1,-0.3 3,-1.2 0.972 110.5 53.6 -55.1 -46.8 40.7 11.1 -7.3 41 43 A V H 3< S+ 0 0 19 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.701 109.7 51.1 -57.7 -18.4 42.3 14.5 -7.0 42 44 A L H <4 S+ 0 0 7 -3,-1.2 4,-0.4 2,-0.1 -1,-0.3 0.656 101.8 54.8 -97.2 -21.2 40.6 15.2 -10.3 43 45 A N H XX S+ 0 0 10 -4,-1.6 3,-1.2 -3,-1.2 4,-0.5 0.872 101.2 60.5 -79.6 -33.8 37.1 14.2 -9.4 44 46 A M H 3X S+ 0 0 15 -4,-1.8 4,-0.9 1,-0.3 -1,-0.2 0.621 104.6 51.8 -64.2 -13.0 37.0 16.6 -6.5 45 47 A L H 34 S+ 0 0 11 -3,-0.2 -1,-0.3 -5,-0.2 -2,-0.2 0.593 92.7 69.6 -97.8 -16.1 37.7 19.4 -9.0 46 48 A S H <4 S+ 0 0 46 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.651 101.9 52.0 -74.6 -12.2 34.7 18.3 -11.2 47 49 A I H < S- 0 0 111 -4,-0.5 -2,-0.2 1,-0.1 -3,-0.1 0.897 131.5 -55.9 -81.7 -81.5 32.7 19.6 -8.3 48 50 A E S < S- 0 0 124 -4,-0.9 2,-0.4 40,-0.1 -1,-0.1 0.003 75.4 -53.4-129.2-126.4 34.3 23.1 -7.9 49 51 A A - 0 0 22 39,-0.1 2,-0.4 -3,-0.1 39,-0.2 -0.979 50.4-149.1-127.6 141.9 37.9 24.4 -7.4 50 52 A L - 0 0 14 37,-1.9 37,-0.5 -2,-0.4 2,-0.3 -0.904 10.5-143.1-125.9 147.1 40.3 23.4 -4.6 51 53 A T > - 0 0 36 -2,-0.4 4,-1.6 35,-0.3 5,-0.3 -0.736 32.6-118.0 -96.9 142.4 43.1 24.7 -2.4 52 54 A V H > S+ 0 0 30 33,-1.4 4,-1.5 -2,-0.3 3,-0.2 0.859 122.2 40.6 -46.1 -38.4 46.1 22.5 -1.5 53 55 A G H 4 S+ 0 0 45 2,-0.2 4,-0.5 1,-0.2 5,-0.4 0.840 103.9 66.3 -79.8 -34.6 44.9 22.9 2.1 54 56 A Q H 4 S+ 0 0 90 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.761 111.8 36.9 -57.1 -25.1 41.3 22.6 1.2 55 57 A I H X>S+ 0 0 16 -4,-1.6 4,-1.5 -3,-0.2 5,-0.6 0.803 91.9 94.6 -98.7 -32.3 42.0 19.0 0.3 56 58 A T H >X5S+ 0 0 30 -4,-1.5 4,-1.4 -5,-0.3 3,-0.6 0.753 111.3 1.4 -22.7 -88.0 44.6 18.1 3.0 57 59 A E H 345S+ 0 0 45 -4,-0.5 -1,-0.3 84,-0.3 106,-0.2 0.646 125.7 73.8 -83.3 -15.2 42.6 16.4 5.8 58 60 A K H 345S+ 0 0 90 -5,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.595 108.8 33.0 -71.9 -11.0 39.5 17.0 3.6 59 61 A Q H <<5S- 0 0 38 -4,-1.5 2,-0.7 -3,-0.6 -2,-0.2 0.666 109.0-138.4-106.6 -36.7 41.0 14.1 1.6 60 62 A G S <> S+ 0 0 52 1,-0.2 3,-2.0 2,-0.2 4,-1.2 1.000 96.8 41.1 -63.5 -68.4 52.6 16.8 0.8 65 67 A A H 3>>S+ 0 0 9 1,-0.3 4,-3.6 2,-0.2 5,-0.6 0.734 94.2 85.0 -51.2 -29.2 51.5 14.9 -2.3 66 68 A V H 345S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.796 104.8 30.2 -46.1 -33.0 48.6 17.4 -2.8 67 69 A S H <>5S+ 0 0 49 -3,-2.0 4,-3.2 -4,-0.4 3,-0.4 0.859 115.0 60.4 -92.5 -46.9 51.1 19.6 -4.5 68 70 A R H X5S+ 0 0 136 -4,-1.2 4,-0.7 1,-0.3 -2,-0.2 0.841 117.7 31.4 -50.3 -41.0 53.3 16.8 -5.9 69 71 A R H X5S+ 0 0 63 -4,-3.6 4,-0.6 2,-0.2 -1,-0.3 0.578 114.3 61.8 -95.0 -10.4 50.4 15.4 -7.9 70 72 A V H >S+ 0 0 8 -4,-0.6 5,-2.3 2,-0.2 6,-0.3 0.925 116.0 42.5 -75.1 -47.5 48.3 18.0 -13.4 74 76 A L H ><5S+ 0 0 48 -4,-2.7 3,-1.1 3,-0.2 5,-0.3 0.987 122.5 40.4 -55.1 -63.3 49.4 21.5 -13.8 75 77 A N H 3<5S+ 0 0 115 -4,-4.4 -2,-0.2 1,-0.3 -3,-0.2 0.750 107.2 57.1 -60.4 -35.8 52.4 20.4 -15.8 76 78 A A T 3<5S- 0 0 61 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.354 114.2-129.5 -79.0 10.2 50.7 17.7 -17.9 77 79 A E T < 5S+ 0 0 158 -3,-1.1 -3,-0.2 2,-0.1 -2,-0.2 0.799 77.7 108.5 42.8 52.9 48.6 20.8 -18.6 78 80 A L S S+ 0 0 3 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.528 95.5 58.3-109.0 -22.6 40.2 17.8 -18.3 94 104 A K H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.846 96.3 64.1 -71.9 -34.9 36.4 18.0 -18.3 95 105 A K H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 106.0 43.6 -52.9 -46.7 36.7 16.0 -21.5 96 106 A Y H > S+ 0 0 2 -4,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.946 109.1 53.7 -64.7 -51.0 38.2 13.3 -19.4 97 107 A I H X S+ 0 0 22 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.757 108.1 53.9 -57.9 -24.5 35.7 13.5 -16.5 98 108 A K H X S+ 0 0 158 -4,-2.0 4,-3.5 2,-0.2 -1,-0.2 0.981 107.6 48.6 -69.4 -59.4 33.0 13.2 -19.2 99 109 A E H X S+ 0 0 89 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.815 116.3 45.7 -47.3 -36.2 34.8 10.0 -20.4 100 110 A R H X S+ 0 0 18 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.994 115.4 42.2 -69.6 -68.3 34.8 8.9 -16.7 101 111 A K H X S+ 0 0 49 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.804 112.6 59.1 -46.7 -37.2 31.2 9.8 -15.7 102 112 A A H >X S+ 0 0 57 -4,-3.5 4,-2.2 -5,-0.2 3,-2.1 0.994 109.1 37.1 -59.4 -67.4 30.0 8.3 -19.0 103 113 A I H 3X S+ 0 0 65 -4,-1.4 4,-0.5 1,-0.3 -1,-0.2 0.763 108.8 65.5 -60.8 -25.4 31.3 4.8 -18.7 104 114 A M H 3X S+ 0 0 16 -4,-2.0 4,-1.0 1,-0.2 -1,-0.3 0.647 111.0 36.7 -71.0 -14.1 30.5 4.7 -15.0 105 115 A S H S+ 0 0 28 -3,-2.1 4,-2.0 -4,-0.5 5,-0.8 0.789 99.3 71.3-101.9 -42.6 26.8 5.0 -15.9 106 116 A H H <5S+ 0 0 125 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.738 119.5 28.1 -42.9 -20.4 26.8 2.9 -19.0 107 117 A I H <5S+ 0 0 36 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.746 112.0 59.0-114.5 -41.0 27.3 0.3 -16.2 108 118 A A H <5S+ 0 0 29 -4,-1.0 4,-0.4 2,-0.2 3,-0.2 0.843 111.4 43.8 -64.7 -34.9 25.7 1.5 -12.9 109 119 A S T >X5S+ 0 0 59 -4,-2.0 4,-2.7 2,-0.2 3,-1.6 0.912 110.0 54.4 -76.4 -41.8 22.2 1.8 -14.4 110 120 A D T 34 S+ 0 0 47 3,-0.0 4,-2.4 4,-0.0 5,-0.5 -0.098 109.9 64.4-171.2 -86.8 12.0 4.0 -7.5 118 128 A K H > S+ 0 0 155 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.805 111.3 56.7 -33.7 -32.3 10.5 4.0 -4.0 119 129 A E H > S+ 0 0 61 2,-0.2 4,-0.9 1,-0.1 3,-0.4 0.994 115.9 28.3 -62.7 -67.7 13.1 1.3 -3.6 120 130 A I H >> S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.870 115.0 62.1 -64.8 -42.4 16.2 3.2 -4.5 121 131 A E H 3X S+ 0 0 88 -4,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.808 103.1 52.1 -55.5 -32.7 14.9 6.6 -3.4 122 132 A K H 3X S+ 0 0 65 -4,-1.0 4,-2.3 -5,-0.5 -1,-0.3 0.827 107.8 49.7 -76.7 -31.1 14.7 5.3 0.2 123 133 A V H + 0 0 93 2,-0.1 4,-0.9 3,-0.0 -36,-0.0 0.080 360.0 91.5-145.3 22.9 23.0 9.7 -11.9 145 7 B D H > S+ 0 0 106 2,-0.2 4,-3.2 1,-0.2 5,-0.1 0.569 85.3 66.9 -84.4 -15.3 23.0 12.4 -9.2 146 8 B H H > S+ 0 0 46 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.872 93.0 51.7 -69.0 -45.4 23.3 9.1 -7.4 147 9 B I H > S+ 0 0 37 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.878 115.0 43.2 -62.8 -38.8 26.7 8.4 -8.7 148 10 B S H X S+ 0 0 56 -4,-0.9 4,-3.1 2,-0.2 5,-0.3 0.984 112.8 51.0 -71.8 -57.7 27.8 11.8 -7.6 149 11 B F H X S+ 0 0 17 -4,-3.2 4,-3.8 1,-0.2 5,-0.2 0.891 112.5 49.1 -44.6 -44.2 26.0 11.5 -4.2 150 12 B L H X S+ 0 0 41 -4,-3.0 4,-3.5 2,-0.2 5,-0.3 0.959 108.9 49.6 -61.5 -50.5 27.8 8.2 -3.8 151 13 B E H X S+ 0 0 33 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.916 117.8 43.3 -56.0 -36.8 31.1 9.6 -4.7 152 14 B K H X S+ 0 0 104 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.873 111.0 52.9 -76.6 -37.9 30.4 12.3 -2.1 153 15 B F H X S+ 0 0 4 -4,-3.8 4,-1.4 -5,-0.3 -2,-0.2 0.949 114.1 44.1 -62.7 -42.2 28.9 10.0 0.5 154 16 B I H X S+ 0 0 9 -4,-3.5 4,-1.0 1,-0.2 -2,-0.2 0.887 109.1 54.4 -72.7 -34.7 32.1 7.9 0.2 155 17 B N H X S+ 0 0 39 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.861 109.8 50.7 -65.8 -29.5 34.5 10.8 0.3 156 18 B D H X S+ 0 0 23 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.802 106.5 50.9 -79.0 -27.1 32.8 11.9 3.5 157 19 B V H X S+ 0 0 20 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.664 114.2 47.5 -81.7 -14.1 33.0 8.6 5.3 158 20 B N H X S+ 0 0 49 -4,-1.0 4,-2.4 2,-0.2 5,-0.3 0.891 110.5 49.2 -87.9 -47.6 36.7 8.7 4.4 159 21 B T H X S+ 0 0 15 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.954 118.9 40.9 -53.1 -50.7 37.2 12.2 5.5 160 22 B L H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.903 112.0 53.7 -63.4 -47.6 35.5 11.4 8.9 161 23 B T H X S+ 0 0 19 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.918 107.3 52.4 -55.0 -47.0 37.0 8.0 9.4 162 24 B A H X S+ 0 0 24 -4,-2.4 4,-1.1 1,-0.2 3,-0.3 0.929 108.6 49.7 -54.7 -53.7 40.5 9.4 9.0 163 25 B K H >< S+ 0 0 39 -4,-1.6 3,-0.5 -5,-0.3 4,-0.5 0.898 112.4 45.9 -56.3 -45.9 39.9 12.1 11.7 164 26 B L H 3< S+ 0 0 38 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.758 117.2 46.6 -70.4 -22.9 38.5 9.6 14.3 165 27 B L H 3X S+ 0 0 2 -4,-1.6 4,-1.8 -3,-0.3 -1,-0.2 0.560 84.0 92.7 -97.1 -6.9 41.4 7.2 13.6 166 28 B K H S+ 0 0 121 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.962 112.6 47.2 -59.9 -49.3 45.0 9.2 17.3 168 30 B L H > S+ 0 0 18 -4,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.740 112.0 52.1 -63.4 -25.1 44.9 5.3 17.0 169 31 B Q H <>S+ 0 0 18 -4,-1.8 5,-0.8 -3,-0.3 4,-0.3 0.886 110.5 43.7 -79.9 -42.8 47.2 5.4 14.0 170 32 B T H ><5S+ 0 0 89 -4,-2.0 3,-1.4 2,-0.2 -2,-0.2 0.912 109.1 59.2 -66.8 -41.1 50.0 7.5 15.3 171 33 B E H 3<5S+ 0 0 157 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.826 115.6 36.2 -55.9 -31.2 49.8 5.5 18.6 172 34 B Y T 3<5S- 0 0 75 -4,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.372 104.7-129.6-103.2 -0.7 50.6 2.5 16.3 173 35 B G T < 5 + 0 0 65 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.2 0.359 68.0 130.2 68.8 -9.4 53.0 4.3 14.0 174 36 B I < - 0 0 7 -5,-0.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.524 53.4-135.3 -74.0 139.4 50.9 2.9 11.1 175 37 B S > - 0 0 35 -2,-0.2 4,-1.7 -3,-0.1 5,-0.2 -0.438 28.8 -92.7 -93.6 174.0 49.7 5.4 8.5 176 38 B A H > S+ 0 0 30 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.886 124.7 43.7 -52.2 -51.1 46.2 5.7 7.0 177 39 B E H > S+ 0 0 35 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.887 109.8 58.7 -66.5 -34.7 46.8 3.5 3.9 178 40 B Q H > S+ 0 0 9 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.877 113.5 37.7 -61.3 -36.0 48.6 1.0 6.1 179 41 B S H X S+ 0 0 8 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.860 109.7 61.3 -79.6 -38.5 45.4 0.7 8.3 180 42 B H H X S+ 0 0 62 -4,-3.0 4,-0.7 2,-0.3 -2,-0.2 0.648 110.0 42.7 -60.2 -15.9 43.2 1.0 5.2 181 43 B V H X S+ 0 0 2 -4,-0.9 4,-2.4 2,-0.2 -1,-0.3 0.693 109.2 54.8 -97.5 -30.7 45.1 -2.2 4.2 182 44 B L H < S+ 0 0 1 -4,-1.0 -2,-0.3 -5,-0.2 4,-0.2 0.749 108.5 54.3 -69.1 -20.4 44.6 -3.4 7.8 183 45 B N H X S+ 0 0 14 -4,-1.7 4,-0.7 -6,-0.2 -2,-0.2 0.859 108.6 43.0 -81.7 -38.1 41.1 -2.6 6.7 184 46 B M H >X S+ 0 0 10 -4,-0.7 3,-1.3 1,-0.2 4,-1.2 0.967 113.2 51.7 -70.8 -51.4 41.0 -4.8 3.6 185 47 B L H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.554 93.1 75.1 -60.9 -12.6 42.8 -7.8 5.3 186 48 B S H 34 S+ 0 0 54 -4,-0.2 -1,-0.3 -5,-0.2 -2,-0.2 0.964 104.4 38.4 -63.4 -47.4 40.3 -7.6 8.1 187 49 B I H << S- 0 0 91 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.943 131.0 -4.7 -67.1 -59.3 37.9 -9.2 5.6 188 50 B E S < S- 0 0 98 -4,-1.2 2,-1.3 40,-0.0 -1,-0.2 -0.994 71.2-101.4-145.2 155.1 40.1 -11.7 3.7 189 51 B A - 0 0 44 -2,-0.3 39,-0.2 -3,-0.1 -4,-0.1 -0.565 49.3-177.6 -76.7 88.6 43.7 -12.8 3.5 190 52 B L - 0 0 4 -2,-1.3 37,-2.4 37,-0.2 2,-0.3 -0.253 26.5-126.7 -85.3 168.1 45.2 -11.2 0.3 191 53 B T B >> -B 226 0B 38 35,-0.2 4,-1.3 1,-0.1 3,-0.5 -0.745 40.0-104.3-104.1 156.5 48.6 -11.3 -1.5 192 54 B V H 3> S+ 0 0 16 33,-0.5 4,-1.3 -2,-0.3 34,-0.1 0.814 122.8 57.0 -54.0 -31.3 50.2 -7.9 -2.2 193 55 B G H 3> S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.930 103.7 50.3 -66.0 -45.5 49.1 -8.3 -5.8 194 56 B Q H <> S+ 0 0 82 -3,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.779 107.0 57.8 -62.2 -28.0 45.4 -8.7 -4.9 195 57 B I H < S+ 0 0 0 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.830 105.1 48.3 -72.7 -35.9 45.7 -5.5 -2.7 196 58 B T H >X S+ 0 0 22 -4,-1.3 3,-2.3 -3,-0.4 4,-1.6 0.959 111.3 48.4 -68.0 -53.7 46.9 -3.3 -5.6 197 59 B E H 3< S+ 0 0 128 -4,-1.7 -174,-0.2 1,-0.3 -1,-0.2 0.811 110.4 52.5 -55.9 -36.4 44.2 -4.4 -8.1 198 60 B K T 3< S+ 0 0 47 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.152 119.2 38.5 -86.0 19.5 41.6 -3.8 -5.3 199 61 B Q T <4 S- 0 0 30 -3,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.502 87.2-136.3-144.2 -15.9 43.1 -0.3 -4.9 200 62 B G < + 0 0 15 -4,-1.6 -164,-0.4 1,-0.2 -3,-0.1 0.244 66.7 120.3 73.2 -17.2 44.1 1.3 -8.3 201 63 B V S S- 0 0 33 -5,-0.4 2,-0.5 1,-0.1 -1,-0.2 -0.129 75.2 -71.5 -77.7 173.7 47.4 2.5 -6.7 202 64 B N >> - 0 0 106 1,-0.1 3,-1.5 -3,-0.1 4,-1.1 -0.536 34.3-138.5 -71.6 116.8 51.1 1.8 -7.5 203 65 B K H >> S+ 0 0 104 -2,-0.5 4,-1.4 1,-0.3 3,-0.6 0.793 101.3 63.1 -38.2 -45.8 52.2 -1.7 -6.6 204 66 B A H >> S+ 0 0 60 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.903 102.2 48.2 -51.0 -50.2 55.5 -0.3 -5.2 205 67 B A H <> S+ 0 0 24 -3,-1.5 4,-2.0 1,-0.3 -1,-0.3 0.761 105.2 59.0 -67.0 -23.8 53.6 1.6 -2.5 206 68 B V H <>S+ 0 0 2 -4,-1.7 3,-1.5 2,-0.2 5,-1.4 0.973 108.1 43.1 -75.0 -61.7 53.4 -3.8 8.4 214 76 B L H ><5S+ 0 0 34 -4,-2.1 3,-4.1 1,-0.3 -2,-0.2 0.962 113.3 56.6 -45.7 -52.7 54.8 -7.3 8.8 215 77 B N H 3<5S+ 0 0 141 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.768 105.6 50.2 -46.9 -33.7 57.8 -5.5 10.2 216 78 B A T <<5S- 0 0 47 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.390 114.0-121.7 -88.8 0.8 55.5 -4.0 12.7 217 79 B E T < 5S+ 0 0 146 -3,-4.1 15,-0.4 -4,-0.4 -3,-0.2 0.889 84.8 112.4 56.7 43.0 54.1 -7.4 13.6 218 80 B L S > - 0 0 9 -12,-0.9 3,-1.2 -2,-0.5 4,-0.8 -0.181 31.6-109.2 -53.2 150.8 49.0 -10.8 13.3 231 101 B N H 3> S+ 0 0 104 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.610 123.0 56.2 -62.5 -11.1 47.3 -11.1 16.6 232 102 B K H 34 S+ 0 0 143 -15,-0.4 4,-0.5 2,-0.2 -1,-0.3 0.728 102.2 56.0 -88.2 -26.3 48.6 -7.7 17.5 233 103 B G H <> S+ 0 0 0 -3,-1.2 4,-1.5 -15,-0.2 -2,-0.2 0.639 100.5 61.7 -77.8 -14.4 46.9 -6.4 14.4 234 104 B K H X S+ 0 0 103 -4,-0.8 4,-2.0 2,-0.2 5,-0.3 0.969 96.0 54.6 -74.6 -55.0 43.7 -7.9 15.8 235 105 B K H X S+ 0 0 140 -4,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.700 105.9 58.1 -53.1 -17.0 43.6 -5.7 18.9 236 106 B Y H >> S+ 0 0 2 -4,-0.5 4,-0.9 2,-0.2 3,-0.9 0.975 105.3 46.4 -73.9 -59.7 43.8 -2.8 16.4 237 107 B I H >X S+ 0 0 19 -4,-1.5 4,-2.2 1,-0.3 3,-0.5 0.797 108.5 56.5 -50.1 -37.2 40.6 -3.8 14.6 238 108 B K H 3X S+ 0 0 140 -4,-2.0 4,-1.2 1,-0.2 -1,-0.3 0.895 109.4 46.6 -61.6 -41.6 38.8 -4.3 17.9 239 109 B E H << S+ 0 0 89 -4,-1.0 4,-0.3 -3,-0.9 -1,-0.2 0.565 108.3 57.6 -78.4 -11.3 39.6 -0.7 18.7 240 110 B R H XX S+ 0 0 21 -4,-0.9 4,-2.4 -3,-0.5 3,-1.4 0.923 109.9 40.0 -84.9 -52.8 38.5 0.5 15.3 241 111 B K H 3X S+ 0 0 82 -4,-2.2 4,-2.5 1,-0.3 5,-0.3 0.813 106.0 69.4 -67.1 -20.8 35.0 -0.8 15.4 242 112 B A H 3X S+ 0 0 54 -4,-1.2 4,-0.8 -5,-0.3 -1,-0.3 0.791 109.6 33.9 -65.0 -24.7 34.9 0.3 19.0 243 113 B I H <> S+ 0 0 48 -3,-1.4 4,-0.7 -4,-0.3 5,-0.2 0.832 112.8 57.5 -98.5 -36.8 35.0 3.9 17.8 244 114 B M H >X S+ 0 0 13 -4,-2.4 4,-3.2 1,-0.2 3,-1.4 0.953 108.6 51.1 -55.6 -46.2 33.0 3.5 14.6 245 115 B S H 3X S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.3 5,-0.5 0.920 101.0 57.0 -60.0 -47.8 30.2 2.1 16.7 246 116 B H H 3< S+ 0 0 127 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.618 118.8 35.6 -65.3 -3.6 30.0 4.9 19.2 247 117 B I H << S+ 0 0 15 -3,-1.4 4,-0.4 -4,-0.7 -2,-0.2 0.709 111.6 56.9-112.3 -35.5 29.5 7.3 16.3 248 118 B A H >< S+ 0 0 12 -4,-3.2 3,-1.3 -5,-0.2 -3,-0.2 0.951 114.4 40.3 -60.1 -47.7 27.4 5.2 14.0 249 119 B S G >< S+ 0 0 44 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.899 106.7 64.4 -66.3 -37.6 24.8 4.6 16.7 250 120 B D G 3 S+ 0 0 87 -5,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.585 112.1 37.4 -61.3 -8.3 25.2 8.3 17.8 251 121 B M G < S+ 0 0 14 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.226 117.3 49.7-125.2 6.5 23.8 9.0 14.3 252 122 B T S < S+ 0 0 34 -3,-2.0 -2,-0.2 -5,-0.1 3,-0.1 -0.249 71.2 113.4-137.9 43.3 21.3 6.2 14.1 253 123 B S S S+ 0 0 103 1,-0.2 -3,-0.1 -3,-0.1 -2,-0.1 0.935 84.6 40.7 -74.2 -52.2 19.6 6.8 17.4 254 124 B D S S+ 0 0 102 2,-0.1 2,-0.2 0, 0.0 -1,-0.2 0.217 91.9 117.7 -81.4 7.4 16.4 7.8 15.8 255 125 B F - 0 0 40 -3,-0.1 2,-0.9 1,-0.1 3,-0.1 -0.482 63.7-126.4 -85.9 153.3 16.3 5.2 12.9 256 126 B D >> - 0 0 75 1,-0.2 3,-2.9 -2,-0.2 4,-1.9 -0.818 15.0-161.1 -93.5 103.0 13.7 2.5 12.2 257 127 B S H 3> S+ 0 0 81 -2,-0.9 4,-3.5 1,-0.3 5,-0.2 0.918 93.7 63.2 -51.3 -42.7 15.7 -0.7 12.0 258 128 B K H 3> S+ 0 0 162 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.752 110.3 42.2 -54.2 -18.5 12.7 -2.2 10.2 259 129 B E H <> S+ 0 0 58 -3,-2.9 4,-1.2 2,-0.2 -2,-0.2 0.788 110.8 51.7 -94.8 -37.9 13.6 0.6 7.6 260 130 B I H X S+ 0 0 28 -4,-1.9 4,-2.5 1,-0.2 3,-0.4 0.925 102.8 65.9 -64.4 -41.1 17.3 0.2 7.6 261 131 B E H X S+ 0 0 118 -4,-3.5 4,-1.4 1,-0.3 -1,-0.2 0.914 99.3 47.5 -41.8 -65.2 16.7 -3.5 7.0 262 132 B K H X S+ 0 0 83 -4,-0.7 4,-2.0 1,-0.2 -1,-0.3 0.833 111.2 50.4 -51.6 -39.6 15.2 -3.0 3.6 263 133 B V H X S+ 0 0 12 -4,-1.2 4,-2.7 -3,-0.4 -1,-0.2 0.917 107.3 53.8 -70.2 -38.2 18.0 -0.7 2.4 264 134 B R H X S+ 0 0 41 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.789 106.7 54.5 -64.7 -23.5 20.7 -3.2 3.5 265 135 B Q H X S+ 0 0 105 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.945 110.3 44.4 -72.5 -46.2 18.8 -5.7 1.4 266 136 B V H X S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.849 114.5 49.4 -63.2 -35.4 19.1 -3.4 -1.6 267 137 B L H X S+ 0 0 11 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.728 106.8 55.2 -78.2 -22.7 22.8 -2.7 -0.8 268 138 B E H X S+ 0 0 93 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.876 110.8 46.4 -74.8 -37.7 23.5 -6.4 -0.5 269 139 B I H X S+ 0 0 73 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.931 115.0 43.9 -70.4 -46.1 22.1 -7.0 -4.0 270 140 B I H X S+ 0 0 30 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.945 114.1 52.8 -62.5 -42.1 24.0 -4.1 -5.5 271 141 B D H X S+ 0 0 3 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.936 109.4 48.2 -55.0 -48.3 27.0 -5.2 -3.6 272 142 B Y H X S+ 0 0 160 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.913 111.9 49.7 -57.3 -46.6 26.6 -8.7 -5.0 273 143 B R H < S+ 0 0 61 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.857 111.2 48.9 -64.2 -33.6 26.2 -7.3 -8.5 274 144 B I H >< S+ 0 0 11 -4,-2.9 3,-1.4 -5,-0.2 4,-0.5 0.890 112.2 48.5 -73.6 -38.9 29.4 -5.2 -8.0 275 145 B Q H >X S+ 0 0 69 -4,-2.9 3,-2.8 1,-0.3 4,-1.1 0.943 100.2 65.0 -65.2 -42.5 31.3 -8.3 -6.7 276 146 B S T 3< S+ 0 0 47 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.489 103.6 50.1 -58.6 2.5 30.0 -10.2 -9.7 277 147 B Y T <4 S+ 0 0 86 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.485 85.4 79.6-114.4 -11.6 32.1 -7.7 -11.6 278 148 B T T <4 S+ 0 0 46 -3,-2.8 -2,-0.2 -4,-0.5 -3,-0.1 0.952 105.6 43.8 -54.6 -42.0 35.2 -8.2 -9.5 279 149 B S S < S+ 0 0 77 -4,-1.1 -2,-0.1 2,-0.1 -3,-0.1 0.638 72.2 94.7 -72.0-131.7 35.3 -11.2 -11.9 280 150 B K 0 0 147 1,-0.3 -1,-0.0 -4,-0.1 -4,-0.0 0.867 360.0 360.0 29.3 79.3 34.5 -10.9 -15.6 281 151 B L 0 0 232 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.672 360.0 360.0 91.1 360.0 38.2 -10.6 -16.8