==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE ANTIBIOTIC 25-NOV-02 1O83 . COMPND 2 MOLECULE: PEPTIDE ANTIBIOTIC AS-48; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR M.J.SANCHEZ-BARRENA,M.MARTINEZ-RIPOLL,A.GALVEZ,E.VALDIVIA, . 280 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 79.6 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 60.4 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 4 0 4 0 0 3 1 4 8 0 0 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 . 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 1 A M > 0 0 0 0, 0.0 6,-2.1 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 -36.0 44.2 9.4 14.0 2 2 A A H > + 0 0 45 66,-1.7 4,-1.5 4,-0.2 68,-0.2 0.953 360.0 39.0 -72.5 -50.1 44.1 7.4 10.8 3 3 A K H 4 S+ 0 0 168 66,-2.9 67,-0.2 1,-0.2 -1,-0.1 0.908 125.9 32.1 -73.4 -38.2 47.2 5.4 11.2 4 4 A E H 4 S+ 0 0 121 66,-2.6 -1,-0.2 65,-0.2 -2,-0.2 0.717 135.4 22.3 -95.2 -18.3 47.1 4.6 14.9 5 5 A F H < S- 0 0 38 -4,-1.0 -3,-0.2 65,-0.5 -2,-0.2 0.402 93.0-123.5-127.6 -2.1 43.3 4.4 15.4 6 6 A G < + 0 0 61 -4,-1.5 -4,-0.2 1,-0.2 32,-0.2 0.757 55.3 154.5 65.4 21.8 41.9 3.6 12.0 7 7 A I - 0 0 1 -6,-2.1 -1,-0.2 31,-0.2 -2,-0.1 -0.765 45.8-117.2 -87.3 122.4 39.7 6.7 12.2 8 8 A P > - 0 0 69 0, 0.0 4,-3.0 0, 0.0 3,-0.4 -0.098 19.6-114.5 -60.3 151.5 38.8 7.9 8.7 9 9 A A H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.831 112.9 54.7 -55.9 -39.0 39.9 11.4 7.6 10 10 A A H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.909 114.4 40.0 -66.3 -40.6 36.4 12.8 7.3 11 11 A V H > S+ 0 0 3 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.942 116.1 50.9 -71.0 -45.8 35.5 11.8 10.8 12 12 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.921 110.3 48.8 -58.8 -45.7 38.9 12.8 12.2 13 13 A G H X S+ 0 0 14 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.873 110.0 52.0 -61.8 -37.7 38.8 16.3 10.6 14 14 A T H X S+ 0 0 1 -4,-1.4 4,-2.5 -5,-0.2 5,-0.2 0.963 110.2 49.0 -62.5 -48.1 35.3 16.9 11.9 15 15 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.929 112.6 45.9 -58.2 -46.8 36.4 16.0 15.4 16 16 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.846 110.0 54.2 -69.7 -29.9 39.4 18.3 15.3 17 17 A N H X S+ 0 0 51 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.920 108.4 49.9 -66.8 -38.8 37.4 21.2 13.8 18 18 A V H <>S+ 0 0 6 -4,-2.5 5,-3.0 2,-0.2 4,-0.4 0.930 111.2 49.8 -63.4 -44.9 35.0 20.8 16.7 19 19 A V H ><5S+ 0 0 1 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.953 112.8 45.9 -55.8 -50.5 37.9 20.9 19.1 20 20 A E H 3<5S+ 0 0 105 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.795 109.9 54.5 -65.2 -30.6 39.4 24.0 17.4 21 21 A A T 3<5S- 0 0 85 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.426 117.9-111.5 -82.6 -1.4 36.0 25.8 17.4 22 22 A G T < 5 + 0 0 41 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.818 58.8 168.1 75.5 29.7 35.6 25.2 21.1 23 23 A G < - 0 0 17 -5,-3.0 2,-0.2 -6,-0.2 -1,-0.1 -0.048 38.6 -75.3 -68.3 177.2 32.8 22.7 20.7 24 24 A W >> - 0 0 125 1,-0.1 4,-1.8 28,-0.0 3,-0.5 -0.460 23.1-130.7 -82.5 142.2 31.5 20.5 23.5 25 25 A V H 3> S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.886 110.4 60.9 -51.7 -38.8 33.2 17.4 25.0 26 26 A T H 3> S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 102.4 50.1 -59.1 -39.7 29.8 15.7 24.5 27 27 A T H <> S+ 0 0 10 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.934 112.2 46.6 -63.4 -45.2 29.9 16.3 20.8 28 28 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.919 113.0 49.4 -63.9 -45.7 33.4 14.8 20.5 29 29 A V H X S+ 0 0 51 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.898 109.7 51.8 -60.5 -40.9 32.6 11.8 22.6 30 30 A S H X S+ 0 0 48 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.936 111.7 46.0 -63.9 -46.0 29.4 11.1 20.6 31 31 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.944 114.8 46.6 -62.4 -46.0 31.3 11.2 17.3 32 32 A L H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 7,-0.4 0.908 113.7 47.0 -65.7 -42.9 34.2 9.0 18.6 33 33 A T H >< S+ 0 0 64 -4,-2.6 3,-0.9 -5,-0.2 -1,-0.2 0.905 110.9 53.9 -64.1 -36.1 31.9 6.4 20.2 34 34 A A H 3< S+ 0 0 57 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.826 100.7 58.6 -70.2 -28.5 29.8 6.3 17.1 35 35 A V H 3< S- 0 0 43 -4,-1.7 3,-0.4 1,-0.2 2,-0.3 0.693 104.7-145.7 -75.2 -14.9 32.8 5.6 14.8 36 36 A G XX + 0 0 24 -3,-0.9 4,-2.6 -4,-0.7 3,-0.9 -0.645 54.7 7.3 96.5-144.6 33.4 2.5 16.9 37 37 A S H 3> S+ 0 0 98 -2,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.807 127.4 51.6 -52.9 -39.6 36.6 0.6 18.0 38 38 A G H 3> S+ 0 0 10 -3,-0.4 4,-1.8 2,-0.2 -1,-0.3 0.894 113.1 44.6 -65.2 -40.7 38.9 3.3 16.6 39 39 A G H <> S+ 0 0 0 -3,-0.9 4,-2.5 -7,-0.4 -2,-0.2 0.884 112.4 52.1 -69.9 -37.9 37.1 6.1 18.5 40 40 A L H X S+ 0 0 97 -4,-2.6 4,-2.0 -8,-0.3 -2,-0.2 0.905 108.8 51.4 -63.7 -40.4 36.9 4.0 21.6 41 41 A S H X S+ 0 0 62 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.874 109.7 48.9 -64.3 -38.3 40.6 3.4 21.4 42 42 A L H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.915 110.3 50.7 -67.4 -43.2 41.3 7.1 21.1 43 43 A L H < S+ 0 0 39 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.880 111.3 50.0 -58.7 -35.4 39.0 7.9 24.0 44 44 A A H >< S+ 0 0 75 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.905 104.4 58.3 -69.2 -39.3 41.0 5.2 26.0 45 45 A A H 3< S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.808 95.2 64.4 -62.1 -30.6 44.3 6.7 25.0 46 46 A A T >< S- 0 0 10 -4,-1.4 3,-1.8 1,-0.2 -1,-0.3 0.670 86.6-167.1 -67.3 -15.8 43.3 10.0 26.6 47 47 A G T < - 0 0 59 -3,-1.8 -1,-0.2 -4,-0.3 4,-0.1 -0.456 64.1 -24.2 65.9-132.4 43.2 8.3 30.0 48 48 A R T 3 S+ 0 0 265 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.434 112.4 108.3 -92.0 -2.1 41.5 10.5 32.6 49 49 A E S < S- 0 0 86 -3,-1.8 5,-0.0 1,-0.1 -3,-0.0 -0.547 86.4 -94.6 -77.8 141.8 42.2 13.7 30.6 50 50 A S > - 0 0 54 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.254 30.3-131.2 -49.0 137.3 39.3 15.4 28.9 51 51 A I H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.835 108.6 55.6 -66.3 -25.1 39.3 14.2 25.3 52 52 A K H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 109.9 43.2 -69.5 -45.5 39.0 17.9 24.3 53 53 A A H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.877 112.6 53.9 -67.7 -37.2 42.1 18.8 26.2 54 54 A Y H X S+ 0 0 32 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.935 112.4 42.4 -63.9 -48.3 44.0 15.8 25.0 55 55 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.870 110.8 56.6 -68.6 -36.9 43.3 16.5 21.3 56 56 A K H X S+ 0 0 105 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.920 109.6 46.2 -56.9 -43.0 44.0 20.2 21.8 57 57 A K H X S+ 0 0 112 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.885 109.1 54.7 -70.5 -35.1 47.5 19.3 23.2 58 58 A E H X S+ 0 0 12 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.905 108.8 49.1 -64.0 -38.4 48.0 16.8 20.3 59 59 A I H X S+ 0 0 26 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.885 110.6 49.6 -66.6 -40.1 47.3 19.7 17.8 60 60 A K H < S+ 0 0 169 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.927 117.0 42.7 -63.4 -41.7 49.7 22.0 19.7 61 61 A K H < S+ 0 0 130 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.880 133.2 13.9 -71.6 -40.2 52.4 19.2 19.6 62 62 A K H < S- 0 0 88 -4,-2.7 4,-0.4 -5,-0.2 -3,-0.2 0.599 103.2-108.6-116.8 -18.4 52.0 17.9 16.0 63 63 A G X - 0 0 32 -4,-1.9 4,-1.8 -5,-0.4 3,-0.3 0.164 37.4 -87.7 92.1 145.2 49.9 20.4 14.1 64 64 A K H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 124.8 55.0 -55.6 -45.2 46.3 19.7 13.0 65 65 A R H > S+ 0 0 223 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 109.8 46.2 -56.5 -43.6 47.2 18.0 9.7 66 66 A A H > S+ 0 0 43 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.808 108.1 57.0 -71.9 -28.6 49.5 15.5 11.5 67 67 A V H < S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.908 105.8 50.7 -67.9 -40.2 46.9 14.8 14.1 68 68 A I H < S+ 0 0 42 -4,-2.3 -66,-1.7 2,-0.2 -2,-0.2 0.938 111.9 47.4 -58.4 -46.0 44.5 13.8 11.4 69 69 A A H < 0 0 60 -4,-1.8 -66,-2.9 1,-0.2 -2,-0.2 0.898 360.0 360.0 -61.0 -41.4 47.1 11.5 9.9 70 70 A W < 0 0 44 -4,-2.3 -66,-2.6 -68,-0.2 -65,-0.5 0.878 360.0 360.0 -65.9 360.0 47.9 10.0 13.4 71 !* 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 72 1 B M > 0 0 0 0, 0.0 6,-2.3 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 -32.2 23.3 12.1 4.6 73 2 B A H > + 0 0 37 66,-1.4 4,-1.1 4,-0.3 68,-0.2 0.923 360.0 42.3 -72.9 -47.5 26.3 10.0 3.4 74 3 B K H 4 S+ 0 0 146 66,-2.2 67,-0.2 1,-0.2 -1,-0.1 0.907 125.7 30.9 -70.4 -45.0 25.0 9.5 -0.2 75 4 B E H 4 S+ 0 0 11 66,-2.7 186,-2.9 65,-0.1 187,-0.4 0.779 139.2 16.6 -87.1 -28.7 23.8 13.0 -0.9 76 5 B F H < S- 0 0 11 -4,-0.8 -3,-0.2 65,-0.6 -2,-0.2 0.569 91.4-120.9-123.5 -11.3 26.2 15.0 1.3 77 6 B G < + 0 0 34 -4,-1.1 -4,-0.3 -5,-0.4 32,-0.1 0.785 54.4 155.3 74.0 24.9 29.1 12.8 2.2 78 7 B I - 0 0 0 -6,-2.3 -1,-0.3 31,-0.2 -2,-0.1 -0.787 45.3-121.2 -87.0 122.7 28.6 13.2 5.9 79 8 B P >> - 0 0 27 0, 0.0 4,-2.8 0, 0.0 3,-0.9 -0.269 19.2-115.1 -63.4 148.2 30.1 10.1 7.6 80 9 B A H 3> S+ 0 0 62 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.824 113.1 58.5 -52.6 -38.1 27.7 7.9 9.7 81 10 B A H 3> S+ 0 0 7 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.883 114.3 37.9 -63.9 -34.9 29.5 8.7 13.0 82 11 B V H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.904 116.2 51.5 -79.9 -44.3 28.8 12.4 12.4 83 12 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.917 110.2 48.9 -60.3 -45.4 25.3 12.0 10.9 84 13 B G H X S+ 0 0 16 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.898 110.7 51.3 -61.5 -41.1 24.1 9.8 13.8 85 14 B T H X S+ 0 0 6 -4,-1.0 4,-1.6 -5,-0.3 -2,-0.2 0.930 110.8 48.6 -59.7 -46.1 25.4 12.3 16.3 86 15 B V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.2 0.936 109.8 51.2 -59.8 -46.8 23.6 15.1 14.5 87 16 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.814 106.4 54.4 -65.8 -30.1 20.3 13.2 14.4 88 17 B N H X S+ 0 0 83 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.873 107.5 50.7 -69.8 -33.2 20.5 12.4 18.1 89 18 B V H <>S+ 0 0 29 -4,-1.6 5,-2.6 -3,-0.2 4,-0.4 0.932 110.5 50.6 -66.8 -42.4 20.8 16.2 18.7 90 19 B V H ><5S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.948 111.7 45.9 -58.3 -50.3 17.8 16.7 16.5 91 20 B E H 3<5S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.781 109.7 55.3 -66.3 -26.8 15.7 14.1 18.4 92 21 B A T 3<5S- 0 0 83 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.463 114.1-116.9 -84.4 -1.1 16.8 15.5 21.8 93 22 B G T < 5 + 0 0 39 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.819 55.5 169.9 68.9 31.2 15.6 19.0 20.8 94 23 B G < - 0 0 21 -5,-2.6 -1,-0.1 -6,-0.2 2,-0.0 -0.065 41.0 -67.5 -67.4 174.2 19.1 20.3 21.0 95 24 B W >> - 0 0 157 1,-0.1 4,-1.7 2,-0.0 3,-0.5 -0.312 30.8-131.9 -66.9 144.7 20.1 23.8 19.8 96 25 B V H 3> S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 109.6 57.9 -58.9 -41.4 20.0 24.7 16.1 97 26 B T H 3> S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.807 101.4 55.2 -63.6 -27.2 23.5 26.2 16.6 98 27 B T H <> S+ 0 0 13 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.940 110.4 44.8 -68.0 -45.6 24.8 22.8 17.9 99 28 B I H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.932 114.3 50.1 -62.8 -43.6 23.6 21.1 14.7 100 29 B V H X S+ 0 0 51 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.921 109.8 50.0 -60.9 -42.9 25.1 24.0 12.6 101 30 B S H X S+ 0 0 60 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.908 111.2 48.9 -67.7 -35.8 28.4 23.8 14.3 102 31 B I H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.960 114.5 44.5 -66.4 -44.8 28.7 20.0 13.8 103 32 B L H >X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 3,-0.5 0.878 110.7 54.4 -67.7 -36.2 27.8 20.2 10.2 104 33 B T H >< S+ 0 0 68 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.880 103.3 57.2 -61.9 -37.8 30.1 23.2 9.6 105 34 B A H 3< S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.749 98.2 61.7 -67.4 -22.7 33.0 21.1 11.1 106 35 B V H << S- 0 0 32 -4,-0.9 3,-0.3 -3,-0.5 2,-0.3 0.780 102.5-142.9 -71.6 -27.8 32.4 18.4 8.4 107 36 B G XX - 0 0 26 -3,-0.8 4,-2.1 -4,-0.7 3,-0.8 -0.753 57.9 -0.1 104.3-149.1 33.1 20.9 5.7 108 37 B S H 3> S+ 0 0 94 -2,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.818 129.7 52.4 -45.4 -49.1 31.5 21.3 2.2 109 38 B G H 3> S+ 0 0 15 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.857 109.9 48.5 -61.3 -41.2 29.1 18.4 2.6 110 39 B G H <> S+ 0 0 0 -3,-0.8 4,-2.3 -7,-0.3 -1,-0.2 0.889 110.4 51.2 -65.8 -41.5 27.8 19.8 5.9 111 40 B L H X S+ 0 0 91 -4,-2.1 4,-2.0 -8,-0.3 -2,-0.2 0.857 107.8 54.7 -63.4 -34.0 27.4 23.2 4.4 112 41 B S H X S+ 0 0 14 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.894 107.8 47.4 -66.1 -40.7 25.4 21.6 1.6 113 42 B L H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.900 109.8 54.2 -65.8 -41.1 23.0 19.9 4.0 114 43 B L H < S+ 0 0 39 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.899 110.9 46.4 -58.5 -38.1 22.6 23.3 5.8 115 44 B A H >< S+ 0 0 20 -4,-2.0 3,-1.9 1,-0.2 143,-0.3 0.872 103.2 62.8 -73.8 -33.5 21.7 24.8 2.4 116 45 B A H 3< S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.739 89.5 69.2 -62.6 -22.8 19.3 22.0 1.6 117 46 B A T >< S- 0 0 4 -4,-1.1 3,-2.0 -3,-0.5 -1,-0.3 0.699 84.4-172.6 -68.0 -18.2 17.2 23.0 4.6 118 47 B G T < - 0 0 26 -3,-1.9 -1,-0.2 -4,-0.3 100,-0.1 -0.442 64.6 -16.6 65.5-124.9 16.3 26.1 2.6 119 48 B R T 3 S+ 0 0 168 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.360 119.1 92.6 -96.7 3.5 14.3 28.5 4.8 120 49 B E S < S- 0 0 67 -3,-2.0 2,-0.0 97,-0.1 -3,-0.0 -0.682 90.6-102.5 -88.1 148.0 13.4 25.9 7.4 121 50 B S > - 0 0 52 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.416 30.9-115.4 -65.1 153.9 15.8 25.6 10.3 122 51 B I H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.855 117.3 54.6 -60.2 -32.0 18.2 22.6 9.9 123 52 B K H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 110.1 44.5 -66.1 -47.2 16.5 21.1 13.1 124 53 B A H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.918 114.0 51.3 -62.3 -40.9 13.0 21.4 11.6 125 54 B Y H X S+ 0 0 30 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.936 112.7 43.7 -63.2 -48.8 14.2 20.0 8.2 126 55 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.866 108.9 57.7 -67.3 -35.6 15.9 17.0 9.7 127 56 B K H X S+ 0 0 109 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.919 108.9 47.5 -57.3 -43.4 13.0 16.3 12.0 128 57 B K H X S+ 0 0 113 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.928 109.4 51.9 -65.5 -46.1 10.8 16.1 8.9 129 58 B E H X>S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 5,-0.6 0.917 110.9 49.1 -56.5 -44.8 13.3 13.8 7.1 130 59 B I H X5S+ 0 0 25 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.920 108.3 52.6 -61.6 -46.3 13.3 11.4 10.1 131 60 B K H <5S+ 0 0 195 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.844 119.7 34.3 -60.8 -33.1 9.5 11.3 10.4 132 61 B K H <5S+ 0 0 90 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.710 134.9 21.6 -95.3 -21.9 9.1 10.3 6.7 133 62 B K H <5S- 0 0 82 -4,-2.3 4,-0.3 -5,-0.2 -3,-0.2 0.732 100.2-120.8-114.7 -35.3 12.3 8.2 6.2 134 63 B G X< - 0 0 30 -4,-1.8 4,-2.1 -5,-0.6 5,-0.2 0.005 32.5 -81.8 98.4 151.1 13.4 7.0 9.6 135 64 B K H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 125.5 49.2 -54.8 -52.9 16.7 7.5 11.4 136 65 B R H > S+ 0 0 228 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 113.4 47.1 -56.7 -43.7 18.7 4.8 9.6 137 66 B A H > S+ 0 0 44 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.862 110.6 51.5 -68.7 -34.6 17.6 5.9 6.2 138 67 B V H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.915 108.4 52.2 -69.6 -39.4 18.3 9.5 6.9 139 68 B I H < S+ 0 0 42 -4,-2.6 -66,-1.4 1,-0.2 -2,-0.2 0.935 110.6 48.2 -57.8 -45.0 21.8 8.6 8.1 140 69 B A H < 0 0 60 -4,-2.0 -66,-2.2 1,-0.2 -1,-0.2 0.893 360.0 360.0 -61.4 -41.4 22.3 6.7 4.8 141 70 B W < 0 0 29 -4,-2.1 -66,-2.7 -69,-0.2 -65,-0.6 0.832 360.0 360.0 -66.1 360.0 21.0 9.7 2.8 142 !* 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 0.0 143 1 C M > 0 0 0 0, 0.0 6,-2.2 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 -35.5 10.4 47.2 -15.2 144 2 C A H > + 0 0 44 66,-1.6 4,-1.5 4,-0.3 68,-0.2 0.938 360.0 44.1 -74.7 -48.8 8.4 47.2 -12.0 145 3 C K H 4 S+ 0 0 170 66,-2.9 67,-0.2 1,-0.2 -1,-0.1 0.920 125.7 29.2 -65.5 -44.0 6.7 50.6 -12.6 146 4 C E H 4 S+ 0 0 105 66,-2.9 -1,-0.2 65,-0.2 -2,-0.1 0.843 136.5 20.7 -89.6 -31.9 5.8 50.2 -16.2 147 5 C F H < S- 0 0 40 -4,-1.0 -3,-0.2 65,-0.6 -2,-0.2 0.458 92.5-121.3-119.5 -1.5 5.4 46.4 -16.6 148 6 C G < + 0 0 61 -4,-1.5 -4,-0.3 1,-0.2 32,-0.1 0.763 55.0 155.9 65.0 24.1 4.7 45.1 -13.1 149 7 C I - 0 0 0 -6,-2.2 -1,-0.2 31,-0.2 -2,-0.1 -0.767 45.1-120.8 -84.1 119.0 7.8 42.8 -13.3 150 8 C P >> - 0 0 70 0, 0.0 4,-2.7 0, 0.0 3,-0.6 -0.216 19.9-112.7 -61.4 152.0 8.9 42.1 -9.7 151 9 C A H 3> S+ 0 0 63 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.814 113.8 55.4 -54.6 -40.1 12.4 43.1 -8.7 152 10 C A H 3> S+ 0 0 55 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.901 113.5 41.7 -62.2 -39.8 13.7 39.5 -8.2 153 11 C V H <> S+ 0 0 4 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.947 116.1 48.3 -70.6 -49.2 12.6 38.6 -11.7 154 12 C A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.909 111.7 50.6 -58.0 -43.1 13.9 41.9 -13.3 155 13 C G H X S+ 0 0 13 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.889 109.3 50.8 -64.0 -40.4 17.2 41.6 -11.5 156 14 C T H X S+ 0 0 2 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.957 110.8 49.1 -60.2 -49.9 17.7 38.0 -12.7 157 15 C V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.916 111.4 48.0 -57.1 -45.7 17.0 39.1 -16.3 158 16 C L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.865 108.8 54.2 -68.1 -32.5 19.4 42.0 -16.1 159 17 C N H X S+ 0 0 55 -4,-2.1 4,-2.1 88,-0.2 -1,-0.2 0.906 107.6 50.9 -64.5 -40.7 22.1 39.8 -14.6 160 18 C V H <>S+ 0 0 10 -4,-2.3 5,-3.1 2,-0.2 4,-0.4 0.938 110.6 50.0 -59.7 -43.3 21.7 37.4 -17.6 161 19 C V H ><5S+ 0 0 3 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.954 112.6 45.1 -58.3 -51.5 22.0 40.3 -19.9 162 20 C E H 3<5S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.794 110.8 54.2 -67.2 -26.4 25.2 41.6 -18.3 163 21 C A T 3<5S- 0 0 87 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.454 116.5-114.3 -84.8 -2.7 26.7 38.1 -18.1 164 22 C G T < 5 + 0 0 41 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.794 57.8 167.0 74.8 31.9 26.1 37.7 -21.9 165 23 C G < - 0 0 19 -5,-3.1 2,-0.2 -6,-0.2 -1,-0.1 0.012 39.5 -69.4 -71.2 179.8 23.6 35.0 -21.4 166 24 C W > - 0 0 131 1,-0.1 4,-1.8 28,-0.0 3,-0.2 -0.419 24.5-134.2 -77.1 144.9 21.2 33.6 -24.1 167 25 C V H > S+ 0 0 59 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.903 108.9 60.5 -56.7 -38.9 18.3 35.4 -25.6 168 26 C T H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 102.9 51.0 -59.6 -38.6 16.3 32.3 -25.1 169 27 C T H > S+ 0 0 12 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 112.3 45.0 -63.7 -44.2 16.9 32.5 -21.4 170 28 C I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.936 114.7 48.7 -67.7 -44.5 15.7 36.1 -21.2 171 29 C V H X S+ 0 0 51 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.918 109.5 52.6 -61.2 -42.1 12.7 35.4 -23.4 172 30 C S H X S+ 0 0 52 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.920 111.3 46.3 -61.1 -44.5 11.7 32.3 -21.3 173 31 C I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.940 114.0 47.3 -65.2 -43.2 11.8 34.3 -18.1 174 32 C L H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 7,-0.3 0.894 113.2 47.6 -68.0 -40.0 9.8 37.2 -19.5 175 33 C T H >< S+ 0 0 65 -4,-2.8 3,-0.9 -5,-0.2 -1,-0.2 0.915 111.4 51.9 -65.4 -37.7 7.2 35.0 -21.1 176 34 C A H 3< S+ 0 0 57 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.804 99.8 62.6 -70.3 -27.3 6.8 33.0 -17.9 177 35 C V H 3< S- 0 0 43 -4,-1.7 3,-0.3 1,-0.2 2,-0.3 0.728 108.0-131.1 -73.2 -17.7 6.3 36.1 -15.7 178 36 C G XX - 0 0 27 -3,-0.9 4,-2.1 -4,-0.7 3,-0.8 -0.709 52.7 -11.1 113.8-156.5 3.2 36.8 -17.7 179 37 C S H 3> S+ 0 0 96 -2,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.747 127.3 57.9 -61.6 -25.7 1.5 39.7 -19.5 180 38 C G H 3> S+ 0 0 13 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.876 107.5 47.1 -70.4 -38.0 4.0 42.2 -18.1 181 39 C G H <> S+ 0 0 0 -3,-0.8 4,-2.2 -7,-0.3 -2,-0.2 0.883 110.4 52.7 -69.3 -37.1 6.9 40.3 -19.6 182 40 C L H X S+ 0 0 92 -4,-2.1 4,-1.7 -8,-0.3 -2,-0.2 0.877 106.5 53.9 -64.9 -34.3 5.1 40.1 -22.8 183 41 C S H X S+ 0 0 58 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.883 107.2 50.2 -66.5 -39.4 4.6 43.9 -22.8 184 42 C L H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.935 109.5 50.9 -63.3 -44.0 8.3 44.5 -22.3 185 43 C L H X S+ 0 0 40 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.844 108.7 53.2 -59.6 -34.7 9.0 42.1 -25.3 186 44 C A H < S+ 0 0 76 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.884 105.7 52.8 -70.3 -35.6 6.5 44.2 -27.3 187 45 C A H < S+ 0 0 48 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.809 103.7 58.0 -68.8 -30.3 8.3 47.4 -26.4 188 46 C A H >< S- 0 0 8 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.770 90.0-166.5 -71.2 -27.2 11.6 45.8 -27.7 189 47 C G T 3< - 0 0 54 -4,-0.9 -1,-0.2 -3,-0.5 4,-0.1 -0.465 61.1 -30.6 74.0-141.9 10.1 45.3 -31.1 190 48 C R T 3 S+ 0 0 258 -2,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.409 111.6 112.8 -94.6 9.3 12.0 43.0 -33.4 191 49 C E S < S- 0 0 72 -3,-1.3 -3,-0.0 1,-0.1 5,-0.0 -0.599 86.9 -95.8 -76.0 137.5 15.1 44.2 -31.7 192 50 C S > - 0 0 53 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.295 27.8-130.4 -52.1 133.3 16.7 41.4 -29.7 193 51 C I H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.828 107.7 57.0 -60.0 -29.6 15.5 41.7 -26.1 194 52 C K H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.958 109.3 42.1 -63.5 -52.3 19.2 41.4 -25.1 195 53 C A H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.870 113.5 54.7 -64.1 -37.1 20.3 44.4 -27.1 196 54 C Y H X S+ 0 0 26 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.924 110.6 43.3 -63.8 -47.1 17.3 46.3 -26.1 197 55 C L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.823 109.7 57.6 -69.7 -31.2 17.9 45.8 -22.4 198 56 C K H X S+ 0 0 102 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.911 108.7 47.4 -61.7 -42.5 21.6 46.6 -22.9 199 57 C K H X S+ 0 0 85 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.893 109.5 52.3 -67.0 -40.7 20.6 49.9 -24.4 200 58 C E H X>S+ 0 0 22 -4,-2.1 4,-2.8 2,-0.2 5,-0.5 0.900 111.1 47.5 -59.9 -42.1 18.2 50.5 -21.4 201 59 C I H X5S+ 0 0 26 -4,-2.3 4,-1.7 3,-0.2 -2,-0.2 0.907 108.4 55.8 -65.3 -41.0 21.1 49.9 -19.0 202 60 C K H <5S+ 0 0 184 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.897 119.1 31.5 -55.7 -43.2 23.3 52.2 -21.0 203 61 C K H <5S+ 0 0 161 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.823 134.6 23.3 -87.3 -34.2 20.8 55.1 -20.7 204 62 C K H <5S- 0 0 89 -4,-2.8 4,-0.4 -5,-0.2 -3,-0.2 0.745 98.0-122.5-107.2 -27.8 19.2 54.4 -17.3 205 63 C G X< - 0 0 30 -4,-1.7 4,-2.2 -5,-0.5 5,-0.2 0.102 35.1 -82.8 88.6 149.1 21.6 52.3 -15.2 206 64 C K H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.903 126.4 54.0 -55.0 -46.2 20.7 49.0 -13.8 207 65 C R H > S+ 0 0 229 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 113.1 42.7 -55.9 -47.1 19.0 50.3 -10.7 208 66 C A H > S+ 0 0 41 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.818 110.7 56.0 -71.7 -31.9 16.6 52.5 -12.7 209 67 C V H < S+ 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.927 108.3 48.3 -66.2 -42.2 16.0 49.8 -15.3 210 68 C I H < S+ 0 0 40 -4,-2.9 -66,-1.6 1,-0.2 -2,-0.2 0.949 112.6 48.0 -60.5 -43.9 14.8 47.5 -12.5 211 69 C A H < 0 0 60 -4,-2.1 -66,-2.9 -5,-0.2 -1,-0.2 0.901 360.0 360.0 -62.8 -40.0 12.6 50.2 -11.1 212 70 C W < 0 0 42 -4,-2.4 -66,-2.9 -69,-0.2 -65,-0.6 0.875 360.0 360.0 -66.9 360.0 11.2 50.9 -14.6 213 !* 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 0.0 214 1 D M > 0 0 0 0, 0.0 6,-2.2 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 -33.9 12.0 26.7 -5.2 215 2 D A H > + 0 0 36 66,-1.6 4,-1.5 4,-0.3 68,-0.2 0.939 360.0 43.2 -75.3 -48.2 10.2 29.9 -4.3 216 3 D K H 4 S+ 0 0 152 66,-3.0 67,-0.2 1,-0.2 -1,-0.1 0.898 127.1 27.8 -67.4 -41.4 9.2 29.1 -0.8 217 4 D E H 4 S+ 0 0 21 66,-2.7 -1,-0.2 65,-0.2 -2,-0.1 0.650 137.4 22.8 -98.7 -14.3 12.6 27.6 0.4 218 5 D F H < S- 0 0 4 -4,-0.8 -3,-0.2 65,-0.5 -2,-0.2 0.467 93.0-123.1-131.3 -2.7 15.0 29.4 -1.9 219 6 D G < + 0 0 26 -4,-1.5 -4,-0.3 1,-0.2 32,-0.2 0.755 55.7 152.2 65.3 24.5 13.3 32.6 -3.0 220 7 D I - 0 0 0 -6,-2.2 -1,-0.2 31,-0.2 -2,-0.1 -0.788 48.4-119.8 -85.0 121.5 13.6 31.8 -6.7 221 8 D P >> - 0 0 22 0, 0.0 4,-3.3 0, 0.0 3,-0.8 -0.287 18.2-115.6 -63.4 149.7 10.7 33.5 -8.5 222 9 D A H 3> S+ 0 0 61 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.843 113.8 56.4 -52.6 -41.1 8.3 31.2 -10.4 223 10 D A H 3> S+ 0 0 6 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.864 114.9 38.6 -64.6 -33.9 9.2 32.7 -13.8 224 11 D V H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.906 115.0 52.9 -80.0 -43.0 12.9 31.8 -13.2 225 12 D A H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.908 109.7 48.0 -59.3 -45.4 12.2 28.5 -11.5 226 13 D G H X S+ 0 0 13 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.867 110.3 52.6 -64.3 -36.3 10.0 27.3 -14.4 227 14 D T H X S+ 0 0 8 -4,-0.9 4,-1.7 -5,-0.3 -1,-0.2 0.924 110.4 48.2 -63.3 -44.2 12.6 28.3 -16.9 228 15 D V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.946 110.0 51.0 -62.1 -46.6 15.2 26.4 -15.0 229 16 D L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.881 106.7 54.5 -62.6 -35.6 13.1 23.2 -14.8 230 17 D N H X S+ 0 0 85 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.906 107.7 50.3 -64.7 -35.6 12.4 23.4 -18.5 231 18 D V H <>S+ 0 0 29 -4,-1.7 5,-2.9 2,-0.2 3,-0.4 0.942 111.2 50.1 -63.4 -45.2 16.2 23.4 -19.1 232 19 D V H ><5S+ 0 0 3 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.929 111.6 46.4 -56.0 -48.6 16.5 20.4 -16.8 233 20 D E H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.707 108.3 56.8 -71.4 -20.3 13.7 18.4 -18.6 234 21 D A T 3<5S- 0 0 86 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.311 118.1-108.7 -90.4 6.0 15.2 19.2 -22.0 235 22 D G T < 5 + 0 0 45 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.807 60.2 171.9 68.8 29.2 18.6 17.7 -21.1 236 23 D G < - 0 0 18 -5,-2.9 2,-0.1 -6,-0.2 -1,-0.1 -0.158 36.2 -83.1 -65.7 167.2 20.1 21.2 -20.9 237 24 D W > - 0 0 163 1,-0.1 4,-2.2 4,-0.0 3,-0.5 -0.385 20.4-129.9 -76.4 143.7 23.7 21.7 -19.6 238 25 D V H > S+ 0 0 60 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.897 111.3 61.0 -55.9 -36.5 24.6 22.1 -16.0 239 26 D T H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 105.4 47.6 -59.3 -35.9 26.5 25.3 -17.0 240 27 D T H > S+ 0 0 13 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.941 111.8 48.1 -69.2 -46.5 23.2 26.7 -18.2 241 28 D I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.926 112.5 50.3 -62.3 -42.8 21.4 25.8 -15.1 242 29 D V H X S+ 0 0 52 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.916 108.8 50.5 -61.7 -40.7 24.2 27.3 -13.0 243 30 D S H X S+ 0 0 65 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.899 112.2 47.7 -67.5 -36.0 24.3 30.6 -14.9 244 31 D I H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.951 114.6 44.0 -70.7 -46.7 20.6 31.1 -14.5 245 32 D L H >X S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.8 0.889 111.0 55.5 -65.7 -36.1 20.5 30.3 -10.8 246 33 D T H >< S+ 0 0 67 -4,-2.7 3,-1.0 -5,-0.2 -1,-0.2 0.900 101.8 58.1 -60.6 -38.1 23.6 32.5 -10.2 247 34 D A H 3< S+ 0 0 9 -4,-1.7 -1,-0.2 1,-0.3 -88,-0.2 0.716 96.8 62.4 -65.6 -21.4 21.8 35.4 -11.8 248 35 D V H << S- 0 0 29 -3,-0.9 2,-0.3 -4,-0.7 3,-0.3 0.789 101.9-144.4 -74.9 -29.0 19.0 35.1 -9.2 249 36 D G XX + 0 0 25 -3,-1.0 4,-2.3 -4,-0.8 3,-1.0 -0.741 58.1 2.8 104.0-146.8 21.5 35.9 -6.5 250 37 D S H 3> S+ 0 0 98 -2,-0.3 4,-2.1 1,-0.3 -1,-0.2 0.821 129.9 49.8 -49.3 -45.0 21.7 34.6 -3.0 251 38 D G H 3> S+ 0 0 9 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.837 110.8 49.9 -65.5 -35.3 18.8 32.2 -3.2 252 39 D G H <> S+ 0 0 0 -3,-1.0 4,-2.2 -7,-0.3 -6,-0.2 0.897 110.5 50.6 -68.5 -42.2 20.1 30.6 -6.5 253 40 D L H X S+ 0 0 95 -4,-2.3 4,-2.0 -8,-0.3 -2,-0.2 0.890 108.2 52.9 -62.1 -39.1 23.5 30.2 -4.9 254 41 D S H X S+ 0 0 51 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.902 108.6 49.7 -61.5 -41.7 21.9 28.4 -1.9 255 42 D L H X S+ 0 0 0 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.892 107.0 54.4 -66.8 -38.9 20.1 26.0 -4.2 256 43 D L H >< S+ 0 0 40 -4,-2.2 3,-0.6 1,-0.2 4,-0.4 0.910 110.7 47.7 -61.0 -37.6 23.3 25.3 -6.0 257 44 D A H >< S+ 0 0 38 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.877 100.8 65.0 -68.7 -36.2 24.8 24.4 -2.6 258 45 D A H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 -143,-0.3 -2,-0.2 0.732 87.2 73.5 -60.5 -22.3 21.8 22.2 -1.6 259 46 D A T X< S+ 0 0 5 -4,-0.8 3,-1.6 -3,-0.6 2,-0.3 0.837 70.5 170.4 -62.9 -37.5 22.7 19.8 -4.4 260 47 D G T < - 0 0 33 -3,-1.2 -184,-0.2 -4,-0.4 -1,-0.2 -0.422 68.0 -0.2 67.3-124.0 25.7 18.3 -2.6 261 48 D R T 3 S+ 0 0 175 -186,-2.9 2,-0.3 -2,-0.3 -1,-0.3 0.455 123.6 75.8 -81.4 -4.1 27.2 15.2 -4.3 262 49 D E S < S- 0 0 43 -3,-1.6 2,-0.1 -187,-0.4 -187,-0.0 -0.803 91.8-110.1-101.6 149.9 24.6 15.3 -7.1 263 50 D S > - 0 0 56 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.415 33.8-107.8 -69.9 160.4 24.8 17.9 -9.9 264 51 D I H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.853 122.2 53.5 -57.7 -33.9 22.2 20.6 -9.7 265 52 D K H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.943 109.4 46.1 -67.3 -45.5 20.6 18.9 -12.8 266 53 D A H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.882 112.5 51.8 -63.8 -38.2 20.4 15.5 -11.1 267 54 D Y H X S+ 0 0 10 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.927 112.4 43.6 -64.8 -46.2 19.0 17.0 -7.9 268 55 D L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.882 111.3 54.7 -70.7 -36.6 16.2 18.9 -9.7 269 56 D K H X S+ 0 0 117 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.934 110.2 47.5 -58.0 -44.5 15.4 15.9 -11.9 270 57 D K H X S+ 0 0 72 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.916 110.6 51.4 -63.7 -41.9 15.0 13.9 -8.7 271 58 D E H X>S+ 0 0 22 -4,-2.1 4,-3.1 1,-0.2 5,-0.6 0.914 109.8 49.4 -61.7 -44.2 12.9 16.6 -7.1 272 59 D I H X5S+ 0 0 25 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.905 109.8 52.3 -63.1 -39.3 10.6 16.7 -10.2 273 60 D K H <5S+ 0 0 196 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.883 116.5 38.7 -64.6 -37.3 10.3 12.9 -10.1 274 61 D K H <5S+ 0 0 131 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.919 135.1 15.2 -78.6 -43.7 9.3 13.0 -6.4 275 62 D K H <5S- 0 0 76 -4,-3.1 4,-0.4 -5,-0.2 -3,-0.2 0.715 100.5-112.7-107.3 -27.2 7.0 16.1 -6.4 276 63 D G X< - 0 0 30 -4,-1.6 4,-2.1 -5,-0.6 5,-0.2 0.036 36.8 -83.5 96.1 149.3 6.1 17.0 -9.9 277 64 D K H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 126.4 54.0 -55.3 -45.8 7.1 20.2 -11.8 278 65 D R H > S+ 0 0 226 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 110.9 44.6 -56.7 -48.7 4.4 22.4 -10.3 279 66 D A H > S+ 0 0 43 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.854 111.3 54.5 -64.3 -35.5 5.3 21.5 -6.6 280 67 D V H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.903 106.3 52.2 -67.0 -40.5 9.1 21.9 -7.4 281 68 D I H < S+ 0 0 38 -4,-2.5 -66,-1.6 -5,-0.2 -2,-0.2 0.954 111.6 45.5 -58.1 -48.2 8.4 25.4 -8.7 282 69 D A H < 0 0 59 -4,-2.0 -66,-3.0 1,-0.2 -2,-0.2 0.887 360.0 360.0 -61.9 -38.5 6.5 26.3 -5.5 283 70 D W < 0 0 36 -4,-2.4 -66,-2.7 -69,-0.2 -65,-0.5 0.883 360.0 360.0 -67.1 360.0 9.3 24.7 -3.4