==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BACTERIAL PROTEIN 02-MAR-05 2BL8 . COMPND 2 MOLECULE: ENTEROCINE A IMMUNITY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECIUM; . AUTHOR L.JOHNSEN,B.DALHUS,I.LEIROS,J.NISSEN-MEYER . 264 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 71.6 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 . 6 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 0 0 0 0 1 0 1 3 3 1 0 3 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 4 A N > 0 0 115 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 120.6 36.5 10.4 1.7 2 5 A A H > + 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.910 360.0 51.5 -55.7 -50.5 37.1 10.3 5.5 3 6 A K H > S+ 0 0 77 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.899 110.3 51.6 -55.2 -41.7 40.2 8.2 5.4 4 7 A Q H > S+ 0 0 109 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.924 110.8 45.7 -62.5 -46.8 41.7 10.5 2.8 5 8 A I H X S+ 0 0 16 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.921 114.8 47.3 -64.6 -43.4 41.1 13.7 4.8 6 9 A V H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.927 113.5 48.8 -62.8 -45.0 42.4 12.1 8.0 7 10 A H H X S+ 0 0 86 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.920 113.7 47.0 -60.8 -44.5 45.5 10.8 6.1 8 11 A E H X S+ 0 0 66 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.888 112.8 48.1 -66.1 -39.6 46.0 14.3 4.6 9 12 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.919 112.6 49.9 -67.3 -41.7 45.6 16.1 7.9 10 13 A Y H X S+ 0 0 66 -4,-2.7 4,-3.0 -5,-0.2 -2,-0.2 0.951 113.1 45.3 -60.3 -52.1 48.0 13.7 9.6 11 14 A N H X S+ 0 0 72 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.876 111.4 52.1 -61.4 -40.2 50.7 14.1 6.9 12 15 A D H < S+ 0 0 50 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.910 116.5 39.5 -64.5 -41.7 50.4 17.8 6.7 13 16 A I H >< S+ 0 0 2 -4,-2.1 3,-1.1 1,-0.2 5,-0.3 0.899 111.2 58.1 -73.3 -41.9 50.9 18.2 10.5 14 17 A S H 3< S+ 0 0 33 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.817 94.9 64.4 -59.0 -35.0 53.5 15.4 10.7 15 18 A I T 3< S+ 0 0 130 -4,-1.6 2,-1.5 1,-0.3 -1,-0.3 0.819 92.6 65.9 -59.6 -31.3 55.8 17.2 8.3 16 19 A S S < S- 0 0 75 -3,-1.1 2,-0.8 -4,-0.5 -1,-0.3 -0.527 90.4-149.8 -91.2 66.4 56.1 20.0 10.8 17 20 A K + 0 0 200 -2,-1.5 -3,-0.1 -3,-0.2 -2,-0.1 -0.109 38.5 150.5 -41.4 85.0 57.9 17.8 13.4 18 21 A D > - 0 0 59 -2,-0.8 3,-2.1 -5,-0.3 4,-0.2 -0.988 45.5-146.1-128.8 121.9 56.6 19.6 16.5 19 22 A P G > S+ 0 0 106 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.746 95.4 71.3 -57.1 -26.2 56.1 17.7 19.8 20 23 A K G 3 S+ 0 0 98 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.611 99.8 48.6 -67.9 -10.0 53.1 19.8 20.7 21 24 A Y G <> S+ 0 0 23 -3,-2.1 4,-2.5 -5,-0.1 -1,-0.3 0.333 81.6 100.7-107.9 2.4 51.2 18.0 17.9 22 25 A S H <> S+ 0 0 60 -3,-1.7 4,-1.9 1,-0.2 -2,-0.1 0.900 83.4 46.1 -55.1 -47.0 52.3 14.5 19.1 23 26 A D H > S+ 0 0 86 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.915 112.0 51.5 -63.9 -44.0 49.0 13.8 20.8 24 27 A I H > S+ 0 0 1 1,-0.2 4,-2.5 -4,-0.2 -2,-0.2 0.896 109.9 49.3 -60.2 -42.5 47.0 15.0 17.9 25 28 A L H X S+ 0 0 27 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.893 108.9 53.1 -65.4 -38.7 48.9 12.8 15.5 26 29 A E H X S+ 0 0 143 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.912 111.2 46.0 -62.4 -42.9 48.4 9.8 17.7 27 30 A V H X S+ 0 0 39 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 111.4 51.0 -66.8 -44.1 44.7 10.3 17.8 28 31 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.913 109.9 51.6 -59.2 -41.3 44.5 10.8 14.0 29 32 A Q H X S+ 0 0 80 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.945 110.0 48.2 -58.9 -50.3 46.5 7.6 13.6 30 33 A K H X S+ 0 0 137 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.882 112.3 48.8 -57.8 -43.6 44.0 5.7 15.8 31 34 A V H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.909 107.7 55.0 -64.9 -42.8 41.0 7.1 13.9 32 35 A Y H X S+ 0 0 55 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.926 107.3 49.5 -56.2 -49.7 42.5 6.2 10.5 33 36 A L H >< S+ 0 0 99 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.897 110.8 50.4 -58.3 -41.9 42.9 2.6 11.5 34 37 A K H 3< S+ 0 0 135 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 103.7 58.9 -64.3 -38.4 39.3 2.5 12.7 35 38 A L H 3< 0 0 30 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.625 360.0 360.0 -66.9 -13.1 38.0 4.0 9.5 36 39 A E << 0 0 125 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.439 360.0 360.0 -91.0 360.0 39.6 1.0 7.6 37 ! 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 38 47 A P > 0 0 102 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -25.1 31.9 6.7 11.0 39 48 A S H > + 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 360.0 49.1 -58.7 -44.8 30.0 9.9 11.6 40 49 A P H > S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.915 113.3 47.1 -61.5 -41.8 30.1 9.4 15.4 41 50 A L H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.922 111.3 51.6 -65.2 -44.7 33.9 8.8 15.3 42 51 A I H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.920 110.3 48.4 -59.0 -45.9 34.5 11.7 13.1 43 52 A N H X S+ 0 0 44 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.893 109.2 52.2 -64.8 -38.9 32.6 14.1 15.4 44 53 A R H X S+ 0 0 160 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.893 110.3 50.9 -62.0 -37.9 34.4 12.9 18.4 45 54 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.926 110.2 47.1 -65.5 -45.8 37.6 13.6 16.5 46 55 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.915 109.7 53.7 -64.2 -42.1 36.6 17.1 15.6 47 56 A N H X S+ 0 0 27 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.937 111.5 47.4 -54.4 -48.6 35.5 17.8 19.2 48 57 A Y H X S+ 0 0 61 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.908 107.7 54.9 -60.5 -45.2 39.0 16.7 20.3 49 58 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.927 113.8 39.4 -58.4 -47.3 40.9 18.8 17.7 50 59 A Y H X S+ 0 0 13 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.869 116.9 50.0 -72.7 -35.4 39.3 22.1 18.7 51 60 A F H X S+ 0 0 84 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.944 114.2 45.0 -65.6 -47.2 39.4 21.3 22.4 52 61 A T H X S+ 0 0 9 -4,-3.2 4,-2.8 1,-0.2 6,-0.2 0.896 110.8 54.2 -62.6 -41.9 43.0 20.3 22.2 53 62 A A H <>S+ 0 0 1 -4,-2.2 5,-2.8 -5,-0.3 4,-0.3 0.909 113.2 42.5 -59.7 -44.2 43.8 23.4 20.1 54 63 A Y H ><5S+ 0 0 24 -4,-2.0 3,-1.0 3,-0.2 -2,-0.2 0.963 117.1 45.0 -67.8 -52.6 42.3 25.7 22.7 55 64 A T H 3<5S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.859 121.7 38.2 -60.3 -39.0 43.7 24.0 25.8 56 65 A N T 3<5S- 0 0 76 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.358 108.9-122.9 -94.4 4.4 47.2 23.7 24.3 57 66 A K T < 5 + 0 0 157 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.912 54.8 160.6 53.1 49.1 47.0 27.1 22.6 58 67 A I < - 0 0 1 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.2 -0.777 30.6-151.9-101.7 144.3 47.6 25.6 19.1 59 68 A R - 0 0 93 -2,-0.3 2,-0.1 -5,-0.0 -5,-0.0 -0.952 8.5-148.4-121.6 113.5 46.7 27.3 15.8 60 69 A F - 0 0 7 -2,-0.5 2,-0.0 1,-0.1 -47,-0.0 -0.420 29.3-105.9 -72.7 153.0 46.0 25.1 12.8 61 70 A T > - 0 0 70 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.347 32.8-104.2 -74.4 163.7 46.9 26.6 9.4 62 71 A E H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.899 124.5 49.1 -54.6 -41.9 44.2 27.9 7.2 63 72 A Y H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 109.6 49.9 -65.7 -43.3 44.5 24.7 5.0 64 73 A Q H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.891 109.3 52.8 -62.8 -38.5 44.4 22.4 8.1 65 74 A E H X S+ 0 0 49 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.873 108.1 51.7 -63.0 -38.1 41.3 24.2 9.3 66 75 A E H X S+ 0 0 67 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.878 108.1 50.6 -66.9 -39.1 39.7 23.6 5.8 67 76 A L H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.921 109.8 50.2 -65.5 -42.1 40.5 19.9 6.0 68 77 A I H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.907 110.1 51.4 -62.8 -38.7 38.9 19.7 9.5 69 78 A R H X S+ 0 0 141 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.924 110.1 48.4 -62.0 -45.5 35.8 21.5 8.0 70 79 A N H X S+ 0 0 55 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.872 107.4 56.2 -64.4 -36.8 35.6 19.0 5.2 71 80 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.935 108.4 46.6 -61.9 -45.8 36.0 16.0 7.5 72 81 A S H X S+ 0 0 6 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.881 107.2 58.3 -64.3 -36.2 33.0 17.2 9.6 73 82 A E H < S+ 0 0 94 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.890 105.7 49.9 -60.4 -38.1 31.0 17.7 6.3 74 83 A I H < S+ 0 0 53 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.908 111.4 48.3 -65.6 -41.4 31.6 14.1 5.5 75 84 A G H < S+ 0 0 9 -4,-1.8 2,-0.6 1,-0.3 -2,-0.2 0.819 113.7 49.6 -67.9 -30.5 30.3 13.1 8.9 76 85 A R S < S+ 0 0 45 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.3 -0.615 74.5 141.3-112.3 70.1 27.3 15.3 8.5 77 86 A T >> - 0 0 61 -2,-0.6 3,-1.9 -3,-0.5 4,-0.5 -0.938 63.6 -86.6-111.2 132.8 25.9 14.4 5.2 78 87 A A T 34 S- 0 0 25 -2,-0.5 125,-0.2 1,-0.2 126,-0.1 -0.055 101.6 -9.4 -44.8 121.1 22.1 14.2 4.8 79 88 A G T 34 S+ 0 0 18 123,-0.4 -1,-0.2 124,-0.2 124,-0.2 0.458 102.1 105.5 71.8 5.7 20.5 10.9 5.8 80 89 A I T <4 S- 0 0 113 -3,-1.9 -2,-0.1 2,-0.2 3,-0.1 0.918 90.0 -9.4 -83.0 -46.1 23.7 8.9 6.1 81 90 A N S < S- 0 0 69 -4,-0.5 2,-0.1 1,-0.4 -5,-0.1 0.061 109.6 -23.3-121.4-130.7 24.1 8.5 9.9 82 91 A G S S- 0 0 31 1,-0.1 -1,-0.4 -2,-0.1 2,-0.2 -0.409 79.8 -84.5 -82.9 166.0 22.3 10.1 12.9 83 92 A L - 0 0 23 101,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.521 43.5-161.0 -75.4 136.4 20.6 13.4 12.6 84 93 A Y - 0 0 28 -2,-0.2 3,-0.1 1,-0.1 126,-0.0 -0.848 15.2-143.2-114.9 154.9 22.7 16.5 13.0 85 94 A R S S- 0 0 61 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.620 70.9 -23.8 -95.3 -13.6 21.5 20.0 13.8 86 95 A A S S- 0 0 2 7,-0.1 -1,-0.2 5,-0.0 3,-0.1 -0.969 82.6 -62.1-177.2 176.3 23.8 22.2 11.7 87 96 A D S > S- 0 0 95 -2,-0.3 3,-2.2 1,-0.2 6,-0.1 -0.473 83.7 -70.0 -70.7 153.5 27.2 22.3 10.0 88 97 A Y T 3 S+ 0 0 32 1,-0.3 -1,-0.2 -19,-0.2 -15,-0.0 -0.198 119.8 5.8 -51.9 126.4 29.9 22.0 12.7 89 98 A G T 3 S+ 0 0 12 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.356 87.9 144.8 84.2 -4.4 30.1 25.1 14.9 90 99 A D X - 0 0 67 -3,-2.2 3,-1.4 1,-0.1 -1,-0.2 -0.525 46.1-146.9 -72.9 127.0 27.0 26.9 13.4 91 100 A K G > S+ 0 0 71 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.641 86.0 86.9 -66.5 -14.2 25.1 28.9 16.0 92 101 A S G 3 S+ 0 0 44 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.0 0.646 74.1 71.4 -61.7 -14.4 21.8 28.1 14.1 93 102 A Q G < 0 0 15 -3,-1.4 -1,-0.3 -6,-0.1 -2,-0.1 0.501 360.0 360.0 -81.2 -2.4 21.6 24.8 16.1 94 103 A F < 0 0 28 -3,-2.0 29,-0.1 119,-0.1 32,-0.1 -0.617 360.0 360.0-110.3 360.0 20.7 26.8 19.3 95 !* 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 96 4 B N > 0 0 116 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -54.0 23.0 23.0 37.9 97 5 B A H > + 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.934 360.0 53.9 -61.1 -44.8 23.6 23.4 34.2 98 6 B K H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 108.2 49.4 -57.2 -42.2 21.1 26.4 34.2 99 7 B Q H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 111.5 48.0 -64.4 -43.4 23.0 28.1 37.0 100 8 B I H X S+ 0 0 9 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.911 111.6 49.4 -65.1 -43.4 26.4 27.7 35.3 101 9 B V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.916 111.4 51.0 -62.1 -41.1 25.1 29.0 32.0 102 10 B H H X S+ 0 0 75 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.933 111.3 46.7 -61.2 -47.6 23.6 32.0 33.8 103 11 B E H X S+ 0 0 87 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.886 112.4 50.1 -63.6 -39.1 26.9 32.8 35.6 104 12 B L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.897 111.0 49.3 -67.2 -39.8 28.9 32.4 32.3 105 13 B Y H X S+ 0 0 69 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.932 110.2 50.9 -63.5 -46.6 26.5 34.7 30.5 106 14 B N H < S+ 0 0 76 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.917 111.7 47.1 -57.7 -46.1 26.7 37.3 33.2 107 15 B D H >< S+ 0 0 41 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.890 116.3 42.3 -65.9 -41.1 30.4 37.3 33.2 108 16 B I H >< S+ 0 0 3 -4,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.837 99.7 72.8 -74.9 -31.2 30.8 37.6 29.5 109 17 B S T 3< S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.540 79.0 78.6 -60.9 -6.6 28.0 40.2 29.2 110 18 B I T < S+ 0 0 129 -3,-0.8 2,-0.3 -4,-0.2 -1,-0.3 0.827 84.8 72.4 -71.3 -31.1 30.4 42.7 30.7 111 19 B S < - 0 0 42 -3,-2.1 -3,-0.0 -4,-0.2 5,-0.0 -0.638 58.6-167.3 -89.2 142.8 32.1 43.1 27.3 112 20 B K + 0 0 189 -2,-0.3 -1,-0.1 3,-0.0 5,-0.1 0.332 47.5 129.7-105.5 2.8 30.6 44.9 24.4 113 21 B D > - 0 0 65 1,-0.1 3,-2.1 3,-0.1 4,-0.3 -0.388 63.6-133.1 -62.6 129.0 33.1 43.5 21.9 114 22 B P G >> S+ 0 0 101 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.687 99.1 78.3 -56.1 -20.8 31.5 41.9 18.9 115 23 B K G 34 S+ 0 0 111 1,-0.3 4,-0.3 2,-0.1 3,-0.1 0.761 99.5 41.3 -61.3 -24.5 33.8 38.9 19.3 116 24 B Y G <> S+ 0 0 46 -3,-2.1 4,-2.7 1,-0.1 -1,-0.3 0.431 87.5 98.2-102.0 -2.5 31.5 37.7 22.1 117 25 B S H <> S+ 0 0 61 -3,-1.1 4,-2.2 -4,-0.3 -2,-0.1 0.911 87.1 40.9 -53.1 -53.1 28.2 38.6 20.3 118 26 B D H X S+ 0 0 61 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.904 114.1 53.6 -64.9 -41.0 27.4 35.1 19.0 119 27 B I H > S+ 0 0 0 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.905 110.5 46.9 -60.3 -41.5 28.5 33.4 22.2 120 28 B L H X S+ 0 0 29 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.924 111.6 51.6 -65.6 -41.7 26.2 35.7 24.3 121 29 B E H X S+ 0 0 54 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.919 112.9 44.8 -59.2 -46.6 23.4 34.9 21.8 122 30 B V H X S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.917 111.6 51.2 -66.3 -44.7 23.9 31.2 22.2 123 31 B L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.907 111.1 49.9 -60.1 -41.0 24.2 31.3 26.0 124 32 B Q H X S+ 0 0 95 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.937 111.0 48.6 -62.3 -45.8 21.0 33.2 26.1 125 33 B K H X S+ 0 0 68 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.864 112.6 48.0 -64.4 -35.7 19.2 30.7 23.9 126 34 B V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.920 111.9 50.2 -70.3 -41.4 20.5 27.8 25.9 127 35 B Y H X S+ 0 0 52 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.932 109.9 49.0 -61.0 -48.4 19.4 29.5 29.2 128 36 B L H < S+ 0 0 87 -4,-2.7 3,-0.3 1,-0.2 4,-0.3 0.856 112.2 49.9 -60.3 -35.4 15.9 30.2 27.9 129 37 B K H >< S+ 0 0 45 -4,-1.4 3,-1.8 -5,-0.2 6,-0.4 0.940 108.5 51.9 -68.8 -44.8 15.6 26.6 26.8 130 38 B L H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.624 97.3 68.5 -67.3 -12.5 16.8 25.4 30.2 131 39 B E T 3< S+ 0 0 98 -4,-0.9 2,-0.5 -3,-0.3 -1,-0.3 0.628 83.6 86.5 -80.2 -13.3 14.2 27.5 31.9 132 40 B K S X S- 0 0 125 -3,-1.8 3,-1.4 -4,-0.3 4,-0.1 -0.780 80.0-137.8 -90.5 126.6 11.5 25.2 30.4 133 41 B Q G > S+ 0 0 162 -2,-0.5 3,-2.2 1,-0.3 4,-0.2 0.850 101.3 64.0 -49.7 -40.8 10.8 22.2 32.6 134 42 B K G > S+ 0 0 109 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.851 103.7 47.0 -54.2 -37.6 10.7 20.0 29.5 135 43 B Y G < S+ 0 0 81 -3,-1.4 -1,-0.3 -6,-0.4 -2,-0.2 0.187 97.3 71.4 -94.4 18.6 14.3 20.7 28.9 136 44 B E G < + 0 0 50 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.312 69.7 94.5-108.8 3.3 15.4 20.1 32.4 137 45 B L S < S- 0 0 160 -3,-0.8 -2,-0.1 1,-0.2 -1,-0.1 0.970 113.8 -17.1 -57.7 -56.5 14.9 16.3 32.1 138 46 B D - 0 0 96 1,-0.0 4,-0.4 2,-0.0 -1,-0.2 -0.662 62.4-174.9-155.3 94.1 18.5 15.8 31.2 139 47 B P > + 0 0 21 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.538 60.9 99.5 -66.6 -8.5 20.6 18.8 30.1 140 48 B S H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 80.8 43.9 -48.7 -57.5 23.6 16.7 29.3 141 49 B P H > S+ 0 0 83 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.909 116.7 48.3 -57.2 -43.2 23.3 16.4 25.5 142 50 B L H > S+ 0 0 16 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.926 112.7 46.8 -62.9 -47.0 22.4 20.1 25.1 143 51 B I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.850 106.8 59.5 -65.1 -33.3 25.3 21.2 27.3 144 52 B N H X S+ 0 0 64 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.924 107.5 45.7 -60.8 -43.5 27.6 18.9 25.4 145 53 B R H X S+ 0 0 40 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.932 112.2 52.0 -65.1 -44.0 26.7 20.8 22.2 146 54 B L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.918 109.3 49.0 -57.2 -48.3 27.2 24.2 24.0 147 55 B V H X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.931 113.1 45.9 -60.1 -47.4 30.6 23.3 25.3 148 56 B N H X S+ 0 0 27 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.859 112.2 52.5 -66.8 -30.2 31.9 22.1 21.9 149 57 B Y H X S+ 0 0 9 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.928 108.0 52.1 -68.1 -42.8 30.4 25.2 20.3 150 58 B L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.901 110.9 45.8 -60.9 -42.5 32.2 27.4 22.8 151 59 B Y H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.908 114.7 47.9 -69.1 -39.1 35.6 25.8 22.1 152 60 B F H X S+ 0 0 37 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.933 115.3 44.1 -64.5 -46.3 35.0 26.0 18.3 153 61 B T H X S+ 0 0 8 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.866 112.7 51.7 -67.4 -37.9 33.9 29.7 18.4 154 62 B A H <>S+ 0 0 1 -4,-2.2 5,-3.0 -5,-0.3 4,-0.4 0.914 112.0 47.8 -64.8 -42.2 36.7 30.6 20.8 155 63 B Y H ><5S+ 0 0 6 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.963 115.1 44.5 -61.2 -52.1 39.2 29.0 18.5 156 64 B T H 3<5S+ 0 0 71 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.859 118.5 41.7 -61.9 -39.9 37.8 30.8 15.4 157 65 B N T 3<5S- 0 0 46 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.340 109.7-119.2 -91.5 6.5 37.4 34.2 17.1 158 66 B K T < 5 + 0 0 142 -3,-1.0 2,-0.4 -4,-0.4 -3,-0.2 0.950 55.5 165.6 54.0 52.9 40.8 33.9 18.8 159 67 B I < - 0 0 7 -5,-3.0 2,-0.7 -6,-0.1 -1,-0.2 -0.861 29.4-159.9-105.1 133.3 39.2 34.2 22.2 160 68 B R - 0 0 184 -2,-0.4 6,-0.0 -5,-0.0 -5,-0.0 -0.904 18.8-140.8-113.4 102.2 41.0 33.3 25.4 161 69 B F - 0 0 7 -2,-0.7 -2,-0.0 1,-0.1 -7,-0.0 -0.324 25.6-110.1 -60.4 140.3 38.4 32.7 28.2 162 70 B T > - 0 0 67 1,-0.1 4,-3.6 4,-0.0 5,-0.3 -0.211 32.0 -99.9 -67.0 163.7 39.5 34.1 31.6 163 71 B E H > S+ 0 0 155 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.880 127.1 48.7 -51.7 -40.5 40.5 31.7 34.4 164 72 B Y H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 113.6 44.5 -66.4 -47.2 37.0 32.2 35.8 165 73 B Q H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.912 111.9 52.2 -65.1 -43.4 35.2 31.6 32.5 166 74 B E H X S+ 0 0 59 -4,-3.6 4,-2.1 1,-0.2 -1,-0.2 0.868 107.9 53.9 -61.8 -33.6 37.4 28.6 31.7 167 75 B E H X S+ 0 0 95 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.924 108.1 48.2 -66.7 -43.1 36.5 27.2 35.1 168 76 B L H X S+ 0 0 12 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.894 111.4 51.3 -63.6 -38.9 32.7 27.6 34.4 169 77 B I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.862 105.7 54.4 -67.4 -35.6 33.2 25.9 31.1 170 78 B R H X S+ 0 0 132 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.885 107.7 50.7 -65.5 -35.7 35.1 22.9 32.7 171 79 B N H X S+ 0 0 74 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.861 109.6 50.5 -68.2 -34.7 32.1 22.4 35.0 172 80 B L H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.903 105.5 56.6 -68.0 -39.8 29.8 22.5 31.9 173 81 B S H < S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.858 103.8 54.4 -59.0 -36.1 32.1 19.9 30.3 174 82 B E H < S+ 0 0 155 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.948 112.5 41.4 -62.3 -50.3 31.5 17.6 33.3 175 83 B I H < 0 0 31 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.871 360.0 360.0 -64.9 -38.0 27.7 17.8 33.0 176 84 B G < 0 0 32 -4,-3.0 -1,-0.2 -33,-0.2 -2,-0.2 0.702 360.0 360.0 -70.8 360.0 28.0 17.5 29.2 177 !* 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 0.0 178 4 C N > 0 0 142 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 2.4 7.9 21.1 18.5 179 5 C A H > + 0 0 20 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.911 360.0 49.1 -65.0 -42.8 8.2 20.5 14.7 180 6 C K H > S+ 0 0 51 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.911 109.0 53.6 -62.0 -43.0 11.9 19.8 15.1 181 7 C Q H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.935 111.6 44.3 -56.3 -49.8 11.3 17.4 17.9 182 8 C I H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.912 113.6 49.0 -64.2 -45.2 8.8 15.4 15.8 183 9 C V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.924 113.1 48.9 -60.6 -42.2 11.0 15.4 12.7 184 10 C H H X S+ 0 0 41 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.913 111.3 48.8 -64.4 -43.4 13.9 14.2 14.9 185 11 C E H X S+ 0 0 62 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.900 112.7 47.8 -63.6 -40.7 11.9 11.5 16.5 186 12 C L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.923 111.7 50.6 -66.2 -44.3 10.7 10.2 13.2 187 13 C Y H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.948 111.5 47.8 -57.6 -50.6 14.2 10.3 11.7 188 14 C N H X S+ 0 0 75 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.912 112.3 48.3 -58.9 -44.9 15.6 8.3 14.6 189 15 C D H X S+ 0 0 43 -4,-2.3 4,-1.0 1,-0.2 3,-0.3 0.915 115.5 43.6 -63.8 -44.3 12.9 5.7 14.5 190 16 C I H X>S+ 0 0 1 -4,-2.5 4,-1.0 1,-0.2 5,-0.5 0.901 107.5 60.1 -68.3 -40.4 13.2 5.2 10.8 191 17 C S H <5S+ 0 0 32 -4,-3.0 -1,-0.2 -5,-0.3 3,-0.2 0.798 98.4 60.3 -57.1 -31.2 17.0 5.2 11.0 192 18 C I H <5S+ 0 0 126 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.931 97.8 56.1 -63.4 -48.2 16.9 2.2 13.3 193 19 C S H <5S- 0 0 65 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.791 88.5-150.0 -55.9 -33.7 15.1 -0.1 10.8 194 20 C K T <5 + 0 0 180 -4,-1.0 -3,-0.1 1,-0.2 -1,-0.1 0.865 33.0 166.8 61.8 36.5 17.8 0.4 8.2 195 21 C D > < - 0 0 63 -5,-0.5 3,-2.3 1,-0.1 -1,-0.2 -0.754 37.0-146.7 -88.6 122.0 15.1 -0.2 5.5 196 22 C P G > S+ 0 0 105 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.747 97.0 69.6 -56.9 -26.9 16.3 0.9 1.9 197 23 C K G 3 S+ 0 0 91 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.690 101.9 47.7 -65.2 -16.6 12.7 1.9 1.2 198 24 C Y G <> S+ 0 0 13 -3,-2.3 4,-2.4 1,-0.1 -1,-0.2 0.402 78.1 102.5-105.8 1.1 13.3 4.8 3.6 199 25 C S H <> S+ 0 0 67 -3,-1.2 4,-1.8 1,-0.2 -2,-0.1 0.912 87.6 41.2 -52.0 -51.6 16.7 6.1 2.5 200 26 C D H > S+ 0 0 88 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.855 111.0 57.9 -67.9 -33.1 15.4 9.1 0.6 201 27 C I H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.917 105.6 50.5 -62.5 -40.7 12.9 9.8 3.4 202 28 C L H X S+ 0 0 21 -4,-2.4 4,-2.2 1,-0.2 -123,-0.4 0.920 109.6 50.9 -62.6 -41.8 15.8 10.0 5.9 203 29 C E H X S+ 0 0 68 -4,-1.8 4,-2.2 -125,-0.2 -2,-0.2 0.922 112.5 46.4 -60.1 -46.0 17.5 12.5 3.6 204 30 C V H X S+ 0 0 35 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.909 109.7 52.7 -65.3 -43.2 14.4 14.7 3.3 205 31 C L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.911 110.1 49.0 -59.8 -42.3 13.8 14.6 7.1 206 32 C Q H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.930 112.5 48.0 -62.8 -44.1 17.4 15.8 7.7 207 33 C K H X S+ 0 0 96 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.879 112.0 49.1 -65.6 -36.3 17.0 18.6 5.2 208 34 C V H X S+ 0 0 10 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.915 106.7 56.7 -68.4 -40.9 13.6 19.7 6.6 209 35 C Y H < S+ 0 0 2 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.901 107.0 48.9 -56.6 -43.5 15.1 19.7 10.1 210 36 C L H >< S+ 0 0 52 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.889 109.9 51.1 -64.6 -40.0 17.8 22.1 9.0 211 37 C K H >< S+ 0 0 77 -4,-1.6 3,-2.0 1,-0.3 6,-0.4 0.845 99.5 65.3 -66.7 -31.4 15.3 24.4 7.4 212 38 C L T 3< S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.638 94.9 60.3 -66.1 -12.0 13.2 24.4 10.6 213 39 C E T < S+ 0 0 12 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.3 0.361 83.0 102.2 -96.6 5.1 16.1 26.2 12.3 214 40 C K S X> S- 0 0 110 -3,-2.0 4,-1.7 1,-0.1 3,-1.0 -0.689 83.1-121.0 -88.2 141.4 15.8 29.2 9.9 215 41 C Q H >> S+ 0 0 125 -2,-0.3 4,-1.6 1,-0.3 3,-0.6 0.899 112.1 60.3 -45.2 -49.3 14.1 32.3 11.2 216 42 C K H 3> S+ 0 0 140 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.866 113.6 34.8 -46.9 -46.1 11.6 32.0 8.4 217 43 C Y H <4 S+ 0 0 20 -3,-1.0 -1,-0.3 -6,-0.4 -2,-0.2 0.595 105.6 67.9 -90.5 -12.3 10.4 28.6 9.6 218 44 C E H << S+ 0 0 86 -4,-1.7 -2,-0.2 -3,-0.6 -1,-0.2 0.846 106.2 43.6 -73.9 -32.1 10.8 29.1 13.3 219 45 C L H < S+ 0 0 126 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.860 138.7 3.9 -78.1 -38.3 7.9 31.6 13.2 220 46 C D < + 0 0 87 -4,-0.9 4,-0.3 -5,-0.3 -1,-0.2 -0.657 59.5 165.7-153.2 91.5 5.8 29.5 10.9 221 47 C P > + 0 0 36 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.513 54.0 102.4 -83.1 -4.8 6.9 26.0 9.9 222 48 C S H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.849 77.5 50.2 -48.1 -47.0 3.4 25.0 8.6 223 49 C P H > S+ 0 0 57 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.936 116.1 41.4 -61.1 -45.4 4.2 25.4 4.9 224 50 C L H > S+ 0 0 5 -4,-0.3 4,-2.1 -3,-0.3 -2,-0.2 0.920 115.6 50.1 -67.3 -45.5 7.3 23.3 5.1 225 51 C I H X S+ 0 0 10 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.888 108.0 52.7 -63.2 -39.1 5.8 20.7 7.4 226 52 C N H X S+ 0 0 76 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.930 109.7 49.5 -62.5 -41.7 2.7 20.3 5.2 227 53 C R H X S+ 0 0 155 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.884 109.2 52.8 -63.6 -37.6 5.0 19.7 2.2 228 54 C L H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.928 109.6 48.5 -63.2 -44.2 6.9 17.1 4.2 229 55 C V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.932 110.5 50.3 -62.3 -44.7 3.7 15.3 5.1 230 56 C N H X S+ 0 0 70 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.919 111.7 49.9 -58.0 -44.3 2.6 15.3 1.4 231 57 C Y H X S+ 0 0 66 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.899 107.6 53.5 -62.3 -41.7 6.0 13.9 0.5 232 58 C L H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.922 111.7 43.3 -62.6 -44.6 5.8 11.1 3.1 233 59 C Y H X S+ 0 0 98 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.882 114.3 50.4 -70.8 -35.0 2.5 9.8 1.9 234 60 C F H X S+ 0 0 137 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.915 113.2 46.2 -66.2 -41.4 3.4 10.0 -1.7 235 61 C T H X S+ 0 0 7 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.832 107.6 56.5 -71.0 -31.4 6.7 8.2 -1.0 236 62 C A H <>S+ 0 0 12 -4,-1.9 5,-2.4 -5,-0.2 4,-0.5 0.901 110.4 47.2 -64.9 -37.5 4.8 5.5 1.1 237 63 C Y H ><5S+ 0 0 188 -4,-1.7 3,-0.5 3,-0.2 -2,-0.2 0.940 116.0 42.1 -67.8 -48.5 2.7 4.9 -2.0 238 64 C T H 3<5S+ 0 0 47 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.860 122.7 37.9 -69.4 -35.7 5.5 4.7 -4.5 239 65 C N T 3<5S- 0 0 45 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.361 107.4-121.8 -97.4 4.4 7.8 2.6 -2.3 240 66 C K T < 5 + 0 0 152 -3,-0.5 2,-0.4 -4,-0.5 -3,-0.2 0.939 51.7 168.0 52.3 54.5 5.0 0.5 -0.9 241 67 C I < - 0 0 9 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.2 -0.804 28.8-160.3-101.1 137.2 5.7 1.5 2.7 242 68 C R - 0 0 205 -2,-0.4 2,-0.1 -5,-0.0 6,-0.0 -0.974 23.0-136.8-114.9 113.0 3.4 0.8 5.7 243 69 C F - 0 0 16 -2,-0.6 2,-0.0 1,-0.1 -7,-0.0 -0.416 21.5-113.6 -69.2 145.8 4.4 3.2 8.5 244 70 C T > - 0 0 65 1,-0.1 4,-2.9 -2,-0.1 5,-0.3 -0.266 32.9 -99.2 -72.7 166.8 4.5 1.6 12.0 245 71 C E H > S+ 0 0 173 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.895 126.0 46.2 -54.7 -42.3 2.0 2.7 14.6 246 72 C Y H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 112.0 50.5 -67.3 -44.3 4.6 5.0 16.2 247 73 C Q H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.909 109.9 50.2 -60.9 -42.9 5.6 6.5 12.8 248 74 C E H X S+ 0 0 83 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.885 108.5 53.4 -64.0 -36.9 2.0 7.1 11.9 249 75 C E H X S+ 0 0 101 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.926 110.0 47.2 -63.1 -43.6 1.5 8.9 15.2 250 76 C L H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.913 112.0 49.6 -63.5 -44.0 4.4 11.1 14.6 251 77 C I H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.896 109.5 51.5 -63.2 -39.9 3.3 11.9 11.0 252 78 C R H >< S+ 0 0 158 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.912 107.9 53.7 -62.5 -40.6 -0.2 12.7 12.4 253 79 C N H 3< S+ 0 0 66 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.882 97.7 63.0 -61.2 -39.0 1.4 15.1 14.9 254 80 C L H 3< 0 0 17 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.854 360.0 360.0 -55.2 -32.6 3.3 16.9 12.1 255 81 C S << 0 0 59 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.907 360.0 360.0 -91.1 360.0 -0.2 17.8 10.9 256 ! 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 0.0 257 92 C L 0 0 220 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.1 -6.9 28.3 8.2 258 93 C Y - 0 0 149 1,-0.1 3,-0.1 2,-0.0 4,-0.0 0.911 360.0-170.9 63.1 98.9 -7.2 24.5 8.9 259 94 C R - 0 0 207 1,-0.3 2,-0.3 5,-0.0 -1,-0.1 0.631 64.1 -36.3 -93.6 -16.5 -10.3 23.2 7.2 260 95 C A S S- 0 0 20 7,-0.1 -1,-0.3 5,-0.0 3,-0.1 -0.963 83.7 -50.5 174.5 174.9 -10.1 19.8 8.9 261 96 C D S > S- 0 0 103 -2,-0.3 3,-2.4 1,-0.2 6,-0.2 -0.342 81.9 -76.1 -62.7 151.0 -7.7 17.0 10.1 262 97 C Y T 3 S+ 0 0 95 1,-0.3 -1,-0.2 -10,-0.2 3,-0.1 -0.256 120.3 11.9 -52.9 126.8 -5.2 16.0 7.4 263 98 C G T 3 S+ 0 0 64 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.348 87.5 143.9 88.2 -6.2 -7.0 13.9 4.8 264 99 C D X - 0 0 61 -3,-2.4 3,-1.3 1,-0.1 -1,-0.3 -0.504 47.6-145.2 -71.3 129.5 -10.5 14.6 5.9 265 100 C K G > S+ 0 0 179 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.672 88.0 83.6 -67.5 -16.2 -13.0 14.8 3.0 266 101 C S G 3 S+ 0 0 74 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.653 75.9 69.6 -62.5 -17.3 -14.9 17.4 4.9 267 102 C Q G < 0 0 64 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.576 360.0 360.0 -78.1 -9.8 -12.6 20.2 3.7 268 103 C F < 0 0 224 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.615 360.0 360.0-101.1 360.0 -13.9 19.9 0.1