==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-NOV-12 4I0X . COMPND 2 MOLECULE: ESAT-6-LIKE PROTEIN MAB_3112; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR M.A.ARBING,S.CHAN,J.LU,E.KUO,L.HARRIS,D.EISENBERG,INTEGRATED . 923 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 821 88.9 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 . 13 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 746 80.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 19 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 2 A D > 0 0 178 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -31.5 -8.9 -17.1 12.2 2 3 A E H > + 0 0 59 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.834 360.0 57.9 -60.2 -28.8 -9.8 -16.6 15.8 3 4 A V H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.966 108.4 43.0 -67.2 -51.9 -6.5 -14.8 16.2 4 5 A G H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.862 113.2 55.0 -54.9 -38.7 -7.5 -12.2 13.5 5 6 A A H X S+ 0 0 26 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.909 108.4 46.6 -66.6 -39.5 -10.9 -12.0 15.1 6 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.851 109.0 54.9 -72.3 -33.1 -9.6 -11.2 18.5 7 8 A S H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.904 111.9 44.1 -62.8 -40.9 -7.3 -8.6 17.1 8 9 A K H X S+ 0 0 101 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.881 113.6 51.5 -70.8 -37.0 -10.2 -6.9 15.5 9 10 A F H X S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.962 111.8 44.8 -65.7 -51.1 -12.3 -7.3 18.6 10 11 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.903 114.7 49.7 -58.7 -42.9 -9.7 -5.7 20.9 11 12 A A H X S+ 0 0 19 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.927 111.9 47.7 -63.8 -44.5 -9.0 -2.9 18.4 12 13 A S H X S+ 0 0 60 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.904 111.5 49.7 -63.2 -43.9 -12.7 -2.1 18.0 13 14 A L H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.901 108.8 54.0 -63.6 -41.0 -13.3 -2.1 21.8 14 15 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.937 108.3 49.2 -55.1 -49.0 -10.3 0.2 22.2 15 16 A D H X S+ 0 0 118 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.916 113.5 46.3 -59.3 -44.5 -11.8 2.7 19.7 16 17 A Q H X S+ 0 0 93 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.879 111.9 50.8 -66.9 -37.6 -15.2 2.6 21.5 17 18 A M H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.893 109.2 50.9 -67.9 -36.2 -13.6 3.0 25.0 18 19 A R H X S+ 0 0 133 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.945 113.8 44.1 -65.4 -49.4 -11.6 6.0 23.9 19 20 A A H X S+ 0 0 58 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.896 115.9 47.7 -57.5 -47.4 -14.6 7.7 22.4 20 21 A G H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.894 111.6 49.9 -63.2 -45.8 -16.8 6.8 25.4 21 22 A S H X S+ 0 0 8 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.886 111.8 47.1 -59.5 -44.3 -14.2 8.0 27.9 22 23 A N H X S+ 0 0 60 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.901 112.7 50.7 -66.7 -40.7 -13.7 11.4 26.1 23 24 A S H X S+ 0 0 46 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.924 111.4 46.9 -61.5 -43.1 -17.4 11.8 25.9 24 25 A L H X S+ 0 0 7 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.857 107.3 57.9 -70.2 -33.9 -17.9 11.1 29.6 25 26 A D H X S+ 0 0 42 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.944 107.5 47.1 -63.1 -43.1 -15.0 13.4 30.5 26 27 A R H X S+ 0 0 153 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.926 113.9 47.9 -62.7 -43.4 -16.8 16.3 28.8 27 28 A D H X S+ 0 0 12 -4,-2.0 4,-0.7 2,-0.2 253,-0.2 0.938 113.2 47.4 -63.0 -47.5 -20.0 15.5 30.6 28 29 A V H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 4,-0.5 0.940 110.6 50.6 -61.2 -51.4 -18.4 15.1 34.0 29 30 A Q H >< S+ 0 0 68 -4,-2.7 3,-1.2 1,-0.3 4,-0.4 0.838 102.3 62.5 -56.2 -33.8 -16.5 18.4 33.7 30 31 A S H >< S+ 0 0 19 -4,-1.8 3,-0.7 1,-0.2 4,-0.3 0.758 93.9 64.4 -66.5 -21.3 -19.7 20.2 32.7 31 32 A L G XX S+ 0 0 1 -3,-1.4 4,-2.8 -4,-0.7 3,-1.1 0.785 89.4 66.5 -69.6 -23.9 -21.2 19.4 36.1 32 33 A F G <4 S+ 0 0 14 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.633 79.8 76.8 -83.2 -11.7 -18.7 21.4 38.1 33 34 A G G <4 S+ 0 0 41 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.836 120.2 11.1 -59.3 -33.7 -19.8 24.7 36.7 34 35 A V T <4 S+ 0 0 22 -3,-1.1 2,-0.7 -4,-0.3 -2,-0.2 0.714 111.7 83.2-114.5 -33.0 -22.8 24.4 39.1 35 36 A W < + 0 0 6 -4,-2.8 2,-0.3 46,-0.1 -1,-0.1 -0.677 56.7 165.4 -85.8 115.9 -22.0 21.6 41.5 36 37 A K + 0 0 64 -2,-0.7 4,-0.3 447,-0.2 3,-0.2 -0.817 24.3 50.0-122.5 161.9 -19.8 22.7 44.3 37 38 A G S > S- 0 0 3 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.458 96.5 -40.3 106.7-175.7 -18.8 21.2 47.7 38 39 A S H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.800 131.8 49.0 -62.5 -32.3 -17.4 18.0 49.2 39 40 A A H > S+ 0 0 3 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.911 110.7 50.6 -76.7 -38.4 -19.6 15.7 47.1 40 41 A A H > S+ 0 0 2 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.927 111.1 50.2 -59.5 -39.1 -18.6 17.5 44.0 41 42 A D H X S+ 0 0 85 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.893 110.8 47.7 -67.1 -42.3 -15.0 17.1 45.0 42 43 A A H X S+ 0 0 26 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.885 110.9 52.2 -67.7 -38.2 -15.3 13.4 45.7 43 44 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.934 106.9 53.3 -61.7 -48.5 -17.1 12.9 42.3 44 45 A R H X S+ 0 0 107 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.899 111.7 44.2 -53.0 -43.3 -14.2 14.7 40.5 45 46 A S H X S+ 0 0 55 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.858 111.1 54.6 -78.9 -26.2 -11.6 12.4 42.1 46 47 A G H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.923 110.5 46.7 -60.6 -46.0 -13.8 9.3 41.4 47 48 A W H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.899 108.1 55.4 -65.0 -42.0 -13.9 10.3 37.8 48 49 A D H X S+ 0 0 78 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.905 111.9 44.3 -56.0 -42.8 -10.2 11.0 37.7 49 50 A E H X S+ 0 0 33 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.914 113.9 49.7 -70.7 -42.7 -9.7 7.4 38.9 50 51 A M H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.929 112.4 46.6 -57.5 -46.7 -12.3 6.0 36.5 51 52 A Q H X S+ 0 0 49 -4,-3.3 4,-2.6 2,-0.2 -1,-0.2 0.873 110.0 54.6 -65.8 -37.1 -10.7 7.8 33.5 52 53 A D H X S+ 0 0 38 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.931 110.0 46.7 -62.2 -42.1 -7.3 6.6 34.6 53 54 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.929 110.6 52.2 -65.5 -42.3 -8.6 3.0 34.6 54 55 A A H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.927 108.7 50.7 -61.3 -45.0 -10.2 3.5 31.2 55 56 A T H X S+ 0 0 63 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.903 109.6 49.5 -57.4 -47.0 -7.0 4.8 29.7 56 57 A K H X S+ 0 0 41 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.888 112.1 49.4 -62.0 -39.6 -5.0 1.8 31.1 57 58 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.952 110.7 49.6 -62.1 -46.0 -7.6 -0.5 29.6 58 59 A W H X S+ 0 0 56 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.893 111.4 49.7 -61.5 -42.6 -7.5 1.2 26.2 59 60 A N H X S+ 0 0 66 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.861 111.0 48.1 -64.3 -39.0 -3.7 1.0 26.2 60 61 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.907 112.1 49.9 -70.7 -40.2 -3.7 -2.7 27.0 61 62 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.906 111.1 48.5 -62.0 -45.7 -6.3 -3.4 24.3 62 63 A T H X S+ 0 0 12 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.883 111.1 51.6 -61.9 -43.5 -4.4 -1.5 21.7 63 64 A D H X S+ 0 0 73 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.957 113.8 41.1 -59.5 -53.5 -1.2 -3.3 22.6 64 65 A I H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.891 113.2 55.4 -68.0 -35.2 -2.6 -6.8 22.4 65 66 A A H X S+ 0 0 1 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.944 111.9 43.5 -58.2 -46.9 -4.6 -5.9 19.2 66 67 A S H X S+ 0 0 7 -4,-2.3 4,-3.6 2,-0.2 5,-0.4 0.906 113.2 50.1 -65.8 -45.6 -1.3 -4.8 17.5 67 68 A T H X S+ 0 0 47 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.931 114.1 45.3 -60.8 -45.7 0.7 -7.8 18.7 68 69 A L H < S+ 0 0 5 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.839 118.1 44.2 -65.9 -35.2 -1.9 -10.2 17.5 69 70 A G H >< S+ 0 0 34 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.923 123.6 33.3 -75.0 -43.4 -2.3 -8.3 14.2 70 71 A S H 3< S+ 0 0 9 -4,-3.6 3,-0.2 1,-0.2 -3,-0.2 0.831 127.2 37.3 -87.3 -31.2 1.4 -7.8 13.5 71 72 A N T >X S+ 0 0 56 -4,-2.8 3,-1.7 -5,-0.4 4,-0.5 -0.107 70.6 143.0-109.7 38.2 2.8 -11.1 15.0 72 73 A A G X4 + 0 0 51 -3,-0.5 3,-1.5 1,-0.3 -1,-0.2 0.804 63.5 63.9 -44.5 -41.0 -0.1 -13.4 14.0 73 74 A A G 34 S+ 0 0 107 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.787 95.7 55.9 -58.9 -34.6 2.3 -16.3 13.3 74 75 A A G <4 0 0 68 -3,-1.7 46,-0.4 1,-0.3 49,-0.3 0.585 360.0 360.0 -76.7 -10.3 3.5 -16.7 17.0 75 76 A F << 0 0 19 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 -0.004 360.0 360.0-101.9 360.0 -0.1 -17.1 18.0 76 !* 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 77 8 B E 0 0 139 0, 0.0 2,-0.7 0, 0.0 420,-0.1 0.000 360.0 360.0 360.0 -63.9 -37.4 19.8 45.5 78 9 B F - 0 0 75 415,-0.1 5,-0.1 416,-0.1 413,-0.1 -0.896 360.0-142.5-114.3 97.7 -35.0 17.9 43.2 79 10 B S > - 0 0 27 -2,-0.7 4,-2.0 411,-0.2 5,-0.2 -0.008 21.1-110.5 -66.6 163.6 -33.3 20.4 41.0 80 11 B F H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 117.6 59.1 -53.2 -42.8 -32.3 20.1 37.4 81 12 B D H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 104.2 48.7 -61.5 -38.5 -28.7 20.0 38.5 82 13 B L H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 111.2 49.9 -70.2 -38.4 -29.2 16.9 40.6 83 14 B D H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.887 109.5 52.8 -62.5 -36.8 -31.0 15.2 37.8 84 15 B H H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.948 109.0 48.8 -63.3 -45.7 -28.1 16.1 35.5 85 16 B I H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.928 111.2 50.2 -57.4 -48.1 -25.6 14.6 37.9 86 17 B E H X S+ 0 0 66 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.893 109.9 50.4 -60.6 -40.9 -27.6 11.4 38.1 87 18 B Q H X S+ 0 0 23 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.893 111.6 47.1 -63.3 -42.5 -27.8 11.2 34.3 88 19 B V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.906 113.0 49.7 -65.6 -38.9 -24.0 11.6 33.9 89 20 B T H X S+ 0 0 1 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.895 108.0 53.6 -68.5 -37.8 -23.5 9.0 36.6 90 21 B S H X S+ 0 0 47 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.884 107.8 50.2 -64.1 -36.6 -25.9 6.7 34.8 91 22 B R H X S+ 0 0 79 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.895 109.0 52.2 -68.5 -36.2 -23.8 7.1 31.6 92 23 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.838 109.7 49.3 -67.3 -35.5 -20.6 6.3 33.5 93 24 B R H X S+ 0 0 68 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.901 109.7 50.7 -68.1 -41.4 -22.4 3.1 34.9 94 25 B G H X S+ 0 0 34 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.878 110.9 50.3 -61.5 -37.9 -23.4 2.2 31.3 95 26 B F H X S+ 0 0 16 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.947 109.1 49.3 -68.2 -49.2 -19.8 2.6 30.2 96 27 B K H X S+ 0 0 63 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.890 112.4 49.0 -54.3 -42.4 -18.5 0.5 33.1 97 28 B E H X S+ 0 0 107 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.893 111.5 49.7 -65.9 -40.9 -21.0 -2.3 32.2 98 29 B F H X S+ 0 0 55 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.937 112.1 48.0 -62.3 -45.4 -20.0 -2.0 28.5 99 30 B V H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.935 114.8 43.7 -63.6 -46.8 -16.3 -2.3 29.3 100 31 B T H X S+ 0 0 40 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.879 111.0 54.2 -70.8 -37.2 -16.6 -5.3 31.6 101 32 B E H X S+ 0 0 127 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.909 114.1 41.6 -58.3 -45.0 -19.0 -7.2 29.4 102 33 B N H X S+ 0 0 28 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.851 111.5 52.3 -81.0 -32.3 -16.7 -6.9 26.5 103 34 B L H X S+ 0 0 4 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.873 109.0 54.8 -61.5 -39.3 -13.5 -7.6 28.3 104 35 B D H X S+ 0 0 100 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.886 108.7 46.6 -58.5 -42.0 -15.3 -10.7 29.6 105 36 B Q H X S+ 0 0 87 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.916 114.3 47.6 -69.6 -41.7 -16.0 -11.8 26.1 106 37 B L H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.937 112.9 47.6 -62.3 -49.1 -12.4 -11.2 25.0 107 38 B E H X S+ 0 0 37 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.905 110.6 53.1 -60.8 -43.2 -11.0 -13.0 28.0 108 39 B S H X S+ 0 0 63 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.898 114.2 40.1 -60.7 -43.8 -13.3 -16.0 27.5 109 40 B R H X S+ 0 0 61 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.900 119.2 45.9 -75.7 -37.4 -12.3 -16.5 23.8 110 41 B A H X S+ 0 0 1 -4,-2.7 4,-1.5 -5,-0.2 3,-0.4 0.887 107.3 56.7 -71.7 -38.0 -8.6 -15.8 24.4 111 42 B Q H X S+ 0 0 85 -4,-3.0 4,-2.8 1,-0.3 -1,-0.2 0.847 99.5 60.4 -67.7 -31.4 -8.4 -18.0 27.5 112 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109.6 51.1 -70.0 -35.1 -44.9 47.0 44.4 307 79 D M H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.913 110.4 49.9 -62.1 -44.9 -47.0 48.2 41.5 308 80 D E H X S+ 0 0 56 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.932 112.0 46.1 -64.1 -44.5 -50.1 46.5 42.9 309 81 D E H X S+ 0 0 92 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.897 111.7 53.2 -62.1 -40.7 -49.6 48.0 46.4 310 82 D A H X S+ 0 0 4 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.919 108.9 47.8 -62.5 -44.3 -48.9 51.4 44.8 311 83 D A H < S+ 0 0 7 -4,-2.4 4,-0.3 1,-0.2 3,-0.3 0.921 112.0 50.7 -61.1 -44.3 -52.2 51.4 42.8 312 84 D R H ><>S+ 0 0 136 -4,-2.2 5,-2.7 1,-0.2 3,-1.6 0.892 105.1 56.9 -60.7 -38.9 -54.0 50.3 45.9 313 85 D T H ><5S+ 0 0 62 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.858 95.5 66.1 -61.8 -31.8 -52.5 53.1 47.9 314 86 D A T 3<5S+ 0 0 30 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.588 111.9 33.0 -69.8 -10.9 -53.9 55.7 45.4 315 87 D H T < 5S- 0 0 78 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 -0.029 116.6 -97.1-141.9 39.1 -57.4 54.8 46.5 316 88 D G T < 5S+ 0 0 80 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.691 92.9 114.4 67.4 21.8 -57.3 53.9 50.2 317 89 D A < + 0 0 32 -5,-2.7 2,-0.6 -6,-0.2 -4,-0.2 0.151 40.2 110.1-111.7 13.9 -57.1 50.2 49.5 318 90 D Y 0 0 121 -6,-0.5 -9,-0.0 1,-0.2 -2,-0.0 -0.845 360.0 360.0-106.6 119.6 -53.7 49.4 50.8 319 91 D S 0 0 147 -2,-0.6 -1,-0.2 0, 0.0 -10,-0.0 0.702 360.0 360.0-107.9 360.0 -53.1 47.3 53.9 320 !* 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 0.0 321 3 E E > 0 0 175 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -70.5 -11.5 10.3 -5.8 322 4 E V H > + 0 0 57 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.870 360.0 57.2 -65.8 -34.6 -11.3 6.7 -4.6 323 5 E G H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 104.7 50.4 -62.7 -42.7 -9.1 6.0 -7.7 324 6 E A H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 106.5 55.3 -64.0 -39.3 -6.7 8.7 -6.5 325 7 E L H X S+ 0 0 10 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.917 107.9 49.8 -60.5 -41.9 -6.6 7.1 -3.0 326 8 E S H X S+ 0 0 21 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.925 111.1 47.1 -62.5 -46.4 -5.6 3.8 -4.6 327 9 E K H X S+ 0 0 162 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.884 111.3 52.7 -64.8 -37.8 -2.8 5.3 -6.7 328 10 E F H X S+ 0 0 33 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.959 111.2 46.0 -61.7 -49.7 -1.5 7.2 -3.6 329 11 E A H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.902 113.1 49.7 -59.2 -44.3 -1.4 4.0 -1.5 330 12 E A H X S+ 0 0 45 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.915 111.6 48.2 -62.1 -44.6 0.4 2.1 -4.4 331 13 E S H X S+ 0 0 64 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.925 110.8 50.0 -65.1 -44.5 3.0 4.8 -4.9 332 14 E L H X S+ 0 0 3 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.946 108.9 54.4 -57.2 -45.6 3.7 5.0 -1.1 333 15 E A H X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.934 109.5 47.2 -50.7 -48.3 4.1 1.2 -1.1 334 16 E D H X S+ 0 0 91 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.890 112.8 48.0 -68.1 -36.6 6.7 1.3 -3.8 335 17 E Q H X S+ 0 0 96 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.880 111.6 49.5 -70.6 -37.1 8.6 4.1 -2.2 336 18 E M H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.867 107.4 54.8 -69.7 -38.5 8.7 2.4 1.2 337 19 E R H X S+ 0 0 118 -4,-2.1 4,-2.1 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77 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.877 110.6 46.6 -67.9 -42.8 1.5 -5.1 2.1 379 61 E A H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.888 114.2 48.9 -66.2 -39.0 -1.5 -3.4 3.7 380 62 E L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.917 112.0 47.6 -63.0 -46.3 -1.0 -0.5 1.3 381 63 E T H X S+ 0 0 67 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.914 111.1 53.3 -62.3 -40.8 -0.7 -2.7 -1.7 382 64 E D H X S+ 0 0 94 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.930 112.0 42.3 -63.9 -45.0 -3.8 -4.6 -0.5 383 65 E I H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.856 110.3 57.0 -72.9 -30.6 -6.0 -1.5 -0.3 384 66 E A H < S+ 0 0 11 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.912 111.7 44.2 -64.0 -39.0 -4.7 -0.1 -3.5 385 67 E S H < S+ 0 0 100 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.922 112.6 50.7 -69.5 -46.3 -5.8 -3.2 -5.3 386 68 E T H < 0 0 94 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.910 360.0 360.0 -59.7 -44.7 -9.1 -3.4 -3.5 387 69 E L < 0 0 45 -4,-2.5 45,-0.0 -5,-0.1 0, 0.0 -0.530 360.0 360.0 -81.9 360.0 -10.1 0.2 -4.4 388 !* 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 0.0 389 7 F S 0 0 122 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.3 39.5 5.4 15.7 390 8 F E + 0 0 183 1,-0.3 2,-0.7 2,-0.0 0, 0.0 0.927 360.0 36.0 -79.2 -52.8 40.1 1.7 15.0 391 9 F F S > S- 0 0 99 -38,-0.1 3,-2.2 1,-0.0 -1,-0.3 -0.884 104.5-117.0-101.2 105.2 37.2 1.5 12.4 392 10 F S T 3 S- 0 0 80 -2,-0.7 -2,-0.0 1,-0.3 -1,-0.0 -0.032 86.6 -12.0 -42.2 123.6 37.2 4.9 10.6 393 11 F F T 3> S+ 0 0 124 1,-0.1 4,-2.7 3,-0.1 -1,-0.3 0.719 85.3 144.8 55.7 26.3 34.0 6.9 11.1 394 12 F D H <> S+ 0 0 37 -3,-2.2 4,-2.3 1,-0.2 5,-0.2 0.939 74.2 45.7 -59.6 -44.6 32.3 3.9 12.7 395 13 F L H > S+ 0 0 72 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.900 112.1 51.7 -65.0 -40.1 30.3 6.2 15.1 396 14 F D H > S+ 0 0 78 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.938 110.2 49.4 -60.5 -41.9 29.5 8.6 12.2 397 15 F H H X S+ 0 0 90 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.906 109.6 50.4 -68.2 -39.2 28.1 5.7 10.2 398 16 F I H X S+ 0 0 6 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.932 114.0 46.5 -60.9 -44.2 26.0 4.4 13.0 399 17 F E H X S+ 0 0 121 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.910 112.9 48.0 -65.2 -42.0 24.6 7.9 13.5 400 18 F Q H X S+ 0 0 120 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.922 113.0 47.7 -67.1 -42.6 23.9 8.4 9.8 401 19 F V H X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.914 113.0 48.9 -63.4 -39.8 22.2 5.1 9.3 402 20 F T H X S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.863 110.7 51.0 -66.6 -35.4 20.1 5.7 12.4 403 21 F S H X S+ 0 0 59 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.884 108.6 51.0 -69.0 -39.6 19.2 9.1 11.1 404 22 F R H X S+ 0 0 173 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.926 108.5 52.6 -60.8 -44.3 18.2 7.6 7.8 405 23 F A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.906 110.2 47.5 -60.0 -42.9 16.0 5.1 9.7 406 24 F R H X S+ 0 0 75 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.898 110.8 52.1 -61.7 -42.8 14.3 8.0 11.6 407 25 F G H X S+ 0 0 32 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.874 107.9 53.1 -57.9 -38.0 13.8 9.8 8.3 408 26 F F H X S+ 0 0 17 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.952 109.6 47.2 -63.1 -51.3 12.2 6.7 6.9 409 27 F K 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440 62 F H H X S+ 0 0 48 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.909 105.7 50.9 -60.0 -45.9 -5.8 1.2 8.1 441 63 F K H X S+ 0 0 40 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.936 109.7 50.9 -59.6 -43.9 -6.0 -1.1 11.2 442 64 F E H X S+ 0 0 94 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.939 114.5 42.4 -61.6 -45.1 -3.4 -3.5 9.6 443 65 F W H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.819 110.9 56.0 -77.9 -23.3 -1.0 -0.6 8.8 444 66 F M H X S+ 0 0 67 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.947 110.4 45.1 -62.1 -49.7 -1.6 1.0 12.2 445 67 F D H X S+ 0 0 7 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.909 115.3 48.6 -55.6 -45.8 -0.5 -2.3 13.9 446 68 F A H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.844 107.3 55.7 -63.4 -37.8 2.4 -2.6 11.4 447 69 F A H X S+ 0 0 20 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.810 103.2 54.9 -67.9 -31.4 3.4 1.0 12.2 448 70 F R H X S+ 0 0 91 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.876 109.8 46.7 -67.5 -37.1 3.6 0.2 15.9 449 71 F E H X S+ 0 0 11 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.893 111.1 52.9 -68.4 -38.3 6.0 -2.6 15.1 450 72 F L H X S+ 0 0 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2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.914 111.7 52.6 -63.4 -41.5 6.0 1.1 36.7 781 6 K A H X S+ 0 0 46 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.903 108.5 50.9 -58.9 -40.1 8.0 -2.0 37.9 782 7 K L H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.902 109.6 50.8 -64.1 -41.1 7.1 -1.1 41.5 783 8 K S H X S+ 0 0 13 -4,-2.0 4,-2.7 61,-0.2 -2,-0.2 0.932 108.9 49.7 -65.0 -44.4 3.5 -0.9 40.4 784 9 K K H X S+ 0 0 114 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.879 111.2 50.9 -62.6 -33.7 3.6 -4.3 38.7 785 10 K F H X S+ 0 0 36 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.956 112.4 44.5 -69.3 -51.1 5.2 -5.9 41.8 786 11 K A H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.903 113.6 52.1 -54.0 -46.3 2.5 -4.5 44.1 787 12 K A H X S+ 0 0 4 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.896 111.1 46.0 -63.0 -41.1 -0.2 -5.5 41.7 788 13 K S H X S+ 0 0 45 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.941 113.9 48.7 -65.2 -45.3 1.1 -9.1 41.5 789 14 K L H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.922 108.8 53.9 -61.8 -45.8 1.4 -9.3 45.2 790 15 K A H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 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