==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 15-MAR-10 2X9C . COMPND 2 MOLECULE: PROTEIN PRGI; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR O.POYRAZ,H.SCHMIDT,K.SEIDEL,F.DELISSEN,C.ADER,H.TENENBOIM,C. . 124 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 87.1 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 80.6 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+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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 2 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 19 A G 0 0 77 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.2 11.4 -7.7 18.7 2 20 A V > + 0 0 46 2,-0.1 4,-1.7 3,-0.1 38,-0.1 0.660 360.0 55.6 -97.7 -21.6 11.0 -7.9 14.9 3 21 A D H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.782 98.6 59.8 -81.9 -30.0 12.9 -4.7 14.2 4 22 A N H > S+ 0 0 99 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.889 108.5 48.5 -62.4 -35.5 16.0 -5.6 16.1 5 23 A L H > S+ 0 0 16 -4,-0.3 4,-2.4 2,-0.2 5,-0.3 0.950 106.7 53.1 -66.8 -50.8 16.0 -8.5 13.6 6 24 A Q H X S+ 0 0 80 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.843 113.8 47.0 -52.2 -33.9 15.5 -6.2 10.6 7 25 A T H X S+ 0 0 70 -4,-2.0 4,-3.0 2,-0.2 3,-0.3 0.961 109.4 49.3 -73.3 -55.2 18.5 -4.4 12.0 8 26 A Q H X S+ 0 0 66 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.761 111.2 52.6 -57.1 -27.2 20.7 -7.4 12.6 9 27 A V H X S+ 0 0 10 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.871 111.7 43.8 -76.7 -38.5 20.0 -8.5 9.0 10 28 A T H X S+ 0 0 72 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.903 115.4 50.1 -70.2 -41.2 21.0 -5.2 7.5 11 29 A E H X S+ 0 0 82 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.882 111.1 47.4 -63.3 -43.2 24.0 -5.1 9.8 12 30 A A H X S+ 0 0 7 -4,-1.9 4,-1.5 -5,-0.2 17,-0.2 0.828 112.5 50.9 -68.0 -33.6 25.1 -8.6 8.8 13 31 A L H X S+ 0 0 71 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.845 108.0 52.2 -72.0 -37.5 24.6 -7.7 5.2 14 32 A D H X S+ 0 0 97 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.918 108.4 49.8 -66.3 -44.4 26.7 -4.6 5.5 15 33 A K H X S+ 0 0 106 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.891 115.5 44.1 -61.9 -37.5 29.6 -6.5 7.0 16 34 A L H >< S+ 0 0 23 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.885 106.7 58.9 -73.1 -40.4 29.4 -9.1 4.2 17 35 A A H 3< S+ 0 0 74 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.825 110.1 45.7 -58.0 -30.8 29.0 -6.4 1.5 18 36 A A H 3< S+ 0 0 85 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.568 129.3 21.3 -90.1 -12.5 32.3 -5.0 2.6 19 37 A K X< + 0 0 104 -3,-1.0 3,-2.2 -4,-0.5 -1,-0.2 -0.356 66.9 166.8-153.5 60.9 34.2 -8.3 2.9 20 38 A P T 3 S+ 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.521 71.4 68.6 -59.1 -4.7 32.4 -10.8 0.7 21 39 A S T 3 S+ 0 0 100 -5,-0.1 -5,-0.1 -3,-0.0 -3,-0.0 0.518 75.8 96.8 -92.3 -8.2 35.4 -13.2 0.9 22 40 A D <> - 0 0 42 -3,-2.2 4,-1.0 -6,-0.2 3,-0.2 -0.752 56.0-165.8 -86.3 116.9 34.8 -14.0 4.6 23 41 A P H > S+ 0 0 100 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.790 87.0 61.1 -72.5 -29.3 32.8 -17.2 5.1 24 42 A A H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.857 107.1 47.6 -65.7 -32.3 32.0 -16.5 8.7 25 43 A L H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.773 110.2 50.8 -78.0 -27.9 30.2 -13.4 7.5 26 44 A L H X S+ 0 0 77 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.835 111.6 49.2 -75.8 -32.9 28.3 -15.3 4.8 27 45 A A H X S+ 0 0 55 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.893 110.8 49.8 -70.8 -39.5 27.3 -17.8 7.5 28 46 A A H X S+ 0 0 40 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.914 112.2 47.2 -67.3 -40.3 26.1 -15.1 9.8 29 47 A Y H X S+ 0 0 49 -4,-1.7 4,-1.8 -17,-0.2 -1,-0.2 0.884 111.6 49.3 -69.4 -39.4 24.1 -13.4 7.1 30 48 A Q H X S+ 0 0 118 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.936 112.3 50.2 -63.2 -45.3 22.4 -16.6 6.0 31 49 A S H X S+ 0 0 78 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.887 112.8 44.1 -60.5 -45.2 21.6 -17.4 9.6 32 50 A K H X S+ 0 0 65 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.796 109.2 58.2 -74.8 -24.9 20.0 -14.1 10.4 33 51 A L H X S+ 0 0 60 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.932 109.8 42.5 -69.7 -42.0 18.1 -14.0 7.1 34 52 A S H X S+ 0 0 60 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.773 111.1 55.6 -75.0 -24.2 16.3 -17.3 7.8 35 53 A E H X S+ 0 0 93 -4,-1.3 4,-2.5 -5,-0.2 -1,-0.2 0.924 111.0 46.6 -68.1 -42.4 15.7 -16.2 11.4 36 54 A Y H X S+ 0 0 21 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.946 114.4 45.5 -62.5 -51.0 14.0 -13.1 9.9 37 55 A N H X S+ 0 0 59 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.902 112.8 50.5 -62.4 -42.6 12.0 -15.1 7.4 38 56 A L H X S+ 0 0 114 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.961 112.1 47.7 -59.2 -51.1 10.9 -17.7 9.9 39 57 A Y H X S+ 0 0 89 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.919 112.6 48.5 -55.8 -50.4 9.8 -14.9 12.3 40 58 A R H X S+ 0 0 118 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.834 111.1 49.5 -62.3 -35.4 7.9 -13.1 9.6 41 59 A N H X S+ 0 0 84 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.857 108.0 54.8 -72.4 -32.2 6.1 -16.2 8.4 42 60 A A H X S+ 0 0 54 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.931 111.3 46.0 -62.9 -45.8 5.2 -17.0 12.1 43 61 A Q H X S+ 0 0 88 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.939 114.5 44.7 -62.8 -51.1 3.6 -13.5 12.3 44 62 A S H X S+ 0 0 59 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.854 115.1 48.7 -65.6 -34.3 1.7 -13.7 9.0 45 63 A N H X S+ 0 0 88 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.826 112.6 49.1 -72.8 -31.1 0.5 -17.2 9.7 46 64 A T H X S+ 0 0 80 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.852 110.4 50.1 -75.7 -35.6 -0.6 -16.2 13.2 47 65 A A H X S+ 0 0 50 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.915 107.3 54.4 -68.6 -41.5 -2.5 -13.2 11.9 48 66 A K H X S+ 0 0 122 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.870 108.5 49.6 -59.7 -37.5 -4.3 -15.3 9.3 49 67 A A H X S+ 0 0 29 -4,-1.3 4,-1.4 2,-0.2 3,-0.3 0.881 109.5 49.7 -69.8 -39.6 -5.5 -17.6 12.0 50 68 A F H X S+ 0 0 106 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.856 105.6 59.0 -67.6 -30.8 -6.8 -14.8 14.2 51 69 A K H X S+ 0 0 149 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.815 99.6 57.6 -64.3 -32.2 -8.5 -13.5 11.0 52 70 A D H X S+ 0 0 102 -4,-1.0 4,-2.1 -3,-0.3 -1,-0.2 0.924 108.5 45.0 -63.8 -43.2 -10.4 -16.8 10.9 53 71 A I H X S+ 0 0 17 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.859 111.7 53.1 -66.4 -37.6 -11.7 -16.1 14.4 54 72 A D H X S+ 0 0 83 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.887 108.0 50.6 -64.6 -40.0 -12.5 -12.6 13.4 55 73 A A H X S+ 0 0 47 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 110.3 49.3 -63.0 -45.2 -14.5 -13.9 10.5 56 74 A A H < S+ 0 0 5 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.859 111.7 50.0 -62.7 -35.9 -16.4 -16.3 12.8 57 75 A I H >< S+ 0 0 80 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.975 111.8 47.5 -64.8 -55.4 -17.1 -13.4 15.1 58 76 A I H >< S+ 0 0 122 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.866 108.0 51.9 -54.8 -46.9 -18.4 -11.1 12.4 59 77 A Q T 3< S+ 0 0 137 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.299 111.0 50.4 -80.7 16.0 -20.7 -13.5 10.7 60 78 A N T < 0 0 69 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 -0.113 360.0 360.0-137.3 32.0 -22.4 -14.3 14.0 61 79 A F < 0 0 225 -3,-1.3 -3,-0.1 0, 0.0 -4,-0.1 -0.415 360.0 360.0 -64.9 360.0 -22.9 -10.6 14.9 62 !* 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 63 18 B T >> 0 0 146 0, 0.0 4,-1.0 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -28.5 9.6 -34.7 20.2 64 19 B G H 3> + 0 0 21 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.817 360.0 63.4 -74.3 -29.2 12.0 -31.9 19.3 65 20 B V H 3> S+ 0 0 30 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.640 99.0 55.4 -65.1 -18.3 12.1 -31.4 23.0 66 21 B D H <> S+ 0 0 112 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.856 106.4 47.4 -82.6 -41.7 13.6 -34.9 23.2 67 22 B N H X S+ 0 0 102 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.942 114.8 45.9 -64.4 -49.6 16.5 -34.2 20.8 68 23 B L H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.854 106.5 60.8 -60.8 -37.9 17.4 -31.0 22.6 69 24 B Q H X S+ 0 0 77 -4,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.930 104.8 49.1 -54.0 -47.9 17.1 -32.8 25.9 70 25 B T H X S+ 0 0 70 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.913 109.6 50.3 -58.9 -47.6 19.8 -35.1 24.7 71 26 B Q H X S+ 0 0 49 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.811 107.6 54.4 -62.7 -31.6 22.0 -32.2 23.7 72 27 B V H X S+ 0 0 10 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.883 110.7 46.2 -68.7 -38.9 21.6 -30.6 27.1 73 28 B T H X S+ 0 0 61 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.844 111.9 50.5 -70.8 -37.7 22.7 -33.8 28.8 74 29 B E H X S+ 0 0 97 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.940 110.6 49.1 -66.0 -47.3 25.7 -34.1 26.5 75 30 B A H X S+ 0 0 16 -4,-2.3 4,-1.6 1,-0.2 17,-0.2 0.879 111.8 49.8 -58.1 -40.4 26.8 -30.5 27.1 76 31 B L H X S+ 0 0 74 -4,-1.7 4,-3.5 1,-0.2 5,-0.2 0.928 109.4 51.8 -64.5 -47.0 26.5 -31.1 30.9 77 32 B D H X S+ 0 0 98 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.855 107.7 50.0 -60.3 -40.7 28.6 -34.3 30.7 78 33 B K H X S+ 0 0 132 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.900 115.7 45.5 -66.3 -34.8 31.4 -32.6 28.8 79 34 B L H < S+ 0 0 24 -4,-1.6 3,-0.5 -5,-0.2 -2,-0.2 0.952 106.7 55.8 -70.6 -50.7 31.3 -29.9 31.4 80 35 B A H < S+ 0 0 74 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.700 111.5 47.6 -56.0 -20.3 31.1 -32.2 34.4 81 36 B A H < S+ 0 0 84 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.801 126.2 23.8 -92.3 -32.6 34.3 -33.9 33.1 82 37 B K S >< S+ 0 0 111 -4,-1.4 3,-1.8 -3,-0.5 -1,-0.2 -0.582 71.1 169.7-133.4 67.4 36.4 -30.8 32.4 83 38 B P T 3 S+ 0 0 101 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.641 70.3 65.6 -54.8 -20.1 34.8 -28.1 34.8 84 39 B S T 3 S+ 0 0 101 -5,-0.1 -5,-0.1 -3,-0.1 -2,-0.0 0.633 76.1 97.9 -83.4 -12.5 37.6 -25.6 34.1 85 40 B D <> - 0 0 44 -3,-1.8 4,-1.1 -6,-0.2 3,-0.3 -0.683 54.2-164.1 -84.2 117.5 36.9 -25.0 30.4 86 41 B P H > S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.820 89.1 63.3 -65.5 -34.1 34.9 -21.8 29.8 87 42 B A H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.887 105.6 44.9 -57.7 -42.2 34.0 -23.0 26.3 88 43 B L H > S+ 0 0 35 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.776 111.4 53.2 -73.0 -28.8 32.1 -26.0 27.7 89 44 B L H X S+ 0 0 75 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.823 110.7 47.0 -74.4 -32.7 30.4 -23.8 30.3 90 45 B A H X S+ 0 0 55 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.916 110.4 52.4 -72.4 -46.5 29.2 -21.5 27.5 91 46 B A H X S+ 0 0 50 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.891 111.8 46.5 -57.9 -43.2 28.0 -24.4 25.4 92 47 B Y H X S+ 0 0 49 -4,-1.8 4,-3.3 -17,-0.2 5,-0.3 0.962 112.9 47.0 -64.7 -53.4 26.0 -25.7 28.3 93 48 B Q H X S+ 0 0 115 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.910 113.3 51.4 -52.5 -45.5 24.4 -22.4 29.3 94 49 B S H X S+ 0 0 80 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.899 114.7 41.3 -60.0 -44.7 23.6 -21.8 25.7 95 50 B K H X S+ 0 0 47 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.837 111.7 53.7 -74.6 -36.4 21.9 -25.2 25.3 96 51 B L H X S+ 0 0 59 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.915 112.1 47.8 -63.3 -41.6 20.1 -25.2 28.6 97 52 B S H X S+ 0 0 57 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.952 109.8 49.4 -63.2 -53.4 18.7 -21.8 27.6 98 53 B E H X S+ 0 0 87 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.893 112.5 51.8 -52.4 -41.7 17.6 -23.0 24.1 99 54 B Y H X S+ 0 0 20 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.928 111.1 44.4 -62.6 -48.2 16.0 -25.9 25.8 100 55 B N H X S+ 0 0 80 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.859 114.8 48.5 -66.8 -36.9 14.0 -23.8 28.3 101 56 B L H X S+ 0 0 115 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.897 113.1 47.1 -70.6 -39.3 12.9 -21.3 25.7 102 57 B Y H X S+ 0 0 88 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.814 113.3 49.6 -71.0 -32.8 11.8 -24.0 23.3 103 58 B R H X S+ 0 0 144 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.942 110.8 48.4 -70.3 -49.5 10.0 -25.9 26.1 104 59 B N H X S+ 0 0 91 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.822 112.9 50.0 -60.1 -33.3 8.2 -22.7 27.2 105 60 B A H X S+ 0 0 49 -4,-1.6 4,-3.3 2,-0.2 5,-0.3 0.934 107.1 52.1 -72.3 -47.7 7.2 -22.0 23.6 106 61 B Q H X S+ 0 0 75 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.962 113.8 46.3 -50.3 -55.5 5.8 -25.5 22.9 107 62 B S H X S+ 0 0 63 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.944 116.9 40.4 -52.8 -59.0 3.7 -25.2 26.0 108 63 B N H X S+ 0 0 77 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.899 115.7 51.5 -61.1 -40.3 2.4 -21.6 25.3 109 64 B T H X S+ 0 0 88 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.893 109.1 50.2 -66.0 -38.8 1.9 -22.3 21.7 110 65 B A H X S+ 0 0 53 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.2 0.797 110.2 51.4 -70.7 -27.1 -0.1 -25.5 22.4 111 66 B K H X S+ 0 0 123 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.835 110.7 47.2 -78.6 -29.9 -2.3 -23.6 24.8 112 67 B A H X S+ 0 0 48 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.733 107.0 58.0 -80.0 -25.2 -3.0 -20.9 22.2 113 68 B F H X S+ 0 0 133 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.925 109.0 44.9 -68.8 -47.0 -3.8 -23.4 19.5 114 69 B K H X S+ 0 0 144 -4,-1.4 4,-2.3 1,-0.2 5,-0.2 0.872 111.2 53.8 -66.5 -34.6 -6.5 -24.9 21.7 115 70 B D H X S+ 0 0 112 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.883 108.6 49.3 -67.6 -37.2 -7.8 -21.5 22.5 116 71 B I H X S+ 0 0 32 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.939 112.2 46.7 -66.5 -48.5 -8.1 -20.5 18.8 117 72 B D H X S+ 0 0 69 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.958 116.7 45.1 -57.0 -52.7 -10.0 -23.7 17.9 118 73 B A H X S+ 0 0 54 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.930 109.1 56.2 -57.4 -47.6 -12.3 -23.3 20.9 119 74 B A H X S+ 0 0 35 -4,-2.8 4,-0.9 -5,-0.2 -1,-0.2 0.908 109.2 47.1 -52.6 -42.9 -12.8 -19.6 20.1 120 75 B I H X S+ 0 0 50 -4,-2.2 4,-0.6 2,-0.2 3,-0.5 0.922 114.9 44.6 -65.8 -46.5 -14.0 -20.4 16.6 121 76 B I H >< S+ 0 0 99 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.912 105.4 61.2 -64.3 -44.5 -16.4 -23.2 17.7 122 77 B Q H >< S+ 0 0 111 -4,-3.4 3,-1.0 1,-0.3 -1,-0.2 0.781 97.1 62.7 -55.0 -26.7 -17.7 -21.0 20.6 123 78 B N H 3< S+ 0 0 40 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.844 97.9 54.8 -68.5 -34.1 -18.9 -18.6 18.0 124 79 B F T << 0 0 115 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 -0.041 360.0 360.0 -92.8 32.6 -21.3 -21.1 16.4 125 80 B R < 0 0 226 -3,-1.0 -1,-0.2 0, 0.0 -2,-0.1 0.023 360.0 360.0-154.5 360.0 -23.2 -21.9 19.6