==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-FEB-13 3ZO6 . COMPND 2 MOLECULE: ATP SYNTHASE ROTOR RING; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PSEUDOFIRMUS OF4; . AUTHOR L.PREISS,O.YILDIZ,T.MEIER . 824 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27375.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 694 84.2 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 660 80.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 2 4 18 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 X > 0 0 126 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 10.4 23.8 14.0 -34.4 2 2 A A H > + 0 0 22 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.829 360.0 52.0 -68.2 -34.4 27.6 14.5 -33.9 3 3 A F H > S+ 0 0 87 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.885 108.8 51.1 -65.7 -41.7 26.7 16.4 -30.7 4 4 A L H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.900 106.9 55.2 -60.6 -43.3 24.6 13.5 -29.6 5 5 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.926 102.8 52.2 -57.4 -52.6 27.5 11.1 -30.3 6 6 A A H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.785 108.4 56.1 -56.0 -29.1 30.1 12.8 -28.1 7 7 A A H X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.4 -1,-0.2 0.951 111.8 37.0 -70.5 -52.1 27.5 12.7 -25.3 8 8 A I H X S+ 0 0 22 -4,-1.7 4,-4.4 2,-0.2 5,-0.4 0.862 112.3 58.5 -71.6 -35.0 26.9 8.9 -25.2 9 9 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.892 117.3 33.4 -63.2 -40.3 30.5 7.9 -26.0 10 10 A A H X S+ 0 0 2 -4,-1.2 4,-0.9 -5,-0.3 -1,-0.2 0.830 121.5 51.6 -79.4 -35.5 31.7 9.8 -22.9 11 11 A G H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.884 111.0 45.0 -67.7 -42.6 28.5 8.9 -21.0 12 12 A L H X S+ 0 0 41 -4,-4.4 4,-1.2 1,-0.2 -1,-0.2 0.813 112.8 52.8 -72.2 -30.0 28.7 5.2 -21.8 13 13 A A H X S+ 0 0 0 -4,-0.8 4,-3.2 -5,-0.4 -1,-0.2 0.724 100.4 65.2 -73.5 -22.6 32.4 5.3 -20.8 14 14 A A H X S+ 0 0 0 -4,-0.9 4,-2.9 2,-0.2 5,-0.2 0.965 102.2 44.0 -64.5 -54.3 31.3 7.0 -17.6 15 15 A V H X S+ 0 0 36 -4,-1.3 4,-1.9 2,-0.2 5,-0.5 0.865 116.3 51.4 -58.0 -37.0 29.4 3.9 -16.3 16 16 A G H X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.977 115.1 38.3 -62.1 -58.6 32.4 1.8 -17.5 17 17 A G H X S+ 0 0 0 -4,-3.2 4,-1.5 3,-0.2 -2,-0.2 0.790 119.5 49.0 -66.3 -30.6 35.1 3.9 -15.7 18 18 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -3,-0.2 0.986 119.8 32.3 -72.0 -62.7 33.0 4.5 -12.6 19 19 A I H X S+ 0 0 29 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.825 116.4 61.8 -65.9 -30.6 31.8 0.9 -11.9 20 20 A G H X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.5 -1,-0.2 0.950 113.5 32.1 -59.1 -54.0 35.1 -0.4 -13.3 21 21 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 -5,-0.2 5,-0.3 0.858 115.1 62.4 -71.7 -34.1 37.2 1.4 -10.7 22 22 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.870 102.9 47.3 -61.0 -41.3 34.5 1.0 -8.0 23 23 A I H X S+ 0 0 26 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.786 111.1 53.7 -72.3 -27.1 34.5 -2.8 -8.0 24 24 A I H X S+ 0 0 0 -4,-0.8 4,-2.0 -3,-0.3 -2,-0.2 0.916 111.7 41.0 -75.0 -44.2 38.3 -2.8 -7.8 25 25 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.853 112.8 55.9 -73.5 -35.1 38.6 -0.6 -4.8 26 26 A K H X S+ 0 0 33 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.902 110.5 46.3 -58.2 -42.2 35.7 -2.3 -3.1 27 27 A A H X S+ 0 0 2 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.886 110.1 52.5 -67.0 -40.4 37.6 -5.6 -3.6 28 28 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.792 107.1 52.6 -68.7 -28.5 40.8 -4.0 -2.3 29 29 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.893 107.7 51.8 -71.6 -39.1 39.0 -2.9 0.8 30 30 A E H X S+ 0 0 76 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.774 110.5 50.7 -65.7 -28.1 37.8 -6.5 1.2 31 31 A G H X S+ 0 0 0 -4,-1.3 4,-0.7 2,-0.1 3,-0.4 0.935 113.7 40.9 -72.9 -49.5 41.4 -7.6 0.9 32 32 A T H < S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.782 107.2 63.5 -69.7 -29.7 42.9 -5.2 3.5 33 33 A T H < S+ 0 0 27 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.802 102.3 48.1 -68.1 -30.1 40.0 -5.6 6.0 34 34 A R H < S+ 0 0 162 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.663 136.9 2.2 -94.7 -14.0 40.7 -9.3 6.6 35 35 A Q >< - 0 0 31 -4,-0.7 3,-0.6 -3,-0.1 -1,-0.3 -0.607 56.2-176.0-166.3 116.5 44.3 -8.6 7.1 36 36 A P G > + 0 0 61 0, 0.0 3,-1.2 0, 0.0 4,-0.1 0.311 68.0 96.7 -85.3 2.9 45.9 -5.1 7.0 37 37 A E G 3 S+ 0 0 182 1,-0.3 3,-0.3 2,-0.1 -5,-0.1 0.844 89.3 42.6 -62.0 -35.2 49.4 -6.6 7.4 38 38 A L G <> S+ 0 0 27 -3,-0.6 4,-1.4 1,-0.2 -1,-0.3 -0.274 70.2 135.5-107.0 44.9 49.8 -6.4 3.6 39 39 A R H <> S+ 0 0 150 -3,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.837 73.4 52.7 -62.6 -30.1 48.3 -2.9 3.1 40 40 A G H > S+ 0 0 37 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.849 102.0 54.9 -78.3 -37.8 51.1 -2.1 0.7 41 41 A T H > S+ 0 0 43 1,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.894 114.9 40.1 -65.1 -40.9 50.9 -5.1 -1.6 42 42 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.763 107.8 63.9 -77.7 -27.1 47.2 -4.4 -2.4 43 43 A Q H X S+ 0 0 42 -4,-1.2 4,-1.7 -5,-0.2 -2,-0.2 0.948 109.7 38.9 -59.1 -48.9 47.9 -0.6 -2.5 44 44 A T H X S+ 0 0 66 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.862 112.6 60.1 -66.5 -35.4 50.1 -1.2 -5.5 45 45 A L H X S+ 0 0 4 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.844 108.9 40.3 -65.1 -37.0 47.7 -3.8 -6.8 46 46 A M H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.850 111.5 57.8 -78.2 -33.7 44.8 -1.4 -7.1 47 47 A F H < S+ 0 0 102 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.609 111.8 43.7 -70.5 -11.4 47.1 1.3 -8.4 48 48 A I H X S+ 0 0 48 -4,-0.7 4,-1.1 2,-0.1 -2,-0.2 0.825 116.6 44.5 -91.0 -46.6 48.0 -1.2 -11.2 49 49 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.844 104.4 63.0 -67.9 -37.8 44.4 -2.4 -11.8 50 50 A V H X S+ 0 0 13 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.907 100.5 51.0 -57.7 -47.9 42.8 1.1 -11.8 51 51 A P H > S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.934 112.5 44.7 -57.8 -48.8 44.8 2.4 -14.8 52 52 A L H X S+ 0 0 49 -4,-1.1 4,-0.8 2,-0.2 -2,-0.2 0.866 116.3 47.9 -63.2 -37.0 43.9 -0.5 -17.1 53 53 A A H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.891 118.2 40.6 -65.8 -40.8 40.3 -0.3 -15.9 54 54 A E H X S+ 0 0 19 -4,-2.8 4,-2.3 -5,-0.2 5,-0.2 0.704 98.8 84.9 -78.7 -21.5 40.3 3.4 -16.5 55 55 A A H X S+ 0 0 41 -4,-2.0 4,-1.9 -5,-0.2 5,-0.2 0.895 92.6 37.2 -50.0 -57.4 42.2 2.9 -19.8 56 56 A V H X S+ 0 0 2 -4,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.853 113.4 54.5 -73.6 -36.2 39.4 2.2 -22.2 57 57 A P H > S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.950 111.3 48.2 -57.6 -43.1 36.8 4.6 -20.7 58 58 A I H X S+ 0 0 64 -4,-2.3 4,-1.7 1,-0.2 3,-0.2 0.880 111.4 47.4 -66.1 -38.4 39.4 7.4 -21.1 59 59 A I H X S+ 0 0 56 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.751 109.1 57.2 -72.6 -22.9 40.3 6.5 -24.7 60 60 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.768 106.6 48.4 -73.6 -27.1 36.5 6.4 -25.2 61 61 A I H X S+ 0 0 21 -4,-1.2 4,-3.7 2,-0.2 -2,-0.2 0.800 107.3 53.5 -81.6 -31.2 36.3 10.0 -24.0 62 62 A V H X S+ 0 0 73 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.900 112.3 45.8 -65.7 -40.3 39.1 11.1 -26.3 63 63 A I H X S+ 0 0 9 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.900 114.2 49.3 -64.2 -39.1 37.1 9.6 -29.1 64 64 A S H X S+ 0 0 2 -4,-1.4 4,-0.7 1,-0.2 -2,-0.2 0.917 113.1 45.5 -61.6 -45.7 34.1 11.4 -27.6 65 65 A L H X S+ 0 0 86 -4,-3.7 4,-1.3 1,-0.2 -1,-0.2 0.755 107.4 60.7 -70.3 -25.8 36.1 14.6 -27.5 66 66 A L H < S+ 0 0 75 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 102.1 49.3 -70.8 -41.2 37.3 14.0 -31.0 67 67 A I H < S+ 0 0 26 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.719 116.4 45.8 -68.1 -19.1 33.8 14.0 -32.5 68 68 A L H < 0 0 51 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.754 360.0 360.0 -90.2 -23.2 33.2 17.2 -30.6 69 69 A F < 0 0 197 -4,-1.3 -1,-0.1 -3,-0.1 -2,-0.1 -0.158 360.0 360.0 28.0 360.0 36.4 19.0 -31.5 70 !* 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 71 1 B X > 0 0 118 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.1 25.0 8.1 -38.2 72 2 B A H > + 0 0 25 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.855 360.0 45.9 -71.3 -36.8 28.7 8.0 -39.0 73 3 B F H > S+ 0 0 100 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.903 115.5 46.8 -68.5 -44.4 29.3 10.4 -36.1 74 4 B L H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.886 109.1 56.8 -62.4 -42.0 27.0 8.3 -33.8 75 5 B G H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.949 104.3 48.1 -57.4 -55.2 28.7 5.1 -34.9 76 6 B A H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.809 115.2 49.7 -56.7 -30.3 32.2 6.0 -34.0 77 7 B A H X S+ 0 0 0 -4,-1.1 4,-3.1 2,-0.2 -2,-0.2 0.931 113.6 43.1 -71.5 -48.9 30.7 7.1 -30.6 78 8 B I H X S+ 0 0 30 -4,-2.9 4,-1.9 2,-0.2 5,-0.4 0.851 110.3 56.3 -68.4 -35.6 28.8 3.9 -30.1 79 9 B A H < S+ 0 0 0 -4,-3.3 4,-0.4 -5,-0.2 -1,-0.2 0.906 120.3 29.6 -64.5 -42.9 31.6 1.6 -31.2 80 10 B A H X S+ 0 0 0 -4,-1.2 4,-0.9 -5,-0.3 -2,-0.2 0.834 119.1 55.8 -83.1 -36.6 34.0 3.1 -28.6 81 11 B G H X S+ 0 0 0 -4,-3.1 4,-0.9 2,-0.2 3,-0.3 0.910 112.1 37.5 -67.5 -47.2 31.4 4.0 -26.0 82 12 B L H X S+ 0 0 19 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.780 114.2 58.5 -75.2 -26.5 29.7 0.6 -25.5 83 13 B A H > S+ 0 0 0 -4,-0.4 4,-2.6 -5,-0.4 -1,-0.2 0.699 95.4 66.6 -71.5 -21.3 33.1 -1.1 -25.9 84 14 B A H X S+ 0 0 0 -4,-0.9 4,-3.5 -3,-0.3 5,-0.2 0.961 99.5 47.7 -63.6 -52.8 34.3 1.0 -22.9 85 15 B V H X S+ 0 0 27 -4,-0.9 4,-1.7 2,-0.2 5,-0.5 0.850 111.9 52.6 -56.6 -36.7 32.0 -0.8 -20.5 86 16 B G H X S+ 0 0 0 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.987 117.5 35.1 -61.4 -59.1 33.2 -4.0 -21.9 87 17 B G H X S+ 0 0 0 -4,-2.6 4,-1.7 3,-0.2 -2,-0.2 0.793 118.9 52.1 -67.6 -30.7 36.9 -3.2 -21.5 88 18 B A H X S+ 0 0 0 -4,-3.5 4,-2.1 -5,-0.2 -3,-0.2 0.993 120.0 30.1 -70.4 -63.4 36.4 -1.3 -18.2 89 19 B I H X S+ 0 0 35 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.784 115.4 66.2 -66.4 -26.9 34.5 -3.9 -16.2 90 20 B G H X S+ 0 0 0 -4,-1.8 4,-0.9 -5,-0.5 -1,-0.2 0.947 110.1 33.1 -57.7 -53.0 36.3 -6.6 -18.2 91 21 B V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.853 116.7 59.4 -70.7 -34.4 39.6 -5.7 -16.6 92 22 B A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.846 102.0 52.0 -62.1 -37.9 37.9 -4.7 -13.4 93 23 B I H X S+ 0 0 29 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.834 112.3 47.2 -69.5 -31.7 36.4 -8.2 -13.0 94 24 B I H X S+ 0 0 0 -4,-0.9 4,-1.6 -5,-0.2 -2,-0.2 0.871 111.0 49.0 -77.4 -39.2 39.9 -9.7 -13.4 95 25 B V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.886 107.7 54.8 -71.7 -37.5 41.6 -7.3 -11.0 96 26 B K H X S+ 0 0 54 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.896 107.9 51.6 -57.5 -40.6 39.0 -8.0 -8.3 97 27 B A H X S+ 0 0 2 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.876 107.5 50.7 -64.8 -39.7 39.7 -11.7 -8.7 98 28 B T H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.809 110.3 50.2 -69.7 -29.5 43.5 -11.1 -8.3 99 29 B I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.900 110.8 48.8 -71.7 -41.0 42.7 -9.1 -5.1 100 30 B E H X S+ 0 0 48 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.792 111.4 52.4 -66.0 -29.5 40.6 -11.9 -3.9 101 31 B G H X S+ 0 0 0 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.923 111.8 42.1 -71.8 -47.7 43.4 -14.3 -4.7 102 32 B T H < S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.802 112.3 58.2 -68.5 -29.5 46.1 -12.3 -2.8 103 33 B T H < S+ 0 0 7 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 110.7 39.2 -69.3 -35.4 43.6 -11.9 0.1 104 34 B R H < S+ 0 0 121 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.532 135.8 17.4 -97.9 -3.1 43.0 -15.6 0.6 105 35 B Q < - 0 0 61 -4,-0.8 3,-0.4 -5,-0.1 -1,-0.3 -0.747 57.7-177.0-165.1 110.7 46.7 -16.4 0.0 106 36 B P S > S+ 0 0 70 0, 0.0 3,-0.6 0, 0.0 -4,-0.1 0.558 78.4 75.2 -89.4 -7.9 49.4 -13.8 0.2 107 37 B E T 3 S+ 0 0 160 1,-0.2 3,-0.4 2,-0.1 2,-0.3 0.777 88.9 60.3 -68.6 -29.6 52.1 -16.3 -0.7 108 38 B L T 3> + 0 0 16 -3,-0.4 4,-1.4 1,-0.2 5,-0.2 -0.200 58.3 123.4 -99.4 41.6 51.0 -16.2 -4.4 109 39 B R H <> S+ 0 0 92 -3,-0.6 4,-1.0 -2,-0.3 -1,-0.2 0.854 79.9 46.6 -68.6 -29.5 51.5 -12.6 -5.3 110 40 B G H > S+ 0 0 41 -3,-0.4 4,-1.7 2,-0.2 5,-0.2 0.887 109.7 47.1 -82.0 -42.6 53.8 -13.6 -8.1 111 41 B T H > S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.886 117.9 42.5 -68.9 -39.8 51.9 -16.5 -9.8 112 42 B L H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.783 107.5 61.0 -77.2 -28.6 48.6 -14.6 -9.9 113 43 B Q H X S+ 0 0 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-5,-0.2 -2,-0.2 0.974 113.4 39.4 -62.0 -58.0 11.8 -16.1 -22.0 366 17 F G H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 5,-0.2 0.783 116.3 53.3 -65.8 -29.4 11.3 -19.7 -22.9 367 18 F A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.994 117.7 30.7 -70.7 -64.1 15.0 -20.4 -23.1 368 19 F I H X S+ 0 0 58 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.785 115.9 64.2 -66.3 -28.0 16.2 -19.2 -19.7 369 20 F G H X S+ 0 0 0 -4,-1.9 4,-0.8 -5,-0.4 -1,-0.2 0.967 111.9 31.5 -59.1 -56.0 12.8 -20.1 -18.2 370 21 F V H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 3,-0.3 0.844 115.4 62.7 -71.0 -32.7 13.2 -23.8 -18.8 371 22 F A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.868 102.0 49.2 -60.8 -39.5 17.0 -23.6 -18.3 372 23 F I H X S+ 0 0 35 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.792 110.9 51.5 -71.8 -27.9 16.6 -22.4 -14.7 373 24 F I H X S+ 0 0 0 -4,-0.8 4,-1.7 -3,-0.3 -2,-0.2 0.886 111.4 44.4 -75.9 -41.5 14.2 -25.3 -14.0 374 25 F V H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.868 110.1 56.6 -71.8 -36.3 16.5 -28.0 -15.4 375 26 F K H X S+ 0 0 27 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.899 108.4 48.0 -57.3 -42.0 19.5 -26.4 -13.6 376 27 F A H X S+ 0 0 2 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.878 108.4 53.9 -66.0 -38.9 17.5 -26.8 -10.4 377 28 F T H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.816 105.8 54.0 -67.2 -30.1 16.6 -30.4 -11.2 378 29 F I H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.903 107.7 49.0 -70.1 -40.9 20.4 -31.1 -11.7 379 30 F E H X S+ 0 0 54 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.805 111.8 51.6 -66.6 -29.0 21.1 -29.7 -8.2 380 31 F G H >< S+ 0 0 1 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.927 111.4 44.1 -71.5 -47.4 18.3 -31.9 -6.9 381 32 F T H >< S+ 0 0 6 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.737 104.1 68.1 -67.9 -25.4 19.6 -35.1 -8.5 382 33 F T H 3< S+ 0 0 25 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.843 103.5 40.9 -66.3 -35.6 23.1 -34.3 -7.4 383 34 F R T << S+ 0 0 147 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.304 129.5 25.7 -99.1 10.8 22.4 -34.7 -3.6 384 35 F Q < - 0 0 50 -3,-0.9 -1,-0.3 -4,-0.2 68,-0.0 -0.713 55.8-175.3-169.5 111.6 20.2 -37.9 -4.2 385 36 F P S > S+ 0 0 60 0, 0.0 3,-0.7 0, 0.0 4,-0.1 0.718 89.0 54.8 -90.1 -16.5 20.5 -40.2 -7.1 386 37 F E T > S+ 0 0 148 1,-0.2 3,-1.0 2,-0.1 4,-0.2 0.815 98.7 66.6 -73.7 -32.0 17.5 -42.4 -6.2 387 38 F L T 3> + 0 0 27 1,-0.3 4,-1.3 2,-0.1 -1,-0.2 0.247 69.9 101.7 -74.8 11.8 15.5 -39.2 -6.1 388 39 F R H <> S+ 0 0 119 -3,-0.7 4,-1.0 1,-0.2 -1,-0.3 0.771 76.1 55.7 -67.9 -25.8 15.9 -38.8 -9.9 389 40 F G H <> S+ 0 0 37 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.886 105.2 46.5 -79.0 -41.2 12.4 -40.2 -10.6 390 41 F T H > S+ 0 0 38 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.863 116.4 44.9 -69.3 -38.4 10.3 -37.8 -8.5 391 42 F L H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.764 105.6 62.6 -76.1 -27.4 12.1 -34.7 -9.7 392 43 F Q H X S+ 0 0 52 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.950 110.7 38.4 -59.4 -49.7 12.0 -35.9 -13.3 393 44 F T H < S+ 0 0 74 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.844 113.3 58.6 -66.8 -35.4 8.2 -35.8 -13.1 394 45 F L H X S+ 0 0 1 -4,-1.5 4,-1.3 1,-0.2 3,-0.4 0.831 107.8 44.5 -65.9 -35.1 8.5 -32.6 -11.1 395 46 F M H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.832 106.4 61.1 -75.8 -33.3 10.4 -30.8 -13.9 396 47 F F H < S+ 0 0 90 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.551 105.0 50.7 -70.4 -8.1 7.9 -32.2 -16.4 397 48 F I H > S+ 0 0 56 -3,-0.4 4,-1.1 -4,-0.4 -1,-0.2 0.838 111.8 44.3 -88.9 -46.0 5.3 -30.3 -14.6 398 49 F G H X S+ 0 0 0 -4,-1.3 4,-2.8 1,-0.2 5,-0.2 0.851 103.7 64.9 -68.1 -37.3 7.1 -27.0 -14.6 399 50 F V H X S+ 0 0 17 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.895 101.9 45.9 -57.7 -48.9 8.2 -27.1 -18.2 400 51 F P H > S+ 0 0 70 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.954 116.8 45.5 -59.0 -48.3 4.7 -27.0 -19.8 401 52 F L H X S+ 0 0 61 -4,-1.1 4,-0.7 2,-0.2 -2,-0.2 0.848 113.8 50.1 -61.9 -36.3 3.7 -24.1 -17.5 402 53 F A H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.900 117.5 39.8 -65.6 -41.6 7.0 -22.4 -18.2 403 54 F E H X S+ 0 0 27 -4,-2.8 4,-3.0 -5,-0.2 5,-0.3 0.688 96.7 87.8 -78.7 -20.8 6.4 -22.9 -21.9 404 55 F A H X S+ 0 0 48 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.886 95.0 32.0 -48.7 -57.3 2.7 -22.0 -21.6 405 56 F V H X S+ 0 0 12 -4,-0.7 4,-2.9 -3,-0.2 -1,-0.2 0.905 119.1 51.1 -75.5 -41.4 2.8 -18.3 -22.0 406 57 F P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.928 111.5 49.1 -58.0 -43.0 5.8 -18.1 -24.4 407 58 F I H X S+ 0 0 61 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.895 115.0 44.1 -64.6 -38.1 4.2 -20.6 -26.7 408 59 F I H X S+ 0 0 84 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.828 114.2 50.4 -73.5 -30.5 1.0 -18.6 -26.5 409 60 F A H X S+ 0 0 0 -4,-2.9 4,-0.9 2,-0.2 -2,-0.2 0.766 114.1 45.3 -74.3 -27.4 3.1 -15.4 -27.0 410 61 F I H X S+ 0 0 15 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.790 107.7 57.4 -82.6 -31.0 4.8 -17.2 -30.0 411 62 F V H X S+ 0 0 78 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.939 111.6 41.7 -63.2 -46.4 1.4 -18.3 -31.3 412 63 F I H X S+ 0 0 9 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.856 110.6 60.4 -65.8 -33.8 0.2 -14.7 -31.4 413 64 F S H X S+ 0 0 2 -4,-0.9 4,-0.9 1,-0.2 -2,-0.2 0.903 102.5 49.6 -58.4 -44.0 3.7 -13.9 -32.8 414 65 F L H < S+ 0 0 74 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.816 111.8 50.0 -67.7 -29.3 3.2 -16.1 -35.8 415 66 F L H >< S+ 0 0 70 -4,-1.1 3,-0.7 1,-0.2 -1,-0.2 0.834 100.9 64.3 -72.8 -35.9 -0.2 -14.4 -36.3 416 67 F I H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.766 103.6 46.2 -63.0 -24.8 1.5 -11.0 -36.1 417 68 F L T 3< 0 0 19 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.678 360.0 360.0 -90.3 -17.4 3.5 -11.6 -39.2 418 69 F F < 0 0 163 -3,-0.7 -3,-0.1 -4,-0.5 -63,-0.1 0.089 360.0 360.0 -87.4 360.0 0.6 -12.9 -41.2 419 !* 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 0.0 420 1 H X > 0 0 115 0, 0.0 4,-3.2 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -1.3 1.5 -1.0 -35.0 421 2 H A H > + 0 0 35 2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.859 360.0 42.6 -69.2 -37.6 -1.5 -3.1 -34.0 422 3 H F H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.898 116.1 48.8 -68.6 -44.1 0.7 -6.0 -34.8 423 4 H L H > S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.887 110.8 50.5 -61.8 -43.4 3.5 -4.3 -33.0 424 5 H G H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.965 111.8 45.9 -59.2 -54.3 1.3 -3.5 -30.0 425 6 H A H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.794 114.0 53.8 -57.5 -29.5 0.2 -7.1 -29.8 426 7 H A H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.941 112.1 38.8 -71.3 -51.5 3.8 -8.0 -30.2 427 8 H I H X S+ 0 0 34 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.867 116.5 51.9 -70.3 -36.8 5.3 -5.9 -27.4 428 9 H A H X S+ 0 0 0 -4,-2.8 4,-0.9 -5,-0.3 -1,-0.2 0.887 119.4 35.7 -66.3 -40.5 2.4 -6.6 -25.0 429 10 H A H X S+ 0 0 0 -4,-1.4 4,-1.3 -5,-0.3 -2,-0.2 0.824 117.5 52.8 -79.9 -35.3 2.8 -10.4 -25.6 430 11 H G H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.911 112.6 43.6 -66.9 -43.1 6.5 -10.3 -25.8 431 12 H L H X S+ 0 0 29 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.809 114.9 50.4 -71.9 -30.6 6.8 -8.4 -22.5 432 13 H A H X S+ 0 0 0 -4,-0.9 4,-2.3 -5,-0.3 -1,-0.2 0.716 104.2 62.1 -75.2 -23.2 4.3 -10.8 -21.0 433 14 H A H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.970 105.3 41.9 -66.5 -56.1 6.3 -13.7 -22.4 434 15 H V H X S+ 0 0 22 -4,-1.6 4,-1.9 2,-0.2 5,-0.4 0.856 115.7 53.4 -59.5 -36.7 9.4 -13.0 -20.3 435 16 H G H X S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.2 5,-0.2 0.975 112.9 39.2 -61.5 -58.5 7.3 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-24.1 -9.1 446 27 H A H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.892 110.9 49.7 -65.6 -40.1 12.1 -23.2 -5.5 447 28 H T H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.843 113.5 46.1 -69.0 -32.7 9.9 -26.4 -5.3 448 29 H I H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.902 115.8 45.2 -72.9 -41.9 12.8 -28.4 -6.6 449 30 H E H X S+ 0 0 82 -4,-3.1 4,-0.8 -5,-0.2 -2,-0.2 0.787 115.6 50.8 -67.8 -29.1 15.1 -26.6 -4.2 450 31 H G H < S+ 0 0 1 -4,-2.3 4,-0.4 -5,-0.2 3,-0.3 0.929 110.9 44.4 -72.6 -48.4 12.5 -27.2 -1.6 451 32 H T H < S+ 0 0 3 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.784 107.1 60.6 -68.2 -29.4 12.0 -30.9 -2.2 452 33 H T H < S+ 0 0 21 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.842 106.7 44.2 -69.7 -33.3 15.7 -31.7 -2.4 453 34 H R S < S+ 0 0 136 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.435 133.2 18.2 -97.8 4.6 16.4 -30.4 1.2 454 35 H Q + 0 0 62 -3,-0.4 -1,-0.3 -4,-0.4 3,-0.3 -0.589 58.0 178.3-168.4 109.6 13.3 -32.3 2.5 455 36 H P S > S+ 0 0 63 0, 0.0 3,-0.8 0, 0.0 4,-0.1 0.534 77.1 73.6 -89.2 -7.0 11.6 -35.1 0.6 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