==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAY-12 4AV3 . COMPND 2 MOLECULE: K(+)-STIMULATED PYROPHOSPHATE-ENERGIZED SODIUM PU . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.KAJANDER,K.KOGAN,J.KELLOSALO,K.POKHAREL,A.GOLDMAN . 1400 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1234 88.1 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 . 18 1.3 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 . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 27 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1009 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.6 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 1 1 0 0 3 0 1 3 1 0 2 0 2 4 0 0 0 2 0 4 0 2 0 4 0 16 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 . 1 2 0 2 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 . 4 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 Y > 0 0 234 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-177.3 -31.2 65.5 -4.8 2 3 A V H > + 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.617 360.0 73.2 -66.2 -18.5 -28.5 67.0 -2.6 3 4 A A H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.990 110.9 22.1 -63.0 -75.2 -28.1 64.3 0.0 4 5 A A H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.892 118.2 68.3 -57.6 -41.2 -26.3 61.5 -1.9 5 6 A L H >< S+ 0 0 106 -4,-1.4 3,-0.5 1,-0.3 4,-0.2 0.897 106.4 38.9 -39.8 -56.0 -25.1 64.2 -4.3 6 7 A F H >< S+ 0 0 40 -4,-2.1 3,-1.3 -3,-0.5 -1,-0.3 0.865 112.3 57.8 -63.3 -40.5 -22.9 65.6 -1.5 7 8 A F H 3< S+ 0 0 25 -4,-1.8 4,-0.2 1,-0.3 -2,-0.2 0.654 102.0 54.6 -73.4 -14.7 -22.0 62.2 -0.2 8 9 A L T S+ 0 0 18 -3,-1.3 4,-2.7 -4,-0.2 5,-0.2 0.876 82.0 54.6 -56.3 -40.2 -18.1 64.1 -3.7 10 11 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.868 104.9 54.2 -64.6 -35.9 -15.3 62.1 -2.1 11 12 A L H > S+ 0 0 84 -3,-0.3 4,-3.0 -4,-0.2 5,-0.2 0.916 108.9 47.4 -59.8 -44.3 -15.7 59.5 -4.7 12 13 A V H X S+ 0 0 77 -4,-1.8 4,-3.6 1,-0.2 5,-0.2 0.969 109.9 52.9 -66.3 -47.8 -15.2 62.0 -7.5 13 14 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.903 111.8 47.3 -44.3 -47.3 -12.2 63.5 -5.7 14 15 A L H X S+ 0 0 32 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.931 113.0 46.0 -67.3 -46.2 -10.8 59.9 -5.7 15 16 A G H X S+ 0 0 42 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.887 110.7 56.1 -58.8 -34.8 -11.6 59.3 -9.4 16 17 A F H X S+ 0 0 43 -4,-3.6 4,-3.2 2,-0.2 5,-0.2 0.942 107.3 47.4 -68.1 -44.9 -10.1 62.7 -10.0 17 18 A A H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.961 111.0 52.2 -50.4 -52.6 -6.9 61.5 -8.3 18 19 A A H X S+ 0 0 63 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.829 111.9 46.7 -60.0 -32.0 -7.0 58.4 -10.4 19 20 A A H X S+ 0 0 48 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.962 110.5 49.6 -74.3 -52.8 -7.4 60.6 -13.5 20 21 A N H X S+ 0 0 12 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.886 112.1 51.6 -54.1 -35.7 -4.5 63.0 -12.6 21 22 A F H X S+ 0 0 51 -4,-3.0 4,-3.5 -5,-0.2 -1,-0.2 0.966 112.3 44.7 -59.3 -55.9 -2.4 59.8 -11.9 22 23 A A H X S+ 0 0 55 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.942 113.2 49.4 -52.3 -55.5 -3.3 58.5 -15.4 23 24 A A H < S+ 0 0 74 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.790 117.3 42.5 -64.0 -28.4 -2.7 61.8 -17.2 24 25 A V H >< S+ 0 0 15 -4,-1.8 3,-2.2 -5,-0.3 -1,-0.2 0.906 110.8 54.2 -75.1 -50.5 0.7 62.1 -15.4 25 26 A V H 3< S+ 0 0 67 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.918 103.9 56.1 -54.9 -44.9 1.6 58.5 -15.9 26 27 A R T 3< S+ 0 0 115 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.614 90.2 96.8 -60.5 -17.2 1.0 58.9 -19.7 27 28 A K S < S- 0 0 23 -3,-2.2 2,-0.1 -5,-0.2 76,-0.1 -0.510 77.3-122.4 -68.1 145.6 3.6 61.8 -19.5 28 29 A P 0 0 76 0, 0.0 78,-0.2 0, 0.0 79,-0.1 -0.435 360.0 360.0 -93.1 165.5 7.1 60.7 -20.5 29 30 A E 0 0 102 -2,-0.1 74,-0.1 77,-0.1 6,-0.1 -0.925 360.0 360.0-114.6 360.0 10.7 60.6 -19.1 30 ! 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 31 32 A T > 0 0 80 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 153.3 16.5 59.7 -20.6 32 33 A E H > + 0 0 85 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.880 360.0 46.9 -57.3 -42.0 18.1 56.5 -19.3 33 34 A R H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.864 113.3 50.0 -65.2 -38.7 19.9 58.6 -16.7 34 35 A M H > S+ 0 0 6 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.911 115.4 41.5 -69.0 -41.6 16.6 60.3 -16.0 35 36 A K H X S+ 0 0 29 -4,-3.5 4,-2.4 2,-0.2 5,-0.2 0.953 112.9 54.2 -67.2 -49.0 14.7 56.9 -15.7 36 37 A E H X S+ 0 0 62 -4,-2.9 4,-1.9 1,-0.3 -2,-0.2 0.851 109.2 46.3 -55.7 -44.2 17.5 55.2 -13.6 37 38 A I H X S+ 0 0 33 -4,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.878 111.2 53.8 -66.4 -37.2 17.6 58.0 -11.0 38 39 A S H X S+ 0 0 5 -4,-1.2 4,-3.1 1,-0.2 -2,-0.2 0.943 109.2 47.2 -63.8 -48.1 13.8 58.0 -10.7 39 40 A S H X S+ 0 0 63 -4,-2.4 4,-3.2 2,-0.2 5,-0.5 0.865 106.8 58.1 -60.2 -42.1 13.6 54.2 -10.1 40 41 A Y H X S+ 0 0 44 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.970 116.4 34.4 -49.1 -55.5 16.4 54.5 -7.5 41 42 A I H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.822 118.2 52.9 -74.2 -29.9 14.2 56.9 -5.5 42 43 A R H X S+ 0 0 40 -4,-3.1 4,-2.0 2,-0.2 -3,-0.2 0.926 114.1 41.2 -72.3 -47.7 10.9 55.3 -6.4 43 44 A S H X S+ 0 0 54 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.898 113.2 57.6 -60.0 -43.9 12.1 51.8 -5.3 44 45 A G H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.5 -2,-0.2 0.884 106.5 47.7 -52.7 -44.4 13.7 53.7 -2.3 45 46 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.927 109.5 52.2 -65.5 -45.5 10.3 55.1 -1.4 46 47 A D H X S+ 0 0 56 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.902 105.4 55.4 -59.3 -43.8 8.5 51.8 -1.6 47 48 A S H X S+ 0 0 26 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.900 111.7 43.8 -53.2 -46.5 11.1 50.1 0.7 48 49 A F H X S+ 0 0 4 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.841 113.1 50.5 -69.1 -39.8 10.4 52.7 3.3 49 50 A L H X S+ 0 0 15 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.901 109.9 52.5 -65.7 -41.5 6.6 52.5 2.9 50 51 A A H X S+ 0 0 59 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.969 111.8 43.3 -58.1 -56.1 6.8 48.8 3.2 51 52 A H H X S+ 0 0 92 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.868 118.1 46.1 -61.2 -38.1 8.7 48.8 6.5 52 53 A E H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.905 109.6 51.7 -72.2 -49.1 6.6 51.6 7.9 53 54 A T H X S+ 0 0 53 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.916 107.7 52.6 -53.7 -45.8 3.2 50.2 6.9 54 55 A K H X S+ 0 0 59 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.889 110.9 48.2 -61.4 -36.3 4.0 46.8 8.5 55 56 A A H X S+ 0 0 31 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.928 111.4 49.8 -68.9 -45.0 4.9 48.6 11.7 56 57 A I H X S+ 0 0 14 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.920 107.6 55.1 -54.2 -49.2 1.7 50.6 11.5 57 58 A F H X S+ 0 0 135 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.929 105.4 51.5 -52.7 -50.5 -0.3 47.5 11.0 58 59 A K H X S+ 0 0 85 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.905 115.7 40.7 -58.7 -44.0 1.0 45.9 14.1 59 60 A V H X S+ 0 0 51 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.882 111.9 55.3 -71.7 -37.1 0.2 48.9 16.3 60 61 A A H X S+ 0 0 8 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.873 105.7 52.3 -67.6 -35.3 -3.2 49.5 14.7 61 62 A I H X S+ 0 0 88 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.982 110.7 47.1 -62.4 -53.4 -4.4 45.9 15.4 62 63 A V H X S+ 0 0 80 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.880 113.7 47.4 -55.4 -44.1 -3.5 46.2 19.1 63 64 A I H X S+ 0 0 26 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.911 110.4 54.2 -66.5 -37.6 -5.2 49.6 19.5 64 65 A A H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.947 108.5 45.9 -64.7 -51.4 -8.3 48.3 17.6 65 66 A I H X S+ 0 0 91 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.955 113.2 52.6 -56.2 -44.4 -8.9 45.3 19.9 66 67 A L H X S+ 0 0 75 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.920 109.7 47.4 -56.0 -47.7 -8.3 47.6 22.9 67 68 A L H X>S+ 0 0 13 -4,-2.9 4,-2.4 1,-0.2 5,-0.7 0.900 112.5 51.0 -59.4 -38.0 -11.0 50.0 21.5 68 69 A M H <5S+ 0 0 63 -4,-2.6 5,-0.2 -5,-0.2 -2,-0.2 0.912 113.9 42.5 -69.9 -42.2 -13.3 47.1 21.0 69 70 A I H <5S+ 0 0 71 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.934 124.4 33.4 -66.4 -48.5 -12.9 45.7 24.5 70 71 A F H <5S+ 0 0 85 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.780 134.8 9.4 -90.4 -26.8 -13.1 49.1 26.4 71 72 A T T <5S- 0 0 7 -4,-2.4 2,-0.3 -5,-0.3 92,-0.2 0.635 112.5 -56.1-111.3 -90.7 -15.5 51.2 24.4 72 73 A T >>< - 0 0 19 -5,-0.7 4,-1.4 90,-0.1 3,-0.5 -0.971 36.0-113.8-156.5 155.7 -17.4 49.5 21.5 73 74 A W H 3> S+ 0 0 124 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.854 114.4 61.1 -60.0 -35.9 -16.7 47.5 18.4 74 75 A Q H 3> S+ 0 0 34 1,-0.2 4,-3.5 2,-0.2 -1,-0.3 0.936 102.3 52.6 -54.8 -47.0 -18.0 50.2 16.2 75 76 A T H <> S+ 0 0 0 -3,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.891 109.1 49.1 -56.3 -43.4 -15.3 52.5 17.6 76 77 A G H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.879 112.5 47.6 -66.2 -38.2 -12.6 50.0 16.8 77 78 A V H X S+ 0 0 53 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.971 111.3 50.7 -66.6 -48.5 -13.9 49.6 13.3 78 79 A A H X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.2 5,-0.2 0.924 108.6 53.2 -54.0 -47.9 -14.1 53.3 12.9 79 80 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.931 110.1 46.7 -50.0 -53.9 -10.4 53.5 14.1 80 81 A L H X S+ 0 0 62 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.850 108.8 55.9 -58.4 -35.5 -9.3 51.0 11.5 81 82 A L H X S+ 0 0 43 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.925 111.0 44.1 -63.5 -46.7 -11.3 52.9 8.7 82 83 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.4 0.871 112.9 50.8 -63.3 -41.3 -9.4 56.0 9.6 83 84 A A H X S+ 0 0 6 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.965 115.2 43.1 -65.0 -45.5 -6.1 54.2 9.8 84 85 A V H X S+ 0 0 83 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.913 113.6 54.5 -62.8 -38.6 -6.8 52.6 6.3 85 86 A M H X S+ 0 0 10 -4,-2.5 4,-1.5 -5,-0.2 51,-0.2 0.905 115.3 34.6 -66.3 -44.1 -8.0 55.9 5.0 86 87 A S H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 3,-0.3 0.973 116.8 54.7 -78.9 -51.3 -5.0 58.0 5.8 87 88 A A H X S+ 0 0 24 -4,-2.2 4,-2.3 -5,-0.4 3,-0.3 0.930 107.3 52.7 -35.4 -58.2 -2.6 55.2 5.2 88 89 A S H X S+ 0 0 39 -4,-3.1 4,-1.9 -5,-0.3 -1,-0.2 0.886 106.6 52.6 -53.1 -45.5 -4.1 54.8 1.7 89 90 A A H X S+ 0 0 1 -4,-1.5 4,-2.8 -3,-0.3 5,-0.2 0.898 109.5 47.8 -57.1 -47.4 -3.7 58.6 0.9 90 91 A G H X S+ 0 0 5 -4,-2.0 4,-2.1 -3,-0.3 -1,-0.2 0.906 110.2 51.8 -63.0 -42.4 -0.0 58.6 1.8 91 92 A I H X S+ 0 0 61 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.860 113.8 45.1 -62.1 -36.2 0.6 55.5 -0.3 92 93 A V H X S+ 0 0 45 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.961 112.2 48.0 -76.7 -49.7 -1.1 57.0 -3.3 93 94 A G H X S+ 0 0 2 -4,-2.8 4,-3.2 1,-0.2 35,-0.2 0.866 113.7 49.5 -56.2 -39.5 0.6 60.5 -3.1 94 95 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.913 108.1 51.2 -66.4 -48.0 4.0 58.9 -2.7 95 96 A K H < S+ 0 0 58 -4,-1.7 4,-0.4 -5,-0.2 -2,-0.2 0.954 116.0 44.1 -53.1 -48.3 3.5 56.5 -5.6 96 97 A M H >X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 3,-1.7 0.955 112.2 51.1 -60.3 -51.5 2.6 59.6 -7.7 97 98 A A H 3X S+ 0 0 5 -4,-3.2 4,-2.0 1,-0.3 -2,-0.2 0.924 106.8 52.8 -54.6 -48.8 5.4 61.8 -6.4 98 99 A T H 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.2 -56,-0.2 0.516 117.8 38.8 -72.9 -4.1 8.1 59.3 -7.1 99 100 A R H <> S+ 0 0 83 -3,-1.7 4,-1.0 -4,-0.4 -1,-0.2 0.664 109.9 57.4-108.7 -30.0 6.9 59.1 -10.7 100 101 A A H X S+ 0 0 6 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.906 93.6 69.3 -68.8 -41.3 6.0 62.7 -11.4 101 102 A N H >X S+ 0 0 4 -4,-2.0 4,-1.9 -5,-0.2 3,-1.4 0.900 100.3 45.8 -40.7 -61.4 9.5 64.0 -10.6 102 103 A V H 3> S+ 0 0 4 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.944 112.8 51.5 -47.6 -51.5 11.1 62.4 -13.8 103 104 A R H 3X S+ 0 0 10 -4,-1.0 4,-0.7 2,-0.2 -1,-0.3 0.565 105.5 55.9 -70.3 -9.1 8.2 63.7 -15.9 104 105 A V H X>S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 3,-1.9 0.880 106.7 58.5 -65.6 -35.7 11.6 65.9 -19.0 107 108 A A H 3<>S+ 0 0 4 -4,-0.7 5,-1.0 1,-0.3 6,-0.7 0.933 97.8 62.0 -51.7 -46.0 8.8 68.5 -19.3 108 109 A A T 3<5S+ 0 0 10 -4,-2.2 -1,-0.3 4,-0.2 -2,-0.2 0.389 125.7 11.3 -64.4 2.7 11.6 71.1 -18.8 109 110 A R T <45S+ 0 0 83 -3,-1.9 -2,-0.2 4,-0.1 -3,-0.1 0.431 126.0 50.5-143.6 -57.8 13.2 69.9 -22.1 110 111 A T T <5S+ 0 0 86 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.971 128.5 29.3 -48.4 -57.9 11.0 67.6 -24.1 111 112 A T T S+ 0 0 36 -2,-0.3 4,-1.5 1,-0.2 3,-0.3 0.777 98.7 60.9 -87.1 -32.4 8.5 75.9 -17.5 115 116 A G H > S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 105.4 47.7 -61.1 -42.8 4.6 76.4 -17.4 116 117 A P H > S+ 0 0 46 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.611 109.3 55.3 -76.5 -11.9 3.8 72.8 -18.8 117 118 A A H > S+ 0 0 13 -3,-0.3 4,-3.0 -4,-0.3 -2,-0.2 0.785 108.0 48.8 -80.3 -37.5 6.3 71.4 -16.3 118 119 A L H X S+ 0 0 17 -4,-1.5 4,-2.9 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173.7 27.7 63.7 35.0 1077 389 B K H > S+ 0 0 73 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.849 104.6 59.5 -72.6 -43.4 26.6 62.2 31.7 1078 390 B P H > S+ 0 0 24 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.901 114.0 37.0 -59.2 -42.4 24.7 64.8 29.9 1079 391 B T H > S+ 0 0 0 -6,-0.4 4,-3.5 -9,-0.4 -5,-0.2 0.874 114.3 56.9 -76.0 -42.2 27.5 67.4 29.7 1080 392 B Q H X S+ 0 0 48 -4,-1.5 4,-2.3 -7,-0.3 -1,-0.2 0.896 109.3 45.7 -48.5 -49.4 30.1 64.7 29.2 1081 393 B F H X S+ 0 0 120 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.941 112.4 50.6 -63.7 -50.7 28.3 63.5 26.2 1082 394 B L H >X S+ 0 0 2 -4,-1.9 3,-1.2 -5,-0.2 4,-0.5 0.971 111.5 49.6 -50.8 -58.6 27.9 67.1 24.9 1083 395 B G H >< S+ 0 0 0 -4,-3.5 3,-1.3 1,-0.3 -1,-0.2 0.845 111.5 47.4 -41.0 -55.5 31.6 67.6 25.5 1084 396 B K H >< S+ 0 0 87 -4,-2.3 3,-1.2 1,-0.3 -1,-0.3 0.693 99.6 66.8 -63.5 -29.9 32.7 64.5 23.6 1085 397 B S H X< S+ 0 0 12 -4,-1.9 3,-2.4 -3,-1.2 4,-0.4 0.615 76.3 90.0 -68.8 -10.7 30.4 65.2 20.7 1086 398 B S G X< S+ 0 0 2 -3,-1.3 3,-1.2 -4,-0.5 -1,-0.2 0.771 73.6 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49.2 -67.8 -30.9 23.2 68.3 21.2 1097 409 B G H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.4 5,-0.2 0.900 112.4 46.3 -75.9 -43.5 23.1 71.3 23.7 1098 410 B L H X S+ 0 0 11 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.951 114.1 49.8 -54.9 -52.2 19.6 72.3 22.6 1099 411 B S H X S+ 0 0 5 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.924 110.6 51.4 -53.9 -43.2 18.6 68.6 22.8 1100 412 B L H X S+ 0 0 15 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.917 112.7 42.8 -61.6 -49.0 20.1 68.4 26.3 1101 413 B G H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.898 110.1 55.7 -71.6 -40.4 18.4 71.4 27.8 1102 414 B M H >< S+ 0 0 10 -4,-2.7 3,-0.7 1,-0.2 4,-0.2 0.932 115.0 40.6 -53.5 -44.9 15.1 70.6 26.2 1103 415 B K H >< S+ 0 0 52 -4,-2.1 3,-1.4 -5,-0.3 -1,-0.2 0.771 104.1 68.4 -72.2 -26.4 15.3 67.2 27.9 1104 416 B S H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.594 83.8 74.6 -75.0 -10.5 16.6 68.7 31.2 1105 417 B V T S+ 0 0 60 -3,-1.4 4,-3.5 -564,-0.2 5,-0.3 0.933 94.9 48.1 -69.8 -52.5 11.6 67.1 32.9 1107 419 B P H > S+ 0 0 15 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.933 115.7 42.5 -61.5 -44.7 13.2 66.1 36.1 1108 420 B P H > S+ 0 0 6 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.945 116.1 49.8 -64.3 -44.4 13.1 69.4 37.8 1109 421 B T H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.940 107.4 53.0 -57.9 -46.7 9.5 70.0 36.6 1110 422 B L H X S+ 0 0 64 -4,-3.5 4,-2.7 1,-0.2 -1,-0.2 0.905 108.2 53.5 -50.8 -40.8 8.4 66.6 37.8 1111 423 B T H X S+ 0 0 17 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.884 109.9 46.0 -61.0 -44.4 9.9 67.7 41.2 1112 424 B L H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.908 111.9 52.2 -62.9 -45.0 7.7 70.9 41.1 1113 425 B V H X S+ 0 0 3 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.953 112.6 43.9 -53.8 -53.2 4.6 68.9 40.1 1114 426 B L H X S+ 0 0 77 -4,-2.7 4,-2.3 -5,-0.2 5,-0.3 0.892 114.2 52.0 -64.4 -36.5 5.1 66.5 43.0 1115 427 B G H X S+ 0 0 2 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.902 110.6 46.3 -65.7 -42.9 5.8 69.4 45.3 1116 428 B I H X S+ 0 0 2 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.966 113.0 49.8 -63.0 -53.2 2.7 71.2 44.3 1117 429 B L H X S+ 0 0 24 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.878 118.3 38.8 -51.1 -47.8 0.5 68.1 44.6 1118 430 B F H X S+ 0 0 101 -4,-2.3 4,-2.0 2,-0.2 3,-0.2 0.917 112.0 55.9 -75.5 -45.2 1.8 67.3 48.1 1119 431 B A H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.3 3,-0.2 0.936 114.2 42.2 -47.6 -48.5 2.0 70.9 49.3 1120 432 B D H X S+ 0 0 46 -4,-2.6 4,-1.5 1,-0.2 -1,-0.3 0.688 106.6 61.6 -76.2 -25.9 -1.7 71.2 48.5 1121 433 B Y H < S+ 0 0 107 -4,-1.0 -77,-0.3 -5,-0.2 -1,-0.2 0.885 111.3 39.7 -67.1 -37.1 -2.5 67.8 49.9 1122 434 B F H < S- 0 0 38 -4,-2.0 -78,-1.6 -3,-0.2 -77,-0.8 0.904 142.1 -3.7 -80.0 -39.8 -1.4 68.9 53.3 1123 435 B A H X S- 0 0 0 -4,-1.8 4,-1.4 1,-0.3 3,-0.4 0.115 89.8-128.4-149.8 21.4 -2.7 72.5 53.5 1124 436 B G H >X - 0 0 10 -4,-1.5 4,-1.2 2,-0.2 3,-0.5 -0.090 68.8 -23.3 60.5-160.5 -4.3 73.5 50.2 1125 437 B L H 3> S+ 0 0 34 1,-0.3 4,-1.8 2,-0.2 3,-0.5 0.862 139.8 56.6 -52.7 -39.0 -3.5 76.6 48.1 1126 438 B Y H 3> S+ 0 0 5 -3,-0.4 4,-2.6 -85,-0.3 -1,-0.3 0.904 104.8 54.8 -58.9 -40.9 -2.2 78.2 51.3 1127 439 B G H < S+ 0 0 0 -4,-2.9 3,-1.5 2,-0.2 4,-0.3 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91.0 41.5 1396 715 B I H >< S+ 0 0 27 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.966 115.8 47.1 -75.5 -54.2 -3.0 94.8 42.0 1397 716 B A H >X S+ 0 0 12 -4,-3.0 4,-2.3 1,-0.3 3,-2.0 0.617 91.1 80.3 -70.9 -7.3 -4.7 96.0 38.8 1398 717 B V H 3X S+ 0 0 1 -4,-1.6 4,-1.4 1,-0.3 -1,-0.3 0.747 77.4 75.7 -74.7 -19.1 -7.5 93.4 39.0 1399 718 B S H <4 S+ 0 0 12 -3,-1.5 -535,-0.6 -4,-0.3 -1,-0.3 0.820 110.9 25.0 -39.6 -41.6 -9.0 95.7 41.5 1400 719 B I H X> S+ 0 0 35 -3,-2.0 4,-2.6 -4,-0.2 3,-0.9 0.860 120.7 49.6-103.2 -53.7 -9.9 97.8 38.4 1401 720 B F H 3X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -89,-0.3 0.583 91.8 75.7 -76.6 -3.9 -10.1 95.6 35.4 1402 721 B K H 3< S+ 0 0 37 -4,-1.4 -1,-0.2 -5,-0.2 -90,-0.2 0.947 120.9 13.6 -60.1 -42.3 -12.4 92.9 36.9 1403 722 B H H <4 S+ 0 0 87 -3,-0.9 -2,-0.2 -5,-0.2 -1,-0.1 0.834 126.8 53.4-101.5 -35.3 -15.2 95.5 36.5 1404 723 B V H < S+ 0 0 88 -4,-2.6 -3,-0.2 -93,-0.0 -2,-0.1 0.476 71.8 127.5 -99.6 -1.6 -14.0 98.2 34.2 1405 724 B H < - 0 0 60 -4,-0.7 -96,-0.2 -5,-0.2 -97,-0.2 -0.032 55.4-127.1 -54.9 157.5 -12.6 96.5 31.0 1406 725 B L 0 0 111 -98,-4.0 -96,-0.2 -95,-0.0 -97,-0.2 0.985 360.0 360.0 -76.5 -71.0 -13.7 97.4 27.4 1407 726 B F 0 0 149 -98,-3.1 -2,-0.0 -99,-0.1 0, 0.0 -0.537 360.0 360.0 -90.9 360.0 -14.8 94.2 25.5