==== 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 4AV6 . COMPND 2 MOLECULE: K(+)-STIMULATED PYROPHOSPHATE-ENERGIZED SODIUM PU . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.KAJANDER,J.KELLOSALO,K.KOGAN,K.POKHAREL,A.GOLDMAN . 1297 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1134 87.4 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 . 4 0.3 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 1 0.1 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 . 30 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 929 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.2 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 0 0 0 2 4 0 1 1 0 2 0 2 0 2 0 0 4 0 0 2 0 4 0 2 4 12 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 . 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 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 5 A A > 0 0 95 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -35.0 26.1 -22.4 14.4 2 6 A L H >> + 0 0 141 1,-0.3 3,-1.1 2,-0.2 4,-1.0 0.917 360.0 51.9 -44.6 -51.6 22.8 -23.9 15.6 3 7 A F H >4 S+ 0 0 65 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.882 104.4 56.5 -55.3 -41.7 21.9 -20.6 17.1 4 8 A F H 34 S+ 0 0 46 -3,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.747 109.0 45.8 -72.6 -17.4 22.7 -18.8 13.8 5 9 A L H S+ 0 0 0 0, 0.0 4,-1.0 0, 0.0 116,-0.2 0.825 101.9 61.2 -65.5 -34.6 16.0 -17.3 13.3 8 12 A L H > S+ 0 0 81 -3,-0.2 4,-1.4 -4,-0.2 3,-0.3 0.862 99.1 55.7 -56.4 -43.1 15.5 -19.1 10.1 9 13 A V H X S+ 0 0 92 -4,-1.0 4,-2.0 -3,-0.4 -1,-0.2 0.913 97.4 61.0 -64.3 -48.3 13.1 -21.6 11.7 10 14 A A H X S+ 0 0 14 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.885 105.7 51.2 -40.9 -46.1 10.7 -19.0 13.1 11 15 A L H X S+ 0 0 31 -4,-1.0 4,-2.4 -3,-0.3 -1,-0.2 0.891 105.3 49.1 -66.4 -43.8 10.1 -17.9 9.4 12 16 A G H X S+ 0 0 52 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.864 114.3 54.4 -58.4 -31.6 9.3 -21.3 7.9 13 17 A F H X S+ 0 0 49 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.3 0.906 102.3 51.8 -68.9 -47.9 7.1 -21.2 10.9 14 18 A A H X S+ 0 0 3 -4,-2.2 4,-1.5 1,-0.2 5,-0.2 0.955 110.7 49.8 -46.5 -53.4 5.4 -17.9 10.1 15 19 A A H X S+ 0 0 47 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.825 111.8 50.0 -64.0 -32.2 4.6 -19.3 6.7 16 20 A A H X S+ 0 0 49 -4,-1.5 4,-2.4 -5,-0.2 5,-0.3 0.952 103.2 54.9 -71.8 -53.5 3.2 -22.4 8.2 17 21 A N H X S+ 0 0 25 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.869 110.6 45.9 -52.0 -41.0 0.8 -20.9 10.8 18 22 A F H X S+ 0 0 45 -4,-1.5 4,-5.1 -5,-0.2 3,-0.3 0.954 111.0 54.1 -61.8 -49.6 -1.1 -18.8 8.2 19 23 A A H X S+ 0 0 46 -4,-1.3 4,-1.7 1,-0.3 -2,-0.2 0.907 106.1 49.0 -53.4 -50.3 -1.3 -21.6 5.8 20 24 A A H < S+ 0 0 82 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.883 123.9 37.3 -58.6 -31.7 -2.9 -24.0 8.2 21 25 A V H >< S+ 0 0 14 -4,-1.2 3,-2.7 -3,-0.3 -2,-0.3 0.895 107.5 58.8 -80.4 -49.5 -5.3 -21.1 9.0 22 26 A V H 3< S+ 0 0 46 -4,-5.1 -3,-0.2 1,-0.3 -2,-0.1 0.870 92.8 68.9 -59.7 -39.4 -5.9 -19.4 5.6 23 27 A R T 3< 0 0 92 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.1 0.522 360.0 360.0 -55.5 -0.6 -7.2 -22.7 4.3 24 28 A K < 0 0 75 -3,-2.7 -1,-0.2 -5,-0.1 71,-0.1 -0.302 360.0 360.0 -70.2 360.0 -10.0 -21.8 6.7 25 ! 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 26 38 A I 0 0 185 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.9 -17.6 -11.1 -0.8 27 39 A S > + 0 0 46 1,-0.1 3,-0.7 2,-0.1 410,-0.0 0.079 360.0 108.9-117.1 20.0 -15.6 -9.4 2.0 28 40 A S T > + 0 0 80 1,-0.2 3,-2.9 2,-0.1 4,-0.3 0.893 46.6 109.2 -60.7 -39.4 -12.3 -9.5 0.3 29 41 A Y T 3> + 0 0 169 1,-0.3 4,-1.4 2,-0.2 3,-0.3 0.469 66.4 61.2 3.5 -49.8 -12.8 -5.7 -0.0 30 42 A I H <> S+ 0 0 16 -3,-0.7 4,-2.4 1,-0.3 -1,-0.3 0.764 92.1 62.2 -69.0 -28.6 -10.0 -5.0 2.5 31 43 A R H <> S+ 0 0 30 -3,-2.9 4,-2.4 1,-0.2 -1,-0.3 0.959 102.0 53.1 -70.6 -49.5 -7.2 -6.5 0.7 32 44 A S H > S+ 0 0 76 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.948 105.5 54.2 -51.0 -44.2 -7.7 -4.1 -2.1 33 45 A G H X S+ 0 0 4 -4,-1.4 4,-1.8 1,-0.2 5,-0.3 0.951 108.1 50.7 -52.5 -49.0 -7.5 -1.2 0.4 34 46 A A H X S+ 0 0 12 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.914 105.9 53.0 -57.7 -50.0 -4.2 -2.5 1.6 35 47 A D H X S+ 0 0 86 -4,-2.4 4,-4.1 1,-0.2 -1,-0.2 0.928 107.4 52.7 -57.1 -46.2 -2.5 -2.8 -1.8 36 48 A S H X S+ 0 0 23 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.926 113.3 40.5 -52.7 -47.3 -3.4 0.7 -2.7 37 49 A F H X S+ 0 0 6 -4,-1.8 4,-4.0 1,-0.2 5,-0.2 0.961 117.3 50.4 -70.6 -39.0 -1.9 2.4 0.3 38 50 A L H X S+ 0 0 39 -4,-2.9 4,-4.4 -5,-0.3 5,-0.3 0.923 108.7 52.8 -68.0 -35.0 1.0 0.0 0.2 39 51 A A H X S+ 0 0 45 -4,-4.1 4,-2.7 -5,-0.3 -1,-0.2 0.981 114.7 39.6 -61.5 -56.1 1.6 0.8 -3.4 40 52 A H H X S+ 0 0 54 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.934 119.2 49.0 -62.7 -35.5 1.7 4.4 -2.9 41 53 A E H X S+ 0 0 4 -4,-4.0 4,-3.0 -5,-0.3 -1,-0.2 0.942 107.6 51.9 -71.0 -47.2 3.6 4.0 0.3 42 54 A T H X S+ 0 0 50 -4,-4.4 4,-4.8 1,-0.2 -1,-0.3 0.928 106.1 56.2 -56.4 -43.5 6.2 1.7 -1.0 43 55 A K H X S+ 0 0 128 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.930 110.8 42.4 -59.0 -37.7 7.0 4.1 -3.9 44 56 A A H X S+ 0 0 14 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.970 115.5 51.0 -73.1 -41.8 7.8 6.9 -1.5 45 57 A I H X S+ 0 0 27 -4,-3.0 4,-3.7 2,-0.2 5,-0.3 0.948 108.6 52.6 -53.0 -49.5 9.6 4.5 0.6 46 58 A F H X S+ 0 0 131 -4,-4.8 4,-1.8 1,-0.2 5,-0.4 0.959 109.7 47.9 -51.5 -51.9 11.5 3.4 -2.4 47 59 A K H X S+ 0 0 139 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.842 119.0 39.9 -56.7 -46.2 12.5 6.8 -3.3 48 60 A V H X S+ 0 0 48 -4,-3.0 4,-3.0 -5,-0.2 5,-0.3 0.951 109.0 54.9 -74.1 -41.1 13.6 7.5 0.2 49 61 A A H X S+ 0 0 15 -4,-3.7 4,-2.7 1,-0.2 5,-0.2 0.924 107.8 48.4 -67.0 -35.2 15.4 4.4 1.3 50 62 A I H X S+ 0 0 85 -4,-1.8 4,-2.9 -5,-0.3 -1,-0.2 0.953 113.8 49.4 -63.0 -53.2 17.8 4.3 -1.5 51 63 A V H X S+ 0 0 71 -4,-1.2 4,-3.0 -5,-0.4 -1,-0.2 0.926 109.4 48.7 -55.0 -42.2 18.6 7.9 -0.9 52 64 A I H X S+ 0 0 44 -4,-3.0 4,-3.3 1,-0.2 5,-0.2 0.938 111.5 54.0 -67.1 -32.9 19.2 7.5 2.8 53 65 A A H X S+ 0 0 6 -4,-2.7 4,-3.0 -5,-0.3 5,-0.3 0.969 107.4 46.1 -66.1 -53.0 21.3 4.6 2.0 54 66 A I H X S+ 0 0 86 -4,-2.9 4,-3.5 1,-0.2 5,-0.3 0.940 112.6 54.5 -56.6 -41.2 23.5 6.5 -0.4 55 67 A L H X S+ 0 0 66 -4,-3.0 4,-3.4 2,-0.2 5,-0.4 0.962 109.5 44.1 -54.3 -52.5 23.7 9.2 2.2 56 68 A L H X S+ 0 0 18 -4,-3.3 4,-4.0 1,-0.2 6,-0.3 0.936 114.1 52.3 -59.3 -36.1 24.9 7.0 4.9 57 69 A M H <>S+ 0 0 63 -4,-3.0 5,-1.1 1,-0.2 -1,-0.2 0.886 113.8 42.2 -70.6 -42.7 27.3 5.4 2.5 58 70 A I H <5S+ 0 0 73 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.961 125.6 32.9 -63.8 -50.2 28.8 8.7 1.4 59 71 A F H <5S+ 0 0 96 -4,-3.4 -2,-0.2 -5,-0.3 92,-0.2 0.793 129.5 15.1 -89.2 -26.3 28.9 10.2 4.9 60 72 A T T <5S- 0 0 10 -4,-4.0 88,-0.4 -5,-0.4 89,-0.2 0.647 114.3 -51.1-109.6 -92.1 29.6 7.4 7.3 61 73 A T T > 5 - 0 0 7 -5,-0.1 2,-2.8 86,-0.1 3,-1.9 -0.361 40.1-133.2-154.5 76.1 30.8 4.0 6.2 62 74 A W T 3> S+ 0 0 19 -2,-2.8 4,-2.5 1,-0.2 -1,-0.3 0.974 102.5 45.6 -55.1 -46.2 29.1 -1.1 5.5 64 76 A T H <> S+ 0 0 0 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.800 108.6 54.5 -61.2 -40.4 26.5 0.7 7.5 65 77 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 109.9 47.0 -65.6 -38.7 24.5 1.8 4.5 66 78 A V H X S+ 0 0 66 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.963 111.7 49.7 -66.4 -49.5 24.2 -1.7 3.2 67 79 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.887 107.9 56.9 -53.0 -42.1 23.2 -2.9 6.6 68 80 A F H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.925 106.8 46.7 -55.1 -50.9 20.7 -0.1 6.6 69 81 A L H X S+ 0 0 49 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.837 106.0 59.9 -59.2 -33.1 19.2 -1.4 3.3 70 82 A L H X S+ 0 0 28 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.934 107.9 46.2 -61.9 -44.4 19.2 -4.9 4.9 71 83 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.873 110.9 51.7 -66.9 -36.8 16.9 -3.4 7.5 72 84 A A H X S+ 0 0 15 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.964 114.4 41.1 -66.1 -47.1 14.7 -1.6 5.0 73 85 A V H X S+ 0 0 92 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.923 117.1 53.0 -62.1 -39.9 14.1 -4.8 2.9 74 86 A M H X S+ 0 0 15 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.913 114.2 37.1 -64.8 -46.0 13.7 -6.7 6.2 75 87 A S H X S+ 0 0 13 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.957 115.1 52.0 -79.1 -50.2 11.2 -4.6 7.8 76 88 A A H X S+ 0 0 26 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.966 115.2 45.7 -39.0 -60.6 9.1 -3.7 4.8 77 89 A S H X S+ 0 0 41 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.893 110.1 51.1 -54.4 -48.2 9.0 -7.5 4.1 78 90 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.937 113.6 46.6 -54.7 -48.3 8.1 -8.6 7.6 79 91 A G H X S+ 0 0 21 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.882 108.9 54.6 -64.2 -41.6 5.3 -6.1 7.7 80 92 A I H X S+ 0 0 71 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.897 110.8 44.8 -60.3 -38.6 4.1 -7.1 4.3 81 93 A V H X S+ 0 0 49 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.956 110.7 52.2 -73.5 -50.4 3.8 -10.8 5.2 82 94 A G H X S+ 0 0 0 -4,-2.5 4,-2.9 31,-0.2 31,-0.4 0.839 109.0 55.6 -55.6 -32.6 2.1 -10.1 8.5 83 95 A M H X S+ 0 0 15 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.938 101.0 52.9 -68.5 -46.3 -0.3 -8.0 6.5 84 96 A K H < S+ 0 0 91 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.972 116.5 43.1 -54.4 -48.6 -1.3 -10.8 4.1 85 97 A M H >X>S+ 0 0 1 -4,-2.5 3,-3.1 2,-0.2 4,-2.8 0.962 110.2 51.7 -57.8 -53.9 -2.1 -12.8 7.2 86 98 A A H 3X5S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.926 112.3 50.1 -50.1 -46.1 -3.8 -10.1 9.2 87 99 A T H 3<5S+ 0 0 15 -4,-2.7 4,-0.4 1,-0.2 -1,-0.3 0.506 114.7 43.1 -75.7 -2.3 -6.0 -9.5 6.2 88 100 A R H <>5S+ 0 0 103 -3,-3.1 4,-1.9 -4,-0.4 -2,-0.2 0.737 112.5 47.1-107.9 -34.4 -6.9 -13.3 5.8 89 101 A A H X5S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.951 107.9 63.5 -67.1 -43.4 -7.6 -14.4 9.3 90 102 A N H >X> S+ 0 0 45 -4,-0.4 4,-1.0 1,-0.2 3,-0.5 0.932 115.3 56.7 -55.4 -48.3 -12.1 -12.5 6.7 92 104 A R H 3X S+ 0 0 12 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.491 96.3 67.6 -69.3 -9.9 -11.9 -16.0 8.1 93 105 A V H X S+ 0 0 117 -4,-1.0 4,-0.9 1,-0.2 3,-0.6 0.775 110.5 49.5 -74.9 -24.9 -16.8 -17.4 9.5 96 108 A A H 3X S+ 0 0 25 -4,-0.8 4,-1.5 -3,-0.4 -1,-0.2 0.911 109.2 58.9 -63.5 -45.0 -15.1 -18.8 12.7 97 109 A A H 3< S+ 0 0 19 -4,-3.5 -2,-0.2 2,-0.2 -1,-0.2 0.418 102.5 50.6 -61.5 -4.0 -17.7 -16.5 14.4 98 110 A R H X4 S+ 0 0 171 -3,-0.6 3,-0.6 -5,-0.2 -1,-0.2 0.884 108.5 44.4-100.1 -51.9 -20.7 -18.2 12.9 99 111 A T H 3< S+ 0 0 115 -4,-0.9 2,-0.7 1,-0.3 -2,-0.2 0.781 104.1 70.9 -59.2 -38.0 -20.2 -22.0 13.6 100 112 A T T 3< 0 0 67 -4,-1.5 -1,-0.3 -5,-0.2 -4,-0.1 -0.199 360.0 360.0 -78.0 46.5 -19.2 -20.8 17.0 101 113 A K < 0 0 198 -2,-0.7 -2,-0.1 -3,-0.6 -3,-0.1 -0.257 360.0 360.0 97.1 360.0 -22.9 -19.9 17.8 102 ! 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 0.0 103 119 A L > 0 0 62 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -51.0 -11.2 -16.9 17.6 104 120 A K H > + 0 0 119 2,-0.1 4,-2.0 3,-0.1 5,-0.2 0.784 360.0 53.6 -81.8 -31.0 -8.5 -19.4 16.5 105 121 A V H > S+ 0 0 9 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.963 105.3 48.1 -66.6 -59.4 -8.7 -17.3 13.3 106 122 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.939 117.1 42.2 -52.4 -55.9 -8.2 -13.8 14.8 107 123 A Y H X S+ 0 0 20 -4,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.855 112.2 52.5 -62.9 -38.1 -5.2 -14.9 16.9 108 124 A Q H X S+ 0 0 25 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.938 111.4 48.2 -65.1 -37.3 -3.5 -17.0 14.3 109 125 A G H >X S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-0.9 0.973 112.3 47.4 -65.1 -52.1 -3.7 -14.2 11.8 110 126 A G H >X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.3 3,-0.5 0.902 108.6 58.3 -51.3 -40.9 -2.3 -11.8 14.3 111 127 A S H 3X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.729 93.5 66.3 -64.9 -21.9 0.4 -14.4 15.0 112 128 A V H S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 5,-1.2 0.884 113.5 48.9 -58.4 -39.7 24.7 -7.9 9.8 129 145 A Y H <>S+ 0 0 7 -4,-2.7 5,-1.4 3,-0.2 4,-0.4 0.931 120.0 33.6 -63.8 -50.8 26.6 -9.8 12.6 130 146 A L H <>S+ 0 0 67 -4,-2.9 5,-3.1 3,-0.2 4,-0.3 0.926 125.7 39.5 -69.4 -49.1 28.3 -12.3 10.3 131 147 A I H <5S+ 0 0 73 -4,-2.9 5,-0.5 -5,-0.3 -3,-0.2 0.671 136.0 17.1 -80.2 -22.4 28.8 -10.2 7.2 132 148 A F T <5S+ 0 0 17 -4,-1.3 6,-1.3 -5,-0.5 -3,-0.2 0.664 130.0 44.2-119.6 -37.5 29.8 -7.0 9.0 133 149 A G T + 0 0 8 -3,-0.7 4,-4.8 1,-0.1 5,-0.3 0.745 60.7 143.1 65.5 26.9 36.2 -7.7 11.3 138 154 A Q H > S+ 0 0 4 -6,-1.3 18,-0.7 2,-0.3 4,-0.7 0.787 81.5 44.1 -71.7 -24.3 34.4 -4.8 12.9 139 155 A V H 4 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-45.5 11.7 36.9 26.3 990 373 B G H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.893 112.1 48.4 -59.1 -48.1 8.9 37.4 28.8 991 374 B I H X S+ 0 0 19 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.908 110.2 51.1 -64.1 -45.2 7.2 40.0 26.6 992 375 B L H X S+ 0 0 75 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.954 108.9 52.5 -56.7 -47.6 7.4 37.8 23.6 993 376 B I H X S+ 0 0 3 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.864 107.2 52.1 -59.4 -33.2 5.9 35.0 25.7 994 377 B G H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 3,-0.4 0.971 110.4 48.2 -62.4 -53.5 3.1 37.3 26.6 995 378 B F H X S+ 0 0 65 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.868 109.4 52.5 -50.2 -44.1 2.5 38.1 22.9 996 379 B W H X S+ 0 0 83 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.874 109.3 50.9 -64.4 -31.2 2.6 34.4 22.1 997 380 B A H X S+ 0 0 3 -4,-1.7 4,-0.9 -3,-0.4 -2,-0.2 0.923 110.8 46.7 -76.7 -40.6 -0.0 33.8 24.8 998 381 B E H >X S+ 0 0 28 -4,-2.6 4,-2.3 2,-0.2 3,-1.2 0.946 110.9 54.9 -59.1 -48.6 -2.3 36.5 23.4 999 382 B Y H 3< S+ 0 0 92 -4,-2.8 7,-0.5 1,-0.3 -2,-0.2 0.915 113.0 40.5 -54.4 -45.9 -1.7 35.0 20.0 1000 383 B Y H 3< S+ 0 0 36 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.540 120.3 41.8 -81.8 -5.7 -2.9 31.6 21.1 1001 384 B T H << S+ 0 0 0 -3,-1.2 2,-0.6 -4,-0.9 244,-0.3 0.685 93.5 82.0-119.7 -22.3 -5.8 32.7 23.2 1002 385 B S >< - 0 0 9 -4,-2.3 3,-1.4 -5,-0.2 6,-0.4 -0.763 67.9-138.2 -94.2 122.5 -7.6 35.4 21.4 1003 386 B Y T 3 S+ 0 0 68 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.524 90.7 75.0 -57.6 154.9 -10.1 34.8 18.6 1004 387 B R T 3 S+ 0 0 120 1,-0.4 -1,-0.2 -2,-0.1 -5,-0.1 -0.185 102.1 35.7 108.1 -39.2 -8.9 37.6 16.3 1005 388 B Y S < S- 0 0 42 -3,-1.4 -1,-0.4 -6,-0.2 -5,-0.1 0.279 111.2 -61.9-110.3-110.4 -5.8 35.7 15.1 1006 389 B K S > S+ 0 0 122 -7,-0.5 4,-2.0 3,-0.1 5,-0.4 0.858 105.6 57.7-118.3 -46.8 -5.4 32.0 14.6 1007 390 B P H > S+ 0 0 7 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.968 115.9 32.9 -62.6 -46.6 -5.8 29.5 17.3 1008 391 B T H > S+ 0 0 0 -6,-0.4 4,-3.2 1,-0.2 -5,-0.2 0.852 114.5 57.0 -77.7 -42.9 -9.3 30.3 18.4 1009 392 B Q H > S+ 0 0 50 -7,-0.3 4,-2.7 2,-0.2 5,-0.3 0.933 111.1 42.9 -53.0 -49.0 -10.7 31.3 15.0 1010 393 B F H X S+ 0 0 106 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.967 118.0 45.8 -63.1 -51.9 -9.9 28.1 13.3 1011 394 B L H X S+ 0 0 1 -4,-2.1 4,-0.6 -5,-0.4 3,-0.2 0.974 113.8 51.0 -50.8 -57.9 -11.1 26.0 16.3 1012 395 B G H >< S+ 0 0 0 -4,-3.2 3,-1.4 1,-0.3 4,-0.4 0.864 110.2 45.9 -43.8 -56.5 -14.2 28.2 16.5 1013 396 B K H >< S+ 0 0 93 -4,-2.7 3,-1.6 1,-0.3 -1,-0.3 0.865 106.6 59.8 -62.8 -32.8 -15.2 27.9 12.9 1014 397 B S H >< S+ 0 0 6 -4,-2.3 3,-2.9 1,-0.3 4,-0.4 0.678 82.0 86.8 -69.9 -7.8 -14.5 24.2 13.2 1015 398 B S G X< S+ 0 0 0 -3,-1.4 3,-1.2 -4,-0.6 4,-0.3 0.864 79.7 63.9 -48.4 -39.0 -17.2 24.3 15.9 1016 399 B I G < S+ 0 0 87 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.544 93.1 64.8 -68.3 -8.8 -19.6 23.8 13.0 1017 400 B E G < S- 0 0 91 -3,-2.9 -1,-0.2 -4,-0.1 -2,-0.2 0.603 118.3 -67.3 -99.2 -10.0 -18.1 20.4 12.3 1018 401 B G X - 0 0 27 -3,-1.2 3,-2.0 -4,-0.4 2,-0.9 0.475 48.9 -91.6 125.9 98.8 -19.0 18.4 15.4 1019 402 B T T 3> S+ 0 0 2 244,-0.4 4,-1.8 -4,-0.3 5,-0.1 0.426 119.2 70.7 4.7 -42.1 -17.8 18.7 19.1 1020 403 B G H 3> S+ 0 0 18 -2,-0.9 4,-2.8 1,-0.2 -1,-0.3 0.940 95.4 50.1 -52.8 -52.4 -15.1 16.2 18.3 1021 404 B M H <> S+ 0 0 29 -3,-2.0 4,-2.6 1,-0.2 5,-0.4 0.877 105.0 56.2 -58.8 -42.0 -13.2 18.7 16.1 1022 405 B V H > S+ 0 0 0 -8,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.926 113.5 43.2 -58.6 -42.9 -13.3 21.4 18.8 1023 406 B I H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.962 117.0 41.8 -66.5 -55.8 -11.6 19.0 21.2 1024 407 B S H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.885 119.0 46.2 -59.6 -42.6 -9.0 17.5 18.9 1025 408 B N H X S+ 0 0 11 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.732 108.6 55.5 -68.5 -30.3 -8.1 20.8 17.4 1026 409 B G H X S+ 0 0 0 -4,-1.3 4,-2.6 -5,-0.4 -2,-0.2 0.897 109.6 47.9 -72.1 -42.9 -8.0 22.5 20.8 1027 410 B L H X S+ 0 0 21 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.961 112.7 47.1 -54.8 -54.1 -5.5 19.9 21.8 1028 411 B S H X S+ 0 0 9 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.917 112.7 52.5 -53.4 -43.3 -3.4 20.4 18.6 1029 412 B L H X S+ 0 0 15 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.937 112.9 40.3 -62.5 -49.6 -3.6 24.1 19.2 1030 413 B G H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.929 116.0 51.5 -70.8 -40.8 -2.4 24.1 22.7 1031 414 B M H < S+ 0 0 14 -4,-2.8 4,-0.3 1,-0.2 3,-0.2 0.854 116.3 38.7 -57.0 -42.8 0.3 21.5 22.0 1032 415 B K H >< S+ 0 0 50 -4,-2.5 3,-1.3 -5,-0.3 -1,-0.2 0.794 111.1 61.4 -76.0 -26.9 1.8 23.3 19.0 1033 416 B S H 3< S+ 0 0 0 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.697 91.4 70.5 -76.5 -14.0 1.2 26.6 20.9 1034 417 B V T 3X S+ 0 0 0 -4,-0.8 4,-1.5 -3,-0.2 -1,-0.3 0.733 86.7 65.8 -70.3 -26.1 3.6 25.2 23.5 1035 418 B F H <> S+ 0 0 52 -3,-1.3 4,-4.0 -4,-0.3 5,-0.2 0.943 93.5 52.7 -70.8 -51.6 6.7 25.5 21.3 1036 419 B P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.896 110.6 45.7 -61.5 -44.2 7.1 29.3 20.8 1037 420 B P H > S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.961 117.1 46.3 -64.1 -43.9 7.0 30.3 24.4 1038 421 B T H X S+ 0 0 3 -4,-1.5 4,-3.6 1,-0.2 6,-0.2 0.923 111.8 51.6 -57.4 -46.9 9.4 27.5 25.2 1039 422 B L H X S+ 0 0 59 -4,-4.0 4,-3.3 2,-0.2 5,-0.4 0.904 107.2 52.6 -54.8 -39.9 11.6 28.5 22.2 1040 423 B T H X S+ 0 0 13 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.943 112.8 45.8 -62.7 -42.7 11.7 32.0 23.5 1041 424 B L H X S+ 0 0 5 -4,-2.2 4,-4.3 2,-0.2 5,-0.3 0.914 111.2 50.9 -65.3 -43.7 12.8 30.6 26.7 1042 425 B V H X S+ 0 0 6 -4,-3.6 4,-1.8 2,-0.2 -2,-0.2 0.978 120.8 34.7 -57.0 -55.6 15.4 28.3 25.1 1043 426 B L H X S+ 0 0 102 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.875 120.2 55.1 -64.3 -35.4 16.8 31.2 23.1 1044 427 B G H X S+ 0 0 2 -4,-3.0 4,-2.5 -5,-0.4 -2,-0.2 0.883 104.9 49.5 -65.5 -44.0 16.0 33.4 26.1 1045 428 B I H X S+ 0 0 0 -4,-4.3 4,-4.1 1,-0.2 5,-0.3 0.966 107.7 54.1 -60.1 -51.6 18.0 31.3 28.6 1046 429 B L H X S+ 0 0 31 -4,-1.8 4,-2.9 -5,-0.3 -1,-0.2 0.886 115.1 38.7 -52.2 -46.5 21.1 31.1 26.5 1047 430 B F H X S+ 0 0 102 -4,-1.6 4,-1.6 2,-0.3 -1,-0.2 0.935 115.4 50.8 -76.8 -44.7 21.3 34.9 26.2 1048 431 B A H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.972 120.8 40.1 -47.6 -52.2 20.2 35.6 29.8 1049 432 B D H >< S+ 0 0 46 -4,-4.1 3,-0.8 -5,-0.2 -2,-0.3 0.747 107.3 58.0 -71.7 -30.2 23.0 33.1 30.6 1050 433 B Y H 3< S+ 0 0 166 -4,-2.9 2,-0.2 -5,-0.3 -1,-0.2 0.891 103.0 54.4 -69.8 -35.4 25.8 34.0 28.2 1051 434 B F T 3< S+ 0 0 91 -4,-1.6 2,-0.2 -5,-0.2 -69,-0.2 -0.051 121.6 4.6 -87.6 32.2 26.1 37.6 29.4 1052 435 B A S < S- 0 0 28 -3,-0.8 5,-0.1 -2,-0.2 0, 0.0 -0.876 87.7 -79.7 161.5 159.2 26.5 36.8 33.2 1053 436 B G >> - 0 0 49 -2,-0.2 3,-1.1 3,-0.1 4,-0.9 0.148 69.4 -68.1 -70.4-161.6 26.9 33.9 35.5 1054 437 B L H >> S+ 0 0 58 1,-0.3 4,-1.7 2,-0.2 3,-0.8 0.868 136.2 64.0 -53.6 -38.3 24.2 31.7 36.8 1055 438 B Y H 3> S+ 0 0 23 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.849 92.0 60.6 -55.7 -41.3 23.1 34.8 38.7 1056 439 B G H <> S+ 0 0 0 -3,-1.1 4,-1.5 1,-0.2 -1,-0.3 0.858 102.8 53.2 -60.3 -32.0 22.4 36.6 35.4 1057 440 B V H < S+ 0 0 0 -4,-1.8 3,-1.3 2,-0.3 4,-0.4 0.935 104.9 54.5 -57.6 -48.1 13.4 40.6 34.0 1064 447 B M H 3< S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.3 -1,-0.3 0.925 123.7 29.9 -47.8 -45.0 10.7 38.4 32.7 1065 448 B L H >< S+ 0 0 3 -4,-1.9 3,-1.8 -5,-0.2 -2,-0.3 0.317 86.6 111.1 -98.1 7.7 8.8 39.4 35.8 1066 449 B S T << S+ 0 0 4 -3,-1.3 -140,-0.2 -4,-0.5 3,-0.2 0.700 85.1 43.7 -58.9 -18.0 10.4 42.9 36.3 1067 450 B F T >> S+ 0 0 1 -4,-0.4 4,-1.8 -3,-0.3 3,-0.8 -0.191 71.8 139.5-118.7 41.2 7.0 44.5 35.4 1068 451 B V H <> + 0 0 8 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.747 62.6 65.8 -56.1 -32.2 4.8 42.2 37.5 1069 452 B A H 3> S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 108.0 38.6 -58.5 -46.2 2.6 45.0 38.7 1070 453 B T H <> S+ 0 0 0 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.890 114.4 53.7 -73.8 -38.3 1.2 45.6 35.2 1071 454 B S H X S+ 0 0 5 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.959 114.2 42.8 -56.7 -50.5 1.1 41.9 34.3 1072 455 B V H X S+ 0 0 2 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.880 112.5 53.0 -66.2 -40.2 -1.0 41.2 37.4 1073 456 B S H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.961 112.2 44.8 -52.6 -54.1 -3.1 44.3 36.9 1074 457 B V H X S+ 0 0 1 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.862 113.5 52.3 -62.4 -34.9 -3.9 43.2 33.4 1075 458 B D H >< S+ 0 0 5 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.2 0.905 108.2 47.5 -65.6 -45.2 -4.5 39.7 34.6 1076 459 B S H 3X S+ 0 0 1 -4,-2.7 4,-1.5 1,-0.3 5,-0.2 0.737 100.5 71.9 -74.9 -19.0 -7.0 40.7 37.4 1077 460 B Y H 3X S+ 0 0 2 -4,-1.5 4,-3.7 -5,-0.3 5,-0.4 0.884 89.0 63.2 -58.3 -36.1 -8.6 42.7 34.7 1078 461 B G H S+ 0 0 1 0, 0.0 4,-4.4 0, 0.0 5,-0.3 0.852 121.9 54.7 -66.6 -31.4 -12.2 38.0 35.6 1080 463 B I H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.950 116.8 35.5 -64.8 -47.2 -13.0 41.4 36.9 1081 464 B A H X S+ 0 0 0 -4,-3.7 4,-1.7 -5,-0.2 18,-0.4 0.928 118.8 56.0 -66.4 -44.2 -14.0 42.5 33.4 1082 465 B D H X S+ 0 0 14 -4,-4.0 4,-1.9 16,-0.5 -2,-0.2 0.872 105.7 47.4 -53.0 -50.3 -15.3 38.9 33.0 1083 466 B N H X S+ 0 0 0 -4,-4.4 4,-2.7 1,-0.2 -1,-0.2 0.935 104.6 61.4 -60.8 -46.7 -17.6 39.2 36.0 1084 467 B A H X S+ 0 0 0 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.895 105.5 51.0 -45.7 -43.9 -18.8 42.5 34.7 1085 468 B G H >X S+ 0 0 3 -4,-1.7 4,-1.0 10,-0.4 3,-0.9 0.987 107.9 47.0 -57.2 -62.0 -19.9 40.5 31.8 1086 469 B G H 3< 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