==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-NOV-10 3PH7 . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR A.K.WERNIMONT,J.DUNFORD,J.LEW,Y.ZHAO,I.KOZIERADZKI,D.COSSAR, . 1375 22 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1049 76.3 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 . 12 0.9 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 . 4 0.3 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 . 31 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 847 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.3 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 9 1 1 1 0 3 3 9 5 9 0 0 0 1 1 4 1 2 0 1 8 2 1 0 3 1 0 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 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 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 35 A A > 0 0 102 0, 0.0 3,-1.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 0.4 15.6 1.8 28.6 2 36 A F T >> + 0 0 84 1,-0.3 3,-1.1 2,-0.1 4,-0.8 0.295 360.0 111.8 -60.0 3.3 14.0 -1.1 26.4 3 37 A F H 3> + 0 0 4 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.787 64.3 59.8 -51.6 -36.8 16.2 0.8 23.8 4 38 A R H <4 S+ 0 0 110 -3,-1.2 3,-0.4 1,-0.2 4,-0.3 0.797 103.3 51.0 -68.6 -29.1 18.6 -2.2 23.5 5 39 A N H <4 S+ 0 0 133 -3,-1.1 4,-0.3 1,-0.2 3,-0.2 0.700 104.3 59.1 -77.8 -23.5 15.7 -4.5 22.3 6 40 A M H >X S+ 0 0 32 -4,-0.8 4,-1.4 -3,-0.4 3,-0.8 0.642 79.3 90.4 -81.4 -16.2 14.7 -1.9 19.7 7 41 A Y H 3X S+ 0 0 7 -4,-0.6 4,-2.6 -3,-0.4 3,-0.4 0.880 85.0 50.2 -43.4 -60.0 18.1 -2.0 17.8 8 42 A D H 3> S+ 0 0 71 -4,-0.3 4,-2.9 -3,-0.2 -1,-0.2 0.746 105.7 57.5 -52.3 -37.2 17.1 -4.9 15.4 9 43 A K H <> S+ 0 0 53 -3,-0.8 4,-2.4 -4,-0.3 -1,-0.2 0.934 112.2 39.5 -64.7 -48.3 13.9 -3.2 14.4 10 44 A Y H X S+ 0 0 2 -4,-1.4 4,-1.9 -3,-0.4 -2,-0.2 0.893 117.2 50.9 -68.9 -39.0 15.7 0.0 13.2 11 45 A R H X S+ 0 0 18 -4,-2.6 4,-2.6 -5,-0.2 3,-0.3 0.966 115.4 41.1 -61.4 -53.2 18.5 -2.0 11.7 12 46 A D H X S+ 0 0 76 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.829 109.5 60.2 -64.9 -34.8 16.1 -4.3 9.7 13 47 A A H X S+ 0 0 23 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.894 112.6 38.9 -56.9 -43.5 13.9 -1.2 8.8 14 48 A F H >X S+ 0 0 0 -4,-1.9 4,-1.4 -3,-0.3 3,-0.6 0.934 115.2 51.0 -74.0 -47.8 16.9 0.3 7.0 15 49 A L H 3X S+ 0 0 21 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.878 106.8 56.5 -56.8 -38.2 18.1 -3.0 5.5 16 50 A S H 3X S+ 0 0 71 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.849 102.4 55.7 -60.5 -38.1 14.6 -3.6 4.2 17 51 A H H X< S+ 0 0 35 -4,-1.0 3,-1.0 -3,-0.6 -1,-0.2 0.922 109.5 44.7 -60.4 -47.0 14.8 -0.2 2.3 18 52 A L H >< S+ 0 0 3 -4,-1.4 3,-1.5 1,-0.2 -2,-0.2 0.825 106.6 62.4 -64.8 -34.2 18.1 -1.4 0.5 19 53 A N H 3< S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.643 92.9 63.7 -66.6 -18.2 16.3 -4.7 -0.2 20 54 A E T << S+ 0 0 96 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.516 80.3 113.8 -82.4 -9.3 13.7 -2.9 -2.2 21 55 A Y S < S- 0 0 9 -3,-1.5 2,-1.8 -4,-0.2 7,-0.1 -0.288 83.9-104.5 -64.6 149.2 16.4 -1.9 -4.8 22 56 A S S S+ 0 0 92 533,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.575 73.3 132.2 -78.9 84.2 16.2 -3.3 -8.3 23 57 A L - 0 0 16 -2,-1.8 529,-0.1 -4,-0.2 5,-0.1 -0.970 65.8 -89.7-135.2 152.5 19.0 -5.8 -7.9 24 58 A E >> - 0 0 80 -2,-0.3 4,-1.9 527,-0.1 3,-1.0 -0.341 43.9-115.1 -61.4 137.4 19.5 -9.5 -8.8 25 59 A E H 3> S+ 0 0 111 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.765 115.0 52.5 -46.7 -39.1 18.4 -11.7 -5.8 26 60 A E H 3> S+ 0 0 101 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.858 108.5 50.5 -67.9 -38.4 22.0 -13.1 -5.2 27 61 A I H <> S+ 0 0 2 -3,-1.0 4,-2.3 1,-0.2 -2,-0.2 0.927 108.0 54.3 -64.2 -44.0 23.4 -9.5 -5.1 28 62 A K H X S+ 0 0 41 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.831 106.9 50.9 -55.8 -41.4 20.6 -8.5 -2.5 29 63 A E H X S+ 0 0 111 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.870 110.8 47.7 -67.8 -40.3 21.7 -11.4 -0.2 30 64 A H H X S+ 0 0 18 -4,-1.5 4,-2.5 -3,-0.2 -2,-0.2 0.899 112.6 50.0 -65.4 -44.6 25.4 -10.4 -0.3 31 65 A I H X S+ 0 0 6 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.915 111.6 47.2 -58.6 -50.2 24.4 -6.7 0.5 32 66 A S H X S+ 0 0 49 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.869 112.6 50.2 -64.2 -36.1 22.2 -7.8 3.5 33 67 A K H X S+ 0 0 57 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.931 115.9 42.5 -65.7 -45.6 25.0 -10.0 4.8 34 68 A Y H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.947 117.5 43.6 -65.9 -53.2 27.6 -7.2 4.5 35 69 A Y H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.799 107.9 58.0 -72.2 -23.7 25.4 -4.3 5.9 36 70 A K H X S+ 0 0 91 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.933 111.5 44.0 -67.3 -42.8 24.0 -6.4 8.8 37 71 A L H X S+ 0 0 41 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.896 109.3 56.9 -68.0 -38.5 27.6 -6.9 10.0 38 72 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.940 114.4 38.7 -56.8 -49.6 28.5 -3.2 9.3 39 73 A F H X S+ 0 0 1 -4,-2.2 4,-3.3 2,-0.2 5,-0.4 0.974 119.2 46.4 -62.3 -57.2 25.7 -2.1 11.7 40 74 A D H X S+ 0 0 32 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.874 113.4 47.4 -54.5 -49.7 26.1 -4.8 14.3 41 75 A Y H < S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.811 124.9 29.4 -64.5 -35.1 29.9 -4.6 14.6 42 76 A N H < S+ 0 0 3 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.687 120.7 47.3-106.6 -18.9 29.9 -0.8 14.9 43 77 A C H < S+ 0 0 0 -4,-3.3 2,-0.4 -5,-0.2 3,-0.3 0.723 103.8 65.3 -93.8 -22.8 26.6 0.1 16.6 44 78 A L S < S+ 0 0 41 -4,-1.4 -1,-0.0 -5,-0.4 0, 0.0 -0.862 84.6 47.7-105.2 133.6 26.8 -2.5 19.4 45 79 A G S S+ 0 0 60 -2,-0.4 -1,-0.2 1,-0.4 2,-0.1 0.209 78.0 107.6 129.5 -14.3 29.4 -2.4 22.1 46 80 A G S S- 0 0 21 -3,-0.3 -1,-0.4 -4,-0.1 36,-0.0 -0.283 81.8-104.2 -87.3 176.1 29.5 1.1 23.5 47 81 A K - 0 0 117 -2,-0.1 -1,-0.1 300,-0.1 302,-0.0 0.716 44.3-143.5 -69.2 -23.5 28.3 2.7 26.8 48 82 A N > + 0 0 22 3,-0.1 4,-2.8 34,-0.1 5,-0.2 0.676 47.7 148.2 63.1 30.5 25.3 4.2 24.7 49 83 A N H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.862 71.1 48.5 -57.6 -41.9 25.4 7.4 26.8 50 84 A R H > S+ 0 0 21 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.897 114.2 45.5 -66.5 -43.0 24.2 9.5 23.9 51 85 A G H >> S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 3,-0.6 0.920 114.6 46.9 -64.6 -48.1 21.3 7.1 23.0 52 86 A I H 3X S+ 0 0 45 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.852 105.5 62.0 -62.9 -37.4 20.2 6.8 26.7 53 87 A L H 3X S+ 0 0 2 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.818 103.6 49.2 -60.2 -35.0 20.4 10.6 27.0 54 88 A V H X S+ 0 0 11 -4,-3.0 4,-1.7 1,-0.2 3,-0.5 0.902 114.2 43.5 -59.9 -45.4 12.2 12.4 26.4 59 93 A E H 3< S+ 0 0 80 -4,-2.1 5,-0.3 1,-0.2 -1,-0.2 0.873 114.0 48.6 -66.5 -45.4 10.7 10.7 29.5 60 94 A Y H 3< S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.359 114.6 44.3 -87.0 7.9 11.5 13.6 32.0 61 95 A V H << S+ 0 0 25 -4,-0.6 2,-1.5 -3,-0.5 -2,-0.2 0.735 109.0 55.1-108.6 -44.7 10.1 16.4 29.8 62 96 A K S < S+ 0 0 28 -4,-1.7 2,-2.8 -5,-0.3 -1,-0.1 -0.372 74.2 179.5 -84.4 52.9 6.9 14.6 28.8 63 97 A N + 0 0 97 -2,-1.5 2,-0.2 -3,-0.2 -3,-0.1 -0.344 56.9 72.5 -61.6 71.7 6.0 14.0 32.6 64 98 A R S S- 0 0 81 -2,-2.8 2,-0.2 -5,-0.3 -2,-0.1 -0.863 100.3 -43.6-166.1-175.8 2.8 12.3 31.4 65 99 A D - 0 0 97 -2,-0.2 2,-0.5 1,-0.0 -2,-0.0 -0.522 48.8-162.6 -73.4 135.3 1.8 8.9 29.7 66 100 A I - 0 0 33 -2,-0.2 2,-0.1 3,-0.0 -7,-0.0 -0.983 9.7-147.2-122.5 113.7 4.0 7.8 26.8 67 101 A N >> - 0 0 83 -2,-0.5 4,-1.7 1,-0.1 3,-0.6 -0.349 29.1-102.7 -80.7 163.3 2.6 5.2 24.4 68 102 A S H 3> S+ 0 0 106 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.797 121.5 53.6 -49.8 -40.4 4.5 2.4 22.5 69 103 A S H 3> S+ 0 0 62 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.848 107.7 49.7 -66.5 -39.7 4.4 4.4 19.2 70 104 A E H <> S+ 0 0 67 -3,-0.6 4,-1.6 1,-0.2 -2,-0.2 0.832 111.4 49.4 -68.3 -36.5 5.9 7.6 20.8 71 105 A W H X S+ 0 0 48 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.786 103.6 60.6 -70.5 -33.0 8.7 5.5 22.3 72 106 A E H X S+ 0 0 68 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.833 107.9 44.6 -62.8 -37.8 9.3 3.9 18.9 73 107 A K H X S+ 0 0 38 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.887 114.6 49.0 -74.2 -40.4 10.1 7.5 17.6 74 108 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.894 111.9 46.4 -66.4 -45.6 12.3 8.3 20.6 75 109 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.747 107.9 59.7 -70.6 -22.7 14.3 5.1 20.4 76 110 A C H X S+ 0 0 0 -4,-0.9 4,-2.6 -5,-0.2 -2,-0.2 0.980 109.7 41.4 -64.7 -53.9 14.7 5.7 16.6 77 111 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.833 114.5 53.5 -60.9 -35.9 16.4 9.1 17.4 78 112 A A H X S+ 0 0 0 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.918 112.2 42.8 -66.1 -45.6 18.4 7.4 20.2 79 113 A W H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 3,-0.2 0.861 108.2 60.8 -70.3 -33.2 19.6 4.7 17.8 80 114 A C H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.849 104.4 48.7 -59.6 -38.2 20.3 7.3 15.1 81 115 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.799 111.4 50.5 -74.2 -25.9 22.8 9.1 17.4 82 116 A E H X S+ 0 0 2 -4,-0.9 4,-2.2 -3,-0.2 -2,-0.2 0.835 109.8 48.8 -79.3 -32.2 24.4 5.7 18.1 83 117 A I H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.885 111.4 51.7 -69.9 -37.1 24.7 5.0 14.3 84 118 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.929 110.1 47.2 -64.3 -45.8 26.2 8.6 14.1 85 119 A Q H X S+ 0 0 33 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.902 110.8 53.2 -60.3 -42.4 28.7 7.6 16.8 86 120 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.908 110.0 46.9 -58.8 -43.8 29.4 4.4 14.9 87 121 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.881 114.1 47.7 -68.0 -37.3 30.1 6.5 11.6 88 122 A F H X S+ 0 0 41 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.895 110.8 52.0 -66.3 -44.4 32.4 8.8 13.6 89 123 A L H X S+ 0 0 14 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.916 112.2 44.8 -58.9 -49.8 34.2 5.8 15.2 90 124 A V H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.927 116.5 45.8 -63.6 -47.1 34.9 4.1 11.9 91 125 A A H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.920 112.2 51.3 -64.1 -46.3 36.0 7.4 10.2 92 126 A D H X S+ 0 0 24 -4,-3.1 4,-3.1 1,-0.2 -1,-0.2 0.836 109.1 50.7 -59.0 -39.6 38.2 8.4 13.2 93 127 A D H <>S+ 0 0 11 -4,-2.0 5,-2.6 2,-0.2 4,-0.4 0.872 111.4 47.3 -71.0 -35.5 40.0 5.0 13.2 94 128 A I H ><5S+ 0 0 11 -4,-1.8 3,-0.8 3,-0.2 -2,-0.2 0.964 117.4 44.5 -62.9 -53.5 40.7 5.3 9.4 95 129 A M H 3<5S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.2 372,-0.2 0.877 120.8 36.8 -58.5 -51.1 42.0 8.9 10.0 96 130 A D T 3<5S- 0 0 34 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.343 108.3-120.9 -86.0 4.3 44.1 8.2 13.1 97 131 A K T < 5 - 0 0 119 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.947 45.7-165.8 52.0 53.5 45.2 4.8 11.8 98 132 A G < - 0 0 15 -5,-2.6 3,-0.1 1,-0.1 -1,-0.1 -0.139 26.0-163.6 -66.6 163.4 43.7 3.1 14.9 99 133 A E S S+ 0 0 102 1,-0.4 7,-1.5 6,-0.1 2,-0.3 0.734 70.0 17.9-114.8 -50.8 44.3 -0.5 16.1 100 134 A M E +A 105 0A 108 5,-0.2 -1,-0.4 3,-0.0 2,-0.3 -0.945 52.9 178.6-129.7 149.8 41.5 -1.4 18.5 101 135 A R E > S-A 104 0A 86 3,-2.9 3,-1.3 -2,-0.3 6,-0.0 -0.938 78.2 -3.8-151.1 126.0 38.0 0.1 19.3 102 136 A R T 3 S- 0 0 62 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.856 129.3 -59.3 56.0 41.3 35.6 -1.3 22.0 103 137 A N T 3 S+ 0 0 158 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.550 121.9 89.2 66.5 17.7 38.1 -4.2 22.6 104 138 A K E < S-A 101 0A 65 -3,-1.3 -3,-2.9 1,-0.0 -1,-0.2 -0.845 88.8 -77.8-133.3 165.5 37.9 -5.4 19.0 105 139 A Y E -A 100 0A 76 427,-0.4 -5,-0.2 -2,-0.3 2,-0.1 -0.356 55.6 -98.7 -60.9 142.4 39.8 -4.7 15.8 106 140 A C >> - 0 0 3 -7,-1.5 3,-1.3 1,-0.1 4,-0.7 -0.424 32.6-120.8 -60.9 136.0 38.9 -1.4 14.0 107 141 A W G >4 S+ 0 0 4 1,-0.3 3,-1.0 2,-0.2 7,-0.5 0.857 110.4 57.7 -47.3 -45.4 36.5 -2.2 11.1 108 142 A Y G 34 S+ 0 0 22 1,-0.2 6,-0.4 -18,-0.2 -1,-0.3 0.787 98.7 60.4 -63.6 -28.7 38.9 -0.7 8.4 109 143 A L G <4 S+ 0 0 52 -3,-1.3 -1,-0.2 5,-0.1 -2,-0.2 0.718 78.9 111.4 -69.5 -26.8 41.7 -3.2 9.5 110 144 A L S XX S- 0 0 0 -3,-1.0 4,-1.7 -4,-0.7 3,-1.4 -0.271 72.9-132.3 -55.2 132.3 39.6 -6.3 8.6 111 145 A K T 34 S+ 0 0 30 423,-2.6 -1,-0.1 420,-0.3 424,-0.1 0.857 107.6 48.3 -51.2 -45.5 40.9 -8.2 5.5 112 146 A D T 34 S+ 0 0 16 422,-0.3 -1,-0.3 419,-0.3 410,-0.1 0.474 122.2 34.5 -78.8 -6.5 37.3 -8.3 4.0 113 147 A V T <> S+ 0 0 0 -3,-1.4 4,-1.0 -6,-0.2 -2,-0.2 0.771 77.7 170.4-109.8 -74.7 36.7 -4.6 4.6 114 148 A E H X - 0 0 70 -4,-1.7 4,-2.2 -7,-0.5 3,-0.2 0.128 59.0 -68.5 72.5 168.7 39.9 -2.5 4.2 115 149 A T H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 130.0 62.2 -57.0 -43.9 40.1 1.4 4.1 116 150 A K H > S+ 0 0 69 1,-0.2 4,-1.4 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-4.9 29.9 1049 391 C I T 3< 0 0 73 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.228 360.0 360.0 -86.4 15.2 87.2 -2.3 27.0 1050 392 C L < 0 0 60 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.1 0.878 360.0 360.0 -41.2 360.0 84.0 -4.1 25.7 1051 !* 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 1052 35 D A > 0 0 119 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -99.9 74.7 -33.0 -21.0 1053 36 D F H >> + 0 0 77 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.869 360.0 55.8 -63.9 -39.1 77.5 -34.4 -18.6 1054 37 D F H >4 S+ 0 0 14 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.891 103.9 51.8 -59.3 -46.8 77.8 -30.9 -17.1 1055 38 D R H 34 S+ 0 0 55 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.700 108.2 52.6 -66.2 -22.2 74.0 -30.9 -16.2 1056 39 D N H << S+ 0 0 79 -4,-0.8 4,-0.3 -3,-0.5 3,-0.3 0.685 100.8 61.8 -85.5 -23.1 74.4 -34.3 -14.4 1057 40 D M S > S+ 0 0 6 -4,-0.4 4,-2.6 -3,-0.3 3,-0.7 0.886 80.7 50.1 -45.6 -62.4 75.1 -30.3 -10.5 1059 42 D D H 3> S+ 0 0 72 -3,-0.3 4,-3.9 1,-0.2 5,-0.3 0.851 104.6 60.1 -51.5 -41.2 74.0 -32.3 -7.4 1060 43 D K H 3> S+ 0 0 78 -4,-0.3 4,-1.6 -3,-0.2 -1,-0.2 0.895 112.0 37.7 -54.3 -48.9 77.6 -33.3 -6.6 1061 44 D Y H < S+ 0 0 19 -4,-1.0 3,-0.9 1,-0.2 -2,-0.2 0.911 108.0 45.3 -62.7 -45.1 80.1 -28.2 4.5 1069 52 D L H >< S+ 0 0 4 -4,-1.4 3,-1.5 1,-0.2 -1,-0.2 0.810 106.3 62.3 -66.2 -33.6 77.2 -26.4 6.3 1070 53 D N H 3< S+ 0 0 69 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.641 92.7 63.6 -67.0 -18.2 76.2 -29.7 7.8 1071 54 D E T << S+ 0 0 144 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.555 80.6 112.5 -82.6 -9.4 79.6 -30.0 9.6 1072 55 D Y S < S- 0 0 10 -3,-1.5 2,-1.7 -4,-0.2 7,-0.1 -0.301 84.6-105.0 -64.5 147.9 78.7 -26.8 11.7 1073 56 D S S S+ 0 0 87 -162,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.575 72.7 133.9 -77.5 84.7 78.1 -27.2 15.5 1074 57 D L - 0 0 15 -2,-1.7 -166,-0.1 -4,-0.2 2,-0.0 -0.960 65.3 -89.7-133.3 153.2 74.3 -27.0 15.4 1075 58 D E >> - 0 0 52 -2,-0.3 4,-1.9 1,-0.1 3,-1.0 -0.382 44.0-115.1 -61.9 136.4 71.5 -28.9 17.0 1076 59 D E H 3> S+ 0 0 136 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.768 114.9 52.1 -45.9 -40.0 70.4 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0.909 112.2 42.2 -64.7 -44.8 81.5 -24.3 -14.6 1126 113 D W H X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.854 107.9 61.6 -72.1 -32.3 78.8 -24.7 -11.9 1127 114 D C H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.839 103.5 49.8 -60.2 -35.7 80.5 -21.9 -9.8 1128 115 D I H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.816 111.0 49.5 -74.3 -28.8 79.8 -19.4 -12.7 1129 116 D E H X S+ 0 0 1 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.820 110.1 49.6 -78.1 -30.9 76.1 -20.7 -12.8 1130 117 D I H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.884 111.4 50.9 -69.6 -38.3 75.9 -20.2 -8.9 1131 118 D L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.924 110.3 47.6 -62.8 -45.0 77.4 -16.7 -9.6 1132 119 D Q H X S+ 0 0 31 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.903 111.1 52.6 -61.6 -41.6 74.7 -16.1 -12.3 1133 120 D A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.911 110.1 46.7 -58.3 -49.1 72.1 -17.4 -9.7 1134 121 D A H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.848 113.9 50.0 -60.4 -41.0 73.4 -14.9 -7.0 1135 122 D F H X S+ 0 0 41 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.874 110.5 47.9 -65.4 -45.3 73.3 -12.0 -9.7 1136 123 D L H X S+ 0 0 14 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.873 112.2 49.0 -69.4 -35.7 69.7 -12.8 -10.8 1137 124 D V H X S+ 0 0 4 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.938 116.1 43.7 -65.8 -45.6 68.3 -13.0 -7.2 1138 125 D A H X S+ 0 0 9 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.913 113.1 51.4 -64.8 -45.8 70.0 -9.7 -6.4 1139 126 D D H X S+ 0 0 33 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.839 109.2 50.5 -61.2 -38.1 68.9 -8.0 -9.7 1140 127 D D H <>S+ 0 0 11 -4,-1.9 5,-2.7 2,-0.2 4,-0.3 0.867 111.2 47.5 -71.6 -35.1 65.3 -9.0 -9.1 1141 128 D I H ><5S+ 0 0 15 -4,-1.7 3,-0.8 3,-0.2 -2,-0.2 0.959 117.6 44.5 -64.5 -51.5 65.3 -7.6 -5.5 1142 129 D M H 3<5S+ 0 0 20 -4,-2.6 -318,-0.2 1,-0.2 -2,-0.2 0.883 120.7 36.7 -59.7 -50.9 67.0 -4.4 -6.9 1143 130 D D T 3<5S- 0 0 37 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.308 108.8-120.5 -88.1 6.5 64.7 -4.0 -10.0 1144 131 D K T < 5 - 0 0 75 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.936 45.7-164.6 50.0 54.3 61.6 -5.2 -8.1 1145 132 D G < 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1,-0.2 -3,-0.2 0.853 50.9 173.6 56.7 41.4 64.2 4.0 -17.0 1314 310 D K < - 0 0 15 -5,-2.9 2,-0.9 -6,-0.1 -1,-0.2 -0.597 40.3-120.8 -87.0 142.8 67.1 1.9 -18.4 1315 311 D L + 0 0 5 -104,-0.3 2,-0.3 -2,-0.2 -1,-0.1 -0.723 50.0 173.8 -77.2 102.6 69.8 3.2 -20.8 1316 312 D T > - 0 0 6 -2,-0.9 4,-2.0 1,-0.1 5,-0.1 -0.754 46.1-116.9-113.6 162.7 69.2 0.7 -23.6 1317 313 D W H > S+ 0 0 39 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.947 116.1 51.8 -63.8 -47.7 70.5 0.2 -27.2 1318 314 D P H > S+ 0 0 11 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.882 110.8 49.8 -57.8 -35.8 67.0 0.8 -28.8 1319 315 D L H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 113.3 44.6 -64.3 -47.2 66.7 4.0 -26.8 1320 316 D I H X S+ 0 0 18 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.915 115.9 47.4 -64.2 -45.3 70.2 5.3 -27.9 1321 317 D K H X S+ 0 0 17 -4,-2.9 4,-1.5 2,-0.2 3,-0.5 0.945 113.4 47.2 -61.0 -51.7 69.5 4.3 -31.6 1322 318 D T H X S+ 0 0 10 -4,-2.7 4,-1.0 1,-0.2 3,-0.2 0.899 112.0 52.1 -55.5 -45.3 66.0 5.9 -31.6 1323 319 D F H < S+ 0 0 48 -4,-2.2 -1,-0.2 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339 D L H > S+ 0 0 32 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.807 104.7 52.4 -53.7 -41.4 50.8 1.8 -20.0 1344 340 D A H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.930 108.8 50.7 -63.0 -45.7 50.2 4.8 -22.2 1345 341 D C H > S+ 0 0 23 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.817 114.2 43.3 -58.5 -42.8 53.8 6.2 -21.6 1346 342 D V H X S+ 0 0 16 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.843 110.2 56.6 -74.7 -34.8 55.4 2.7 -22.5 1347 343 D K H X S+ 0 0 44 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.821 106.3 51.5 -64.6 -32.5 53.0 2.4 -25.6 1348 344 D V H X S+ 0 0 41 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.923 112.5 43.4 -69.6 -47.2 54.3 5.8 -26.9 1349 345 D I H X S+ 0 0 4 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.868 113.1 54.1 -67.9 -35.5 58.0 4.6 -26.5 1350 346 D D H X S+ 0 0 50 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.893 108.2 49.4 -62.3 -43.0 57.0 1.2 -28.1 1351 347 D S H X S+ 0 0 77 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.828 107.1 54.0 -66.5 -37.5 55.5 3.0 -31.1 1352 348 D L H X S+ 0 0 5 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.822 106.7 52.4 -66.5 -33.4 58.6 5.2 -31.7 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X S+ 0 0 124 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.869 111.6 47.6 -52.4 -42.1 69.8 -6.7 -37.7 1364 360 D S H X S+ 0 0 84 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.873 115.0 45.9 -66.8 -40.6 72.3 -4.3 -39.3 1365 361 D Y H X S+ 0 0 30 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.917 109.0 54.5 -67.6 -50.0 74.2 -4.1 -36.0 1366 362 D E H X S+ 0 0 16 -4,-3.5 4,-1.7 1,-0.2 -2,-0.2 0.814 110.9 45.8 -54.2 -39.6 74.2 -7.9 -35.4 1367 363 D K H X S+ 0 0 69 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.912 115.6 45.9 -71.3 -45.2 75.8 -8.6 -38.8 1368 364 D A H X S+ 0 0 66 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.834 115.8 45.3 -67.0 -37.5 78.5 -5.8 -38.3 1369 365 D Q H X S+ 0 0 8 -4,-2.9 4,-2.0 2,-0.2 3,-0.2 0.905 107.1 58.1 -75.2 -41.8 79.4 -6.9 -34.7 1370 366 D K H X S+ 0 0 61 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.869 109.9 45.4 -53.1 -42.2 79.5 -10.6 -35.6 1371 367 D A H X S+ 0 0 59 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.794 108.6 55.1 -73.7 -32.4 82.2 -9.8 -38.2 1372 368 D K H X S+ 0 0 107 -4,-1.0 4,-1.4 -3,-0.2 -2,-0.2 0.872 113.0 43.9 -65.6 -37.0 84.1 -7.5 -35.8 1373 369 D I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.923 112.2 50.9 -72.7 -49.9 84.2 -10.5 -33.3 1374 370 D L H X S+ 0 0 65 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.865 110.1 51.3 -56.7 -40.4 85.2 -13.1 -36.0 1375 371 D S H X S+ 0 0 84 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.897 112.0 45.4 -62.7 -46.4 88.1 -10.8 -37.1 1376 372 D A H < S+ 0 0 29 -4,-1.4 3,-0.4 1,-0.2 -2,-0.2 0.844 110.8 54.5 -66.5 -37.4 89.4 -10.5 -33.5 1377 373 D I H >< S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 4,-0.3 0.867 104.3 54.4 -64.2 -40.7 89.0 -14.3 -33.0 1378 374 D N H 3< S+ 0 0 108 -4,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.711 100.5 60.1 -70.5 -17.6 91.2 -15.0 -36.1 1379 375 D E T 3< S+ 0 0 49 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.363 85.6 83.1 -87.9 3.5 93.9 -12.8 -34.6 1380 376 D L S < S- 0 0 6 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.868 80.9-149.2 -71.3 -44.2 94.1 -15.2 -31.5 1381 377 D H + 0 0 149 -3,-0.4 2,-0.2 -4,-0.3 -3,-0.1 0.948 61.8 109.6 65.3 53.9 96.4 -17.8 -33.2 1382 378 D H > - 0 0 45 -5,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.666 51.1-164.7-157.9 93.1 94.9 -20.8 -31.2 1383 379 D E H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.796 87.4 53.4 -49.1 -41.8 92.7 -23.2 -33.4 1384 380 D G H > S+ 0 0 15 2,-0.2 4,-1.6 -272,-0.2 -1,-0.2 0.940 113.9 37.6 -63.7 -55.0 91.1 -24.8 -30.3 1385 381 D I H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.909 115.1 57.1 -63.3 -43.9 89.9 -21.6 -28.5 1386 382 D E H X S+ 0 0 37 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.836 106.0 50.4 -55.4 -39.9 89.0 -20.1 -32.0 1387 383 D Y H X S+ 0 0 132 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.930 112.7 45.9 -64.1 -48.5 86.7 -23.2 -32.7 1388 384 D V H X S+ 0 0 1 -4,-1.6 4,-3.2 2,-0.2 -2,-0.2 0.921 112.9 49.7 -60.7 -48.2 84.9 -22.8 -29.3 1389 385 D L H X S+ 0 0 6 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.875 112.6 46.7 -62.9 -39.5 84.5 -19.0 -29.8 1390 386 D K H X S+ 0 0 37 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.892 116.0 45.6 -67.9 -40.8 83.0 -19.4 -33.3 1391 387 D Y H X S+ 0 0 45 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.896 113.2 50.3 -66.9 -43.0 80.7 -22.2 -32.0 1392 388 D L H >< S+ 0 0 23 -4,-3.2 3,-0.6 1,-0.2 -2,-0.2 0.922 107.5 54.1 -60.4 -46.2 79.7 -20.1 -28.9 1393 389 D L H 3< S+ 0 0 4 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.816 107.0 50.9 -58.6 -35.2 78.9 -17.1 -31.2 1394 390 D E H 3< S+ 0 0 126 -4,-1.3 2,-0.5 1,-0.2 -1,-0.3 0.794 111.1 51.1 -73.4 -27.1 76.5 -19.3 -33.3 1395 391 D I << 0 0 95 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.1 -0.607 360.0 360.0-111.9 65.9 74.8 -20.4 -30.0 1396 392 D L 0 0 55 -2,-0.5 -3,-0.1 -3,-0.5 -2,-0.1 0.062 360.0 360.0-122.4 360.0 74.1 -16.9 -28.3