==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-DEC-10 3Q2Q . COMPND 2 MOLECULE: GERANYLGERANYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR Y.PATSKOVSKY,R.TORO,M.RUTTER,J.M.SAUDER,C.D.POULTER,J.A.GERL . 314 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 78.7 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 . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 1 1 0 0 1 2 0 1 2 0 1 0 0 0 0 1 0 1 1 0 2 0 0 1 0 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 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 27 A V 0 0 97 0, 0.0 2,-0.5 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0-159.7 32.3 -9.5 7.5 2 28 A E + 0 0 171 6,-0.0 2,-0.2 0, 0.0 3,-0.0 -0.969 360.0 169.2-125.3 119.4 30.2 -6.9 9.5 3 29 A F - 0 0 32 -2,-0.5 6,-0.1 2,-0.4 296,-0.1 -0.543 49.9 -96.8-114.4-179.6 31.7 -4.8 12.2 4 30 A G S S+ 0 0 79 294,-0.2 -1,-0.1 -2,-0.2 3,-0.0 0.974 109.4 70.4 -60.4 -54.6 30.5 -1.8 14.2 5 31 A D > - 0 0 41 1,-0.2 4,-1.9 293,-0.1 -2,-0.4 -0.511 62.8-169.6 -67.1 117.8 32.4 0.6 11.9 6 32 A P H > S+ 0 0 96 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.731 91.1 57.4 -79.8 -22.7 30.7 0.7 8.5 7 33 A E H > S+ 0 0 127 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.862 109.5 44.9 -69.5 -39.2 33.7 2.6 7.1 8 34 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.921 108.6 57.4 -66.3 -46.6 35.8 -0.3 8.3 9 35 A T H X S+ 0 0 21 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.878 109.2 45.5 -53.3 -41.8 33.3 -2.8 6.8 10 36 A A H X S+ 0 0 45 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.867 111.8 49.6 -72.5 -40.9 33.7 -1.3 3.3 11 37 A R H X S+ 0 0 89 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.965 115.3 44.1 -62.1 -51.9 37.5 -1.0 3.3 12 38 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.917 111.0 53.3 -60.1 -50.0 37.9 -4.6 4.4 13 39 A N H X S+ 0 0 65 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.866 108.8 50.6 -56.8 -37.6 35.2 -5.9 2.0 14 40 A D H X S+ 0 0 106 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.892 111.6 47.4 -66.0 -40.2 37.0 -4.2 -0.9 15 41 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.895 105.9 58.1 -69.5 -38.2 40.3 -5.8 0.1 16 42 A M H X S+ 0 0 21 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.848 103.8 54.0 -60.5 -31.6 38.7 -9.2 0.5 17 43 A V H X S+ 0 0 77 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.904 108.3 48.4 -65.4 -42.9 37.7 -8.9 -3.2 18 44 A Q H X S+ 0 0 83 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.878 111.4 50.6 -64.8 -38.7 41.3 -8.2 -4.1 19 45 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.957 110.1 49.8 -61.7 -51.3 42.3 -11.2 -2.0 20 46 A E H X S+ 0 0 71 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.867 110.8 50.8 -56.8 -38.7 39.7 -13.4 -3.8 21 47 A E H X S+ 0 0 127 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.953 113.8 41.6 -64.8 -51.9 41.0 -12.3 -7.2 22 48 A L H X S+ 0 0 46 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.920 114.7 52.7 -65.0 -42.2 44.6 -13.0 -6.6 23 49 A L H X S+ 0 0 1 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.941 110.7 47.0 -54.4 -52.4 43.8 -16.2 -4.9 24 50 A H H X S+ 0 0 109 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.918 108.9 54.8 -58.6 -43.1 41.7 -17.3 -7.9 25 51 A T H < S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.943 112.0 44.4 -55.2 -43.4 44.5 -16.3 -10.3 26 52 A E H >< S+ 0 0 26 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.941 111.8 50.4 -70.5 -46.6 46.9 -18.6 -8.4 27 53 A L H 3< S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 115.0 46.5 -61.0 -28.1 44.6 -21.5 -8.1 28 54 A S T 3< S+ 0 0 42 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.3 0.137 89.9 107.5-102.8 23.0 44.0 -21.3 -11.8 29 55 A S < + 0 0 41 -3,-1.8 2,-0.2 6,-0.1 86,-0.1 -0.780 57.5 40.9-100.6 145.3 47.6 -20.9 -12.9 30 56 A G S S- 0 0 60 -2,-0.3 5,-0.0 4,-0.1 -3,-0.0 -0.622 96.3 -14.7 115.4-174.8 49.5 -23.7 -14.7 31 57 A E >> - 0 0 121 -2,-0.2 4,-2.7 1,-0.1 3,-0.9 -0.251 64.8-114.2 -66.3 146.3 48.9 -26.3 -17.3 32 58 A D H 3> S+ 0 0 125 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.879 114.3 52.0 -45.6 -48.4 45.3 -27.0 -18.3 33 59 A F H 3> S+ 0 0 134 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.829 113.7 44.8 -66.4 -29.1 45.3 -30.6 -17.0 34 60 A L H <> S+ 0 0 45 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.913 112.3 49.5 -78.8 -44.6 46.6 -29.4 -13.6 35 61 A V H X S+ 0 0 24 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.938 106.6 57.5 -60.0 -45.0 44.3 -26.4 -13.3 36 62 A D H X S+ 0 0 91 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.911 109.2 46.0 -50.1 -45.4 41.3 -28.7 -14.1 37 63 A I H X S+ 0 0 45 -4,-1.0 4,-1.5 -5,-0.2 -1,-0.2 0.925 112.9 47.9 -67.1 -44.2 42.2 -30.9 -11.2 38 64 A V H X S+ 0 0 1 -4,-2.4 4,-0.7 1,-0.2 3,-0.2 0.927 112.6 49.3 -62.6 -44.0 42.7 -28.0 -8.7 39 65 A M H >< S+ 0 0 62 -4,-3.4 3,-0.9 1,-0.2 -1,-0.2 0.914 108.9 52.5 -67.1 -36.5 39.5 -26.4 -9.7 40 66 A H H 3< S+ 0 0 145 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.807 114.5 43.0 -65.4 -29.4 37.6 -29.7 -9.3 41 67 A L H 3< S+ 0 0 59 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.459 80.8 132.2 -94.2 -0.1 39.0 -30.1 -5.8 42 68 A T << - 0 0 49 -3,-0.9 -3,-0.1 -4,-0.7 -4,-0.0 -0.338 67.6-124.9 -58.8 133.4 38.4 -26.5 -5.0 43 69 A R - 0 0 111 1,-0.2 -1,-0.2 38,-0.0 -4,-0.1 0.548 39.2-107.0 -65.8 -10.0 36.8 -26.7 -1.6 44 70 A A S S- 0 0 94 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.699 70.9 -73.5 87.9 16.2 33.9 -24.7 -2.8 45 71 A G - 0 0 38 2,-0.0 2,-0.3 3,-0.0 0, 0.0 -0.071 50.7-135.6 88.6 177.5 35.2 -21.9 -0.8 46 72 A G - 0 0 50 -2,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.863 37.8 -82.2-159.1 179.0 35.3 -21.0 2.8 47 73 A K - 0 0 181 -2,-0.3 5,-0.1 1,-0.0 -2,-0.0 0.638 49.9-141.0 -69.3 -18.7 34.8 -18.2 5.3 48 74 A R > + 0 0 32 1,-0.1 4,-1.9 3,-0.1 5,-0.2 0.875 43.9 156.1 52.5 40.5 38.3 -16.8 4.5 49 75 A F H > + 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 65.1 55.7 -58.8 -40.8 38.8 -16.1 8.2 50 76 A R H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 109.1 42.4 -66.9 -47.6 42.6 -16.1 7.8 51 77 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.891 113.5 54.4 -65.7 -34.5 42.9 -13.5 5.1 52 78 A M H X S+ 0 0 15 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.924 107.5 50.0 -61.9 -42.0 40.3 -11.3 6.8 53 79 A F H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.906 109.5 51.9 -63.0 -38.5 42.3 -11.5 10.0 54 80 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.890 110.4 48.4 -62.5 -40.4 45.4 -10.5 8.0 55 81 A L H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 10,-0.3 0.939 111.7 48.8 -66.5 -47.0 43.5 -7.5 6.6 56 82 A L H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 4,-0.2 0.922 109.8 53.0 -56.3 -45.0 42.3 -6.4 10.0 57 83 A A H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.868 100.8 60.5 -59.5 -37.8 45.8 -6.7 11.4 58 84 A S H >< S+ 0 0 0 -4,-1.6 3,-2.0 1,-0.3 -1,-0.3 0.697 85.0 78.2 -67.6 -17.1 47.1 -4.4 8.6 59 85 A E T << S+ 0 0 39 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.660 86.5 62.3 -64.3 -13.4 44.9 -1.6 9.8 60 86 A F T < S+ 0 0 26 -3,-1.8 124,-0.4 -4,-0.2 -1,-0.3 0.422 96.2 74.0 -91.6 1.1 47.5 -1.1 12.6 61 87 A G S < S- 0 0 15 -3,-2.0 121,-0.2 122,-0.2 122,-0.2 -0.521 92.7-105.1-106.5 177.2 50.2 -0.2 10.1 62 88 A E S S+ 0 0 172 119,-0.5 120,-0.2 1,-0.2 -3,-0.1 0.695 116.5 42.4 -71.5 -21.1 51.1 2.8 8.0 63 89 A K S > S- 0 0 132 118,-2.9 3,-1.4 -5,-0.2 -1,-0.2 -0.459 80.0-172.7-128.3 63.7 49.9 1.0 4.8 64 90 A P T 3 S+ 0 0 52 0, 0.0 -5,-0.1 0, 0.0 -9,-0.1 -0.203 71.3 0.8 -53.9 139.8 46.7 -0.8 5.6 65 91 A L T 3 S+ 0 0 28 -10,-0.3 -10,-0.1 -11,-0.2 116,-0.1 0.707 91.3 161.2 58.4 23.7 45.4 -3.1 2.9 66 92 A S <> - 0 0 35 -3,-1.4 4,-2.2 1,-0.1 3,-0.3 -0.098 57.7 -92.6 -69.9 176.9 48.2 -2.4 0.6 67 93 A E H > S+ 0 0 164 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.866 127.3 49.2 -60.6 -37.3 49.1 -4.7 -2.3 68 94 A N H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.787 108.1 54.0 -74.4 -27.3 51.7 -6.7 -0.3 69 95 A V H > S+ 0 0 0 -3,-0.3 4,-2.3 111,-0.2 -2,-0.2 0.902 109.8 47.8 -66.1 -45.4 49.1 -7.1 2.5 70 96 A I H X S+ 0 0 9 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.899 113.0 49.2 -61.0 -44.2 46.7 -8.6 -0.0 71 97 A K H X S+ 0 0 37 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.903 110.1 49.5 -63.9 -44.1 49.5 -10.8 -1.3 72 98 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.905 109.1 53.9 -58.0 -43.5 50.5 -12.0 2.2 73 99 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.891 108.2 48.9 -59.8 -39.8 46.8 -12.8 2.9 74 100 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.881 108.4 54.2 -68.7 -38.3 46.7 -14.9 -0.3 75 101 A V H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.954 109.4 47.5 -59.2 -46.0 49.8 -16.7 0.8 76 102 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.934 114.8 46.1 -60.1 -46.8 48.3 -17.6 4.2 77 103 A E H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.891 111.1 51.3 -67.7 -38.2 45.0 -18.8 2.5 78 104 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.909 110.8 49.6 -60.8 -42.7 46.9 -20.8 -0.1 79 105 A T H X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.940 109.5 51.7 -62.9 -45.8 48.9 -22.5 2.6 80 106 A H H X S+ 0 0 30 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.919 111.6 46.6 -53.5 -47.3 45.6 -23.2 4.5 81 107 A L H X S+ 0 0 17 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.890 108.6 55.1 -66.3 -39.8 44.2 -24.8 1.4 82 108 A A H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.934 108.2 48.8 -58.1 -46.2 47.3 -26.9 0.7 83 109 A T H X S+ 0 0 13 -4,-2.2 4,-3.7 1,-0.2 5,-0.2 0.873 107.1 55.1 -65.7 -38.6 47.2 -28.4 4.2 84 110 A L H X S+ 0 0 38 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.908 107.0 51.6 -56.2 -43.6 43.5 -29.3 3.8 85 111 A Y H X S+ 0 0 13 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.938 115.7 40.1 -61.9 -45.4 44.4 -31.2 0.7 86 112 A H H X S+ 0 0 46 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.897 115.7 51.4 -71.1 -39.0 47.1 -33.1 2.5 87 113 A D H X S+ 0 0 22 -4,-3.7 4,-1.8 1,-0.2 3,-0.2 0.900 107.4 54.0 -61.2 -41.2 45.0 -33.5 5.6 88 114 A D H X S+ 0 0 47 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.904 103.9 54.0 -62.0 -43.0 42.0 -34.8 3.5 89 115 A V H < S+ 0 0 25 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.837 112.3 46.1 -60.6 -31.2 44.1 -37.6 1.9 90 116 A M H >< S+ 0 0 85 -4,-1.2 3,-1.9 -3,-0.2 -1,-0.2 0.754 97.8 66.3 -85.8 -26.2 45.1 -38.7 5.4 91 117 A D H 3< S+ 0 0 111 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.708 86.4 79.0 -60.2 -17.8 41.6 -38.6 6.9 92 118 A E T 3< 0 0 132 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.515 360.0 360.0 -69.9 -5.9 41.2 -41.4 4.3 93 119 A A < 0 0 131 -3,-1.9 -2,-0.1 0, 0.0 -3,-0.1 0.578 360.0 360.0-105.3 360.0 43.0 -43.7 6.9 94 ! 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 95 127 A S 0 0 144 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.7 40.9 -49.1 -4.9 96 128 A A > + 0 0 76 2,-0.2 4,-0.8 3,-0.1 5,-0.1 0.548 360.0 56.6-104.7 -17.0 42.7 -47.7 -7.9 97 129 A N T 4 S+ 0 0 126 2,-0.2 4,-0.4 3,-0.1 -1,-0.1 0.455 112.2 44.6 -88.0 -4.7 40.1 -44.9 -8.4 98 130 A A T > S+ 0 0 37 2,-0.2 4,-1.4 3,-0.1 -2,-0.2 0.642 108.8 53.9-105.9 -28.4 41.0 -43.9 -4.8 99 131 A R H > S+ 0 0 55 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.766 111.1 48.4 -73.9 -27.9 44.7 -44.2 -5.2 100 132 A W H X S+ 0 0 142 -4,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.913 109.0 52.6 -73.1 -45.7 44.3 -41.9 -8.2 101 133 A D H > S+ 0 0 83 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.822 110.9 48.7 -58.4 -33.0 42.2 -39.5 -6.1 102 134 A N H X S+ 0 0 47 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.926 108.9 49.6 -76.5 -45.4 45.0 -39.5 -3.4 103 135 A S H X S+ 0 0 64 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.933 111.2 53.9 -52.9 -44.1 47.9 -38.8 -5.8 104 136 A V H X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.914 109.4 43.8 -64.0 -46.1 45.8 -36.0 -7.2 105 137 A A H X S+ 0 0 12 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.822 111.5 54.7 -69.5 -33.8 45.1 -34.2 -3.9 106 138 A I H X S+ 0 0 71 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.949 112.8 43.0 -61.9 -46.7 48.8 -34.7 -2.8 107 139 A L H X S+ 0 0 109 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.820 110.3 55.8 -69.9 -33.9 49.9 -33.0 -6.0 108 140 A A H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.935 108.9 47.7 -62.3 -43.6 47.2 -30.3 -5.7 109 141 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.928 113.1 49.9 -62.7 -41.3 48.5 -29.4 -2.3 110 142 A D H X S+ 0 0 74 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.890 108.2 49.6 -65.3 -41.5 52.1 -29.3 -3.6 111 143 A I H X S+ 0 0 45 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.903 108.5 56.2 -68.6 -34.6 51.3 -27.1 -6.6 112 144 A L H X S+ 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104.3 50.1 -59.2 -49.9 33.6 -39.4 20.0 224 259 A R H 3<5S+ 0 0 99 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.909 110.2 50.5 -55.7 -45.2 32.5 -41.8 17.3 225 260 A E H 3<5S- 0 0 140 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.574 120.7-112.0 -70.7 -8.5 35.8 -41.3 15.4 226 261 A G T <<5S+ 0 0 29 -3,-1.4 2,-0.7 -4,-0.5 -3,-0.2 0.656 72.0 139.8 85.2 16.1 37.6 -42.1 18.7 227 262 A V < - 0 0 61 -5,-3.0 2,-0.8 -6,-0.2 -1,-0.3 -0.848 37.2-160.4 -95.2 110.9 38.9 -38.5 19.1 228 263 A F - 0 0 52 -2,-0.7 -70,-0.1 -3,-0.1 -5,-0.0 -0.818 12.8-165.7 -95.5 108.1 38.6 -37.3 22.7 229 264 A T >> - 0 0 3 -2,-0.8 4,-2.4 -22,-0.1 3,-0.8 -0.147 40.3 -71.8 -85.5-177.3 38.8 -33.5 23.0 230 265 A L H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.827 127.6 49.3 -46.5 -50.9 39.3 -31.3 26.0 231 266 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.895 115.1 46.3 -62.3 -34.3 36.1 -31.8 27.9 232 267 A V H <> S+ 0 0 0 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.893 111.3 51.6 -71.3 -41.2 36.4 -35.6 27.5 233 268 A L H < S+ 0 0 20 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.903 111.5 47.4 -64.5 -43.1 40.0 -35.5 28.6 234 269 A Y H >X S+ 0 0 28 -4,-2.6 3,-1.1 -5,-0.2 4,-0.6 0.923 111.7 49.8 -60.8 -43.8 39.1 -33.5 31.7 235 270 A A H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.3 -2,-0.2 0.918 105.6 56.9 -64.8 -42.1 36.2 -35.8 32.6 236 271 A L T 3< S+ 0 0 34 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.653 103.4 57.3 -59.8 -15.7 38.4 -38.9 32.2 237 272 A R T <4 S+ 0 0 165 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.640 82.9 112.2 -88.2 -21.6 40.7 -37.3 34.9 238 273 A E << - 0 0 41 -3,-1.5 2,-1.5 -4,-0.6 -3,-0.0 -0.292 64.1-140.8 -67.4 138.3 38.1 -37.0 37.6 239 274 A D S S+ 0 0 161 4,-0.1 -1,-0.1 -2,-0.1 -3,-0.1 -0.491 70.9 101.8 -91.2 66.0 38.2 -39.0 40.8 240 275 A T S > S- 0 0 52 -2,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.861 89.9 -99.1-139.3 169.6 34.4 -39.4 40.8 241 276 A P H > S+ 0 0 115 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.885 125.1 50.0 -61.6 -38.2 32.0 -42.2 39.8 242 277 A V H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.903 109.9 49.3 -67.3 -42.5 31.4 -40.5 36.5 243 278 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 112.9 49.4 -59.6 -44.2 35.2 -40.2 35.8 244 279 A A H X S+ 0 0 36 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.905 111.0 47.4 -64.3 -42.7 35.5 -43.9 36.7 245 280 A E H X S+ 0 0 83 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.860 110.9 52.3 -68.6 -33.8 32.7 -45.1 34.5 246 281 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.880 107.8 51.7 -67.9 -38.9 34.1 -43.0 31.6 247 282 A R H < S+ 0 0 94 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.906 110.7 48.7 -62.2 -40.9 37.5 -44.5 32.0 248 283 A D H < S+ 0 0 132 -4,-1.8 4,-0.3 1,-0.2 3,-0.2 0.791 119.1 37.5 -72.7 -29.3 36.0 -48.0 31.8 249 284 A I H >< S+ 0 0 38 -4,-1.6 2,-1.8 1,-0.2 3,-1.0 0.848 101.6 71.3 -85.3 -38.8 33.9 -47.3 28.7 250 285 A L T 3< S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.273 97.1 48.7 -87.0 52.6 36.3 -45.1 26.7 251 286 A T T 3 S+ 0 0 118 -2,-1.8 -1,-0.2 -3,-0.2 3,-0.2 0.276 98.7 74.1-149.2 -33.0 38.8 -47.8 25.7 252 287 A G S < S- 0 0 30 -3,-1.0 2,-0.1 -4,-0.3 -3,-0.1 0.125 102.3 -31.5 -77.2-167.4 36.5 -50.5 24.5 253 288 A P - 0 0 106 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.287 55.3-158.7 -54.1 116.5 34.4 -50.8 21.2 254 289 A L + 0 0 56 -3,-0.2 -4,-0.0 -2,-0.1 -30,-0.0 -0.904 56.0 81.9 -98.2 120.9 33.4 -47.4 20.0 255 290 A E + 0 0 130 -2,-0.6 -1,-0.1 1,-0.4 5,-0.1 -0.104 48.5 85.9-175.6 -90.5 30.4 -47.9 17.7 256 291 A D > - 0 0 92 1,-0.1 4,-1.6 -3,-0.1 3,-0.5 -0.026 68.6-125.0 -50.2 146.6 26.7 -48.3 18.6 257 292 A D H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.736 105.8 62.3 -65.0 -25.2 24.6 -45.2 19.1 258 293 A E H > S+ 0 0 165 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.871 104.8 45.4 -73.3 -37.2 23.4 -46.3 22.6 259 294 A T H > S+ 0 0 47 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.883 113.1 51.5 -70.5 -39.6 26.9 -46.3 24.0 260 295 A V H X S+ 0 0 12 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.934 110.6 47.8 -61.2 -46.2 27.7 -43.0 22.4 261 296 A N H X S+ 0 0 96 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.763 110.2 52.2 -69.5 -25.9 24.5 -41.5 23.9 262 297 A H H X S+ 0 0 82 -4,-1.2 4,-3.1 2,-0.2 -1,-0.2 0.931 110.3 48.0 -73.9 -47.6 25.3 -42.9 27.3 263 298 A V H X S+ 0 0 4 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.928 109.1 54.3 -53.5 -50.3 28.8 -41.4 27.2 264 299 A L H X S+ 0 0 21 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.918 110.7 46.2 -53.0 -44.7 27.3 -38.0 26.1 265 300 A E H X S+ 0 0 99 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.952 110.9 51.6 -64.6 -44.9 25.1 -38.1 29.1 266 301 A L H >X S+ 0 0 4 -4,-3.1 3,-1.1 1,-0.2 4,-0.8 0.944 108.4 52.4 -54.1 -47.2 27.9 -39.1 31.4 267 302 A L H >< S+ 0 0 1 -4,-3.3 3,-0.9 1,-0.3 6,-0.4 0.886 105.9 53.9 -58.3 -37.5 29.9 -36.1 30.1 268 303 A S H 3< S+ 0 0 65 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.748 109.5 48.9 -69.0 -20.7 27.0 -33.8 30.8 269 304 A Q H << S+ 0 0 110 -4,-1.2 -1,-0.3 -3,-1.1 -2,-0.2 0.556 104.2 78.8 -91.3 -10.5 27.1 -35.1 34.4 270 305 A S S << S- 0 0 20 -3,-0.9 3,-0.2 -4,-0.8 4,-0.2 -0.190 88.5-115.3 -89.9-178.0 30.9 -34.5 34.7 271 306 A G S > S+ 0 0 35 1,-0.1 4,-2.0 2,-0.1 5,-0.1 0.268 86.2 104.4 -99.2 12.0 32.9 -31.4 35.3 272 307 A G H > S+ 0 0 0 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.864 73.5 53.5 -63.7 -40.8 34.5 -31.6 31.8 273 308 A R H > S+ 0 0 78 -6,-0.4 4,-2.8 -3,-0.2 -1,-0.2 0.962 112.8 42.5 -60.0 -49.8 32.5 -28.9 30.1 274 309 A Q H > S+ 0 0 93 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.851 112.0 55.0 -70.6 -34.2 33.3 -26.3 32.7 275 310 A A H X S+ 0 0 26 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.922 112.1 43.8 -60.1 -43.9 36.9 -27.4 32.8 276 311 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.922 113.0 52.4 -66.3 -43.7 37.2 -26.8 29.0 277 312 A L H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.870 106.1 52.6 -61.0 -39.3 35.3 -23.5 29.3 278 313 A D H X S+ 0 0 84 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.836 108.0 52.5 -65.4 -32.1 37.7 -22.3 32.0 279 314 A E H X S+ 0 0 27 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.919 107.1 52.1 -68.6 -40.7 40.5 -23.1 29.6 280 315 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.900 108.8 51.3 -57.4 -40.0 38.7 -21.0 27.0 281 316 A Y H X S+ 0 0 57 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.848 105.3 54.9 -68.9 -35.5 38.5 -18.2 29.5 282 317 A R H X S+ 0 0 110 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.893 110.3 45.9 -63.9 -41.6 42.3 -18.4 30.1 283 318 A Y H X S+ 0 0 24 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.843 109.5 55.2 -68.2 -33.5 42.9 -18.0 26.4 284 319 A M H X S+ 0 0 16 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.885 106.5 51.1 -67.2 -36.0 40.5 -15.1 26.3 285 320 A D H X S+ 0 0 111 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.912 111.2 48.1 -64.2 -45.3 42.5 -13.5 29.1 286 321 A I H X S+ 0 0 62 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.950 110.7 50.7 -56.1 -51.6 45.6 -14.0 27.0 287 322 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 3,-0.3 0.923 111.4 48.6 -50.4 -47.9 43.8 -12.6 23.9 288 323 A N H X S+ 0 0 48 -4,-2.6 4,-1.5 1,-0.3 -1,-0.2 0.871 107.5 54.8 -66.2 -38.7 42.8 -9.5 25.9 289 324 A A H < S+ 0 0 51 -4,-2.3 4,-0.4 2,-0.2 -1,-0.3 0.832 109.1 48.7 -60.0 -34.8 46.3 -9.0 27.2 290 325 A E H >< S+ 0 0 28 -4,-1.9 3,-1.8 -3,-0.3 -2,-0.2 0.923 108.2 51.9 -73.0 -42.8 47.5 -8.9 23.6 291 326 A L H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.822 98.1 69.8 -60.8 -28.2 44.9 -6.4 22.5 292 327 A D T 3< S+ 0 0 123 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.768 92.3 58.0 -55.5 -28.4 46.1 -4.3 25.5 293 328 A R T < S+ 0 0 72 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.489 97.7 78.2 -82.7 -3.2 49.3 -3.8 23.6 294 329 A L S < S- 0 0 7 -3,-2.0 2,-0.1 -4,-0.2 3,-0.1 -0.752 90.2 -97.0-109.8 152.8 47.4 -2.2 20.6 295 330 A P - 0 0 63 0, 0.0 5,-0.3 0, 0.0 -2,-0.1 -0.425 45.7-100.5 -70.0 140.9 45.9 1.3 20.3 296 331 A D + 0 0 132 -2,-0.1 2,-0.3 -4,-0.1 3,-0.1 -0.288 66.4 127.6 -60.2 141.0 42.3 1.7 21.0 297 332 A S S > S- 0 0 49 1,-0.1 4,-1.8 -3,-0.1 5,-0.2 -0.950 73.5 -90.2 176.0 165.2 40.2 1.8 17.8 298 333 A T H > S+ 0 0 69 -2,-0.3 4,-2.1 1,-0.2 -294,-0.2 0.821 124.5 56.6 -67.4 -29.9 37.2 0.2 16.2 299 334 A V H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 105.0 51.1 -66.4 -43.9 39.5 -2.4 14.6 300 335 A K H > S+ 0 0 5 -5,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.914 113.0 45.9 -54.1 -44.9 40.8 -3.4 18.1 301 336 A E H X S+ 0 0 71 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.809 107.9 56.3 -72.3 -32.2 37.2 -3.8 19.3 302 337 A A H X S+ 0 0 8 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.920 110.7 45.6 -63.4 -42.2 36.2 -5.7 16.2 303 338 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.932 112.1 50.4 -64.6 -45.4 39.0 -8.2 17.0 304 339 A R H X S+ 0 0 55 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.920 111.6 49.2 -56.7 -44.2 37.9 -8.3 20.6 305 340 A N H X S+ 0 0 88 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.844 103.3 59.6 -65.7 -36.1 34.4 -9.0 19.5 306 341 A L H X S+ 0 0 40 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.915 113.9 38.3 -55.1 -44.3 35.4 -11.7 17.2 307 342 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.932 117.5 49.2 -73.3 -47.7 36.9 -13.5 20.2 308 343 A T H X S+ 0 0 36 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.881 108.3 52.8 -61.6 -42.9 34.1 -12.6 22.6 309 344 A F H X S+ 0 0 146 -4,-3.1 4,-0.6 2,-0.2 -1,-0.2 0.874 110.1 49.4 -61.4 -38.9 31.3 -13.6 20.2 310 345 A T H >< S+ 0 0 10 -4,-1.1 3,-1.3 -5,-0.3 4,-0.4 0.952 110.0 50.2 -64.7 -49.2 32.9 -17.0 19.9 311 346 A V H >X S+ 0 0 9 -4,-2.4 3,-2.1 1,-0.3 4,-1.2 0.913 104.6 59.3 -56.1 -42.9 33.3 -17.4 23.6 312 347 A K H 3< S+ 0 0 136 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.629 85.7 75.9 -64.6 -17.9 29.6 -16.5 24.1 313 348 A R T << S+ 0 0 131 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.775 114.8 21.7 -60.1 -23.9 28.5 -19.5 21.9 314 349 A V T <4 S- 0 0 7 -3,-2.1 2,-0.3 -4,-0.4 -2,-0.2 0.549 131.4 -28.3-124.3 -11.3 29.3 -21.6 25.0 315 350 A G < 0 0 18 -4,-1.2 -1,-0.4 1,-0.1 0, 0.0 -0.975 360.0 360.0 177.0 177.1 29.2 -19.3 28.1 316 351 A E 0 0 203 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.487 360.0 360.0-122.0 360.0 29.6 -15.8 29.6