==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JAN-05 1YHK . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR S.B.GABELLI,J.S.MCLELLAN,A.MONTALVETTI,E.OLDFIELD,R.DOCAMPO, . 360 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 77.8 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 . 3 0.8 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 . 1 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 0 1 0 0 2 1 0 1 1 2 0 0 0 0 0 0 0 2 1 1 1 0 0 0 1 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 1 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 . 1 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 M > 0 0 173 0, 0.0 4,-1.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 124.2 -8.6 2.9 176.5 2 2 A A H > + 0 0 59 2,-0.2 4,-2.2 1,-0.1 5,-0.1 0.711 360.0 61.7 -73.2 -34.9 -10.8 4.7 173.8 3 3 A S H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.965 107.4 44.1 -46.0 -61.0 -9.1 8.0 174.9 4 4 A M H > S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.909 112.9 52.1 -48.8 -42.5 -5.7 6.4 173.8 5 5 A E H X S+ 0 0 137 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.860 108.6 48.9 -78.6 -36.9 -7.2 5.0 170.6 6 6 A R H X S+ 0 0 68 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.947 111.6 51.8 -59.1 -47.5 -8.7 8.4 169.6 7 7 A F H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.949 112.2 44.3 -53.7 -54.9 -5.3 10.0 170.3 8 8 A L H X S+ 0 0 66 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.862 109.1 54.8 -62.1 -35.0 -3.4 7.5 168.1 9 9 A S H X S+ 0 0 66 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.868 104.9 56.3 -71.9 -27.1 -5.9 7.6 165.2 10 10 A V H X S+ 0 0 4 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.898 100.9 58.1 -68.8 -31.0 -5.4 11.4 165.2 11 11 A Y H X S+ 0 0 4 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.960 104.8 49.3 -59.0 -46.8 -1.7 10.8 164.7 12 12 A D H X S+ 0 0 107 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.903 113.5 48.7 -62.0 -38.4 -2.4 8.8 161.5 13 13 A E H X S+ 0 0 87 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.962 112.4 45.3 -67.8 -45.0 -4.6 11.6 160.3 14 14 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.934 113.0 50.3 -65.8 -44.8 -2.1 14.4 161.1 15 15 A Q H X S+ 0 0 25 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.942 111.6 49.5 -57.1 -45.8 0.8 12.4 159.5 16 16 A A H X S+ 0 0 59 -4,-2.5 4,-2.6 -5,-0.3 5,-0.3 0.910 112.1 48.8 -62.3 -41.4 -1.4 11.8 156.3 17 17 A F H X S+ 0 0 33 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.953 113.4 45.1 -63.3 -48.6 -2.2 15.5 156.2 18 18 A L H X S+ 0 0 2 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.935 117.5 44.7 -63.0 -40.8 1.5 16.7 156.6 19 19 A L H X S+ 0 0 25 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.950 112.9 49.9 -70.5 -42.9 2.7 14.1 154.0 20 20 A D H X S+ 0 0 92 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.899 110.4 52.1 -60.2 -39.8 -0.0 14.8 151.5 21 21 A Q H X S+ 0 0 37 -4,-2.4 4,-2.4 -5,-0.3 5,-0.5 0.861 106.0 52.7 -64.1 -39.0 0.7 18.5 151.9 22 22 A L H X S+ 0 0 29 -4,-1.6 6,-2.2 3,-0.2 4,-1.3 0.899 113.7 44.9 -62.4 -42.1 4.4 18.0 151.2 23 23 A Q H < S+ 0 0 133 -4,-2.1 4,-0.4 4,-0.2 -2,-0.2 0.922 120.7 38.7 -62.6 -39.1 3.4 16.1 147.9 24 24 A S H < S+ 0 0 63 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.731 134.0 15.4 -95.4 -29.0 0.9 18.6 146.9 25 25 A K H < S+ 0 0 151 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.1 0.497 126.8 45.6-121.5 -8.4 2.4 21.9 147.8 26 26 A Y S < S- 0 0 136 -4,-1.3 -3,-0.2 -5,-0.5 -4,-0.1 0.239 97.2-123.6-123.6 7.5 6.2 21.3 148.4 27 27 A E + 0 0 181 -4,-0.4 -4,-0.2 1,-0.2 -3,-0.1 0.717 48.3 170.6 58.8 30.9 7.0 19.1 145.4 28 28 A I - 0 0 31 -6,-2.2 -1,-0.2 -9,-0.1 -2,-0.1 -0.374 26.8-135.0 -71.9 155.3 8.2 16.3 147.5 29 29 A D > - 0 0 50 -2,-0.0 4,-2.2 1,-0.0 3,-0.3 -0.636 26.3-104.1-104.6 160.3 9.0 13.0 145.9 30 30 A P H > S+ 0 0 107 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.802 115.1 53.2 -61.6 -35.2 7.9 9.6 147.4 31 31 A N H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.882 112.7 44.2 -72.0 -36.1 11.2 8.4 148.8 32 32 A R H > S+ 0 0 163 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.848 112.5 53.3 -69.1 -34.2 11.8 11.7 150.7 33 33 A A H X S+ 0 0 18 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.964 110.1 48.5 -63.4 -47.2 8.1 11.5 151.9 34 34 A R H X S+ 0 0 146 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.891 109.4 51.5 -57.4 -47.1 8.9 8.0 153.1 35 35 A Y H X S+ 0 0 58 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.940 112.2 47.1 -56.6 -46.0 12.1 9.2 154.9 36 36 A L H X S+ 0 0 17 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.922 110.5 52.5 -63.9 -33.6 10.0 11.9 156.7 37 37 A R H X S+ 0 0 92 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.947 112.2 45.5 -66.4 -43.6 7.3 9.4 157.6 38 38 A I H X S+ 0 0 47 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.918 112.2 51.2 -64.4 -40.4 9.9 7.2 159.2 39 39 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.958 110.4 49.2 -61.6 -48.7 11.5 10.1 160.9 40 40 A M H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 5,-0.4 0.961 114.2 44.9 -57.3 -51.7 8.1 11.1 162.3 41 41 A D H X S+ 0 0 45 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.885 114.6 48.0 -61.0 -37.1 7.3 7.6 163.6 42 42 A T H < S+ 0 0 50 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.872 120.7 35.2 -78.8 -31.2 10.7 7.1 165.1 43 43 A T H < S+ 0 0 10 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.683 125.8 35.5 -94.0 -20.8 10.9 10.4 166.9 44 44 A C H < S+ 0 0 2 -4,-2.2 2,-0.3 -5,-0.3 3,-0.3 0.653 107.5 64.4-104.1 -27.4 7.3 10.9 167.9 45 45 A L S < S+ 0 0 46 -4,-1.6 3,-0.1 -5,-0.4 0, 0.0 -0.736 75.5 53.6-105.8 155.0 6.0 7.4 168.7 46 46 A G S S+ 0 0 58 1,-0.4 -1,-0.1 -2,-0.3 -4,-0.0 0.196 81.1 96.4 109.7 -14.0 7.0 4.9 171.4 47 47 A G S S- 0 0 27 -3,-0.3 -1,-0.4 1,-0.0 -3,-0.0 -0.133 89.3 -93.1 -92.9-165.9 6.7 6.9 174.6 48 48 A K - 0 0 186 -3,-0.1 5,-0.0 -2,-0.0 -1,-0.0 0.645 41.8-134.7 -83.7 -16.7 3.8 7.1 177.1 49 49 A Y > + 0 0 28 3,-0.1 4,-2.9 39,-0.0 5,-0.3 0.734 51.5 152.3 65.2 27.8 2.2 10.1 175.5 50 50 A F H > + 0 0 36 1,-0.2 4,-1.5 2,-0.2 -1,-0.0 0.929 68.7 43.8 -55.7 -51.2 1.8 11.5 179.0 51 51 A R H > S+ 0 0 22 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.940 116.4 45.5 -63.3 -53.2 1.9 15.1 177.8 52 52 A G H >> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 3,-0.7 0.938 112.9 50.2 -52.2 -54.4 -0.5 14.7 174.8 53 53 A M H 3X S+ 0 0 18 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.766 99.5 66.2 -62.0 -23.6 -2.9 12.6 176.8 54 54 A T H 3X S+ 0 0 3 -4,-1.5 4,-2.2 -3,-0.3 -1,-0.2 0.870 101.5 49.1 -62.9 -42.8 -3.0 15.3 179.6 55 55 A V H < S+ 0 0 16 -4,-1.7 3,-1.1 1,-0.2 4,-0.3 0.817 108.5 62.4 -64.0 -28.0 -14.8 19.6 181.0 63 63 A L H >< S+ 0 0 26 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.864 96.9 58.3 -73.0 -32.9 -16.9 17.6 178.4 64 64 A A T 3< S+ 0 0 88 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.601 115.6 34.1 -72.9 -14.0 -18.6 15.7 181.2 65 65 A V T < S+ 0 0 96 -3,-1.1 2,-0.4 -4,-0.3 -1,-0.2 0.202 104.6 78.6-123.1 14.7 -20.0 18.9 182.9 66 66 A T S < S- 0 0 61 -3,-1.0 2,-0.4 -4,-0.3 -1,-0.0 -0.982 76.5-120.2-133.4 136.8 -20.7 21.2 179.9 67 67 A Q + 0 0 201 -2,-0.4 2,-0.3 -3,-0.0 -3,-0.1 -0.634 47.1 149.5 -81.2 130.4 -23.6 21.1 177.5 68 68 A H - 0 0 62 -2,-0.4 2,-0.1 -5,-0.1 -2,-0.0 -0.995 48.6-105.8-152.6 149.7 -22.6 20.6 173.8 69 69 A D >> - 0 0 126 -2,-0.3 4,-2.0 1,-0.1 3,-1.1 -0.450 43.5-108.7 -62.6 152.5 -24.0 19.1 170.7 70 70 A E H 3> S+ 0 0 118 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.871 120.2 56.4 -46.2 -49.1 -22.4 15.8 169.8 71 71 A A H 3> S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.764 108.0 49.5 -62.8 -29.2 -20.5 17.4 166.8 72 72 A T H <> S+ 0 0 37 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.864 107.4 53.2 -74.8 -44.7 -19.1 19.9 169.3 73 73 A K H X S+ 0 0 75 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.924 111.5 47.8 -51.5 -45.8 -17.9 17.2 171.7 74 74 A E H X S+ 0 0 76 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.851 110.4 49.6 -65.2 -42.4 -16.2 15.6 168.8 75 75 A R H X S+ 0 0 91 -4,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.862 111.7 49.1 -63.0 -41.7 -14.5 18.7 167.6 76 76 A I H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.898 113.0 46.5 -65.1 -41.5 -13.2 19.6 171.1 77 77 A L H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.919 113.4 49.5 -67.7 -44.3 -11.9 16.1 171.5 78 78 A H H X S+ 0 0 44 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.930 111.4 49.7 -53.8 -46.6 -10.3 16.3 168.0 79 79 A D H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.862 108.4 53.1 -63.7 -37.3 -8.8 19.6 169.0 80 80 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.899 109.6 47.7 -67.9 -32.8 -7.4 18.2 172.2 81 81 A C H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.915 113.1 47.7 -72.7 -42.4 -5.7 15.4 170.3 82 82 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.938 112.6 48.8 -66.2 -52.6 -4.2 17.7 167.8 83 83 A G H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.877 110.3 52.4 -48.2 -46.3 -3.0 20.0 170.5 84 84 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.880 107.7 51.6 -59.1 -40.3 -1.5 17.0 172.4 85 85 A W H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.789 102.8 59.5 -67.5 -33.4 0.3 16.0 169.2 86 86 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.924 108.5 44.5 -56.8 -45.7 1.7 19.5 169.0 87 87 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.922 111.9 51.3 -68.0 -37.7 3.2 19.0 172.3 88 88 A E H X S+ 0 0 8 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.876 111.8 48.3 -62.9 -37.4 4.6 15.5 171.5 89 89 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.871 109.1 52.7 -74.0 -32.9 6.2 16.8 168.4 90 90 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.944 111.4 47.5 -67.6 -42.6 7.7 19.7 170.3 91 91 A Q H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 3,-0.3 0.966 108.1 54.8 -62.9 -47.3 9.1 17.2 172.7 92 92 A A H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.873 106.3 52.4 -50.1 -41.4 10.4 15.1 169.8 93 93 A H H X S+ 0 0 16 -4,-2.4 4,-2.0 2,-0.2 -1,-0.3 0.895 109.9 48.5 -56.7 -50.5 12.2 18.1 168.5 94 94 A Y H X S+ 0 0 15 -4,-2.1 4,-2.8 -3,-0.3 -2,-0.2 0.899 112.0 49.0 -61.1 -42.3 13.9 18.6 171.9 95 95 A L H X S+ 0 0 20 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.877 110.2 49.0 -68.2 -44.2 14.9 15.0 172.1 96 96 A V H X S+ 0 0 7 -4,-2.5 4,-1.5 -5,-0.2 18,-0.2 0.927 118.2 41.2 -59.6 -44.3 16.5 14.8 168.6 97 97 A E H X S+ 0 0 27 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.884 115.6 49.5 -76.2 -40.8 18.5 17.9 169.2 98 98 A D H X S+ 0 0 30 -4,-2.8 4,-1.8 -5,-0.2 6,-0.2 0.859 106.8 53.1 -59.4 -46.3 19.4 17.1 172.7 99 99 A D H <>S+ 0 0 5 -4,-2.3 5,-2.2 1,-0.2 4,-0.3 0.889 113.4 46.6 -59.8 -40.5 20.6 13.6 171.9 100 100 A I H ><5S+ 0 0 29 -4,-1.5 3,-1.2 -5,-0.2 -2,-0.2 0.936 112.6 48.9 -63.9 -49.4 22.9 15.2 169.2 101 101 A M H 3<5S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.823 118.5 39.5 -60.0 -33.5 24.1 18.0 171.6 102 102 A D T 3<5S- 0 0 72 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.319 106.6-121.4 -97.2 -2.9 24.9 15.5 174.3 103 103 A G T < 5 - 0 0 44 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.839 47.5-178.7 56.7 34.6 26.4 12.8 172.1 104 104 A S < - 0 0 21 -5,-2.2 -1,-0.1 -6,-0.2 3,-0.1 -0.200 21.1-160.6 -65.3 156.7 23.7 10.3 173.4 105 105 A V + 0 0 65 1,-0.3 7,-1.9 6,-0.1 2,-0.3 0.815 63.5 22.8-108.3 -49.6 23.7 6.8 172.2 106 106 A M E -A 111 0A 75 5,-0.3 -1,-0.3 -7,-0.0 2,-0.3 -0.903 49.1-174.6-126.8 152.0 20.3 5.3 172.9 107 107 A R E > S-A 110 0A 71 3,-2.9 3,-1.8 -2,-0.3 157,-0.1 -0.945 78.4 -11.8-151.1 129.5 16.8 6.5 173.5 108 108 A R T 3 S- 0 0 93 -2,-0.3 155,-0.1 154,-0.3 156,-0.1 0.862 128.1 -54.1 35.0 55.9 13.9 4.2 174.4 109 109 A G T 3 S+ 0 0 44 154,-2.0 -1,-0.3 1,-0.2 155,-0.1 0.377 123.7 86.8 74.0 1.6 15.9 1.1 173.7 110 110 A K E < S-A 107 0A 148 -3,-1.8 -3,-2.9 153,-0.2 -1,-0.2 -0.774 89.5 -82.2-120.4 167.2 16.9 2.1 170.1 111 111 A P E -A 106 0A 60 0, 0.0 -5,-0.3 0, 0.0 5,-0.1 -0.389 55.3 -95.6 -64.6 144.9 19.7 4.3 168.7 112 112 A C > - 0 0 2 -7,-1.9 3,-1.9 1,-0.1 4,-0.5 -0.320 42.0-108.4 -52.1 147.0 19.2 8.0 168.9 113 113 A W G > S+ 0 0 16 1,-0.3 3,-1.7 2,-0.2 7,-0.3 0.836 117.0 58.8 -56.5 -42.0 17.9 9.2 165.5 114 114 A Y G 3 S+ 0 0 35 1,-0.3 6,-0.9 -18,-0.2 -1,-0.3 0.740 101.5 59.8 -64.3 -19.7 21.1 11.0 164.4 115 115 A R G < S+ 0 0 121 -3,-1.9 -1,-0.3 5,-0.1 -2,-0.2 0.568 71.8 113.5 -84.4 -5.8 22.8 7.6 164.7 116 116 A F S X> S- 0 0 60 -3,-1.7 3,-1.6 -4,-0.5 4,-1.0 -0.352 78.6-121.0 -60.1 141.7 20.6 5.8 162.2 117 117 A P T 34 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.827 109.1 44.0 -61.6 -36.7 23.0 4.9 159.3 118 118 A G T 34 S+ 0 0 65 1,-0.1 -2,-0.1 2,-0.0 -3,-0.1 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51.2 -70.4 -36.4 35.8 14.2 203.6 289 289 A Q H > S+ 0 0 47 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.909 108.9 51.7 -64.9 -39.0 32.8 13.1 201.6 290 290 A V H X S+ 0 0 37 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.923 110.4 49.1 -61.9 -46.0 32.8 16.5 199.7 291 291 A A H X S+ 0 0 61 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.881 111.8 47.9 -61.0 -41.7 36.5 16.1 198.9 292 292 A E H X S+ 0 0 67 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.888 109.7 52.6 -66.4 -43.3 36.0 12.5 197.6 293 293 A F H >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-1.4 0.947 110.3 49.9 -53.7 -51.3 33.0 13.7 195.5 294 294 A K H 3< S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.852 106.9 52.6 -58.8 -36.5 35.2 16.3 194.0 295 295 A A H 3< S+ 0 0 69 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.585 123.9 29.6 -73.3 -12.2 38.1 13.9 193.2 296 296 A N H X< S+ 0 0 22 -3,-1.4 3,-0.6 -4,-0.6 -2,-0.2 0.602 91.5 99.1-122.8 -20.3 35.5 11.7 191.3 297 297 A Y T 3< S+ 0 0 7 -4,-2.5 -27,-0.1 1,-0.2 3,-0.1 -0.513 82.2 22.6 -78.0 145.6 32.6 13.6 189.8 298 298 A G T 3 S+ 0 0 17 -29,-1.2 2,-0.4 1,-0.2 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2,-0.2 -1,-0.2 0.850 96.3 51.0 -73.4 -26.7 16.5 7.5 199.3 319 319 A A H <> S+ 0 0 48 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.810 107.3 49.2 -72.4 -34.8 15.6 9.0 202.6 320 320 A D H X S+ 0 0 48 -4,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.848 113.2 51.1 -72.2 -31.1 16.1 12.6 201.4 321 321 A F H X S+ 0 0 39 -4,-1.7 4,-3.4 2,-0.2 -2,-0.2 0.949 107.3 49.3 -67.5 -51.1 13.9 11.6 198.4 322 322 A A H X S+ 0 0 53 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.868 114.6 48.8 -53.5 -37.7 11.1 10.1 200.6 323 323 A A H X S+ 0 0 60 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.873 111.3 45.9 -71.2 -40.1 11.2 13.3 202.5 324 324 A Y H X S+ 0 0 42 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.922 113.2 53.1 -65.4 -45.6 11.1 15.6 199.4 325 325 A E H X S+ 0 0 48 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.902 107.1 51.0 -50.6 -49.6 8.3 13.3 198.1 326 326 A A H X S+ 0 0 61 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.846 111.5 47.6 -60.1 -44.1 6.3 13.8 201.3 327 327 A E H X S+ 0 0 86 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.893 111.6 49.4 -61.9 -45.6 6.7 17.6 201.1 328 328 A V H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.914 108.6 54.2 -58.4 -44.7 5.6 17.7 197.4 329 329 A V H X S+ 0 0 32 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.938 110.1 48.6 -54.6 -52.1 2.5 15.5 198.3 330 330 A R H X S+ 0 0 178 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.856 115.5 41.2 -52.7 -48.3 1.6 18.1 200.9 331 331 A E H X S+ 0 0 87 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.820 113.5 52.9 -76.1 -30.0 2.0 21.1 198.6 332 332 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.927 110.4 47.9 -70.5 -42.4 0.3 19.4 195.6 333 333 A E H X S+ 0 0 114 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.896 111.2 52.5 -67.1 -35.3 -2.8 18.5 197.7 334 334 A S H X S+ 0 0 71 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.895 109.5 46.8 -64.4 -42.4 -2.9 22.0 199.0 335 335 A L H X S+ 0 0 13 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.889 110.6 52.8 -69.5 -42.0 -2.8 23.5 195.4 336 336 A I H X S+ 0 0 14 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.921 107.9 53.0 -58.8 -38.1 -5.6 21.0 194.3 337 337 A E H X S+ 0 0 105 -4,-2.2 4,-0.7 1,-0.2 3,-0.4 0.959 109.3 47.8 -63.9 -40.7 -7.7 22.2 197.3 338 338 A Q H >X S+ 0 0 106 -4,-2.2 3,-0.7 1,-0.2 4,-0.5 0.844 107.7 55.5 -66.3 -34.4 -7.2 25.8 196.2 339 339 A L H 3X S+ 0 0 7 -4,-1.8 4,-2.6 1,-0.2 3,-0.4 0.796 95.1 68.4 -72.5 -26.2 -8.2 24.9 192.6 340 340 A K H 3< S+ 0 0 91 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.838 85.9 71.2 -59.7 -28.3 -11.5 23.4 193.8 341 341 A V H << S+ 0 0 114 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.957 116.6 17.2 -53.9 -53.9 -12.7 26.9 194.7 342 342 A K H < S+ 0 0 124 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.802 142.1 15.1 -95.7 -28.0 -13.1 28.0 191.1 343 343 A S X + 0 0 11 -4,-2.6 4,-2.4 1,-0.1 -1,-0.2 -0.676 47.5 178.5-151.6 102.8 -13.2 24.5 189.3 344 344 A P H > S+ 0 0 85 0, 0.0 4,-1.6 0, 0.0 -4,-0.1 0.752 90.2 54.4 -63.1 -28.0 -13.7 21.2 191.0 345 345 A T H > S+ 0 0 33 2,-0.2 4,-2.2 3,-0.2 5,-0.1 0.916 110.1 43.8 -72.8 -52.7 -13.5 19.5 187.6 346 346 A F H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 112.0 55.4 -57.7 -42.7 -10.1 21.0 186.6 347 347 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -8,-0.3 -2,-0.2 0.919 107.6 48.7 -53.1 -44.4 -8.8 20.3 190.2 348 348 A E 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358 A H H < S+ 0 0 71 -4,-3.0 2,-0.5 2,-0.1 -2,-0.2 0.791 100.7 69.0 -54.8 -32.8 3.6 9.9 191.7 359 359 A K < 0 0 117 -4,-1.5 -1,-0.0 -5,-0.2 0, 0.0 -0.808 360.0 360.0 -94.9 119.5 3.5 6.3 190.3 360 360 A R 0 0 129 -2,-0.5 -1,-0.2 -111,-0.0 -2,-0.1 0.036 360.0 360.0 169.5 360.0 6.7 5.3 188.2