==== 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 1YHL . 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, . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 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 . 5 1.4 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 4 0 1 0 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 . 1 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 0 146 0, 0.0 4,-1.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 161.5 -10.4 3.3 171.1 2 2 A A T 4 + 0 0 37 2,-0.2 2,-1.6 3,-0.2 0, 0.0 -0.421 360.0 74.3 -83.4-149.3 -12.1 5.6 168.7 3 3 A S T > S+ 0 0 15 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.859 111.9 46.6 59.4 -70.5 -12.4 8.7 169.7 4 4 A M H > S+ 0 0 59 -2,-1.6 4,-2.2 1,-0.3 -2,-0.2 0.838 111.4 46.1 -71.3 -34.6 -8.8 8.1 168.6 5 5 A E H X S+ 0 0 128 -4,-1.5 4,-1.5 2,-0.2 -1,-0.3 0.852 114.2 51.1 -63.8 -35.9 -9.4 6.3 165.3 6 6 A R H > S+ 0 0 150 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.919 109.9 49.7 -65.4 -43.8 -11.9 9.0 164.5 7 7 A F H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 3,-0.5 0.908 110.2 50.6 -57.1 -45.2 -9.2 11.6 165.4 8 8 A L H X S+ 0 0 33 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.779 101.9 61.7 -66.4 -28.4 -6.8 9.8 163.1 9 9 A S H X S+ 0 0 52 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.866 102.5 50.8 -65.0 -32.1 -9.4 9.9 160.3 10 10 A V H X S+ 0 0 7 -4,-1.2 4,-2.9 -3,-0.5 5,-0.2 0.890 104.0 57.8 -72.1 -39.0 -9.2 13.7 160.5 11 11 A Y H X S+ 0 0 2 -4,-1.6 4,-3.3 1,-0.2 5,-0.3 0.948 104.0 53.3 -53.1 -45.2 -5.4 13.4 160.2 12 12 A D H X S+ 0 0 94 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.911 110.0 46.8 -55.7 -42.3 -6.1 11.5 156.9 13 13 A E H X S+ 0 0 86 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.925 113.9 47.4 -66.3 -46.5 -8.3 14.4 155.6 14 14 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.939 111.4 50.3 -62.3 -46.9 -5.7 17.0 156.6 15 15 A Q H X S+ 0 0 22 -4,-3.3 4,-3.0 -5,-0.2 5,-0.3 0.934 112.5 47.9 -57.6 -44.0 -2.8 15.1 155.0 16 16 A A H X S+ 0 0 43 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.923 111.6 49.3 -66.2 -39.4 -4.8 14.7 151.8 17 17 A F H X S+ 0 0 43 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.945 114.3 46.0 -62.9 -46.0 -5.7 18.4 151.7 18 18 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.933 116.7 42.3 -63.2 -44.2 -2.1 19.4 152.3 19 19 A L H X S+ 0 0 23 -4,-3.0 4,-1.3 -5,-0.2 -1,-0.2 0.845 112.9 52.5 -74.7 -31.2 -0.6 17.1 149.8 20 20 A D H X S+ 0 0 98 -4,-2.6 4,-3.2 -5,-0.3 3,-0.4 0.935 109.6 51.8 -68.7 -39.7 -3.3 17.8 147.1 21 21 A Q H X>S+ 0 0 46 -4,-2.4 4,-3.5 -5,-0.3 5,-0.9 0.907 105.1 54.4 -59.1 -42.8 -2.5 21.5 147.7 22 22 A L H X5S+ 0 0 27 -4,-1.9 6,-2.4 3,-0.2 4,-0.8 0.868 114.8 41.1 -59.3 -34.7 1.2 20.9 147.1 23 23 A Q H X5S+ 0 0 131 -4,-1.3 4,-0.5 -3,-0.4 -2,-0.2 0.939 121.6 40.2 -78.8 -46.6 0.4 19.2 143.8 24 24 A S H <5S+ 0 0 75 -4,-3.2 -2,-0.2 1,-0.1 -3,-0.2 0.842 134.5 15.5 -74.0 -33.7 -2.2 21.7 142.7 25 25 A K H <5S+ 0 0 153 -4,-3.5 -3,-0.2 -5,-0.3 -1,-0.1 0.643 126.0 46.1-113.9 -18.6 -0.6 25.0 143.9 26 26 A Y H < - 0 0 50 1,-0.1 4,-2.4 -2,-0.0 3,-0.3 -0.575 26.0-109.2 -88.2 157.2 6.4 16.2 141.9 30 30 A P H > S+ 0 0 109 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.835 116.7 53.1 -59.5 -31.8 5.0 12.8 143.1 31 31 A N H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.879 110.5 44.9 -72.9 -36.0 8.2 11.7 144.6 32 32 A R H > S+ 0 0 161 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.840 111.9 55.4 -69.7 -31.6 8.7 14.8 146.7 33 33 A A H X S+ 0 0 20 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.934 108.1 47.8 -61.1 -44.4 5.0 14.5 147.7 34 34 A R H X S+ 0 0 143 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.905 109.0 53.1 -65.9 -40.4 5.8 11.0 148.9 35 35 A Y H X S+ 0 0 64 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.957 111.5 45.9 -58.5 -46.1 8.8 12.1 150.8 36 36 A L H X S+ 0 0 18 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.869 110.6 54.9 -69.8 -30.2 6.6 14.8 152.6 37 37 A R H X S+ 0 0 92 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.929 112.1 41.1 -61.9 -48.2 3.9 12.2 153.2 38 38 A I H X S+ 0 0 49 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.886 113.7 55.3 -69.2 -39.9 6.3 9.8 155.0 39 39 A M H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 5,-0.3 0.962 110.3 44.8 -53.6 -49.7 7.9 12.8 156.7 40 40 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.4 0.938 115.8 47.2 -63.0 -45.6 4.5 13.8 158.1 41 41 A D H X S+ 0 0 48 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.908 114.3 46.9 -60.9 -40.4 3.6 10.2 159.1 42 42 A T H < S+ 0 0 31 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 121.5 35.1 -73.0 -36.4 7.0 9.6 160.8 43 43 A T H < S+ 0 0 10 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.752 125.7 36.5 -89.7 -27.4 7.0 12.9 162.8 44 44 A C H < S+ 0 0 0 -4,-2.4 3,-0.3 -5,-0.3 2,-0.2 0.689 109.2 58.8-100.2 -23.0 3.2 13.2 163.6 45 45 A L S < S+ 0 0 40 -4,-1.6 3,-0.1 -5,-0.4 -37,-0.0 -0.680 76.7 51.7-113.4 162.3 2.1 9.7 164.2 46 46 A G S S+ 0 0 56 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.341 82.9 100.2 100.9 -1.8 3.0 6.8 166.6 47 47 A G S S- 0 0 24 -3,-0.3 -1,-0.3 1,-0.0 -3,-0.0 -0.147 90.5 -91.7 -95.5-161.2 2.7 8.7 169.9 48 48 A K - 0 0 108 -3,-0.1 5,-0.0 -2,-0.1 -3,-0.0 0.539 41.9-133.8 -91.4 -12.0 -0.1 8.7 172.4 49 49 A Y > + 0 0 26 3,-0.1 4,-2.6 1,-0.1 5,-0.3 0.780 52.2 150.4 62.8 28.6 -2.0 11.8 170.9 50 50 A F H > + 0 0 21 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.921 69.3 45.2 -56.5 -50.7 -2.4 13.2 174.5 51 51 A R H > S+ 0 0 14 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.950 117.3 42.1 -60.0 -52.4 -2.3 16.8 173.3 52 52 A G H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.892 115.0 49.8 -66.5 -43.0 -4.7 16.4 170.4 53 53 A M H X S+ 0 0 16 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.735 101.4 65.9 -71.6 -19.7 -7.1 14.1 172.3 54 54 A T H X S+ 0 0 11 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.887 100.7 48.2 -64.9 -40.5 -7.1 16.7 175.1 55 55 A V H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.4 -2,-0.2 0.929 111.9 49.9 -68.2 -39.0 -8.9 19.2 172.8 56 56 A V H X S+ 0 0 5 -4,-1.5 4,-3.0 24,-0.2 5,-0.2 0.957 109.9 51.4 -59.0 -48.7 -11.4 16.5 171.8 57 57 A N H X S+ 0 0 43 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.917 111.2 46.7 -53.1 -47.1 -12.0 15.7 175.5 58 58 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.965 113.8 48.3 -64.7 -47.1 -12.7 19.3 176.4 59 59 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.912 110.5 50.8 -57.4 -45.3 -15.0 19.8 173.4 60 60 A E H X S+ 0 0 74 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.892 104.5 59.9 -63.2 -37.8 -16.9 16.5 174.2 61 61 A G H < S+ 0 0 20 -4,-2.4 4,-0.4 -5,-0.2 3,-0.2 0.934 110.4 40.0 -51.5 -52.2 -17.4 17.8 177.8 62 62 A F H >X S+ 0 0 19 -4,-1.8 3,-1.3 1,-0.2 4,-0.8 0.865 108.7 59.1 -71.0 -35.9 -19.2 20.9 176.6 63 63 A L H >< S+ 0 0 20 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.831 99.3 60.7 -60.1 -36.2 -21.2 19.2 173.9 64 64 A A T 3< S+ 0 0 87 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.713 116.3 31.0 -59.4 -25.3 -22.7 16.9 176.6 65 65 A V T <4 S+ 0 0 101 -3,-1.3 2,-0.4 -4,-0.4 -1,-0.2 0.342 106.8 79.2-117.1 2.2 -24.2 19.9 178.4 66 66 A T S << S- 0 0 57 -4,-0.8 2,-0.4 -3,-0.5 0, 0.0 -0.905 75.3-121.5-121.5 140.9 -25.0 22.4 175.6 67 67 A Q + 0 0 165 -2,-0.4 2,-0.3 -3,-0.0 -3,-0.1 -0.647 45.7 151.6 -82.4 130.6 -27.9 22.4 173.2 68 68 A H - 0 0 46 -2,-0.4 2,-0.1 -5,-0.1 -2,-0.0 -0.991 47.8-102.8-151.8 149.9 -26.8 22.2 169.5 69 69 A D > - 0 0 116 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.370 42.3-109.8 -61.0 158.6 -28.2 21.0 166.3 70 70 A E H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 119.7 52.3 -58.9 -48.6 -26.7 17.7 165.1 71 71 A A H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.852 107.8 53.0 -59.0 -34.8 -24.8 19.3 162.3 72 72 A T H > S+ 0 0 37 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.913 107.2 51.5 -64.5 -47.6 -23.3 21.8 164.8 73 73 A K H X S+ 0 0 55 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.910 109.4 50.5 -50.7 -49.1 -22.1 18.9 167.0 74 74 A E H X S+ 0 0 124 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.884 111.3 48.3 -59.8 -42.3 -20.4 17.4 164.0 75 75 A R H X S+ 0 0 87 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.911 110.1 51.0 -65.6 -43.1 -18.7 20.6 163.2 76 76 A I H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.925 111.0 47.7 -62.8 -47.0 -17.5 21.2 166.7 77 77 A L H X S+ 0 0 63 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.907 113.2 48.9 -58.6 -42.4 -16.0 17.7 166.9 78 78 A H H X S+ 0 0 51 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.922 111.3 48.8 -66.3 -44.2 -14.3 18.1 163.5 79 79 A D H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.864 109.2 54.0 -58.8 -42.3 -12.9 21.5 164.6 80 80 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.902 110.8 47.0 -57.4 -44.2 -11.6 19.9 167.9 81 81 A C H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.914 113.7 45.2 -65.3 -46.2 -9.8 17.2 165.8 82 82 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.919 115.0 48.6 -64.1 -39.1 -8.3 19.7 163.4 83 83 A G H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.894 110.4 52.9 -66.8 -40.7 -7.3 22.0 166.4 84 84 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.2 0.935 108.4 49.8 -61.1 -46.3 -5.8 18.8 168.0 85 85 A W H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.842 102.2 60.6 -59.1 -37.4 -3.8 18.1 164.9 86 86 A M H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.901 110.3 42.6 -54.9 -42.2 -2.4 21.6 164.8 87 87 A I H X S+ 0 0 0 -4,-1.4 4,-2.9 -3,-0.2 -2,-0.2 0.888 111.7 52.9 -71.3 -41.5 -0.9 21.0 168.3 88 88 A E H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.873 113.5 45.0 -59.6 -38.2 0.3 17.5 167.4 89 89 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.807 110.8 52.4 -78.0 -30.3 2.1 19.0 164.3 90 90 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.927 112.4 46.9 -66.9 -42.2 3.5 21.9 166.4 91 91 A Q H X S+ 0 0 11 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.928 109.2 54.3 -58.7 -45.0 4.8 19.3 168.8 92 92 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.876 106.8 51.7 -55.6 -43.2 6.2 17.3 165.8 93 93 A H H X S+ 0 0 15 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.918 111.8 45.6 -58.3 -54.1 8.1 20.4 164.7 94 94 A Y H X S+ 0 0 19 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.890 112.7 50.3 -60.7 -37.9 9.7 20.8 168.2 95 95 A L H X S+ 0 0 24 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.886 107.4 53.3 -70.8 -40.4 10.6 17.1 168.5 96 96 A V H X S+ 0 0 7 -4,-2.3 4,-1.2 -5,-0.2 18,-0.2 0.943 117.9 36.7 -57.3 -50.1 12.3 17.0 165.1 97 97 A E H X S+ 0 0 31 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.899 115.1 55.6 -71.7 -35.7 14.5 20.0 166.0 98 98 A D H X S+ 0 0 23 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.913 103.2 55.2 -62.1 -44.3 14.9 18.9 169.6 99 99 A D H X>S+ 0 0 4 -4,-2.6 5,-2.2 1,-0.2 4,-0.7 0.882 110.5 45.9 -60.6 -36.2 16.3 15.5 168.6 100 100 A I H ><5S+ 0 0 37 -4,-1.2 3,-0.6 1,-0.2 -1,-0.2 0.906 115.0 46.7 -66.3 -48.6 19.0 17.2 166.5 101 101 A M H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.800 116.8 43.8 -68.0 -27.4 19.8 19.6 169.3 102 102 A D H 3<5S- 0 0 15 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.527 103.9-126.5 -91.9 -8.3 19.9 16.8 171.9 103 103 A G T <<5 + 0 0 43 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.849 50.2 169.1 61.6 40.7 21.9 14.3 169.8 104 104 A S < - 0 0 12 -5,-2.2 -1,-0.2 -6,-0.2 8,-0.1 -0.418 30.0-161.3 -85.6 161.4 19.1 11.7 170.3 105 105 A V + 0 0 54 160,-0.4 7,-1.7 1,-0.2 2,-0.4 0.758 67.1 37.2-112.4 -28.5 18.9 8.4 168.5 106 106 A M E +A 111 0A 37 5,-0.3 159,-0.6 159,-0.2 2,-0.3 -0.962 49.4 176.5-134.9 143.1 15.3 7.1 168.9 107 107 A R E > S-A 110 0A 44 3,-3.2 3,-1.9 -2,-0.4 157,-0.2 -0.977 79.8 -5.2-145.0 128.1 11.9 8.7 169.0 108 108 A R T 3 S- 0 0 61 -2,-0.3 156,-0.2 1,-0.3 155,-0.1 0.816 130.9 -57.4 54.5 34.2 8.6 6.6 169.2 109 109 A G T 3 S+ 0 0 51 154,-2.5 -1,-0.3 1,-0.3 155,-0.1 0.525 124.1 89.0 75.5 12.4 10.7 3.4 168.9 110 110 A K E < S-A 107 0A 123 -3,-1.9 -3,-3.2 153,-0.4 -1,-0.3 -0.848 90.8 -74.7-127.8 167.3 12.2 4.5 165.6 111 111 A P E -A 106 0A 69 0, 0.0 -5,-0.3 0, 0.0 5,-0.1 -0.335 59.1 -95.7 -56.8 140.4 15.3 6.5 164.6 112 112 A C > - 0 0 0 -7,-1.7 3,-1.0 1,-0.1 4,-0.4 -0.229 41.8-109.4 -41.4 142.8 15.0 10.2 165.1 113 113 A W G > S+ 0 0 13 1,-0.2 3,-1.7 2,-0.2 7,-0.4 0.905 119.0 55.1 -52.5 -45.0 13.9 11.7 161.8 114 114 A Y G 3 S+ 0 0 29 1,-0.3 6,-0.9 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X S+ 0 0 65 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.849 111.4 53.5 -71.6 -38.6 31.6 12.5 192.5 293 293 A F H >X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 3,-1.4 0.971 109.5 49.1 -55.8 -54.8 28.6 13.9 190.6 294 294 A K H 3< S+ 0 0 90 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 107.3 54.6 -55.4 -38.3 30.7 16.7 189.3 295 295 A A H 3< S+ 0 0 67 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.682 122.5 27.4 -69.8 -13.0 33.6 14.3 188.3 296 296 A N H X< S+ 0 0 24 -3,-1.4 3,-0.6 -4,-0.8 -2,-0.2 0.625 89.3 109.0-123.6 -21.4 31.1 12.3 186.1 297 297 A Y T 3< S+ 0 0 6 -4,-2.7 -27,-0.1 1,-0.2 -28,-0.1 -0.377 77.4 18.8 -66.6 141.7 28.2 14.4 184.9 298 298 A G T 3 S+ 0 0 18 -29,-1.1 2,-0.4 1,-0.3 -28,-0.2 0.829 88.7 122.6 78.4 35.5 27.8 15.5 181.2 299 299 A D < - 0 0 58 -3,-0.6 -1,-0.3 2,-0.2 6,-0.2 -0.998 60.6-140.2-130.3 137.0 30.1 12.9 179.5 300 300 A K + 0 0 186 -2,-0.4 -30,-0.1 -30,-0.2 -1,-0.1 0.692 69.2 117.1 -58.2 -25.9 29.2 10.4 176.8 301 301 A D > - 0 0 68 1,-0.2 4,-2.5 -31,-0.1 3,-0.5 -0.258 63.7-145.1 -55.0 118.4 31.5 7.8 178.5 302 302 A P H > S+ 0 0 105 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.787 98.9 55.1 -59.9 -26.9 29.2 4.9 179.6 303 303 A A H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.894 109.8 47.0 -73.5 -37.7 31.3 4.4 182.8 304 304 A K H > S+ 0 0 70 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.937 111.5 50.2 -67.0 -44.2 30.7 8.0 183.7 305 305 A V H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.908 108.5 53.6 -56.3 -46.1 27.0 7.8 183.0 306 306 A A H X S+ 0 0 58 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.894 105.5 53.5 -60.4 -40.5 26.7 4.6 185.1 307 307 A V H X S+ 0 0 32 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.920 108.6 48.9 -58.5 -46.3 28.3 6.4 188.1 308 308 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.955 111.9 49.0 -59.1 -48.7 25.7 9.2 187.9 309 309 A K H X S+ 0 0 78 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.885 111.6 49.9 -56.6 -43.8 22.9 6.6 187.7 310 310 A R H X S+ 0 0 92 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.928 109.3 50.6 -57.6 -48.5 24.4 4.8 190.7 311 311 A L H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.935 111.4 50.1 -56.4 -42.8 24.6 8.1 192.6 312 312 A Y H <>S+ 0 0 1 -4,-2.6 5,-1.2 2,-0.2 -2,-0.2 0.915 111.0 47.0 -60.5 -50.3 20.9 8.7 191.7 313 313 A S H ><5S+ 0 0 75 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.917 114.3 47.7 -54.6 -48.3 19.8 5.2 192.9 314 314 A E H 3<5S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.793 102.1 64.1 -67.6 -27.8 21.7 5.6 196.2 315 315 A A T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.452 104.3-130.9 -78.1 0.9 20.3 9.1 196.7 316 316 A N T X>5 + 0 0 95 -3,-1.5 3,-1.2 1,-0.1 4,-0.8 0.896 40.8 169.4 54.2 49.2 16.9 7.5 197.1 317 317 A L H 3>< + 0 0 1 -5,-1.2 4,-2.9 1,-0.3 -1,-0.1 0.589 66.9 75.4 -70.4 -9.8 15.2 10.0 194.5 318 318 A Q H 3> S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.870 93.4 51.9 -74.4 -31.1 12.1 7.8 194.5 319 319 A A H <> S+ 0 0 46 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.909 111.4 46.7 -61.2 -41.2 11.4 9.3 198.0 320 320 A D H X S+ 0 0 46 -4,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.920 110.8 51.2 -70.2 -41.8 11.8 12.7 196.5 321 321 A F H X S+ 0 0 35 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.896 110.6 50.5 -56.5 -41.4 9.6 11.9 193.5 322 322 A A H X S+ 0 0 51 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.888 111.2 46.5 -66.1 -41.4 6.9 10.6 195.9 323 323 A A H X S+ 0 0 65 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.918 114.6 47.6 -69.9 -44.7 6.9 13.7 198.0 324 324 A Y H X S+ 0 0 38 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.942 113.2 49.0 -53.5 -52.9 6.9 16.0 194.8 325 325 A E H X S+ 0 0 53 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.897 109.4 51.6 -55.5 -43.0 4.0 13.9 193.3 326 326 A A H X S+ 0 0 58 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.846 109.9 50.1 -64.9 -33.7 2.0 14.1 196.5 327 327 A E H X S+ 0 0 83 -4,-1.5 4,-2.7 -3,-0.2 -2,-0.2 0.926 112.0 46.1 -68.1 -46.4 2.4 17.8 196.5 328 328 A V H X S+ 0 0 2 -4,-2.4 4,-3.4 2,-0.2 5,-0.4 0.906 108.2 56.4 -64.9 -39.2 1.2 18.2 192.9 329 329 A V H X S+ 0 0 34 -4,-3.1 4,-2.2 -5,-0.2 5,-0.2 0.960 110.2 47.7 -56.2 -40.9 -1.7 15.8 193.5 330 330 A R H X S+ 0 0 178 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.942 115.4 42.9 -62.4 -52.5 -2.7 18.3 196.3 331 331 A E H X S+ 0 0 85 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.851 113.9 49.5 -66.3 -40.1 -2.3 21.3 194.2 332 332 A V H X S+ 0 0 0 -4,-3.4 4,-2.7 2,-0.2 -1,-0.2 0.903 111.7 48.5 -65.0 -45.5 -4.0 19.9 191.0 333 333 A E H X S+ 0 0 111 -4,-2.2 4,-2.4 -5,-0.4 -2,-0.2 0.917 110.7 52.3 -61.1 -40.6 -7.0 18.7 193.0 334 334 A S H X S+ 0 0 71 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.910 111.1 47.0 -62.9 -41.5 -7.2 22.2 194.7 335 335 A L H X S+ 0 0 12 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.913 109.6 53.0 -68.7 -38.6 -7.2 23.8 191.2 336 336 A I H X S+ 0 0 14 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.925 107.7 51.9 -62.4 -43.8 -9.8 21.5 189.9 337 337 A E H < S+ 0 0 110 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.914 110.5 48.0 -59.4 -40.8 -12.0 22.4 192.9 338 338 A Q H >< S+ 0 0 106 -4,-2.1 3,-1.1 1,-0.2 4,-0.5 0.860 107.7 56.5 -65.2 -38.1 -11.6 26.1 192.1 339 339 A L H >X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 3,-0.7 0.816 96.5 65.1 -62.8 -31.6 -12.4 25.4 188.4 340 340 A K T 3< S+ 0 0 92 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.703 82.7 75.2 -67.8 -18.6 -15.7 23.9 189.3 341 341 A V T <4 S+ 0 0 119 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.923 120.7 10.2 -58.1 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