==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-JUL-09 3ID0 . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR L.M.AMZEL,C.H.HUANG,S.B.GABELLI,E.OLDFIELD . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 79.0 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.8 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 3 0 0 1 1 0 0 2 0 1 0 2 1 0 0 0 0 0 0 3 1 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 . 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 0 197 0, 0.0 4,-0.8 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 137.7 -10.6 3.5 172.0 2 2 A A H > + 0 0 69 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.833 360.0 56.1 -70.7 -35.1 -13.3 4.5 169.5 3 3 A S H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.842 101.3 57.3 -66.8 -37.3 -12.8 8.3 170.0 4 4 A M H > S+ 0 0 33 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.811 105.1 51.8 -62.8 -34.0 -9.1 8.1 169.1 5 5 A E H X S+ 0 0 136 -4,-0.8 4,-0.5 -3,-0.2 -1,-0.2 0.793 107.2 52.2 -74.0 -29.8 -9.9 6.6 165.7 6 6 A R H X S+ 0 0 130 -4,-1.0 4,-0.7 2,-0.2 3,-0.3 0.860 110.4 47.7 -73.2 -38.6 -12.4 9.4 164.9 7 7 A F H >X S+ 0 0 3 -4,-1.7 4,-1.0 1,-0.2 3,-0.9 0.895 109.2 54.9 -63.1 -42.0 -9.8 12.1 165.7 8 8 A L H 3X S+ 0 0 39 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.661 98.7 63.0 -68.8 -18.4 -7.3 10.2 163.6 9 9 A S H 3X S+ 0 0 61 -4,-0.5 4,-1.2 -3,-0.3 -1,-0.2 0.779 98.1 54.5 -77.0 -29.4 -9.8 10.3 160.6 10 10 A V H S+ 0 0 26 -4,-1.9 4,-3.1 2,-0.2 5,-0.6 0.899 107.5 52.1 -63.6 -43.6 -2.9 22.1 147.9 22 22 A L H X5S+ 0 0 28 -4,-1.2 6,-1.6 3,-0.2 4,-1.3 0.910 114.6 42.6 -56.5 -45.6 0.8 21.4 147.3 23 23 A Q H <5S+ 0 0 136 -4,-1.4 4,-0.4 4,-0.2 -2,-0.2 0.913 121.8 38.3 -68.0 -45.0 -0.0 19.7 144.0 24 24 A S H <5S+ 0 0 86 -4,-2.9 -2,-0.2 1,-0.1 -3,-0.2 0.852 134.1 16.7 -80.0 -37.1 -2.6 22.2 142.8 25 25 A K H <5S+ 0 0 150 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.521 128.2 43.4-118.0 -8.5 -1.0 25.5 144.0 26 26 A Y S <> - 0 0 59 1,-0.1 4,-2.3 -2,-0.0 3,-1.1 -0.641 27.4-104.6 -88.6 151.2 6.0 16.4 142.0 30 30 A P H 3> S+ 0 0 111 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.797 118.4 50.4 -42.1 -48.1 4.6 13.0 143.1 31 31 A N H 3> S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.843 111.9 45.7 -64.7 -37.8 7.8 11.8 144.8 32 32 A R H <> S+ 0 0 166 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.831 112.4 52.1 -73.7 -33.5 8.2 15.0 146.9 33 33 A A H X S+ 0 0 19 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.908 110.3 49.2 -62.7 -43.1 4.5 14.8 147.8 34 34 A R H X S+ 0 0 133 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.914 108.6 54.0 -59.3 -46.3 5.2 11.2 148.9 35 35 A Y H X S+ 0 0 60 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.936 110.3 44.4 -54.5 -55.0 8.2 12.4 151.0 36 36 A L H X S+ 0 0 18 -4,-2.1 4,-3.3 2,-0.2 -1,-0.2 0.844 110.2 56.1 -61.6 -36.4 6.2 15.0 152.9 37 37 A R H X S+ 0 0 98 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.942 111.7 43.0 -58.9 -47.7 3.4 12.5 153.4 38 38 A I H X S+ 0 0 46 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.902 114.6 51.2 -61.3 -43.8 5.9 10.1 155.0 39 39 A M H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.3 0.904 111.5 47.4 -60.4 -43.4 7.4 13.0 156.9 40 40 A M H X>S+ 0 0 0 -4,-3.3 4,-3.3 2,-0.2 5,-0.5 0.967 113.9 46.4 -61.9 -53.4 4.0 14.0 158.2 41 41 A D H X5S+ 0 0 40 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.895 114.9 46.3 -57.3 -45.2 3.1 10.5 159.2 42 42 A T H <5S+ 0 0 24 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.882 122.1 34.7 -66.7 -40.5 6.4 9.8 161.0 43 43 A T H <5S+ 0 0 11 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.882 126.2 36.2 -85.3 -40.8 6.5 13.1 162.9 44 44 A C H <5S+ 0 0 1 -4,-3.3 3,-0.3 -5,-0.3 -3,-0.2 0.806 112.5 55.7 -86.7 -32.6 2.8 13.7 163.6 45 45 A L S < + 0 0 25 3,-0.1 4,-2.9 39,-0.0 5,-0.2 0.737 47.9 149.5 63.7 26.1 -2.2 12.2 171.2 50 50 A F H > S+ 0 0 27 1,-0.2 4,-0.8 2,-0.2 307,-0.0 0.880 70.8 48.4 -49.2 -43.9 -2.7 13.5 174.8 51 51 A R H > S+ 0 0 11 2,-0.2 4,-1.0 1,-0.2 3,-0.2 0.905 114.4 43.1 -71.1 -43.2 -2.6 17.1 173.5 52 52 A G H > S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.893 113.7 51.2 -66.2 -43.2 -5.1 16.5 170.6 53 53 A M H X S+ 0 0 20 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.631 101.5 63.2 -72.9 -15.2 -7.5 14.4 172.6 54 54 A T H X S+ 0 0 4 -4,-0.8 4,-1.7 -3,-0.2 5,-0.2 0.885 101.1 49.3 -75.8 -40.4 -7.6 17.1 175.4 55 55 A V H X S+ 0 0 0 -4,-1.0 4,-1.3 -3,-0.3 -2,-0.2 0.814 112.8 51.4 -67.0 -27.5 -9.2 19.7 173.1 56 56 A V H X S+ 0 0 8 -4,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.923 111.7 42.5 -73.7 -47.7 -11.7 17.1 172.1 57 57 A N H X S+ 0 0 32 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.693 111.8 54.4 -79.4 -18.7 -12.8 16.0 175.6 58 58 A V H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.910 113.4 44.6 -68.6 -46.1 -12.9 19.6 176.8 59 59 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.2 -2,-0.2 0.907 111.4 51.1 -63.2 -47.6 -15.3 20.3 173.9 60 60 A E H X S+ 0 0 74 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.860 102.4 63.0 -59.3 -38.8 -17.4 17.1 174.4 61 61 A G H X S+ 0 0 16 -4,-1.2 4,-0.6 1,-0.2 3,-0.4 0.928 107.7 40.9 -49.9 -51.8 -17.8 18.1 178.0 62 62 A F H >< S+ 0 0 21 -4,-1.3 3,-1.0 1,-0.2 -1,-0.2 0.869 108.2 62.0 -67.7 -37.4 -19.7 21.3 177.1 63 63 A L H >< S+ 0 0 17 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.788 99.7 54.6 -58.5 -31.3 -21.6 19.5 174.3 64 64 A A H 3< S+ 0 0 90 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.739 115.7 38.8 -74.6 -23.4 -23.3 17.2 176.8 65 65 A V T << S+ 0 0 94 -3,-1.0 2,-0.4 -4,-0.6 -1,-0.2 -0.016 106.8 76.3-116.8 27.3 -24.5 20.2 178.8 66 66 A T S < S- 0 0 62 -3,-0.8 2,-0.4 2,-0.0 0, 0.0 -0.998 76.5-120.3-143.9 136.0 -25.5 22.5 175.9 67 67 A Q + 0 0 167 -2,-0.4 2,-0.3 6,-0.0 -3,-0.1 -0.629 47.7 152.0 -75.7 122.8 -28.4 22.7 173.5 68 68 A H - 0 0 50 -2,-0.4 -2,-0.0 -5,-0.1 2,-0.0 -0.989 45.9-106.7-149.1 146.7 -27.2 22.5 169.9 69 69 A D > - 0 0 113 -2,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.335 41.0-107.7 -63.2 157.2 -28.5 21.3 166.5 70 70 A E H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.890 121.5 52.6 -56.6 -40.9 -27.1 18.0 165.2 71 71 A A H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.839 110.5 46.2 -64.0 -36.8 -25.1 19.9 162.6 72 72 A T H > S+ 0 0 36 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.929 109.9 53.3 -73.8 -46.3 -23.6 22.3 165.2 73 73 A K H X S+ 0 0 55 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.926 112.5 47.1 -47.3 -47.9 -22.7 19.4 167.5 74 74 A E H X S+ 0 0 128 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.846 111.5 48.5 -64.0 -40.7 -20.9 17.9 164.5 75 75 A R H X S+ 0 0 89 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.842 109.9 51.6 -72.6 -36.2 -19.1 21.1 163.5 76 76 A I H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.889 110.7 49.1 -66.3 -41.6 -17.8 21.7 167.0 77 77 A L H X S+ 0 0 63 -4,-1.8 4,-1.2 -5,-0.3 -2,-0.2 0.901 112.8 47.6 -61.0 -44.8 -16.5 18.1 167.2 78 78 A H H X S+ 0 0 57 -4,-1.9 4,-1.9 2,-0.2 3,-0.5 0.911 110.8 51.3 -63.4 -44.9 -14.8 18.6 163.8 79 79 A D H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.882 105.8 56.0 -57.2 -40.6 -13.4 21.9 165.0 80 80 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.809 107.4 49.9 -62.2 -31.5 -12.0 20.2 168.1 81 81 A C H X S+ 0 0 12 -4,-1.2 4,-2.6 -3,-0.5 -2,-0.2 0.891 110.8 46.3 -76.1 -42.6 -10.1 17.7 165.8 82 82 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.906 114.2 49.4 -66.1 -41.6 -8.5 20.4 163.7 83 83 A G H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.894 110.8 52.1 -59.6 -40.4 -7.6 22.3 166.8 84 84 A G H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.930 111.0 45.6 -60.6 -47.7 -6.2 19.0 168.2 85 85 A W H X S+ 0 0 0 -4,-2.6 4,-4.4 2,-0.2 5,-0.3 0.912 104.7 59.7 -69.1 -43.0 -4.1 18.4 165.1 86 86 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.921 111.7 43.1 -44.3 -50.3 -2.7 22.0 165.0 87 87 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.954 113.5 50.3 -62.7 -51.4 -1.3 21.3 168.4 88 88 A E H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.913 114.3 45.4 -51.9 -46.1 -0.1 17.8 167.4 89 89 A F H X S+ 0 0 0 -4,-4.4 4,-2.4 2,-0.2 -1,-0.2 0.839 110.1 54.3 -66.4 -36.3 1.6 19.4 164.4 90 90 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.856 111.5 45.0 -66.2 -37.9 3.0 22.2 166.5 91 91 A Q H X S+ 0 0 10 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.924 108.8 55.6 -69.0 -46.6 4.5 19.6 168.8 92 92 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.917 106.8 52.4 -50.5 -47.4 5.8 17.6 165.9 93 93 A H H X S+ 0 0 10 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.927 112.7 43.4 -50.4 -52.2 7.5 20.8 164.8 94 94 A Y H X S+ 0 0 17 -4,-1.6 4,-3.1 1,-0.2 -2,-0.2 0.886 110.4 55.0 -68.8 -38.7 9.2 21.2 168.2 95 95 A L H X S+ 0 0 15 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.913 104.2 54.3 -56.5 -50.1 10.1 17.5 168.5 96 96 A V H X S+ 0 0 6 -4,-2.2 4,-1.1 -5,-0.2 18,-0.2 0.897 116.3 37.8 -52.6 -48.0 12.0 17.5 165.2 97 97 A E H X S+ 0 0 32 -4,-1.4 4,-2.2 1,-0.2 3,-0.2 0.893 113.0 57.2 -72.8 -42.1 14.2 20.4 166.2 98 98 A D H X S+ 0 0 27 -4,-3.1 4,-3.3 1,-0.2 5,-0.2 0.861 104.8 53.6 -53.2 -38.5 14.4 19.2 169.9 99 99 A D H X>S+ 0 0 5 -4,-2.5 5,-1.8 2,-0.2 4,-0.7 0.853 109.9 44.7 -71.5 -37.0 15.9 15.9 168.6 100 100 A I H <5S+ 0 0 42 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.863 117.3 48.2 -70.1 -37.6 18.7 17.6 166.6 101 101 A M H <5S+ 0 0 80 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.943 117.6 37.6 -68.8 -50.4 19.3 19.9 169.5 102 102 A D H <5S- 0 0 16 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.559 106.8-125.4 -81.0 -8.7 19.4 17.1 172.2 103 103 A G T <5 + 0 0 40 -4,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.850 46.6 174.5 68.0 37.2 21.2 14.7 169.8 104 104 A S < - 0 0 11 -5,-1.8 -1,-0.2 -6,-0.2 3,-0.1 -0.355 29.0-160.3 -79.8 155.8 18.6 12.0 170.3 105 105 A V + 0 0 59 160,-0.3 7,-1.1 1,-0.2 2,-0.4 0.568 69.8 39.3-109.9 -14.7 18.6 8.7 168.4 106 106 A M E -A 111 0A 40 5,-0.3 159,-0.5 159,-0.2 2,-0.4 -0.968 49.5-178.2-150.5 124.6 15.0 7.5 168.8 107 107 A R E > S-A 110 0A 42 3,-1.7 3,-1.1 -2,-0.4 157,-0.2 -0.987 79.4 -14.8-124.6 125.0 11.5 9.0 168.9 108 108 A R T 3 S- 0 0 70 -2,-0.4 156,-0.2 1,-0.3 155,-0.1 0.762 125.0 -56.9 57.4 32.0 8.4 6.9 169.5 109 109 A G T 3 S+ 0 0 50 154,-2.3 -1,-0.3 1,-0.4 154,-0.1 -0.044 125.1 87.4 94.1 -32.7 10.3 3.6 168.9 110 110 A K E < S-A 107 0A 117 -3,-1.1 -3,-1.7 1,-0.2 -1,-0.4 -0.427 94.7 -80.9 -83.0 168.8 11.4 4.5 165.4 111 111 A P E -A 106 0A 65 0, 0.0 -5,-0.3 0, 0.0 -1,-0.2 -0.327 58.7 -85.1 -63.5 157.2 14.7 6.5 164.8 112 112 A C > - 0 0 0 -7,-1.1 3,-1.6 1,-0.1 4,-0.4 -0.349 44.7-110.3 -59.2 145.2 14.6 10.3 165.3 113 113 A W G > S+ 0 0 16 1,-0.3 3,-1.7 2,-0.2 7,-0.2 0.874 118.9 50.1 -51.2 -47.4 13.4 12.0 162.1 114 114 A Y G 3 S+ 0 0 27 1,-0.3 6,-0.8 -18,-0.2 -1,-0.3 0.733 104.0 62.2 -64.1 -22.5 16.9 13.5 161.3 115 115 A R G < S+ 0 0 134 -3,-1.6 -1,-0.3 4,-0.1 -2,-0.2 0.434 72.5 113.8 -84.5 -2.2 18.4 10.0 161.8 116 116 A F S X> S- 0 0 50 -3,-1.7 3,-2.5 -4,-0.4 4,-1.2 -0.590 76.0-127.7 -66.4 130.0 16.4 8.5 158.9 117 117 A P T 34 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.876 107.4 46.9 -51.4 -42.2 19.1 7.7 156.3 118 118 A G T 34 S+ 0 0 69 1,-0.1 -3,-0.1 2,-0.0 -2,-0.1 0.278 112.6 51.6 -84.7 11.5 17.3 9.5 153.6 119 119 A V T <> S+ 0 0 5 -3,-2.5 4,-0.6 -5,-0.2 -5,-0.1 0.820 72.3 179.7-109.1 -64.3 16.6 12.7 155.7 120 120 A T H >X - 0 0 66 -4,-1.2 4,-1.9 -6,-0.8 3,-1.0 0.310 51.3 -77.7 67.0 158.3 19.8 14.0 157.4 121 121 A T H 3> S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.821 124.9 63.3 -60.0 -33.1 20.0 17.1 159.6 122 122 A Q H 3> S+ 0 0 163 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.801 110.3 37.1 -67.5 -29.3 19.8 19.6 156.7 123 123 A C H X S+ 0 0 62 -4,-2.1 4,-1.7 1,-0.2 3,-0.7 0.892 102.4 58.6 -59.5 -42.0 3.7 26.3 158.8 134 134 A W H 3X S+ 0 0 8 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.887 96.7 61.1 -53.6 -45.4 1.1 23.6 158.3 135 135 A T H 3< S+ 0 0 0 -4,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.836 107.9 44.7 -52.6 -37.7 -0.6 24.5 161.6 136 136 A Q H S+ 0 0 0 -4,-0.4 4,-2.7 -5,-0.3 -2,-0.2 0.940 110.7 42.3 -78.2 -56.0 -6.0 27.3 160.7 140 140 A W H < S+ 0 0 154 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.1 0.737 119.7 45.9 -64.9 -26.3 -6.7 29.9 158.0 141 141 A H H >< S+ 0 0 94 -4,-1.9 3,-1.1 -5,-0.2 4,-0.2 0.974 121.4 31.3 -75.6 -65.1 -8.5 27.3 155.9 142 142 A Y H 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0.831 109.4 56.0 -70.9 -34.5 -9.3 18.7 184.0 351 351 A A H X S+ 0 0 26 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.851 111.6 44.3 -63.3 -35.0 -10.0 15.9 186.5 352 352 A V H X S+ 0 0 50 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.895 112.5 50.5 -76.7 -42.9 -9.8 13.5 183.6 353 353 A V H X S+ 0 0 3 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.924 112.0 47.9 -59.8 -47.1 -6.7 15.1 182.0 354 354 A W H X S+ 0 0 22 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.895 109.9 54.0 -59.5 -42.3 -4.9 15.0 185.4 355 355 A E H X S+ 0 0 103 -4,-1.4 4,-0.6 1,-0.2 -2,-0.2 0.928 109.4 46.1 -58.7 -48.6 -5.9 11.3 185.8 356 356 A K H X S+ 0 0 70 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.845 117.0 44.7 -65.8 -35.2 -4.5 10.3 182.4 357 357 A T H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.943 109.5 53.3 -71.5 -51.8 -1.2 12.2 183.1 358 358 A H H 3< S+ 0 0 70 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.595 114.6 46.9 -59.0 -10.3 -0.8 11.0 186.7 359 359 A K H 3< S+ 0 0 144 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.563 83.8 121.4-107.9 -15.2 -1.1 7.4 185.2 360 360 A R << + 0 0 26 -3,-1.3 -3,-0.1 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