==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUN-10 3NPR . COMPND 2 MOLECULE: DEHYDROSQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR F.-Y.LIN,C.-I.LIU,Y.-L.LIU,K.WANG,Y.ZHANG,E.OLDFIELD . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 77.1 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 . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 0 1 3 0 0 0 3 0 0 1 2 1 0 0 1 0 2 1 0 0 0 0 0 0 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 1 A M 0 0 206 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 68.6 32.9 -17.9 35.4 2 2 A T > - 0 0 78 3,-0.1 4,-1.5 1,-0.1 5,-0.1 0.180 360.0-106.2 -79.9 175.9 36.1 -18.2 33.4 3 3 A M H > S+ 0 0 140 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.955 121.6 51.5 -64.1 -48.3 38.1 -16.0 31.1 4 4 A M H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.905 105.5 55.2 -51.7 -45.8 36.9 -18.0 28.0 5 5 A D H > S+ 0 0 72 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.901 107.2 51.5 -53.3 -42.9 33.3 -17.5 29.2 6 6 A M H X S+ 0 0 107 -4,-1.5 4,-1.7 -3,-0.3 -1,-0.3 0.821 106.1 54.3 -62.9 -42.2 34.0 -13.8 29.2 7 7 A N H X S+ 0 0 11 -4,-1.8 4,-1.9 -3,-0.2 -2,-0.2 0.930 111.4 44.2 -55.8 -45.9 35.3 -14.0 25.6 8 8 A F H X S+ 0 0 4 -4,-2.3 4,-3.3 1,-0.2 -2,-0.2 0.910 109.6 55.9 -68.3 -37.1 32.1 -15.7 24.4 9 9 A K H X S+ 0 0 152 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.868 106.6 50.7 -68.1 -31.9 29.9 -13.3 26.4 10 10 A Y H X S+ 0 0 29 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.925 110.5 48.9 -63.1 -47.6 31.6 -10.4 24.6 11 11 A C H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.909 110.4 52.1 -57.7 -44.5 31.0 -12.1 21.2 12 12 A H H X S+ 0 0 31 -4,-3.3 4,-2.7 1,-0.2 5,-0.3 0.943 106.4 53.2 -55.6 -51.7 27.4 -12.6 22.3 13 13 A K H X S+ 0 0 116 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.913 107.6 51.4 -49.1 -47.0 27.2 -8.9 23.1 14 14 A I H X S+ 0 0 12 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.931 111.6 47.0 -58.6 -44.0 28.4 -8.0 19.6 15 15 A M H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 8,-0.3 0.926 111.4 48.5 -70.0 -40.0 25.7 -10.2 18.0 16 16 A K H < S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.901 114.2 49.5 -64.7 -39.8 22.8 -9.0 20.1 17 17 A K H < S+ 0 0 134 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.873 124.2 24.6 -57.7 -49.6 23.8 -5.4 19.4 18 18 A H H < S+ 0 0 86 -4,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.582 120.9 47.9-102.3 -16.5 24.2 -5.7 15.6 19 19 A S X + 0 0 15 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 -0.627 54.0 170.9-136.6 74.4 22.0 -8.6 14.5 20 20 A K H > S+ 0 0 131 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.872 80.8 40.5 -63.2 -39.6 18.5 -8.4 16.0 21 21 A S H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.1 -1,-0.2 0.941 119.1 42.4 -72.1 -48.9 17.0 -11.2 13.9 22 22 A F H > S+ 0 0 30 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.903 113.5 53.6 -74.8 -33.2 19.9 -13.7 14.0 23 23 A S H X S+ 0 0 8 -4,-3.0 4,-2.1 -8,-0.3 -1,-0.2 0.968 108.0 50.3 -54.9 -55.7 20.5 -13.0 17.7 24 24 A Y H < S+ 0 0 61 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.913 119.0 38.9 -52.5 -43.8 16.9 -13.8 18.5 25 25 A A H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.946 116.8 42.9 -73.9 -55.0 17.0 -17.0 16.6 26 26 A F H >< S+ 0 0 20 -4,-3.2 3,-1.8 1,-0.3 -1,-0.2 0.735 99.0 71.5 -76.5 -18.2 20.5 -18.5 17.2 27 27 A D T 3< S+ 0 0 31 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.1 0.656 88.6 67.8 -65.7 -12.0 20.4 -17.8 20.9 28 28 A L T < S+ 0 0 81 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.510 80.7 101.6 -87.0 -1.4 17.8 -20.6 21.1 29 29 A L S < S- 0 0 9 -3,-1.8 208,-0.1 1,-0.1 5,-0.0 -0.308 90.4 -79.5 -69.2 162.2 20.4 -23.2 20.2 30 30 A P >> - 0 0 54 0, 0.0 4,-2.7 0, 0.0 3,-0.8 -0.279 53.4-100.9 -54.6 155.9 22.0 -25.5 22.8 31 31 A E H 3> S+ 0 0 97 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.779 117.6 49.0 -55.0 -46.3 24.8 -23.8 24.7 32 32 A D H 3> S+ 0 0 130 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.819 116.9 41.6 -70.5 -30.4 27.8 -25.3 22.9 33 33 A Q H <> S+ 0 0 34 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.847 112.9 52.2 -82.2 -37.4 26.4 -24.5 19.4 34 34 A R H X S+ 0 0 62 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.907 109.3 51.0 -66.9 -31.7 25.1 -21.0 20.3 35 35 A K H X S+ 0 0 33 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.902 108.7 51.4 -70.2 -44.6 28.5 -20.1 21.7 36 36 A A H X S+ 0 0 6 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.895 110.3 50.2 -56.5 -40.0 30.2 -21.3 18.5 37 37 A V H X S+ 0 0 5 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.931 107.0 53.6 -66.7 -43.4 27.7 -19.1 16.5 38 38 A W H X S+ 0 0 11 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.914 110.4 47.9 -52.6 -47.5 28.4 -16.0 18.6 39 39 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.890 112.7 46.4 -63.3 -46.7 32.2 -16.4 17.9 40 40 A I H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.928 112.9 52.6 -64.1 -38.1 31.8 -16.9 14.2 41 41 A Y H X S+ 0 0 36 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.914 107.9 49.1 -59.5 -45.7 29.4 -13.9 14.1 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.872 111.3 49.9 -69.9 -34.8 31.8 -11.6 15.9 43 43 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.953 112.5 46.9 -65.1 -47.0 34.7 -12.5 13.6 44 44 A C H X S+ 0 0 18 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.828 111.8 51.8 -63.9 -35.3 32.5 -11.9 10.6 45 45 A R H X S+ 0 0 54 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.940 108.6 49.4 -67.5 -43.3 31.3 -8.6 12.0 46 46 A K H X S+ 0 0 48 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.892 111.9 50.2 -60.2 -43.6 34.9 -7.4 12.7 47 47 A I H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.947 112.2 46.5 -61.7 -47.7 35.8 -8.3 9.1 48 48 A D H 3< S+ 0 0 69 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.784 120.2 39.1 -65.4 -24.1 32.8 -6.5 7.7 49 49 A D H 3< S+ 0 0 62 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.538 87.2 99.7-103.6 -3.3 33.5 -3.4 9.8 50 50 A S S X< S+ 0 0 1 -4,-1.1 3,-0.5 -3,-0.6 4,-0.4 0.531 71.3 61.0 -67.4 -22.9 37.3 -3.3 9.6 51 51 A I G >> S+ 0 0 29 -3,-0.2 4,-2.0 -4,-0.2 3,-0.7 0.959 98.0 55.6 -76.0 -44.9 37.8 -0.6 7.0 52 52 A D G 34 S+ 0 0 140 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.318 88.3 83.5 -75.3 15.2 36.1 2.3 8.8 53 53 A V G <4 S- 0 0 82 -3,-0.5 -1,-0.2 3,-0.3 -2,-0.1 0.959 121.8 -9.6 -79.6 -55.6 38.4 1.8 11.8 54 54 A Y T <4 S- 0 0 167 -3,-0.7 -2,-0.2 -4,-0.4 -3,-0.1 0.612 101.9-102.7-105.1 -27.3 41.4 3.8 10.5 55 55 A G S < S+ 0 0 56 -4,-2.0 2,-0.2 1,-0.5 -3,-0.2 0.220 93.1 67.4 116.4 -8.3 40.2 4.3 6.9 56 56 A D S > S- 0 0 63 -5,-0.3 3,-0.5 -6,-0.2 -1,-0.5 -0.690 97.2 -82.7-139.0-172.3 42.4 1.6 5.4 57 57 A I T 3> S+ 0 0 56 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.246 89.3 104.2 -83.5 14.0 43.1 -2.1 5.2 58 58 A Q H 3> S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.944 81.6 40.1 -68.2 -54.1 45.2 -2.2 8.4 59 59 A F H <> S+ 0 0 26 -3,-0.5 4,-2.2 -9,-0.4 -1,-0.2 0.841 114.2 57.6 -66.3 -30.7 42.8 -3.8 10.9 60 60 A L H > S+ 0 0 0 -4,-0.3 4,-2.4 -10,-0.3 -1,-0.2 0.905 104.4 48.7 -65.3 -45.0 41.6 -6.2 8.1 61 61 A N H X S+ 0 0 43 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.829 110.7 53.1 -65.4 -34.7 45.1 -7.6 7.5 62 62 A Q H X S+ 0 0 60 -4,-1.6 4,-2.7 2,-0.2 20,-0.3 0.929 107.6 50.3 -58.0 -46.9 45.5 -8.1 11.2 63 63 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.966 111.6 48.6 -60.0 -46.1 42.2 -10.1 11.4 64 64 A K H X S+ 0 0 49 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.851 110.8 49.4 -61.8 -43.3 43.4 -12.3 8.5 65 65 A E H X S+ 0 0 87 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.898 109.4 52.9 -65.1 -38.3 46.7 -12.9 10.0 66 66 A D H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.958 111.2 46.4 -59.4 -46.0 45.0 -13.8 13.3 67 67 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.883 111.6 50.9 -63.5 -38.5 42.8 -16.3 11.4 68 68 A Q H X S+ 0 0 82 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.844 106.5 55.0 -69.4 -36.8 45.8 -17.7 9.6 69 69 A S H X S+ 0 0 38 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.918 111.1 45.5 -55.7 -48.4 47.7 -18.2 12.9 70 70 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.913 113.0 49.2 -62.2 -46.6 44.8 -20.3 14.2 71 71 A E H < S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.895 119.9 37.4 -59.5 -46.8 44.4 -22.3 11.0 72 72 A K H < S+ 0 0 142 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.854 133.8 22.5 -75.2 -36.5 48.1 -23.1 11.0 73 73 A Y >< + 0 0 119 -4,-3.0 3,-1.6 -5,-0.2 -1,-0.2 -0.586 66.9 166.7-132.1 66.1 48.7 -23.5 14.7 74 74 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.735 78.6 41.0 -64.2 -19.2 45.3 -24.3 16.3 75 75 A Y T 3 S+ 0 0 162 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.299 94.1 94.6-111.8 6.3 46.8 -25.4 19.7 76 76 A E S < S- 0 0 122 -3,-1.6 2,-0.4 -7,-0.2 -3,-0.1 -0.698 80.9-105.5 -96.8 154.7 49.5 -22.8 20.2 77 77 A Y - 0 0 132 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.651 40.6-163.9 -77.7 124.6 49.2 -19.6 22.2 78 78 A H - 0 0 20 -2,-0.4 2,-1.0 2,-0.0 -12,-0.0 -0.931 24.1-138.8-113.4 140.5 48.9 -16.6 19.9 79 79 A H - 0 0 161 -2,-0.4 2,-0.1 2,-0.0 -2,-0.0 -0.830 39.1-140.2 -88.9 95.0 49.4 -12.9 20.7 80 80 A F - 0 0 25 -2,-1.0 4,-0.2 1,-0.1 -17,-0.1 -0.410 15.4-155.9 -72.9 141.2 46.5 -11.8 18.5 81 81 A Q S S+ 0 0 86 -19,-0.3 -18,-0.1 -2,-0.1 -1,-0.1 0.730 81.1 32.3 -84.3 -28.5 46.9 -8.6 16.5 82 82 A S S S- 0 0 23 -20,-0.3 2,-0.7 1,-0.1 -19,-0.1 0.764 126.5 -12.3 -95.8 -98.5 43.2 -7.7 16.1 83 83 A D >> - 0 0 17 1,-0.2 4,-2.4 -21,-0.0 3,-0.5 -0.881 54.6-164.9-115.4 103.2 40.6 -8.4 18.7 84 84 A R H 3> S+ 0 0 101 -2,-0.7 4,-2.5 -4,-0.2 5,-0.3 0.851 86.1 54.4 -51.5 -47.1 41.9 -10.8 21.4 85 85 A R H 3> S+ 0 0 117 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.894 113.6 41.2 -60.9 -38.9 38.5 -11.7 22.9 86 86 A I H <> S+ 0 0 1 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.921 115.1 50.1 -76.0 -40.5 37.1 -12.8 19.5 87 87 A M H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.848 106.9 53.8 -73.4 -32.1 40.2 -14.6 18.3 88 88 A M H X S+ 0 0 29 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.901 111.9 46.9 -62.6 -39.7 40.6 -16.6 21.5 89 89 A A H X S+ 0 0 0 -4,-1.1 4,-2.7 -5,-0.3 -2,-0.2 0.930 110.5 50.0 -71.2 -44.9 37.0 -17.8 21.1 90 90 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.932 110.2 52.5 -56.3 -43.6 37.3 -18.6 17.4 91 91 A Q H X S+ 0 0 12 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.935 107.8 51.2 -57.7 -42.2 40.4 -20.6 18.3 92 92 A H H >< S+ 0 0 60 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.965 111.5 47.3 -57.6 -51.3 38.4 -22.5 21.0 93 93 A V H >X S+ 0 0 7 -4,-2.7 3,-2.1 1,-0.2 4,-1.5 0.925 108.4 55.3 -54.8 -47.8 35.8 -23.3 18.4 94 94 A A H 3< S+ 0 0 18 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.718 98.7 61.5 -60.6 -27.7 38.4 -24.4 15.9 95 95 A Q T << S+ 0 0 61 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.638 116.7 32.3 -71.3 -10.1 39.8 -26.9 18.3 96 96 A H T <4 S+ 0 0 124 -3,-2.1 2,-0.3 -4,-0.4 -2,-0.2 0.564 118.7 45.5-121.9 -18.9 36.5 -28.7 18.3 97 97 A K S < S- 0 0 78 -4,-1.5 2,-2.0 2,-0.0 -1,-0.2 -0.989 80.7-110.6-136.6 147.3 35.0 -28.2 14.8 98 98 A N - 0 0 113 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.1 -0.446 43.0-162.9 -76.0 81.0 36.3 -28.5 11.2 99 99 A I - 0 0 7 -2,-2.0 2,-1.6 -5,-0.2 3,-0.2 -0.379 19.2-133.2 -71.3 132.6 36.3 -24.8 10.3 100 100 A A >> + 0 0 29 39,-0.2 3,-1.6 40,-0.2 4,-1.0 -0.587 27.2 179.8 -81.4 88.6 36.4 -23.9 6.6 101 101 A F H >> S+ 0 0 30 -2,-1.6 4,-2.2 1,-0.3 3,-0.5 0.864 76.1 63.3 -63.9 -36.4 39.1 -21.3 6.8 102 102 A Q H 3> S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.768 96.4 60.1 -58.8 -24.7 39.0 -20.7 3.0 103 103 A S H <> S+ 0 0 10 -3,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.910 105.2 47.1 -72.8 -33.9 35.4 -19.5 3.5 104 104 A F H X S+ 0 0 13 -4,-2.0 4,-0.7 1,-0.2 3,-0.5 0.943 110.8 50.1 -60.5 -45.5 35.6 -6.9 1.8 112 112 A Y H 3X S+ 0 0 53 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.817 110.9 51.5 -52.7 -42.0 38.9 -5.8 0.2 113 113 A K H 3< S+ 0 0 138 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.797 96.3 67.5 -68.4 -30.1 37.1 -5.8 -3.2 114 114 A D H X< S+ 0 0 45 -4,-1.4 3,-1.1 -3,-0.5 -1,-0.2 0.699 84.9 72.2 -79.8 -13.0 34.3 -3.6 -2.0 115 115 A Q H 3< S+ 0 0 72 -4,-0.7 2,-1.7 -3,-0.5 -1,-0.2 0.996 103.7 39.8 -52.3 -66.1 36.7 -0.7 -1.5 116 116 A H T 3< S- 0 0 148 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 -0.259 95.4-177.3 -80.3 53.6 37.0 -0.3 -5.3 117 117 A F < + 0 0 40 -2,-1.7 2,-0.3 -3,-1.1 -3,-0.1 -0.235 10.1 176.7 -53.6 131.6 33.2 -1.0 -5.7 118 118 A T - 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0 0 59 -2,-0.7 4,-2.1 82,-0.1 5,-0.2 -0.722 56.8 -93.0-118.1 179.4 28.4 -33.6 3.1 151 151 A H H > S+ 0 0 155 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.871 126.1 55.9 -60.6 -36.1 28.2 -31.6 -0.1 152 152 A Q H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 107.0 50.4 -62.2 -40.8 24.4 -31.5 0.2 153 153 A T H > S+ 0 0 1 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.955 112.2 45.1 -62.2 -51.9 24.8 -29.9 3.6 154 154 A Y H X S+ 0 0 44 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.881 112.1 53.9 -57.5 -42.3 27.2 -27.2 2.4 155 155 A D H X S+ 0 0 57 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.897 109.9 44.8 -58.7 -53.5 25.1 -26.5 -0.6 156 156 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.938 114.1 50.7 -54.6 -47.2 21.9 -25.9 1.3 157 157 A A H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.865 110.6 48.7 -60.2 -43.8 23.8 -23.7 3.8 158 158 A R H X S+ 0 0 63 -4,-2.5 4,-2.5 -20,-0.2 -1,-0.2 0.901 111.3 49.6 -56.7 -55.1 25.4 -21.6 1.0 159 159 A R H X S+ 0 0 65 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.854 111.3 49.9 -55.0 -42.4 22.0 -21.1 -0.7 160 160 A L H X S+ 0 0 18 -4,-2.4 4,-2.2 2,-0.2 3,-0.2 0.959 111.0 48.2 -61.4 -54.5 20.5 -20.1 2.6 161 161 A G H X S+ 0 0 10 -4,-2.4 4,-1.9 1,-0.2 -26,-0.2 0.915 111.9 51.0 -51.8 -43.0 23.2 -17.6 3.3 162 162 A E H X S+ 0 0 50 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.846 109.5 48.1 -71.2 -30.9 22.9 -16.1 -0.2 163 163 A S H X S+ 0 0 3 -4,-1.7 4,-2.5 -3,-0.2 -1,-0.2 0.871 108.3 54.3 -77.4 -32.6 19.2 -15.6 -0.1 164 164 A L H X S+ 0 0 23 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.892 108.9 50.3 -63.2 -41.9 19.4 -13.9 3.3 165 165 A Q H X S+ 0 0 25 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.862 107.3 52.8 -59.4 -41.9 21.9 -11.5 1.8 166 166 A L H X S+ 0 0 5 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.934 110.4 48.3 -63.4 -39.5 19.5 -10.9 -1.2 167 167 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.907 108.8 54.2 -61.2 -47.9 16.8 -10.0 1.4 168 168 A N H X S+ 0 0 36 -4,-2.5 4,-1.8 2,-0.2 3,-0.4 0.922 108.9 47.8 -45.6 -52.3 19.3 -7.8 3.2 169 169 A I H < S+ 0 0 4 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.923 110.0 53.7 -61.2 -36.1 20.0 -5.9 -0.1 170 170 A L H < S+ 0 0 3 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.741 110.0 46.6 -72.6 -24.5 16.2 -5.7 -0.7 171 171 A R H < S+ 0 0 19 -4,-1.6 95,-0.3 -3,-0.4 3,-0.3 0.846 115.7 45.2 -81.5 -33.0 15.7 -4.0 2.8 172 172 A D X + 0 0 12 -4,-1.8 4,-3.3 -5,-0.2 5,-0.3 0.133 67.4 123.3-109.5 22.3 18.5 -1.6 2.4 173 173 A V H > S+ 0 0 16 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.917 82.3 40.7 -46.0 -54.8 18.2 -0.1 -1.1 174 174 A G H > S+ 0 0 3 87,-0.3 4,-2.5 -3,-0.3 5,-0.2 0.943 116.2 47.8 -67.2 -47.4 18.0 3.5 0.1 175 175 A E H > S+ 0 0 86 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.939 113.4 49.7 -57.3 -43.4 20.6 3.3 2.8 176 176 A D H <>S+ 0 0 27 -4,-3.3 5,-2.7 1,-0.2 3,-0.4 0.916 107.0 55.2 -62.0 -42.9 22.9 1.6 0.3 177 177 A F H ><5S+ 0 0 49 -4,-2.6 3,-2.6 -5,-0.3 -2,-0.2 0.944 103.8 54.2 -55.0 -47.8 22.2 4.3 -2.3 178 178 A E H 3<5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 106.6 52.1 -57.5 -32.2 23.3 7.0 0.2 179 179 A N T 3<5S- 0 0 91 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.155 124.1-108.4 -91.7 20.3 26.6 5.2 0.7 180 180 A E T < 5S+ 0 0 163 -3,-2.6 2,-0.4 1,-0.2 -3,-0.2 0.832 79.7 128.5 62.3 31.9 27.0 5.2 -3.1 181 181 A R < + 0 0 52 -5,-2.7 2,-0.4 -8,-0.2 -1,-0.2 -0.993 31.3 176.7-116.7 129.3 26.3 1.4 -3.4 182 182 A I - 0 0 34 -2,-0.4 -62,-0.4 -3,-0.1 -9,-0.0 -0.998 4.3-177.6-125.7 133.2 23.7 -0.0 -5.7 183 183 A Y + 0 0 21 -2,-0.4 -1,-0.1 -14,-0.1 3,-0.1 0.656 50.7 100.0-107.7 -20.4 23.4 -3.8 -5.8 184 184 A F S S- 0 0 4 1,-0.1 -64,-0.3 -15,-0.1 2,-0.1 -0.358 84.4-102.8 -61.7 147.7 20.8 -4.4 -8.5 185 185 A S > - 0 0 0 1,-0.1 4,-2.9 -66,-0.1 -64,-0.2 -0.478 13.3-127.3 -80.9 148.8 22.5 -5.4 -11.7 186 186 A K H > S+ 0 0 94 -66,-3.2 4,-3.0 1,-0.2 5,-0.3 0.945 112.4 56.0 -57.2 -41.0 22.9 -2.9 -14.6 187 187 A Q H > S+ 0 0 75 -66,-2.5 4,-2.0 -67,-0.3 -1,-0.2 0.909 112.2 40.2 -48.7 -52.4 21.4 -5.6 -16.8 188 188 A R H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.873 115.1 51.6 -78.3 -31.5 18.3 -5.8 -14.7 189 189 A L H X>S+ 0 0 13 -4,-2.9 5,-1.6 2,-0.2 4,-0.6 0.930 111.2 47.0 -65.7 -52.2 18.1 -2.0 -14.0 190 190 A K H ><5S+ 0 0 180 -4,-3.0 3,-0.8 3,-0.2 -2,-0.2 0.913 112.0 52.8 -52.0 -49.1 18.3 -1.2 -17.8 191 191 A Q H 3<5S+ 0 0 92 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.901 115.1 37.6 -55.5 -48.4 15.7 -3.9 -18.5 192 192 A Y H 3<5S- 0 0 51 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.434 110.1-121.5 -86.2 0.5 13.1 -2.6 -16.0 193 193 A E T <<5 + 0 0 141 -3,-0.8 2,-0.4 -4,-0.6 -3,-0.2 0.989 57.4 152.4 55.3 70.2 13.9 1.0 -16.8 194 194 A V < - 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