==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-DEC-10 3Q2Z . COMPND 2 MOLECULE: SQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SUZUKI,H.SHIMIZU,S.KATAKURA,K.YAMAZAKI,N.HIGASHIHASHI,M.IC . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 79.9 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 . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 2 2 0 0 1 2 1 1 1 2 0 1 1 1 0 0 1 1 1 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 36 A L 0 0 161 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.3 -1.9 12.4 48.0 2 37 A S > - 0 0 51 1,-0.1 4,-2.8 3,-0.1 5,-0.2 0.222 360.0-127.0 -56.7 155.6 -3.6 9.2 46.7 3 38 A S H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.920 116.3 57.2 -60.1 -40.5 -5.6 6.7 48.5 4 39 A S H > S+ 0 0 21 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.927 109.0 41.5 -49.6 -55.5 -3.1 4.3 46.9 5 40 A L H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.900 110.8 58.1 -69.7 -32.7 -0.1 6.1 48.4 6 41 A K H X S+ 0 0 74 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.903 106.8 48.5 -62.0 -36.4 -2.0 6.4 51.7 7 42 A T H X S+ 0 0 44 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.815 105.8 57.6 -73.7 -31.5 -2.4 2.7 51.9 8 43 A C H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.968 108.4 46.7 -62.3 -49.1 1.3 2.1 51.1 9 44 A Y H X S+ 0 0 29 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.819 108.2 55.4 -64.3 -26.1 2.3 4.1 54.1 10 45 A K H X S+ 0 0 128 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.969 110.6 45.5 -69.1 -47.9 -0.2 2.3 56.2 11 46 A Y H X S+ 0 0 29 -4,-2.7 4,-2.3 2,-0.2 5,-0.4 0.885 109.6 57.0 -57.4 -37.1 1.5 -1.0 55.2 12 47 A L H X S+ 0 0 0 -4,-2.8 4,-3.6 1,-0.2 5,-0.4 0.983 109.3 42.6 -60.9 -54.2 4.8 0.6 55.9 13 48 A N H X S+ 0 0 80 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.805 113.7 54.2 -62.6 -32.0 4.0 1.5 59.5 14 49 A Q H < S+ 0 0 115 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.857 124.1 23.2 -65.4 -41.9 2.4 -2.0 60.0 15 50 A T H < S+ 0 0 27 -4,-2.3 -2,-0.2 -3,-0.3 -3,-0.2 0.910 121.8 52.4 -88.4 -49.4 5.4 -3.9 58.8 16 51 A S H >< S- 0 0 7 -4,-3.6 3,-2.1 -5,-0.4 2,-0.3 0.551 74.3-177.6 -78.7 -13.1 8.3 -1.5 59.4 17 52 A R T 3< S+ 0 0 77 -4,-0.8 4,-0.3 -5,-0.4 3,-0.3 -0.325 71.3 2.1 62.3-117.3 7.8 -0.6 63.0 18 53 A S T 3> S+ 0 0 70 -2,-0.3 4,-0.6 1,-0.2 3,-0.5 0.667 128.6 64.9 -75.9 -17.2 10.3 2.0 64.3 19 54 A F H X> S+ 0 0 50 -3,-2.1 4,-1.7 1,-0.2 3,-0.7 0.809 81.6 74.6 -83.7 -27.3 11.9 2.2 61.0 20 55 A A H 3> S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.816 92.9 57.3 -49.9 -35.2 8.9 3.7 59.2 21 56 A A H 3> S+ 0 0 60 -3,-0.5 4,-0.9 -4,-0.3 -1,-0.3 0.893 103.5 50.9 -69.4 -39.1 9.6 7.0 60.9 22 57 A V H << S+ 0 0 15 -3,-0.7 3,-0.4 -4,-0.6 -1,-0.2 0.906 112.1 48.1 -64.0 -40.7 13.1 7.2 59.5 23 58 A I H >< S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.879 107.1 54.0 -68.9 -40.4 11.8 6.6 56.0 24 59 A Q H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.679 102.6 62.2 -70.6 -14.0 9.0 9.2 56.2 25 60 A A T 3< S+ 0 0 64 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.519 77.5 114.0 -85.2 -10.0 11.7 11.7 57.2 26 61 A L S < S- 0 0 4 -3,-1.5 5,-0.3 -4,-0.2 6,-0.1 -0.374 71.8-105.9 -64.9 142.3 13.6 11.4 53.9 27 62 A D >> - 0 0 71 3,-0.1 3,-1.6 4,-0.1 4,-0.6 -0.295 60.2 -42.9 -68.2 147.0 13.6 14.5 51.6 28 63 A G H >> S+ 0 0 57 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.095 121.7 2.2 57.9-137.8 11.7 14.9 48.5 29 64 A E H 3> S+ 0 0 103 1,-0.2 4,-1.3 2,-0.1 -1,-0.3 0.578 120.5 74.1 -64.8 -13.1 11.2 12.3 45.9 30 65 A M H <> S+ 0 0 3 -3,-1.6 4,-2.6 1,-0.2 5,-0.4 0.873 83.6 64.2 -72.9 -34.9 13.3 9.9 48.0 31 66 A R H < - 0 0 0 -4,-1.6 3,-1.1 -5,-0.2 -4,-0.0 -0.373 47.1-172.0 -68.0 106.9 6.9 -19.1 53.1 51 86 A M T 3 S+ 0 0 91 -2,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.705 76.9 70.4 -71.3 -14.4 7.7 -22.7 53.8 52 87 A T T 3 S+ 0 0 96 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.159 81.6 83.4 -90.7 18.1 4.2 -23.7 52.7 53 88 A I S < S- 0 0 18 -3,-1.1 2,-0.0 -6,-0.1 26,-0.0 -0.985 85.8-116.9-119.5 134.1 4.8 -22.9 49.0 54 89 A S >> - 0 0 64 -2,-0.4 4,-3.6 1,-0.1 3,-0.8 -0.326 13.8-122.4 -77.3 152.8 6.5 -25.6 47.0 55 90 A V H 3> S+ 0 0 76 1,-0.3 4,-2.7 2,-0.2 -1,-0.1 0.920 112.4 62.2 -54.8 -41.4 9.9 -25.2 45.5 56 91 A E H 34 S+ 0 0 165 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.801 115.6 30.3 -59.2 -35.4 8.3 -26.0 42.1 57 92 A K H <> S+ 0 0 61 -3,-0.8 4,-1.4 2,-0.1 -1,-0.2 0.832 115.3 60.4 -87.5 -37.7 6.1 -23.0 42.4 58 93 A K H X S+ 0 0 13 -4,-3.6 4,-2.2 1,-0.2 5,-0.2 0.881 97.6 60.0 -62.1 -37.8 8.4 -20.8 44.4 59 94 A V H X S+ 0 0 40 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.933 105.3 42.6 -63.2 -54.6 11.1 -20.8 41.8 60 95 A P H > S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.864 113.3 56.6 -60.3 -33.9 9.3 -19.2 38.8 61 96 A L H X S+ 0 0 23 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.898 109.6 42.6 -61.9 -43.4 7.8 -16.8 41.2 62 97 A L H >< S+ 0 0 0 -4,-2.2 3,-0.9 2,-0.2 4,-0.4 0.965 116.8 49.7 -66.8 -49.0 11.2 -15.5 42.5 63 98 A H H 3< S+ 0 0 81 -4,-2.7 3,-0.3 53,-0.3 -2,-0.2 0.874 119.1 36.7 -56.4 -39.2 12.5 -15.5 38.9 64 99 A N H >X S+ 0 0 78 -4,-2.2 3,-1.7 -5,-0.3 4,-0.9 0.524 84.3 102.1 -99.4 0.1 9.6 -13.6 37.5 65 100 A F H XX S+ 0 0 0 -4,-0.9 4,-0.9 -3,-0.9 3,-0.5 0.816 74.4 61.5 -55.0 -38.5 8.9 -11.2 40.4 66 101 A H H 34 S+ 0 0 50 -4,-0.4 3,-0.4 -3,-0.3 -1,-0.3 0.859 104.6 53.4 -56.8 -30.7 10.6 -8.2 38.7 67 102 A S H X4 S+ 0 0 47 -3,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.824 94.9 65.4 -72.3 -33.6 7.9 -8.7 36.0 68 103 A F H X< S+ 0 0 19 -4,-0.9 3,-1.9 -3,-0.5 6,-0.3 0.794 86.2 73.0 -63.8 -26.5 4.9 -8.6 38.3 69 104 A L T 3< S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.4 29,-0.2 0.773 101.6 43.2 -55.0 -26.3 5.7 -5.0 39.1 70 105 A Y T < S+ 0 0 105 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.327 93.8 90.5-104.0 6.7 4.5 -4.1 35.6 71 106 A Q X - 0 0 89 -3,-1.9 3,-1.7 -4,-0.1 23,-0.1 -0.885 64.9-156.5-109.8 102.4 1.3 -6.4 35.7 72 107 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.693 88.7 38.4 -58.0 -26.6 -1.5 -4.3 37.1 73 108 A D T 3 S+ 0 0 80 21,-0.1 2,-0.1 2,-0.0 17,-0.1 0.468 80.6 125.2-104.5 -2.5 -3.6 -7.2 38.4 74 109 A W < + 0 0 37 -3,-1.7 2,-0.3 -6,-0.3 20,-0.2 -0.364 28.6 149.7 -59.8 129.6 -0.9 -9.6 39.7 75 110 A R - 0 0 82 15,-0.1 2,-0.4 -2,-0.1 13,-0.2 -0.937 36.5-136.1-149.0 168.0 -1.5 -10.6 43.3 76 111 A F + 0 0 31 11,-1.6 3,-0.2 -2,-0.3 14,-0.1 -0.976 22.1 170.1-138.0 122.2 -0.8 -13.7 45.4 77 112 A M + 0 0 101 -2,-0.4 -1,-0.1 1,-0.1 11,-0.1 0.490 60.9 81.6-106.5 -11.7 -3.4 -15.2 47.8 78 113 A E + 0 0 151 2,-0.0 2,-0.4 6,-0.0 -1,-0.1 0.012 65.6 114.3 -93.3 29.2 -1.8 -18.5 48.7 79 114 A S - 0 0 9 -3,-0.2 -32,-0.1 5,-0.1 5,-0.1 -0.831 43.2-169.5-108.6 141.0 0.6 -17.3 51.5 80 115 A K + 0 0 68 -2,-0.4 -1,-0.1 3,-0.0 2,-0.1 0.304 49.3 115.4-108.2 9.9 0.6 -18.0 55.2 81 116 A E S > S- 0 0 73 -35,-0.1 3,-1.4 1,-0.1 -2,-0.1 -0.313 76.5-107.4 -80.9 163.6 3.1 -15.5 56.5 82 117 A K T 3 S+ 0 0 140 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.863 116.2 48.1 -51.3 -46.0 2.7 -12.6 58.8 83 118 A D T >> + 0 0 29 1,-0.2 3,-1.2 -41,-0.1 4,-0.6 0.002 69.4 127.3 -92.9 34.1 3.2 -9.9 56.1 84 119 A R H <> + 0 0 120 -3,-1.4 4,-2.9 1,-0.3 3,-0.5 0.732 56.1 78.0 -65.9 -19.8 0.7 -11.5 53.6 85 120 A Q H 3> S+ 0 0 34 -3,-0.4 4,-3.1 1,-0.2 -1,-0.3 0.870 90.0 53.8 -53.6 -43.8 -1.2 -8.2 53.2 86 121 A V H <4 S+ 0 0 1 -3,-1.2 -1,-0.2 1,-0.2 7,-0.2 0.849 113.8 42.6 -64.0 -34.3 1.5 -6.8 50.9 87 122 A L H >< S+ 0 0 0 -4,-0.6 -11,-1.6 -3,-0.5 3,-1.1 0.902 115.7 48.2 -75.8 -40.9 1.2 -9.8 48.6 88 123 A E H 3< S+ 0 0 54 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.882 121.3 36.0 -67.7 -41.9 -2.6 -9.9 48.8 89 124 A D T >X S+ 0 0 47 -4,-3.1 3,-1.5 -5,-0.2 4,-1.0 0.003 79.0 131.9-100.6 29.2 -2.9 -6.2 48.0 90 125 A F H X> + 0 0 0 -3,-1.1 4,-3.3 1,-0.2 3,-0.6 0.851 60.3 66.4 -46.8 -44.2 0.0 -6.1 45.6 91 126 A P H 3> S+ 0 0 29 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.827 99.0 54.1 -55.6 -26.8 -1.8 -4.2 42.8 92 127 A T H <> S+ 0 0 27 -3,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.921 112.9 42.3 -68.7 -43.2 -2.0 -1.2 45.1 93 128 A I H < S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.957 103.7 53.0 -56.8 -51.7 5.6 1.7 41.7 98 133 A R H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.707 103.3 58.9 -62.6 -15.2 4.5 2.6 38.2 99 134 A N H 3< S+ 0 0 106 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.595 83.9 100.0 -82.3 -16.6 4.0 6.2 39.3 100 135 A L S << S- 0 0 21 -3,-1.9 5,-0.1 -4,-0.5 -3,-0.0 -0.354 93.7 -84.0 -63.8 156.1 7.6 6.7 40.4 101 136 A A >> - 0 0 39 1,-0.1 4,-1.9 -72,-0.1 3,-1.7 -0.280 44.6-112.5 -53.9 149.9 9.9 8.5 38.0 102 137 A E H 3> S+ 0 0 149 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.839 114.2 63.7 -62.7 -36.8 11.2 6.0 35.5 103 138 A K H 3> S+ 0 0 85 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.690 107.8 42.8 -60.9 -21.1 14.8 6.3 36.9 104 139 A Y H <> S+ 0 0 4 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.834 109.9 56.1 -92.2 -38.2 13.6 4.9 40.2 105 140 A Q H X S+ 0 0 26 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.890 106.7 50.0 -51.5 -43.3 11.4 2.2 38.7 106 141 A T H X S+ 0 0 67 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.845 108.9 51.7 -78.4 -30.4 14.4 0.7 36.7 107 142 A V H X S+ 0 0 18 -4,-0.6 4,-2.1 -5,-0.2 5,-0.2 0.977 113.6 44.2 -60.8 -52.3 16.6 0.6 39.8 108 143 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.926 113.3 50.9 -64.8 -40.2 14.0 -1.3 41.7 109 144 A A H X S+ 0 0 13 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.893 110.3 48.5 -62.5 -44.3 13.2 -3.6 38.9 110 145 A D H X S+ 0 0 59 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.881 110.8 50.6 -65.4 -41.0 16.8 -4.6 38.2 111 146 A I H X S+ 0 0 1 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.941 111.0 48.4 -63.2 -46.9 17.5 -5.3 41.9 112 147 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.881 108.9 54.4 -64.0 -35.6 14.5 -7.5 42.2 113 148 A R H X S+ 0 0 101 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.981 114.1 40.1 -59.0 -46.5 15.5 -9.4 39.1 114 149 A R H X S+ 0 0 75 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.893 114.2 52.6 -77.7 -37.5 18.9 -10.1 40.5 115 150 A M H X S+ 0 0 0 -4,-3.2 4,-3.1 -5,-0.2 -1,-0.2 0.924 107.2 52.5 -58.9 -44.3 17.7 -10.9 44.0 116 151 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -53,-0.3 0.920 107.7 50.5 -62.8 -42.0 15.1 -13.4 42.8 117 152 A I H X S+ 0 0 77 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.972 115.3 45.2 -55.4 -47.5 17.7 -15.3 40.8 118 153 A G H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.872 110.2 50.7 -67.5 -41.7 19.9 -15.4 43.9 119 154 A M H >< S+ 0 0 1 -4,-3.1 3,-0.7 1,-0.2 4,-0.3 0.921 108.0 54.9 -65.1 -38.0 17.2 -16.4 46.4 120 155 A A H >X S+ 0 0 14 -4,-2.2 3,-1.3 1,-0.2 4,-0.6 0.879 101.0 59.4 -60.0 -42.4 16.1 -19.3 44.1 121 156 A E H 3X S+ 0 0 58 -4,-1.6 4,-0.7 1,-0.2 3,-0.4 0.848 107.4 46.3 -55.9 -32.9 19.7 -20.6 44.1 122 157 A F H << S+ 0 0 15 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.345 85.2 87.4-100.1 7.7 19.6 -21.0 47.9 123 158 A L H <4 S+ 0 0 44 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.956 98.4 40.5 -59.4 -47.0 16.2 -22.7 48.2 124 159 A D H < S+ 0 0 147 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.1 0.975 112.9 46.5 -60.8 -65.9 18.1 -25.9 47.7 125 160 A K < - 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0 0 21 1,-0.2 4,-2.7 -90,-0.1 5,-0.2 -0.737 67.2-146.4 -83.5 124.9 22.1 14.8 52.6 248 283 A Q H > S+ 0 0 106 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.868 96.0 48.8 -54.5 -45.8 21.2 14.9 56.3 249 284 A S H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.858 112.5 47.6 -68.5 -37.7 18.1 12.8 55.9 250 285 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.872 110.9 54.2 -68.7 -40.4 19.8 10.1 53.9 251 286 A F H X S+ 0 0 15 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.961 109.5 44.7 -57.1 -53.8 22.6 10.1 56.4 252 287 A N H X S+ 0 0 39 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.946 112.0 55.6 -59.3 -39.3 20.3 9.5 59.3 253 288 A F H < S+ 0 0 13 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.913 116.7 33.8 -57.8 -45.6 18.5 6.9 57.2 254 289 A C H X S+ 0 0 13 -4,-2.4 4,-0.7 1,-0.1 -1,-0.2 0.767 116.8 53.4 -79.9 -30.2 21.7 4.9 56.6 255 290 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.869 98.4 62.5 -80.1 -33.7 23.5 5.5 59.9 256 291 A I H X S+ 0 0 15 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.931 101.6 45.4 -65.5 -50.8 20.8 4.4 62.3 257 292 A P H > S+ 0 0 31 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.867 113.4 56.0 -56.8 -31.2 20.5 0.7 61.4 258 293 A Q H X S+ 0 0 7 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.899 106.6 45.0 -71.9 -41.6 24.2 0.5 61.4 259 294 A V H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.880 110.1 56.7 -67.9 -34.6 24.8 1.8 65.0 260 295 A M H X S+ 0 0 40 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.837 108.3 47.5 -60.3 -38.2 22.0 -0.4 66.3 261 296 A A H X S+ 0 0 6 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.845 108.3 53.9 -76.7 -33.1 23.8 -3.5 64.8 262 297 A I H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.953 111.0 46.4 -57.3 -47.7 27.1 -2.4 66.3 263 298 A A H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.884 112.3 51.8 -61.2 -43.9 25.3 -2.2 69.7 264 299 A T H X S+ 0 0 11 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.922 108.6 49.4 -57.7 -46.6 23.8 -5.6 69.0 265 300 A L H X S+ 0 0 2 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.908 110.8 51.2 -61.7 -40.5 27.1 -7.2 68.2 266 301 A A H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.847 109.8 49.0 -62.5 -38.5 28.6 -5.8 71.3 267 302 A A H < S+ 0 0 33 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.821 115.7 44.6 -69.1 -29.5 25.8 -7.2 73.4 268 303 A C H >< S+ 0 0 0 -4,-1.7 3,-1.9 -5,-0.1 -2,-0.2 0.701 83.2 113.5 -85.4 -25.8 26.2 -10.6 71.8 269 304 A Y T 3< S- 0 0 0 -4,-1.6 3,-0.1 1,-0.3 -44,-0.1 -0.300 98.1 -10.8 -59.9 131.3 30.0 -10.9 71.9 270 305 A N T 3 S+ 0 0 66 -49,-0.3 2,-0.7 1,-0.2 -1,-0.3 0.801 101.5 144.9 50.6 31.1 31.1 -13.7 74.3 271 306 A N X - 0 0 51 -3,-1.9 3,-1.7 1,-0.1 4,-0.3 -0.872 42.9-164.9-112.4 109.5 27.5 -13.9 75.5 272 307 A Q G > S+ 0 0 106 -2,-0.7 3,-1.5 1,-0.3 4,-0.2 0.750 81.9 79.2 -59.4 -22.7 26.1 -17.3 76.4 273 308 A Q G >> S+ 0 0 101 1,-0.3 4,-1.8 2,-0.2 3,-1.8 0.745 75.6 73.0 -62.8 -23.4 22.6 -15.8 76.3 274 309 A V G <4 S+ 0 0 0 -3,-1.7 -88,-0.6 1,-0.3 -1,-0.3 0.865 98.7 47.8 -55.0 -35.2 22.5 -16.1 72.5 275 310 A F G <4 S+ 0 0 10 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.364 114.9 46.2 -92.2 5.9 22.1 -19.8 72.8 276 311 A K T <4 S- 0 0 113 -3,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.473 124.3 -47.6-122.3 -16.0 19.3 -19.5 75.4 277 312 A G S < S- 0 0 24 -4,-1.8 2,-0.7 2,-0.0 -91,-0.3 -0.954 82.1 -30.1 176.1-151.8 17.1 -16.9 73.8 278 313 A A - 0 0 76 -2,-0.3 2,-0.7 -3,-0.1 -4,-0.1 -0.825 42.2-155.2-102.1 108.8 16.9 -13.5 72.1 279 314 A V + 0 0 14 -2,-0.7 2,-0.3 -96,-0.4 -11,-0.1 -0.775 26.3 170.0 -79.8 116.0 19.5 -10.9 73.0 280 315 A K - 0 0 122 -2,-0.7 2,-0.3 -13,-0.1 3,-0.0 -0.901 34.1-113.2-121.7 159.8 18.0 -7.5 72.2 281 316 A I - 0 0 34 -2,-0.3 -17,-0.1 1,-0.1 -21,-0.0 -0.727 42.9 -96.2 -92.7 146.3 19.1 -4.0 73.1 282 317 A R > - 0 0 169 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.209 26.2-122.5 -57.8 147.6 17.0 -2.0 75.5 283 318 A K H > S+ 0 0 178 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.904 112.3 51.7 -62.6 -42.8 14.5 0.4 74.1 284 319 A G H > S+ 0 0 34 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.864 110.3 49.4 -62.2 -39.5 16.1 3.4 75.9 285 320 A Q H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 112.2 47.8 -60.0 -51.2 19.4 2.5 74.5 286 321 A A H X S+ 0 0 18 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.918 109.3 52.6 -59.0 -44.9 18.0 2.2 71.0 287 322 A V H X S+ 0 0 66 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.895 111.0 47.4 -56.8 -43.6 16.1 5.6 71.2 288 323 A T H X S+ 0 0 70 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.868 109.0 53.6 -67.9 -42.6 19.4 7.4 72.2 289 324 A L H X S+ 0 0 9 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.947 110.0 49.0 -52.5 -49.5 21.3 5.7 69.5 290 325 A M H < S+ 0 0 59 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 112.8 46.8 -59.6 -39.9 18.7 7.0 67.0 291 326 A M H < S+ 0 0 129 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.819 117.5 41.0 -72.6 -32.2 18.8 10.5 68.4 292 327 A D H < S+ 0 0 74 -4,-2.0 2,-2.1 -3,-0.2 3,-0.4 0.658 89.4 87.3 -93.0 -21.9 22.6 10.8 68.4 293 328 A A < + 0 0 0 -4,-1.9 -38,-0.2 1,-0.2 -37,-0.2 -0.417 57.8 107.5 -80.7 66.0 23.5 9.1 65.1 294 329 A T S S+ 0 0 45 -2,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.324 71.9 32.1-128.8 6.7 23.2 12.2 62.9 295 330 A N S > S- 0 0 71 -3,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.975 81.1-107.9-158.7 153.4 26.7 13.3 61.9 296 331 A M H > S+ 0 0 38 -2,-0.3 4,-3.5 1,-0.2 5,-0.2 0.887 113.3 52.4 -54.8 -49.1 30.0 11.4 61.2 297 332 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.935 113.5 45.4 -57.1 -41.3 31.9 12.4 64.4 298 333 A A H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.965 114.6 46.9 -60.8 -50.7 29.1 11.3 66.6 299 334 A V H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.908 112.9 50.8 -61.3 -41.3 28.6 8.0 64.7 300 335 A K H X S+ 0 0 57 -4,-3.5 4,-2.5 -5,-0.2 -1,-0.2 0.902 108.1 51.6 -64.4 -36.9 32.4 7.5 64.8 301 336 A A H X S+ 0 0 46 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.897 110.5 50.0 -64.7 -39.6 32.5 8.0 68.6 302 337 A I H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.945 110.0 49.1 -61.6 -49.2 29.7 5.5 69.0 303 338 A I H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 3,-0.2 0.967 112.4 48.8 -54.8 -53.4 31.5 2.9 66.9 304 339 A Y H X S+ 0 0 86 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.881 109.4 52.1 -58.5 -42.9 34.7 3.4 68.8 305 340 A Q H X S+ 0 0 128 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.904 111.9 45.3 -59.8 -42.5 33.1 3.1 72.3 306 341 A Y H X S+ 0 0 40 -4,-2.3 4,-1.7 -3,-0.2 -1,-0.2 0.854 111.8 51.6 -75.5 -32.4 31.4 -0.1 71.5 307 342 A M H X S+ 0 0 5 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.837 107.8 52.2 -68.3 -36.2 34.6 -1.6 69.9 308 343 A E H X S+ 0 0 122 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.908 107.8 54.0 -64.2 -41.2 36.6 -0.7 73.1 309 344 A E H X S+ 0 0 97 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.903 111.0 43.4 -59.0 -44.2 33.9 -2.5 75.0 310 345 A I H >< S+ 0 0 0 -4,-1.7 3,-0.8 1,-0.2 4,-0.4 0.930 110.7 58.7 -68.4 -41.2 34.4 -5.6 72.9 311 346 A Y H >< S+ 0 0 93 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.919 105.0 46.9 -52.9 -50.4 38.1 -5.2 73.1 312 347 A H H 3< S+ 0 0 131 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.734 109.9 55.5 -71.6 -15.0 38.3 -5.3 76.9 313 348 A R T << S+ 0 0 86 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.400 76.3 119.8 -90.8 -2.0 36.0 -8.4 76.9 314 349 A I < - 0 0 11 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.0 -0.565 56.9-143.7 -70.5 116.1 38.2 -10.5 74.6 315 350 A P > - 0 0 33 0, 0.0 3,-1.1 0, 0.0 6,-0.2 -0.644 7.6-137.7 -79.4 141.7 39.3 -13.7 76.5 316 351 A D T 3 S+ 0 0 127 -2,-0.3 6,-0.1 1,-0.3 5,-0.1 0.735 102.2 59.7 -68.9 -24.9 42.9 -14.9 75.7 317 352 A S T 3 S+ 0 0 111 4,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.645 79.9 109.5 -78.0 -11.9 41.8 -18.5 75.6 318 353 A D S X S- 0 0 9 -3,-1.1 3,-2.1 1,-0.1 4,-0.3 -0.440 70.9-136.6 -68.3 128.3 39.4 -17.7 72.7 319 354 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.694 104.1 43.7 -60.2 -18.9 40.6 -19.2 69.3 320 355 A S T >> S+ 0 0 2 1,-0.1 4,-2.6 2,-0.1 3,-1.0 0.440 81.5 113.4 -98.9 1.8 39.7 -16.0 67.5 321 356 A S H <> S+ 0 0 15 -3,-2.1 4,-2.9 1,-0.3 5,-0.2 0.808 77.7 41.0 -53.4 -48.7 41.2 -13.6 70.0 322 357 A S H 3> S+ 0 0 83 -4,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.787 114.9 52.8 -71.7 -27.5 44.1 -12.1 68.1 323 358 A K H <> S+ 0 0 88 -3,-1.0 4,-2.6 2,-0.2 5,-0.2 0.905 111.7 47.5 -63.6 -44.4 42.0 -11.9 64.9 324 359 A T H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.951 112.7 47.6 -61.2 -48.5 39.4 -10.0 67.0 325 360 A R H X S+ 0 0 69 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.895 111.8 53.4 -58.7 -39.9 42.0 -7.7 68.5 326 361 A Q H X S+ 0 0 130 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.940 108.9 43.7 -65.1 -50.6 43.4 -7.1 65.0 327 362 A I H X S+ 0 0 9 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.930 112.9 53.1 -67.8 -37.4 40.3 -6.0 63.3 328 363 A I H X S+ 0 0 9 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.906 107.5 52.4 -59.2 -40.4 39.3 -3.8 66.2 329 364 A S H X S+ 0 0 52 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.933 110.5 48.5 -59.6 -44.5 42.8 -2.1 66.0 330 365 A T H >< S+ 0 0 79 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.958 109.4 51.0 -56.7 -55.2 42.2 -1.5 62.3 331 366 A I H 3< S+ 0 0 10 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.931 106.8 57.2 -51.0 -43.7 38.8 -0.0 62.8 332 367 A R H 3< 0 0 55 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.591 360.0 360.0 -69.8 -10.6 40.3 2.3 65.5 333 368 A T << 0 0 164 -3,-2.0 -3,-0.1 -4,-0.6 -2,-0.1 0.400 360.0 360.0-131.3 360.0 42.9 3.8 63.1