==== 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 31-MAR-08 3CP6 . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.PILKA,J.E.DUNFORD,K.GUO,A.C.W.PIKE,F.VON DELFT,B.L.BARNE . 334 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 78.1 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 . 3 0.9 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 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 61.4 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 0 0 1 0 1 2 0 0 2 0 1 1 1 0 0 1 0 0 1 1 0 0 0 2 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 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 11 A A 0 0 134 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -42.7 -6.4 37.8 2.9 2 12 A Q + 0 0 100 1,-0.2 4,-0.2 2,-0.1 0, 0.0 0.717 360.0 37.0 -77.2 -26.2 -8.9 35.4 4.6 3 13 A E S > S+ 0 0 38 2,-0.1 4,-1.2 1,-0.1 -1,-0.2 0.456 96.0 88.1-100.9 -5.6 -6.6 32.3 5.2 4 14 A K H >> S+ 0 0 53 -3,-0.3 4,-3.1 2,-0.2 3,-0.9 0.956 80.0 50.9 -68.8 -58.5 -3.4 34.2 6.1 5 15 A Q H 3> S+ 0 0 123 -4,-0.5 4,-2.8 1,-0.3 -1,-0.2 0.854 115.5 45.9 -48.6 -43.8 -3.6 34.8 9.9 6 16 A D H 3> S+ 0 0 86 2,-0.2 4,-0.7 -4,-0.2 -1,-0.3 0.717 114.8 47.7 -71.7 -28.5 -4.3 31.1 10.4 7 17 A F H XX S+ 0 0 0 -4,-1.2 3,-0.9 -3,-0.9 4,-0.6 0.961 118.2 39.8 -69.3 -63.1 -1.5 30.1 7.9 8 18 A V H >< S+ 0 0 56 -4,-3.1 3,-1.2 1,-0.2 4,-0.3 0.874 112.7 56.4 -51.8 -44.5 1.0 32.5 9.6 9 19 A Q H >< S+ 0 0 58 -4,-2.8 3,-1.0 -5,-0.4 4,-0.4 0.783 97.0 64.6 -62.9 -27.6 -0.2 31.6 13.1 10 20 A H H XX S+ 0 0 13 -3,-0.9 4,-2.5 -4,-0.7 3,-1.4 0.742 79.7 83.7 -64.0 -25.9 0.5 27.9 12.4 11 21 A F H S+ 0 0 59 -3,-1.0 4,-1.7 -4,-0.3 -1,-0.3 0.817 107.9 47.4 -68.5 -32.8 4.4 28.5 16.0 13 23 A Q H <> S+ 0 0 73 -3,-1.4 4,-2.8 -4,-0.4 -2,-0.2 0.894 108.8 55.7 -73.4 -43.5 3.0 25.0 15.9 14 24 A I H X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.928 110.5 44.2 -48.9 -52.3 5.5 24.1 13.1 15 25 A V H X S+ 0 0 15 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.890 113.7 51.1 -66.8 -39.2 8.4 25.2 15.3 16 26 A R H X S+ 0 0 127 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.920 106.2 54.6 -58.2 -49.7 7.0 23.4 18.4 17 27 A V H < S+ 0 0 29 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.1 43.4 -57.7 -44.2 6.5 20.1 16.5 18 28 A L H < S+ 0 0 9 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.925 113.0 52.7 -68.6 -44.3 10.1 19.8 15.4 19 29 A T H < 0 0 54 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.845 360.0 360.0 -59.9 -40.6 11.5 20.9 18.8 20 30 A E < 0 0 136 -4,-2.3 -3,-0.1 -5,-0.1 5,-0.1 0.677 360.0 360.0 -95.7 360.0 9.5 18.3 20.8 21 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 22 35 A H > 0 0 151 0, 0.0 4,-0.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 85.5 16.6 15.5 23.3 23 36 A P H >> + 0 0 124 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.843 360.0 66.2 -54.2 -39.8 17.6 19.0 24.7 24 37 A E H >> S+ 0 0 145 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.925 90.6 58.9 -34.5 -63.6 20.1 19.1 21.9 25 38 A I H 3> S+ 0 0 61 -3,-0.5 4,-2.2 1,-0.3 3,-0.2 0.748 94.0 66.2 -56.9 -30.4 17.5 19.2 19.0 26 39 A G H + 0 0 24 1,-0.1 4,-2.7 3,-0.1 5,-0.2 0.678 49.9 145.1 55.3 25.8 3.2 33.8 1.1 46 59 A N H > + 0 0 79 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.900 69.1 46.7 -58.3 -45.5 1.3 33.3 -2.2 47 60 A R H > S+ 0 0 18 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.949 116.6 42.8 -64.4 -51.8 2.8 29.8 -2.8 48 61 A G H >> S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 4,-0.7 0.943 113.4 51.3 -61.1 -48.4 2.2 28.5 0.8 49 62 A L H >X S+ 0 0 20 -4,-2.7 4,-2.3 1,-0.3 3,-0.5 0.802 97.3 69.1 -61.2 -30.3 -1.3 30.0 1.1 50 63 A T H 3X S+ 0 0 17 -4,-1.5 4,-3.0 -5,-0.2 5,-0.3 0.801 90.0 61.9 -59.3 -32.7 -2.4 28.4 -2.3 51 64 A V H - 0 0 125 -2,-0.4 3,-3.4 1,-0.1 4,-0.5 -0.399 30.2-115.1 -64.5 136.4 -16.2 19.2 0.2 61 74 A P G > S+ 0 0 106 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.739 115.2 60.4 -41.3 -38.1 -16.7 21.4 3.3 62 75 A R G 3 S+ 0 0 218 1,-0.3 3,-0.1 2,-0.0 -2,-0.1 0.737 105.4 48.9 -65.0 -23.7 -18.0 18.4 5.3 63 76 A K G < S+ 0 0 43 -3,-3.4 2,-1.4 1,-0.2 -1,-0.3 0.467 87.5 94.0 -91.5 -3.0 -14.6 16.7 4.7 64 77 A Q < + 0 0 29 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.0 -0.367 56.8 165.9 -91.9 60.6 -12.6 19.8 5.9 65 78 A D > - 0 0 81 -2,-1.4 4,-2.0 1,-0.1 5,-0.2 -0.164 52.3 -99.6 -71.3 168.6 -12.1 18.9 9.5 66 79 A A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.757 121.0 52.0 -63.6 -27.7 -9.7 20.7 11.8 67 80 A D H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 107.7 50.1 -77.6 -40.2 -7.0 18.0 11.4 68 81 A S H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.858 111.9 49.3 -63.9 -39.2 -7.0 18.0 7.6 69 82 A L H X S+ 0 0 19 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.949 108.0 54.1 -59.4 -51.1 -6.7 21.9 7.8 70 83 A Q H X S+ 0 0 58 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.899 111.4 45.5 -48.2 -45.9 -3.8 21.4 10.2 71 84 A R H X S+ 0 0 34 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.905 112.1 51.8 -64.9 -43.2 -2.2 19.1 7.6 72 85 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.894 109.1 48.9 -59.6 -44.1 -2.9 21.6 4.8 73 86 A W H X S+ 0 0 46 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.901 111.7 51.5 -60.5 -43.3 -1.3 24.6 6.7 74 87 A T H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.902 109.1 48.4 -61.5 -44.9 1.7 22.4 7.4 75 88 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.847 108.7 54.3 -66.1 -36.8 2.1 21.5 3.7 76 89 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.914 108.4 49.2 -60.0 -44.3 1.7 25.1 2.6 77 90 A W H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.865 104.6 59.4 -62.4 -38.9 4.6 26.0 5.0 78 91 A C H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.903 103.7 50.9 -52.9 -43.8 6.6 23.1 3.4 79 92 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.904 110.4 50.1 -60.0 -40.2 6.2 24.9 0.1 80 93 A E H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.849 108.4 52.2 -68.2 -35.1 7.6 28.1 1.8 81 94 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.926 109.1 50.1 -64.5 -43.8 10.5 26.1 3.3 82 95 A L H X S+ 0 0 7 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.908 110.6 48.8 -58.5 -50.0 11.4 24.8 -0.2 83 96 A Q H X S+ 0 0 37 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.934 112.0 49.5 -53.8 -49.1 11.3 28.3 -1.7 84 97 A A H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.856 106.4 57.4 -62.0 -36.7 13.5 29.6 1.2 85 98 A F H X S+ 0 0 19 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.940 111.2 41.1 -55.8 -47.7 16.0 26.8 0.6 86 99 A F H X S+ 0 0 8 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.903 116.0 49.9 -74.0 -37.9 16.6 27.8 -2.9 87 100 A L H X S+ 0 0 20 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.824 106.1 53.6 -67.5 -42.3 16.7 31.5 -2.2 88 101 A V H X S+ 0 0 8 -4,-2.5 4,-1.1 2,-0.2 18,-0.2 0.926 118.4 37.8 -56.7 -41.9 19.2 31.4 0.7 89 102 A A H X S+ 0 0 29 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.861 112.0 56.3 -83.4 -38.7 21.5 29.4 -1.6 90 103 A D H X S+ 0 0 23 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.900 105.4 54.0 -61.3 -40.2 20.8 31.4 -4.9 91 104 A D H <>S+ 0 0 8 -4,-2.0 5,-2.5 2,-0.2 4,-0.3 0.865 108.5 47.8 -64.8 -39.6 21.7 34.7 -3.1 92 105 A I H ><5S+ 0 0 34 -4,-1.1 3,-1.1 3,-0.2 -2,-0.2 0.954 115.9 45.7 -59.3 -50.5 25.2 33.3 -2.0 93 106 A M H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.799 115.8 44.0 -67.6 -32.6 25.8 32.0 -5.6 94 107 A D T 3<5S- 0 0 11 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.299 107.4-123.9 -90.8 0.8 24.6 35.2 -7.4 95 108 A S T < 5 + 0 0 77 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.886 47.6 179.3 56.2 47.2 26.5 37.5 -4.9 96 109 A S < - 0 0 9 -5,-2.5 -1,-0.1 -6,-0.1 3,-0.1 -0.324 28.1-158.5 -84.9 159.1 23.3 39.3 -4.0 97 110 A L + 0 0 93 148,-0.4 7,-2.9 1,-0.3 2,-0.3 0.860 67.2 15.2 -99.6 -51.1 23.0 42.2 -1.5 98 111 A T E -A 103 0A 38 5,-0.3 147,-0.4 147,-0.2 2,-0.3 -0.896 48.2-177.9-129.1 152.7 19.4 42.4 -0.4 99 112 A R E > S+A 102 0A 34 3,-2.7 3,-2.2 -2,-0.3 145,-0.2 -0.965 79.7 5.7-142.8 144.7 16.2 40.4 -0.5 100 113 A R T 3 S- 0 0 67 142,-0.4 143,-0.2 -2,-0.3 144,-0.2 0.819 129.6 -63.6 52.5 32.4 12.8 41.5 0.8 101 114 A G T 3 S+ 0 0 62 142,-3.0 2,-0.3 1,-0.2 -1,-0.3 0.474 120.0 93.7 74.9 1.1 14.3 44.9 1.5 102 115 A Q E < S-A 99 0A 68 -3,-2.2 -3,-2.7 141,-0.3 -1,-0.2 -0.827 90.4 -80.6-121.5 161.2 16.7 43.5 4.1 103 116 A I E -A 98 0A 79 -2,-0.3 -5,-0.3 -5,-0.2 5,-0.1 -0.312 59.9 -96.2 -58.4 134.6 20.3 42.4 3.8 104 117 A C >> - 0 0 3 -7,-2.9 3,-1.8 1,-0.1 4,-0.5 -0.258 36.6-111.8 -50.6 147.1 20.5 38.8 2.4 105 118 A W G >4 S+ 0 0 7 1,-0.3 3,-1.8 2,-0.2 7,-0.3 0.871 115.6 52.0 -52.9 -47.6 20.9 36.2 5.2 106 119 A Y G 34 S+ 0 0 34 1,-0.3 6,-0.7 -18,-0.2 -1,-0.3 0.652 103.1 61.0 -66.3 -18.0 24.5 35.2 4.3 107 120 A Q G <4 S+ 0 0 70 -3,-1.8 -1,-0.3 -10,-0.1 -2,-0.2 0.541 79.7 108.3 -82.7 -13.0 25.6 38.9 4.4 108 121 A K S XX S- 0 0 64 -3,-1.8 3,-2.4 -4,-0.5 4,-0.9 -0.517 84.6-107.3 -64.7 130.8 24.5 39.1 8.0 109 122 A P T 34 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.342 108.3 26.4 -58.8 135.8 27.6 39.4 10.3 110 123 A G T 34 S+ 0 0 73 -4,-0.1 -2,-0.1 1,-0.1 -3,-0.1 0.351 115.2 68.7 89.8 -7.1 28.0 36.1 12.1 111 124 A V T X4 + 0 0 10 -3,-2.4 3,-1.6 -5,-0.1 -5,-0.2 0.766 57.3 131.9-103.5 -75.6 26.2 34.1 9.3 112 125 A G G >< S- 0 0 29 -4,-0.9 3,-2.3 -6,-0.7 4,-0.1 -0.259 87.0 -6.7 56.4-138.2 28.4 34.1 6.2 113 126 A L G > S+ 0 0 116 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.574 117.2 83.9 -76.8 -3.7 28.9 30.6 4.6 114 127 A D G <> S+ 0 0 101 -3,-1.6 4,-1.5 1,-0.2 3,-0.4 0.715 73.8 78.5 -58.8 -22.6 27.1 29.0 7.6 115 128 A A H <> S+ 0 0 0 -3,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.669 80.1 68.4 -56.4 -21.8 24.1 30.0 5.5 116 129 A I H <> S+ 0 0 93 -3,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.966 103.3 41.5 -63.1 -50.8 24.9 26.9 3.4 117 130 A N H > S+ 0 0 105 -4,-0.5 4,-2.4 -3,-0.4 -2,-0.2 0.871 110.9 57.5 -63.2 -40.3 23.9 24.7 6.3 118 131 A D H X S+ 0 0 3 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.890 105.8 50.7 -55.2 -44.0 20.8 26.9 7.1 119 132 A A H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.943 110.8 48.0 -60.0 -43.4 19.6 26.3 3.6 120 133 A N H X S+ 0 0 75 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.847 109.3 53.4 -70.0 -36.5 20.0 22.5 4.0 121 134 A L H X S+ 0 0 36 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.877 105.5 54.0 -60.8 -43.3 18.3 22.5 7.3 122 135 A L H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.952 111.5 45.1 -54.9 -54.9 15.3 24.3 5.7 123 136 A E H >X S+ 0 0 54 -4,-2.0 3,-0.9 1,-0.2 4,-0.9 0.916 111.3 53.0 -52.3 -50.5 15.1 21.6 3.1 124 137 A A H 3X S+ 0 0 59 -4,-2.6 4,-1.4 1,-0.2 3,-0.3 0.851 103.4 58.9 -56.3 -35.1 15.5 18.8 5.7 125 138 A C H 3X S+ 0 0 7 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.766 93.7 65.8 -71.9 -27.0 12.7 20.2 7.8 126 139 A I H < S+ 0 0 0 -4,-3.0 3,-2.0 -5,-0.3 6,-0.3 0.351 81.4 108.8-118.3 6.4 1.0 13.2 6.9 135 148 A R T 3< S+ 0 0 131 -4,-1.2 -1,-0.1 -5,-0.3 6,-0.1 0.804 85.4 44.3 -57.7 -36.2 2.7 9.8 7.5 136 149 A E T 3 S+ 0 0 160 -5,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.379 95.7 104.3 -90.2 6.3 -0.5 7.9 8.1 137 150 A Q S X S- 0 0 53 -3,-2.0 3,-1.4 1,-0.1 4,-0.3 -0.600 75.6-128.5 -93.7 151.2 -2.3 9.5 5.2 138 151 A P T 3 S+ 0 0 122 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.730 108.8 52.5 -69.5 -23.0 -2.9 7.8 1.8 139 152 A Y T 3> S+ 0 0 21 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.344 77.5 108.8 -90.5 3.2 -1.4 10.6 -0.2 140 153 A Y H <> S+ 0 0 38 -3,-1.4 4,-2.0 -6,-0.3 3,-0.2 0.917 80.3 42.1 -51.0 -56.0 1.9 10.6 1.8 141 154 A L H > S+ 0 0 108 -4,-0.3 4,-2.6 -3,-0.2 -1,-0.2 0.884 111.2 56.5 -58.0 -44.6 4.2 9.1 -0.9 142 155 A N H > S+ 0 0 51 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.877 109.2 46.7 -52.1 -44.7 2.6 11.2 -3.6 143 156 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 -3,-0.2 -2,-0.2 0.860 110.5 51.0 -69.3 -40.7 3.5 14.4 -1.6 144 157 A I H X S+ 0 0 35 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.953 113.6 46.2 -57.8 -50.7 7.1 13.3 -0.9 145 158 A E H X S+ 0 0 111 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.845 109.9 54.2 -62.5 -35.7 7.6 12.6 -4.6 146 159 A L H X S+ 0 0 14 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.943 112.7 42.7 -61.9 -49.0 6.0 15.9 -5.6 147 160 A F H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.897 115.3 49.5 -64.4 -43.6 8.4 17.9 -3.4 148 161 A L H X S+ 0 0 91 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.890 113.7 46.4 -62.1 -41.7 11.4 15.8 -4.5 149 162 A Q H X S+ 0 0 81 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.850 111.7 48.8 -71.6 -38.1 10.5 16.3 -8.2 150 163 A S H X S+ 0 0 15 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.907 113.3 49.4 -65.9 -37.5 9.9 20.1 -7.9 151 164 A S H X S+ 0 0 13 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.924 110.2 50.1 -69.6 -45.4 13.2 20.3 -6.1 152 165 A Y H X S+ 0 0 135 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.914 111.9 47.8 -53.4 -51.8 15.0 18.2 -8.8 153 166 A Q H X S+ 0 0 47 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.924 113.5 46.8 -59.3 -49.5 13.5 20.4 -11.6 154 167 A T H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.905 111.6 53.2 -60.9 -39.6 14.5 23.7 -9.9 155 168 A E H X S+ 0 0 80 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.870 106.1 50.1 -64.4 -41.7 18.0 22.3 -9.2 156 169 A I H X S+ 0 0 49 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.895 110.2 53.4 -61.7 -46.4 18.6 21.4 -12.8 157 170 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.895 108.2 48.3 -49.1 -49.9 17.5 25.0 -13.6 158 171 A Q H X S+ 0 0 19 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.886 111.2 52.0 -61.0 -38.3 20.1 26.4 -11.2 159 172 A T H X S+ 0 0 63 -4,-2.1 4,-2.2 1,-0.2 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2,-0.1 -1,-0.2 -0.731 60.5-138.2-102.2 146.1 34.1 35.2 -19.6 170 183 A V + 0 0 81 -2,-0.3 104,-0.1 -3,-0.1 2,-0.1 -0.930 44.8 137.3 -89.8 111.3 32.7 36.8 -22.8 171 184 A D + 0 0 47 -2,-0.7 3,-0.4 -5,-0.1 4,-0.2 -0.428 11.2 151.8-153.6 97.9 30.2 34.6 -24.4 172 185 A L S > S+ 0 0 9 1,-0.2 3,-0.9 2,-0.2 -1,-0.0 0.600 73.4 79.5 -74.6 -19.8 27.0 36.1 -25.7 173 186 A V T 3 S+ 0 0 98 1,-0.3 -1,-0.2 -3,-0.0 3,-0.1 0.847 88.4 55.7 -57.0 -34.5 27.2 33.2 -28.2 174 187 A R T 3 S+ 0 0 74 -3,-0.4 2,-2.2 1,-0.2 -1,-0.3 0.779 87.1 86.0 -64.2 -29.2 25.8 31.0 -25.3 175 188 A F < + 0 0 6 -3,-0.9 -1,-0.2 -4,-0.2 2,-0.2 -0.371 61.5 147.7 -83.0 64.4 22.8 33.4 -24.9 176 189 A T > - 0 0 71 -2,-2.2 4,-2.4 1,-0.1 5,-0.2 -0.500 60.9-115.6 -97.7 164.7 20.5 31.9 -27.5 177 190 A E H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.804 118.6 52.4 -68.5 -29.9 16.7 31.6 -27.6 178 191 A K H > S+ 0 0 71 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.908 109.9 48.3 -69.5 -42.4 16.9 27.8 -27.4 179 192 A R H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.921 111.7 48.5 -65.4 -49.2 19.2 28.1 -24.4 180 193 A Y H X S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.895 107.2 55.6 -55.7 -44.5 16.9 30.5 -22.5 181 194 A K H X S+ 0 0 57 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.833 110.1 47.6 -61.0 -32.0 13.8 28.4 -23.2 182 195 A S H X S+ 0 0 46 -4,-1.3 4,-1.2 -3,-0.3 -2,-0.2 0.922 112.2 47.4 -72.4 -46.5 15.6 25.4 -21.6 183 196 A I H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 3,-0.4 0.931 113.3 48.3 -59.7 -46.1 16.8 27.3 -18.5 184 197 A V H X S+ 0 0 3 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.841 102.2 61.9 -70.9 -33.5 13.3 28.9 -17.9 185 198 A K H < S+ 0 0 71 -4,-1.3 4,-0.4 -5,-0.2 -1,-0.2 0.870 113.4 37.4 -55.5 -42.5 11.4 25.6 -18.3 186 199 A Y H >< S+ 0 0 71 -4,-1.2 3,-1.0 -3,-0.4 4,-0.4 0.904 115.9 51.2 -78.6 -44.8 13.4 24.3 -15.2 187 200 A K H >X S+ 0 0 28 -4,-2.5 3,-1.4 1,-0.2 4,-0.6 0.815 99.3 68.0 -59.1 -33.4 13.4 27.7 -13.3 188 201 A A H >X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.3 3,-0.6 0.772 84.7 69.8 -57.9 -33.4 9.6 27.9 -13.8 189 202 A A H <4 S+ 0 0 13 -3,-1.0 6,-0.3 -4,-0.4 -1,-0.3 0.832 95.9 55.5 -50.5 -36.4 9.2 24.9 -11.5 190 203 A F H <4 S+ 0 0 25 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.824 118.4 31.0 -66.1 -37.3 10.2 27.3 -8.7 191 204 A Y H << S+ 0 0 50 -4,-0.6 -2,-0.2 -3,-0.6 -1,-0.2 0.716 93.6 107.5 -93.4 -28.9 7.5 29.8 -9.6 192 205 A S < - 0 0 7 -4,-3.3 3,-0.5 1,-0.2 28,-0.1 -0.190 64.6-143.0 -53.6 142.3 4.8 27.4 -10.8 193 206 A F S > S+ 0 0 16 26,-0.2 4,-2.4 1,-0.2 5,-0.3 0.263 78.8 103.1 -88.9 13.2 1.9 27.0 -8.4 194 207 A Y H > S+ 0 0 21 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.923 73.5 56.7 -56.9 -44.1 1.8 23.3 -9.5 195 208 A L H > S+ 0 0 3 -3,-0.5 4,-2.0 -6,-0.3 -1,-0.2 0.952 114.5 35.0 -59.8 -50.9 3.5 22.2 -6.3 196 209 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.898 121.1 47.8 -73.9 -32.3 1.0 23.7 -3.9 197 210 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.944 113.5 47.9 -71.7 -44.7 -2.1 23.0 -6.2 198 211 A A H X S+ 0 0 0 -4,-3.5 4,-3.1 -5,-0.3 5,-0.3 0.901 109.5 54.8 -54.9 -42.9 -0.9 19.3 -6.8 199 212 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.4 -2,-0.2 0.959 110.7 43.4 -58.6 -51.3 -0.5 18.9 -3.1 200 213 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.871 112.3 55.0 -61.9 -37.3 -4.1 20.1 -2.4 201 214 A M H ><>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 3,-0.7 0.971 110.1 44.5 -57.3 -54.6 -5.3 17.9 -5.3 202 215 A Y H ><5S+ 0 0 38 -4,-3.1 3,-1.4 1,-0.3 -2,-0.2 0.897 112.2 52.9 -59.8 -39.6 -3.6 14.8 -3.8 203 216 A M H 3<5S+ 0 0 21 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.806 108.2 51.4 -64.1 -29.6 -5.0 15.8 -0.4 204 217 A A T <<5S- 0 0 31 -4,-1.7 -1,-0.3 -3,-0.7 -2,-0.2 0.483 122.3-108.9 -82.4 -4.6 -8.4 15.9 -2.0 205 218 A G T < 5S+ 0 0 54 -3,-1.4 2,-0.9 -4,-0.5 -3,-0.2 0.683 77.1 135.4 80.7 18.3 -7.9 12.4 -3.5 206 219 A I < + 0 0 33 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.855 13.9 143.4 -95.0 97.4 -7.5 13.7 -7.1 207 220 A D + 0 0 99 -2,-0.9 -1,-0.1 -3,-0.1 -5,-0.1 0.347 15.3 136.7-123.5 10.0 -4.5 11.7 -8.2 208 221 A G > - 0 0 35 1,-0.1 4,-2.0 -3,-0.1 5,-0.1 -0.296 52.7-135.5 -64.9 137.8 -5.3 11.0 -11.9 209 222 A E H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 101.1 48.9 -65.2 -41.5 -2.3 11.4 -14.2 210 223 A K H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 110.6 50.5 -68.0 -39.4 -4.1 13.3 -17.0 211 224 A E H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 112.9 47.2 -63.7 -41.0 -5.7 15.8 -14.6 212 225 A H H X S+ 0 0 9 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.918 112.2 49.9 -63.4 -43.6 -2.3 16.4 -13.0 213 226 A A H X S+ 0 0 55 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.804 109.6 51.1 -65.0 -34.9 -0.7 16.8 -16.5 214 227 A N H X S+ 0 0 51 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.939 114.5 42.4 -68.3 -45.4 -3.4 19.3 -17.6 215 228 A A H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.936 111.5 54.8 -65.9 -48.0 -2.9 21.5 -14.5 216 229 A K H X S+ 0 0 85 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.870 106.4 54.1 -51.4 -40.3 0.9 21.2 -14.7 217 230 A K H X S+ 0 0 99 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.864 110.5 42.8 -65.7 -45.8 0.7 22.5 -18.3 218 231 A I H X S+ 0 0 0 -4,-1.5 4,-1.6 -3,-0.2 3,-0.2 0.953 117.8 48.0 -55.3 -54.6 -1.3 25.7 -17.4 219 232 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -26,-0.2 0.823 106.7 55.0 -66.9 -33.2 0.9 26.3 -14.3 220 233 A L H X S+ 0 0 63 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.880 106.2 51.1 -65.0 -42.5 4.2 25.8 -16.1 221 234 A E H X S+ 0 0 60 -4,-1.2 4,-1.6 -3,-0.2 -2,-0.2 0.882 111.7 49.3 -63.3 -34.1 3.4 28.5 -18.8 222 235 A M H X S+ 0 0 2 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.890 107.7 53.4 -68.2 -43.3 2.6 30.8 -15.9 223 236 A G H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.826 105.9 54.3 -60.7 -35.3 5.8 30.0 -14.1 224 237 A E H X S+ 0 0 56 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.898 107.8 49.0 -67.3 -43.4 7.8 30.9 -17.3 225 238 A F H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.903 108.4 54.3 -59.7 -43.6 6.1 34.3 -17.4 226 239 A F H X S+ 0 0 23 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.888 109.0 48.3 -62.8 -36.1 7.0 34.8 -13.8 227 240 A Q H X S+ 0 0 11 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.898 111.1 49.6 -69.3 -41.4 10.7 34.1 -14.5 228 241 A I H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.925 111.5 49.9 -63.5 -42.8 10.7 36.5 -17.5 229 242 A Q H X S+ 0 0 54 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.887 108.9 51.9 -58.4 -42.1 9.1 39.1 -15.3 230 243 A D H X S+ 0 0 29 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.883 109.4 50.0 -61.9 -38.5 11.8 38.5 -12.6 231 244 A D H X S+ 0 0 4 -4,-2.0 4,-0.7 2,-0.2 3,-0.3 0.940 113.0 46.7 -66.8 -47.1 14.5 39.0 -15.3 232 245 A Y H >X S+ 0 0 39 -4,-2.5 4,-2.4 1,-0.2 3,-0.9 0.906 112.0 49.7 -53.8 -52.7 12.8 42.2 -16.4 233 246 A L H 3X S+ 0 0 61 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.724 93.0 77.0 -65.0 -23.3 12.5 43.5 -12.8 234 247 A D H 3< S+ 0 0 33 -4,-1.4 12,-0.4 -3,-0.3 -1,-0.2 0.890 117.5 13.1 -52.4 -41.9 16.1 42.7 -12.1 235 248 A L H << S+ 0 0 32 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.795 137.5 37.4-100.4 -42.6 17.1 45.9 -14.0 236 249 A F H < S+ 0 0 41 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.498 93.4 100.5 -98.7 -5.6 13.9 47.9 -14.5 237 250 A G S < S- 0 0 16 -4,-1.5 9,-0.1 -5,-0.3 3,-0.0 -0.450 77.7-116.8 -75.9 150.7 12.3 47.2 -11.2 238 251 A D >> - 0 0 90 -2,-0.1 4,-2.9 1,-0.1 3,-1.7 -0.831 20.0-143.6 -85.2 118.8 12.3 49.7 -8.3 239 252 A P H 3> S+ 0 0 55 0, 0.0 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1,-0.2 3,-1.6 2,-0.2 29,-1.4 0.961 117.6 45.5 -58.8 -54.9 24.3 42.1 -15.8 250 263 A Q T 345S+ 0 0 68 1,-0.3 -1,-0.2 28,-0.2 -2,-0.2 0.820 113.2 52.2 -52.9 -38.8 27.3 42.0 -13.3 251 264 A D T 3<5S- 0 0 34 -4,-2.3 -1,-0.3 28,-0.1 -2,-0.2 0.389 109.7-120.3 -86.4 -0.7 26.9 38.2 -13.0 252 265 A N T < 5 + 0 0 4 -3,-1.6 -3,-0.2 -4,-0.3 2,-0.2 0.844 49.6 178.6 69.3 36.4 27.0 37.5 -16.7 253 266 A K < - 0 0 10 -5,-2.1 2,-2.1 -6,-0.1 -1,-0.2 -0.429 42.8-123.1 -82.9 145.9 23.5 35.9 -16.8 254 267 A C + 0 0 10 -93,-0.3 -1,-0.1 -2,-0.2 2,-0.1 -0.499 53.2 172.3 -78.3 70.8 21.5 34.5 -19.7 255 268 A S > - 0 0 5 -2,-2.1 4,-1.8 1,-0.1 5,-0.2 -0.356 48.5-116.6 -79.7 157.9 18.6 36.9 -18.9 256 269 A W H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.915 117.1 57.4 -56.6 -39.8 15.5 37.4 -21.0 257 270 A L H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 107.0 44.5 -61.2 -45.4 16.7 41.0 -21.5 258 271 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.869 112.1 52.6 -69.5 -34.8 20.1 40.0 -22.9 259 272 A V H X S+ 0 0 2 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