==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-DEC-01 1KP9 . COMPND 2 MOLECULE: CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.-C.HUANG,C.V.SMITH,W.R.JACOBS JR.,M.S.GLICKMAN, . 540 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 6.7 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 . 42 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 1 2 0 2 1 1 3 2 0 5 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 1 5 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 2 0 0 2 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 2 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 18 A L 0 0 90 0, 0.0 5,-0.1 0, 0.0 236,-0.1 0.000 360.0 360.0 360.0 102.1 -6.1 -15.3 42.8 2 19 A S >> - 0 0 39 234,-0.2 4,-1.0 1,-0.1 3,-0.7 -0.032 360.0-118.9 -51.4 154.1 -5.4 -17.2 39.5 3 20 A D H 3> S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.760 115.2 67.5 -66.7 -22.9 -3.9 -15.3 36.6 4 21 A D H 3> S+ 0 0 82 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.839 92.9 57.3 -65.4 -34.4 -7.2 -16.3 34.9 5 22 A F H X4 S+ 0 0 0 -3,-0.7 3,-1.4 1,-0.2 4,-0.3 0.950 108.7 44.1 -62.1 -50.0 -9.1 -14.1 37.2 6 23 A F H >X S+ 0 0 29 -4,-1.0 4,-2.2 1,-0.3 3,-1.8 0.836 103.0 65.8 -65.8 -32.2 -7.2 -11.0 36.2 7 24 A R H 3< S+ 0 0 101 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.691 88.0 72.3 -64.2 -13.4 -7.4 -12.0 32.5 8 25 A L T << S+ 0 0 25 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.773 116.4 15.1 -71.4 -24.7 -11.1 -11.4 32.9 9 26 A F T <4 S+ 0 0 4 -3,-1.8 -2,-0.2 -4,-0.3 216,-0.2 0.560 105.7 89.3-126.4 -13.6 -10.7 -7.7 33.0 10 27 A L S < S- 0 0 19 -4,-2.2 6,-0.1 1,-0.1 19,-0.1 -0.401 81.9-101.8 -81.3 164.4 -7.2 -6.8 31.9 11 28 A D > - 0 0 9 4,-0.3 3,-2.8 17,-0.1 -1,-0.1 -0.287 47.2 -85.5 -77.2 171.2 -6.5 -6.1 28.2 12 29 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.759 130.0 56.8 -49.6 -30.5 -4.9 -8.8 26.0 13 30 A T T 3 S- 0 0 25 2,-0.1 47,-0.4 46,-0.0 45,-0.3 0.532 104.9-132.4 -80.6 -4.6 -1.4 -7.7 27.1 14 31 A Q < + 0 0 24 -3,-2.8 2,-0.7 1,-0.2 44,-0.3 0.833 39.1 174.6 56.4 36.7 -2.4 -8.3 30.6 15 32 A T - 0 0 15 1,-0.1 2,-0.8 42,-0.1 -4,-0.3 -0.656 16.7-168.4 -77.7 111.4 -1.0 -5.0 31.7 16 33 A Y + 0 0 23 -2,-0.7 106,-3.6 -3,-0.1 2,-0.3 -0.454 57.9 73.3 -98.6 58.8 -1.9 -4.5 35.4 17 34 A S S S- 0 0 8 -2,-0.8 104,-0.1 104,-0.2 -2,-0.1 -0.954 94.9 -48.1-157.8 172.1 -0.9 -0.8 35.6 18 35 A C - 0 0 0 -2,-0.3 2,-0.2 1,-0.1 197,-0.1 -0.223 52.3-144.0 -53.1 125.5 -2.0 2.7 34.5 19 36 A A - 0 0 0 195,-0.3 2,-0.6 192,-0.1 13,-0.2 -0.516 10.7-129.9 -86.1 159.1 -3.0 2.9 30.9 20 37 A Y - 0 0 40 11,-2.3 2,-2.3 8,-0.2 3,-0.2 -0.835 12.7-164.0-119.3 96.9 -2.1 6.0 28.9 21 38 A F + 0 0 9 -2,-0.6 10,-0.1 1,-0.2 7,-0.0 -0.478 19.1 166.6 -77.2 73.1 -5.1 7.5 26.9 22 39 A E S S+ 0 0 130 -2,-2.3 2,-0.4 1,-0.1 -1,-0.2 0.800 79.9 35.2 -56.2 -27.5 -3.0 9.7 24.7 23 40 A R S > S- 0 0 111 -3,-0.2 3,-1.7 1,-0.1 -1,-0.1 -0.985 82.3-137.5-127.7 136.5 -6.2 9.9 22.8 24 41 A D T 3 S+ 0 0 140 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.791 105.4 60.9 -63.2 -26.6 -9.6 9.8 24.5 25 42 A D T 3 S+ 0 0 112 -3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.282 81.5 118.9 -83.9 7.6 -10.8 7.4 21.8 26 43 A M < - 0 0 20 -3,-1.7 2,-0.2 1,-0.1 -5,-0.1 -0.448 61.7-126.2 -78.7 151.9 -8.2 4.8 22.7 27 44 A T > - 0 0 70 -2,-0.1 4,-3.0 1,-0.1 5,-0.3 -0.523 33.0-101.7 -88.5 160.5 -9.1 1.3 23.9 28 45 A L H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -8,-0.2 0.920 126.0 48.2 -48.6 -45.9 -7.7 -0.1 27.1 29 46 A Q H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 110.7 48.0 -63.8 -41.9 -5.2 -2.0 25.0 30 47 A E H > S+ 0 0 82 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.885 111.3 52.5 -66.7 -35.7 -4.1 0.9 22.9 31 48 A A H X S+ 0 0 0 -4,-3.0 -11,-2.3 1,-0.2 4,-2.2 0.865 107.6 51.2 -66.6 -36.5 -3.7 3.0 26.0 32 49 A Q H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.863 111.0 48.8 -68.7 -35.3 -1.5 0.3 27.5 33 50 A I H X S+ 0 0 47 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.963 111.9 47.9 -66.8 -50.9 0.6 0.4 24.4 34 51 A A H X S+ 0 0 7 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.864 109.8 54.0 -57.7 -37.3 0.9 4.2 24.5 35 52 A K H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.948 109.8 46.5 -62.0 -48.5 1.8 4.0 28.1 36 53 A I H X S+ 0 0 4 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.914 114.5 47.5 -59.8 -43.3 4.6 1.6 27.3 37 54 A D H X S+ 0 0 47 -4,-2.9 4,-3.9 2,-0.2 -2,-0.2 0.895 107.5 56.5 -64.8 -40.0 5.7 3.9 24.4 38 55 A L H < S+ 0 0 28 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.948 112.6 42.7 -55.5 -48.4 5.5 6.9 26.7 39 56 A A H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 4,-0.2 0.991 119.6 40.9 -59.5 -64.6 7.9 5.2 29.0 40 57 A L H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.3 5,-0.4 0.837 104.3 66.0 -52.3 -43.8 10.2 3.9 26.3 41 58 A G T 3< S+ 0 0 45 -4,-3.9 -1,-0.3 1,-0.3 -2,-0.2 0.526 98.9 57.7 -61.2 -1.9 10.1 7.1 24.3 42 59 A K T < S+ 0 0 35 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.497 89.2 70.6-105.7 -6.9 11.9 8.7 27.2 43 60 A L S < S- 0 0 2 -3,-2.1 103,-0.1 -4,-0.2 -2,-0.1 0.524 92.6-129.7 -89.7 -5.6 15.0 6.6 27.4 44 61 A G - 0 0 47 -4,-0.4 2,-0.2 1,-0.2 -3,-0.1 0.952 36.5-165.0 55.4 48.8 16.7 7.8 24.2 45 62 A L - 0 0 7 -5,-0.4 -1,-0.2 4,-0.0 26,-0.0 -0.495 6.7-161.1 -72.0 133.6 17.1 4.2 23.1 46 63 A Q > - 0 0 119 -2,-0.2 3,-2.7 -3,-0.1 23,-0.1 -0.929 33.9 -88.7-117.3 140.1 19.6 3.5 20.2 47 64 A P T 3 S+ 0 0 80 0, 0.0 24,-0.2 0, 0.0 23,-0.1 -0.138 115.8 25.9 -45.9 129.3 19.8 0.4 18.1 48 65 A G T 3 S+ 0 0 29 22,-1.6 23,-0.2 1,-0.4 22,-0.1 0.121 90.4 128.5 101.6 -22.5 22.0 -2.1 19.7 49 66 A M < - 0 0 32 -3,-2.7 23,-2.0 20,-0.2 2,-0.6 -0.295 59.1-123.9 -65.8 153.5 21.5 -0.9 23.2 50 67 A T E -a 72 0A 30 21,-0.2 64,-1.8 -3,-0.1 65,-1.4 -0.898 24.3-158.6-104.5 120.5 20.5 -3.3 25.9 51 68 A L E -ab 73 115A 1 21,-2.2 23,-3.1 -2,-0.6 2,-0.6 -0.818 4.3-152.0-102.6 136.1 17.4 -2.5 27.8 52 69 A L E -ab 74 116A 5 63,-2.4 65,-2.8 -2,-0.4 2,-0.7 -0.923 4.1-163.3-107.4 122.5 16.5 -3.9 31.3 53 70 A D E > -ab 75 117A 2 21,-2.8 23,-2.4 -2,-0.6 2,-1.0 -0.904 8.4-156.3-107.1 103.6 12.8 -4.2 32.1 54 71 A V E 3 S+a 76 0A 14 63,-2.5 65,-0.3 -2,-0.7 23,-0.1 -0.707 85.4 11.5 -82.1 103.5 12.6 -4.6 35.9 55 72 A G T 3 S- 0 0 37 21,-1.4 -1,-0.3 -2,-1.0 64,-0.2 0.883 77.5-174.9 91.4 57.4 9.2 -6.4 36.4 56 73 A C X - 0 0 5 20,-2.6 3,-1.6 -3,-0.6 5,-0.4 0.648 13.1-169.6 -61.8 -18.0 8.7 -7.3 32.7 57 74 A G T 3 - 0 0 19 19,-0.4 29,-0.2 1,-0.3 -1,-0.2 -0.290 67.7 -14.0 60.4-143.0 5.2 -8.8 33.4 58 75 A W T 3 S- 0 0 32 -45,-0.3 -1,-0.3 -44,-0.3 -43,-0.1 0.280 103.7-104.3 -78.2 16.5 3.7 -10.7 30.5 59 76 A G S <> S+ 0 0 1 -3,-1.6 4,-1.9 -4,-0.0 5,-0.3 0.416 80.1 131.3 82.2 2.7 6.4 -9.2 28.3 60 77 A A H > S+ 0 0 26 -47,-0.4 4,-1.9 1,-0.2 5,-0.1 0.877 76.0 50.8 -54.2 -41.1 4.5 -6.5 26.4 61 78 A T H > S+ 0 0 13 -5,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.924 108.7 49.4 -63.0 -50.3 7.2 -3.8 27.1 62 79 A M H > S+ 0 0 5 -6,-0.3 4,-2.2 1,-0.2 3,-0.4 0.964 112.7 46.5 -53.5 -59.0 10.2 -5.9 26.1 63 80 A M H X S+ 0 0 51 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.860 110.7 53.3 -54.3 -40.2 8.7 -6.9 22.7 64 81 A R H X S+ 0 0 52 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.877 108.4 50.6 -64.4 -37.5 7.6 -3.3 22.1 65 82 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -3,-0.4 5,-0.3 0.920 111.1 46.9 -66.0 -46.0 11.2 -2.1 22.7 66 83 A V H X S+ 0 0 8 -4,-2.2 4,-1.0 4,-0.2 -2,-0.2 0.917 116.4 47.4 -60.8 -43.7 12.7 -4.6 20.3 67 84 A E H < S+ 0 0 131 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.936 124.7 25.0 -65.2 -52.6 10.1 -3.7 17.7 68 85 A K H < S+ 0 0 128 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.591 136.0 29.1 -94.3 -10.6 10.2 0.1 17.8 69 86 A Y H < S- 0 0 67 -4,-2.2 -20,-0.2 -5,-0.3 -21,-0.2 0.332 90.3-136.1-128.6 3.9 13.8 0.6 19.1 70 87 A D < + 0 0 59 -4,-1.0 -22,-1.6 -5,-0.3 2,-0.3 0.896 53.1 142.0 37.5 67.4 15.6 -2.4 17.8 71 88 A V - 0 0 0 -6,-0.2 -21,-0.2 -24,-0.2 -1,-0.1 -0.893 56.9-104.4-131.7 161.1 17.5 -3.1 21.0 72 89 A N E -a 50 0A 35 -23,-2.0 -21,-2.2 -2,-0.3 2,-0.3 -0.425 43.3-154.9 -75.6 162.6 18.5 -6.2 22.9 73 90 A V E -ac 51 99A 2 25,-2.9 27,-3.2 -23,-0.2 2,-0.5 -0.976 21.7-168.4-151.3 136.1 16.4 -6.8 26.0 74 91 A V E -ac 52 100A 4 -23,-3.1 -21,-2.8 -2,-0.3 2,-0.4 -0.984 16.8-166.0-121.6 124.8 16.6 -8.4 29.4 75 92 A G E -ac 53 101A 0 25,-3.2 27,-3.9 -2,-0.5 2,-0.4 -0.916 4.4-160.1-117.3 140.9 13.5 -8.9 31.5 76 93 A L E +ac 54 102A 2 -23,-2.4 -20,-2.6 -2,-0.4 -21,-1.4 -0.922 18.1 157.9-118.8 141.1 13.0 -9.8 35.2 77 94 A T - 0 0 7 25,-2.1 27,-0.1 -2,-0.4 -2,-0.0 -0.980 39.3-146.6-158.4 151.1 10.0 -11.2 36.9 78 95 A L S S+ 0 0 133 -2,-0.3 2,-0.6 25,-0.1 25,-0.1 0.166 75.3 101.4-102.7 13.4 9.1 -13.1 40.1 79 96 A S > - 0 0 25 1,-0.2 4,-2.4 25,-0.1 5,-0.2 -0.891 57.2-161.2-105.3 115.4 6.2 -14.9 38.2 80 97 A K H > S+ 0 0 171 -2,-0.6 4,-3.1 1,-0.2 5,-0.2 0.946 96.2 49.3 -54.2 -51.3 6.8 -18.4 37.0 81 98 A N H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.871 110.6 48.6 -57.8 -42.7 3.9 -18.1 34.6 82 99 A Q H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.902 114.4 45.9 -66.7 -40.2 5.1 -14.7 33.2 83 100 A A H X S+ 0 0 4 -4,-2.4 4,-3.6 2,-0.2 5,-0.3 0.962 112.6 50.0 -65.7 -52.1 8.6 -16.1 32.6 84 101 A N H X S+ 0 0 84 -4,-3.1 4,-2.5 -5,-0.2 5,-0.2 0.961 113.6 48.0 -46.0 -59.6 7.3 -19.2 31.1 85 102 A H H X S+ 0 0 72 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.907 115.8 40.4 -50.0 -57.2 5.1 -17.1 28.8 86 103 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.900 111.9 57.3 -64.9 -37.9 7.7 -14.7 27.7 87 104 A Q H X S+ 0 0 106 -4,-3.6 4,-1.3 -5,-0.2 -1,-0.2 0.904 109.1 46.3 -58.1 -41.9 10.3 -17.5 27.4 88 105 A Q H < S+ 0 0 131 -4,-2.5 3,-0.4 -5,-0.3 -1,-0.2 0.917 111.3 51.6 -65.3 -44.1 8.0 -19.3 24.9 89 106 A L H < S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.850 113.1 46.3 -59.9 -35.3 7.4 -16.1 23.0 90 107 A V H >< S+ 0 0 26 -4,-2.3 3,-0.6 -5,-0.2 -1,-0.2 0.673 85.3 116.7 -82.8 -21.1 11.2 -15.5 22.7 91 108 A A T 3< S+ 0 0 50 -4,-1.3 -3,-0.0 -3,-0.4 -4,-0.0 -0.117 79.2 14.6 -52.3 145.1 12.1 -19.1 21.7 92 109 A N T 3 S- 0 0 166 1,-0.2 2,-0.7 2,-0.1 -1,-0.2 0.869 82.2-178.6 57.1 42.8 13.7 -19.5 18.2 93 110 A S < + 0 0 48 -3,-0.6 -1,-0.2 1,-0.2 6,-0.1 -0.632 18.5 176.8 -78.9 112.5 14.4 -15.8 17.9 94 111 A E + 0 0 143 -2,-0.7 -1,-0.2 2,-0.1 -2,-0.1 0.815 45.4 118.5 -79.7 -33.0 16.0 -15.1 14.5 95 112 A N S S- 0 0 56 1,-0.2 2,-0.5 -3,-0.1 4,-0.1 0.012 75.6-126.6 -37.2 130.6 16.0 -11.4 15.3 96 113 A L S S+ 0 0 151 2,-0.1 2,-0.4 -24,-0.0 -1,-0.2 0.006 88.4 87.6 -74.9 30.8 19.5 -10.1 15.4 97 114 A R S S- 0 0 60 -2,-0.5 2,-0.1 -26,-0.1 -26,-0.1 -0.990 82.6-119.4-135.7 123.6 18.7 -8.7 18.9 98 115 A S - 0 0 61 -2,-0.4 -25,-2.9 1,-0.0 2,-0.4 -0.368 26.0-171.1 -65.1 134.7 19.1 -10.7 22.1 99 116 A K E +c 73 0A 39 -27,-0.2 2,-0.4 -9,-0.1 -25,-0.2 -0.956 10.6 173.6-130.5 111.3 15.9 -11.3 24.2 100 117 A R E -c 74 0A 87 -27,-3.2 -25,-3.2 -2,-0.4 2,-0.4 -0.964 16.1-161.9-126.8 136.3 16.3 -12.7 27.6 101 118 A V E -c 75 0A 15 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.944 10.2-166.1-115.9 135.0 13.9 -13.4 30.5 102 119 A L E -c 76 0A 50 -27,-3.9 -25,-2.1 -2,-0.4 2,-1.5 -0.968 21.9-147.6-125.8 132.1 14.9 -14.0 34.0 103 120 A L + 0 0 101 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.1 -0.526 68.0 101.9 -91.6 67.0 13.0 -15.3 37.0 104 121 A A S S- 0 0 24 -2,-1.5 2,-0.2 -27,-0.1 -27,-0.2 -0.891 72.4-103.4-141.1 170.4 14.9 -13.2 39.5 105 122 A G > - 0 0 2 -2,-0.3 3,-2.3 1,-0.1 4,-0.2 -0.611 34.5-111.4 -94.6 159.1 14.5 -10.0 41.5 106 123 A W G > S+ 0 0 54 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.834 116.9 66.4 -58.0 -29.8 16.2 -6.7 40.6 107 124 A E G 3 S+ 0 0 70 1,-0.3 -1,-0.3 3,-0.0 26,-0.0 0.440 102.1 48.5 -71.7 4.4 18.3 -7.2 43.8 108 125 A Q G < S+ 0 0 116 -3,-2.3 2,-0.4 0, 0.0 -1,-0.3 0.256 86.5 103.1-125.4 9.0 19.9 -10.2 42.1 109 126 A F < + 0 0 8 -3,-1.6 2,-0.0 -4,-0.2 -33,-0.0 -0.815 36.8 170.2 -97.8 134.1 20.7 -8.7 38.7 110 127 A D + 0 0 109 -2,-0.4 -1,-0.0 2,-0.1 -3,-0.0 -0.468 28.9 122.6-142.0 66.1 24.3 -7.7 38.0 111 128 A E - 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0 0 6 -5,-2.0 2,-0.4 67,-0.2 -1,-0.3 -0.797 47.2-155.9-122.8 165.0 20.7 10.3 39.5 204 221 A T E -G 269 0A 84 65,-1.0 65,-1.7 -2,-0.3 2,-1.0 -0.885 22.2-133.0-142.9 106.4 18.8 13.5 38.5 205 222 A V E +G 268 0A 23 -2,-0.4 63,-0.2 -10,-0.3 3,-0.1 -0.417 26.1 179.3 -62.7 97.9 15.1 13.4 38.0 206 223 A T E + 0 0 98 61,-2.0 2,-0.3 -2,-1.0 -1,-0.2 0.824 64.0 5.3 -70.7 -35.6 14.6 15.2 34.7 207 224 A R E -G 267 0A 121 60,-1.0 60,-1.5 2,-0.0 2,-0.4 -0.996 51.0-157.5-151.3 154.3 10.8 14.9 34.6 208 225 A V E -G 266 0A 44 -2,-0.3 2,-0.5 58,-0.2 58,-0.2 -0.877 19.3-169.9-134.3 98.9 7.9 13.8 36.6 209 226 A Q E -G 265 0A 25 56,-2.4 56,-2.3 -2,-0.4 2,-0.3 -0.818 8.8-149.8 -98.0 126.4 4.9 13.0 34.5 210 227 A S E -G 264 0A 54 -2,-0.5 54,-0.2 54,-0.2 -2,-0.0 -0.725 17.7-179.1 -93.6 138.7 1.5 12.3 36.2 211 228 A L > + 0 0 0 52,-2.4 4,-1.7 -2,-0.3 53,-0.1 -0.037 38.4 132.3-122.3 27.7 -1.1 10.0 34.7 212 229 A Q H > S+ 0 0 25 51,-0.2 4,-1.3 1,-0.2 3,-0.2 0.873 70.8 48.6 -48.2 -50.9 -3.6 10.5 37.5 213 230 A P H >> S+ 0 0 92 0, 0.0 4,-1.5 0, 0.0 3,-0.8 0.964 109.1 54.7 -55.8 -53.0 -6.6 11.1 35.1 214 231 A H H 3> S+ 0 0 37 1,-0.3 4,-2.7 2,-0.2 -195,-0.3 0.815 102.5 55.4 -49.7 -40.4 -5.7 8.0 33.1 215 232 A Y H 3X S+ 0 0 4 -4,-1.7 4,-2.8 -3,-0.2 5,-0.3 0.855 101.6 57.9 -66.8 -33.9 -5.8 5.7 36.1 216 233 A A H < S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 7,-0.2 0.920 109.6 51.1 -61.9 -44.5 -14.9 -7.5 35.5 227 244 A Q H >< S+ 0 0 132 -4,-2.8 3,-1.8 1,-0.3 4,-0.2 0.890 104.7 57.0 -59.8 -40.3 -18.6 -6.9 36.0 228 245 A A H 3< S+ 0 0 83 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.713 114.0 40.9 -63.9 -19.1 -19.4 -8.1 32.5 229 246 A N T S+ 0 0 79 -3,-1.8 4,-3.2 1,-0.2 5,-0.3 0.911 72.7 56.0 -49.1 -46.3 -19.1 -11.6 37.0 231 248 A G H > S+ 0 0 55 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.950 111.7 38.7 -51.6 -60.7 -20.2 -15.1 36.1 232 249 A Q H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.919 115.7 55.1 -57.5 -45.7 -16.8 -16.4 35.2 233 250 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.3 3,-0.3 0.938 109.2 44.9 -53.9 -52.9 -15.2 -14.4 38.0 234 251 A I H < S+ 0 0 53 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.797 114.7 52.6 -62.6 -26.8 -17.4 -16.0 40.7 235 252 A A H < S+ 0 0 82 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.800 112.9 41.0 -78.4 -32.5 -16.7 -19.3 39.0 236 253 A L H < S- 0 0 80 -4,-2.3 -2,-0.2 -3,-0.3 -3,-0.2 0.847 140.8 -3.1 -83.0 -38.7 -12.9 -19.0 39.1 237 254 A Q S < S- 0 0 55 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.423 102.1 -84.7-115.7-103.2 -12.7 -17.5 42.5 238 255 A S > - 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L 0 534B 13 -2,-0.3 2,-0.3 111,-0.3 111,-0.3 -0.478 43.9-158.6 -69.4 147.3 24.6 6.7 64.2 424 170 B T E - L 0 533B 3 109,-3.8 109,-3.0 35,-0.1 2,-0.3 -0.960 12.2-149.6-134.7 152.5 24.1 9.7 61.9 425 171 B G E -mL 461 532B 9 35,-2.3 37,-0.5 -2,-0.3 2,-0.3 -0.730 36.2 -88.8-111.8 165.3 25.7 11.2 58.8 426 172 B L - 0 0 30 105,-0.6 35,-0.1 -2,-0.3 33,-0.1 -0.583 30.0-137.8 -83.7 132.8 25.9 14.8 57.7 427 173 B H >> - 0 0 59 -2,-0.3 3,-1.6 1,-0.1 4,-0.8 -0.527 31.5-109.8 -78.9 149.3 23.3 16.4 55.6 428 174 B P T >4 S+ 0 0 99 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.854 119.2 56.3 -50.7 -33.1 24.7 18.6 52.9 429 175 B K T 3> S+ 0 0 127 1,-0.2 4,-0.6 2,-0.1 3,-0.2 0.745 101.3 55.9 -71.5 -24.7 23.4 21.7 54.8 430 176 B E H <> S+ 0 0 15 -3,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.633 84.2 86.4 -83.2 -14.3 25.2 20.8 58.0 431 177 B I H <<>S+ 0 0 16 -4,-0.8 5,-1.9 -3,-0.7 3,-0.3 0.923 92.8 41.2 -51.1 -55.5 28.6 20.7 56.3 432 178 B H H >45S+ 0 0 127 -4,-0.4 3,-2.5 1,-0.2 -1,-0.2 0.923 110.8 56.3 -61.7 -46.6 29.3 24.4 56.6 433 179 B E H 3<5S+ 0 0 141 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.817 103.6 55.8 -54.6 -34.2 27.9 24.7 60.1 434 180 B R T 3<5S- 0 0 84 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.425 117.1-116.3 -80.5 0.6 30.4 22.0 61.2 435 181 B G T < 5 + 0 0 65 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.707 66.0 146.8 72.0 19.8 33.2 24.1 59.8 436 182 B L < - 0 0 24 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.0 -0.432 61.1 -74.7 -85.9 162.4 34.1 21.6 57.2 437 183 B P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.318 35.3-150.2 -56.0 130.5 35.5 22.3 53.7 438 184 B M + 0 0 122 -3,-0.1 2,-0.1 4,-0.1 -6,-0.1 0.129 57.3 119.3 -91.7 23.0 32.7 23.7 51.5 439 185 B S S > S- 0 0 57 1,-0.1 4,-1.5 4,-0.0 5,-0.1 -0.362 70.7-126.5 -84.1 167.1 34.3 22.3 48.4 440 186 B F H > S+ 0 0 176 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.828 110.0 56.5 -78.9 -37.0 32.8 19.7 46.0 441 187 B T H > S+ 0 0 115 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.906 107.6 49.5 -63.4 -40.6 35.8 17.5 46.2 442 188 B F H > S+ 0 0 26 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.936 110.0 49.5 -65.4 -46.3 35.4 17.3 50.0 443 189 B A H X S+ 0 0 50 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.932 114.2 45.7 -57.6 -47.1 31.6 16.5 49.8 444 190 B R H X S+ 0 0 191 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.937 114.2 49.3 -61.5 -46.7 32.4 13.7 47.3 445 191 B F H X S+ 0 0 93 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.972 112.1 47.4 -54.7 -57.7 35.3 12.5 49.4 446 192 B L H X S+ 0 0 11 -4,-3.6 4,-2.5 1,-0.2 5,-0.3 0.906 111.5 51.0 -51.1 -47.2 33.1 12.5 52.6 447 193 B K H X S+ 0 0 109 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.925 112.3 47.5 -57.8 -45.6 30.3 10.6 50.7 448 194 B F H X S+ 0 0 114 -4,-2.7 4,-2.2 1,-0.2 5,-0.4 0.940 112.8 46.6 -61.4 -51.1 32.8 8.0 49.5 449 195 B I H X>S+ 0 0 18 -4,-2.8 5,-1.9 2,-0.2 4,-1.7 0.903 115.5 44.9 -61.2 -44.4 34.5 7.4 52.9 450 196 B V H <5S+ 0 0 16 -4,-2.5 6,-2.0 -5,-0.2 7,-1.8 0.947 121.3 36.6 -65.7 -49.4 31.2 7.2 54.9 451 197 B T H <5S+ 0 0 42 -4,-2.2 -2,-0.2 5,-0.3 -1,-0.2 0.690 128.7 31.0 -80.3 -20.0 29.4 4.9 52.4 452 198 B E H <5S+ 0 0 130 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.608 133.1 2.5-114.1 -16.6 32.3 2.7 51.3 453 199 B I T <5S+ 0 0 54 -4,-1.7 -3,-0.2 -5,-0.4 -4,-0.1 0.559 107.8 58.8-131.9 -74.6 34.7 2.5 54.2 454 200 B F S -m 425 0B 9 -37,-0.2 4,-2.2 -2,-0.2 5,-0.2 -0.747 19.9-111.9-106.9 159.0 20.9 12.6 58.8 462 208 B I H > S+ 0 0 23 -37,-0.5 4,-3.0 -2,-0.3 5,-0.2 0.913 118.7 50.6 -55.9 -45.2 19.5 14.7 61.6 463 209 B P H > S+ 0 0 26 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.931 108.8 53.6 -59.9 -40.7 17.2 16.6 59.3 464 210 B M H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.939 113.4 40.7 -56.4 -51.5 16.0 13.4 57.8 465 211 B V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.919 113.2 54.4 -65.3 -44.7 15.0 12.0 61.2 466 212 B Q H X S+ 0 0 68 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.920 112.6 44.7 -53.7 -45.1 13.7 15.3 62.4 467 213 B E H X S+ 0 0 54 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.920 112.6 50.3 -65.6 -46.4 11.4 15.4 59.3 468 214 B C H X S+ 0 0 13 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.884 111.0 49.5 -60.5 -40.5 10.3 11.7 59.7 469 215 B A H ><>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 3,-0.8 0.943 112.9 44.8 -66.4 -50.1 9.4 12.2 63.4 470 216 B S H ><5S+ 0 0 68 -4,-2.0 3,-2.7 1,-0.2 -2,-0.2 0.944 107.9 58.6 -58.7 -49.7 7.3 15.3 62.8 471 217 B A H 3<5S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.747 109.7 46.0 -53.2 -24.2 5.6 13.7 59.8 472 218 B N T <<5S- 0 0 10 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.182 126.1 -95.9-107.3 16.8 4.5 11.0 62.2 473 219 B G T < 5S+ 0 0 22 -3,-2.7 -3,-0.2 1,-0.3 2,-0.2 0.463 81.4 126.9 89.7 0.8 3.3 13.1 65.0 474 220 B F < - 0 0 3 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.573 47.9-145.9 -91.5 158.4 6.3 13.1 67.3 475 221 B T E -N 540 0B 88 65,-2.1 65,-3.1 -2,-0.2 2,-1.1 -0.993 14.1-138.0-121.9 124.4 8.1 16.1 68.7 476 222 B V E +N 539 0B 25 -2,-0.5 63,-0.2 63,-0.2 3,-0.1 -0.752 25.8 175.0 -88.0 99.9 11.9 15.8 69.0 477 223 B T E + 0 0 83 61,-1.4 2,-0.3 -2,-1.1 -1,-0.2 0.472 66.5 15.7 -83.5 -6.3 12.5 17.5 72.4 478 224 B R E -N 538 0B 122 60,-0.8 60,-2.5 -3,-0.1 2,-0.4 -0.903 48.2-169.4-170.1 142.1 16.1 16.6 72.4 479 225 B V E -N 537 0B 48 -2,-0.3 2,-0.5 58,-0.2 58,-0.2 -0.953 21.7-169.4-132.6 105.7 18.9 15.5 70.1 480 226 B Q E -N 536 0B 21 56,-2.5 56,-2.3 -2,-0.4 2,-0.3 -0.898 10.2-145.5-105.5 126.0 22.0 14.5 72.2 481 227 B S E +N 535 0B 50 -2,-0.5 54,-0.2 54,-0.2 -2,-0.0 -0.682 19.0 179.7 -90.9 140.6 25.3 13.8 70.4 482 228 B L > + 0 0 0 52,-2.5 4,-1.5 -2,-0.3 3,-0.5 -0.024 38.3 132.2-122.4 22.1 27.7 11.1 71.7 483 229 B Q H >> S+ 0 0 41 51,-0.3 4,-1.4 1,-0.3 3,-0.6 0.865 72.5 43.7 -43.0 -57.9 30.4 11.8 69.0 484 230 B P H 3> S+ 0 0 90 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.852 111.3 59.7 -59.9 -33.8 33.5 12.0 71.2 485 231 B H H 3> S+ 0 0 38 -3,-0.5 4,-2.6 1,-0.2 -195,-0.4 0.816 101.6 51.0 -64.3 -34.1 32.1 8.9 73.1 486 232 B Y H < S+ 0 0 121 -4,-2.6 3,-1.9 1,-0.3 4,-0.2 0.915 105.1 54.0 -59.8 -43.3 44.4 -6.3 69.8 499 245 B A H 3< S+ 0 0 84 -4,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.789 113.4 44.7 -62.1 -25.2 44.9 -7.7 73.3 500 246 B N T 3X S+ 0 0 43 -4,-0.8 4,-3.4 -3,-0.4 -1,-0.3 0.024 74.5 123.8-108.0 28.8 43.0 -10.8 72.0 501 247 B K H <> S+ 0 0 77 -3,-1.9 4,-2.2 2,-0.2 5,-0.2 0.893 75.3 49.8 -54.5 -45.4 44.8 -11.1 68.7 502 248 B G H > S+ 0 0 53 -3,-0.3 4,-1.7 -4,-0.2 3,-0.3 0.976 114.4 43.3 -59.1 -54.4 45.9 -14.7 69.4 503 249 B Q H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.912 111.2 56.4 -56.8 -43.6 42.3 -15.7 70.3 504 250 B A H X S+ 0 0 0 -4,-3.4 4,-2.1 -7,-0.3 -1,-0.2 0.859 108.4 46.6 -56.5 -40.2 41.0 -13.7 67.4 505 251 B I H < S+ 0 0 60 -4,-2.2 -1,-0.3 -3,-0.3 -2,-0.2 0.790 106.7 58.6 -74.1 -27.7 43.2 -15.7 65.0 506 252 B A H < S+ 0 0 89 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.885 114.4 38.1 -67.8 -37.2 42.1 -19.0 66.7 507 253 B L H < S- 0 0 65 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.1 0.982 139.1 -10.2 -74.2 -68.7 38.5 -18.2 65.8 508 254 B Q S < S- 0 0 63 -4,-2.1 2,-0.3 1,-0.2 -3,-0.1 0.616 97.6 -77.7 -99.3-106.9 38.7 -16.6 62.4 509 255 B S > - 0 0 33 -5,-0.1 4,-2.2 1,-0.1 -1,-0.2 -0.969 32.8 -97.6-158.5 167.3 42.0 -15.6 60.8 510 256 B E H > S+ 0 0 98 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.836 120.4 58.3 -60.9 -32.2 44.7 -13.0 60.8 511 257 B E H > S+ 0 0 134 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.993 107.7 43.1 -58.6 -64.7 43.0 -11.4 57.8 512 258 B V H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 114.7 53.0 -49.8 -39.8 39.6 -10.9 59.5 513 259 B Y H X S+ 0 0 10 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.933 112.8 42.1 -63.7 -46.9 41.6 -9.7 62.6 514 260 B E H X S+ 0 0 88 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.863 111.8 55.9 -67.8 -36.4 43.5 -7.1 60.6 515 261 B R H X S+ 0 0 137 -4,-3.3 4,-2.0 -5,-0.2 -1,-0.2 0.894 110.2 45.6 -62.8 -39.8 40.4 -6.1 58.7 516 262 B Y H X S+ 0 0 15 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.826 107.6 56.3 -74.1 -32.2 38.6 -5.3 61.9 517 263 B M H X S+ 0 0 31 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.914 111.8 43.5 -64.3 -42.0 41.5 -3.4 63.4 518 264 B K H X S+ 0 0 137 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.923 116.0 47.5 -67.7 -46.0 41.5 -1.1 60.4 519 265 B Y H X S+ 0 0 41 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.957 115.2 43.9 -61.8 -53.0 37.8 -0.7 60.4 520 266 B L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.930 118.3 44.8 -58.8 -46.1 37.4 -0.1 64.1 521 267 B T H X S+ 0 0 71 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.889 113.1 51.0 -66.5 -38.3 40.4 2.3 64.1 522 268 B G H X S+ 0 0 11 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.870 111.3 47.4 -66.7 -37.6 39.2 4.1 60.9 523 269 B C H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.878 106.7 56.9 -70.7 -38.6 35.7 4.6 62.4 524 270 B A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 3,-0.3 0.949 108.7 48.1 -56.7 -47.0 37.1 5.9 65.6 525 271 B E H X S+ 0 0 92 -4,-1.9 4,-2.7 1,-0.2 6,-0.2 0.847 105.0 58.8 -62.6 -36.7 38.9 8.6 63.6 526 272 B M H <>S+ 0 0 11 -4,-1.5 5,-2.0 2,-0.2 6,-1.0 0.883 112.2 39.9 -61.3 -38.8 35.7 9.4 61.6 527 273 B F H ><5S+ 0 0 0 -4,-1.9 3,-1.3 -3,-0.3 -2,-0.2 0.926 114.5 52.9 -74.9 -44.7 33.9 10.3 64.8 528 274 B R H 3<5S+ 0 0 115 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.862 113.3 43.2 -57.1 -41.6 37.0 12.0 66.3 529 275 B I T 3<5S- 0 0 85 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.417 117.1-115.7 -87.2 0.8 37.4 14.2 63.3 530 276 B G T < 5S+ 0 0 11 -3,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.601 76.7 126.4 78.5 14.2 33.7 14.9 63.1 531 277 B Y S