==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-NOV-11 3UJA . COMPND 2 MOLECULE: PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR S.G.LEE,Y.KIM,T.D.ALPERT,A.NAGATA,J.M.JEZ . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.6 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 . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 1 1 3 1 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 0 1 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 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 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 10 A D > 0 0 103 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -40.3 31.9 8.8 21.6 2 11 A K H > + 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 360.0 45.6 -54.1 -49.8 32.3 9.8 17.9 3 12 A T H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 110.8 53.9 -64.7 -41.0 32.3 6.2 16.7 4 13 A F H > S+ 0 0 43 1,-0.2 4,-0.6 2,-0.2 5,-0.4 0.927 113.4 42.1 -59.1 -46.5 29.4 5.2 18.9 5 14 A L H ><>S+ 0 0 6 -4,-2.5 5,-2.6 1,-0.2 3,-0.7 0.925 115.4 48.8 -67.4 -44.3 27.2 8.0 17.5 6 15 A E H 3<5S+ 0 0 36 -4,-2.7 -1,-0.2 1,-0.2 6,-0.2 0.790 115.5 43.7 -67.0 -28.2 28.3 7.5 13.9 7 16 A N H 3<5S+ 0 0 101 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.464 128.0 15.7 -98.1 -4.5 27.8 3.7 13.9 8 17 A N T X<5S+ 0 0 91 -3,-0.7 3,-1.2 -4,-0.6 -3,-0.2 0.389 128.2 18.0-131.7 -93.9 24.4 3.6 15.8 9 18 A Q T 3 5S+ 0 0 26 -5,-0.4 -3,-0.1 1,-0.3 -4,-0.1 0.857 131.9 38.1 -59.8 -35.9 22.0 6.5 16.3 10 19 A Y T 3 S- 0 0 46 -3,-1.2 4,-2.6 1,-0.1 5,-0.2 -0.345 71.8 -96.9 -61.1 162.7 24.4 6.3 10.8 12 21 A D H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.922 128.5 44.1 -52.0 -48.1 23.8 7.9 7.4 13 22 A E H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 110.4 54.6 -67.0 -39.4 20.4 6.1 7.2 14 23 A G H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 109.1 49.1 -58.0 -41.0 19.5 7.0 10.8 15 24 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.922 110.9 49.5 -64.7 -44.2 20.1 10.6 10.0 16 25 A K H X S+ 0 0 107 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.880 109.4 51.9 -65.4 -37.6 17.9 10.5 6.9 17 26 A V H X S+ 0 0 13 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.945 110.7 47.9 -61.5 -46.4 15.1 8.8 8.9 18 27 A Y H X S+ 0 0 30 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.915 109.9 53.0 -60.3 -41.5 15.3 11.5 11.5 19 28 A E H X S+ 0 0 29 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.872 102.9 59.1 -63.9 -34.6 15.3 14.2 8.7 20 29 A F H < S+ 0 0 31 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.933 116.4 31.9 -58.1 -46.2 12.1 12.6 7.2 21 30 A I H < S+ 0 0 7 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.858 123.9 43.2 -85.0 -36.4 10.2 13.1 10.4 22 31 A F H < S- 0 0 14 -4,-3.0 10,-0.3 4,-0.3 -3,-0.2 0.822 116.0-102.5 -78.1 -32.1 11.7 16.4 11.8 23 32 A G >< - 0 0 25 -4,-2.2 3,-2.3 -5,-0.3 -1,-0.2 -0.304 53.2 -38.1 121.2 155.0 11.9 18.2 8.4 24 33 A E T 3 S+ 0 0 148 1,-0.3 8,-0.1 -4,-0.1 3,-0.1 -0.145 127.3 6.5 -49.4 126.9 14.4 19.0 5.7 25 34 A N T 3 S+ 0 0 33 1,-0.2 34,-2.2 6,-0.0 2,-0.4 0.459 110.9 104.4 79.8 4.4 17.8 20.0 7.2 26 35 A Y < + 0 0 15 -3,-2.3 -3,-0.3 -7,-0.2 -4,-0.3 -0.936 33.2 165.6-123.6 141.5 16.8 19.0 10.8 27 36 A I + 0 0 27 -2,-0.4 2,-0.3 -5,-0.1 -1,-0.1 0.107 64.7 90.2-126.6 17.4 17.5 16.2 13.1 28 37 A S S > S- 0 0 17 -5,-0.1 3,-1.9 1,-0.1 91,-0.1 -0.846 90.2 -74.9-116.2 150.2 16.2 18.1 16.2 29 38 A S T 3 S+ 0 0 1 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.067 112.4 6.0 -40.9 127.2 12.7 18.3 17.8 30 39 A G T >> S- 0 0 10 174,-0.1 4,-1.9 4,-0.1 3,-0.6 0.359 88.6-148.7 82.9 -5.3 10.2 20.5 15.9 31 40 A G H <> - 0 0 0 -3,-1.9 4,-1.7 1,-0.2 -8,-0.2 -0.049 67.6 -8.9 44.0-133.3 12.4 21.2 12.9 32 41 A L H 3> S+ 0 0 72 -10,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.886 135.2 54.1 -63.4 -43.8 11.9 24.6 11.3 33 42 A E H <> S+ 0 0 115 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.914 109.8 46.4 -63.2 -43.1 8.7 25.6 13.2 34 43 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.887 110.7 54.8 -64.2 -39.1 10.3 25.1 16.6 35 44 A T H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.918 106.1 50.7 -61.8 -43.9 13.4 27.0 15.5 36 45 A K H < S+ 0 0 87 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.931 114.5 44.7 -58.0 -44.3 11.3 29.9 14.4 37 46 A K H >< S+ 0 0 110 -4,-1.9 3,-1.3 1,-0.2 4,-0.3 0.927 111.4 50.8 -66.6 -47.6 9.6 29.9 17.9 38 47 A I H 3< S+ 0 0 6 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.805 116.5 42.0 -61.2 -31.1 12.9 29.5 19.9 39 48 A L T >< S+ 0 0 0 -4,-1.8 3,-1.7 -5,-0.2 -1,-0.3 0.352 83.4 104.7 -97.0 5.5 14.5 32.4 18.1 40 49 A S T < S+ 0 0 76 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.753 87.6 36.1 -66.2 -25.9 11.5 34.7 18.1 41 50 A D T 3 S+ 0 0 82 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.3 0.158 94.4 110.0-110.4 16.2 12.9 37.0 20.9 42 51 A I < - 0 0 8 -3,-1.7 2,-0.5 2,-0.0 -3,-0.0 -0.806 53.1-154.9 -97.8 132.3 16.5 36.8 19.8 43 52 A E + 0 0 161 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.928 28.9 141.6-110.8 123.2 18.2 39.9 18.3 44 53 A L - 0 0 27 -2,-0.5 2,-0.2 4,-0.1 26,-0.0 -0.928 22.3-165.5-145.5 167.9 21.2 39.5 15.9 45 54 A N > - 0 0 70 -2,-0.3 3,-1.9 24,-0.1 26,-0.3 -0.802 47.1 -70.7-146.7-170.1 22.5 41.2 12.8 46 55 A E T 3 S+ 0 0 107 1,-0.3 23,-0.1 -2,-0.2 25,-0.1 0.676 128.1 51.5 -63.7 -17.0 24.9 40.9 9.9 47 56 A N T 3 S+ 0 0 113 23,-0.1 -1,-0.3 2,-0.1 23,-0.1 0.486 86.0 112.0 -96.3 -5.4 27.8 41.5 12.3 48 57 A S < - 0 0 9 -3,-1.9 23,-2.7 20,-0.2 2,-0.5 -0.359 57.0-145.4 -71.0 147.8 26.8 38.9 14.9 49 58 A K E -a 71 0A 74 21,-0.2 64,-2.4 62,-0.1 65,-1.5 -0.976 19.1-170.9-114.7 124.9 28.9 35.7 15.4 50 59 A V E -ab 72 114A 2 21,-2.8 23,-2.1 -2,-0.5 2,-0.5 -0.926 13.3-158.9-121.0 136.8 27.0 32.6 16.3 51 60 A L E -ab 73 115A 0 63,-2.4 65,-3.0 -2,-0.4 2,-0.6 -0.976 5.9-162.3-110.0 129.0 28.2 29.1 17.5 52 61 A D E > -ab 74 116A 6 21,-2.7 23,-2.7 -2,-0.5 2,-0.7 -0.943 7.3-155.8-110.6 110.9 25.9 26.1 17.0 53 62 A I E 3 S+a 75 0A 9 63,-2.6 65,-0.5 -2,-0.6 23,-0.2 -0.780 84.1 14.0 -90.5 112.8 26.9 23.2 19.2 54 63 A G T 3 S+ 0 0 22 21,-3.0 64,-0.3 -2,-0.7 -1,-0.3 0.883 77.4 179.8 87.0 54.0 25.6 20.0 17.6 55 64 A S X + 0 0 8 20,-1.6 3,-2.2 -3,-0.6 5,-0.3 0.603 10.0 179.9 -72.3 -12.1 24.8 21.6 14.3 56 65 A G T 3 - 0 0 3 1,-0.3 29,-0.2 19,-0.2 -1,-0.2 -0.180 68.2 -8.0 57.9-133.3 23.5 18.4 12.7 57 66 A L T 3 S- 0 0 1 -32,-0.2 -1,-0.3 27,-0.1 31,-0.1 0.479 101.8-108.8 -80.8 -2.7 22.3 18.8 9.1 58 67 A G S <> S+ 0 0 0 -3,-2.2 4,-2.6 3,-0.0 5,-0.2 0.389 78.3 130.4 99.5 -1.4 22.7 22.6 9.4 59 68 A G H > S+ 0 0 3 -34,-2.2 4,-2.4 1,-0.2 5,-0.2 0.858 74.4 52.3 -51.0 -43.5 19.1 23.7 9.4 60 69 A G H > S+ 0 0 7 -5,-0.3 4,-2.6 -35,-0.3 -1,-0.2 0.928 111.9 44.5 -60.7 -49.3 19.6 25.9 12.5 61 70 A C H > S+ 0 0 1 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.880 112.4 53.2 -62.9 -39.7 22.6 27.7 11.0 62 71 A M H X S+ 0 0 30 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.921 112.0 45.1 -61.8 -43.5 20.8 28.1 7.7 63 72 A Y H X S+ 0 0 34 -4,-2.4 4,-3.1 -5,-0.2 5,-0.3 0.924 112.7 49.5 -66.4 -46.1 17.9 29.7 9.5 64 73 A I H X>S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 6,-0.7 0.921 113.9 46.1 -61.6 -43.3 19.9 32.0 11.7 65 74 A N H X5S+ 0 0 23 -4,-2.6 4,-1.5 4,-0.2 -1,-0.2 0.891 114.8 48.3 -67.2 -36.8 21.9 33.2 8.7 66 75 A E H <5S+ 0 0 154 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.919 116.6 40.8 -65.5 -46.6 18.8 33.7 6.7 67 76 A K H <5S+ 0 0 84 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.911 135.6 13.4 -71.2 -42.3 16.9 35.6 9.3 68 77 A Y H <5S- 0 0 25 -4,-2.4 -3,-0.2 -5,-0.3 -20,-0.2 0.596 88.2-124.0-113.3 -18.2 19.7 37.8 10.6 69 78 A G << + 0 0 23 -4,-1.5 -4,-0.2 -5,-0.6 -3,-0.1 0.636 58.0 159.8 77.7 13.6 22.6 37.6 8.1 70 79 A A - 0 0 0 -6,-0.7 2,-0.5 1,-0.1 -1,-0.2 -0.221 50.6-105.1 -68.4 154.8 24.8 36.5 11.0 71 80 A H E -a 49 0A 79 -23,-2.7 -21,-2.8 -26,-0.3 2,-0.4 -0.714 44.2-164.6 -74.2 123.8 28.1 34.6 10.8 72 81 A T E -ac 50 95A 5 22,-3.3 24,-1.8 -2,-0.5 2,-0.5 -0.955 16.4-175.5-119.7 135.5 27.3 31.1 11.8 73 82 A H E -ac 51 96A 38 -23,-2.1 -21,-2.7 -2,-0.4 2,-0.4 -0.974 10.5-166.2-127.8 113.4 29.8 28.3 12.8 74 83 A G E -ac 52 97A 0 22,-3.2 24,-2.1 -2,-0.5 2,-0.4 -0.838 2.1-166.5-103.3 139.7 28.4 24.9 13.5 75 84 A I E +ac 53 98A 3 -23,-2.7 -21,-3.0 -2,-0.4 -20,-1.6 -0.980 12.1 166.6-122.5 137.0 30.2 22.1 15.2 76 85 A D E - c 0 99A 18 22,-2.1 24,-1.4 -2,-0.4 6,-0.1 -0.990 33.5-141.6-146.5 140.0 29.2 18.4 15.3 77 86 A I S S+ 0 0 33 -2,-0.3 2,-0.8 22,-0.2 24,-0.1 0.769 81.5 87.5 -74.5 -22.6 31.3 15.4 16.3 78 87 A C > - 0 0 2 1,-0.2 4,-2.1 22,-0.1 3,-0.2 -0.669 59.8-164.9 -85.2 110.0 29.8 13.2 13.6 79 88 A S H > S+ 0 0 39 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.850 87.8 56.7 -59.3 -40.0 31.9 13.6 10.4 80 89 A N H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.894 107.9 46.4 -62.3 -41.3 29.2 11.9 8.3 81 90 A I H > S+ 0 0 2 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.901 111.1 52.3 -68.5 -41.5 26.5 14.4 9.3 82 91 A V H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.906 107.0 53.6 -59.1 -41.3 28.9 17.4 8.7 83 92 A N H X S+ 0 0 99 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.899 110.1 47.5 -60.1 -41.3 29.6 16.1 5.2 84 93 A M H X S+ 0 0 19 -4,-1.7 4,-0.8 2,-0.2 3,-0.4 0.908 110.6 51.2 -64.3 -43.3 25.9 16.0 4.6 85 94 A A H >< S+ 0 0 0 -4,-2.6 3,-1.2 -29,-0.2 4,-0.4 0.922 107.0 54.6 -60.1 -43.0 25.4 19.6 6.0 86 95 A N H >< S+ 0 0 78 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.779 102.0 57.8 -64.3 -27.2 28.2 20.8 3.7 87 96 A E H 3< S+ 0 0 157 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.739 102.9 54.9 -71.6 -23.6 26.4 19.4 0.7 88 97 A R T << S+ 0 0 84 -3,-1.2 2,-0.4 -4,-0.8 -1,-0.2 0.456 103.0 58.4 -92.5 -3.7 23.3 21.5 1.4 89 98 A V < + 0 0 32 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.1 -0.994 60.4 167.4-131.2 128.2 25.0 24.9 1.5 90 99 A S + 0 0 113 -2,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.987 58.5 12.3-138.7 151.4 27.0 26.5 -1.2 91 100 A G S S+ 0 0 94 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.660 87.6 119.4 65.7 19.0 28.5 30.0 -2.0 92 101 A N > - 0 0 54 3,-0.1 3,-1.5 1,-0.1 -1,-0.1 -0.880 39.5-176.0-122.1 99.7 27.8 31.3 1.5 93 102 A N T 3 S+ 0 0 145 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.411 80.6 66.2 -77.6 5.0 31.0 32.4 3.3 94 103 A K T 3 S+ 0 0 46 -23,-0.1 -22,-3.3 1,-0.1 2,-0.5 0.305 90.3 69.6-107.9 8.5 29.0 33.1 6.5 95 104 A I E < +c 72 0A 18 -3,-1.5 2,-0.4 -24,-0.2 -22,-0.2 -0.994 59.8 171.1-124.0 123.1 28.0 29.4 7.1 96 105 A I E -c 73 0A 93 -24,-1.8 -22,-3.2 -2,-0.5 2,-0.4 -1.000 13.6-164.8-133.0 131.2 30.7 27.1 8.2 97 106 A F E -c 74 0A 14 -2,-0.4 2,-0.4 -24,-0.2 -22,-0.2 -0.940 9.6-173.6-112.8 142.1 30.3 23.5 9.5 98 107 A E E -c 75 0A 38 -24,-2.1 -22,-2.1 -2,-0.4 2,-0.7 -0.998 22.7-138.8-138.1 131.5 33.1 21.7 11.2 99 108 A A E +c 76 0A 43 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.820 55.4 119.5 -86.3 113.7 33.5 18.1 12.4 100 109 A N - 0 0 55 -24,-1.4 2,-0.7 -2,-0.7 -22,-0.1 -0.977 68.6 -95.7-164.1 164.9 35.1 18.3 15.8 101 110 A D >> - 0 0 53 -2,-0.3 3,-2.0 1,-0.1 4,-1.8 -0.846 27.4-152.1 -89.6 113.5 34.7 17.5 19.5 102 111 A I T 34 S+ 0 0 17 -2,-0.7 -1,-0.1 1,-0.3 -49,-0.0 0.766 92.9 65.4 -58.2 -24.7 33.4 20.6 21.3 103 112 A L T 34 S+ 0 0 29 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.667 114.3 28.9 -73.8 -16.7 35.1 19.4 24.5 104 113 A T T <4 S+ 0 0 93 -3,-2.0 -2,-0.2 2,-0.0 -1,-0.2 0.546 94.4 112.1-115.5 -15.1 38.5 19.8 22.9 105 114 A K < - 0 0 44 -4,-1.8 2,-0.5 1,-0.1 -5,-0.0 -0.276 58.4-141.0 -59.3 139.6 37.8 22.6 20.4 106 115 A E + 0 0 174 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.926 25.0 168.8-108.4 130.5 39.5 26.0 21.1 107 116 A F - 0 0 28 -2,-0.5 3,-0.1 28,-0.1 4,-0.0 -0.949 40.1 -97.7-128.6 153.7 37.8 29.3 20.6 108 117 A P > - 0 0 76 0, 0.0 3,-0.6 0, 0.0 4,-0.2 -0.328 44.2-101.5 -66.0 152.5 38.9 32.8 21.7 109 118 A E T 3 S+ 0 0 116 1,-0.2 30,-0.3 2,-0.1 32,-0.1 -0.397 105.3 19.8 -65.3 151.1 37.4 34.2 24.9 110 119 A N T 3 S+ 0 0 69 28,-2.7 31,-0.3 30,-0.6 -1,-0.2 0.879 90.5 127.2 57.9 46.2 34.7 36.8 24.3 111 120 A N < + 0 0 25 28,-2.2 2,-0.4 -3,-0.6 29,-0.2 0.822 46.1 61.7-104.8 -40.2 34.1 35.6 20.8 112 121 A F E - d 0 140A 4 27,-2.4 29,-2.9 -4,-0.2 -62,-0.2 -0.754 45.9-163.1-108.4 140.1 30.4 34.8 20.2 113 122 A D E S+ 0 0 31 -64,-2.4 32,-2.1 -2,-0.4 2,-0.4 0.797 90.3 19.7 -77.7 -31.1 27.2 36.9 20.4 114 123 A L E -bd 50 145A 1 -65,-1.5 -63,-2.4 30,-0.2 2,-0.5 -0.996 58.7-165.3-142.3 130.5 25.1 33.7 20.6 115 124 A I E -bd 51 146A 0 30,-2.3 32,-2.9 -2,-0.4 2,-0.4 -0.994 24.8-176.0-112.3 123.8 25.9 30.2 21.6 116 125 A Y E +bd 52 147A 1 -65,-3.0 -63,-2.6 -2,-0.5 2,-0.3 -0.938 12.0 173.2-127.6 136.6 23.0 28.0 20.5 117 126 A S E - 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0 0 16 -5,-1.5 2,-0.6 -6,-0.2 -49,-0.2 -0.463 40.4-145.4 -75.2 153.1 22.1 9.7 27.3 173 182 A T - 0 0 46 -51,-2.5 2,-0.6 -49,-0.2 -49,-0.1 -0.940 24.9-173.3-115.0 103.8 22.7 11.5 30.5 174 183 A L + 0 0 8 -2,-0.6 2,-0.2 -22,-0.1 -22,-0.2 -0.886 6.0 175.8-105.5 121.3 19.3 13.1 31.3 175 184 A I - 0 0 15 -2,-0.6 -22,-1.8 -24,-0.4 2,-0.1 -0.616 37.0 -85.2-112.9 172.9 19.0 15.4 34.3 176 185 A T > - 0 0 5 -24,-0.2 4,-2.3 -2,-0.2 5,-0.2 -0.412 34.3-115.2 -77.0 157.7 16.1 17.5 35.6 177 186 A V H > S+ 0 0 3 -24,-0.3 4,-2.3 1,-0.2 5,-0.2 0.902 118.8 52.1 -54.9 -40.5 15.3 20.9 34.3 178 187 A E H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 108.1 49.0 -66.9 -40.4 16.1 22.3 37.7 179 188 A E H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 110.4 52.8 -64.3 -39.6 19.5 20.5 37.9 180 189 A Y H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 3,-0.3 0.937 108.6 48.3 -61.9 -48.3 20.3 21.9 34.4 181 190 A A H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.872 107.6 57.1 -60.6 -36.1 19.5 25.5 35.5 182 191 A D H X S+ 0 0 110 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.855 102.6 54.4 -64.7 -35.9 21.7 25.0 38.6 183 192 A I H X S+ 0 0 20 -4,-1.8 4,-1.7 -3,-0.3 -1,-0.2 0.938 108.0 48.8 -61.4 -45.6 24.7 24.1 36.4 184 193 A L H <>S+ 0 0 1 -4,-1.8 5,-2.1 1,-0.2 -2,-0.2 0.908 111.9 49.0 -60.5 -42.2 24.3 27.3 34.4 185 194 A T H ><5S+ 0 0 82 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.916 109.1 52.5 -63.4 -41.4 24.1 29.3 37.7 186 195 A A H 3<5S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.795 104.0 57.8 -64.5 -29.2 27.2 27.5 39.0 187 196 A C T 3<5S- 0 0 12 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.373 122.4-108.2 -82.0 3.7 29.0 28.5 35.8 188 197 A N T < 5 + 0 0 84 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.564 63.0 156.5 83.0 11.6 28.3 32.1 36.6 189 198 A F < - 0 0 9 -5,-2.1 3,-0.3 1,-0.1 2,-0.2 -0.352 31.2-140.0 -66.4 150.5 25.7 32.8 33.9 190 199 A K E S+F 255 0A 80 65,-3.2 65,-2.7 1,-0.2 3,-0.2 -0.700 73.0 20.8-109.1 160.9 23.3 35.6 34.7 191 200 A N E S- 0 0 111 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.860 78.3-168.3 51.8 41.9 19.6 36.0 34.1 192 201 A V E - 0 0 42 -3,-0.3 2,-0.5 62,-0.1 62,-0.2 -0.495 6.2-174.3 -67.7 117.4 19.2 32.2 33.9 193 202 A V E -F 253 0A 66 60,-3.1 60,-2.2 -2,-0.4 2,-0.4 -0.969 2.8-175.9-113.2 125.0 15.7 31.4 32.5 194 203 A S E -F 252 0A 54 -2,-0.5 2,-0.4 58,-0.2 58,-0.2 -0.968 2.3-171.5-119.2 140.2 14.6 27.8 32.4 195 204 A K E -F 251 0A 96 56,-2.4 56,-2.3 -2,-0.4 2,-1.1 -0.996 22.6-140.6-128.4 127.8 11.3 26.7 30.9 196 205 A D E +F 250 0A 60 -2,-0.4 3,-0.3 54,-0.2 54,-0.2 -0.784 27.2 176.0 -80.2 102.2 9.8 23.2 31.1 197 206 A L > + 0 0 40 52,-2.6 4,-2.8 -2,-1.1 5,-0.2 -0.064 34.5 125.2-101.4 32.9 8.5 23.0 27.6 198 207 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.845 72.3 52.7 -60.0 -38.3 7.3 19.4 27.8 199 208 A D H > S+ 0 0 107 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.917 112.5 44.4 -64.8 -43.3 3.7 20.4 26.8 200 209 A Y H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 112.0 53.6 -65.0 -41.2 4.9 22.2 23.7 201 210 A W H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.913 106.1 53.0 -60.4 -42.0 7.3 19.3 23.0 202 211 A N H X S+ 0 0 29 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.895 108.1 51.1 -60.1 -38.7 4.3 16.9 23.1 203 212 A Q H X S+ 0 0 123 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.924 110.2 48.6 -64.9 -42.7 2.5 19.1 20.6 204 213 A L H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.900 110.4 51.5 -62.0 -43.1 5.6 19.0 18.3 205 214 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.874 108.3 52.0 -61.3 -38.3 5.8 15.2 18.6 206 215 A E H X S+ 0 0 89 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.893 109.1 48.8 -68.7 -39.6 2.1 14.8 17.8 207 216 A V H X S+ 0 0 101 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.943 114.4 46.6 -61.7 -47.0 2.5 16.9 14.6 208 217 A E H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.896 111.7 50.8 -61.3 -42.4 5.5 14.8 13.6 209 218 A H H X S+ 0 0 19 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.922 110.8 48.6 -62.8 -45.6 3.6 11.5 14.5 210 219 A K H X S+ 0 0 124 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.917 110.8 51.4 -60.3 -44.9 0.7 12.6 12.3 211 220 A Y H X S+ 0 0 104 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.912 108.3 51.7 -57.9 -44.8 3.0 13.5 9.5 212 221 A L H < S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.2 7,-0.2 0.932 112.1 46.0 -58.7 -47.7 4.7 10.1 9.7 213 222 A H H >< S+ 0 0 88 -4,-2.2 3,-1.1 1,-0.2 4,-0.2 0.893 112.4 49.1 -64.0 -41.9 1.4 8.2 9.5 214 223 A E H 3< S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.718 117.8 41.8 -72.4 -20.1 0.1 10.3 6.6 215 224 A N T 3X S+ 0 0 51 -4,-1.5 4,-2.4 -3,-0.3 -1,-0.3 0.048 76.3 120.5-114.7 26.5 3.3 9.8 4.7 216 225 A K H <> S+ 0 0 82 -3,-1.1 4,-2.9 1,-0.2 5,-0.2 0.870 70.7 56.6 -57.9 -43.6 3.8 6.1 5.5 217 226 A E H > S+ 0 0 146 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.936 111.0 43.7 -57.9 -46.7 3.7 5.0 1.8 218 227 A E H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 111.9 54.1 -65.2 -40.7 6.6 7.3 1.0 219 228 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.931 107.2 50.6 -57.4 -46.1 8.5 6.4 4.1 220 229 A L H < S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 109.0 52.1 -64.4 -34.4 8.3 2.7 3.2 221 230 A K H < S+ 0 0 155 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.875 116.7 38.6 -66.2 -39.2 9.6 3.4 -0.3 222 231 A L H < S+ 0 0 96 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.799 136.2 0.4 -80.2 -32.6 12.6 5.3 1.1 223 232 A F S < S- 0 0 36 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.1 0.307 92.1 -84.4-126.0-113.6 13.3 3.1 4.0 224 233 A S > - 0 0 45 1,-0.1 4,-1.8 -5,-0.1 5,-0.1 -0.975 27.8-106.1-165.1 161.8 11.6 -0.1 5.2 225 234 A E H > S+ 0 0 118 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.887 118.5 57.6 -64.8 -37.7 8.7 -1.3 7.3 226 235 A K H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 108.7 45.1 -57.0 -48.1 11.1 -2.3 10.1 227 236 A K H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.840 110.9 55.0 -65.8 -34.0 12.4 1.2 10.3 228 237 A F H X S+ 0 0 6 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.939 108.4 47.3 -62.4 -47.1 8.9 2.6 10.2 229 238 A I H X S+ 0 0 76 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.912 112.1 50.1 -63.9 -42.2 7.8 0.5 13.2 230 239 A S H X S+ 0 0 72 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.926 115.0 43.3 -60.2 -47.0 10.9 1.5 15.2 231 240 A L H X S+ 0 0 13 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.935 114.6 49.8 -64.7 -47.4 10.3 5.2 14.5 232 241 A D H X S+ 0 0 31 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.937 113.3 45.2 -57.7 -49.7 6.6 5.0 15.1 233 242 A D H X S+ 0 0 95 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.865 110.7 55.2 -63.8 -36.3 7.0 3.2 18.4 234 243 A G H X S+ 0 0 23 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.897 110.4 44.2 -64.7 -41.7 9.7 5.7 19.4 235 244 A W H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.896 109.9 56.8 -70.2 -39.4 7.5 8.7 18.9 236 245 A S H X S+ 0 0 46 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.919 108.5 46.9 -56.9 -43.2 4.6 7.0 20.7 237 246 A R H X S+ 0 0 35 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.894 110.9 50.8 -68.1 -40.0 6.7 6.5 23.8 238 247 A K H X S+ 0 0 8 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.868 110.4 50.5 -65.0 -34.0 8.0 10.1 23.7 239 248 A I H X S+ 0 0 16 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.953 114.6 43.5 -67.3 -47.8 4.4 11.3 23.5 240 249 A K H X S+ 0 0 124 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.922 116.8 46.0 -58.9 -47.8 3.3 9.1 26.4 241 250 A D H <>S+ 0 0 0 -4,-3.0 5,-2.2 1,-0.2 6,-1.4 0.804 112.4 49.4 -75.4 -27.0 6.3 10.0 28.5 242 251 A S H ><5S+ 0 0 0 -4,-2.0 3,-0.8 -5,-0.2 -1,-0.2 0.842 106.3 57.5 -75.8 -34.2 6.2 13.7 27.9 243 252 A K H 3<5S+ 0 0 164 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.887 113.9 38.5 -61.9 -38.2 2.5 13.7 28.7 244 253 A R T 3<5S- 0 0 102 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.310 113.3-117.9 -98.4 9.7 3.3 12.3 32.1 245 254 A K T < 5S+ 0 0 58 -3,-0.8 -3,-0.2 2,-0.3 3,-0.1 0.688 81.0 119.7 67.4 21.1 6.4 14.4 32.6 246 255 A M S