==== 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 3UJC . 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 . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 9.7 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 . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 39.1 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 0 2 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 0 1 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 9 A S > 0 0 111 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 168.2 35.0 6.4 21.2 2 10 A D H > + 0 0 79 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.901 360.0 55.7 -66.1 -42.5 31.8 8.5 21.5 3 11 A K H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 109.5 45.8 -53.4 -49.4 32.2 9.6 17.9 4 12 A T H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.913 110.9 53.1 -64.0 -43.7 32.3 6.0 16.7 5 13 A F H X S+ 0 0 40 -4,-2.2 4,-0.6 1,-0.2 5,-0.4 0.920 113.6 42.7 -56.0 -46.6 29.3 5.1 18.9 6 14 A L H ><>S+ 0 0 14 -4,-2.6 5,-2.8 1,-0.2 3,-0.8 0.934 115.7 47.1 -68.9 -45.6 27.2 7.9 17.5 7 15 A E H 3<5S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.2 6,-0.2 0.769 116.0 45.0 -67.5 -26.5 28.2 7.4 13.8 8 16 A N H 3<5S+ 0 0 101 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.451 128.0 14.2 -99.5 -4.3 27.7 3.6 13.9 9 17 A N T X<5S+ 0 0 92 -3,-0.8 3,-1.1 -4,-0.6 -3,-0.2 0.367 129.2 18.1-131.7 -93.0 24.3 3.5 15.7 10 18 A Q T 3 5S+ 0 0 27 -5,-0.4 -3,-0.1 1,-0.3 -4,-0.1 0.861 132.1 38.3 -60.7 -36.5 21.9 6.4 16.3 11 19 A Y T 3 S- 0 0 47 -3,-1.1 4,-2.6 1,-0.1 5,-0.2 -0.334 72.1 -98.0 -60.7 163.5 24.4 6.3 10.8 13 21 A D H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.930 128.4 45.3 -51.7 -47.8 23.7 7.9 7.4 14 22 A E H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.900 109.6 54.4 -65.8 -40.6 20.3 6.1 7.2 15 23 A G H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 109.3 49.1 -59.7 -41.1 19.5 6.9 10.8 16 24 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.920 110.8 49.2 -64.5 -43.9 20.0 10.6 10.1 17 25 A K H X S+ 0 0 105 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.878 109.7 52.3 -64.5 -38.2 17.8 10.4 6.9 18 26 A V H X S+ 0 0 13 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.943 111.4 46.5 -61.1 -46.8 15.1 8.7 8.9 19 27 A Y H X S+ 0 0 30 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.921 110.0 53.5 -61.0 -44.1 15.1 11.4 11.5 20 28 A E H X S+ 0 0 30 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.875 101.9 60.4 -59.6 -37.1 15.2 14.1 8.8 21 29 A F H < S+ 0 0 30 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.917 115.7 31.9 -55.4 -44.7 12.0 12.6 7.2 22 30 A I H < S+ 0 0 7 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.866 123.7 43.0 -87.1 -37.1 10.1 13.1 10.4 23 31 A F H < S- 0 0 14 -4,-3.0 10,-0.4 4,-0.3 -3,-0.2 0.825 116.0-105.5 -77.5 -32.0 11.6 16.3 11.8 24 32 A G >< - 0 0 25 -4,-2.3 3,-2.3 -5,-0.4 -1,-0.2 -0.304 52.2 -34.8 120.1 156.4 11.8 18.1 8.4 25 33 A E T 3 S+ 0 0 151 1,-0.3 3,-0.1 -4,-0.1 8,-0.1 -0.134 127.1 5.2 -49.1 126.7 14.3 19.0 5.7 26 34 A N T 3 S+ 0 0 30 1,-0.2 34,-2.5 34,-0.0 2,-0.4 0.516 111.2 105.4 76.5 10.9 17.7 19.9 7.2 27 35 A Y < + 0 0 13 -3,-2.3 -4,-0.3 -7,-0.2 -3,-0.3 -0.961 31.7 161.8-128.3 139.3 16.7 19.0 10.8 28 36 A I + 0 0 32 -2,-0.4 2,-0.3 -5,-0.1 -1,-0.1 0.168 64.3 98.2-122.3 11.6 17.3 16.3 13.3 29 37 A S S > S- 0 0 17 1,-0.1 3,-2.0 -5,-0.1 6,-0.1 -0.688 88.9 -79.4 -99.6 153.0 16.2 18.5 16.2 30 38 A S T 3 S+ 0 0 1 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.154 112.0 5.1 -53.8 133.2 12.7 18.5 17.8 31 39 A G T >> S- 0 0 10 4,-0.1 4,-2.0 171,-0.1 3,-0.6 0.477 91.3-144.3 74.3 2.0 10.0 20.4 15.9 32 40 A G H <> - 0 0 0 -3,-2.0 4,-1.6 1,-0.2 -8,-0.2 -0.020 68.8 -7.6 46.0-130.9 12.3 21.1 12.9 33 41 A L H 3> S+ 0 0 73 -10,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.890 134.2 54.6 -66.2 -45.2 11.7 24.5 11.2 34 42 A E H <> S+ 0 0 117 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.910 109.6 45.8 -61.5 -43.2 8.6 25.5 13.1 35 43 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.888 110.3 56.3 -66.6 -36.3 10.2 25.1 16.6 36 44 A T H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.935 106.1 49.7 -59.0 -46.3 13.2 27.0 15.3 37 45 A K H < S+ 0 0 85 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.922 114.7 44.7 -58.2 -44.4 11.1 30.0 14.3 38 46 A K H >< S+ 0 0 113 -4,-1.8 3,-1.2 1,-0.2 4,-0.3 0.922 111.5 51.2 -67.5 -44.6 9.5 30.0 17.8 39 47 A I H 3< S+ 0 0 6 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.826 116.7 40.7 -65.0 -31.9 12.7 29.5 19.7 40 48 A L T >< S+ 0 0 0 -4,-2.0 3,-1.8 -5,-0.2 -1,-0.3 0.366 84.4 105.8 -95.6 5.6 14.3 32.4 17.9 41 49 A S T < S+ 0 0 77 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.753 88.0 34.6 -63.2 -26.6 11.3 34.6 17.9 42 50 A D T 3 S+ 0 0 83 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.3 0.174 95.1 109.3-112.3 17.8 12.6 37.0 20.7 43 51 A I < - 0 0 10 -3,-1.8 2,-0.5 103,-0.0 -3,-0.0 -0.797 52.0-156.5 -99.5 132.8 16.3 36.8 19.6 44 52 A E + 0 0 165 -2,-0.4 2,-0.3 2,-0.0 25,-0.0 -0.936 27.9 141.3-112.7 126.7 18.0 39.9 18.1 45 53 A L - 0 0 29 -2,-0.5 2,-0.2 23,-0.1 26,-0.0 -0.921 23.3-161.7-146.3 169.9 21.1 39.5 15.9 46 54 A N > - 0 0 70 -2,-0.3 3,-1.9 24,-0.1 26,-0.2 -0.801 45.5 -71.8-146.0-168.2 22.3 41.2 12.7 47 55 A E T 3 S+ 0 0 105 1,-0.3 23,-0.1 -2,-0.2 25,-0.1 0.664 127.8 52.2 -65.5 -17.6 24.8 40.8 9.8 48 56 A N T 3 S+ 0 0 110 23,-0.1 -1,-0.3 2,-0.1 23,-0.1 0.487 86.8 110.5 -94.6 -6.0 27.7 41.5 12.2 49 57 A S < - 0 0 7 -3,-1.9 23,-2.6 20,-0.2 2,-0.5 -0.364 57.0-145.3 -73.0 151.1 26.7 38.9 14.8 50 58 A K E -a 72 0A 79 21,-0.2 64,-2.2 62,-0.1 65,-1.6 -0.975 18.4-170.9-117.3 127.2 28.7 35.7 15.4 51 59 A V E -ab 73 115A 2 21,-2.6 23,-2.3 -2,-0.5 2,-0.5 -0.935 13.3-158.8-122.7 138.1 26.8 32.5 16.3 52 60 A L E -ab 74 116A 0 63,-2.4 65,-3.2 -2,-0.4 2,-0.6 -0.974 6.5-161.8-111.2 129.8 28.0 29.1 17.5 53 61 A D E > -ab 75 117A 5 21,-2.7 23,-2.7 -2,-0.5 2,-0.8 -0.950 8.1-154.4-112.2 109.0 25.6 26.2 17.0 54 62 A I E 3 S+ab 76 118A 7 63,-2.8 65,-0.5 -2,-0.6 23,-0.2 -0.774 84.3 12.7 -86.9 112.3 26.6 23.3 19.3 55 63 A G T 3 S+ 0 0 20 21,-2.9 -1,-0.3 -2,-0.8 64,-0.3 0.888 76.9 178.9 85.0 55.7 25.3 20.1 17.7 56 64 A S X + 0 0 8 20,-1.5 3,-2.3 -3,-0.6 5,-0.4 0.629 10.7 176.7 -73.2 -14.2 24.5 21.6 14.3 57 65 A G T 3 - 0 0 2 1,-0.3 29,-0.3 19,-0.2 -1,-0.2 -0.168 68.2 -3.5 55.2-130.4 23.3 18.4 12.8 58 66 A L T 3 S- 0 0 1 -32,-0.1 -1,-0.3 27,-0.1 -31,-0.1 0.493 100.5-114.3 -80.4 -1.6 22.0 18.7 9.2 59 67 A G S <> S+ 0 0 0 -3,-2.3 4,-2.6 3,-0.0 5,-0.2 0.355 77.1 127.2 95.9 -4.6 22.5 22.5 9.4 60 68 A G H > S+ 0 0 3 -34,-2.5 4,-2.6 1,-0.2 5,-0.2 0.855 74.1 54.8 -53.8 -39.7 18.9 23.8 9.3 61 69 A G H > S+ 0 0 6 -5,-0.4 4,-2.5 -35,-0.3 -1,-0.2 0.937 111.2 43.0 -60.8 -49.3 19.4 25.9 12.4 62 70 A C H > S+ 0 0 0 -6,-0.3 4,-2.7 2,-0.2 5,-0.2 0.895 112.7 54.1 -64.0 -40.7 22.4 27.7 11.1 63 71 A M H X S+ 0 0 33 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.924 111.4 45.5 -58.3 -44.9 20.7 28.1 7.7 64 72 A Y H X S+ 0 0 33 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.925 112.7 49.2 -65.8 -45.1 17.7 29.7 9.4 65 73 A I H X>S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 6,-0.8 0.924 113.6 46.8 -61.8 -43.8 19.7 32.0 11.6 66 74 A N H X5S+ 0 0 23 -4,-2.7 4,-1.7 4,-0.2 -1,-0.2 0.900 114.8 47.3 -65.6 -39.2 21.8 33.2 8.7 67 75 A E H <5S+ 0 0 156 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.930 116.5 42.3 -65.0 -45.9 18.7 33.7 6.6 68 76 A K H <5S+ 0 0 82 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.903 135.1 12.9 -71.2 -40.6 16.8 35.6 9.2 69 77 A Y H <5S- 0 0 25 -4,-2.4 -3,-0.2 -5,-0.3 -20,-0.2 0.602 88.3-123.7-115.1 -18.6 19.6 37.8 10.5 70 78 A G << + 0 0 22 -4,-1.7 -4,-0.2 -5,-0.5 -3,-0.1 0.607 59.2 158.1 76.8 13.6 22.5 37.6 8.0 71 79 A A - 0 0 0 -6,-0.8 2,-0.4 1,-0.1 -1,-0.2 -0.248 50.9-105.4 -71.4 154.5 24.6 36.5 11.0 72 80 A H E -a 50 0A 77 -23,-2.6 -21,-2.6 -26,-0.2 2,-0.4 -0.693 42.3-164.2 -72.0 126.6 27.9 34.5 10.8 73 81 A T E -ac 51 96A 4 22,-3.1 24,-2.2 -2,-0.4 2,-0.5 -0.973 15.6-175.0-124.0 131.8 27.1 30.9 11.9 74 82 A H E -ac 52 97A 34 -23,-2.3 -21,-2.7 -2,-0.4 2,-0.4 -0.980 11.0-165.5-124.5 112.1 29.6 28.3 12.9 75 83 A G E -ac 53 98A 0 22,-3.2 24,-2.7 -2,-0.5 2,-0.4 -0.843 1.8-165.4-101.0 138.0 28.1 24.8 13.6 76 84 A I E +ac 54 99A 3 -23,-2.7 -21,-2.9 -2,-0.4 -20,-1.5 -0.981 13.9 164.6-120.1 134.0 30.1 22.1 15.4 77 85 A D E - c 0 100A 21 22,-2.1 24,-1.7 -2,-0.4 6,-0.1 -0.991 34.6-141.2-146.3 142.5 29.0 18.5 15.4 78 86 A I S S+ 0 0 36 -2,-0.3 2,-0.8 22,-0.2 24,-0.1 0.765 80.7 89.0 -76.6 -21.1 31.1 15.4 16.4 79 87 A C > - 0 0 2 1,-0.2 4,-2.0 22,-0.1 5,-0.2 -0.661 59.5-164.4 -85.8 111.8 29.7 13.2 13.6 80 88 A S H > S+ 0 0 37 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.858 88.3 55.0 -60.1 -39.6 31.7 13.6 10.4 81 89 A N H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 108.5 46.4 -64.0 -42.1 29.0 12.0 8.3 82 90 A I H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.888 111.7 51.5 -68.7 -38.9 26.3 14.5 9.4 83 91 A V H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.910 108.0 52.9 -63.0 -40.4 28.7 17.4 8.9 84 92 A N H X S+ 0 0 99 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.913 110.2 48.2 -59.4 -42.2 29.4 16.1 5.4 85 93 A M H X S+ 0 0 18 -4,-1.9 4,-0.5 2,-0.2 3,-0.5 0.917 111.1 50.0 -63.4 -44.9 25.7 16.0 4.8 86 94 A A H >< S+ 0 0 0 -4,-2.7 3,-1.5 -29,-0.3 4,-0.4 0.915 107.4 54.3 -59.8 -43.8 25.2 19.6 6.1 87 95 A N H >< S+ 0 0 74 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.758 101.8 59.5 -65.0 -23.3 28.0 20.9 3.9 88 96 A E H 3< S+ 0 0 159 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.661 101.3 55.8 -74.4 -17.1 26.3 19.4 0.9 89 97 A R T << S+ 0 0 83 -3,-1.5 2,-0.4 -4,-0.5 -1,-0.2 0.459 103.5 56.2 -99.6 -2.7 23.2 21.5 1.5 90 98 A V < + 0 0 32 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.1 -0.996 59.7 165.4-130.7 133.4 24.9 24.9 1.5 91 99 A S + 0 0 114 -2,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.992 60.1 16.6-144.1 153.4 27.0 26.5 -1.2 92 100 A G S S+ 0 0 93 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.627 87.8 121.0 66.1 14.9 28.4 29.9 -2.0 93 101 A N > - 0 0 51 3,-0.1 3,-1.3 1,-0.1 -1,-0.2 -0.874 38.5-177.8-116.7 100.9 27.7 31.1 1.5 94 102 A N T 3 S+ 0 0 150 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.416 79.7 64.5 -78.5 5.4 30.8 32.4 3.3 95 103 A K T 3 S+ 0 0 47 1,-0.1 -22,-3.1 -23,-0.1 2,-0.4 0.280 90.7 71.4-110.9 8.9 28.9 33.1 6.5 96 104 A I E < +c 73 0A 18 -3,-1.3 2,-0.4 -24,-0.2 -22,-0.2 -0.992 57.7 173.0-124.5 124.4 27.9 29.5 7.2 97 105 A I E -c 74 0A 87 -24,-2.2 -22,-3.2 -2,-0.4 2,-0.4 -0.998 12.7-166.9-128.7 131.8 30.5 27.0 8.4 98 106 A F E -c 75 0A 12 -2,-0.4 2,-0.4 -24,-0.2 -22,-0.2 -0.988 12.9-174.3-117.0 131.3 30.0 23.4 9.5 99 107 A E E -c 76 0A 43 -24,-2.7 -22,-2.1 -2,-0.4 2,-0.7 -0.984 23.6-137.7-132.1 130.2 32.9 21.7 11.3 100 108 A A E +c 77 0A 42 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.781 55.7 119.1 -83.8 113.8 33.3 18.1 12.5 101 109 A N - 0 0 54 -24,-1.7 2,-0.7 -2,-0.7 -22,-0.1 -0.979 68.9 -95.0-165.5 166.5 34.9 18.3 15.9 102 110 A D >> - 0 0 56 -2,-0.3 3,-2.1 1,-0.1 4,-2.0 -0.862 27.6-152.2 -92.3 112.7 34.5 17.5 19.6 103 111 A I T 34 S+ 0 0 15 -2,-0.7 -1,-0.1 1,-0.3 -49,-0.0 0.751 92.9 65.4 -58.5 -23.4 33.1 20.7 21.3 104 112 A L T 34 S+ 0 0 31 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.677 115.4 27.1 -74.0 -17.8 34.9 19.6 24.5 105 113 A T T <4 S+ 0 0 97 -3,-2.1 -2,-0.2 2,-0.0 -1,-0.2 0.559 93.6 113.0-116.2 -15.7 38.3 20.0 22.9 106 114 A K < - 0 0 41 -4,-2.0 2,-0.5 1,-0.1 -5,-0.0 -0.290 60.4-136.8 -58.4 137.0 37.6 22.7 20.3 107 115 A E + 0 0 177 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.863 28.3 167.1-101.7 132.0 39.3 26.0 21.0 108 116 A F - 0 0 30 -2,-0.5 3,-0.1 28,-0.1 4,-0.0 -0.965 39.6 -99.8-131.0 152.6 37.5 29.3 20.5 109 117 A P > - 0 0 77 0, 0.0 3,-0.6 0, 0.0 4,-0.2 -0.325 42.6-101.6 -65.4 152.1 38.6 32.8 21.7 110 118 A E T 3 S+ 0 0 113 1,-0.2 30,-0.3 2,-0.1 32,-0.1 -0.416 106.3 20.6 -63.7 149.8 37.2 34.3 24.9 111 119 A N T 3 S+ 0 0 71 28,-2.8 31,-0.3 30,-0.6 -1,-0.2 0.889 90.3 128.0 58.5 45.3 34.4 36.9 24.2 112 120 A N < + 0 0 22 28,-2.1 2,-0.4 -3,-0.6 29,-0.2 0.814 46.0 60.5-102.2 -39.7 33.8 35.6 20.7 113 121 A F E - d 0 141A 4 27,-2.5 29,-2.9 -4,-0.2 -62,-0.2 -0.787 46.0-162.5-109.9 139.5 30.1 34.9 20.2 114 122 A D E S+ 0 0 30 -64,-2.2 32,-2.3 -2,-0.4 2,-0.4 0.809 91.3 19.4 -74.7 -33.8 26.9 37.0 20.3 115 123 A L E -bd 51 146A 1 -65,-1.6 -63,-2.4 30,-0.2 2,-0.5 -0.995 58.7-164.8-140.3 131.3 24.9 33.8 20.5 116 124 A I E -bd 52 147A 0 30,-2.3 32,-2.8 -2,-0.4 2,-0.4 -0.993 25.3-175.3-111.8 122.1 25.7 30.2 21.6 117 125 A Y E +bd 53 148A 2 -65,-3.2 -63,-2.8 -2,-0.5 2,-0.3 -0.914 12.0 174.6-123.2 137.6 22.8 28.1 20.4 118 126 A S E -bd 54 149A 0 30,-2.0 32,-2.4 -2,-0.4 2,-0.6 -0.953 10.7-164.2-150.5 132.1 22.2 24.4 21.0 119 127 A R E - 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0 0 17 -5,-1.5 2,-0.6 -6,-0.2 -49,-0.2 -0.459 42.5-144.5 -76.0 155.8 22.0 9.8 27.2 174 182 A T - 0 0 46 -51,-2.8 2,-0.6 -49,-0.2 -49,-0.2 -0.941 25.2-172.7-116.6 103.1 22.5 11.6 30.5 175 183 A L + 0 0 8 -2,-0.6 2,-0.2 -22,-0.1 -22,-0.2 -0.886 5.9 176.5-105.0 120.6 19.1 13.1 31.2 176 184 A I - 0 0 14 -2,-0.6 -22,-1.8 -24,-0.4 2,-0.1 -0.610 36.4 -85.5-112.7 171.0 18.8 15.5 34.2 177 185 A T > - 0 0 4 -24,-0.2 4,-2.2 -2,-0.2 5,-0.2 -0.375 34.2-115.9 -74.3 158.8 15.9 17.5 35.5 178 186 A V H > S+ 0 0 3 -24,-0.3 4,-2.3 1,-0.2 5,-0.2 0.887 118.8 52.4 -57.2 -37.1 15.1 21.0 34.1 179 187 A E H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 107.8 48.7 -70.8 -42.1 15.9 22.3 37.6 180 188 A E H > S+ 0 0 97 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.900 111.0 52.5 -61.3 -39.6 19.3 20.6 37.8 181 189 A Y H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 3,-0.3 0.940 108.5 48.7 -63.8 -47.4 20.1 22.0 34.3 182 190 A A H X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.892 107.9 56.5 -59.0 -39.3 19.3 25.5 35.4 183 191 A D H X S+ 0 0 106 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.841 102.6 54.5 -63.2 -35.8 21.4 25.1 38.4 184 192 A I H X S+ 0 0 19 -4,-1.6 4,-1.7 -3,-0.3 -1,-0.2 0.936 108.5 48.9 -61.2 -46.2 24.5 24.2 36.3 185 193 A L H <>S+ 0 0 0 -4,-1.8 5,-2.0 1,-0.2 -2,-0.2 0.923 112.3 48.2 -61.3 -42.9 24.0 27.4 34.3 186 194 A T H ><5S+ 0 0 82 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.914 109.5 52.8 -60.6 -43.2 23.8 29.4 37.5 187 195 A A H 3<5S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.798 103.7 57.8 -64.4 -28.6 26.9 27.7 38.9 188 196 A C T 3<5S- 0 0 13 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.331 122.2-108.1 -82.5 5.6 28.7 28.6 35.7 189 197 A N T < 5 + 0 0 85 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.549 62.8 156.8 79.4 12.6 28.0 32.3 36.5 190 198 A F < - 0 0 8 -5,-2.0 3,-0.3 1,-0.1 2,-0.2 -0.369 31.6-139.4 -65.0 148.4 25.4 32.9 33.8 191 199 A K E S+F 256 0A 77 65,-3.2 65,-2.7 1,-0.2 3,-0.2 -0.688 73.5 20.3-106.9 160.9 23.0 35.8 34.5 192 200 A N E S- 0 0 110 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.879 78.2-168.5 52.1 43.4 19.3 36.1 33.9 193 201 A V E - 0 0 41 -3,-0.3 2,-0.5 62,-0.1 62,-0.2 -0.519 6.4-175.0 -70.5 118.6 18.9 32.4 33.8 194 202 A V E -F 254 0A 68 60,-3.0 60,-2.5 -2,-0.5 2,-0.4 -0.978 2.3-177.4-114.9 123.3 15.5 31.5 32.4 195 203 A S E -F 253 0A 53 -2,-0.5 2,-0.4 58,-0.2 58,-0.2 -0.971 2.9-171.3-119.0 140.2 14.4 27.9 32.3 196 204 A K E -F 252 0A 96 56,-2.5 56,-2.2 -2,-0.4 2,-1.1 -0.997 23.5-138.9-128.8 130.9 11.1 26.7 30.9 197 205 A D E +F 251 0A 58 -2,-0.4 3,-0.3 54,-0.2 54,-0.2 -0.796 28.3 175.7 -82.9 102.6 9.7 23.2 31.1 198 206 A L > + 0 0 42 52,-2.6 4,-2.9 -2,-1.1 5,-0.2 -0.057 33.8 126.2-100.9 32.0 8.3 23.1 27.6 199 207 A S H > S+ 0 0 0 1,-0.2 4,-2.5 51,-0.2 -1,-0.2 0.856 72.6 52.1 -58.7 -38.0 7.2 19.5 27.8 200 208 A D H > S+ 0 0 102 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.924 112.2 44.5 -65.2 -45.2 3.6 20.3 26.7 201 209 A Y H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.913 112.3 52.9 -64.0 -41.1 4.8 22.2 23.7 202 210 A W H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.921 106.7 53.3 -59.4 -42.5 7.3 19.4 22.9 203 211 A N H X S+ 0 0 30 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.917 108.1 50.1 -58.1 -43.2 4.3 17.0 23.1 204 212 A Q H X S+ 0 0 121 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.923 111.0 48.8 -60.5 -44.6 2.5 19.2 20.6 205 213 A L H X S+ 0 0 16 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.914 110.6 50.8 -61.9 -43.9 5.5 19.1 18.3 206 214 A L H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.876 108.5 52.4 -60.0 -40.2 5.8 15.3 18.6 207 215 A E H X S+ 0 0 91 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.900 108.5 49.6 -66.4 -40.9 2.1 14.9 17.8 208 216 A V H X S+ 0 0 103 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.939 114.3 45.9 -59.6 -47.4 2.5 17.0 14.6 209 217 A E H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.901 112.0 50.7 -61.4 -44.1 5.5 14.8 13.6 210 218 A H H X S+ 0 0 16 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.912 110.5 48.8 -62.5 -44.8 3.7 11.6 14.5 211 219 A K H X S+ 0 0 125 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.915 110.6 51.8 -61.2 -42.8 0.6 12.5 12.4 212 220 A Y H X S+ 0 0 105 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.923 108.6 50.6 -59.0 -45.7 3.0 13.4 9.5 213 221 A L H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.935 112.8 46.2 -58.2 -47.5 4.7 10.0 9.7 214 222 A H H >< S+ 0 0 85 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.905 113.0 48.6 -63.5 -41.7 1.3 8.2 9.7 215 223 A E H 3< S+ 0 0 132 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.694 118.0 41.5 -74.4 -17.4 -0.0 10.3 6.8 216 224 A N T 3X S+ 0 0 51 -4,-1.5 4,-2.3 -3,-0.4 -1,-0.3 -0.015 75.5 122.1-118.3 29.1 3.1 9.8 4.7 217 225 A K H <> S+ 0 0 83 -3,-1.1 4,-2.8 1,-0.2 5,-0.2 0.891 71.3 55.7 -59.5 -44.0 3.7 6.1 5.6 218 226 A E H > S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 110.3 45.1 -57.4 -46.4 3.6 5.0 1.9 219 227 A E H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 112.1 52.9 -63.7 -41.3 6.4 7.4 1.0 220 228 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.925 107.4 50.9 -59.1 -45.7 8.4 6.4 4.1 221 229 A L H < S+ 0 0 62 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 107.6 53.8 -63.9 -34.0 8.2 2.7 3.2 222 230 A K H < S+ 0 0 149 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.873 116.6 38.1 -65.2 -37.1 9.4 3.5 -0.3 223 231 A L H < S+ 0 0 96 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.804 134.9 0.4 -82.7 -32.7 12.5 5.2 1.1 224 232 A F S < S- 0 0 36 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.1 0.298 90.5 -81.6-126.7-119.7 13.2 3.0 4.0 225 233 A S > - 0 0 45 1,-0.1 4,-2.0 -5,-0.0 5,-0.1 -0.975 28.4-108.2-157.8 162.5 11.6 -0.2 5.3 226 234 A E H > S+ 0 0 118 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.888 118.0 57.7 -63.0 -39.9 8.6 -1.3 7.4 227 235 A K H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 108.8 45.0 -56.3 -46.6 11.0 -2.3 10.2 228 236 A K H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.858 111.1 54.4 -67.0 -35.1 12.4 1.2 10.4 229 237 A F H X S+ 0 0 7 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.942 108.3 48.2 -61.3 -48.9 8.9 2.7 10.2 230 238 A I H X S+ 0 0 76 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.921 111.5 49.8 -60.4 -44.7 7.7 0.6 13.2 231 239 A S H X S+ 0 0 71 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.921 115.0 43.8 -59.9 -44.6 10.8 1.6 15.3 232 240 A L H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.932 114.2 49.7 -66.6 -46.6 10.2 5.3 14.5 233 241 A D H X S+ 0 0 32 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.943 114.0 44.7 -58.0 -49.9 6.5 5.1 15.1 234 242 A D H X S+ 0 0 94 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.868 110.4 55.7 -63.0 -38.4 6.9 3.3 18.4 235 243 A G H X S+ 0 0 23 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.912 110.9 43.6 -63.3 -42.2 9.7 5.7 19.4 236 244 A W H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.897 110.0 56.9 -69.6 -39.0 7.5 8.7 18.9 237 245 A S H X S+ 0 0 49 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.924 108.8 46.6 -56.0 -44.9 4.5 7.0 20.6 238 246 A R H X S+ 0 0 14 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.919 111.0 51.0 -66.6 -42.8 6.7 6.6 23.8 239 247 A K H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.885 110.4 50.3 -60.7 -37.3 7.9 10.2 23.7 240 248 A I H X S+ 0 0 19 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.947 114.3 43.5 -64.3 -49.3 4.3 11.4 23.4 241 249 A K H X S+ 0 0 84 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.926 116.9 46.5 -61.2 -44.9 3.2 9.3 26.4 242 250 A D H <>S+ 0 0 0 -4,-3.1 5,-2.3 1,-0.2 6,-1.4 0.798 112.0 48.7 -75.2 -28.5 6.3 10.1 28.5 243 251 A S H ><5S+ 0 0 0 -4,-2.2 3,-1.0 -5,-0.2 -1,-0.2 0.867 106.4 58.4 -74.6 -37.1 6.1 13.9 27.8 244 252 A K H 3<5S+ 0 0 165 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.903 114.7 36.5 -57.1 -39.9 2.4 13.9 28.6 245 253 A R T 3<5S- 0 0 113 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.356 113.3-118.9 -97.6 6.7 3.2 12.5 32.1 246 254 A K T < 5S+ 0 0 75 -3,-1.0 -3,-0.2 2,-0.3 3,-0.2 0.739 79.9 121.7 65.9 23.4 6.4 14.5 32.4 247 255 A M S