==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAY-03 1P7M . COMPND 2 MOLECULE: DNA-3-METHYLADENINE GLYCOSYLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.CAO,K.KWON,Y.L.JIANG,A.C.DROHAT,J.T.STIVERS . 187 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.6 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 . 10 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 46.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 . 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 1 A M 0 0 164 0, 0.0 2,-0.2 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 130.9 147.9 40.7 -11.8 2 2 A E - 0 0 171 1,-0.2 178,-1.8 176,-0.1 3,-0.1 -0.591 360.0-149.4 -90.3 154.4 145.0 38.2 -11.4 3 3 A R - 0 0 139 1,-0.3 2,-0.3 176,-0.3 -1,-0.2 0.839 60.8 -25.9 -87.3 -92.3 145.2 35.4 -8.8 4 4 A C > - 0 0 8 1,-0.1 4,-1.5 175,-0.1 3,-0.4 -0.943 47.1-130.7-128.7 149.7 143.3 32.3 -9.9 5 5 A G T 4 S+ 0 0 52 -2,-0.3 4,-0.2 1,-0.2 3,-0.2 0.948 111.4 40.0 -64.0 -49.6 140.3 31.7 -12.3 6 6 A W T > S+ 0 0 61 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.521 107.6 69.7 -79.8 1.0 138.2 29.6 -9.9 7 7 A V T >4 S+ 0 0 8 -3,-0.4 3,-0.8 1,-0.2 7,-0.4 0.923 96.0 47.3 -82.4 -45.6 139.3 31.9 -7.1 8 8 A S T 3< S+ 0 0 108 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.551 96.9 82.9 -71.3 -1.5 137.3 34.9 -8.2 9 9 A Q T 34 S- 0 0 127 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.941 108.8 -32.9 -69.1 -46.4 134.5 32.4 -8.5 10 10 A D XX - 0 0 42 -3,-0.8 4,-1.6 -4,-0.6 3,-0.8 -0.978 57.4 -98.8-170.1 158.2 133.5 32.5 -4.8 11 11 A P H 3> S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.830 114.1 65.8 -53.6 -36.1 134.8 32.8 -1.2 12 12 A L H 3> S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.928 104.7 43.4 -57.9 -42.3 134.8 29.0 -0.7 13 13 A Y H <> S+ 0 0 15 -3,-0.8 4,-3.8 1,-0.2 5,-0.3 0.916 108.4 59.7 -70.5 -37.8 137.6 28.6 -3.3 14 14 A I H X S+ 0 0 67 -4,-1.6 4,-2.4 -7,-0.4 5,-0.2 0.921 105.3 49.4 -56.0 -41.1 139.4 31.6 -1.9 15 15 A A H X S+ 0 0 60 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.975 114.7 43.0 -63.8 -50.1 139.7 29.7 1.4 16 16 A Y H X S+ 0 0 11 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.923 113.1 53.4 -61.4 -41.7 141.0 26.6 -0.3 17 17 A H H X S+ 0 0 28 -4,-3.8 4,-0.9 1,-0.2 -1,-0.2 0.920 118.1 36.3 -60.3 -41.2 143.3 28.7 -2.5 18 18 A D H < S+ 0 0 111 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.746 108.4 65.7 -84.1 -24.8 144.7 30.3 0.7 19 19 A N H < S- 0 0 86 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.947 131.2 -44.8 -66.9 -42.9 144.6 27.2 2.9 20 20 A E H < - 0 0 50 -4,-1.8 2,-2.6 -5,-0.2 -2,-0.2 -0.041 51.9-178.1 173.1 75.2 147.2 25.3 0.8 21 21 A W S < S- 0 0 14 -4,-0.9 148,-0.2 1,-0.2 154,-0.1 -0.357 85.7 -58.8 -80.4 65.3 147.2 25.2 -3.0 22 22 A G S S+ 0 0 2 -2,-2.6 148,-0.2 146,-1.7 -1,-0.2 0.948 107.9 120.5 63.5 48.9 150.2 22.9 -3.1 23 23 A V + 0 0 114 145,-0.3 2,-0.2 146,-0.1 147,-0.1 0.728 60.6 59.3-111.0 -32.7 152.5 25.3 -1.2 24 24 A P S S- 0 0 50 0, 0.0 -1,-0.0 0, 0.0 147,-0.0 -0.664 93.1-101.1 -96.0 152.6 153.5 23.1 1.9 25 25 A E - 0 0 145 -2,-0.2 2,-0.2 1,-0.1 145,-0.1 -0.398 45.0-124.4 -67.4 145.2 155.2 19.7 1.8 26 26 A T - 0 0 4 87,-0.1 2,-0.2 -4,-0.1 -1,-0.1 -0.647 12.6-137.2 -97.0 155.8 152.6 17.0 2.3 27 27 A D > - 0 0 108 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.664 27.2-113.0-102.1 160.4 152.5 14.2 5.0 28 28 A S H > S+ 0 0 28 -2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.893 118.4 54.6 -61.2 -35.1 151.6 10.6 4.3 29 29 A K H > S+ 0 0 132 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.962 110.3 42.6 -64.5 -50.5 148.5 11.1 6.4 30 30 A K H > S+ 0 0 34 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.855 106.9 64.2 -66.4 -29.6 147.3 14.1 4.4 31 31 A L H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.914 102.8 48.6 -60.2 -38.8 148.2 12.3 1.2 32 32 A F H X S+ 0 0 14 -4,-1.5 4,-1.2 -3,-0.4 -1,-0.2 0.917 112.5 47.0 -68.6 -41.5 145.6 9.6 2.1 33 33 A E H X S+ 0 0 90 -4,-1.6 4,-2.2 2,-0.2 5,-0.3 0.935 112.0 51.0 -67.0 -42.7 142.9 12.2 2.8 34 34 A M H X S+ 0 0 20 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.950 109.1 48.7 -61.7 -48.0 143.6 14.2 -0.4 35 35 A I H X S+ 0 0 9 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.828 109.6 57.2 -63.4 -26.0 143.4 11.2 -2.7 36 36 A C H X S+ 0 0 12 -4,-1.2 4,-0.9 -5,-0.2 -2,-0.2 0.979 116.3 30.5 -70.3 -53.8 140.1 10.3 -0.9 37 37 A L H >X S+ 0 0 13 -4,-2.2 4,-0.7 1,-0.2 3,-0.6 0.910 118.1 58.1 -71.4 -38.4 138.3 13.6 -1.7 38 38 A E H >< S+ 0 0 7 -4,-3.0 3,-0.9 -5,-0.3 -1,-0.2 0.873 100.2 57.8 -59.5 -35.0 140.3 14.0 -4.9 39 39 A G H >< S+ 0 0 2 -4,-1.5 3,-1.3 -5,-0.3 -1,-0.2 0.869 97.9 61.4 -64.7 -33.7 138.9 10.7 -6.2 40 40 A Q H << S+ 0 0 23 -4,-0.9 4,-0.3 -3,-0.6 -1,-0.2 0.736 83.4 77.8 -66.8 -20.7 135.3 11.9 -5.8 41 41 A Q T << + 0 0 22 -3,-0.9 2,-0.5 -4,-0.7 -1,-0.3 0.541 63.6 124.1 -69.1 2.0 135.9 14.7 -8.3 42 42 A A S < S- 0 0 47 -3,-1.3 3,-0.1 1,-0.3 -3,-0.0 -0.458 99.6 -18.5 -63.9 116.2 135.5 12.0 -11.0 43 43 A G S S+ 0 0 88 -2,-0.5 -1,-0.3 1,-0.2 2,-0.2 0.291 131.2 93.7 70.0 -18.5 132.7 13.4 -13.2 44 44 A L S S- 0 0 69 -4,-0.3 2,-0.2 -3,-0.1 -1,-0.2 -0.582 84.0-104.7-100.9 167.3 131.9 15.6 -10.2 45 45 A S > - 0 0 76 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.638 21.0-124.6 -91.8 150.3 133.1 19.1 -9.5 46 46 A W H > S+ 0 0 31 -2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.883 112.9 50.0 -60.5 -36.6 135.8 19.9 -7.0 47 47 A I H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.893 103.0 59.5 -72.1 -36.0 133.5 22.4 -5.2 48 48 A T H > S+ 0 0 43 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.949 113.2 38.7 -57.4 -44.1 130.6 19.8 -5.0 49 49 A V H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.838 106.2 68.0 -74.5 -31.6 132.9 17.5 -3.0 50 50 A L H X S+ 0 0 28 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.955 102.6 44.7 -54.9 -48.4 134.4 20.5 -1.1 51 51 A K H X S+ 0 0 105 -4,-2.1 4,-1.5 1,-0.2 3,-0.4 0.938 114.1 50.0 -62.4 -40.7 131.1 21.0 0.7 52 52 A K H X S+ 0 0 47 -4,-1.2 4,-4.4 -5,-0.3 5,-0.3 0.841 99.6 67.1 -66.8 -28.6 130.8 17.3 1.3 53 53 A R H X S+ 0 0 66 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.927 99.8 49.8 -58.3 -41.3 134.4 17.4 2.6 54 54 A E H X S+ 0 0 142 -4,-1.4 4,-1.2 -3,-0.4 -1,-0.2 0.960 119.7 35.7 -63.9 -47.1 133.1 19.4 5.6 55 55 A N H X S+ 0 0 53 -4,-1.5 4,-1.7 2,-0.2 5,-0.2 0.911 117.1 54.2 -72.4 -40.8 130.3 16.9 6.3 56 56 A Y H X S+ 0 0 21 -4,-4.4 4,-3.5 1,-0.2 5,-0.2 0.951 108.0 47.9 -60.3 -48.7 132.4 13.9 5.3 57 57 A R H < S+ 0 0 108 -4,-2.5 -1,-0.2 -5,-0.3 4,-0.2 0.877 104.9 63.0 -62.1 -32.2 135.2 14.7 7.7 58 58 A A H < S+ 0 0 59 -4,-1.2 3,-0.5 -5,-0.3 -1,-0.2 0.959 115.5 29.6 -58.0 -48.1 132.6 15.2 10.4 59 59 A C H < S+ 0 0 28 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.926 128.1 42.2 -77.9 -44.2 131.5 11.6 10.1 60 60 A F S >< S+ 0 0 15 -4,-3.5 3,-1.6 -5,-0.2 2,-0.7 0.205 74.7 130.3 -85.8 18.6 134.9 10.2 9.1 61 61 A H T 3 + 0 0 113 -3,-0.5 -1,-0.2 1,-0.3 -3,-0.1 0.334 42.7 99.0 -57.0 17.1 136.5 12.5 11.7 62 62 A Q T 3 - 0 0 38 -2,-0.7 -1,-0.3 -3,-0.1 5,-0.1 0.705 64.7-164.9 -79.4 -18.0 138.4 9.4 12.8 63 63 A F < + 0 0 142 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.795 53.4 117.4 38.3 29.1 141.5 10.4 10.8 64 64 A D >> - 0 0 42 -4,-0.2 4,-1.8 1,-0.1 3,-0.8 -0.802 49.7-169.3-127.4 91.9 142.5 6.7 11.3 65 65 A P H 3> S+ 0 0 20 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.800 86.8 63.9 -50.0 -30.2 142.8 4.8 8.0 66 66 A V H 3> S+ 0 0 81 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.962 104.9 43.3 -63.2 -46.7 143.0 1.6 10.0 67 67 A K H X> S+ 0 0 106 -3,-0.8 3,-1.2 1,-0.2 4,-1.0 0.873 106.4 63.3 -66.5 -32.1 139.5 2.0 11.4 68 68 A V H >< S+ 0 0 10 -4,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.932 99.8 52.1 -58.9 -39.6 138.4 3.0 7.9 69 69 A A H 3< S+ 0 0 10 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.730 109.4 52.2 -67.6 -15.6 139.4 -0.5 6.7 70 70 A A H << S+ 0 0 66 -3,-1.2 2,-0.8 -4,-0.5 -1,-0.3 0.586 84.6 99.5 -94.5 -10.5 137.1 -1.5 9.6 71 71 A M << - 0 0 17 -3,-1.1 2,-0.1 -4,-1.0 -3,-0.0 -0.641 59.3-175.2 -77.9 110.4 134.2 0.6 8.4 72 72 A Q >> - 0 0 120 -2,-0.8 4,-1.6 1,-0.1 3,-1.0 -0.325 45.4 -81.3 -97.7-175.7 132.0 -1.9 6.6 73 73 A E H 3> S+ 0 0 95 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.838 126.5 66.7 -58.1 -29.5 128.8 -1.4 4.6 74 74 A E H 3> S+ 0 0 140 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.940 103.9 46.1 -57.8 -39.7 126.8 -1.2 7.8 75 75 A D H <> S+ 0 0 49 -3,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.902 112.4 47.9 -70.0 -40.6 128.7 2.0 8.5 76 76 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.871 105.6 61.3 -70.5 -30.7 128.2 3.4 5.0 77 77 A E H < S+ 0 0 73 -4,-2.9 4,-0.2 -5,-0.2 -1,-0.2 0.939 112.7 35.4 -60.3 -45.0 124.5 2.6 5.2 78 78 A R H >X S+ 0 0 170 -4,-1.5 3,-1.4 -5,-0.2 4,-0.7 0.857 111.5 62.1 -77.5 -35.5 124.0 4.9 8.2 79 79 A L H >< S+ 0 0 14 -4,-2.2 3,-1.1 1,-0.3 6,-0.6 0.890 89.3 66.5 -61.1 -38.6 126.5 7.6 7.0 80 80 A V T 3< S+ 0 0 9 -4,-1.9 -1,-0.3 1,-0.3 7,-0.2 0.798 110.8 40.1 -56.0 -18.7 124.5 8.4 3.9 81 81 A Q T <4 S+ 0 0 146 -3,-1.4 2,-0.9 -4,-0.2 -1,-0.3 0.573 92.1 100.8-102.6 -12.5 122.0 9.7 6.4 82 82 A D S X< S- 0 0 72 -3,-1.1 3,-1.3 -4,-0.7 -23,-0.1 -0.602 118.1 -26.9 -76.0 107.2 124.6 11.2 8.7 83 83 A A T 3 S- 0 0 68 -2,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.378 104.7 -90.6 70.2 -11.5 124.5 14.9 7.8 84 84 A G T 3 - 0 0 31 -5,-0.4 3,-0.4 -29,-0.1 -1,-0.2 0.885 65.6-176.6 75.7 36.8 123.2 13.7 4.4 85 85 A I < - 0 0 4 -3,-1.3 2,-1.5 -6,-0.6 -33,-0.1 0.184 55.8 -45.4 -52.2-172.6 126.7 13.5 2.9 86 86 A I S S- 0 0 31 1,-0.1 2,-0.2 -37,-0.1 -1,-0.2 -0.375 70.2-135.9 -61.7 92.1 127.0 12.5 -0.8 87 87 A R + 0 0 189 -2,-1.5 -1,-0.1 -3,-0.4 4,-0.0 -0.310 61.7 118.2 -53.5 112.9 124.5 9.7 -0.6 88 88 A H > - 0 0 92 -2,-0.2 4,-2.5 -12,-0.2 5,-0.2 -0.235 34.4-178.5-178.4 73.8 126.3 6.9 -2.6 89 89 A R H > S+ 0 0 104 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.890 84.4 62.5 -50.9 -38.5 127.1 3.7 -0.7 90 90 A G H > S+ 0 0 40 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.978 108.7 37.2 -53.8 -61.2 128.7 2.4 -3.9 91 91 A K H > S+ 0 0 50 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.911 115.3 57.0 -60.6 -37.7 131.4 5.0 -4.1 92 92 A I H >X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 3,-0.7 0.936 99.5 57.9 -60.9 -41.7 131.7 5.0 -0.3 93 93 A Q H 3X S+ 0 0 78 -4,-3.1 4,-2.0 1,-0.3 -1,-0.2 0.908 101.3 57.7 -55.5 -35.9 132.5 1.2 -0.4 94 94 A A H 3X S+ 0 0 20 -4,-1.4 4,-2.1 -3,-0.3 61,-0.3 0.904 100.6 57.0 -61.5 -37.0 135.4 2.2 -2.7 95 95 A I H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.5 3,-0.5 0.950 102.0 54.8 -64.4 -45.5 142.0 1.9 3.4 100 100 A R H 3X S+ 0 0 151 -4,-1.5 4,-1.7 1,-0.3 -1,-0.2 0.912 107.4 51.7 -55.3 -37.4 142.9 -1.8 3.0 101 101 A A H 3X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.852 103.5 58.9 -67.7 -30.1 145.4 -0.6 0.3 102 102 A Y H S+ 0 0 9 -4,-1.9 5,-2.8 2,-0.2 4,-0.5 0.901 113.0 50.8 -68.7 -37.2 151.7 -0.1 1.8 106 106 A E H ><5S+ 0 0 89 -4,-1.7 3,-1.3 2,-0.3 -2,-0.2 0.929 104.0 56.0 -67.6 -40.6 152.4 -0.1 5.5 107 107 A Q H 3<5S+ 0 0 151 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 112.3 45.1 -60.1 -24.3 152.8 -3.9 5.5 108 108 A N T 3<5S- 0 0 127 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.3 0.580 112.7-129.0 -92.3 -9.5 155.4 -3.0 2.9 109 109 A G T < 5 + 0 0 60 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.824 64.4 135.0 68.6 27.5 156.7 -0.2 5.2 110 110 A E < - 0 0 73 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.867 48.5-143.7-114.3 103.0 156.4 2.2 2.2 111 111 A P > - 0 0 61 0, 0.0 4,-1.4 0, 0.0 5,-0.3 -0.218 18.8-122.8 -59.2 148.3 154.8 5.6 3.1 112 112 A F H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.912 113.1 50.3 -62.2 -40.7 152.6 7.2 0.4 113 113 A A H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.826 102.1 64.4 -68.3 -28.5 154.6 10.4 0.4 114 114 A D H > S+ 0 0 89 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.969 110.3 33.5 -61.7 -52.5 157.9 8.4 0.0 115 115 A F H X S+ 0 0 9 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.874 119.9 52.6 -74.2 -33.7 157.0 6.9 -3.4 116 116 A V H >X S+ 0 0 3 -4,-1.8 4,-1.3 -5,-0.3 3,-1.2 0.991 110.2 44.5 -65.8 -56.6 155.2 10.0 -4.6 117 117 A W H 3<>S+ 0 0 38 -4,-2.2 5,-4.2 1,-0.3 6,-0.4 0.819 110.9 59.8 -57.7 -23.8 157.9 12.5 -3.8 118 118 A S H ><5S+ 0 0 36 -4,-0.9 3,-1.6 -5,-0.3 -1,-0.3 0.852 95.9 59.7 -73.2 -32.3 160.2 9.9 -5.4 119 119 A F H <<5S+ 0 0 68 -4,-1.4 -1,-0.2 -3,-1.2 -2,-0.2 0.895 108.9 43.6 -64.6 -35.3 158.2 10.2 -8.7 120 120 A V T ><5S- 0 0 22 -4,-1.3 3,-1.5 21,-0.1 -1,-0.3 0.182 124.2-106.2 -93.2 19.6 159.1 13.9 -8.9 121 121 A N T < 5 - 0 0 103 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.891 62.6 -73.3 59.9 38.5 162.7 13.0 -7.8 122 122 A H T 3 > S- 0 0 56 1,-0.1 3,-0.8 -126,-0.0 4,-0.6 -0.844 84.6-105.3-126.4 165.9 146.3 29.6 -18.5 132 132 A L G >4 S+ 0 0 71 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.891 124.2 56.5 -58.3 -34.3 144.3 26.7 -17.0 133 133 A S G 34 S+ 0 0 99 1,-0.3 -1,-0.3 43,-0.0 43,-0.0 0.843 104.7 51.7 -66.6 -29.2 144.0 25.4 -20.6 134 134 A E G <4 S+ 0 0 113 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.523 88.9 103.0 -84.1 -3.1 147.8 25.4 -20.8 135 135 A I S << S- 0 0 14 -3,-1.2 2,-0.3 -4,-0.6 39,-0.0 -0.653 75.0-126.8 -81.7 132.0 147.9 23.4 -17.6 136 136 A P - 0 0 48 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 -0.565 19.2-169.5 -79.6 139.2 148.6 19.6 -18.2 137 137 A T S S+ 0 0 65 -2,-0.3 26,-0.3 1,-0.2 2,-0.2 0.366 81.5 48.8-106.2 3.3 146.2 17.0 -16.8 138 138 A S + 0 0 63 25,-0.1 -1,-0.2 24,-0.1 22,-0.1 -0.691 67.8 164.0-144.1 88.9 148.5 14.1 -17.6 139 139 A T > - 0 0 40 -2,-0.2 4,-3.8 20,-0.2 5,-0.4 -0.691 50.4-108.1-103.0 159.8 152.2 14.5 -16.6 140 140 A P H > S+ 0 0 112 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.893 122.5 44.2 -53.9 -40.2 154.7 11.6 -16.4 141 141 A A H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.916 116.1 46.7 -72.9 -40.2 154.7 11.7 -12.6 142 142 A S H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 114.7 47.0 -68.1 -40.7 150.9 12.0 -12.4 143 143 A D H X S+ 0 0 65 -4,-3.8 4,-1.7 1,-0.2 5,-0.2 0.924 111.7 50.4 -66.9 -41.0 150.4 9.2 -14.9 144 144 A A H X S+ 0 0 23 -4,-2.1 4,-1.5 -5,-0.4 -1,-0.2 0.829 108.2 56.0 -65.9 -29.0 152.9 7.0 -13.0 145 145 A L H X S+ 0 0 1 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.936 105.3 48.5 -70.3 -46.6 151.0 7.8 -9.8 146 146 A S H X S+ 0 0 13 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.947 113.4 46.3 -62.1 -46.8 147.6 6.5 -11.1 147 147 A K H X S+ 0 0 146 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.895 115.2 48.7 -64.7 -35.2 149.0 3.2 -12.4 148 148 A A H X S+ 0 0 9 -4,-1.5 4,-1.4 -5,-0.2 -2,-0.2 0.967 115.7 41.0 -69.8 -50.4 150.9 2.7 -9.2 149 149 A L H <>S+ 0 0 5 -4,-3.0 5,-2.3 1,-0.2 4,-0.2 0.899 110.9 59.1 -65.6 -35.5 147.9 3.5 -6.9 150 150 A K H ><5S+ 0 0 132 -4,-2.7 3,-1.4 -5,-0.3 -1,-0.2 0.913 102.9 53.4 -60.0 -38.2 145.7 1.5 -9.2 151 151 A K H 3<5S+ 0 0 173 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.894 101.2 58.1 -64.7 -37.6 147.9 -1.5 -8.6 152 152 A R T 3<5S- 0 0 68 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.463 128.4 -99.9 -72.6 4.9 147.5 -1.2 -4.8 153 153 A G T < 5S+ 0 0 43 -3,-1.4 2,-0.8 1,-0.3 -3,-0.2 0.785 72.3 154.8 83.1 26.7 143.8 -1.5 -5.4 154 154 A F < - 0 0 2 -5,-2.3 -1,-0.3 -6,-0.2 3,-0.2 -0.775 25.9-160.9 -92.1 115.7 143.2 2.2 -5.1 155 155 A K + 0 0 121 -2,-0.8 -116,-0.1 -61,-0.3 -3,-0.0 -0.422 64.3 39.9 -90.1 168.9 140.1 3.2 -7.1 156 156 A F S S+ 0 0 80 -2,-0.1 -1,-0.2 1,-0.1 -115,-0.1 0.977 71.6 129.6 58.3 57.6 139.1 6.6 -8.3 157 157 A V + 0 0 14 -3,-0.2 5,-0.3 4,-0.1 -7,-0.1 -0.178 30.7 168.2-131.3 39.3 142.7 7.6 -9.5 158 158 A G >> - 0 0 39 1,-0.1 4,-1.9 -119,-0.1 3,-0.6 0.042 56.4 -94.6 -48.4 165.6 141.9 8.7 -13.0 159 159 A T H 3> S+ 0 0 62 1,-0.3 4,-1.6 2,-0.2 -20,-0.2 0.854 132.1 50.9 -56.0 -31.4 144.8 10.6 -14.8 160 160 A T H 3> S+ 0 0 69 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.829 104.2 58.8 -76.2 -28.6 143.2 13.8 -13.7 161 161 A I H <> S+ 0 0 2 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.938 107.8 43.9 -66.0 -45.2 143.1 12.4 -10.1 162 162 A C H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.3 5,-0.2 0.940 119.0 43.5 -66.4 -44.4 146.9 12.0 -9.9 163 163 A Y H X S+ 0 0 22 -4,-1.6 4,-1.8 -26,-0.3 -2,-0.2 0.930 114.6 48.8 -68.6 -43.3 147.5 15.3 -11.6 164 164 A S H X S+ 0 0 29 -4,-3.0 4,-1.5 1,-0.2 5,-0.3 0.915 110.1 53.6 -64.1 -38.5 144.9 17.2 -9.5 165 165 A F H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.3 3,-0.4 0.960 109.9 44.9 -62.1 -50.2 146.3 15.6 -6.3 166 166 A M H X>S+ 0 0 7 -4,-2.0 4,-1.6 1,-0.2 6,-1.2 0.857 106.0 64.8 -63.0 -32.0 149.9 16.7 -6.9 167 167 A Q H <5S+ 0 0 8 -4,-1.8 7,-0.2 -5,-0.2 -1,-0.2 0.925 115.9 25.4 -58.1 -45.8 148.6 20.2 -7.9 168 168 A A H <5S+ 0 0 1 -4,-1.5 -146,-1.7 -3,-0.4 -145,-0.3 0.697 112.4 68.5 -93.4 -21.7 147.3 20.9 -4.3 169 169 A C H <5S- 0 0 0 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.958 109.4-110.4 -65.0 -46.2 149.6 18.6 -2.4 170 170 A G T <5S+ 0 0 9 -4,-1.6 -3,-0.1 -148,-0.2 -4,-0.1 0.362 86.6 113.8 131.2 -0.4 152.7 20.7 -3.1 171 171 A L S