==== 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 3-METHYLADENINE DNA GLYCOSYLASE I/DNA 03-JAN-07 2OFI . COMPND 2 MOLECULE: 5'-D(*CP*GP*GP*AP*CP*TP*(3DR)P*AP*CP*GP*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.H.METZ,T.HOLLIS,B.F.EICHMAN . 184 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 69.6 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 . 9 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.7 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 1 2 2 0 1 1 0 1 1 0 0 0 0 1 0 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 X 0 0 163 0, 0.0 2,-0.4 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 116.4 -25.3 36.9 45.0 2 2 A Q + 0 0 60 176,-0.2 178,-2.9 177,-0.0 179,-0.2 -0.689 360.0 175.3 -84.4 131.6 -23.4 33.8 43.8 3 3 A R - 0 0 76 -2,-0.4 175,-0.1 176,-0.3 11,-0.0 -0.751 37.9 -66.1-127.9 173.4 -19.6 34.2 44.1 4 4 A C > - 0 0 5 -2,-0.2 3,-1.4 1,-0.1 -1,-0.2 -0.199 51.3-110.2 -59.0 157.1 -16.5 32.0 43.6 5 5 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.1 174,-0.0 -2,-0.0 0.749 111.0 58.1 -63.2 -31.8 -16.1 29.1 46.0 6 6 A W T 3 S+ 0 0 54 2,-0.0 2,-0.4 126,-0.0 -1,-0.3 0.524 78.2 106.3 -82.3 -4.4 -13.1 30.4 48.0 7 7 A V < - 0 0 24 -3,-1.4 -4,-0.1 2,-0.1 7,-0.0 -0.620 56.9-156.7 -81.9 126.8 -14.9 33.6 49.1 8 8 A S - 0 0 53 -2,-0.4 -1,-0.0 2,-0.1 -2,-0.0 -0.135 33.9 -98.2 -83.6-172.8 -15.7 33.5 52.8 9 9 A Q S S+ 0 0 180 4,-0.1 -1,-0.1 5,-0.0 -2,-0.1 0.411 85.4 118.8 -82.4 -3.3 -18.5 35.5 54.6 10 10 A D >> - 0 0 54 1,-0.2 4,-2.2 2,-0.1 3,-0.8 -0.538 64.2-141.9 -69.5 123.0 -15.9 38.1 55.8 11 11 A P H 3> S+ 0 0 102 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.767 99.9 57.9 -62.7 -25.5 -16.9 41.4 54.2 12 12 A L H 3> S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.883 109.7 44.0 -64.6 -42.6 -13.2 42.3 53.6 13 13 A Y H <> S+ 0 0 26 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.892 112.1 54.3 -71.6 -37.6 -12.7 39.2 51.5 14 14 A I H X S+ 0 0 35 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.948 109.2 46.0 -61.9 -47.5 -16.0 39.8 49.7 15 15 A A H X S+ 0 0 44 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.900 111.7 52.5 -62.9 -40.9 -15.1 43.4 48.6 16 16 A Y H X>S+ 0 0 6 -4,-1.8 5,-2.5 1,-0.2 4,-2.2 0.948 113.4 44.7 -58.9 -48.7 -11.6 42.1 47.5 17 17 A H H <5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 118.1 42.8 -59.8 -47.2 -13.3 39.4 45.4 18 18 A D H <5S+ 0 0 40 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.831 128.2 24.1 -72.8 -34.5 -15.9 41.7 43.9 19 19 A N H <5S+ 0 0 118 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.646 132.5 17.9-109.7 -18.9 -13.8 44.8 43.2 20 20 A E T ><5S+ 0 0 73 -4,-2.2 3,-1.9 -5,-0.4 -3,-0.2 0.712 88.4 94.5-122.5 -46.2 -10.2 43.6 42.7 21 21 A W T 3 - 0 0 75 1,-0.1 4,-2.5 86,-0.1 5,-0.2 -0.714 61.2-145.7 -88.2 125.3 0.1 49.6 36.9 28 28 A S H > S+ 0 0 21 -2,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.858 98.1 48.5 -57.8 -41.9 3.7 48.4 37.5 29 29 A R H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.879 111.6 48.5 -67.0 -39.3 3.7 49.4 41.1 30 30 A K H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.894 112.3 49.9 -64.2 -40.5 0.3 47.7 41.9 31 31 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.901 109.3 51.9 -63.9 -40.2 1.6 44.6 40.1 32 32 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 5,-0.2 0.933 108.8 50.3 -60.0 -50.7 4.8 44.7 42.2 33 33 A E H X S+ 0 0 19 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.949 111.7 49.1 -53.6 -45.1 2.7 45.0 45.4 34 34 A X H X S+ 0 0 21 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.870 107.9 50.5 -67.5 -37.1 0.6 42.0 44.4 35 35 A I H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.895 113.4 49.4 -67.2 -33.3 3.5 39.7 43.5 36 36 A C H X S+ 0 0 1 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.953 111.0 47.5 -66.9 -46.9 5.0 40.5 46.9 37 37 A L H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.897 109.5 53.8 -65.9 -37.1 1.7 39.8 48.8 38 38 A E H >< S+ 0 0 9 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.904 107.9 50.8 -61.9 -39.0 1.3 36.5 47.0 39 39 A G H >< S+ 0 0 2 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.879 104.1 58.0 -66.4 -32.9 4.7 35.5 48.1 40 40 A Q H 3< S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.744 97.5 64.1 -67.9 -22.0 3.8 36.4 51.6 41 41 A Q T X< S+ 0 0 50 -4,-0.9 3,-3.1 -3,-0.7 -1,-0.3 0.659 70.1 133.1 -72.4 -14.1 0.9 33.9 51.4 42 42 A A T < S- 0 0 32 -3,-1.4 3,-0.1 -4,-0.4 -3,-0.0 -0.081 83.4 -1.5 -50.7 124.2 3.3 30.9 51.0 43 43 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.361 124.0 82.1 81.3 -3.1 2.1 28.0 53.4 44 44 A L S < S- 0 0 68 -3,-3.1 -1,-0.3 1,-0.0 2,-0.2 -0.707 88.5 -89.2-123.9 171.1 -0.7 30.2 54.8 45 45 A S >> - 0 0 60 -2,-0.2 4,-1.0 1,-0.1 3,-0.8 -0.600 32.1-125.4 -78.8 147.4 -4.3 31.1 53.7 46 46 A W H >> S+ 0 0 26 -2,-0.2 4,-2.7 1,-0.2 3,-0.5 0.872 108.0 64.4 -59.2 -38.8 -4.7 34.2 51.5 47 47 A I H 3> S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.865 95.2 60.3 -56.1 -36.6 -7.2 35.8 54.0 48 48 A T H <> S+ 0 0 41 -3,-0.8 4,-0.7 1,-0.2 -1,-0.2 0.924 111.3 39.8 -53.3 -46.5 -4.3 36.0 56.6 49 49 A V H X< S+ 0 0 0 -4,-1.0 3,-0.6 -3,-0.5 4,-0.5 0.905 113.3 54.0 -69.9 -44.9 -2.3 38.2 54.2 50 50 A L H >< S+ 0 0 5 -4,-2.7 3,-1.4 1,-0.3 4,-0.4 0.912 106.0 52.4 -58.7 -43.1 -5.4 40.2 53.0 51 51 A K H 3< S+ 0 0 125 -4,-2.7 -1,-0.3 1,-0.3 3,-0.2 0.781 114.3 44.4 -62.1 -26.7 -6.3 41.1 56.6 52 52 A K T S+ 0 0 23 -3,-1.4 4,-2.7 -4,-0.5 5,-0.2 0.878 78.9 50.0 -62.6 -39.7 -2.5 44.2 53.8 54 54 A E H > S+ 0 0 117 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.3 0.906 110.5 51.8 -62.5 -36.5 -2.9 47.6 55.3 55 55 A N H > S+ 0 0 71 -3,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.914 109.9 49.4 -63.2 -44.2 -0.1 46.8 57.8 56 56 A Y H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 7,-0.3 0.912 109.1 52.2 -58.9 -46.0 2.1 45.7 54.9 57 57 A R H <>S+ 0 0 62 -4,-2.7 5,-3.1 -5,-0.2 6,-0.2 0.883 113.8 43.6 -61.9 -35.0 1.4 48.9 53.0 58 58 A A H ><5S+ 0 0 65 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.937 117.8 43.9 -71.8 -47.6 2.4 50.9 56.2 59 59 A C H 3<5S+ 0 0 19 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.762 117.3 44.9 -67.4 -31.2 5.5 48.9 56.9 60 60 A F T ><5S- 0 0 0 -4,-2.5 3,-1.9 -5,-0.2 4,-0.4 -0.111 115.5-104.6-112.8 32.0 6.8 48.7 53.3 61 61 A H G X 5S- 0 0 35 -3,-1.0 3,-1.7 1,-0.3 -3,-0.2 0.837 73.0 -58.6 61.3 42.5 6.3 52.3 52.3 62 62 A Q G 3 - 0 0 40 -3,-1.7 4,-2.4 -4,-0.4 3,-0.3 -0.739 33.6-149.2 -78.2 113.2 7.4 52.2 46.6 65 65 A P H > S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.805 91.4 57.4 -62.4 -31.3 10.4 50.2 45.4 66 66 A I H > S+ 0 0 97 2,-0.2 4,-0.9 1,-0.2 -2,-0.0 0.946 111.0 41.6 -64.2 -43.8 12.9 53.0 46.0 67 67 A R H >4 S+ 0 0 131 -3,-0.3 3,-0.5 1,-0.2 4,-0.3 0.915 117.0 48.9 -69.6 -40.3 12.0 53.3 49.7 68 68 A I H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.936 106.2 56.2 -62.8 -46.7 11.9 49.6 50.1 69 69 A A H 3< S+ 0 0 21 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.702 101.8 59.5 -61.6 -21.8 15.3 49.1 48.3 70 70 A A T << S+ 0 0 60 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.518 80.2 114.5 -80.6 -7.2 16.8 51.5 50.9 71 71 A X < - 0 0 6 -3,-2.3 2,-0.2 -4,-0.3 -3,-0.0 -0.406 51.6-156.0 -69.9 148.0 15.8 49.3 53.9 72 72 A Q >> - 0 0 116 -2,-0.1 4,-1.8 1,-0.0 3,-1.4 -0.589 35.0 -87.6-121.5 174.5 18.6 47.7 55.9 73 73 A E H 3> S+ 0 0 76 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.845 126.1 57.4 -50.8 -39.0 19.3 44.7 58.1 74 74 A E H 3> S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.806 104.4 50.6 -64.2 -32.3 18.2 46.8 61.0 75 75 A D H <> S+ 0 0 44 -3,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.899 109.9 50.5 -71.6 -39.2 14.8 47.3 59.4 76 76 A V H X S+ 0 0 7 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.948 110.4 48.0 -63.6 -48.5 14.4 43.6 58.8 77 77 A E H < S+ 0 0 86 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.912 113.1 50.0 -64.0 -36.0 15.2 42.8 62.4 78 78 A R H >< S+ 0 0 123 -4,-1.9 3,-1.7 1,-0.2 4,-0.2 0.945 110.5 48.2 -59.2 -52.5 12.7 45.5 63.5 79 79 A L H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 6,-0.2 0.825 98.6 69.7 -60.5 -30.5 9.9 44.1 61.2 80 80 A L T 3< S+ 0 0 24 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.680 101.6 47.5 -61.7 -14.1 10.6 40.6 62.5 81 81 A Q T < S+ 0 0 150 -3,-1.7 2,-0.7 -4,-0.3 -1,-0.3 0.453 87.1 104.0-101.3 -2.1 9.1 41.9 65.8 82 82 A N X - 0 0 57 -3,-2.0 3,-1.3 -4,-0.2 -3,-0.0 -0.722 52.6-164.9 -91.8 112.1 6.1 43.5 64.2 83 83 A T T 3 S+ 0 0 95 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.566 79.7 76.5 -75.4 -5.8 3.0 41.3 64.7 84 84 A G T 3 S+ 0 0 13 -29,-0.1 -1,-0.3 2,-0.1 -29,-0.2 0.617 101.4 36.9 -79.7 -10.0 1.0 43.2 62.1 85 85 A I S < S- 0 0 4 -3,-1.3 2,-0.7 -6,-0.2 -32,-0.0 -0.521 108.4 -76.0-120.5-168.3 2.9 41.4 59.3 86 86 A I - 0 0 22 -2,-0.2 2,-1.8 2,-0.1 6,-0.1 -0.871 41.9-141.8 -95.1 122.8 4.2 37.8 58.9 87 87 A R + 0 0 149 -2,-0.7 2,-0.4 -4,-0.1 -7,-0.1 -0.566 55.7 127.9 -90.3 77.9 7.3 37.6 61.1 88 88 A H > - 0 0 79 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.983 51.6-149.4-138.3 112.0 9.4 35.4 58.7 89 89 A R H > S+ 0 0 116 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.898 95.8 51.9 -55.9 -45.0 12.9 36.7 57.9 90 90 A G H > S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 111.3 47.5 -62.2 -40.6 13.0 35.2 54.4 91 91 A K H > S+ 0 0 6 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.875 112.7 47.9 -69.4 -39.2 9.6 36.7 53.4 92 92 A I H >X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.6 0.959 113.6 47.8 -63.4 -47.2 10.6 40.2 54.7 93 93 A Q H 3X S+ 0 0 90 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.809 104.6 62.6 -61.0 -31.9 13.9 40.0 52.9 94 94 A A H 3X S+ 0 0 2 -4,-1.7 4,-2.9 -5,-0.2 61,-0.3 0.864 99.2 52.8 -63.0 -38.1 12.0 38.8 49.8 95 95 A I H <>S+ 0 0 11 -4,-1.6 5,-2.1 -5,-0.1 3,-0.6 0.936 118.7 42.8 -67.5 -51.2 14.5 46.0 35.5 106 106 A E H ><5S+ 0 0 60 -4,-3.0 3,-0.8 1,-0.3 -2,-0.2 0.785 110.8 51.4 -78.9 -32.7 12.9 49.5 35.4 107 107 A Q T 3<5S+ 0 0 136 -4,-2.8 -1,-0.3 1,-0.2 -3,-0.1 0.579 113.5 51.8 -75.6 -7.5 16.0 51.7 35.5 108 108 A N T < 5S- 0 0 80 -3,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 -0.137 128.2 -79.8-125.6 33.9 17.3 49.6 32.6 109 109 A G T < 5S+ 0 0 79 -3,-0.8 2,-0.6 1,-0.1 -3,-0.2 -0.063 92.1 111.4 104.9 -33.8 14.5 49.5 29.9 110 110 A E < - 0 0 70 -5,-2.1 2,-0.4 -6,-0.2 -2,-0.2 -0.704 52.2-150.7 -94.3 116.5 12.0 46.9 31.2 111 111 A S > - 0 0 29 -2,-0.6 4,-2.5 1,-0.2 5,-0.1 -0.692 11.5-145.1 -74.3 128.9 8.5 47.8 32.4 112 112 A F H > S+ 0 0 0 -2,-0.4 4,-2.9 2,-0.2 5,-0.3 0.905 102.2 51.3 -60.4 -42.9 7.4 45.3 35.1 113 113 A A H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.946 111.3 45.6 -60.5 -47.5 3.8 45.7 33.7 114 114 A D H > S+ 0 0 122 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.917 113.1 53.6 -59.7 -40.9 4.9 45.1 30.1 115 115 A F H >< S+ 0 0 10 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.955 111.7 40.6 -60.9 -54.1 7.0 42.1 31.4 116 116 A V H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.913 113.1 54.3 -66.7 -36.1 4.2 40.3 33.2 117 117 A W H >< S+ 0 0 52 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.679 92.2 74.9 -71.1 -11.9 1.6 41.0 30.5 118 118 A S T << S+ 0 0 81 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.654 84.6 66.3 -72.5 -16.0 4.0 39.4 28.0 119 119 A F T < S+ 0 0 48 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.2 0.472 94.4 68.4 -85.5 -2.5 3.1 36.0 29.4 120 120 A V S < S- 0 0 25 -3,-1.3 2,-0.8 -4,-0.1 52,-0.1 -0.936 78.2-136.8-116.9 144.9 -0.5 36.3 28.2 121 121 A D - 0 0 104 -2,-0.4 2,-0.2 2,-0.2 -3,-0.1 -0.861 64.1 -53.7-104.3 105.3 -1.5 36.3 24.6 122 122 A G S S+ 0 0 65 -2,-0.8 3,-0.1 -5,-0.1 -2,-0.1 -0.434 116.5 21.9 69.5-126.5 -4.1 39.0 23.9 123 123 A Q S S- 0 0 169 -2,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.479 96.4 -91.7 -74.3 141.8 -7.2 39.0 26.1 124 124 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 48,-0.2 -0.186 48.5-106.4 -50.4 137.6 -7.0 37.3 29.5 125 125 A Q E -a 172 0A 154 46,-0.7 48,-2.9 -3,-0.1 2,-0.5 -0.552 31.9-140.4 -67.9 130.4 -8.2 33.7 29.2 126 126 A I E -a 173 0A 81 -2,-0.3 48,-0.2 46,-0.2 -1,-0.0 -0.818 19.8-117.7 -97.8 129.3 -11.6 33.2 30.8 127 127 A T - 0 0 17 46,-2.6 8,-0.1 -2,-0.5 48,-0.1 -0.186 14.3-160.4 -64.8 155.6 -12.2 30.0 32.7 128 128 A Q + 0 0 189 6,-0.2 -1,-0.1 48,-0.0 2,-0.1 0.351 55.9 120.2-110.7 5.5 -14.7 27.5 31.7 129 129 A A - 0 0 10 1,-0.1 48,-2.5 5,-0.1 49,-0.2 -0.368 47.0-166.7 -78.4 139.7 -14.8 25.9 35.2 130 130 A A S S+ 0 0 69 46,-0.2 2,-0.3 47,-0.2 48,-0.2 0.481 76.0 33.1 -95.2 -8.5 -18.0 25.8 37.2 131 131 A S S > S- 0 0 35 1,-0.1 3,-1.8 -127,-0.0 4,-0.2 -0.986 81.5-112.4-151.0 157.5 -16.1 24.9 40.4 132 132 A L G > S+ 0 0 79 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.836 111.0 64.4 -61.9 -33.7 -12.8 25.5 42.2 133 133 A D G 3 S+ 0 0 117 1,-0.3 -1,-0.3 -3,-0.0 -4,-0.0 0.677 101.0 53.5 -66.8 -13.5 -11.7 21.9 41.9 134 134 A K G < S+ 0 0 144 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.325 88.4 92.2-103.0 7.8 -11.6 22.4 38.0 135 135 A I S < S- 0 0 14 -3,-2.0 39,-0.0 -4,-0.2 41,-0.0 -0.839 80.8-119.1 -99.6 134.4 -9.4 25.5 38.1 136 136 A P - 0 0 56 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.305 7.0-148.1 -69.3 161.0 -5.7 24.8 37.7 137 137 A T S S+ 0 0 99 1,-0.4 2,-0.3 26,-0.0 27,-0.2 0.598 84.6 5.7-102.2 -15.2 -3.2 25.7 40.5 138 138 A S - 0 0 42 25,-0.1 -1,-0.4 24,-0.1 22,-0.1 -0.964 68.0-169.7-156.2 163.0 -0.4 26.4 38.0 139 139 A T > - 0 0 29 -2,-0.3 4,-2.7 20,-0.2 5,-0.2 -0.886 44.8 -90.3-143.5 169.8 -0.1 26.4 34.2 140 140 A P H > S+ 0 0 111 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.870 126.7 51.8 -52.0 -40.4 2.6 26.5 31.5 141 141 A A H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.924 109.8 47.2 -64.1 -43.7 2.3 30.4 31.5 142 142 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 110.6 54.3 -67.6 -34.2 2.8 30.5 35.4 143 143 A D H X S+ 0 0 86 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.924 112.1 43.7 -60.2 -43.1 5.7 28.1 35.0 144 144 A A H X S+ 0 0 42 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.879 113.3 50.1 -70.6 -42.0 7.3 30.5 32.5 145 145 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.933 111.1 49.9 -64.2 -44.6 6.6 33.6 34.5 146 146 A A H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.909 111.0 48.5 -58.7 -41.3 8.1 32.0 37.6 147 147 A K H X S+ 0 0 154 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.928 113.4 47.4 -68.7 -41.5 11.3 30.9 35.8 148 148 A A H X S+ 0 0 16 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.873 111.8 49.8 -67.2 -42.0 11.7 34.5 34.3 149 149 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 3,-0.4 0.914 110.4 50.5 -61.7 -43.4 11.1 36.2 37.7 150 150 A K H ><5S+ 0 0 124 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.922 107.1 53.6 -62.7 -42.2 13.7 33.9 39.4 151 151 A K H 3<5S+ 0 0 177 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 106.8 54.6 -57.3 -31.3 16.2 34.7 36.7 152 152 A R T 3<5S- 0 0 79 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.412 127.1 -97.6 -90.9 3.3 15.6 38.4 37.4 153 153 A G T < 5S+ 0 0 37 -3,-1.6 -3,-0.2 1,-0.3 -52,-0.2 0.524 72.0 147.3 100.4 7.0 16.4 38.0 41.1 154 154 A F < - 0 0 5 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.3 -0.451 30.5-154.0 -76.9 153.2 12.8 37.7 42.6 155 155 A K + 0 0 115 -61,-0.3 -116,-0.1 1,-0.2 -57,-0.1 -0.895 69.5 27.7-129.3 156.3 12.2 35.6 45.6 156 156 A F S S+ 0 0 68 -2,-0.3 -1,-0.2 1,-0.1 -114,-0.1 0.947 86.1 124.3 54.8 52.8 9.1 33.7 46.9 157 157 A V + 0 0 2 -3,-0.2 -7,-0.2 -11,-0.1 -8,-0.2 -0.348 27.1 151.9-139.8 51.9 7.9 33.4 43.2 158 158 A G > - 0 0 23 1,-0.1 4,-2.9 -9,-0.1 5,-0.2 -0.169 61.7 -89.1 -78.0 178.9 7.2 29.8 42.3 159 159 A T H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -20,-0.2 0.840 125.3 47.9 -62.7 -32.2 4.7 28.6 39.7 160 160 A T H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.948 114.3 46.3 -76.9 -43.8 1.8 28.3 42.1 161 161 A I H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.922 113.0 51.7 -56.8 -45.6 2.4 31.7 43.6 162 162 A C H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.882 109.2 49.1 -64.0 -38.6 2.8 33.1 40.1 163 163 A Y H X S+ 0 0 10 -4,-2.0 4,-2.5 -26,-0.2 -1,-0.2 0.930 110.0 50.4 -68.8 -41.4 -0.5 31.6 38.9 164 164 A S H X S+ 0 0 31 -4,-2.6 4,-2.7 -27,-0.2 -2,-0.2 0.903 111.2 50.4 -59.8 -39.2 -2.4 33.0 42.0 165 165 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 6,-0.3 0.918 108.4 52.2 -60.5 -47.9 -0.8 36.4 41.1 166 166 A X H <>S+ 0 0 4 -4,-2.5 5,-1.6 1,-0.2 6,-1.6 0.897 113.0 44.8 -55.3 -43.4 -2.0 36.0 37.5 167 167 A Q H ><5S+ 0 0 23 -4,-2.5 3,-1.1 4,-0.2 -145,-0.6 0.938 114.0 49.3 -63.5 -49.4 -5.6 35.3 38.7 168 168 A A H 3<5S+ 0 0 5 -4,-2.7 -146,-1.3 1,-0.3 -145,-0.6 0.877 115.8 40.7 -61.3 -40.1 -5.5 38.1 41.2 169 169 A C T 3<5S- 0 0 4 -4,-2.8 -144,-2.5 -147,-0.2 -1,-0.3 0.274 115.3-111.8 -96.2 7.4 -4.3 40.8 38.7 170 170 A G T < 5S+ 0 0 0 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.588 76.5 132.9 76.3 17.2 -6.5 39.5 35.9 171 171 A L S - 0 0 11 -2,-0.4 3,-2.2 1,-0.1 6,-0.3 -0.181 26.6-104.5 -59.6 157.5 -16.2 30.4 38.1 177 177 A T T 3 S+ 0 0 66 -48,-2.5 -47,-0.2 1,-0.3 -1,-0.1 0.791 120.6 49.2 -54.3 -34.1 -19.0 30.4 35.5 178 178 A G T 3 S+ 0 0 52 -48,-0.2 -1,-0.3 -49,-0.2 2,-0.2 0.516 86.2 108.0 -85.4 -5.8 -21.8 30.7 38.1 179 179 A C S X S- 0 0 5 -3,-2.2 3,-2.0 1,-0.1 -176,-0.3 -0.481 75.8-129.5 -71.0 137.1 -20.1 33.7 39.9 180 180 A F T 3 S+ 0 0 90 -178,-2.9 4,-0.1 1,-0.3 -1,-0.1 0.736 109.1 56.8 -60.4 -20.3 -21.8 37.0 39.3 181 181 A C T 3 S+ 0 0 35 -179,-0.2 -1,-0.3 -5,-0.1 -6,-0.1 0.527 78.2 115.4 -87.0 -8.8 -18.4 38.5 38.2 182 182 A H S < S- 0 0 32 -3,-2.0 2,-2.7 -6,-0.3 -6,-0.1 -0.426 77.4-123.2 -59.5 131.0 -17.9 35.9 35.5 183 183 A P 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.450 360.0 360.0 -76.2 72.5 -17.9 37.7 32.1 184 184 A G 0 0 107 -2,-2.7 -2,-0.0 -4,-0.1 -3,-0.0 0.701 360.0 360.0 -79.6 360.0 -20.8 35.5 31.0