==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JAN-09 3FZG . COMPND 2 MOLECULE: 16S RRNA METHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.SCHMITT,M.GALIMAND,M.PANVERT,P.COURVALIN,Y.MECHULAM . 197 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 78.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 7.6 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 . 1 0.5 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 . 25 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2 0 2 1 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 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 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 58 A A 0 0 149 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.0 -5.7 17.6 29.0 2 59 A Y - 0 0 142 1,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.406 360.0-105.7 -61.0 131.0 -3.7 19.7 26.4 3 60 A P - 0 0 31 0, 0.0 2,-1.2 0, 0.0 3,-0.1 -0.278 14.9-129.7 -65.2 143.7 -1.6 22.2 28.4 4 61 A N > - 0 0 92 1,-0.2 4,-2.6 -3,-0.1 3,-0.2 -0.766 26.7-171.9 -91.3 90.5 -2.4 25.9 28.7 5 62 A W H > S+ 0 0 20 -2,-1.2 4,-2.6 1,-0.2 5,-0.2 0.896 79.8 51.0 -52.2 -50.7 1.0 27.2 27.7 6 63 A D H > S+ 0 0 113 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.886 114.4 44.9 -57.1 -40.2 0.3 30.9 28.5 7 64 A K H > S+ 0 0 116 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 112.0 51.3 -72.7 -38.6 -1.0 29.9 31.9 8 65 A L H X S+ 0 0 24 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.880 108.2 52.9 -65.5 -37.6 1.9 27.6 32.6 9 66 A L H X S+ 0 0 36 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.883 109.0 49.6 -65.8 -38.3 4.4 30.3 31.7 10 67 A K H X S+ 0 0 126 -4,-1.4 4,-1.4 -5,-0.2 -2,-0.2 0.934 111.2 47.8 -66.4 -45.9 2.8 32.7 34.1 11 68 A K H <>S+ 0 0 73 -4,-2.2 5,-2.8 2,-0.2 6,-0.7 0.917 113.3 49.4 -60.8 -43.3 2.8 30.2 37.0 12 69 A Y H ><5S+ 0 0 42 -4,-2.4 3,-2.4 4,-0.2 5,-0.3 0.957 109.2 50.4 -60.3 -52.4 6.5 29.4 36.2 13 70 A N H 3<5S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.755 110.1 52.9 -58.7 -23.7 7.5 33.1 36.1 14 71 A Q T 3<5S- 0 0 128 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.406 118.7-111.4 -92.2 1.6 5.7 33.5 39.5 15 72 A G T < 5S+ 0 0 65 -3,-2.4 -3,-0.2 2,-0.2 -2,-0.1 0.601 87.3 118.2 80.3 11.0 7.7 30.6 41.0 16 73 A Q S - 0 0 46 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.568 38.5-104.0-108.2 174.1 9.7 24.3 38.8 19 76 A I H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.875 124.6 58.3 -65.4 -34.3 11.6 22.6 35.9 20 77 A E H > S+ 0 0 123 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.911 105.9 47.4 -59.9 -43.3 10.8 19.4 37.8 21 78 A D H >> S+ 0 0 61 1,-0.2 3,-1.4 2,-0.2 4,-0.6 0.945 111.0 52.1 -62.8 -46.8 7.1 20.1 37.6 22 79 A L H >X S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 4,-0.6 0.873 101.5 59.7 -57.7 -40.5 7.5 21.0 33.9 23 80 A L H 3< S+ 0 0 5 -4,-2.5 -1,-0.3 1,-0.3 10,-0.2 0.677 101.1 56.9 -63.6 -17.2 9.2 17.7 33.1 24 81 A K H << S+ 0 0 117 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.647 89.3 77.1 -87.6 -16.0 6.2 15.8 34.4 25 82 A I H << S+ 0 0 63 -3,-1.4 2,-0.7 -4,-0.6 -2,-0.2 0.930 88.3 54.1 -61.1 -51.7 3.8 17.5 32.0 26 83 A H S >X S- 0 0 27 -4,-0.6 4,-3.1 1,-0.1 3,-1.1 -0.784 78.2-145.7 -90.5 117.8 4.7 15.5 28.8 27 84 A S H 3> S+ 0 0 72 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.819 96.1 58.7 -51.1 -37.3 4.3 11.8 29.5 28 85 A S H 34 S+ 0 0 5 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.878 115.3 35.4 -64.0 -35.8 7.2 10.9 27.2 29 86 A T H X> S+ 0 0 2 -3,-1.1 4,-1.4 2,-0.2 3,-0.8 0.845 113.5 58.6 -83.9 -35.3 9.6 13.0 29.2 30 87 A N H 3< S+ 0 0 70 -4,-3.1 4,-0.5 1,-0.3 3,-0.4 0.909 104.4 52.6 -57.7 -40.6 7.8 12.2 32.5 31 88 A E T 3< S+ 0 0 75 -4,-2.6 157,-0.4 -5,-0.2 -1,-0.3 0.727 110.3 48.8 -66.9 -23.3 8.6 8.5 31.8 32 89 A R T X4 S+ 0 0 1 -3,-0.8 3,-1.5 -4,-0.4 -1,-0.2 0.653 85.7 86.9 -92.6 -18.6 12.3 9.3 31.3 33 90 A V G >< S+ 0 0 61 -4,-1.4 3,-1.6 -3,-0.4 4,-0.3 0.879 84.2 56.5 -49.3 -47.2 12.9 11.4 34.4 34 91 A A G 3 S+ 0 0 96 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.738 120.8 29.8 -60.6 -23.7 13.7 8.3 36.6 35 92 A T G <> S+ 0 0 19 -3,-1.5 4,-2.8 -4,-0.1 -1,-0.3 0.030 81.3 125.1-124.5 28.0 16.4 7.3 34.3 36 93 A L H <> S+ 0 0 20 -3,-1.6 4,-2.0 1,-0.2 5,-0.2 0.921 79.1 41.9 -53.5 -52.4 17.5 10.7 32.9 37 94 A N H > S+ 0 0 97 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.919 115.0 50.6 -64.2 -43.2 21.2 10.3 33.8 38 95 A D H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 109.1 53.3 -61.8 -38.6 21.3 6.7 32.7 39 96 A F H X S+ 0 0 0 -4,-2.8 4,-2.3 -7,-0.2 -2,-0.2 0.965 114.9 37.2 -60.7 -56.7 19.8 7.6 29.4 40 97 A Y H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.815 113.9 56.0 -69.3 -30.2 22.2 10.3 28.5 41 98 A T H X S+ 0 0 78 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.907 111.3 46.4 -65.9 -39.5 25.2 8.5 29.9 42 99 A Y H X S+ 0 0 20 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.934 113.9 47.2 -66.3 -48.7 24.3 5.6 27.6 43 100 A V H >X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 3,-0.7 0.957 118.8 37.0 -59.8 -56.3 23.8 7.8 24.5 44 101 A F H 3< S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 5,-0.2 0.707 113.0 60.7 -72.5 -17.7 27.0 9.8 24.8 45 102 A G H 3< S+ 0 0 61 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.746 113.5 35.2 -79.3 -22.8 28.9 6.8 26.1 46 103 A N H << S+ 0 0 70 -4,-1.2 2,-0.5 -3,-0.7 -2,-0.2 0.432 112.3 63.3-108.5 -4.5 28.2 4.9 22.9 47 104 A I S < S- 0 0 6 -4,-0.8 3,-0.3 -5,-0.1 -1,-0.2 -0.927 84.5-135.1-125.1 103.9 28.4 7.8 20.5 48 105 A K - 0 0 184 -2,-0.5 -3,-0.1 1,-0.2 -2,-0.0 -0.347 68.4 -18.4 -61.9 136.9 31.8 9.4 20.4 49 106 A H - 0 0 113 -5,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.833 64.7-160.9 22.2 93.7 31.9 13.2 20.5 50 107 A V + 0 0 9 -3,-0.3 23,-0.2 1,-0.2 -1,-0.1 -0.791 21.7 165.0 -92.5 130.1 28.6 14.8 19.6 51 108 A S S S+ 0 0 50 -2,-0.4 24,-2.7 1,-0.4 2,-0.4 0.563 70.7 31.2-115.4 -25.3 28.8 18.4 18.5 52 109 A S E -a 75 0A 17 22,-0.2 66,-1.5 24,-0.0 65,-0.5 -0.999 62.8-175.5-140.2 140.7 25.4 18.7 16.9 53 110 A I E -ab 76 118A 0 22,-2.4 24,-3.4 -2,-0.4 2,-0.5 -0.987 13.4-158.1-135.4 142.2 22.0 17.0 17.6 54 111 A L E -ab 77 119A 0 64,-1.9 66,-3.4 -2,-0.4 2,-0.8 -0.991 9.3-162.3-118.2 119.7 18.7 17.1 15.9 55 112 A D E > -ab 78 120A 0 22,-3.2 24,-2.2 -2,-0.5 3,-0.9 -0.868 11.4-160.3-103.9 97.5 15.8 16.0 18.2 56 113 A F E 3 S+a 79 0A 7 64,-2.0 66,-0.3 -2,-0.8 24,-0.2 -0.698 79.3 5.3 -83.8 122.0 12.9 15.2 15.8 57 114 A G T 3 S+ 0 0 1 22,-2.5 -1,-0.3 -2,-0.5 23,-0.3 0.908 87.8 177.3 70.1 43.0 9.5 15.2 17.6 58 115 A C X + 0 0 0 21,-2.1 3,-2.0 -3,-0.9 22,-0.1 0.708 2.7 179.0 -53.8 -33.8 11.4 16.5 20.6 59 116 A G T 3 S- 0 0 0 1,-0.3 -1,-0.2 140,-0.2 -2,-0.1 -0.395 71.2 -26.5 61.6-136.8 8.5 17.0 23.0 60 117 A F T >> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.1 3,-1.3 0.347 108.7 107.0 -92.2 6.5 9.8 18.2 26.4 61 118 A N H <> + 0 0 0 -3,-2.0 4,-3.0 1,-0.3 5,-0.3 0.818 66.9 68.6 -55.4 -32.0 13.3 16.6 25.9 62 119 A P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.921 104.5 44.0 -53.7 -39.0 14.8 20.0 25.3 63 120 A L H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.859 111.1 53.2 -71.0 -38.9 14.1 20.8 29.0 64 121 A A H X S+ 0 0 3 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.888 107.2 52.0 -64.6 -39.8 15.3 17.3 30.1 65 122 A L H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 -1,-0.2 0.907 108.3 51.5 -63.2 -41.6 18.6 17.9 28.3 66 123 A Y H < S+ 0 0 58 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.937 110.7 49.1 -59.2 -45.8 19.0 21.2 30.1 67 124 A Q H < S+ 0 0 93 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.888 117.3 40.1 -61.5 -41.4 18.4 19.4 33.4 68 125 A W H < S+ 0 0 51 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.878 96.5 93.8 -77.0 -40.2 20.9 16.7 32.7 69 126 A N < + 0 0 19 -4,-3.1 -29,-0.0 -5,-0.2 -4,-0.0 -0.168 37.6 169.8 -60.1 145.3 23.6 18.8 31.1 70 127 A E S S- 0 0 165 28,-0.0 29,-0.3 29,-0.0 -1,-0.1 0.664 79.0 -25.8-115.6 -63.7 26.5 20.2 33.1 71 128 A N S S+ 0 0 105 27,-0.1 2,-0.1 28,-0.1 -2,-0.1 0.000 79.8 150.6-148.8 36.6 29.0 21.6 30.5 72 129 A E - 0 0 66 1,-0.1 2,-0.9 2,-0.0 -21,-0.1 -0.427 42.8-134.3 -71.7 148.7 28.6 19.8 27.2 73 130 A K + 0 0 167 -23,-0.2 2,-0.4 -2,-0.1 27,-0.1 -0.835 51.2 140.7-104.6 93.0 29.5 21.8 24.0 74 131 A I - 0 0 6 -2,-0.9 27,-3.2 25,-0.2 2,-0.8 -0.996 51.4-141.4-140.6 142.6 26.6 20.9 21.7 75 132 A I E -ac 52 101A 63 -24,-2.7 -22,-2.4 -2,-0.4 2,-0.6 -0.913 31.0-162.8-100.0 109.9 24.4 22.7 19.2 76 133 A Y E -ac 53 102A 0 25,-2.9 27,-2.5 -2,-0.8 2,-0.6 -0.873 7.2-162.5-104.4 116.4 21.0 21.2 19.9 77 134 A H E -ac 54 103A 37 -24,-3.4 -22,-3.2 -2,-0.6 2,-0.5 -0.860 9.1-163.1 -99.7 121.1 18.3 21.6 17.2 78 135 A A E +ac 55 104A 0 25,-2.7 27,-2.9 -2,-0.6 2,-0.4 -0.902 12.4 171.8-111.3 129.1 14.7 20.9 18.4 79 136 A Y E +ac 56 105A 21 -24,-2.2 -22,-2.5 -2,-0.5 -21,-2.1 -0.998 4.9 158.7-136.7 134.2 11.7 20.2 16.2 80 137 A D - 0 0 3 25,-0.5 6,-0.1 -2,-0.4 -24,-0.0 -0.985 44.0-126.3-150.9 145.1 8.2 19.1 17.0 81 138 A I S S+ 0 0 103 -2,-0.3 2,-1.4 1,-0.1 3,-0.1 0.767 93.7 87.1 -63.8 -24.5 5.0 19.4 15.0 82 139 A D > - 0 0 31 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.632 59.7-176.5 -80.7 95.0 3.3 21.1 18.0 83 140 A R H > S+ 0 0 154 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.873 78.8 52.6 -59.6 -43.1 4.3 24.8 17.3 84 141 A A H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 107.9 52.3 -63.4 -38.1 2.8 26.2 20.5 85 142 A E H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 109.4 49.7 -63.9 -40.1 4.7 23.7 22.6 86 143 A I H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.909 109.3 52.0 -64.2 -42.3 7.9 24.7 20.9 87 144 A A H X S+ 0 0 54 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.909 110.6 48.3 -60.5 -43.5 7.1 28.4 21.5 88 145 A F H X S+ 0 0 6 -4,-2.3 4,-2.1 2,-0.2 3,-0.2 0.958 112.4 47.6 -61.4 -52.2 6.6 27.6 25.2 89 146 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.889 109.9 53.1 -57.5 -41.3 9.9 25.7 25.5 90 147 A S H X S+ 0 0 51 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.865 108.5 50.7 -63.8 -36.1 11.8 28.4 23.7 91 148 A S H X S+ 0 0 50 -4,-1.8 4,-0.5 -3,-0.2 -1,-0.2 0.906 114.7 42.7 -68.6 -41.7 10.5 31.0 26.2 92 149 A I H >X S+ 0 0 0 -4,-2.1 3,-1.6 2,-0.2 4,-0.7 0.970 116.7 44.9 -68.1 -54.7 11.5 28.9 29.2 93 150 A I H >< S+ 0 0 11 -4,-2.9 3,-0.7 1,-0.3 -1,-0.2 0.814 105.0 63.4 -61.4 -29.6 14.9 27.8 27.9 94 151 A G H 3< S+ 0 0 66 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.759 101.1 53.5 -65.7 -21.8 15.6 31.4 26.8 95 152 A K H << S+ 0 0 102 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.724 100.1 84.4 -82.9 -22.5 15.4 32.3 30.4 96 153 A L S << S- 0 0 35 -3,-0.7 2,-0.5 -4,-0.7 -3,-0.0 -0.299 73.0-128.7 -84.6 164.0 18.0 29.7 31.4 97 154 A K + 0 0 187 -2,-0.1 2,-0.3 -31,-0.0 3,-0.1 -0.954 44.4 145.4-112.4 118.1 21.8 29.6 31.5 98 155 A T - 0 0 38 -2,-0.5 -27,-0.1 2,-0.1 -32,-0.1 -0.998 53.5-132.3-155.6 150.3 23.4 26.6 29.8 99 156 A T S S+ 0 0 62 -29,-0.3 -25,-0.2 -2,-0.3 2,-0.2 0.775 84.7 91.4 -73.1 -25.9 26.4 25.6 27.7 100 157 A I S S- 0 0 6 -27,-0.1 2,-0.7 -25,-0.1 -25,-0.2 -0.486 76.7-134.5 -72.1 138.5 24.2 23.8 25.2 101 158 A K E -c 75 0A 112 -27,-3.2 -25,-2.9 -2,-0.2 2,-0.3 -0.850 21.2-151.3 -97.3 114.1 23.2 26.0 22.2 102 159 A Y E -c 76 0A 28 -2,-0.7 2,-0.4 -27,-0.2 -25,-0.2 -0.665 16.6-178.3 -89.7 138.2 19.5 25.6 21.5 103 160 A R E -c 77 0A 120 -27,-2.5 -25,-2.7 -2,-0.3 2,-0.7 -0.945 12.7-156.7-134.4 108.9 18.0 26.1 18.0 104 161 A F E -c 78 0A 40 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.798 11.0-154.0 -92.0 117.8 14.2 25.7 17.8 105 162 A L E +c 79 0A 30 -27,-2.9 -25,-0.5 -2,-0.7 3,-0.1 -0.692 22.5 171.9 -92.5 142.5 13.1 24.8 14.3 106 163 A N + 0 0 74 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.519 62.7 73.2-121.4 -17.0 9.6 25.6 13.1 107 164 A K >> - 0 0 124 1,-0.2 4,-1.1 2,-0.0 3,-1.1 -0.902 63.6-156.8-106.6 114.6 9.8 24.8 9.4 108 165 A E H >> S+ 0 0 95 -2,-0.6 4,-1.0 1,-0.3 3,-0.8 0.895 93.4 61.0 -55.1 -41.5 9.9 21.0 8.7 109 166 A S H 34 S+ 0 0 51 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.817 101.1 54.1 -57.4 -30.8 11.7 21.7 5.3 110 167 A D H X> S+ 0 0 69 -3,-1.1 3,-1.0 1,-0.2 4,-0.7 0.831 97.1 68.3 -72.0 -31.4 14.6 23.3 7.2 111 168 A V H X< S+ 0 0 0 -4,-1.1 3,-1.1 -3,-0.8 -2,-0.2 0.926 99.3 45.4 -52.7 -53.1 15.0 20.2 9.4 112 169 A Y T 3< S+ 0 0 47 -4,-1.0 -1,-0.2 1,-0.2 31,-0.2 0.577 103.2 66.4 -72.1 -9.5 16.2 17.8 6.6 113 170 A K T <4 S+ 0 0 155 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.653 85.3 88.8 -86.6 -15.8 18.6 20.4 5.2 114 171 A G S << S- 0 0 21 -3,-1.1 29,-0.7 -4,-0.7 2,-0.5 -0.274 72.7-128.5 -80.8 167.1 20.9 20.4 8.2 115 172 A T E - d 0 143A 85 27,-0.1 2,-0.4 -62,-0.0 29,-0.2 -0.978 30.9-179.3-115.8 122.8 23.9 18.2 9.0 116 173 A Y E - d 0 144A 8 27,-2.0 29,-0.8 -2,-0.5 30,-0.3 -0.971 35.1-143.4-128.1 140.5 23.9 16.5 12.4 117 174 A D E S+ 0 0 52 -65,-0.5 28,-0.9 -2,-0.4 29,-0.8 0.911 94.5 8.8 -63.5 -39.4 26.3 14.2 14.2 118 175 A V E -bd 53 146A 0 -66,-1.5 -64,-1.9 27,-0.2 2,-0.5 -0.994 64.0-150.6-144.0 148.4 23.3 12.5 15.7 119 176 A V E -bd 54 147A 0 27,-2.0 29,-2.2 -2,-0.3 2,-0.5 -0.979 15.3-145.6-119.5 126.5 19.5 12.5 15.2 120 177 A F E +bd 55 148A 0 -66,-3.4 -64,-2.0 -2,-0.5 2,-0.2 -0.803 21.5 171.9 -92.8 129.5 17.2 11.6 18.2 121 178 A L E > + d 0 149A 0 27,-3.1 29,-1.8 -2,-0.5 3,-0.7 -0.678 17.2 178.7-133.1 71.7 14.0 9.8 17.3 122 179 A L E 3 S- d 0 150A 0 -66,-0.3 29,-0.1 1,-0.3 27,-0.1 -0.712 71.3 -19.7 -84.9 117.9 12.8 9.0 20.9 123 180 A K T 3 S+ 0 0 5 27,-0.8 -1,-0.3 -2,-0.6 28,-0.2 0.906 112.1 113.2 51.2 44.8 9.5 7.1 21.0 124 181 A M <> + 0 0 0 -3,-0.7 4,-2.6 26,-0.6 5,-0.3 0.736 47.0 70.8-114.5 -38.7 8.8 8.4 17.5 125 182 A L H > S+ 0 0 0 -4,-0.4 4,-2.9 25,-0.4 5,-0.2 0.882 100.1 50.3 -54.0 -41.7 8.8 5.5 15.0 126 183 A P H > S+ 0 0 24 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.943 112.0 48.9 -62.6 -42.8 5.5 4.1 16.2 127 184 A V H > S+ 0 0 37 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.932 115.4 42.7 -59.7 -48.5 3.9 7.6 15.9 128 185 A L H <>S+ 0 0 6 -4,-2.6 5,-2.2 2,-0.2 3,-0.5 0.912 110.9 54.8 -65.6 -43.9 5.2 8.1 12.4 129 186 A K H ><5S+ 0 0 114 -4,-2.9 3,-1.8 -5,-0.3 -1,-0.2 0.903 106.1 53.9 -54.7 -42.6 4.4 4.6 11.3 130 187 A Q H 3<5S+ 0 0 152 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.825 102.9 56.1 -61.2 -34.2 0.8 5.3 12.5 131 188 A Q T 3<5S- 0 0 97 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.271 122.2-110.4 -83.2 11.7 0.8 8.4 10.3 132 189 A D T < 5 + 0 0 147 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.781 60.9 162.7 65.1 30.0 1.7 6.1 7.4 133 190 A V < - 0 0 45 -5,-2.2 2,-1.3 1,-0.1 -1,-0.2 -0.644 46.9-122.2 -81.1 134.3 5.2 7.5 7.0 134 191 A N > - 0 0 91 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.670 28.4-159.4 -75.7 99.8 7.5 5.3 5.0 135 192 A I H > S+ 0 0 12 -2,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.845 83.5 50.3 -52.1 -44.0 10.1 4.9 7.8 136 193 A L H > S+ 0 0 37 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.928 112.6 45.7 -64.3 -44.9 13.0 3.9 5.6 137 194 A D H > S+ 0 0 91 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.921 113.1 53.4 -62.1 -41.8 12.5 6.8 3.2 138 195 A F H >< S+ 0 0 12 -4,-2.6 3,-1.5 1,-0.2 4,-0.3 0.923 106.5 50.2 -57.8 -48.7 12.1 9.0 6.2 139 196 A L H >< S+ 0 0 1 -4,-2.7 3,-1.1 1,-0.3 58,-0.3 0.807 102.8 61.6 -62.5 -29.4 15.4 7.9 7.8 140 197 A Q H 3< S+ 0 0 121 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.643 88.2 74.1 -72.6 -13.3 17.2 8.6 4.5 141 198 A L T << S+ 0 0 83 -3,-1.5 2,-0.5 -4,-0.5 -1,-0.2 0.691 80.7 87.7 -72.6 -18.7 16.3 12.3 4.7 142 199 A F < - 0 0 11 -3,-1.1 2,-1.6 -4,-0.3 55,-0.4 -0.715 65.0-152.2 -93.1 129.0 18.8 12.9 7.5 143 200 A H E +d 115 0A 108 -29,-0.7 -27,-2.0 -2,-0.5 2,-0.3 -0.687 56.7 126.0 -91.6 80.9 22.4 13.8 6.8 144 201 A T E -d 116 0A 5 -2,-1.6 53,-0.3 -29,-0.2 -27,-0.2 -0.931 61.1-143.1-137.5 160.8 23.6 12.3 10.1 145 202 A Q E S+ 0 0 114 -28,-0.9 51,-0.3 -29,-0.8 2,-0.3 0.623 85.4 20.3 -98.4 -17.7 26.2 9.7 11.2 146 203 A N E -d 118 0A 32 -29,-0.8 -27,-2.0 -30,-0.3 2,-0.3 -0.994 59.6-153.5-150.8 155.0 24.1 8.2 14.0 147 204 A F E -dE 119 194A 0 47,-1.6 47,-2.3 -2,-0.3 2,-0.6 -0.930 8.5-152.5-125.6 151.3 20.6 7.8 15.2 148 205 A V E -dE 120 193A 0 -29,-2.2 -27,-3.1 -2,-0.3 2,-0.5 -0.978 26.2-179.9-121.5 107.7 19.2 7.2 18.7 149 206 A I E -dE 121 192A 0 43,-2.2 43,-3.2 -2,-0.6 2,-0.3 -0.964 2.0-179.8-116.4 123.8 16.0 5.4 18.1 150 207 A S E -dE 122 191A 0 -29,-1.8 -27,-0.8 -2,-0.5 -26,-0.6 -0.880 15.3-160.5-127.3 157.9 13.8 4.3 21.1 151 208 A F E - E 0 190A 2 39,-2.2 39,-3.1 -2,-0.3 2,-0.1 -0.980 28.1-112.3-133.3 143.9 10.6 2.6 21.8 152 209 A P E - E 0 189A 32 0, 0.0 2,-0.8 0, 0.0 37,-0.2 -0.489 24.3-135.9 -73.5 146.7 8.4 2.6 24.9 153 210 A I - 0 0 74 35,-3.1 3,-0.1 -2,-0.1 2,-0.1 -0.906 27.6-149.2-104.4 104.4 8.2 -0.7 26.8 154 211 A K - 0 0 105 -2,-0.8 35,-0.0 1,-0.1 0, 0.0 -0.353 26.5 -84.1 -76.6 155.5 4.6 -1.2 27.6 155 212 A S - 0 0 95 1,-0.2 -1,-0.1 -2,-0.1 33,-0.0 -0.257 31.5-135.8 -54.8 140.5 3.2 -2.9 30.7 156 213 A L 0 0 184 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.565 360.0 360.0 -77.4 -8.3 3.0 -6.7 30.1 157 214 A S 0 0 145 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.706 360.0 360.0 -97.6 360.0 -0.5 -6.7 31.7 158 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 159 217 A E > 0 0 230 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -89.2 -5.1 -5.4 24.3 160 218 A K T 3 + 0 0 198 1,-0.2 3,-0.0 0, 0.0 0, 0.0 -0.778 360.0 8.0 -94.3 131.7 -6.6 -8.0 22.0 161 219 A G T 3 S+ 0 0 77 -2,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.595 99.2 108.8 79.2 11.7 -5.5 -7.9 18.3 162 220 A M < + 0 0 115 -3,-0.5 -1,-0.1 1,-0.2 0, 0.0 -0.693 39.1 172.9-125.4 81.5 -2.8 -5.3 18.9 163 221 A E + 0 0 177 -2,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.938 3.2 168.5 -48.8 -75.5 0.6 -6.9 18.5 164 222 A E + 0 0 80 1,-0.2 2,-1.2 2,-0.1 3,-0.2 0.923 3.3 165.2 54.1 56.3 3.2 -4.0 18.7 165 223 A N > + 0 0 80 1,-0.2 4,-2.6 2,-0.1 -1,-0.2 -0.725 9.0 176.5 -98.2 80.2 6.4 -6.0 19.1 166 224 A Y H > S+ 0 0 41 -2,-1.2 4,-3.4 1,-0.2 5,-0.3 0.873 72.9 57.0 -53.5 -42.6 8.5 -2.9 18.2 167 225 A Q H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 111.1 41.5 -56.7 -50.1 11.8 -4.8 18.8 168 226 A L H > S+ 0 0 103 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.937 116.9 49.7 -63.8 -46.2 11.0 -7.5 16.3 169 227 A W H X S+ 0 0 68 -4,-2.6 4,-2.5 2,-0.2 3,-0.4 0.941 115.2 42.0 -57.5 -52.2 9.6 -4.9 13.8 170 228 A F H X S+ 0 0 0 -4,-3.4 4,-1.8 1,-0.2 5,-0.2 0.960 113.8 47.7 -62.5 -57.0 12.6 -2.6 14.0 171 229 A E H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.617 116.2 51.6 -63.0 -9.8 15.4 -5.1 13.9 172 230 A S H >< S+ 0 0 59 -4,-0.7 3,-0.9 -3,-0.4 -2,-0.2 0.900 111.6 37.7 -92.9 -51.6 13.6 -6.7 11.0 173 231 A F H 3< S+ 0 0 32 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.1 0.659 111.8 58.1 -79.7 -14.9 12.9 -3.8 8.6 174 232 A T T >X S+ 0 0 3 -4,-1.8 3,-2.7 -5,-0.2 4,-1.2 0.506 75.1 139.0 -87.6 -7.3 16.2 -2.1 9.1 175 233 A K T <4 S- 0 0 111 -3,-0.9 4,-0.1 1,-0.3 -3,-0.1 -0.141 80.7 -5.6 -40.9 116.3 18.0 -5.3 8.1 176 234 A G T 34 S+ 0 0 60 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.395 121.4 79.5 75.4 -2.2 20.9 -4.2 5.9 177 235 A W T <4 S+ 0 0 128 -3,-2.7 2,-0.3 1,-0.4 -2,-0.2 0.864 103.0 12.5 -96.8 -63.1 20.1 -0.5 5.7 178 236 A I S < S- 0 0 6 -4,-1.2 2,-0.5 17,-0.1 -1,-0.4 -0.870 78.2-126.2-114.6 149.5 21.4 0.8 9.1 179 237 A K - 0 0 127 -2,-0.3 16,-2.0 17,-0.2 2,-0.7 -0.828 15.7-134.2 -99.0 129.7 23.6 -1.1 11.4 180 238 A I E -F 194 0A 66 -2,-0.5 14,-0.3 14,-0.2 3,-0.1 -0.732 22.0-177.4 -83.3 114.8 22.6 -1.5 15.0 181 239 A L E - 0 0 95 12,-2.3 2,-0.3 -2,-0.7 13,-0.2 0.785 63.1 -26.9 -83.2 -30.1 25.6 -0.7 17.2 182 240 A D E -F 193 0A 68 11,-1.5 11,-2.8 2,-0.0 -1,-0.3 -0.953 54.1-160.8-176.4 160.2 24.0 -1.4 20.5 183 241 A S E +F 192 0A 49 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 11.8 173.9-152.1 151.8 20.7 -1.5 22.3 184 242 A K E -F 191 0A 123 7,-1.9 7,-2.9 -2,-0.3 2,-0.7 -0.976 34.9-115.5-162.8 147.8 19.6 -1.4 26.0 185 243 A V E -F 190 0A 85 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.783 31.1-175.7 -86.1 115.8 16.6 -1.2 28.2 186 244 A I E > -F 189 0A 9 3,-3.3 3,-1.0 -2,-0.7 2,-0.3 -0.864 60.3 -59.5-116.5 94.2 16.8 2.1 30.1 187 245 A G T 3 S- 0 0 46 -2,-0.7 -155,-0.1 1,-0.2 -156,-0.0 -0.543 120.7 -13.4 70.9-127.4 13.9 2.1 32.5 188 246 A N T 3 S+ 0 0 60 -157,-0.4 -35,-3.1 -2,-0.3 2,-0.4 0.132 124.5 85.4 -94.1 22.0 10.6 1.9 30.5 189 247 A E E < -EF 152 186A 0 -3,-1.0 -3,-3.3 -37,-0.2 2,-0.7 -0.979 65.4-146.6-132.8 131.3 12.4 2.6 27.3 190 248 A L E -EF 151 185A 15 -39,-3.1 -39,-2.2 -2,-0.4 2,-0.5 -0.847 26.3-160.8 -94.2 114.9 14.2 0.4 24.7 191 249 A V E -EF 150 184A 0 -7,-2.9 -7,-1.9 -2,-0.7 2,-0.4 -0.857 8.3-166.6-106.9 126.8 17.0 2.5 23.3 192 250 A Y E -EF 149 183A 0 -43,-3.2 -43,-2.2 -2,-0.5 2,-0.5 -0.891 6.8-160.9-110.0 138.6 18.8 1.7 20.0 193 251 A I E +EF 148 182A 0 -11,-2.8 -12,-2.3 -2,-0.4 -11,-1.5 -0.983 27.5 168.6-115.1 120.5 22.1 3.3 18.8 194 252 A T E -EF 147 180A 0 -47,-2.3 -47,-1.6 -2,-0.5 -14,-0.2 -0.808 33.6-115.8-130.6 171.9 22.5 2.9 15.1 195 253 A S - 0 0 23 -16,-2.0 -48,-0.2 -2,-0.3 -49,-0.2 0.017 52.0 -72.3 -85.4-158.4 24.6 4.1 12.2 196 254 A G 0 0 3 -51,-0.3 -1,-0.2 1,-0.2 -17,-0.2 -0.205 360.0 360.0-101.1-172.2 23.2 6.0 9.3 197 255 A F 0 0 151 -55,-0.4 -57,-0.2 -53,-0.3 -1,-0.2 0.693 360.0 360.0 59.1 360.0 21.0 6.0 6.1 198 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 199 300 A X 0 0 79 0, 0.0 -140,-0.2 0, 0.0 -141,-0.1 0.000 360.0 360.0 360.0 360.0 9.8 12.9 22.8