==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-JUL-12 4G9Q . COMPND 2 MOLECULE: 4-CARBOXYMUCONOLACTONE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR H.D.HICKEY,B.E.MCGILLICK,S.ESWARAMOORTHY,S.CHAMALA,B.EVANS,R . 238 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 53.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 6.7 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 2 0 0 0 1 4 0 0 0 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 . 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 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 Q 0 0 152 0, 0.0 26,-0.0 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -18.3 18.6 -20.9 67.3 2 11 A Q - 0 0 19 1,-0.0 3,-0.4 30,-0.0 2,-0.1 -0.726 360.0-126.2 -83.8 129.3 17.2 -17.4 67.9 3 12 A P S S+ 0 0 58 0, 0.0 65,-0.1 0, 0.0 4,-0.1 -0.432 81.9 12.7 -75.6 152.0 19.6 -15.2 70.1 4 13 A N > + 0 0 76 -2,-0.1 3,-1.5 1,-0.1 4,-0.2 0.900 65.5 177.8 50.6 57.0 18.4 -13.5 73.3 5 14 A V G > S+ 0 0 58 -3,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.844 76.1 60.8 -54.6 -38.1 15.1 -15.3 73.7 6 15 A E G 3 S+ 0 0 189 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.682 94.9 63.1 -65.9 -20.3 14.3 -13.4 77.0 7 16 A G G < S+ 0 0 33 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.484 80.5 111.0 -84.0 -4.5 14.5 -10.0 75.2 8 17 A R S < S- 0 0 36 -3,-1.5 3,-0.1 -4,-0.2 53,-0.0 -0.385 73.0-130.3 -72.0 147.7 11.4 -10.9 73.0 9 18 A R S S+ 0 0 147 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.947 100.8 31.9 -58.8 -51.6 8.1 -9.1 73.4 10 19 A F S S- 0 0 127 3,-0.0 -1,-0.2 4,-0.0 -2,-0.0 -0.943 88.7-130.7-112.1 131.5 6.3 -12.5 73.5 11 20 A S > - 0 0 43 -2,-0.5 4,-2.5 -3,-0.1 5,-0.2 -0.296 27.7-107.1 -71.3 157.7 8.0 -15.6 75.0 12 21 A P H > S+ 0 0 19 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.886 124.2 55.4 -49.6 -41.3 8.2 -19.0 73.1 13 22 A D H > S+ 0 0 115 2,-0.2 4,-0.8 1,-0.2 10,-0.0 0.901 108.2 47.6 -56.7 -44.8 5.6 -20.2 75.7 14 23 A Q H >4 S+ 0 0 95 -3,-0.2 3,-0.6 2,-0.2 4,-0.3 0.910 112.0 48.3 -65.5 -44.1 3.3 -17.3 74.8 15 24 A V H >X S+ 0 0 29 -4,-2.5 4,-3.2 1,-0.2 3,-1.6 0.913 109.5 54.0 -62.6 -41.4 3.7 -17.9 71.0 16 25 A R H 3< S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.689 95.9 67.8 -66.6 -18.5 3.0 -21.6 71.6 17 26 A S T << S+ 0 0 97 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.589 119.7 18.8 -75.3 -9.7 -0.3 -20.7 73.4 18 27 A V T <4 S+ 0 0 127 -3,-1.6 -2,-0.2 -4,-0.3 -3,-0.1 0.647 142.4 5.4-125.1 -40.9 -1.7 -19.5 70.1 19 28 A A >X + 0 0 32 -4,-3.2 4,-1.5 -5,-0.2 3,-0.7 -0.602 50.9 177.0-156.2 80.8 0.4 -21.0 67.3 20 29 A P H 3> S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.833 86.3 60.7 -60.1 -30.0 3.1 -23.6 68.1 21 30 A A H 3> S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.875 101.7 53.4 -62.5 -36.5 3.8 -24.1 64.4 22 31 A L H <> S+ 0 0 99 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.913 107.6 49.9 -65.1 -42.4 4.7 -20.4 64.2 23 32 A E H X S+ 0 0 7 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.928 111.6 48.6 -61.5 -45.0 7.3 -20.7 67.0 24 33 A Q H X S+ 0 0 106 -4,-2.2 4,-3.1 1,-0.2 5,-0.4 0.924 112.1 48.6 -59.5 -46.9 8.8 -23.7 65.3 25 34 A Y H X>S+ 0 0 116 -4,-2.5 4,-2.2 2,-0.2 5,-2.1 0.873 108.3 55.1 -61.6 -38.7 9.1 -21.9 62.0 26 35 A T H <>S+ 0 0 24 -4,-2.4 5,-3.0 3,-0.2 6,-0.4 0.950 115.9 37.9 -58.6 -49.2 10.6 -18.9 63.7 27 36 A Q H <>S+ 0 0 29 -4,-2.2 5,-1.2 3,-0.2 -2,-0.2 0.960 127.2 31.8 -67.4 -53.5 13.4 -21.0 65.2 28 37 A Q H <5S+ 0 0 109 -4,-3.1 -3,-0.2 3,-0.2 -2,-0.2 0.851 132.8 21.8 -80.3 -37.9 14.0 -23.4 62.3 29 38 A R T X>S+ 0 0 143 -4,-2.2 5,-2.8 -5,-0.4 4,-1.3 0.901 126.8 37.3 -97.2 -57.5 13.3 -21.3 59.2 30 39 A L T 4XS+ 0 0 24 -5,-2.1 5,-2.4 3,-0.2 6,-0.2 0.986 136.2 17.5 -64.9 -58.7 13.6 -17.6 60.1 31 40 A Y T 4X5S+ 0 0 96 -4,-1.3 3,-0.8 -6,-0.1 4,-0.6 0.657 126.6 44.9-125.7 -65.1 17.9 -20.7 57.8 34 43 A V G >4 - 0 0 88 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.151 23.8-105.9 -78.4 170.0 25.7 -10.7 56.7 42 51 A R H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 30,-0.1 0.841 117.7 56.2 -65.6 -35.4 24.0 -10.3 60.1 43 52 A R H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.942 111.6 42.3 -59.0 -50.3 24.9 -6.6 60.3 44 53 A D H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.884 112.1 54.5 -67.0 -39.4 23.2 -5.8 57.0 45 54 A R H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.875 105.9 53.6 -60.6 -37.5 20.3 -8.1 57.9 46 55 A S H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.919 108.9 47.9 -62.9 -43.6 19.9 -6.1 61.1 47 56 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.915 113.2 48.2 -61.2 -44.3 19.7 -2.8 59.1 48 57 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.897 113.2 48.1 -61.3 -42.7 17.2 -4.3 56.7 49 58 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.926 110.9 49.3 -67.9 -46.3 15.1 -5.6 59.6 50 59 A I H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.937 111.6 50.2 -57.7 -46.3 15.1 -2.3 61.5 51 60 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.919 111.3 48.8 -58.8 -44.1 14.1 -0.5 58.3 52 61 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.924 111.7 48.2 -61.1 -47.1 11.2 -2.9 57.7 53 62 A L H <>S+ 0 0 4 -4,-2.6 5,-2.9 2,-0.2 4,-0.3 0.891 114.2 46.9 -63.2 -41.5 9.9 -2.7 61.3 54 63 A I H ><5S+ 0 0 2 -4,-2.6 3,-1.4 -5,-0.2 -2,-0.2 0.965 114.2 46.5 -62.4 -52.6 10.0 1.1 61.2 55 64 A A H 3<5S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.832 113.9 48.4 -60.4 -35.3 8.3 1.4 57.8 56 65 A R T 3<5S- 0 0 91 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.337 113.1-112.9 -92.5 6.2 5.6 -1.1 58.7 57 66 A G T < 5S+ 0 0 41 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.883 76.8 130.7 64.5 40.3 4.7 0.5 62.0 58 67 A E > < + 0 0 68 -5,-2.9 3,-1.4 -6,-0.2 4,-0.3 -0.233 17.7 144.1-113.2 40.8 6.0 -2.4 64.1 59 68 A A G > + 0 0 7 1,-0.3 3,-2.0 -5,-0.2 4,-0.3 0.771 58.0 69.0 -53.7 -34.9 8.0 -0.3 66.4 60 69 A P G > S+ 0 0 71 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.855 94.2 58.0 -53.8 -36.4 7.4 -2.4 69.6 61 70 A A G <> S+ 0 0 31 -3,-1.4 4,-2.4 1,-0.2 3,-0.3 0.621 87.9 82.6 -64.9 -14.8 9.5 -5.2 68.0 62 71 A L H <> S+ 0 0 0 -3,-2.0 4,-3.3 -4,-0.3 5,-0.4 0.744 75.1 66.2 -67.6 -28.7 12.4 -2.7 67.9 63 72 A T H <> S+ 0 0 20 -3,-1.1 4,-1.5 -4,-0.3 -1,-0.2 0.966 113.0 34.3 -57.4 -49.8 13.5 -3.1 71.5 64 73 A Y H > S+ 0 0 11 -4,-0.4 4,-2.4 -3,-0.3 -2,-0.2 0.946 122.6 45.9 -66.8 -49.4 14.6 -6.7 70.7 65 74 A Y H X S+ 0 0 26 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.826 111.5 50.2 -71.8 -31.3 15.7 -6.0 67.1 66 75 A A H X S+ 0 0 0 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.894 111.1 50.5 -70.1 -39.7 17.7 -2.8 67.9 67 76 A D H X S+ 0 0 26 -4,-1.5 4,-2.3 -5,-0.4 -2,-0.2 0.932 111.3 48.4 -59.8 -47.0 19.5 -4.7 70.6 68 77 A Q H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.878 108.2 55.0 -60.6 -39.2 20.2 -7.5 68.2 69 78 A A H <>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 4,-0.3 0.926 108.0 48.3 -60.4 -45.2 21.5 -4.9 65.6 70 79 A L H ><5S+ 0 0 17 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.913 111.4 50.0 -60.6 -44.1 23.9 -3.6 68.2 71 80 A E H 3<5S+ 0 0 123 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 108.2 54.9 -60.0 -36.9 25.1 -7.1 69.0 72 81 A N T 3<5S- 0 0 19 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.431 127.9 -97.8 -79.9 -1.0 25.5 -7.7 65.2 73 82 A G T < 5S+ 0 0 47 -3,-1.3 2,-0.4 1,-0.4 -3,-0.2 0.543 73.0 145.0 97.9 8.6 27.8 -4.6 64.9 74 83 A V < - 0 0 3 -5,-2.6 -1,-0.4 -6,-0.2 -2,-0.1 -0.666 51.7-122.2 -70.8 130.2 25.4 -1.9 63.7 75 84 A K >> - 0 0 128 -2,-0.4 4,-1.9 1,-0.1 3,-0.7 -0.471 10.6-121.4 -74.2 147.3 26.6 1.3 65.4 76 85 A P H 3> S+ 0 0 18 0, 0.0 4,-2.8 0, 0.0 41,-0.3 0.891 116.6 56.1 -50.5 -39.6 24.3 3.3 67.7 77 86 A S H 3> S+ 0 0 27 38,-0.3 4,-2.2 39,-0.2 40,-0.2 0.812 104.6 52.0 -64.9 -31.4 24.9 6.2 65.3 78 87 A E H <> S+ 0 0 18 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.877 111.0 46.0 -73.0 -38.9 23.7 4.1 62.3 79 88 A I H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.940 113.0 51.7 -64.7 -47.5 20.5 3.2 64.1 80 89 A S H X S+ 0 0 24 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.914 112.4 45.3 -51.8 -48.4 20.1 6.8 65.0 81 90 A E H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.831 106.8 58.5 -71.0 -32.0 20.6 7.9 61.4 82 91 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.920 106.2 49.9 -62.0 -43.2 18.2 5.2 60.1 83 92 A I H X S+ 0 0 29 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.937 113.1 45.7 -59.2 -48.5 15.4 6.6 62.2 84 93 A T H X S+ 0 0 53 -4,-1.8 4,-0.9 1,-0.2 3,-0.4 0.909 112.8 50.6 -63.1 -43.2 16.1 10.2 60.9 85 94 A H H >X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 3,-0.7 0.912 110.1 49.6 -60.1 -44.0 16.3 9.0 57.3 86 95 A L H 3X>S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-1.6 0.642 93.7 73.0 -77.9 -12.8 13.0 7.1 57.6 87 96 A A H 3<5S+ 0 0 9 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.915 109.8 35.2 -57.0 -41.2 11.3 10.2 59.1 88 97 A Y H <<5S+ 0 0 86 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.880 127.2 36.4 -79.4 -40.8 11.5 11.5 55.5 89 98 A Y H <5S+ 0 0 42 -4,-1.7 -3,-0.2 2,-0.1 -2,-0.2 0.786 132.4 23.6 -90.2 -29.0 11.0 8.2 53.6 90 99 A S T <5S- 0 0 35 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.1 0.694 120.3 -91.4-104.4 -29.3 8.5 6.4 55.8 91 100 A G >< - 0 0 27 -5,-1.6 4,-1.7 -4,-0.1 3,-0.4 -0.279 29.6 -90.6 124.9 149.4 6.9 9.4 57.5 92 101 A W H > S+ 0 0 154 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.868 121.8 52.3 -59.0 -41.9 7.4 11.4 60.6 93 102 A G H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.835 106.3 53.8 -65.0 -35.8 5.0 9.4 62.8 94 103 A K H 4 S+ 0 0 87 -3,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.891 112.9 43.8 -65.3 -41.1 6.8 6.1 61.8 95 104 A A H >< S+ 0 0 7 -4,-1.7 3,-1.3 -9,-0.2 4,-0.4 0.919 111.8 53.3 -68.2 -43.3 10.1 7.5 63.0 96 105 A X H >< S+ 0 0 117 -4,-2.7 3,-1.5 1,-0.3 4,-0.4 0.850 99.1 63.5 -62.2 -34.3 8.6 9.0 66.1 97 106 A A T 3< S+ 0 0 50 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.734 94.7 62.4 -61.8 -23.0 7.1 5.7 67.1 98 107 A T T <> S+ 0 0 0 -3,-1.3 4,-2.9 -4,-0.5 5,-0.4 0.667 80.7 84.9 -75.3 -18.4 10.7 4.3 67.4 99 108 A V H <> S+ 0 0 76 -3,-1.5 4,-2.2 -4,-0.4 5,-0.2 0.914 91.8 41.8 -57.6 -51.7 11.7 6.7 70.2 100 109 A G H > S+ 0 0 44 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.962 119.8 41.3 -58.5 -58.7 10.3 4.6 73.1 101 110 A P H > S+ 0 0 18 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.895 119.5 43.5 -59.6 -44.2 11.4 1.1 72.0 102 111 A V H X S+ 0 0 6 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.874 110.0 55.6 -73.6 -36.5 14.9 2.2 70.7 103 112 A S H X S+ 0 0 64 -4,-2.2 4,-2.7 -5,-0.4 -1,-0.2 0.885 108.2 50.4 -60.2 -37.9 15.6 4.4 73.8 104 113 A E H X S+ 0 0 89 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.921 109.9 49.4 -64.4 -45.0 14.9 1.4 76.0 105 114 A A H X S+ 0 0 2 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.911 114.3 45.7 -59.4 -44.3 17.4 -0.7 73.9 106 115 A F H <>S+ 0 0 23 -4,-2.7 5,-2.8 1,-0.2 3,-0.4 0.902 110.3 53.1 -65.6 -44.4 20.0 2.1 74.2 107 116 A A H ><5S+ 0 0 75 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.900 106.0 53.1 -59.3 -43.3 19.4 2.5 77.9 108 117 A K H 3<5S+ 0 0 145 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.791 113.3 44.1 -62.3 -30.0 19.9 -1.2 78.6 109 118 A R T 3<5S- 0 0 91 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.369 114.4-114.7 -96.2 0.5 23.3 -1.1 76.8 110 119 A G T < 5 + 0 0 60 -3,-1.2 2,-0.9 -4,-0.4 -3,-0.2 0.816 55.5 164.6 67.1 33.1 24.5 2.1 78.4 111 120 A I < - 0 0 32 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.734 18.2-163.9 -86.0 106.1 24.4 4.0 75.0 112 121 A G > - 0 0 32 -2,-0.9 3,-1.7 -3,-0.1 4,-0.1 -0.281 35.3 -98.5 -84.6 174.4 24.5 7.7 75.8 113 122 A Q G > S+ 0 0 175 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.708 115.5 73.4 -65.8 -21.7 23.7 10.6 73.5 114 123 A D G 3 S+ 0 0 146 1,-0.2 -1,-0.3 4,-0.0 -3,-0.0 0.650 94.0 54.5 -67.1 -13.9 27.4 11.1 72.7 115 124 A Q G < S+ 0 0 81 -3,-1.7 -38,-0.3 2,-0.1 -1,-0.2 0.420 90.6 102.0 -97.9 -1.0 27.2 8.0 70.5 116 125 A L S < S- 0 0 57 -3,-1.4 -39,-0.2 1,-0.2 3,-0.1 -0.234 85.3 -76.9 -85.7 169.5 24.3 9.1 68.3 117 126 A A - 0 0 16 -41,-0.3 -1,-0.2 -40,-0.2 2,-0.1 -0.390 59.4-100.8 -64.4 141.5 24.3 10.6 64.8 118 127 A A - 0 0 36 1,-0.1 3,-0.2 -3,-0.1 48,-0.1 -0.358 14.1-139.3 -68.2 139.8 25.4 14.2 64.7 119 128 A V S S+ 0 0 140 1,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.950 93.9 3.5 -57.9 -50.5 22.8 17.0 64.4 120 129 A E S S+ 0 0 178 44,-0.0 -1,-0.3 3,-0.0 2,-0.3 -0.990 80.7 147.9-139.7 130.0 25.1 18.7 61.9 121 130 A S - 0 0 52 -2,-0.4 45,-0.0 -3,-0.2 0, 0.0 -0.914 55.1 -54.1-148.2 179.3 28.4 17.5 60.5 122 131 A T - 0 0 119 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.361 60.9-125.2 -62.2 121.9 30.6 17.7 57.4 123 132 A P - 0 0 85 0, 0.0 41,-0.2 0, 0.0 -1,-0.1 -0.272 20.1-109.8 -67.0 153.2 28.6 16.6 54.3 124 133 A L - 0 0 51 39,-3.1 2,-0.0 1,-0.1 39,-0.0 -0.392 53.5 -76.6 -68.7 158.4 29.7 13.8 52.0 125 134 A P - 0 0 125 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.349 46.8-136.7 -61.4 137.0 30.8 14.9 48.5 126 135 A L - 0 0 45 -3,-0.1 2,-1.4 33,-0.0 3,-0.1 -0.843 9.2-132.2 -97.9 131.4 28.0 15.7 46.1 127 136 A D > - 0 0 108 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 -0.710 28.6-169.9 -77.0 92.5 28.0 14.5 42.5 128 137 A E H > S+ 0 0 110 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.804 77.9 49.8 -61.9 -35.8 27.1 17.9 41.2 129 138 A E H > S+ 0 0 157 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 112.1 46.5 -71.0 -44.9 26.5 16.8 37.6 130 139 A A H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.833 114.8 49.2 -65.0 -33.4 24.2 13.9 38.6 131 140 A E H X S+ 0 0 15 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.876 107.8 52.5 -72.3 -40.2 22.4 16.3 41.0 132 141 A A H X S+ 0 0 55 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.890 113.0 46.5 -60.1 -39.3 22.0 19.0 38.3 133 142 A Q H X S+ 0 0 130 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.905 112.7 48.5 -68.1 -45.9 20.4 16.3 36.1 134 143 A R H X S+ 0 0 29 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.936 113.2 47.0 -60.1 -50.4 18.2 15.0 38.8 135 144 A A H X S+ 0 0 32 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.889 111.9 50.8 -60.5 -42.9 16.9 18.5 39.8 136 145 A T H X S+ 0 0 75 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.923 110.0 49.8 -61.2 -46.2 16.3 19.4 36.1 137 146 A T H X S+ 0 0 77 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.951 116.5 40.4 -58.0 -53.5 14.3 16.2 35.5 138 147 A V H X S+ 0 0 36 -4,-2.2 4,-3.1 1,-0.2 5,-0.5 0.908 115.5 51.2 -63.2 -45.4 12.0 16.7 38.5 139 148 A G H X S+ 0 0 30 -4,-2.7 4,-1.6 1,-0.2 5,-0.3 0.882 110.3 49.3 -61.2 -42.0 11.7 20.5 38.0 140 149 A N H < S+ 0 0 136 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.813 119.2 38.4 -65.1 -32.8 10.7 20.1 34.4 141 150 A Q H < S+ 0 0 126 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.882 137.7 7.6 -87.7 -42.5 8.0 17.4 35.3 142 151 A F H >X S+ 0 0 102 -4,-3.1 4,-2.4 -5,-0.2 3,-1.0 0.340 88.6 110.2-129.0 4.1 6.5 18.7 38.5 143 152 A G T 3< S+ 0 0 24 -4,-1.6 -3,-0.1 -5,-0.5 8,-0.1 0.815 92.7 35.3 -54.2 -36.7 8.0 22.2 39.2 144 153 A S T 34 S+ 0 0 119 -5,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.485 113.5 60.8 -97.1 -4.6 4.6 23.9 38.5 145 154 A V T <4 S- 0 0 106 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.1 0.913 131.6 -4.6 -83.4 -52.4 2.6 21.0 40.1 146 155 A A X + 0 0 38 -4,-2.4 4,-2.3 1,-0.1 3,-0.3 -0.600 68.8 173.5-142.2 77.1 4.0 21.2 43.6 147 156 A P H > S+ 0 0 82 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.851 80.4 54.3 -57.4 -38.4 6.8 23.8 43.7 148 157 A G H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.913 110.1 45.4 -59.8 -46.3 7.2 23.5 47.5 149 158 A L H > S+ 0 0 116 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.898 111.5 52.4 -67.1 -41.0 7.7 19.8 47.4 150 159 A V H X S+ 0 0 23 -4,-2.3 4,-1.8 -8,-0.2 -2,-0.2 0.939 111.9 46.7 -59.8 -45.9 10.2 20.0 44.5 151 160 A Q H X S+ 0 0 105 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.904 112.3 49.2 -63.5 -43.6 12.2 22.6 46.4 152 161 A Y H X>S+ 0 0 123 -4,-2.4 4,-2.8 2,-0.2 5,-1.2 0.882 105.6 58.1 -62.8 -39.5 12.2 20.5 49.6 153 162 A T H X>S+ 0 0 30 -4,-2.6 5,-2.3 3,-0.2 4,-0.7 0.938 114.6 38.1 -54.9 -47.5 13.3 17.4 47.6 154 163 A T H <>S+ 0 0 22 -4,-1.8 5,-2.2 3,-0.2 -2,-0.2 0.969 125.4 35.7 -64.9 -56.7 16.4 19.3 46.5 155 164 A D H <5S+ 0 0 77 -4,-3.0 -3,-0.2 3,-0.2 -2,-0.2 0.887 127.4 31.1 -72.7 -44.4 17.1 21.2 49.7 156 165 A Y H <>S+ 0 0 111 -4,-2.8 5,-2.3 -5,-0.2 -3,-0.2 0.844 131.4 24.1 -85.5 -37.8 16.1 18.7 52.5 157 166 A L T >5S+ 0 0 74 -3,-0.8 3,-1.7 -6,-0.2 4,-0.8 0.277 123.4 44.9-143.4 -77.2 21.3 17.4 52.9 161 170 A L G >4 - 0 0 43 -2,-0.4 4,-2.6 1,-0.1 3,-0.5 -0.420 33.2-109.5 -59.9 146.1 27.5 5.4 54.4 169 178 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.873 120.3 53.9 -49.5 -42.9 25.8 6.0 51.0 170 179 A R H > S+ 0 0 44 29,-0.3 4,-2.0 1,-0.2 29,-0.1 0.901 112.2 43.7 -56.1 -45.3 25.5 2.2 50.5 171 180 A D H > S+ 0 0 10 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.837 111.2 53.1 -73.0 -35.7 23.8 1.7 53.9 172 181 A R H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.905 112.3 46.0 -65.0 -40.6 21.5 4.7 53.4 173 182 A S H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.889 110.2 55.4 -66.0 -40.1 20.4 3.2 50.1 174 183 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.938 109.9 44.0 -57.0 -50.9 20.1 -0.2 51.8 175 184 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.873 113.5 53.1 -64.9 -35.6 17.7 1.1 54.4 176 185 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.953 110.1 45.0 -64.3 -51.0 15.8 3.1 51.7 177 186 A I H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.905 113.8 51.9 -62.4 -36.5 15.2 0.0 49.5 178 187 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.933 110.7 46.7 -63.2 -46.1 14.2 -2.0 52.6 179 188 A A H X S+ 0 0 3 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.873 114.2 48.1 -63.5 -39.4 11.7 0.6 53.7 180 189 A L H ><>S+ 0 0 5 -4,-2.3 5,-2.6 1,-0.2 3,-0.9 0.930 113.1 45.7 -67.4 -49.1 10.2 0.9 50.2 181 190 A I H ><5S+ 0 0 6 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.893 105.5 63.6 -59.8 -39.3 9.9 -2.9 49.6 182 191 A S H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.667 112.9 32.4 -64.9 -20.2 8.4 -3.3 53.1 183 192 A V T <<5S- 0 0 57 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.164 115.7-107.3-122.1 13.8 5.3 -1.2 52.2 184 193 A G T < 5 + 0 0 27 -3,-1.5 2,-2.1 -4,-0.2 3,-0.2 0.705 61.5 155.3 72.2 24.4 5.1 -2.1 48.5 185 194 A Q > < + 0 0 82 -5,-2.6 3,-1.2 1,-0.2 4,-0.4 -0.428 6.0 157.3 -83.7 66.9 6.3 1.2 47.2 186 195 A V G >> + 0 0 55 -2,-2.1 3,-0.7 1,-0.2 4,-0.6 0.711 58.1 73.6 -65.5 -23.7 7.5 -0.3 43.9 187 196 A E G 34 S+ 0 0 175 1,-0.2 4,-0.3 -3,-0.2 -1,-0.2 0.794 103.4 39.4 -61.6 -29.3 7.3 3.0 42.0 188 197 A Q G <> S+ 0 0 85 -3,-1.2 4,-1.7 1,-0.1 -1,-0.2 0.469 93.2 85.2-103.4 -4.3 10.4 4.3 43.8 189 198 A I H <> S+ 0 0 5 -3,-0.7 4,-3.2 -4,-0.4 5,-0.4 0.865 81.0 61.7 -68.4 -37.5 12.5 1.1 43.8 190 199 A T H X S+ 0 0 68 -4,-0.6 4,-2.1 1,-0.2 5,-0.2 0.958 109.2 41.1 -54.2 -54.8 14.0 1.6 40.3 191 200 A F H > S+ 0 0 94 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.937 120.5 42.6 -57.6 -49.9 15.7 4.9 41.3 192 201 A H H X S+ 0 0 8 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.794 112.0 51.7 -76.9 -27.7 16.9 3.7 44.7 193 202 A L H X S+ 0 0 7 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.910 110.7 49.5 -71.4 -42.5 18.0 0.2 43.7 194 203 A N H X S+ 0 0 40 -4,-2.1 4,-2.9 -5,-0.4 -2,-0.2 0.934 112.1 49.3 -56.3 -45.3 20.1 1.7 40.9 195 204 A K H X S+ 0 0 56 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.900 110.2 50.5 -61.6 -42.2 21.5 4.1 43.5 196 205 A A H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 4,-0.3 0.904 112.6 45.9 -61.5 -44.4 22.3 1.2 45.9 197 206 A L H ><5S+ 0 0 15 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.917 112.6 50.4 -67.1 -42.9 24.1 -0.7 43.2 198 207 A D H 3<5S+ 0 0 111 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.861 109.1 54.1 -56.7 -38.7 26.0 2.4 42.2 199 208 A N T 3<5S- 0 0 55 -4,-2.2 -29,-0.3 -5,-0.2 -1,-0.2 0.474 131.5 -89.8 -80.5 -4.3 26.9 2.8 45.9 200 209 A G T < 5S+ 0 0 52 -3,-1.2 2,-0.2 1,-0.4 -3,-0.2 0.403 77.2 139.1 115.9 -2.6 28.3 -0.7 46.2 201 210 A L < - 0 0 4 -5,-2.6 -1,-0.4 -6,-0.1 2,-0.1 -0.560 50.6-128.0 -68.8 133.9 25.5 -3.1 47.1 202 211 A S > - 0 0 42 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.459 13.1-117.2 -82.4 159.9 25.9 -6.3 45.1 203 212 A E H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.879 117.5 50.2 -61.5 -38.7 23.1 -7.8 43.0 204 213 A E H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 109.0 52.0 -68.4 -36.6 23.2 -11.0 45.2 205 214 A Q H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.928 109.3 50.2 -60.9 -44.7 23.0 -8.8 48.3 206 215 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.882 109.1 51.5 -61.0 -39.6 20.0 -7.0 46.8 207 216 A A H X S+ 0 0 40 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.883 109.5 50.2 -64.0 -38.4 18.4 -10.5 46.1 208 217 A E H X S+ 0 0 17 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.847 106.9 55.2 -67.5 -35.4 19.1 -11.4 49.8 209 218 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.951 110.4 44.8 -60.2 -50.2 17.4 -8.2 50.9 210 219 A I H X S+ 0 0 13 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.906 114.7 49.7 -59.8 -42.9 14.2 -9.0 48.9 211 220 A T H >X S+ 0 0 56 -4,-2.2 4,-0.7 2,-0.2 3,-0.6 0.921 110.2 49.2 -64.2 -45.2 14.4 -12.6 50.3 212 221 A H H >X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 3,-1.0 0.907 109.2 54.1 -58.5 -42.2 14.8 -11.5 53.9 213 222 A L H 3X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.3 5,-0.4 0.665 90.1 73.5 -73.0 -18.5 11.9 -9.1 53.5 214 223 A A H S+ 0 0 138 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.888 120.8 57.4 -55.2 -47.5 5.6 -12.7 50.5 220 229 A P H > S+ 0 0 83 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.881 105.2 51.5 -57.5 -38.4 3.5 -10.4 48.2 221 230 A N H > S+ 0 0 35 -3,-0.4 4,-1.1 -4,-0.3 -2,-0.2 0.929 113.6 43.9 -62.1 -45.3 5.7 -7.4 49.0 222 231 A A H >X S+ 0 0 7 -4,-1.6 4,-0.9 1,-0.2 3,-0.5 0.927 113.9 51.1 -63.1 -44.1 8.9 -9.4 48.1 223 232 A X H >< S+ 0 0 96 -4,-3.2 3,-0.6 1,-0.2 -2,-0.2 0.880 105.9 55.0 -61.0 -39.3 7.2 -10.8 45.0 224 233 A S H 3X S+ 0 0 63 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.785 104.6 55.0 -65.9 -27.7 6.2 -7.3 43.8 225 234 A A H S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.868 114.4 50.7 -65.4 -31.6 10.1 -7.6 38.3 228 237 A V H X S+ 0 0 23 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.947 113.1 44.8 -65.8 -49.8 11.5 -4.2 39.3 229 238 A A H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.909 112.3 52.7 -58.9 -44.6 14.8 -5.8 40.4 230 239 A K H X S+ 0 0 131 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.915 109.5 48.6 -56.9 -46.5 14.9 -7.9 37.3 231 240 A A H X S+ 0 0 54 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.891 112.0 49.2 -63.5 -41.3 14.4 -4.9 35.0 232 241 A V H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.946 111.6 48.1 -62.5 -49.9 17.2 -3.0 36.9 233 242 A F H X S+ 0 0 40 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.905 114.7 46.4 -59.2 -42.0 19.7 -5.9 36.6 234 243 A E H >< S+ 0 0 116 -4,-2.4 3,-0.8 -5,-0.2 4,-0.5 0.886 109.8 53.4 -69.0 -39.2 18.9 -6.3 32.9 235 244 A K H >< S+ 0 0 173 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.861 103.5 56.4 -64.7 -37.0 19.2 -2.6 32.2 236 245 A R H 3< S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.688 102.0 58.8 -67.8 -18.1 22.6 -2.3 33.8 237 246 A R T << 0 0 164 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.590 360.0 360.0 -87.0 -13.5 23.8 -5.1 31.4 238 247 A G < 0 0 110 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.510 360.0 360.0 -77.3 360.0 22.9 -2.9 28.4