==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-FEB-11 3QPZ . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR T.M.ALLISON,G.B.JAMESON,E.J.PARKER,F.C.COCHRANE . 1009 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 734 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 154 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.8 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 70 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.5 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 4 1 0 3 2 6 5 1 0 2 0 3 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 13 8 7 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 4 4 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 . 8 0 0 0 0 0 0 4 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 91 0, 0.0 11,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 124.4 15.6 35.8 51.4 2 2 A D - 0 0 92 9,-0.1 2,-0.4 189,-0.1 9,-0.2 -0.574 360.0-148.7 -89.5 155.7 12.0 35.7 50.3 3 3 A I E -A 10 0A 7 7,-2.8 7,-2.9 -2,-0.2 2,-0.5 -0.995 8.5-141.6-124.0 130.3 10.6 34.4 47.0 4 4 A K E -A 9 0A 110 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.790 16.6-178.7 -88.9 125.4 7.5 35.8 45.3 5 5 A I E > -A 8 0A 6 3,-2.9 3,-2.2 -2,-0.5 2,-0.3 -0.886 67.8 -63.4-122.4 95.1 5.4 33.2 43.5 6 6 A N T 3 S- 0 0 96 -2,-0.5 81,-0.1 1,-0.3 -1,-0.0 -0.480 118.8 -16.5 58.5-119.8 2.5 35.3 42.1 7 7 A D T 3 S+ 0 0 162 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.424 119.4 99.7 -92.6 1.2 0.7 36.8 45.1 8 8 A I E < -A 5 0A 21 -3,-2.2 -3,-2.9 41,-0.0 2,-0.6 -0.756 61.1-153.2 -89.5 130.1 2.3 34.3 47.5 9 9 A T E -A 4 0A 58 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.935 13.0-165.6 -99.1 116.7 5.3 35.4 49.6 10 10 A L E +A 3 0A 0 -7,-2.9 -7,-2.8 -2,-0.6 2,-0.3 -0.909 29.4 124.3-104.4 121.8 7.5 32.3 50.4 11 11 A G > - 0 0 0 -2,-0.5 3,-2.0 211,-0.3 -9,-0.1 -0.969 68.2-101.7-172.8 160.3 10.1 32.8 53.1 12 12 A N T 3 S+ 0 0 6 178,-0.4 4,-0.1 1,-0.3 179,-0.1 0.617 121.8 39.3 -69.2 -13.6 11.4 31.5 56.5 13 13 A N T 3 S+ 0 0 83 2,-0.1 -1,-0.3 209,-0.0 209,-0.1 0.155 102.1 88.6-118.4 21.7 9.8 34.3 58.4 14 14 A S S < S- 0 0 15 -3,-2.0 3,-0.1 1,-0.1 -3,-0.1 -0.731 95.8 -75.4-107.1 160.7 6.5 34.4 56.4 15 15 A P - 0 0 81 0, 0.0 -4,-0.3 0, 0.0 -1,-0.1 -0.275 67.3 -92.9 -52.1 139.8 3.4 32.4 57.0 16 16 A F - 0 0 4 226,-0.1 2,-0.4 -6,-0.1 207,-0.3 -0.270 34.0-140.8 -66.4 143.6 3.9 28.8 55.8 17 17 A V E -b 223 0B 0 205,-2.0 207,-2.3 30,-0.1 2,-0.6 -0.863 11.9-135.2-101.4 132.5 3.0 27.8 52.3 18 18 A L E -bc 224 49B 0 30,-2.4 32,-2.7 -2,-0.4 2,-0.8 -0.807 11.5-165.6 -88.5 122.9 1.5 24.4 51.7 19 19 A F E +bc 225 50B 0 205,-3.4 207,-2.6 -2,-0.6 2,-0.4 -0.920 36.0 156.9-104.0 101.2 2.9 22.5 48.7 20 20 A G E +bc 226 51B 0 30,-1.9 32,-1.9 -2,-0.8 2,-0.3 -0.957 5.6 87.1-137.5 145.0 0.2 19.9 48.5 21 21 A G E -bc 227 52B 0 205,-1.0 207,-2.2 -2,-0.4 2,-0.3 -0.859 63.8 -37.2 173.9-125.7 -1.3 17.5 46.0 22 22 A I E - 0 0 17 30,-2.0 32,-0.4 -2,-0.3 3,-0.1 -0.813 40.7-111.5-133.8 161.5 -0.8 14.0 44.7 23 23 A N E S- 0 0 75 205,-0.3 31,-0.9 -2,-0.3 2,-0.3 0.968 94.8 -6.7 -54.4 -60.8 1.9 11.5 43.8 24 24 A V E S- c 0 54B 5 29,-0.2 2,-0.5 31,-0.1 -1,-0.2 -0.973 73.2-101.4-144.5 148.9 1.2 11.5 40.0 25 25 A L + 0 0 0 29,-2.8 44,-1.9 -2,-0.3 45,-0.2 -0.637 40.3 165.0 -71.7 120.0 -1.3 12.9 37.5 26 26 A E - 0 0 101 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.773 64.4 -17.9 -98.0 -48.1 -3.8 10.1 36.5 27 27 A S > - 0 0 52 1,-0.1 4,-1.8 47,-0.0 -1,-0.4 -0.982 59.7-109.9-159.0 157.7 -6.5 12.1 34.8 28 28 A L H > S+ 0 0 70 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.916 112.2 51.5 -58.3 -47.1 -7.8 15.7 34.5 29 29 A D H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.936 113.4 41.1 -63.3 -52.2 -11.0 15.1 36.4 30 30 A S H > S+ 0 0 32 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.852 114.7 54.3 -64.7 -35.5 -9.5 13.5 39.5 31 31 A T H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.956 112.4 42.5 -60.0 -50.7 -6.7 16.0 39.4 32 32 A L H X S+ 0 0 28 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.875 114.4 53.6 -63.1 -36.1 -9.2 18.9 39.4 33 33 A Q H X S+ 0 0 141 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.938 113.2 40.5 -62.5 -50.8 -11.2 17.0 42.1 34 34 A T H X S+ 0 0 38 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.933 115.7 51.0 -66.2 -45.0 -8.2 16.6 44.4 35 35 A C H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.862 104.6 58.2 -60.7 -37.8 -7.0 20.2 43.7 36 36 A A H X S+ 0 0 39 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.920 105.5 50.0 -57.8 -46.2 -10.5 21.6 44.5 37 37 A H H X S+ 0 0 55 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.892 111.1 47.4 -60.8 -45.8 -10.4 20.0 48.0 38 38 A Y H X S+ 0 0 2 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.913 113.9 48.6 -61.2 -44.3 -6.9 21.5 48.8 39 39 A V H X S+ 0 0 15 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.932 113.1 47.3 -60.6 -47.7 -8.0 24.8 47.5 40 40 A E H X S+ 0 0 78 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.925 116.6 42.7 -60.3 -49.3 -11.3 24.7 49.6 41 41 A V H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.939 117.8 45.3 -63.9 -50.4 -9.5 23.6 52.8 42 42 A T H X>S+ 0 0 6 -4,-2.9 5,-2.6 -5,-0.2 4,-1.1 0.860 112.8 50.5 -63.5 -38.4 -6.6 26.0 52.4 43 43 A R H ><5S+ 0 0 195 -4,-2.6 3,-0.6 -5,-0.3 -1,-0.2 0.959 112.1 46.2 -64.5 -47.9 -8.8 29.0 51.5 44 44 A K H 3<5S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.762 117.7 44.1 -70.3 -23.2 -11.1 28.5 54.5 45 45 A L H 3<5S- 0 0 38 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.584 111.7-121.1 -91.5 -13.0 -8.1 28.1 56.8 46 46 A G T <<5 + 0 0 55 -4,-1.1 -3,-0.2 -3,-0.6 -4,-0.1 0.816 60.8 143.6 76.4 35.9 -6.3 31.0 55.2 47 47 A I < - 0 0 10 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.911 53.0-118.3-110.3 125.6 -3.1 29.1 54.1 48 48 A P - 0 0 43 0, 0.0 -30,-2.4 0, 0.0 2,-0.4 -0.271 38.0-157.0 -58.6 148.2 -1.2 29.9 50.9 49 49 A Y E -c 18 0B 10 -32,-0.2 2,-0.4 -30,-0.1 -30,-0.2 -0.994 24.6-175.1-143.2 131.5 -1.3 26.9 48.5 50 50 A I E -c 19 0B 0 -32,-2.7 -30,-1.9 -2,-0.4 2,-0.4 -0.995 30.7-128.6-123.3 123.6 0.8 25.5 45.6 51 51 A F E -cd 20 89B 0 37,-1.9 39,-2.2 -2,-0.4 2,-0.4 -0.588 24.7-158.3 -80.4 129.5 -0.6 22.4 43.9 52 52 A K E +cd 21 90B 4 -32,-1.9 -30,-2.0 -2,-0.4 2,-0.3 -0.896 23.4 143.6-112.2 134.7 1.9 19.6 43.5 53 53 A A E - 0 0 0 37,-1.9 2,-0.4 -2,-0.4 39,-0.3 -0.968 38.0-129.7-158.4 151.7 1.9 16.7 41.1 54 54 A S E -c 24 0B 1 -31,-0.9 -29,-2.8 -32,-0.4 3,-0.1 -0.841 4.9-160.0 -95.7 140.3 4.3 14.6 39.1 55 55 A F S S+ 0 0 1 -2,-0.4 15,-2.5 37,-0.4 2,-0.3 0.704 83.0 27.7 -85.8 -22.1 3.6 14.1 35.4 56 56 A D - 0 0 17 36,-0.2 2,-0.9 13,-0.1 -1,-0.3 -0.999 61.5-148.6-142.5 135.5 5.9 11.0 35.4 57 57 A K > + 0 0 40 10,-1.9 3,-0.7 -2,-0.3 -33,-0.0 -0.842 26.8 177.7 -97.5 93.5 7.0 8.4 38.0 58 58 A A T 3 + 0 0 12 -2,-0.9 570,-2.3 1,-0.2 571,-0.5 0.543 68.1 45.0 -79.5 -10.6 10.4 7.8 36.5 59 59 A A T 3 S+ 0 0 37 568,-0.2 -1,-0.2 569,-0.1 568,-0.1 -0.193 72.2 149.3-134.2 44.4 11.7 5.3 39.1 60 60 A R < - 0 0 104 -3,-0.7 7,-0.0 2,-0.1 568,-0.0 -0.139 56.0-109.9 -72.4 173.7 9.0 2.8 39.8 61 61 A S S S+ 0 0 89 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.678 99.4 41.4 -85.7 -21.4 9.8 -0.8 40.9 62 62 A S S S- 0 0 28 1,-0.1 -2,-0.1 4,-0.1 566,-0.1 -0.957 75.1-132.8-124.3 147.8 8.6 -2.5 37.6 63 63 A I S S+ 0 0 28 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.770 110.6 43.6 -67.2 -23.5 9.2 -1.4 34.1 64 64 A H S S+ 0 0 148 2,-0.1 -1,-0.2 -3,-0.0 3,-0.2 0.704 85.6 110.0 -95.9 -25.4 5.5 -2.0 33.4 65 65 A S S S- 0 0 30 1,-0.1 2,-0.1 2,-0.1 -5,-0.1 -0.098 86.1 -76.3 -54.1 155.7 3.9 -0.5 36.6 66 66 A Y - 0 0 105 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.312 43.8-179.3 -67.6 128.6 1.9 2.7 36.0 67 67 A R - 0 0 45 1,-0.3 -10,-1.9 -3,-0.2 3,-0.3 0.379 43.3-108.7-107.9 2.6 3.9 5.9 35.5 68 68 A G - 0 0 16 -12,-0.2 -1,-0.3 1,-0.2 -42,-0.2 -0.399 52.2 -48.9 95.8-175.7 1.2 8.6 35.1 69 69 A V S S- 0 0 44 -44,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.693 78.4-129.3 -72.8 -22.4 -0.0 10.6 32.1 70 70 A G > - 0 0 21 -15,-2.5 4,-2.7 -3,-0.3 -1,-0.2 -0.189 33.2 -62.1 91.2 174.2 3.4 11.8 30.9 71 71 A L H > S+ 0 0 47 2,-0.2 4,-3.1 3,-0.2 5,-0.2 0.913 125.4 48.0 -67.3 -50.7 4.7 15.2 30.0 72 72 A E H > S+ 0 0 69 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.960 123.4 32.8 -58.3 -56.2 2.5 16.3 27.0 73 73 A E H > S+ 0 0 44 -4,-0.4 4,-2.0 1,-0.2 3,-0.3 0.929 116.3 60.7 -65.2 -44.5 -0.8 15.3 28.7 74 74 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.907 104.0 47.6 -44.5 -53.0 0.7 16.3 32.1 75 75 A L H X S+ 0 0 15 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.828 106.8 57.9 -65.5 -33.3 1.3 19.9 31.0 76 76 A K H X S+ 0 0 137 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.924 107.3 47.9 -57.6 -47.2 -2.2 20.1 29.6 77 77 A I H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.927 111.2 49.7 -62.3 -47.7 -3.6 19.2 33.0 78 78 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.907 107.3 55.3 -56.1 -44.8 -1.4 21.8 34.8 79 79 A E H X S+ 0 0 100 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.934 111.4 44.7 -53.7 -45.5 -2.6 24.4 32.3 80 80 A K H X S+ 0 0 32 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.823 110.0 54.1 -68.1 -36.3 -6.2 23.7 33.3 81 81 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.4 0.909 111.2 45.6 -62.9 -43.9 -5.4 23.6 37.0 82 82 A K H X S+ 0 0 64 -4,-2.6 4,-1.4 3,-0.2 -2,-0.2 0.843 115.3 49.2 -67.9 -34.0 -3.9 27.1 36.7 83 83 A A H < S+ 0 0 83 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.973 116.8 38.2 -67.7 -56.3 -6.9 28.2 34.6 84 84 A E H < S+ 0 0 117 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.920 132.4 23.6 -62.2 -45.2 -9.6 26.9 36.9 85 85 A F H < S- 0 0 40 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.673 85.1-137.7-104.9 -20.2 -8.0 27.7 40.3 86 86 A G < + 0 0 64 -4,-1.4 -4,-0.2 -5,-0.4 -3,-0.1 0.854 59.3 131.3 63.0 36.1 -5.5 30.6 39.6 87 87 A I - 0 0 23 -6,-0.4 -1,-0.2 -81,-0.1 -37,-0.1 -0.748 61.5-105.9-112.2 158.4 -2.9 28.9 41.9 88 88 A P - 0 0 5 0, 0.0 -37,-1.9 0, 0.0 2,-0.3 -0.458 36.6-150.0 -77.9 164.6 0.8 28.3 41.2 89 89 A V E -d 51 0B 0 -39,-0.2 19,-2.3 16,-0.1 18,-0.4 -0.916 8.5-155.2-133.4 161.9 1.9 24.7 40.5 90 90 A I E +de 52 108B 0 -39,-2.2 -37,-1.9 -2,-0.3 2,-0.3 -0.999 16.2 164.3-139.2 136.3 4.9 22.6 41.1 91 91 A T E - e 0 109B 0 17,-1.6 19,-2.3 -2,-0.4 2,-0.3 -0.975 32.2-113.1-145.4 160.9 6.2 19.5 39.3 92 92 A D E - e 0 110B 15 -2,-0.3 -37,-0.4 -39,-0.3 2,-0.3 -0.675 21.5-150.1 -94.9 148.4 9.5 17.5 39.1 93 93 A V - 0 0 0 17,-2.1 32,-0.0 -2,-0.3 28,-0.0 -0.898 13.1-177.8-116.3 150.5 11.7 17.2 36.0 94 94 A H + 0 0 20 -2,-0.3 -1,-0.1 1,-0.2 27,-0.1 0.546 66.3 45.8-125.9 -18.2 13.9 14.2 35.2 95 95 A E S >> S- 0 0 40 1,-0.1 3,-1.0 26,-0.1 4,-0.6 -0.987 75.5-125.8-132.1 140.9 15.7 15.1 31.9 96 96 A P G >4 S+ 0 0 37 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.861 110.2 58.3 -49.6 -39.2 17.5 18.3 30.9 97 97 A H G 34 S+ 0 0 140 1,-0.3 3,-0.3 2,-0.1 24,-0.0 0.811 99.0 58.8 -66.1 -29.8 15.4 18.6 27.7 98 98 A Q G <> S+ 0 0 22 -3,-1.0 4,-2.4 1,-0.2 5,-0.3 0.695 87.5 82.9 -67.7 -19.6 12.1 18.6 29.8 99 99 A C H S+ 0 0 85 -4,-0.4 4,-1.4 -3,-0.3 -1,-0.2 0.944 118.7 46.0 -62.4 -48.1 12.2 24.6 29.3 101 101 A P H > S+ 0 0 54 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.927 117.1 44.2 -58.6 -47.1 8.8 23.1 28.2 102 102 A V H >X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 3,-1.3 0.927 110.8 55.6 -60.2 -45.7 7.8 22.2 31.7 103 103 A A H 3< S+ 0 0 8 -4,-2.9 -1,-0.2 -5,-0.3 -3,-0.2 0.736 95.8 66.5 -61.2 -25.5 9.0 25.6 33.0 104 104 A E H 3< S+ 0 0 135 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.839 119.8 20.5 -62.2 -33.2 6.7 27.4 30.4 105 105 A V H << S+ 0 0 18 -3,-1.3 2,-0.4 -4,-0.7 -2,-0.2 0.809 112.3 72.6-102.5 -44.4 3.7 26.0 32.3 106 106 A C < - 0 0 0 -4,-3.3 -16,-0.1 1,-0.1 -1,-0.1 -0.644 59.9-154.9 -93.7 129.2 4.9 25.1 35.9 107 107 A D S S+ 0 0 29 -18,-0.4 24,-0.9 -2,-0.4 2,-0.4 0.919 85.9 32.3 -65.5 -44.9 5.7 28.0 38.3 108 108 A V E S-ef 90 131B 0 -19,-2.3 -17,-1.6 22,-0.1 2,-0.4 -0.947 71.7-159.8-117.8 131.3 8.1 25.9 40.4 109 109 A I E -ef 91 132B 0 22,-2.2 24,-2.3 -2,-0.4 2,-0.4 -0.940 14.7-143.2-112.7 139.0 10.3 23.2 38.9 110 110 A Q E -ef 92 133B 6 -19,-2.3 -17,-2.1 -2,-0.4 24,-0.2 -0.853 6.4-144.5-115.0 132.7 11.7 20.5 41.2 111 111 A L E - f 0 134B 0 22,-2.8 24,-1.7 -2,-0.4 5,-0.1 -0.825 31.9-125.6 -92.7 107.8 15.0 18.8 41.2 112 112 A P > - 0 0 19 0, 0.0 3,-1.1 0, 0.0 4,-0.4 -0.238 14.3-120.9 -58.2 145.8 14.5 15.2 42.4 113 113 A A G > S+ 0 0 13 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.883 112.4 52.6 -50.8 -47.0 16.6 14.0 45.3 114 114 A F G 3 S+ 0 0 47 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.739 116.1 40.6 -64.0 -25.2 18.2 11.2 43.2 115 115 A L G X S+ 0 0 4 -3,-1.1 3,-2.2 1,-0.2 -1,-0.3 0.288 78.1 111.3-107.9 8.9 19.2 13.6 40.5 116 116 A A T < S+ 0 0 2 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.658 81.6 47.2 -66.0 -17.7 20.4 16.5 42.6 117 117 A R T 3 S+ 0 0 94 -3,-0.2 2,-1.0 -4,-0.2 452,-0.4 0.382 78.1 116.6-102.1 1.2 24.0 16.0 41.6 118 118 A Q <> - 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0 0 27 -2,-1.1 3,-0.1 567,-0.3 7,-0.1 -0.760 51.1-120.8-114.1 159.5 33.4 10.8 84.3 315 61 B S S S+ 0 0 95 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.819 100.2 13.0 -68.1 -33.9 35.4 12.6 81.6 316 62 B S S > S- 0 0 64 1,-0.1 3,-0.8 4,-0.0 -1,-0.1 -0.954 81.3-110.3-137.6 159.7 38.7 11.6 83.3 317 63 B I T 3 S+ 0 0 11 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.942 117.9 39.5 -48.1 -52.3 39.6 9.1 86.1 318 64 B H T 3 S+ 0 0 138 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.422 81.6 124.2 -93.8 3.0 40.5 11.8 88.5 319 65 B S S < S- 0 0 44 -3,-0.8 2,-0.2 1,-0.1 -5,-0.0 -0.333 81.2 -88.4 -52.6 142.4 37.6 14.3 87.7 320 66 B Y - 0 0 114 1,-0.2 -1,-0.1 -42,-0.0 3,-0.1 -0.397 34.0-156.6 -61.0 128.5 35.7 14.9 91.0 321 67 B R - 0 0 82 1,-0.3 -10,-2.7 -2,-0.2 2,-0.2 0.671 49.4 -95.4 -78.9 -17.3 33.0 12.3 91.4 322 68 B G - 0 0 4 -12,-0.2 -1,-0.3 -44,-0.1 -42,-0.2 -0.534 48.9 -61.7 116.4 169.1 30.9 14.6 93.7 323 69 B V S S- 0 0 32 -44,-1.7 4,-0.5 -15,-0.3 -13,-0.1 0.584 80.8-121.2 -67.2 -12.7 30.6 15.0 97.5 324 70 B G > - 0 0 17 -15,-2.6 4,-2.3 -45,-0.2 5,-0.2 -0.131 34.9 -58.8 93.3 173.1 29.3 11.4 97.9 325 71 B L H > S+ 0 0 46 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.908 124.8 48.0 -60.4 -47.4 26.2 9.8 99.2 326 72 B E H > S+ 0 0 148 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.952 121.9 32.0 -66.5 -52.9 26.2 11.1 102.8 327 73 B E H > S+ 0 0 86 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.877 116.7 60.2 -71.0 -36.4 26.9 14.8 102.2 328 74 B G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.922 105.3 46.2 -54.9 -49.6 25.0 14.7 98.9 329 75 B L H X S+ 0 0 19 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.883 109.2 55.3 -67.0 -34.7 21.8 13.6 100.5 330 76 B K H X S+ 0 0 106 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.926 109.1 48.7 -61.3 -40.8 22.2 16.3 103.2 331 77 B I H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.934 111.2 48.6 -62.6 -47.9 22.5 18.9 100.4 332 78 B F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.900 108.6 54.1 -58.5 -44.5 19.4 17.5 98.6 333 79 B E H X S+ 0 0 105 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.912 110.1 47.8 -54.6 -44.7 17.4 17.6 101.9 334 80 B K H X S+ 0 0 32 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.898 110.2 51.4 -64.6 -43.0 18.4 21.3 102.3 335 81 B V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.5 0.936 112.0 47.0 -57.9 -48.2 17.4 22.0 98.6 336 82 B K H X S+ 0 0 52 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.921 115.8 45.3 -61.3 -44.9 14.0 20.4 99.2 337 83 B A H < S+ 0 0 88 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.916 116.7 44.3 -64.7 -44.3 13.4 22.2 102.5 338 84 B E H < S+ 0 0 114 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.880 129.4 21.0 -71.4 -42.5 14.6 25.7 101.2 339 85 B F H < S- 0 0 24 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.566 90.9-130.9-108.2 -13.4 12.7 25.8 97.8 340 86 B G < + 0 0 66 -4,-1.9 -4,-0.2 -5,-0.5 -3,-0.1 0.799 64.0 127.8 67.6 31.3 9.9 23.2 98.3 341 87 B I - 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