==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-DEC-01 1KOF . COMPND 2 MOLECULE: GLUCONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.KRAFT,G.A.SPRENGER,Y.LINDQVIST . 342 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 13.5 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 . 34 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 0 4 1 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 6 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 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 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 3 A T 0 0 76 0, 0.0 2,-0.9 0, 0.0 222,-0.0 0.000 360.0 360.0 360.0 -18.0 9.4 13.1 30.3 2 4 A T - 0 0 33 2,-0.0 2,-1.1 1,-0.0 74,-0.1 -0.771 360.0-146.7 -77.4 104.5 7.1 10.2 31.3 3 5 A N > - 0 0 52 -2,-0.9 3,-2.0 72,-0.3 -1,-0.0 -0.607 9.1-164.0 -72.0 99.7 3.6 11.7 30.6 4 6 A H T 3 S+ 0 0 138 -2,-1.1 -1,-0.2 1,-0.3 3,-0.1 0.292 82.8 64.0 -75.5 19.3 1.6 10.1 33.4 5 7 A D T 3 S+ 0 0 139 70,-0.2 2,-0.4 1,-0.0 -1,-0.3 0.486 92.3 67.4-118.5 -4.4 -1.6 11.0 31.6 6 8 A H S < S- 0 0 28 -3,-2.0 2,-0.3 69,-0.2 74,-0.2 -0.931 72.8-159.0-111.7 143.2 -1.0 8.9 28.5 7 9 A H E -a 80 0A 64 72,-3.0 74,-3.3 -2,-0.4 2,-0.5 -0.912 12.1-145.7-132.2 148.5 -1.0 5.1 28.9 8 10 A I E -ab 81 103A 0 94,-1.7 96,-2.5 -2,-0.3 2,-0.5 -0.939 11.7-161.9-115.6 130.6 0.3 2.1 27.0 9 11 A Y E -ab 82 104A 26 72,-6.2 74,-2.8 -2,-0.5 2,-0.6 -0.953 5.2-154.0-112.6 130.3 -1.6 -1.1 26.9 10 12 A V E -ab 83 105A 1 94,-3.4 96,-2.3 -2,-0.5 2,-1.0 -0.876 10.6-143.1-103.0 117.0 0.2 -4.3 25.9 11 13 A L E +ab 84 106A 0 72,-1.5 74,-2.0 -2,-0.6 96,-0.2 -0.708 34.2 175.6 -78.5 107.2 -2.0 -7.0 24.4 12 14 A M E + b 0 107A 0 94,-1.5 96,-1.8 -2,-1.0 2,-0.2 -0.501 17.5 95.2-107.1 174.8 -0.6 -10.2 25.8 13 15 A G - 0 0 0 73,-2.9 75,-0.2 94,-0.2 96,-0.1 -0.747 69.4 -41.0 131.3 177.0 -1.5 -13.9 25.6 14 16 A V > - 0 0 2 94,-0.4 3,-2.0 -2,-0.2 2,-0.6 -0.261 66.4 -87.9 -79.1 163.7 -0.7 -16.9 23.6 15 17 A S T 3 S+ 0 0 57 1,-0.2 -1,-0.1 116,-0.1 104,-0.1 -0.601 120.7 33.4 -66.1 113.0 -0.3 -17.2 19.9 16 18 A G T 3 S+ 0 0 23 -2,-0.6 -1,-0.2 -3,-0.1 -2,-0.1 0.083 85.8 104.6 128.0 -20.4 -3.8 -17.7 18.7 17 19 A S S < S- 0 0 2 -3,-2.0 -2,-0.1 1,-0.1 -3,-0.1 0.299 98.0 -96.4 -78.3 5.2 -5.7 -15.7 21.3 18 20 A G > + 0 0 23 -4,-0.1 4,-2.5 97,-0.1 5,-0.4 0.679 69.6 148.1 96.5 22.0 -6.4 -12.7 19.0 19 21 A K H > S+ 0 0 24 -5,-0.3 4,-1.8 1,-0.2 5,-0.1 0.921 75.6 32.9 -59.5 -51.8 -3.7 -10.3 19.8 20 22 A S H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 120.3 47.7 -74.9 -41.2 -3.3 -8.6 16.4 21 23 A A H > S+ 0 0 55 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.922 115.9 45.1 -67.4 -45.0 -6.9 -8.8 15.2 22 24 A V H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.929 112.1 51.3 -67.5 -39.7 -8.2 -7.4 18.4 23 25 A A H X S+ 0 0 0 -4,-1.8 4,-1.0 -5,-0.4 -1,-0.2 0.852 104.1 57.9 -69.9 -29.5 -5.6 -4.7 18.7 24 26 A S H X S+ 0 0 55 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.858 110.0 42.5 -64.8 -41.4 -6.3 -3.4 15.1 25 27 A E H X S+ 0 0 53 -4,-1.2 4,-3.1 -3,-0.3 5,-0.4 0.898 111.8 53.7 -72.5 -41.8 -10.0 -2.7 15.7 26 28 A V H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.800 114.2 44.5 -62.0 -22.2 -9.3 -1.2 19.2 27 29 A A H X>S+ 0 0 13 -4,-1.0 5,-1.5 -5,-0.2 4,-0.7 0.869 114.5 47.4 -88.3 -40.9 -6.8 1.1 17.4 28 30 A H H ><5S+ 0 0 72 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.999 118.6 39.5 -57.3 -64.1 -9.1 1.8 14.6 29 31 A Q H 3<5S+ 0 0 90 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.753 119.4 44.3 -63.2 -28.9 -12.1 2.6 16.8 30 32 A L H 3<5S- 0 0 44 -4,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.497 100.9-131.6 -94.6 -4.1 -10.2 4.4 19.5 31 33 A H T <<5 + 0 0 174 -3,-1.4 2,-0.3 -4,-0.7 -3,-0.2 0.952 62.0 131.5 52.1 54.1 -8.3 6.4 17.0 32 34 A A < - 0 0 25 -5,-1.5 -1,-0.2 -6,-0.2 2,-0.1 -0.845 60.9 -75.4-135.1 173.0 -5.1 5.5 18.9 33 35 A A E -c 81 0A 10 47,-0.9 49,-2.3 -2,-0.3 2,-0.4 -0.377 38.9-171.3 -78.0 139.7 -1.6 4.3 18.3 34 36 A F E +c 82 0A 27 47,-0.2 2,-0.4 -2,-0.1 174,-0.3 -0.980 7.5 179.1-134.1 121.9 -0.9 0.7 17.6 35 37 A L E -c 83 0A 1 47,-2.1 49,-2.2 -2,-0.4 2,-0.7 -0.978 19.3-147.5-119.8 124.8 2.5 -0.9 17.4 36 38 A D E > -c 84 0A 19 -2,-0.4 3,-1.0 170,-0.3 49,-0.1 -0.850 12.6-146.3 -88.2 123.8 2.8 -4.6 16.7 37 39 A G G > S+ 0 0 0 47,-2.4 3,-1.1 -2,-0.7 -1,-0.1 0.488 85.3 79.9 -74.3 -4.0 5.8 -5.9 18.5 38 40 A D G > S+ 0 0 87 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.952 86.7 64.3 -62.7 -39.4 6.9 -8.5 16.1 39 41 A F G < S+ 0 0 7 -3,-1.0 206,-0.3 1,-0.3 207,-0.2 0.378 87.8 67.7 -65.5 -2.1 8.4 -5.7 14.0 40 42 A L G < + 0 0 15 -3,-1.1 -1,-0.3 205,-0.1 26,-0.1 0.188 66.9 126.9-108.1 21.9 11.0 -4.7 16.5 41 43 A H < - 0 0 13 -3,-1.3 204,-0.2 1,-0.1 5,-0.1 -0.578 67.6-107.1 -80.6 130.3 13.2 -7.8 16.4 42 44 A P >> - 0 0 14 0, 0.0 3,-2.6 0, 0.0 4,-1.4 -0.314 30.6-108.0 -56.6 136.1 16.8 -7.2 15.8 43 45 A R H 3> S+ 0 0 70 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.749 122.8 61.4 -32.5 -32.1 18.1 -8.1 12.3 44 46 A R H 3> S+ 0 0 174 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.926 102.2 48.9 -64.8 -48.3 19.8 -11.0 14.1 45 47 A N H <> S+ 0 0 6 -3,-2.6 4,-2.7 1,-0.2 5,-0.3 0.922 104.9 57.0 -62.2 -43.2 16.5 -12.4 15.3 46 48 A I H X S+ 0 0 10 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.902 112.1 43.9 -55.7 -38.2 14.9 -12.3 11.9 47 49 A E H X S+ 0 0 82 -4,-1.3 4,-3.0 -5,-0.3 5,-0.3 0.916 111.9 50.6 -75.9 -42.8 17.7 -14.5 10.7 48 50 A K H <>S+ 0 0 74 -4,-2.6 5,-0.9 1,-0.2 -2,-0.2 0.883 114.4 45.7 -61.6 -36.3 17.7 -16.9 13.6 49 51 A M H ><5S+ 0 0 85 -4,-2.7 3,-0.5 -5,-0.2 -1,-0.2 0.878 113.8 50.1 -71.0 -36.2 14.0 -17.3 13.2 50 52 A A H 3<5S+ 0 0 40 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.903 103.6 55.2 -70.2 -44.6 14.5 -17.7 9.4 51 53 A S T 3<5S- 0 0 88 -4,-3.0 -1,-0.3 2,-0.1 -2,-0.2 0.630 124.2-110.6 -61.7 -13.6 17.2 -20.3 9.6 52 54 A G T < 5S+ 0 0 56 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.227 74.4 136.1 101.3 -14.0 14.6 -22.0 11.7 53 55 A E < - 0 0 121 -5,-0.9 -1,-0.3 -6,-0.3 -2,-0.1 -0.490 54.5-122.9 -70.8 135.3 16.2 -21.8 15.1 54 56 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.136 28.1-108.3 -58.1 170.0 13.9 -20.8 17.9 55 57 A L - 0 0 16 -6,-0.0 2,-0.2 3,-0.0 -10,-0.0 -0.811 30.7-150.6-100.3 147.6 14.8 -17.6 19.9 56 58 A N > - 0 0 71 -2,-0.3 4,-0.6 1,-0.0 3,-0.1 -0.549 35.6 -92.3-104.2-176.8 16.0 -18.1 23.4 57 59 A D T 4 S+ 0 0 55 1,-0.2 4,-0.2 -2,-0.2 -1,-0.0 0.621 123.7 61.3 -70.9 -13.6 15.5 -15.7 26.3 58 60 A D T >4 S+ 0 0 123 1,-0.2 3,-2.0 2,-0.2 -1,-0.2 0.959 100.6 51.4 -75.5 -46.8 18.8 -14.1 25.6 59 61 A D T 34 S+ 0 0 27 1,-0.3 4,-0.2 2,-0.2 -2,-0.2 0.589 107.2 55.4 -62.7 -14.1 17.8 -13.0 22.0 60 62 A R T 3X S+ 0 0 63 -4,-0.6 4,-2.6 2,-0.1 -1,-0.3 0.432 87.4 80.3 -93.5 -11.5 14.6 -11.4 23.5 61 63 A K H <> S+ 0 0 134 -3,-2.0 4,-1.6 1,-0.2 5,-0.2 0.998 99.0 37.8 -57.5 -62.3 16.6 -9.3 25.8 62 64 A P H > S+ 0 0 56 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.659 117.1 53.3 -63.8 -23.2 17.5 -6.8 23.1 63 65 A W H > S+ 0 0 10 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.908 108.0 46.7 -82.2 -44.8 14.1 -7.0 21.6 64 66 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.780 110.7 54.3 -70.3 -26.2 12.1 -6.3 24.7 65 67 A Q H X S+ 0 0 76 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.860 107.2 50.7 -72.7 -35.8 14.3 -3.4 25.5 66 68 A A H X S+ 0 0 34 -4,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.876 113.2 47.0 -65.0 -38.9 13.7 -1.9 22.0 67 69 A L H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.3 -2,-0.2 0.918 108.9 51.5 -69.2 -48.5 10.0 -2.4 22.8 68 70 A N H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.906 111.8 50.5 -49.0 -43.7 10.2 -0.8 26.2 69 71 A D H >X S+ 0 0 32 -4,-2.2 4,-1.6 1,-0.2 3,-0.8 0.986 108.8 49.7 -59.3 -57.3 11.9 1.9 24.3 70 72 A A H 3X S+ 0 0 4 -4,-2.9 4,-1.9 1,-0.3 -2,-0.2 0.780 105.8 57.5 -50.8 -30.8 9.1 2.1 21.8 71 73 A A H 3X S+ 0 0 1 -4,-2.5 4,-1.3 2,-0.2 -1,-0.3 0.949 104.1 52.7 -66.1 -45.1 6.6 2.2 24.6 72 74 A F H << S+ 0 0 4 -4,-1.8 3,-0.3 -3,-0.8 -2,-0.2 0.898 110.2 48.2 -51.6 -52.4 8.4 5.3 25.9 73 75 A A H >< S+ 0 0 4 -4,-1.6 3,-0.9 138,-0.3 4,-0.5 0.801 107.4 53.5 -54.9 -44.5 8.1 7.0 22.5 74 76 A M H 3< S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.2 4,-0.2 0.801 104.7 54.1 -70.2 -28.8 4.4 6.3 21.9 75 77 A Q T 3< S+ 0 0 1 -4,-1.3 -72,-0.3 -3,-0.3 -1,-0.2 0.228 92.8 72.1 -93.1 11.5 3.2 7.8 25.2 76 78 A R S < S+ 0 0 70 -3,-0.9 -1,-0.2 -74,-0.1 -2,-0.1 0.786 115.9 20.3 -86.6 -34.2 4.9 11.1 24.6 77 79 A T S S+ 0 0 99 -4,-0.5 2,-0.3 -3,-0.5 -2,-0.2 0.117 121.7 52.6-123.7 12.7 2.4 12.0 21.9 78 80 A N - 0 0 44 -4,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.986 58.5-146.1-152.5 144.5 -0.7 9.7 22.6 79 81 A K S S+ 0 0 149 -2,-0.3 -72,-3.0 1,-0.2 2,-0.4 0.654 93.1 39.4 -86.6 -13.9 -2.9 9.0 25.6 80 82 A V E +a 7 0A 36 -74,-0.2 -47,-0.9 -6,-0.1 2,-0.5 -0.921 66.1 177.5-144.1 104.1 -3.6 5.4 24.6 81 83 A S E -ac 8 33A 0 -74,-3.3 -72,-6.2 -2,-0.4 2,-0.5 -0.946 9.2-164.4-111.6 128.4 -0.8 3.2 23.2 82 84 A L E -ac 9 34A 1 -49,-2.3 -47,-2.1 -2,-0.5 2,-0.5 -0.941 5.7-173.9-112.7 128.8 -1.5 -0.5 22.4 83 85 A I E -ac 10 35A 4 -74,-2.8 -72,-1.5 -2,-0.5 2,-0.4 -0.988 16.8-142.0-128.0 116.8 1.5 -2.8 21.8 84 86 A V E +ac 11 36A 3 -49,-2.2 -47,-2.4 -2,-0.5 2,-0.3 -0.681 43.0 135.2 -78.7 127.8 1.0 -6.4 20.7 85 87 A C - 0 0 2 -74,-2.0 -2,-0.1 -2,-0.4 -49,-0.0 -0.656 54.9-131.6 178.3 118.5 3.4 -8.7 22.3 86 88 A S - 0 0 40 -2,-0.3 -73,-2.9 -74,-0.2 -1,-0.1 0.729 27.9-167.1 -37.4 -53.8 2.5 -12.0 23.8 87 89 A A + 0 0 0 -75,-0.2 6,-0.1 1,-0.1 53,-0.1 0.800 18.1 166.4 61.3 40.9 4.5 -11.3 26.9 88 90 A L + 0 0 7 -75,-0.2 52,-2.4 51,-0.1 2,-0.3 0.825 50.9 57.3 -56.5 -52.2 4.4 -14.9 28.2 89 91 A K S > S- 0 0 52 50,-0.2 4,-1.2 1,-0.1 3,-0.3 -0.662 81.1-126.4 -86.1 142.4 7.0 -15.0 31.0 90 92 A K H > S+ 0 0 78 -2,-0.3 4,-2.5 1,-0.2 3,-0.2 0.849 110.8 60.0 -52.2 -36.5 6.7 -12.7 34.0 91 93 A H H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 99.8 53.3 -60.1 -50.1 10.3 -11.5 33.3 92 94 A Y H > S+ 0 0 13 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.828 110.1 51.3 -53.8 -28.8 9.3 -10.2 29.8 93 95 A R H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.924 106.6 51.2 -78.3 -43.5 6.6 -8.3 31.7 94 96 A D H X S+ 0 0 70 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.849 107.1 55.3 -56.7 -37.6 9.0 -6.8 34.1 95 97 A L H < S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.861 108.9 45.4 -70.8 -34.6 11.3 -5.6 31.3 96 98 A L H < S+ 0 0 4 -4,-1.2 4,-0.3 -5,-0.2 -1,-0.2 0.773 110.2 58.0 -74.2 -25.0 8.5 -3.7 29.5 97 99 A R H >< S+ 0 0 48 -4,-1.6 3,-0.8 -5,-0.1 2,-0.3 0.846 82.0 101.9 -72.4 -35.1 7.5 -2.3 32.9 98 100 A E T 3< S- 0 0 127 -4,-1.3 -3,-0.0 1,-0.3 -4,-0.0 -0.317 100.1 -0.6 -62.6 114.9 10.9 -0.8 33.5 99 101 A G T 3 S+ 0 0 44 -2,-0.3 -1,-0.3 -27,-0.0 3,-0.2 -0.113 117.9 88.6 99.1 -33.2 10.9 2.9 32.9 100 102 A N X + 0 0 2 -3,-0.8 3,-1.0 -4,-0.3 -92,-0.1 -0.524 37.6 156.8-101.1 69.1 7.2 2.7 31.9 101 103 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.733 76.8 65.0 -61.9 -23.6 5.2 3.2 35.1 102 104 A N T 3 S+ 0 0 8 -3,-0.2 -94,-1.7 -5,-0.1 2,-0.3 -0.226 87.8 101.4 -94.2 40.9 2.5 4.3 32.8 103 105 A L E < +b 8 0A 7 -3,-1.0 2,-0.3 -96,-0.2 -94,-0.2 -0.942 41.9 172.7-127.2 151.1 2.2 0.9 31.2 104 106 A S E -b 9 0A 7 -96,-2.5 -94,-3.4 -2,-0.3 2,-0.3 -0.944 22.3-122.8-150.0 171.4 -0.2 -2.0 31.5 105 107 A F E -bd 10 149A 0 43,-2.6 45,-2.4 -2,-0.3 2,-0.4 -0.853 4.7-160.2-119.6 149.0 -1.3 -5.4 30.1 106 108 A I E -bd 11 150A 0 -96,-2.3 -94,-1.5 -2,-0.3 2,-0.9 -0.961 21.9-146.1-127.4 110.3 -4.5 -6.6 28.8 107 109 A Y E -bd 12 151A 5 43,-3.8 45,-2.7 -2,-0.4 2,-2.1 -0.712 6.2-152.4 -90.3 105.3 -4.5 -10.4 28.9 108 110 A L E - 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0 0 78 -3,-1.2 2,-1.2 -5,-0.2 -1,-0.2 -0.786 51.0-150.4 -92.1 120.5 -3.5 -23.6 7.7 126 128 A F - 0 0 173 -2,-0.7 2,-0.4 -3,-0.1 -6,-0.1 -0.711 20.0-148.0 -90.7 97.8 -1.7 -26.8 8.8 127 129 A F - 0 0 26 -2,-1.2 2,-0.5 -7,-0.1 -7,-0.0 -0.524 8.4-157.8 -71.9 122.2 -2.1 -26.7 12.6 128 130 A K > - 0 0 144 -2,-0.4 4,-0.5 1,-0.1 3,-0.2 -0.860 5.7-154.4-102.1 124.1 0.6 -28.2 14.8 129 131 A T H >> S+ 0 0 75 -2,-0.5 4,-1.7 1,-0.2 3,-1.4 0.875 89.6 56.1 -64.4 -46.3 -0.4 -29.2 18.4 130 132 A Q H 3> S+ 0 0 123 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.886 97.0 67.8 -57.2 -36.0 3.0 -29.0 20.1 131 133 A M H 3> S+ 0 0 71 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.777 109.0 34.3 -55.6 -31.2 3.2 -25.4 19.0 132 134 A L H - 0 0 31 -2,-0.6 3,-1.9 -3,-0.2 6,-0.2 -0.034 28.1 -90.9 -75.1 177.0 -1.0 -13.7 38.8 144 146 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.1 3,-0.1 5,-0.1 0.681 121.2 66.0 -69.8 -17.0 -2.9 -11.4 41.3 145 147 A D T 3 S+ 0 0 114 1,-0.2 2,-1.2 2,-0.1 -1,-0.3 0.606 83.1 80.3 -77.7 -13.5 0.3 -9.8 42.5 146 148 A E X + 0 0 16 -3,-1.9 3,-1.2 1,-0.1 -1,-0.2 -0.688 64.6 179.4 -93.6 85.1 0.7 -8.3 39.0 147 149 A T T 3 + 0 0 127 -2,-1.2 -1,-0.1 1,-0.3 -3,-0.1 0.233 66.8 63.3 -79.1 12.3 -1.7 -5.4 39.5 148 150 A D T 3 S+ 0 0 42 2,-0.1 -43,-2.6 -44,-0.0 2,-0.6 0.131 81.8 104.6-113.8 16.0 -1.4 -3.6 36.1 149 151 A V E < -d 105 0A 22 -3,-1.2 2,-0.3 -45,-0.2 -43,-0.2 -0.879 48.4-175.6-102.6 121.6 -2.8 -6.6 34.3 150 152 A L E -d 106 0A 54 -45,-2.4 -43,-3.8 -2,-0.6 2,-0.4 -0.773 14.2-143.6-105.9 162.0 -6.3 -6.5 33.1 151 153 A V E -d 107 0A 72 -2,-0.3 2,-0.4 -45,-0.3 -43,-0.2 -0.958 10.7-163.5-134.8 139.9 -7.9 -9.5 31.6 152 154 A V E -d 108 0A 3 -45,-2.7 -43,-1.7 -2,-0.4 2,-0.5 -0.989 23.1-127.8-127.8 132.6 -10.3 -10.0 28.8 153 155 A D E -d 109 0A 91 -2,-0.4 -43,-0.2 -45,-0.2 11,-0.1 -0.666 18.5-170.0 -80.3 124.8 -12.2 -13.2 28.3 154 156 A I + 0 0 0 -45,-2.0 2,-3.8 -2,-0.5 -1,-0.2 0.696 62.4 97.4 -91.5 -18.9 -11.8 -14.4 24.8 155 157 A D S S+ 0 0 111 -46,-0.4 -1,-0.1 6,-0.0 -2,-0.1 -0.339 75.5 83.7 -67.8 71.9 -14.4 -17.2 24.8 156 158 A Q S S- 0 0 64 -2,-3.8 2,-0.1 0, 0.0 5,-0.1 -0.894 95.8 -82.2-168.3 148.1 -16.7 -14.6 23.2 157 159 A P >> - 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0 0 2 73,-1.2 3,-0.2 -2,-0.3 5,-0.1 -0.453 69.0 -53.1 127.6 154.9 6.1 14.1 2.6 186 16 B V S > S- 0 0 3 1,-0.2 3,-1.3 -2,-0.2 2,-0.7 0.323 72.2 -71.1 -52.0 177.6 6.2 17.0 5.0 187 17 B S T 3 S+ 0 0 50 1,-0.2 -1,-0.2 116,-0.1 104,-0.1 -0.675 125.1 27.8 -72.4 114.9 4.4 17.4 8.2 188 18 B G T 3 S+ 0 0 22 -2,-0.7 -1,-0.2 -3,-0.2 -2,-0.1 0.205 85.7 107.4 118.2 -11.5 0.7 18.0 7.1 189 19 B S S < S- 0 0 3 -3,-1.3 -2,-0.1 -4,-0.1 -3,-0.1 0.831 95.6 -99.5 -65.0 -35.1 0.8 16.1 3.8 190 20 B G S >>S+ 0 0 22 -4,-0.4 4,-2.5 -5,-0.1 5,-0.5 0.396 72.4 140.5 133.7 2.6 -1.3 13.2 5.1 191 21 B K H >5S+ 0 0 25 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.857 78.4 34.2 -44.9 -63.2 1.0 10.4 6.0 192 22 B S H >5S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.942 118.1 49.9 -57.5 -56.4 -0.6 9.2 9.2 193 23 B A H >5S+ 0 0 59 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.766 119.5 37.3 -60.5 -31.9 -4.2 9.8 8.3 194 24 B V H X5S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.832 113.6 55.1 -87.1 -39.6 -4.0 8.1 5.0 195 25 B A H XS+ 0 0 11 -4,-2.1 5,-2.0 1,-0.2 4,-0.8 0.885 112.5 51.5 -69.8 -40.1 -3.6 -0.6 6.2 200 30 B H H <5S+ 0 0 63 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.923 114.7 44.7 -61.3 -39.4 -7.0 -0.9 7.5 201 31 B Q H <5S+ 0 0 87 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.929 121.0 33.6 -75.3 -46.3 -8.3 -1.3 4.0 202 32 B L H <5S- 0 0 49 -4,-3.2 -1,-0.2 -5,-0.1 -3,-0.2 0.479 109.8-122.4 -84.4 0.7 -5.8 -3.8 2.4 203 33 B H T <5 + 0 0 169 -4,-0.8 2,-0.2 -5,-0.3 -3,-0.2 0.944 60.1 152.7 60.4 54.5 -5.6 -5.3 5.9 204 34 B A < - 0 0 24 -5,-2.0 2,-0.2 -6,-0.2 -1,-0.2 -0.711 53.1 -83.0-127.4 170.9 -1.8 -4.8 6.2 205 35 B A E +g 253 0B 8 47,-1.1 49,-3.8 -2,-0.2 2,-0.4 -0.375 48.1 178.6 -63.6 124.4 1.2 -4.2 8.4 206 36 B F E +g 254 0B 35 47,-0.2 2,-0.4 -2,-0.2 -170,-0.3 -0.998 8.1 178.3-133.9 139.2 1.5 -0.6 9.3 207 37 B L E -g 255 0B 0 47,-2.8 49,-2.1 -2,-0.4 2,-0.6 -0.998 22.6-141.5-140.8 126.9 4.1 1.0 11.5 208 38 B D E > -g 256 0B 18 -2,-0.4 3,-1.4 -174,-0.3 49,-0.1 -0.824 11.8-151.7 -87.3 126.4 4.5 4.6 12.4 209 39 B G G > S+ 0 0 0 47,-2.0 3,-1.4 -2,-0.6 -1,-0.1 0.549 85.8 80.4 -73.2 -8.9 8.2 5.5 12.4 210 40 B D G > S+ 0 0 100 1,-0.3 3,-0.8 46,-0.1 -1,-0.3 0.820 87.3 67.7 -65.9 -16.7 7.9 8.2 15.0 211 41 B F G < S+ 0 0 11 -3,-1.4 -138,-0.3 1,-0.2 -1,-0.3 0.520 87.5 63.0 -83.1 -4.3 7.8 5.2 17.3 212 42 B L G < + 0 0 21 -3,-1.4 -1,-0.2 -139,-0.1 26,-0.1 0.058 64.3 125.3-110.3 24.5 11.4 4.0 16.8 213 43 B H < - 0 0 16 -3,-0.8 -140,-0.2 1,-0.1 5,-0.1 -0.616 66.7-104.0 -82.0 145.3 13.6 6.8 18.1 214 44 B P >> - 0 0 38 0, 0.0 4,-1.6 0, 0.0 3,-1.1 -0.249 33.1-103.8 -64.3 147.5 16.1 5.9 20.7 215 45 B R H 3> S+ 0 0 71 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.839 123.2 60.8 -37.5 -36.7 15.5 6.9 24.3 216 46 B R H 3> S+ 0 0 163 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.928 102.4 49.6 -61.2 -50.2 18.1 9.6 23.7 217 47 B N H <> S+ 0 0 2 -3,-1.1 4,-2.7 1,-0.2 5,-0.3 0.884 106.7 55.5 -57.6 -40.1 16.1 11.2 20.9 218 48 B I H X S+ 0 0 12 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.888 108.3 47.2 -65.5 -36.9 12.8 11.3 23.0 219 49 B E H X S+ 0 0 85 -4,-1.6 4,-2.0 -3,-0.2 -1,-0.2 0.897 111.3 51.5 -70.7 -38.2 14.4 13.2 25.8 220 50 B K H <>S+ 0 0 50 -4,-1.6 5,-2.4 2,-0.2 -2,-0.2 0.926 113.4 43.7 -66.5 -49.9 16.0 15.7 23.3 221 51 B M H ><5S+ 0 0 87 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.916 114.7 51.3 -61.9 -38.8 12.7 16.4 21.6 222 52 B A H 3<5S+ 0 0 33 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.846 100.1 61.8 -64.9 -27.2 11.1 16.6 25.0 223 53 B S T 3<5S- 0 0 82 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.271 128.2-100.9 -83.6 21.3 13.6 19.0 26.2 224 54 B G T < 5S+ 0 0 60 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.2 0.565 81.4 127.7 73.2 17.2 12.3 21.3 23.4 225 55 B E < - 0 0 115 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.2 -0.779 59.3-114.7-117.9 151.2 15.1 20.6 20.9 226 56 B P - 0 0 100 0, 0.0 -5,-0.0 0, 0.0 -1,-0.0 -0.703 28.5-128.9 -74.6 123.5 15.5 19.6 17.4 227 57 B L - 0 0 8 -2,-0.5 2,-0.2 1,-0.1 -10,-0.0 -0.325 26.4-141.2 -61.0 152.8 17.2 16.3 16.6 228 58 B N >> - 0 0 63 0, 0.0 4,-1.0 0, 0.0 3,-0.6 -0.516 30.7 -88.0-112.0 179.8 20.0 16.7 14.1 229 59 B D T 34 S+ 0 0 63 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.814 125.1 56.9 -65.4 -27.0 21.0 14.4 11.3 230 60 B D T >4 S+ 0 0 131 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.889 103.5 55.6 -67.1 -38.4 23.3 12.3 13.5 231 61 B D T <4 S+ 0 0 8 -3,-0.6 4,-0.4 1,-0.3 -1,-0.2 0.744 104.5 54.7 -60.9 -25.7 20.4 11.6 15.8 232 62 B R T 3X S+ 0 0 61 -4,-1.0 4,-2.2 -3,-0.4 -1,-0.3 0.469 90.0 77.9 -86.0 -9.8 18.5 10.3 12.8 233 63 B K H <> S+ 0 0 137 -3,-1.4 4,-1.5 -4,-0.3 5,-0.2 0.994 98.9 37.4 -64.7 -57.2 21.1 7.8 12.0 234 64 B P H > S+ 0 0 65 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.717 116.6 55.5 -69.1 -22.1 20.3 5.3 14.6 235 65 B W H > S+ 0 0 13 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.949 107.8 45.3 -75.5 -51.1 16.6 5.9 14.1 236 66 B L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.737 111.3 53.7 -67.4 -25.5 16.5 5.2 10.4 237 67 B Q H X S+ 0 0 80 -4,-1.5 4,-1.5 2,-0.2 -1,-0.3 0.879 108.2 51.0 -74.4 -37.3 18.6 2.1 10.9 238 68 B A H X S+ 0 0 31 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.863 111.8 47.3 -62.9 -38.4 16.1 1.0 13.4 239 69 B L H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.783 109.5 52.5 -70.3 -36.0 13.3 1.6 10.9 240 70 B N H X S+ 0 0 1 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.773 109.7 50.1 -69.9 -31.0 15.2 -0.2 8.2 241 71 B D H X S+ 0 0 27 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.917 109.8 50.5 -73.1 -37.9 15.5 -3.0 10.6 242 72 B A H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.714 105.3 56.1 -71.6 -25.0 11.7 -2.8 11.2 243 73 B A H X S+ 0 0 0 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.911 106.4 52.2 -68.1 -44.6 11.2 -2.8 7.5 244 74 B F H < S+ 0 0 3 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.919 110.0 47.7 -57.1 -49.9 13.1 -6.1 7.4 245 75 B A H >< S+ 0 0 5 -4,-2.2 3,-1.4 -206,-0.3 4,-0.5 0.940 108.1 53.2 -61.1 -48.3 10.9 -7.6 10.1 246 76 B M H >X S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.3 4,-0.5 0.876 103.7 56.7 -58.2 -34.9 7.5 -6.6 8.6 247 77 B Q T 3< S+ 0 0 0 -4,-1.6 -72,-0.3 1,-0.3 -1,-0.3 0.131 90.6 72.0 -91.4 22.9 8.2 -8.1 5.2 248 78 B R T <4 S+ 0 0 84 -3,-1.4 -1,-0.3 -74,-0.1 -2,-0.2 0.596 116.9 18.8 -98.9 -24.1 8.9 -11.6 6.6 249 79 B T T <4 S+ 0 0 88 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.280 120.6 54.5-134.6 6.5 5.3 -12.1 7.4 250 80 B N < - 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