==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN-BINDING PROTEIN 21-SEP-12 4BB9 . COMPND 2 MOLECULE: GLUCOKINASE REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.PAUTSCH,N.STADLER,A.LOEHLE,M.LENTER,W.RIST,A.BERG,L.GLOCKE . 595 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.2 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 . 27 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 3 0 1 1 1 2 0 2 3 2 0 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 3 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 PARALLEL 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 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 6 A R 0 0 148 0, 0.0 3,-0.2 0, 0.0 547,-0.1 0.000 360.0 360.0 360.0 -29.8 55.4 12.9 7.4 2 7 A F > + 0 0 27 1,-0.1 3,-1.6 2,-0.1 524,-0.0 0.200 360.0 114.5-112.6 13.4 53.6 11.4 10.5 3 8 A Q T 3 S+ 0 0 190 1,-0.3 -1,-0.1 3,-0.0 205,-0.0 0.825 76.6 53.7 -55.1 -39.7 56.6 9.8 12.4 4 9 A H T 3 S+ 0 0 73 -3,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.600 84.4 104.8 -72.4 -15.4 56.3 12.2 15.4 5 10 A V S < S- 0 0 18 -3,-1.6 2,-0.3 1,-0.1 3,-0.1 -0.573 70.5-135.1 -72.1 125.4 52.6 11.4 15.9 6 11 A I - 0 0 70 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.624 25.3-101.2 -82.8 140.9 52.1 9.1 18.9 7 12 A E - 0 0 97 -2,-0.3 12,-0.2 1,-0.1 -1,-0.1 -0.247 44.6 -97.7 -58.5 143.1 49.8 6.1 18.6 8 13 A T - 0 0 5 512,-0.1 -1,-0.1 1,-0.1 514,-0.1 -0.485 43.7-111.4 -60.8 130.1 46.4 6.6 20.2 9 14 A P - 0 0 15 0, 0.0 5,-0.2 0, 0.0 3,-0.1 -0.319 37.2-102.7 -60.6 149.4 46.3 5.1 23.7 10 15 A E > - 0 0 135 3,-0.2 3,-2.4 1,-0.2 4,-0.1 -0.266 57.1 -69.9 -66.5 157.6 44.1 1.9 24.0 11 16 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 508,-0.0 -0.295 124.9 10.9 -56.3 131.3 40.6 2.4 25.7 12 17 A G T 3 S+ 0 0 60 -3,-0.1 3,-0.2 1,-0.0 -2,-0.1 0.321 109.3 91.6 83.3 -4.8 41.0 3.1 29.4 13 18 A K < + 0 0 154 -3,-2.4 -3,-0.2 1,-0.2 -1,-0.0 0.090 49.1 98.2-108.7 21.9 44.8 3.6 29.0 14 19 A W > + 0 0 39 -5,-0.2 3,-1.9 2,-0.1 6,-0.3 0.807 61.4 94.1 -74.8 -32.8 45.0 7.4 28.4 15 20 A E T 3 S- 0 0 141 1,-0.3 0, 0.0 -3,-0.2 0, 0.0 -0.488 106.0 -0.9 -65.4 121.7 45.8 7.9 32.1 16 21 A L T 3 S+ 0 0 187 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.549 97.8 155.2 71.6 14.6 49.6 8.1 32.3 17 22 A S <> - 0 0 17 -3,-1.9 4,-2.2 1,-0.1 -1,-0.2 -0.377 54.6-130.2 -72.5 150.7 50.0 7.6 28.6 18 23 A G H > S+ 0 0 52 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.841 110.9 62.2 -63.8 -31.0 53.1 8.8 26.7 19 24 A Y H >4 S+ 0 0 19 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.952 107.5 41.0 -57.7 -54.0 50.6 10.3 24.3 20 25 A E H >4 S+ 0 0 56 -6,-0.3 3,-1.4 1,-0.2 -2,-0.2 0.888 109.7 58.4 -64.1 -38.9 49.2 12.6 27.0 21 26 A A H 3< S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.780 104.7 53.0 -60.3 -28.4 52.6 13.3 28.5 22 27 A A T << S+ 0 0 53 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.494 77.5 112.7 -87.2 -7.8 53.7 14.8 25.1 23 28 A V S < S- 0 0 19 -3,-1.4 5,-0.1 -4,-0.4 181,-0.0 -0.555 73.8-121.3 -67.9 118.9 50.8 17.2 24.6 24 29 A P >> - 0 0 32 0, 0.0 3,-1.7 0, 0.0 4,-1.2 -0.274 16.3-119.3 -58.5 147.4 52.3 20.7 24.8 25 30 A I G >4 S+ 0 0 44 1,-0.3 3,-0.8 2,-0.2 218,-0.3 0.910 116.0 59.2 -54.4 -38.6 50.9 22.9 27.6 26 31 A T G 34 S+ 0 0 16 1,-0.3 221,-0.7 216,-0.1 217,-0.3 0.734 112.2 39.9 -62.6 -21.8 49.7 25.4 24.9 27 32 A E G <4 S+ 0 0 42 -3,-1.7 -1,-0.3 219,-0.1 -2,-0.2 0.533 93.6 111.3-101.7 -12.8 47.6 22.5 23.4 28 33 A K S << S- 0 0 62 -4,-1.2 219,-0.4 -3,-0.8 215,-0.3 -0.257 74.2-108.0 -66.6 153.0 46.3 20.9 26.6 29 34 A S - 0 0 31 217,-0.1 215,-0.1 213,-0.1 -1,-0.1 -0.595 33.5-121.8 -75.6 133.3 42.7 21.0 27.8 30 35 A N > - 0 0 2 213,-0.6 3,-1.7 -2,-0.3 4,-0.2 -0.719 14.5-139.7 -77.7 126.1 42.3 23.4 30.8 31 36 A P T 3 S+ 0 0 104 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.640 99.5 56.3 -63.0 -15.6 40.8 21.3 33.7 32 37 A L T 3 S+ 0 0 89 1,-0.2 3,-0.2 2,-0.1 212,-0.1 0.527 106.4 47.4 -90.3 -10.6 38.5 24.2 34.7 33 38 A T X + 0 0 0 -3,-1.7 3,-2.1 1,-0.1 4,-0.2 0.175 64.1 119.9-122.1 24.3 36.8 24.5 31.3 34 39 A Q T 3 S+ 0 0 88 -3,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.712 84.9 46.0 -60.9 -23.0 35.8 20.9 30.2 35 40 A D T >> S+ 0 0 102 -3,-0.2 3,-0.7 1,-0.2 4,-0.6 0.052 75.2 115.0-109.1 27.1 32.1 22.0 30.2 36 41 A L G X4 + 0 0 0 -3,-2.1 3,-1.1 1,-0.2 458,-0.2 0.875 66.5 67.1 -59.6 -40.9 32.7 25.3 28.3 37 42 A D G 34 S+ 0 0 20 456,-1.5 452,-0.2 -3,-0.3 -1,-0.2 0.813 110.8 31.2 -52.2 -38.2 30.7 24.0 25.3 38 43 A K G <4 S+ 0 0 117 -3,-0.7 -1,-0.3 451,-0.1 -2,-0.2 0.383 91.1 120.1-104.7 3.2 27.4 23.9 27.2 39 44 A A << - 0 0 15 -3,-1.1 -3,-0.0 -4,-0.6 2,-0.0 -0.372 62.9-121.7 -68.7 143.3 28.0 26.9 29.6 40 45 A D > - 0 0 81 -2,-0.1 4,-2.6 1,-0.1 3,-0.2 -0.250 37.3 -90.5 -76.7 173.1 25.5 29.8 29.4 41 46 A A H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.899 126.7 47.8 -54.6 -46.2 26.8 33.4 28.6 42 47 A E H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.876 113.6 47.8 -63.9 -37.9 27.4 34.3 32.3 43 48 A N H > S+ 0 0 64 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.867 108.3 54.9 -72.5 -33.9 29.2 31.0 33.0 44 49 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.931 107.5 50.2 -62.6 -44.6 31.4 31.5 29.8 45 50 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.912 111.8 48.7 -59.1 -42.7 32.5 35.0 31.1 46 51 A R H X S+ 0 0 147 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.916 114.2 44.8 -64.0 -43.5 33.4 33.4 34.5 47 52 A L H X S+ 0 0 33 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.935 117.9 42.3 -65.5 -49.4 35.4 30.5 32.9 48 53 A L H X S+ 0 0 3 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.870 113.6 52.7 -69.4 -35.0 37.2 32.7 30.5 49 54 A G H X S+ 0 0 5 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.902 108.6 50.6 -62.5 -42.6 37.8 35.4 33.1 50 55 A Q H X S+ 0 0 95 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.927 111.8 48.0 -61.0 -46.5 39.3 32.8 35.4 51 56 A C H >< S+ 0 0 3 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.909 108.0 54.6 -60.9 -43.0 41.6 31.6 32.6 52 57 A D H >< S+ 0 0 7 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.851 105.7 52.9 -59.9 -35.9 42.7 35.2 31.8 53 58 A A H >X S+ 0 0 19 -4,-1.8 3,-1.6 1,-0.2 4,-0.6 0.696 90.3 79.7 -72.2 -20.0 43.7 35.7 35.4 54 59 A E G X< S+ 0 0 23 -3,-1.0 3,-0.7 -4,-0.8 -1,-0.2 0.770 77.8 69.8 -62.2 -22.9 45.9 32.6 35.4 55 60 A I G <4 S+ 0 0 0 -3,-0.9 10,-0.4 -4,-0.4 -1,-0.3 0.790 103.1 43.9 -64.1 -27.5 48.7 34.4 33.6 56 61 A F G <4 S+ 0 0 4 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.584 84.5 116.6 -91.0 -15.6 49.4 36.5 36.8 57 62 A Q << 0 0 88 -3,-0.7 8,-0.3 -4,-0.6 9,-0.2 -0.351 360.0 360.0 -64.2 125.5 49.2 33.6 39.2 58 63 A E 0 0 101 -2,-0.1 6,-0.2 6,-0.1 -1,-0.1 0.760 360.0 360.0 -88.1 360.0 52.5 33.0 41.0 59 ! 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 60 69 A S 0 0 141 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.5 54.3 25.7 42.5 61 70 A T > + 0 0 87 3,-0.1 3,-1.5 2,-0.0 2,-0.2 0.345 360.0 144.1 -98.3 1.1 56.0 29.0 41.6 62 71 A Y T 3 S- 0 0 170 1,-0.3 177,-0.1 5,-0.1 5,-0.0 -0.253 78.7 -26.1 -56.9 114.2 58.3 27.4 38.9 63 72 A Q T 3 S+ 0 0 44 -2,-0.2 176,-2.4 1,-0.2 -1,-0.3 0.604 91.9 154.2 56.6 23.4 59.0 29.6 35.9 64 73 A R B X -a 239 0A 43 -3,-1.5 3,-1.8 174,-0.2 6,-0.4 -0.188 63.0 -96.7 -71.5 168.7 55.8 31.6 36.3 65 74 A L T 3 S+ 0 0 0 174,-0.6 -7,-0.1 -10,-0.4 -1,-0.1 0.875 127.2 44.9 -54.7 -37.2 55.6 35.2 34.9 66 75 A Y T 3 S+ 0 0 9 -9,-0.2 -1,-0.3 -10,-0.1 -8,-0.1 0.372 88.3 121.8 -89.2 3.6 56.4 36.6 38.4 67 76 A S S <> S- 0 0 8 -3,-1.8 4,-2.6 1,-0.1 5,-0.2 -0.343 72.8-122.7 -67.9 150.0 59.2 34.1 39.1 68 77 A E H > S+ 0 0 147 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 112.4 57.0 -56.8 -38.7 62.7 35.4 39.8 69 78 A S H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 110.9 40.5 -59.8 -48.5 64.0 33.4 36.8 70 79 A I H > S+ 0 0 1 -6,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.923 115.8 50.3 -68.9 -44.4 61.6 35.0 34.3 71 80 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.893 108.8 53.0 -62.1 -38.4 62.1 38.5 35.8 72 81 A T H X S+ 0 0 53 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.911 109.1 48.9 -61.5 -43.2 65.9 38.1 35.6 73 82 A T H X S+ 0 0 11 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.916 109.9 52.4 -63.2 -40.0 65.6 37.2 31.9 74 83 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.908 109.1 49.4 -61.0 -40.8 63.4 40.2 31.4 75 84 A V H X S+ 0 0 42 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.923 111.9 48.9 -63.9 -42.8 66.1 42.4 33.1 76 85 A Q H X S+ 0 0 57 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.916 112.8 46.6 -64.0 -42.2 68.8 40.9 30.8 77 86 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.912 110.4 52.2 -67.1 -42.4 66.8 41.4 27.6 78 87 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.891 106.5 56.9 -62.5 -32.9 65.9 45.1 28.6 79 88 A G H X S+ 0 0 20 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.900 109.2 43.9 -61.2 -42.1 69.7 45.5 29.1 80 89 A K H X S+ 0 0 41 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.887 113.2 51.1 -71.2 -38.0 70.3 44.4 25.5 81 90 A V H >X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.8 0.920 106.3 54.0 -65.3 -45.3 67.5 46.6 24.2 82 91 A Q H 3X S+ 0 0 36 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.842 101.2 60.1 -61.3 -29.6 68.7 49.7 26.0 83 92 A E H 3< S+ 0 0 97 -4,-1.2 4,-0.5 1,-0.2 -1,-0.3 0.868 109.9 43.3 -62.3 -36.5 72.2 49.2 24.3 84 93 A V H X< S+ 0 0 2 -4,-1.0 3,-1.1 -3,-0.8 -2,-0.2 0.901 110.7 53.5 -74.4 -43.0 70.4 49.6 20.9 85 94 A L H 3< S+ 0 0 15 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.835 107.0 53.5 -62.6 -30.6 68.2 52.5 22.1 86 95 A K T 3< S+ 0 0 147 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.662 113.1 45.0 -73.4 -23.4 71.4 54.3 23.1 87 96 A E < + 0 0 134 -3,-1.1 4,-0.3 -4,-0.5 -1,-0.2 -0.646 63.9 164.8-120.8 70.5 72.9 53.8 19.6 88 97 A P > + 0 0 51 0, 0.0 3,-1.5 0, 0.0 2,-0.8 0.829 55.1 90.9 -57.7 -33.3 70.1 54.7 17.1 89 98 A D T 3 S- 0 0 139 1,-0.3 3,-0.1 72,-0.1 72,-0.0 -0.539 113.1 -3.9 -67.4 103.3 72.7 54.9 14.2 90 99 A G T 3 S+ 0 0 17 -2,-0.8 72,-2.3 1,-0.3 73,-2.1 0.400 108.8 125.0 91.2 2.0 72.6 51.4 12.9 91 100 A G E < +b 163 0B 2 -3,-1.5 -1,-0.3 -4,-0.3 2,-0.3 -0.620 29.8 169.3 -96.4 151.1 70.2 50.1 15.6 92 101 A L E -b 164 0B 17 71,-1.5 73,-2.4 -2,-0.2 2,-0.5 -0.972 23.6-153.8-157.0 143.0 66.9 48.2 15.1 93 102 A V E -bc 165 125B 0 31,-2.6 33,-2.2 -2,-0.3 2,-0.4 -0.989 20.4-169.9-119.6 117.1 64.4 46.3 17.3 94 103 A V E -bc 166 126B 0 71,-3.3 73,-3.2 -2,-0.5 2,-0.4 -0.915 7.7-166.9-108.1 134.5 62.4 43.8 15.3 95 104 A L E -bc 167 127B 0 31,-1.8 33,-2.5 -2,-0.4 2,-0.3 -0.971 18.2-178.3-117.3 138.8 59.4 41.9 16.6 96 105 A S E +bc 168 128B 0 71,-2.6 73,-3.2 -2,-0.4 2,-0.3 -0.972 13.7 120.4-141.6 151.8 58.1 39.0 14.6 97 106 A G E - c 0 129B 0 31,-1.9 33,-2.0 -2,-0.3 2,-0.3 -0.961 45.7 -96.1 175.6 175.6 55.5 36.3 14.5 98 107 A G S >> S- 0 0 8 71,-0.5 3,-1.4 -2,-0.3 4,-1.0 -0.782 80.7 -21.1-107.0 154.3 52.6 34.6 12.8 99 108 A G H 3> S- 0 0 10 -2,-0.3 4,-2.3 31,-0.3 3,-0.3 -0.146 135.1 -2.4 52.0-133.1 48.9 35.3 13.4 100 109 A T H 3> S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.848 136.4 56.7 -60.7 -33.5 48.1 36.9 16.7 101 110 A S H <> S+ 0 0 13 -3,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.919 109.6 45.4 -63.4 -40.9 51.8 36.8 17.6 102 111 A G H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.3 -2,-0.2 0.853 111.7 51.8 -66.5 -35.6 52.6 38.8 14.4 103 112 A R H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.858 108.8 51.0 -72.0 -31.3 49.7 41.2 15.2 104 113 A M H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.886 108.4 51.9 -67.3 -38.3 51.2 41.6 18.7 105 114 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.945 111.3 48.2 -60.9 -44.4 54.6 42.3 17.0 106 115 A F H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.953 112.4 47.8 -58.5 -53.6 52.8 44.9 14.9 107 116 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.904 110.7 51.2 -56.6 -45.6 51.1 46.5 18.0 108 117 A M H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.911 110.0 49.8 -60.6 -41.1 54.4 46.6 20.0 109 118 A S H X S+ 0 0 3 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.916 112.2 48.3 -65.4 -36.7 56.1 48.4 17.1 110 119 A V H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.962 114.9 44.9 -64.8 -51.0 53.3 50.9 16.9 111 120 A S H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.915 117.4 41.8 -61.5 -47.4 53.3 51.6 20.6 112 121 A F H X S+ 0 0 0 -4,-2.8 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102.0 58.1 -61.4 -21.9 26.8 29.6 22.3 488 497 A L T < 5S- 0 0 33 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.324 121.6-105.4 -92.1 8.4 26.2 28.6 18.7 489 498 A G T < 5S+ 0 0 10 -3,-2.1 100,-2.1 -452,-0.2 99,-0.3 0.808 76.3 137.3 75.2 32.8 27.6 25.1 19.2 490 499 A K < + 0 0 61 -5,-1.5 8,-1.4 98,-0.2 2,-0.3 0.354 59.1 50.4 -94.6 5.3 30.9 25.6 17.5 491 500 A I - 0 0 1 -5,-0.3 2,-0.4 6,-0.2 5,-0.2 -0.829 68.7-138.1-131.7 173.1 33.1 23.8 20.0 492 501 A L B > S-J 495 0D 3 3,-2.4 3,-2.7 -2,-0.3 2,-0.4 -0.984 74.4 -40.2-137.7 121.2 33.1 20.4 21.8 493 502 A Q T 3 S- 0 0 74 -2,-0.4 -456,-1.5 1,-0.3 -2,-0.1 -0.513 125.5 -35.5 57.9-109.9 34.0 20.2 25.5 494 503 A N T 3 S+ 0 0 0 -2,-0.4 -248,-3.1 -458,-0.2 2,-0.3 -0.148 117.5 107.8-128.2 38.2 36.9 22.8 25.4 495 504 A H B < S-J 492 0D 17 -3,-2.7 -3,-2.4 -250,-0.2 2,-2.1 -0.900 77.7-113.2-118.1 148.0 38.2 21.9 21.9 496 505 A M > + 0 0 1 -250,-0.4 3,-1.8 -2,-0.3 -5,-0.2 -0.461 41.8 167.7 -79.1 72.9 37.9 23.8 18.6 497 506 A L T 3 S+ 0 0 1 -2,-2.1 65,-0.3 1,-0.3 -1,-0.2 0.832 75.6 49.6 -56.0 -36.5 35.6 21.3 16.8 498 507 A D T 3 S+ 0 0 9 -8,-1.4 62,-0.3 -155,-0.2 -1,-0.3 0.141 83.0 146.8 -94.5 20.3 34.9 23.8 14.0 499 508 A L < - 0 0 1 -3,-1.8 2,-0.5 -155,-0.2 63,-0.5 -0.127 45.9-135.6 -52.2 145.4 38.6 24.7 13.3 500 509 A R - 0 0 16 -158,-2.1 2,-1.7 60,-0.1 3,-0.2 -0.937 21.4-127.3-100.7 129.2 39.8 25.6 9.8 501 510 A I + 0 0 1 -2,-0.5 55,-0.1 54,-0.3 54,-0.1 -0.612 50.5 153.8 -79.1 86.6 43.2 23.8 9.2 502 511 A S + 0 0 3 -2,-1.7 2,-0.3 53,-0.1 -1,-0.2 0.537 59.0 9.0-100.1 -9.9 45.0 27.0 8.2 503 512 A N S > S- 0 0 5 -3,-0.2 4,-2.0 -362,-0.1 3,-0.2 -0.943 85.6 -90.0-156.8 175.5 48.6 26.1 9.1 504 513 A S H > S+ 0 0 11 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.888 122.1 56.1 -62.9 -37.4 50.7 23.0 10.1 505 514 A K H > S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 110.6 46.6 -57.6 -42.6 50.1 23.6 13.9 506 515 A L H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.842 107.3 56.8 -70.8 -31.9 46.4 23.5 13.2 507 516 A F H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.933 109.2 46.2 -61.6 -47.6 46.7 20.4 11.1 508 517 A W H X S+ 0 0 34 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.882 111.2 52.4 -63.8 -35.2 48.4 18.6 14.0 509 518 A R H X S+ 0 0 14 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.899 109.5 49.8 -65.2 -40.9 45.7 19.9 16.4 510 519 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.933 111.6 47.7 -64.0 -45.0 43.0 18.5 14.1 511 520 A L H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 3,-0.2 0.932 112.2 49.4 -62.6 -45.1 44.6 15.1 13.9 512 521 A A H X S+ 0 0 31 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.858 107.2 55.8 -62.0 -35.6 45.1 15.0 17.7 513 522 A M H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.885 106.8 50.1 -63.9 -38.1 41.4 16.0 18.1 514 523 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.2 5,-0.5 0.913 111.7 47.7 -67.1 -41.6 40.3 12.9 16.0 515 524 A Q H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.931 114.7 47.0 -64.0 -44.6 42.5 10.6 18.1 516 525 A R H < S+ 0 0 66 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.906 120.1 35.6 -62.6 -48.2 41.1 12.1 21.3 517 526 A F H < S+ 0 0 19 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.772 126.4 35.7 -84.0 -26.1 37.4 12.0 20.4 518 527 A S H < S- 0 0 19 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.748 84.9-147.1 -93.6 -32.5 37.3 8.7 18.3 519 528 A G < + 0 0 33 -4,-1.9 -4,-0.1 -5,-0.5 2,-0.1 0.566 53.3 137.5 73.1 9.4 39.9 6.7 20.3 520 529 A Q - 0 0 43 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.410 60.7 -75.0 -87.7 161.5 40.8 5.1 17.0 521 530 A S > - 0 0 45 -2,-0.1 4,-2.4 -3,-0.1 -1,-0.2 -0.043 36.3-115.4 -54.6 155.7 44.3 4.3 15.7 522 531 A K H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 117.8 53.7 -57.8 -41.8 46.7 7.0 14.4 523 532 A A H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 110.3 45.8 -61.3 -45.2 46.5 5.3 10.9 524 533 A R H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 113.8 49.0 -65.8 -39.2 42.6 5.5 10.9 525 534 A C H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.903 111.5 48.1 -70.2 -39.4 42.6 9.1 12.1 526 535 A I H X S+ 0 0 20 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.937 112.7 49.8 -62.6 -48.4 45.2 10.3 9.4 527 536 A E H X S+ 0 0 46 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.927 113.6 45.0 -56.6 -47.3 43.2 8.5 6.7 528 537 A S H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.901 113.8 49.6 -65.9 -40.6 39.9 10.1 7.8 529 538 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.944 114.4 43.5 -63.4 -48.5 41.5 13.5 8.1 530 539 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.899 113.2 52.6 -65.9 -36.9 43.1 13.4 4.7 531 540 A R H X S+ 0 0 94 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.919 112.1 45.6 -63.6 -41.9 39.9 11.9 3.1 532 541 A A H < S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.881 114.0 48.9 -69.0 -38.3 37.9 14.8 4.6 533 542 A I H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.936 118.5 37.5 -64.2 -49.4 40.4 17.5 3.5 534 543 A H H >< S+ 0 0 17 -4,-2.5 3,-2.2 -5,-0.2 -2,-0.2 0.641 91.7 164.5 -82.6 -13.7 40.7 16.3 -0.1 535 544 A F T 3< + 0 0 61 -4,-1.6 -3,-0.0 1,-0.4 -4,-0.0 -0.105 63.4 26.6 -47.6 133.1 37.1 15.3 -0.7 536 545 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.983 110.4 80.8 -86.0 5.6 35.8 14.8 -3.4 537 546 A Q S < S- 0 0 129 -3,-2.2 -3,-0.1 -4,-0.1 3,-0.1 -0.561 86.0-128.1 -69.7 121.7 39.3 13.8 -4.6 538 547 A P - 0 0 93 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.361 30.5 -90.7 -68.5 158.5 39.8 10.2 -3.4 539 548 A L + 0 0 27 4,-0.1 2,-0.3 3,-0.1 -8,-0.0 -0.447 48.5 176.7 -71.6 141.3 42.9 9.3 -1.4 540 549 A S > - 0 0 48 -2,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.849 46.2-103.7-132.7 168.5 46.0 8.2 -3.3 541 550 A D H > S+ 0 0 123 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.861 122.3 56.6 -66.2 -31.3 49.5 7.3 -2.2 542 551 A D H 4 S+ 0 0 140 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.867 109.9 44.6 -66.3 -37.6 50.7 10.7 -3.6 543 552 A I H >4 S+ 0 0 21 2,-0.2 3,-1.2 1,-0.2 -2,-0.2 0.925 111.8 52.2 -71.5 -44.2 48.2 12.5 -1.3 544 553 A R H 3< S+ 0 0 85 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.827 116.5 41.0 -59.2 -33.2 49.1 10.3 1.7 545 554 A A T 3< S+ 0 0 59 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.397 91.1 119.1 -94.9 -1.5 52.8 11.2 1.1 546 555 A A S < S- 0 0 13 -3,-1.2 -3,-0.1 -4,-0.3 5,-0.1 -0.226 74.5 -95.7 -65.6 152.1 52.2 14.9 0.3 547 556 A P >> - 0 0 41 0, 0.0 3,-1.8 0, 0.0 4,-1.1 -0.363 34.0-113.1 -64.6 154.2 53.8 17.7 2.5 548 557 A I H 3> S+ 0 0 12 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.831 116.0 68.4 -56.7 -32.3 51.5 19.0 5.2 549 558 A S H 3> S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.773 95.9 54.4 -57.7 -30.8 51.5 22.4 3.3 550 559 A C H <> S+ 0 0 45 -3,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.934 109.2 46.3 -68.0 -47.8 49.5 20.6 0.5 551 560 A H H X S+ 0 0 0 -4,-1.1 4,-2.7 1,-0.2 -2,-0.2 0.895 113.1 50.3 -61.5 -40.3 46.8 19.5 3.0 552 561 A V H X S+ 0 0 9 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.922 108.7 51.8 -64.1 -44.0 46.7 23.0 4.6 553 562 A Q H < S+ 0 0 128 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.920 115.5 41.2 -60.0 -42.3 46.3 24.6 1.2 554 563 A V H < S+ 0 0 62 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.886 121.9 41.6 -72.1 -38.6 43.3 22.3 0.3 555 564 A A H >< S+ 0 0 0 -4,-2.7 3,-2.1 -5,-0.2 -54,-0.3 0.738 88.7 87.0 -80.3 -29.4 41.8 22.6 3.8 556 565 A H T 3< S+ 0 0 46 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.680 95.8 36.9 -54.3 -30.4 42.1 26.2 4.7 557 566 A E T 3 S+ 0 0 143 -3,-0.4 -1,-0.3 -4,-0.3 2,-0.2 0.344 98.2 103.0-103.5 7.3 38.9 27.6 3.2 558 567 A K < - 0 0 59 -3,-2.1 2,-0.3 -57,-0.1 3,-0.2 -0.547 61.5-138.7 -89.1 152.8 36.8 24.5 4.1 559 568 A E S S+ 0 0 100 -2,-0.2 -60,-0.1 1,-0.2 -59,-0.1 -0.827 72.7 7.3-109.3 150.7 34.3 24.3 6.9 560 569 A Q > + 0 0 74 -2,-0.3 4,-2.2 -62,-0.3 5,-0.2 0.698 69.9 148.8 57.1 29.2 33.6 21.5 9.4 561 570 A V H > S+ 0 0 6 -62,-0.4 4,-2.7 -3,-0.2 5,-0.2 0.918 71.6 48.6 -58.0 -44.9 36.6 19.3 8.3 562 571 A I H > S+ 0 0 0 -63,-0.5 4,-3.1 -65,-0.3 5,-0.2 0.967 111.9 45.9 -65.2 -50.7 37.0 17.9 11.9 563 572 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.884 114.7 49.8 -63.0 -31.2 33.3 17.0 12.5 564 573 A I H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.958 114.8 43.1 -66.8 -48.7 33.1 15.4 9.0 565 574 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.883 117.0 48.4 -62.6 -38.0 36.3 13.3 9.6 566 575 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 -5,-0.2 -2,-0.2 0.927 110.5 48.1 -70.1 -45.1 35.1 12.4 13.2 567 576 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.901 109.0 56.4 -63.1 -35.4 31.6 11.4 12.2 568 577 A S H X>S+ 0 0 7 -4,-2.3 5,-1.4 -5,-0.2 4,-0.8 0.902 112.2 42.0 -60.5 -41.5 33.2 9.2 9.4 569 578 A L H <5S+ 0 0 3 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.916 116.7 46.5 -70.2 -47.5 35.3 7.5 12.1 570 579 A L H <5S+ 0 0 45 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.885 124.9 30.5 -64.9 -44.0 32.5 7.1 14.7 571 580 A F H <5S- 0 0 87 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.485 100.0-130.5 -93.3 -6.3 29.8 5.8 12.2 572 581 A R T <5 + 0 0 210 -4,-0.8 2,-0.2 -5,-0.3 -3,-0.2 0.959 64.1 138.1 52.0 51.9 32.4 4.0 9.9 573 582 A C < - 0 0 27 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.1 -0.703 57.9 -90.6-122.8 172.8 30.7 5.9 7.0 574 583 A S > - 0 0 47 -2,-0.2 4,-2.2 -3,-0.1 5,-0.1 -0.286 41.4-105.2 -76.4 169.9 31.5 7.8 3.8 575 584 A I H > S+ 0 0 7 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.908 121.8 52.9 -62.9 -42.9 32.1 11.5 3.7 576 585 A T H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 110.2 48.0 -62.1 -36.1 28.6 12.1 2.0 577 586 A E H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 112.2 49.6 -68.9 -40.4 27.0 10.1 4.9 578 587 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.919 110.3 50.4 -63.9 -42.6 28.9 12.2 7.5 579 588 A Q H X S+ 0 0 77 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.872 110.1 50.8 -62.6 -37.2 27.9 15.4 5.7 580 589 A A H X S+ 0 0 60 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.932 109.4 49.8 -67.1 -44.1 24.2 14.2 5.8 581 590 A H H < S+ 0 0 80 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.908 113.7 46.7 -57.7 -45.5 24.4 13.4 9.6 582 591 A L H >< S+ 0 0 9 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.905 109.5 53.2 -63.9 -43.8 25.9 16.9 10.2 583 592 A A H 3< S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.793 105.0 55.9 -61.6 -32.6 23.2 18.7 8.0 584 593 A A T 3< S+ 0 0 94 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.529 98.0 80.0 -77.7 -10.4 20.4 17.0 10.0 585 594 A A S < S- 0 0 29 -3,-1.3 3,-0.1 -4,-0.4 4,-0.0 -0.672 81.3-127.2-100.1 154.2 21.8 18.4 13.4 586 595 A P S S- 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.772 90.5 -4.6 -69.8 -25.0 21.3 22.0 14.9 587 596 A S > - 0 0 23 1,-0.1 4,-2.4 -5,-0.0 5,-0.1 -0.971 69.9-106.5-157.3 166.3 25.1 22.4 15.3 588 597 A V H > S+ 0 0 5 -99,-0.3 4,-2.3 -2,-0.3 5,-0.2 0.878 120.8 57.1 -64.9 -36.6 28.5 20.5 15.0 589 598 A C H > S+ 0 0 1 -100,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.946 110.6 42.3 -57.2 -51.8 28.5 20.3 18.8 590 599 A E H > S+ 0 0 55 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.887 111.9 53.7 -66.4 -39.7 25.1 18.5 18.8 591 600 A A H X S+ 0 0 10 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.926 114.8 40.6 -60.4 -45.1 25.9 16.2 15.9 592 601 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.911 113.7 52.0 -72.3 -41.7 29.1 15.0 17.5 593 602 A R H X S+ 0 0 102 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.901 111.0 49.5 -59.6 -40.1 27.6 14.7 21.1 594 603 A S H < S+ 0 0 92 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.887 112.1 47.4 -64.8 -41.6 24.8 12.6 19.6 595 604 A A H < S+ 0 0 24 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.812 111.1 51.4 -69.9 -33.7 27.3 10.3 17.8 596 605 A L H < 0 0 73 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.711 360.0 360.0 -75.3 -23.0 29.4 9.9 20.9 597 606 A A < 0 0 127 -4,-1.2 -2,-0.2 -3,-0.2 -3,-0.2 0.895 360.0 360.0 -91.4 360.0 26.3 8.9 23.0