==== 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 4BBA . 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 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 8.9 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 . 29 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 248 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 2 0 2 1 0 2 3 2 0 1 2 0 1 1 1 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 3 3 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 . 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 5 A R 0 0 144 0, 0.0 3,-0.2 0, 0.0 547,-0.1 0.000 360.0 360.0 360.0 -36.2 55.4 12.7 7.5 2 6 A F > + 0 0 30 1,-0.1 3,-1.5 2,-0.1 524,-0.0 0.256 360.0 111.6-109.8 8.7 53.5 11.2 10.5 3 7 A Q T 3 S+ 0 0 190 1,-0.3 -1,-0.1 3,-0.0 205,-0.0 0.811 76.3 54.9 -52.4 -41.5 56.5 9.6 12.5 4 8 A H T 3 S+ 0 0 74 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.645 84.3 104.6 -69.2 -19.0 56.3 12.1 15.4 5 9 A V < - 0 0 17 -3,-1.5 2,-0.2 1,-0.1 517,-0.1 -0.545 69.7-137.3 -69.0 121.8 52.5 11.3 15.9 6 10 A I - 0 0 74 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.1 -0.591 26.0 -99.9 -81.6 142.3 52.1 9.0 19.0 7 11 A E - 0 0 97 -2,-0.2 12,-0.1 1,-0.1 -1,-0.1 -0.247 43.8 -97.5 -59.1 145.9 49.7 6.0 18.8 8 12 A T - 0 0 7 1,-0.1 -1,-0.1 512,-0.1 514,-0.1 -0.480 45.4-112.0 -63.8 130.3 46.2 6.5 20.4 9 13 A P - 0 0 18 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.366 36.4 -99.1 -65.3 150.5 46.2 5.0 23.9 10 14 A E > - 0 0 124 3,-0.2 3,-2.3 1,-0.2 4,-0.1 -0.211 59.7 -68.7 -62.9 155.3 44.0 1.9 24.4 11 15 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 508,-0.0 -0.287 123.9 6.5 -55.9 126.6 40.5 2.5 26.0 12 16 A G T 3 S+ 0 0 63 -3,-0.1 3,-0.3 1,-0.0 -2,-0.1 0.221 107.9 95.2 86.4 -10.5 40.9 3.5 29.7 13 17 A K < + 0 0 141 -3,-2.3 -3,-0.2 1,-0.2 3,-0.0 0.017 52.5 97.1 -99.6 25.5 44.7 3.8 29.4 14 18 A W > + 0 0 44 -5,-0.1 3,-1.7 1,-0.1 6,-0.4 0.876 63.4 77.0 -77.8 -44.1 44.8 7.6 28.6 15 19 A E T 3 S+ 0 0 175 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.785 113.0 15.2 -34.4 -59.4 45.6 8.8 32.2 16 20 A L T 3 S+ 0 0 172 4,-0.1 -1,-0.3 -3,-0.0 -2,-0.1 0.030 95.6 140.0-113.3 24.2 49.3 8.0 32.4 17 21 A S <> - 0 0 18 -3,-1.7 4,-1.8 1,-0.1 5,-0.1 -0.321 62.0-128.7 -70.9 151.2 49.9 7.5 28.6 18 22 A G H > S+ 0 0 52 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.789 111.3 64.5 -64.4 -27.3 53.0 8.8 26.8 19 23 A Y H >4 S+ 0 0 19 2,-0.2 3,-0.5 1,-0.2 4,-0.4 0.949 105.4 40.8 -58.6 -54.5 50.4 10.3 24.4 20 24 A E H >4 S+ 0 0 56 -6,-0.4 3,-1.1 1,-0.2 -2,-0.2 0.866 110.7 57.5 -64.9 -38.4 49.1 12.6 27.2 21 25 A A H 3< S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.761 105.2 52.8 -61.6 -29.6 52.6 13.4 28.6 22 26 A A T << S+ 0 0 51 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.499 78.3 110.0 -86.6 -9.8 53.6 14.7 25.1 23 27 A V S < S- 0 0 21 -3,-1.1 5,-0.1 -4,-0.4 181,-0.0 -0.579 76.3-120.4 -68.0 119.1 50.7 17.2 24.7 24 28 A P >> - 0 0 31 0, 0.0 3,-1.8 0, 0.0 4,-1.2 -0.333 17.6-117.5 -60.2 146.4 52.3 20.7 25.0 25 29 A I G >4 S+ 0 0 47 1,-0.3 3,-0.8 2,-0.2 218,-0.2 0.885 117.0 58.0 -49.5 -43.1 50.9 22.9 27.8 26 30 A T G 34 S+ 0 0 10 1,-0.2 221,-0.8 216,-0.2 217,-0.3 0.717 112.2 40.6 -60.6 -23.9 49.6 25.4 25.1 27 31 A E G <4 S+ 0 0 39 -3,-1.8 -1,-0.2 219,-0.1 -2,-0.2 0.532 93.8 112.7-100.0 -13.8 47.6 22.5 23.5 28 32 A K S << S- 0 0 55 -4,-1.2 219,-0.4 -3,-0.8 2,-0.4 -0.176 73.8-109.3 -63.6 153.0 46.3 20.9 26.7 29 33 A S - 0 0 34 217,-0.1 215,-0.1 213,-0.1 -1,-0.1 -0.685 34.2-121.3 -79.9 130.7 42.7 20.9 27.9 30 34 A N > - 0 0 2 213,-0.6 3,-1.6 -2,-0.4 4,-0.2 -0.665 13.2-141.5 -74.7 125.5 42.2 23.2 30.9 31 35 A P T 3 S+ 0 0 93 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.702 99.4 55.1 -62.4 -17.2 40.8 21.0 33.8 32 36 A L T 3 S+ 0 0 88 1,-0.2 3,-0.2 2,-0.1 212,-0.1 0.554 107.2 47.4 -90.7 -10.8 38.6 23.9 34.8 33 37 A T X + 0 0 0 -3,-1.6 3,-2.0 1,-0.1 4,-0.2 0.128 65.0 116.7-120.5 23.9 36.8 24.4 31.5 34 38 A Q T 3 S+ 0 0 119 -3,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.715 83.2 51.3 -62.9 -18.9 35.8 20.8 30.4 35 39 A D T >> S+ 0 0 97 -3,-0.2 4,-0.6 1,-0.2 3,-0.6 0.146 75.8 110.0-101.1 11.5 32.1 22.0 30.6 36 40 A L G X4 + 0 0 0 -3,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.883 67.1 64.5 -56.8 -43.0 32.7 25.1 28.4 37 41 A D G 34 S+ 0 0 23 456,-1.6 452,-0.2 -3,-0.3 -1,-0.2 0.799 113.3 30.4 -52.4 -39.2 30.6 23.7 25.4 38 42 A K G <4 S+ 0 0 124 -3,-0.6 -1,-0.3 455,-0.1 -2,-0.2 0.371 91.4 120.2-106.5 6.0 27.3 23.7 27.3 39 43 A A << - 0 0 18 -3,-1.1 -3,-0.0 -4,-0.6 2,-0.0 -0.394 62.4-122.6 -70.3 143.5 27.9 26.6 29.7 40 44 A D > - 0 0 82 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.257 37.9 -89.5 -77.1 173.5 25.4 29.6 29.5 41 45 A A H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.882 127.8 48.0 -51.9 -47.4 26.7 33.2 28.8 42 46 A E H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.888 113.7 47.8 -62.9 -40.8 27.3 34.1 32.5 43 47 A N H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.867 108.2 54.6 -69.6 -36.1 29.1 30.8 33.1 44 48 A I H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.924 107.5 51.0 -62.2 -43.8 31.3 31.3 30.0 45 49 A V H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.915 111.8 47.2 -59.4 -43.6 32.4 34.7 31.4 46 50 A R H X S+ 0 0 151 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.895 114.9 46.2 -65.2 -40.5 33.3 33.1 34.8 47 51 A L H X S+ 0 0 27 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.936 118.2 40.3 -66.5 -50.3 35.2 30.2 33.0 48 52 A L H X S+ 0 0 3 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.866 114.4 53.5 -69.0 -36.7 37.1 32.5 30.6 49 53 A G H X S+ 0 0 5 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.900 108.0 50.8 -61.9 -42.0 37.7 35.2 33.4 50 54 A Q H X S+ 0 0 72 -4,-2.0 4,-0.9 -5,-0.2 -2,-0.2 0.917 111.5 48.3 -61.8 -45.2 39.2 32.5 35.6 51 55 A C H >< S+ 0 0 3 -4,-1.8 3,-0.7 1,-0.2 4,-0.4 0.899 109.1 52.3 -63.3 -42.4 41.5 31.4 32.8 52 56 A D H >< S+ 0 0 4 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.857 106.2 55.0 -61.7 -35.8 42.6 35.0 32.0 53 57 A A H >X S+ 0 0 20 -4,-1.9 3,-1.3 1,-0.2 4,-0.6 0.749 91.7 76.0 -67.0 -27.9 43.5 35.4 35.8 54 58 A E T << S+ 0 0 21 -4,-0.9 3,-0.5 -3,-0.7 -1,-0.2 0.733 79.4 68.6 -58.8 -28.1 45.8 32.4 35.6 55 59 A I T <4 S+ 0 0 0 -3,-0.9 10,-0.4 -4,-0.4 -1,-0.2 0.809 105.6 42.3 -62.1 -29.6 48.6 34.3 33.8 56 60 A F T <4 S+ 0 0 4 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.605 85.3 118.4 -89.0 -20.2 49.2 36.3 37.0 57 61 A Q < 0 0 89 -4,-0.6 8,-0.3 -3,-0.5 9,-0.2 -0.369 360.0 360.0 -60.5 118.2 48.9 33.4 39.4 58 62 A E 0 0 107 -2,-0.2 6,-0.2 6,-0.1 -1,-0.2 0.713 360.0 360.0 -75.3 360.0 52.2 32.9 41.3 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 68 A S 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.2 54.4 25.6 42.9 61 69 A T > + 0 0 95 2,-0.1 3,-1.5 3,-0.0 6,-0.1 0.434 360.0 141.5 -95.1 -3.4 56.0 28.9 42.0 62 70 A Y T 3 S- 0 0 178 1,-0.3 177,-0.1 5,-0.1 5,-0.0 -0.205 78.8 -23.0 -52.2 118.9 58.3 27.3 39.2 63 71 A Q T 3 S+ 0 0 36 1,-0.2 176,-2.8 175,-0.1 -1,-0.3 0.533 92.5 150.5 55.7 18.0 58.7 29.4 36.1 64 72 A R B X -a 239 0A 44 -3,-1.5 3,-1.7 174,-0.2 6,-0.4 -0.237 64.8 -99.7 -71.7 166.0 55.5 31.5 36.6 65 73 A L T 3 S+ 0 0 1 174,-0.6 -1,-0.1 -10,-0.4 -9,-0.1 0.851 125.8 46.0 -55.1 -36.3 55.4 35.1 35.3 66 74 A Y T 3 S+ 0 0 7 -9,-0.2 -1,-0.3 -10,-0.1 -8,-0.1 0.414 88.3 120.6 -86.2 -3.2 56.1 36.4 38.9 67 75 A S S <> S- 0 0 13 -3,-1.7 4,-2.5 1,-0.1 5,-0.2 -0.328 73.1-123.1 -65.1 149.1 59.0 33.9 39.5 68 76 A E H > S+ 0 0 147 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.852 112.3 56.7 -56.7 -40.2 62.5 35.3 40.2 69 77 A S H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 111.1 40.8 -59.2 -50.3 63.8 33.2 37.2 70 78 A I H > S+ 0 0 1 -6,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.921 115.4 50.0 -65.9 -48.1 61.4 34.9 34.7 71 79 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.888 109.8 52.0 -60.3 -38.1 61.8 38.4 36.2 72 80 A T H X S+ 0 0 49 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.902 109.6 49.2 -63.2 -43.3 65.7 38.0 36.0 73 81 A T H X S+ 0 0 13 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.911 110.7 50.6 -62.2 -41.6 65.4 37.0 32.3 74 82 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.888 109.6 50.7 -61.6 -41.8 63.2 40.1 31.7 75 83 A V H X S+ 0 0 41 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.913 112.0 47.4 -60.6 -47.9 65.8 42.3 33.5 76 84 A Q H X S+ 0 0 62 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.903 113.4 46.8 -63.0 -41.8 68.6 40.8 31.2 77 85 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.926 111.1 52.1 -66.9 -42.8 66.5 41.3 28.0 78 86 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.902 106.9 55.0 -58.5 -40.7 65.7 44.9 29.1 79 87 A G H X S+ 0 0 26 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.881 110.0 45.4 -57.1 -43.6 69.5 45.4 29.6 80 88 A K H X S+ 0 0 44 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.869 112.4 50.6 -70.1 -39.7 70.1 44.3 26.0 81 89 A V H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-1.0 0.930 106.8 53.5 -65.3 -45.7 67.2 46.5 24.6 82 90 A Q H 3X S+ 0 0 24 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.808 101.3 61.1 -62.0 -26.6 68.5 49.7 26.4 83 91 A E H 3< S+ 0 0 94 -4,-1.1 4,-0.5 -5,-0.2 -1,-0.3 0.851 109.8 42.1 -64.8 -35.0 71.9 49.1 24.8 84 92 A V H X< S+ 0 0 2 -3,-1.0 3,-0.7 -4,-0.9 -2,-0.2 0.877 111.5 53.4 -77.4 -43.5 70.2 49.5 21.3 85 93 A L H 3< S+ 0 0 15 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.846 107.4 53.3 -59.8 -36.0 68.0 52.4 22.4 86 94 A K T 3< S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.714 114.0 43.2 -69.6 -26.3 71.2 54.3 23.6 87 95 A E < + 0 0 128 -3,-0.7 -1,-0.3 -4,-0.5 76,-0.1 -0.677 65.4 165.0-119.9 71.8 72.7 53.7 20.1 88 96 A P > + 0 0 44 0, 0.0 3,-1.8 0, 0.0 2,-0.5 0.809 51.9 93.9 -60.8 -30.1 70.0 54.5 17.5 89 97 A D T 3 S- 0 0 114 1,-0.3 3,-0.1 72,-0.1 72,-0.0 -0.530 111.8 -4.6 -67.0 110.9 72.5 54.8 14.6 90 98 A G T 3 S+ 0 0 18 -2,-0.5 73,-2.5 1,-0.3 72,-2.3 0.500 110.0 128.3 80.0 8.2 72.4 51.3 13.1 91 99 A G E < +b 163 0B 2 -3,-1.8 2,-0.3 71,-0.2 -1,-0.3 -0.674 30.0 170.6 -96.9 149.3 70.1 50.1 15.9 92 100 A L E -b 164 0B 16 71,-1.5 73,-2.7 -2,-0.3 2,-0.5 -0.962 24.1-155.3-158.3 139.0 66.8 48.2 15.5 93 101 A V E -bc 165 125B 0 31,-2.8 33,-2.2 -2,-0.3 2,-0.4 -0.978 20.8-168.6-116.2 115.6 64.3 46.3 17.6 94 102 A V E -bc 166 126B 0 71,-3.5 73,-3.5 -2,-0.5 2,-0.4 -0.913 8.2-167.1-107.7 130.4 62.3 43.7 15.6 95 103 A L E -bc 167 127B 0 31,-2.0 33,-2.2 -2,-0.4 2,-0.3 -0.960 20.1-178.4-113.0 132.6 59.2 42.0 17.0 96 104 A S E +bc 168 128B 0 71,-2.8 73,-3.5 -2,-0.4 2,-0.3 -0.983 14.2 117.4-140.0 150.1 58.1 39.0 14.9 97 105 A G E -bc 169 129B 0 31,-1.8 33,-1.8 -2,-0.3 2,-0.3 -0.973 45.9 -98.6 176.4 177.5 55.4 36.3 14.8 98 106 A G S >> S- 0 0 7 71,-0.5 3,-1.2 -2,-0.3 4,-0.7 -0.864 80.9 -15.4-115.0 152.6 52.5 34.6 13.0 99 107 A G H 3> S- 0 0 12 -2,-0.3 4,-2.1 31,-0.3 3,-0.3 -0.260 134.8 -5.8 58.2-135.6 48.8 35.2 13.6 100 108 A T H 3> S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.842 137.7 56.8 -60.1 -34.6 48.0 36.9 17.0 101 109 A S H <> S+ 0 0 16 -3,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.913 109.6 45.6 -63.1 -40.5 51.7 36.7 17.9 102 110 A G H X S+ 0 0 0 -4,-0.7 4,-2.0 -3,-0.3 -2,-0.2 0.857 112.5 50.1 -68.0 -36.3 52.4 38.6 14.7 103 111 A R H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.833 109.6 51.5 -73.0 -29.2 49.6 41.1 15.4 104 112 A M H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.897 108.2 51.7 -69.6 -41.0 51.0 41.6 19.0 105 113 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.919 111.1 48.7 -58.0 -44.7 54.4 42.3 17.4 106 114 A F H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.954 113.3 46.1 -59.0 -53.9 52.6 44.9 15.2 107 115 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.898 111.1 52.1 -57.5 -46.3 50.9 46.4 18.2 108 116 A M H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.914 110.6 48.1 -56.9 -45.8 54.2 46.5 20.3 109 117 A S H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.895 112.7 48.9 -63.1 -40.9 56.0 48.3 17.4 110 118 A V H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.952 115.2 44.3 -61.1 -52.8 53.1 50.9 17.1 111 119 A S H X S+ 0 0 3 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.914 117.4 43.0 -60.0 -49.9 53.0 51.5 20.9 112 120 A F H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.834 112.6 50.8 -74.1 -29.1 56.8 51.8 21.4 113 121 A N H X S+ 0 0 33 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.853 111.2 51.1 -71.6 -33.1 57.4 53.9 18.3 114 122 A Q H X S+ 0 0 80 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.920 109.0 50.4 -66.2 -43.8 54.6 56.2 19.6 115 123 A L H X S+ 0 0 4 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.923 114.5 44.8 -56.9 -47.4 56.4 56.4 23.0 116 124 A M H <>S+ 0 0 5 -4,-2.1 5,-3.0 2,-0.2 3,-0.4 0.896 112.7 49.7 -64.6 -44.3 59.7 57.3 21.2 117 125 A K H ><5S+ 0 0 136 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.894 107.4 55.8 -61.8 -42.5 58.0 59.9 18.9 118 126 A G H 3<5S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.747 108.7 47.3 -60.6 -29.0 56.3 61.5 21.9 119 127 A L T 3<5S- 0 0 83 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.295 121.2-110.1 -95.7 7.3 59.8 61.9 23.5 120 128 A G T < 5S+ 0 0 72 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.738 73.7 136.4 69.3 28.3 61.2 63.4 20.2 121 129 A Q < - 0 0 59 -5,-3.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.765 64.6 -99.6-105.2 151.0 63.3 60.3 19.5 122 130 A K - 0 0 114 -2,-0.3 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2,-0.4 6,-0.2 5,-0.2 -0.876 68.9-139.0-134.9 169.2 33.0 23.6 20.2 492 500 A L B > S-J 495 0D 3 3,-2.3 3,-2.7 -2,-0.3 2,-0.4 -0.988 74.3 -39.5-135.1 122.0 33.1 20.2 22.0 493 501 A Q T 3 S- 0 0 79 -2,-0.4 -456,-1.6 1,-0.3 -455,-0.1 -0.521 125.3 -36.1 60.4-108.8 34.0 20.0 25.7 494 502 A N T 3 S+ 0 0 0 -2,-0.4 -248,-3.0 -458,-0.2 2,-0.3 -0.142 117.4 108.2-128.8 37.0 36.9 22.6 25.6 495 503 A H B < S-J 492 0D 16 -3,-2.7 -3,-2.3 -250,-0.2 2,-2.0 -0.905 77.0-114.1-118.5 145.5 38.1 21.7 22.0 496 504 A M > + 0 0 1 -250,-0.4 3,-1.4 -2,-0.3 -5,-0.2 -0.484 42.7 165.1 -77.0 75.3 37.8 23.6 18.7 497 505 A L T 3 S+ 0 0 0 -2,-2.0 65,-0.3 1,-0.3 -1,-0.2 0.838 75.7 50.4 -61.4 -34.5 35.6 21.1 16.9 498 506 A D T 3 S+ 0 0 10 -8,-1.4 62,-0.3 -155,-0.2 -1,-0.3 0.192 84.0 143.5 -91.2 16.1 34.7 23.7 14.2 499 507 A L < - 0 0 1 -3,-1.4 2,-0.5 -155,-0.2 63,-0.4 -0.128 48.1-133.2 -55.9 145.9 38.4 24.6 13.5 500 508 A R - 0 0 19 -158,-2.1 2,-1.8 60,-0.1 3,-0.2 -0.915 19.7-127.2-100.3 128.1 39.7 25.5 10.0 501 509 A I + 0 0 1 -2,-0.5 55,-0.2 54,-0.4 57,-0.1 -0.615 52.6 150.7 -78.9 83.6 43.0 23.6 9.1 502 510 A S + 0 0 9 -2,-1.8 -360,-0.3 53,-0.1 2,-0.3 0.520 60.7 10.4 -98.7 -9.0 44.8 26.8 8.2 503 511 A N S > S- 0 0 3 -3,-0.2 4,-1.7 -362,-0.1 -361,-0.1 -0.920 86.4 -91.0-157.2 173.3 48.4 25.9 9.1 504 512 A S H > S+ 0 0 12 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.887 122.3 56.1 -61.3 -40.6 50.5 22.8 10.1 505 513 A K H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 109.8 47.1 -56.6 -42.8 49.9 23.4 13.9 506 514 A L H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.839 107.7 56.1 -69.7 -32.3 46.1 23.3 13.2 507 515 A F H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.922 110.5 44.5 -62.2 -46.6 46.5 20.1 11.1 508 516 A W H X S+ 0 0 35 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.866 112.3 52.2 -67.9 -34.1 48.2 18.4 14.1 509 517 A R H X S+ 0 0 18 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.895 109.7 49.6 -66.4 -40.7 45.5 19.7 16.4 510 518 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.913 111.7 48.3 -64.5 -42.1 42.8 18.4 14.2 511 519 A L H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 3,-0.3 0.931 111.4 49.7 -64.1 -45.4 44.5 14.9 14.0 512 520 A A H X S+ 0 0 31 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.838 107.8 54.9 -60.5 -38.4 44.9 14.9 17.9 513 521 A M H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.846 107.1 50.1 -64.1 -38.0 41.2 15.8 18.3 514 522 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.3 5,-0.4 0.913 112.2 46.7 -67.0 -43.2 40.1 12.8 16.1 515 523 A Q H X S+ 0 0 3 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.896 115.9 47.0 -63.7 -42.5 42.3 10.4 18.2 516 524 A R H < S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.917 119.0 37.4 -65.8 -48.6 40.9 12.0 21.4 517 525 A F H < S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.726 126.9 32.7 -82.3 -23.4 37.2 11.9 20.4 518 526 A S H < S- 0 0 21 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.710 85.1-145.1-100.5 -30.2 37.1 8.6 18.5 519 527 A G < + 0 0 37 -4,-1.6 -4,-0.1 -5,-0.4 -3,-0.1 0.525 54.1 137.0 73.4 7.9 39.7 6.6 20.5 520 528 A Q - 0 0 31 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.392 60.8 -75.0 -85.7 161.8 40.7 4.9 17.2 521 529 A S > - 0 0 45 -2,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.066 36.6-114.5 -55.2 154.0 44.2 4.2 15.9 522 530 A K H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.876 117.9 53.7 -57.4 -39.2 46.5 6.9 14.5 523 531 A A H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 110.9 45.8 -63.6 -41.0 46.4 5.2 11.0 524 532 A R H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.878 114.2 47.7 -69.3 -40.5 42.5 5.3 11.0 525 533 A C H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.904 112.4 48.5 -68.6 -41.1 42.4 8.9 12.2 526 534 A I H X S+ 0 0 18 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.930 112.5 49.8 -61.7 -47.4 45.0 10.1 9.6 527 535 A E H X S+ 0 0 49 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.922 113.5 45.0 -58.5 -47.9 43.1 8.2 6.8 528 536 A S H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.877 113.3 50.1 -65.8 -39.9 39.8 9.9 7.9 529 537 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.938 113.9 44.3 -63.9 -47.3 41.3 13.3 8.2 530 538 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.881 113.1 51.8 -64.8 -38.3 43.0 13.2 4.7 531 539 A R H X S+ 0 0 87 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.908 112.5 45.8 -63.4 -43.7 39.8 11.7 3.2 532 540 A A H < S+ 0 0 6 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.876 114.1 48.4 -67.9 -39.7 37.7 14.6 4.7 533 541 A I H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.937 118.9 37.4 -63.6 -51.2 40.2 17.3 3.6 534 542 A H H >< S+ 0 0 17 -4,-2.4 3,-2.2 -5,-0.1 -2,-0.2 0.597 90.9 162.8 -82.0 -14.7 40.6 16.1 -0.0 535 543 A F T 3< + 0 0 62 -4,-1.4 -3,-0.0 1,-0.4 -4,-0.0 -0.161 63.6 28.9 -47.5 134.4 36.9 15.1 -0.6 536 544 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.991 111.5 79.3 -80.0 -0.2 35.6 14.6 -3.4 537 545 A Q S < S- 0 0 127 -3,-2.2 -3,-0.1 -4,-0.1 3,-0.1 -0.560 85.9-130.9 -68.1 120.4 39.1 13.6 -4.5 538 546 A P - 0 0 92 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.380 29.8 -90.4 -69.8 159.4 39.6 10.0 -3.2 539 547 A L + 0 0 27 4,-0.1 2,-0.3 -2,-0.1 -8,-0.0 -0.503 48.5 175.7 -74.8 135.5 42.8 9.1 -1.2 540 548 A S > - 0 0 47 -2,-0.2 4,-2.2 -3,-0.1 3,-0.2 -0.812 47.0-102.4-127.3 167.6 45.8 7.9 -3.2 541 549 A D H > S+ 0 0 124 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.841 122.7 56.8 -62.4 -32.8 49.3 7.0 -2.1 542 550 A D H 4 S+ 0 0 140 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.866 108.9 45.4 -65.5 -38.7 50.5 10.4 -3.5 543 551 A I H >4 S+ 0 0 21 -3,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.920 111.7 51.5 -70.8 -43.7 48.0 12.3 -1.2 544 552 A R H 3< S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.822 116.8 41.4 -60.2 -33.9 49.0 10.1 1.8 545 553 A A T 3< S+ 0 0 59 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.444 91.1 117.0 -93.7 -4.1 52.7 11.0 1.1 546 554 A A S < S- 0 0 14 -3,-0.9 5,-0.1 -4,-0.5 -3,-0.1 -0.220 75.8 -96.1 -63.1 152.6 52.1 14.7 0.3 547 555 A P >> - 0 0 38 0, 0.0 3,-1.3 0, 0.0 4,-1.0 -0.316 34.0-111.3 -66.4 157.0 53.6 17.4 2.5 548 556 A I H 3> S+ 0 0 12 1,-0.3 4,-2.6 2,-0.2 3,-0.2 0.835 117.0 67.3 -57.2 -32.9 51.3 18.9 5.3 549 557 A S H 3> S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.807 96.6 54.9 -56.6 -34.1 51.3 22.2 3.3 550 558 A C H <> S+ 0 0 39 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.920 110.0 44.7 -65.8 -46.4 49.3 20.4 0.5 551 559 A H H X S+ 0 0 0 -4,-1.0 4,-3.1 2,-0.2 -2,-0.2 0.909 114.1 50.3 -63.1 -43.7 46.6 19.2 3.0 552 560 A V H X S+ 0 0 9 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.922 108.1 52.3 -59.9 -48.4 46.5 22.7 4.6 553 561 A Q H < S+ 0 0 145 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.869 117.5 38.5 -56.2 -41.6 46.1 24.4 1.1 554 562 A V H < S+ 0 0 60 -4,-1.7 3,-0.4 1,-0.1 -2,-0.2 0.898 121.4 44.8 -76.3 -44.1 43.1 22.1 0.4 555 563 A A H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.2 -54,-0.4 0.782 91.0 82.1 -70.3 -36.7 41.6 22.2 4.0 556 564 A H T 3< S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.715 97.1 38.5 -47.9 -36.5 41.9 26.0 4.8 557 565 A E T 3 S+ 0 0 145 -3,-0.4 -1,-0.3 -4,-0.3 2,-0.2 0.512 98.8 100.2 -95.3 -3.4 38.7 27.2 3.0 558 566 A K < - 0 0 60 -3,-1.7 2,-0.3 -4,-0.2 3,-0.3 -0.533 63.2-138.8 -85.5 145.9 36.7 24.1 4.0 559 567 A E S S+ 0 0 105 -2,-0.2 -60,-0.1 1,-0.2 -59,-0.1 -0.754 72.7 6.2-104.9 151.1 34.2 24.0 6.9 560 568 A Q > + 0 0 72 -62,-0.3 4,-2.1 -2,-0.3 5,-0.2 0.730 69.2 151.6 54.0 35.7 33.6 21.3 9.6 561 569 A V H > S+ 0 0 4 -62,-0.4 4,-2.8 -3,-0.3 5,-0.2 0.913 70.8 50.4 -59.4 -45.4 36.5 19.0 8.5 562 570 A I H > S+ 0 0 0 -63,-0.4 4,-3.0 -65,-0.3 5,-0.2 0.957 112.0 43.7 -62.3 -55.0 36.9 17.6 12.0 563 571 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.877 115.6 50.2 -61.5 -34.4 33.2 16.6 12.7 564 572 A I H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.966 115.6 41.8 -63.2 -51.3 32.9 15.2 9.1 565 573 A A H X S+ 0 0 0 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.860 117.8 49.0 -62.5 -36.3 36.2 13.1 9.7 566 574 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 3,-0.2 0.932 110.4 47.4 -69.7 -48.7 35.0 12.2 13.2 567 575 A L H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 6,-0.3 0.853 109.5 56.4 -61.7 -34.2 31.4 11.1 12.2 568 576 A S H X>S+ 0 0 7 -4,-2.0 5,-1.0 -5,-0.2 4,-0.8 0.874 112.6 41.3 -63.6 -38.6 33.1 9.0 9.5 569 577 A L H <5S+ 0 0 4 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.920 117.2 46.8 -73.0 -48.0 35.2 7.3 12.2 570 578 A L H <5S+ 0 0 48 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.820 125.7 29.1 -64.8 -38.1 32.3 6.9 14.7 571 579 A F H <5S- 0 0 87 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.476 98.8-129.3-101.7 -6.2 29.7 5.6 12.2 572 580 A R T <5 + 0 0 179 -4,-0.8 2,-0.2 -5,-0.2 -3,-0.2 0.942 64.5 139.0 52.9 49.6 32.2 3.9 9.8 573 581 A C < - 0 0 21 -5,-1.0 -1,-0.2 -6,-0.3 -2,-0.1 -0.665 57.1 -91.6-118.6 172.7 30.4 5.8 7.0 574 582 A S > - 0 0 45 -2,-0.2 4,-2.2 -3,-0.1 -1,-0.1 -0.288 40.6-106.3 -77.3 169.5 31.3 7.7 3.8 575 583 A I H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.913 121.9 53.3 -62.9 -43.8 31.9 11.5 3.7 576 584 A T H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.872 110.4 46.7 -59.7 -39.7 28.4 12.0 2.1 577 585 A E H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 113.3 49.0 -68.5 -40.3 26.7 10.0 4.9 578 586 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.885 110.6 50.7 -64.9 -40.3 28.7 12.0 7.5 579 587 A Q H X S+ 0 0 83 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.850 110.5 49.8 -64.4 -38.0 27.7 15.3 5.8 580 588 A A H X S+ 0 0 61 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.938 110.2 49.7 -65.7 -48.2 24.0 14.2 5.9 581 589 A H H < S+ 0 0 88 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.892 114.2 46.0 -54.3 -47.5 24.3 13.3 9.6 582 590 A L H >< S+ 0 0 12 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.832 109.3 53.8 -66.9 -39.5 25.8 16.8 10.3 583 591 A A H 3< S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.789 105.7 54.7 -66.9 -31.2 23.2 18.7 8.1 584 592 A A T 3< S+ 0 0 91 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.626 96.0 85.4 -76.9 -17.6 20.3 17.1 10.1 585 593 A A S < S- 0 0 28 -3,-0.7 3,-0.1 -4,-0.5 6,-0.0 -0.559 78.5-131.8 -88.2 150.6 21.8 18.3 13.5 586 594 A P S S+ 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.788 88.5 3.3 -70.9 -26.2 21.1 21.8 15.1 587 595 A S S > S- 0 0 26 1,-0.1 4,-1.8 -97,-0.0 -98,-0.1 -0.952 70.1-111.4-151.0 167.3 24.9 22.3 15.8 588 596 A V H > S+ 0 0 7 -99,-0.4 4,-1.6 -2,-0.3 5,-0.2 0.862 118.6 54.0 -69.9 -35.2 28.3 20.7 15.3 589 597 A C H > S+ 0 0 3 -100,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.935 111.4 43.9 -62.6 -51.5 28.5 20.1 19.1 590 598 A E H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.812 108.3 57.7 -66.1 -36.0 25.1 18.2 19.2 591 599 A A H X S+ 0 0 10 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.925 114.3 38.1 -60.0 -47.3 25.9 16.1 16.0 592 600 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.888 114.3 54.2 -72.9 -41.2 29.0 14.6 17.6 593 601 A R H < S+ 0 0 113 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.900 109.6 48.9 -58.8 -41.9 27.5 14.4 21.1 594 602 A S H < S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.813 113.5 47.3 -65.6 -33.8 24.6 12.3 19.6 595 603 A A H < 0 0 20 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.837 360.0 360.0 -75.6 -37.4 27.2 10.1 17.8 596 604 A L < 0 0 106 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.728 360.0 360.0 -74.6 360.0 29.3 9.7 21.0