==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-JAN-10 3LJK . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS; . AUTHOR J.OSIPIUK,N.MALTSEVA,J.HASSEMAN,W.F.ANDERSON,A.JOACHIMIAK, . 543 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 30 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 1 1 1 4 1 1 2 2 0 2 0 2 0 0 1 0 3 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 2 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 PARALLEL BRIDGES PER LADDER . 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 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 -2 A S 0 0 74 0, 0.0 494,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.6 67.2 76.0 14.4 2 -1 A N + 0 0 177 2,-0.1 3,-0.1 3,-0.0 0, 0.0 0.424 360.0 119.7 -91.2 1.2 70.5 75.2 12.4 3 0 A A S S- 0 0 46 1,-0.1 63,-0.1 492,-0.1 2,-0.1 -0.286 77.0 -92.6 -69.4 149.9 68.6 73.2 9.8 4 1 A X - 0 0 58 61,-0.1 2,-0.7 1,-0.1 -1,-0.1 -0.364 39.6-124.8 -54.4 136.6 68.7 74.2 6.1 5 2 A L - 0 0 83 1,-0.2 3,-0.2 -3,-0.1 489,-0.1 -0.795 24.5-173.6 -88.2 119.2 65.7 76.5 5.2 6 3 A F S S+ 0 0 3 -2,-0.7 2,-2.0 487,-0.6 5,-0.2 0.960 77.6 56.4 -73.4 -54.9 63.8 75.0 2.3 7 4 A a S S+ 0 0 28 486,-0.1 -1,-0.2 358,-0.1 2,-0.2 -0.537 83.7 142.2 -83.2 81.5 61.4 77.8 1.7 8 5 A D >> - 0 0 48 -2,-2.0 3,-0.8 -3,-0.2 4,-0.6 -0.491 68.6 -88.7-113.8 177.4 64.0 80.5 1.2 9 6 A D H >> S+ 0 0 132 1,-0.2 4,-0.9 2,-0.2 3,-0.9 0.861 119.2 65.3 -58.3 -33.1 64.3 83.6 -1.0 10 7 A S H >> S+ 0 0 48 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.846 90.2 65.2 -58.9 -35.9 66.0 81.5 -3.8 11 8 A K H X> S+ 0 0 2 -3,-0.8 4,-1.1 1,-0.2 3,-0.5 0.888 96.6 56.2 -60.1 -32.8 62.8 79.5 -4.3 12 9 A K H < S+ 0 0 82 -4,-1.1 3,-2.0 1,-0.3 4,-0.3 0.799 95.4 70.6 -69.8 -26.6 59.3 80.8 -10.3 16 13 A E T 3< S+ 0 0 123 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.549 73.8 84.9 -63.8 -9.7 60.5 84.0 -12.2 17 14 A Q T < S- 0 0 86 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.709 91.3-146.6 -59.0 -21.0 61.7 81.5 -14.9 18 15 A N < - 0 0 131 -3,-2.0 -2,-0.1 1,-0.2 -3,-0.1 0.920 14.7-150.4 53.6 55.4 58.0 81.9 -16.0 19 16 A I - 0 0 9 -4,-0.3 2,-0.5 31,-0.2 -1,-0.2 -0.317 13.5-165.2 -62.0 131.7 57.7 78.4 -17.3 20 17 A N > - 0 0 59 1,-0.1 4,-2.3 31,-0.0 5,-0.1 -0.979 7.1-157.0-117.0 112.0 55.3 77.9 -20.2 21 18 A L H > S+ 0 0 0 -2,-0.5 4,-2.4 1,-0.2 5,-0.3 0.915 90.9 50.7 -58.9 -46.6 54.4 74.2 -20.6 22 19 A K H > S+ 0 0 91 404,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.934 112.5 47.7 -57.4 -43.1 53.4 74.4 -24.3 23 20 A N H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.905 110.5 52.3 -66.9 -39.9 56.6 76.3 -25.2 24 21 A E H X S+ 0 0 24 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.915 111.3 44.9 -63.1 -46.7 58.7 73.8 -23.3 25 22 A F H < S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.6 50.6 -65.6 -35.0 57.2 70.8 -25.1 26 23 A D H < S+ 0 0 112 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.863 120.1 34.0 -65.4 -41.2 57.5 72.6 -28.4 27 24 A K H < S+ 0 0 152 -4,-2.3 2,-0.7 1,-0.2 -2,-0.2 0.682 113.0 59.8 -86.7 -30.8 61.2 73.5 -27.9 28 25 A D >< - 0 0 21 -4,-2.0 3,-1.8 -5,-0.2 4,-0.2 -0.834 50.9-179.2-115.0 95.9 62.5 70.5 -26.0 29 26 A D T 3 S+ 0 0 140 -2,-0.7 4,-0.2 1,-0.3 3,-0.1 0.576 87.4 55.1 -75.7 0.1 62.2 67.2 -27.7 30 27 A K T 3> S+ 0 0 114 1,-0.1 4,-2.7 2,-0.1 -1,-0.3 0.190 73.4 111.0-106.5 10.7 63.8 65.5 -24.6 31 28 A R H <> S+ 0 0 2 -3,-1.8 4,-2.1 1,-0.2 -2,-0.1 0.908 79.7 42.9 -57.5 -45.7 61.3 66.9 -22.2 32 29 A V H 4 S+ 0 0 58 -4,-0.2 -1,-0.2 2,-0.2 14,-0.2 0.936 114.2 50.9 -66.8 -46.1 59.6 63.6 -21.4 33 30 A E H >4 S+ 0 0 161 1,-0.2 3,-0.7 -4,-0.2 -2,-0.2 0.909 114.4 45.3 -56.3 -42.7 62.9 61.7 -21.1 34 31 A K H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.900 119.3 39.6 -67.5 -39.6 64.2 64.3 -18.7 35 32 A F T 3< S+ 0 0 2 -4,-2.1 11,-1.8 -5,-0.2 12,-0.5 -0.217 101.9 75.1-117.4 45.6 61.1 64.5 -16.5 36 33 A S E < -A 45 0A 23 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.981 51.5-170.6-147.7 157.2 59.9 61.0 -16.2 37 34 A L E -A 44 0A 25 7,-2.1 7,-3.3 -2,-0.3 2,-0.4 -0.959 10.5-144.6-143.6 157.4 61.1 57.9 -14.2 38 35 A K E -A 43 0A 165 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.985 10.6-176.6-124.5 138.0 60.2 54.2 -14.1 39 36 A H E > -A 42 0A 20 3,-2.6 3,-2.5 -2,-0.4 2,-0.1 -0.916 68.9 -61.4-129.7 106.0 60.1 51.8 -11.1 40 37 A Q T 3 S- 0 0 108 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.382 122.4 -13.4 57.5-122.3 59.4 48.3 -12.3 41 38 A N T 3 S+ 0 0 111 -2,-0.1 428,-1.0 -3,-0.1 2,-0.5 0.149 116.1 98.5 -99.3 21.4 56.0 48.6 -13.9 42 39 A I E < -AB 39 468A 9 -3,-2.5 -3,-2.6 426,-0.2 2,-0.5 -0.914 56.9-159.5-103.0 128.5 55.1 52.1 -12.5 43 40 A Y E -AB 38 467A 75 424,-2.8 424,-2.9 -2,-0.5 2,-0.7 -0.969 1.6-161.2-109.3 123.8 55.7 55.0 -14.9 44 41 A F E -AB 37 466A 1 -7,-3.3 -7,-2.1 -2,-0.5 2,-0.8 -0.903 7.3-174.0-110.1 103.5 56.1 58.4 -13.2 45 42 A D E +AB 36 465A 22 420,-2.9 420,-2.4 -2,-0.7 3,-0.2 -0.857 19.6 157.0-105.6 103.7 55.5 61.3 -15.6 46 43 A Y > + 0 0 3 -11,-1.8 3,-1.6 -2,-0.8 -10,-0.2 0.208 41.0 111.0-107.0 19.5 56.2 64.7 -14.1 47 44 A S T 3 + 0 0 2 -12,-0.5 4,-0.2 1,-0.3 -1,-0.1 0.704 67.8 63.0 -71.9 -19.5 56.9 66.5 -17.3 48 45 A K T 3 S+ 0 0 28 415,-0.4 415,-0.9 -3,-0.2 -1,-0.3 0.208 82.7 110.3 -87.7 14.0 53.6 68.6 -17.2 49 46 A N S < S- 0 0 3 -3,-1.6 2,-2.4 413,-0.2 412,-0.0 -0.608 87.2-102.5 -85.0 157.5 55.0 70.3 -14.0 50 47 A L S S+ 0 0 4 -2,-0.2 2,-0.3 264,-0.1 -31,-0.2 -0.416 84.7 107.1 -78.6 64.5 56.1 74.0 -14.0 51 48 A I - 0 0 0 -2,-2.4 2,-0.3 -4,-0.2 -31,-0.0 -0.897 43.5-173.4-134.8 161.2 59.8 73.1 -14.1 52 49 A N > - 0 0 22 -2,-0.3 4,-2.5 -33,-0.1 5,-0.3 -0.792 54.0 -79.1-137.4-175.8 62.8 73.2 -16.4 53 50 A D H > S+ 0 0 82 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.905 128.7 50.5 -54.1 -42.7 66.3 71.9 -16.0 54 51 A Y H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 111.4 46.2 -66.5 -43.8 67.4 74.9 -13.9 55 52 A I H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.940 114.8 47.1 -63.6 -46.8 64.5 74.7 -11.5 56 53 A L H X S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.915 111.7 51.0 -63.6 -43.9 64.8 70.9 -11.0 57 54 A K H X S+ 0 0 130 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.907 110.6 49.7 -55.8 -44.9 68.6 71.2 -10.5 58 55 A S H X S+ 0 0 18 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.920 112.3 46.9 -62.8 -46.6 68.0 73.9 -7.9 59 56 A L H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.913 111.5 50.3 -62.5 -45.1 65.4 71.8 -6.0 60 57 A L H X S+ 0 0 22 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.863 106.4 56.7 -61.6 -37.1 67.6 68.7 -6.1 61 58 A E H X S+ 0 0 82 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.897 104.7 52.5 -61.5 -39.7 70.5 70.8 -4.7 62 59 A S H X S+ 0 0 12 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.920 110.0 48.0 -60.1 -44.2 68.3 71.8 -1.8 63 60 A A H < S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 5,-0.4 0.928 112.4 49.1 -60.6 -45.3 67.6 68.1 -1.2 64 61 A E H < S+ 0 0 113 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.848 112.2 48.0 -63.7 -33.7 71.3 67.3 -1.4 65 62 A K H < S+ 0 0 157 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.665 102.4 82.5 -79.8 -16.9 72.2 70.1 1.0 66 63 A S S < S- 0 0 17 -4,-1.2 3,-0.4 -3,-0.5 4,-0.2 -0.105 97.0-100.7 -79.9-179.7 69.6 69.0 3.5 67 64 A S S > S+ 0 0 38 425,-0.2 4,-2.7 1,-0.2 3,-0.2 0.346 89.8 109.8 -78.9 5.5 69.7 66.3 6.2 68 65 A L H > S+ 0 0 0 -5,-0.4 4,-2.6 1,-0.2 5,-0.2 0.868 71.2 51.5 -57.7 -47.1 67.7 64.0 3.9 69 66 A K H > S+ 0 0 121 -3,-0.4 4,-1.6 -6,-0.4 -1,-0.2 0.941 116.1 42.8 -55.4 -46.2 70.5 61.5 3.1 70 67 A D H > S+ 0 0 83 -3,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.908 112.6 53.5 -64.8 -42.7 71.3 61.0 6.8 71 68 A K H X S+ 0 0 55 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.867 104.3 54.5 -66.0 -36.7 67.6 60.9 7.7 72 69 A I H X S+ 0 0 8 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.955 111.8 45.1 -59.9 -46.6 66.8 58.1 5.3 73 70 A K H X S+ 0 0 121 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.925 112.5 51.8 -60.5 -44.9 69.6 56.0 6.8 74 71 A Q H X>S+ 0 0 76 -4,-2.6 5,-2.3 1,-0.2 4,-0.5 0.897 108.2 51.6 -62.4 -42.3 68.4 56.9 10.3 75 72 A X H ><5S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 14,-0.3 0.976 114.3 41.8 -56.3 -57.7 64.8 55.8 9.5 76 73 A F H 3<5S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.822 112.6 54.2 -65.9 -30.3 65.7 52.4 8.2 77 74 A N H 3<5S- 0 0 117 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.419 116.5-107.6 -85.2 -0.7 68.3 51.7 10.9 78 75 A G T <<5 + 0 0 7 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.677 57.9 162.2 85.5 17.5 65.8 52.3 13.7 79 76 A A < - 0 0 38 -5,-2.3 2,-2.3 -6,-0.2 10,-0.5 -0.333 54.5-104.0 -65.5 153.3 67.1 55.7 15.0 80 77 A K + 0 0 95 1,-0.2 8,-0.3 8,-0.2 6,-0.2 -0.391 59.8 154.4 -83.4 66.2 64.6 57.5 17.2 81 78 A I + 0 0 23 -2,-2.3 2,-1.6 -7,-0.2 -1,-0.2 0.654 56.5 81.8 -74.2 -14.0 63.6 60.0 14.5 82 79 A N B >> +F 87 0B 6 5,-2.2 5,-2.2 -3,-0.2 4,-0.8 -0.721 69.5 175.6 -82.7 83.8 60.2 60.5 16.2 83 80 A S T 45 + 0 0 37 -2,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.671 63.0 54.9 -81.2 -18.2 61.9 62.8 18.5 84 81 A T T 45S+ 0 0 55 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.823 120.3 32.4 -82.0 -27.4 59.1 64.1 20.6 85 82 A E T 45S- 0 0 40 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.413 106.7-125.7-100.9 -5.7 57.9 60.6 21.6 86 83 A H T <5 + 0 0 137 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.944 63.3 138.1 56.1 52.7 61.5 59.2 21.6 87 84 A R B < -F 82 0B 90 -5,-2.2 -5,-2.2 -7,-0.2 -1,-0.2 -0.950 55.7-118.9-128.8 149.0 60.5 56.4 19.2 88 85 A A - 0 0 7 -2,-0.3 2,-0.4 -8,-0.3 -8,-0.2 -0.314 21.4-136.9 -72.6 165.8 61.8 54.7 16.1 89 86 A V + 0 0 5 -10,-0.5 -11,-0.2 -14,-0.3 3,-0.2 -0.885 40.0 153.3-133.0 92.3 59.8 54.9 12.8 90 87 A L >> + 0 0 0 170,-2.6 3,-0.9 -2,-0.4 4,-0.8 -0.045 22.0 125.5-129.3 34.2 59.9 51.4 11.4 91 88 A H G >4 S+ 0 0 0 169,-0.3 3,-0.9 1,-0.2 4,-0.5 0.872 78.4 64.6 -56.6 -32.2 56.9 50.8 9.2 92 89 A T G >4 S+ 0 0 5 1,-0.2 3,-1.5 -3,-0.2 4,-0.3 0.876 93.2 59.4 -54.5 -39.3 59.5 49.9 6.6 93 90 A A G X4 S+ 0 0 2 -3,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.804 90.7 70.7 -64.9 -25.7 60.6 46.9 8.7 94 91 A L G << S+ 0 0 5 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.769 110.5 30.8 -59.3 -28.8 57.0 45.5 8.5 95 92 A R G < S+ 0 0 4 -3,-1.5 -1,-0.2 -4,-0.5 197,-0.2 0.185 87.6 146.6-117.0 14.9 57.6 44.7 4.8 96 93 A D < + 0 0 34 -3,-1.1 -3,-0.1 -4,-0.3 193,-0.1 -0.238 18.9 167.2 -60.6 136.5 61.3 44.0 4.8 97 94 A L + 0 0 95 192,-0.1 -1,-0.1 195,-0.1 -4,-0.0 0.336 64.0 82.3-119.7 -2.9 62.7 41.4 2.4 98 95 A S S S- 0 0 48 1,-0.1 -2,-0.1 2,-0.1 -1,-0.0 0.798 75.3-154.4 -71.8 -33.0 66.4 42.3 2.7 99 96 A S + 0 0 96 1,-0.2 3,-0.1 11,-0.0 -1,-0.1 0.635 34.9 156.6 63.2 21.0 66.9 40.3 6.0 100 97 A T - 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0 0 49 -5,-2.0 -1,-0.4 1,-0.1 2,-0.1 -0.524 51.8-124.3 -74.3 148.4 27.0 82.4 -33.9 444 441 A N > - 0 0 86 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.358 32.4 -94.8 -81.6 173.6 27.3 85.9 -35.3 445 442 A E H > S+ 0 0 133 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 123.9 49.9 -59.2 -43.4 30.1 88.3 -34.3 446 443 A T H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.930 114.3 45.1 -61.5 -46.0 28.1 90.0 -31.6 447 444 A Q H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.900 114.3 48.3 -64.4 -43.3 27.1 86.7 -30.0 448 445 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.899 110.7 51.2 -66.6 -43.0 30.6 85.2 -30.2 449 446 A K H < S+ 0 0 136 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.855 110.6 49.6 -60.4 -36.8 32.2 88.4 -28.7 450 447 A E H < S+ 0 0 142 -4,-1.8 4,-0.2 -5,-0.2 -2,-0.2 0.845 121.3 33.2 -72.3 -34.9 29.7 88.2 -25.8 451 448 A L H >X S+ 0 0 64 -4,-1.7 3,-1.3 -5,-0.1 4,-0.6 0.804 96.4 79.7 -90.4 -35.0 30.3 84.5 -25.0 452 449 A A H >X S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 4,-0.7 0.819 88.2 56.3 -54.7 -45.0 34.0 83.9 -25.9 453 450 A A H >4 S+ 0 0 64 -4,-0.5 3,-0.8 1,-0.3 -1,-0.3 0.857 103.0 57.4 -57.9 -28.2 35.6 85.3 -22.7 454 451 A H H <4 S+ 0 0 134 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.688 107.3 47.5 -75.3 -17.8 33.4 82.9 -20.6 455 452 A K H << S+ 0 0 76 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.464 81.5 119.3 -99.5 -5.7 34.9 79.9 -22.4 456 453 A V << - 0 0 44 -3,-0.8 -26,-0.2 -4,-0.7 -25,-0.1 -0.414 46.4-162.9 -65.9 134.9 38.5 80.9 -22.1 457 454 A I B -N 429 0G 40 -28,-2.3 -28,-2.1 1,-0.1 -69,-0.1 -0.984 10.2-149.6-119.5 114.7 40.6 78.3 -20.2 458 455 A P - 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.886 29.0-178.9 -60.9 -37.8 43.9 79.8 -19.0 459 456 A G + 0 0 8 -72,-0.5 -33,-0.2 1,-0.1 -32,-0.2 -0.221 44.2 109.9 69.4-165.4 45.9 76.6 -19.1 460 457 A N + 0 0 50 -34,-2.1 -34,-0.2 1,-0.2 -1,-0.1 0.800 52.7 144.8 60.8 29.4 49.5 76.3 -18.1 461 458 A R - 0 0 49 -36,-2.7 -1,-0.2 -37,-0.1 2,-0.1 -0.846 45.6-119.9-102.6 134.6 48.4 74.4 -15.0 462 459 A P + 0 0 3 0, 0.0 -67,-0.6 0, 0.0 2,-0.3 -0.315 33.1 166.2 -79.4 155.6 50.6 71.6 -13.7 463 460 A S E - e 0 395A 1 -415,-0.9 -415,-0.4 -69,-0.1 2,-0.4 -0.981 23.6-147.7-156.8 160.4 50.1 67.9 -13.3 464 461 A T E - e 0 396A 4 -69,-2.1 -67,-2.8 -2,-0.3 2,-0.5 -0.952 14.5-154.5-118.5 139.0 51.8 64.6 -12.6 465 462 A T E -Be 45 397A 11 -420,-2.4 -420,-2.9 -2,-0.4 2,-0.6 -0.992 4.0-166.1-118.1 123.6 50.6 61.3 -14.0 466 463 A I E -Be 44 398A 0 -69,-3.0 -67,-2.8 -2,-0.5 2,-0.5 -0.964 11.6-165.2-104.9 115.3 51.4 58.1 -12.2 467 464 A L E -Be 43 399A 44 -424,-2.9 -424,-2.8 -2,-0.6 2,-0.3 -0.925 4.9-168.6-109.4 119.6 50.7 55.1 -14.5 468 465 A L E -Be 42 400A 1 -69,-2.7 -67,-3.2 -2,-0.5 -66,-0.2 -0.780 25.2-134.3 -97.1 148.6 50.5 51.5 -13.1 469 466 A D S S- 0 0 56 -428,-1.0 -67,-1.6 -2,-0.3 2,-0.3 0.889 85.8 -19.1 -65.7 -39.8 50.4 48.5 -15.4 470 467 A E - 0 0 79 -69,-0.2 2,-0.8 -429,-0.1 -1,-0.2 -0.941 67.6-105.8-157.1 167.1 47.6 47.0 -13.3 471 468 A L + 0 0 1 -69,-0.5 -71,-0.0 -2,-0.3 3,-0.0 -0.862 60.0 146.4-106.2 86.9 46.1 47.4 -9.8 472 469 A S > - 0 0 12 -2,-0.8 4,-2.6 1,-0.1 5,-0.3 -0.691 66.5 -95.0-112.4 169.7 47.3 44.3 -8.0 473 470 A P H > S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.948 126.5 46.6 -51.5 -46.2 48.3 43.6 -4.4 474 471 A Y H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.928 113.3 45.8 -64.2 -48.4 51.9 44.3 -5.4 475 472 A S H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.868 111.8 52.1 -68.0 -33.7 51.3 47.4 -7.4 476 473 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.903 108.3 52.0 -65.7 -42.3 49.0 48.9 -4.7 477 474 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.933 110.5 48.0 -60.0 -41.6 51.7 48.3 -2.1 478 475 A A H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.925 111.1 51.7 -61.0 -47.5 54.2 50.1 -4.2 479 476 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.918 110.4 46.4 -56.8 -48.9 51.8 53.0 -4.8 480 477 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.935 110.8 53.5 -61.7 -45.0 51.1 53.5 -1.1 481 478 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.856 101.2 60.1 -60.3 -36.1 54.8 53.4 -0.2 482 479 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.941 109.9 42.5 -56.3 -46.4 55.6 56.1 -2.8 483 480 A Y H X S+ 0 0 7 -4,-1.4 4,-2.3 -3,-0.3 -2,-0.2 0.879 108.9 58.2 -70.4 -36.6 53.3 58.5 -0.9 484 481 A E H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.927 112.3 41.5 -54.9 -46.0 54.6 57.3 2.5 485 482 A H H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.863 108.9 57.5 -75.1 -35.2 58.1 58.3 1.5 486 483 A K H X S+ 0 0 5 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.942 108.5 48.9 -51.0 -47.7 57.0 61.6 -0.2 487 484 A I H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.903 110.3 50.9 -63.1 -42.8 55.5 62.6 3.1 488 485 A F H X S+ 0 0 4 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.934 110.0 49.5 -58.4 -50.6 58.7 61.7 5.0 489 486 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.922 109.9 51.0 -59.0 -46.0 60.8 63.8 2.5 490 487 A Q H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.914 109.8 49.7 -59.4 -43.2 58.6 66.8 2.9 491 488 A G H X>S+ 0 0 1 -4,-2.1 5,-2.2 2,-0.2 4,-0.5 0.909 110.8 50.2 -63.3 -38.0 58.7 66.6 6.7 492 489 A V H ><5S+ 0 0 16 -4,-2.3 3,-1.3 1,-0.2 -425,-0.2 0.941 110.4 49.1 -62.6 -48.0 62.6 66.4 6.6 493 490 A L H 3<5S+ 0 0 3 -4,-2.7 -487,-0.6 1,-0.3 -1,-0.2 0.869 114.5 46.0 -63.3 -33.6 62.8 69.4 4.3 494 491 A W H 3<5S- 0 0 5 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.457 108.8-126.1 -86.6 -0.6 60.5 71.4 6.6 495 492 A D T <<5 + 0 0 21 -3,-1.3 -138,-2.1 -4,-0.5 -137,-0.2 0.824 65.1 130.6 58.3 36.7 62.4 70.3 9.7 496 493 A I < - 0 0 9 -5,-2.2 2,-0.8 -140,-0.3 -1,-0.2 -0.670 67.0-106.8-109.9 169.2 59.2 69.0 11.4 497 494 A N > - 0 0 9 -142,-0.4 3,-0.6 -2,-0.2 -415,-0.1 -0.851 29.6-175.4 -97.5 106.1 58.4 65.7 13.1 498 495 A S T 3 S+ 0 0 4 -2,-0.8 -1,-0.1 1,-0.2 -146,-0.1 0.507 74.5 63.1 -74.2 -6.6 56.1 63.8 10.7 499 496 A Y T 3 S+ 0 0 17 -418,-0.2 -1,-0.2 -412,-0.1 2,-0.2 0.458 86.9 70.7-113.2 -0.4 55.5 61.0 13.3 500 497 A D < - 0 0 12 -3,-0.6 -417,-0.0 -150,-0.2 3,-0.0 -0.467 51.5-166.3-102.1 175.5 53.8 62.6 16.3 501 498 A Q > + 0 0 54 -2,-0.2 3,-1.1 -148,-0.0 4,-0.2 -0.255 25.6 151.6-160.9 60.3 50.2 63.9 16.5 502 499 A W G > + 0 0 115 1,-0.2 3,-1.3 2,-0.1 4,-0.4 0.704 60.4 78.5 -69.7 -18.8 49.8 65.9 19.7 503 500 A G G 3 S+ 0 0 74 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.656 85.6 59.7 -67.5 -19.3 47.1 68.1 18.2 504 501 A V G <> S+ 0 0 63 -3,-1.1 4,-1.0 1,-0.2 -1,-0.3 0.594 85.4 78.6 -86.0 -12.9 44.4 65.5 18.8 505 502 A E H <> S+ 0 0 115 -3,-1.3 4,-1.9 -4,-0.2 3,-0.3 0.888 85.3 58.4 -65.1 -41.4 44.8 65.3 22.6 506 503 A L H > S+ 0 0 99 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.938 103.4 51.1 -60.8 -47.1 42.9 68.5 23.5 507 504 A G H > S+ 0 0 50 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.842 107.2 54.3 -61.7 -29.5 39.6 67.4 21.8 508 505 A K H X S+ 0 0 133 -4,-1.0 4,-1.5 -3,-0.3 -1,-0.2 0.918 111.4 45.5 -67.9 -43.5 39.7 64.1 23.7 509 506 A K H X S+ 0 0 125 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.940 114.0 47.6 -63.4 -47.3 40.0 65.9 27.0 510 507 A L H X S+ 0 0 78 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.857 106.6 58.6 -66.3 -31.5 37.3 68.4 26.2 511 508 A G H X S+ 0 0 30 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.882 104.9 49.9 -63.7 -41.2 35.0 65.7 25.0 512 509 A K H X S+ 0 0 141 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.918 111.7 49.0 -61.7 -40.8 35.2 64.0 28.5 513 510 A N H X S+ 0 0 59 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.913 111.2 48.8 -67.1 -41.8 34.4 67.3 30.1 514 511 A I H X S+ 0 0 52 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.905 107.4 55.2 -67.9 -35.6 31.4 67.9 27.8 515 512 A L H X S+ 0 0 78 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.928 109.0 48.4 -60.7 -44.1 30.1 64.4 28.4 516 513 A K H >X S+ 0 0 106 -4,-1.9 4,-0.9 1,-0.2 3,-0.6 0.922 111.6 49.5 -60.6 -45.1 30.1 65.2 32.2 517 514 A A H >< S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.870 106.2 55.7 -63.0 -40.0 28.3 68.5 31.5 518 515 A X H 3< S+ 0 0 64 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.742 113.1 43.1 -61.5 -23.7 25.7 66.8 29.4 519 516 A N H << S+ 0 0 134 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.571 125.1 26.6-101.1 -6.9 24.9 64.5 32.3 520 517 A D X< - 0 0 76 -4,-0.9 3,-1.8 -3,-0.5 6,-0.4 -0.702 52.2-171.8-162.0 97.4 25.0 67.0 35.1 521 518 A D T 3 S+ 0 0 121 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.484 89.7 61.4 -75.8 0.6 24.2 70.7 34.8 522 519 A S T 3 S+ 0 0 91 4,-0.1 -1,-0.3 5,-0.0 -5,-0.1 0.385 84.0 110.9 -95.2 -1.2 25.3 71.4 38.4 523 520 A S S <> S- 0 0 12 -3,-1.8 4,-2.1 -7,-0.2 5,-0.2 -0.311 80.6-120.8 -76.0 159.9 28.8 70.2 37.6 524 521 A D H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.876 115.3 61.2 -60.2 -37.7 31.9 72.4 37.5 525 522 A E H > S+ 0 0 61 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.906 106.0 43.3 -56.5 -46.3 32.2 71.1 33.9 526 523 A Y H >4 S+ 0 0 48 -6,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.917 113.3 52.3 -67.0 -42.9 28.9 72.6 32.9 527 524 A Q H 3< S+ 0 0 138 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.854 108.9 51.0 -58.7 -35.8 29.6 75.9 34.8 528 525 A N H 3< S+ 0 0 129 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.530 86.0 115.6 -85.8 -8.4 33.0 76.3 33.0 529 526 A L S << S- 0 0 26 -3,-0.9 2,-0.1 -4,-0.5 -3,-0.0 -0.260 71.8-114.3 -59.5 146.4 31.6 75.9 29.5 530 527 A D > - 0 0 88 1,-0.1 4,-2.3 4,-0.0 5,-0.1 -0.477 36.1-112.5 -64.9 153.9 31.7 78.6 26.9 531 528 A D H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.737 113.3 60.4 -73.1 -21.3 28.1 79.6 26.2 532 529 A S H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.969 109.8 42.1 -64.3 -53.2 28.1 78.3 22.6 533 530 A T H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.924 115.0 52.7 -57.2 -42.6 28.9 74.7 23.8 534 531 A R H X S+ 0 0 44 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.934 110.2 45.7 -62.5 -43.0 26.4 75.2 26.7 535 532 A Q H X S+ 0 0 86 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.839 109.9 54.8 -73.9 -28.9 23.5 76.3 24.3 536 533 A L H X S+ 0 0 111 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.944 109.0 48.6 -66.4 -41.8 24.3 73.4 21.9 537 534 A I H X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.915 111.7 50.1 -61.9 -44.1 23.9 71.0 24.8 538 535 A A H X S+ 0 0 23 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.883 108.1 52.1 -60.9 -40.3 20.7 72.6 25.8 539 536 A K H < S+ 0 0 158 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.846 109.5 50.7 -65.4 -34.4 19.3 72.4 22.2 540 537 A V H >< S+ 0 0 89 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.963 113.4 44.4 -67.2 -46.7 20.1 68.7 22.1 541 538 A K H 3< S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.758 110.5 52.1 -68.9 -32.6 18.3 68.1 25.4 542 539 A N T 3< 0 0 132 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.433 360.0 360.0 -96.8 2.2 15.2 70.1 24.8 543 540 A K < 0 0 225 -3,-0.8 -3,-0.1 -4,-0.5 -4,-0.0 -0.220 360.0 360.0 -28.9 360.0 14.6 68.4 21.5